data_18978 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18978 _Entry.PDB_ID 2M3X save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18978 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.669 -0.669 18978 2 1 1 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.595 0.555 18978 3 1 1 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.253 0.137 18978 4 1 1 . 1 1 -1 -1 VAL N N -1 119.730 119.730 121.994 -2.264 18978 5 1 1 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.168 -0.128 18978 6 1 1 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.971 -0.091 18978 7 1 1 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.203 -0.093 18978 8 1 1 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.015 -0.255 18978 9 1 1 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.193 -0.323 18978 10 1 1 . 1 1 0 0 ILE N N 0 125.570 125.570 126.618 -1.048 18978 11 1 1 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.415 -0.325 18978 12 1 1 . 1 1 0 0 ILE C C 0 175.850 175.850 175.565 0.285 18978 13 1 1 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.476 0.324 18978 14 1 1 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.957 -0.487 18978 15 1 1 . 1 1 0 0 ILE H H 0 8.230 8.230 8.270 -0.040 18978 16 1 1 . 1 1 1 1 MET N N 1 125.930 125.930 124.722 1.208 18978 17 1 1 . 1 1 1 1 MET HA H 1 4.540 4.540 4.886 -0.346 18978 18 1 1 . 1 1 1 1 MET C C 1 174.830 174.830 175.281 -0.451 18978 19 1 1 . 1 1 1 1 MET CA C 1 54.790 54.790 55.588 -0.798 18978 20 1 1 . 1 1 1 1 MET CB C 1 32.640 32.640 33.442 -0.802 18978 21 1 1 . 1 1 1 1 MET H H 1 8.370 8.370 8.488 -0.118 18978 22 1 1 . 1 1 2 2 SER N N 2 116.400 116.400 118.953 -2.553 18978 23 1 1 . 1 1 2 2 SER HA H 2 5.030 5.030 5.012 0.018 18978 24 1 1 . 1 1 2 2 SER C C 2 174.330 174.330 172.733 1.597 18978 25 1 1 . 1 1 2 2 SER CA C 2 57.320 57.320 57.491 -0.171 18978 26 1 1 . 1 1 2 2 SER CB C 2 64.790 64.790 66.715 -1.925 18978 27 1 1 . 1 1 2 2 SER H H 2 7.990 7.990 8.515 -0.525 18978 28 1 1 . 1 1 3 3 GLU N N 3 123.670 123.670 120.924 2.746 18978 29 1 1 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.436 -0.186 18978 30 1 1 . 1 1 3 3 GLU C C 3 172.980 172.980 173.873 -0.893 18978 31 1 1 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.508 -0.117 18978 32 1 1 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.272 -0.362 18978 33 1 1 . 1 1 3 3 GLU H H 3 9.430 9.430 8.582 0.848 18978 34 1 1 . 1 1 4 4 LEU N N 4 125.350 125.350 126.027 -0.677 18978 35 1 1 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.931 -0.061 18978 36 1 1 . 1 1 4 4 LEU C C 4 174.000 174.000 174.547 -0.547 18978 37 1 1 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.825 -0.805 18978 38 1 1 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.722 0.318 18978 39 1 1 . 1 1 4 4 LEU H H 4 8.930 8.930 8.549 0.381 18978 40 1 1 . 1 1 5 5 LYS N N 5 124.640 124.640 126.672 -2.032 18978 41 1 1 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.077 0.283 18978 42 1 1 . 1 1 5 5 LYS C C 5 175.660 175.660 175.391 0.269 18978 43 1 1 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.064 -0.124 18978 44 1 1 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.073 0.207 18978 45 1 1 . 1 1 5 5 LYS H H 5 8.840 8.840 8.419 0.421 18978 46 1 1 . 1 1 6 6 LEU N N 6 123.460 123.460 124.791 -1.331 18978 47 1 1 . 1 1 6 6 LEU HA H 6 5.430 5.430 4.994 0.436 18978 48 1 1 . 1 1 6 6 LEU C C 6 174.630 174.630 175.174 -0.544 18978 49 1 1 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.481 -0.581 18978 50 1 1 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.679 1.231 18978 51 1 1 . 1 1 6 6 LEU H H 6 8.820 8.820 8.333 0.487 18978 52 1 1 . 1 1 7 7 LYS N N 7 122.230 122.230 121.582 0.648 18978 53 1 1 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.068 0.422 18978 54 1 1 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.765 -0.495 18978 55 1 1 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.022 0.478 18978 56 1 1 . 1 1 7 7 LYS H H 7 9.110 9.110 8.503 0.607 18978 57 1 1 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.386 -0.286 18978 58 1 1 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.528 -0.088 18978 59 1 1 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.470 -1.830 18978 60 1 1 . 1 1 9 9 LEU N N 9 123.250 123.250 122.545 0.705 18978 61 1 1 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.358 -0.038 18978 62 1 1 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.630 1.050 18978 63 1 1 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.191 -1.431 18978 64 1 1 . 1 1 9 9 LEU H H 9 8.490 8.490 7.912 0.578 18978 65 1 1 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.432 0.098 18978 66 1 1 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.094 0.786 18978 67 1 1 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.084 -0.664 18978 68 1 1 . 1 1 11 11 LYS N N 11 119.160 119.160 120.482 -1.322 18978 69 1 1 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.347 -0.237 18978 70 1 1 . 1 1 11 11 LYS C C 11 175.680 175.680 176.051 -0.371 18978 71 1 1 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.073 0.137 18978 72 1 1 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.496 -1.836 18978 73 1 1 . 1 1 11 11 LYS H H 11 8.180 8.180 8.299 -0.119 18978 74 1 1 . 1 1 12 12 VAL N N 12 121.820 121.820 122.575 -0.755 18978 75 1 1 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.302 -0.022 18978 76 1 1 . 1 1 12 12 VAL C C 12 173.690 173.690 174.868 -1.178 18978 77 1 1 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.942 -1.112 18978 78 1 1 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.538 0.012 18978 79 1 1 . 1 1 12 12 VAL H H 12 7.530 7.530 8.385 -0.855 18978 80 1 1 . 1 1 13 13 GLU N N 13 125.610 125.610 124.479 1.131 18978 81 1 1 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.396 -0.066 18978 82 1 1 . 1 1 13 13 GLU C C 13 175.390 175.390 175.401 -0.011 18978 83 1 1 . 1 1 13 13 GLU CA C 13 55.220 55.220 56.220 -1.000 18978 84 1 1 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.177 -0.207 18978 85 1 1 . 1 1 13 13 GLU H H 13 8.270 8.270 8.519 -0.249 18978 86 1 1 . 1 1 14 14 LEU N N 14 125.880 125.880 127.466 -1.586 18978 87 1 1 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.473 0.047 18978 88 1 1 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.085 -0.425 18978 89 1 1 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.991 -0.241 18978 90 1 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.321 0.159 18978 91 1 1 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.666 0.094 18978 92 1 1 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.799 -0.469 18978 93 1 1 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.438 -0.378 18978 94 1 1 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.240 0.150 18978 95 1 1 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.126 -0.576 18978 96 1 1 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.779 -0.009 18978 97 1 1 . 1 1 17 17 ASP N N 17 115.820 115.820 115.982 -0.162 18978 98 1 1 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.745 -0.125 18978 99 1 1 . 1 1 17 17 ASP C C 17 177.100 177.100 177.143 -0.043 18978 100 1 1 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.265 -0.375 18978 101 1 1 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.956 0.163 18978 102 1 1 . 1 1 17 17 ASP H H 17 8.560 8.560 8.796 -0.236 18978 103 1 1 . 1 1 18 18 PHE N N 18 119.610 119.610 121.887 -2.277 18978 104 1 1 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.137 0.043 18978 105 1 1 . 1 1 18 18 PHE C C 18 176.740 176.740 176.638 0.102 18978 106 1 1 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.717 -0.696 18978 107 1 1 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.457 -0.227 18978 108 1 1 . 1 1 18 18 PHE H H 18 7.940 7.940 7.796 0.144 18978 109 1 1 . 1 1 19 19 VAL N N 19 116.370 116.370 116.972 -0.602 18978 110 1 1 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.628 -0.278 18978 111 1 1 . 1 1 19 19 VAL C C 19 176.400 176.400 177.607 -1.207 18978 112 1 1 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.487 0.023 18978 113 1 1 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.027 -0.007 18978 114 1 1 . 1 1 19 19 VAL H H 19 8.010 8.010 7.934 0.076 18978 115 1 1 . 1 1 20 20 ASP N N 20 119.190 119.190 119.040 0.150 18978 116 1 1 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.294 0.016 18978 117 1 1 . 1 1 20 20 ASP C C 20 178.360 178.360 178.608 -0.248 18978 118 1 1 . 1 1 20 20 ASP CA C 20 57.110 57.110 56.997 0.113 18978 119 1 1 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.023 0.427 18978 120 1 1 . 1 1 20 20 ASP H H 20 7.420 7.420 8.410 -0.990 18978 121 1 1 . 1 1 21 21 VAL N N 21 119.830 119.830 120.502 -0.672 18978 122 1 1 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.581 -0.071 18978 123 1 1 . 1 1 21 21 VAL C C 21 178.100 178.100 177.763 0.337 18978 124 1 1 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.329 -0.759 18978 125 1 1 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.401 0.009 18978 126 1 1 . 1 1 21 21 VAL H H 21 7.190 7.190 7.302 -0.112 18978 127 1 1 . 1 1 22 22 ILE N N 22 118.490 118.490 119.067 -0.577 18978 128 1 1 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.436 -0.266 18978 129 1 1 . 1 1 22 22 ILE C C 22 176.660 176.660 178.103 -1.443 18978 130 1 1 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.723 1.497 18978 131 1 1 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.290 1.210 18978 132 1 1 . 1 1 22 22 ILE H H 22 7.660 7.660 7.463 0.197 18978 133 1 1 . 1 1 23 23 ARG N N 23 118.260 118.260 120.320 -2.060 18978 134 1 1 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.926 -0.546 18978 135 1 1 . 1 1 23 23 ARG C C 23 178.060 178.060 178.867 -0.807 18978 136 1 1 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.932 0.638 18978 137 1 1 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.103 -0.033 18978 138 1 1 . 1 1 23 23 ARG H H 23 7.830 7.830 7.744 0.086 18978 139 1 1 . 1 1 24 24 ILE N N 24 116.750 116.750 118.389 -1.639 18978 140 1 1 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.702 0.018 18978 141 1 1 . 1 1 24 24 ILE C C 24 179.090 179.090 177.334 1.756 18978 142 1 1 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.411 -0.351 18978 143 1 1 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.703 0.327 18978 144 1 1 . 1 1 24 24 ILE H H 24 7.350 7.350 7.602 -0.252 18978 145 1 1 . 1 1 25 25 LYS N N 25 118.700 118.700 117.859 0.841 18978 146 1 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.919 0.171 18978 147 1 1 . 1 1 25 25 LYS C C 25 178.560 178.560 178.603 -0.043 18978 148 1 1 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.722 -1.072 18978 149 1 1 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.702 -0.612 18978 150 1 1 . 1 1 25 25 LYS H H 25 7.880 7.880 7.500 0.380 18978 151 1 1 . 1 1 26 26 LEU N N 26 116.380 116.380 118.091 -1.711 18978 152 1 1 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.044 0.186 18978 153 1 1 . 1 1 26 26 LEU C C 26 175.880 175.880 177.137 -1.257 18978 154 1 1 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.986 -1.896 18978 155 1 1 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.422 0.888 18978 156 1 1 . 1 1 26 26 LEU H H 26 7.860 7.860 7.653 0.207 18978 157 1 1 . 1 1 27 27 GLN N N 27 119.210 119.210 117.365 1.845 18978 158 1 1 . 1 1 27 27 GLN HA H 27 3.530 3.530 4.034 -0.504 18978 159 1 1 . 1 1 27 27 GLN C C 27 177.480 177.480 177.359 0.121 18978 160 1 1 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.231 1.139 18978 161 1 1 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.661 -0.361 18978 162 1 1 . 1 1 27 27 GLN H H 27 7.190 7.190 7.550 -0.360 18978 163 1 1 . 1 1 28 28 GLY N N 28 113.490 113.490 113.225 0.265 18978 164 1 1 . 1 1 28 28 GLY C C 28 174.070 174.070 174.343 -0.273 18978 165 1 1 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.001 0.279 18978 166 1 1 . 1 1 28 28 GLY H H 28 8.940 8.940 8.839 0.101 18978 167 1 1 . 1 1 29 29 LYS N N 29 122.060 122.060 122.589 -0.529 18978 168 1 1 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.602 -0.202 18978 169 1 1 . 1 1 29 29 LYS C C 29 175.560 175.560 175.375 0.185 18978 170 1 1 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.371 0.289 18978 171 1 1 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.073 -1.203 18978 172 1 1 . 1 1 29 29 LYS H H 29 8.350 8.350 7.802 0.548 18978 173 1 1 . 1 1 30 30 THR N N 30 118.150 118.150 116.628 1.522 18978 174 1 1 . 1 1 30 30 THR HA H 30 5.330 5.330 5.188 0.142 18978 175 1 1 . 1 1 30 30 THR C C 30 174.860 174.860 174.454 0.406 18978 176 1 1 . 1 1 30 30 THR CA C 30 62.040 62.040 61.546 0.494 18978 177 1 1 . 1 1 30 30 THR CB C 30 69.420 69.420 70.142 -0.722 18978 178 1 1 . 1 1 30 30 THR H H 30 8.410 8.410 8.273 0.137 18978 179 1 1 . 1 1 31 31 VAL N N 31 122.510 122.510 121.123 1.387 18978 180 1 1 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.571 -0.001 18978 181 1 1 . 1 1 31 31 VAL C C 31 172.970 172.970 173.634 -0.664 18978 182 1 1 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.375 -0.925 18978 183 1 1 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.329 0.551 18978 184 1 1 . 1 1 31 31 VAL H H 31 9.140 9.140 8.959 0.181 18978 185 1 1 . 1 1 32 32 ARG N N 32 120.640 120.640 122.798 -2.158 18978 186 1 1 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.788 -0.038 18978 187 1 1 . 1 1 32 32 ARG C C 32 175.650 175.650 175.413 0.237 18978 188 1 1 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.022 -0.372 18978 189 1 1 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.231 -0.361 18978 190 1 1 . 1 1 32 32 ARG H H 32 8.420 8.420 8.912 -0.492 18978 191 1 1 . 1 1 33 33 THR N N 33 118.590 118.590 119.306 -0.716 18978 192 1 1 . 1 1 33 33 THR HA H 33 3.410 3.410 3.795 -0.385 18978 193 1 1 . 1 1 33 33 THR C C 33 175.020 175.020 175.498 -0.478 18978 194 1 1 . 1 1 33 33 THR CA C 33 65.660 65.660 65.011 0.649 18978 195 1 1 . 1 1 33 33 THR CB C 33 69.400 69.400 68.690 0.710 18978 196 1 1 . 1 1 33 33 THR H H 33 8.370 8.370 8.585 -0.215 18978 197 1 1 . 1 1 34 34 GLY N N 34 117.350 117.350 115.465 1.885 18978 198 1 1 . 1 1 34 34 GLY C C 34 174.350 174.350 174.701 -0.351 18978 199 1 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.836 0.164 18978 200 1 1 . 1 1 34 34 GLY H H 34 9.090 9.090 8.673 0.417 18978 201 1 1 . 1 1 35 35 ASP N N 35 122.240 122.240 122.619 -0.379 18978 202 1 1 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.701 -0.231 18978 203 1 1 . 1 1 35 35 ASP C C 35 174.570 174.570 175.492 -0.922 18978 204 1 1 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.566 0.005 18978 205 1 1 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.935 -0.255 18978 206 1 1 . 1 1 35 35 ASP H H 35 8.010 8.010 7.806 0.204 18978 207 1 1 . 1 1 36 36 VAL N N 36 119.860 119.860 120.141 -0.281 18978 208 1 1 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.851 0.099 18978 209 1 1 . 1 1 36 36 VAL C C 36 176.330 176.330 175.836 0.494 18978 210 1 1 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.059 0.651 18978 211 1 1 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.934 -1.034 18978 212 1 1 . 1 1 36 36 VAL H H 36 8.330 8.330 8.238 0.092 18978 213 1 1 . 1 1 37 37 ILE N N 37 124.990 124.990 127.537 -2.547 18978 214 1 1 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.506 0.124 18978 215 1 1 . 1 1 37 37 ILE C C 37 174.400 174.400 175.076 -0.676 18978 216 1 1 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.355 -1.365 18978 217 1 1 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.167 0.643 18978 218 1 1 . 1 1 37 37 ILE H H 37 9.160 9.160 8.722 0.438 18978 219 1 1 . 1 1 38 38 GLY N N 38 112.060 112.060 113.176 -1.116 18978 220 1 1 . 1 1 38 38 GLY C C 38 172.920 172.920 173.655 -0.735 18978 221 1 1 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.349 0.231 18978 222 1 1 . 1 1 38 38 GLY H H 38 8.660 8.660 8.493 0.167 18978 223 1 1 . 1 1 39 39 ILE N N 39 123.220 123.220 124.266 -1.046 18978 224 1 1 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.496 -0.126 18978 225 1 1 . 1 1 39 39 ILE C C 39 174.500 174.500 175.156 -0.656 18978 226 1 1 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.535 -0.985 18978 227 1 1 . 1 1 39 39 ILE CB C 39 41.300 41.300 42.122 -0.822 18978 228 1 1 . 1 1 39 39 ILE H H 39 8.810 8.810 8.418 0.392 18978 229 1 1 . 1 1 40 40 SER N N 40 121.430 121.430 121.902 -0.472 18978 230 1 1 . 1 1 40 40 SER HA H 40 4.830 4.830 4.979 -0.149 18978 231 1 1 . 1 1 40 40 SER C C 40 174.130 174.130 174.107 0.023 18978 232 1 1 . 1 1 40 40 SER CA C 40 57.770 57.770 57.735 0.035 18978 233 1 1 . 1 1 40 40 SER CB C 40 63.040 63.040 64.231 -1.191 18978 234 1 1 . 1 1 40 40 SER H H 40 8.540 8.540 8.616 -0.076 18978 235 1 1 . 1 1 41 41 ILE N N 41 127.060 127.060 125.806 1.254 18978 236 1 1 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.364 -0.074 18978 237 1 1 . 1 1 41 41 ILE C C 41 175.280 175.280 175.759 -0.479 18978 238 1 1 . 1 1 41 41 ILE CA C 41 60.250 60.250 61.054 -0.804 18978 239 1 1 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.304 -0.464 18978 240 1 1 . 1 1 41 41 ILE H H 41 8.930 8.930 8.590 0.340 18978 241 1 1 . 1 1 42 42 LEU N N 42 126.770 126.770 127.579 -0.809 18978 242 1 1 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.979 -0.089 18978 243 1 1 . 1 1 42 42 LEU C C 42 177.130 177.130 177.042 0.088 18978 244 1 1 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.476 0.084 18978 245 1 1 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.553 -1.183 18978 246 1 1 . 1 1 42 42 LEU H H 42 9.380 9.380 9.185 0.195 18978 247 1 1 . 1 1 43 43 GLY N N 43 103.820 103.820 102.899 0.921 18978 248 1 1 . 1 1 43 43 GLY C C 43 173.690 173.690 173.652 0.038 18978 249 1 1 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.849 0.491 18978 250 1 1 . 1 1 43 43 GLY H H 43 8.310 8.310 8.403 -0.093 18978 251 1 1 . 1 1 44 44 LYS N N 44 121.160 121.160 120.758 0.402 18978 252 1 1 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.630 -0.070 18978 253 1 1 . 1 1 44 44 LYS C C 44 174.550 174.550 174.733 -0.183 18978 254 1 1 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.511 -1.371 18978 255 1 1 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.060 -0.440 18978 256 1 1 . 1 1 44 44 LYS H H 44 7.730 7.730 7.646 0.084 18978 257 1 1 . 1 1 45 45 GLU N N 45 124.090 124.090 126.893 -2.803 18978 258 1 1 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.426 -0.146 18978 259 1 1 . 1 1 45 45 GLU C C 45 175.730 175.730 175.710 0.020 18978 260 1 1 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.446 0.284 18978 261 1 1 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.321 -0.251 18978 262 1 1 . 1 1 45 45 GLU H H 45 8.490 8.490 8.681 -0.191 18978 263 1 1 . 1 1 46 46 VAL N N 46 129.960 129.960 127.164 2.796 18978 264 1 1 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.375 -0.345 18978 265 1 1 . 1 1 46 46 VAL C C 46 174.610 174.610 173.864 0.746 18978 266 1 1 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.074 1.606 18978 267 1 1 . 1 1 46 46 VAL CB C 46 33.880 33.880 35.421 -1.541 18978 268 1 1 . 1 1 46 46 VAL H H 46 8.920 8.920 8.684 0.236 18978 269 1 1 . 1 1 47 47 LYS N N 47 124.790 124.790 127.839 -3.049 18978 270 1 1 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.930 0.190 18978 271 1 1 . 1 1 47 47 LYS C C 47 175.380 175.380 175.578 -0.198 18978 272 1 1 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.417 -0.217 18978 273 1 1 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.749 0.921 18978 274 1 1 . 1 1 47 47 LYS H H 47 7.860 7.860 8.317 -0.457 18978 275 1 1 . 1 1 48 48 PHE N N 48 118.270 118.270 123.505 -5.235 18978 276 1 1 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.850 0.110 18978 277 1 1 . 1 1 48 48 PHE C C 48 173.950 173.950 174.793 -0.843 18978 278 1 1 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.046 -1.136 18978 279 1 1 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.749 1.201 18978 280 1 1 . 1 1 48 48 PHE H H 48 9.270 9.270 8.960 0.310 18978 281 1 1 . 1 1 49 49 LYS N N 49 121.960 121.960 123.528 -1.568 18978 282 1 1 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.856 0.054 18978 283 1 1 . 1 1 49 49 LYS C C 49 176.230 176.230 175.561 0.669 18978 284 1 1 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.715 -0.805 18978 285 1 1 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.694 -0.524 18978 286 1 1 . 1 1 49 49 LYS H H 49 9.170 9.170 8.590 0.580 18978 287 1 1 . 1 1 50 50 VAL N N 50 127.140 127.140 127.745 -0.605 18978 288 1 1 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.053 0.117 18978 289 1 1 . 1 1 50 50 VAL C C 50 175.500 175.500 176.484 -0.984 18978 290 1 1 . 1 1 50 50 VAL CA C 50 61.980 61.980 62.846 -0.866 18978 291 1 1 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.315 -0.825 18978 292 1 1 . 1 1 50 50 VAL H H 50 9.400 9.400 8.365 1.035 18978 293 1 1 . 1 1 51 51 VAL N N 51 132.840 132.840 129.713 3.127 18978 294 1 1 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.894 -0.244 18978 295 1 1 . 1 1 51 51 VAL C C 51 176.440 176.440 176.211 0.229 18978 296 1 1 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.221 -0.291 18978 297 1 1 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.080 0.050 18978 298 1 1 . 1 1 51 51 VAL H H 51 8.390 8.390 8.504 -0.114 18978 299 1 1 . 1 1 52 52 GLN N N 52 114.500 114.500 115.163 -0.663 18978 300 1 1 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.556 -0.286 18978 301 1 1 . 1 1 52 52 GLN C C 52 172.290 172.290 173.403 -1.113 18978 302 1 1 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.702 0.938 18978 303 1 1 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.417 0.213 18978 304 1 1 . 1 1 52 52 GLN H H 52 7.470 7.470 7.531 -0.061 18978 305 1 1 . 1 1 53 53 ALA N N 53 131.410 131.410 127.364 4.046 18978 306 1 1 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.833 -0.003 18978 307 1 1 . 1 1 53 53 ALA C C 53 174.270 174.270 175.464 -1.194 18978 308 1 1 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.614 0.186 18978 309 1 1 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.674 -1.574 18978 310 1 1 . 1 1 53 53 ALA H H 53 8.200 8.200 8.278 -0.078 18978 311 1 1 . 1 1 54 54 TYR N N 54 124.140 124.140 124.819 -0.679 18978 312 1 1 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.968 -0.428 18978 313 1 1 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.597 -1.327 18978 314 1 1 . 1 1 54 54 TYR CB C 54 41.360 41.360 41.814 -0.454 18978 315 1 1 . 1 1 54 54 TYR H H 54 8.860 8.860 8.554 0.306 18978 316 1 1 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.364 -0.244 18978 317 1 1 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.371 1.079 18978 318 1 1 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.063 1.107 18978 319 1 1 . 1 1 56 56 SER N N 56 106.200 106.200 114.725 -8.525 18978 320 1 1 . 1 1 56 56 SER HA H 56 4.720 4.720 4.837 -0.117 18978 321 1 1 . 1 1 56 56 SER CA C 56 54.250 54.250 55.637 -1.387 18978 322 1 1 . 1 1 56 56 SER CB C 56 64.530 64.530 64.310 0.220 18978 323 1 1 . 1 1 56 56 SER H H 56 7.380 7.380 8.145 -0.765 18978 324 1 1 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.409 0.471 18978 325 1 1 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.612 0.378 18978 326 1 1 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.421 2.799 18978 327 1 1 . 1 1 58 58 LEU N N 58 120.480 120.480 123.616 -3.136 18978 328 1 1 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.691 -0.261 18978 329 1 1 . 1 1 58 58 LEU C C 58 174.570 174.570 175.252 -0.682 18978 330 1 1 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.026 -0.126 18978 331 1 1 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.426 -1.216 18978 332 1 1 . 1 1 58 58 LEU H H 58 8.960 8.960 8.302 0.658 18978 333 1 1 . 1 1 59 59 ARG N N 59 125.180 125.180 125.787 -0.607 18978 334 1 1 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.743 0.187 18978 335 1 1 . 1 1 59 59 ARG C C 59 175.460 175.460 175.234 0.226 18978 336 1 1 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.906 -0.866 18978 337 1 1 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.713 -1.163 18978 338 1 1 . 1 1 59 59 ARG H H 59 8.130 8.130 8.552 -0.422 18978 339 1 1 . 1 1 60 60 VAL N N 60 128.170 128.170 128.175 -0.005 18978 340 1 1 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.007 -0.597 18978 341 1 1 . 1 1 60 60 VAL C C 60 175.460 175.460 174.915 0.545 18978 342 1 1 . 1 1 60 60 VAL CA C 60 65.210 65.210 62.677 2.533 18978 343 1 1 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.618 -1.778 18978 344 1 1 . 1 1 60 60 VAL H H 60 8.450 8.450 8.277 0.173 18978 345 1 1 . 1 1 61 61 GLU N N 61 127.670 127.670 126.977 0.693 18978 346 1 1 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.639 0.231 18978 347 1 1 . 1 1 61 61 GLU C C 61 176.960 176.960 176.971 -0.011 18978 348 1 1 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.467 -0.137 18978 349 1 1 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.072 0.208 18978 350 1 1 . 1 1 61 61 GLU H H 61 8.620 8.620 8.097 0.523 18978 351 1 1 . 1 1 62 62 ASP N N 62 121.140 121.140 122.018 -0.878 18978 352 1 1 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.257 -0.107 18978 353 1 1 . 1 1 62 62 ASP C C 62 177.460 177.460 176.854 0.606 18978 354 1 1 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.279 0.341 18978 355 1 1 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.302 0.058 18978 356 1 1 . 1 1 62 62 ASP H H 62 8.700 8.700 8.755 -0.055 18978 357 1 1 . 1 1 63 63 ARG N N 63 112.890 112.890 117.109 -4.219 18978 358 1 1 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.262 0.018 18978 359 1 1 . 1 1 63 63 ARG C C 63 176.510 176.510 177.226 -0.716 18978 360 1 1 . 1 1 63 63 ARG CA C 63 55.450 55.450 55.973 -0.523 18978 361 1 1 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.964 0.026 18978 362 1 1 . 1 1 63 63 ARG H H 63 7.760 7.760 8.080 -0.320 18978 363 1 1 . 1 1 64 64 THR N N 64 120.650 120.650 116.935 3.715 18978 364 1 1 . 1 1 64 64 THR HA H 64 4.020 4.020 4.225 -0.205 18978 365 1 1 . 1 1 64 64 THR C C 64 173.810 173.810 174.246 -0.436 18978 366 1 1 . 1 1 64 64 THR CA C 64 64.060 64.060 64.164 -0.104 18978 367 1 1 . 1 1 64 64 THR CB C 64 69.350 69.350 69.433 -0.083 18978 368 1 1 . 1 1 64 64 THR H H 64 7.700 7.700 7.595 0.105 18978 369 1 1 . 1 1 65 65 LYS N N 65 130.950 130.950 126.728 4.222 18978 370 1 1 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.494 -0.224 18978 371 1 1 . 1 1 65 65 LYS C C 65 174.560 174.560 175.207 -0.647 18978 372 1 1 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.067 0.213 18978 373 1 1 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.681 -0.561 18978 374 1 1 . 1 1 65 65 LYS H H 65 8.520 8.520 8.304 0.216 18978 375 1 1 . 1 1 66 66 ILE N N 66 128.020 128.020 124.680 3.340 18978 376 1 1 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.799 0.051 18978 377 1 1 . 1 1 66 66 ILE C C 66 174.650 174.650 176.062 -1.412 18978 378 1 1 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.240 -0.420 18978 379 1 1 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.493 -2.213 18978 380 1 1 . 1 1 66 66 ILE H H 66 8.430 8.430 8.585 -0.155 18978 381 1 1 . 1 1 67 67 THR N N 67 123.870 123.870 123.365 0.505 18978 382 1 1 . 1 1 67 67 THR HA H 67 4.470 4.470 4.717 -0.247 18978 383 1 1 . 1 1 67 67 THR C C 67 172.760 172.760 172.990 -0.230 18978 384 1 1 . 1 1 67 67 THR CA C 67 60.740 60.740 61.371 -0.631 18978 385 1 1 . 1 1 67 67 THR CB C 67 71.320 71.320 70.908 0.412 18978 386 1 1 . 1 1 67 67 THR H H 67 8.870 8.870 8.513 0.357 18978 387 1 1 . 1 1 68 68 LEU N N 68 127.070 127.070 127.253 -0.183 18978 388 1 1 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.973 0.167 18978 389 1 1 . 1 1 68 68 LEU C C 68 176.610 176.610 176.641 -0.031 18978 390 1 1 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.116 -0.836 18978 391 1 1 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.260 -0.660 18978 392 1 1 . 1 1 68 68 LEU H H 68 8.820 8.820 8.652 0.168 18978 393 1 1 . 1 1 69 69 VAL N N 69 124.120 124.120 125.289 -1.169 18978 394 1 1 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.345 -0.085 18978 395 1 1 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.881 -0.531 18978 396 1 1 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.173 0.617 18978 397 1 1 . 1 1 69 69 VAL H H 69 8.800 8.800 8.413 0.387 18978 398 1 1 . 1 1 70 70 THR N N 70 114.500 114.500 120.631 -6.131 18978 399 1 1 . 1 1 70 70 THR HA H 70 4.410 4.410 4.201 0.209 18978 400 1 1 . 1 1 70 70 THR CA C 70 60.800 60.800 63.902 -3.102 18978 401 1 1 . 1 1 70 70 THR CB C 70 69.650 69.650 69.826 -0.176 18978 402 1 1 . 1 1 70 70 THR H H 70 8.160 8.160 8.671 -0.511 18978 403 1 1 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.356 -0.426 18978 404 1 1 . 1 1 72 72 PRO CA C 72 64.520 64.520 64.240 0.280 18978 405 1 1 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.085 2.055 18978 406 1 1 . 1 1 73 73 VAL N N 73 117.500 117.500 115.505 1.995 18978 407 1 1 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.428 0.092 18978 408 1 1 . 1 1 73 73 VAL C C 73 174.100 174.100 174.183 -0.083 18978 409 1 1 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.025 0.985 18978 410 1 1 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.813 -1.483 18978 411 1 1 . 1 1 73 73 VAL H H 73 7.410 7.410 7.331 0.079 18978 412 1 1 . 1 1 74 74 ASP N N 74 124.500 124.500 121.398 3.102 18978 413 1 1 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.813 0.097 18978 414 1 1 . 1 1 74 74 ASP C C 74 174.000 174.000 175.703 -1.703 18978 415 1 1 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.740 -0.290 18978 416 1 1 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.376 1.974 18978 417 1 1 . 1 1 74 74 ASP H H 74 8.290 8.290 8.358 -0.068 18978 418 1 1 . 1 1 75 75 VAL N N 75 122.400 122.400 124.168 -1.768 18978 419 1 1 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.270 0.420 18978 420 1 1 . 1 1 75 75 VAL C C 75 174.600 174.600 175.281 -0.681 18978 421 1 1 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.596 -0.396 18978 422 1 1 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.005 0.325 18978 423 1 1 . 1 1 75 75 VAL H H 75 7.780 7.780 8.264 -0.484 18978 424 1 1 . 1 1 76 76 LEU N N 76 130.300 130.300 127.584 2.716 18978 425 1 1 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.622 0.098 18978 426 1 1 . 1 1 76 76 LEU C C 76 174.400 174.400 176.178 -1.778 18978 427 1 1 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.329 -0.699 18978 428 1 1 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.659 1.301 18978 429 1 1 . 1 1 76 76 LEU H H 76 9.200 9.200 8.409 0.791 18978 430 1 1 . 1 1 77 77 GLU N N 77 118.600 118.600 122.227 -3.627 18978 431 1 1 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.531 0.789 18978 432 1 1 . 1 1 77 77 GLU C C 77 174.900 174.900 175.054 -0.154 18978 433 1 1 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.793 -1.703 18978 434 1 1 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.049 2.151 18978 435 1 1 . 1 1 77 77 GLU H H 77 8.010 8.010 8.504 -0.494 18978 436 1 1 . 1 1 78 78 ALA N N 78 124.500 124.500 124.558 -0.058 18978 437 1 1 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.541 0.099 18978 438 1 1 . 1 1 78 78 ALA C C 78 175.500 175.500 176.784 -1.284 18978 439 1 1 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.503 -0.823 18978 440 1 1 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.500 0.310 18978 441 1 1 . 1 1 78 78 ALA H H 78 8.800 8.800 8.205 0.595 18978 442 1 1 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.391 0.089 18978 443 1 1 . 1 1 79 79 LYS C C 79 174.700 174.700 175.608 -0.908 18978 444 1 1 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.288 -0.188 18978 445 1 1 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.773 -1.833 18978 446 1 1 . 1 1 80 80 ILE N N 80 127.300 127.300 123.630 3.670 18978 447 1 1 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.248 -0.168 18978 448 1 1 . 1 1 80 80 ILE C C 80 172.700 172.700 175.008 -2.308 18978 449 1 1 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.138 -0.198 18978 450 1 1 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.980 1.950 18978 451 1 1 . 1 1 80 80 ILE H H 80 7.380 7.380 8.474 -1.094 18978 452 1 1 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.454 -0.174 18978 453 1 1 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.132 -0.012 18978 454 1 1 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.067 -0.317 18978 455 1 1 . 1 1 82 82 GLY N N 82 113.000 113.000 113.771 -0.771 18978 456 1 1 . 1 1 82 82 GLY C C 82 174.600 174.600 174.112 0.488 18978 457 1 1 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.596 2.274 18978 458 1 1 . 1 1 82 82 GLY H H 82 8.210 8.210 8.706 -0.496 18978 459 1 1 . 1 1 83 83 ILE N N 83 121.200 121.200 118.971 2.229 18978 460 1 1 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.832 -0.492 18978 461 1 1 . 1 1 83 83 ILE C C 83 175.000 175.000 176.404 -1.404 18978 462 1 1 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.262 2.448 18978 463 1 1 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.828 -0.338 18978 464 1 1 . 1 1 83 83 ILE H H 83 8.350 8.350 8.099 0.251 18978 465 1 1 . 1 1 84 84 LYS N N 84 129.400 129.400 128.664 0.736 18978 466 1 1 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.344 0.146 18978 467 1 1 . 1 1 84 84 LYS C C 84 175.000 175.000 176.336 -1.336 18978 468 1 1 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.181 -1.111 18978 469 1 1 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.072 0.418 18978 470 1 1 . 1 1 84 84 LYS H H 84 9.160 9.160 8.633 0.527 18978 471 1 1 . 1 1 85 85 ASP N N 85 117.500 117.500 117.838 -0.338 18978 472 1 1 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.908 -0.128 18978 473 1 1 . 1 1 85 85 ASP C C 85 173.200 173.200 173.713 -0.513 18978 474 1 1 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.630 -0.540 18978 475 1 1 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.010 -0.520 18978 476 1 1 . 1 1 85 85 ASP H H 85 7.990 7.990 7.776 0.214 18978 477 1 1 . 1 1 86 86 VAL N N 86 119.400 119.400 123.454 -4.054 18978 478 1 1 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.679 0.491 18978 479 1 1 . 1 1 86 86 VAL C C 86 172.500 172.500 175.201 -2.701 18978 480 1 1 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.016 -1.266 18978 481 1 1 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.375 0.785 18978 482 1 1 . 1 1 86 86 VAL H H 86 8.210 8.210 8.401 -0.191 18978 483 1 1 . 1 1 87 87 ILE N N 87 127.100 127.100 127.633 -0.533 18978 484 1 1 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.450 -0.240 18978 485 1 1 . 1 1 87 87 ILE C C 87 173.600 173.600 174.277 -0.677 18978 486 1 1 . 1 1 87 87 ILE CA C 87 60.470 60.470 59.046 1.424 18978 487 1 1 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.057 1.433 18978 488 1 1 . 1 1 87 87 ILE H H 87 9.190 9.190 8.838 0.352 18978 489 1 1 . 1 1 88 88 LEU N N 88 125.700 125.700 128.151 -2.451 18978 490 1 1 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.731 0.309 18978 491 1 1 . 1 1 88 88 LEU C C 88 174.500 174.500 175.421 -0.921 18978 492 1 1 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.069 -1.129 18978 493 1 1 . 1 1 88 88 LEU CB C 88 43.510 43.510 45.012 -1.502 18978 494 1 1 . 1 1 88 88 LEU H H 88 7.840 7.840 8.453 -0.613 18978 495 1 1 . 1 1 89 89 ASP N N 89 127.800 127.800 124.304 3.496 18978 496 1 1 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.026 -0.256 18978 497 1 1 . 1 1 89 89 ASP C C 89 174.100 174.100 176.444 -2.344 18978 498 1 1 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.253 0.367 18978 499 1 1 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.184 -0.114 18978 500 1 1 . 1 1 89 89 ASP H H 89 8.280 8.280 8.689 -0.409 18978 501 1 1 . 1 1 90 90 GLU N N 90 122.400 122.400 123.463 -1.063 18978 502 1 1 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.023 -0.173 18978 503 1 1 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.389 -0.559 18978 504 1 1 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.760 -0.350 18978 505 1 1 . 1 1 90 90 GLU H H 90 8.980 8.980 8.686 0.294 18978 506 1 1 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.833 -0.553 18978 507 1 1 . 1 1 91 91 ASN C C 91 173.600 173.600 173.546 0.054 18978 508 1 1 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.950 1.210 18978 509 1 1 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.369 0.531 18978 510 1 1 . 1 1 92 92 LEU N N 92 117.400 117.400 118.892 -1.492 18978 511 1 1 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.742 0.288 18978 512 1 1 . 1 1 92 92 LEU C C 92 174.700 174.700 174.296 0.404 18978 513 1 1 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.554 -0.855 18978 514 1 1 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.043 0.207 18978 515 1 1 . 1 1 92 92 LEU H H 92 7.110 7.110 7.809 -0.699 18978 516 1 1 . 1 1 93 93 ILE N N 93 121.300 121.300 121.684 -0.384 18978 517 1 1 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.565 -0.115 18978 518 1 1 . 1 1 93 93 ILE C C 93 174.000 174.000 174.592 -0.592 18978 519 1 1 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.764 0.206 18978 520 1 1 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.228 0.402 18978 521 1 1 . 1 1 93 93 ILE H H 93 8.450 8.450 8.549 -0.099 18978 522 1 1 . 1 1 94 94 VAL N N 94 128.000 128.000 128.025 -0.025 18978 523 1 1 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.890 -0.050 18978 524 1 1 . 1 1 94 94 VAL C C 94 174.000 174.000 174.719 -0.719 18978 525 1 1 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.893 0.207 18978 526 1 1 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.194 -2.074 18978 527 1 1 . 1 1 94 94 VAL H H 94 8.970 8.970 8.622 0.348 18978 528 1 1 . 1 1 95 95 VAL N N 95 127.700 127.700 127.385 0.315 18978 529 1 1 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.569 0.101 18978 530 1 1 . 1 1 95 95 VAL C C 95 173.300 173.300 174.569 -1.269 18978 531 1 1 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.338 -0.498 18978 532 1 1 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.890 -0.650 18978 533 1 1 . 1 1 95 95 VAL H H 95 9.420 9.420 8.513 0.907 18978 534 1 1 . 1 1 96 96 ILE N N 96 126.000 126.000 127.965 -1.965 18978 535 1 1 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.050 0.170 18978 536 1 1 . 1 1 96 96 ILE C C 96 177.100 177.100 175.483 1.617 18978 537 1 1 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.609 -0.039 18978 538 1 1 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.779 -0.029 18978 539 1 1 . 1 1 96 96 ILE H H 96 8.460 8.460 8.779 -0.319 18978 540 1 1 . 1 1 97 97 THR N N 97 118.100 118.100 118.469 -0.369 18978 541 1 1 . 1 1 97 97 THR HA H 97 5.250 5.250 4.907 0.343 18978 542 1 1 . 1 1 97 97 THR C C 97 176.300 176.300 176.192 0.108 18978 543 1 1 . 1 1 97 97 THR CA C 97 59.650 59.650 59.521 0.129 18978 544 1 1 . 1 1 97 97 THR CB C 97 71.890 71.890 71.285 0.605 18978 545 1 1 . 1 1 97 97 THR H H 97 9.050 9.050 8.423 0.627 18978 546 1 1 . 1 1 98 98 GLU N N 98 120.100 120.100 122.148 -2.048 18978 547 1 1 . 1 1 98 98 GLU HA H 98 4.120 4.120 4.003 0.117 18978 548 1 1 . 1 1 98 98 GLU C C 98 176.200 176.200 177.865 -1.665 18978 549 1 1 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.409 -1.519 18978 550 1 1 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.485 0.045 18978 551 1 1 . 1 1 98 98 GLU H H 98 9.220 9.220 8.328 0.892 18978 552 1 1 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.307 -0.157 18978 553 1 1 . 1 1 99 99 GLU C C 99 174.200 174.200 175.691 -1.491 18978 554 1 1 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.146 2.064 18978 555 1 1 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.737 1.133 18978 556 1 1 . 1 1 100 100 ASN N N 100 113.200 113.200 114.541 -1.341 18978 557 1 1 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.410 -0.300 18978 558 1 1 . 1 1 100 100 ASN C C 100 173.700 173.700 173.511 0.189 18978 559 1 1 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.425 -0.025 18978 560 1 1 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.323 -0.463 18978 561 1 1 . 1 1 100 100 ASN H H 100 8.020 8.020 8.059 -0.039 18978 562 1 1 . 1 1 101 101 GLU N N 101 115.500 115.500 118.468 -2.968 18978 563 1 1 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.794 0.356 18978 564 1 1 . 1 1 101 101 GLU C C 101 174.900 174.900 174.683 0.217 18978 565 1 1 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.018 0.032 18978 566 1 1 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.086 -1.686 18978 567 1 1 . 1 1 101 101 GLU H H 101 7.230 7.230 7.351 -0.121 18978 568 1 1 . 1 1 102 102 VAL N N 102 122.700 122.700 125.329 -2.629 18978 569 1 1 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.507 0.413 18978 570 1 1 . 1 1 102 102 VAL C C 102 173.700 173.700 174.350 -0.650 18978 571 1 1 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.343 -0.423 18978 572 1 1 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.622 0.188 18978 573 1 1 . 1 1 102 102 VAL H H 102 8.710 8.710 8.848 -0.138 18978 574 1 1 . 1 1 103 103 LEU N N 103 127.300 127.300 128.287 -0.987 18978 575 1 1 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.979 -0.679 18978 576 1 1 . 1 1 103 103 LEU C C 103 174.500 174.500 175.490 -0.990 18978 577 1 1 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.531 0.289 18978 578 1 1 . 1 1 103 103 LEU H H 103 9.140 9.140 8.390 0.750 18978 579 1 1 . 1 1 104 104 ILE N N 104 122.200 122.200 121.982 0.218 18978 580 1 1 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.528 0.212 18978 581 1 1 . 1 1 104 104 ILE C C 104 173.600 173.600 174.633 -1.033 18978 582 1 1 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.501 -0.281 18978 583 1 1 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.525 -0.375 18978 584 1 1 . 1 1 104 104 ILE H H 104 8.470 8.470 8.114 0.356 18978 585 1 1 . 1 1 105 105 PHE N N 105 126.600 126.600 125.675 0.925 18978 586 1 1 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.650 -0.080 18978 587 1 1 . 1 1 105 105 PHE C C 105 175.800 175.800 175.307 0.493 18978 588 1 1 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.974 -0.524 18978 589 1 1 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.545 1.125 18978 590 1 1 . 1 1 105 105 PHE H H 105 9.330 9.330 9.053 0.277 18978 591 1 1 . 1 1 106 106 ASN N N 106 116.000 116.000 118.445 -2.445 18978 592 1 1 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.073 0.397 18978 593 1 1 . 1 1 106 106 ASN C C 106 176.700 176.700 177.003 -0.303 18978 594 1 1 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.112 -0.612 18978 595 1 1 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.585 -0.985 18978 596 1 1 . 1 1 106 106 ASN H H 106 7.710 7.710 8.373 -0.663 18978 597 1 1 . 1 1 107 107 GLN N N 107 114.500 114.500 119.691 -5.191 18978 598 1 1 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.041 -0.151 18978 599 1 1 . 1 1 107 107 GLN C C 107 173.700 173.700 176.109 -2.409 18978 600 1 1 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.039 -1.529 18978 601 1 1 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.412 -1.322 18978 602 1 1 . 1 1 107 107 GLN H H 107 8.040 8.040 8.807 -0.767 18978 603 1 1 . 1 1 108 108 ASN N N 108 115.800 115.800 116.113 -0.313 18978 604 1 1 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.620 0.050 18978 605 1 1 . 1 1 108 108 ASN C C 108 173.600 173.600 175.266 -1.666 18978 606 1 1 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.116 -1.026 18978 607 1 1 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.134 0.726 18978 608 1 1 . 1 1 108 108 ASN H H 108 7.440 7.440 8.300 -0.860 18978 609 1 1 . 1 1 109 109 LEU N N 109 115.200 115.200 117.476 -2.276 18978 610 1 1 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.817 -0.287 18978 611 1 1 . 1 1 109 109 LEU C C 109 174.700 174.700 175.507 -0.807 18978 612 1 1 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.374 -0.604 18978 613 1 1 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.955 -2.255 18978 614 1 1 . 1 1 109 109 LEU H H 109 8.220 8.220 7.754 0.466 18978 615 1 1 . 1 1 110 110 GLU N N 110 117.600 117.600 118.955 -1.355 18978 616 1 1 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.728 -0.308 18978 617 1 1 . 1 1 110 110 GLU C C 110 175.800 175.800 174.908 0.892 18978 618 1 1 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.849 0.331 18978 619 1 1 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.589 -3.769 18978 620 1 1 . 1 1 110 110 GLU H H 110 7.550 7.550 8.437 -0.887 18978 621 1 1 . 1 1 111 111 GLU N N 111 125.900 125.900 123.909 1.991 18978 622 1 1 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.315 -0.485 18978 623 1 1 . 1 1 111 111 GLU C C 111 175.400 175.400 176.259 -0.859 18978 624 1 1 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.134 0.506 18978 625 1 1 . 1 1 111 111 GLU CB C 111 30.620 30.620 30.018 0.602 18978 626 1 1 . 1 1 111 111 GLU H H 111 8.350 8.350 8.838 -0.488 18978 627 1 1 . 1 1 112 112 LEU N N 112 128.000 128.000 128.118 -0.118 18978 628 1 1 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.370 -0.100 18978 629 1 1 . 1 1 112 112 LEU C C 112 176.100 176.100 176.647 -0.547 18978 630 1 1 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.698 -0.668 18978 631 1 1 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.508 -0.738 18978 632 1 1 . 1 1 112 112 LEU H H 112 9.110 9.110 8.412 0.698 18978 633 1 1 . 1 1 113 113 TYR N N 113 116.300 116.300 119.170 -2.870 18978 634 1 1 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.646 -0.316 18978 635 1 1 . 1 1 113 113 TYR C C 113 171.700 171.700 173.039 -1.339 18978 636 1 1 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.136 0.824 18978 637 1 1 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.087 -0.367 18978 638 1 1 . 1 1 113 113 TYR H H 113 7.250 7.250 7.370 -0.120 18978 639 1 1 . 1 1 114 114 ARG N N 114 126.200 126.200 128.248 -2.048 18978 640 1 1 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.627 0.393 18978 641 1 1 . 1 1 114 114 ARG C C 114 173.500 173.500 174.282 -0.782 18978 642 1 1 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.726 -0.106 18978 643 1 1 . 1 1 114 114 ARG CB C 114 33.450 33.450 33.116 0.334 18978 644 1 1 . 1 1 114 114 ARG H H 114 6.560 6.560 7.995 -1.435 18978 645 1 1 . 1 1 115 115 GLY N N 115 111.300 111.300 113.627 -2.327 18978 646 1 1 . 1 1 115 115 GLY C C 115 178.100 178.100 171.555 6.545 18978 647 1 1 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.947 -0.537 18978 648 1 1 . 1 1 115 115 GLY H H 115 8.320 8.320 8.340 -0.020 18978 649 1 1 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.696 0.074 18978 650 1 1 . 1 1 116 116 LYS C C 116 174.400 174.400 174.937 -0.537 18978 651 1 1 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.202 -0.012 18978 652 1 1 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.199 0.141 18978 653 1 1 . 1 1 117 117 PHE N N 117 125.800 125.800 124.294 1.506 18978 654 1 1 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.821 -0.271 18978 655 1 1 . 1 1 117 117 PHE C C 117 174.000 174.000 176.338 -2.338 18978 656 1 1 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.752 0.098 18978 657 1 1 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.901 0.259 18978 658 1 1 . 1 1 117 117 PHE H H 117 8.090 8.090 8.593 -0.503 18978 659 1 1 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.902 -0.242 18978 660 1 1 . 1 1 119 119 ASN C C 119 173.500 173.500 174.060 -0.560 18978 661 1 1 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.284 0.196 18978 662 1 1 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.199 -0.009 18978 663 1 1 . 1 1 120 120 LEU N N 120 120.200 120.200 122.126 -1.926 18978 664 1 1 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.024 -0.194 18978 665 1 1 . 1 1 120 120 LEU C C 120 175.000 175.000 176.046 -1.046 18978 666 1 1 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.333 -0.063 18978 667 1 1 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.929 0.841 18978 668 1 1 . 1 1 120 120 LEU H H 120 6.900 6.900 7.670 -0.770 18978 669 1 1 . 1 1 121 121 ASN N N 121 124.200 124.200 124.652 -0.452 18978 670 1 1 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.898 -0.008 18978 671 1 1 . 1 1 121 121 ASN C C 121 174.300 174.300 175.259 -0.959 18978 672 1 1 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.216 -0.336 18978 673 1 1 . 1 1 121 121 ASN CB C 121 40.440 40.440 41.137 -0.697 18978 674 1 1 . 1 1 121 121 ASN H H 121 8.900 8.900 8.527 0.373 18978 675 1 1 . 1 1 122 122 LYS N N 122 115.100 115.100 120.018 -4.918 18978 676 1 1 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.612 -0.142 18978 677 1 1 . 1 1 122 122 LYS C C 122 172.500 172.500 174.291 -1.791 18978 678 1 1 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.374 0.326 18978 679 1 1 . 1 1 122 122 LYS CB C 122 35.660 35.660 35.990 -0.330 18978 680 1 1 . 1 1 122 122 LYS H H 122 7.410 7.410 7.852 -0.442 18978 681 1 1 . 1 1 123 123 VAL N N 123 121.500 121.500 122.501 -1.001 18978 682 1 1 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.368 0.452 18978 683 1 1 . 1 1 123 123 VAL C C 123 173.400 173.400 174.889 -1.489 18978 684 1 1 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.164 -0.474 18978 685 1 1 . 1 1 123 123 VAL CB C 123 34.150 34.150 32.639 1.511 18978 686 1 1 . 1 1 123 123 VAL H H 123 7.730 7.730 8.448 -0.718 18978 687 1 1 . 1 1 124 124 LEU N N 124 126.600 126.600 130.302 -3.702 18978 688 1 1 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.895 -0.175 18978 689 1 1 . 1 1 124 124 LEU C C 124 174.200 174.200 174.339 -0.139 18978 690 1 1 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.285 -0.905 18978 691 1 1 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.796 -0.686 18978 692 1 1 . 1 1 124 124 LEU H H 124 9.060 9.060 8.444 0.617 18978 693 1 1 . 1 1 125 125 VAL N N 125 120.300 120.300 124.947 -4.647 18978 694 1 1 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.560 0.110 18978 695 1 1 . 1 1 125 125 VAL C C 125 174.700 174.700 174.496 0.204 18978 696 1 1 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.316 -0.026 18978 697 1 1 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.875 0.375 18978 698 1 1 . 1 1 125 125 VAL H H 125 8.030 8.030 8.412 -0.382 18978 699 1 1 . 1 1 126 126 ARG N N 126 127.100 127.100 126.860 0.240 18978 700 1 1 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.715 -0.245 18978 701 1 1 . 1 1 126 126 ARG C C 126 174.400 174.400 175.308 -0.908 18978 702 1 1 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.968 0.862 18978 703 1 1 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.582 -2.282 18978 704 1 1 . 1 1 126 126 ARG H H 126 8.630 8.630 8.578 0.052 18978 705 1 1 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.326 -0.036 18978 706 1 1 . 1 1 127 127 ASN C C 127 172.600 172.600 174.185 -1.585 18978 707 1 1 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.251 0.810 18978 708 1 1 . 1 1 127 127 ASN CB C 127 36.950 36.950 38.000 -1.050 18978 709 1 1 . 1 1 128 128 ASP N N 128 117.600 117.600 119.684 -2.084 18978 710 1 1 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.559 -0.109 18978 711 1 1 . 1 1 128 128 ASP C C 128 174.000 174.000 175.620 -1.620 18978 712 1 1 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.521 -1.001 18978 713 1 1 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.384 -0.574 18978 714 1 1 . 1 1 128 128 ASP H H 128 8.560 8.560 8.479 0.081 18978 715 1 1 . 1 1 129 129 LEU N N 129 121.500 121.500 119.884 1.616 18978 716 1 1 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.695 0.375 18978 717 1 1 . 1 1 129 129 LEU C C 129 174.800 174.800 175.032 -0.232 18978 718 1 1 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.084 -0.284 18978 719 1 1 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.495 0.625 18978 720 1 1 . 1 1 129 129 LEU H H 129 7.730 7.730 7.620 0.110 18978 721 1 1 . 1 1 130 130 VAL N N 130 120.600 120.600 122.705 -2.105 18978 722 1 1 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.433 0.277 18978 723 1 1 . 1 1 130 130 VAL C C 130 173.500 173.500 174.261 -0.761 18978 724 1 1 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.094 -0.574 18978 725 1 1 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.234 -0.484 18978 726 1 1 . 1 1 130 130 VAL H H 130 8.410 8.410 8.226 0.184 18978 727 1 1 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.881 -0.281 18978 728 1 1 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.209 0.381 18978 729 1 1 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.970 -2.110 18978 730 1 1 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.355 -0.055 18978 731 1 1 . 1 1 132 132 ILE C C 132 174.900 174.900 174.407 0.493 18978 732 1 1 . 1 1 132 132 ILE CA C 132 60.480 60.480 58.956 1.524 18978 733 1 1 . 1 1 132 132 ILE CB C 132 40.050 40.050 39.595 0.455 18978 734 1 1 . 1 1 133 133 ILE N N 133 126.200 126.200 126.739 -0.539 18978 735 1 1 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.432 0.238 18978 736 1 1 . 1 1 133 133 ILE C C 133 174.200 174.200 174.233 -0.033 18978 737 1 1 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.702 1.228 18978 738 1 1 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.599 0.521 18978 739 1 1 . 1 1 133 133 ILE H H 133 8.490 8.490 8.606 -0.116 18978 740 1 1 . 1 1 134 134 ASP N N 134 130.100 130.100 125.603 4.497 18978 741 1 1 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.141 -0.191 18978 742 1 1 . 1 1 134 134 ASP C C 134 174.600 174.600 176.394 -1.794 18978 743 1 1 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.108 0.282 18978 744 1 1 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.845 -0.475 18978 745 1 1 . 1 1 134 134 ASP H H 134 8.360 8.360 8.077 0.283 18978 746 1 1 . 1 1 135 135 GLU N N 135 118.000 118.000 121.053 -3.053 18978 747 1 1 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.934 0.276 18978 748 1 1 . 1 1 135 135 GLU C C 135 176.200 176.200 177.245 -1.045 18978 749 1 1 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.260 -0.510 18978 750 1 1 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.766 0.524 18978 751 1 1 . 1 1 135 135 GLU H H 135 7.840 7.840 8.613 -0.773 18978 752 1 1 . 1 1 136 136 GLN N N 136 115.200 115.200 115.952 -0.752 18978 753 1 1 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.238 0.632 18978 754 1 1 . 1 1 136 136 GLN C C 136 174.900 174.900 175.924 -1.024 18978 755 1 1 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.986 -1.486 18978 756 1 1 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.862 1.068 18978 757 1 1 . 1 1 136 136 GLN H H 136 8.860 8.860 8.531 0.329 18978 758 1 1 . 1 1 137 137 LYS N N 137 118.100 118.100 115.469 2.631 18978 759 1 1 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.561 0.349 18978 760 1 1 . 1 1 137 137 LYS C C 137 172.400 172.400 173.754 -1.354 18978 761 1 1 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.126 0.774 18978 762 1 1 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.355 0.186 18978 763 1 1 . 1 1 137 137 LYS H H 137 8.260 8.260 8.047 0.213 18978 764 1 1 . 1 1 138 138 LEU N N 138 123.500 123.500 122.062 1.438 18978 765 1 1 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.841 0.019 18978 766 1 1 . 1 1 138 138 LEU C C 138 174.400 174.400 175.984 -1.584 18978 767 1 1 . 1 1 138 138 LEU CA C 138 53.510 53.510 54.104 -0.594 18978 768 1 1 . 1 1 138 138 LEU CB C 138 44.960 44.960 45.020 -0.060 18978 769 1 1 . 1 1 138 138 LEU H H 138 8.410 8.410 8.468 -0.058 18978 770 1 1 . 1 1 139 139 THR N N 139 123.600 123.600 123.018 0.582 18978 771 1 1 . 1 1 139 139 THR HA H 139 4.830 4.830 4.682 0.148 18978 772 1 1 . 1 1 139 139 THR C C 139 171.400 171.400 172.610 -1.210 18978 773 1 1 . 1 1 139 139 THR CA C 139 62.240 62.240 61.511 0.729 18978 774 1 1 . 1 1 139 139 THR CB C 139 70.120 70.120 70.114 0.006 18978 775 1 1 . 1 1 139 139 THR H H 139 8.820 8.820 8.246 0.574 18978 776 1 1 . 1 1 140 140 LEU N N 140 130.500 130.500 129.340 1.160 18978 777 1 1 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.667 0.363 18978 778 1 1 . 1 1 140 140 LEU C C 140 173.700 173.700 175.345 -1.645 18978 779 1 1 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.125 -0.745 18978 780 1 1 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.599 1.291 18978 781 1 1 . 1 1 140 140 LEU H H 140 9.250 9.250 8.698 0.552 18978 782 1 1 . 1 1 141 141 ILE N N 141 127.300 127.300 127.357 -0.057 18978 783 1 1 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.359 0.301 18978 784 1 1 . 1 1 141 141 ILE C C 141 174.200 174.200 174.060 0.140 18978 785 1 1 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.378 -0.868 18978 786 1 1 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.993 -1.143 18978 787 1 1 . 1 1 141 141 ILE H H 141 9.140 9.140 8.700 0.440 18978 788 1 1 . 1 1 142 142 ARG N N 142 126.500 126.500 128.384 -1.884 18978 789 1 1 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.620 0.260 18978 790 1 1 . 1 1 142 142 ARG C C 142 175.100 175.100 175.558 -0.458 18978 791 1 1 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.316 -0.776 18978 792 1 1 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.335 -0.835 18978 793 1 1 . 1 1 142 142 ARG H H 142 8.550 8.550 8.731 -0.181 18978 794 1 2 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.646 -1.646 18978 795 1 2 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.645 0.505 18978 796 1 2 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.308 0.082 18978 797 1 2 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.349 -2.619 18978 798 1 2 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.157 -0.117 18978 799 1 2 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.972 -0.092 18978 800 1 2 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.309 -0.199 18978 801 1 2 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.684 0.076 18978 802 1 2 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.227 -0.357 18978 803 1 2 . 1 1 0 0 ILE N N 0 125.570 125.570 127.459 -1.889 18978 804 1 2 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.481 -0.391 18978 805 1 2 . 1 1 0 0 ILE C C 0 175.850 175.850 175.448 0.402 18978 806 1 2 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.442 0.358 18978 807 1 2 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.023 -0.553 18978 808 1 2 . 1 1 0 0 ILE H H 0 8.230 8.230 8.296 -0.066 18978 809 1 2 . 1 1 1 1 MET N N 1 125.930 125.930 125.740 0.190 18978 810 1 2 . 1 1 1 1 MET HA H 1 4.540 4.540 4.770 -0.230 18978 811 1 2 . 1 1 1 1 MET C C 1 174.830 174.830 175.307 -0.477 18978 812 1 2 . 1 1 1 1 MET CA C 1 54.790 54.790 55.450 -0.660 18978 813 1 2 . 1 1 1 1 MET CB C 1 32.640 32.640 33.420 -0.780 18978 814 1 2 . 1 1 1 1 MET H H 1 8.370 8.370 8.385 -0.015 18978 815 1 2 . 1 1 2 2 SER N N 2 116.400 116.400 117.815 -1.415 18978 816 1 2 . 1 1 2 2 SER HA H 2 5.030 5.030 5.087 -0.057 18978 817 1 2 . 1 1 2 2 SER C C 2 174.330 174.330 173.406 0.924 18978 818 1 2 . 1 1 2 2 SER CA C 2 57.320 57.320 56.975 0.345 18978 819 1 2 . 1 1 2 2 SER CB C 2 64.790 64.790 66.058 -1.268 18978 820 1 2 . 1 1 2 2 SER H H 2 7.990 7.990 8.315 -0.325 18978 821 1 2 . 1 1 3 3 GLU N N 3 123.670 123.670 124.064 -0.394 18978 822 1 2 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.447 -0.197 18978 823 1 2 . 1 1 3 3 GLU C C 3 172.980 172.980 173.795 -0.815 18978 824 1 2 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.379 0.011 18978 825 1 2 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.446 -0.536 18978 826 1 2 . 1 1 3 3 GLU H H 3 9.430 9.430 8.643 0.787 18978 827 1 2 . 1 1 4 4 LEU N N 4 125.350 125.350 125.947 -0.597 18978 828 1 2 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.946 -0.076 18978 829 1 2 . 1 1 4 4 LEU C C 4 174.000 174.000 174.393 -0.393 18978 830 1 2 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.792 -0.772 18978 831 1 2 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.882 0.158 18978 832 1 2 . 1 1 4 4 LEU H H 4 8.930 8.930 8.604 0.326 18978 833 1 2 . 1 1 5 5 LYS N N 5 124.640 124.640 125.977 -1.337 18978 834 1 2 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.050 0.310 18978 835 1 2 . 1 1 5 5 LYS C C 5 175.660 175.660 175.464 0.196 18978 836 1 2 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.170 -0.230 18978 837 1 2 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.315 -0.035 18978 838 1 2 . 1 1 5 5 LYS H H 5 8.840 8.840 8.296 0.544 18978 839 1 2 . 1 1 6 6 LEU N N 6 123.460 123.460 124.830 -1.370 18978 840 1 2 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.137 0.293 18978 841 1 2 . 1 1 6 6 LEU C C 6 174.630 174.630 175.303 -0.673 18978 842 1 2 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.517 -0.617 18978 843 1 2 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.446 1.464 18978 844 1 2 . 1 1 6 6 LEU H H 6 8.820 8.820 8.325 0.495 18978 845 1 2 . 1 1 7 7 LYS N N 7 122.230 122.230 121.211 1.019 18978 846 1 2 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.354 0.136 18978 847 1 2 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.873 -0.603 18978 848 1 2 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.025 0.475 18978 849 1 2 . 1 1 7 7 LYS H H 7 9.110 9.110 8.579 0.531 18978 850 1 2 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.419 -0.319 18978 851 1 2 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.407 0.033 18978 852 1 2 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.664 -2.025 18978 853 1 2 . 1 1 9 9 LEU N N 9 123.250 123.250 121.776 1.474 18978 854 1 2 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.408 -0.088 18978 855 1 2 . 1 1 9 9 LEU CA C 9 57.680 57.680 57.359 0.321 18978 856 1 2 . 1 1 9 9 LEU CB C 9 38.760 38.760 39.845 -1.085 18978 857 1 2 . 1 1 9 9 LEU H H 9 8.490 8.490 7.916 0.574 18978 858 1 2 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.427 0.103 18978 859 1 2 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.090 0.790 18978 860 1 2 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.014 -0.594 18978 861 1 2 . 1 1 11 11 LYS N N 11 119.160 119.160 121.226 -2.066 18978 862 1 2 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.447 -0.337 18978 863 1 2 . 1 1 11 11 LYS C C 11 175.680 175.680 176.011 -0.331 18978 864 1 2 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.068 0.142 18978 865 1 2 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.100 -1.440 18978 866 1 2 . 1 1 11 11 LYS H H 11 8.180 8.180 8.366 -0.186 18978 867 1 2 . 1 1 12 12 VAL N N 12 121.820 121.820 122.697 -0.877 18978 868 1 2 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.270 0.010 18978 869 1 2 . 1 1 12 12 VAL C C 12 173.690 173.690 174.731 -1.041 18978 870 1 2 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.160 -1.330 18978 871 1 2 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.498 0.052 18978 872 1 2 . 1 1 12 12 VAL H H 12 7.530 7.530 8.113 -0.583 18978 873 1 2 . 1 1 13 13 GLU N N 13 125.610 125.610 124.503 1.107 18978 874 1 2 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.376 -0.046 18978 875 1 2 . 1 1 13 13 GLU C C 13 175.390 175.390 176.238 -0.848 18978 876 1 2 . 1 1 13 13 GLU CA C 13 55.220 55.220 56.347 -1.127 18978 877 1 2 . 1 1 13 13 GLU CB C 13 29.970 29.970 29.962 0.008 18978 878 1 2 . 1 1 13 13 GLU H H 13 8.270 8.270 8.402 -0.132 18978 879 1 2 . 1 1 14 14 LEU N N 14 125.880 125.880 126.773 -0.893 18978 880 1 2 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.540 -0.020 18978 881 1 2 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.242 -0.582 18978 882 1 2 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.077 -0.327 18978 883 1 2 . 1 1 14 14 LEU H H 14 8.480 8.480 8.238 0.242 18978 884 1 2 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.606 0.154 18978 885 1 2 . 1 1 15 15 PRO CA C 15 61.330 61.330 62.030 -0.700 18978 886 1 2 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.303 -0.243 18978 887 1 2 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.259 0.131 18978 888 1 2 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.067 -0.516 18978 889 1 2 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.868 -0.098 18978 890 1 2 . 1 1 17 17 ASP N N 17 115.820 115.820 115.537 0.283 18978 891 1 2 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.703 -0.083 18978 892 1 2 . 1 1 17 17 ASP C C 17 177.100 177.100 176.727 0.373 18978 893 1 2 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.728 0.162 18978 894 1 2 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.776 0.344 18978 895 1 2 . 1 1 17 17 ASP H H 17 8.560 8.560 8.711 -0.151 18978 896 1 2 . 1 1 18 18 PHE N N 18 119.610 119.610 122.007 -2.397 18978 897 1 2 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.120 0.060 18978 898 1 2 . 1 1 18 18 PHE C C 18 176.740 176.740 176.658 0.082 18978 899 1 2 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.832 -0.812 18978 900 1 2 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.314 -0.084 18978 901 1 2 . 1 1 18 18 PHE H H 18 7.940 7.940 7.664 0.276 18978 902 1 2 . 1 1 19 19 VAL N N 19 116.370 116.370 118.865 -2.495 18978 903 1 2 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.585 -0.235 18978 904 1 2 . 1 1 19 19 VAL C C 19 176.400 176.400 176.969 -0.569 18978 905 1 2 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.722 -0.212 18978 906 1 2 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.729 -0.709 18978 907 1 2 . 1 1 19 19 VAL H H 19 8.010 8.010 8.395 -0.385 18978 908 1 2 . 1 1 20 20 ASP N N 20 119.190 119.190 119.251 -0.061 18978 909 1 2 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.330 -0.020 18978 910 1 2 . 1 1 20 20 ASP C C 20 178.360 178.360 178.847 -0.487 18978 911 1 2 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.569 -0.459 18978 912 1 2 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.010 0.440 18978 913 1 2 . 1 1 20 20 ASP H H 20 7.420 7.420 7.473 -0.053 18978 914 1 2 . 1 1 21 21 VAL N N 21 119.830 119.830 120.090 -0.260 18978 915 1 2 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.622 -0.112 18978 916 1 2 . 1 1 21 21 VAL C C 21 178.100 178.100 178.092 0.008 18978 917 1 2 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.735 -0.165 18978 918 1 2 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.030 0.380 18978 919 1 2 . 1 1 21 21 VAL H H 21 7.190 7.190 7.422 -0.232 18978 920 1 2 . 1 1 22 22 ILE N N 22 118.490 118.490 119.472 -0.982 18978 921 1 2 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.442 -0.272 18978 922 1 2 . 1 1 22 22 ILE C C 22 176.660 176.660 178.112 -1.452 18978 923 1 2 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.807 1.413 18978 924 1 2 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.102 1.398 18978 925 1 2 . 1 1 22 22 ILE H H 22 7.660 7.660 7.644 0.016 18978 926 1 2 . 1 1 23 23 ARG N N 23 118.260 118.260 120.401 -2.141 18978 927 1 2 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.916 -0.536 18978 928 1 2 . 1 1 23 23 ARG C C 23 178.060 178.060 178.860 -0.800 18978 929 1 2 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.935 0.634 18978 930 1 2 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.058 0.012 18978 931 1 2 . 1 1 23 23 ARG H H 23 7.830 7.830 7.818 0.012 18978 932 1 2 . 1 1 24 24 ILE N N 24 116.750 116.750 117.772 -1.022 18978 933 1 2 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.694 0.026 18978 934 1 2 . 1 1 24 24 ILE C C 24 179.090 179.090 177.125 1.965 18978 935 1 2 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.629 -0.569 18978 936 1 2 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.890 0.140 18978 937 1 2 . 1 1 24 24 ILE H H 24 7.350 7.350 7.477 -0.127 18978 938 1 2 . 1 1 25 25 LYS N N 25 118.700 118.700 117.466 1.234 18978 939 1 2 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.985 0.105 18978 940 1 2 . 1 1 25 25 LYS C C 25 178.560 178.560 178.081 0.479 18978 941 1 2 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.418 -0.768 18978 942 1 2 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.781 -0.691 18978 943 1 2 . 1 1 25 25 LYS H H 25 7.880 7.880 7.590 0.290 18978 944 1 2 . 1 1 26 26 LEU N N 26 116.380 116.380 117.171 -0.791 18978 945 1 2 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.200 0.030 18978 946 1 2 . 1 1 26 26 LEU C C 26 175.880 175.880 177.116 -1.236 18978 947 1 2 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.767 -1.677 18978 948 1 2 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.914 0.396 18978 949 1 2 . 1 1 26 26 LEU H H 26 7.860 7.860 7.833 0.027 18978 950 1 2 . 1 1 27 27 GLN N N 27 119.210 119.210 117.232 1.978 18978 951 1 2 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.858 -0.328 18978 952 1 2 . 1 1 27 27 GLN C C 27 177.480 177.480 177.135 0.345 18978 953 1 2 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.369 1.001 18978 954 1 2 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.719 -0.419 18978 955 1 2 . 1 1 27 27 GLN H H 27 7.190 7.190 7.677 -0.487 18978 956 1 2 . 1 1 28 28 GLY N N 28 113.490 113.490 113.717 -0.227 18978 957 1 2 . 1 1 28 28 GLY C C 28 174.070 174.070 174.586 -0.516 18978 958 1 2 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.917 0.363 18978 959 1 2 . 1 1 28 28 GLY H H 28 8.940 8.940 8.685 0.255 18978 960 1 2 . 1 1 29 29 LYS N N 29 122.060 122.060 123.135 -1.075 18978 961 1 2 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.660 -0.260 18978 962 1 2 . 1 1 29 29 LYS C C 29 175.560 175.560 175.465 0.095 18978 963 1 2 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.248 0.412 18978 964 1 2 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.129 -1.259 18978 965 1 2 . 1 1 29 29 LYS H H 29 8.350 8.350 7.804 0.546 18978 966 1 2 . 1 1 30 30 THR N N 30 118.150 118.150 116.605 1.545 18978 967 1 2 . 1 1 30 30 THR HA H 30 5.330 5.330 4.914 0.416 18978 968 1 2 . 1 1 30 30 THR C C 30 174.860 174.860 174.453 0.407 18978 969 1 2 . 1 1 30 30 THR CA C 30 62.040 62.040 61.895 0.145 18978 970 1 2 . 1 1 30 30 THR CB C 30 69.420 69.420 69.754 -0.334 18978 971 1 2 . 1 1 30 30 THR H H 30 8.410 8.410 8.256 0.154 18978 972 1 2 . 1 1 31 31 VAL N N 31 122.510 122.510 120.127 2.383 18978 973 1 2 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.615 -0.045 18978 974 1 2 . 1 1 31 31 VAL C C 31 172.970 172.970 173.853 -0.883 18978 975 1 2 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.735 -0.285 18978 976 1 2 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.028 0.852 18978 977 1 2 . 1 1 31 31 VAL H H 31 9.140 9.140 9.014 0.126 18978 978 1 2 . 1 1 32 32 ARG N N 32 120.640 120.640 121.469 -0.829 18978 979 1 2 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.763 -0.013 18978 980 1 2 . 1 1 32 32 ARG C C 32 175.650 175.650 175.729 -0.079 18978 981 1 2 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.468 -0.818 18978 982 1 2 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.518 -0.648 18978 983 1 2 . 1 1 32 32 ARG H H 32 8.420 8.420 8.916 -0.496 18978 984 1 2 . 1 1 33 33 THR N N 33 118.590 118.590 117.517 1.073 18978 985 1 2 . 1 1 33 33 THR HA H 33 3.410 3.410 3.821 -0.411 18978 986 1 2 . 1 1 33 33 THR C C 33 175.020 175.020 176.133 -1.113 18978 987 1 2 . 1 1 33 33 THR CA C 33 65.660 65.660 65.013 0.647 18978 988 1 2 . 1 1 33 33 THR CB C 33 69.400 69.400 68.576 0.824 18978 989 1 2 . 1 1 33 33 THR H H 33 8.370 8.370 8.558 -0.188 18978 990 1 2 . 1 1 34 34 GLY N N 34 117.350 117.350 116.246 1.104 18978 991 1 2 . 1 1 34 34 GLY C C 34 174.350 174.350 174.514 -0.164 18978 992 1 2 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.835 0.165 18978 993 1 2 . 1 1 34 34 GLY H H 34 9.090 9.090 8.485 0.605 18978 994 1 2 . 1 1 35 35 ASP N N 35 122.240 122.240 123.515 -1.275 18978 995 1 2 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.657 -0.187 18978 996 1 2 . 1 1 35 35 ASP C C 35 174.570 174.570 175.310 -0.740 18978 997 1 2 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.595 -0.025 18978 998 1 2 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.954 -0.274 18978 999 1 2 . 1 1 35 35 ASP H H 35 8.010 8.010 7.823 0.187 18978 1000 1 2 . 1 1 36 36 VAL N N 36 119.860 119.860 120.620 -0.760 18978 1001 1 2 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.773 0.177 18978 1002 1 2 . 1 1 36 36 VAL C C 36 176.330 176.330 175.783 0.547 18978 1003 1 2 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.156 0.554 18978 1004 1 2 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.854 -0.954 18978 1005 1 2 . 1 1 36 36 VAL H H 36 8.330 8.330 8.247 0.083 18978 1006 1 2 . 1 1 37 37 ILE N N 37 124.990 124.990 127.808 -2.818 18978 1007 1 2 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.515 0.115 18978 1008 1 2 . 1 1 37 37 ILE C C 37 174.400 174.400 175.052 -0.652 18978 1009 1 2 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.385 -1.395 18978 1010 1 2 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.212 0.598 18978 1011 1 2 . 1 1 37 37 ILE H H 37 9.160 9.160 8.663 0.497 18978 1012 1 2 . 1 1 38 38 GLY N N 38 112.060 112.060 113.017 -0.957 18978 1013 1 2 . 1 1 38 38 GLY C C 38 172.920 172.920 173.732 -0.812 18978 1014 1 2 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.390 0.190 18978 1015 1 2 . 1 1 38 38 GLY H H 38 8.660 8.660 8.474 0.186 18978 1016 1 2 . 1 1 39 39 ILE N N 39 123.220 123.220 124.039 -0.819 18978 1017 1 2 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.508 -0.138 18978 1018 1 2 . 1 1 39 39 ILE C C 39 174.500 174.500 175.381 -0.881 18978 1019 1 2 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.506 -0.956 18978 1020 1 2 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.955 -0.654 18978 1021 1 2 . 1 1 39 39 ILE H H 39 8.810 8.810 8.411 0.399 18978 1022 1 2 . 1 1 40 40 SER N N 40 121.430 121.430 122.385 -0.955 18978 1023 1 2 . 1 1 40 40 SER HA H 40 4.830 4.830 4.974 -0.144 18978 1024 1 2 . 1 1 40 40 SER C C 40 174.130 174.130 174.082 0.048 18978 1025 1 2 . 1 1 40 40 SER CA C 40 57.770 57.770 57.816 -0.045 18978 1026 1 2 . 1 1 40 40 SER CB C 40 63.040 63.040 63.683 -0.643 18978 1027 1 2 . 1 1 40 40 SER H H 40 8.540 8.540 8.698 -0.158 18978 1028 1 2 . 1 1 41 41 ILE N N 41 127.060 127.060 127.122 -0.062 18978 1029 1 2 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.382 -0.092 18978 1030 1 2 . 1 1 41 41 ILE C C 41 175.280 175.280 175.649 -0.369 18978 1031 1 2 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.676 0.574 18978 1032 1 2 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.413 1.427 18978 1033 1 2 . 1 1 41 41 ILE H H 41 8.930 8.930 8.544 0.386 18978 1034 1 2 . 1 1 42 42 LEU N N 42 126.770 126.770 129.224 -2.454 18978 1035 1 2 . 1 1 42 42 LEU HA H 42 3.890 3.890 4.008 -0.118 18978 1036 1 2 . 1 1 42 42 LEU C C 42 177.130 177.130 177.095 0.035 18978 1037 1 2 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.701 -0.141 18978 1038 1 2 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.369 -0.999 18978 1039 1 2 . 1 1 42 42 LEU H H 42 9.380 9.380 8.943 0.437 18978 1040 1 2 . 1 1 43 43 GLY N N 43 103.820 103.820 104.256 -0.436 18978 1041 1 2 . 1 1 43 43 GLY C C 43 173.690 173.690 173.363 0.327 18978 1042 1 2 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.842 0.498 18978 1043 1 2 . 1 1 43 43 GLY H H 43 8.310 8.310 8.439 -0.129 18978 1044 1 2 . 1 1 44 44 LYS N N 44 121.160 121.160 120.457 0.703 18978 1045 1 2 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.584 -0.024 18978 1046 1 2 . 1 1 44 44 LYS C C 44 174.550 174.550 174.772 -0.222 18978 1047 1 2 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.287 -1.147 18978 1048 1 2 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.267 -0.647 18978 1049 1 2 . 1 1 44 44 LYS H H 44 7.730 7.730 7.675 0.055 18978 1050 1 2 . 1 1 45 45 GLU N N 45 124.090 124.090 128.071 -3.981 18978 1051 1 2 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.399 -0.119 18978 1052 1 2 . 1 1 45 45 GLU C C 45 175.730 175.730 175.378 0.352 18978 1053 1 2 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.441 0.289 18978 1054 1 2 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.213 -0.143 18978 1055 1 2 . 1 1 45 45 GLU H H 45 8.490 8.490 8.744 -0.254 18978 1056 1 2 . 1 1 46 46 VAL N N 46 129.960 129.960 127.514 2.446 18978 1057 1 2 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.392 -0.362 18978 1058 1 2 . 1 1 46 46 VAL C C 46 174.610 174.610 173.929 0.681 18978 1059 1 2 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.356 1.324 18978 1060 1 2 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.950 -0.070 18978 1061 1 2 . 1 1 46 46 VAL H H 46 8.920 8.920 8.472 0.448 18978 1062 1 2 . 1 1 47 47 LYS N N 47 124.790 124.790 128.011 -3.221 18978 1063 1 2 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.937 0.183 18978 1064 1 2 . 1 1 47 47 LYS C C 47 175.380 175.380 175.526 -0.146 18978 1065 1 2 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.209 -0.009 18978 1066 1 2 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.905 0.765 18978 1067 1 2 . 1 1 47 47 LYS H H 47 7.860 7.860 8.524 -0.664 18978 1068 1 2 . 1 1 48 48 PHE N N 48 118.270 118.270 123.662 -5.392 18978 1069 1 2 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.893 0.067 18978 1070 1 2 . 1 1 48 48 PHE C C 48 173.950 173.950 174.751 -0.801 18978 1071 1 2 . 1 1 48 48 PHE CA C 48 55.910 55.910 56.976 -1.066 18978 1072 1 2 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.726 1.224 18978 1073 1 2 . 1 1 48 48 PHE H H 48 9.270 9.270 8.902 0.368 18978 1074 1 2 . 1 1 49 49 LYS N N 49 121.960 121.960 123.299 -1.339 18978 1075 1 2 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.891 0.019 18978 1076 1 2 . 1 1 49 49 LYS C C 49 176.230 176.230 175.523 0.707 18978 1077 1 2 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.428 -0.519 18978 1078 1 2 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.091 -0.921 18978 1079 1 2 . 1 1 49 49 LYS H H 49 9.170 9.170 8.661 0.509 18978 1080 1 2 . 1 1 50 50 VAL N N 50 127.140 127.140 127.454 -0.314 18978 1081 1 2 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.016 0.154 18978 1082 1 2 . 1 1 50 50 VAL C C 50 175.500 175.500 176.226 -0.726 18978 1083 1 2 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.324 -1.343 18978 1084 1 2 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.200 -1.710 18978 1085 1 2 . 1 1 50 50 VAL H H 50 9.400 9.400 8.256 1.144 18978 1086 1 2 . 1 1 51 51 VAL N N 51 132.840 132.840 129.534 3.306 18978 1087 1 2 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.835 -0.185 18978 1088 1 2 . 1 1 51 51 VAL C C 51 176.440 176.440 176.226 0.214 18978 1089 1 2 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.014 -0.084 18978 1090 1 2 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.339 -0.209 18978 1091 1 2 . 1 1 51 51 VAL H H 51 8.390 8.390 8.481 -0.091 18978 1092 1 2 . 1 1 52 52 GLN N N 52 114.500 114.500 114.992 -0.492 18978 1093 1 2 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.556 -0.286 18978 1094 1 2 . 1 1 52 52 GLN C C 52 172.290 172.290 173.402 -1.112 18978 1095 1 2 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.656 0.984 18978 1096 1 2 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.544 0.086 18978 1097 1 2 . 1 1 52 52 GLN H H 52 7.470 7.470 7.499 -0.029 18978 1098 1 2 . 1 1 53 53 ALA N N 53 131.410 131.410 127.622 3.788 18978 1099 1 2 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.833 -0.003 18978 1100 1 2 . 1 1 53 53 ALA C C 53 174.270 174.270 175.470 -1.200 18978 1101 1 2 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.574 0.226 18978 1102 1 2 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.654 -1.554 18978 1103 1 2 . 1 1 53 53 ALA H H 53 8.200 8.200 8.329 -0.129 18978 1104 1 2 . 1 1 54 54 TYR N N 54 124.140 124.140 124.348 -0.208 18978 1105 1 2 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.950 -0.410 18978 1106 1 2 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.702 -1.432 18978 1107 1 2 . 1 1 54 54 TYR CB C 54 41.360 41.360 41.818 -0.458 18978 1108 1 2 . 1 1 54 54 TYR H H 54 8.860 8.860 8.551 0.309 18978 1109 1 2 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.320 -0.200 18978 1110 1 2 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.265 1.185 18978 1111 1 2 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.978 1.192 18978 1112 1 2 . 1 1 56 56 SER N N 56 106.200 106.200 115.338 -9.138 18978 1113 1 2 . 1 1 56 56 SER HA H 56 4.720 4.720 4.762 -0.042 18978 1114 1 2 . 1 1 56 56 SER CA C 56 54.250 54.250 56.245 -1.995 18978 1115 1 2 . 1 1 56 56 SER CB C 56 64.530 64.530 64.588 -0.058 18978 1116 1 2 . 1 1 56 56 SER H H 56 7.380 7.380 8.138 -0.758 18978 1117 1 2 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.412 0.468 18978 1118 1 2 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.965 0.025 18978 1119 1 2 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.543 2.677 18978 1120 1 2 . 1 1 58 58 LEU N N 58 120.480 120.480 121.916 -1.436 18978 1121 1 2 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.687 -0.257 18978 1122 1 2 . 1 1 58 58 LEU C C 58 174.570 174.570 174.882 -0.312 18978 1123 1 2 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.167 -0.267 18978 1124 1 2 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.223 -2.013 18978 1125 1 2 . 1 1 58 58 LEU H H 58 8.960 8.960 8.381 0.579 18978 1126 1 2 . 1 1 59 59 ARG N N 59 125.180 125.180 125.108 0.072 18978 1127 1 2 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.503 0.427 18978 1128 1 2 . 1 1 59 59 ARG C C 59 175.460 175.460 175.398 0.062 18978 1129 1 2 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.281 -1.241 18978 1130 1 2 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.703 -1.153 18978 1131 1 2 . 1 1 59 59 ARG H H 59 8.130 8.130 8.542 -0.412 18978 1132 1 2 . 1 1 60 60 VAL N N 60 128.170 128.170 126.839 1.331 18978 1133 1 2 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.062 -0.652 18978 1134 1 2 . 1 1 60 60 VAL C C 60 175.460 175.460 174.282 1.178 18978 1135 1 2 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.141 2.069 18978 1136 1 2 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.967 -2.127 18978 1137 1 2 . 1 1 60 60 VAL H H 60 8.450 8.450 8.274 0.176 18978 1138 1 2 . 1 1 61 61 GLU N N 61 127.670 127.670 127.242 0.428 18978 1139 1 2 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.534 0.336 18978 1140 1 2 . 1 1 61 61 GLU C C 61 176.960 176.960 176.399 0.561 18978 1141 1 2 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.177 0.153 18978 1142 1 2 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.228 0.052 18978 1143 1 2 . 1 1 61 61 GLU H H 61 8.620 8.620 7.773 0.847 18978 1144 1 2 . 1 1 62 62 ASP N N 62 121.140 121.140 124.074 -2.934 18978 1145 1 2 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.297 -0.147 18978 1146 1 2 . 1 1 62 62 ASP C C 62 177.460 177.460 177.138 0.322 18978 1147 1 2 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.624 -0.004 18978 1148 1 2 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.677 -0.317 18978 1149 1 2 . 1 1 62 62 ASP H H 62 8.700 8.700 8.776 -0.076 18978 1150 1 2 . 1 1 63 63 ARG N N 63 112.890 112.890 116.436 -3.546 18978 1151 1 2 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.245 0.035 18978 1152 1 2 . 1 1 63 63 ARG C C 63 176.510 176.510 177.429 -0.919 18978 1153 1 2 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.140 -0.690 18978 1154 1 2 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.178 -0.188 18978 1155 1 2 . 1 1 63 63 ARG H H 63 7.760 7.760 8.028 -0.268 18978 1156 1 2 . 1 1 64 64 THR N N 64 120.650 120.650 116.911 3.739 18978 1157 1 2 . 1 1 64 64 THR HA H 64 4.020 4.020 4.147 -0.127 18978 1158 1 2 . 1 1 64 64 THR C C 64 173.810 173.810 174.160 -0.350 18978 1159 1 2 . 1 1 64 64 THR CA C 64 64.060 64.060 63.776 0.284 18978 1160 1 2 . 1 1 64 64 THR CB C 64 69.350 69.350 69.482 -0.132 18978 1161 1 2 . 1 1 64 64 THR H H 64 7.700 7.700 7.671 0.029 18978 1162 1 2 . 1 1 65 65 LYS N N 65 130.950 130.950 126.948 4.002 18978 1163 1 2 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.395 -0.125 18978 1164 1 2 . 1 1 65 65 LYS C C 65 174.560 174.560 175.184 -0.624 18978 1165 1 2 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.327 -0.047 18978 1166 1 2 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.085 0.035 18978 1167 1 2 . 1 1 65 65 LYS H H 65 8.520 8.520 8.172 0.348 18978 1168 1 2 . 1 1 66 66 ILE N N 66 128.020 128.020 126.144 1.876 18978 1169 1 2 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.816 0.034 18978 1170 1 2 . 1 1 66 66 ILE C C 66 174.650 174.650 176.031 -1.381 18978 1171 1 2 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.122 -0.302 18978 1172 1 2 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.100 -1.820 18978 1173 1 2 . 1 1 66 66 ILE H H 66 8.430 8.430 8.595 -0.165 18978 1174 1 2 . 1 1 67 67 THR N N 67 123.870 123.870 123.562 0.308 18978 1175 1 2 . 1 1 67 67 THR HA H 67 4.470 4.470 4.742 -0.272 18978 1176 1 2 . 1 1 67 67 THR C C 67 172.760 172.760 172.882 -0.122 18978 1177 1 2 . 1 1 67 67 THR CA C 67 60.740 60.740 61.479 -0.739 18978 1178 1 2 . 1 1 67 67 THR CB C 67 71.320 71.320 71.016 0.304 18978 1179 1 2 . 1 1 67 67 THR H H 67 8.870 8.870 8.538 0.332 18978 1180 1 2 . 1 1 68 68 LEU N N 68 127.070 127.070 127.329 -0.259 18978 1181 1 2 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.990 0.150 18978 1182 1 2 . 1 1 68 68 LEU C C 68 176.610 176.610 176.704 -0.094 18978 1183 1 2 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.379 -1.099 18978 1184 1 2 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.283 -0.683 18978 1185 1 2 . 1 1 68 68 LEU H H 68 8.820 8.820 8.628 0.192 18978 1186 1 2 . 1 1 69 69 VAL N N 69 124.120 124.120 125.308 -1.188 18978 1187 1 2 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.388 -0.128 18978 1188 1 2 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.825 -0.475 18978 1189 1 2 . 1 1 69 69 VAL CB C 69 32.790 32.790 33.288 -0.499 18978 1190 1 2 . 1 1 69 69 VAL H H 69 8.800 8.800 8.515 0.285 18978 1191 1 2 . 1 1 70 70 THR N N 70 114.500 114.500 119.299 -4.799 18978 1192 1 2 . 1 1 70 70 THR HA H 70 4.410 4.410 4.500 -0.090 18978 1193 1 2 . 1 1 70 70 THR CA C 70 60.800 60.800 61.710 -0.910 18978 1194 1 2 . 1 1 70 70 THR CB C 70 69.650 69.650 69.420 0.230 18978 1195 1 2 . 1 1 70 70 THR H H 70 8.160 8.160 8.556 -0.396 18978 1196 1 2 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.432 -0.502 18978 1197 1 2 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.849 0.671 18978 1198 1 2 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.923 1.216 18978 1199 1 2 . 1 1 73 73 VAL N N 73 117.500 117.500 114.394 3.106 18978 1200 1 2 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.456 0.064 18978 1201 1 2 . 1 1 73 73 VAL C C 73 174.100 174.100 173.889 0.211 18978 1202 1 2 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.850 0.160 18978 1203 1 2 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.361 -1.031 18978 1204 1 2 . 1 1 73 73 VAL H H 73 7.410 7.410 7.519 -0.109 18978 1205 1 2 . 1 1 74 74 ASP N N 74 124.500 124.500 121.439 3.061 18978 1206 1 2 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.901 0.009 18978 1207 1 2 . 1 1 74 74 ASP C C 74 174.000 174.000 175.537 -1.537 18978 1208 1 2 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.703 -0.253 18978 1209 1 2 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.327 2.023 18978 1210 1 2 . 1 1 74 74 ASP H H 74 8.290 8.290 8.355 -0.065 18978 1211 1 2 . 1 1 75 75 VAL N N 75 122.400 122.400 125.168 -2.768 18978 1212 1 2 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.337 0.353 18978 1213 1 2 . 1 1 75 75 VAL C C 75 174.600 174.600 175.244 -0.644 18978 1214 1 2 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.589 -0.389 18978 1215 1 2 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.185 0.145 18978 1216 1 2 . 1 1 75 75 VAL H H 75 7.780 7.780 8.466 -0.686 18978 1217 1 2 . 1 1 76 76 LEU N N 76 130.300 130.300 128.199 2.101 18978 1218 1 2 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.667 0.053 18978 1219 1 2 . 1 1 76 76 LEU C C 76 174.400 174.400 176.201 -1.801 18978 1220 1 2 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.149 -0.519 18978 1221 1 2 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.531 1.429 18978 1222 1 2 . 1 1 76 76 LEU H H 76 9.200 9.200 8.441 0.759 18978 1223 1 2 . 1 1 77 77 GLU N N 77 118.600 118.600 122.278 -3.678 18978 1224 1 2 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.515 0.805 18978 1225 1 2 . 1 1 77 77 GLU C C 77 174.900 174.900 174.960 -0.060 18978 1226 1 2 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.780 -1.690 18978 1227 1 2 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.064 2.136 18978 1228 1 2 . 1 1 77 77 GLU H H 77 8.010 8.010 8.542 -0.532 18978 1229 1 2 . 1 1 78 78 ALA N N 78 124.500 124.500 125.166 -0.666 18978 1230 1 2 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.489 0.151 18978 1231 1 2 . 1 1 78 78 ALA C C 78 175.500 175.500 177.044 -1.544 18978 1232 1 2 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.512 -0.832 18978 1233 1 2 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.179 0.631 18978 1234 1 2 . 1 1 78 78 ALA H H 78 8.800 8.800 8.196 0.604 18978 1235 1 2 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.407 0.073 18978 1236 1 2 . 1 1 79 79 LYS C C 79 174.700 174.700 175.552 -0.852 18978 1237 1 2 . 1 1 79 79 LYS CA C 79 56.100 56.100 55.896 0.204 18978 1238 1 2 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.021 -1.081 18978 1239 1 2 . 1 1 80 80 ILE N N 80 127.300 127.300 124.585 2.715 18978 1240 1 2 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.269 -0.189 18978 1241 1 2 . 1 1 80 80 ILE C C 80 172.700 172.700 174.865 -2.165 18978 1242 1 2 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.472 -0.532 18978 1243 1 2 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.819 2.111 18978 1244 1 2 . 1 1 80 80 ILE H H 80 7.380 7.380 8.493 -1.113 18978 1245 1 2 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.538 -0.258 18978 1246 1 2 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.848 0.272 18978 1247 1 2 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.079 -0.329 18978 1248 1 2 . 1 1 82 82 GLY N N 82 113.000 113.000 112.004 0.996 18978 1249 1 2 . 1 1 82 82 GLY C C 82 174.600 174.600 174.137 0.463 18978 1250 1 2 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.634 2.236 18978 1251 1 2 . 1 1 82 82 GLY H H 82 8.210 8.210 8.724 -0.514 18978 1252 1 2 . 1 1 83 83 ILE N N 83 121.200 121.200 119.029 2.171 18978 1253 1 2 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.889 -0.549 18978 1254 1 2 . 1 1 83 83 ILE C C 83 175.000 175.000 176.328 -1.328 18978 1255 1 2 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.059 2.651 18978 1256 1 2 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.001 -0.511 18978 1257 1 2 . 1 1 83 83 ILE H H 83 8.350 8.350 8.094 0.256 18978 1258 1 2 . 1 1 84 84 LYS N N 84 129.400 129.400 128.473 0.927 18978 1259 1 2 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.380 0.110 18978 1260 1 2 . 1 1 84 84 LYS C C 84 175.000 175.000 176.241 -1.241 18978 1261 1 2 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.984 -0.914 18978 1262 1 2 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.149 0.341 18978 1263 1 2 . 1 1 84 84 LYS H H 84 9.160 9.160 8.609 0.551 18978 1264 1 2 . 1 1 85 85 ASP N N 85 117.500 117.500 117.356 0.144 18978 1265 1 2 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.887 -0.107 18978 1266 1 2 . 1 1 85 85 ASP C C 85 173.200 173.200 173.751 -0.551 18978 1267 1 2 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.890 -0.800 18978 1268 1 2 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.151 -0.661 18978 1269 1 2 . 1 1 85 85 ASP H H 85 7.990 7.990 7.889 0.101 18978 1270 1 2 . 1 1 86 86 VAL N N 86 119.400 119.400 121.642 -2.242 18978 1271 1 2 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.574 0.596 18978 1272 1 2 . 1 1 86 86 VAL C C 86 172.500 172.500 175.130 -2.630 18978 1273 1 2 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.943 -1.193 18978 1274 1 2 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.025 1.135 18978 1275 1 2 . 1 1 86 86 VAL H H 86 8.210 8.210 8.453 -0.243 18978 1276 1 2 . 1 1 87 87 ILE N N 87 127.100 127.100 128.456 -1.356 18978 1277 1 2 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.435 -0.225 18978 1278 1 2 . 1 1 87 87 ILE C C 87 173.600 173.600 174.164 -0.564 18978 1279 1 2 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.424 0.046 18978 1280 1 2 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.764 0.726 18978 1281 1 2 . 1 1 87 87 ILE H H 87 9.190 9.190 8.622 0.568 18978 1282 1 2 . 1 1 88 88 LEU N N 88 125.700 125.700 128.630 -2.930 18978 1283 1 2 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.759 0.281 18978 1284 1 2 . 1 1 88 88 LEU C C 88 174.500 174.500 175.005 -0.505 18978 1285 1 2 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.089 -1.149 18978 1286 1 2 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.582 -1.072 18978 1287 1 2 . 1 1 88 88 LEU H H 88 7.840 7.840 8.387 -0.547 18978 1288 1 2 . 1 1 89 89 ASP N N 89 127.800 127.800 125.506 2.294 18978 1289 1 2 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.023 -0.253 18978 1290 1 2 . 1 1 89 89 ASP C C 89 174.100 174.100 176.615 -2.515 18978 1291 1 2 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.462 0.158 18978 1292 1 2 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.261 -0.191 18978 1293 1 2 . 1 1 89 89 ASP H H 89 8.280 8.280 8.765 -0.485 18978 1294 1 2 . 1 1 90 90 GLU N N 90 122.400 122.400 122.960 -0.560 18978 1295 1 2 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.030 -0.180 18978 1296 1 2 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.407 -0.577 18978 1297 1 2 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.872 -0.462 18978 1298 1 2 . 1 1 90 90 GLU H H 90 8.980 8.980 8.763 0.217 18978 1299 1 2 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.936 -0.656 18978 1300 1 2 . 1 1 91 91 ASN C C 91 173.600 173.600 173.339 0.261 18978 1301 1 2 . 1 1 91 91 ASN CA C 91 54.160 54.160 53.011 1.149 18978 1302 1 2 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.297 -0.397 18978 1303 1 2 . 1 1 92 92 LEU N N 92 117.400 117.400 119.621 -2.221 18978 1304 1 2 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.722 0.308 18978 1305 1 2 . 1 1 92 92 LEU C C 92 174.700 174.700 174.171 0.529 18978 1306 1 2 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.540 -0.840 18978 1307 1 2 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.165 0.085 18978 1308 1 2 . 1 1 92 92 LEU H H 92 7.110 7.110 7.828 -0.718 18978 1309 1 2 . 1 1 93 93 ILE N N 93 121.300 121.300 122.005 -0.705 18978 1310 1 2 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.542 -0.092 18978 1311 1 2 . 1 1 93 93 ILE C C 93 174.000 174.000 174.371 -0.371 18978 1312 1 2 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.649 0.321 18978 1313 1 2 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.604 0.026 18978 1314 1 2 . 1 1 93 93 ILE H H 93 8.450 8.450 8.569 -0.119 18978 1315 1 2 . 1 1 94 94 VAL N N 94 128.000 128.000 128.579 -0.579 18978 1316 1 2 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.923 -0.083 18978 1317 1 2 . 1 1 94 94 VAL C C 94 174.000 174.000 174.594 -0.594 18978 1318 1 2 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.143 -0.043 18978 1319 1 2 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.999 -1.879 18978 1320 1 2 . 1 1 94 94 VAL H H 94 8.970 8.970 8.517 0.453 18978 1321 1 2 . 1 1 95 95 VAL N N 95 127.700 127.700 127.411 0.289 18978 1322 1 2 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.543 0.127 18978 1323 1 2 . 1 1 95 95 VAL C C 95 173.300 173.300 174.655 -1.355 18978 1324 1 2 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.324 -0.484 18978 1325 1 2 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.951 -0.711 18978 1326 1 2 . 1 1 95 95 VAL H H 95 9.420 9.420 8.598 0.822 18978 1327 1 2 . 1 1 96 96 ILE N N 96 126.000 126.000 126.875 -0.875 18978 1328 1 2 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.971 0.249 18978 1329 1 2 . 1 1 96 96 ILE C C 96 177.100 177.100 175.482 1.618 18978 1330 1 2 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.869 -0.299 18978 1331 1 2 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.259 0.491 18978 1332 1 2 . 1 1 96 96 ILE H H 96 8.460 8.460 8.684 -0.224 18978 1333 1 2 . 1 1 97 97 THR N N 97 118.100 118.100 117.596 0.504 18978 1334 1 2 . 1 1 97 97 THR HA H 97 5.250 5.250 4.851 0.399 18978 1335 1 2 . 1 1 97 97 THR C C 97 176.300 176.300 175.539 0.761 18978 1336 1 2 . 1 1 97 97 THR CA C 97 59.650 59.650 59.837 -0.187 18978 1337 1 2 . 1 1 97 97 THR CB C 97 71.890 71.890 71.723 0.167 18978 1338 1 2 . 1 1 97 97 THR H H 97 9.050 9.050 8.442 0.608 18978 1339 1 2 . 1 1 98 98 GLU N N 98 120.100 120.100 123.137 -3.037 18978 1340 1 2 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.974 0.146 18978 1341 1 2 . 1 1 98 98 GLU C C 98 176.200 176.200 177.258 -1.058 18978 1342 1 2 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.335 -1.445 18978 1343 1 2 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.703 -0.173 18978 1344 1 2 . 1 1 98 98 GLU H H 98 9.220 9.220 8.347 0.873 18978 1345 1 2 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.384 -0.234 18978 1346 1 2 . 1 1 99 99 GLU C C 99 174.200 174.200 175.600 -1.400 18978 1347 1 2 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.186 2.024 18978 1348 1 2 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.918 0.952 18978 1349 1 2 . 1 1 100 100 ASN N N 100 113.200 113.200 115.385 -2.185 18978 1350 1 2 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.333 -0.223 18978 1351 1 2 . 1 1 100 100 ASN C C 100 173.700 173.700 173.333 0.367 18978 1352 1 2 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.407 -0.007 18978 1353 1 2 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.425 -0.565 18978 1354 1 2 . 1 1 100 100 ASN H H 100 8.020 8.020 8.330 -0.310 18978 1355 1 2 . 1 1 101 101 GLU N N 101 115.500 115.500 118.193 -2.693 18978 1356 1 2 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.810 0.340 18978 1357 1 2 . 1 1 101 101 GLU C C 101 174.900 174.900 174.579 0.321 18978 1358 1 2 . 1 1 101 101 GLU CA C 101 55.050 55.050 54.897 0.153 18978 1359 1 2 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.423 -2.023 18978 1360 1 2 . 1 1 101 101 GLU H H 101 7.230 7.230 7.357 -0.127 18978 1361 1 2 . 1 1 102 102 VAL N N 102 122.700 122.700 124.793 -2.093 18978 1362 1 2 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.491 0.429 18978 1363 1 2 . 1 1 102 102 VAL C C 102 173.700 173.700 174.299 -0.599 18978 1364 1 2 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.375 -0.455 18978 1365 1 2 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.606 0.204 18978 1366 1 2 . 1 1 102 102 VAL H H 102 8.710 8.710 8.747 -0.037 18978 1367 1 2 . 1 1 103 103 LEU N N 103 127.300 127.300 128.449 -1.149 18978 1368 1 2 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.906 -0.606 18978 1369 1 2 . 1 1 103 103 LEU C C 103 174.500 174.500 175.320 -0.820 18978 1370 1 2 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.588 0.232 18978 1371 1 2 . 1 1 103 103 LEU H H 103 9.140 9.140 8.401 0.739 18978 1372 1 2 . 1 1 104 104 ILE N N 104 122.200 122.200 121.921 0.279 18978 1373 1 2 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.671 0.069 18978 1374 1 2 . 1 1 104 104 ILE C C 104 173.600 173.600 174.525 -0.925 18978 1375 1 2 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.359 -0.139 18978 1376 1 2 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.486 -0.336 18978 1377 1 2 . 1 1 104 104 ILE H H 104 8.470 8.470 8.241 0.229 18978 1378 1 2 . 1 1 105 105 PHE N N 105 126.600 126.600 125.287 1.313 18978 1379 1 2 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.632 -0.062 18978 1380 1 2 . 1 1 105 105 PHE C C 105 175.800 175.800 175.296 0.504 18978 1381 1 2 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.801 -0.351 18978 1382 1 2 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.411 1.259 18978 1383 1 2 . 1 1 105 105 PHE H H 105 9.330 9.330 8.991 0.339 18978 1384 1 2 . 1 1 106 106 ASN N N 106 116.000 116.000 118.406 -2.406 18978 1385 1 2 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.032 0.438 18978 1386 1 2 . 1 1 106 106 ASN C C 106 176.700 176.700 177.113 -0.413 18978 1387 1 2 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.287 -0.787 18978 1388 1 2 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.459 -0.859 18978 1389 1 2 . 1 1 106 106 ASN H H 106 7.710 7.710 8.285 -0.575 18978 1390 1 2 . 1 1 107 107 GLN N N 107 114.500 114.500 119.985 -5.485 18978 1391 1 2 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.027 -0.137 18978 1392 1 2 . 1 1 107 107 GLN C C 107 173.700 173.700 176.065 -2.365 18978 1393 1 2 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.099 -1.589 18978 1394 1 2 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.388 -1.298 18978 1395 1 2 . 1 1 107 107 GLN H H 107 8.040 8.040 8.826 -0.786 18978 1396 1 2 . 1 1 108 108 ASN N N 108 115.800 115.800 115.760 0.040 18978 1397 1 2 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.638 0.032 18978 1398 1 2 . 1 1 108 108 ASN C C 108 173.600 173.600 175.083 -1.483 18978 1399 1 2 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.729 -0.639 18978 1400 1 2 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.281 0.579 18978 1401 1 2 . 1 1 108 108 ASN H H 108 7.440 7.440 7.984 -0.544 18978 1402 1 2 . 1 1 109 109 LEU N N 109 115.200 115.200 118.566 -3.366 18978 1403 1 2 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.817 -0.287 18978 1404 1 2 . 1 1 109 109 LEU C C 109 174.700 174.700 175.132 -0.432 18978 1405 1 2 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.115 -0.346 18978 1406 1 2 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.160 -1.460 18978 1407 1 2 . 1 1 109 109 LEU H H 109 8.220 8.220 7.614 0.606 18978 1408 1 2 . 1 1 110 110 GLU N N 110 117.600 117.600 118.866 -1.266 18978 1409 1 2 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.723 -0.303 18978 1410 1 2 . 1 1 110 110 GLU C C 110 175.800 175.800 175.828 -0.028 18978 1411 1 2 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.829 0.351 18978 1412 1 2 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.630 -2.810 18978 1413 1 2 . 1 1 110 110 GLU H H 110 7.550 7.550 8.220 -0.670 18978 1414 1 2 . 1 1 111 111 GLU N N 111 125.900 125.900 122.994 2.906 18978 1415 1 2 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.261 -0.431 18978 1416 1 2 . 1 1 111 111 GLU C C 111 175.400 175.400 176.121 -0.721 18978 1417 1 2 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.230 -0.590 18978 1418 1 2 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.884 0.737 18978 1419 1 2 . 1 1 111 111 GLU H H 111 8.350 8.350 8.930 -0.580 18978 1420 1 2 . 1 1 112 112 LEU N N 112 128.000 128.000 128.398 -0.398 18978 1421 1 2 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.490 -0.220 18978 1422 1 2 . 1 1 112 112 LEU C C 112 176.100 176.100 176.462 -0.362 18978 1423 1 2 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.276 -0.246 18978 1424 1 2 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.186 -1.416 18978 1425 1 2 . 1 1 112 112 LEU H H 112 9.110 9.110 8.260 0.850 18978 1426 1 2 . 1 1 113 113 TYR N N 113 116.300 116.300 119.516 -3.216 18978 1427 1 2 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.654 -0.324 18978 1428 1 2 . 1 1 113 113 TYR C C 113 171.700 171.700 172.974 -1.274 18978 1429 1 2 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.489 0.471 18978 1430 1 2 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.146 -0.426 18978 1431 1 2 . 1 1 113 113 TYR H H 113 7.250 7.250 7.470 -0.220 18978 1432 1 2 . 1 1 114 114 ARG N N 114 126.200 126.200 127.171 -0.971 18978 1433 1 2 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.930 0.090 18978 1434 1 2 . 1 1 114 114 ARG C C 114 173.500 173.500 174.409 -0.909 18978 1435 1 2 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.794 -0.174 18978 1436 1 2 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.494 0.956 18978 1437 1 2 . 1 1 114 114 ARG H H 114 6.560 6.560 8.042 -1.482 18978 1438 1 2 . 1 1 115 115 GLY N N 115 111.300 111.300 112.882 -1.582 18978 1439 1 2 . 1 1 115 115 GLY C C 115 178.100 178.100 171.080 7.020 18978 1440 1 2 . 1 1 115 115 GLY CA C 115 44.410 44.410 45.143 -0.733 18978 1441 1 2 . 1 1 115 115 GLY H H 115 8.320 8.320 8.391 -0.071 18978 1442 1 2 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.595 0.175 18978 1443 1 2 . 1 1 116 116 LYS C C 116 174.400 174.400 174.850 -0.450 18978 1444 1 2 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.026 0.164 18978 1445 1 2 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.891 -0.551 18978 1446 1 2 . 1 1 117 117 PHE N N 117 125.800 125.800 123.869 1.931 18978 1447 1 2 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.825 -0.275 18978 1448 1 2 . 1 1 117 117 PHE C C 117 174.000 174.000 176.040 -2.040 18978 1449 1 2 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.039 -0.190 18978 1450 1 2 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.718 0.442 18978 1451 1 2 . 1 1 117 117 PHE H H 117 8.090 8.090 8.631 -0.541 18978 1452 1 2 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.831 -0.171 18978 1453 1 2 . 1 1 119 119 ASN C C 119 173.500 173.500 174.081 -0.581 18978 1454 1 2 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.499 -0.019 18978 1455 1 2 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.533 -0.344 18978 1456 1 2 . 1 1 120 120 LEU N N 120 120.200 120.200 121.903 -1.703 18978 1457 1 2 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.116 -0.286 18978 1458 1 2 . 1 1 120 120 LEU C C 120 175.000 175.000 176.130 -1.130 18978 1459 1 2 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.185 0.085 18978 1460 1 2 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.109 0.661 18978 1461 1 2 . 1 1 120 120 LEU H H 120 6.900 6.900 7.684 -0.784 18978 1462 1 2 . 1 1 121 121 ASN N N 121 124.200 124.200 124.770 -0.570 18978 1463 1 2 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.928 -0.038 18978 1464 1 2 . 1 1 121 121 ASN C C 121 174.300 174.300 174.653 -0.353 18978 1465 1 2 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.522 -0.642 18978 1466 1 2 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.134 0.306 18978 1467 1 2 . 1 1 121 121 ASN H H 121 8.900 8.900 8.663 0.237 18978 1468 1 2 . 1 1 122 122 LYS N N 122 115.100 115.100 119.542 -4.442 18978 1469 1 2 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.588 -0.118 18978 1470 1 2 . 1 1 122 122 LYS C C 122 172.500 172.500 174.120 -1.620 18978 1471 1 2 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.492 0.208 18978 1472 1 2 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.548 -0.888 18978 1473 1 2 . 1 1 122 122 LYS H H 122 7.410 7.410 7.829 -0.419 18978 1474 1 2 . 1 1 123 123 VAL N N 123 121.500 121.500 121.316 0.184 18978 1475 1 2 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.483 0.337 18978 1476 1 2 . 1 1 123 123 VAL C C 123 173.400 173.400 175.254 -1.854 18978 1477 1 2 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.155 -0.465 18978 1478 1 2 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.218 0.932 18978 1479 1 2 . 1 1 123 123 VAL H H 123 7.730 7.730 8.393 -0.663 18978 1480 1 2 . 1 1 124 124 LEU N N 124 126.600 126.600 129.535 -2.935 18978 1481 1 2 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.844 -0.124 18978 1482 1 2 . 1 1 124 124 LEU C C 124 174.200 174.200 175.043 -0.843 18978 1483 1 2 . 1 1 124 124 LEU CA C 124 53.380 53.380 53.982 -0.602 18978 1484 1 2 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.947 0.163 18978 1485 1 2 . 1 1 124 124 LEU H H 124 9.060 9.060 8.451 0.609 18978 1486 1 2 . 1 1 125 125 VAL N N 125 120.300 120.300 121.759 -1.459 18978 1487 1 2 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.438 0.232 18978 1488 1 2 . 1 1 125 125 VAL C C 125 174.700 174.700 174.704 -0.004 18978 1489 1 2 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.193 -0.903 18978 1490 1 2 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.197 0.053 18978 1491 1 2 . 1 1 125 125 VAL H H 125 8.030 8.030 8.437 -0.407 18978 1492 1 2 . 1 1 126 126 ARG N N 126 127.100 127.100 128.327 -1.227 18978 1493 1 2 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.786 -0.316 18978 1494 1 2 . 1 1 126 126 ARG C C 126 174.400 174.400 175.540 -1.140 18978 1495 1 2 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.878 1.952 18978 1496 1 2 . 1 1 126 126 ARG CB C 126 31.300 31.300 31.689 -0.389 18978 1497 1 2 . 1 1 126 126 ARG H H 126 8.630 8.630 8.429 0.201 18978 1498 1 2 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.256 0.034 18978 1499 1 2 . 1 1 127 127 ASN C C 127 172.600 172.600 174.162 -1.562 18978 1500 1 2 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.395 -0.335 18978 1501 1 2 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.909 -0.959 18978 1502 1 2 . 1 1 128 128 ASP N N 128 117.600 117.600 120.681 -3.081 18978 1503 1 2 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.657 -0.207 18978 1504 1 2 . 1 1 128 128 ASP C C 128 174.000 174.000 174.839 -0.839 18978 1505 1 2 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.513 0.007 18978 1506 1 2 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.641 -1.831 18978 1507 1 2 . 1 1 128 128 ASP H H 128 8.560 8.560 8.270 0.290 18978 1508 1 2 . 1 1 129 129 LEU N N 129 121.500 121.500 122.223 -0.723 18978 1509 1 2 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.720 0.350 18978 1510 1 2 . 1 1 129 129 LEU C C 129 174.800 174.800 174.388 0.412 18978 1511 1 2 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.296 -0.496 18978 1512 1 2 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.468 -0.348 18978 1513 1 2 . 1 1 129 129 LEU H H 129 7.730 7.730 7.854 -0.124 18978 1514 1 2 . 1 1 130 130 VAL N N 130 120.600 120.600 121.521 -0.921 18978 1515 1 2 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.812 -0.102 18978 1516 1 2 . 1 1 130 130 VAL C C 130 173.500 173.500 173.592 -0.092 18978 1517 1 2 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.381 1.139 18978 1518 1 2 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.288 -0.538 18978 1519 1 2 . 1 1 130 130 VAL H H 130 8.410 8.410 8.170 0.240 18978 1520 1 2 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.803 -0.203 18978 1521 1 2 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.526 0.064 18978 1522 1 2 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.765 -1.905 18978 1523 1 2 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.373 -0.073 18978 1524 1 2 . 1 1 132 132 ILE C C 132 174.900 174.900 174.426 0.474 18978 1525 1 2 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.236 0.244 18978 1526 1 2 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.478 -0.428 18978 1527 1 2 . 1 1 133 133 ILE N N 133 126.200 126.200 127.004 -0.804 18978 1528 1 2 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.450 0.220 18978 1529 1 2 . 1 1 133 133 ILE C C 133 174.200 174.200 174.157 0.043 18978 1530 1 2 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.547 1.383 18978 1531 1 2 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.584 1.536 18978 1532 1 2 . 1 1 133 133 ILE H H 133 8.490 8.490 8.568 -0.078 18978 1533 1 2 . 1 1 134 134 ASP N N 134 130.100 130.100 125.647 4.453 18978 1534 1 2 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.211 -0.261 18978 1535 1 2 . 1 1 134 134 ASP C C 134 174.600 174.600 176.593 -1.993 18978 1536 1 2 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.104 0.286 18978 1537 1 2 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.931 -0.561 18978 1538 1 2 . 1 1 134 134 ASP H H 134 8.360 8.360 8.165 0.195 18978 1539 1 2 . 1 1 135 135 GLU N N 135 118.000 118.000 121.242 -3.242 18978 1540 1 2 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.935 0.275 18978 1541 1 2 . 1 1 135 135 GLU C C 135 176.200 176.200 177.192 -0.992 18978 1542 1 2 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.130 -0.380 18978 1543 1 2 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.728 0.562 18978 1544 1 2 . 1 1 135 135 GLU H H 135 7.840 7.840 8.637 -0.797 18978 1545 1 2 . 1 1 136 136 GLN N N 136 115.200 115.200 114.610 0.590 18978 1546 1 2 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.305 0.565 18978 1547 1 2 . 1 1 136 136 GLN C C 136 174.900 174.900 175.557 -0.657 18978 1548 1 2 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.600 -1.100 18978 1549 1 2 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.253 0.677 18978 1550 1 2 . 1 1 136 136 GLN H H 136 8.860 8.860 7.941 0.919 18978 1551 1 2 . 1 1 137 137 LYS N N 137 118.100 118.100 117.609 0.491 18978 1552 1 2 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.489 0.420 18978 1553 1 2 . 1 1 137 137 LYS C C 137 172.400 172.400 174.059 -1.659 18978 1554 1 2 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.001 0.899 18978 1555 1 2 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.910 -0.370 18978 1556 1 2 . 1 1 137 137 LYS H H 137 8.260 8.260 8.003 0.257 18978 1557 1 2 . 1 1 138 138 LEU N N 138 123.500 123.500 124.436 -0.936 18978 1558 1 2 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.652 0.208 18978 1559 1 2 . 1 1 138 138 LEU C C 138 174.400 174.400 176.268 -1.868 18978 1560 1 2 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.921 -0.411 18978 1561 1 2 . 1 1 138 138 LEU CB C 138 44.960 44.960 43.579 1.381 18978 1562 1 2 . 1 1 138 138 LEU H H 138 8.410 8.410 8.534 -0.124 18978 1563 1 2 . 1 1 139 139 THR N N 139 123.600 123.600 123.844 -0.244 18978 1564 1 2 . 1 1 139 139 THR HA H 139 4.830 4.830 4.621 0.209 18978 1565 1 2 . 1 1 139 139 THR C C 139 171.400 171.400 172.562 -1.162 18978 1566 1 2 . 1 1 139 139 THR CA C 139 62.240 62.240 61.728 0.512 18978 1567 1 2 . 1 1 139 139 THR CB C 139 70.120 70.120 69.542 0.578 18978 1568 1 2 . 1 1 139 139 THR H H 139 8.820 8.820 8.257 0.563 18978 1569 1 2 . 1 1 140 140 LEU N N 140 130.500 130.500 129.457 1.043 18978 1570 1 2 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.620 0.410 18978 1571 1 2 . 1 1 140 140 LEU C C 140 173.700 173.700 175.333 -1.633 18978 1572 1 2 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.114 -0.734 18978 1573 1 2 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.707 1.183 18978 1574 1 2 . 1 1 140 140 LEU H H 140 9.250 9.250 8.698 0.552 18978 1575 1 2 . 1 1 141 141 ILE N N 141 127.300 127.300 127.071 0.229 18978 1576 1 2 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.336 0.324 18978 1577 1 2 . 1 1 141 141 ILE C C 141 174.200 174.200 173.899 0.301 18978 1578 1 2 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.397 -0.887 18978 1579 1 2 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.452 -1.601 18978 1580 1 2 . 1 1 141 141 ILE H H 141 9.140 9.140 8.425 0.715 18978 1581 1 2 . 1 1 142 142 ARG N N 142 126.500 126.500 128.214 -1.714 18978 1582 1 2 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.588 0.292 18978 1583 1 2 . 1 1 142 142 ARG C C 142 175.100 175.100 175.505 -0.405 18978 1584 1 2 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.379 -0.839 18978 1585 1 2 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.035 -0.535 18978 1586 1 2 . 1 1 142 142 ARG H H 142 8.550 8.550 8.718 -0.168 18978 1587 1 3 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.774 -0.774 18978 1588 1 3 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.689 0.461 18978 1589 1 3 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.196 0.194 18978 1590 1 3 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.343 -2.613 18978 1591 1 3 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.189 -0.149 18978 1592 1 3 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.675 0.205 18978 1593 1 3 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.398 -0.288 18978 1594 1 3 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.826 -0.066 18978 1595 1 3 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.254 -0.384 18978 1596 1 3 . 1 1 0 0 ILE N N 0 125.570 125.570 127.958 -2.388 18978 1597 1 3 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.518 -0.428 18978 1598 1 3 . 1 1 0 0 ILE C C 0 175.850 175.850 175.253 0.597 18978 1599 1 3 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.495 0.305 18978 1600 1 3 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.748 -1.278 18978 1601 1 3 . 1 1 0 0 ILE H H 0 8.230 8.230 8.399 -0.169 18978 1602 1 3 . 1 1 1 1 MET N N 1 125.930 125.930 125.630 0.300 18978 1603 1 3 . 1 1 1 1 MET HA H 1 4.540 4.540 4.791 -0.251 18978 1604 1 3 . 1 1 1 1 MET C C 1 174.830 174.830 175.250 -0.420 18978 1605 1 3 . 1 1 1 1 MET CA C 1 54.790 54.790 55.199 -0.409 18978 1606 1 3 . 1 1 1 1 MET CB C 1 32.640 32.640 33.413 -0.773 18978 1607 1 3 . 1 1 1 1 MET H H 1 8.370 8.370 8.437 -0.067 18978 1608 1 3 . 1 1 2 2 SER N N 2 116.400 116.400 118.408 -2.008 18978 1609 1 3 . 1 1 2 2 SER HA H 2 5.030 5.030 5.110 -0.080 18978 1610 1 3 . 1 1 2 2 SER C C 2 174.330 174.330 173.800 0.530 18978 1611 1 3 . 1 1 2 2 SER CA C 2 57.320 57.320 57.058 0.262 18978 1612 1 3 . 1 1 2 2 SER CB C 2 64.790 64.790 65.744 -0.954 18978 1613 1 3 . 1 1 2 2 SER H H 2 7.990 7.990 8.478 -0.488 18978 1614 1 3 . 1 1 3 3 GLU N N 3 123.670 123.670 122.387 1.283 18978 1615 1 3 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.407 -0.157 18978 1616 1 3 . 1 1 3 3 GLU C C 3 172.980 172.980 174.357 -1.377 18978 1617 1 3 . 1 1 3 3 GLU CA C 3 55.390 55.390 56.037 -0.647 18978 1618 1 3 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.113 -0.203 18978 1619 1 3 . 1 1 3 3 GLU H H 3 9.430 9.430 8.580 0.850 18978 1620 1 3 . 1 1 4 4 LEU N N 4 125.350 125.350 124.581 0.769 18978 1621 1 3 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.086 -0.216 18978 1622 1 3 . 1 1 4 4 LEU C C 4 174.000 174.000 174.733 -0.733 18978 1623 1 3 . 1 1 4 4 LEU CA C 4 53.020 53.020 54.160 -1.140 18978 1624 1 3 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.133 -0.093 18978 1625 1 3 . 1 1 4 4 LEU H H 4 8.930 8.930 8.501 0.429 18978 1626 1 3 . 1 1 5 5 LYS N N 5 124.640 124.640 126.293 -1.653 18978 1627 1 3 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.029 0.331 18978 1628 1 3 . 1 1 5 5 LYS C C 5 175.660 175.660 175.292 0.368 18978 1629 1 3 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.064 -0.124 18978 1630 1 3 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.337 -0.057 18978 1631 1 3 . 1 1 5 5 LYS H H 5 8.840 8.840 8.345 0.495 18978 1632 1 3 . 1 1 6 6 LEU N N 6 123.460 123.460 124.941 -1.481 18978 1633 1 3 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.088 0.342 18978 1634 1 3 . 1 1 6 6 LEU C C 6 174.630 174.630 175.243 -0.613 18978 1635 1 3 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.550 -0.650 18978 1636 1 3 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.249 1.661 18978 1637 1 3 . 1 1 6 6 LEU H H 6 8.820 8.820 8.319 0.501 18978 1638 1 3 . 1 1 7 7 LYS N N 7 122.230 122.230 121.963 0.267 18978 1639 1 3 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.360 0.130 18978 1640 1 3 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.663 -0.393 18978 1641 1 3 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.922 0.578 18978 1642 1 3 . 1 1 7 7 LYS H H 7 9.110 9.110 8.570 0.540 18978 1643 1 3 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.562 -0.462 18978 1644 1 3 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.307 0.133 18978 1645 1 3 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.898 -2.258 18978 1646 1 3 . 1 1 9 9 LEU N N 9 123.250 123.250 122.024 1.226 18978 1647 1 3 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.404 -0.084 18978 1648 1 3 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.474 1.206 18978 1649 1 3 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.137 -1.377 18978 1650 1 3 . 1 1 9 9 LEU H H 9 8.490 8.490 7.850 0.640 18978 1651 1 3 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.448 0.082 18978 1652 1 3 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.082 0.798 18978 1653 1 3 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.147 -0.727 18978 1654 1 3 . 1 1 11 11 LYS N N 11 119.160 119.160 121.682 -2.522 18978 1655 1 3 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.337 -0.227 18978 1656 1 3 . 1 1 11 11 LYS C C 11 175.680 175.680 175.918 -0.238 18978 1657 1 3 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.215 -0.005 18978 1658 1 3 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.312 -1.652 18978 1659 1 3 . 1 1 11 11 LYS H H 11 8.180 8.180 8.395 -0.215 18978 1660 1 3 . 1 1 12 12 VAL N N 12 121.820 121.820 124.733 -2.913 18978 1661 1 3 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.281 -0.001 18978 1662 1 3 . 1 1 12 12 VAL C C 12 173.690 173.690 174.790 -1.100 18978 1663 1 3 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.766 -0.936 18978 1664 1 3 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.827 -0.277 18978 1665 1 3 . 1 1 12 12 VAL H H 12 7.530 7.530 8.278 -0.748 18978 1666 1 3 . 1 1 13 13 GLU N N 13 125.610 125.610 124.879 0.731 18978 1667 1 3 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.592 -0.262 18978 1668 1 3 . 1 1 13 13 GLU C C 13 175.390 175.390 175.698 -0.308 18978 1669 1 3 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.716 -0.496 18978 1670 1 3 . 1 1 13 13 GLU CB C 13 29.970 29.970 29.993 -0.023 18978 1671 1 3 . 1 1 13 13 GLU H H 13 8.270 8.270 8.385 -0.115 18978 1672 1 3 . 1 1 14 14 LEU N N 14 125.880 125.880 126.521 -0.641 18978 1673 1 3 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.537 -0.017 18978 1674 1 3 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.247 -0.587 18978 1675 1 3 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.092 -0.342 18978 1676 1 3 . 1 1 14 14 LEU H H 14 8.480 8.480 8.242 0.238 18978 1677 1 3 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.628 0.132 18978 1678 1 3 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.873 -0.543 18978 1679 1 3 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.368 -0.308 18978 1680 1 3 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.239 0.151 18978 1681 1 3 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.042 -0.492 18978 1682 1 3 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.825 -0.055 18978 1683 1 3 . 1 1 17 17 ASP N N 17 115.820 115.820 115.051 0.769 18978 1684 1 3 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.569 0.051 18978 1685 1 3 . 1 1 17 17 ASP C C 17 177.100 177.100 176.968 0.132 18978 1686 1 3 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.383 -0.493 18978 1687 1 3 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.236 -0.116 18978 1688 1 3 . 1 1 17 17 ASP H H 17 8.560 8.560 8.691 -0.131 18978 1689 1 3 . 1 1 18 18 PHE N N 18 119.610 119.610 122.067 -2.457 18978 1690 1 3 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.133 0.047 18978 1691 1 3 . 1 1 18 18 PHE C C 18 176.740 176.740 176.676 0.064 18978 1692 1 3 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.982 -0.962 18978 1693 1 3 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.383 -0.153 18978 1694 1 3 . 1 1 18 18 PHE H H 18 7.940 7.940 7.780 0.160 18978 1695 1 3 . 1 1 19 19 VAL N N 19 116.370 116.370 118.131 -1.761 18978 1696 1 3 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.532 -0.182 18978 1697 1 3 . 1 1 19 19 VAL C C 19 176.400 176.400 177.597 -1.197 18978 1698 1 3 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.941 -0.431 18978 1699 1 3 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.265 -0.245 18978 1700 1 3 . 1 1 19 19 VAL H H 19 8.010 8.010 8.122 -0.112 18978 1701 1 3 . 1 1 20 20 ASP N N 20 119.190 119.190 119.744 -0.554 18978 1702 1 3 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.359 -0.049 18978 1703 1 3 . 1 1 20 20 ASP C C 20 178.360 178.360 178.788 -0.428 18978 1704 1 3 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.430 -0.320 18978 1705 1 3 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.050 0.400 18978 1706 1 3 . 1 1 20 20 ASP H H 20 7.420 7.420 7.680 -0.260 18978 1707 1 3 . 1 1 21 21 VAL N N 21 119.830 119.830 120.334 -0.504 18978 1708 1 3 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.588 -0.078 18978 1709 1 3 . 1 1 21 21 VAL C C 21 178.100 178.100 177.796 0.304 18978 1710 1 3 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.339 -0.769 18978 1711 1 3 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.470 -0.060 18978 1712 1 3 . 1 1 21 21 VAL H H 21 7.190 7.190 7.414 -0.224 18978 1713 1 3 . 1 1 22 22 ILE N N 22 118.490 118.490 119.123 -0.633 18978 1714 1 3 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.432 -0.262 18978 1715 1 3 . 1 1 22 22 ILE C C 22 176.660 176.660 178.076 -1.416 18978 1716 1 3 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.767 1.453 18978 1717 1 3 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.225 1.274 18978 1718 1 3 . 1 1 22 22 ILE H H 22 7.660 7.660 7.503 0.157 18978 1719 1 3 . 1 1 23 23 ARG N N 23 118.260 118.260 120.281 -2.021 18978 1720 1 3 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.918 -0.538 18978 1721 1 3 . 1 1 23 23 ARG C C 23 178.060 178.060 178.880 -0.820 18978 1722 1 3 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.960 0.610 18978 1723 1 3 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.120 -0.050 18978 1724 1 3 . 1 1 23 23 ARG H H 23 7.830 7.830 7.691 0.139 18978 1725 1 3 . 1 1 24 24 ILE N N 24 116.750 116.750 118.188 -1.438 18978 1726 1 3 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.715 0.005 18978 1727 1 3 . 1 1 24 24 ILE C C 24 179.090 179.090 177.055 2.035 18978 1728 1 3 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.656 -0.596 18978 1729 1 3 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.901 0.128 18978 1730 1 3 . 1 1 24 24 ILE H H 24 7.350 7.350 7.539 -0.189 18978 1731 1 3 . 1 1 25 25 LYS N N 25 118.700 118.700 117.823 0.877 18978 1732 1 3 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.039 0.051 18978 1733 1 3 . 1 1 25 25 LYS C C 25 178.560 178.560 178.375 0.185 18978 1734 1 3 . 1 1 25 25 LYS CA C 25 57.650 57.650 57.597 0.053 18978 1735 1 3 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.698 -0.608 18978 1736 1 3 . 1 1 25 25 LYS H H 25 7.880 7.880 7.538 0.342 18978 1737 1 3 . 1 1 26 26 LEU N N 26 116.380 116.380 118.861 -2.481 18978 1738 1 3 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.186 0.044 18978 1739 1 3 . 1 1 26 26 LEU C C 26 175.880 175.880 177.113 -1.233 18978 1740 1 3 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.975 -1.885 18978 1741 1 3 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.628 0.682 18978 1742 1 3 . 1 1 26 26 LEU H H 26 7.860 7.860 7.879 -0.019 18978 1743 1 3 . 1 1 27 27 GLN N N 27 119.210 119.210 117.099 2.111 18978 1744 1 3 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.832 -0.302 18978 1745 1 3 . 1 1 27 27 GLN C C 27 177.480 177.480 177.141 0.339 18978 1746 1 3 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.358 1.012 18978 1747 1 3 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.726 -0.426 18978 1748 1 3 . 1 1 27 27 GLN H H 27 7.190 7.190 7.593 -0.403 18978 1749 1 3 . 1 1 28 28 GLY N N 28 113.490 113.490 113.496 -0.006 18978 1750 1 3 . 1 1 28 28 GLY C C 28 174.070 174.070 174.387 -0.317 18978 1751 1 3 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.904 0.376 18978 1752 1 3 . 1 1 28 28 GLY H H 28 8.940 8.940 8.673 0.267 18978 1753 1 3 . 1 1 29 29 LYS N N 29 122.060 122.060 122.319 -0.259 18978 1754 1 3 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.607 -0.207 18978 1755 1 3 . 1 1 29 29 LYS C C 29 175.560 175.560 175.681 -0.121 18978 1756 1 3 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.231 0.429 18978 1757 1 3 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.043 -1.173 18978 1758 1 3 . 1 1 29 29 LYS H H 29 8.350 8.350 7.861 0.489 18978 1759 1 3 . 1 1 30 30 THR N N 30 118.150 118.150 117.301 0.849 18978 1760 1 3 . 1 1 30 30 THR HA H 30 5.330 5.330 5.193 0.137 18978 1761 1 3 . 1 1 30 30 THR C C 30 174.860 174.860 174.288 0.572 18978 1762 1 3 . 1 1 30 30 THR CA C 30 62.040 62.040 61.413 0.627 18978 1763 1 3 . 1 1 30 30 THR CB C 30 69.420 69.420 70.244 -0.824 18978 1764 1 3 . 1 1 30 30 THR H H 30 8.410 8.410 8.317 0.093 18978 1765 1 3 . 1 1 31 31 VAL N N 31 122.510 122.510 121.515 0.995 18978 1766 1 3 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.573 -0.003 18978 1767 1 3 . 1 1 31 31 VAL C C 31 172.970 172.970 173.608 -0.638 18978 1768 1 3 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.208 -0.758 18978 1769 1 3 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.113 0.767 18978 1770 1 3 . 1 1 31 31 VAL H H 31 9.140 9.140 8.834 0.306 18978 1771 1 3 . 1 1 32 32 ARG N N 32 120.640 120.640 120.901 -0.261 18978 1772 1 3 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.857 -0.107 18978 1773 1 3 . 1 1 32 32 ARG C C 32 175.650 175.650 175.638 0.012 18978 1774 1 3 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.333 -0.683 18978 1775 1 3 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.701 -0.831 18978 1776 1 3 . 1 1 32 32 ARG H H 32 8.420 8.420 8.804 -0.384 18978 1777 1 3 . 1 1 33 33 THR N N 33 118.590 118.590 117.082 1.508 18978 1778 1 3 . 1 1 33 33 THR HA H 33 3.410 3.410 3.813 -0.403 18978 1779 1 3 . 1 1 33 33 THR C C 33 175.020 175.020 175.711 -0.691 18978 1780 1 3 . 1 1 33 33 THR CA C 33 65.660 65.660 64.845 0.815 18978 1781 1 3 . 1 1 33 33 THR CB C 33 69.400 69.400 68.744 0.656 18978 1782 1 3 . 1 1 33 33 THR H H 33 8.370 8.370 8.564 -0.194 18978 1783 1 3 . 1 1 34 34 GLY N N 34 117.350 117.350 115.354 1.996 18978 1784 1 3 . 1 1 34 34 GLY C C 34 174.350 174.350 174.536 -0.186 18978 1785 1 3 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.834 0.166 18978 1786 1 3 . 1 1 34 34 GLY H H 34 9.090 9.090 8.581 0.509 18978 1787 1 3 . 1 1 35 35 ASP N N 35 122.240 122.240 123.508 -1.268 18978 1788 1 3 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.645 -0.175 18978 1789 1 3 . 1 1 35 35 ASP C C 35 174.570 174.570 175.355 -0.785 18978 1790 1 3 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.623 -0.053 18978 1791 1 3 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.926 -0.246 18978 1792 1 3 . 1 1 35 35 ASP H H 35 8.010 8.010 7.812 0.198 18978 1793 1 3 . 1 1 36 36 VAL N N 36 119.860 119.860 120.757 -0.897 18978 1794 1 3 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.724 0.226 18978 1795 1 3 . 1 1 36 36 VAL C C 36 176.330 176.330 175.805 0.525 18978 1796 1 3 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.248 0.462 18978 1797 1 3 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.588 -0.688 18978 1798 1 3 . 1 1 36 36 VAL H H 36 8.330 8.330 8.257 0.073 18978 1799 1 3 . 1 1 37 37 ILE N N 37 124.990 124.990 127.945 -2.955 18978 1800 1 3 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.526 0.104 18978 1801 1 3 . 1 1 37 37 ILE C C 37 174.400 174.400 174.926 -0.526 18978 1802 1 3 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.422 -1.433 18978 1803 1 3 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.453 0.357 18978 1804 1 3 . 1 1 37 37 ILE H H 37 9.160 9.160 8.706 0.454 18978 1805 1 3 . 1 1 38 38 GLY N N 38 112.060 112.060 112.797 -0.737 18978 1806 1 3 . 1 1 38 38 GLY C C 38 172.920 172.920 173.681 -0.761 18978 1807 1 3 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.376 0.204 18978 1808 1 3 . 1 1 38 38 GLY H H 38 8.660 8.660 8.454 0.206 18978 1809 1 3 . 1 1 39 39 ILE N N 39 123.220 123.220 124.024 -0.804 18978 1810 1 3 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.518 -0.148 18978 1811 1 3 . 1 1 39 39 ILE C C 39 174.500 174.500 175.466 -0.966 18978 1812 1 3 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.458 -0.908 18978 1813 1 3 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.808 -0.508 18978 1814 1 3 . 1 1 39 39 ILE H H 39 8.810 8.810 8.364 0.446 18978 1815 1 3 . 1 1 40 40 SER N N 40 121.430 121.430 121.840 -0.410 18978 1816 1 3 . 1 1 40 40 SER HA H 40 4.830 4.830 4.815 0.015 18978 1817 1 3 . 1 1 40 40 SER C C 40 174.130 174.130 174.064 0.066 18978 1818 1 3 . 1 1 40 40 SER CA C 40 57.770 57.770 57.900 -0.130 18978 1819 1 3 . 1 1 40 40 SER CB C 40 63.040 63.040 63.761 -0.721 18978 1820 1 3 . 1 1 40 40 SER H H 40 8.540 8.540 8.668 -0.128 18978 1821 1 3 . 1 1 41 41 ILE N N 41 127.060 127.060 127.039 0.021 18978 1822 1 3 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.368 -0.078 18978 1823 1 3 . 1 1 41 41 ILE C C 41 175.280 175.280 175.447 -0.167 18978 1824 1 3 . 1 1 41 41 ILE CA C 41 60.250 60.250 61.129 -0.879 18978 1825 1 3 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.063 -0.223 18978 1826 1 3 . 1 1 41 41 ILE H H 41 8.930 8.930 8.430 0.500 18978 1827 1 3 . 1 1 42 42 LEU N N 42 126.770 126.770 129.443 -2.673 18978 1828 1 3 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.989 -0.099 18978 1829 1 3 . 1 1 42 42 LEU C C 42 177.130 177.130 177.285 -0.155 18978 1830 1 3 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.701 -0.141 18978 1831 1 3 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.526 -1.157 18978 1832 1 3 . 1 1 42 42 LEU H H 42 9.380 9.380 8.947 0.433 18978 1833 1 3 . 1 1 43 43 GLY N N 43 103.820 103.820 103.943 -0.123 18978 1834 1 3 . 1 1 43 43 GLY C C 43 173.690 173.690 173.883 -0.193 18978 1835 1 3 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.991 0.349 18978 1836 1 3 . 1 1 43 43 GLY H H 43 8.310 8.310 8.421 -0.111 18978 1837 1 3 . 1 1 44 44 LYS N N 44 121.160 121.160 122.848 -1.688 18978 1838 1 3 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.446 0.114 18978 1839 1 3 . 1 1 44 44 LYS C C 44 174.550 174.550 175.274 -0.724 18978 1840 1 3 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.529 -1.389 18978 1841 1 3 . 1 1 44 44 LYS CB C 44 34.620 34.620 33.686 0.934 18978 1842 1 3 . 1 1 44 44 LYS H H 44 7.730 7.730 7.618 0.112 18978 1843 1 3 . 1 1 45 45 GLU N N 45 124.090 124.090 127.361 -3.271 18978 1844 1 3 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.464 -0.184 18978 1845 1 3 . 1 1 45 45 GLU C C 45 175.730 175.730 175.444 0.286 18978 1846 1 3 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.260 0.470 18978 1847 1 3 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.802 -0.732 18978 1848 1 3 . 1 1 45 45 GLU H H 45 8.490 8.490 8.744 -0.254 18978 1849 1 3 . 1 1 46 46 VAL N N 46 129.960 129.960 127.945 2.015 18978 1850 1 3 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.333 -0.303 18978 1851 1 3 . 1 1 46 46 VAL C C 46 174.610 174.610 173.727 0.883 18978 1852 1 3 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.234 1.446 18978 1853 1 3 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.894 -1.014 18978 1854 1 3 . 1 1 46 46 VAL H H 46 8.920 8.920 8.564 0.356 18978 1855 1 3 . 1 1 47 47 LYS N N 47 124.790 124.790 128.266 -3.476 18978 1856 1 3 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.806 0.314 18978 1857 1 3 . 1 1 47 47 LYS C C 47 175.380 175.380 175.492 -0.112 18978 1858 1 3 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.477 -0.277 18978 1859 1 3 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.467 1.203 18978 1860 1 3 . 1 1 47 47 LYS H H 47 7.860 7.860 8.386 -0.526 18978 1861 1 3 . 1 1 48 48 PHE N N 48 118.270 118.270 124.118 -5.848 18978 1862 1 3 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.913 0.047 18978 1863 1 3 . 1 1 48 48 PHE C C 48 173.950 173.950 174.761 -0.811 18978 1864 1 3 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.004 -1.094 18978 1865 1 3 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.912 1.038 18978 1866 1 3 . 1 1 48 48 PHE H H 48 9.270 9.270 8.913 0.357 18978 1867 1 3 . 1 1 49 49 LYS N N 49 121.960 121.960 123.419 -1.459 18978 1868 1 3 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.893 0.017 18978 1869 1 3 . 1 1 49 49 LYS C C 49 176.230 176.230 175.565 0.665 18978 1870 1 3 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.472 -0.562 18978 1871 1 3 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.059 -0.889 18978 1872 1 3 . 1 1 49 49 LYS H H 49 9.170 9.170 8.635 0.535 18978 1873 1 3 . 1 1 50 50 VAL N N 50 127.140 127.140 127.518 -0.378 18978 1874 1 3 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.997 0.173 18978 1875 1 3 . 1 1 50 50 VAL C C 50 175.500 175.500 176.184 -0.684 18978 1876 1 3 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.462 -1.482 18978 1877 1 3 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.202 -1.712 18978 1878 1 3 . 1 1 50 50 VAL H H 50 9.400 9.400 8.229 1.171 18978 1879 1 3 . 1 1 51 51 VAL N N 51 132.840 132.840 128.727 4.113 18978 1880 1 3 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.866 -0.216 18978 1881 1 3 . 1 1 51 51 VAL C C 51 176.440 176.440 176.360 0.080 18978 1882 1 3 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.073 -0.143 18978 1883 1 3 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.300 -0.170 18978 1884 1 3 . 1 1 51 51 VAL H H 51 8.390 8.390 8.216 0.174 18978 1885 1 3 . 1 1 52 52 GLN N N 52 114.500 114.500 114.324 0.176 18978 1886 1 3 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.572 -0.302 18978 1887 1 3 . 1 1 52 52 GLN C C 52 172.290 172.290 173.510 -1.220 18978 1888 1 3 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.030 1.610 18978 1889 1 3 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.844 -1.214 18978 1890 1 3 . 1 1 52 52 GLN H H 52 7.470 7.470 7.504 -0.034 18978 1891 1 3 . 1 1 53 53 ALA N N 53 131.410 131.410 124.238 7.172 18978 1892 1 3 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.919 -0.089 18978 1893 1 3 . 1 1 53 53 ALA C C 53 174.270 174.270 175.427 -1.157 18978 1894 1 3 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.836 -0.036 18978 1895 1 3 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.304 -2.204 18978 1896 1 3 . 1 1 53 53 ALA H H 53 8.200 8.200 8.293 -0.093 18978 1897 1 3 . 1 1 54 54 TYR N N 54 124.140 124.140 124.364 -0.224 18978 1898 1 3 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.996 -0.456 18978 1899 1 3 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.564 -1.294 18978 1900 1 3 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.163 -0.803 18978 1901 1 3 . 1 1 54 54 TYR H H 54 8.860 8.860 8.597 0.263 18978 1902 1 3 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.351 -0.231 18978 1903 1 3 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.292 1.158 18978 1904 1 3 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.177 0.993 18978 1905 1 3 . 1 1 56 56 SER N N 56 106.200 106.200 114.925 -8.725 18978 1906 1 3 . 1 1 56 56 SER HA H 56 4.720 4.720 4.893 -0.173 18978 1907 1 3 . 1 1 56 56 SER CA C 56 54.250 54.250 56.054 -1.804 18978 1908 1 3 . 1 1 56 56 SER CB C 56 64.530 64.530 64.570 -0.040 18978 1909 1 3 . 1 1 56 56 SER H H 56 7.380 7.380 8.140 -0.760 18978 1910 1 3 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.457 0.423 18978 1911 1 3 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.871 0.119 18978 1912 1 3 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.577 2.643 18978 1913 1 3 . 1 1 58 58 LEU N N 58 120.480 120.480 123.167 -2.687 18978 1914 1 3 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.698 -0.268 18978 1915 1 3 . 1 1 58 58 LEU C C 58 174.570 174.570 175.418 -0.848 18978 1916 1 3 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.920 -0.020 18978 1917 1 3 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.317 -1.107 18978 1918 1 3 . 1 1 58 58 LEU H H 58 8.960 8.960 8.466 0.494 18978 1919 1 3 . 1 1 59 59 ARG N N 59 125.180 125.180 125.763 -0.583 18978 1920 1 3 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.515 0.415 18978 1921 1 3 . 1 1 59 59 ARG C C 59 175.460 175.460 175.338 0.122 18978 1922 1 3 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.123 -1.083 18978 1923 1 3 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.296 -0.746 18978 1924 1 3 . 1 1 59 59 ARG H H 59 8.130 8.130 8.547 -0.417 18978 1925 1 3 . 1 1 60 60 VAL N N 60 128.170 128.170 128.450 -0.280 18978 1926 1 3 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.024 -0.614 18978 1927 1 3 . 1 1 60 60 VAL C C 60 175.460 175.460 174.885 0.575 18978 1928 1 3 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.350 1.860 18978 1929 1 3 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.955 -2.115 18978 1930 1 3 . 1 1 60 60 VAL H H 60 8.450 8.450 8.167 0.283 18978 1931 1 3 . 1 1 61 61 GLU N N 61 127.670 127.670 127.323 0.347 18978 1932 1 3 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.591 0.279 18978 1933 1 3 . 1 1 61 61 GLU C C 61 176.960 176.960 176.555 0.405 18978 1934 1 3 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.711 -0.381 18978 1935 1 3 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.260 0.020 18978 1936 1 3 . 1 1 61 61 GLU H H 61 8.620 8.620 7.827 0.793 18978 1937 1 3 . 1 1 62 62 ASP N N 62 121.140 121.140 121.725 -0.585 18978 1938 1 3 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.287 -0.137 18978 1939 1 3 . 1 1 62 62 ASP C C 62 177.460 177.460 177.532 -0.072 18978 1940 1 3 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.599 0.021 18978 1941 1 3 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.843 -0.483 18978 1942 1 3 . 1 1 62 62 ASP H H 62 8.700 8.700 8.767 -0.067 18978 1943 1 3 . 1 1 63 63 ARG N N 63 112.890 112.890 116.705 -3.815 18978 1944 1 3 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.287 -0.007 18978 1945 1 3 . 1 1 63 63 ARG C C 63 176.510 176.510 176.983 -0.473 18978 1946 1 3 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.965 -1.515 18978 1947 1 3 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.304 -0.314 18978 1948 1 3 . 1 1 63 63 ARG H H 63 7.760 7.760 8.179 -0.419 18978 1949 1 3 . 1 1 64 64 THR N N 64 120.650 120.650 116.077 4.573 18978 1950 1 3 . 1 1 64 64 THR HA H 64 4.020 4.020 4.393 -0.373 18978 1951 1 3 . 1 1 64 64 THR C C 64 173.810 173.810 174.382 -0.572 18978 1952 1 3 . 1 1 64 64 THR CA C 64 64.060 64.060 63.314 0.746 18978 1953 1 3 . 1 1 64 64 THR CB C 64 69.350 69.350 69.458 -0.108 18978 1954 1 3 . 1 1 64 64 THR H H 64 7.700 7.700 7.579 0.121 18978 1955 1 3 . 1 1 65 65 LYS N N 65 130.950 130.950 126.651 4.299 18978 1956 1 3 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.481 -0.211 18978 1957 1 3 . 1 1 65 65 LYS C C 65 174.560 174.560 175.334 -0.774 18978 1958 1 3 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.062 0.218 18978 1959 1 3 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.654 -0.534 18978 1960 1 3 . 1 1 65 65 LYS H H 65 8.520 8.520 8.231 0.289 18978 1961 1 3 . 1 1 66 66 ILE N N 66 128.020 128.020 124.897 3.123 18978 1962 1 3 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.875 -0.025 18978 1963 1 3 . 1 1 66 66 ILE C C 66 174.650 174.650 176.196 -1.546 18978 1964 1 3 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.198 -0.378 18978 1965 1 3 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.386 -2.106 18978 1966 1 3 . 1 1 66 66 ILE H H 66 8.430 8.430 8.596 -0.166 18978 1967 1 3 . 1 1 67 67 THR N N 67 123.870 123.870 123.057 0.813 18978 1968 1 3 . 1 1 67 67 THR HA H 67 4.470 4.470 4.766 -0.296 18978 1969 1 3 . 1 1 67 67 THR C C 67 172.760 172.760 173.060 -0.300 18978 1970 1 3 . 1 1 67 67 THR CA C 67 60.740 60.740 61.283 -0.543 18978 1971 1 3 . 1 1 67 67 THR CB C 67 71.320 71.320 70.848 0.472 18978 1972 1 3 . 1 1 67 67 THR H H 67 8.870 8.870 8.464 0.406 18978 1973 1 3 . 1 1 68 68 LEU N N 68 127.070 127.070 127.493 -0.423 18978 1974 1 3 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.979 0.161 18978 1975 1 3 . 1 1 68 68 LEU C C 68 176.610 176.610 176.523 0.087 18978 1976 1 3 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.998 -0.718 18978 1977 1 3 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.225 -0.625 18978 1978 1 3 . 1 1 68 68 LEU H H 68 8.820 8.820 8.679 0.141 18978 1979 1 3 . 1 1 69 69 VAL N N 69 124.120 124.120 126.198 -2.078 18978 1980 1 3 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.309 -0.049 18978 1981 1 3 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.418 -1.068 18978 1982 1 3 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.996 -0.206 18978 1983 1 3 . 1 1 69 69 VAL H H 69 8.800 8.800 8.538 0.262 18978 1984 1 3 . 1 1 70 70 THR N N 70 114.500 114.500 120.407 -5.907 18978 1985 1 3 . 1 1 70 70 THR HA H 70 4.410 4.410 4.623 -0.213 18978 1986 1 3 . 1 1 70 70 THR CA C 70 60.800 60.800 62.583 -1.783 18978 1987 1 3 . 1 1 70 70 THR CB C 70 69.650 69.650 70.162 -0.512 18978 1988 1 3 . 1 1 70 70 THR H H 70 8.160 8.160 8.635 -0.475 18978 1989 1 3 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.400 -0.470 18978 1990 1 3 . 1 1 72 72 PRO CA C 72 64.520 64.520 64.073 0.447 18978 1991 1 3 . 1 1 72 72 PRO CB C 72 34.140 34.140 31.894 2.246 18978 1992 1 3 . 1 1 73 73 VAL N N 73 117.500 117.500 114.886 2.614 18978 1993 1 3 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.419 0.101 18978 1994 1 3 . 1 1 73 73 VAL C C 73 174.100 174.100 174.456 -0.356 18978 1995 1 3 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.133 0.877 18978 1996 1 3 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.490 -1.160 18978 1997 1 3 . 1 1 73 73 VAL H H 73 7.410 7.410 7.335 0.075 18978 1998 1 3 . 1 1 74 74 ASP N N 74 124.500 124.500 122.018 2.482 18978 1999 1 3 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.884 0.026 18978 2000 1 3 . 1 1 74 74 ASP C C 74 174.000 174.000 175.415 -1.415 18978 2001 1 3 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.713 -0.263 18978 2002 1 3 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.612 1.738 18978 2003 1 3 . 1 1 74 74 ASP H H 74 8.290 8.290 8.390 -0.100 18978 2004 1 3 . 1 1 75 75 VAL N N 75 122.400 122.400 123.149 -0.749 18978 2005 1 3 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.321 0.369 18978 2006 1 3 . 1 1 75 75 VAL C C 75 174.600 174.600 175.153 -0.553 18978 2007 1 3 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.668 -0.468 18978 2008 1 3 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.977 0.353 18978 2009 1 3 . 1 1 75 75 VAL H H 75 7.780 7.780 8.439 -0.659 18978 2010 1 3 . 1 1 76 76 LEU N N 76 130.300 130.300 128.949 1.351 18978 2011 1 3 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.645 0.075 18978 2012 1 3 . 1 1 76 76 LEU C C 76 174.400 174.400 175.891 -1.491 18978 2013 1 3 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.448 -0.818 18978 2014 1 3 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.304 0.656 18978 2015 1 3 . 1 1 76 76 LEU H H 76 9.200 9.200 8.461 0.739 18978 2016 1 3 . 1 1 77 77 GLU N N 77 118.600 118.600 121.014 -2.414 18978 2017 1 3 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.639 0.681 18978 2018 1 3 . 1 1 77 77 GLU C C 77 174.900 174.900 175.020 -0.120 18978 2019 1 3 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.841 -1.751 18978 2020 1 3 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.670 2.530 18978 2021 1 3 . 1 1 77 77 GLU H H 77 8.010 8.010 8.519 -0.509 18978 2022 1 3 . 1 1 78 78 ALA N N 78 124.500 124.500 125.183 -0.683 18978 2023 1 3 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.540 0.100 18978 2024 1 3 . 1 1 78 78 ALA C C 78 175.500 175.500 176.923 -1.423 18978 2025 1 3 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.478 -0.798 18978 2026 1 3 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.166 0.644 18978 2027 1 3 . 1 1 78 78 ALA H H 78 8.800 8.800 8.249 0.551 18978 2028 1 3 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.419 0.061 18978 2029 1 3 . 1 1 79 79 LYS C C 79 174.700 174.700 175.513 -0.813 18978 2030 1 3 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.213 -0.113 18978 2031 1 3 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.738 -1.798 18978 2032 1 3 . 1 1 80 80 ILE N N 80 127.300 127.300 124.355 2.945 18978 2033 1 3 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.255 -0.175 18978 2034 1 3 . 1 1 80 80 ILE C C 80 172.700 172.700 175.077 -2.377 18978 2035 1 3 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.209 -0.269 18978 2036 1 3 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.915 2.015 18978 2037 1 3 . 1 1 80 80 ILE H H 80 7.380 7.380 8.562 -1.182 18978 2038 1 3 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.509 -0.229 18978 2039 1 3 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.981 0.139 18978 2040 1 3 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.872 -0.122 18978 2041 1 3 . 1 1 82 82 GLY N N 82 113.000 113.000 112.198 0.802 18978 2042 1 3 . 1 1 82 82 GLY C C 82 174.600 174.600 174.179 0.421 18978 2043 1 3 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.627 2.243 18978 2044 1 3 . 1 1 82 82 GLY H H 82 8.210 8.210 8.721 -0.511 18978 2045 1 3 . 1 1 83 83 ILE N N 83 121.200 121.200 119.169 2.031 18978 2046 1 3 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.875 -0.535 18978 2047 1 3 . 1 1 83 83 ILE C C 83 175.000 175.000 176.392 -1.392 18978 2048 1 3 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.195 2.515 18978 2049 1 3 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.947 -0.457 18978 2050 1 3 . 1 1 83 83 ILE H H 83 8.350 8.350 8.141 0.209 18978 2051 1 3 . 1 1 84 84 LYS N N 84 129.400 129.400 128.517 0.883 18978 2052 1 3 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.339 0.151 18978 2053 1 3 . 1 1 84 84 LYS C C 84 175.000 175.000 176.265 -1.265 18978 2054 1 3 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.232 -1.162 18978 2055 1 3 . 1 1 84 84 LYS CB C 84 34.490 34.490 33.935 0.555 18978 2056 1 3 . 1 1 84 84 LYS H H 84 9.160 9.160 8.609 0.551 18978 2057 1 3 . 1 1 85 85 ASP N N 85 117.500 117.500 117.463 0.037 18978 2058 1 3 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.918 -0.138 18978 2059 1 3 . 1 1 85 85 ASP C C 85 173.200 173.200 173.765 -0.565 18978 2060 1 3 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.818 -0.728 18978 2061 1 3 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.190 -0.700 18978 2062 1 3 . 1 1 85 85 ASP H H 85 7.990 7.990 7.823 0.167 18978 2063 1 3 . 1 1 86 86 VAL N N 86 119.400 119.400 121.936 -2.536 18978 2064 1 3 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.511 0.659 18978 2065 1 3 . 1 1 86 86 VAL C C 86 172.500 172.500 175.243 -2.743 18978 2066 1 3 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.188 -1.438 18978 2067 1 3 . 1 1 86 86 VAL CB C 86 35.160 35.160 33.939 1.221 18978 2068 1 3 . 1 1 86 86 VAL H H 86 8.210 8.210 8.521 -0.311 18978 2069 1 3 . 1 1 87 87 ILE N N 87 127.100 127.100 129.167 -2.067 18978 2070 1 3 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.446 -0.236 18978 2071 1 3 . 1 1 87 87 ILE C C 87 173.600 173.600 174.244 -0.644 18978 2072 1 3 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.450 0.021 18978 2073 1 3 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.589 0.901 18978 2074 1 3 . 1 1 87 87 ILE H H 87 9.190 9.190 8.634 0.556 18978 2075 1 3 . 1 1 88 88 LEU N N 88 125.700 125.700 129.220 -3.520 18978 2076 1 3 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.730 0.310 18978 2077 1 3 . 1 1 88 88 LEU C C 88 174.500 174.500 175.055 -0.555 18978 2078 1 3 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.185 -1.245 18978 2079 1 3 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.403 -0.893 18978 2080 1 3 . 1 1 88 88 LEU H H 88 7.840 7.840 8.437 -0.597 18978 2081 1 3 . 1 1 89 89 ASP N N 89 127.800 127.800 125.946 1.854 18978 2082 1 3 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.903 -0.133 18978 2083 1 3 . 1 1 89 89 ASP C C 89 174.100 174.100 176.843 -2.743 18978 2084 1 3 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.373 0.247 18978 2085 1 3 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.153 -0.083 18978 2086 1 3 . 1 1 89 89 ASP H H 89 8.280 8.280 8.544 -0.264 18978 2087 1 3 . 1 1 90 90 GLU N N 90 122.400 122.400 124.065 -1.665 18978 2088 1 3 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.054 -0.204 18978 2089 1 3 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.123 -0.293 18978 2090 1 3 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.985 -0.575 18978 2091 1 3 . 1 1 90 90 GLU H H 90 8.980 8.980 8.963 0.017 18978 2092 1 3 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.961 -0.681 18978 2093 1 3 . 1 1 91 91 ASN C C 91 173.600 173.600 173.545 0.055 18978 2094 1 3 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.599 1.561 18978 2095 1 3 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.962 -0.062 18978 2096 1 3 . 1 1 92 92 LEU N N 92 117.400 117.400 120.683 -3.283 18978 2097 1 3 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.640 0.390 18978 2098 1 3 . 1 1 92 92 LEU C C 92 174.700 174.700 173.792 0.908 18978 2099 1 3 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.686 -1.986 18978 2100 1 3 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.376 0.874 18978 2101 1 3 . 1 1 92 92 LEU H H 92 7.110 7.110 7.924 -0.814 18978 2102 1 3 . 1 1 93 93 ILE N N 93 121.300 121.300 123.707 -2.407 18978 2103 1 3 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.516 -0.066 18978 2104 1 3 . 1 1 93 93 ILE C C 93 174.000 174.000 174.198 -0.198 18978 2105 1 3 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.637 0.333 18978 2106 1 3 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.460 0.170 18978 2107 1 3 . 1 1 93 93 ILE H H 93 8.450 8.450 8.635 -0.185 18978 2108 1 3 . 1 1 94 94 VAL N N 94 128.000 128.000 128.005 -0.005 18978 2109 1 3 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.938 -0.098 18978 2110 1 3 . 1 1 94 94 VAL C C 94 174.000 174.000 174.597 -0.597 18978 2111 1 3 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.776 0.324 18978 2112 1 3 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.803 -1.683 18978 2113 1 3 . 1 1 94 94 VAL H H 94 8.970 8.970 8.460 0.510 18978 2114 1 3 . 1 1 95 95 VAL N N 95 127.700 127.700 127.059 0.641 18978 2115 1 3 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.576 0.094 18978 2116 1 3 . 1 1 95 95 VAL C C 95 173.300 173.300 174.620 -1.320 18978 2117 1 3 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.109 -0.269 18978 2118 1 3 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.601 -0.361 18978 2119 1 3 . 1 1 95 95 VAL H H 95 9.420 9.420 8.549 0.871 18978 2120 1 3 . 1 1 96 96 ILE N N 96 126.000 126.000 127.330 -1.330 18978 2121 1 3 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.972 0.248 18978 2122 1 3 . 1 1 96 96 ILE C C 96 177.100 177.100 175.777 1.323 18978 2123 1 3 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.914 -0.344 18978 2124 1 3 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.082 0.668 18978 2125 1 3 . 1 1 96 96 ILE H H 96 8.460 8.460 8.682 -0.222 18978 2126 1 3 . 1 1 97 97 THR N N 97 118.100 118.100 117.928 0.172 18978 2127 1 3 . 1 1 97 97 THR HA H 97 5.250 5.250 4.764 0.486 18978 2128 1 3 . 1 1 97 97 THR C C 97 176.300 176.300 175.592 0.708 18978 2129 1 3 . 1 1 97 97 THR CA C 97 59.650 59.650 60.009 -0.359 18978 2130 1 3 . 1 1 97 97 THR CB C 97 71.890 71.890 71.323 0.567 18978 2131 1 3 . 1 1 97 97 THR H H 97 9.050 9.050 8.435 0.615 18978 2132 1 3 . 1 1 98 98 GLU N N 98 120.100 120.100 122.363 -2.263 18978 2133 1 3 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.936 0.184 18978 2134 1 3 . 1 1 98 98 GLU C C 98 176.200 176.200 178.537 -2.337 18978 2135 1 3 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.767 -1.877 18978 2136 1 3 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.670 -0.140 18978 2137 1 3 . 1 1 98 98 GLU H H 98 9.220 9.220 8.302 0.918 18978 2138 1 3 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.227 -0.077 18978 2139 1 3 . 1 1 99 99 GLU C C 99 174.200 174.200 175.902 -1.702 18978 2140 1 3 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.436 1.774 18978 2141 1 3 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.652 1.218 18978 2142 1 3 . 1 1 100 100 ASN N N 100 113.200 113.200 114.536 -1.336 18978 2143 1 3 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.420 -0.310 18978 2144 1 3 . 1 1 100 100 ASN C C 100 173.700 173.700 173.412 0.288 18978 2145 1 3 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.507 -0.107 18978 2146 1 3 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.351 -0.491 18978 2147 1 3 . 1 1 100 100 ASN H H 100 8.020 8.020 8.131 -0.111 18978 2148 1 3 . 1 1 101 101 GLU N N 101 115.500 115.500 118.038 -2.538 18978 2149 1 3 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.742 0.408 18978 2150 1 3 . 1 1 101 101 GLU C C 101 174.900 174.900 174.259 0.641 18978 2151 1 3 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.127 -0.077 18978 2152 1 3 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.504 -2.104 18978 2153 1 3 . 1 1 101 101 GLU H H 101 7.230 7.230 7.315 -0.085 18978 2154 1 3 . 1 1 102 102 VAL N N 102 122.700 122.700 124.171 -1.471 18978 2155 1 3 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.645 0.275 18978 2156 1 3 . 1 1 102 102 VAL C C 102 173.700 173.700 174.438 -0.738 18978 2157 1 3 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.428 -0.509 18978 2158 1 3 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.564 0.246 18978 2159 1 3 . 1 1 102 102 VAL H H 102 8.710 8.710 8.732 -0.022 18978 2160 1 3 . 1 1 103 103 LEU N N 103 127.300 127.300 127.951 -0.651 18978 2161 1 3 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.761 -0.461 18978 2162 1 3 . 1 1 103 103 LEU C C 103 174.500 174.500 175.367 -0.867 18978 2163 1 3 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.695 0.125 18978 2164 1 3 . 1 1 103 103 LEU H H 103 9.140 9.140 8.406 0.734 18978 2165 1 3 . 1 1 104 104 ILE N N 104 122.200 122.200 121.775 0.425 18978 2166 1 3 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.753 -0.013 18978 2167 1 3 . 1 1 104 104 ILE C C 104 173.600 173.600 174.666 -1.066 18978 2168 1 3 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.368 -0.148 18978 2169 1 3 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.465 -0.315 18978 2170 1 3 . 1 1 104 104 ILE H H 104 8.470 8.470 8.211 0.259 18978 2171 1 3 . 1 1 105 105 PHE N N 105 126.600 126.600 125.596 1.004 18978 2172 1 3 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.706 -0.136 18978 2173 1 3 . 1 1 105 105 PHE C C 105 175.800 175.800 175.244 0.556 18978 2174 1 3 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.825 -0.375 18978 2175 1 3 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.465 1.205 18978 2176 1 3 . 1 1 105 105 PHE H H 105 9.330 9.330 9.126 0.204 18978 2177 1 3 . 1 1 106 106 ASN N N 106 116.000 116.000 118.440 -2.440 18978 2178 1 3 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.026 0.444 18978 2179 1 3 . 1 1 106 106 ASN C C 106 176.700 176.700 176.844 -0.144 18978 2180 1 3 . 1 1 106 106 ASN CA C 106 50.500 50.500 50.965 -0.465 18978 2181 1 3 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.627 -1.027 18978 2182 1 3 . 1 1 106 106 ASN H H 106 7.710 7.710 8.245 -0.535 18978 2183 1 3 . 1 1 107 107 GLN N N 107 114.500 114.500 119.567 -5.067 18978 2184 1 3 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.025 -0.135 18978 2185 1 3 . 1 1 107 107 GLN C C 107 173.700 173.700 175.781 -2.081 18978 2186 1 3 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.842 -1.332 18978 2187 1 3 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.376 -1.286 18978 2188 1 3 . 1 1 107 107 GLN H H 107 8.040 8.040 8.723 -0.683 18978 2189 1 3 . 1 1 108 108 ASN N N 108 115.800 115.800 116.228 -0.428 18978 2190 1 3 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.619 0.051 18978 2191 1 3 . 1 1 108 108 ASN C C 108 173.600 173.600 175.031 -1.431 18978 2192 1 3 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.764 -0.674 18978 2193 1 3 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.258 0.602 18978 2194 1 3 . 1 1 108 108 ASN H H 108 7.440 7.440 8.148 -0.708 18978 2195 1 3 . 1 1 109 109 LEU N N 109 115.200 115.200 119.215 -4.015 18978 2196 1 3 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.826 -0.296 18978 2197 1 3 . 1 1 109 109 LEU C C 109 174.700 174.700 175.009 -0.309 18978 2198 1 3 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.205 -0.435 18978 2199 1 3 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.257 -1.557 18978 2200 1 3 . 1 1 109 109 LEU H H 109 8.220 8.220 7.681 0.539 18978 2201 1 3 . 1 1 110 110 GLU N N 110 117.600 117.600 118.790 -1.190 18978 2202 1 3 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.684 -0.264 18978 2203 1 3 . 1 1 110 110 GLU C C 110 175.800 175.800 175.424 0.376 18978 2204 1 3 . 1 1 110 110 GLU CA C 110 55.180 55.180 55.234 -0.054 18978 2205 1 3 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.028 -3.208 18978 2206 1 3 . 1 1 110 110 GLU H H 110 7.550 7.550 8.219 -0.669 18978 2207 1 3 . 1 1 111 111 GLU N N 111 125.900 125.900 123.913 1.987 18978 2208 1 3 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.147 -0.317 18978 2209 1 3 . 1 1 111 111 GLU C C 111 175.400 175.400 175.960 -0.560 18978 2210 1 3 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.020 -0.380 18978 2211 1 3 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.905 0.715 18978 2212 1 3 . 1 1 111 111 GLU H H 111 8.350 8.350 8.941 -0.591 18978 2213 1 3 . 1 1 112 112 LEU N N 112 128.000 128.000 128.449 -0.449 18978 2214 1 3 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.455 -0.185 18978 2215 1 3 . 1 1 112 112 LEU C C 112 176.100 176.100 176.468 -0.368 18978 2216 1 3 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.375 -0.345 18978 2217 1 3 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.121 -1.351 18978 2218 1 3 . 1 1 112 112 LEU H H 112 9.110 9.110 8.347 0.763 18978 2219 1 3 . 1 1 113 113 TYR N N 113 116.300 116.300 119.778 -3.478 18978 2220 1 3 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.662 -0.332 18978 2221 1 3 . 1 1 113 113 TYR C C 113 171.700 171.700 172.951 -1.251 18978 2222 1 3 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.261 0.699 18978 2223 1 3 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.011 -0.291 18978 2224 1 3 . 1 1 113 113 TYR H H 113 7.250 7.250 7.492 -0.242 18978 2225 1 3 . 1 1 114 114 ARG N N 114 126.200 126.200 124.703 1.497 18978 2226 1 3 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.001 0.019 18978 2227 1 3 . 1 1 114 114 ARG C C 114 173.500 173.500 174.249 -0.749 18978 2228 1 3 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.459 0.161 18978 2229 1 3 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.660 0.790 18978 2230 1 3 . 1 1 114 114 ARG H H 114 6.560 6.560 7.858 -1.298 18978 2231 1 3 . 1 1 115 115 GLY N N 115 111.300 111.300 110.497 0.803 18978 2232 1 3 . 1 1 115 115 GLY C C 115 178.100 178.100 171.253 6.847 18978 2233 1 3 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.904 -0.494 18978 2234 1 3 . 1 1 115 115 GLY H H 115 8.320 8.320 8.440 -0.120 18978 2235 1 3 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.463 0.307 18978 2236 1 3 . 1 1 116 116 LYS C C 116 174.400 174.400 174.620 -0.220 18978 2237 1 3 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.246 -0.056 18978 2238 1 3 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.270 -0.930 18978 2239 1 3 . 1 1 117 117 PHE N N 117 125.800 125.800 122.984 2.816 18978 2240 1 3 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.840 -0.290 18978 2241 1 3 . 1 1 117 117 PHE C C 117 174.000 174.000 175.981 -1.981 18978 2242 1 3 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.982 -0.132 18978 2243 1 3 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.966 0.194 18978 2244 1 3 . 1 1 117 117 PHE H H 117 8.090 8.090 8.534 -0.444 18978 2245 1 3 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.885 -0.225 18978 2246 1 3 . 1 1 119 119 ASN C C 119 173.500 173.500 174.237 -0.737 18978 2247 1 3 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.908 -0.428 18978 2248 1 3 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.549 -0.359 18978 2249 1 3 . 1 1 120 120 LEU N N 120 120.200 120.200 121.274 -1.074 18978 2250 1 3 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.020 -0.190 18978 2251 1 3 . 1 1 120 120 LEU C C 120 175.000 175.000 175.892 -0.892 18978 2252 1 3 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.156 0.114 18978 2253 1 3 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.836 0.934 18978 2254 1 3 . 1 1 120 120 LEU H H 120 6.900 6.900 7.549 -0.649 18978 2255 1 3 . 1 1 121 121 ASN N N 121 124.200 124.200 125.264 -1.064 18978 2256 1 3 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.829 0.061 18978 2257 1 3 . 1 1 121 121 ASN C C 121 174.300 174.300 175.379 -1.079 18978 2258 1 3 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.407 -0.527 18978 2259 1 3 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.417 0.023 18978 2260 1 3 . 1 1 121 121 ASN H H 121 8.900 8.900 8.461 0.439 18978 2261 1 3 . 1 1 122 122 LYS N N 122 115.100 115.100 120.209 -5.109 18978 2262 1 3 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.587 -0.117 18978 2263 1 3 . 1 1 122 122 LYS C C 122 172.500 172.500 174.087 -1.587 18978 2264 1 3 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.665 0.035 18978 2265 1 3 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.334 -0.674 18978 2266 1 3 . 1 1 122 122 LYS H H 122 7.410 7.410 7.761 -0.351 18978 2267 1 3 . 1 1 123 123 VAL N N 123 121.500 121.500 121.812 -0.312 18978 2268 1 3 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.464 0.356 18978 2269 1 3 . 1 1 123 123 VAL C C 123 173.400 173.400 175.240 -1.840 18978 2270 1 3 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.084 -0.394 18978 2271 1 3 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.022 1.129 18978 2272 1 3 . 1 1 123 123 VAL H H 123 7.730 7.730 8.423 -0.693 18978 2273 1 3 . 1 1 124 124 LEU N N 124 126.600 126.600 130.151 -3.551 18978 2274 1 3 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.824 -0.104 18978 2275 1 3 . 1 1 124 124 LEU C C 124 174.200 174.200 174.883 -0.683 18978 2276 1 3 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.125 -0.745 18978 2277 1 3 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.989 0.121 18978 2278 1 3 . 1 1 124 124 LEU H H 124 9.060 9.060 8.350 0.710 18978 2279 1 3 . 1 1 125 125 VAL N N 125 120.300 120.300 122.378 -2.078 18978 2280 1 3 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.514 0.156 18978 2281 1 3 . 1 1 125 125 VAL C C 125 174.700 174.700 174.635 0.065 18978 2282 1 3 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.716 -0.426 18978 2283 1 3 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.641 -0.391 18978 2284 1 3 . 1 1 125 125 VAL H H 125 8.030 8.030 8.448 -0.418 18978 2285 1 3 . 1 1 126 126 ARG N N 126 127.100 127.100 127.821 -0.721 18978 2286 1 3 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.998 -0.528 18978 2287 1 3 . 1 1 126 126 ARG C C 126 174.400 174.400 175.308 -0.908 18978 2288 1 3 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.545 1.285 18978 2289 1 3 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.372 -2.072 18978 2290 1 3 . 1 1 126 126 ARG H H 126 8.630 8.630 8.511 0.119 18978 2291 1 3 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.402 -0.112 18978 2292 1 3 . 1 1 127 127 ASN C C 127 172.600 172.600 174.603 -2.003 18978 2293 1 3 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.086 0.974 18978 2294 1 3 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.482 -0.532 18978 2295 1 3 . 1 1 128 128 ASP N N 128 117.600 117.600 118.647 -1.047 18978 2296 1 3 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.599 -0.149 18978 2297 1 3 . 1 1 128 128 ASP C C 128 174.000 174.000 175.367 -1.367 18978 2298 1 3 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.245 -0.725 18978 2299 1 3 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.864 -1.054 18978 2300 1 3 . 1 1 128 128 ASP H H 128 8.560 8.560 8.542 0.018 18978 2301 1 3 . 1 1 129 129 LEU N N 129 121.500 121.500 120.299 1.201 18978 2302 1 3 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.604 0.466 18978 2303 1 3 . 1 1 129 129 LEU C C 129 174.800 174.800 174.605 0.195 18978 2304 1 3 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.574 -0.774 18978 2305 1 3 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.120 0.000 18978 2306 1 3 . 1 1 129 129 LEU H H 129 7.730 7.730 7.692 0.038 18978 2307 1 3 . 1 1 130 130 VAL N N 130 120.600 120.600 121.815 -1.215 18978 2308 1 3 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.707 0.003 18978 2309 1 3 . 1 1 130 130 VAL C C 130 173.500 173.500 173.366 0.134 18978 2310 1 3 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.690 0.830 18978 2311 1 3 . 1 1 130 130 VAL CB C 130 33.750 33.750 35.974 -2.224 18978 2312 1 3 . 1 1 130 130 VAL H H 130 8.410 8.410 8.100 0.310 18978 2313 1 3 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.668 -0.068 18978 2314 1 3 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.734 -0.145 18978 2315 1 3 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.495 -1.635 18978 2316 1 3 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.390 -0.090 18978 2317 1 3 . 1 1 132 132 ILE C C 132 174.900 174.900 174.394 0.506 18978 2318 1 3 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.256 0.224 18978 2319 1 3 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.577 -0.527 18978 2320 1 3 . 1 1 133 133 ILE N N 133 126.200 126.200 126.811 -0.611 18978 2321 1 3 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.455 0.215 18978 2322 1 3 . 1 1 133 133 ILE C C 133 174.200 174.200 174.127 0.073 18978 2323 1 3 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.520 1.410 18978 2324 1 3 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.026 1.093 18978 2325 1 3 . 1 1 133 133 ILE H H 133 8.490 8.490 8.555 -0.065 18978 2326 1 3 . 1 1 134 134 ASP N N 134 130.100 130.100 125.465 4.635 18978 2327 1 3 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.382 -0.432 18978 2328 1 3 . 1 1 134 134 ASP C C 134 174.600 174.600 176.705 -2.105 18978 2329 1 3 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.988 0.402 18978 2330 1 3 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.143 -0.773 18978 2331 1 3 . 1 1 134 134 ASP H H 134 8.360 8.360 8.150 0.210 18978 2332 1 3 . 1 1 135 135 GLU N N 135 118.000 118.000 120.987 -2.987 18978 2333 1 3 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.962 0.248 18978 2334 1 3 . 1 1 135 135 GLU C C 135 176.200 176.200 177.456 -1.256 18978 2335 1 3 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.219 -0.469 18978 2336 1 3 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.627 0.663 18978 2337 1 3 . 1 1 135 135 GLU H H 135 7.840 7.840 8.586 -0.746 18978 2338 1 3 . 1 1 136 136 GLN N N 136 115.200 115.200 116.074 -0.874 18978 2339 1 3 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.240 0.630 18978 2340 1 3 . 1 1 136 136 GLN C C 136 174.900 174.900 175.886 -0.986 18978 2341 1 3 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.968 -1.468 18978 2342 1 3 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.879 1.051 18978 2343 1 3 . 1 1 136 136 GLN H H 136 8.860 8.860 8.350 0.510 18978 2344 1 3 . 1 1 137 137 LYS N N 137 118.100 118.100 115.104 2.996 18978 2345 1 3 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.524 0.386 18978 2346 1 3 . 1 1 137 137 LYS C C 137 172.400 172.400 173.682 -1.282 18978 2347 1 3 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.169 0.731 18978 2348 1 3 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.050 0.490 18978 2349 1 3 . 1 1 137 137 LYS H H 137 8.260 8.260 7.999 0.261 18978 2350 1 3 . 1 1 138 138 LEU N N 138 123.500 123.500 121.874 1.626 18978 2351 1 3 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.779 0.081 18978 2352 1 3 . 1 1 138 138 LEU C C 138 174.400 174.400 175.949 -1.549 18978 2353 1 3 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.675 -0.165 18978 2354 1 3 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.872 0.088 18978 2355 1 3 . 1 1 138 138 LEU H H 138 8.410 8.410 8.446 -0.036 18978 2356 1 3 . 1 1 139 139 THR N N 139 123.600 123.600 122.719 0.881 18978 2357 1 3 . 1 1 139 139 THR HA H 139 4.830 4.830 4.626 0.204 18978 2358 1 3 . 1 1 139 139 THR C C 139 171.400 171.400 172.476 -1.076 18978 2359 1 3 . 1 1 139 139 THR CA C 139 62.240 62.240 61.701 0.539 18978 2360 1 3 . 1 1 139 139 THR CB C 139 70.120 70.120 70.058 0.062 18978 2361 1 3 . 1 1 139 139 THR H H 139 8.820 8.820 8.257 0.563 18978 2362 1 3 . 1 1 140 140 LEU N N 140 130.500 130.500 128.765 1.735 18978 2363 1 3 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.553 0.477 18978 2364 1 3 . 1 1 140 140 LEU C C 140 173.700 173.700 175.320 -1.620 18978 2365 1 3 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.412 -1.032 18978 2366 1 3 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.060 0.830 18978 2367 1 3 . 1 1 140 140 LEU H H 140 9.250 9.250 8.659 0.591 18978 2368 1 3 . 1 1 141 141 ILE N N 141 127.300 127.300 128.501 -1.201 18978 2369 1 3 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.314 0.346 18978 2370 1 3 . 1 1 141 141 ILE C C 141 174.200 174.200 174.307 -0.107 18978 2371 1 3 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.426 -0.916 18978 2372 1 3 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.520 -0.670 18978 2373 1 3 . 1 1 141 141 ILE H H 141 9.140 9.140 8.439 0.701 18978 2374 1 3 . 1 1 142 142 ARG N N 142 126.500 126.500 126.327 0.173 18978 2375 1 3 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.719 0.161 18978 2376 1 3 . 1 1 142 142 ARG C C 142 175.100 175.100 175.617 -0.517 18978 2377 1 3 . 1 1 142 142 ARG CA C 142 54.540 54.540 54.176 0.364 18978 2378 1 3 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.275 -0.775 18978 2379 1 3 . 1 1 142 142 ARG H H 142 8.550 8.550 8.643 -0.093 18978 2380 1 4 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.491 -0.491 18978 2381 1 4 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.876 0.274 18978 2382 1 4 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.118 0.272 18978 2383 1 4 . 1 1 -1 -1 VAL N N -1 119.730 119.730 121.215 -1.485 18978 2384 1 4 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.253 -0.213 18978 2385 1 4 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.726 0.154 18978 2386 1 4 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.138 0.972 18978 2387 1 4 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 34.930 -2.170 18978 2388 1 4 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.356 -0.486 18978 2389 1 4 . 1 1 0 0 ILE N N 0 125.570 125.570 125.287 0.283 18978 2390 1 4 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.455 -0.365 18978 2391 1 4 . 1 1 0 0 ILE C C 0 175.850 175.850 175.714 0.136 18978 2392 1 4 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.558 0.242 18978 2393 1 4 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.018 0.452 18978 2394 1 4 . 1 1 0 0 ILE H H 0 8.230 8.230 8.177 0.053 18978 2395 1 4 . 1 1 1 1 MET N N 1 125.930 125.930 125.486 0.444 18978 2396 1 4 . 1 1 1 1 MET HA H 1 4.540 4.540 4.717 -0.177 18978 2397 1 4 . 1 1 1 1 MET C C 1 174.830 174.830 175.299 -0.469 18978 2398 1 4 . 1 1 1 1 MET CA C 1 54.790 54.790 55.591 -0.801 18978 2399 1 4 . 1 1 1 1 MET CB C 1 32.640 32.640 33.596 -0.956 18978 2400 1 4 . 1 1 1 1 MET H H 1 8.370 8.370 8.342 0.028 18978 2401 1 4 . 1 1 2 2 SER N N 2 116.400 116.400 117.367 -0.967 18978 2402 1 4 . 1 1 2 2 SER HA H 2 5.030 5.030 5.126 -0.096 18978 2403 1 4 . 1 1 2 2 SER C C 2 174.330 174.330 173.582 0.748 18978 2404 1 4 . 1 1 2 2 SER CA C 2 57.320 57.320 57.023 0.297 18978 2405 1 4 . 1 1 2 2 SER CB C 2 64.790 64.790 65.866 -1.076 18978 2406 1 4 . 1 1 2 2 SER H H 2 7.990 7.990 8.272 -0.282 18978 2407 1 4 . 1 1 3 3 GLU N N 3 123.670 123.670 123.295 0.375 18978 2408 1 4 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.414 -0.164 18978 2409 1 4 . 1 1 3 3 GLU C C 3 172.980 172.980 174.111 -1.131 18978 2410 1 4 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.572 -0.182 18978 2411 1 4 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.585 -0.675 18978 2412 1 4 . 1 1 3 3 GLU H H 3 9.430 9.430 8.667 0.763 18978 2413 1 4 . 1 1 4 4 LEU N N 4 125.350 125.350 125.155 0.195 18978 2414 1 4 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.039 -0.169 18978 2415 1 4 . 1 1 4 4 LEU C C 4 174.000 174.000 174.477 -0.477 18978 2416 1 4 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.904 -0.884 18978 2417 1 4 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.014 0.026 18978 2418 1 4 . 1 1 4 4 LEU H H 4 8.930 8.930 8.507 0.423 18978 2419 1 4 . 1 1 5 5 LYS N N 5 124.640 124.640 126.445 -1.805 18978 2420 1 4 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.038 0.322 18978 2421 1 4 . 1 1 5 5 LYS C C 5 175.660 175.660 175.329 0.331 18978 2422 1 4 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.018 -0.078 18978 2423 1 4 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.174 0.106 18978 2424 1 4 . 1 1 5 5 LYS H H 5 8.840 8.840 8.332 0.508 18978 2425 1 4 . 1 1 6 6 LEU N N 6 123.460 123.460 124.895 -1.435 18978 2426 1 4 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.130 0.300 18978 2427 1 4 . 1 1 6 6 LEU C C 6 174.630 174.630 175.262 -0.632 18978 2428 1 4 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.356 -0.456 18978 2429 1 4 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.331 1.579 18978 2430 1 4 . 1 1 6 6 LEU H H 6 8.820 8.820 8.340 0.480 18978 2431 1 4 . 1 1 7 7 LYS N N 7 122.230 122.230 121.439 0.791 18978 2432 1 4 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.925 0.565 18978 2433 1 4 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.657 -0.388 18978 2434 1 4 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.689 0.811 18978 2435 1 4 . 1 1 7 7 LYS H H 7 9.110 9.110 8.508 0.602 18978 2436 1 4 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.072 -0.972 18978 2437 1 4 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.691 -0.251 18978 2438 1 4 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.891 -2.251 18978 2439 1 4 . 1 1 9 9 LEU N N 9 123.250 123.250 123.831 -0.581 18978 2440 1 4 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.474 -0.154 18978 2441 1 4 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.871 0.809 18978 2442 1 4 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.073 -1.313 18978 2443 1 4 . 1 1 9 9 LEU H H 9 8.490 8.490 8.204 0.286 18978 2444 1 4 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.473 0.057 18978 2445 1 4 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.295 0.585 18978 2446 1 4 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.276 -0.856 18978 2447 1 4 . 1 1 11 11 LYS N N 11 119.160 119.160 122.039 -2.879 18978 2448 1 4 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.439 -0.329 18978 2449 1 4 . 1 1 11 11 LYS C C 11 175.680 175.680 175.996 -0.316 18978 2450 1 4 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.175 0.035 18978 2451 1 4 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.278 -0.618 18978 2452 1 4 . 1 1 11 11 LYS H H 11 8.180 8.180 8.435 -0.255 18978 2453 1 4 . 1 1 12 12 VAL N N 12 121.820 121.820 123.518 -1.698 18978 2454 1 4 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.361 -0.081 18978 2455 1 4 . 1 1 12 12 VAL C C 12 173.690 173.690 174.704 -1.014 18978 2456 1 4 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.086 -1.256 18978 2457 1 4 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.453 0.097 18978 2458 1 4 . 1 1 12 12 VAL H H 12 7.530 7.530 7.940 -0.410 18978 2459 1 4 . 1 1 13 13 GLU N N 13 125.610 125.610 125.113 0.497 18978 2460 1 4 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.467 -0.137 18978 2461 1 4 . 1 1 13 13 GLU C C 13 175.390 175.390 175.428 -0.038 18978 2462 1 4 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.870 -0.650 18978 2463 1 4 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.248 -0.278 18978 2464 1 4 . 1 1 13 13 GLU H H 13 8.270 8.270 8.544 -0.274 18978 2465 1 4 . 1 1 14 14 LEU N N 14 125.880 125.880 126.957 -1.077 18978 2466 1 4 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.506 0.014 18978 2467 1 4 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.047 -0.387 18978 2468 1 4 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.634 0.116 18978 2469 1 4 . 1 1 14 14 LEU H H 14 8.480 8.480 8.313 0.167 18978 2470 1 4 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.593 0.167 18978 2471 1 4 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.998 -0.668 18978 2472 1 4 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.343 -0.283 18978 2473 1 4 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.228 0.162 18978 2474 1 4 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.182 -0.632 18978 2475 1 4 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.807 -0.037 18978 2476 1 4 . 1 1 17 17 ASP N N 17 115.820 115.820 115.264 0.556 18978 2477 1 4 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.560 0.060 18978 2478 1 4 . 1 1 17 17 ASP C C 17 177.100 177.100 177.082 0.018 18978 2479 1 4 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.360 -0.470 18978 2480 1 4 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.955 0.166 18978 2481 1 4 . 1 1 17 17 ASP H H 17 8.560 8.560 8.761 -0.201 18978 2482 1 4 . 1 1 18 18 PHE N N 18 119.610 119.610 122.099 -2.489 18978 2483 1 4 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.154 0.026 18978 2484 1 4 . 1 1 18 18 PHE C C 18 176.740 176.740 176.653 0.087 18978 2485 1 4 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.741 -0.721 18978 2486 1 4 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.425 -0.195 18978 2487 1 4 . 1 1 18 18 PHE H H 18 7.940 7.940 7.796 0.144 18978 2488 1 4 . 1 1 19 19 VAL N N 19 116.370 116.370 118.059 -1.689 18978 2489 1 4 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.600 -0.250 18978 2490 1 4 . 1 1 19 19 VAL C C 19 176.400 176.400 177.845 -1.445 18978 2491 1 4 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.921 -0.411 18978 2492 1 4 . 1 1 19 19 VAL CB C 19 31.020 31.020 30.718 0.302 18978 2493 1 4 . 1 1 19 19 VAL H H 19 8.010 8.010 8.026 -0.016 18978 2494 1 4 . 1 1 20 20 ASP N N 20 119.190 119.190 119.877 -0.687 18978 2495 1 4 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.363 -0.053 18978 2496 1 4 . 1 1 20 20 ASP C C 20 178.360 178.360 178.993 -0.633 18978 2497 1 4 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.548 -0.438 18978 2498 1 4 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.035 0.415 18978 2499 1 4 . 1 1 20 20 ASP H H 20 7.420 7.420 7.696 -0.276 18978 2500 1 4 . 1 1 21 21 VAL N N 21 119.830 119.830 120.329 -0.499 18978 2501 1 4 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.609 -0.099 18978 2502 1 4 . 1 1 21 21 VAL C C 21 178.100 178.100 177.859 0.241 18978 2503 1 4 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.269 -0.699 18978 2504 1 4 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.442 -0.032 18978 2505 1 4 . 1 1 21 21 VAL H H 21 7.190 7.190 7.388 -0.198 18978 2506 1 4 . 1 1 22 22 ILE N N 22 118.490 118.490 119.152 -0.662 18978 2507 1 4 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.485 -0.315 18978 2508 1 4 . 1 1 22 22 ILE C C 22 176.660 176.660 178.079 -1.419 18978 2509 1 4 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.787 1.433 18978 2510 1 4 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.254 1.246 18978 2511 1 4 . 1 1 22 22 ILE H H 22 7.660 7.660 7.551 0.109 18978 2512 1 4 . 1 1 23 23 ARG N N 23 118.260 118.260 120.392 -2.132 18978 2513 1 4 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.924 -0.544 18978 2514 1 4 . 1 1 23 23 ARG C C 23 178.060 178.060 178.868 -0.808 18978 2515 1 4 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.947 0.623 18978 2516 1 4 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.080 -0.010 18978 2517 1 4 . 1 1 23 23 ARG H H 23 7.830 7.830 7.686 0.144 18978 2518 1 4 . 1 1 24 24 ILE N N 24 116.750 116.750 118.982 -2.232 18978 2519 1 4 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.785 -0.065 18978 2520 1 4 . 1 1 24 24 ILE C C 24 179.090 179.090 178.134 0.956 18978 2521 1 4 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.476 -0.416 18978 2522 1 4 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.867 0.163 18978 2523 1 4 . 1 1 24 24 ILE H H 24 7.350 7.350 7.695 -0.345 18978 2524 1 4 . 1 1 25 25 LYS N N 25 118.700 118.700 117.618 1.082 18978 2525 1 4 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.031 0.059 18978 2526 1 4 . 1 1 25 25 LYS C C 25 178.560 178.560 178.104 0.456 18978 2527 1 4 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.937 -1.287 18978 2528 1 4 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.929 -0.839 18978 2529 1 4 . 1 1 25 25 LYS H H 25 7.880 7.880 7.496 0.384 18978 2530 1 4 . 1 1 26 26 LEU N N 26 116.380 116.380 117.325 -0.945 18978 2531 1 4 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.212 0.018 18978 2532 1 4 . 1 1 26 26 LEU C C 26 175.880 175.880 177.080 -1.200 18978 2533 1 4 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.651 -1.561 18978 2534 1 4 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.867 0.443 18978 2535 1 4 . 1 1 26 26 LEU H H 26 7.860 7.860 7.751 0.109 18978 2536 1 4 . 1 1 27 27 GLN N N 27 119.210 119.210 117.512 1.698 18978 2537 1 4 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.848 -0.318 18978 2538 1 4 . 1 1 27 27 GLN C C 27 177.480 177.480 177.132 0.348 18978 2539 1 4 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.432 0.938 18978 2540 1 4 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.650 -0.350 18978 2541 1 4 . 1 1 27 27 GLN H H 27 7.190 7.190 7.517 -0.327 18978 2542 1 4 . 1 1 28 28 GLY N N 28 113.490 113.490 113.942 -0.452 18978 2543 1 4 . 1 1 28 28 GLY C C 28 174.070 174.070 174.332 -0.262 18978 2544 1 4 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.893 0.387 18978 2545 1 4 . 1 1 28 28 GLY H H 28 8.940 8.940 8.755 0.185 18978 2546 1 4 . 1 1 29 29 LYS N N 29 122.060 122.060 122.497 -0.437 18978 2547 1 4 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.594 -0.194 18978 2548 1 4 . 1 1 29 29 LYS C C 29 175.560 175.560 175.423 0.137 18978 2549 1 4 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.425 0.235 18978 2550 1 4 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.017 -1.147 18978 2551 1 4 . 1 1 29 29 LYS H H 29 8.350 8.350 7.845 0.505 18978 2552 1 4 . 1 1 30 30 THR N N 30 118.150 118.150 117.204 0.946 18978 2553 1 4 . 1 1 30 30 THR HA H 30 5.330 5.330 5.095 0.235 18978 2554 1 4 . 1 1 30 30 THR C C 30 174.860 174.860 174.215 0.645 18978 2555 1 4 . 1 1 30 30 THR CA C 30 62.040 62.040 61.521 0.519 18978 2556 1 4 . 1 1 30 30 THR CB C 30 69.420 69.420 69.957 -0.537 18978 2557 1 4 . 1 1 30 30 THR H H 30 8.410 8.410 8.288 0.122 18978 2558 1 4 . 1 1 31 31 VAL N N 31 122.510 122.510 121.379 1.131 18978 2559 1 4 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.610 -0.040 18978 2560 1 4 . 1 1 31 31 VAL C C 31 172.970 172.970 173.755 -0.785 18978 2561 1 4 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.823 -0.373 18978 2562 1 4 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.895 0.986 18978 2563 1 4 . 1 1 31 31 VAL H H 31 9.140 9.140 8.859 0.281 18978 2564 1 4 . 1 1 32 32 ARG N N 32 120.640 120.640 121.424 -0.784 18978 2565 1 4 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.797 -0.047 18978 2566 1 4 . 1 1 32 32 ARG C C 32 175.650 175.650 175.320 0.330 18978 2567 1 4 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.444 -0.794 18978 2568 1 4 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.466 -0.596 18978 2569 1 4 . 1 1 32 32 ARG H H 32 8.420 8.420 8.867 -0.447 18978 2570 1 4 . 1 1 33 33 THR N N 33 118.590 118.590 116.902 1.688 18978 2571 1 4 . 1 1 33 33 THR HA H 33 3.410 3.410 3.872 -0.462 18978 2572 1 4 . 1 1 33 33 THR C C 33 175.020 175.020 175.960 -0.940 18978 2573 1 4 . 1 1 33 33 THR CA C 33 65.660 65.660 64.720 0.940 18978 2574 1 4 . 1 1 33 33 THR CB C 33 69.400 69.400 68.535 0.865 18978 2575 1 4 . 1 1 33 33 THR H H 33 8.370 8.370 8.488 -0.118 18978 2576 1 4 . 1 1 34 34 GLY N N 34 117.350 117.350 115.709 1.641 18978 2577 1 4 . 1 1 34 34 GLY C C 34 174.350 174.350 174.388 -0.038 18978 2578 1 4 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.743 0.257 18978 2579 1 4 . 1 1 34 34 GLY H H 34 9.090 9.090 8.585 0.505 18978 2580 1 4 . 1 1 35 35 ASP N N 35 122.240 122.240 122.988 -0.748 18978 2581 1 4 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.702 -0.232 18978 2582 1 4 . 1 1 35 35 ASP C C 35 174.570 174.570 175.353 -0.783 18978 2583 1 4 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.581 -0.011 18978 2584 1 4 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.962 -0.283 18978 2585 1 4 . 1 1 35 35 ASP H H 35 8.010 8.010 7.811 0.199 18978 2586 1 4 . 1 1 36 36 VAL N N 36 119.860 119.860 120.510 -0.650 18978 2587 1 4 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.727 0.223 18978 2588 1 4 . 1 1 36 36 VAL C C 36 176.330 176.330 175.709 0.621 18978 2589 1 4 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.253 0.457 18978 2590 1 4 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.811 -0.911 18978 2591 1 4 . 1 1 36 36 VAL H H 36 8.330 8.330 8.256 0.074 18978 2592 1 4 . 1 1 37 37 ILE N N 37 124.990 124.990 128.038 -3.048 18978 2593 1 4 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.526 0.104 18978 2594 1 4 . 1 1 37 37 ILE C C 37 174.400 174.400 174.841 -0.441 18978 2595 1 4 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.407 -1.417 18978 2596 1 4 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.684 0.126 18978 2597 1 4 . 1 1 37 37 ILE H H 37 9.160 9.160 8.658 0.502 18978 2598 1 4 . 1 1 38 38 GLY N N 38 112.060 112.060 112.512 -0.452 18978 2599 1 4 . 1 1 38 38 GLY C C 38 172.920 172.920 173.578 -0.658 18978 2600 1 4 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.323 0.257 18978 2601 1 4 . 1 1 38 38 GLY H H 38 8.660 8.660 8.410 0.250 18978 2602 1 4 . 1 1 39 39 ILE N N 39 123.220 123.220 124.189 -0.969 18978 2603 1 4 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.391 -0.021 18978 2604 1 4 . 1 1 39 39 ILE C C 39 174.500 174.500 175.286 -0.786 18978 2605 1 4 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.433 -0.883 18978 2606 1 4 . 1 1 39 39 ILE CB C 39 41.300 41.300 42.069 -0.769 18978 2607 1 4 . 1 1 39 39 ILE H H 39 8.810 8.810 8.096 0.714 18978 2608 1 4 . 1 1 40 40 SER N N 40 121.430 121.430 121.891 -0.461 18978 2609 1 4 . 1 1 40 40 SER HA H 40 4.830 4.830 4.760 0.070 18978 2610 1 4 . 1 1 40 40 SER C C 40 174.130 174.130 173.926 0.204 18978 2611 1 4 . 1 1 40 40 SER CA C 40 57.770 57.770 57.937 -0.167 18978 2612 1 4 . 1 1 40 40 SER CB C 40 63.040 63.040 63.279 -0.238 18978 2613 1 4 . 1 1 40 40 SER H H 40 8.540 8.540 8.683 -0.143 18978 2614 1 4 . 1 1 41 41 ILE N N 41 127.060 127.060 128.236 -1.176 18978 2615 1 4 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.429 -0.139 18978 2616 1 4 . 1 1 41 41 ILE C C 41 175.280 175.280 175.933 -0.653 18978 2617 1 4 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.456 0.794 18978 2618 1 4 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.677 1.163 18978 2619 1 4 . 1 1 41 41 ILE H H 41 8.930 8.930 8.613 0.317 18978 2620 1 4 . 1 1 42 42 LEU N N 42 126.770 126.770 127.344 -0.574 18978 2621 1 4 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.961 -0.071 18978 2622 1 4 . 1 1 42 42 LEU C C 42 177.130 177.130 177.069 0.061 18978 2623 1 4 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.419 0.142 18978 2624 1 4 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.138 -0.768 18978 2625 1 4 . 1 1 42 42 LEU H H 42 9.380 9.380 9.199 0.181 18978 2626 1 4 . 1 1 43 43 GLY N N 43 103.820 103.820 105.075 -1.255 18978 2627 1 4 . 1 1 43 43 GLY C C 43 173.690 173.690 173.492 0.198 18978 2628 1 4 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.292 0.048 18978 2629 1 4 . 1 1 43 43 GLY H H 43 8.310 8.310 8.766 -0.456 18978 2630 1 4 . 1 1 44 44 LYS N N 44 121.160 121.160 120.194 0.966 18978 2631 1 4 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.560 0.000 18978 2632 1 4 . 1 1 44 44 LYS C C 44 174.550 174.550 174.616 -0.066 18978 2633 1 4 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.042 -0.902 18978 2634 1 4 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.612 -0.992 18978 2635 1 4 . 1 1 44 44 LYS H H 44 7.730 7.730 7.596 0.134 18978 2636 1 4 . 1 1 45 45 GLU N N 45 124.090 124.090 127.609 -3.519 18978 2637 1 4 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.488 -0.208 18978 2638 1 4 . 1 1 45 45 GLU C C 45 175.730 175.730 175.303 0.427 18978 2639 1 4 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.335 0.395 18978 2640 1 4 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.543 -0.473 18978 2641 1 4 . 1 1 45 45 GLU H H 45 8.490 8.490 8.703 -0.213 18978 2642 1 4 . 1 1 46 46 VAL N N 46 129.960 129.960 127.245 2.715 18978 2643 1 4 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.277 -0.247 18978 2644 1 4 . 1 1 46 46 VAL C C 46 174.610 174.610 173.584 1.026 18978 2645 1 4 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.085 1.595 18978 2646 1 4 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.700 0.180 18978 2647 1 4 . 1 1 46 46 VAL H H 46 8.920 8.920 8.386 0.534 18978 2648 1 4 . 1 1 47 47 LYS N N 47 124.790 124.790 128.060 -3.270 18978 2649 1 4 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.649 0.471 18978 2650 1 4 . 1 1 47 47 LYS C C 47 175.380 175.380 175.378 0.002 18978 2651 1 4 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.211 -0.011 18978 2652 1 4 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.683 0.987 18978 2653 1 4 . 1 1 47 47 LYS H H 47 7.860 7.860 8.441 -0.581 18978 2654 1 4 . 1 1 48 48 PHE N N 48 118.270 118.270 123.708 -5.438 18978 2655 1 4 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.213 -0.253 18978 2656 1 4 . 1 1 48 48 PHE C C 48 173.950 173.950 174.903 -0.953 18978 2657 1 4 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.681 0.229 18978 2658 1 4 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.469 1.481 18978 2659 1 4 . 1 1 48 48 PHE H H 48 9.270 9.270 8.671 0.599 18978 2660 1 4 . 1 1 49 49 LYS N N 49 121.960 121.960 123.165 -1.205 18978 2661 1 4 . 1 1 49 49 LYS HA H 49 4.910 4.910 5.026 -0.116 18978 2662 1 4 . 1 1 49 49 LYS C C 49 176.230 176.230 175.617 0.613 18978 2663 1 4 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.348 -0.438 18978 2664 1 4 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.073 -0.903 18978 2665 1 4 . 1 1 49 49 LYS H H 49 9.170 9.170 8.592 0.578 18978 2666 1 4 . 1 1 50 50 VAL N N 50 127.140 127.140 127.618 -0.478 18978 2667 1 4 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.979 0.191 18978 2668 1 4 . 1 1 50 50 VAL C C 50 175.500 175.500 176.209 -0.709 18978 2669 1 4 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.490 -1.510 18978 2670 1 4 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.046 -1.556 18978 2671 1 4 . 1 1 50 50 VAL H H 50 9.400 9.400 8.337 1.063 18978 2672 1 4 . 1 1 51 51 VAL N N 51 132.840 132.840 128.730 4.110 18978 2673 1 4 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.861 -0.211 18978 2674 1 4 . 1 1 51 51 VAL C C 51 176.440 176.440 176.339 0.101 18978 2675 1 4 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.018 -0.088 18978 2676 1 4 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.273 -0.143 18978 2677 1 4 . 1 1 51 51 VAL H H 51 8.390 8.390 8.250 0.140 18978 2678 1 4 . 1 1 52 52 GLN N N 52 114.500 114.500 114.337 0.163 18978 2679 1 4 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.542 -0.272 18978 2680 1 4 . 1 1 52 52 GLN C C 52 172.290 172.290 173.458 -1.168 18978 2681 1 4 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.074 1.567 18978 2682 1 4 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.801 -1.171 18978 2683 1 4 . 1 1 52 52 GLN H H 52 7.470 7.470 7.475 -0.005 18978 2684 1 4 . 1 1 53 53 ALA N N 53 131.410 131.410 124.881 6.529 18978 2685 1 4 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.923 -0.093 18978 2686 1 4 . 1 1 53 53 ALA C C 53 174.270 174.270 174.909 -0.639 18978 2687 1 4 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.605 0.195 18978 2688 1 4 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.410 -2.309 18978 2689 1 4 . 1 1 53 53 ALA H H 53 8.200 8.200 8.445 -0.245 18978 2690 1 4 . 1 1 54 54 TYR N N 54 124.140 124.140 123.795 0.345 18978 2691 1 4 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.006 -0.466 18978 2692 1 4 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.606 -1.336 18978 2693 1 4 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.277 -0.917 18978 2694 1 4 . 1 1 54 54 TYR H H 54 8.860 8.860 8.562 0.298 18978 2695 1 4 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.275 -0.155 18978 2696 1 4 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.367 1.083 18978 2697 1 4 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.952 1.218 18978 2698 1 4 . 1 1 56 56 SER N N 56 106.200 106.200 114.012 -7.812 18978 2699 1 4 . 1 1 56 56 SER HA H 56 4.720 4.720 4.848 -0.128 18978 2700 1 4 . 1 1 56 56 SER CA C 56 54.250 54.250 56.029 -1.779 18978 2701 1 4 . 1 1 56 56 SER CB C 56 64.530 64.530 64.204 0.326 18978 2702 1 4 . 1 1 56 56 SER H H 56 7.380 7.380 8.070 -0.690 18978 2703 1 4 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.396 0.484 18978 2704 1 4 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.859 0.131 18978 2705 1 4 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.612 2.608 18978 2706 1 4 . 1 1 58 58 LEU N N 58 120.480 120.480 123.242 -2.762 18978 2707 1 4 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.677 -0.247 18978 2708 1 4 . 1 1 58 58 LEU C C 58 174.570 174.570 175.392 -0.822 18978 2709 1 4 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.966 -0.066 18978 2710 1 4 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.338 -1.128 18978 2711 1 4 . 1 1 58 58 LEU H H 58 8.960 8.960 8.375 0.585 18978 2712 1 4 . 1 1 59 59 ARG N N 59 125.180 125.180 125.768 -0.588 18978 2713 1 4 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.513 0.417 18978 2714 1 4 . 1 1 59 59 ARG C C 59 175.460 175.460 175.337 0.123 18978 2715 1 4 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.114 -1.074 18978 2716 1 4 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.452 -0.902 18978 2717 1 4 . 1 1 59 59 ARG H H 59 8.130 8.130 8.561 -0.431 18978 2718 1 4 . 1 1 60 60 VAL N N 60 128.170 128.170 128.383 -0.213 18978 2719 1 4 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.039 -0.629 18978 2720 1 4 . 1 1 60 60 VAL C C 60 175.460 175.460 174.815 0.645 18978 2721 1 4 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.371 1.839 18978 2722 1 4 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.904 -2.064 18978 2723 1 4 . 1 1 60 60 VAL H H 60 8.450 8.450 8.278 0.172 18978 2724 1 4 . 1 1 61 61 GLU N N 61 127.670 127.670 127.476 0.194 18978 2725 1 4 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.587 0.283 18978 2726 1 4 . 1 1 61 61 GLU C C 61 176.960 176.960 176.467 0.493 18978 2727 1 4 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.675 -0.345 18978 2728 1 4 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.306 -0.026 18978 2729 1 4 . 1 1 61 61 GLU H H 61 8.620 8.620 7.771 0.849 18978 2730 1 4 . 1 1 62 62 ASP N N 62 121.140 121.140 121.491 -0.351 18978 2731 1 4 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.326 -0.176 18978 2732 1 4 . 1 1 62 62 ASP C C 62 177.460 177.460 177.208 0.252 18978 2733 1 4 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.033 0.587 18978 2734 1 4 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.570 -0.210 18978 2735 1 4 . 1 1 62 62 ASP H H 62 8.700 8.700 8.758 -0.058 18978 2736 1 4 . 1 1 63 63 ARG N N 63 112.890 112.890 116.908 -4.018 18978 2737 1 4 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.312 -0.032 18978 2738 1 4 . 1 1 63 63 ARG C C 63 176.510 176.510 176.332 0.178 18978 2739 1 4 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.684 -1.234 18978 2740 1 4 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.542 -0.552 18978 2741 1 4 . 1 1 63 63 ARG H H 63 7.760 7.760 8.185 -0.425 18978 2742 1 4 . 1 1 64 64 THR N N 64 120.650 120.650 116.448 4.202 18978 2743 1 4 . 1 1 64 64 THR HA H 64 4.020 4.020 4.332 -0.312 18978 2744 1 4 . 1 1 64 64 THR C C 64 173.810 173.810 174.225 -0.415 18978 2745 1 4 . 1 1 64 64 THR CA C 64 64.060 64.060 63.878 0.182 18978 2746 1 4 . 1 1 64 64 THR CB C 64 69.350 69.350 69.319 0.031 18978 2747 1 4 . 1 1 64 64 THR H H 64 7.700 7.700 7.601 0.099 18978 2748 1 4 . 1 1 65 65 LYS N N 65 130.950 130.950 127.456 3.494 18978 2749 1 4 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.503 -0.233 18978 2750 1 4 . 1 1 65 65 LYS C C 65 174.560 174.560 175.217 -0.657 18978 2751 1 4 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.941 0.339 18978 2752 1 4 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.776 -0.656 18978 2753 1 4 . 1 1 65 65 LYS H H 65 8.520 8.520 8.133 0.387 18978 2754 1 4 . 1 1 66 66 ILE N N 66 128.020 128.020 125.067 2.953 18978 2755 1 4 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.868 -0.018 18978 2756 1 4 . 1 1 66 66 ILE C C 66 174.650 174.650 176.150 -1.500 18978 2757 1 4 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.197 -0.377 18978 2758 1 4 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.196 -1.916 18978 2759 1 4 . 1 1 66 66 ILE H H 66 8.430 8.430 8.587 -0.157 18978 2760 1 4 . 1 1 67 67 THR N N 67 123.870 123.870 123.092 0.778 18978 2761 1 4 . 1 1 67 67 THR HA H 67 4.470 4.470 4.699 -0.229 18978 2762 1 4 . 1 1 67 67 THR C C 67 172.760 172.760 172.614 0.146 18978 2763 1 4 . 1 1 67 67 THR CA C 67 60.740 60.740 61.164 -0.424 18978 2764 1 4 . 1 1 67 67 THR CB C 67 71.320 71.320 71.252 0.068 18978 2765 1 4 . 1 1 67 67 THR H H 67 8.870 8.870 8.399 0.471 18978 2766 1 4 . 1 1 68 68 LEU N N 68 127.070 127.070 127.293 -0.223 18978 2767 1 4 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.056 0.084 18978 2768 1 4 . 1 1 68 68 LEU C C 68 176.610 176.610 176.155 0.455 18978 2769 1 4 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.633 -0.353 18978 2770 1 4 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.869 -1.269 18978 2771 1 4 . 1 1 68 68 LEU H H 68 8.820 8.820 8.515 0.305 18978 2772 1 4 . 1 1 69 69 VAL N N 69 124.120 124.120 127.873 -3.753 18978 2773 1 4 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.204 0.056 18978 2774 1 4 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.265 -0.915 18978 2775 1 4 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.303 0.487 18978 2776 1 4 . 1 1 69 69 VAL H H 69 8.800 8.800 8.491 0.309 18978 2777 1 4 . 1 1 70 70 THR N N 70 114.500 114.500 121.626 -7.126 18978 2778 1 4 . 1 1 70 70 THR HA H 70 4.410 4.410 4.363 0.047 18978 2779 1 4 . 1 1 70 70 THR CA C 70 60.800 60.800 61.489 -0.689 18978 2780 1 4 . 1 1 70 70 THR CB C 70 69.650 69.650 69.778 -0.127 18978 2781 1 4 . 1 1 70 70 THR H H 70 8.160 8.160 8.334 -0.174 18978 2782 1 4 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.430 -0.500 18978 2783 1 4 . 1 1 72 72 PRO CA C 72 64.520 64.520 64.098 0.422 18978 2784 1 4 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.295 1.845 18978 2785 1 4 . 1 1 73 73 VAL N N 73 117.500 117.500 115.815 1.685 18978 2786 1 4 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.519 0.001 18978 2787 1 4 . 1 1 73 73 VAL C C 73 174.100 174.100 174.250 -0.150 18978 2788 1 4 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.047 -0.037 18978 2789 1 4 . 1 1 73 73 VAL CB C 73 33.330 33.330 35.156 -1.826 18978 2790 1 4 . 1 1 73 73 VAL H H 73 7.410 7.410 7.564 -0.154 18978 2791 1 4 . 1 1 74 74 ASP N N 74 124.500 124.500 122.466 2.034 18978 2792 1 4 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.896 0.014 18978 2793 1 4 . 1 1 74 74 ASP C C 74 174.000 174.000 175.583 -1.583 18978 2794 1 4 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.629 -0.179 18978 2795 1 4 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.701 1.649 18978 2796 1 4 . 1 1 74 74 ASP H H 74 8.290 8.290 8.351 -0.061 18978 2797 1 4 . 1 1 75 75 VAL N N 75 122.400 122.400 123.279 -0.879 18978 2798 1 4 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.351 0.339 18978 2799 1 4 . 1 1 75 75 VAL C C 75 174.600 174.600 175.124 -0.524 18978 2800 1 4 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.239 -0.039 18978 2801 1 4 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.765 0.565 18978 2802 1 4 . 1 1 75 75 VAL H H 75 7.780 7.780 8.418 -0.638 18978 2803 1 4 . 1 1 76 76 LEU N N 76 130.300 130.300 127.340 2.960 18978 2804 1 4 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.672 0.048 18978 2805 1 4 . 1 1 76 76 LEU C C 76 174.400 174.400 176.037 -1.637 18978 2806 1 4 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.283 -0.653 18978 2807 1 4 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.628 1.332 18978 2808 1 4 . 1 1 76 76 LEU H H 76 9.200 9.200 8.408 0.792 18978 2809 1 4 . 1 1 77 77 GLU N N 77 118.600 118.600 122.311 -3.711 18978 2810 1 4 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.515 0.805 18978 2811 1 4 . 1 1 77 77 GLU C C 77 174.900 174.900 175.016 -0.116 18978 2812 1 4 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.788 -1.698 18978 2813 1 4 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.893 2.307 18978 2814 1 4 . 1 1 77 77 GLU H H 77 8.010 8.010 8.530 -0.520 18978 2815 1 4 . 1 1 78 78 ALA N N 78 124.500 124.500 125.129 -0.629 18978 2816 1 4 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.480 0.160 18978 2817 1 4 . 1 1 78 78 ALA C C 78 175.500 175.500 176.993 -1.493 18978 2818 1 4 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.496 -0.816 18978 2819 1 4 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.160 0.650 18978 2820 1 4 . 1 1 78 78 ALA H H 78 8.800 8.800 8.177 0.623 18978 2821 1 4 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.384 0.096 18978 2822 1 4 . 1 1 79 79 LYS C C 79 174.700 174.700 175.606 -0.906 18978 2823 1 4 . 1 1 79 79 LYS CA C 79 56.100 56.100 55.998 0.102 18978 2824 1 4 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.250 -1.310 18978 2825 1 4 . 1 1 80 80 ILE N N 80 127.300 127.300 123.838 3.462 18978 2826 1 4 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.280 -0.200 18978 2827 1 4 . 1 1 80 80 ILE C C 80 172.700 172.700 175.006 -2.306 18978 2828 1 4 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.387 -0.447 18978 2829 1 4 . 1 1 80 80 ILE CB C 80 40.930 40.930 39.126 1.804 18978 2830 1 4 . 1 1 80 80 ILE H H 80 7.380 7.380 8.411 -1.031 18978 2831 1 4 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.466 -0.186 18978 2832 1 4 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.107 0.013 18978 2833 1 4 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.170 -0.420 18978 2834 1 4 . 1 1 82 82 GLY N N 82 113.000 113.000 113.686 -0.686 18978 2835 1 4 . 1 1 82 82 GLY C C 82 174.600 174.600 174.120 0.480 18978 2836 1 4 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.558 2.312 18978 2837 1 4 . 1 1 82 82 GLY H H 82 8.210 8.210 8.722 -0.512 18978 2838 1 4 . 1 1 83 83 ILE N N 83 121.200 121.200 119.150 2.050 18978 2839 1 4 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.836 -0.496 18978 2840 1 4 . 1 1 83 83 ILE C C 83 175.000 175.000 176.452 -1.452 18978 2841 1 4 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.303 2.407 18978 2842 1 4 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.741 -0.251 18978 2843 1 4 . 1 1 83 83 ILE H H 83 8.350 8.350 8.080 0.270 18978 2844 1 4 . 1 1 84 84 LYS N N 84 129.400 129.400 129.559 -0.159 18978 2845 1 4 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.302 0.188 18978 2846 1 4 . 1 1 84 84 LYS C C 84 175.000 175.000 176.447 -1.447 18978 2847 1 4 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.155 -1.085 18978 2848 1 4 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.042 0.448 18978 2849 1 4 . 1 1 84 84 LYS H H 84 9.160 9.160 8.850 0.310 18978 2850 1 4 . 1 1 85 85 ASP N N 85 117.500 117.500 116.695 0.805 18978 2851 1 4 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.877 -0.097 18978 2852 1 4 . 1 1 85 85 ASP C C 85 173.200 173.200 173.802 -0.602 18978 2853 1 4 . 1 1 85 85 ASP CA C 85 53.090 53.090 54.014 -0.923 18978 2854 1 4 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.402 -0.912 18978 2855 1 4 . 1 1 85 85 ASP H H 85 7.990 7.990 7.828 0.162 18978 2856 1 4 . 1 1 86 86 VAL N N 86 119.400 119.400 121.564 -2.164 18978 2857 1 4 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.487 0.683 18978 2858 1 4 . 1 1 86 86 VAL C C 86 172.500 172.500 174.920 -2.420 18978 2859 1 4 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.945 -1.195 18978 2860 1 4 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.266 0.894 18978 2861 1 4 . 1 1 86 86 VAL H H 86 8.210 8.210 8.360 -0.150 18978 2862 1 4 . 1 1 87 87 ILE N N 87 127.100 127.100 127.579 -0.479 18978 2863 1 4 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.511 -0.301 18978 2864 1 4 . 1 1 87 87 ILE C C 87 173.600 173.600 174.387 -0.787 18978 2865 1 4 . 1 1 87 87 ILE CA C 87 60.470 60.470 58.895 1.575 18978 2866 1 4 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.018 2.472 18978 2867 1 4 . 1 1 87 87 ILE H H 87 9.190 9.190 8.791 0.399 18978 2868 1 4 . 1 1 88 88 LEU N N 88 125.700 125.700 127.906 -2.206 18978 2869 1 4 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.682 0.358 18978 2870 1 4 . 1 1 88 88 LEU C C 88 174.500 174.500 175.994 -1.494 18978 2871 1 4 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.089 -1.149 18978 2872 1 4 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.142 -0.632 18978 2873 1 4 . 1 1 88 88 LEU H H 88 7.840 7.840 8.553 -0.713 18978 2874 1 4 . 1 1 89 89 ASP N N 89 127.800 127.800 122.927 4.873 18978 2875 1 4 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.906 -0.136 18978 2876 1 4 . 1 1 89 89 ASP C C 89 174.100 174.100 177.009 -2.909 18978 2877 1 4 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.321 0.299 18978 2878 1 4 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.328 -0.258 18978 2879 1 4 . 1 1 89 89 ASP H H 89 8.280 8.280 8.506 -0.226 18978 2880 1 4 . 1 1 90 90 GLU N N 90 122.400 122.400 123.564 -1.164 18978 2881 1 4 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.011 -0.161 18978 2882 1 4 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.266 -0.435 18978 2883 1 4 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.949 -0.539 18978 2884 1 4 . 1 1 90 90 GLU H H 90 8.980 8.980 8.906 0.074 18978 2885 1 4 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.857 -0.578 18978 2886 1 4 . 1 1 91 91 ASN C C 91 173.600 173.600 173.502 0.098 18978 2887 1 4 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.878 1.282 18978 2888 1 4 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.913 -0.014 18978 2889 1 4 . 1 1 92 92 LEU N N 92 117.400 117.400 118.837 -1.437 18978 2890 1 4 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.708 0.322 18978 2891 1 4 . 1 1 92 92 LEU C C 92 174.700 174.700 174.174 0.526 18978 2892 1 4 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.517 -0.817 18978 2893 1 4 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.052 0.198 18978 2894 1 4 . 1 1 92 92 LEU H H 92 7.110 7.110 7.775 -0.665 18978 2895 1 4 . 1 1 93 93 ILE N N 93 121.300 121.300 121.001 0.299 18978 2896 1 4 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.589 -0.139 18978 2897 1 4 . 1 1 93 93 ILE C C 93 174.000 174.000 174.506 -0.506 18978 2898 1 4 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.758 0.212 18978 2899 1 4 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.720 -0.090 18978 2900 1 4 . 1 1 93 93 ILE H H 93 8.450 8.450 8.394 0.056 18978 2901 1 4 . 1 1 94 94 VAL N N 94 128.000 128.000 127.599 0.401 18978 2902 1 4 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.973 -0.133 18978 2903 1 4 . 1 1 94 94 VAL C C 94 174.000 174.000 174.720 -0.720 18978 2904 1 4 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.845 0.255 18978 2905 1 4 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.038 -1.918 18978 2906 1 4 . 1 1 94 94 VAL H H 94 8.970 8.970 8.522 0.448 18978 2907 1 4 . 1 1 95 95 VAL N N 95 127.700 127.700 127.083 0.617 18978 2908 1 4 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.610 0.060 18978 2909 1 4 . 1 1 95 95 VAL C C 95 173.300 173.300 174.708 -1.408 18978 2910 1 4 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.978 -0.138 18978 2911 1 4 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.992 -0.752 18978 2912 1 4 . 1 1 95 95 VAL H H 95 9.420 9.420 8.631 0.789 18978 2913 1 4 . 1 1 96 96 ILE N N 96 126.000 126.000 127.462 -1.462 18978 2914 1 4 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.070 0.150 18978 2915 1 4 . 1 1 96 96 ILE C C 96 177.100 177.100 175.795 1.305 18978 2916 1 4 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.696 -0.126 18978 2917 1 4 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.333 0.417 18978 2918 1 4 . 1 1 96 96 ILE H H 96 8.460 8.460 8.720 -0.260 18978 2919 1 4 . 1 1 97 97 THR N N 97 118.100 118.100 118.519 -0.419 18978 2920 1 4 . 1 1 97 97 THR HA H 97 5.250 5.250 4.882 0.368 18978 2921 1 4 . 1 1 97 97 THR C C 97 176.300 176.300 176.196 0.104 18978 2922 1 4 . 1 1 97 97 THR CA C 97 59.650 59.650 59.724 -0.074 18978 2923 1 4 . 1 1 97 97 THR CB C 97 71.890 71.890 71.230 0.660 18978 2924 1 4 . 1 1 97 97 THR H H 97 9.050 9.050 8.514 0.536 18978 2925 1 4 . 1 1 98 98 GLU N N 98 120.100 120.100 122.465 -2.365 18978 2926 1 4 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.944 0.176 18978 2927 1 4 . 1 1 98 98 GLU C C 98 176.200 176.200 178.020 -1.820 18978 2928 1 4 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.755 -1.865 18978 2929 1 4 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.417 0.113 18978 2930 1 4 . 1 1 98 98 GLU H H 98 9.220 9.220 8.291 0.929 18978 2931 1 4 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.240 -0.090 18978 2932 1 4 . 1 1 99 99 GLU C C 99 174.200 174.200 175.660 -1.460 18978 2933 1 4 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.115 2.095 18978 2934 1 4 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.652 1.218 18978 2935 1 4 . 1 1 100 100 ASN N N 100 113.200 113.200 114.586 -1.386 18978 2936 1 4 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.358 -0.248 18978 2937 1 4 . 1 1 100 100 ASN C C 100 173.700 173.700 173.424 0.276 18978 2938 1 4 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.431 -0.031 18978 2939 1 4 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.444 -0.584 18978 2940 1 4 . 1 1 100 100 ASN H H 100 8.020 8.020 8.213 -0.193 18978 2941 1 4 . 1 1 101 101 GLU N N 101 115.500 115.500 118.203 -2.703 18978 2942 1 4 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.782 0.368 18978 2943 1 4 . 1 1 101 101 GLU C C 101 174.900 174.900 174.380 0.520 18978 2944 1 4 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.101 -0.051 18978 2945 1 4 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.157 -1.757 18978 2946 1 4 . 1 1 101 101 GLU H H 101 7.230 7.230 7.400 -0.170 18978 2947 1 4 . 1 1 102 102 VAL N N 102 122.700 122.700 124.524 -1.824 18978 2948 1 4 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.673 0.247 18978 2949 1 4 . 1 1 102 102 VAL C C 102 173.700 173.700 174.374 -0.674 18978 2950 1 4 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.025 -0.105 18978 2951 1 4 . 1 1 102 102 VAL CB C 102 33.810 33.810 32.949 0.862 18978 2952 1 4 . 1 1 102 102 VAL H H 102 8.710 8.710 8.737 -0.027 18978 2953 1 4 . 1 1 103 103 LEU N N 103 127.300 127.300 128.429 -1.129 18978 2954 1 4 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.728 -0.428 18978 2955 1 4 . 1 1 103 103 LEU C C 103 174.500 174.500 175.388 -0.888 18978 2956 1 4 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.688 0.132 18978 2957 1 4 . 1 1 103 103 LEU H H 103 9.140 9.140 8.543 0.597 18978 2958 1 4 . 1 1 104 104 ILE N N 104 122.200 122.200 121.775 0.425 18978 2959 1 4 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.653 0.087 18978 2960 1 4 . 1 1 104 104 ILE C C 104 173.600 173.600 174.591 -0.991 18978 2961 1 4 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.495 -0.275 18978 2962 1 4 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.375 -0.225 18978 2963 1 4 . 1 1 104 104 ILE H H 104 8.470 8.470 8.459 0.011 18978 2964 1 4 . 1 1 105 105 PHE N N 105 126.600 126.600 125.942 0.658 18978 2965 1 4 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.665 -0.095 18978 2966 1 4 . 1 1 105 105 PHE C C 105 175.800 175.800 175.357 0.443 18978 2967 1 4 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.871 -0.421 18978 2968 1 4 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.459 1.211 18978 2969 1 4 . 1 1 105 105 PHE H H 105 9.330 9.330 9.098 0.232 18978 2970 1 4 . 1 1 106 106 ASN N N 106 116.000 116.000 118.582 -2.582 18978 2971 1 4 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.028 0.442 18978 2972 1 4 . 1 1 106 106 ASN C C 106 176.700 176.700 177.069 -0.369 18978 2973 1 4 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.184 -0.684 18978 2974 1 4 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.475 -0.875 18978 2975 1 4 . 1 1 106 106 ASN H H 106 7.710 7.710 8.217 -0.507 18978 2976 1 4 . 1 1 107 107 GLN N N 107 114.500 114.500 119.380 -4.880 18978 2977 1 4 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.115 -0.225 18978 2978 1 4 . 1 1 107 107 GLN C C 107 173.700 173.700 176.267 -2.567 18978 2979 1 4 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.745 -1.235 18978 2980 1 4 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.595 -1.505 18978 2981 1 4 . 1 1 107 107 GLN H H 107 8.040 8.040 8.743 -0.703 18978 2982 1 4 . 1 1 108 108 ASN N N 108 115.800 115.800 115.764 0.036 18978 2983 1 4 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.693 -0.023 18978 2984 1 4 . 1 1 108 108 ASN C C 108 173.600 173.600 174.702 -1.102 18978 2985 1 4 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.781 -0.691 18978 2986 1 4 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.645 0.215 18978 2987 1 4 . 1 1 108 108 ASN H H 108 7.440 7.440 7.717 -0.277 18978 2988 1 4 . 1 1 109 109 LEU N N 109 115.200 115.200 117.157 -1.957 18978 2989 1 4 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.691 -0.161 18978 2990 1 4 . 1 1 109 109 LEU C C 109 174.700 174.700 175.344 -0.644 18978 2991 1 4 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.111 -0.341 18978 2992 1 4 . 1 1 109 109 LEU CB C 109 38.700 38.700 38.712 -0.011 18978 2993 1 4 . 1 1 109 109 LEU H H 109 8.220 8.220 7.673 0.547 18978 2994 1 4 . 1 1 110 110 GLU N N 110 117.600 117.600 119.254 -1.654 18978 2995 1 4 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.641 -0.221 18978 2996 1 4 . 1 1 110 110 GLU C C 110 175.800 175.800 176.217 -0.417 18978 2997 1 4 . 1 1 110 110 GLU CA C 110 55.180 55.180 55.121 0.059 18978 2998 1 4 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.636 -2.816 18978 2999 1 4 . 1 1 110 110 GLU H H 110 7.550 7.550 8.222 -0.672 18978 3000 1 4 . 1 1 111 111 GLU N N 111 125.900 125.900 123.809 2.091 18978 3001 1 4 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.020 -0.190 18978 3002 1 4 . 1 1 111 111 GLU C C 111 175.400 175.400 176.044 -0.644 18978 3003 1 4 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.718 -1.078 18978 3004 1 4 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.656 0.964 18978 3005 1 4 . 1 1 111 111 GLU H H 111 8.350 8.350 8.984 -0.634 18978 3006 1 4 . 1 1 112 112 LEU N N 112 128.000 128.000 126.664 1.336 18978 3007 1 4 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.435 -0.165 18978 3008 1 4 . 1 1 112 112 LEU C C 112 176.100 176.100 176.572 -0.472 18978 3009 1 4 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.630 -0.600 18978 3010 1 4 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.870 -1.100 18978 3011 1 4 . 1 1 112 112 LEU H H 112 9.110 9.110 8.292 0.818 18978 3012 1 4 . 1 1 113 113 TYR N N 113 116.300 116.300 119.410 -3.110 18978 3013 1 4 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.652 -0.322 18978 3014 1 4 . 1 1 113 113 TYR C C 113 171.700 171.700 172.846 -1.146 18978 3015 1 4 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.558 0.402 18978 3016 1 4 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.094 -0.374 18978 3017 1 4 . 1 1 113 113 TYR H H 113 7.250 7.250 7.486 -0.236 18978 3018 1 4 . 1 1 114 114 ARG N N 114 126.200 126.200 123.976 2.224 18978 3019 1 4 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.074 -0.054 18978 3020 1 4 . 1 1 114 114 ARG C C 114 173.500 173.500 174.062 -0.562 18978 3021 1 4 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.613 0.007 18978 3022 1 4 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.760 0.690 18978 3023 1 4 . 1 1 114 114 ARG H H 114 6.560 6.560 7.753 -1.193 18978 3024 1 4 . 1 1 115 115 GLY N N 115 111.300 111.300 110.284 1.016 18978 3025 1 4 . 1 1 115 115 GLY C C 115 178.100 178.100 171.248 6.852 18978 3026 1 4 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.854 -0.444 18978 3027 1 4 . 1 1 115 115 GLY H H 115 8.320 8.320 8.472 -0.152 18978 3028 1 4 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.555 0.215 18978 3029 1 4 . 1 1 116 116 LYS C C 116 174.400 174.400 174.756 -0.356 18978 3030 1 4 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.193 -0.003 18978 3031 1 4 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.215 -0.875 18978 3032 1 4 . 1 1 117 117 PHE N N 117 125.800 125.800 123.779 2.021 18978 3033 1 4 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.859 -0.309 18978 3034 1 4 . 1 1 117 117 PHE C C 117 174.000 174.000 176.259 -2.259 18978 3035 1 4 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.970 -0.120 18978 3036 1 4 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.641 0.519 18978 3037 1 4 . 1 1 117 117 PHE H H 117 8.090 8.090 8.599 -0.509 18978 3038 1 4 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.844 -0.184 18978 3039 1 4 . 1 1 119 119 ASN C C 119 173.500 173.500 174.525 -1.025 18978 3040 1 4 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.658 -0.178 18978 3041 1 4 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.435 -0.245 18978 3042 1 4 . 1 1 120 120 LEU N N 120 120.200 120.200 121.703 -1.503 18978 3043 1 4 . 1 1 120 120 LEU HA H 120 3.830 3.830 3.999 -0.169 18978 3044 1 4 . 1 1 120 120 LEU C C 120 175.000 175.000 175.706 -0.706 18978 3045 1 4 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.392 -0.122 18978 3046 1 4 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.923 0.847 18978 3047 1 4 . 1 1 120 120 LEU H H 120 6.900 6.900 7.628 -0.728 18978 3048 1 4 . 1 1 121 121 ASN N N 121 124.200 124.200 124.418 -0.218 18978 3049 1 4 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.915 -0.025 18978 3050 1 4 . 1 1 121 121 ASN C C 121 174.300 174.300 175.088 -0.788 18978 3051 1 4 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.642 -0.762 18978 3052 1 4 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.673 -0.234 18978 3053 1 4 . 1 1 121 121 ASN H H 121 8.900 8.900 8.585 0.315 18978 3054 1 4 . 1 1 122 122 LYS N N 122 115.100 115.100 119.824 -4.724 18978 3055 1 4 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.605 -0.135 18978 3056 1 4 . 1 1 122 122 LYS C C 122 172.500 172.500 174.230 -1.730 18978 3057 1 4 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.523 0.178 18978 3058 1 4 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.282 -0.622 18978 3059 1 4 . 1 1 122 122 LYS H H 122 7.410 7.410 7.777 -0.367 18978 3060 1 4 . 1 1 123 123 VAL N N 123 121.500 121.500 121.911 -0.411 18978 3061 1 4 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.491 0.329 18978 3062 1 4 . 1 1 123 123 VAL C C 123 173.400 173.400 174.793 -1.393 18978 3063 1 4 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.253 -0.563 18978 3064 1 4 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.029 1.121 18978 3065 1 4 . 1 1 123 123 VAL H H 123 7.730 7.730 8.435 -0.705 18978 3066 1 4 . 1 1 124 124 LEU N N 124 126.600 126.600 130.046 -3.446 18978 3067 1 4 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.912 -0.192 18978 3068 1 4 . 1 1 124 124 LEU C C 124 174.200 174.200 174.376 -0.176 18978 3069 1 4 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.306 -0.925 18978 3070 1 4 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.974 -0.864 18978 3071 1 4 . 1 1 124 124 LEU H H 124 9.060 9.060 8.405 0.655 18978 3072 1 4 . 1 1 125 125 VAL N N 125 120.300 120.300 123.889 -3.589 18978 3073 1 4 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.584 0.086 18978 3074 1 4 . 1 1 125 125 VAL C C 125 174.700 174.700 174.314 0.386 18978 3075 1 4 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.253 0.037 18978 3076 1 4 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.985 0.265 18978 3077 1 4 . 1 1 125 125 VAL H H 125 8.030 8.030 8.411 -0.381 18978 3078 1 4 . 1 1 126 126 ARG N N 126 127.100 127.100 127.034 0.066 18978 3079 1 4 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.965 -0.495 18978 3080 1 4 . 1 1 126 126 ARG C C 126 174.400 174.400 175.734 -1.334 18978 3081 1 4 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.308 2.522 18978 3082 1 4 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.534 -1.234 18978 3083 1 4 . 1 1 126 126 ARG H H 126 8.630 8.630 8.483 0.147 18978 3084 1 4 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.352 -0.062 18978 3085 1 4 . 1 1 127 127 ASN C C 127 172.600 172.600 175.295 -2.695 18978 3086 1 4 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.315 -0.255 18978 3087 1 4 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.420 -0.471 18978 3088 1 4 . 1 1 128 128 ASP N N 128 117.600 117.600 121.194 -3.594 18978 3089 1 4 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.714 -0.264 18978 3090 1 4 . 1 1 128 128 ASP C C 128 174.000 174.000 175.714 -1.714 18978 3091 1 4 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.004 -0.484 18978 3092 1 4 . 1 1 128 128 ASP CB C 128 39.810 39.810 42.142 -2.332 18978 3093 1 4 . 1 1 128 128 ASP H H 128 8.560 8.560 8.351 0.209 18978 3094 1 4 . 1 1 129 129 LEU N N 129 121.500 121.500 120.132 1.368 18978 3095 1 4 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.670 0.400 18978 3096 1 4 . 1 1 129 129 LEU C C 129 174.800 174.800 174.491 0.309 18978 3097 1 4 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.225 -0.425 18978 3098 1 4 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.982 0.138 18978 3099 1 4 . 1 1 129 129 LEU H H 129 7.730 7.730 7.836 -0.106 18978 3100 1 4 . 1 1 130 130 VAL N N 130 120.600 120.600 121.795 -1.195 18978 3101 1 4 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.645 0.065 18978 3102 1 4 . 1 1 130 130 VAL C C 130 173.500 173.500 173.441 0.059 18978 3103 1 4 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.323 0.197 18978 3104 1 4 . 1 1 130 130 VAL CB C 130 33.750 33.750 36.005 -2.255 18978 3105 1 4 . 1 1 130 130 VAL H H 130 8.410 8.410 8.039 0.371 18978 3106 1 4 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.701 -0.101 18978 3107 1 4 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.857 -0.267 18978 3108 1 4 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.827 -1.967 18978 3109 1 4 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.433 -0.133 18978 3110 1 4 . 1 1 132 132 ILE C C 132 174.900 174.900 174.279 0.621 18978 3111 1 4 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.080 0.400 18978 3112 1 4 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.915 -0.865 18978 3113 1 4 . 1 1 133 133 ILE N N 133 126.200 126.200 126.635 -0.435 18978 3114 1 4 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.416 0.254 18978 3115 1 4 . 1 1 133 133 ILE C C 133 174.200 174.200 174.083 0.117 18978 3116 1 4 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.581 1.349 18978 3117 1 4 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.874 1.246 18978 3118 1 4 . 1 1 133 133 ILE H H 133 8.490 8.490 8.632 -0.142 18978 3119 1 4 . 1 1 134 134 ASP N N 134 130.100 130.100 125.532 4.568 18978 3120 1 4 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.238 -0.288 18978 3121 1 4 . 1 1 134 134 ASP C C 134 174.600 174.600 176.638 -2.038 18978 3122 1 4 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.999 0.391 18978 3123 1 4 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.861 -0.491 18978 3124 1 4 . 1 1 134 134 ASP H H 134 8.360 8.360 8.159 0.201 18978 3125 1 4 . 1 1 135 135 GLU N N 135 118.000 118.000 121.158 -3.158 18978 3126 1 4 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.927 0.283 18978 3127 1 4 . 1 1 135 135 GLU C C 135 176.200 176.200 177.383 -1.183 18978 3128 1 4 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.145 -0.395 18978 3129 1 4 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.721 0.569 18978 3130 1 4 . 1 1 135 135 GLU H H 135 7.840 7.840 8.430 -0.590 18978 3131 1 4 . 1 1 136 136 GLN N N 136 115.200 115.200 115.719 -0.519 18978 3132 1 4 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.257 0.613 18978 3133 1 4 . 1 1 136 136 GLN C C 136 174.900 174.900 175.756 -0.856 18978 3134 1 4 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.892 -1.393 18978 3135 1 4 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.043 0.887 18978 3136 1 4 . 1 1 136 136 GLN H H 136 8.860 8.860 8.297 0.563 18978 3137 1 4 . 1 1 137 137 LYS N N 137 118.100 118.100 115.101 2.999 18978 3138 1 4 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.496 0.414 18978 3139 1 4 . 1 1 137 137 LYS C C 137 172.400 172.400 173.683 -1.283 18978 3140 1 4 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.260 0.640 18978 3141 1 4 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.816 0.724 18978 3142 1 4 . 1 1 137 137 LYS H H 137 8.260 8.260 8.041 0.219 18978 3143 1 4 . 1 1 138 138 LEU N N 138 123.500 123.500 121.824 1.676 18978 3144 1 4 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.724 0.136 18978 3145 1 4 . 1 1 138 138 LEU C C 138 174.400 174.400 175.965 -1.565 18978 3146 1 4 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.755 -0.245 18978 3147 1 4 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.586 0.374 18978 3148 1 4 . 1 1 138 138 LEU H H 138 8.410 8.410 8.433 -0.023 18978 3149 1 4 . 1 1 139 139 THR N N 139 123.600 123.600 123.023 0.577 18978 3150 1 4 . 1 1 139 139 THR HA H 139 4.830 4.830 4.644 0.186 18978 3151 1 4 . 1 1 139 139 THR C C 139 171.400 171.400 172.514 -1.114 18978 3152 1 4 . 1 1 139 139 THR CA C 139 62.240 62.240 61.874 0.366 18978 3153 1 4 . 1 1 139 139 THR CB C 139 70.120 70.120 70.053 0.067 18978 3154 1 4 . 1 1 139 139 THR H H 139 8.820 8.820 8.350 0.470 18978 3155 1 4 . 1 1 140 140 LEU N N 140 130.500 130.500 128.938 1.562 18978 3156 1 4 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.591 0.439 18978 3157 1 4 . 1 1 140 140 LEU C C 140 173.700 173.700 175.297 -1.597 18978 3158 1 4 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.186 -0.806 18978 3159 1 4 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.778 1.112 18978 3160 1 4 . 1 1 140 140 LEU H H 140 9.250 9.250 8.656 0.594 18978 3161 1 4 . 1 1 141 141 ILE N N 141 127.300 127.300 127.214 0.086 18978 3162 1 4 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.315 0.345 18978 3163 1 4 . 1 1 141 141 ILE C C 141 174.200 174.200 173.963 0.237 18978 3164 1 4 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.400 -0.890 18978 3165 1 4 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.921 -1.071 18978 3166 1 4 . 1 1 141 141 ILE H H 141 9.140 9.140 8.380 0.760 18978 3167 1 4 . 1 1 142 142 ARG N N 142 126.500 126.500 128.206 -1.706 18978 3168 1 4 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.576 0.304 18978 3169 1 4 . 1 1 142 142 ARG C C 142 175.100 175.100 175.653 -0.553 18978 3170 1 4 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.339 -0.799 18978 3171 1 4 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.282 -0.782 18978 3172 1 4 . 1 1 142 142 ARG H H 142 8.550 8.550 8.696 -0.146 18978 3173 1 5 . 1 1 -2 -2 GLY N N -2 110.000 110.000 109.621 0.379 18978 3174 1 5 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.981 0.169 18978 3175 1 5 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.294 0.096 18978 3176 1 5 . 1 1 -1 -1 VAL N N -1 119.730 119.730 124.378 -4.648 18978 3177 1 5 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.222 -0.182 18978 3178 1 5 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.807 0.073 18978 3179 1 5 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.910 0.200 18978 3180 1 5 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.364 0.396 18978 3181 1 5 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.203 -0.333 18978 3182 1 5 . 1 1 0 0 ILE N N 0 125.570 125.570 127.541 -1.971 18978 3183 1 5 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.521 -0.431 18978 3184 1 5 . 1 1 0 0 ILE C C 0 175.850 175.850 175.050 0.800 18978 3185 1 5 . 1 1 0 0 ILE CA C 0 60.800 60.800 61.050 -0.249 18978 3186 1 5 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.192 -0.722 18978 3187 1 5 . 1 1 0 0 ILE H H 0 8.230 8.230 8.445 -0.215 18978 3188 1 5 . 1 1 1 1 MET N N 1 125.930 125.930 124.863 1.067 18978 3189 1 5 . 1 1 1 1 MET HA H 1 4.540 4.540 4.859 -0.319 18978 3190 1 5 . 1 1 1 1 MET C C 1 174.830 174.830 174.634 0.196 18978 3191 1 5 . 1 1 1 1 MET CA C 1 54.790 54.790 54.652 0.138 18978 3192 1 5 . 1 1 1 1 MET CB C 1 32.640 32.640 35.382 -2.742 18978 3193 1 5 . 1 1 1 1 MET H H 1 8.370 8.370 8.306 0.064 18978 3194 1 5 . 1 1 2 2 SER N N 2 116.400 116.400 116.041 0.359 18978 3195 1 5 . 1 1 2 2 SER HA H 2 5.030 5.030 5.060 -0.030 18978 3196 1 5 . 1 1 2 2 SER C C 2 174.330 174.330 173.528 0.802 18978 3197 1 5 . 1 1 2 2 SER CA C 2 57.320 57.320 57.233 0.087 18978 3198 1 5 . 1 1 2 2 SER CB C 2 64.790 64.790 65.875 -1.085 18978 3199 1 5 . 1 1 2 2 SER H H 2 7.990 7.990 8.336 -0.346 18978 3200 1 5 . 1 1 3 3 GLU N N 3 123.670 123.670 124.636 -0.966 18978 3201 1 5 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.361 -0.111 18978 3202 1 5 . 1 1 3 3 GLU C C 3 172.980 172.980 173.767 -0.787 18978 3203 1 5 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.478 -0.088 18978 3204 1 5 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.365 -0.455 18978 3205 1 5 . 1 1 3 3 GLU H H 3 9.430 9.430 8.633 0.797 18978 3206 1 5 . 1 1 4 4 LEU N N 4 125.350 125.350 126.526 -1.176 18978 3207 1 5 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.930 -0.060 18978 3208 1 5 . 1 1 4 4 LEU C C 4 174.000 174.000 174.446 -0.446 18978 3209 1 5 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.677 -0.657 18978 3210 1 5 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.797 0.243 18978 3211 1 5 . 1 1 4 4 LEU H H 4 8.930 8.930 8.554 0.376 18978 3212 1 5 . 1 1 5 5 LYS N N 5 124.640 124.640 125.798 -1.158 18978 3213 1 5 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.958 0.402 18978 3214 1 5 . 1 1 5 5 LYS C C 5 175.660 175.660 175.267 0.393 18978 3215 1 5 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.321 -0.381 18978 3216 1 5 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.383 -0.103 18978 3217 1 5 . 1 1 5 5 LYS H H 5 8.840 8.840 8.418 0.422 18978 3218 1 5 . 1 1 6 6 LEU N N 6 123.460 123.460 124.748 -1.288 18978 3219 1 5 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.199 0.231 18978 3220 1 5 . 1 1 6 6 LEU C C 6 174.630 174.630 175.122 -0.492 18978 3221 1 5 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.511 -0.611 18978 3222 1 5 . 1 1 6 6 LEU CB C 6 46.910 46.910 46.400 0.510 18978 3223 1 5 . 1 1 6 6 LEU H H 6 8.820 8.820 8.429 0.391 18978 3224 1 5 . 1 1 7 7 LYS N N 7 122.230 122.230 120.939 1.291 18978 3225 1 5 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.075 0.415 18978 3226 1 5 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.995 -0.725 18978 3227 1 5 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.034 0.466 18978 3228 1 5 . 1 1 7 7 LYS H H 7 9.110 9.110 8.411 0.699 18978 3229 1 5 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.540 -0.440 18978 3230 1 5 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.435 0.005 18978 3231 1 5 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.741 -2.101 18978 3232 1 5 . 1 1 9 9 LEU N N 9 123.250 123.250 122.153 1.097 18978 3233 1 5 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.399 -0.079 18978 3234 1 5 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.641 1.039 18978 3235 1 5 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.300 -1.540 18978 3236 1 5 . 1 1 9 9 LEU H H 9 8.490 8.490 7.909 0.581 18978 3237 1 5 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.489 0.041 18978 3238 1 5 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.019 0.861 18978 3239 1 5 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.240 -0.820 18978 3240 1 5 . 1 1 11 11 LYS N N 11 119.160 119.160 121.798 -2.638 18978 3241 1 5 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.301 -0.191 18978 3242 1 5 . 1 1 11 11 LYS C C 11 175.680 175.680 175.802 -0.122 18978 3243 1 5 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.260 -0.050 18978 3244 1 5 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.333 -1.673 18978 3245 1 5 . 1 1 11 11 LYS H H 11 8.180 8.180 8.331 -0.151 18978 3246 1 5 . 1 1 12 12 VAL N N 12 121.820 121.820 123.086 -1.266 18978 3247 1 5 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.277 0.003 18978 3248 1 5 . 1 1 12 12 VAL C C 12 173.690 173.690 174.415 -0.725 18978 3249 1 5 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.075 -1.244 18978 3250 1 5 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.411 0.139 18978 3251 1 5 . 1 1 12 12 VAL H H 12 7.530 7.530 8.300 -0.770 18978 3252 1 5 . 1 1 13 13 GLU N N 13 125.610 125.610 126.661 -1.051 18978 3253 1 5 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.431 -0.101 18978 3254 1 5 . 1 1 13 13 GLU C C 13 175.390 175.390 175.789 -0.399 18978 3255 1 5 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.810 -0.590 18978 3256 1 5 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.257 -0.287 18978 3257 1 5 . 1 1 13 13 GLU H H 13 8.270 8.270 8.398 -0.128 18978 3258 1 5 . 1 1 14 14 LEU N N 14 125.880 125.880 127.812 -1.932 18978 3259 1 5 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.551 -0.031 18978 3260 1 5 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.304 -0.644 18978 3261 1 5 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.039 -0.289 18978 3262 1 5 . 1 1 14 14 LEU H H 14 8.480 8.480 8.363 0.117 18978 3263 1 5 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.630 0.130 18978 3264 1 5 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.880 -0.550 18978 3265 1 5 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.329 -0.269 18978 3266 1 5 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.268 0.122 18978 3267 1 5 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.047 -0.497 18978 3268 1 5 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.813 -0.043 18978 3269 1 5 . 1 1 17 17 ASP N N 17 115.820 115.820 115.199 0.621 18978 3270 1 5 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.605 0.015 18978 3271 1 5 . 1 1 17 17 ASP C C 17 177.100 177.100 177.009 0.091 18978 3272 1 5 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.983 -0.093 18978 3273 1 5 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.215 -0.095 18978 3274 1 5 . 1 1 17 17 ASP H H 17 8.560 8.560 8.658 -0.098 18978 3275 1 5 . 1 1 18 18 PHE N N 18 119.610 119.610 121.903 -2.293 18978 3276 1 5 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.130 0.050 18978 3277 1 5 . 1 1 18 18 PHE C C 18 176.740 176.740 176.598 0.142 18978 3278 1 5 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.969 -0.949 18978 3279 1 5 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.307 -0.077 18978 3280 1 5 . 1 1 18 18 PHE H H 18 7.940 7.940 7.727 0.213 18978 3281 1 5 . 1 1 19 19 VAL N N 19 116.370 116.370 118.289 -1.919 18978 3282 1 5 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.551 -0.201 18978 3283 1 5 . 1 1 19 19 VAL C C 19 176.400 176.400 177.523 -1.123 18978 3284 1 5 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.189 -0.679 18978 3285 1 5 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.333 -0.313 18978 3286 1 5 . 1 1 19 19 VAL H H 19 8.010 8.010 8.267 -0.257 18978 3287 1 5 . 1 1 20 20 ASP N N 20 119.190 119.190 119.769 -0.579 18978 3288 1 5 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.339 -0.029 18978 3289 1 5 . 1 1 20 20 ASP C C 20 178.360 178.360 178.832 -0.472 18978 3290 1 5 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.635 -0.525 18978 3291 1 5 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.180 0.270 18978 3292 1 5 . 1 1 20 20 ASP H H 20 7.420 7.420 7.519 -0.099 18978 3293 1 5 . 1 1 21 21 VAL N N 21 119.830 119.830 120.105 -0.275 18978 3294 1 5 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.508 0.002 18978 3295 1 5 . 1 1 21 21 VAL C C 21 178.100 178.100 177.753 0.347 18978 3296 1 5 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.235 -0.665 18978 3297 1 5 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.500 -0.090 18978 3298 1 5 . 1 1 21 21 VAL H H 21 7.190 7.190 7.273 -0.083 18978 3299 1 5 . 1 1 22 22 ILE N N 22 118.490 118.490 119.086 -0.596 18978 3300 1 5 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.427 -0.257 18978 3301 1 5 . 1 1 22 22 ILE C C 22 176.660 176.660 177.976 -1.316 18978 3302 1 5 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.559 1.661 18978 3303 1 5 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.157 1.343 18978 3304 1 5 . 1 1 22 22 ILE H H 22 7.660 7.660 7.433 0.227 18978 3305 1 5 . 1 1 23 23 ARG N N 23 118.260 118.260 120.294 -2.034 18978 3306 1 5 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.913 -0.533 18978 3307 1 5 . 1 1 23 23 ARG C C 23 178.060 178.060 178.867 -0.807 18978 3308 1 5 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.901 0.669 18978 3309 1 5 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.105 -0.035 18978 3310 1 5 . 1 1 23 23 ARG H H 23 7.830 7.830 7.598 0.232 18978 3311 1 5 . 1 1 24 24 ILE N N 24 116.750 116.750 119.133 -2.383 18978 3312 1 5 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.684 0.036 18978 3313 1 5 . 1 1 24 24 ILE C C 24 179.090 179.090 178.222 0.868 18978 3314 1 5 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.439 -0.379 18978 3315 1 5 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.772 0.258 18978 3316 1 5 . 1 1 24 24 ILE H H 24 7.350 7.350 7.669 -0.319 18978 3317 1 5 . 1 1 25 25 LYS N N 25 118.700 118.700 117.909 0.791 18978 3318 1 5 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.950 0.140 18978 3319 1 5 . 1 1 25 25 LYS C C 25 178.560 178.560 178.047 0.513 18978 3320 1 5 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.166 -1.516 18978 3321 1 5 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.822 -0.732 18978 3322 1 5 . 1 1 25 25 LYS H H 25 7.880 7.880 7.534 0.346 18978 3323 1 5 . 1 1 26 26 LEU N N 26 116.380 116.380 117.100 -0.720 18978 3324 1 5 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.126 0.104 18978 3325 1 5 . 1 1 26 26 LEU C C 26 175.880 175.880 177.377 -1.497 18978 3326 1 5 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.833 -1.743 18978 3327 1 5 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.788 0.522 18978 3328 1 5 . 1 1 26 26 LEU H H 26 7.860 7.860 7.656 0.204 18978 3329 1 5 . 1 1 27 27 GLN N N 27 119.210 119.210 117.113 2.097 18978 3330 1 5 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.830 -0.300 18978 3331 1 5 . 1 1 27 27 GLN C C 27 177.480 177.480 177.146 0.334 18978 3332 1 5 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.380 0.989 18978 3333 1 5 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.760 -0.460 18978 3334 1 5 . 1 1 27 27 GLN H H 27 7.190 7.190 7.614 -0.424 18978 3335 1 5 . 1 1 28 28 GLY N N 28 113.490 113.490 113.346 0.144 18978 3336 1 5 . 1 1 28 28 GLY C C 28 174.070 174.070 174.206 -0.136 18978 3337 1 5 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.068 0.212 18978 3338 1 5 . 1 1 28 28 GLY H H 28 8.940 8.940 8.851 0.089 18978 3339 1 5 . 1 1 29 29 LYS N N 29 122.060 122.060 122.473 -0.413 18978 3340 1 5 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.630 -0.230 18978 3341 1 5 . 1 1 29 29 LYS C C 29 175.560 175.560 175.653 -0.093 18978 3342 1 5 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.100 0.560 18978 3343 1 5 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.090 -1.220 18978 3344 1 5 . 1 1 29 29 LYS H H 29 8.350 8.350 7.812 0.538 18978 3345 1 5 . 1 1 30 30 THR N N 30 118.150 118.150 117.375 0.775 18978 3346 1 5 . 1 1 30 30 THR HA H 30 5.330 5.330 5.089 0.241 18978 3347 1 5 . 1 1 30 30 THR C C 30 174.860 174.860 174.060 0.800 18978 3348 1 5 . 1 1 30 30 THR CA C 30 62.040 62.040 61.399 0.641 18978 3349 1 5 . 1 1 30 30 THR CB C 30 69.420 69.420 70.128 -0.708 18978 3350 1 5 . 1 1 30 30 THR H H 30 8.410 8.410 8.306 0.104 18978 3351 1 5 . 1 1 31 31 VAL N N 31 122.510 122.510 119.409 3.101 18978 3352 1 5 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.593 -0.023 18978 3353 1 5 . 1 1 31 31 VAL C C 31 172.970 172.970 173.619 -0.649 18978 3354 1 5 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.456 -0.006 18978 3355 1 5 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.498 1.382 18978 3356 1 5 . 1 1 31 31 VAL H H 31 9.140 9.140 8.863 0.277 18978 3357 1 5 . 1 1 32 32 ARG N N 32 120.640 120.640 120.418 0.222 18978 3358 1 5 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.788 -0.038 18978 3359 1 5 . 1 1 32 32 ARG C C 32 175.650 175.650 175.426 0.224 18978 3360 1 5 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.480 -0.830 18978 3361 1 5 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.218 -0.348 18978 3362 1 5 . 1 1 32 32 ARG H H 32 8.420 8.420 8.778 -0.358 18978 3363 1 5 . 1 1 33 33 THR N N 33 118.590 118.590 117.165 1.425 18978 3364 1 5 . 1 1 33 33 THR HA H 33 3.410 3.410 3.893 -0.483 18978 3365 1 5 . 1 1 33 33 THR C C 33 175.020 175.020 175.955 -0.935 18978 3366 1 5 . 1 1 33 33 THR CA C 33 65.660 65.660 64.752 0.908 18978 3367 1 5 . 1 1 33 33 THR CB C 33 69.400 69.400 68.605 0.795 18978 3368 1 5 . 1 1 33 33 THR H H 33 8.370 8.370 8.505 -0.135 18978 3369 1 5 . 1 1 34 34 GLY N N 34 117.350 117.350 115.730 1.620 18978 3370 1 5 . 1 1 34 34 GLY C C 34 174.350 174.350 174.390 -0.040 18978 3371 1 5 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.880 0.120 18978 3372 1 5 . 1 1 34 34 GLY H H 34 9.090 9.090 8.483 0.607 18978 3373 1 5 . 1 1 35 35 ASP N N 35 122.240 122.240 123.417 -1.177 18978 3374 1 5 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.651 -0.181 18978 3375 1 5 . 1 1 35 35 ASP C C 35 174.570 174.570 175.158 -0.588 18978 3376 1 5 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.228 0.342 18978 3377 1 5 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.882 -0.202 18978 3378 1 5 . 1 1 35 35 ASP H H 35 8.010 8.010 7.772 0.238 18978 3379 1 5 . 1 1 36 36 VAL N N 36 119.860 119.860 121.111 -1.251 18978 3380 1 5 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.702 0.248 18978 3381 1 5 . 1 1 36 36 VAL C C 36 176.330 176.330 175.930 0.400 18978 3382 1 5 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.546 0.164 18978 3383 1 5 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.651 -0.751 18978 3384 1 5 . 1 1 36 36 VAL H H 36 8.330 8.330 8.391 -0.061 18978 3385 1 5 . 1 1 37 37 ILE N N 37 124.990 124.990 128.636 -3.646 18978 3386 1 5 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.532 0.098 18978 3387 1 5 . 1 1 37 37 ILE C C 37 174.400 174.400 174.994 -0.594 18978 3388 1 5 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.517 -1.527 18978 3389 1 5 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.271 0.539 18978 3390 1 5 . 1 1 37 37 ILE H H 37 9.160 9.160 8.672 0.488 18978 3391 1 5 . 1 1 38 38 GLY N N 38 112.060 112.060 112.910 -0.850 18978 3392 1 5 . 1 1 38 38 GLY C C 38 172.920 172.920 173.707 -0.787 18978 3393 1 5 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.381 0.199 18978 3394 1 5 . 1 1 38 38 GLY H H 38 8.660 8.660 8.467 0.193 18978 3395 1 5 . 1 1 39 39 ILE N N 39 123.220 123.220 124.485 -1.265 18978 3396 1 5 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.444 -0.074 18978 3397 1 5 . 1 1 39 39 ILE C C 39 174.500 174.500 175.241 -0.741 18978 3398 1 5 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.586 -1.036 18978 3399 1 5 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.730 -0.430 18978 3400 1 5 . 1 1 39 39 ILE H H 39 8.810 8.810 8.375 0.435 18978 3401 1 5 . 1 1 40 40 SER N N 40 121.430 121.430 121.669 -0.239 18978 3402 1 5 . 1 1 40 40 SER HA H 40 4.830 4.830 4.888 -0.058 18978 3403 1 5 . 1 1 40 40 SER C C 40 174.130 174.130 174.104 0.026 18978 3404 1 5 . 1 1 40 40 SER CA C 40 57.770 57.770 57.836 -0.066 18978 3405 1 5 . 1 1 40 40 SER CB C 40 63.040 63.040 63.661 -0.621 18978 3406 1 5 . 1 1 40 40 SER H H 40 8.540 8.540 8.730 -0.190 18978 3407 1 5 . 1 1 41 41 ILE N N 41 127.060 127.060 128.387 -1.327 18978 3408 1 5 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.451 -0.161 18978 3409 1 5 . 1 1 41 41 ILE C C 41 175.280 175.280 175.891 -0.611 18978 3410 1 5 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.509 0.741 18978 3411 1 5 . 1 1 41 41 ILE CB C 41 39.840 39.840 39.048 0.792 18978 3412 1 5 . 1 1 41 41 ILE H H 41 8.930 8.930 8.699 0.231 18978 3413 1 5 . 1 1 42 42 LEU N N 42 126.770 126.770 127.157 -0.387 18978 3414 1 5 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.962 -0.072 18978 3415 1 5 . 1 1 42 42 LEU C C 42 177.130 177.130 177.031 0.099 18978 3416 1 5 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.438 0.122 18978 3417 1 5 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.204 -0.834 18978 3418 1 5 . 1 1 42 42 LEU H H 42 9.380 9.380 9.170 0.210 18978 3419 1 5 . 1 1 43 43 GLY N N 43 103.820 103.820 105.005 -1.185 18978 3420 1 5 . 1 1 43 43 GLY C C 43 173.690 173.690 173.479 0.211 18978 3421 1 5 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.134 0.206 18978 3422 1 5 . 1 1 43 43 GLY H H 43 8.310 8.310 8.731 -0.421 18978 3423 1 5 . 1 1 44 44 LYS N N 44 121.160 121.160 120.315 0.845 18978 3424 1 5 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.571 -0.011 18978 3425 1 5 . 1 1 44 44 LYS C C 44 174.550 174.550 174.717 -0.167 18978 3426 1 5 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.337 -1.196 18978 3427 1 5 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.282 -0.662 18978 3428 1 5 . 1 1 44 44 LYS H H 44 7.730 7.730 7.704 0.026 18978 3429 1 5 . 1 1 45 45 GLU N N 45 124.090 124.090 128.089 -3.999 18978 3430 1 5 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.406 -0.126 18978 3431 1 5 . 1 1 45 45 GLU C C 45 175.730 175.730 175.282 0.448 18978 3432 1 5 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.479 0.251 18978 3433 1 5 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.449 -0.379 18978 3434 1 5 . 1 1 45 45 GLU H H 45 8.490 8.490 8.682 -0.192 18978 3435 1 5 . 1 1 46 46 VAL N N 46 129.960 129.960 127.895 2.065 18978 3436 1 5 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.339 -0.309 18978 3437 1 5 . 1 1 46 46 VAL C C 46 174.610 174.610 173.730 0.880 18978 3438 1 5 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.793 1.887 18978 3439 1 5 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.525 -0.645 18978 3440 1 5 . 1 1 46 46 VAL H H 46 8.920 8.920 8.506 0.414 18978 3441 1 5 . 1 1 47 47 LYS N N 47 124.790 124.790 128.413 -3.623 18978 3442 1 5 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.784 0.336 18978 3443 1 5 . 1 1 47 47 LYS C C 47 175.380 175.380 175.440 -0.060 18978 3444 1 5 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.424 -0.224 18978 3445 1 5 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.551 1.119 18978 3446 1 5 . 1 1 47 47 LYS H H 47 7.860 7.860 8.446 -0.586 18978 3447 1 5 . 1 1 48 48 PHE N N 48 118.270 118.270 124.112 -5.842 18978 3448 1 5 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.919 0.041 18978 3449 1 5 . 1 1 48 48 PHE C C 48 173.950 173.950 174.779 -0.829 18978 3450 1 5 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.046 -1.136 18978 3451 1 5 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.925 1.025 18978 3452 1 5 . 1 1 48 48 PHE H H 48 9.270 9.270 8.956 0.314 18978 3453 1 5 . 1 1 49 49 LYS N N 49 121.960 121.960 123.551 -1.591 18978 3454 1 5 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.851 0.059 18978 3455 1 5 . 1 1 49 49 LYS C C 49 176.230 176.230 175.615 0.615 18978 3456 1 5 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.747 -0.837 18978 3457 1 5 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.836 -0.666 18978 3458 1 5 . 1 1 49 49 LYS H H 49 9.170 9.170 8.548 0.622 18978 3459 1 5 . 1 1 50 50 VAL N N 50 127.140 127.140 127.271 -0.131 18978 3460 1 5 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.011 0.159 18978 3461 1 5 . 1 1 50 50 VAL C C 50 175.500 175.500 176.469 -0.969 18978 3462 1 5 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.434 -1.454 18978 3463 1 5 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.745 -1.256 18978 3464 1 5 . 1 1 50 50 VAL H H 50 9.400 9.400 8.206 1.194 18978 3465 1 5 . 1 1 51 51 VAL N N 51 132.840 132.840 129.961 2.879 18978 3466 1 5 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.851 -0.201 18978 3467 1 5 . 1 1 51 51 VAL C C 51 176.440 176.440 176.152 0.288 18978 3468 1 5 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.062 -0.132 18978 3469 1 5 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.327 -0.197 18978 3470 1 5 . 1 1 51 51 VAL H H 51 8.390 8.390 8.525 -0.135 18978 3471 1 5 . 1 1 52 52 GLN N N 52 114.500 114.500 115.401 -0.901 18978 3472 1 5 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.521 -0.251 18978 3473 1 5 . 1 1 52 52 GLN C C 52 172.290 172.290 173.272 -0.982 18978 3474 1 5 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.535 1.105 18978 3475 1 5 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.449 0.181 18978 3476 1 5 . 1 1 52 52 GLN H H 52 7.470 7.470 7.556 -0.086 18978 3477 1 5 . 1 1 53 53 ALA N N 53 131.410 131.410 127.232 4.178 18978 3478 1 5 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.825 0.005 18978 3479 1 5 . 1 1 53 53 ALA C C 53 174.270 174.270 175.531 -1.261 18978 3480 1 5 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.629 0.171 18978 3481 1 5 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.699 -1.599 18978 3482 1 5 . 1 1 53 53 ALA H H 53 8.200 8.200 8.301 -0.101 18978 3483 1 5 . 1 1 54 54 TYR N N 54 124.140 124.140 124.285 -0.145 18978 3484 1 5 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.965 -0.425 18978 3485 1 5 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.686 -1.416 18978 3486 1 5 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.028 -0.668 18978 3487 1 5 . 1 1 54 54 TYR H H 54 8.860 8.860 8.524 0.336 18978 3488 1 5 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.297 -0.177 18978 3489 1 5 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.273 1.177 18978 3490 1 5 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.139 1.031 18978 3491 1 5 . 1 1 56 56 SER N N 56 106.200 106.200 115.028 -8.828 18978 3492 1 5 . 1 1 56 56 SER HA H 56 4.720 4.720 4.786 -0.066 18978 3493 1 5 . 1 1 56 56 SER CA C 56 54.250 54.250 56.452 -2.202 18978 3494 1 5 . 1 1 56 56 SER CB C 56 64.530 64.530 64.275 0.255 18978 3495 1 5 . 1 1 56 56 SER H H 56 7.380 7.380 8.086 -0.706 18978 3496 1 5 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.413 0.467 18978 3497 1 5 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.945 0.045 18978 3498 1 5 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.599 2.621 18978 3499 1 5 . 1 1 58 58 LEU N N 58 120.480 120.480 121.255 -0.775 18978 3500 1 5 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.716 -0.286 18978 3501 1 5 . 1 1 58 58 LEU C C 58 174.570 174.570 174.994 -0.424 18978 3502 1 5 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.254 -0.354 18978 3503 1 5 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.212 -2.002 18978 3504 1 5 . 1 1 58 58 LEU H H 58 8.960 8.960 8.382 0.578 18978 3505 1 5 . 1 1 59 59 ARG N N 59 125.180 125.180 125.283 -0.103 18978 3506 1 5 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.543 0.387 18978 3507 1 5 . 1 1 59 59 ARG C C 59 175.460 175.460 175.078 0.382 18978 3508 1 5 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.036 -0.996 18978 3509 1 5 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.979 -1.429 18978 3510 1 5 . 1 1 59 59 ARG H H 59 8.130 8.130 8.528 -0.398 18978 3511 1 5 . 1 1 60 60 VAL N N 60 128.170 128.170 127.499 0.671 18978 3512 1 5 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.108 -0.698 18978 3513 1 5 . 1 1 60 60 VAL C C 60 175.460 175.460 175.002 0.458 18978 3514 1 5 . 1 1 60 60 VAL CA C 60 65.210 65.210 62.401 2.809 18978 3515 1 5 . 1 1 60 60 VAL CB C 60 29.840 29.840 32.218 -2.378 18978 3516 1 5 . 1 1 60 60 VAL H H 60 8.450 8.450 8.201 0.249 18978 3517 1 5 . 1 1 61 61 GLU N N 61 127.670 127.670 126.972 0.698 18978 3518 1 5 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.633 0.237 18978 3519 1 5 . 1 1 61 61 GLU C C 61 176.960 176.960 176.825 0.135 18978 3520 1 5 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.909 -0.579 18978 3521 1 5 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.456 -0.176 18978 3522 1 5 . 1 1 61 61 GLU H H 61 8.620 8.620 7.882 0.738 18978 3523 1 5 . 1 1 62 62 ASP N N 62 121.140 121.140 122.188 -1.048 18978 3524 1 5 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.268 -0.118 18978 3525 1 5 . 1 1 62 62 ASP C C 62 177.460 177.460 176.617 0.843 18978 3526 1 5 . 1 1 62 62 ASP CA C 62 57.620 57.620 56.914 0.706 18978 3527 1 5 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.286 0.074 18978 3528 1 5 . 1 1 62 62 ASP H H 62 8.700 8.700 8.777 -0.077 18978 3529 1 5 . 1 1 63 63 ARG N N 63 112.890 112.890 118.363 -5.473 18978 3530 1 5 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.215 0.065 18978 3531 1 5 . 1 1 63 63 ARG C C 63 176.510 176.510 176.915 -0.405 18978 3532 1 5 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.541 -1.091 18978 3533 1 5 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.468 -0.478 18978 3534 1 5 . 1 1 63 63 ARG H H 63 7.760 7.760 7.892 -0.132 18978 3535 1 5 . 1 1 64 64 THR N N 64 120.650 120.650 116.783 3.867 18978 3536 1 5 . 1 1 64 64 THR HA H 64 4.020 4.020 4.284 -0.264 18978 3537 1 5 . 1 1 64 64 THR C C 64 173.810 173.810 174.175 -0.365 18978 3538 1 5 . 1 1 64 64 THR CA C 64 64.060 64.060 63.831 0.229 18978 3539 1 5 . 1 1 64 64 THR CB C 64 69.350 69.350 69.374 -0.024 18978 3540 1 5 . 1 1 64 64 THR H H 64 7.700 7.700 7.601 0.099 18978 3541 1 5 . 1 1 65 65 LYS N N 65 130.950 130.950 128.200 2.750 18978 3542 1 5 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.490 -0.220 18978 3543 1 5 . 1 1 65 65 LYS C C 65 174.560 174.560 175.290 -0.730 18978 3544 1 5 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.029 0.251 18978 3545 1 5 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.938 -0.818 18978 3546 1 5 . 1 1 65 65 LYS H H 65 8.520 8.520 8.088 0.432 18978 3547 1 5 . 1 1 66 66 ILE N N 66 128.020 128.020 124.935 3.085 18978 3548 1 5 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.923 -0.073 18978 3549 1 5 . 1 1 66 66 ILE C C 66 174.650 174.650 176.164 -1.514 18978 3550 1 5 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.068 -0.248 18978 3551 1 5 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.146 -1.866 18978 3552 1 5 . 1 1 66 66 ILE H H 66 8.430 8.430 8.516 -0.086 18978 3553 1 5 . 1 1 67 67 THR N N 67 123.870 123.870 123.082 0.788 18978 3554 1 5 . 1 1 67 67 THR HA H 67 4.470 4.470 4.731 -0.261 18978 3555 1 5 . 1 1 67 67 THR C C 67 172.760 172.760 172.629 0.131 18978 3556 1 5 . 1 1 67 67 THR CA C 67 60.740 60.740 61.480 -0.740 18978 3557 1 5 . 1 1 67 67 THR CB C 67 71.320 71.320 70.712 0.608 18978 3558 1 5 . 1 1 67 67 THR H H 67 8.870 8.870 8.442 0.428 18978 3559 1 5 . 1 1 68 68 LEU N N 68 127.070 127.070 128.717 -1.647 18978 3560 1 5 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.097 0.043 18978 3561 1 5 . 1 1 68 68 LEU C C 68 176.610 176.610 176.138 0.472 18978 3562 1 5 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.904 -0.625 18978 3563 1 5 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.855 -1.255 18978 3564 1 5 . 1 1 68 68 LEU H H 68 8.820 8.820 8.654 0.166 18978 3565 1 5 . 1 1 69 69 VAL N N 69 124.120 124.120 127.799 -3.679 18978 3566 1 5 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.396 -0.136 18978 3567 1 5 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.781 -0.431 18978 3568 1 5 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.850 -0.060 18978 3569 1 5 . 1 1 69 69 VAL H H 69 8.800 8.800 8.425 0.375 18978 3570 1 5 . 1 1 70 70 THR N N 70 114.500 114.500 117.462 -2.962 18978 3571 1 5 . 1 1 70 70 THR HA H 70 4.410 4.410 4.469 -0.059 18978 3572 1 5 . 1 1 70 70 THR CA C 70 60.800 60.800 60.401 0.399 18978 3573 1 5 . 1 1 70 70 THR CB C 70 69.650 69.650 69.689 -0.039 18978 3574 1 5 . 1 1 70 70 THR H H 70 8.160 8.160 8.312 -0.152 18978 3575 1 5 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.639 -0.709 18978 3576 1 5 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.342 2.178 18978 3577 1 5 . 1 1 72 72 PRO CB C 72 34.140 34.140 33.269 0.871 18978 3578 1 5 . 1 1 73 73 VAL N N 73 117.500 117.500 117.241 0.259 18978 3579 1 5 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.197 0.323 18978 3580 1 5 . 1 1 73 73 VAL C C 73 174.100 174.100 175.896 -1.796 18978 3581 1 5 . 1 1 73 73 VAL CA C 73 60.010 60.010 61.384 -1.374 18978 3582 1 5 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.648 0.682 18978 3583 1 5 . 1 1 73 73 VAL H H 73 7.410 7.410 8.010 -0.600 18978 3584 1 5 . 1 1 74 74 ASP N N 74 124.500 124.500 120.343 4.157 18978 3585 1 5 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.707 0.203 18978 3586 1 5 . 1 1 74 74 ASP C C 74 174.000 174.000 175.326 -1.326 18978 3587 1 5 . 1 1 74 74 ASP CA C 74 53.450 53.450 54.046 -0.596 18978 3588 1 5 . 1 1 74 74 ASP CB C 74 43.350 43.350 40.830 2.520 18978 3589 1 5 . 1 1 74 74 ASP H H 74 8.290 8.290 8.352 -0.062 18978 3590 1 5 . 1 1 75 75 VAL N N 75 122.400 122.400 124.739 -2.339 18978 3591 1 5 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.384 0.306 18978 3592 1 5 . 1 1 75 75 VAL C C 75 174.600 174.600 175.017 -0.417 18978 3593 1 5 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.890 -0.690 18978 3594 1 5 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.388 -0.057 18978 3595 1 5 . 1 1 75 75 VAL H H 75 7.780 7.780 8.467 -0.687 18978 3596 1 5 . 1 1 76 76 LEU N N 76 130.300 130.300 128.940 1.360 18978 3597 1 5 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.655 0.065 18978 3598 1 5 . 1 1 76 76 LEU C C 76 174.400 174.400 176.008 -1.608 18978 3599 1 5 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.575 -0.945 18978 3600 1 5 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.693 0.267 18978 3601 1 5 . 1 1 76 76 LEU H H 76 9.200 9.200 8.388 0.812 18978 3602 1 5 . 1 1 77 77 GLU N N 77 118.600 118.600 121.188 -2.588 18978 3603 1 5 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.670 0.650 18978 3604 1 5 . 1 1 77 77 GLU C C 77 174.900 174.900 174.975 -0.075 18978 3605 1 5 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.771 -1.681 18978 3606 1 5 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.705 2.495 18978 3607 1 5 . 1 1 77 77 GLU H H 77 8.010 8.010 8.528 -0.518 18978 3608 1 5 . 1 1 78 78 ALA N N 78 124.500 124.500 124.812 -0.312 18978 3609 1 5 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.544 0.096 18978 3610 1 5 . 1 1 78 78 ALA C C 78 175.500 175.500 176.639 -1.139 18978 3611 1 5 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.523 -0.843 18978 3612 1 5 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.298 0.512 18978 3613 1 5 . 1 1 78 78 ALA H H 78 8.800 8.800 8.183 0.617 18978 3614 1 5 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.311 0.169 18978 3615 1 5 . 1 1 79 79 LYS C C 79 174.700 174.700 175.669 -0.969 18978 3616 1 5 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.426 -0.326 18978 3617 1 5 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.583 -1.643 18978 3618 1 5 . 1 1 80 80 ILE N N 80 127.300 127.300 123.827 3.473 18978 3619 1 5 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.237 -0.157 18978 3620 1 5 . 1 1 80 80 ILE C C 80 172.700 172.700 175.167 -2.467 18978 3621 1 5 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.255 -0.315 18978 3622 1 5 . 1 1 80 80 ILE CB C 80 40.930 40.930 39.063 1.867 18978 3623 1 5 . 1 1 80 80 ILE H H 80 7.380 7.380 8.455 -1.075 18978 3624 1 5 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.551 -0.271 18978 3625 1 5 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.864 0.256 18978 3626 1 5 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.998 -0.248 18978 3627 1 5 . 1 1 82 82 GLY N N 82 113.000 113.000 112.257 0.743 18978 3628 1 5 . 1 1 82 82 GLY C C 82 174.600 174.600 174.133 0.467 18978 3629 1 5 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.620 2.250 18978 3630 1 5 . 1 1 82 82 GLY H H 82 8.210 8.210 8.746 -0.536 18978 3631 1 5 . 1 1 83 83 ILE N N 83 121.200 121.200 119.185 2.015 18978 3632 1 5 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.869 -0.528 18978 3633 1 5 . 1 1 83 83 ILE C C 83 175.000 175.000 176.341 -1.341 18978 3634 1 5 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.186 2.524 18978 3635 1 5 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.836 -0.346 18978 3636 1 5 . 1 1 83 83 ILE H H 83 8.350 8.350 8.134 0.216 18978 3637 1 5 . 1 1 84 84 LYS N N 84 129.400 129.400 128.702 0.698 18978 3638 1 5 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.395 0.095 18978 3639 1 5 . 1 1 84 84 LYS C C 84 175.000 175.000 176.276 -1.276 18978 3640 1 5 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.916 -0.846 18978 3641 1 5 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.255 0.235 18978 3642 1 5 . 1 1 84 84 LYS H H 84 9.160 9.160 8.595 0.565 18978 3643 1 5 . 1 1 85 85 ASP N N 85 117.500 117.500 117.668 -0.168 18978 3644 1 5 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.910 -0.130 18978 3645 1 5 . 1 1 85 85 ASP C C 85 173.200 173.200 173.731 -0.531 18978 3646 1 5 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.908 -0.818 18978 3647 1 5 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.339 -0.849 18978 3648 1 5 . 1 1 85 85 ASP H H 85 7.990 7.990 7.881 0.109 18978 3649 1 5 . 1 1 86 86 VAL N N 86 119.400 119.400 121.510 -2.110 18978 3650 1 5 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.728 0.442 18978 3651 1 5 . 1 1 86 86 VAL C C 86 172.500 172.500 175.121 -2.621 18978 3652 1 5 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.891 -1.141 18978 3653 1 5 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.474 0.686 18978 3654 1 5 . 1 1 86 86 VAL H H 86 8.210 8.210 8.434 -0.224 18978 3655 1 5 . 1 1 87 87 ILE N N 87 127.100 127.100 127.033 0.067 18978 3656 1 5 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.431 -0.221 18978 3657 1 5 . 1 1 87 87 ILE C C 87 173.600 173.600 174.281 -0.681 18978 3658 1 5 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.234 0.236 18978 3659 1 5 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.577 0.913 18978 3660 1 5 . 1 1 87 87 ILE H H 87 9.190 9.190 8.818 0.372 18978 3661 1 5 . 1 1 88 88 LEU N N 88 125.700 125.700 128.782 -3.082 18978 3662 1 5 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.750 0.290 18978 3663 1 5 . 1 1 88 88 LEU C C 88 174.500 174.500 175.357 -0.857 18978 3664 1 5 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.217 -1.277 18978 3665 1 5 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.509 -0.999 18978 3666 1 5 . 1 1 88 88 LEU H H 88 7.840 7.840 8.459 -0.619 18978 3667 1 5 . 1 1 89 89 ASP N N 89 127.800 127.800 124.568 3.232 18978 3668 1 5 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.030 -0.260 18978 3669 1 5 . 1 1 89 89 ASP C C 89 174.100 174.100 176.547 -2.447 18978 3670 1 5 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.199 0.421 18978 3671 1 5 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.086 -0.016 18978 3672 1 5 . 1 1 89 89 ASP H H 89 8.280 8.280 8.691 -0.411 18978 3673 1 5 . 1 1 90 90 GLU N N 90 122.400 122.400 123.662 -1.262 18978 3674 1 5 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.040 -0.190 18978 3675 1 5 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.418 -0.588 18978 3676 1 5 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.778 -0.368 18978 3677 1 5 . 1 1 90 90 GLU H H 90 8.980 8.980 8.786 0.194 18978 3678 1 5 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.903 -0.623 18978 3679 1 5 . 1 1 91 91 ASN C C 91 173.600 173.600 173.481 0.119 18978 3680 1 5 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.912 1.248 18978 3681 1 5 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.509 0.391 18978 3682 1 5 . 1 1 92 92 LEU N N 92 117.400 117.400 119.513 -2.113 18978 3683 1 5 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.738 0.292 18978 3684 1 5 . 1 1 92 92 LEU C C 92 174.700 174.700 174.245 0.455 18978 3685 1 5 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.618 -0.918 18978 3686 1 5 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.195 0.055 18978 3687 1 5 . 1 1 92 92 LEU H H 92 7.110 7.110 7.818 -0.708 18978 3688 1 5 . 1 1 93 93 ILE N N 93 121.300 121.300 121.948 -0.648 18978 3689 1 5 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.566 -0.116 18978 3690 1 5 . 1 1 93 93 ILE C C 93 174.000 174.000 174.553 -0.553 18978 3691 1 5 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.784 0.186 18978 3692 1 5 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.322 0.308 18978 3693 1 5 . 1 1 93 93 ILE H H 93 8.450 8.450 8.579 -0.129 18978 3694 1 5 . 1 1 94 94 VAL N N 94 128.000 128.000 128.092 -0.092 18978 3695 1 5 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.923 -0.083 18978 3696 1 5 . 1 1 94 94 VAL C C 94 174.000 174.000 174.691 -0.691 18978 3697 1 5 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.879 0.221 18978 3698 1 5 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.194 -2.074 18978 3699 1 5 . 1 1 94 94 VAL H H 94 8.970 8.970 8.451 0.519 18978 3700 1 5 . 1 1 95 95 VAL N N 95 127.700 127.700 127.338 0.362 18978 3701 1 5 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.533 0.137 18978 3702 1 5 . 1 1 95 95 VAL C C 95 173.300 173.300 174.580 -1.280 18978 3703 1 5 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.377 -0.537 18978 3704 1 5 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.921 -0.681 18978 3705 1 5 . 1 1 95 95 VAL H H 95 9.420 9.420 8.592 0.828 18978 3706 1 5 . 1 1 96 96 ILE N N 96 126.000 126.000 127.208 -1.208 18978 3707 1 5 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.920 0.300 18978 3708 1 5 . 1 1 96 96 ILE C C 96 177.100 177.100 175.501 1.599 18978 3709 1 5 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.740 -0.170 18978 3710 1 5 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.149 0.601 18978 3711 1 5 . 1 1 96 96 ILE H H 96 8.460 8.460 8.819 -0.359 18978 3712 1 5 . 1 1 97 97 THR N N 97 118.100 118.100 118.155 -0.055 18978 3713 1 5 . 1 1 97 97 THR HA H 97 5.250 5.250 4.808 0.442 18978 3714 1 5 . 1 1 97 97 THR C C 97 176.300 176.300 175.569 0.731 18978 3715 1 5 . 1 1 97 97 THR CA C 97 59.650 59.650 59.922 -0.272 18978 3716 1 5 . 1 1 97 97 THR CB C 97 71.890 71.890 71.353 0.537 18978 3717 1 5 . 1 1 97 97 THR H H 97 9.050 9.050 8.523 0.527 18978 3718 1 5 . 1 1 98 98 GLU N N 98 120.100 120.100 123.157 -3.057 18978 3719 1 5 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.960 0.160 18978 3720 1 5 . 1 1 98 98 GLU C C 98 176.200 176.200 177.254 -1.054 18978 3721 1 5 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.508 -1.618 18978 3722 1 5 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.750 -0.220 18978 3723 1 5 . 1 1 98 98 GLU H H 98 9.220 9.220 8.255 0.965 18978 3724 1 5 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.333 -0.183 18978 3725 1 5 . 1 1 99 99 GLU C C 99 174.200 174.200 175.838 -1.638 18978 3726 1 5 . 1 1 99 99 GLU CA C 99 58.210 58.210 55.791 2.419 18978 3727 1 5 . 1 1 99 99 GLU CB C 99 29.870 29.870 29.137 0.733 18978 3728 1 5 . 1 1 100 100 ASN N N 100 113.200 113.200 114.309 -1.109 18978 3729 1 5 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.417 -0.307 18978 3730 1 5 . 1 1 100 100 ASN C C 100 173.700 173.700 173.582 0.118 18978 3731 1 5 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.715 -0.314 18978 3732 1 5 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.254 -0.394 18978 3733 1 5 . 1 1 100 100 ASN H H 100 8.020 8.020 8.095 -0.075 18978 3734 1 5 . 1 1 101 101 GLU N N 101 115.500 115.500 118.447 -2.947 18978 3735 1 5 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.806 0.344 18978 3736 1 5 . 1 1 101 101 GLU C C 101 174.900 174.900 174.528 0.372 18978 3737 1 5 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.046 0.004 18978 3738 1 5 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.336 -1.936 18978 3739 1 5 . 1 1 101 101 GLU H H 101 7.230 7.230 7.324 -0.094 18978 3740 1 5 . 1 1 102 102 VAL N N 102 122.700 122.700 124.840 -2.140 18978 3741 1 5 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.528 0.392 18978 3742 1 5 . 1 1 102 102 VAL C C 102 173.700 173.700 174.357 -0.657 18978 3743 1 5 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.319 -0.399 18978 3744 1 5 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.867 -0.057 18978 3745 1 5 . 1 1 102 102 VAL H H 102 8.710 8.710 8.862 -0.152 18978 3746 1 5 . 1 1 103 103 LEU N N 103 127.300 127.300 128.027 -0.727 18978 3747 1 5 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.772 -0.472 18978 3748 1 5 . 1 1 103 103 LEU C C 103 174.500 174.500 175.313 -0.813 18978 3749 1 5 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.601 0.219 18978 3750 1 5 . 1 1 103 103 LEU H H 103 9.140 9.140 8.403 0.737 18978 3751 1 5 . 1 1 104 104 ILE N N 104 122.200 122.200 121.768 0.432 18978 3752 1 5 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.605 0.135 18978 3753 1 5 . 1 1 104 104 ILE C C 104 173.600 173.600 174.479 -0.879 18978 3754 1 5 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.436 -0.216 18978 3755 1 5 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.516 -0.366 18978 3756 1 5 . 1 1 104 104 ILE H H 104 8.470 8.470 8.156 0.314 18978 3757 1 5 . 1 1 105 105 PHE N N 105 126.600 126.600 125.328 1.272 18978 3758 1 5 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.663 -0.093 18978 3759 1 5 . 1 1 105 105 PHE C C 105 175.800 175.800 175.230 0.570 18978 3760 1 5 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.809 -0.359 18978 3761 1 5 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.470 1.200 18978 3762 1 5 . 1 1 105 105 PHE H H 105 9.330 9.330 8.969 0.361 18978 3763 1 5 . 1 1 106 106 ASN N N 106 116.000 116.000 118.333 -2.333 18978 3764 1 5 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.067 0.403 18978 3765 1 5 . 1 1 106 106 ASN C C 106 176.700 176.700 177.081 -0.381 18978 3766 1 5 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.202 -0.702 18978 3767 1 5 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.522 -0.922 18978 3768 1 5 . 1 1 106 106 ASN H H 106 7.710 7.710 8.263 -0.553 18978 3769 1 5 . 1 1 107 107 GLN N N 107 114.500 114.500 119.969 -5.469 18978 3770 1 5 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.034 -0.144 18978 3771 1 5 . 1 1 107 107 GLN C C 107 173.700 173.700 176.125 -2.425 18978 3772 1 5 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.046 -1.536 18978 3773 1 5 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.429 -1.339 18978 3774 1 5 . 1 1 107 107 GLN H H 107 8.040 8.040 8.840 -0.800 18978 3775 1 5 . 1 1 108 108 ASN N N 108 115.800 115.800 115.623 0.177 18978 3776 1 5 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.587 0.083 18978 3777 1 5 . 1 1 108 108 ASN C C 108 173.600 173.600 174.994 -1.394 18978 3778 1 5 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.923 -0.833 18978 3779 1 5 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.088 0.772 18978 3780 1 5 . 1 1 108 108 ASN H H 108 7.440 7.440 8.196 -0.756 18978 3781 1 5 . 1 1 109 109 LEU N N 109 115.200 115.200 118.668 -3.468 18978 3782 1 5 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.841 -0.311 18978 3783 1 5 . 1 1 109 109 LEU C C 109 174.700 174.700 175.117 -0.417 18978 3784 1 5 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.138 -0.368 18978 3785 1 5 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.143 -1.443 18978 3786 1 5 . 1 1 109 109 LEU H H 109 8.220 8.220 7.628 0.592 18978 3787 1 5 . 1 1 110 110 GLU N N 110 117.600 117.600 118.772 -1.172 18978 3788 1 5 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.748 -0.328 18978 3789 1 5 . 1 1 110 110 GLU C C 110 175.800 175.800 175.694 0.106 18978 3790 1 5 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.773 0.407 18978 3791 1 5 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.870 -3.050 18978 3792 1 5 . 1 1 110 110 GLU H H 110 7.550 7.550 8.193 -0.643 18978 3793 1 5 . 1 1 111 111 GLU N N 111 125.900 125.900 122.543 3.357 18978 3794 1 5 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.277 -0.447 18978 3795 1 5 . 1 1 111 111 GLU C C 111 175.400 175.400 176.149 -0.749 18978 3796 1 5 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.000 -0.360 18978 3797 1 5 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.899 0.721 18978 3798 1 5 . 1 1 111 111 GLU H H 111 8.350 8.350 8.902 -0.552 18978 3799 1 5 . 1 1 112 112 LEU N N 112 128.000 128.000 128.423 -0.423 18978 3800 1 5 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.484 -0.214 18978 3801 1 5 . 1 1 112 112 LEU C C 112 176.100 176.100 176.465 -0.365 18978 3802 1 5 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.326 -0.296 18978 3803 1 5 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.082 -1.312 18978 3804 1 5 . 1 1 112 112 LEU H H 112 9.110 9.110 8.302 0.808 18978 3805 1 5 . 1 1 113 113 TYR N N 113 116.300 116.300 119.301 -3.001 18978 3806 1 5 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.651 -0.321 18978 3807 1 5 . 1 1 113 113 TYR C C 113 171.700 171.700 172.983 -1.283 18978 3808 1 5 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.470 0.490 18978 3809 1 5 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.235 -0.515 18978 3810 1 5 . 1 1 113 113 TYR H H 113 7.250 7.250 7.466 -0.216 18978 3811 1 5 . 1 1 114 114 ARG N N 114 126.200 126.200 126.734 -0.534 18978 3812 1 5 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.854 0.166 18978 3813 1 5 . 1 1 114 114 ARG C C 114 173.500 173.500 174.346 -0.846 18978 3814 1 5 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.768 -0.148 18978 3815 1 5 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.529 0.921 18978 3816 1 5 . 1 1 114 114 ARG H H 114 6.560 6.560 7.953 -1.393 18978 3817 1 5 . 1 1 115 115 GLY N N 115 111.300 111.300 112.691 -1.391 18978 3818 1 5 . 1 1 115 115 GLY C C 115 178.100 178.100 171.321 6.779 18978 3819 1 5 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.666 -0.256 18978 3820 1 5 . 1 1 115 115 GLY H H 115 8.320 8.320 8.303 0.017 18978 3821 1 5 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.598 0.172 18978 3822 1 5 . 1 1 116 116 LYS C C 116 174.400 174.400 174.657 -0.257 18978 3823 1 5 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.257 -0.067 18978 3824 1 5 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.117 -0.777 18978 3825 1 5 . 1 1 117 117 PHE N N 117 125.800 125.800 124.205 1.595 18978 3826 1 5 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.861 -0.311 18978 3827 1 5 . 1 1 117 117 PHE C C 117 174.000 174.000 176.390 -2.390 18978 3828 1 5 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.034 -0.184 18978 3829 1 5 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.910 0.250 18978 3830 1 5 . 1 1 117 117 PHE H H 117 8.090 8.090 8.593 -0.503 18978 3831 1 5 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.857 -0.197 18978 3832 1 5 . 1 1 119 119 ASN C C 119 173.500 173.500 174.183 -0.683 18978 3833 1 5 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.321 0.159 18978 3834 1 5 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.187 0.003 18978 3835 1 5 . 1 1 120 120 LEU N N 120 120.200 120.200 122.999 -2.799 18978 3836 1 5 . 1 1 120 120 LEU HA H 120 3.830 3.830 3.998 -0.168 18978 3837 1 5 . 1 1 120 120 LEU C C 120 175.000 175.000 175.651 -0.651 18978 3838 1 5 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.271 -0.001 18978 3839 1 5 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.811 0.959 18978 3840 1 5 . 1 1 120 120 LEU H H 120 6.900 6.900 7.693 -0.793 18978 3841 1 5 . 1 1 121 121 ASN N N 121 124.200 124.200 124.106 0.094 18978 3842 1 5 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.854 0.036 18978 3843 1 5 . 1 1 121 121 ASN C C 121 174.300 174.300 175.385 -1.085 18978 3844 1 5 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.032 -0.152 18978 3845 1 5 . 1 1 121 121 ASN CB C 121 40.440 40.440 41.080 -0.640 18978 3846 1 5 . 1 1 121 121 ASN H H 121 8.900 8.900 8.413 0.487 18978 3847 1 5 . 1 1 122 122 LYS N N 122 115.100 115.100 119.769 -4.669 18978 3848 1 5 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.592 -0.122 18978 3849 1 5 . 1 1 122 122 LYS C C 122 172.500 172.500 174.262 -1.762 18978 3850 1 5 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.395 0.305 18978 3851 1 5 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.173 -0.513 18978 3852 1 5 . 1 1 122 122 LYS H H 122 7.410 7.410 7.797 -0.387 18978 3853 1 5 . 1 1 123 123 VAL N N 123 121.500 121.500 122.294 -0.794 18978 3854 1 5 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.396 0.424 18978 3855 1 5 . 1 1 123 123 VAL C C 123 173.400 173.400 175.150 -1.750 18978 3856 1 5 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.258 -0.568 18978 3857 1 5 . 1 1 123 123 VAL CB C 123 34.150 34.150 32.914 1.236 18978 3858 1 5 . 1 1 123 123 VAL H H 123 7.730 7.730 8.441 -0.711 18978 3859 1 5 . 1 1 124 124 LEU N N 124 126.600 126.600 129.646 -3.046 18978 3860 1 5 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.841 -0.121 18978 3861 1 5 . 1 1 124 124 LEU C C 124 174.200 174.200 175.251 -1.051 18978 3862 1 5 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.078 -0.698 18978 3863 1 5 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.382 0.728 18978 3864 1 5 . 1 1 124 124 LEU H H 124 9.060 9.060 8.423 0.637 18978 3865 1 5 . 1 1 125 125 VAL N N 125 120.300 120.300 122.483 -2.183 18978 3866 1 5 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.443 0.227 18978 3867 1 5 . 1 1 125 125 VAL C C 125 174.700 174.700 175.200 -0.500 18978 3868 1 5 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.339 -1.049 18978 3869 1 5 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.583 0.667 18978 3870 1 5 . 1 1 125 125 VAL H H 125 8.030 8.030 8.507 -0.477 18978 3871 1 5 . 1 1 126 126 ARG N N 126 127.100 127.100 125.915 1.185 18978 3872 1 5 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.613 -0.143 18978 3873 1 5 . 1 1 126 126 ARG C C 126 174.400 174.400 175.079 -0.679 18978 3874 1 5 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.845 0.985 18978 3875 1 5 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.929 -2.629 18978 3876 1 5 . 1 1 126 126 ARG H H 126 8.630 8.630 8.384 0.246 18978 3877 1 5 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.384 -0.094 18978 3878 1 5 . 1 1 127 127 ASN C C 127 172.600 172.600 174.129 -1.529 18978 3879 1 5 . 1 1 127 127 ASN CA C 127 56.060 56.060 54.893 1.167 18978 3880 1 5 . 1 1 127 127 ASN CB C 127 36.950 36.950 38.274 -1.324 18978 3881 1 5 . 1 1 128 128 ASP N N 128 117.600 117.600 118.931 -1.331 18978 3882 1 5 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.519 -0.069 18978 3883 1 5 . 1 1 128 128 ASP C C 128 174.000 174.000 174.946 -0.946 18978 3884 1 5 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.598 -1.078 18978 3885 1 5 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.244 -0.434 18978 3886 1 5 . 1 1 128 128 ASP H H 128 8.560 8.560 8.485 0.075 18978 3887 1 5 . 1 1 129 129 LEU N N 129 121.500 121.500 121.258 0.242 18978 3888 1 5 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.732 0.338 18978 3889 1 5 . 1 1 129 129 LEU C C 129 174.800 174.800 174.226 0.574 18978 3890 1 5 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.492 -0.692 18978 3891 1 5 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.490 -0.370 18978 3892 1 5 . 1 1 129 129 LEU H H 129 7.730 7.730 7.501 0.229 18978 3893 1 5 . 1 1 130 130 VAL N N 130 120.600 120.600 125.591 -4.991 18978 3894 1 5 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.544 0.166 18978 3895 1 5 . 1 1 130 130 VAL C C 130 173.500 173.500 174.169 -0.669 18978 3896 1 5 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.711 -0.191 18978 3897 1 5 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.881 -1.131 18978 3898 1 5 . 1 1 130 130 VAL H H 130 8.410 8.410 8.138 0.272 18978 3899 1 5 . 1 1 131 131 VAL HA H 131 4.600 4.600 5.049 -0.449 18978 3900 1 5 . 1 1 131 131 VAL CA C 131 60.590 60.590 59.591 0.999 18978 3901 1 5 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.300 -1.440 18978 3902 1 5 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.359 -0.059 18978 3903 1 5 . 1 1 132 132 ILE C C 132 174.900 174.900 174.333 0.567 18978 3904 1 5 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.051 0.429 18978 3905 1 5 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.867 -0.818 18978 3906 1 5 . 1 1 133 133 ILE N N 133 126.200 126.200 126.637 -0.437 18978 3907 1 5 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.470 0.200 18978 3908 1 5 . 1 1 133 133 ILE C C 133 174.200 174.200 174.122 0.078 18978 3909 1 5 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.535 1.395 18978 3910 1 5 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.691 1.429 18978 3911 1 5 . 1 1 133 133 ILE H H 133 8.490 8.490 8.540 -0.050 18978 3912 1 5 . 1 1 134 134 ASP N N 134 130.100 130.100 125.497 4.603 18978 3913 1 5 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.191 -0.241 18978 3914 1 5 . 1 1 134 134 ASP C C 134 174.600 174.600 176.638 -2.038 18978 3915 1 5 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.052 0.338 18978 3916 1 5 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.800 -0.430 18978 3917 1 5 . 1 1 134 134 ASP H H 134 8.360 8.360 8.148 0.212 18978 3918 1 5 . 1 1 135 135 GLU N N 135 118.000 118.000 121.136 -3.136 18978 3919 1 5 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.918 0.292 18978 3920 1 5 . 1 1 135 135 GLU C C 135 176.200 176.200 177.148 -0.948 18978 3921 1 5 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.135 -0.385 18978 3922 1 5 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.826 0.464 18978 3923 1 5 . 1 1 135 135 GLU H H 135 7.840 7.840 8.508 -0.668 18978 3924 1 5 . 1 1 136 136 GLN N N 136 115.200 115.200 114.771 0.429 18978 3925 1 5 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.341 0.529 18978 3926 1 5 . 1 1 136 136 GLN C C 136 174.900 174.900 175.376 -0.476 18978 3927 1 5 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.305 -0.805 18978 3928 1 5 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.346 0.584 18978 3929 1 5 . 1 1 136 136 GLN H H 136 8.860 8.860 7.875 0.985 18978 3930 1 5 . 1 1 137 137 LYS N N 137 118.100 118.100 117.998 0.102 18978 3931 1 5 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.502 0.408 18978 3932 1 5 . 1 1 137 137 LYS C C 137 172.400 172.400 174.038 -1.638 18978 3933 1 5 . 1 1 137 137 LYS CA C 137 55.900 55.900 54.971 0.929 18978 3934 1 5 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.660 -0.120 18978 3935 1 5 . 1 1 137 137 LYS H H 137 8.260 8.260 7.957 0.303 18978 3936 1 5 . 1 1 138 138 LEU N N 138 123.500 123.500 125.087 -1.587 18978 3937 1 5 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.712 0.148 18978 3938 1 5 . 1 1 138 138 LEU C C 138 174.400 174.400 176.319 -1.919 18978 3939 1 5 . 1 1 138 138 LEU CA C 138 53.510 53.510 54.158 -0.648 18978 3940 1 5 . 1 1 138 138 LEU CB C 138 44.960 44.960 43.732 1.228 18978 3941 1 5 . 1 1 138 138 LEU H H 138 8.410 8.410 8.608 -0.198 18978 3942 1 5 . 1 1 139 139 THR N N 139 123.600 123.600 124.050 -0.450 18978 3943 1 5 . 1 1 139 139 THR HA H 139 4.830 4.830 4.653 0.177 18978 3944 1 5 . 1 1 139 139 THR C C 139 171.400 171.400 172.673 -1.273 18978 3945 1 5 . 1 1 139 139 THR CA C 139 62.240 62.240 61.652 0.588 18978 3946 1 5 . 1 1 139 139 THR CB C 139 70.120 70.120 70.118 0.002 18978 3947 1 5 . 1 1 139 139 THR H H 139 8.820 8.820 8.254 0.566 18978 3948 1 5 . 1 1 140 140 LEU N N 140 130.500 130.500 129.231 1.269 18978 3949 1 5 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.620 0.410 18978 3950 1 5 . 1 1 140 140 LEU C C 140 173.700 173.700 175.143 -1.443 18978 3951 1 5 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.093 -0.713 18978 3952 1 5 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.936 0.954 18978 3953 1 5 . 1 1 140 140 LEU H H 140 9.250 9.250 8.632 0.618 18978 3954 1 5 . 1 1 141 141 ILE N N 141 127.300 127.300 127.088 0.212 18978 3955 1 5 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.350 0.310 18978 3956 1 5 . 1 1 141 141 ILE C C 141 174.200 174.200 174.294 -0.094 18978 3957 1 5 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.498 -0.989 18978 3958 1 5 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.162 -1.312 18978 3959 1 5 . 1 1 141 141 ILE H H 141 9.140 9.140 8.635 0.505 18978 3960 1 5 . 1 1 142 142 ARG N N 142 126.500 126.500 126.661 -0.161 18978 3961 1 5 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.618 0.262 18978 3962 1 5 . 1 1 142 142 ARG C C 142 175.100 175.100 176.005 -0.905 18978 3963 1 5 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.192 -0.652 18978 3964 1 5 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.078 -0.578 18978 3965 1 5 . 1 1 142 142 ARG H H 142 8.550 8.550 8.715 -0.165 18978 3966 1 6 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.563 -0.563 18978 3967 1 6 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.800 0.350 18978 3968 1 6 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.118 0.272 18978 3969 1 6 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.943 -3.213 18978 3970 1 6 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.218 -0.178 18978 3971 1 6 . 1 1 -1 -1 VAL C C -1 175.880 175.880 176.002 -0.122 18978 3972 1 6 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.956 0.154 18978 3973 1 6 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.999 -0.239 18978 3974 1 6 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.332 -0.462 18978 3975 1 6 . 1 1 0 0 ILE N N 0 125.570 125.570 125.406 0.164 18978 3976 1 6 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.401 -0.311 18978 3977 1 6 . 1 1 0 0 ILE C C 0 175.850 175.850 175.761 0.089 18978 3978 1 6 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.787 0.013 18978 3979 1 6 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.521 -0.051 18978 3980 1 6 . 1 1 0 0 ILE H H 0 8.230 8.230 8.300 -0.070 18978 3981 1 6 . 1 1 1 1 MET N N 1 125.930 125.930 126.025 -0.095 18978 3982 1 6 . 1 1 1 1 MET HA H 1 4.540 4.540 4.726 -0.186 18978 3983 1 6 . 1 1 1 1 MET C C 1 174.830 174.830 175.131 -0.301 18978 3984 1 6 . 1 1 1 1 MET CA C 1 54.790 54.790 55.384 -0.594 18978 3985 1 6 . 1 1 1 1 MET CB C 1 32.640 32.640 33.385 -0.745 18978 3986 1 6 . 1 1 1 1 MET H H 1 8.370 8.370 8.498 -0.128 18978 3987 1 6 . 1 1 2 2 SER N N 2 116.400 116.400 115.929 0.471 18978 3988 1 6 . 1 1 2 2 SER HA H 2 5.030 5.030 5.015 0.015 18978 3989 1 6 . 1 1 2 2 SER C C 2 174.330 174.330 173.490 0.840 18978 3990 1 6 . 1 1 2 2 SER CA C 2 57.320 57.320 57.069 0.251 18978 3991 1 6 . 1 1 2 2 SER CB C 2 64.790 64.790 66.005 -1.215 18978 3992 1 6 . 1 1 2 2 SER H H 2 7.990 7.990 8.291 -0.301 18978 3993 1 6 . 1 1 3 3 GLU N N 3 123.670 123.670 124.083 -0.413 18978 3994 1 6 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.437 -0.187 18978 3995 1 6 . 1 1 3 3 GLU C C 3 172.980 172.980 173.740 -0.760 18978 3996 1 6 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.415 -0.025 18978 3997 1 6 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.506 -0.596 18978 3998 1 6 . 1 1 3 3 GLU H H 3 9.430 9.430 8.635 0.795 18978 3999 1 6 . 1 1 4 4 LEU N N 4 125.350 125.350 126.736 -1.386 18978 4000 1 6 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.914 -0.044 18978 4001 1 6 . 1 1 4 4 LEU C C 4 174.000 174.000 174.523 -0.523 18978 4002 1 6 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.850 -0.830 18978 4003 1 6 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.802 0.238 18978 4004 1 6 . 1 1 4 4 LEU H H 4 8.930 8.930 8.631 0.299 18978 4005 1 6 . 1 1 5 5 LYS N N 5 124.640 124.640 126.877 -2.237 18978 4006 1 6 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.891 0.469 18978 4007 1 6 . 1 1 5 5 LYS C C 5 175.660 175.660 175.374 0.286 18978 4008 1 6 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.366 -0.426 18978 4009 1 6 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.657 0.623 18978 4010 1 6 . 1 1 5 5 LYS H H 5 8.840 8.840 8.429 0.411 18978 4011 1 6 . 1 1 6 6 LEU N N 6 123.460 123.460 125.057 -1.597 18978 4012 1 6 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.159 0.271 18978 4013 1 6 . 1 1 6 6 LEU C C 6 174.630 174.630 175.206 -0.576 18978 4014 1 6 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.431 -0.530 18978 4015 1 6 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.466 1.444 18978 4016 1 6 . 1 1 6 6 LEU H H 6 8.820 8.820 8.367 0.453 18978 4017 1 6 . 1 1 7 7 LYS N N 7 122.230 122.230 121.775 0.455 18978 4018 1 6 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.049 0.441 18978 4019 1 6 . 1 1 7 7 LYS CA C 7 52.270 52.270 53.090 -0.820 18978 4020 1 6 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.006 0.494 18978 4021 1 6 . 1 1 7 7 LYS H H 7 9.110 9.110 8.519 0.591 18978 4022 1 6 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.659 -0.559 18978 4023 1 6 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.367 0.073 18978 4024 1 6 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.791 -2.151 18978 4025 1 6 . 1 1 9 9 LEU N N 9 123.250 123.250 121.329 1.921 18978 4026 1 6 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.431 -0.111 18978 4027 1 6 . 1 1 9 9 LEU CA C 9 57.680 57.680 57.183 0.497 18978 4028 1 6 . 1 1 9 9 LEU CB C 9 38.760 38.760 39.970 -1.210 18978 4029 1 6 . 1 1 9 9 LEU H H 9 8.490 8.490 7.988 0.502 18978 4030 1 6 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.420 0.110 18978 4031 1 6 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.119 0.761 18978 4032 1 6 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.013 -0.593 18978 4033 1 6 . 1 1 11 11 LYS N N 11 119.160 119.160 122.187 -3.027 18978 4034 1 6 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.327 -0.217 18978 4035 1 6 . 1 1 11 11 LYS C C 11 175.680 175.680 176.036 -0.356 18978 4036 1 6 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.157 0.053 18978 4037 1 6 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.970 -1.310 18978 4038 1 6 . 1 1 11 11 LYS H H 11 8.180 8.180 8.377 -0.197 18978 4039 1 6 . 1 1 12 12 VAL N N 12 121.820 121.820 122.110 -0.290 18978 4040 1 6 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.310 -0.030 18978 4041 1 6 . 1 1 12 12 VAL C C 12 173.690 173.690 174.661 -0.971 18978 4042 1 6 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.856 -1.026 18978 4043 1 6 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.764 -0.214 18978 4044 1 6 . 1 1 12 12 VAL H H 12 7.530 7.530 8.142 -0.612 18978 4045 1 6 . 1 1 13 13 GLU N N 13 125.610 125.610 125.506 0.104 18978 4046 1 6 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.383 -0.053 18978 4047 1 6 . 1 1 13 13 GLU C C 13 175.390 175.390 175.440 -0.050 18978 4048 1 6 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.878 -0.658 18978 4049 1 6 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.071 -0.101 18978 4050 1 6 . 1 1 13 13 GLU H H 13 8.270 8.270 8.494 -0.224 18978 4051 1 6 . 1 1 14 14 LEU N N 14 125.880 125.880 128.180 -2.300 18978 4052 1 6 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.573 -0.053 18978 4053 1 6 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.024 -0.364 18978 4054 1 6 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.840 -0.090 18978 4055 1 6 . 1 1 14 14 LEU H H 14 8.480 8.480 8.260 0.220 18978 4056 1 6 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.606 0.154 18978 4057 1 6 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.991 -0.661 18978 4058 1 6 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.369 -0.309 18978 4059 1 6 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.238 0.152 18978 4060 1 6 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.119 -0.569 18978 4061 1 6 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.830 -0.060 18978 4062 1 6 . 1 1 17 17 ASP N N 17 115.820 115.820 116.423 -0.603 18978 4063 1 6 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.620 0.000 18978 4064 1 6 . 1 1 17 17 ASP C C 17 177.100 177.100 177.281 -0.181 18978 4065 1 6 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.997 -0.107 18978 4066 1 6 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.003 0.117 18978 4067 1 6 . 1 1 17 17 ASP H H 17 8.560 8.560 8.729 -0.169 18978 4068 1 6 . 1 1 18 18 PHE N N 18 119.610 119.610 122.182 -2.572 18978 4069 1 6 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.127 0.053 18978 4070 1 6 . 1 1 18 18 PHE C C 18 176.740 176.740 176.608 0.132 18978 4071 1 6 . 1 1 18 18 PHE CA C 18 61.020 61.020 62.097 -1.077 18978 4072 1 6 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.460 -0.230 18978 4073 1 6 . 1 1 18 18 PHE H H 18 7.940 7.940 7.775 0.165 18978 4074 1 6 . 1 1 19 19 VAL N N 19 116.370 116.370 117.463 -1.093 18978 4075 1 6 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.521 -0.171 18978 4076 1 6 . 1 1 19 19 VAL C C 19 176.400 176.400 177.567 -1.167 18978 4077 1 6 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.536 -0.026 18978 4078 1 6 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.418 -0.398 18978 4079 1 6 . 1 1 19 19 VAL H H 19 8.010 8.010 8.156 -0.146 18978 4080 1 6 . 1 1 20 20 ASP N N 20 119.190 119.190 119.237 -0.047 18978 4081 1 6 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.331 -0.021 18978 4082 1 6 . 1 1 20 20 ASP C C 20 178.360 178.360 178.221 0.139 18978 4083 1 6 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.460 -0.350 18978 4084 1 6 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.794 -0.344 18978 4085 1 6 . 1 1 20 20 ASP H H 20 7.420 7.420 8.131 -0.711 18978 4086 1 6 . 1 1 21 21 VAL N N 21 119.830 119.830 120.031 -0.201 18978 4087 1 6 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.591 -0.081 18978 4088 1 6 . 1 1 21 21 VAL C C 21 178.100 178.100 177.843 0.257 18978 4089 1 6 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.386 -0.816 18978 4090 1 6 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.321 0.089 18978 4091 1 6 . 1 1 21 21 VAL H H 21 7.190 7.190 7.418 -0.228 18978 4092 1 6 . 1 1 22 22 ILE N N 22 118.490 118.490 119.091 -0.601 18978 4093 1 6 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.433 -0.263 18978 4094 1 6 . 1 1 22 22 ILE C C 22 176.660 176.660 178.091 -1.431 18978 4095 1 6 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.699 1.521 18978 4096 1 6 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.188 1.312 18978 4097 1 6 . 1 1 22 22 ILE H H 22 7.660 7.660 7.495 0.165 18978 4098 1 6 . 1 1 23 23 ARG N N 23 118.260 118.260 120.512 -2.252 18978 4099 1 6 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.919 -0.539 18978 4100 1 6 . 1 1 23 23 ARG C C 23 178.060 178.060 178.823 -0.763 18978 4101 1 6 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.013 0.557 18978 4102 1 6 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.109 -0.039 18978 4103 1 6 . 1 1 23 23 ARG H H 23 7.830 7.830 7.731 0.099 18978 4104 1 6 . 1 1 24 24 ILE N N 24 116.750 116.750 119.437 -2.687 18978 4105 1 6 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.703 0.017 18978 4106 1 6 . 1 1 24 24 ILE C C 24 179.090 179.090 178.204 0.886 18978 4107 1 6 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.490 -0.430 18978 4108 1 6 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.735 0.295 18978 4109 1 6 . 1 1 24 24 ILE H H 24 7.350 7.350 7.628 -0.278 18978 4110 1 6 . 1 1 25 25 LYS N N 25 118.700 118.700 118.242 0.458 18978 4111 1 6 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.036 0.054 18978 4112 1 6 . 1 1 25 25 LYS C C 25 178.560 178.560 178.677 -0.117 18978 4113 1 6 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.244 -0.594 18978 4114 1 6 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.468 -0.378 18978 4115 1 6 . 1 1 25 25 LYS H H 25 7.880 7.880 7.695 0.185 18978 4116 1 6 . 1 1 26 26 LEU N N 26 116.380 116.380 118.123 -1.743 18978 4117 1 6 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.184 0.046 18978 4118 1 6 . 1 1 26 26 LEU C C 26 175.880 175.880 177.015 -1.135 18978 4119 1 6 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.977 -1.887 18978 4120 1 6 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.736 0.574 18978 4121 1 6 . 1 1 26 26 LEU H H 26 7.860 7.860 7.864 -0.004 18978 4122 1 6 . 1 1 27 27 GLN N N 27 119.210 119.210 117.136 2.074 18978 4123 1 6 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.844 -0.314 18978 4124 1 6 . 1 1 27 27 GLN C C 27 177.480 177.480 177.145 0.335 18978 4125 1 6 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.363 1.007 18978 4126 1 6 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.700 -0.400 18978 4127 1 6 . 1 1 27 27 GLN H H 27 7.190 7.190 7.577 -0.387 18978 4128 1 6 . 1 1 28 28 GLY N N 28 113.490 113.490 113.642 -0.152 18978 4129 1 6 . 1 1 28 28 GLY C C 28 174.070 174.070 174.401 -0.331 18978 4130 1 6 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.012 0.268 18978 4131 1 6 . 1 1 28 28 GLY H H 28 8.940 8.940 8.768 0.172 18978 4132 1 6 . 1 1 29 29 LYS N N 29 122.060 122.060 122.745 -0.685 18978 4133 1 6 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.651 -0.251 18978 4134 1 6 . 1 1 29 29 LYS C C 29 175.560 175.560 175.406 0.154 18978 4135 1 6 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.267 0.392 18978 4136 1 6 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.074 -1.204 18978 4137 1 6 . 1 1 29 29 LYS H H 29 8.350 8.350 7.820 0.530 18978 4138 1 6 . 1 1 30 30 THR N N 30 118.150 118.150 116.769 1.381 18978 4139 1 6 . 1 1 30 30 THR HA H 30 5.330 5.330 5.045 0.285 18978 4140 1 6 . 1 1 30 30 THR C C 30 174.860 174.860 174.489 0.371 18978 4141 1 6 . 1 1 30 30 THR CA C 30 62.040 62.040 61.712 0.328 18978 4142 1 6 . 1 1 30 30 THR CB C 30 69.420 69.420 69.952 -0.532 18978 4143 1 6 . 1 1 30 30 THR H H 30 8.410 8.410 8.283 0.127 18978 4144 1 6 . 1 1 31 31 VAL N N 31 122.510 122.510 121.303 1.207 18978 4145 1 6 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.621 -0.051 18978 4146 1 6 . 1 1 31 31 VAL C C 31 172.970 172.970 173.910 -0.940 18978 4147 1 6 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.388 -0.938 18978 4148 1 6 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.267 0.613 18978 4149 1 6 . 1 1 31 31 VAL H H 31 9.140 9.140 8.874 0.266 18978 4150 1 6 . 1 1 32 32 ARG N N 32 120.640 120.640 122.681 -2.041 18978 4151 1 6 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.782 -0.032 18978 4152 1 6 . 1 1 32 32 ARG C C 32 175.650 175.650 175.610 0.040 18978 4153 1 6 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.335 -0.685 18978 4154 1 6 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.512 -0.642 18978 4155 1 6 . 1 1 32 32 ARG H H 32 8.420 8.420 8.970 -0.550 18978 4156 1 6 . 1 1 33 33 THR N N 33 118.590 118.590 117.399 1.191 18978 4157 1 6 . 1 1 33 33 THR HA H 33 3.410 3.410 3.831 -0.421 18978 4158 1 6 . 1 1 33 33 THR C C 33 175.020 175.020 176.144 -1.124 18978 4159 1 6 . 1 1 33 33 THR CA C 33 65.660 65.660 64.871 0.789 18978 4160 1 6 . 1 1 33 33 THR CB C 33 69.400 69.400 68.518 0.882 18978 4161 1 6 . 1 1 33 33 THR H H 33 8.370 8.370 8.537 -0.167 18978 4162 1 6 . 1 1 34 34 GLY N N 34 117.350 117.350 116.212 1.138 18978 4163 1 6 . 1 1 34 34 GLY C C 34 174.350 174.350 174.428 -0.078 18978 4164 1 6 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.717 0.283 18978 4165 1 6 . 1 1 34 34 GLY H H 34 9.090 9.090 8.656 0.434 18978 4166 1 6 . 1 1 35 35 ASP N N 35 122.240 122.240 123.249 -1.009 18978 4167 1 6 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.714 -0.244 18978 4168 1 6 . 1 1 35 35 ASP C C 35 174.570 174.570 175.341 -0.771 18978 4169 1 6 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.557 0.013 18978 4170 1 6 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.871 -0.191 18978 4171 1 6 . 1 1 35 35 ASP H H 35 8.010 8.010 7.838 0.172 18978 4172 1 6 . 1 1 36 36 VAL N N 36 119.860 119.860 120.458 -0.598 18978 4173 1 6 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.801 0.149 18978 4174 1 6 . 1 1 36 36 VAL C C 36 176.330 176.330 175.732 0.598 18978 4175 1 6 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.088 0.622 18978 4176 1 6 . 1 1 36 36 VAL CB C 36 32.900 32.900 34.161 -1.261 18978 4177 1 6 . 1 1 36 36 VAL H H 36 8.330 8.330 8.241 0.089 18978 4178 1 6 . 1 1 37 37 ILE N N 37 124.990 124.990 127.440 -2.450 18978 4179 1 6 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.536 0.094 18978 4180 1 6 . 1 1 37 37 ILE C C 37 174.400 174.400 174.895 -0.495 18978 4181 1 6 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.396 -1.406 18978 4182 1 6 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.602 0.208 18978 4183 1 6 . 1 1 37 37 ILE H H 37 9.160 9.160 8.674 0.486 18978 4184 1 6 . 1 1 38 38 GLY N N 38 112.060 112.060 112.505 -0.445 18978 4185 1 6 . 1 1 38 38 GLY C C 38 172.920 172.920 173.710 -0.790 18978 4186 1 6 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.330 0.250 18978 4187 1 6 . 1 1 38 38 GLY H H 38 8.660 8.660 8.460 0.200 18978 4188 1 6 . 1 1 39 39 ILE N N 39 123.220 123.220 124.838 -1.618 18978 4189 1 6 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.437 -0.067 18978 4190 1 6 . 1 1 39 39 ILE C C 39 174.500 174.500 175.229 -0.729 18978 4191 1 6 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.602 -1.052 18978 4192 1 6 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.421 -0.121 18978 4193 1 6 . 1 1 39 39 ILE H H 39 8.810 8.810 8.427 0.383 18978 4194 1 6 . 1 1 40 40 SER N N 40 121.430 121.430 121.933 -0.503 18978 4195 1 6 . 1 1 40 40 SER HA H 40 4.830 4.830 4.956 -0.126 18978 4196 1 6 . 1 1 40 40 SER C C 40 174.130 174.130 174.167 -0.037 18978 4197 1 6 . 1 1 40 40 SER CA C 40 57.770 57.770 57.658 0.112 18978 4198 1 6 . 1 1 40 40 SER CB C 40 63.040 63.040 63.872 -0.832 18978 4199 1 6 . 1 1 40 40 SER H H 40 8.540 8.540 8.703 -0.163 18978 4200 1 6 . 1 1 41 41 ILE N N 41 127.060 127.060 128.479 -1.419 18978 4201 1 6 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.401 -0.111 18978 4202 1 6 . 1 1 41 41 ILE C C 41 175.280 175.280 175.692 -0.412 18978 4203 1 6 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.981 -0.731 18978 4204 1 6 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.435 -0.595 18978 4205 1 6 . 1 1 41 41 ILE H H 41 8.930 8.930 8.598 0.332 18978 4206 1 6 . 1 1 42 42 LEU N N 42 126.770 126.770 129.618 -2.848 18978 4207 1 6 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.986 -0.096 18978 4208 1 6 . 1 1 42 42 LEU C C 42 177.130 177.130 177.079 0.051 18978 4209 1 6 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.596 -0.036 18978 4210 1 6 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.380 -2.010 18978 4211 1 6 . 1 1 42 42 LEU H H 42 9.380 9.380 9.018 0.362 18978 4212 1 6 . 1 1 43 43 GLY N N 43 103.820 103.820 104.692 -0.872 18978 4213 1 6 . 1 1 43 43 GLY C C 43 173.690 173.690 173.734 -0.044 18978 4214 1 6 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.182 0.158 18978 4215 1 6 . 1 1 43 43 GLY H H 43 8.310 8.310 8.774 -0.464 18978 4216 1 6 . 1 1 44 44 LYS N N 44 121.160 121.160 120.209 0.951 18978 4217 1 6 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.539 0.021 18978 4218 1 6 . 1 1 44 44 LYS C C 44 174.550 174.550 175.007 -0.457 18978 4219 1 6 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.236 -1.096 18978 4220 1 6 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.061 -0.441 18978 4221 1 6 . 1 1 44 44 LYS H H 44 7.730 7.730 7.668 0.062 18978 4222 1 6 . 1 1 45 45 GLU N N 45 124.090 124.090 126.513 -2.423 18978 4223 1 6 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.466 -0.186 18978 4224 1 6 . 1 1 45 45 GLU C C 45 175.730 175.730 175.500 0.230 18978 4225 1 6 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.163 0.567 18978 4226 1 6 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.708 -0.638 18978 4227 1 6 . 1 1 45 45 GLU H H 45 8.490 8.490 8.655 -0.165 18978 4228 1 6 . 1 1 46 46 VAL N N 46 129.960 129.960 127.594 2.366 18978 4229 1 6 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.313 -0.283 18978 4230 1 6 . 1 1 46 46 VAL C C 46 174.610 174.610 173.855 0.755 18978 4231 1 6 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.810 1.870 18978 4232 1 6 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.558 -0.678 18978 4233 1 6 . 1 1 46 46 VAL H H 46 8.920 8.920 8.542 0.378 18978 4234 1 6 . 1 1 47 47 LYS N N 47 124.790 124.790 128.124 -3.334 18978 4235 1 6 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.886 0.234 18978 4236 1 6 . 1 1 47 47 LYS C C 47 175.380 175.380 175.549 -0.169 18978 4237 1 6 . 1 1 47 47 LYS CA C 47 55.200 55.200 54.513 0.687 18978 4238 1 6 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.360 1.310 18978 4239 1 6 . 1 1 47 47 LYS H H 47 7.860 7.860 8.456 -0.596 18978 4240 1 6 . 1 1 48 48 PHE N N 48 118.270 118.270 123.432 -5.162 18978 4241 1 6 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.823 0.137 18978 4242 1 6 . 1 1 48 48 PHE C C 48 173.950 173.950 174.574 -0.624 18978 4243 1 6 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.115 -1.205 18978 4244 1 6 . 1 1 48 48 PHE CB C 48 42.950 42.950 42.098 0.852 18978 4245 1 6 . 1 1 48 48 PHE H H 48 9.270 9.270 8.858 0.412 18978 4246 1 6 . 1 1 49 49 LYS N N 49 121.960 121.960 123.263 -1.303 18978 4247 1 6 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.860 0.050 18978 4248 1 6 . 1 1 49 49 LYS C C 49 176.230 176.230 175.508 0.722 18978 4249 1 6 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.644 -0.734 18978 4250 1 6 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.012 -0.842 18978 4251 1 6 . 1 1 49 49 LYS H H 49 9.170 9.170 8.702 0.468 18978 4252 1 6 . 1 1 50 50 VAL N N 50 127.140 127.140 127.187 -0.047 18978 4253 1 6 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.066 0.104 18978 4254 1 6 . 1 1 50 50 VAL C C 50 175.500 175.500 176.378 -0.878 18978 4255 1 6 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.230 -1.250 18978 4256 1 6 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.223 -0.733 18978 4257 1 6 . 1 1 50 50 VAL H H 50 9.400 9.400 8.344 1.056 18978 4258 1 6 . 1 1 51 51 VAL N N 51 132.840 132.840 129.090 3.750 18978 4259 1 6 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.881 -0.231 18978 4260 1 6 . 1 1 51 51 VAL C C 51 176.440 176.440 175.877 0.563 18978 4261 1 6 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.537 -0.607 18978 4262 1 6 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.278 -0.148 18978 4263 1 6 . 1 1 51 51 VAL H H 51 8.390 8.390 8.446 -0.056 18978 4264 1 6 . 1 1 52 52 GLN N N 52 114.500 114.500 114.579 -0.079 18978 4265 1 6 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.436 -0.166 18978 4266 1 6 . 1 1 52 52 GLN C C 52 172.290 172.290 173.506 -1.216 18978 4267 1 6 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.341 1.299 18978 4268 1 6 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.185 0.445 18978 4269 1 6 . 1 1 52 52 GLN H H 52 7.470 7.470 7.483 -0.013 18978 4270 1 6 . 1 1 53 53 ALA N N 53 131.410 131.410 128.326 3.084 18978 4271 1 6 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.811 0.019 18978 4272 1 6 . 1 1 53 53 ALA C C 53 174.270 174.270 175.134 -0.864 18978 4273 1 6 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.542 0.258 18978 4274 1 6 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.730 -1.630 18978 4275 1 6 . 1 1 53 53 ALA H H 53 8.200 8.200 8.410 -0.210 18978 4276 1 6 . 1 1 54 54 TYR N N 54 124.140 124.140 123.929 0.211 18978 4277 1 6 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.966 -0.426 18978 4278 1 6 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.618 -1.348 18978 4279 1 6 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.041 -0.681 18978 4280 1 6 . 1 1 54 54 TYR H H 54 8.860 8.860 8.493 0.367 18978 4281 1 6 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.298 -0.178 18978 4282 1 6 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.402 1.048 18978 4283 1 6 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.045 1.125 18978 4284 1 6 . 1 1 56 56 SER N N 56 106.200 106.200 114.572 -8.372 18978 4285 1 6 . 1 1 56 56 SER HA H 56 4.720 4.720 4.861 -0.141 18978 4286 1 6 . 1 1 56 56 SER CA C 56 54.250 54.250 56.010 -1.760 18978 4287 1 6 . 1 1 56 56 SER CB C 56 64.530 64.530 64.658 -0.128 18978 4288 1 6 . 1 1 56 56 SER H H 56 7.380 7.380 8.081 -0.701 18978 4289 1 6 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.417 0.463 18978 4290 1 6 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.927 0.063 18978 4291 1 6 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.490 2.730 18978 4292 1 6 . 1 1 58 58 LEU N N 58 120.480 120.480 123.906 -3.426 18978 4293 1 6 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.686 -0.256 18978 4294 1 6 . 1 1 58 58 LEU C C 58 174.570 174.570 175.372 -0.802 18978 4295 1 6 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.915 -0.015 18978 4296 1 6 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.415 -1.205 18978 4297 1 6 . 1 1 58 58 LEU H H 58 8.960 8.960 8.312 0.648 18978 4298 1 6 . 1 1 59 59 ARG N N 59 125.180 125.180 126.152 -0.972 18978 4299 1 6 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.520 0.410 18978 4300 1 6 . 1 1 59 59 ARG C C 59 175.460 175.460 175.482 -0.022 18978 4301 1 6 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.995 -0.955 18978 4302 1 6 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.319 -0.769 18978 4303 1 6 . 1 1 59 59 ARG H H 59 8.130 8.130 8.589 -0.459 18978 4304 1 6 . 1 1 60 60 VAL N N 60 128.170 128.170 128.444 -0.274 18978 4305 1 6 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.955 -0.545 18978 4306 1 6 . 1 1 60 60 VAL C C 60 175.460 175.460 174.776 0.684 18978 4307 1 6 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.462 1.748 18978 4308 1 6 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.807 -1.967 18978 4309 1 6 . 1 1 60 60 VAL H H 60 8.450 8.450 8.185 0.265 18978 4310 1 6 . 1 1 61 61 GLU N N 61 127.670 127.670 126.815 0.855 18978 4311 1 6 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.627 0.243 18978 4312 1 6 . 1 1 61 61 GLU C C 61 176.960 176.960 176.451 0.509 18978 4313 1 6 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.647 -0.317 18978 4314 1 6 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.559 -0.279 18978 4315 1 6 . 1 1 61 61 GLU H H 61 8.620 8.620 7.858 0.762 18978 4316 1 6 . 1 1 62 62 ASP N N 62 121.140 121.140 122.923 -1.783 18978 4317 1 6 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.286 -0.136 18978 4318 1 6 . 1 1 62 62 ASP C C 62 177.460 177.460 176.488 0.972 18978 4319 1 6 . 1 1 62 62 ASP CA C 62 57.620 57.620 56.998 0.622 18978 4320 1 6 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.474 -0.114 18978 4321 1 6 . 1 1 62 62 ASP H H 62 8.700 8.700 8.876 -0.176 18978 4322 1 6 . 1 1 63 63 ARG N N 63 112.890 112.890 117.148 -4.258 18978 4323 1 6 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.284 -0.004 18978 4324 1 6 . 1 1 63 63 ARG C C 63 176.510 176.510 176.578 -0.068 18978 4325 1 6 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.575 -1.125 18978 4326 1 6 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.910 0.080 18978 4327 1 6 . 1 1 63 63 ARG H H 63 7.760 7.760 7.883 -0.123 18978 4328 1 6 . 1 1 64 64 THR N N 64 120.650 120.650 118.449 2.201 18978 4329 1 6 . 1 1 64 64 THR HA H 64 4.020 4.020 4.268 -0.248 18978 4330 1 6 . 1 1 64 64 THR C C 64 173.810 173.810 174.297 -0.487 18978 4331 1 6 . 1 1 64 64 THR CA C 64 64.060 64.060 63.663 0.397 18978 4332 1 6 . 1 1 64 64 THR CB C 64 69.350 69.350 69.594 -0.244 18978 4333 1 6 . 1 1 64 64 THR H H 64 7.700 7.700 7.654 0.046 18978 4334 1 6 . 1 1 65 65 LYS N N 65 130.950 130.950 127.884 3.066 18978 4335 1 6 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.496 -0.226 18978 4336 1 6 . 1 1 65 65 LYS C C 65 174.560 174.560 175.423 -0.863 18978 4337 1 6 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.663 0.617 18978 4338 1 6 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.238 -0.118 18978 4339 1 6 . 1 1 65 65 LYS H H 65 8.520 8.520 8.248 0.272 18978 4340 1 6 . 1 1 66 66 ILE N N 66 128.020 128.020 125.551 2.469 18978 4341 1 6 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.788 0.062 18978 4342 1 6 . 1 1 66 66 ILE C C 66 174.650 174.650 175.987 -1.337 18978 4343 1 6 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.313 -0.493 18978 4344 1 6 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.066 -1.786 18978 4345 1 6 . 1 1 66 66 ILE H H 66 8.430 8.430 8.564 -0.134 18978 4346 1 6 . 1 1 67 67 THR N N 67 123.870 123.870 122.620 1.250 18978 4347 1 6 . 1 1 67 67 THR HA H 67 4.470 4.470 4.746 -0.276 18978 4348 1 6 . 1 1 67 67 THR C C 67 172.760 172.760 172.566 0.194 18978 4349 1 6 . 1 1 67 67 THR CA C 67 60.740 60.740 61.173 -0.433 18978 4350 1 6 . 1 1 67 67 THR CB C 67 71.320 71.320 71.068 0.252 18978 4351 1 6 . 1 1 67 67 THR H H 67 8.870 8.870 8.415 0.455 18978 4352 1 6 . 1 1 68 68 LEU N N 68 127.070 127.070 128.512 -1.442 18978 4353 1 6 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.042 0.098 18978 4354 1 6 . 1 1 68 68 LEU C C 68 176.610 176.610 176.178 0.432 18978 4355 1 6 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.778 -0.498 18978 4356 1 6 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.425 -0.825 18978 4357 1 6 . 1 1 68 68 LEU H H 68 8.820 8.820 8.697 0.123 18978 4358 1 6 . 1 1 69 69 VAL N N 69 124.120 124.120 127.827 -3.707 18978 4359 1 6 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.330 -0.070 18978 4360 1 6 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.128 -0.778 18978 4361 1 6 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.406 0.384 18978 4362 1 6 . 1 1 69 69 VAL H H 69 8.800 8.800 8.413 0.387 18978 4363 1 6 . 1 1 70 70 THR N N 70 114.500 114.500 117.394 -2.894 18978 4364 1 6 . 1 1 70 70 THR HA H 70 4.410 4.410 4.571 -0.161 18978 4365 1 6 . 1 1 70 70 THR CA C 70 60.800 60.800 61.016 -0.216 18978 4366 1 6 . 1 1 70 70 THR CB C 70 69.650 69.650 70.529 -0.879 18978 4367 1 6 . 1 1 70 70 THR H H 70 8.160 8.160 8.266 -0.106 18978 4368 1 6 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.685 -0.755 18978 4369 1 6 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.741 1.779 18978 4370 1 6 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.647 1.493 18978 4371 1 6 . 1 1 73 73 VAL N N 73 117.500 117.500 117.632 -0.132 18978 4372 1 6 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.373 0.147 18978 4373 1 6 . 1 1 73 73 VAL C C 73 174.100 174.100 175.289 -1.189 18978 4374 1 6 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.949 0.061 18978 4375 1 6 . 1 1 73 73 VAL CB C 73 33.330 33.330 33.430 -0.100 18978 4376 1 6 . 1 1 73 73 VAL H H 73 7.410 7.410 7.827 -0.417 18978 4377 1 6 . 1 1 74 74 ASP N N 74 124.500 124.500 122.176 2.324 18978 4378 1 6 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.899 0.011 18978 4379 1 6 . 1 1 74 74 ASP C C 74 174.000 174.000 175.480 -1.480 18978 4380 1 6 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.751 -0.301 18978 4381 1 6 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.009 2.341 18978 4382 1 6 . 1 1 74 74 ASP H H 74 8.290 8.290 8.369 -0.079 18978 4383 1 6 . 1 1 75 75 VAL N N 75 122.400 122.400 123.884 -1.484 18978 4384 1 6 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.359 0.331 18978 4385 1 6 . 1 1 75 75 VAL C C 75 174.600 174.600 175.169 -0.569 18978 4386 1 6 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.512 -0.312 18978 4387 1 6 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.668 0.662 18978 4388 1 6 . 1 1 75 75 VAL H H 75 7.780 7.780 8.483 -0.703 18978 4389 1 6 . 1 1 76 76 LEU N N 76 130.300 130.300 127.518 2.782 18978 4390 1 6 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.698 0.022 18978 4391 1 6 . 1 1 76 76 LEU C C 76 174.400 174.400 176.026 -1.626 18978 4392 1 6 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.283 -0.653 18978 4393 1 6 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.666 1.294 18978 4394 1 6 . 1 1 76 76 LEU H H 76 9.200 9.200 8.420 0.780 18978 4395 1 6 . 1 1 77 77 GLU N N 77 118.600 118.600 122.091 -3.491 18978 4396 1 6 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.531 0.789 18978 4397 1 6 . 1 1 77 77 GLU C C 77 174.900 174.900 175.033 -0.133 18978 4398 1 6 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.779 -1.688 18978 4399 1 6 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.014 2.186 18978 4400 1 6 . 1 1 77 77 GLU H H 77 8.010 8.010 8.529 -0.519 18978 4401 1 6 . 1 1 78 78 ALA N N 78 124.500 124.500 124.487 0.013 18978 4402 1 6 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.512 0.128 18978 4403 1 6 . 1 1 78 78 ALA C C 78 175.500 175.500 176.505 -1.005 18978 4404 1 6 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.523 -0.843 18978 4405 1 6 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.366 0.444 18978 4406 1 6 . 1 1 78 78 ALA H H 78 8.800 8.800 8.251 0.549 18978 4407 1 6 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.370 0.110 18978 4408 1 6 . 1 1 79 79 LYS C C 79 174.700 174.700 175.586 -0.886 18978 4409 1 6 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.209 -0.109 18978 4410 1 6 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.727 -1.787 18978 4411 1 6 . 1 1 80 80 ILE N N 80 127.300 127.300 125.014 2.286 18978 4412 1 6 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.255 -0.175 18978 4413 1 6 . 1 1 80 80 ILE C C 80 172.700 172.700 175.022 -2.322 18978 4414 1 6 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.356 -0.416 18978 4415 1 6 . 1 1 80 80 ILE CB C 80 40.930 40.930 39.326 1.604 18978 4416 1 6 . 1 1 80 80 ILE H H 80 7.380 7.380 8.533 -1.153 18978 4417 1 6 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.539 -0.259 18978 4418 1 6 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.861 0.259 18978 4419 1 6 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.941 -0.190 18978 4420 1 6 . 1 1 82 82 GLY N N 82 113.000 113.000 112.258 0.742 18978 4421 1 6 . 1 1 82 82 GLY C C 82 174.600 174.600 174.151 0.449 18978 4422 1 6 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.615 2.255 18978 4423 1 6 . 1 1 82 82 GLY H H 82 8.210 8.210 8.739 -0.529 18978 4424 1 6 . 1 1 83 83 ILE N N 83 121.200 121.200 119.217 1.983 18978 4425 1 6 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.849 -0.509 18978 4426 1 6 . 1 1 83 83 ILE C C 83 175.000 175.000 176.412 -1.412 18978 4427 1 6 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.200 2.510 18978 4428 1 6 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.775 -0.285 18978 4429 1 6 . 1 1 83 83 ILE H H 83 8.350 8.350 8.151 0.199 18978 4430 1 6 . 1 1 84 84 LYS N N 84 129.400 129.400 128.936 0.464 18978 4431 1 6 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.346 0.144 18978 4432 1 6 . 1 1 84 84 LYS C C 84 175.000 175.000 176.302 -1.302 18978 4433 1 6 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.126 -1.056 18978 4434 1 6 . 1 1 84 84 LYS CB C 84 34.490 34.490 33.979 0.511 18978 4435 1 6 . 1 1 84 84 LYS H H 84 9.160 9.160 8.624 0.536 18978 4436 1 6 . 1 1 85 85 ASP N N 85 117.500 117.500 117.625 -0.125 18978 4437 1 6 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.944 -0.164 18978 4438 1 6 . 1 1 85 85 ASP C C 85 173.200 173.200 173.781 -0.581 18978 4439 1 6 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.849 -0.759 18978 4440 1 6 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.401 -0.911 18978 4441 1 6 . 1 1 85 85 ASP H H 85 7.990 7.990 7.769 0.221 18978 4442 1 6 . 1 1 86 86 VAL N N 86 119.400 119.400 121.664 -2.264 18978 4443 1 6 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.505 0.665 18978 4444 1 6 . 1 1 86 86 VAL C C 86 172.500 172.500 175.197 -2.697 18978 4445 1 6 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.340 -1.590 18978 4446 1 6 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.232 0.928 18978 4447 1 6 . 1 1 86 86 VAL H H 86 8.210 8.210 8.500 -0.290 18978 4448 1 6 . 1 1 87 87 ILE N N 87 127.100 127.100 128.102 -1.002 18978 4449 1 6 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.459 -0.249 18978 4450 1 6 . 1 1 87 87 ILE C C 87 173.600 173.600 174.421 -0.821 18978 4451 1 6 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.300 0.170 18978 4452 1 6 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.492 0.998 18978 4453 1 6 . 1 1 87 87 ILE H H 87 9.190 9.190 8.749 0.441 18978 4454 1 6 . 1 1 88 88 LEU N N 88 125.700 125.700 129.148 -3.448 18978 4455 1 6 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.737 0.303 18978 4456 1 6 . 1 1 88 88 LEU C C 88 174.500 174.500 175.199 -0.699 18978 4457 1 6 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.214 -1.274 18978 4458 1 6 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.285 -0.775 18978 4459 1 6 . 1 1 88 88 LEU H H 88 7.840 7.840 8.447 -0.607 18978 4460 1 6 . 1 1 89 89 ASP N N 89 127.800 127.800 125.242 2.558 18978 4461 1 6 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.025 -0.255 18978 4462 1 6 . 1 1 89 89 ASP C C 89 174.100 174.100 176.214 -2.114 18978 4463 1 6 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.620 0.000 18978 4464 1 6 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.387 -0.317 18978 4465 1 6 . 1 1 89 89 ASP H H 89 8.280 8.280 8.758 -0.478 18978 4466 1 6 . 1 1 90 90 GLU N N 90 122.400 122.400 123.381 -0.981 18978 4467 1 6 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.027 -0.177 18978 4468 1 6 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.037 -0.207 18978 4469 1 6 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.914 -0.504 18978 4470 1 6 . 1 1 90 90 GLU H H 90 8.980 8.980 8.585 0.395 18978 4471 1 6 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.879 -0.599 18978 4472 1 6 . 1 1 91 91 ASN C C 91 173.600 173.600 173.460 0.140 18978 4473 1 6 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.898 1.262 18978 4474 1 6 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.562 -0.662 18978 4475 1 6 . 1 1 92 92 LEU N N 92 117.400 117.400 119.541 -2.141 18978 4476 1 6 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.743 0.287 18978 4477 1 6 . 1 1 92 92 LEU C C 92 174.700 174.700 174.179 0.521 18978 4478 1 6 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.668 -0.968 18978 4479 1 6 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.043 0.207 18978 4480 1 6 . 1 1 92 92 LEU H H 92 7.110 7.110 7.815 -0.705 18978 4481 1 6 . 1 1 93 93 ILE N N 93 121.300 121.300 121.325 -0.025 18978 4482 1 6 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.553 -0.103 18978 4483 1 6 . 1 1 93 93 ILE C C 93 174.000 174.000 174.341 -0.341 18978 4484 1 6 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.725 0.245 18978 4485 1 6 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.573 0.057 18978 4486 1 6 . 1 1 93 93 ILE H H 93 8.450 8.450 8.556 -0.106 18978 4487 1 6 . 1 1 94 94 VAL N N 94 128.000 128.000 127.568 0.432 18978 4488 1 6 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.965 -0.125 18978 4489 1 6 . 1 1 94 94 VAL C C 94 174.000 174.000 174.650 -0.650 18978 4490 1 6 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.522 0.578 18978 4491 1 6 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.739 -1.619 18978 4492 1 6 . 1 1 94 94 VAL H H 94 8.970 8.970 8.438 0.532 18978 4493 1 6 . 1 1 95 95 VAL N N 95 127.700 127.700 127.480 0.220 18978 4494 1 6 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.587 0.083 18978 4495 1 6 . 1 1 95 95 VAL C C 95 173.300 173.300 174.587 -1.287 18978 4496 1 6 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.177 -0.337 18978 4497 1 6 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.991 -0.751 18978 4498 1 6 . 1 1 95 95 VAL H H 95 9.420 9.420 8.514 0.906 18978 4499 1 6 . 1 1 96 96 ILE N N 96 126.000 126.000 126.732 -0.732 18978 4500 1 6 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.961 0.259 18978 4501 1 6 . 1 1 96 96 ILE C C 96 177.100 177.100 175.590 1.510 18978 4502 1 6 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.844 -0.274 18978 4503 1 6 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.434 0.316 18978 4504 1 6 . 1 1 96 96 ILE H H 96 8.460 8.460 8.665 -0.205 18978 4505 1 6 . 1 1 97 97 THR N N 97 118.100 118.100 117.585 0.515 18978 4506 1 6 . 1 1 97 97 THR HA H 97 5.250 5.250 4.838 0.411 18978 4507 1 6 . 1 1 97 97 THR C C 97 176.300 176.300 175.616 0.684 18978 4508 1 6 . 1 1 97 97 THR CA C 97 59.650 59.650 59.914 -0.264 18978 4509 1 6 . 1 1 97 97 THR CB C 97 71.890 71.890 71.589 0.301 18978 4510 1 6 . 1 1 97 97 THR H H 97 9.050 9.050 8.507 0.543 18978 4511 1 6 . 1 1 98 98 GLU N N 98 120.100 120.100 123.326 -3.226 18978 4512 1 6 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.958 0.162 18978 4513 1 6 . 1 1 98 98 GLU C C 98 176.200 176.200 177.225 -1.025 18978 4514 1 6 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.335 -1.445 18978 4515 1 6 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.627 -0.097 18978 4516 1 6 . 1 1 98 98 GLU H H 98 9.220 9.220 8.361 0.859 18978 4517 1 6 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.314 -0.164 18978 4518 1 6 . 1 1 99 99 GLU C C 99 174.200 174.200 175.742 -1.542 18978 4519 1 6 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.132 2.078 18978 4520 1 6 . 1 1 99 99 GLU CB C 99 29.870 29.870 29.252 0.618 18978 4521 1 6 . 1 1 100 100 ASN N N 100 113.200 113.200 115.318 -2.118 18978 4522 1 6 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.427 -0.317 18978 4523 1 6 . 1 1 100 100 ASN C C 100 173.700 173.700 173.455 0.245 18978 4524 1 6 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.575 -0.175 18978 4525 1 6 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.333 -0.473 18978 4526 1 6 . 1 1 100 100 ASN H H 100 8.020 8.020 8.010 0.010 18978 4527 1 6 . 1 1 101 101 GLU N N 101 115.500 115.500 118.090 -2.590 18978 4528 1 6 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.735 0.415 18978 4529 1 6 . 1 1 101 101 GLU C C 101 174.900 174.900 174.383 0.517 18978 4530 1 6 . 1 1 101 101 GLU CA C 101 55.050 55.050 54.834 0.216 18978 4531 1 6 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.550 -2.150 18978 4532 1 6 . 1 1 101 101 GLU H H 101 7.230 7.230 7.314 -0.084 18978 4533 1 6 . 1 1 102 102 VAL N N 102 122.700 122.700 124.565 -1.865 18978 4534 1 6 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.618 0.302 18978 4535 1 6 . 1 1 102 102 VAL C C 102 173.700 173.700 174.091 -0.391 18978 4536 1 6 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.246 -0.326 18978 4537 1 6 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.810 0.000 18978 4538 1 6 . 1 1 102 102 VAL H H 102 8.710 8.710 8.615 0.095 18978 4539 1 6 . 1 1 103 103 LEU N N 103 127.300 127.300 128.231 -0.931 18978 4540 1 6 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.720 -0.420 18978 4541 1 6 . 1 1 103 103 LEU C C 103 174.500 174.500 175.163 -0.663 18978 4542 1 6 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.947 -0.127 18978 4543 1 6 . 1 1 103 103 LEU H H 103 9.140 9.140 8.407 0.733 18978 4544 1 6 . 1 1 104 104 ILE N N 104 122.200 122.200 121.370 0.830 18978 4545 1 6 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.666 0.074 18978 4546 1 6 . 1 1 104 104 ILE C C 104 173.600 173.600 174.360 -0.760 18978 4547 1 6 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.426 -0.206 18978 4548 1 6 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.615 -0.466 18978 4549 1 6 . 1 1 104 104 ILE H H 104 8.470 8.470 8.306 0.164 18978 4550 1 6 . 1 1 105 105 PHE N N 105 126.600 126.600 125.009 1.591 18978 4551 1 6 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.666 -0.096 18978 4552 1 6 . 1 1 105 105 PHE C C 105 175.800 175.800 175.192 0.608 18978 4553 1 6 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.766 -0.315 18978 4554 1 6 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.496 1.173 18978 4555 1 6 . 1 1 105 105 PHE H H 105 9.330 9.330 9.045 0.285 18978 4556 1 6 . 1 1 106 106 ASN N N 106 116.000 116.000 118.359 -2.359 18978 4557 1 6 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.046 0.424 18978 4558 1 6 . 1 1 106 106 ASN C C 106 176.700 176.700 177.078 -0.378 18978 4559 1 6 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.257 -0.757 18978 4560 1 6 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.462 -0.862 18978 4561 1 6 . 1 1 106 106 ASN H H 106 7.710 7.710 8.256 -0.546 18978 4562 1 6 . 1 1 107 107 GLN N N 107 114.500 114.500 119.774 -5.274 18978 4563 1 6 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.032 -0.142 18978 4564 1 6 . 1 1 107 107 GLN C C 107 173.700 173.700 176.071 -2.371 18978 4565 1 6 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.854 -1.344 18978 4566 1 6 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.391 -1.301 18978 4567 1 6 . 1 1 107 107 GLN H H 107 8.040 8.040 8.820 -0.780 18978 4568 1 6 . 1 1 108 108 ASN N N 108 115.800 115.800 115.936 -0.136 18978 4569 1 6 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.617 0.053 18978 4570 1 6 . 1 1 108 108 ASN C C 108 173.600 173.600 175.507 -1.907 18978 4571 1 6 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.070 -0.980 18978 4572 1 6 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.322 0.538 18978 4573 1 6 . 1 1 108 108 ASN H H 108 7.440 7.440 8.157 -0.717 18978 4574 1 6 . 1 1 109 109 LEU N N 109 115.200 115.200 119.984 -4.784 18978 4575 1 6 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.890 -0.360 18978 4576 1 6 . 1 1 109 109 LEU C C 109 174.700 174.700 174.935 -0.235 18978 4577 1 6 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.076 -0.306 18978 4578 1 6 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.024 -1.324 18978 4579 1 6 . 1 1 109 109 LEU H H 109 8.220 8.220 7.659 0.561 18978 4580 1 6 . 1 1 110 110 GLU N N 110 117.600 117.600 118.561 -0.961 18978 4581 1 6 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.744 -0.324 18978 4582 1 6 . 1 1 110 110 GLU C C 110 175.800 175.800 175.673 0.127 18978 4583 1 6 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.623 0.557 18978 4584 1 6 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.294 -3.474 18978 4585 1 6 . 1 1 110 110 GLU H H 110 7.550 7.550 8.215 -0.665 18978 4586 1 6 . 1 1 111 111 GLU N N 111 125.900 125.900 121.774 4.126 18978 4587 1 6 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.109 -0.279 18978 4588 1 6 . 1 1 111 111 GLU C C 111 175.400 175.400 176.255 -0.855 18978 4589 1 6 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.630 -0.990 18978 4590 1 6 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.746 0.874 18978 4591 1 6 . 1 1 111 111 GLU H H 111 8.350 8.350 8.865 -0.515 18978 4592 1 6 . 1 1 112 112 LEU N N 112 128.000 128.000 126.294 1.706 18978 4593 1 6 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.527 -0.257 18978 4594 1 6 . 1 1 112 112 LEU C C 112 176.100 176.100 176.926 -0.826 18978 4595 1 6 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.304 -0.274 18978 4596 1 6 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.955 -1.185 18978 4597 1 6 . 1 1 112 112 LEU H H 112 9.110 9.110 8.224 0.886 18978 4598 1 6 . 1 1 113 113 TYR N N 113 116.300 116.300 119.581 -3.281 18978 4599 1 6 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.652 -0.322 18978 4600 1 6 . 1 1 113 113 TYR C C 113 171.700 171.700 172.841 -1.141 18978 4601 1 6 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.567 0.393 18978 4602 1 6 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.092 -0.372 18978 4603 1 6 . 1 1 113 113 TYR H H 113 7.250 7.250 7.494 -0.244 18978 4604 1 6 . 1 1 114 114 ARG N N 114 126.200 126.200 124.076 2.124 18978 4605 1 6 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.051 -0.031 18978 4606 1 6 . 1 1 114 114 ARG C C 114 173.500 173.500 174.058 -0.558 18978 4607 1 6 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.557 0.063 18978 4608 1 6 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.764 0.686 18978 4609 1 6 . 1 1 114 114 ARG H H 114 6.560 6.560 7.744 -1.184 18978 4610 1 6 . 1 1 115 115 GLY N N 115 111.300 111.300 110.770 0.530 18978 4611 1 6 . 1 1 115 115 GLY C C 115 178.100 178.100 171.496 6.604 18978 4612 1 6 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.362 0.048 18978 4613 1 6 . 1 1 115 115 GLY H H 115 8.320 8.320 8.292 0.028 18978 4614 1 6 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.409 0.361 18978 4615 1 6 . 1 1 116 116 LYS C C 116 174.400 174.400 174.701 -0.301 18978 4616 1 6 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.102 0.088 18978 4617 1 6 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.135 -0.795 18978 4618 1 6 . 1 1 117 117 PHE N N 117 125.800 125.800 123.908 1.892 18978 4619 1 6 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.870 -0.320 18978 4620 1 6 . 1 1 117 117 PHE C C 117 174.000 174.000 176.287 -2.287 18978 4621 1 6 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.134 0.716 18978 4622 1 6 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.344 0.816 18978 4623 1 6 . 1 1 117 117 PHE H H 117 8.090 8.090 8.417 -0.327 18978 4624 1 6 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.786 -0.126 18978 4625 1 6 . 1 1 119 119 ASN C C 119 173.500 173.500 174.140 -0.640 18978 4626 1 6 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.566 -0.087 18978 4627 1 6 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.543 -0.353 18978 4628 1 6 . 1 1 120 120 LEU N N 120 120.200 120.200 122.143 -1.943 18978 4629 1 6 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.174 -0.344 18978 4630 1 6 . 1 1 120 120 LEU C C 120 175.000 175.000 176.206 -1.206 18978 4631 1 6 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.306 -0.036 18978 4632 1 6 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.216 0.554 18978 4633 1 6 . 1 1 120 120 LEU H H 120 6.900 6.900 7.676 -0.776 18978 4634 1 6 . 1 1 121 121 ASN N N 121 124.200 124.200 124.685 -0.485 18978 4635 1 6 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.930 -0.040 18978 4636 1 6 . 1 1 121 121 ASN C C 121 174.300 174.300 174.768 -0.468 18978 4637 1 6 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.310 -0.430 18978 4638 1 6 . 1 1 121 121 ASN CB C 121 40.440 40.440 39.969 0.471 18978 4639 1 6 . 1 1 121 121 ASN H H 121 8.900 8.900 8.599 0.301 18978 4640 1 6 . 1 1 122 122 LYS N N 122 115.100 115.100 120.346 -5.246 18978 4641 1 6 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.619 -0.149 18978 4642 1 6 . 1 1 122 122 LYS C C 122 172.500 172.500 174.051 -1.551 18978 4643 1 6 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.799 -0.099 18978 4644 1 6 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.203 -0.543 18978 4645 1 6 . 1 1 122 122 LYS H H 122 7.410 7.410 7.789 -0.379 18978 4646 1 6 . 1 1 123 123 VAL N N 123 121.500 121.500 121.275 0.225 18978 4647 1 6 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.543 0.277 18978 4648 1 6 . 1 1 123 123 VAL C C 123 173.400 173.400 175.006 -1.606 18978 4649 1 6 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.449 -0.759 18978 4650 1 6 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.665 0.485 18978 4651 1 6 . 1 1 123 123 VAL H H 123 7.730 7.730 8.410 -0.680 18978 4652 1 6 . 1 1 124 124 LEU N N 124 126.600 126.600 129.386 -2.786 18978 4653 1 6 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.894 -0.174 18978 4654 1 6 . 1 1 124 124 LEU C C 124 174.200 174.200 174.611 -0.411 18978 4655 1 6 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.593 -1.213 18978 4656 1 6 . 1 1 124 124 LEU CB C 124 45.110 45.110 46.132 -1.022 18978 4657 1 6 . 1 1 124 124 LEU H H 124 9.060 9.060 8.619 0.441 18978 4658 1 6 . 1 1 125 125 VAL N N 125 120.300 120.300 123.953 -3.653 18978 4659 1 6 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.548 0.122 18978 4660 1 6 . 1 1 125 125 VAL C C 125 174.700 174.700 174.915 -0.215 18978 4661 1 6 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.127 -0.836 18978 4662 1 6 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.732 0.518 18978 4663 1 6 . 1 1 125 125 VAL H H 125 8.030 8.030 8.403 -0.373 18978 4664 1 6 . 1 1 126 126 ARG N N 126 127.100 127.100 127.025 0.075 18978 4665 1 6 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.721 -0.251 18978 4666 1 6 . 1 1 126 126 ARG C C 126 174.400 174.400 175.394 -0.994 18978 4667 1 6 . 1 1 126 126 ARG CA C 126 55.830 55.830 55.090 0.740 18978 4668 1 6 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.599 -2.300 18978 4669 1 6 . 1 1 126 126 ARG H H 126 8.630 8.630 8.460 0.170 18978 4670 1 6 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.269 0.021 18978 4671 1 6 . 1 1 127 127 ASN C C 127 172.600 172.600 174.450 -1.850 18978 4672 1 6 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.863 0.197 18978 4673 1 6 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.494 -0.544 18978 4674 1 6 . 1 1 128 128 ASP N N 128 117.600 117.600 120.076 -2.476 18978 4675 1 6 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.665 -0.215 18978 4676 1 6 . 1 1 128 128 ASP C C 128 174.000 174.000 174.748 -0.748 18978 4677 1 6 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.614 -0.094 18978 4678 1 6 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.458 -1.647 18978 4679 1 6 . 1 1 128 128 ASP H H 128 8.560 8.560 8.335 0.225 18978 4680 1 6 . 1 1 129 129 LEU N N 129 121.500 121.500 122.419 -0.919 18978 4681 1 6 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.714 0.356 18978 4682 1 6 . 1 1 129 129 LEU C C 129 174.800 174.800 174.141 0.659 18978 4683 1 6 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.588 -0.788 18978 4684 1 6 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.957 0.163 18978 4685 1 6 . 1 1 129 129 LEU H H 129 7.730 7.730 7.924 -0.194 18978 4686 1 6 . 1 1 130 130 VAL N N 130 120.600 120.600 126.829 -6.229 18978 4687 1 6 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.392 0.318 18978 4688 1 6 . 1 1 130 130 VAL C C 130 173.500 173.500 174.342 -0.842 18978 4689 1 6 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.509 -0.989 18978 4690 1 6 . 1 1 130 130 VAL CB C 130 33.750 33.750 33.844 -0.094 18978 4691 1 6 . 1 1 130 130 VAL H H 130 8.410 8.410 8.320 0.090 18978 4692 1 6 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.772 -0.172 18978 4693 1 6 . 1 1 131 131 VAL CA C 131 60.590 60.590 61.086 -0.496 18978 4694 1 6 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.493 -1.633 18978 4695 1 6 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.463 -0.163 18978 4696 1 6 . 1 1 132 132 ILE C C 132 174.900 174.900 174.295 0.605 18978 4697 1 6 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.288 0.192 18978 4698 1 6 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.871 -0.821 18978 4699 1 6 . 1 1 133 133 ILE N N 133 126.200 126.200 126.999 -0.799 18978 4700 1 6 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.469 0.201 18978 4701 1 6 . 1 1 133 133 ILE C C 133 174.200 174.200 174.114 0.086 18978 4702 1 6 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.617 1.313 18978 4703 1 6 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.075 1.045 18978 4704 1 6 . 1 1 133 133 ILE H H 133 8.490 8.490 8.690 -0.200 18978 4705 1 6 . 1 1 134 134 ASP N N 134 130.100 130.100 125.074 5.026 18978 4706 1 6 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.337 -0.387 18978 4707 1 6 . 1 1 134 134 ASP C C 134 174.600 174.600 176.705 -2.105 18978 4708 1 6 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.144 0.246 18978 4709 1 6 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.104 -0.734 18978 4710 1 6 . 1 1 134 134 ASP H H 134 8.360 8.360 8.169 0.191 18978 4711 1 6 . 1 1 135 135 GLU N N 135 118.000 118.000 121.377 -3.377 18978 4712 1 6 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.945 0.265 18978 4713 1 6 . 1 1 135 135 GLU C C 135 176.200 176.200 177.573 -1.373 18978 4714 1 6 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.173 -0.423 18978 4715 1 6 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.588 0.702 18978 4716 1 6 . 1 1 135 135 GLU H H 135 7.840 7.840 8.611 -0.771 18978 4717 1 6 . 1 1 136 136 GLN N N 136 115.200 115.200 116.174 -0.974 18978 4718 1 6 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.195 0.675 18978 4719 1 6 . 1 1 136 136 GLN C C 136 174.900 174.900 175.921 -1.021 18978 4720 1 6 . 1 1 136 136 GLN CA C 136 55.500 55.500 57.153 -1.653 18978 4721 1 6 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.652 1.278 18978 4722 1 6 . 1 1 136 136 GLN H H 136 8.860 8.860 8.387 0.473 18978 4723 1 6 . 1 1 137 137 LYS N N 137 118.100 118.100 114.555 3.545 18978 4724 1 6 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.478 0.432 18978 4725 1 6 . 1 1 137 137 LYS C C 137 172.400 172.400 173.654 -1.254 18978 4726 1 6 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.197 0.703 18978 4727 1 6 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.804 0.736 18978 4728 1 6 . 1 1 137 137 LYS H H 137 8.260 8.260 8.051 0.209 18978 4729 1 6 . 1 1 138 138 LEU N N 138 123.500 123.500 121.814 1.686 18978 4730 1 6 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.761 0.099 18978 4731 1 6 . 1 1 138 138 LEU C C 138 174.400 174.400 175.865 -1.465 18978 4732 1 6 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.817 -0.307 18978 4733 1 6 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.713 0.247 18978 4734 1 6 . 1 1 138 138 LEU H H 138 8.410 8.410 8.395 0.015 18978 4735 1 6 . 1 1 139 139 THR N N 139 123.600 123.600 123.445 0.155 18978 4736 1 6 . 1 1 139 139 THR HA H 139 4.830 4.830 4.580 0.250 18978 4737 1 6 . 1 1 139 139 THR C C 139 171.400 171.400 172.542 -1.142 18978 4738 1 6 . 1 1 139 139 THR CA C 139 62.240 62.240 62.184 0.056 18978 4739 1 6 . 1 1 139 139 THR CB C 139 70.120 70.120 70.050 0.070 18978 4740 1 6 . 1 1 139 139 THR H H 139 8.820 8.820 8.362 0.458 18978 4741 1 6 . 1 1 140 140 LEU N N 140 130.500 130.500 129.175 1.325 18978 4742 1 6 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.667 0.363 18978 4743 1 6 . 1 1 140 140 LEU C C 140 173.700 173.700 175.260 -1.560 18978 4744 1 6 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.326 -0.946 18978 4745 1 6 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.196 0.694 18978 4746 1 6 . 1 1 140 140 LEU H H 140 9.250 9.250 8.609 0.641 18978 4747 1 6 . 1 1 141 141 ILE N N 141 127.300 127.300 128.368 -1.068 18978 4748 1 6 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.326 0.334 18978 4749 1 6 . 1 1 141 141 ILE C C 141 174.200 174.200 174.361 -0.161 18978 4750 1 6 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.539 -1.029 18978 4751 1 6 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.089 -1.239 18978 4752 1 6 . 1 1 141 141 ILE H H 141 9.140 9.140 8.653 0.487 18978 4753 1 6 . 1 1 142 142 ARG N N 142 126.500 126.500 127.543 -1.043 18978 4754 1 6 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.574 0.306 18978 4755 1 6 . 1 1 142 142 ARG C C 142 175.100 175.100 175.763 -0.663 18978 4756 1 6 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.498 -0.958 18978 4757 1 6 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.777 -0.277 18978 4758 1 6 . 1 1 142 142 ARG H H 142 8.550 8.550 8.724 -0.174 18978 4759 1 7 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.576 -1.576 18978 4760 1 7 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 45.087 0.064 18978 4761 1 7 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.069 0.321 18978 4762 1 7 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.747 -3.017 18978 4763 1 7 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.266 -0.226 18978 4764 1 7 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.657 0.223 18978 4765 1 7 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.222 0.888 18978 4766 1 7 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 34.901 -2.142 18978 4767 1 7 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.201 -0.331 18978 4768 1 7 . 1 1 0 0 ILE N N 0 125.570 125.570 125.672 -0.102 18978 4769 1 7 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.518 -0.428 18978 4770 1 7 . 1 1 0 0 ILE C C 0 175.850 175.850 176.011 -0.161 18978 4771 1 7 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.343 0.457 18978 4772 1 7 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.385 0.085 18978 4773 1 7 . 1 1 0 0 ILE H H 0 8.230 8.230 8.318 -0.088 18978 4774 1 7 . 1 1 1 1 MET N N 1 125.930 125.930 123.913 2.017 18978 4775 1 7 . 1 1 1 1 MET HA H 1 4.540 4.540 4.714 -0.174 18978 4776 1 7 . 1 1 1 1 MET C C 1 174.830 174.830 175.337 -0.507 18978 4777 1 7 . 1 1 1 1 MET CA C 1 54.790 54.790 56.102 -1.312 18978 4778 1 7 . 1 1 1 1 MET CB C 1 32.640 32.640 33.115 -0.476 18978 4779 1 7 . 1 1 1 1 MET H H 1 8.370 8.370 8.459 -0.089 18978 4780 1 7 . 1 1 2 2 SER N N 2 116.400 116.400 117.845 -1.445 18978 4781 1 7 . 1 1 2 2 SER HA H 2 5.030 5.030 4.987 0.043 18978 4782 1 7 . 1 1 2 2 SER C C 2 174.330 174.330 172.746 1.584 18978 4783 1 7 . 1 1 2 2 SER CA C 2 57.320 57.320 57.388 -0.068 18978 4784 1 7 . 1 1 2 2 SER CB C 2 64.790 64.790 66.674 -1.884 18978 4785 1 7 . 1 1 2 2 SER H H 2 7.990 7.990 8.246 -0.256 18978 4786 1 7 . 1 1 3 3 GLU N N 3 123.670 123.670 121.003 2.667 18978 4787 1 7 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.383 -0.133 18978 4788 1 7 . 1 1 3 3 GLU C C 3 172.980 172.980 173.796 -0.816 18978 4789 1 7 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.510 -0.120 18978 4790 1 7 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.285 -0.375 18978 4791 1 7 . 1 1 3 3 GLU H H 3 9.430 9.430 8.532 0.898 18978 4792 1 7 . 1 1 4 4 LEU N N 4 125.350 125.350 126.311 -0.961 18978 4793 1 7 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.922 -0.052 18978 4794 1 7 . 1 1 4 4 LEU C C 4 174.000 174.000 174.497 -0.497 18978 4795 1 7 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.897 -0.877 18978 4796 1 7 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.901 0.139 18978 4797 1 7 . 1 1 4 4 LEU H H 4 8.930 8.930 8.520 0.410 18978 4798 1 7 . 1 1 5 5 LYS N N 5 124.640 124.640 126.629 -1.989 18978 4799 1 7 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.010 0.350 18978 4800 1 7 . 1 1 5 5 LYS C C 5 175.660 175.660 175.353 0.307 18978 4801 1 7 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.106 -0.166 18978 4802 1 7 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.997 0.283 18978 4803 1 7 . 1 1 5 5 LYS H H 5 8.840 8.840 8.394 0.446 18978 4804 1 7 . 1 1 6 6 LEU N N 6 123.460 123.460 124.881 -1.421 18978 4805 1 7 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.106 0.324 18978 4806 1 7 . 1 1 6 6 LEU C C 6 174.630 174.630 175.195 -0.565 18978 4807 1 7 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.355 -0.455 18978 4808 1 7 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.218 1.692 18978 4809 1 7 . 1 1 6 6 LEU H H 6 8.820 8.820 8.197 0.623 18978 4810 1 7 . 1 1 7 7 LYS N N 7 122.230 122.230 122.161 0.069 18978 4811 1 7 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.010 0.480 18978 4812 1 7 . 1 1 7 7 LYS CA C 7 52.270 52.270 53.031 -0.761 18978 4813 1 7 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.548 0.952 18978 4814 1 7 . 1 1 7 7 LYS H H 7 9.110 9.110 8.428 0.682 18978 4815 1 7 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.937 -0.837 18978 4816 1 7 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.823 -0.383 18978 4817 1 7 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.798 -2.158 18978 4818 1 7 . 1 1 9 9 LEU N N 9 123.250 123.250 123.192 0.058 18978 4819 1 7 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.531 -0.211 18978 4820 1 7 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.620 1.060 18978 4821 1 7 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.198 -1.438 18978 4822 1 7 . 1 1 9 9 LEU H H 9 8.490 8.490 8.239 0.251 18978 4823 1 7 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.489 0.041 18978 4824 1 7 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.215 0.665 18978 4825 1 7 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.156 -0.736 18978 4826 1 7 . 1 1 11 11 LYS N N 11 119.160 119.160 121.895 -2.735 18978 4827 1 7 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.291 -0.181 18978 4828 1 7 . 1 1 11 11 LYS C C 11 175.680 175.680 175.892 -0.212 18978 4829 1 7 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.130 0.080 18978 4830 1 7 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.685 -1.025 18978 4831 1 7 . 1 1 11 11 LYS H H 11 8.180 8.180 8.406 -0.226 18978 4832 1 7 . 1 1 12 12 VAL N N 12 121.820 121.820 123.768 -1.948 18978 4833 1 7 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.276 0.004 18978 4834 1 7 . 1 1 12 12 VAL C C 12 173.690 173.690 174.445 -0.755 18978 4835 1 7 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.197 -1.367 18978 4836 1 7 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.846 -1.296 18978 4837 1 7 . 1 1 12 12 VAL H H 12 7.530 7.530 7.858 -0.328 18978 4838 1 7 . 1 1 13 13 GLU N N 13 125.610 125.610 124.880 0.730 18978 4839 1 7 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.472 -0.142 18978 4840 1 7 . 1 1 13 13 GLU C C 13 175.390 175.390 175.492 -0.102 18978 4841 1 7 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.862 -0.642 18978 4842 1 7 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.169 -0.199 18978 4843 1 7 . 1 1 13 13 GLU H H 13 8.270 8.270 8.487 -0.217 18978 4844 1 7 . 1 1 14 14 LEU N N 14 125.880 125.880 126.772 -0.892 18978 4845 1 7 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.444 0.076 18978 4846 1 7 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.186 -0.526 18978 4847 1 7 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.913 -0.163 18978 4848 1 7 . 1 1 14 14 LEU H H 14 8.480 8.480 8.237 0.243 18978 4849 1 7 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.603 0.157 18978 4850 1 7 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.941 -0.611 18978 4851 1 7 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.301 -0.241 18978 4852 1 7 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.230 0.160 18978 4853 1 7 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.128 -0.578 18978 4854 1 7 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.801 -0.031 18978 4855 1 7 . 1 1 17 17 ASP N N 17 115.820 115.820 116.508 -0.688 18978 4856 1 7 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.592 0.028 18978 4857 1 7 . 1 1 17 17 ASP C C 17 177.100 177.100 177.385 -0.285 18978 4858 1 7 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.319 -0.430 18978 4859 1 7 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.008 0.112 18978 4860 1 7 . 1 1 17 17 ASP H H 17 8.560 8.560 8.769 -0.209 18978 4861 1 7 . 1 1 18 18 PHE N N 18 119.610 119.610 121.713 -2.103 18978 4862 1 7 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.145 0.035 18978 4863 1 7 . 1 1 18 18 PHE C C 18 176.740 176.740 176.616 0.124 18978 4864 1 7 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.886 -0.866 18978 4865 1 7 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.321 -0.091 18978 4866 1 7 . 1 1 18 18 PHE H H 18 7.940 7.940 7.776 0.164 18978 4867 1 7 . 1 1 19 19 VAL N N 19 116.370 116.370 118.127 -1.757 18978 4868 1 7 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.549 -0.199 18978 4869 1 7 . 1 1 19 19 VAL C C 19 176.400 176.400 177.750 -1.350 18978 4870 1 7 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.020 -0.510 18978 4871 1 7 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.314 -0.294 18978 4872 1 7 . 1 1 19 19 VAL H H 19 8.010 8.010 8.133 -0.123 18978 4873 1 7 . 1 1 20 20 ASP N N 20 119.190 119.190 119.318 -0.128 18978 4874 1 7 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.340 -0.030 18978 4875 1 7 . 1 1 20 20 ASP C C 20 178.360 178.360 178.738 -0.378 18978 4876 1 7 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.842 -0.732 18978 4877 1 7 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.698 -0.248 18978 4878 1 7 . 1 1 20 20 ASP H H 20 7.420 7.420 7.610 -0.190 18978 4879 1 7 . 1 1 21 21 VAL N N 21 119.830 119.830 120.183 -0.353 18978 4880 1 7 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.571 -0.061 18978 4881 1 7 . 1 1 21 21 VAL C C 21 178.100 178.100 178.144 -0.044 18978 4882 1 7 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.546 0.023 18978 4883 1 7 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.693 -0.283 18978 4884 1 7 . 1 1 21 21 VAL H H 21 7.190 7.190 7.093 0.097 18978 4885 1 7 . 1 1 22 22 ILE N N 22 118.490 118.490 119.192 -0.702 18978 4886 1 7 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.507 -0.337 18978 4887 1 7 . 1 1 22 22 ILE C C 22 176.660 176.660 177.995 -1.335 18978 4888 1 7 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.676 1.544 18978 4889 1 7 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.219 1.281 18978 4890 1 7 . 1 1 22 22 ILE H H 22 7.660 7.660 7.587 0.073 18978 4891 1 7 . 1 1 23 23 ARG N N 23 118.260 118.260 120.347 -2.087 18978 4892 1 7 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.929 -0.549 18978 4893 1 7 . 1 1 23 23 ARG C C 23 178.060 178.060 178.902 -0.842 18978 4894 1 7 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.983 0.587 18978 4895 1 7 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.125 -0.055 18978 4896 1 7 . 1 1 23 23 ARG H H 23 7.830 7.830 7.723 0.107 18978 4897 1 7 . 1 1 24 24 ILE N N 24 116.750 116.750 118.993 -2.243 18978 4898 1 7 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.702 0.018 18978 4899 1 7 . 1 1 24 24 ILE C C 24 179.090 179.090 178.224 0.866 18978 4900 1 7 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.433 -0.374 18978 4901 1 7 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.803 0.227 18978 4902 1 7 . 1 1 24 24 ILE H H 24 7.350 7.350 7.619 -0.269 18978 4903 1 7 . 1 1 25 25 LYS N N 25 118.700 118.700 117.908 0.792 18978 4904 1 7 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.020 0.070 18978 4905 1 7 . 1 1 25 25 LYS C C 25 178.560 178.560 178.205 0.355 18978 4906 1 7 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.038 -1.388 18978 4907 1 7 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.907 -0.817 18978 4908 1 7 . 1 1 25 25 LYS H H 25 7.880 7.880 7.599 0.281 18978 4909 1 7 . 1 1 26 26 LEU N N 26 116.380 116.380 117.150 -0.770 18978 4910 1 7 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.226 0.004 18978 4911 1 7 . 1 1 26 26 LEU C C 26 175.880 175.880 177.139 -1.259 18978 4912 1 7 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.659 -1.569 18978 4913 1 7 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.797 0.513 18978 4914 1 7 . 1 1 26 26 LEU H H 26 7.860 7.860 7.881 -0.021 18978 4915 1 7 . 1 1 27 27 GLN N N 27 119.210 119.210 117.193 2.017 18978 4916 1 7 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.908 -0.378 18978 4917 1 7 . 1 1 27 27 GLN C C 27 177.480 177.480 177.081 0.399 18978 4918 1 7 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.419 0.951 18978 4919 1 7 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.710 -0.410 18978 4920 1 7 . 1 1 27 27 GLN H H 27 7.190 7.190 7.617 -0.427 18978 4921 1 7 . 1 1 28 28 GLY N N 28 113.490 113.490 113.348 0.142 18978 4922 1 7 . 1 1 28 28 GLY C C 28 174.070 174.070 174.372 -0.302 18978 4923 1 7 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.885 0.395 18978 4924 1 7 . 1 1 28 28 GLY H H 28 8.940 8.940 8.692 0.248 18978 4925 1 7 . 1 1 29 29 LYS N N 29 122.060 122.060 122.151 -0.091 18978 4926 1 7 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.612 -0.212 18978 4927 1 7 . 1 1 29 29 LYS C C 29 175.560 175.560 175.748 -0.188 18978 4928 1 7 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.278 0.382 18978 4929 1 7 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.909 -1.039 18978 4930 1 7 . 1 1 29 29 LYS H H 29 8.350 8.350 7.855 0.495 18978 4931 1 7 . 1 1 30 30 THR N N 30 118.150 118.150 117.013 1.137 18978 4932 1 7 . 1 1 30 30 THR HA H 30 5.330 5.330 5.002 0.328 18978 4933 1 7 . 1 1 30 30 THR C C 30 174.860 174.860 174.536 0.324 18978 4934 1 7 . 1 1 30 30 THR CA C 30 62.040 62.040 61.626 0.414 18978 4935 1 7 . 1 1 30 30 THR CB C 30 69.420 69.420 69.902 -0.482 18978 4936 1 7 . 1 1 30 30 THR H H 30 8.410 8.410 8.311 0.099 18978 4937 1 7 . 1 1 31 31 VAL N N 31 122.510 122.510 120.574 1.936 18978 4938 1 7 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.573 -0.003 18978 4939 1 7 . 1 1 31 31 VAL C C 31 172.970 172.970 173.419 -0.449 18978 4940 1 7 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.378 -0.928 18978 4941 1 7 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.196 0.684 18978 4942 1 7 . 1 1 31 31 VAL H H 31 9.140 9.140 8.944 0.196 18978 4943 1 7 . 1 1 32 32 ARG N N 32 120.640 120.640 123.302 -2.662 18978 4944 1 7 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.794 -0.044 18978 4945 1 7 . 1 1 32 32 ARG C C 32 175.650 175.650 175.117 0.533 18978 4946 1 7 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.100 -0.450 18978 4947 1 7 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.279 -0.409 18978 4948 1 7 . 1 1 32 32 ARG H H 32 8.420 8.420 8.934 -0.514 18978 4949 1 7 . 1 1 33 33 THR N N 33 118.590 118.590 119.461 -0.871 18978 4950 1 7 . 1 1 33 33 THR HA H 33 3.410 3.410 3.785 -0.375 18978 4951 1 7 . 1 1 33 33 THR C C 33 175.020 175.020 175.500 -0.480 18978 4952 1 7 . 1 1 33 33 THR CA C 33 65.660 65.660 65.149 0.511 18978 4953 1 7 . 1 1 33 33 THR CB C 33 69.400 69.400 68.692 0.708 18978 4954 1 7 . 1 1 33 33 THR H H 33 8.370 8.370 8.582 -0.212 18978 4955 1 7 . 1 1 34 34 GLY N N 34 117.350 117.350 115.397 1.953 18978 4956 1 7 . 1 1 34 34 GLY C C 34 174.350 174.350 174.526 -0.176 18978 4957 1 7 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.839 0.161 18978 4958 1 7 . 1 1 34 34 GLY H H 34 9.090 9.090 8.702 0.388 18978 4959 1 7 . 1 1 35 35 ASP N N 35 122.240 122.240 122.608 -0.368 18978 4960 1 7 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.674 -0.204 18978 4961 1 7 . 1 1 35 35 ASP C C 35 174.570 174.570 175.301 -0.731 18978 4962 1 7 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.361 0.209 18978 4963 1 7 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.965 -0.285 18978 4964 1 7 . 1 1 35 35 ASP H H 35 8.010 8.010 7.829 0.181 18978 4965 1 7 . 1 1 36 36 VAL N N 36 119.860 119.860 121.432 -1.572 18978 4966 1 7 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.640 0.310 18978 4967 1 7 . 1 1 36 36 VAL C C 36 176.330 176.330 175.928 0.402 18978 4968 1 7 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.611 0.099 18978 4969 1 7 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.338 -0.438 18978 4970 1 7 . 1 1 36 36 VAL H H 36 8.330 8.330 8.417 -0.087 18978 4971 1 7 . 1 1 37 37 ILE N N 37 124.990 124.990 128.904 -3.914 18978 4972 1 7 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.513 0.117 18978 4973 1 7 . 1 1 37 37 ILE C C 37 174.400 174.400 174.908 -0.508 18978 4974 1 7 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.481 -1.491 18978 4975 1 7 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.131 0.679 18978 4976 1 7 . 1 1 37 37 ILE H H 37 9.160 9.160 8.649 0.511 18978 4977 1 7 . 1 1 38 38 GLY N N 38 112.060 112.060 113.003 -0.943 18978 4978 1 7 . 1 1 38 38 GLY C C 38 172.920 172.920 173.605 -0.685 18978 4979 1 7 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.276 0.304 18978 4980 1 7 . 1 1 38 38 GLY H H 38 8.660 8.660 8.448 0.212 18978 4981 1 7 . 1 1 39 39 ILE N N 39 123.220 123.220 124.577 -1.357 18978 4982 1 7 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.382 -0.012 18978 4983 1 7 . 1 1 39 39 ILE C C 39 174.500 174.500 175.302 -0.802 18978 4984 1 7 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.555 -1.005 18978 4985 1 7 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.314 -0.014 18978 4986 1 7 . 1 1 39 39 ILE H H 39 8.810 8.810 8.084 0.726 18978 4987 1 7 . 1 1 40 40 SER N N 40 121.430 121.430 122.912 -1.482 18978 4988 1 7 . 1 1 40 40 SER HA H 40 4.830 4.830 4.828 0.002 18978 4989 1 7 . 1 1 40 40 SER C C 40 174.130 174.130 174.036 0.094 18978 4990 1 7 . 1 1 40 40 SER CA C 40 57.770 57.770 57.694 0.076 18978 4991 1 7 . 1 1 40 40 SER CB C 40 63.040 63.040 63.519 -0.479 18978 4992 1 7 . 1 1 40 40 SER H H 40 8.540 8.540 8.699 -0.159 18978 4993 1 7 . 1 1 41 41 ILE N N 41 127.060 127.060 127.913 -0.853 18978 4994 1 7 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.375 -0.085 18978 4995 1 7 . 1 1 41 41 ILE C C 41 175.280 175.280 175.734 -0.454 18978 4996 1 7 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.940 -0.690 18978 4997 1 7 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.711 -0.871 18978 4998 1 7 . 1 1 41 41 ILE H H 41 8.930 8.930 8.490 0.440 18978 4999 1 7 . 1 1 42 42 LEU N N 42 126.770 126.770 129.236 -2.466 18978 5000 1 7 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.992 -0.102 18978 5001 1 7 . 1 1 42 42 LEU C C 42 177.130 177.130 177.051 0.079 18978 5002 1 7 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.658 -0.098 18978 5003 1 7 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.420 -2.050 18978 5004 1 7 . 1 1 42 42 LEU H H 42 9.380 9.380 8.993 0.387 18978 5005 1 7 . 1 1 43 43 GLY N N 43 103.820 103.820 104.854 -1.034 18978 5006 1 7 . 1 1 43 43 GLY C C 43 173.690 173.690 173.424 0.266 18978 5007 1 7 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.104 0.236 18978 5008 1 7 . 1 1 43 43 GLY H H 43 8.310 8.310 8.646 -0.336 18978 5009 1 7 . 1 1 44 44 LYS N N 44 121.160 121.160 120.473 0.687 18978 5010 1 7 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.569 -0.009 18978 5011 1 7 . 1 1 44 44 LYS C C 44 174.550 174.550 174.682 -0.132 18978 5012 1 7 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.380 -1.240 18978 5013 1 7 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.095 -0.475 18978 5014 1 7 . 1 1 44 44 LYS H H 44 7.730 7.730 7.650 0.080 18978 5015 1 7 . 1 1 45 45 GLU N N 45 124.090 124.090 128.216 -4.126 18978 5016 1 7 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.501 -0.221 18978 5017 1 7 . 1 1 45 45 GLU C C 45 175.730 175.730 175.186 0.544 18978 5018 1 7 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.163 0.566 18978 5019 1 7 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.602 -0.531 18978 5020 1 7 . 1 1 45 45 GLU H H 45 8.490 8.490 8.663 -0.173 18978 5021 1 7 . 1 1 46 46 VAL N N 46 129.960 129.960 127.811 2.149 18978 5022 1 7 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.213 -0.183 18978 5023 1 7 . 1 1 46 46 VAL C C 46 174.610 174.610 173.498 1.112 18978 5024 1 7 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.617 2.063 18978 5025 1 7 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.985 -0.105 18978 5026 1 7 . 1 1 46 46 VAL H H 46 8.920 8.920 8.331 0.589 18978 5027 1 7 . 1 1 47 47 LYS N N 47 124.790 124.790 128.736 -3.946 18978 5028 1 7 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.631 0.489 18978 5029 1 7 . 1 1 47 47 LYS C C 47 175.380 175.380 175.354 0.026 18978 5030 1 7 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.298 -0.098 18978 5031 1 7 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.380 1.290 18978 5032 1 7 . 1 1 47 47 LYS H H 47 7.860 7.860 8.374 -0.514 18978 5033 1 7 . 1 1 48 48 PHE N N 48 118.270 118.270 124.188 -5.918 18978 5034 1 7 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.969 -0.009 18978 5035 1 7 . 1 1 48 48 PHE C C 48 173.950 173.950 174.865 -0.915 18978 5036 1 7 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.949 -0.039 18978 5037 1 7 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.353 1.597 18978 5038 1 7 . 1 1 48 48 PHE H H 48 9.270 9.270 8.693 0.577 18978 5039 1 7 . 1 1 49 49 LYS N N 49 121.960 121.960 123.406 -1.446 18978 5040 1 7 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.872 0.038 18978 5041 1 7 . 1 1 49 49 LYS C C 49 176.230 176.230 175.723 0.507 18978 5042 1 7 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.688 -0.778 18978 5043 1 7 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.760 -0.590 18978 5044 1 7 . 1 1 49 49 LYS H H 49 9.170 9.170 8.594 0.576 18978 5045 1 7 . 1 1 50 50 VAL N N 50 127.140 127.140 127.404 -0.264 18978 5046 1 7 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.984 0.186 18978 5047 1 7 . 1 1 50 50 VAL C C 50 175.500 175.500 176.517 -1.017 18978 5048 1 7 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.513 -1.533 18978 5049 1 7 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.698 -1.208 18978 5050 1 7 . 1 1 50 50 VAL H H 50 9.400 9.400 8.220 1.180 18978 5051 1 7 . 1 1 51 51 VAL N N 51 132.840 132.840 129.944 2.896 18978 5052 1 7 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.873 -0.223 18978 5053 1 7 . 1 1 51 51 VAL C C 51 176.440 176.440 176.144 0.296 18978 5054 1 7 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.079 -0.149 18978 5055 1 7 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.346 -0.216 18978 5056 1 7 . 1 1 51 51 VAL H H 51 8.390 8.390 8.453 -0.063 18978 5057 1 7 . 1 1 52 52 GLN N N 52 114.500 114.500 115.497 -0.997 18978 5058 1 7 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.579 -0.309 18978 5059 1 7 . 1 1 52 52 GLN C C 52 172.290 172.290 173.406 -1.116 18978 5060 1 7 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.616 1.024 18978 5061 1 7 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.604 0.026 18978 5062 1 7 . 1 1 52 52 GLN H H 52 7.470 7.470 7.513 -0.043 18978 5063 1 7 . 1 1 53 53 ALA N N 53 131.410 131.410 128.280 3.130 18978 5064 1 7 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.920 -0.090 18978 5065 1 7 . 1 1 53 53 ALA C C 53 174.270 174.270 175.251 -0.981 18978 5066 1 7 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.397 0.403 18978 5067 1 7 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.187 -2.087 18978 5068 1 7 . 1 1 53 53 ALA H H 53 8.200 8.200 8.697 -0.497 18978 5069 1 7 . 1 1 54 54 TYR N N 54 124.140 124.140 124.133 0.007 18978 5070 1 7 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.974 -0.434 18978 5071 1 7 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.880 -1.611 18978 5072 1 7 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.244 -0.884 18978 5073 1 7 . 1 1 54 54 TYR H H 54 8.860 8.860 8.640 0.220 18978 5074 1 7 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.203 -0.083 18978 5075 1 7 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.376 1.074 18978 5076 1 7 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.517 1.653 18978 5077 1 7 . 1 1 56 56 SER N N 56 106.200 106.200 114.540 -8.340 18978 5078 1 7 . 1 1 56 56 SER HA H 56 4.720 4.720 4.797 -0.077 18978 5079 1 7 . 1 1 56 56 SER CA C 56 54.250 54.250 56.214 -1.964 18978 5080 1 7 . 1 1 56 56 SER CB C 56 64.530 64.530 64.196 0.334 18978 5081 1 7 . 1 1 56 56 SER H H 56 7.380 7.380 8.102 -0.722 18978 5082 1 7 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.387 0.493 18978 5083 1 7 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.914 0.076 18978 5084 1 7 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.552 2.668 18978 5085 1 7 . 1 1 58 58 LEU N N 58 120.480 120.480 123.778 -3.298 18978 5086 1 7 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.654 -0.224 18978 5087 1 7 . 1 1 58 58 LEU C C 58 174.570 174.570 175.205 -0.635 18978 5088 1 7 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.895 0.006 18978 5089 1 7 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.306 -1.096 18978 5090 1 7 . 1 1 58 58 LEU H H 58 8.960 8.960 8.428 0.532 18978 5091 1 7 . 1 1 59 59 ARG N N 59 125.180 125.180 126.003 -0.823 18978 5092 1 7 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.516 0.414 18978 5093 1 7 . 1 1 59 59 ARG C C 59 175.460 175.460 175.501 -0.041 18978 5094 1 7 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.974 -0.934 18978 5095 1 7 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.293 -0.743 18978 5096 1 7 . 1 1 59 59 ARG H H 59 8.130 8.130 8.589 -0.459 18978 5097 1 7 . 1 1 60 60 VAL N N 60 128.170 128.170 128.768 -0.598 18978 5098 1 7 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.941 -0.531 18978 5099 1 7 . 1 1 60 60 VAL C C 60 175.460 175.460 174.724 0.736 18978 5100 1 7 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.668 1.542 18978 5101 1 7 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.830 -1.990 18978 5102 1 7 . 1 1 60 60 VAL H H 60 8.450 8.450 8.285 0.165 18978 5103 1 7 . 1 1 61 61 GLU N N 61 127.670 127.670 127.083 0.587 18978 5104 1 7 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.631 0.239 18978 5105 1 7 . 1 1 61 61 GLU C C 61 176.960 176.960 176.613 0.347 18978 5106 1 7 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.468 -0.138 18978 5107 1 7 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.212 0.068 18978 5108 1 7 . 1 1 61 61 GLU H H 61 8.620 8.620 7.828 0.792 18978 5109 1 7 . 1 1 62 62 ASP N N 62 121.140 121.140 123.073 -1.933 18978 5110 1 7 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.249 -0.099 18978 5111 1 7 . 1 1 62 62 ASP C C 62 177.460 177.460 177.293 0.167 18978 5112 1 7 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.352 0.268 18978 5113 1 7 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.487 -0.127 18978 5114 1 7 . 1 1 62 62 ASP H H 62 8.700 8.700 8.857 -0.157 18978 5115 1 7 . 1 1 63 63 ARG N N 63 112.890 112.890 117.883 -4.993 18978 5116 1 7 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.197 0.083 18978 5117 1 7 . 1 1 63 63 ARG C C 63 176.510 176.510 177.148 -0.638 18978 5118 1 7 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.947 -1.497 18978 5119 1 7 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.391 -0.401 18978 5120 1 7 . 1 1 63 63 ARG H H 63 7.760 7.760 8.062 -0.302 18978 5121 1 7 . 1 1 64 64 THR N N 64 120.650 120.650 116.363 4.287 18978 5122 1 7 . 1 1 64 64 THR HA H 64 4.020 4.020 4.389 -0.369 18978 5123 1 7 . 1 1 64 64 THR C C 64 173.810 173.810 174.265 -0.455 18978 5124 1 7 . 1 1 64 64 THR CA C 64 64.060 64.060 63.845 0.215 18978 5125 1 7 . 1 1 64 64 THR CB C 64 69.350 69.350 69.413 -0.063 18978 5126 1 7 . 1 1 64 64 THR H H 64 7.700 7.700 7.566 0.134 18978 5127 1 7 . 1 1 65 65 LYS N N 65 130.950 130.950 126.477 4.473 18978 5128 1 7 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.531 -0.261 18978 5129 1 7 . 1 1 65 65 LYS C C 65 174.560 174.560 175.569 -1.009 18978 5130 1 7 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.681 0.599 18978 5131 1 7 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.483 -0.363 18978 5132 1 7 . 1 1 65 65 LYS H H 65 8.520 8.520 8.277 0.243 18978 5133 1 7 . 1 1 66 66 ILE N N 66 128.020 128.020 124.721 3.299 18978 5134 1 7 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.743 0.107 18978 5135 1 7 . 1 1 66 66 ILE C C 66 174.650 174.650 176.110 -1.460 18978 5136 1 7 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.316 -0.496 18978 5137 1 7 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.130 -1.850 18978 5138 1 7 . 1 1 66 66 ILE H H 66 8.430 8.430 8.523 -0.093 18978 5139 1 7 . 1 1 67 67 THR N N 67 123.870 123.870 123.104 0.766 18978 5140 1 7 . 1 1 67 67 THR HA H 67 4.470 4.470 4.739 -0.269 18978 5141 1 7 . 1 1 67 67 THR C C 67 172.760 172.760 172.656 0.104 18978 5142 1 7 . 1 1 67 67 THR CA C 67 60.740 60.740 61.337 -0.597 18978 5143 1 7 . 1 1 67 67 THR CB C 67 71.320 71.320 71.390 -0.070 18978 5144 1 7 . 1 1 67 67 THR H H 67 8.870 8.870 8.441 0.429 18978 5145 1 7 . 1 1 68 68 LEU N N 68 127.070 127.070 127.283 -0.213 18978 5146 1 7 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.776 0.364 18978 5147 1 7 . 1 1 68 68 LEU C C 68 176.610 176.610 176.222 0.388 18978 5148 1 7 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.071 -0.791 18978 5149 1 7 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.716 -1.116 18978 5150 1 7 . 1 1 68 68 LEU H H 68 8.820 8.820 8.554 0.266 18978 5151 1 7 . 1 1 69 69 VAL N N 69 124.120 124.120 126.711 -2.591 18978 5152 1 7 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.233 0.027 18978 5153 1 7 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.606 -1.256 18978 5154 1 7 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.673 0.117 18978 5155 1 7 . 1 1 69 69 VAL H H 69 8.800 8.800 8.037 0.763 18978 5156 1 7 . 1 1 70 70 THR N N 70 114.500 114.500 118.008 -3.508 18978 5157 1 7 . 1 1 70 70 THR HA H 70 4.410 4.410 4.501 -0.091 18978 5158 1 7 . 1 1 70 70 THR CA C 70 60.800 60.800 62.394 -1.594 18978 5159 1 7 . 1 1 70 70 THR CB C 70 69.650 69.650 69.668 -0.019 18978 5160 1 7 . 1 1 70 70 THR H H 70 8.160 8.160 8.207 -0.047 18978 5161 1 7 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.491 -0.561 18978 5162 1 7 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.643 1.877 18978 5163 1 7 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.156 1.984 18978 5164 1 7 . 1 1 73 73 VAL N N 73 117.500 117.500 116.441 1.059 18978 5165 1 7 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.070 0.450 18978 5166 1 7 . 1 1 73 73 VAL C C 73 174.100 174.100 175.684 -1.584 18978 5167 1 7 . 1 1 73 73 VAL CA C 73 60.010 60.010 61.681 -1.671 18978 5168 1 7 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.718 0.612 18978 5169 1 7 . 1 1 73 73 VAL H H 73 7.410 7.410 8.118 -0.708 18978 5170 1 7 . 1 1 74 74 ASP N N 74 124.500 124.500 120.852 3.648 18978 5171 1 7 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.668 0.242 18978 5172 1 7 . 1 1 74 74 ASP C C 74 174.000 174.000 175.364 -1.364 18978 5173 1 7 . 1 1 74 74 ASP CA C 74 53.450 53.450 54.481 -1.031 18978 5174 1 7 . 1 1 74 74 ASP CB C 74 43.350 43.350 40.770 2.580 18978 5175 1 7 . 1 1 74 74 ASP H H 74 8.290 8.290 8.419 -0.129 18978 5176 1 7 . 1 1 75 75 VAL N N 75 122.400 122.400 124.378 -1.978 18978 5177 1 7 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.319 0.371 18978 5178 1 7 . 1 1 75 75 VAL C C 75 174.600 174.600 175.114 -0.514 18978 5179 1 7 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.540 -0.340 18978 5180 1 7 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.011 0.319 18978 5181 1 7 . 1 1 75 75 VAL H H 75 7.780 7.780 8.337 -0.557 18978 5182 1 7 . 1 1 76 76 LEU N N 76 130.300 130.300 127.980 2.320 18978 5183 1 7 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.688 0.032 18978 5184 1 7 . 1 1 76 76 LEU C C 76 174.400 174.400 176.065 -1.665 18978 5185 1 7 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.165 -0.535 18978 5186 1 7 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.664 1.296 18978 5187 1 7 . 1 1 76 76 LEU H H 76 9.200 9.200 8.459 0.741 18978 5188 1 7 . 1 1 77 77 GLU N N 77 118.600 118.600 122.100 -3.500 18978 5189 1 7 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.505 0.815 18978 5190 1 7 . 1 1 77 77 GLU C C 77 174.900 174.900 175.082 -0.182 18978 5191 1 7 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.817 -1.727 18978 5192 1 7 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.783 2.417 18978 5193 1 7 . 1 1 77 77 GLU H H 77 8.010 8.010 8.561 -0.551 18978 5194 1 7 . 1 1 78 78 ALA N N 78 124.500 124.500 125.533 -1.033 18978 5195 1 7 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.503 0.137 18978 5196 1 7 . 1 1 78 78 ALA C C 78 175.500 175.500 176.726 -1.226 18978 5197 1 7 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.323 -0.643 18978 5198 1 7 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.055 0.755 18978 5199 1 7 . 1 1 78 78 ALA H H 78 8.800 8.800 8.306 0.494 18978 5200 1 7 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.315 0.165 18978 5201 1 7 . 1 1 79 79 LYS C C 79 174.700 174.700 175.552 -0.852 18978 5202 1 7 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.361 -0.261 18978 5203 1 7 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.654 -1.714 18978 5204 1 7 . 1 1 80 80 ILE N N 80 127.300 127.300 125.426 1.874 18978 5205 1 7 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.267 -0.187 18978 5206 1 7 . 1 1 80 80 ILE C C 80 172.700 172.700 174.951 -2.251 18978 5207 1 7 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.348 -0.408 18978 5208 1 7 . 1 1 80 80 ILE CB C 80 40.930 40.930 39.000 1.930 18978 5209 1 7 . 1 1 80 80 ILE H H 80 7.380 7.380 8.490 -1.110 18978 5210 1 7 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.579 -0.299 18978 5211 1 7 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.846 0.274 18978 5212 1 7 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.268 -0.518 18978 5213 1 7 . 1 1 82 82 GLY N N 82 113.000 113.000 112.074 0.926 18978 5214 1 7 . 1 1 82 82 GLY C C 82 174.600 174.600 174.151 0.449 18978 5215 1 7 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.564 2.306 18978 5216 1 7 . 1 1 82 82 GLY H H 82 8.210 8.210 8.774 -0.564 18978 5217 1 7 . 1 1 83 83 ILE N N 83 121.200 121.200 119.073 2.127 18978 5218 1 7 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.875 -0.535 18978 5219 1 7 . 1 1 83 83 ILE C C 83 175.000 175.000 176.426 -1.426 18978 5220 1 7 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.072 2.639 18978 5221 1 7 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.913 -0.423 18978 5222 1 7 . 1 1 83 83 ILE H H 83 8.350 8.350 8.020 0.330 18978 5223 1 7 . 1 1 84 84 LYS N N 84 129.400 129.400 128.375 1.025 18978 5224 1 7 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.334 0.156 18978 5225 1 7 . 1 1 84 84 LYS C C 84 175.000 175.000 176.358 -1.358 18978 5226 1 7 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.246 -1.176 18978 5227 1 7 . 1 1 84 84 LYS CB C 84 34.490 34.490 33.962 0.528 18978 5228 1 7 . 1 1 84 84 LYS H H 84 9.160 9.160 8.652 0.508 18978 5229 1 7 . 1 1 85 85 ASP N N 85 117.500 117.500 116.937 0.563 18978 5230 1 7 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.898 -0.118 18978 5231 1 7 . 1 1 85 85 ASP C C 85 173.200 173.200 173.791 -0.591 18978 5232 1 7 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.858 -0.768 18978 5233 1 7 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.422 -0.932 18978 5234 1 7 . 1 1 85 85 ASP H H 85 7.990 7.990 7.776 0.214 18978 5235 1 7 . 1 1 86 86 VAL N N 86 119.400 119.400 121.079 -1.679 18978 5236 1 7 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.503 0.667 18978 5237 1 7 . 1 1 86 86 VAL C C 86 172.500 172.500 175.000 -2.500 18978 5238 1 7 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.005 -1.254 18978 5239 1 7 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.187 0.973 18978 5240 1 7 . 1 1 86 86 VAL H H 86 8.210 8.210 8.366 -0.156 18978 5241 1 7 . 1 1 87 87 ILE N N 87 127.100 127.100 127.970 -0.870 18978 5242 1 7 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.458 -0.248 18978 5243 1 7 . 1 1 87 87 ILE C C 87 173.600 173.600 174.556 -0.956 18978 5244 1 7 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.218 0.252 18978 5245 1 7 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.519 0.972 18978 5246 1 7 . 1 1 87 87 ILE H H 87 9.190 9.190 8.739 0.451 18978 5247 1 7 . 1 1 88 88 LEU N N 88 125.700 125.700 127.484 -1.784 18978 5248 1 7 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.753 0.287 18978 5249 1 7 . 1 1 88 88 LEU C C 88 174.500 174.500 175.799 -1.299 18978 5250 1 7 . 1 1 88 88 LEU CA C 88 52.940 52.940 53.995 -1.055 18978 5251 1 7 . 1 1 88 88 LEU CB C 88 43.510 43.510 43.879 -0.369 18978 5252 1 7 . 1 1 88 88 LEU H H 88 7.840 7.840 8.474 -0.634 18978 5253 1 7 . 1 1 89 89 ASP N N 89 127.800 127.800 123.453 4.347 18978 5254 1 7 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.907 -0.137 18978 5255 1 7 . 1 1 89 89 ASP C C 89 174.100 174.100 176.892 -2.792 18978 5256 1 7 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.334 0.286 18978 5257 1 7 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.359 -0.289 18978 5258 1 7 . 1 1 89 89 ASP H H 89 8.280 8.280 8.514 -0.234 18978 5259 1 7 . 1 1 90 90 GLU N N 90 122.400 122.400 124.199 -1.799 18978 5260 1 7 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.040 -0.190 18978 5261 1 7 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.163 -0.333 18978 5262 1 7 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.958 -0.548 18978 5263 1 7 . 1 1 90 90 GLU H H 90 8.980 8.980 8.980 0.000 18978 5264 1 7 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.968 -0.688 18978 5265 1 7 . 1 1 91 91 ASN C C 91 173.600 173.600 173.742 -0.142 18978 5266 1 7 . 1 1 91 91 ASN CA C 91 54.160 54.160 53.180 0.980 18978 5267 1 7 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.303 -0.403 18978 5268 1 7 . 1 1 92 92 LEU N N 92 117.400 117.400 119.943 -2.543 18978 5269 1 7 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.733 0.297 18978 5270 1 7 . 1 1 92 92 LEU C C 92 174.700 174.700 174.154 0.546 18978 5271 1 7 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.614 -0.914 18978 5272 1 7 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.120 0.130 18978 5273 1 7 . 1 1 92 92 LEU H H 92 7.110 7.110 7.842 -0.732 18978 5274 1 7 . 1 1 93 93 ILE N N 93 121.300 121.300 121.837 -0.537 18978 5275 1 7 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.509 -0.059 18978 5276 1 7 . 1 1 93 93 ILE C C 93 174.000 174.000 174.348 -0.348 18978 5277 1 7 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.790 0.180 18978 5278 1 7 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.160 0.471 18978 5279 1 7 . 1 1 93 93 ILE H H 93 8.450 8.450 8.462 -0.012 18978 5280 1 7 . 1 1 94 94 VAL N N 94 128.000 128.000 128.044 -0.044 18978 5281 1 7 . 1 1 94 94 VAL HA H 94 4.840 4.840 5.067 -0.227 18978 5282 1 7 . 1 1 94 94 VAL C C 94 174.000 174.000 174.686 -0.686 18978 5283 1 7 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.429 0.671 18978 5284 1 7 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.785 -1.665 18978 5285 1 7 . 1 1 94 94 VAL H H 94 8.970 8.970 8.490 0.480 18978 5286 1 7 . 1 1 95 95 VAL N N 95 127.700 127.700 127.260 0.440 18978 5287 1 7 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.642 0.028 18978 5288 1 7 . 1 1 95 95 VAL C C 95 173.300 173.300 174.589 -1.289 18978 5289 1 7 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.718 0.123 18978 5290 1 7 . 1 1 95 95 VAL CB C 95 34.240 34.240 35.128 -0.888 18978 5291 1 7 . 1 1 95 95 VAL H H 95 9.420 9.420 8.585 0.835 18978 5292 1 7 . 1 1 96 96 ILE N N 96 126.000 126.000 126.546 -0.546 18978 5293 1 7 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.000 0.220 18978 5294 1 7 . 1 1 96 96 ILE C C 96 177.100 177.100 175.646 1.454 18978 5295 1 7 . 1 1 96 96 ILE CA C 96 59.570 59.570 60.040 -0.470 18978 5296 1 7 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.533 0.217 18978 5297 1 7 . 1 1 96 96 ILE H H 96 8.460 8.460 8.696 -0.236 18978 5298 1 7 . 1 1 97 97 THR N N 97 118.100 118.100 117.489 0.611 18978 5299 1 7 . 1 1 97 97 THR HA H 97 5.250 5.250 4.841 0.409 18978 5300 1 7 . 1 1 97 97 THR C C 97 176.300 176.300 175.648 0.652 18978 5301 1 7 . 1 1 97 97 THR CA C 97 59.650 59.650 59.807 -0.157 18978 5302 1 7 . 1 1 97 97 THR CB C 97 71.890 71.890 71.642 0.248 18978 5303 1 7 . 1 1 97 97 THR H H 97 9.050 9.050 8.443 0.607 18978 5304 1 7 . 1 1 98 98 GLU N N 98 120.100 120.100 122.795 -2.695 18978 5305 1 7 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.956 0.164 18978 5306 1 7 . 1 1 98 98 GLU C C 98 176.200 176.200 177.414 -1.214 18978 5307 1 7 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.532 -1.641 18978 5308 1 7 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.696 -0.166 18978 5309 1 7 . 1 1 98 98 GLU H H 98 9.220 9.220 8.291 0.929 18978 5310 1 7 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.307 -0.157 18978 5311 1 7 . 1 1 99 99 GLU C C 99 174.200 174.200 175.587 -1.387 18978 5312 1 7 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.212 1.998 18978 5313 1 7 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.846 1.024 18978 5314 1 7 . 1 1 100 100 ASN N N 100 113.200 113.200 114.230 -1.030 18978 5315 1 7 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.354 -0.244 18978 5316 1 7 . 1 1 100 100 ASN C C 100 173.700 173.700 173.825 -0.125 18978 5317 1 7 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.640 -0.240 18978 5318 1 7 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.262 -0.402 18978 5319 1 7 . 1 1 100 100 ASN H H 100 8.020 8.020 8.279 -0.259 18978 5320 1 7 . 1 1 101 101 GLU N N 101 115.500 115.500 116.838 -1.338 18978 5321 1 7 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.832 0.318 18978 5322 1 7 . 1 1 101 101 GLU C C 101 174.900 174.900 175.251 -0.351 18978 5323 1 7 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.820 -0.770 18978 5324 1 7 . 1 1 101 101 GLU CB C 101 31.400 31.400 32.845 -1.445 18978 5325 1 7 . 1 1 101 101 GLU H H 101 7.230 7.230 7.343 -0.113 18978 5326 1 7 . 1 1 102 102 VAL N N 102 122.700 122.700 121.941 0.759 18978 5327 1 7 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.634 0.286 18978 5328 1 7 . 1 1 102 102 VAL C C 102 173.700 173.700 174.562 -0.862 18978 5329 1 7 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.580 -0.660 18978 5330 1 7 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.361 0.449 18978 5331 1 7 . 1 1 102 102 VAL H H 102 8.710 8.710 8.646 0.064 18978 5332 1 7 . 1 1 103 103 LEU N N 103 127.300 127.300 128.056 -0.756 18978 5333 1 7 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.922 -0.622 18978 5334 1 7 . 1 1 103 103 LEU C C 103 174.500 174.500 175.390 -0.890 18978 5335 1 7 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.651 0.169 18978 5336 1 7 . 1 1 103 103 LEU H H 103 9.140 9.140 8.522 0.618 18978 5337 1 7 . 1 1 104 104 ILE N N 104 122.200 122.200 121.883 0.317 18978 5338 1 7 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.672 0.068 18978 5339 1 7 . 1 1 104 104 ILE C C 104 173.600 173.600 174.556 -0.956 18978 5340 1 7 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.382 -0.162 18978 5341 1 7 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.441 -0.291 18978 5342 1 7 . 1 1 104 104 ILE H H 104 8.470 8.470 8.235 0.235 18978 5343 1 7 . 1 1 105 105 PHE N N 105 126.600 126.600 125.575 1.025 18978 5344 1 7 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.738 -0.168 18978 5345 1 7 . 1 1 105 105 PHE C C 105 175.800 175.800 175.387 0.413 18978 5346 1 7 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.721 -0.271 18978 5347 1 7 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.269 1.401 18978 5348 1 7 . 1 1 105 105 PHE H H 105 9.330 9.330 8.963 0.367 18978 5349 1 7 . 1 1 106 106 ASN N N 106 116.000 116.000 118.424 -2.424 18978 5350 1 7 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.043 0.427 18978 5351 1 7 . 1 1 106 106 ASN C C 106 176.700 176.700 177.146 -0.446 18978 5352 1 7 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.194 -0.694 18978 5353 1 7 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.535 -0.935 18978 5354 1 7 . 1 1 106 106 ASN H H 106 7.710 7.710 8.226 -0.516 18978 5355 1 7 . 1 1 107 107 GLN N N 107 114.500 114.500 119.203 -4.703 18978 5356 1 7 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.103 -0.213 18978 5357 1 7 . 1 1 107 107 GLN C C 107 173.700 173.700 176.573 -2.873 18978 5358 1 7 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.586 -1.076 18978 5359 1 7 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.730 -1.639 18978 5360 1 7 . 1 1 107 107 GLN H H 107 8.040 8.040 8.772 -0.732 18978 5361 1 7 . 1 1 108 108 ASN N N 108 115.800 115.800 115.612 0.188 18978 5362 1 7 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.623 0.047 18978 5363 1 7 . 1 1 108 108 ASN C C 108 173.600 173.600 175.001 -1.401 18978 5364 1 7 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.123 -1.034 18978 5365 1 7 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.616 0.244 18978 5366 1 7 . 1 1 108 108 ASN H H 108 7.440 7.440 8.242 -0.802 18978 5367 1 7 . 1 1 109 109 LEU N N 109 115.200 115.200 119.066 -3.866 18978 5368 1 7 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.854 -0.324 18978 5369 1 7 . 1 1 109 109 LEU C C 109 174.700 174.700 175.072 -0.372 18978 5370 1 7 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.113 -0.343 18978 5371 1 7 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.272 -1.572 18978 5372 1 7 . 1 1 109 109 LEU H H 109 8.220 8.220 7.701 0.519 18978 5373 1 7 . 1 1 110 110 GLU N N 110 117.600 117.600 119.098 -1.498 18978 5374 1 7 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.749 -0.329 18978 5375 1 7 . 1 1 110 110 GLU C C 110 175.800 175.800 176.036 -0.236 18978 5376 1 7 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.521 0.659 18978 5377 1 7 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.728 -2.908 18978 5378 1 7 . 1 1 110 110 GLU H H 110 7.550 7.550 8.297 -0.747 18978 5379 1 7 . 1 1 111 111 GLU N N 111 125.900 125.900 122.119 3.781 18978 5380 1 7 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.187 -0.357 18978 5381 1 7 . 1 1 111 111 GLU C C 111 175.400 175.400 176.124 -0.724 18978 5382 1 7 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.485 -0.845 18978 5383 1 7 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.806 0.814 18978 5384 1 7 . 1 1 111 111 GLU H H 111 8.350 8.350 8.919 -0.569 18978 5385 1 7 . 1 1 112 112 LEU N N 112 128.000 128.000 126.509 1.491 18978 5386 1 7 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.472 -0.202 18978 5387 1 7 . 1 1 112 112 LEU C C 112 176.100 176.100 176.588 -0.488 18978 5388 1 7 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.509 -0.479 18978 5389 1 7 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.022 -1.252 18978 5390 1 7 . 1 1 112 112 LEU H H 112 9.110 9.110 8.250 0.860 18978 5391 1 7 . 1 1 113 113 TYR N N 113 116.300 116.300 119.641 -3.341 18978 5392 1 7 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.664 -0.334 18978 5393 1 7 . 1 1 113 113 TYR C C 113 171.700 171.700 173.043 -1.343 18978 5394 1 7 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.354 0.606 18978 5395 1 7 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.017 -0.297 18978 5396 1 7 . 1 1 113 113 TYR H H 113 7.250 7.250 7.446 -0.196 18978 5397 1 7 . 1 1 114 114 ARG N N 114 126.200 126.200 127.144 -0.944 18978 5398 1 7 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.940 0.080 18978 5399 1 7 . 1 1 114 114 ARG C C 114 173.500 173.500 174.485 -0.985 18978 5400 1 7 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.927 -0.307 18978 5401 1 7 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.452 0.998 18978 5402 1 7 . 1 1 114 114 ARG H H 114 6.560 6.560 8.062 -1.502 18978 5403 1 7 . 1 1 115 115 GLY N N 115 111.300 111.300 112.735 -1.435 18978 5404 1 7 . 1 1 115 115 GLY C C 115 178.100 178.100 171.358 6.742 18978 5405 1 7 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.652 -0.242 18978 5406 1 7 . 1 1 115 115 GLY H H 115 8.320 8.320 8.231 0.089 18978 5407 1 7 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.588 0.182 18978 5408 1 7 . 1 1 116 116 LYS C C 116 174.400 174.400 174.706 -0.306 18978 5409 1 7 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.239 -0.049 18978 5410 1 7 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.882 -0.541 18978 5411 1 7 . 1 1 117 117 PHE N N 117 125.800 125.800 124.397 1.403 18978 5412 1 7 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.858 -0.308 18978 5413 1 7 . 1 1 117 117 PHE C C 117 174.000 174.000 176.325 -2.325 18978 5414 1 7 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.001 -0.151 18978 5415 1 7 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.833 0.327 18978 5416 1 7 . 1 1 117 117 PHE H H 117 8.090 8.090 8.586 -0.496 18978 5417 1 7 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.877 -0.217 18978 5418 1 7 . 1 1 119 119 ASN C C 119 173.500 173.500 174.005 -0.505 18978 5419 1 7 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.389 0.090 18978 5420 1 7 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.263 -0.073 18978 5421 1 7 . 1 1 120 120 LEU N N 120 120.200 120.200 122.065 -1.865 18978 5422 1 7 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.026 -0.196 18978 5423 1 7 . 1 1 120 120 LEU C C 120 175.000 175.000 176.241 -1.241 18978 5424 1 7 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.272 -0.002 18978 5425 1 7 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.916 0.854 18978 5426 1 7 . 1 1 120 120 LEU H H 120 6.900 6.900 7.574 -0.674 18978 5427 1 7 . 1 1 121 121 ASN N N 121 124.200 124.200 124.847 -0.647 18978 5428 1 7 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.880 0.010 18978 5429 1 7 . 1 1 121 121 ASN C C 121 174.300 174.300 175.315 -1.015 18978 5430 1 7 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.047 -0.167 18978 5431 1 7 . 1 1 121 121 ASN CB C 121 40.440 40.440 41.049 -0.609 18978 5432 1 7 . 1 1 121 121 ASN H H 121 8.900 8.900 8.570 0.330 18978 5433 1 7 . 1 1 122 122 LYS N N 122 115.100 115.100 118.984 -3.884 18978 5434 1 7 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.616 -0.146 18978 5435 1 7 . 1 1 122 122 LYS C C 122 172.500 172.500 174.048 -1.548 18978 5436 1 7 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.549 0.151 18978 5437 1 7 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.842 -1.181 18978 5438 1 7 . 1 1 122 122 LYS H H 122 7.410 7.410 7.747 -0.337 18978 5439 1 7 . 1 1 123 123 VAL N N 123 121.500 121.500 121.351 0.149 18978 5440 1 7 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.451 0.369 18978 5441 1 7 . 1 1 123 123 VAL C C 123 173.400 173.400 175.109 -1.709 18978 5442 1 7 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.328 -0.638 18978 5443 1 7 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.621 0.529 18978 5444 1 7 . 1 1 123 123 VAL H H 123 7.730 7.730 8.359 -0.629 18978 5445 1 7 . 1 1 124 124 LEU N N 124 126.600 126.600 130.141 -3.541 18978 5446 1 7 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.804 -0.084 18978 5447 1 7 . 1 1 124 124 LEU C C 124 174.200 174.200 175.099 -0.899 18978 5448 1 7 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.267 -0.887 18978 5449 1 7 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.096 0.014 18978 5450 1 7 . 1 1 124 124 LEU H H 124 9.060 9.060 8.589 0.471 18978 5451 1 7 . 1 1 125 125 VAL N N 125 120.300 120.300 121.212 -0.912 18978 5452 1 7 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.475 0.195 18978 5453 1 7 . 1 1 125 125 VAL C C 125 174.700 174.700 175.410 -0.710 18978 5454 1 7 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.414 -1.124 18978 5455 1 7 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.249 0.001 18978 5456 1 7 . 1 1 125 125 VAL H H 125 8.030 8.030 8.386 -0.356 18978 5457 1 7 . 1 1 126 126 ARG N N 126 127.100 127.100 127.108 -0.008 18978 5458 1 7 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.763 -0.293 18978 5459 1 7 . 1 1 126 126 ARG C C 126 174.400 174.400 175.385 -0.985 18978 5460 1 7 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.679 2.151 18978 5461 1 7 . 1 1 126 126 ARG CB C 126 31.300 31.300 31.204 0.095 18978 5462 1 7 . 1 1 126 126 ARG H H 126 8.630 8.630 8.498 0.132 18978 5463 1 7 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.348 -0.058 18978 5464 1 7 . 1 1 127 127 ASN C C 127 172.600 172.600 175.466 -2.866 18978 5465 1 7 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.456 -0.396 18978 5466 1 7 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.566 -0.616 18978 5467 1 7 . 1 1 128 128 ASP N N 128 117.600 117.600 121.469 -3.869 18978 5468 1 7 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.625 -0.175 18978 5469 1 7 . 1 1 128 128 ASP C C 128 174.000 174.000 175.512 -1.512 18978 5470 1 7 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.930 -0.410 18978 5471 1 7 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.751 -1.941 18978 5472 1 7 . 1 1 128 128 ASP H H 128 8.560 8.560 8.288 0.272 18978 5473 1 7 . 1 1 129 129 LEU N N 129 121.500 121.500 120.355 1.145 18978 5474 1 7 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.661 0.409 18978 5475 1 7 . 1 1 129 129 LEU C C 129 174.800 174.800 174.793 0.007 18978 5476 1 7 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.224 -0.424 18978 5477 1 7 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.457 0.663 18978 5478 1 7 . 1 1 129 129 LEU H H 129 7.730 7.730 7.884 -0.154 18978 5479 1 7 . 1 1 130 130 VAL N N 130 120.600 120.600 121.365 -0.765 18978 5480 1 7 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.694 0.016 18978 5481 1 7 . 1 1 130 130 VAL C C 130 173.500 173.500 173.606 -0.106 18978 5482 1 7 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.659 0.861 18978 5483 1 7 . 1 1 130 130 VAL CB C 130 33.750 33.750 35.046 -1.296 18978 5484 1 7 . 1 1 130 130 VAL H H 130 8.410 8.410 7.907 0.503 18978 5485 1 7 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.779 -0.179 18978 5486 1 7 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.476 0.114 18978 5487 1 7 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.535 -1.675 18978 5488 1 7 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.362 -0.062 18978 5489 1 7 . 1 1 132 132 ILE C C 132 174.900 174.900 174.423 0.477 18978 5490 1 7 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.272 0.208 18978 5491 1 7 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.401 -0.351 18978 5492 1 7 . 1 1 133 133 ILE N N 133 126.200 126.200 127.027 -0.827 18978 5493 1 7 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.421 0.249 18978 5494 1 7 . 1 1 133 133 ILE C C 133 174.200 174.200 174.084 0.116 18978 5495 1 7 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.565 1.365 18978 5496 1 7 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.809 1.311 18978 5497 1 7 . 1 1 133 133 ILE H H 133 8.490 8.490 8.575 -0.085 18978 5498 1 7 . 1 1 134 134 ASP N N 134 130.100 130.100 125.470 4.630 18978 5499 1 7 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.184 -0.234 18978 5500 1 7 . 1 1 134 134 ASP C C 134 174.600 174.600 176.575 -1.975 18978 5501 1 7 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.110 0.280 18978 5502 1 7 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.881 -0.511 18978 5503 1 7 . 1 1 134 134 ASP H H 134 8.360 8.360 8.129 0.231 18978 5504 1 7 . 1 1 135 135 GLU N N 135 118.000 118.000 121.531 -3.531 18978 5505 1 7 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.891 0.319 18978 5506 1 7 . 1 1 135 135 GLU C C 135 176.200 176.200 177.357 -1.157 18978 5507 1 7 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.177 -0.427 18978 5508 1 7 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.765 0.525 18978 5509 1 7 . 1 1 135 135 GLU H H 135 7.840 7.840 8.574 -0.734 18978 5510 1 7 . 1 1 136 136 GLN N N 136 115.200 115.200 116.889 -1.689 18978 5511 1 7 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.224 0.646 18978 5512 1 7 . 1 1 136 136 GLN C C 136 174.900 174.900 175.642 -0.742 18978 5513 1 7 . 1 1 136 136 GLN CA C 136 55.500 55.500 57.032 -1.532 18978 5514 1 7 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.854 1.076 18978 5515 1 7 . 1 1 136 136 GLN H H 136 8.860 8.860 8.278 0.582 18978 5516 1 7 . 1 1 137 137 LYS N N 137 118.100 118.100 114.204 3.896 18978 5517 1 7 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.480 0.430 18978 5518 1 7 . 1 1 137 137 LYS C C 137 172.400 172.400 173.612 -1.212 18978 5519 1 7 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.219 0.681 18978 5520 1 7 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.764 0.776 18978 5521 1 7 . 1 1 137 137 LYS H H 137 8.260 8.260 8.069 0.191 18978 5522 1 7 . 1 1 138 138 LEU N N 138 123.500 123.500 122.107 1.393 18978 5523 1 7 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.755 0.105 18978 5524 1 7 . 1 1 138 138 LEU C C 138 174.400 174.400 175.996 -1.596 18978 5525 1 7 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.712 -0.202 18978 5526 1 7 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.499 0.461 18978 5527 1 7 . 1 1 138 138 LEU H H 138 8.410 8.410 8.454 -0.044 18978 5528 1 7 . 1 1 139 139 THR N N 139 123.600 123.600 123.434 0.166 18978 5529 1 7 . 1 1 139 139 THR HA H 139 4.830 4.830 4.614 0.216 18978 5530 1 7 . 1 1 139 139 THR C C 139 171.400 171.400 172.564 -1.164 18978 5531 1 7 . 1 1 139 139 THR CA C 139 62.240 62.240 62.175 0.065 18978 5532 1 7 . 1 1 139 139 THR CB C 139 70.120 70.120 70.067 0.053 18978 5533 1 7 . 1 1 139 139 THR H H 139 8.820 8.820 8.397 0.423 18978 5534 1 7 . 1 1 140 140 LEU N N 140 130.500 130.500 129.157 1.343 18978 5535 1 7 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.601 0.429 18978 5536 1 7 . 1 1 140 140 LEU C C 140 173.700 173.700 175.241 -1.541 18978 5537 1 7 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.441 -1.061 18978 5538 1 7 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.026 0.864 18978 5539 1 7 . 1 1 140 140 LEU H H 140 9.250 9.250 8.638 0.612 18978 5540 1 7 . 1 1 141 141 ILE N N 141 127.300 127.300 128.452 -1.152 18978 5541 1 7 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.359 0.301 18978 5542 1 7 . 1 1 141 141 ILE C C 141 174.200 174.200 174.432 -0.232 18978 5543 1 7 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.522 -1.012 18978 5544 1 7 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.872 -1.022 18978 5545 1 7 . 1 1 141 141 ILE H H 141 9.140 9.140 8.480 0.660 18978 5546 1 7 . 1 1 142 142 ARG N N 142 126.500 126.500 127.158 -0.658 18978 5547 1 7 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.598 0.282 18978 5548 1 7 . 1 1 142 142 ARG C C 142 175.100 175.100 175.806 -0.706 18978 5549 1 7 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.306 -0.765 18978 5550 1 7 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.035 -0.535 18978 5551 1 7 . 1 1 142 142 ARG H H 142 8.550 8.550 8.710 -0.160 18978 5552 1 8 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.669 -1.669 18978 5553 1 8 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 45.109 0.041 18978 5554 1 8 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.158 0.232 18978 5555 1 8 . 1 1 -1 -1 VAL N N -1 119.730 119.730 124.865 -5.135 18978 5556 1 8 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.303 -0.263 18978 5557 1 8 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.285 0.595 18978 5558 1 8 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.195 0.915 18978 5559 1 8 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 34.971 -2.211 18978 5560 1 8 . 1 1 -1 -1 VAL H H -1 7.870 7.870 7.972 -0.102 18978 5561 1 8 . 1 1 0 0 ILE N N 0 125.570 125.570 124.989 0.581 18978 5562 1 8 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.449 -0.359 18978 5563 1 8 . 1 1 0 0 ILE C C 0 175.850 175.850 175.787 0.063 18978 5564 1 8 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.109 0.691 18978 5565 1 8 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.296 0.174 18978 5566 1 8 . 1 1 0 0 ILE H H 0 8.230 8.230 8.229 0.001 18978 5567 1 8 . 1 1 1 1 MET N N 1 125.930 125.930 125.228 0.702 18978 5568 1 8 . 1 1 1 1 MET HA H 1 4.540 4.540 4.759 -0.219 18978 5569 1 8 . 1 1 1 1 MET C C 1 174.830 174.830 175.684 -0.854 18978 5570 1 8 . 1 1 1 1 MET CA C 1 54.790 54.790 55.379 -0.589 18978 5571 1 8 . 1 1 1 1 MET CB C 1 32.640 32.640 33.432 -0.792 18978 5572 1 8 . 1 1 1 1 MET H H 1 8.370 8.370 8.401 -0.031 18978 5573 1 8 . 1 1 2 2 SER N N 2 116.400 116.400 117.192 -0.792 18978 5574 1 8 . 1 1 2 2 SER HA H 2 5.030 5.030 5.164 -0.134 18978 5575 1 8 . 1 1 2 2 SER C C 2 174.330 174.330 173.686 0.644 18978 5576 1 8 . 1 1 2 2 SER CA C 2 57.320 57.320 57.008 0.312 18978 5577 1 8 . 1 1 2 2 SER CB C 2 64.790 64.790 66.332 -1.542 18978 5578 1 8 . 1 1 2 2 SER H H 2 7.990 7.990 8.411 -0.421 18978 5579 1 8 . 1 1 3 3 GLU N N 3 123.670 123.670 122.495 1.175 18978 5580 1 8 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.403 -0.153 18978 5581 1 8 . 1 1 3 3 GLU C C 3 172.980 172.980 174.362 -1.382 18978 5582 1 8 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.620 -0.230 18978 5583 1 8 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.576 -0.666 18978 5584 1 8 . 1 1 3 3 GLU H H 3 9.430 9.430 8.643 0.787 18978 5585 1 8 . 1 1 4 4 LEU N N 4 125.350 125.350 124.653 0.697 18978 5586 1 8 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.898 -0.028 18978 5587 1 8 . 1 1 4 4 LEU C C 4 174.000 174.000 174.483 -0.483 18978 5588 1 8 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.673 -0.653 18978 5589 1 8 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.694 0.346 18978 5590 1 8 . 1 1 4 4 LEU H H 4 8.930 8.930 8.551 0.379 18978 5591 1 8 . 1 1 5 5 LYS N N 5 124.640 124.640 126.091 -1.451 18978 5592 1 8 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.976 0.384 18978 5593 1 8 . 1 1 5 5 LYS C C 5 175.660 175.660 175.409 0.251 18978 5594 1 8 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.264 -0.324 18978 5595 1 8 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.033 0.247 18978 5596 1 8 . 1 1 5 5 LYS H H 5 8.840 8.840 8.389 0.451 18978 5597 1 8 . 1 1 6 6 LEU N N 6 123.460 123.460 125.145 -1.685 18978 5598 1 8 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.171 0.259 18978 5599 1 8 . 1 1 6 6 LEU C C 6 174.630 174.630 175.293 -0.663 18978 5600 1 8 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.526 -0.626 18978 5601 1 8 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.387 1.523 18978 5602 1 8 . 1 1 6 6 LEU H H 6 8.820 8.820 8.332 0.488 18978 5603 1 8 . 1 1 7 7 LYS N N 7 122.230 122.230 121.626 0.604 18978 5604 1 8 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.056 0.434 18978 5605 1 8 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.933 -0.663 18978 5606 1 8 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.024 0.476 18978 5607 1 8 . 1 1 7 7 LYS H H 7 9.110 9.110 8.486 0.624 18978 5608 1 8 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.584 -0.484 18978 5609 1 8 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.286 0.154 18978 5610 1 8 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.809 -2.169 18978 5611 1 8 . 1 1 9 9 LEU N N 9 123.250 123.250 121.635 1.615 18978 5612 1 8 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.438 -0.118 18978 5613 1 8 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.517 1.163 18978 5614 1 8 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.111 -1.351 18978 5615 1 8 . 1 1 9 9 LEU H H 9 8.490 8.490 7.937 0.553 18978 5616 1 8 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.455 0.075 18978 5617 1 8 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.141 0.739 18978 5618 1 8 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.122 -0.702 18978 5619 1 8 . 1 1 11 11 LYS N N 11 119.160 119.160 121.700 -2.540 18978 5620 1 8 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.221 -0.111 18978 5621 1 8 . 1 1 11 11 LYS C C 11 175.680 175.680 175.577 0.103 18978 5622 1 8 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.473 -0.263 18978 5623 1 8 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.890 -1.230 18978 5624 1 8 . 1 1 11 11 LYS H H 11 8.180 8.180 8.304 -0.124 18978 5625 1 8 . 1 1 12 12 VAL N N 12 121.820 121.820 123.293 -1.473 18978 5626 1 8 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.186 0.094 18978 5627 1 8 . 1 1 12 12 VAL C C 12 173.690 173.690 174.490 -0.800 18978 5628 1 8 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.974 -1.144 18978 5629 1 8 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.556 -0.006 18978 5630 1 8 . 1 1 12 12 VAL H H 12 7.530 7.530 8.396 -0.866 18978 5631 1 8 . 1 1 13 13 GLU N N 13 125.610 125.610 126.431 -0.821 18978 5632 1 8 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.671 -0.341 18978 5633 1 8 . 1 1 13 13 GLU C C 13 175.390 175.390 175.099 0.291 18978 5634 1 8 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.582 -0.362 18978 5635 1 8 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.288 -0.318 18978 5636 1 8 . 1 1 13 13 GLU H H 13 8.270 8.270 8.515 -0.245 18978 5637 1 8 . 1 1 14 14 LEU N N 14 125.880 125.880 128.041 -2.161 18978 5638 1 8 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.579 -0.059 18978 5639 1 8 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.043 -0.383 18978 5640 1 8 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.990 -0.240 18978 5641 1 8 . 1 1 14 14 LEU H H 14 8.480 8.480 8.346 0.134 18978 5642 1 8 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.701 0.059 18978 5643 1 8 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.811 -0.481 18978 5644 1 8 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.469 -0.409 18978 5645 1 8 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.247 0.143 18978 5646 1 8 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.073 -0.522 18978 5647 1 8 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.813 -0.043 18978 5648 1 8 . 1 1 17 17 ASP N N 17 115.820 115.820 116.696 -0.876 18978 5649 1 8 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.547 0.073 18978 5650 1 8 . 1 1 17 17 ASP C C 17 177.100 177.100 177.600 -0.500 18978 5651 1 8 . 1 1 17 17 ASP CA C 17 53.890 53.890 55.039 -1.149 18978 5652 1 8 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.339 -0.219 18978 5653 1 8 . 1 1 17 17 ASP H H 17 8.560 8.560 8.772 -0.212 18978 5654 1 8 . 1 1 18 18 PHE N N 18 119.610 119.610 121.633 -2.023 18978 5655 1 8 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.120 0.060 18978 5656 1 8 . 1 1 18 18 PHE C C 18 176.740 176.740 176.636 0.104 18978 5657 1 8 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.833 -0.813 18978 5658 1 8 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.284 -0.054 18978 5659 1 8 . 1 1 18 18 PHE H H 18 7.940 7.940 7.761 0.179 18978 5660 1 8 . 1 1 19 19 VAL N N 19 116.370 116.370 118.260 -1.890 18978 5661 1 8 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.551 -0.201 18978 5662 1 8 . 1 1 19 19 VAL C C 19 176.400 176.400 177.580 -1.180 18978 5663 1 8 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.154 -0.644 18978 5664 1 8 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.450 -0.430 18978 5665 1 8 . 1 1 19 19 VAL H H 19 8.010 8.010 8.019 -0.009 18978 5666 1 8 . 1 1 20 20 ASP N N 20 119.190 119.190 119.105 0.085 18978 5667 1 8 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.352 -0.042 18978 5668 1 8 . 1 1 20 20 ASP C C 20 178.360 178.360 178.493 -0.133 18978 5669 1 8 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.491 -0.381 18978 5670 1 8 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.733 -0.282 18978 5671 1 8 . 1 1 20 20 ASP H H 20 7.420 7.420 7.552 -0.132 18978 5672 1 8 . 1 1 21 21 VAL N N 21 119.830 119.830 120.067 -0.237 18978 5673 1 8 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.517 -0.007 18978 5674 1 8 . 1 1 21 21 VAL C C 21 178.100 178.100 177.934 0.166 18978 5675 1 8 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.327 -0.757 18978 5676 1 8 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.592 -0.182 18978 5677 1 8 . 1 1 21 21 VAL H H 21 7.190 7.190 7.294 -0.104 18978 5678 1 8 . 1 1 22 22 ILE N N 22 118.490 118.490 118.957 -0.467 18978 5679 1 8 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.458 -0.288 18978 5680 1 8 . 1 1 22 22 ILE C C 22 176.660 176.660 177.988 -1.328 18978 5681 1 8 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.475 1.745 18978 5682 1 8 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.137 1.363 18978 5683 1 8 . 1 1 22 22 ILE H H 22 7.660 7.660 7.514 0.146 18978 5684 1 8 . 1 1 23 23 ARG N N 23 118.260 118.260 120.535 -2.275 18978 5685 1 8 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.930 -0.550 18978 5686 1 8 . 1 1 23 23 ARG C C 23 178.060 178.060 178.852 -0.792 18978 5687 1 8 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.002 0.568 18978 5688 1 8 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.127 -0.057 18978 5689 1 8 . 1 1 23 23 ARG H H 23 7.830 7.830 7.734 0.096 18978 5690 1 8 . 1 1 24 24 ILE N N 24 116.750 116.750 118.862 -2.112 18978 5691 1 8 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.747 -0.027 18978 5692 1 8 . 1 1 24 24 ILE C C 24 179.090 179.090 177.739 1.351 18978 5693 1 8 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.640 -0.580 18978 5694 1 8 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.909 0.121 18978 5695 1 8 . 1 1 24 24 ILE H H 24 7.350 7.350 7.701 -0.351 18978 5696 1 8 . 1 1 25 25 LYS N N 25 118.700 118.700 118.825 -0.125 18978 5697 1 8 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.036 0.054 18978 5698 1 8 . 1 1 25 25 LYS C C 25 178.560 178.560 178.552 0.008 18978 5699 1 8 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.382 -1.732 18978 5700 1 8 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.623 -0.533 18978 5701 1 8 . 1 1 25 25 LYS H H 25 7.880 7.880 7.674 0.206 18978 5702 1 8 . 1 1 26 26 LEU N N 26 116.380 116.380 119.410 -3.030 18978 5703 1 8 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.116 0.114 18978 5704 1 8 . 1 1 26 26 LEU C C 26 175.880 175.880 177.151 -1.271 18978 5705 1 8 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.912 -1.822 18978 5706 1 8 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.461 0.849 18978 5707 1 8 . 1 1 26 26 LEU H H 26 7.860 7.860 7.792 0.068 18978 5708 1 8 . 1 1 27 27 GLN N N 27 119.210 119.210 117.308 1.902 18978 5709 1 8 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.835 -0.305 18978 5710 1 8 . 1 1 27 27 GLN C C 27 177.480 177.480 177.152 0.328 18978 5711 1 8 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.413 0.957 18978 5712 1 8 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.762 -0.462 18978 5713 1 8 . 1 1 27 27 GLN H H 27 7.190 7.190 7.577 -0.387 18978 5714 1 8 . 1 1 28 28 GLY N N 28 113.490 113.490 113.546 -0.056 18978 5715 1 8 . 1 1 28 28 GLY C C 28 174.070 174.070 174.398 -0.328 18978 5716 1 8 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.942 0.338 18978 5717 1 8 . 1 1 28 28 GLY H H 28 8.940 8.940 8.612 0.328 18978 5718 1 8 . 1 1 29 29 LYS N N 29 122.060 122.060 122.280 -0.220 18978 5719 1 8 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.602 -0.202 18978 5720 1 8 . 1 1 29 29 LYS C C 29 175.560 175.560 175.663 -0.103 18978 5721 1 8 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.266 0.394 18978 5722 1 8 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.029 -1.159 18978 5723 1 8 . 1 1 29 29 LYS H H 29 8.350 8.350 7.849 0.501 18978 5724 1 8 . 1 1 30 30 THR N N 30 118.150 118.150 117.011 1.139 18978 5725 1 8 . 1 1 30 30 THR HA H 30 5.330 5.330 5.033 0.297 18978 5726 1 8 . 1 1 30 30 THR C C 30 174.860 174.860 174.585 0.275 18978 5727 1 8 . 1 1 30 30 THR CA C 30 62.040 62.040 61.457 0.583 18978 5728 1 8 . 1 1 30 30 THR CB C 30 69.420 69.420 70.333 -0.913 18978 5729 1 8 . 1 1 30 30 THR H H 30 8.410 8.410 8.366 0.044 18978 5730 1 8 . 1 1 31 31 VAL N N 31 122.510 122.510 120.983 1.527 18978 5731 1 8 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.589 -0.019 18978 5732 1 8 . 1 1 31 31 VAL C C 31 172.970 172.970 173.488 -0.518 18978 5733 1 8 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.047 -0.597 18978 5734 1 8 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.700 1.180 18978 5735 1 8 . 1 1 31 31 VAL H H 31 9.140 9.140 8.881 0.259 18978 5736 1 8 . 1 1 32 32 ARG N N 32 120.640 120.640 120.416 0.224 18978 5737 1 8 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.818 -0.068 18978 5738 1 8 . 1 1 32 32 ARG C C 32 175.650 175.650 175.365 0.285 18978 5739 1 8 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.446 -0.796 18978 5740 1 8 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.787 -0.917 18978 5741 1 8 . 1 1 32 32 ARG H H 32 8.420 8.420 8.815 -0.395 18978 5742 1 8 . 1 1 33 33 THR N N 33 118.590 118.590 116.884 1.706 18978 5743 1 8 . 1 1 33 33 THR HA H 33 3.410 3.410 3.885 -0.475 18978 5744 1 8 . 1 1 33 33 THR C C 33 175.020 175.020 175.964 -0.944 18978 5745 1 8 . 1 1 33 33 THR CA C 33 65.660 65.660 64.733 0.928 18978 5746 1 8 . 1 1 33 33 THR CB C 33 69.400 69.400 68.571 0.829 18978 5747 1 8 . 1 1 33 33 THR H H 33 8.370 8.370 8.492 -0.122 18978 5748 1 8 . 1 1 34 34 GLY N N 34 117.350 117.350 115.779 1.571 18978 5749 1 8 . 1 1 34 34 GLY C C 34 174.350 174.350 174.367 -0.017 18978 5750 1 8 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.874 0.126 18978 5751 1 8 . 1 1 34 34 GLY H H 34 9.090 9.090 8.529 0.561 18978 5752 1 8 . 1 1 35 35 ASP N N 35 122.240 122.240 123.519 -1.279 18978 5753 1 8 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.686 -0.216 18978 5754 1 8 . 1 1 35 35 ASP C C 35 174.570 174.570 175.173 -0.603 18978 5755 1 8 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.161 0.409 18978 5756 1 8 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.794 -0.114 18978 5757 1 8 . 1 1 35 35 ASP H H 35 8.010 8.010 7.805 0.205 18978 5758 1 8 . 1 1 36 36 VAL N N 36 119.860 119.860 121.021 -1.161 18978 5759 1 8 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.810 0.140 18978 5760 1 8 . 1 1 36 36 VAL C C 36 176.330 176.330 175.923 0.407 18978 5761 1 8 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.127 0.583 18978 5762 1 8 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.767 -0.867 18978 5763 1 8 . 1 1 36 36 VAL H H 36 8.330 8.330 8.351 -0.021 18978 5764 1 8 . 1 1 37 37 ILE N N 37 124.990 124.990 127.564 -2.574 18978 5765 1 8 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.506 0.124 18978 5766 1 8 . 1 1 37 37 ILE C C 37 174.400 174.400 174.913 -0.513 18978 5767 1 8 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.484 -1.494 18978 5768 1 8 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.207 0.603 18978 5769 1 8 . 1 1 37 37 ILE H H 37 9.160 9.160 8.735 0.425 18978 5770 1 8 . 1 1 38 38 GLY N N 38 112.060 112.060 112.808 -0.748 18978 5771 1 8 . 1 1 38 38 GLY C C 38 172.920 172.920 173.736 -0.816 18978 5772 1 8 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.379 0.201 18978 5773 1 8 . 1 1 38 38 GLY H H 38 8.660 8.660 8.470 0.190 18978 5774 1 8 . 1 1 39 39 ILE N N 39 123.220 123.220 125.056 -1.836 18978 5775 1 8 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.421 -0.051 18978 5776 1 8 . 1 1 39 39 ILE C C 39 174.500 174.500 175.115 -0.615 18978 5777 1 8 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.623 -1.073 18978 5778 1 8 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.932 -0.632 18978 5779 1 8 . 1 1 39 39 ILE H H 39 8.810 8.810 8.449 0.361 18978 5780 1 8 . 1 1 40 40 SER N N 40 121.430 121.430 121.043 0.387 18978 5781 1 8 . 1 1 40 40 SER HA H 40 4.830 4.830 4.989 -0.159 18978 5782 1 8 . 1 1 40 40 SER C C 40 174.130 174.130 174.083 0.047 18978 5783 1 8 . 1 1 40 40 SER CA C 40 57.770 57.770 57.709 0.061 18978 5784 1 8 . 1 1 40 40 SER CB C 40 63.040 63.040 63.623 -0.583 18978 5785 1 8 . 1 1 40 40 SER H H 40 8.540 8.540 8.647 -0.107 18978 5786 1 8 . 1 1 41 41 ILE N N 41 127.060 127.060 127.974 -0.914 18978 5787 1 8 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.442 -0.152 18978 5788 1 8 . 1 1 41 41 ILE C C 41 175.280 175.280 175.826 -0.546 18978 5789 1 8 . 1 1 41 41 ILE CA C 41 60.250 60.250 61.058 -0.808 18978 5790 1 8 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.598 -0.758 18978 5791 1 8 . 1 1 41 41 ILE H H 41 8.930 8.930 8.600 0.330 18978 5792 1 8 . 1 1 42 42 LEU N N 42 126.770 126.770 127.010 -0.240 18978 5793 1 8 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.964 -0.074 18978 5794 1 8 . 1 1 42 42 LEU C C 42 177.130 177.130 177.160 -0.030 18978 5795 1 8 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.426 0.134 18978 5796 1 8 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.253 -0.883 18978 5797 1 8 . 1 1 42 42 LEU H H 42 9.380 9.380 9.119 0.261 18978 5798 1 8 . 1 1 43 43 GLY N N 43 103.820 103.820 104.367 -0.547 18978 5799 1 8 . 1 1 43 43 GLY C C 43 173.690 173.690 173.791 -0.101 18978 5800 1 8 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.202 0.139 18978 5801 1 8 . 1 1 43 43 GLY H H 43 8.310 8.310 8.801 -0.491 18978 5802 1 8 . 1 1 44 44 LYS N N 44 121.160 121.160 119.972 1.188 18978 5803 1 8 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.546 0.014 18978 5804 1 8 . 1 1 44 44 LYS C C 44 174.550 174.550 174.938 -0.388 18978 5805 1 8 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.150 -1.010 18978 5806 1 8 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.356 -0.737 18978 5807 1 8 . 1 1 44 44 LYS H H 44 7.730 7.730 7.663 0.067 18978 5808 1 8 . 1 1 45 45 GLU N N 45 124.090 124.090 125.954 -1.864 18978 5809 1 8 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.433 -0.153 18978 5810 1 8 . 1 1 45 45 GLU C C 45 175.730 175.730 175.500 0.230 18978 5811 1 8 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.331 0.399 18978 5812 1 8 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.546 -0.476 18978 5813 1 8 . 1 1 45 45 GLU H H 45 8.490 8.490 8.651 -0.161 18978 5814 1 8 . 1 1 46 46 VAL N N 46 129.960 129.960 127.739 2.221 18978 5815 1 8 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.351 -0.321 18978 5816 1 8 . 1 1 46 46 VAL C C 46 174.610 174.610 173.740 0.870 18978 5817 1 8 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.821 1.859 18978 5818 1 8 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.619 -0.739 18978 5819 1 8 . 1 1 46 46 VAL H H 46 8.920 8.920 8.554 0.366 18978 5820 1 8 . 1 1 47 47 LYS N N 47 124.790 124.790 128.236 -3.446 18978 5821 1 8 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.815 0.305 18978 5822 1 8 . 1 1 47 47 LYS C C 47 175.380 175.380 175.438 -0.058 18978 5823 1 8 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.364 -0.164 18978 5824 1 8 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.654 1.016 18978 5825 1 8 . 1 1 47 47 LYS H H 47 7.860 7.860 8.440 -0.580 18978 5826 1 8 . 1 1 48 48 PHE N N 48 118.270 118.270 123.932 -5.662 18978 5827 1 8 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.878 0.082 18978 5828 1 8 . 1 1 48 48 PHE C C 48 173.950 173.950 174.684 -0.734 18978 5829 1 8 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.065 -1.155 18978 5830 1 8 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.835 1.115 18978 5831 1 8 . 1 1 48 48 PHE H H 48 9.270 9.270 8.888 0.382 18978 5832 1 8 . 1 1 49 49 LYS N N 49 121.960 121.960 123.304 -1.344 18978 5833 1 8 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.873 0.037 18978 5834 1 8 . 1 1 49 49 LYS C C 49 176.230 176.230 175.487 0.743 18978 5835 1 8 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.632 -0.722 18978 5836 1 8 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.098 -0.928 18978 5837 1 8 . 1 1 49 49 LYS H H 49 9.170 9.170 8.645 0.525 18978 5838 1 8 . 1 1 50 50 VAL N N 50 127.140 127.140 127.121 0.019 18978 5839 1 8 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.085 0.085 18978 5840 1 8 . 1 1 50 50 VAL C C 50 175.500 175.500 176.533 -1.033 18978 5841 1 8 . 1 1 50 50 VAL CA C 50 61.980 61.980 62.764 -0.784 18978 5842 1 8 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.078 -0.588 18978 5843 1 8 . 1 1 50 50 VAL H H 50 9.400 9.400 8.274 1.126 18978 5844 1 8 . 1 1 51 51 VAL N N 51 132.840 132.840 128.882 3.958 18978 5845 1 8 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.879 -0.229 18978 5846 1 8 . 1 1 51 51 VAL C C 51 176.440 176.440 176.317 0.123 18978 5847 1 8 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.344 -0.414 18978 5848 1 8 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.285 -0.155 18978 5849 1 8 . 1 1 51 51 VAL H H 51 8.390 8.390 8.306 0.084 18978 5850 1 8 . 1 1 52 52 GLN N N 52 114.500 114.500 114.159 0.341 18978 5851 1 8 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.577 -0.307 18978 5852 1 8 . 1 1 52 52 GLN C C 52 172.290 172.290 173.527 -1.237 18978 5853 1 8 . 1 1 52 52 GLN CA C 52 56.640 56.640 54.978 1.662 18978 5854 1 8 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.871 -1.241 18978 5855 1 8 . 1 1 52 52 GLN H H 52 7.470 7.470 7.515 -0.045 18978 5856 1 8 . 1 1 53 53 ALA N N 53 131.410 131.410 123.898 7.512 18978 5857 1 8 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.914 -0.084 18978 5858 1 8 . 1 1 53 53 ALA C C 53 174.270 174.270 175.453 -1.183 18978 5859 1 8 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.815 -0.014 18978 5860 1 8 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.214 -2.114 18978 5861 1 8 . 1 1 53 53 ALA H H 53 8.200 8.200 8.302 -0.102 18978 5862 1 8 . 1 1 54 54 TYR N N 54 124.140 124.140 124.368 -0.228 18978 5863 1 8 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.992 -0.452 18978 5864 1 8 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.745 -1.475 18978 5865 1 8 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.146 -0.786 18978 5866 1 8 . 1 1 54 54 TYR H H 54 8.860 8.860 8.549 0.311 18978 5867 1 8 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.318 -0.198 18978 5868 1 8 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.209 1.241 18978 5869 1 8 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.042 1.128 18978 5870 1 8 . 1 1 56 56 SER N N 56 106.200 106.200 114.093 -7.893 18978 5871 1 8 . 1 1 56 56 SER HA H 56 4.720 4.720 4.718 0.002 18978 5872 1 8 . 1 1 56 56 SER CA C 56 54.250 54.250 56.191 -1.941 18978 5873 1 8 . 1 1 56 56 SER CB C 56 64.530 64.530 63.790 0.740 18978 5874 1 8 . 1 1 56 56 SER H H 56 7.380 7.380 8.108 -0.728 18978 5875 1 8 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.406 0.474 18978 5876 1 8 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.938 0.052 18978 5877 1 8 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.568 2.652 18978 5878 1 8 . 1 1 58 58 LEU N N 58 120.480 120.480 121.285 -0.805 18978 5879 1 8 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.728 -0.298 18978 5880 1 8 . 1 1 58 58 LEU C C 58 174.570 174.570 174.980 -0.410 18978 5881 1 8 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.252 -0.352 18978 5882 1 8 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.278 -2.068 18978 5883 1 8 . 1 1 58 58 LEU H H 58 8.960 8.960 8.436 0.524 18978 5884 1 8 . 1 1 59 59 ARG N N 59 125.180 125.180 125.539 -0.359 18978 5885 1 8 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.531 0.399 18978 5886 1 8 . 1 1 59 59 ARG C C 59 175.460 175.460 175.356 0.104 18978 5887 1 8 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.129 -1.089 18978 5888 1 8 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.603 -1.053 18978 5889 1 8 . 1 1 59 59 ARG H H 59 8.130 8.130 8.522 -0.392 18978 5890 1 8 . 1 1 60 60 VAL N N 60 128.170 128.170 128.234 -0.064 18978 5891 1 8 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.035 -0.625 18978 5892 1 8 . 1 1 60 60 VAL C C 60 175.460 175.460 174.717 0.743 18978 5893 1 8 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.450 1.760 18978 5894 1 8 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.936 -2.096 18978 5895 1 8 . 1 1 60 60 VAL H H 60 8.450 8.450 8.204 0.246 18978 5896 1 8 . 1 1 61 61 GLU N N 61 127.670 127.670 127.359 0.311 18978 5897 1 8 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.576 0.294 18978 5898 1 8 . 1 1 61 61 GLU C C 61 176.960 176.960 176.203 0.757 18978 5899 1 8 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.747 -0.417 18978 5900 1 8 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.262 0.018 18978 5901 1 8 . 1 1 61 61 GLU H H 61 8.620 8.620 7.790 0.830 18978 5902 1 8 . 1 1 62 62 ASP N N 62 121.140 121.140 122.316 -1.176 18978 5903 1 8 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.276 -0.126 18978 5904 1 8 . 1 1 62 62 ASP C C 62 177.460 177.460 176.815 0.645 18978 5905 1 8 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.077 0.543 18978 5906 1 8 . 1 1 62 62 ASP CB C 62 40.360 40.360 41.107 -0.747 18978 5907 1 8 . 1 1 62 62 ASP H H 62 8.700 8.700 8.882 -0.182 18978 5908 1 8 . 1 1 63 63 ARG N N 63 112.890 112.890 115.273 -2.383 18978 5909 1 8 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.419 -0.139 18978 5910 1 8 . 1 1 63 63 ARG C C 63 176.510 176.510 176.427 0.083 18978 5911 1 8 . 1 1 63 63 ARG CA C 63 55.450 55.450 55.847 -0.397 18978 5912 1 8 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.439 0.551 18978 5913 1 8 . 1 1 63 63 ARG H H 63 7.760 7.760 8.111 -0.351 18978 5914 1 8 . 1 1 64 64 THR N N 64 120.650 120.650 118.076 2.574 18978 5915 1 8 . 1 1 64 64 THR HA H 64 4.020 4.020 4.397 -0.377 18978 5916 1 8 . 1 1 64 64 THR C C 64 173.810 173.810 174.018 -0.208 18978 5917 1 8 . 1 1 64 64 THR CA C 64 64.060 64.060 62.720 1.340 18978 5918 1 8 . 1 1 64 64 THR CB C 64 69.350 69.350 70.362 -1.012 18978 5919 1 8 . 1 1 64 64 THR H H 64 7.700 7.700 7.598 0.102 18978 5920 1 8 . 1 1 65 65 LYS N N 65 130.950 130.950 126.935 4.015 18978 5921 1 8 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.473 -0.203 18978 5922 1 8 . 1 1 65 65 LYS C C 65 174.560 174.560 175.095 -0.535 18978 5923 1 8 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.148 0.132 18978 5924 1 8 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.361 -0.241 18978 5925 1 8 . 1 1 65 65 LYS H H 65 8.520 8.520 8.272 0.248 18978 5926 1 8 . 1 1 66 66 ILE N N 66 128.020 128.020 125.842 2.178 18978 5927 1 8 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.790 0.060 18978 5928 1 8 . 1 1 66 66 ILE C C 66 174.650 174.650 176.065 -1.415 18978 5929 1 8 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.219 -0.399 18978 5930 1 8 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.090 -1.810 18978 5931 1 8 . 1 1 66 66 ILE H H 66 8.430 8.430 8.635 -0.205 18978 5932 1 8 . 1 1 67 67 THR N N 67 123.870 123.870 123.447 0.423 18978 5933 1 8 . 1 1 67 67 THR HA H 67 4.470 4.470 4.781 -0.311 18978 5934 1 8 . 1 1 67 67 THR C C 67 172.760 172.760 172.922 -0.162 18978 5935 1 8 . 1 1 67 67 THR CA C 67 60.740 60.740 61.496 -0.756 18978 5936 1 8 . 1 1 67 67 THR CB C 67 71.320 71.320 71.331 -0.011 18978 5937 1 8 . 1 1 67 67 THR H H 67 8.870 8.870 8.481 0.389 18978 5938 1 8 . 1 1 68 68 LEU N N 68 127.070 127.070 126.929 0.141 18978 5939 1 8 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.004 0.136 18978 5940 1 8 . 1 1 68 68 LEU C C 68 176.610 176.610 176.699 -0.089 18978 5941 1 8 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.167 -0.887 18978 5942 1 8 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.498 -0.898 18978 5943 1 8 . 1 1 68 68 LEU H H 68 8.820 8.820 8.719 0.101 18978 5944 1 8 . 1 1 69 69 VAL N N 69 124.120 124.120 124.394 -0.274 18978 5945 1 8 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.356 -0.096 18978 5946 1 8 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.593 -1.243 18978 5947 1 8 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.772 0.018 18978 5948 1 8 . 1 1 69 69 VAL H H 69 8.800 8.800 8.241 0.559 18978 5949 1 8 . 1 1 70 70 THR N N 70 114.500 114.500 118.026 -3.526 18978 5950 1 8 . 1 1 70 70 THR HA H 70 4.410 4.410 4.485 -0.075 18978 5951 1 8 . 1 1 70 70 THR CA C 70 60.800 60.800 62.004 -1.204 18978 5952 1 8 . 1 1 70 70 THR CB C 70 69.650 69.650 69.447 0.203 18978 5953 1 8 . 1 1 70 70 THR H H 70 8.160 8.160 8.656 -0.496 18978 5954 1 8 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.477 -0.547 18978 5955 1 8 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.680 0.840 18978 5956 1 8 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.538 1.603 18978 5957 1 8 . 1 1 73 73 VAL N N 73 117.500 117.500 116.107 1.393 18978 5958 1 8 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.492 0.028 18978 5959 1 8 . 1 1 73 73 VAL C C 73 174.100 174.100 174.299 -0.199 18978 5960 1 8 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.982 0.028 18978 5961 1 8 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.465 -1.135 18978 5962 1 8 . 1 1 73 73 VAL H H 73 7.410 7.410 7.562 -0.152 18978 5963 1 8 . 1 1 74 74 ASP N N 74 124.500 124.500 122.326 2.174 18978 5964 1 8 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.873 0.037 18978 5965 1 8 . 1 1 74 74 ASP C C 74 174.000 174.000 175.567 -1.567 18978 5966 1 8 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.890 -0.440 18978 5967 1 8 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.673 1.677 18978 5968 1 8 . 1 1 74 74 ASP H H 74 8.290 8.290 8.408 -0.118 18978 5969 1 8 . 1 1 75 75 VAL N N 75 122.400 122.400 124.747 -2.347 18978 5970 1 8 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.359 0.331 18978 5971 1 8 . 1 1 75 75 VAL C C 75 174.600 174.600 175.323 -0.723 18978 5972 1 8 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.675 -0.475 18978 5973 1 8 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.912 0.418 18978 5974 1 8 . 1 1 75 75 VAL H H 75 7.780 7.780 8.430 -0.650 18978 5975 1 8 . 1 1 76 76 LEU N N 76 130.300 130.300 128.178 2.122 18978 5976 1 8 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.684 0.036 18978 5977 1 8 . 1 1 76 76 LEU C C 76 174.400 174.400 175.859 -1.459 18978 5978 1 8 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.130 -0.500 18978 5979 1 8 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.492 1.468 18978 5980 1 8 . 1 1 76 76 LEU H H 76 9.200 9.200 8.449 0.751 18978 5981 1 8 . 1 1 77 77 GLU N N 77 118.600 118.600 123.434 -4.834 18978 5982 1 8 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.477 0.843 18978 5983 1 8 . 1 1 77 77 GLU C C 77 174.900 174.900 174.898 0.002 18978 5984 1 8 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.952 -1.862 18978 5985 1 8 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.887 2.313 18978 5986 1 8 . 1 1 77 77 GLU H H 77 8.010 8.010 8.508 -0.498 18978 5987 1 8 . 1 1 78 78 ALA N N 78 124.500 124.500 125.572 -1.072 18978 5988 1 8 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.557 0.083 18978 5989 1 8 . 1 1 78 78 ALA C C 78 175.500 175.500 176.809 -1.309 18978 5990 1 8 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.441 -0.761 18978 5991 1 8 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.425 0.385 18978 5992 1 8 . 1 1 78 78 ALA H H 78 8.800 8.800 8.240 0.560 18978 5993 1 8 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.407 0.073 18978 5994 1 8 . 1 1 79 79 LYS C C 79 174.700 174.700 175.589 -0.889 18978 5995 1 8 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.236 -0.136 18978 5996 1 8 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.827 -1.887 18978 5997 1 8 . 1 1 80 80 ILE N N 80 127.300 127.300 123.482 3.818 18978 5998 1 8 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.255 -0.175 18978 5999 1 8 . 1 1 80 80 ILE C C 80 172.700 172.700 175.016 -2.316 18978 6000 1 8 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.170 -0.230 18978 6001 1 8 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.972 1.958 18978 6002 1 8 . 1 1 80 80 ILE H H 80 7.380 7.380 8.460 -1.080 18978 6003 1 8 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.458 -0.178 18978 6004 1 8 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.126 -0.006 18978 6005 1 8 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.115 -0.365 18978 6006 1 8 . 1 1 82 82 GLY N N 82 113.000 113.000 113.764 -0.764 18978 6007 1 8 . 1 1 82 82 GLY C C 82 174.600 174.600 174.087 0.513 18978 6008 1 8 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.590 2.280 18978 6009 1 8 . 1 1 82 82 GLY H H 82 8.210 8.210 8.717 -0.507 18978 6010 1 8 . 1 1 83 83 ILE N N 83 121.200 121.200 118.971 2.229 18978 6011 1 8 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.844 -0.504 18978 6012 1 8 . 1 1 83 83 ILE C C 83 175.000 175.000 176.344 -1.344 18978 6013 1 8 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.226 2.484 18978 6014 1 8 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.938 -0.448 18978 6015 1 8 . 1 1 83 83 ILE H H 83 8.350 8.350 8.101 0.249 18978 6016 1 8 . 1 1 84 84 LYS N N 84 129.400 129.400 129.275 0.125 18978 6017 1 8 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.356 0.134 18978 6018 1 8 . 1 1 84 84 LYS C C 84 175.000 175.000 176.327 -1.327 18978 6019 1 8 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.883 -0.813 18978 6020 1 8 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.347 0.143 18978 6021 1 8 . 1 1 84 84 LYS H H 84 9.160 9.160 8.811 0.349 18978 6022 1 8 . 1 1 85 85 ASP N N 85 117.500 117.500 117.621 -0.121 18978 6023 1 8 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.876 -0.096 18978 6024 1 8 . 1 1 85 85 ASP C C 85 173.200 173.200 173.720 -0.520 18978 6025 1 8 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.944 -0.854 18978 6026 1 8 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.210 -0.720 18978 6027 1 8 . 1 1 85 85 ASP H H 85 7.990 7.990 7.886 0.104 18978 6028 1 8 . 1 1 86 86 VAL N N 86 119.400 119.400 122.145 -2.745 18978 6029 1 8 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.562 0.608 18978 6030 1 8 . 1 1 86 86 VAL C C 86 172.500 172.500 175.229 -2.729 18978 6031 1 8 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.906 -1.156 18978 6032 1 8 . 1 1 86 86 VAL CB C 86 35.160 35.160 33.747 1.413 18978 6033 1 8 . 1 1 86 86 VAL H H 86 8.210 8.210 8.468 -0.258 18978 6034 1 8 . 1 1 87 87 ILE N N 87 127.100 127.100 128.589 -1.489 18978 6035 1 8 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.466 -0.256 18978 6036 1 8 . 1 1 87 87 ILE C C 87 173.600 173.600 174.409 -0.809 18978 6037 1 8 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.503 -0.033 18978 6038 1 8 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.550 0.940 18978 6039 1 8 . 1 1 87 87 ILE H H 87 9.190 9.190 8.639 0.551 18978 6040 1 8 . 1 1 88 88 LEU N N 88 125.700 125.700 127.831 -2.131 18978 6041 1 8 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.804 0.236 18978 6042 1 8 . 1 1 88 88 LEU C C 88 174.500 174.500 175.824 -1.324 18978 6043 1 8 . 1 1 88 88 LEU CA C 88 52.940 52.940 53.983 -1.043 18978 6044 1 8 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.152 -0.642 18978 6045 1 8 . 1 1 88 88 LEU H H 88 7.840 7.840 8.489 -0.649 18978 6046 1 8 . 1 1 89 89 ASP N N 89 127.800 127.800 122.905 4.895 18978 6047 1 8 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.023 -0.253 18978 6048 1 8 . 1 1 89 89 ASP C C 89 174.100 174.100 176.306 -2.206 18978 6049 1 8 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.537 0.083 18978 6050 1 8 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.555 -0.485 18978 6051 1 8 . 1 1 89 89 ASP H H 89 8.280 8.280 8.805 -0.525 18978 6052 1 8 . 1 1 90 90 GLU N N 90 122.400 122.400 123.210 -0.810 18978 6053 1 8 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.037 -0.187 18978 6054 1 8 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.230 -0.399 18978 6055 1 8 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.863 -0.453 18978 6056 1 8 . 1 1 90 90 GLU H H 90 8.980 8.980 8.766 0.214 18978 6057 1 8 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.877 -0.597 18978 6058 1 8 . 1 1 91 91 ASN C C 91 173.600 173.600 174.022 -0.422 18978 6059 1 8 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.373 1.787 18978 6060 1 8 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.443 0.457 18978 6061 1 8 . 1 1 92 92 LEU N N 92 117.400 117.400 120.122 -2.722 18978 6062 1 8 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.716 0.314 18978 6063 1 8 . 1 1 92 92 LEU C C 92 174.700 174.700 174.131 0.569 18978 6064 1 8 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.894 -1.194 18978 6065 1 8 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.767 0.483 18978 6066 1 8 . 1 1 92 92 LEU H H 92 7.110 7.110 7.731 -0.621 18978 6067 1 8 . 1 1 93 93 ILE N N 93 121.300 121.300 121.912 -0.612 18978 6068 1 8 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.571 -0.121 18978 6069 1 8 . 1 1 93 93 ILE C C 93 174.000 174.000 174.457 -0.457 18978 6070 1 8 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.813 0.157 18978 6071 1 8 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.551 0.079 18978 6072 1 8 . 1 1 93 93 ILE H H 93 8.450 8.450 8.587 -0.137 18978 6073 1 8 . 1 1 94 94 VAL N N 94 128.000 128.000 127.877 0.123 18978 6074 1 8 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.971 -0.131 18978 6075 1 8 . 1 1 94 94 VAL C C 94 174.000 174.000 174.599 -0.599 18978 6076 1 8 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.809 0.291 18978 6077 1 8 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.443 -2.323 18978 6078 1 8 . 1 1 94 94 VAL H H 94 8.970 8.970 8.501 0.469 18978 6079 1 8 . 1 1 95 95 VAL N N 95 127.700 127.700 126.574 1.126 18978 6080 1 8 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.618 0.052 18978 6081 1 8 . 1 1 95 95 VAL C C 95 173.300 173.300 174.590 -1.290 18978 6082 1 8 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.806 0.034 18978 6083 1 8 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.826 -0.586 18978 6084 1 8 . 1 1 95 95 VAL H H 95 9.420 9.420 8.570 0.850 18978 6085 1 8 . 1 1 96 96 ILE N N 96 126.000 126.000 127.492 -1.492 18978 6086 1 8 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.909 0.311 18978 6087 1 8 . 1 1 96 96 ILE C C 96 177.100 177.100 175.650 1.450 18978 6088 1 8 . 1 1 96 96 ILE CA C 96 59.570 59.570 60.028 -0.458 18978 6089 1 8 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.673 0.077 18978 6090 1 8 . 1 1 96 96 ILE H H 96 8.460 8.460 8.806 -0.345 18978 6091 1 8 . 1 1 97 97 THR N N 97 118.100 118.100 118.160 -0.060 18978 6092 1 8 . 1 1 97 97 THR HA H 97 5.250 5.250 4.913 0.337 18978 6093 1 8 . 1 1 97 97 THR C C 97 176.300 176.300 176.148 0.152 18978 6094 1 8 . 1 1 97 97 THR CA C 97 59.650 59.650 59.728 -0.078 18978 6095 1 8 . 1 1 97 97 THR CB C 97 71.890 71.890 71.493 0.397 18978 6096 1 8 . 1 1 97 97 THR H H 97 9.050 9.050 8.468 0.582 18978 6097 1 8 . 1 1 98 98 GLU N N 98 120.100 120.100 122.710 -2.610 18978 6098 1 8 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.970 0.150 18978 6099 1 8 . 1 1 98 98 GLU C C 98 176.200 176.200 177.760 -1.560 18978 6100 1 8 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.329 -1.439 18978 6101 1 8 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.505 0.026 18978 6102 1 8 . 1 1 98 98 GLU H H 98 9.220 9.220 8.312 0.908 18978 6103 1 8 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.237 -0.087 18978 6104 1 8 . 1 1 99 99 GLU C C 99 174.200 174.200 176.056 -1.856 18978 6105 1 8 . 1 1 99 99 GLU CA C 99 58.210 58.210 55.929 2.281 18978 6106 1 8 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.539 1.331 18978 6107 1 8 . 1 1 100 100 ASN N N 100 113.200 113.200 114.640 -1.440 18978 6108 1 8 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.381 -0.271 18978 6109 1 8 . 1 1 100 100 ASN C C 100 173.700 173.700 173.514 0.186 18978 6110 1 8 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.590 -0.190 18978 6111 1 8 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.391 -0.531 18978 6112 1 8 . 1 1 100 100 ASN H H 100 8.020 8.020 8.073 -0.053 18978 6113 1 8 . 1 1 101 101 GLU N N 101 115.500 115.500 118.203 -2.703 18978 6114 1 8 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.772 0.378 18978 6115 1 8 . 1 1 101 101 GLU C C 101 174.900 174.900 174.289 0.611 18978 6116 1 8 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.097 -0.047 18978 6117 1 8 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.425 -2.025 18978 6118 1 8 . 1 1 101 101 GLU H H 101 7.230 7.230 7.316 -0.086 18978 6119 1 8 . 1 1 102 102 VAL N N 102 122.700 122.700 124.704 -2.004 18978 6120 1 8 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.657 0.263 18978 6121 1 8 . 1 1 102 102 VAL C C 102 173.700 173.700 174.351 -0.651 18978 6122 1 8 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.510 -0.590 18978 6123 1 8 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.616 0.194 18978 6124 1 8 . 1 1 102 102 VAL H H 102 8.710 8.710 8.634 0.076 18978 6125 1 8 . 1 1 103 103 LEU N N 103 127.300 127.300 128.222 -0.922 18978 6126 1 8 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.747 -0.447 18978 6127 1 8 . 1 1 103 103 LEU C C 103 174.500 174.500 175.393 -0.893 18978 6128 1 8 . 1 1 103 103 LEU CA C 103 53.820 53.820 54.091 -0.271 18978 6129 1 8 . 1 1 103 103 LEU H H 103 9.140 9.140 8.509 0.631 18978 6130 1 8 . 1 1 104 104 ILE N N 104 122.200 122.200 121.415 0.785 18978 6131 1 8 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.705 0.035 18978 6132 1 8 . 1 1 104 104 ILE C C 104 173.600 173.600 174.423 -0.823 18978 6133 1 8 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.492 -0.272 18978 6134 1 8 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.566 -0.416 18978 6135 1 8 . 1 1 104 104 ILE H H 104 8.470 8.470 8.387 0.083 18978 6136 1 8 . 1 1 105 105 PHE N N 105 126.600 126.600 125.414 1.186 18978 6137 1 8 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.725 -0.155 18978 6138 1 8 . 1 1 105 105 PHE C C 105 175.800 175.800 175.244 0.556 18978 6139 1 8 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.765 -0.315 18978 6140 1 8 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.520 1.150 18978 6141 1 8 . 1 1 105 105 PHE H H 105 9.330 9.330 9.166 0.164 18978 6142 1 8 . 1 1 106 106 ASN N N 106 116.000 116.000 118.226 -2.226 18978 6143 1 8 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.058 0.412 18978 6144 1 8 . 1 1 106 106 ASN C C 106 176.700 176.700 176.986 -0.286 18978 6145 1 8 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.174 -0.674 18978 6146 1 8 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.532 -0.932 18978 6147 1 8 . 1 1 106 106 ASN H H 106 7.710 7.710 8.271 -0.561 18978 6148 1 8 . 1 1 107 107 GLN N N 107 114.500 114.500 119.385 -4.885 18978 6149 1 8 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.054 -0.164 18978 6150 1 8 . 1 1 107 107 GLN C C 107 173.700 173.700 176.175 -2.475 18978 6151 1 8 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.834 -1.324 18978 6152 1 8 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.483 -1.393 18978 6153 1 8 . 1 1 107 107 GLN H H 107 8.040 8.040 8.817 -0.777 18978 6154 1 8 . 1 1 108 108 ASN N N 108 115.800 115.800 115.876 -0.076 18978 6155 1 8 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.627 0.043 18978 6156 1 8 . 1 1 108 108 ASN C C 108 173.600 173.600 175.533 -1.933 18978 6157 1 8 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.087 -0.996 18978 6158 1 8 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.335 0.525 18978 6159 1 8 . 1 1 108 108 ASN H H 108 7.440 7.440 8.239 -0.799 18978 6160 1 8 . 1 1 109 109 LEU N N 109 115.200 115.200 119.814 -4.614 18978 6161 1 8 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.882 -0.352 18978 6162 1 8 . 1 1 109 109 LEU C C 109 174.700 174.700 175.008 -0.308 18978 6163 1 8 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.082 -0.312 18978 6164 1 8 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.005 -1.305 18978 6165 1 8 . 1 1 109 109 LEU H H 109 8.220 8.220 7.663 0.557 18978 6166 1 8 . 1 1 110 110 GLU N N 110 117.600 117.600 119.282 -1.682 18978 6167 1 8 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.715 -0.295 18978 6168 1 8 . 1 1 110 110 GLU C C 110 175.800 175.800 175.817 -0.017 18978 6169 1 8 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.755 0.425 18978 6170 1 8 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.556 -3.736 18978 6171 1 8 . 1 1 110 110 GLU H H 110 7.550 7.550 8.332 -0.782 18978 6172 1 8 . 1 1 111 111 GLU N N 111 125.900 125.900 121.994 3.906 18978 6173 1 8 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.087 -0.257 18978 6174 1 8 . 1 1 111 111 GLU C C 111 175.400 175.400 176.053 -0.653 18978 6175 1 8 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.458 -0.818 18978 6176 1 8 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.817 0.803 18978 6177 1 8 . 1 1 111 111 GLU H H 111 8.350 8.350 8.889 -0.539 18978 6178 1 8 . 1 1 112 112 LEU N N 112 128.000 128.000 126.565 1.435 18978 6179 1 8 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.463 -0.193 18978 6180 1 8 . 1 1 112 112 LEU C C 112 176.100 176.100 176.571 -0.471 18978 6181 1 8 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.523 -0.493 18978 6182 1 8 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.972 -1.202 18978 6183 1 8 . 1 1 112 112 LEU H H 112 9.110 9.110 8.221 0.889 18978 6184 1 8 . 1 1 113 113 TYR N N 113 116.300 116.300 119.645 -3.345 18978 6185 1 8 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.653 -0.323 18978 6186 1 8 . 1 1 113 113 TYR C C 113 171.700 171.700 172.907 -1.207 18978 6187 1 8 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.528 0.432 18978 6188 1 8 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.090 -0.370 18978 6189 1 8 . 1 1 113 113 TYR H H 113 7.250 7.250 7.492 -0.242 18978 6190 1 8 . 1 1 114 114 ARG N N 114 126.200 126.200 124.226 1.974 18978 6191 1 8 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.071 -0.051 18978 6192 1 8 . 1 1 114 114 ARG C C 114 173.500 173.500 174.137 -0.637 18978 6193 1 8 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.756 -0.136 18978 6194 1 8 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.581 0.869 18978 6195 1 8 . 1 1 114 114 ARG H H 114 6.560 6.560 7.856 -1.296 18978 6196 1 8 . 1 1 115 115 GLY N N 115 111.300 111.300 110.665 0.635 18978 6197 1 8 . 1 1 115 115 GLY C C 115 178.100 178.100 171.110 6.990 18978 6198 1 8 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.826 -0.416 18978 6199 1 8 . 1 1 115 115 GLY H H 115 8.320 8.320 8.410 -0.090 18978 6200 1 8 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.479 0.291 18978 6201 1 8 . 1 1 116 116 LYS C C 116 174.400 174.400 174.775 -0.375 18978 6202 1 8 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.132 0.058 18978 6203 1 8 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.010 -0.670 18978 6204 1 8 . 1 1 117 117 PHE N N 117 125.800 125.800 123.495 2.305 18978 6205 1 8 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.850 -0.300 18978 6206 1 8 . 1 1 117 117 PHE C C 117 174.000 174.000 176.193 -2.193 18978 6207 1 8 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.422 0.428 18978 6208 1 8 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.843 0.317 18978 6209 1 8 . 1 1 117 117 PHE H H 117 8.090 8.090 8.418 -0.328 18978 6210 1 8 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.810 -0.150 18978 6211 1 8 . 1 1 119 119 ASN C C 119 173.500 173.500 174.658 -1.158 18978 6212 1 8 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.606 -0.126 18978 6213 1 8 . 1 1 119 119 ASN CB C 119 38.190 38.190 37.898 0.292 18978 6214 1 8 . 1 1 120 120 LEU N N 120 120.200 120.200 122.381 -2.181 18978 6215 1 8 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.068 -0.238 18978 6216 1 8 . 1 1 120 120 LEU C C 120 175.000 175.000 176.176 -1.176 18978 6217 1 8 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.398 -0.128 18978 6218 1 8 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.012 0.758 18978 6219 1 8 . 1 1 120 120 LEU H H 120 6.900 6.900 7.669 -0.769 18978 6220 1 8 . 1 1 121 121 ASN N N 121 124.200 124.200 124.753 -0.553 18978 6221 1 8 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.875 0.015 18978 6222 1 8 . 1 1 121 121 ASN C C 121 174.300 174.300 175.466 -1.166 18978 6223 1 8 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.072 -0.192 18978 6224 1 8 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.980 -0.540 18978 6225 1 8 . 1 1 121 121 ASN H H 121 8.900 8.900 8.545 0.355 18978 6226 1 8 . 1 1 122 122 LYS N N 122 115.100 115.100 119.563 -4.463 18978 6227 1 8 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.644 -0.174 18978 6228 1 8 . 1 1 122 122 LYS C C 122 172.500 172.500 174.084 -1.584 18978 6229 1 8 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.581 0.119 18978 6230 1 8 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.848 -1.188 18978 6231 1 8 . 1 1 122 122 LYS H H 122 7.410 7.410 7.828 -0.418 18978 6232 1 8 . 1 1 123 123 VAL N N 123 121.500 121.500 121.344 0.156 18978 6233 1 8 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.434 0.386 18978 6234 1 8 . 1 1 123 123 VAL C C 123 173.400 173.400 175.136 -1.736 18978 6235 1 8 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.320 -0.630 18978 6236 1 8 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.616 0.534 18978 6237 1 8 . 1 1 123 123 VAL H H 123 7.730 7.730 8.392 -0.662 18978 6238 1 8 . 1 1 124 124 LEU N N 124 126.600 126.600 129.413 -2.813 18978 6239 1 8 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.808 -0.088 18978 6240 1 8 . 1 1 124 124 LEU C C 124 174.200 174.200 175.189 -0.989 18978 6241 1 8 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.044 -0.664 18978 6242 1 8 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.941 0.169 18978 6243 1 8 . 1 1 124 124 LEU H H 124 9.060 9.060 8.385 0.675 18978 6244 1 8 . 1 1 125 125 VAL N N 125 120.300 120.300 121.735 -1.435 18978 6245 1 8 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.482 0.188 18978 6246 1 8 . 1 1 125 125 VAL C C 125 174.700 174.700 175.392 -0.692 18978 6247 1 8 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.116 -0.826 18978 6248 1 8 . 1 1 125 125 VAL CB C 125 34.250 34.250 32.935 1.315 18978 6249 1 8 . 1 1 125 125 VAL H H 125 8.030 8.030 8.511 -0.481 18978 6250 1 8 . 1 1 126 126 ARG N N 126 127.100 127.100 125.905 1.195 18978 6251 1 8 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.736 -0.266 18978 6252 1 8 . 1 1 126 126 ARG C C 126 174.400 174.400 175.355 -0.955 18978 6253 1 8 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.760 1.070 18978 6254 1 8 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.954 -2.654 18978 6255 1 8 . 1 1 126 126 ARG H H 126 8.630 8.630 8.344 0.286 18978 6256 1 8 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.363 -0.073 18978 6257 1 8 . 1 1 127 127 ASN C C 127 172.600 172.600 174.081 -1.481 18978 6258 1 8 . 1 1 127 127 ASN CA C 127 56.060 56.060 54.940 1.120 18978 6259 1 8 . 1 1 127 127 ASN CB C 127 36.950 36.950 38.393 -1.443 18978 6260 1 8 . 1 1 128 128 ASP N N 128 117.600 117.600 118.095 -0.495 18978 6261 1 8 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.559 -0.109 18978 6262 1 8 . 1 1 128 128 ASP C C 128 174.000 174.000 175.236 -1.236 18978 6263 1 8 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.748 -1.228 18978 6264 1 8 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.198 -0.388 18978 6265 1 8 . 1 1 128 128 ASP H H 128 8.560 8.560 8.432 0.128 18978 6266 1 8 . 1 1 129 129 LEU N N 129 121.500 121.500 119.767 1.733 18978 6267 1 8 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.652 0.418 18978 6268 1 8 . 1 1 129 129 LEU C C 129 174.800 174.800 174.923 -0.123 18978 6269 1 8 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.145 -0.345 18978 6270 1 8 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.028 0.092 18978 6271 1 8 . 1 1 129 129 LEU H H 129 7.730 7.730 7.550 0.180 18978 6272 1 8 . 1 1 130 130 VAL N N 130 120.600 120.600 122.075 -1.475 18978 6273 1 8 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.502 0.208 18978 6274 1 8 . 1 1 130 130 VAL C C 130 173.500 173.500 174.425 -0.925 18978 6275 1 8 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.149 -0.629 18978 6276 1 8 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.445 -0.695 18978 6277 1 8 . 1 1 130 130 VAL H H 130 8.410 8.410 8.019 0.391 18978 6278 1 8 . 1 1 131 131 VAL HA H 131 4.600 4.600 5.119 -0.519 18978 6279 1 8 . 1 1 131 131 VAL CA C 131 60.590 60.590 59.158 1.432 18978 6280 1 8 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.455 -1.595 18978 6281 1 8 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.416 -0.116 18978 6282 1 8 . 1 1 132 132 ILE C C 132 174.900 174.900 174.511 0.389 18978 6283 1 8 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.025 0.455 18978 6284 1 8 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.790 -0.740 18978 6285 1 8 . 1 1 133 133 ILE N N 133 126.200 126.200 126.857 -0.657 18978 6286 1 8 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.446 0.224 18978 6287 1 8 . 1 1 133 133 ILE C C 133 174.200 174.200 174.081 0.119 18978 6288 1 8 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.664 1.266 18978 6289 1 8 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.715 1.405 18978 6290 1 8 . 1 1 133 133 ILE H H 133 8.490 8.490 8.607 -0.117 18978 6291 1 8 . 1 1 134 134 ASP N N 134 130.100 130.100 125.512 4.588 18978 6292 1 8 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.193 -0.243 18978 6293 1 8 . 1 1 134 134 ASP C C 134 174.600 174.600 176.574 -1.974 18978 6294 1 8 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.025 0.365 18978 6295 1 8 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.183 -0.813 18978 6296 1 8 . 1 1 134 134 ASP H H 134 8.360 8.360 8.130 0.230 18978 6297 1 8 . 1 1 135 135 GLU N N 135 118.000 118.000 121.390 -3.390 18978 6298 1 8 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.946 0.264 18978 6299 1 8 . 1 1 135 135 GLU C C 135 176.200 176.200 177.547 -1.347 18978 6300 1 8 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.115 -0.365 18978 6301 1 8 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.605 0.685 18978 6302 1 8 . 1 1 135 135 GLU H H 135 7.840 7.840 8.632 -0.792 18978 6303 1 8 . 1 1 136 136 GLN N N 136 115.200 115.200 116.247 -1.047 18978 6304 1 8 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.209 0.661 18978 6305 1 8 . 1 1 136 136 GLN C C 136 174.900 174.900 175.926 -1.026 18978 6306 1 8 . 1 1 136 136 GLN CA C 136 55.500 55.500 57.095 -1.595 18978 6307 1 8 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.734 1.196 18978 6308 1 8 . 1 1 136 136 GLN H H 136 8.860 8.860 8.353 0.507 18978 6309 1 8 . 1 1 137 137 LYS N N 137 118.100 118.100 114.737 3.363 18978 6310 1 8 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.500 0.410 18978 6311 1 8 . 1 1 137 137 LYS C C 137 172.400 172.400 173.676 -1.276 18978 6312 1 8 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.173 0.727 18978 6313 1 8 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.963 0.577 18978 6314 1 8 . 1 1 137 137 LYS H H 137 8.260 8.260 8.048 0.212 18978 6315 1 8 . 1 1 138 138 LEU N N 138 123.500 123.500 121.848 1.652 18978 6316 1 8 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.972 -0.112 18978 6317 1 8 . 1 1 138 138 LEU C C 138 174.400 174.400 175.947 -1.547 18978 6318 1 8 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.628 -0.118 18978 6319 1 8 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.779 0.181 18978 6320 1 8 . 1 1 138 138 LEU H H 138 8.410 8.410 8.406 0.004 18978 6321 1 8 . 1 1 139 139 THR N N 139 123.600 123.600 123.168 0.432 18978 6322 1 8 . 1 1 139 139 THR HA H 139 4.830 4.830 4.589 0.241 18978 6323 1 8 . 1 1 139 139 THR C C 139 171.400 171.400 172.620 -1.220 18978 6324 1 8 . 1 1 139 139 THR CA C 139 62.240 62.240 62.092 0.148 18978 6325 1 8 . 1 1 139 139 THR CB C 139 70.120 70.120 70.159 -0.039 18978 6326 1 8 . 1 1 139 139 THR H H 139 8.820 8.820 8.334 0.486 18978 6327 1 8 . 1 1 140 140 LEU N N 140 130.500 130.500 128.785 1.715 18978 6328 1 8 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.615 0.415 18978 6329 1 8 . 1 1 140 140 LEU C C 140 173.700 173.700 175.292 -1.592 18978 6330 1 8 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.430 -1.050 18978 6331 1 8 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.072 0.818 18978 6332 1 8 . 1 1 140 140 LEU H H 140 9.250 9.250 8.594 0.656 18978 6333 1 8 . 1 1 141 141 ILE N N 141 127.300 127.300 128.550 -1.250 18978 6334 1 8 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.330 0.330 18978 6335 1 8 . 1 1 141 141 ILE C C 141 174.200 174.200 174.430 -0.230 18978 6336 1 8 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.578 -1.068 18978 6337 1 8 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.649 -0.799 18978 6338 1 8 . 1 1 141 141 ILE H H 141 9.140 9.140 8.574 0.566 18978 6339 1 8 . 1 1 142 142 ARG N N 142 126.500 126.500 127.330 -0.830 18978 6340 1 8 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.592 0.288 18978 6341 1 8 . 1 1 142 142 ARG C C 142 175.100 175.100 175.934 -0.834 18978 6342 1 8 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.465 -0.925 18978 6343 1 8 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.636 -0.136 18978 6344 1 8 . 1 1 142 142 ARG H H 142 8.550 8.550 8.766 -0.216 18978 6345 1 9 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.972 -1.972 18978 6346 1 9 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.991 0.159 18978 6347 1 9 . 1 1 -2 -2 GLY H H -2 8.390 8.390 7.998 0.392 18978 6348 1 9 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.941 -3.211 18978 6349 1 9 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.295 -0.255 18978 6350 1 9 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.232 0.648 18978 6351 1 9 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.860 0.250 18978 6352 1 9 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 34.857 -2.097 18978 6353 1 9 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.218 -0.348 18978 6354 1 9 . 1 1 0 0 ILE N N 0 125.570 125.570 125.592 -0.022 18978 6355 1 9 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.466 -0.376 18978 6356 1 9 . 1 1 0 0 ILE C C 0 175.850 175.850 175.904 -0.054 18978 6357 1 9 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.564 0.236 18978 6358 1 9 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.971 -0.500 18978 6359 1 9 . 1 1 0 0 ILE H H 0 8.230 8.230 8.252 -0.022 18978 6360 1 9 . 1 1 1 1 MET N N 1 125.930 125.930 125.207 0.723 18978 6361 1 9 . 1 1 1 1 MET HA H 1 4.540 4.540 4.800 -0.260 18978 6362 1 9 . 1 1 1 1 MET C C 1 174.830 174.830 175.373 -0.543 18978 6363 1 9 . 1 1 1 1 MET CA C 1 54.790 54.790 55.782 -0.992 18978 6364 1 9 . 1 1 1 1 MET CB C 1 32.640 32.640 33.210 -0.570 18978 6365 1 9 . 1 1 1 1 MET H H 1 8.370 8.370 8.441 -0.071 18978 6366 1 9 . 1 1 2 2 SER N N 2 116.400 116.400 117.418 -1.018 18978 6367 1 9 . 1 1 2 2 SER HA H 2 5.030 5.030 5.064 -0.034 18978 6368 1 9 . 1 1 2 2 SER C C 2 174.330 174.330 173.412 0.918 18978 6369 1 9 . 1 1 2 2 SER CA C 2 57.320 57.320 57.056 0.264 18978 6370 1 9 . 1 1 2 2 SER CB C 2 64.790 64.790 65.895 -1.105 18978 6371 1 9 . 1 1 2 2 SER H H 2 7.990 7.990 8.261 -0.271 18978 6372 1 9 . 1 1 3 3 GLU N N 3 123.670 123.670 124.040 -0.370 18978 6373 1 9 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.409 -0.159 18978 6374 1 9 . 1 1 3 3 GLU C C 3 172.980 172.980 173.637 -0.657 18978 6375 1 9 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.709 -0.319 18978 6376 1 9 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.439 -0.529 18978 6377 1 9 . 1 1 3 3 GLU H H 3 9.430 9.430 8.679 0.751 18978 6378 1 9 . 1 1 4 4 LEU N N 4 125.350 125.350 125.678 -0.328 18978 6379 1 9 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.055 -0.185 18978 6380 1 9 . 1 1 4 4 LEU C C 4 174.000 174.000 174.421 -0.421 18978 6381 1 9 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.949 -0.929 18978 6382 1 9 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.318 -0.278 18978 6383 1 9 . 1 1 4 4 LEU H H 4 8.930 8.930 8.419 0.511 18978 6384 1 9 . 1 1 5 5 LYS N N 5 124.640 124.640 126.097 -1.457 18978 6385 1 9 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.965 0.395 18978 6386 1 9 . 1 1 5 5 LYS C C 5 175.660 175.660 175.232 0.428 18978 6387 1 9 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.095 -0.155 18978 6388 1 9 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.112 0.168 18978 6389 1 9 . 1 1 5 5 LYS H H 5 8.840 8.840 8.357 0.483 18978 6390 1 9 . 1 1 6 6 LEU N N 6 123.460 123.460 125.006 -1.546 18978 6391 1 9 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.112 0.318 18978 6392 1 9 . 1 1 6 6 LEU C C 6 174.630 174.630 175.223 -0.593 18978 6393 1 9 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.368 -0.468 18978 6394 1 9 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.176 1.734 18978 6395 1 9 . 1 1 6 6 LEU H H 6 8.820 8.820 8.332 0.488 18978 6396 1 9 . 1 1 7 7 LYS N N 7 122.230 122.230 122.377 -0.147 18978 6397 1 9 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.091 0.399 18978 6398 1 9 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.451 -0.181 18978 6399 1 9 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.691 0.809 18978 6400 1 9 . 1 1 7 7 LYS H H 7 9.110 9.110 8.482 0.628 18978 6401 1 9 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.009 -0.909 18978 6402 1 9 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.659 -0.219 18978 6403 1 9 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.936 -2.296 18978 6404 1 9 . 1 1 9 9 LEU N N 9 123.250 123.250 123.016 0.234 18978 6405 1 9 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.395 -0.075 18978 6406 1 9 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.698 0.982 18978 6407 1 9 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.192 -1.432 18978 6408 1 9 . 1 1 9 9 LEU H H 9 8.490 8.490 8.035 0.455 18978 6409 1 9 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.472 0.058 18978 6410 1 9 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.192 0.688 18978 6411 1 9 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.089 -0.669 18978 6412 1 9 . 1 1 11 11 LYS N N 11 119.160 119.160 122.367 -3.207 18978 6413 1 9 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.328 -0.218 18978 6414 1 9 . 1 1 11 11 LYS C C 11 175.680 175.680 175.425 0.255 18978 6415 1 9 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.215 -0.005 18978 6416 1 9 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.992 -1.332 18978 6417 1 9 . 1 1 11 11 LYS H H 11 8.180 8.180 8.355 -0.175 18978 6418 1 9 . 1 1 12 12 VAL N N 12 121.820 121.820 125.056 -3.236 18978 6419 1 9 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.264 0.016 18978 6420 1 9 . 1 1 12 12 VAL C C 12 173.690 173.690 174.705 -1.015 18978 6421 1 9 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.158 -0.328 18978 6422 1 9 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.182 -0.632 18978 6423 1 9 . 1 1 12 12 VAL H H 12 7.530 7.530 8.102 -0.572 18978 6424 1 9 . 1 1 13 13 GLU N N 13 125.610 125.610 126.119 -0.509 18978 6425 1 9 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.615 -0.285 18978 6426 1 9 . 1 1 13 13 GLU C C 13 175.390 175.390 175.439 -0.049 18978 6427 1 9 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.915 -0.695 18978 6428 1 9 . 1 1 13 13 GLU CB C 13 29.970 29.970 29.897 0.073 18978 6429 1 9 . 1 1 13 13 GLU H H 13 8.270 8.270 8.422 -0.152 18978 6430 1 9 . 1 1 14 14 LEU N N 14 125.880 125.880 126.770 -0.890 18978 6431 1 9 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.554 -0.034 18978 6432 1 9 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.212 -0.552 18978 6433 1 9 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.973 -0.223 18978 6434 1 9 . 1 1 14 14 LEU H H 14 8.480 8.480 8.227 0.253 18978 6435 1 9 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.597 0.163 18978 6436 1 9 . 1 1 15 15 PRO CA C 15 61.330 61.330 62.001 -0.671 18978 6437 1 9 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.346 -0.286 18978 6438 1 9 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.218 0.172 18978 6439 1 9 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.104 -0.554 18978 6440 1 9 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.826 -0.056 18978 6441 1 9 . 1 1 17 17 ASP N N 17 115.820 115.820 115.609 0.211 18978 6442 1 9 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.760 -0.140 18978 6443 1 9 . 1 1 17 17 ASP C C 17 177.100 177.100 177.010 0.090 18978 6444 1 9 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.090 -0.200 18978 6445 1 9 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.958 0.162 18978 6446 1 9 . 1 1 17 17 ASP H H 17 8.560 8.560 8.742 -0.182 18978 6447 1 9 . 1 1 18 18 PHE N N 18 119.610 119.610 122.333 -2.723 18978 6448 1 9 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.148 0.032 18978 6449 1 9 . 1 1 18 18 PHE C C 18 176.740 176.740 176.769 -0.029 18978 6450 1 9 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.630 -0.610 18978 6451 1 9 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.334 -0.104 18978 6452 1 9 . 1 1 18 18 PHE H H 18 7.940 7.940 7.911 0.029 18978 6453 1 9 . 1 1 19 19 VAL N N 19 116.370 116.370 119.006 -2.636 18978 6454 1 9 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.605 -0.255 18978 6455 1 9 . 1 1 19 19 VAL C C 19 176.400 176.400 177.198 -0.798 18978 6456 1 9 . 1 1 19 19 VAL CA C 19 66.510 66.510 65.954 0.556 18978 6457 1 9 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.247 -0.227 18978 6458 1 9 . 1 1 19 19 VAL H H 19 8.010 8.010 8.106 -0.096 18978 6459 1 9 . 1 1 20 20 ASP N N 20 119.190 119.190 119.659 -0.469 18978 6460 1 9 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.324 -0.014 18978 6461 1 9 . 1 1 20 20 ASP C C 20 178.360 178.360 179.007 -0.647 18978 6462 1 9 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.728 -0.618 18978 6463 1 9 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.262 0.188 18978 6464 1 9 . 1 1 20 20 ASP H H 20 7.420 7.420 7.485 -0.065 18978 6465 1 9 . 1 1 21 21 VAL N N 21 119.830 119.830 120.224 -0.394 18978 6466 1 9 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.607 -0.097 18978 6467 1 9 . 1 1 21 21 VAL C C 21 178.100 178.100 178.117 -0.017 18978 6468 1 9 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.937 -0.367 18978 6469 1 9 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.101 0.309 18978 6470 1 9 . 1 1 21 21 VAL H H 21 7.190 7.190 7.339 -0.149 18978 6471 1 9 . 1 1 22 22 ILE N N 22 118.490 118.490 119.513 -1.023 18978 6472 1 9 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.501 -0.331 18978 6473 1 9 . 1 1 22 22 ILE C C 22 176.660 176.660 178.136 -1.476 18978 6474 1 9 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.971 1.249 18978 6475 1 9 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.175 1.325 18978 6476 1 9 . 1 1 22 22 ILE H H 22 7.660 7.660 7.673 -0.013 18978 6477 1 9 . 1 1 23 23 ARG N N 23 118.260 118.260 120.302 -2.042 18978 6478 1 9 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.924 -0.544 18978 6479 1 9 . 1 1 23 23 ARG C C 23 178.060 178.060 178.894 -0.834 18978 6480 1 9 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.924 0.646 18978 6481 1 9 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.108 -0.038 18978 6482 1 9 . 1 1 23 23 ARG H H 23 7.830 7.830 7.669 0.161 18978 6483 1 9 . 1 1 24 24 ILE N N 24 116.750 116.750 119.175 -2.425 18978 6484 1 9 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.762 -0.042 18978 6485 1 9 . 1 1 24 24 ILE C C 24 179.090 179.090 178.147 0.943 18978 6486 1 9 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.578 -0.518 18978 6487 1 9 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.859 0.171 18978 6488 1 9 . 1 1 24 24 ILE H H 24 7.350 7.350 7.725 -0.375 18978 6489 1 9 . 1 1 25 25 LYS N N 25 118.700 118.700 117.855 0.845 18978 6490 1 9 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.006 0.084 18978 6491 1 9 . 1 1 25 25 LYS C C 25 178.560 178.560 178.174 0.386 18978 6492 1 9 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.097 -1.447 18978 6493 1 9 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.923 -0.833 18978 6494 1 9 . 1 1 25 25 LYS H H 25 7.880 7.880 7.562 0.318 18978 6495 1 9 . 1 1 26 26 LEU N N 26 116.380 116.380 117.027 -0.647 18978 6496 1 9 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.228 0.002 18978 6497 1 9 . 1 1 26 26 LEU C C 26 175.880 175.880 177.109 -1.229 18978 6498 1 9 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.558 -1.468 18978 6499 1 9 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.881 0.429 18978 6500 1 9 . 1 1 26 26 LEU H H 26 7.860 7.860 7.783 0.077 18978 6501 1 9 . 1 1 27 27 GLN N N 27 119.210 119.210 117.564 1.646 18978 6502 1 9 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.860 -0.330 18978 6503 1 9 . 1 1 27 27 GLN C C 27 177.480 177.480 177.148 0.332 18978 6504 1 9 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.425 0.945 18978 6505 1 9 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.775 -0.475 18978 6506 1 9 . 1 1 27 27 GLN H H 27 7.190 7.190 7.633 -0.443 18978 6507 1 9 . 1 1 28 28 GLY N N 28 113.490 113.490 113.955 -0.465 18978 6508 1 9 . 1 1 28 28 GLY C C 28 174.070 174.070 174.539 -0.469 18978 6509 1 9 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.941 0.339 18978 6510 1 9 . 1 1 28 28 GLY H H 28 8.940 8.940 8.740 0.200 18978 6511 1 9 . 1 1 29 29 LYS N N 29 122.060 122.060 122.917 -0.857 18978 6512 1 9 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.664 -0.264 18978 6513 1 9 . 1 1 29 29 LYS C C 29 175.560 175.560 175.389 0.171 18978 6514 1 9 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.316 0.344 18978 6515 1 9 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.077 -1.207 18978 6516 1 9 . 1 1 29 29 LYS H H 29 8.350 8.350 7.723 0.627 18978 6517 1 9 . 1 1 30 30 THR N N 30 118.150 118.150 117.200 0.950 18978 6518 1 9 . 1 1 30 30 THR HA H 30 5.330 5.330 5.005 0.325 18978 6519 1 9 . 1 1 30 30 THR C C 30 174.860 174.860 174.379 0.481 18978 6520 1 9 . 1 1 30 30 THR CA C 30 62.040 62.040 61.737 0.303 18978 6521 1 9 . 1 1 30 30 THR CB C 30 69.420 69.420 69.886 -0.466 18978 6522 1 9 . 1 1 30 30 THR H H 30 8.410 8.410 8.224 0.186 18978 6523 1 9 . 1 1 31 31 VAL N N 31 122.510 122.510 122.032 0.478 18978 6524 1 9 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.641 -0.071 18978 6525 1 9 . 1 1 31 31 VAL C C 31 172.970 172.970 173.945 -0.975 18978 6526 1 9 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.138 -0.688 18978 6527 1 9 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.603 0.277 18978 6528 1 9 . 1 1 31 31 VAL H H 31 9.140 9.140 8.942 0.198 18978 6529 1 9 . 1 1 32 32 ARG N N 32 120.640 120.640 120.766 -0.126 18978 6530 1 9 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.780 -0.030 18978 6531 1 9 . 1 1 32 32 ARG C C 32 175.650 175.650 175.151 0.499 18978 6532 1 9 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.587 -0.937 18978 6533 1 9 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.278 -0.408 18978 6534 1 9 . 1 1 32 32 ARG H H 32 8.420 8.420 8.986 -0.566 18978 6535 1 9 . 1 1 33 33 THR N N 33 118.590 118.590 117.120 1.470 18978 6536 1 9 . 1 1 33 33 THR HA H 33 3.410 3.410 3.859 -0.449 18978 6537 1 9 . 1 1 33 33 THR C C 33 175.020 175.020 175.946 -0.926 18978 6538 1 9 . 1 1 33 33 THR CA C 33 65.660 65.660 64.652 1.008 18978 6539 1 9 . 1 1 33 33 THR CB C 33 69.400 69.400 68.617 0.783 18978 6540 1 9 . 1 1 33 33 THR H H 33 8.370 8.370 8.534 -0.164 18978 6541 1 9 . 1 1 34 34 GLY N N 34 117.350 117.350 115.617 1.733 18978 6542 1 9 . 1 1 34 34 GLY C C 34 174.350 174.350 174.370 -0.020 18978 6543 1 9 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.876 0.124 18978 6544 1 9 . 1 1 34 34 GLY H H 34 9.090 9.090 8.534 0.556 18978 6545 1 9 . 1 1 35 35 ASP N N 35 122.240 122.240 123.436 -1.196 18978 6546 1 9 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.693 -0.223 18978 6547 1 9 . 1 1 35 35 ASP C C 35 174.570 174.570 175.176 -0.606 18978 6548 1 9 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.069 0.501 18978 6549 1 9 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.815 -0.135 18978 6550 1 9 . 1 1 35 35 ASP H H 35 8.010 8.010 7.800 0.210 18978 6551 1 9 . 1 1 36 36 VAL N N 36 119.860 119.860 121.042 -1.182 18978 6552 1 9 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.772 0.178 18978 6553 1 9 . 1 1 36 36 VAL C C 36 176.330 176.330 175.960 0.370 18978 6554 1 9 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.144 0.566 18978 6555 1 9 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.449 -0.549 18978 6556 1 9 . 1 1 36 36 VAL H H 36 8.330 8.330 8.363 -0.033 18978 6557 1 9 . 1 1 37 37 ILE N N 37 124.990 124.990 127.831 -2.841 18978 6558 1 9 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.501 0.129 18978 6559 1 9 . 1 1 37 37 ILE C C 37 174.400 174.400 174.774 -0.374 18978 6560 1 9 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.502 -1.512 18978 6561 1 9 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.164 0.646 18978 6562 1 9 . 1 1 37 37 ILE H H 37 9.160 9.160 8.724 0.436 18978 6563 1 9 . 1 1 38 38 GLY N N 38 112.060 112.060 112.790 -0.730 18978 6564 1 9 . 1 1 38 38 GLY C C 38 172.920 172.920 173.590 -0.670 18978 6565 1 9 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.339 0.241 18978 6566 1 9 . 1 1 38 38 GLY H H 38 8.660 8.660 8.430 0.230 18978 6567 1 9 . 1 1 39 39 ILE N N 39 123.220 123.220 124.687 -1.467 18978 6568 1 9 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.390 -0.020 18978 6569 1 9 . 1 1 39 39 ILE C C 39 174.500 174.500 175.112 -0.612 18978 6570 1 9 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.611 -1.061 18978 6571 1 9 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.910 -0.610 18978 6572 1 9 . 1 1 39 39 ILE H H 39 8.810 8.810 8.110 0.700 18978 6573 1 9 . 1 1 40 40 SER N N 40 121.430 121.430 121.298 0.132 18978 6574 1 9 . 1 1 40 40 SER HA H 40 4.830 4.830 4.858 -0.028 18978 6575 1 9 . 1 1 40 40 SER C C 40 174.130 174.130 173.993 0.137 18978 6576 1 9 . 1 1 40 40 SER CA C 40 57.770 57.770 57.921 -0.151 18978 6577 1 9 . 1 1 40 40 SER CB C 40 63.040 63.040 63.583 -0.543 18978 6578 1 9 . 1 1 40 40 SER H H 40 8.540 8.540 8.699 -0.159 18978 6579 1 9 . 1 1 41 41 ILE N N 41 127.060 127.060 129.421 -2.361 18978 6580 1 9 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.429 -0.139 18978 6581 1 9 . 1 1 41 41 ILE C C 41 175.280 175.280 175.890 -0.610 18978 6582 1 9 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.462 0.788 18978 6583 1 9 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.816 1.024 18978 6584 1 9 . 1 1 41 41 ILE H H 41 8.930 8.930 8.674 0.256 18978 6585 1 9 . 1 1 42 42 LEU N N 42 126.770 126.770 129.270 -2.500 18978 6586 1 9 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.977 -0.087 18978 6587 1 9 . 1 1 42 42 LEU C C 42 177.130 177.130 176.950 0.180 18978 6588 1 9 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.541 0.020 18978 6589 1 9 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.273 -1.903 18978 6590 1 9 . 1 1 42 42 LEU H H 42 9.380 9.380 9.411 -0.031 18978 6591 1 9 . 1 1 43 43 GLY N N 43 103.820 103.820 103.996 -0.176 18978 6592 1 9 . 1 1 43 43 GLY C C 43 173.690 173.690 174.058 -0.368 18978 6593 1 9 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.427 -0.087 18978 6594 1 9 . 1 1 43 43 GLY H H 43 8.310 8.310 8.732 -0.422 18978 6595 1 9 . 1 1 44 44 LYS N N 44 121.160 121.160 120.339 0.821 18978 6596 1 9 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.566 -0.006 18978 6597 1 9 . 1 1 44 44 LYS C C 44 174.550 174.550 174.964 -0.414 18978 6598 1 9 . 1 1 44 44 LYS CA C 44 54.140 54.140 54.481 -0.341 18978 6599 1 9 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.642 -0.022 18978 6600 1 9 . 1 1 44 44 LYS H H 44 7.730 7.730 7.624 0.106 18978 6601 1 9 . 1 1 45 45 GLU N N 45 124.090 124.090 126.193 -2.103 18978 6602 1 9 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.423 -0.143 18978 6603 1 9 . 1 1 45 45 GLU C C 45 175.730 175.730 175.650 0.080 18978 6604 1 9 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.126 0.604 18978 6605 1 9 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.504 -0.434 18978 6606 1 9 . 1 1 45 45 GLU H H 45 8.490 8.490 8.693 -0.203 18978 6607 1 9 . 1 1 46 46 VAL N N 46 129.960 129.960 127.452 2.508 18978 6608 1 9 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.246 -0.216 18978 6609 1 9 . 1 1 46 46 VAL C C 46 174.610 174.610 173.569 1.041 18978 6610 1 9 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.163 1.517 18978 6611 1 9 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.511 0.369 18978 6612 1 9 . 1 1 46 46 VAL H H 46 8.920 8.920 8.325 0.595 18978 6613 1 9 . 1 1 47 47 LYS N N 47 124.790 124.790 128.180 -3.390 18978 6614 1 9 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.630 0.490 18978 6615 1 9 . 1 1 47 47 LYS C C 47 175.380 175.380 175.368 0.012 18978 6616 1 9 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.127 0.073 18978 6617 1 9 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.546 1.124 18978 6618 1 9 . 1 1 47 47 LYS H H 47 7.860 7.860 8.414 -0.554 18978 6619 1 9 . 1 1 48 48 PHE N N 48 118.270 118.270 123.922 -5.652 18978 6620 1 9 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.168 -0.208 18978 6621 1 9 . 1 1 48 48 PHE C C 48 173.950 173.950 174.946 -0.996 18978 6622 1 9 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.994 -0.084 18978 6623 1 9 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.333 1.617 18978 6624 1 9 . 1 1 48 48 PHE H H 48 9.270 9.270 8.703 0.567 18978 6625 1 9 . 1 1 49 49 LYS N N 49 121.960 121.960 123.354 -1.394 18978 6626 1 9 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.863 0.047 18978 6627 1 9 . 1 1 49 49 LYS C C 49 176.230 176.230 175.748 0.482 18978 6628 1 9 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.505 -0.595 18978 6629 1 9 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.793 -0.623 18978 6630 1 9 . 1 1 49 49 LYS H H 49 9.170 9.170 8.630 0.540 18978 6631 1 9 . 1 1 50 50 VAL N N 50 127.140 127.140 128.391 -1.251 18978 6632 1 9 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.941 0.229 18978 6633 1 9 . 1 1 50 50 VAL C C 50 175.500 175.500 176.036 -0.536 18978 6634 1 9 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.854 -1.874 18978 6635 1 9 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.045 -1.555 18978 6636 1 9 . 1 1 50 50 VAL H H 50 9.400 9.400 8.283 1.117 18978 6637 1 9 . 1 1 51 51 VAL N N 51 132.840 132.840 129.088 3.752 18978 6638 1 9 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.859 -0.209 18978 6639 1 9 . 1 1 51 51 VAL C C 51 176.440 176.440 176.177 0.263 18978 6640 1 9 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.523 -0.593 18978 6641 1 9 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.204 -0.074 18978 6642 1 9 . 1 1 51 51 VAL H H 51 8.390 8.390 8.310 0.080 18978 6643 1 9 . 1 1 52 52 GLN N N 52 114.500 114.500 114.367 0.133 18978 6644 1 9 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.538 -0.268 18978 6645 1 9 . 1 1 52 52 GLN C C 52 172.290 172.290 173.557 -1.267 18978 6646 1 9 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.018 1.622 18978 6647 1 9 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.810 -1.180 18978 6648 1 9 . 1 1 52 52 GLN H H 52 7.470 7.470 7.528 -0.058 18978 6649 1 9 . 1 1 53 53 ALA N N 53 131.410 131.410 123.943 7.467 18978 6650 1 9 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.932 -0.102 18978 6651 1 9 . 1 1 53 53 ALA C C 53 174.270 174.270 174.964 -0.694 18978 6652 1 9 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.695 0.105 18978 6653 1 9 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.598 -2.498 18978 6654 1 9 . 1 1 53 53 ALA H H 53 8.200 8.200 8.524 -0.324 18978 6655 1 9 . 1 1 54 54 TYR N N 54 124.140 124.140 124.030 0.110 18978 6656 1 9 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.027 -0.487 18978 6657 1 9 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.425 -1.155 18978 6658 1 9 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.032 -0.672 18978 6659 1 9 . 1 1 54 54 TYR H H 54 8.860 8.860 8.696 0.164 18978 6660 1 9 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.355 -0.235 18978 6661 1 9 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.324 1.126 18978 6662 1 9 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.569 1.601 18978 6663 1 9 . 1 1 56 56 SER N N 56 106.200 106.200 114.943 -8.743 18978 6664 1 9 . 1 1 56 56 SER HA H 56 4.720 4.720 4.735 -0.015 18978 6665 1 9 . 1 1 56 56 SER CA C 56 54.250 54.250 56.249 -1.999 18978 6666 1 9 . 1 1 56 56 SER CB C 56 64.530 64.530 63.738 0.792 18978 6667 1 9 . 1 1 56 56 SER H H 56 7.380 7.380 8.193 -0.813 18978 6668 1 9 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.372 0.508 18978 6669 1 9 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.873 0.117 18978 6670 1 9 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.656 2.564 18978 6671 1 9 . 1 1 58 58 LEU N N 58 120.480 120.480 121.507 -1.027 18978 6672 1 9 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.675 -0.245 18978 6673 1 9 . 1 1 58 58 LEU C C 58 174.570 174.570 174.866 -0.296 18978 6674 1 9 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.264 -0.364 18978 6675 1 9 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.185 -1.975 18978 6676 1 9 . 1 1 58 58 LEU H H 58 8.960 8.960 8.414 0.546 18978 6677 1 9 . 1 1 59 59 ARG N N 59 125.180 125.180 125.701 -0.521 18978 6678 1 9 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.541 0.389 18978 6679 1 9 . 1 1 59 59 ARG C C 59 175.460 175.460 175.499 -0.039 18978 6680 1 9 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.006 -0.966 18978 6681 1 9 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.740 -1.190 18978 6682 1 9 . 1 1 59 59 ARG H H 59 8.130 8.130 8.561 -0.431 18978 6683 1 9 . 1 1 60 60 VAL N N 60 128.170 128.170 127.368 0.802 18978 6684 1 9 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.043 -0.633 18978 6685 1 9 . 1 1 60 60 VAL C C 60 175.460 175.460 174.175 1.285 18978 6686 1 9 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.049 2.161 18978 6687 1 9 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.831 -1.992 18978 6688 1 9 . 1 1 60 60 VAL H H 60 8.450 8.450 8.214 0.236 18978 6689 1 9 . 1 1 61 61 GLU N N 61 127.670 127.670 127.223 0.447 18978 6690 1 9 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.536 0.334 18978 6691 1 9 . 1 1 61 61 GLU C C 61 176.960 176.960 176.442 0.518 18978 6692 1 9 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.021 0.309 18978 6693 1 9 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.162 0.118 18978 6694 1 9 . 1 1 61 61 GLU H H 61 8.620 8.620 7.745 0.875 18978 6695 1 9 . 1 1 62 62 ASP N N 62 121.140 121.140 124.477 -3.337 18978 6696 1 9 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.299 -0.149 18978 6697 1 9 . 1 1 62 62 ASP C C 62 177.460 177.460 177.757 -0.297 18978 6698 1 9 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.663 -0.043 18978 6699 1 9 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.788 -0.429 18978 6700 1 9 . 1 1 62 62 ASP H H 62 8.700 8.700 8.886 -0.186 18978 6701 1 9 . 1 1 63 63 ARG N N 63 112.890 112.890 116.914 -4.024 18978 6702 1 9 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.174 0.106 18978 6703 1 9 . 1 1 63 63 ARG C C 63 176.510 176.510 177.090 -0.580 18978 6704 1 9 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.940 -1.490 18978 6705 1 9 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.454 -0.464 18978 6706 1 9 . 1 1 63 63 ARG H H 63 7.760 7.760 8.046 -0.286 18978 6707 1 9 . 1 1 64 64 THR N N 64 120.650 120.650 116.387 4.263 18978 6708 1 9 . 1 1 64 64 THR HA H 64 4.020 4.020 4.309 -0.289 18978 6709 1 9 . 1 1 64 64 THR C C 64 173.810 173.810 174.235 -0.425 18978 6710 1 9 . 1 1 64 64 THR CA C 64 64.060 64.060 63.634 0.426 18978 6711 1 9 . 1 1 64 64 THR CB C 64 69.350 69.350 69.598 -0.248 18978 6712 1 9 . 1 1 64 64 THR H H 64 7.700 7.700 7.664 0.036 18978 6713 1 9 . 1 1 65 65 LYS N N 65 130.950 130.950 127.126 3.824 18978 6714 1 9 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.476 -0.206 18978 6715 1 9 . 1 1 65 65 LYS C C 65 174.560 174.560 175.214 -0.654 18978 6716 1 9 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.060 0.220 18978 6717 1 9 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.790 -0.670 18978 6718 1 9 . 1 1 65 65 LYS H H 65 8.520 8.520 8.292 0.228 18978 6719 1 9 . 1 1 66 66 ILE N N 66 128.020 128.020 124.967 3.053 18978 6720 1 9 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.784 0.066 18978 6721 1 9 . 1 1 66 66 ILE C C 66 174.650 174.650 176.129 -1.479 18978 6722 1 9 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.200 -0.380 18978 6723 1 9 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.077 -1.797 18978 6724 1 9 . 1 1 66 66 ILE H H 66 8.430 8.430 8.570 -0.140 18978 6725 1 9 . 1 1 67 67 THR N N 67 123.870 123.870 123.166 0.704 18978 6726 1 9 . 1 1 67 67 THR HA H 67 4.470 4.470 4.716 -0.246 18978 6727 1 9 . 1 1 67 67 THR C C 67 172.760 172.760 172.704 0.056 18978 6728 1 9 . 1 1 67 67 THR CA C 67 60.740 60.740 61.188 -0.447 18978 6729 1 9 . 1 1 67 67 THR CB C 67 71.320 71.320 70.793 0.527 18978 6730 1 9 . 1 1 67 67 THR H H 67 8.870 8.870 8.368 0.502 18978 6731 1 9 . 1 1 68 68 LEU N N 68 127.070 127.070 128.767 -1.697 18978 6732 1 9 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.010 0.130 18978 6733 1 9 . 1 1 68 68 LEU C C 68 176.610 176.610 175.863 0.747 18978 6734 1 9 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.660 -0.380 18978 6735 1 9 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.682 -1.083 18978 6736 1 9 . 1 1 68 68 LEU H H 68 8.820 8.820 8.606 0.214 18978 6737 1 9 . 1 1 69 69 VAL N N 69 124.120 124.120 127.347 -3.227 18978 6738 1 9 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.301 -0.041 18978 6739 1 9 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.036 -0.686 18978 6740 1 9 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.704 0.086 18978 6741 1 9 . 1 1 69 69 VAL H H 69 8.800 8.800 8.600 0.200 18978 6742 1 9 . 1 1 70 70 THR N N 70 114.500 114.500 121.593 -7.093 18978 6743 1 9 . 1 1 70 70 THR HA H 70 4.410 4.410 4.231 0.179 18978 6744 1 9 . 1 1 70 70 THR CA C 70 60.800 60.800 63.569 -2.769 18978 6745 1 9 . 1 1 70 70 THR CB C 70 69.650 69.650 69.397 0.253 18978 6746 1 9 . 1 1 70 70 THR H H 70 8.160 8.160 8.485 -0.325 18978 6747 1 9 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.454 -0.524 18978 6748 1 9 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.812 0.708 18978 6749 1 9 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.114 2.026 18978 6750 1 9 . 1 1 73 73 VAL N N 73 117.500 117.500 116.563 0.937 18978 6751 1 9 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.349 0.171 18978 6752 1 9 . 1 1 73 73 VAL C C 73 174.100 174.100 175.208 -1.108 18978 6753 1 9 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.516 -0.506 18978 6754 1 9 . 1 1 73 73 VAL CB C 73 33.330 33.330 33.064 0.266 18978 6755 1 9 . 1 1 73 73 VAL H H 73 7.410 7.410 7.383 0.027 18978 6756 1 9 . 1 1 74 74 ASP N N 74 124.500 124.500 120.948 3.552 18978 6757 1 9 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.892 0.018 18978 6758 1 9 . 1 1 74 74 ASP C C 74 174.000 174.000 175.427 -1.427 18978 6759 1 9 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.619 -0.169 18978 6760 1 9 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.464 1.886 18978 6761 1 9 . 1 1 74 74 ASP H H 74 8.290 8.290 8.347 -0.057 18978 6762 1 9 . 1 1 75 75 VAL N N 75 122.400 122.400 123.178 -0.778 18978 6763 1 9 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.334 0.356 18978 6764 1 9 . 1 1 75 75 VAL C C 75 174.600 174.600 175.319 -0.719 18978 6765 1 9 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.658 -0.459 18978 6766 1 9 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.851 0.479 18978 6767 1 9 . 1 1 75 75 VAL H H 75 7.780 7.780 8.420 -0.640 18978 6768 1 9 . 1 1 76 76 LEU N N 76 130.300 130.300 127.665 2.635 18978 6769 1 9 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.689 0.031 18978 6770 1 9 . 1 1 76 76 LEU C C 76 174.400 174.400 175.865 -1.465 18978 6771 1 9 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.060 -0.430 18978 6772 1 9 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.328 1.631 18978 6773 1 9 . 1 1 76 76 LEU H H 76 9.200 9.200 8.460 0.740 18978 6774 1 9 . 1 1 77 77 GLU N N 77 118.600 118.600 122.904 -4.304 18978 6775 1 9 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.471 0.849 18978 6776 1 9 . 1 1 77 77 GLU C C 77 174.900 174.900 174.943 -0.043 18978 6777 1 9 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.975 -1.885 18978 6778 1 9 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.817 2.383 18978 6779 1 9 . 1 1 77 77 GLU H H 77 8.010 8.010 8.521 -0.511 18978 6780 1 9 . 1 1 78 78 ALA N N 78 124.500 124.500 125.630 -1.130 18978 6781 1 9 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.523 0.117 18978 6782 1 9 . 1 1 78 78 ALA C C 78 175.500 175.500 176.962 -1.462 18978 6783 1 9 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.433 -0.753 18978 6784 1 9 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.343 0.467 18978 6785 1 9 . 1 1 78 78 ALA H H 78 8.800 8.800 8.196 0.604 18978 6786 1 9 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.395 0.085 18978 6787 1 9 . 1 1 79 79 LYS C C 79 174.700 174.700 175.610 -0.910 18978 6788 1 9 . 1 1 79 79 LYS CA C 79 56.100 56.100 55.987 0.113 18978 6789 1 9 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.340 -1.401 18978 6790 1 9 . 1 1 80 80 ILE N N 80 127.300 127.300 124.079 3.221 18978 6791 1 9 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.274 -0.194 18978 6792 1 9 . 1 1 80 80 ILE C C 80 172.700 172.700 174.912 -2.212 18978 6793 1 9 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.322 -0.382 18978 6794 1 9 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.870 2.060 18978 6795 1 9 . 1 1 80 80 ILE H H 80 7.380 7.380 8.456 -1.076 18978 6796 1 9 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.462 -0.182 18978 6797 1 9 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.108 0.012 18978 6798 1 9 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.151 -0.401 18978 6799 1 9 . 1 1 82 82 GLY N N 82 113.000 113.000 113.762 -0.762 18978 6800 1 9 . 1 1 82 82 GLY C C 82 174.600 174.600 174.049 0.551 18978 6801 1 9 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.611 2.259 18978 6802 1 9 . 1 1 82 82 GLY H H 82 8.210 8.210 8.717 -0.507 18978 6803 1 9 . 1 1 83 83 ILE N N 83 121.200 121.200 118.962 2.238 18978 6804 1 9 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.886 -0.546 18978 6805 1 9 . 1 1 83 83 ILE C C 83 175.000 175.000 176.275 -1.275 18978 6806 1 9 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.041 2.669 18978 6807 1 9 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.012 -0.522 18978 6808 1 9 . 1 1 83 83 ILE H H 83 8.350 8.350 8.077 0.273 18978 6809 1 9 . 1 1 84 84 LYS N N 84 129.400 129.400 129.247 0.153 18978 6810 1 9 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.368 0.122 18978 6811 1 9 . 1 1 84 84 LYS C C 84 175.000 175.000 176.306 -1.306 18978 6812 1 9 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.853 -0.783 18978 6813 1 9 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.338 0.152 18978 6814 1 9 . 1 1 84 84 LYS H H 84 9.160 9.160 8.801 0.359 18978 6815 1 9 . 1 1 85 85 ASP N N 85 117.500 117.500 117.538 -0.038 18978 6816 1 9 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.894 -0.114 18978 6817 1 9 . 1 1 85 85 ASP C C 85 173.200 173.200 173.752 -0.552 18978 6818 1 9 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.911 -0.821 18978 6819 1 9 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.321 -0.831 18978 6820 1 9 . 1 1 85 85 ASP H H 85 7.990 7.990 7.881 0.109 18978 6821 1 9 . 1 1 86 86 VAL N N 86 119.400 119.400 122.222 -2.822 18978 6822 1 9 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.538 0.632 18978 6823 1 9 . 1 1 86 86 VAL C C 86 172.500 172.500 174.973 -2.473 18978 6824 1 9 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.920 -1.171 18978 6825 1 9 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.369 0.791 18978 6826 1 9 . 1 1 86 86 VAL H H 86 8.210 8.210 8.399 -0.189 18978 6827 1 9 . 1 1 87 87 ILE N N 87 127.100 127.100 127.489 -0.389 18978 6828 1 9 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.463 -0.253 18978 6829 1 9 . 1 1 87 87 ILE C C 87 173.600 173.600 174.102 -0.502 18978 6830 1 9 . 1 1 87 87 ILE CA C 87 60.470 60.470 58.948 1.522 18978 6831 1 9 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.366 2.124 18978 6832 1 9 . 1 1 87 87 ILE H H 87 9.190 9.190 8.739 0.451 18978 6833 1 9 . 1 1 88 88 LEU N N 88 125.700 125.700 128.640 -2.940 18978 6834 1 9 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.665 0.375 18978 6835 1 9 . 1 1 88 88 LEU C C 88 174.500 174.500 175.268 -0.768 18978 6836 1 9 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.161 -1.222 18978 6837 1 9 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.698 -1.188 18978 6838 1 9 . 1 1 88 88 LEU H H 88 7.840 7.840 8.427 -0.587 18978 6839 1 9 . 1 1 89 89 ASP N N 89 127.800 127.800 125.037 2.763 18978 6840 1 9 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.981 -0.211 18978 6841 1 9 . 1 1 89 89 ASP C C 89 174.100 174.100 176.224 -2.124 18978 6842 1 9 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.401 0.219 18978 6843 1 9 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.558 -0.488 18978 6844 1 9 . 1 1 89 89 ASP H H 89 8.280 8.280 8.713 -0.433 18978 6845 1 9 . 1 1 90 90 GLU N N 90 122.400 122.400 123.261 -0.861 18978 6846 1 9 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.057 -0.207 18978 6847 1 9 . 1 1 90 90 GLU CA C 90 58.830 58.830 58.994 -0.164 18978 6848 1 9 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.903 -0.493 18978 6849 1 9 . 1 1 90 90 GLU H H 90 8.980 8.980 8.698 0.282 18978 6850 1 9 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.915 -0.635 18978 6851 1 9 . 1 1 91 91 ASN C C 91 173.600 173.600 173.669 -0.069 18978 6852 1 9 . 1 1 91 91 ASN CA C 91 54.160 54.160 53.066 1.094 18978 6853 1 9 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.373 -0.473 18978 6854 1 9 . 1 1 92 92 LEU N N 92 117.400 117.400 120.060 -2.660 18978 6855 1 9 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.713 0.317 18978 6856 1 9 . 1 1 92 92 LEU C C 92 174.700 174.700 174.144 0.556 18978 6857 1 9 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.687 -0.987 18978 6858 1 9 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.122 0.128 18978 6859 1 9 . 1 1 92 92 LEU H H 92 7.110 7.110 7.848 -0.738 18978 6860 1 9 . 1 1 93 93 ILE N N 93 121.300 121.300 121.478 -0.178 18978 6861 1 9 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.526 -0.076 18978 6862 1 9 . 1 1 93 93 ILE C C 93 174.000 174.000 174.267 -0.267 18978 6863 1 9 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.789 0.180 18978 6864 1 9 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.697 -0.067 18978 6865 1 9 . 1 1 93 93 ILE H H 93 8.450 8.450 8.494 -0.044 18978 6866 1 9 . 1 1 94 94 VAL N N 94 128.000 128.000 128.012 -0.012 18978 6867 1 9 . 1 1 94 94 VAL HA H 94 4.840 4.840 5.026 -0.186 18978 6868 1 9 . 1 1 94 94 VAL C C 94 174.000 174.000 174.686 -0.686 18978 6869 1 9 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.351 0.749 18978 6870 1 9 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.579 -1.459 18978 6871 1 9 . 1 1 94 94 VAL H H 94 8.970 8.970 8.446 0.524 18978 6872 1 9 . 1 1 95 95 VAL N N 95 127.700 127.700 128.034 -0.334 18978 6873 1 9 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.543 0.127 18978 6874 1 9 . 1 1 95 95 VAL C C 95 173.300 173.300 174.640 -1.340 18978 6875 1 9 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.500 -0.660 18978 6876 1 9 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.925 -0.685 18978 6877 1 9 . 1 1 95 95 VAL H H 95 9.420 9.420 8.586 0.834 18978 6878 1 9 . 1 1 96 96 ILE N N 96 126.000 126.000 127.140 -1.140 18978 6879 1 9 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.997 0.223 18978 6880 1 9 . 1 1 96 96 ILE C C 96 177.100 177.100 175.525 1.575 18978 6881 1 9 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.668 -0.098 18978 6882 1 9 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.243 0.507 18978 6883 1 9 . 1 1 96 96 ILE H H 96 8.460 8.460 8.748 -0.288 18978 6884 1 9 . 1 1 97 97 THR N N 97 118.100 118.100 118.378 -0.278 18978 6885 1 9 . 1 1 97 97 THR HA H 97 5.250 5.250 4.869 0.381 18978 6886 1 9 . 1 1 97 97 THR C C 97 176.300 176.300 176.130 0.170 18978 6887 1 9 . 1 1 97 97 THR CA C 97 59.650 59.650 59.651 -0.001 18978 6888 1 9 . 1 1 97 97 THR CB C 97 71.890 71.890 71.170 0.720 18978 6889 1 9 . 1 1 97 97 THR H H 97 9.050 9.050 8.591 0.459 18978 6890 1 9 . 1 1 98 98 GLU N N 98 120.100 120.100 123.529 -3.429 18978 6891 1 9 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.988 0.132 18978 6892 1 9 . 1 1 98 98 GLU C C 98 176.200 176.200 177.477 -1.277 18978 6893 1 9 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.796 -1.906 18978 6894 1 9 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.216 0.314 18978 6895 1 9 . 1 1 98 98 GLU H H 98 9.220 9.220 8.406 0.814 18978 6896 1 9 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.352 -0.202 18978 6897 1 9 . 1 1 99 99 GLU C C 99 174.200 174.200 175.524 -1.324 18978 6898 1 9 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.050 2.160 18978 6899 1 9 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.859 1.011 18978 6900 1 9 . 1 1 100 100 ASN N N 100 113.200 113.200 114.909 -1.709 18978 6901 1 9 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.321 -0.211 18978 6902 1 9 . 1 1 100 100 ASN C C 100 173.700 173.700 173.293 0.407 18978 6903 1 9 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.449 -0.049 18978 6904 1 9 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.597 -0.737 18978 6905 1 9 . 1 1 100 100 ASN H H 100 8.020 8.020 8.255 -0.235 18978 6906 1 9 . 1 1 101 101 GLU N N 101 115.500 115.500 118.082 -2.582 18978 6907 1 9 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.804 0.346 18978 6908 1 9 . 1 1 101 101 GLU C C 101 174.900 174.900 174.252 0.648 18978 6909 1 9 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.044 0.006 18978 6910 1 9 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.294 -1.894 18978 6911 1 9 . 1 1 101 101 GLU H H 101 7.230 7.230 7.378 -0.148 18978 6912 1 9 . 1 1 102 102 VAL N N 102 122.700 122.700 124.241 -1.541 18978 6913 1 9 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.739 0.181 18978 6914 1 9 . 1 1 102 102 VAL C C 102 173.700 173.700 174.277 -0.577 18978 6915 1 9 . 1 1 102 102 VAL CA C 102 60.920 60.920 60.703 0.217 18978 6916 1 9 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.212 0.598 18978 6917 1 9 . 1 1 102 102 VAL H H 102 8.710 8.710 8.748 -0.038 18978 6918 1 9 . 1 1 103 103 LEU N N 103 127.300 127.300 128.628 -1.328 18978 6919 1 9 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.906 -0.606 18978 6920 1 9 . 1 1 103 103 LEU C C 103 174.500 174.500 175.403 -0.903 18978 6921 1 9 . 1 1 103 103 LEU CA C 103 53.820 53.820 54.099 -0.279 18978 6922 1 9 . 1 1 103 103 LEU H H 103 9.140 9.140 8.501 0.639 18978 6923 1 9 . 1 1 104 104 ILE N N 104 122.200 122.200 121.717 0.483 18978 6924 1 9 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.707 0.033 18978 6925 1 9 . 1 1 104 104 ILE C C 104 173.600 173.600 174.579 -0.979 18978 6926 1 9 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.539 -0.319 18978 6927 1 9 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.372 -0.222 18978 6928 1 9 . 1 1 104 104 ILE H H 104 8.470 8.470 8.334 0.136 18978 6929 1 9 . 1 1 105 105 PHE N N 105 126.600 126.600 125.792 0.808 18978 6930 1 9 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.672 -0.102 18978 6931 1 9 . 1 1 105 105 PHE C C 105 175.800 175.800 175.478 0.322 18978 6932 1 9 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.956 -0.506 18978 6933 1 9 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.294 1.376 18978 6934 1 9 . 1 1 105 105 PHE H H 105 9.330 9.330 9.130 0.200 18978 6935 1 9 . 1 1 106 106 ASN N N 106 116.000 116.000 118.245 -2.245 18978 6936 1 9 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.071 0.399 18978 6937 1 9 . 1 1 106 106 ASN C C 106 176.700 176.700 176.998 -0.298 18978 6938 1 9 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.178 -0.678 18978 6939 1 9 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.534 -0.934 18978 6940 1 9 . 1 1 106 106 ASN H H 106 7.710 7.710 8.252 -0.542 18978 6941 1 9 . 1 1 107 107 GLN N N 107 114.500 114.500 119.530 -5.030 18978 6942 1 9 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.020 -0.130 18978 6943 1 9 . 1 1 107 107 GLN C C 107 173.700 173.700 175.924 -2.224 18978 6944 1 9 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.881 -1.371 18978 6945 1 9 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.507 -1.417 18978 6946 1 9 . 1 1 107 107 GLN H H 107 8.040 8.040 8.826 -0.786 18978 6947 1 9 . 1 1 108 108 ASN N N 108 115.800 115.800 115.467 0.333 18978 6948 1 9 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.645 0.025 18978 6949 1 9 . 1 1 108 108 ASN C C 108 173.600 173.600 174.969 -1.369 18978 6950 1 9 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.896 -0.806 18978 6951 1 9 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.415 0.445 18978 6952 1 9 . 1 1 108 108 ASN H H 108 7.440 7.440 8.164 -0.724 18978 6953 1 9 . 1 1 109 109 LEU N N 109 115.200 115.200 117.954 -2.754 18978 6954 1 9 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.827 -0.297 18978 6955 1 9 . 1 1 109 109 LEU C C 109 174.700 174.700 175.416 -0.716 18978 6956 1 9 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.011 -0.241 18978 6957 1 9 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.212 -0.513 18978 6958 1 9 . 1 1 109 109 LEU H H 109 8.220 8.220 7.735 0.485 18978 6959 1 9 . 1 1 110 110 GLU N N 110 117.600 117.600 118.659 -1.059 18978 6960 1 9 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.674 -0.254 18978 6961 1 9 . 1 1 110 110 GLU C C 110 175.800 175.800 175.938 -0.138 18978 6962 1 9 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.858 0.322 18978 6963 1 9 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.129 -2.309 18978 6964 1 9 . 1 1 110 110 GLU H H 110 7.550 7.550 8.193 -0.643 18978 6965 1 9 . 1 1 111 111 GLU N N 111 125.900 125.900 124.931 0.969 18978 6966 1 9 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.058 -0.228 18978 6967 1 9 . 1 1 111 111 GLU C C 111 175.400 175.400 176.006 -0.606 18978 6968 1 9 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.916 -0.276 18978 6969 1 9 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.800 0.820 18978 6970 1 9 . 1 1 111 111 GLU H H 111 8.350 8.350 8.980 -0.630 18978 6971 1 9 . 1 1 112 112 LEU N N 112 128.000 128.000 128.399 -0.399 18978 6972 1 9 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.433 -0.163 18978 6973 1 9 . 1 1 112 112 LEU C C 112 176.100 176.100 176.511 -0.411 18978 6974 1 9 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.395 -0.365 18978 6975 1 9 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.938 -1.168 18978 6976 1 9 . 1 1 112 112 LEU H H 112 9.110 9.110 8.356 0.754 18978 6977 1 9 . 1 1 113 113 TYR N N 113 116.300 116.300 119.642 -3.342 18978 6978 1 9 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.658 -0.328 18978 6979 1 9 . 1 1 113 113 TYR C C 113 171.700 171.700 172.939 -1.239 18978 6980 1 9 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.351 0.609 18978 6981 1 9 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.072 -0.352 18978 6982 1 9 . 1 1 113 113 TYR H H 113 7.250 7.250 7.460 -0.210 18978 6983 1 9 . 1 1 114 114 ARG N N 114 126.200 126.200 124.375 1.825 18978 6984 1 9 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.029 -0.009 18978 6985 1 9 . 1 1 114 114 ARG C C 114 173.500 173.500 174.145 -0.645 18978 6986 1 9 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.564 0.056 18978 6987 1 9 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.583 0.867 18978 6988 1 9 . 1 1 114 114 ARG H H 114 6.560 6.560 7.805 -1.245 18978 6989 1 9 . 1 1 115 115 GLY N N 115 111.300 111.300 110.512 0.788 18978 6990 1 9 . 1 1 115 115 GLY C C 115 178.100 178.100 171.214 6.886 18978 6991 1 9 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.862 -0.452 18978 6992 1 9 . 1 1 115 115 GLY H H 115 8.320 8.320 8.418 -0.098 18978 6993 1 9 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.547 0.223 18978 6994 1 9 . 1 1 116 116 LYS C C 116 174.400 174.400 174.757 -0.357 18978 6995 1 9 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.088 0.102 18978 6996 1 9 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.210 -0.870 18978 6997 1 9 . 1 1 117 117 PHE N N 117 125.800 125.800 123.232 2.568 18978 6998 1 9 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.851 -0.301 18978 6999 1 9 . 1 1 117 117 PHE C C 117 174.000 174.000 176.128 -2.128 18978 7000 1 9 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.784 0.066 18978 7001 1 9 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.775 0.385 18978 7002 1 9 . 1 1 117 117 PHE H H 117 8.090 8.090 8.507 -0.417 18978 7003 1 9 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.853 -0.193 18978 7004 1 9 . 1 1 119 119 ASN C C 119 173.500 173.500 174.457 -0.957 18978 7005 1 9 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.766 -0.285 18978 7006 1 9 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.617 -0.427 18978 7007 1 9 . 1 1 120 120 LEU N N 120 120.200 120.200 121.967 -1.767 18978 7008 1 9 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.040 -0.210 18978 7009 1 9 . 1 1 120 120 LEU C C 120 175.000 175.000 175.706 -0.706 18978 7010 1 9 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.449 -0.179 18978 7011 1 9 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.963 0.807 18978 7012 1 9 . 1 1 120 120 LEU H H 120 6.900 6.900 7.643 -0.743 18978 7013 1 9 . 1 1 121 121 ASN N N 121 124.200 124.200 124.702 -0.502 18978 7014 1 9 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.842 0.048 18978 7015 1 9 . 1 1 121 121 ASN C C 121 174.300 174.300 175.373 -1.073 18978 7016 1 9 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.514 -0.634 18978 7017 1 9 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.766 -0.326 18978 7018 1 9 . 1 1 121 121 ASN H H 121 8.900 8.900 8.535 0.365 18978 7019 1 9 . 1 1 122 122 LYS N N 122 115.100 115.100 119.447 -4.347 18978 7020 1 9 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.629 -0.159 18978 7021 1 9 . 1 1 122 122 LYS C C 122 172.500 172.500 174.049 -1.549 18978 7022 1 9 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.588 0.112 18978 7023 1 9 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.790 -1.130 18978 7024 1 9 . 1 1 122 122 LYS H H 122 7.410 7.410 7.782 -0.372 18978 7025 1 9 . 1 1 123 123 VAL N N 123 121.500 121.500 121.619 -0.119 18978 7026 1 9 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.459 0.361 18978 7027 1 9 . 1 1 123 123 VAL C C 123 173.400 173.400 175.066 -1.666 18978 7028 1 9 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.331 -0.641 18978 7029 1 9 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.600 0.550 18978 7030 1 9 . 1 1 123 123 VAL H H 123 7.730 7.730 8.379 -0.649 18978 7031 1 9 . 1 1 124 124 LEU N N 124 126.600 126.600 130.123 -3.523 18978 7032 1 9 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.831 -0.111 18978 7033 1 9 . 1 1 124 124 LEU C C 124 174.200 174.200 174.856 -0.656 18978 7034 1 9 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.362 -0.982 18978 7035 1 9 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.619 -0.509 18978 7036 1 9 . 1 1 124 124 LEU H H 124 9.060 9.060 8.628 0.432 18978 7037 1 9 . 1 1 125 125 VAL N N 125 120.300 120.300 118.108 2.192 18978 7038 1 9 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.787 -0.117 18978 7039 1 9 . 1 1 125 125 VAL C C 125 174.700 174.700 174.944 -0.244 18978 7040 1 9 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.160 0.130 18978 7041 1 9 . 1 1 125 125 VAL CB C 125 34.250 34.250 35.320 -1.070 18978 7042 1 9 . 1 1 125 125 VAL H H 125 8.030 8.030 8.276 -0.246 18978 7043 1 9 . 1 1 126 126 ARG N N 126 127.100 127.100 123.492 3.608 18978 7044 1 9 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.787 -0.317 18978 7045 1 9 . 1 1 126 126 ARG C C 126 174.400 174.400 175.427 -1.027 18978 7046 1 9 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.787 1.043 18978 7047 1 9 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.519 -1.219 18978 7048 1 9 . 1 1 126 126 ARG H H 126 8.630 8.630 8.402 0.228 18978 7049 1 9 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.238 0.052 18978 7050 1 9 . 1 1 127 127 ASN C C 127 172.600 172.600 174.712 -2.112 18978 7051 1 9 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.005 0.055 18978 7052 1 9 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.608 -0.658 18978 7053 1 9 . 1 1 128 128 ASP N N 128 117.600 117.600 120.114 -2.514 18978 7054 1 9 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.657 -0.207 18978 7055 1 9 . 1 1 128 128 ASP C C 128 174.000 174.000 174.741 -0.741 18978 7056 1 9 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.647 -0.127 18978 7057 1 9 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.543 -1.733 18978 7058 1 9 . 1 1 128 128 ASP H H 128 8.560 8.560 8.354 0.206 18978 7059 1 9 . 1 1 129 129 LEU N N 129 121.500 121.500 122.172 -0.672 18978 7060 1 9 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.666 0.404 18978 7061 1 9 . 1 1 129 129 LEU C C 129 174.800 174.800 174.162 0.638 18978 7062 1 9 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.617 -0.817 18978 7063 1 9 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.152 -0.032 18978 7064 1 9 . 1 1 129 129 LEU H H 129 7.730 7.730 7.859 -0.129 18978 7065 1 9 . 1 1 130 130 VAL N N 130 120.600 120.600 126.012 -5.412 18978 7066 1 9 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.452 0.258 18978 7067 1 9 . 1 1 130 130 VAL C C 130 173.500 173.500 174.318 -0.818 18978 7068 1 9 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.092 -0.572 18978 7069 1 9 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.215 -0.465 18978 7070 1 9 . 1 1 130 130 VAL H H 130 8.410 8.410 8.173 0.237 18978 7071 1 9 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.684 -0.084 18978 7072 1 9 . 1 1 131 131 VAL CA C 131 60.590 60.590 61.172 -0.583 18978 7073 1 9 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.658 -1.798 18978 7074 1 9 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.398 -0.098 18978 7075 1 9 . 1 1 132 132 ILE C C 132 174.900 174.900 174.284 0.616 18978 7076 1 9 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.263 0.217 18978 7077 1 9 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.636 -0.586 18978 7078 1 9 . 1 1 133 133 ILE N N 133 126.200 126.200 126.987 -0.787 18978 7079 1 9 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.459 0.211 18978 7080 1 9 . 1 1 133 133 ILE C C 133 174.200 174.200 174.057 0.143 18978 7081 1 9 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.547 1.383 18978 7082 1 9 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.222 0.898 18978 7083 1 9 . 1 1 133 133 ILE H H 133 8.490 8.490 8.578 -0.088 18978 7084 1 9 . 1 1 134 134 ASP N N 134 130.100 130.100 125.612 4.488 18978 7085 1 9 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.167 -0.217 18978 7086 1 9 . 1 1 134 134 ASP C C 134 174.600 174.600 176.385 -1.785 18978 7087 1 9 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.097 0.293 18978 7088 1 9 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.808 -0.438 18978 7089 1 9 . 1 1 134 134 ASP H H 134 8.360 8.360 8.162 0.198 18978 7090 1 9 . 1 1 135 135 GLU N N 135 118.000 118.000 121.597 -3.597 18978 7091 1 9 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.916 0.294 18978 7092 1 9 . 1 1 135 135 GLU C C 135 176.200 176.200 177.113 -0.913 18978 7093 1 9 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.440 -0.690 18978 7094 1 9 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.802 0.488 18978 7095 1 9 . 1 1 135 135 GLU H H 135 7.840 7.840 8.584 -0.744 18978 7096 1 9 . 1 1 136 136 GLN N N 136 115.200 115.200 114.750 0.450 18978 7097 1 9 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.303 0.567 18978 7098 1 9 . 1 1 136 136 GLN C C 136 174.900 174.900 175.882 -0.982 18978 7099 1 9 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.059 -0.559 18978 7100 1 9 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.916 1.014 18978 7101 1 9 . 1 1 136 136 GLN H H 136 8.860 8.860 8.432 0.428 18978 7102 1 9 . 1 1 137 137 LYS N N 137 118.100 118.100 117.198 0.902 18978 7103 1 9 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.554 0.356 18978 7104 1 9 . 1 1 137 137 LYS C C 137 172.400 172.400 173.562 -1.162 18978 7105 1 9 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.036 0.864 18978 7106 1 9 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.586 -0.046 18978 7107 1 9 . 1 1 137 137 LYS H H 137 8.260 8.260 7.918 0.342 18978 7108 1 9 . 1 1 138 138 LEU N N 138 123.500 123.500 122.716 0.784 18978 7109 1 9 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.740 0.120 18978 7110 1 9 . 1 1 138 138 LEU C C 138 174.400 174.400 175.985 -1.585 18978 7111 1 9 . 1 1 138 138 LEU CA C 138 53.510 53.510 54.040 -0.530 18978 7112 1 9 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.610 0.350 18978 7113 1 9 . 1 1 138 138 LEU H H 138 8.410 8.410 8.482 -0.072 18978 7114 1 9 . 1 1 139 139 THR N N 139 123.600 123.600 123.209 0.391 18978 7115 1 9 . 1 1 139 139 THR HA H 139 4.830 4.830 4.597 0.233 18978 7116 1 9 . 1 1 139 139 THR C C 139 171.400 171.400 172.508 -1.108 18978 7117 1 9 . 1 1 139 139 THR CA C 139 62.240 62.240 61.640 0.600 18978 7118 1 9 . 1 1 139 139 THR CB C 139 70.120 70.120 70.190 -0.070 18978 7119 1 9 . 1 1 139 139 THR H H 139 8.820 8.820 8.320 0.500 18978 7120 1 9 . 1 1 140 140 LEU N N 140 130.500 130.500 128.772 1.728 18978 7121 1 9 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.618 0.412 18978 7122 1 9 . 1 1 140 140 LEU C C 140 173.700 173.700 175.203 -1.503 18978 7123 1 9 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.295 -0.916 18978 7124 1 9 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.388 0.502 18978 7125 1 9 . 1 1 140 140 LEU H H 140 9.250 9.250 8.589 0.661 18978 7126 1 9 . 1 1 141 141 ILE N N 141 127.300 127.300 128.141 -0.841 18978 7127 1 9 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.296 0.364 18978 7128 1 9 . 1 1 141 141 ILE C C 141 174.200 174.200 173.970 0.230 18978 7129 1 9 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.391 -0.881 18978 7130 1 9 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.018 -1.168 18978 7131 1 9 . 1 1 141 141 ILE H H 141 9.140 9.140 8.540 0.600 18978 7132 1 9 . 1 1 142 142 ARG N N 142 126.500 126.500 128.598 -2.098 18978 7133 1 9 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.604 0.276 18978 7134 1 9 . 1 1 142 142 ARG C C 142 175.100 175.100 176.054 -0.954 18978 7135 1 9 . 1 1 142 142 ARG CA C 142 54.540 54.540 54.925 -0.385 18978 7136 1 9 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.428 0.072 18978 7137 1 9 . 1 1 142 142 ARG H H 142 8.550 8.550 8.670 -0.120 18978 7138 1 10 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.250 -0.250 18978 7139 1 10 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.733 0.417 18978 7140 1 10 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.224 0.166 18978 7141 1 10 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.939 -3.209 18978 7142 1 10 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.218 -0.178 18978 7143 1 10 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.946 -0.066 18978 7144 1 10 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.002 0.108 18978 7145 1 10 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.374 -0.614 18978 7146 1 10 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.182 -0.312 18978 7147 1 10 . 1 1 0 0 ILE N N 0 125.570 125.570 126.113 -0.543 18978 7148 1 10 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.461 -0.371 18978 7149 1 10 . 1 1 0 0 ILE C C 0 175.850 175.850 175.525 0.325 18978 7150 1 10 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.504 0.296 18978 7151 1 10 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.099 -0.629 18978 7152 1 10 . 1 1 0 0 ILE H H 0 8.230 8.230 8.229 0.001 18978 7153 1 10 . 1 1 1 1 MET N N 1 125.930 125.930 124.172 1.758 18978 7154 1 10 . 1 1 1 1 MET HA H 1 4.540 4.540 4.855 -0.315 18978 7155 1 10 . 1 1 1 1 MET C C 1 174.830 174.830 175.589 -0.759 18978 7156 1 10 . 1 1 1 1 MET CA C 1 54.790 54.790 55.358 -0.568 18978 7157 1 10 . 1 1 1 1 MET CB C 1 32.640 32.640 33.501 -0.861 18978 7158 1 10 . 1 1 1 1 MET H H 1 8.370 8.370 8.372 -0.002 18978 7159 1 10 . 1 1 2 2 SER N N 2 116.400 116.400 117.832 -1.432 18978 7160 1 10 . 1 1 2 2 SER HA H 2 5.030 5.030 5.142 -0.112 18978 7161 1 10 . 1 1 2 2 SER C C 2 174.330 174.330 173.581 0.749 18978 7162 1 10 . 1 1 2 2 SER CA C 2 57.320 57.320 57.222 0.097 18978 7163 1 10 . 1 1 2 2 SER CB C 2 64.790 64.790 66.136 -1.346 18978 7164 1 10 . 1 1 2 2 SER H H 2 7.990 7.990 8.507 -0.517 18978 7165 1 10 . 1 1 3 3 GLU N N 3 123.670 123.670 122.793 0.877 18978 7166 1 10 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.439 -0.189 18978 7167 1 10 . 1 1 3 3 GLU C C 3 172.980 172.980 174.179 -1.199 18978 7168 1 10 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.681 -0.291 18978 7169 1 10 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.468 -0.557 18978 7170 1 10 . 1 1 3 3 GLU H H 3 9.430 9.430 8.643 0.787 18978 7171 1 10 . 1 1 4 4 LEU N N 4 125.350 125.350 125.432 -0.082 18978 7172 1 10 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.035 -0.165 18978 7173 1 10 . 1 1 4 4 LEU C C 4 174.000 174.000 174.491 -0.491 18978 7174 1 10 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.902 -0.882 18978 7175 1 10 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.157 -0.117 18978 7176 1 10 . 1 1 4 4 LEU H H 4 8.930 8.930 8.545 0.385 18978 7177 1 10 . 1 1 5 5 LYS N N 5 124.640 124.640 126.275 -1.635 18978 7178 1 10 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.991 0.369 18978 7179 1 10 . 1 1 5 5 LYS C C 5 175.660 175.660 175.313 0.347 18978 7180 1 10 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.154 -0.214 18978 7181 1 10 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.029 0.251 18978 7182 1 10 . 1 1 5 5 LYS H H 5 8.840 8.840 8.393 0.447 18978 7183 1 10 . 1 1 6 6 LEU N N 6 123.460 123.460 124.947 -1.487 18978 7184 1 10 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.172 0.258 18978 7185 1 10 . 1 1 6 6 LEU C C 6 174.630 174.630 175.234 -0.604 18978 7186 1 10 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.461 -0.561 18978 7187 1 10 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.486 1.424 18978 7188 1 10 . 1 1 6 6 LEU H H 6 8.820 8.820 8.309 0.511 18978 7189 1 10 . 1 1 7 7 LYS N N 7 122.230 122.230 121.729 0.501 18978 7190 1 10 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.119 0.371 18978 7191 1 10 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.916 -0.646 18978 7192 1 10 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.035 0.465 18978 7193 1 10 . 1 1 7 7 LYS H H 7 9.110 9.110 8.532 0.578 18978 7194 1 10 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.656 -0.556 18978 7195 1 10 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.288 0.152 18978 7196 1 10 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.798 -2.158 18978 7197 1 10 . 1 1 9 9 LEU N N 9 123.250 123.250 122.674 0.576 18978 7198 1 10 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.390 -0.070 18978 7199 1 10 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.473 1.207 18978 7200 1 10 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.078 -1.318 18978 7201 1 10 . 1 1 9 9 LEU H H 9 8.490 8.490 7.913 0.577 18978 7202 1 10 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.470 0.060 18978 7203 1 10 . 1 1 10 10 PRO CA C 10 62.880 62.880 61.994 0.886 18978 7204 1 10 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.337 -0.918 18978 7205 1 10 . 1 1 11 11 LYS N N 11 119.160 119.160 121.895 -2.735 18978 7206 1 10 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.335 -0.225 18978 7207 1 10 . 1 1 11 11 LYS C C 11 175.680 175.680 175.802 -0.122 18978 7208 1 10 . 1 1 11 11 LYS CA C 11 56.210 56.210 55.920 0.290 18978 7209 1 10 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.055 -0.395 18978 7210 1 10 . 1 1 11 11 LYS H H 11 8.180 8.180 8.329 -0.149 18978 7211 1 10 . 1 1 12 12 VAL N N 12 121.820 121.820 123.212 -1.392 18978 7212 1 10 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.298 -0.018 18978 7213 1 10 . 1 1 12 12 VAL C C 12 173.690 173.690 174.678 -0.988 18978 7214 1 10 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.219 -1.389 18978 7215 1 10 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.350 0.200 18978 7216 1 10 . 1 1 12 12 VAL H H 12 7.530 7.530 7.837 -0.307 18978 7217 1 10 . 1 1 13 13 GLU N N 13 125.610 125.610 124.096 1.514 18978 7218 1 10 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.450 -0.120 18978 7219 1 10 . 1 1 13 13 GLU C C 13 175.390 175.390 175.361 0.029 18978 7220 1 10 . 1 1 13 13 GLU CA C 13 55.220 55.220 56.014 -0.794 18978 7221 1 10 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.177 -0.207 18978 7222 1 10 . 1 1 13 13 GLU H H 13 8.270 8.270 8.483 -0.213 18978 7223 1 10 . 1 1 14 14 LEU N N 14 125.880 125.880 126.510 -0.630 18978 7224 1 10 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.540 -0.020 18978 7225 1 10 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.219 -0.559 18978 7226 1 10 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.108 -0.358 18978 7227 1 10 . 1 1 14 14 LEU H H 14 8.480 8.480 8.269 0.211 18978 7228 1 10 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.624 0.136 18978 7229 1 10 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.953 -0.623 18978 7230 1 10 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.361 -0.301 18978 7231 1 10 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.237 0.153 18978 7232 1 10 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.101 -0.551 18978 7233 1 10 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.851 -0.081 18978 7234 1 10 . 1 1 17 17 ASP N N 17 115.820 115.820 115.445 0.375 18978 7235 1 10 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.730 -0.110 18978 7236 1 10 . 1 1 17 17 ASP C C 17 177.100 177.100 176.941 0.159 18978 7237 1 10 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.094 -0.204 18978 7238 1 10 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.054 0.066 18978 7239 1 10 . 1 1 17 17 ASP H H 17 8.560 8.560 8.719 -0.159 18978 7240 1 10 . 1 1 18 18 PHE N N 18 119.610 119.610 122.241 -2.631 18978 7241 1 10 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.137 0.043 18978 7242 1 10 . 1 1 18 18 PHE C C 18 176.740 176.740 176.596 0.144 18978 7243 1 10 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.801 -0.781 18978 7244 1 10 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.409 -0.179 18978 7245 1 10 . 1 1 18 18 PHE H H 18 7.940 7.940 7.847 0.093 18978 7246 1 10 . 1 1 19 19 VAL N N 19 116.370 116.370 117.813 -1.443 18978 7247 1 10 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.590 -0.240 18978 7248 1 10 . 1 1 19 19 VAL C C 19 176.400 176.400 177.927 -1.527 18978 7249 1 10 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.823 -0.313 18978 7250 1 10 . 1 1 19 19 VAL CB C 19 31.020 31.020 30.831 0.189 18978 7251 1 10 . 1 1 19 19 VAL H H 19 8.010 8.010 8.181 -0.171 18978 7252 1 10 . 1 1 20 20 ASP N N 20 119.190 119.190 119.878 -0.688 18978 7253 1 10 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.347 -0.037 18978 7254 1 10 . 1 1 20 20 ASP C C 20 178.360 178.360 179.033 -0.673 18978 7255 1 10 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.461 -0.351 18978 7256 1 10 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.188 0.262 18978 7257 1 10 . 1 1 20 20 ASP H H 20 7.420 7.420 7.492 -0.072 18978 7258 1 10 . 1 1 21 21 VAL N N 21 119.830 119.830 120.157 -0.327 18978 7259 1 10 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.612 -0.102 18978 7260 1 10 . 1 1 21 21 VAL C C 21 178.100 178.100 178.091 0.009 18978 7261 1 10 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.847 -0.277 18978 7262 1 10 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.079 0.331 18978 7263 1 10 . 1 1 21 21 VAL H H 21 7.190 7.190 7.308 -0.118 18978 7264 1 10 . 1 1 22 22 ILE N N 22 118.490 118.490 119.393 -0.903 18978 7265 1 10 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.434 -0.264 18978 7266 1 10 . 1 1 22 22 ILE C C 22 176.660 176.660 178.103 -1.443 18978 7267 1 10 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.743 1.477 18978 7268 1 10 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.074 1.426 18978 7269 1 10 . 1 1 22 22 ILE H H 22 7.660 7.660 7.622 0.038 18978 7270 1 10 . 1 1 23 23 ARG N N 23 118.260 118.260 120.424 -2.164 18978 7271 1 10 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.903 -0.523 18978 7272 1 10 . 1 1 23 23 ARG C C 23 178.060 178.060 178.822 -0.762 18978 7273 1 10 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.985 0.585 18978 7274 1 10 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.086 -0.016 18978 7275 1 10 . 1 1 23 23 ARG H H 23 7.830 7.830 7.718 0.112 18978 7276 1 10 . 1 1 24 24 ILE N N 24 116.750 116.750 117.853 -1.103 18978 7277 1 10 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.724 -0.004 18978 7278 1 10 . 1 1 24 24 ILE C C 24 179.090 179.090 177.054 2.036 18978 7279 1 10 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.560 -0.500 18978 7280 1 10 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.871 0.159 18978 7281 1 10 . 1 1 24 24 ILE H H 24 7.350 7.350 7.470 -0.120 18978 7282 1 10 . 1 1 25 25 LYS N N 25 118.700 118.700 117.288 1.412 18978 7283 1 10 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.006 0.084 18978 7284 1 10 . 1 1 25 25 LYS C C 25 178.560 178.560 178.371 0.189 18978 7285 1 10 . 1 1 25 25 LYS CA C 25 57.650 57.650 57.591 0.059 18978 7286 1 10 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.628 -0.538 18978 7287 1 10 . 1 1 25 25 LYS H H 25 7.880 7.880 7.628 0.252 18978 7288 1 10 . 1 1 26 26 LEU N N 26 116.380 116.380 117.996 -1.616 18978 7289 1 10 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.171 0.059 18978 7290 1 10 . 1 1 26 26 LEU C C 26 175.880 175.880 177.141 -1.261 18978 7291 1 10 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.962 -1.873 18978 7292 1 10 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.812 0.498 18978 7293 1 10 . 1 1 26 26 LEU H H 26 7.860 7.860 7.818 0.042 18978 7294 1 10 . 1 1 27 27 GLN N N 27 119.210 119.210 117.042 2.168 18978 7295 1 10 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.813 -0.283 18978 7296 1 10 . 1 1 27 27 GLN C C 27 177.480 177.480 177.077 0.403 18978 7297 1 10 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.406 0.964 18978 7298 1 10 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.728 -0.428 18978 7299 1 10 . 1 1 27 27 GLN H H 27 7.190 7.190 7.585 -0.395 18978 7300 1 10 . 1 1 28 28 GLY N N 28 113.490 113.490 113.469 0.021 18978 7301 1 10 . 1 1 28 28 GLY C C 28 174.070 174.070 174.372 -0.302 18978 7302 1 10 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.870 0.410 18978 7303 1 10 . 1 1 28 28 GLY H H 28 8.940 8.940 8.680 0.260 18978 7304 1 10 . 1 1 29 29 LYS N N 29 122.060 122.060 122.389 -0.329 18978 7305 1 10 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.609 -0.209 18978 7306 1 10 . 1 1 29 29 LYS C C 29 175.560 175.560 175.689 -0.129 18978 7307 1 10 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.201 0.459 18978 7308 1 10 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.049 -1.179 18978 7309 1 10 . 1 1 29 29 LYS H H 29 8.350 8.350 7.809 0.541 18978 7310 1 10 . 1 1 30 30 THR N N 30 118.150 118.150 118.250 -0.100 18978 7311 1 10 . 1 1 30 30 THR HA H 30 5.330 5.330 5.100 0.230 18978 7312 1 10 . 1 1 30 30 THR C C 30 174.860 174.860 173.908 0.952 18978 7313 1 10 . 1 1 30 30 THR CA C 30 62.040 62.040 61.502 0.538 18978 7314 1 10 . 1 1 30 30 THR CB C 30 69.420 69.420 70.046 -0.626 18978 7315 1 10 . 1 1 30 30 THR H H 30 8.410 8.410 8.287 0.123 18978 7316 1 10 . 1 1 31 31 VAL N N 31 122.510 122.510 122.001 0.509 18978 7317 1 10 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.642 -0.072 18978 7318 1 10 . 1 1 31 31 VAL C C 31 172.970 172.970 173.548 -0.578 18978 7319 1 10 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.606 -0.156 18978 7320 1 10 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.283 0.597 18978 7321 1 10 . 1 1 31 31 VAL H H 31 9.140 9.140 8.888 0.252 18978 7322 1 10 . 1 1 32 32 ARG N N 32 120.640 120.640 120.972 -0.332 18978 7323 1 10 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.814 -0.064 18978 7324 1 10 . 1 1 32 32 ARG C C 32 175.650 175.650 174.937 0.713 18978 7325 1 10 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.404 -0.754 18978 7326 1 10 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.179 -0.309 18978 7327 1 10 . 1 1 32 32 ARG H H 32 8.420 8.420 8.857 -0.437 18978 7328 1 10 . 1 1 33 33 THR N N 33 118.590 118.590 118.770 -0.180 18978 7329 1 10 . 1 1 33 33 THR HA H 33 3.410 3.410 3.911 -0.501 18978 7330 1 10 . 1 1 33 33 THR C C 33 175.020 175.020 175.528 -0.508 18978 7331 1 10 . 1 1 33 33 THR CA C 33 65.660 65.660 65.122 0.538 18978 7332 1 10 . 1 1 33 33 THR CB C 33 69.400 69.400 68.619 0.781 18978 7333 1 10 . 1 1 33 33 THR H H 33 8.370 8.370 8.531 -0.161 18978 7334 1 10 . 1 1 34 34 GLY N N 34 117.350 117.350 115.592 1.758 18978 7335 1 10 . 1 1 34 34 GLY C C 34 174.350 174.350 174.400 -0.050 18978 7336 1 10 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.873 0.127 18978 7337 1 10 . 1 1 34 34 GLY H H 34 9.090 9.090 8.481 0.609 18978 7338 1 10 . 1 1 35 35 ASP N N 35 122.240 122.240 123.418 -1.178 18978 7339 1 10 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.663 -0.193 18978 7340 1 10 . 1 1 35 35 ASP C C 35 174.570 174.570 175.125 -0.555 18978 7341 1 10 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.308 0.262 18978 7342 1 10 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.939 -0.259 18978 7343 1 10 . 1 1 35 35 ASP H H 35 8.010 8.010 7.780 0.230 18978 7344 1 10 . 1 1 36 36 VAL N N 36 119.860 119.860 121.068 -1.208 18978 7345 1 10 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.784 0.166 18978 7346 1 10 . 1 1 36 36 VAL C C 36 176.330 176.330 175.872 0.458 18978 7347 1 10 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.430 0.280 18978 7348 1 10 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.998 -1.098 18978 7349 1 10 . 1 1 36 36 VAL H H 36 8.330 8.330 8.384 -0.054 18978 7350 1 10 . 1 1 37 37 ILE N N 37 124.990 124.990 128.358 -3.368 18978 7351 1 10 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.537 0.093 18978 7352 1 10 . 1 1 37 37 ILE C C 37 174.400 174.400 175.020 -0.620 18978 7353 1 10 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.521 -1.531 18978 7354 1 10 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.565 0.245 18978 7355 1 10 . 1 1 37 37 ILE H H 37 9.160 9.160 8.675 0.485 18978 7356 1 10 . 1 1 38 38 GLY N N 38 112.060 112.060 112.638 -0.578 18978 7357 1 10 . 1 1 38 38 GLY C C 38 172.920 172.920 173.748 -0.828 18978 7358 1 10 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.384 0.196 18978 7359 1 10 . 1 1 38 38 GLY H H 38 8.660 8.660 8.461 0.199 18978 7360 1 10 . 1 1 39 39 ILE N N 39 123.220 123.220 123.922 -0.702 18978 7361 1 10 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.517 -0.147 18978 7362 1 10 . 1 1 39 39 ILE C C 39 174.500 174.500 175.454 -0.954 18978 7363 1 10 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.475 -0.925 18978 7364 1 10 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.994 -0.694 18978 7365 1 10 . 1 1 39 39 ILE H H 39 8.810 8.810 8.390 0.420 18978 7366 1 10 . 1 1 40 40 SER N N 40 121.430 121.430 122.273 -0.843 18978 7367 1 10 . 1 1 40 40 SER HA H 40 4.830 4.830 4.742 0.088 18978 7368 1 10 . 1 1 40 40 SER C C 40 174.130 174.130 174.077 0.053 18978 7369 1 10 . 1 1 40 40 SER CA C 40 57.770 57.770 58.081 -0.311 18978 7370 1 10 . 1 1 40 40 SER CB C 40 63.040 63.040 63.619 -0.579 18978 7371 1 10 . 1 1 40 40 SER H H 40 8.540 8.540 8.714 -0.174 18978 7372 1 10 . 1 1 41 41 ILE N N 41 127.060 127.060 127.052 0.008 18978 7373 1 10 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.449 -0.159 18978 7374 1 10 . 1 1 41 41 ILE C C 41 175.280 175.280 175.648 -0.368 18978 7375 1 10 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.761 0.489 18978 7376 1 10 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.305 1.535 18978 7377 1 10 . 1 1 41 41 ILE H H 41 8.930 8.930 8.486 0.444 18978 7378 1 10 . 1 1 42 42 LEU N N 42 126.770 126.770 128.250 -1.480 18978 7379 1 10 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.941 -0.051 18978 7380 1 10 . 1 1 42 42 LEU C C 42 177.130 177.130 176.804 0.326 18978 7381 1 10 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.294 0.266 18978 7382 1 10 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.337 -0.967 18978 7383 1 10 . 1 1 42 42 LEU H H 42 9.380 9.380 9.036 0.344 18978 7384 1 10 . 1 1 43 43 GLY N N 43 103.820 103.820 104.111 -0.291 18978 7385 1 10 . 1 1 43 43 GLY C C 43 173.690 173.690 174.068 -0.378 18978 7386 1 10 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.105 0.235 18978 7387 1 10 . 1 1 43 43 GLY H H 43 8.310 8.310 8.312 -0.002 18978 7388 1 10 . 1 1 44 44 LYS N N 44 121.160 121.160 122.470 -1.310 18978 7389 1 10 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.500 0.060 18978 7390 1 10 . 1 1 44 44 LYS C C 44 174.550 174.550 175.172 -0.622 18978 7391 1 10 . 1 1 44 44 LYS CA C 44 54.140 54.140 54.704 -0.564 18978 7392 1 10 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.147 0.473 18978 7393 1 10 . 1 1 44 44 LYS H H 44 7.730 7.730 7.573 0.157 18978 7394 1 10 . 1 1 45 45 GLU N N 45 124.090 124.090 126.591 -2.501 18978 7395 1 10 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.392 -0.112 18978 7396 1 10 . 1 1 45 45 GLU C C 45 175.730 175.730 175.482 0.248 18978 7397 1 10 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.446 0.284 18978 7398 1 10 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.699 -0.629 18978 7399 1 10 . 1 1 45 45 GLU H H 45 8.490 8.490 8.721 -0.231 18978 7400 1 10 . 1 1 46 46 VAL N N 46 129.960 129.960 128.158 1.802 18978 7401 1 10 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.326 -0.296 18978 7402 1 10 . 1 1 46 46 VAL C C 46 174.610 174.610 173.711 0.899 18978 7403 1 10 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.224 1.456 18978 7404 1 10 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.834 -0.954 18978 7405 1 10 . 1 1 46 46 VAL H H 46 8.920 8.920 8.580 0.340 18978 7406 1 10 . 1 1 47 47 LYS N N 47 124.790 124.790 128.345 -3.555 18978 7407 1 10 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.797 0.323 18978 7408 1 10 . 1 1 47 47 LYS C C 47 175.380 175.380 175.492 -0.112 18978 7409 1 10 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.484 -0.284 18978 7410 1 10 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.513 1.157 18978 7411 1 10 . 1 1 47 47 LYS H H 47 7.860 7.860 8.395 -0.535 18978 7412 1 10 . 1 1 48 48 PHE N N 48 118.270 118.270 124.072 -5.802 18978 7413 1 10 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.922 0.038 18978 7414 1 10 . 1 1 48 48 PHE C C 48 173.950 173.950 174.797 -0.847 18978 7415 1 10 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.051 -1.141 18978 7416 1 10 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.891 1.059 18978 7417 1 10 . 1 1 48 48 PHE H H 48 9.270 9.270 8.862 0.408 18978 7418 1 10 . 1 1 49 49 LYS N N 49 121.960 121.960 123.421 -1.461 18978 7419 1 10 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.894 0.016 18978 7420 1 10 . 1 1 49 49 LYS C C 49 176.230 176.230 175.521 0.709 18978 7421 1 10 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.645 -0.735 18978 7422 1 10 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.108 -0.938 18978 7423 1 10 . 1 1 49 49 LYS H H 49 9.170 9.170 8.572 0.598 18978 7424 1 10 . 1 1 50 50 VAL N N 50 127.140 127.140 127.190 -0.050 18978 7425 1 10 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.050 0.120 18978 7426 1 10 . 1 1 50 50 VAL C C 50 175.500 175.500 176.367 -0.867 18978 7427 1 10 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.447 -1.467 18978 7428 1 10 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.891 -1.401 18978 7429 1 10 . 1 1 50 50 VAL H H 50 9.400 9.400 8.224 1.176 18978 7430 1 10 . 1 1 51 51 VAL N N 51 132.840 132.840 130.456 2.384 18978 7431 1 10 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.888 -0.238 18978 7432 1 10 . 1 1 51 51 VAL C C 51 176.440 176.440 175.721 0.719 18978 7433 1 10 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.242 -0.312 18978 7434 1 10 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.097 0.033 18978 7435 1 10 . 1 1 51 51 VAL H H 51 8.390 8.390 8.559 -0.169 18978 7436 1 10 . 1 1 52 52 GLN N N 52 114.500 114.500 112.537 1.963 18978 7437 1 10 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.610 -0.340 18978 7438 1 10 . 1 1 52 52 GLN C C 52 172.290 172.290 173.407 -1.117 18978 7439 1 10 . 1 1 52 52 GLN CA C 52 56.640 56.640 54.978 1.661 18978 7440 1 10 . 1 1 52 52 GLN CB C 52 32.630 32.630 31.594 1.036 18978 7441 1 10 . 1 1 52 52 GLN H H 52 7.470 7.470 7.616 -0.146 18978 7442 1 10 . 1 1 53 53 ALA N N 53 131.410 131.410 122.820 8.590 18978 7443 1 10 . 1 1 53 53 ALA HA H 53 4.830 4.830 5.089 -0.259 18978 7444 1 10 . 1 1 53 53 ALA C C 53 174.270 174.270 175.368 -1.098 18978 7445 1 10 . 1 1 53 53 ALA CA C 53 50.800 50.800 51.152 -0.352 18978 7446 1 10 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.621 -2.521 18978 7447 1 10 . 1 1 53 53 ALA H H 53 8.200 8.200 8.199 0.001 18978 7448 1 10 . 1 1 54 54 TYR N N 54 124.140 124.140 123.824 0.316 18978 7449 1 10 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.993 -0.453 18978 7450 1 10 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.834 -1.564 18978 7451 1 10 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.248 -0.888 18978 7452 1 10 . 1 1 54 54 TYR H H 54 8.860 8.860 8.626 0.234 18978 7453 1 10 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.225 -0.105 18978 7454 1 10 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.153 1.297 18978 7455 1 10 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.900 1.270 18978 7456 1 10 . 1 1 56 56 SER N N 56 106.200 106.200 115.854 -9.654 18978 7457 1 10 . 1 1 56 56 SER HA H 56 4.720 4.720 4.741 -0.021 18978 7458 1 10 . 1 1 56 56 SER CA C 56 54.250 54.250 56.684 -2.434 18978 7459 1 10 . 1 1 56 56 SER CB C 56 64.530 64.530 64.236 0.294 18978 7460 1 10 . 1 1 56 56 SER H H 56 7.380 7.380 8.108 -0.728 18978 7461 1 10 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.428 0.452 18978 7462 1 10 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.931 0.059 18978 7463 1 10 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.575 2.645 18978 7464 1 10 . 1 1 58 58 LEU N N 58 120.480 120.480 121.605 -1.125 18978 7465 1 10 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.675 -0.245 18978 7466 1 10 . 1 1 58 58 LEU C C 58 174.570 174.570 174.849 -0.279 18978 7467 1 10 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.267 -0.367 18978 7468 1 10 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.127 -1.917 18978 7469 1 10 . 1 1 58 58 LEU H H 58 8.960 8.960 8.409 0.551 18978 7470 1 10 . 1 1 59 59 ARG N N 59 125.180 125.180 125.998 -0.818 18978 7471 1 10 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.495 0.435 18978 7472 1 10 . 1 1 59 59 ARG C C 59 175.460 175.460 175.220 0.240 18978 7473 1 10 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.164 -1.124 18978 7474 1 10 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.193 -0.643 18978 7475 1 10 . 1 1 59 59 ARG H H 59 8.130 8.130 8.550 -0.420 18978 7476 1 10 . 1 1 60 60 VAL N N 60 128.170 128.170 128.363 -0.193 18978 7477 1 10 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.000 -0.590 18978 7478 1 10 . 1 1 60 60 VAL C C 60 175.460 175.460 174.935 0.525 18978 7479 1 10 . 1 1 60 60 VAL CA C 60 65.210 65.210 62.743 2.467 18978 7480 1 10 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.273 -1.433 18978 7481 1 10 . 1 1 60 60 VAL H H 60 8.450 8.450 8.204 0.246 18978 7482 1 10 . 1 1 61 61 GLU N N 61 127.670 127.670 127.433 0.237 18978 7483 1 10 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.576 0.294 18978 7484 1 10 . 1 1 61 61 GLU C C 61 176.960 176.960 176.516 0.444 18978 7485 1 10 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.744 -0.414 18978 7486 1 10 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.159 0.121 18978 7487 1 10 . 1 1 61 61 GLU H H 61 8.620 8.620 7.764 0.856 18978 7488 1 10 . 1 1 62 62 ASP N N 62 121.140 121.140 121.327 -0.187 18978 7489 1 10 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.301 -0.151 18978 7490 1 10 . 1 1 62 62 ASP C C 62 177.460 177.460 177.152 0.308 18978 7491 1 10 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.299 0.321 18978 7492 1 10 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.681 -0.320 18978 7493 1 10 . 1 1 62 62 ASP H H 62 8.700 8.700 8.814 -0.114 18978 7494 1 10 . 1 1 63 63 ARG N N 63 112.890 112.890 115.735 -2.845 18978 7495 1 10 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.350 -0.070 18978 7496 1 10 . 1 1 63 63 ARG C C 63 176.510 176.510 176.530 -0.020 18978 7497 1 10 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.229 -0.779 18978 7498 1 10 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.803 0.187 18978 7499 1 10 . 1 1 63 63 ARG H H 63 7.760 7.760 8.106 -0.346 18978 7500 1 10 . 1 1 64 64 THR N N 64 120.650 120.650 117.813 2.837 18978 7501 1 10 . 1 1 64 64 THR HA H 64 4.020 4.020 4.450 -0.430 18978 7502 1 10 . 1 1 64 64 THR C C 64 173.810 173.810 174.176 -0.366 18978 7503 1 10 . 1 1 64 64 THR CA C 64 64.060 64.060 62.842 1.218 18978 7504 1 10 . 1 1 64 64 THR CB C 64 69.350 69.350 70.155 -0.805 18978 7505 1 10 . 1 1 64 64 THR H H 64 7.700 7.700 7.615 0.085 18978 7506 1 10 . 1 1 65 65 LYS N N 65 130.950 130.950 126.787 4.163 18978 7507 1 10 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.476 -0.206 18978 7508 1 10 . 1 1 65 65 LYS C C 65 174.560 174.560 175.274 -0.714 18978 7509 1 10 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.086 0.195 18978 7510 1 10 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.431 -0.311 18978 7511 1 10 . 1 1 65 65 LYS H H 65 8.520 8.520 8.365 0.155 18978 7512 1 10 . 1 1 66 66 ILE N N 66 128.020 128.020 125.566 2.454 18978 7513 1 10 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.807 0.043 18978 7514 1 10 . 1 1 66 66 ILE C C 66 174.650 174.650 176.128 -1.478 18978 7515 1 10 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.162 -0.342 18978 7516 1 10 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.122 -1.842 18978 7517 1 10 . 1 1 66 66 ILE H H 66 8.430 8.430 8.606 -0.176 18978 7518 1 10 . 1 1 67 67 THR N N 67 123.870 123.870 123.401 0.469 18978 7519 1 10 . 1 1 67 67 THR HA H 67 4.470 4.470 4.762 -0.292 18978 7520 1 10 . 1 1 67 67 THR C C 67 172.760 172.760 172.649 0.111 18978 7521 1 10 . 1 1 67 67 THR CA C 67 60.740 60.740 61.493 -0.753 18978 7522 1 10 . 1 1 67 67 THR CB C 67 71.320 71.320 71.081 0.239 18978 7523 1 10 . 1 1 67 67 THR H H 67 8.870 8.870 8.442 0.428 18978 7524 1 10 . 1 1 68 68 LEU N N 68 127.070 127.070 127.932 -0.862 18978 7525 1 10 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.054 0.086 18978 7526 1 10 . 1 1 68 68 LEU C C 68 176.610 176.610 175.910 0.700 18978 7527 1 10 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.778 -0.498 18978 7528 1 10 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.554 -0.954 18978 7529 1 10 . 1 1 68 68 LEU H H 68 8.820 8.820 8.633 0.187 18978 7530 1 10 . 1 1 69 69 VAL N N 69 124.120 124.120 126.998 -2.878 18978 7531 1 10 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.412 -0.152 18978 7532 1 10 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.609 -0.259 18978 7533 1 10 . 1 1 69 69 VAL CB C 69 32.790 32.790 31.853 0.937 18978 7534 1 10 . 1 1 69 69 VAL H H 69 8.800 8.800 8.600 0.200 18978 7535 1 10 . 1 1 70 70 THR N N 70 114.500 114.500 119.090 -4.590 18978 7536 1 10 . 1 1 70 70 THR HA H 70 4.410 4.410 4.561 -0.151 18978 7537 1 10 . 1 1 70 70 THR CA C 70 60.800 60.800 60.122 0.678 18978 7538 1 10 . 1 1 70 70 THR CB C 70 69.650 69.650 70.114 -0.464 18978 7539 1 10 . 1 1 70 70 THR H H 70 8.160 8.160 8.370 -0.210 18978 7540 1 10 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.424 -0.494 18978 7541 1 10 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.652 0.868 18978 7542 1 10 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.565 1.575 18978 7543 1 10 . 1 1 73 73 VAL N N 73 117.500 117.500 117.019 0.481 18978 7544 1 10 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.398 0.122 18978 7545 1 10 . 1 1 73 73 VAL C C 73 174.100 174.100 174.733 -0.633 18978 7546 1 10 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.183 -0.173 18978 7547 1 10 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.204 -0.874 18978 7548 1 10 . 1 1 73 73 VAL H H 73 7.410 7.410 7.440 -0.030 18978 7549 1 10 . 1 1 74 74 ASP N N 74 124.500 124.500 122.736 1.764 18978 7550 1 10 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.845 0.065 18978 7551 1 10 . 1 1 74 74 ASP C C 74 174.000 174.000 175.371 -1.371 18978 7552 1 10 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.805 -0.355 18978 7553 1 10 . 1 1 74 74 ASP CB C 74 43.350 43.350 42.115 1.235 18978 7554 1 10 . 1 1 74 74 ASP H H 74 8.290 8.290 8.576 -0.286 18978 7555 1 10 . 1 1 75 75 VAL N N 75 122.400 122.400 124.162 -1.762 18978 7556 1 10 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.389 0.301 18978 7557 1 10 . 1 1 75 75 VAL C C 75 174.600 174.600 175.222 -0.622 18978 7558 1 10 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.740 -0.541 18978 7559 1 10 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.832 0.498 18978 7560 1 10 . 1 1 75 75 VAL H H 75 7.780 7.780 8.417 -0.637 18978 7561 1 10 . 1 1 76 76 LEU N N 76 130.300 130.300 128.553 1.747 18978 7562 1 10 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.715 0.005 18978 7563 1 10 . 1 1 76 76 LEU C C 76 174.400 174.400 176.098 -1.698 18978 7564 1 10 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.104 -0.474 18978 7565 1 10 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.444 0.516 18978 7566 1 10 . 1 1 76 76 LEU H H 76 9.200 9.200 8.377 0.823 18978 7567 1 10 . 1 1 77 77 GLU N N 77 118.600 118.600 120.785 -2.185 18978 7568 1 10 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.640 0.680 18978 7569 1 10 . 1 1 77 77 GLU C C 77 174.900 174.900 174.983 -0.083 18978 7570 1 10 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.778 -1.688 18978 7571 1 10 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.642 2.558 18978 7572 1 10 . 1 1 77 77 GLU H H 77 8.010 8.010 8.479 -0.469 18978 7573 1 10 . 1 1 78 78 ALA N N 78 124.500 124.500 125.066 -0.566 18978 7574 1 10 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.559 0.081 18978 7575 1 10 . 1 1 78 78 ALA C C 78 175.500 175.500 176.642 -1.142 18978 7576 1 10 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.408 -0.728 18978 7577 1 10 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.258 0.552 18978 7578 1 10 . 1 1 78 78 ALA H H 78 8.800 8.800 8.197 0.603 18978 7579 1 10 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.361 0.119 18978 7580 1 10 . 1 1 79 79 LYS C C 79 174.700 174.700 175.585 -0.885 18978 7581 1 10 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.373 -0.273 18978 7582 1 10 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.548 -1.608 18978 7583 1 10 . 1 1 80 80 ILE N N 80 127.300 127.300 124.092 3.208 18978 7584 1 10 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.245 -0.165 18978 7585 1 10 . 1 1 80 80 ILE C C 80 172.700 172.700 175.058 -2.358 18978 7586 1 10 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.376 -0.436 18978 7587 1 10 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.730 2.200 18978 7588 1 10 . 1 1 80 80 ILE H H 80 7.380 7.380 8.541 -1.161 18978 7589 1 10 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.551 -0.271 18978 7590 1 10 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.824 0.296 18978 7591 1 10 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.044 -0.294 18978 7592 1 10 . 1 1 82 82 GLY N N 82 113.000 113.000 112.254 0.746 18978 7593 1 10 . 1 1 82 82 GLY C C 82 174.600 174.600 174.121 0.479 18978 7594 1 10 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.639 2.231 18978 7595 1 10 . 1 1 82 82 GLY H H 82 8.210 8.210 8.738 -0.528 18978 7596 1 10 . 1 1 83 83 ILE N N 83 121.200 121.200 119.058 2.142 18978 7597 1 10 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.865 -0.525 18978 7598 1 10 . 1 1 83 83 ILE C C 83 175.000 175.000 176.330 -1.330 18978 7599 1 10 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.159 2.551 18978 7600 1 10 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.993 -0.503 18978 7601 1 10 . 1 1 83 83 ILE H H 83 8.350 8.350 8.108 0.242 18978 7602 1 10 . 1 1 84 84 LYS N N 84 129.400 129.400 128.418 0.982 18978 7603 1 10 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.392 0.098 18978 7604 1 10 . 1 1 84 84 LYS C C 84 175.000 175.000 176.228 -1.228 18978 7605 1 10 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.884 -0.814 18978 7606 1 10 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.322 0.169 18978 7607 1 10 . 1 1 84 84 LYS H H 84 9.160 9.160 8.620 0.540 18978 7608 1 10 . 1 1 85 85 ASP N N 85 117.500 117.500 117.695 -0.195 18978 7609 1 10 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.892 -0.112 18978 7610 1 10 . 1 1 85 85 ASP C C 85 173.200 173.200 173.738 -0.538 18978 7611 1 10 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.876 -0.785 18978 7612 1 10 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.263 -0.773 18978 7613 1 10 . 1 1 85 85 ASP H H 85 7.990 7.990 7.917 0.073 18978 7614 1 10 . 1 1 86 86 VAL N N 86 119.400 119.400 121.749 -2.349 18978 7615 1 10 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.511 0.659 18978 7616 1 10 . 1 1 86 86 VAL C C 86 172.500 172.500 175.116 -2.616 18978 7617 1 10 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.986 -1.236 18978 7618 1 10 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.056 1.105 18978 7619 1 10 . 1 1 86 86 VAL H H 86 8.210 8.210 8.459 -0.249 18978 7620 1 10 . 1 1 87 87 ILE N N 87 127.100 127.100 128.321 -1.221 18978 7621 1 10 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.451 -0.241 18978 7622 1 10 . 1 1 87 87 ILE C C 87 173.600 173.600 174.365 -0.765 18978 7623 1 10 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.484 -0.014 18978 7624 1 10 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.244 1.246 18978 7625 1 10 . 1 1 87 87 ILE H H 87 9.190 9.190 8.617 0.573 18978 7626 1 10 . 1 1 88 88 LEU N N 88 125.700 125.700 128.018 -2.318 18978 7627 1 10 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.726 0.314 18978 7628 1 10 . 1 1 88 88 LEU C C 88 174.500 174.500 175.725 -1.225 18978 7629 1 10 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.049 -1.109 18978 7630 1 10 . 1 1 88 88 LEU CB C 88 43.510 43.510 43.822 -0.312 18978 7631 1 10 . 1 1 88 88 LEU H H 88 7.840 7.840 8.493 -0.653 18978 7632 1 10 . 1 1 89 89 ASP N N 89 127.800 127.800 124.070 3.730 18978 7633 1 10 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.971 -0.201 18978 7634 1 10 . 1 1 89 89 ASP C C 89 174.100 174.100 176.759 -2.659 18978 7635 1 10 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.122 0.498 18978 7636 1 10 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.677 -0.607 18978 7637 1 10 . 1 1 89 89 ASP H H 89 8.280 8.280 8.674 -0.394 18978 7638 1 10 . 1 1 90 90 GLU N N 90 122.400 122.400 122.920 -0.520 18978 7639 1 10 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.090 -0.240 18978 7640 1 10 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.340 -0.510 18978 7641 1 10 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.807 -0.397 18978 7642 1 10 . 1 1 90 90 GLU H H 90 8.980 8.980 8.736 0.244 18978 7643 1 10 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.808 -0.528 18978 7644 1 10 . 1 1 91 91 ASN C C 91 173.600 173.600 173.811 -0.211 18978 7645 1 10 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.215 1.945 18978 7646 1 10 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.373 0.527 18978 7647 1 10 . 1 1 92 92 LEU N N 92 117.400 117.400 120.700 -3.300 18978 7648 1 10 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.658 0.372 18978 7649 1 10 . 1 1 92 92 LEU C C 92 174.700 174.700 173.749 0.951 18978 7650 1 10 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.872 -2.172 18978 7651 1 10 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.007 1.243 18978 7652 1 10 . 1 1 92 92 LEU H H 92 7.110 7.110 7.728 -0.618 18978 7653 1 10 . 1 1 93 93 ILE N N 93 121.300 121.300 123.674 -2.374 18978 7654 1 10 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.544 -0.094 18978 7655 1 10 . 1 1 93 93 ILE C C 93 174.000 174.000 174.055 -0.055 18978 7656 1 10 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.713 0.257 18978 7657 1 10 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.749 -0.119 18978 7658 1 10 . 1 1 93 93 ILE H H 93 8.450 8.450 8.368 0.082 18978 7659 1 10 . 1 1 94 94 VAL N N 94 128.000 128.000 127.587 0.413 18978 7660 1 10 . 1 1 94 94 VAL HA H 94 4.840 4.840 5.059 -0.219 18978 7661 1 10 . 1 1 94 94 VAL C C 94 174.000 174.000 174.597 -0.597 18978 7662 1 10 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.436 0.664 18978 7663 1 10 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.197 -2.077 18978 7664 1 10 . 1 1 94 94 VAL H H 94 8.970 8.970 8.411 0.559 18978 7665 1 10 . 1 1 95 95 VAL N N 95 127.700 127.700 127.716 -0.016 18978 7666 1 10 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.524 0.146 18978 7667 1 10 . 1 1 95 95 VAL C C 95 173.300 173.300 174.627 -1.327 18978 7668 1 10 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.455 -0.615 18978 7669 1 10 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.800 -0.560 18978 7670 1 10 . 1 1 95 95 VAL H H 95 9.420 9.420 8.604 0.816 18978 7671 1 10 . 1 1 96 96 ILE N N 96 126.000 126.000 127.620 -1.620 18978 7672 1 10 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.020 0.200 18978 7673 1 10 . 1 1 96 96 ILE C C 96 177.100 177.100 175.668 1.432 18978 7674 1 10 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.636 -0.066 18978 7675 1 10 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.404 0.346 18978 7676 1 10 . 1 1 96 96 ILE H H 96 8.460 8.460 8.801 -0.341 18978 7677 1 10 . 1 1 97 97 THR N N 97 118.100 118.100 118.690 -0.590 18978 7678 1 10 . 1 1 97 97 THR HA H 97 5.250 5.250 4.829 0.421 18978 7679 1 10 . 1 1 97 97 THR C C 97 176.300 176.300 175.756 0.544 18978 7680 1 10 . 1 1 97 97 THR CA C 97 59.650 59.650 59.659 -0.009 18978 7681 1 10 . 1 1 97 97 THR CB C 97 71.890 71.890 71.174 0.716 18978 7682 1 10 . 1 1 97 97 THR H H 97 9.050 9.050 8.478 0.572 18978 7683 1 10 . 1 1 98 98 GLU N N 98 120.100 120.100 122.926 -2.826 18978 7684 1 10 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.984 0.136 18978 7685 1 10 . 1 1 98 98 GLU C C 98 176.200 176.200 178.106 -1.906 18978 7686 1 10 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.625 -1.735 18978 7687 1 10 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.691 -0.161 18978 7688 1 10 . 1 1 98 98 GLU H H 98 9.220 9.220 8.303 0.917 18978 7689 1 10 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.313 -0.163 18978 7690 1 10 . 1 1 99 99 GLU C C 99 174.200 174.200 175.781 -1.581 18978 7691 1 10 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.281 1.929 18978 7692 1 10 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.892 0.978 18978 7693 1 10 . 1 1 100 100 ASN N N 100 113.200 113.200 114.319 -1.119 18978 7694 1 10 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.395 -0.285 18978 7695 1 10 . 1 1 100 100 ASN C C 100 173.700 173.700 173.515 0.185 18978 7696 1 10 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.446 -0.046 18978 7697 1 10 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.285 -0.425 18978 7698 1 10 . 1 1 100 100 ASN H H 100 8.020 8.020 8.141 -0.121 18978 7699 1 10 . 1 1 101 101 GLU N N 101 115.500 115.500 118.477 -2.977 18978 7700 1 10 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.711 0.439 18978 7701 1 10 . 1 1 101 101 GLU C C 101 174.900 174.900 174.560 0.340 18978 7702 1 10 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.097 -0.047 18978 7703 1 10 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.150 -1.750 18978 7704 1 10 . 1 1 101 101 GLU H H 101 7.230 7.230 7.309 -0.079 18978 7705 1 10 . 1 1 102 102 VAL N N 102 122.700 122.700 124.701 -2.001 18978 7706 1 10 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.679 0.241 18978 7707 1 10 . 1 1 102 102 VAL C C 102 173.700 173.700 174.410 -0.710 18978 7708 1 10 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.265 -0.345 18978 7709 1 10 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.760 0.050 18978 7710 1 10 . 1 1 102 102 VAL H H 102 8.710 8.710 8.834 -0.124 18978 7711 1 10 . 1 1 103 103 LEU N N 103 127.300 127.300 128.008 -0.708 18978 7712 1 10 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.821 -0.521 18978 7713 1 10 . 1 1 103 103 LEU C C 103 174.500 174.500 175.434 -0.934 18978 7714 1 10 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.513 0.307 18978 7715 1 10 . 1 1 103 103 LEU H H 103 9.140 9.140 8.396 0.744 18978 7716 1 10 . 1 1 104 104 ILE N N 104 122.200 122.200 121.492 0.708 18978 7717 1 10 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.746 -0.006 18978 7718 1 10 . 1 1 104 104 ILE C C 104 173.600 173.600 174.552 -0.952 18978 7719 1 10 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.372 -0.152 18978 7720 1 10 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.773 -0.623 18978 7721 1 10 . 1 1 104 104 ILE H H 104 8.470 8.470 8.145 0.325 18978 7722 1 10 . 1 1 105 105 PHE N N 105 126.600 126.600 125.105 1.495 18978 7723 1 10 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.702 -0.132 18978 7724 1 10 . 1 1 105 105 PHE C C 105 175.800 175.800 175.235 0.565 18978 7725 1 10 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.803 -0.353 18978 7726 1 10 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.579 1.091 18978 7727 1 10 . 1 1 105 105 PHE H H 105 9.330 9.330 9.105 0.225 18978 7728 1 10 . 1 1 106 106 ASN N N 106 116.000 116.000 118.720 -2.720 18978 7729 1 10 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.002 0.468 18978 7730 1 10 . 1 1 106 106 ASN C C 106 176.700 176.700 176.948 -0.248 18978 7731 1 10 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.142 -0.642 18978 7732 1 10 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.553 -0.954 18978 7733 1 10 . 1 1 106 106 ASN H H 106 7.710 7.710 8.268 -0.558 18978 7734 1 10 . 1 1 107 107 GLN N N 107 114.500 114.500 119.628 -5.128 18978 7735 1 10 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.044 -0.154 18978 7736 1 10 . 1 1 107 107 GLN C C 107 173.700 173.700 176.059 -2.359 18978 7737 1 10 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.811 -1.301 18978 7738 1 10 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.419 -1.329 18978 7739 1 10 . 1 1 107 107 GLN H H 107 8.040 8.040 8.729 -0.689 18978 7740 1 10 . 1 1 108 108 ASN N N 108 115.800 115.800 115.274 0.526 18978 7741 1 10 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.641 0.029 18978 7742 1 10 . 1 1 108 108 ASN C C 108 173.600 173.600 174.939 -1.339 18978 7743 1 10 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.022 -0.932 18978 7744 1 10 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.453 0.407 18978 7745 1 10 . 1 1 108 108 ASN H H 108 7.440 7.440 8.251 -0.811 18978 7746 1 10 . 1 1 109 109 LEU N N 109 115.200 115.200 117.940 -2.740 18978 7747 1 10 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.799 -0.269 18978 7748 1 10 . 1 1 109 109 LEU C C 109 174.700 174.700 175.294 -0.594 18978 7749 1 10 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.071 -0.301 18978 7750 1 10 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.072 -0.372 18978 7751 1 10 . 1 1 109 109 LEU H H 109 8.220 8.220 7.711 0.509 18978 7752 1 10 . 1 1 110 110 GLU N N 110 117.600 117.600 118.942 -1.342 18978 7753 1 10 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.673 -0.253 18978 7754 1 10 . 1 1 110 110 GLU C C 110 175.800 175.800 176.006 -0.206 18978 7755 1 10 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.997 0.183 18978 7756 1 10 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.005 -3.185 18978 7757 1 10 . 1 1 110 110 GLU H H 110 7.550 7.550 8.104 -0.554 18978 7758 1 10 . 1 1 111 111 GLU N N 111 125.900 125.900 122.923 2.977 18978 7759 1 10 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.001 -0.171 18978 7760 1 10 . 1 1 111 111 GLU C C 111 175.400 175.400 176.011 -0.611 18978 7761 1 10 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.648 -1.008 18978 7762 1 10 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.725 0.895 18978 7763 1 10 . 1 1 111 111 GLU H H 111 8.350 8.350 8.939 -0.589 18978 7764 1 10 . 1 1 112 112 LEU N N 112 128.000 128.000 126.363 1.637 18978 7765 1 10 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.474 -0.204 18978 7766 1 10 . 1 1 112 112 LEU C C 112 176.100 176.100 176.581 -0.481 18978 7767 1 10 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.421 -0.391 18978 7768 1 10 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.995 -1.225 18978 7769 1 10 . 1 1 112 112 LEU H H 112 9.110 9.110 8.178 0.932 18978 7770 1 10 . 1 1 113 113 TYR N N 113 116.300 116.300 119.794 -3.494 18978 7771 1 10 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.675 -0.345 18978 7772 1 10 . 1 1 113 113 TYR C C 113 171.700 171.700 173.102 -1.402 18978 7773 1 10 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.512 0.448 18978 7774 1 10 . 1 1 113 113 TYR CB C 113 41.720 41.720 41.961 -0.241 18978 7775 1 10 . 1 1 113 113 TYR H H 113 7.250 7.250 7.421 -0.171 18978 7776 1 10 . 1 1 114 114 ARG N N 114 126.200 126.200 125.472 0.728 18978 7777 1 10 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.847 0.173 18978 7778 1 10 . 1 1 114 114 ARG C C 114 173.500 173.500 174.786 -1.286 18978 7779 1 10 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.866 -0.246 18978 7780 1 10 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.901 0.549 18978 7781 1 10 . 1 1 114 114 ARG H H 114 6.560 6.560 7.972 -1.412 18978 7782 1 10 . 1 1 115 115 GLY N N 115 111.300 111.300 111.073 0.227 18978 7783 1 10 . 1 1 115 115 GLY C C 115 178.100 178.100 171.391 6.709 18978 7784 1 10 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.360 0.050 18978 7785 1 10 . 1 1 115 115 GLY H H 115 8.320 8.320 8.216 0.104 18978 7786 1 10 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.468 0.302 18978 7787 1 10 . 1 1 116 116 LYS C C 116 174.400 174.400 174.554 -0.154 18978 7788 1 10 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.200 -0.010 18978 7789 1 10 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.999 -0.659 18978 7790 1 10 . 1 1 117 117 PHE N N 117 125.800 125.800 124.330 1.470 18978 7791 1 10 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.865 -0.315 18978 7792 1 10 . 1 1 117 117 PHE C C 117 174.000 174.000 176.252 -2.252 18978 7793 1 10 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.931 -0.081 18978 7794 1 10 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.724 0.436 18978 7795 1 10 . 1 1 117 117 PHE H H 117 8.090 8.090 8.571 -0.481 18978 7796 1 10 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.815 -0.155 18978 7797 1 10 . 1 1 119 119 ASN C C 119 173.500 173.500 174.516 -1.016 18978 7798 1 10 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.870 -0.390 18978 7799 1 10 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.552 -0.362 18978 7800 1 10 . 1 1 120 120 LEU N N 120 120.200 120.200 122.339 -2.139 18978 7801 1 10 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.153 -0.323 18978 7802 1 10 . 1 1 120 120 LEU C C 120 175.000 175.000 176.076 -1.076 18978 7803 1 10 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.354 -0.084 18978 7804 1 10 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.369 0.401 18978 7805 1 10 . 1 1 120 120 LEU H H 120 6.900 6.900 7.712 -0.812 18978 7806 1 10 . 1 1 121 121 ASN N N 121 124.200 124.200 125.359 -1.159 18978 7807 1 10 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.805 0.085 18978 7808 1 10 . 1 1 121 121 ASN C C 121 174.300 174.300 175.311 -1.011 18978 7809 1 10 . 1 1 121 121 ASN CA C 121 53.880 53.880 53.373 0.507 18978 7810 1 10 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.973 -0.533 18978 7811 1 10 . 1 1 121 121 ASN H H 121 8.900 8.900 8.703 0.197 18978 7812 1 10 . 1 1 122 122 LYS N N 122 115.100 115.100 119.052 -3.952 18978 7813 1 10 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.597 -0.127 18978 7814 1 10 . 1 1 122 122 LYS C C 122 172.500 172.500 174.176 -1.676 18978 7815 1 10 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.441 0.259 18978 7816 1 10 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.610 -0.950 18978 7817 1 10 . 1 1 122 122 LYS H H 122 7.410 7.410 7.909 -0.499 18978 7818 1 10 . 1 1 123 123 VAL N N 123 121.500 121.500 121.330 0.170 18978 7819 1 10 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.442 0.378 18978 7820 1 10 . 1 1 123 123 VAL C C 123 173.400 173.400 175.147 -1.747 18978 7821 1 10 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.301 -0.611 18978 7822 1 10 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.305 0.845 18978 7823 1 10 . 1 1 123 123 VAL H H 123 7.730 7.730 8.403 -0.673 18978 7824 1 10 . 1 1 124 124 LEU N N 124 126.600 126.600 129.301 -2.701 18978 7825 1 10 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.839 -0.119 18978 7826 1 10 . 1 1 124 124 LEU C C 124 174.200 174.200 175.224 -1.024 18978 7827 1 10 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.093 -0.713 18978 7828 1 10 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.020 1.090 18978 7829 1 10 . 1 1 124 124 LEU H H 124 9.060 9.060 8.464 0.596 18978 7830 1 10 . 1 1 125 125 VAL N N 125 120.300 120.300 118.622 1.678 18978 7831 1 10 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.720 -0.050 18978 7832 1 10 . 1 1 125 125 VAL C C 125 174.700 174.700 174.636 0.064 18978 7833 1 10 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.306 -0.016 18978 7834 1 10 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.406 -0.156 18978 7835 1 10 . 1 1 125 125 VAL H H 125 8.030 8.030 8.333 -0.303 18978 7836 1 10 . 1 1 126 126 ARG N N 126 127.100 127.100 123.595 3.505 18978 7837 1 10 . 1 1 126 126 ARG HA H 126 4.470 4.470 5.030 -0.560 18978 7838 1 10 . 1 1 126 126 ARG C C 126 174.400 174.400 175.097 -0.697 18978 7839 1 10 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.978 0.852 18978 7840 1 10 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.773 -1.473 18978 7841 1 10 . 1 1 126 126 ARG H H 126 8.630 8.630 8.331 0.299 18978 7842 1 10 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.364 -0.074 18978 7843 1 10 . 1 1 127 127 ASN C C 127 172.600 172.600 174.527 -1.927 18978 7844 1 10 . 1 1 127 127 ASN CA C 127 56.060 56.060 54.624 1.436 18978 7845 1 10 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.722 -0.772 18978 7846 1 10 . 1 1 128 128 ASP N N 128 117.600 117.600 118.172 -0.572 18978 7847 1 10 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.509 -0.059 18978 7848 1 10 . 1 1 128 128 ASP C C 128 174.000 174.000 175.093 -1.093 18978 7849 1 10 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.350 -0.830 18978 7850 1 10 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.219 -0.409 18978 7851 1 10 . 1 1 128 128 ASP H H 128 8.560 8.560 8.513 0.047 18978 7852 1 10 . 1 1 129 129 LEU N N 129 121.500 121.500 121.201 0.299 18978 7853 1 10 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.737 0.333 18978 7854 1 10 . 1 1 129 129 LEU C C 129 174.800 174.800 174.039 0.761 18978 7855 1 10 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.593 -0.793 18978 7856 1 10 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.750 -0.630 18978 7857 1 10 . 1 1 129 129 LEU H H 129 7.730 7.730 7.490 0.240 18978 7858 1 10 . 1 1 130 130 VAL N N 130 120.600 120.600 125.008 -4.408 18978 7859 1 10 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.679 0.031 18978 7860 1 10 . 1 1 130 130 VAL C C 130 173.500 173.500 173.038 0.462 18978 7861 1 10 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.246 0.274 18978 7862 1 10 . 1 1 130 130 VAL CB C 130 33.750 33.750 35.806 -2.056 18978 7863 1 10 . 1 1 130 130 VAL H H 130 8.410 8.410 8.051 0.359 18978 7864 1 10 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.838 -0.238 18978 7865 1 10 . 1 1 131 131 VAL CA C 131 60.590 60.590 59.252 1.338 18978 7866 1 10 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.281 -1.421 18978 7867 1 10 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.360 -0.060 18978 7868 1 10 . 1 1 132 132 ILE C C 132 174.900 174.900 174.244 0.656 18978 7869 1 10 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.224 0.256 18978 7870 1 10 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.366 -0.316 18978 7871 1 10 . 1 1 133 133 ILE N N 133 126.200 126.200 126.549 -0.349 18978 7872 1 10 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.446 0.224 18978 7873 1 10 . 1 1 133 133 ILE C C 133 174.200 174.200 174.121 0.079 18978 7874 1 10 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.571 1.359 18978 7875 1 10 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.097 1.023 18978 7876 1 10 . 1 1 133 133 ILE H H 133 8.490 8.490 8.545 -0.055 18978 7877 1 10 . 1 1 134 134 ASP N N 134 130.100 130.100 125.411 4.689 18978 7878 1 10 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.175 -0.225 18978 7879 1 10 . 1 1 134 134 ASP C C 134 174.600 174.600 176.542 -1.942 18978 7880 1 10 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.281 0.109 18978 7881 1 10 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.026 -0.656 18978 7882 1 10 . 1 1 134 134 ASP H H 134 8.360 8.360 8.221 0.139 18978 7883 1 10 . 1 1 135 135 GLU N N 135 118.000 118.000 121.218 -3.218 18978 7884 1 10 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.925 0.285 18978 7885 1 10 . 1 1 135 135 GLU C C 135 176.200 176.200 177.422 -1.222 18978 7886 1 10 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.140 -0.390 18978 7887 1 10 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.697 0.594 18978 7888 1 10 . 1 1 135 135 GLU H H 135 7.840 7.840 8.506 -0.666 18978 7889 1 10 . 1 1 136 136 GLN N N 136 115.200 115.200 115.816 -0.616 18978 7890 1 10 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.242 0.628 18978 7891 1 10 . 1 1 136 136 GLN C C 136 174.900 174.900 175.802 -0.902 18978 7892 1 10 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.968 -1.468 18978 7893 1 10 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.961 0.969 18978 7894 1 10 . 1 1 136 136 GLN H H 136 8.860 8.860 8.183 0.677 18978 7895 1 10 . 1 1 137 137 LYS N N 137 118.100 118.100 114.817 3.283 18978 7896 1 10 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.487 0.423 18978 7897 1 10 . 1 1 137 137 LYS C C 137 172.400 172.400 173.648 -1.248 18978 7898 1 10 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.303 0.597 18978 7899 1 10 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.752 0.788 18978 7900 1 10 . 1 1 137 137 LYS H H 137 8.260 8.260 8.052 0.208 18978 7901 1 10 . 1 1 138 138 LEU N N 138 123.500 123.500 121.590 1.910 18978 7902 1 10 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.770 0.090 18978 7903 1 10 . 1 1 138 138 LEU C C 138 174.400 174.400 175.864 -1.464 18978 7904 1 10 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.771 -0.261 18978 7905 1 10 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.929 0.030 18978 7906 1 10 . 1 1 138 138 LEU H H 138 8.410 8.410 8.420 -0.010 18978 7907 1 10 . 1 1 139 139 THR N N 139 123.600 123.600 122.886 0.714 18978 7908 1 10 . 1 1 139 139 THR HA H 139 4.830 4.830 4.660 0.170 18978 7909 1 10 . 1 1 139 139 THR C C 139 171.400 171.400 172.333 -0.933 18978 7910 1 10 . 1 1 139 139 THR CA C 139 62.240 62.240 61.557 0.683 18978 7911 1 10 . 1 1 139 139 THR CB C 139 70.120 70.120 70.107 0.013 18978 7912 1 10 . 1 1 139 139 THR H H 139 8.820 8.820 8.303 0.517 18978 7913 1 10 . 1 1 140 140 LEU N N 140 130.500 130.500 128.979 1.521 18978 7914 1 10 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.570 0.460 18978 7915 1 10 . 1 1 140 140 LEU C C 140 173.700 173.700 175.260 -1.560 18978 7916 1 10 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.374 -0.994 18978 7917 1 10 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.058 0.832 18978 7918 1 10 . 1 1 140 140 LEU H H 140 9.250 9.250 8.640 0.610 18978 7919 1 10 . 1 1 141 141 ILE N N 141 127.300 127.300 127.945 -0.645 18978 7920 1 10 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.358 0.302 18978 7921 1 10 . 1 1 141 141 ILE C C 141 174.200 174.200 174.275 -0.075 18978 7922 1 10 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.538 -1.028 18978 7923 1 10 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.384 -1.534 18978 7924 1 10 . 1 1 141 141 ILE H H 141 9.140 9.140 8.531 0.609 18978 7925 1 10 . 1 1 142 142 ARG N N 142 126.500 126.500 126.927 -0.427 18978 7926 1 10 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.609 0.271 18978 7927 1 10 . 1 1 142 142 ARG C C 142 175.100 175.100 175.623 -0.523 18978 7928 1 10 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.313 -0.773 18978 7929 1 10 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.176 -0.676 18978 7930 1 10 . 1 1 142 142 ARG H H 142 8.550 8.550 8.688 -0.138 18978 7931 1 11 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.687 -0.687 18978 7932 1 11 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 45.099 0.051 18978 7933 1 11 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.222 0.168 18978 7934 1 11 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.213 -2.483 18978 7935 1 11 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.264 -0.224 18978 7936 1 11 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.301 0.579 18978 7937 1 11 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.692 0.418 18978 7938 1 11 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 35.418 -2.658 18978 7939 1 11 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.214 -0.344 18978 7940 1 11 . 1 1 0 0 ILE N N 0 125.570 125.570 125.062 0.508 18978 7941 1 11 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.493 -0.403 18978 7942 1 11 . 1 1 0 0 ILE C C 0 175.850 175.850 175.786 0.064 18978 7943 1 11 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.707 0.093 18978 7944 1 11 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.808 -0.338 18978 7945 1 11 . 1 1 0 0 ILE H H 0 8.230 8.230 8.303 -0.073 18978 7946 1 11 . 1 1 1 1 MET N N 1 125.930 125.930 123.682 2.248 18978 7947 1 11 . 1 1 1 1 MET HA H 1 4.540 4.540 4.963 -0.423 18978 7948 1 11 . 1 1 1 1 MET C C 1 174.830 174.830 175.354 -0.524 18978 7949 1 11 . 1 1 1 1 MET CA C 1 54.790 54.790 55.335 -0.545 18978 7950 1 11 . 1 1 1 1 MET CB C 1 32.640 32.640 33.611 -0.971 18978 7951 1 11 . 1 1 1 1 MET H H 1 8.370 8.370 8.457 -0.087 18978 7952 1 11 . 1 1 2 2 SER N N 2 116.400 116.400 115.586 0.814 18978 7953 1 11 . 1 1 2 2 SER HA H 2 5.030 5.030 5.073 -0.043 18978 7954 1 11 . 1 1 2 2 SER C C 2 174.330 174.330 173.280 1.050 18978 7955 1 11 . 1 1 2 2 SER CA C 2 57.320 57.320 57.304 0.016 18978 7956 1 11 . 1 1 2 2 SER CB C 2 64.790 64.790 66.286 -1.496 18978 7957 1 11 . 1 1 2 2 SER H H 2 7.990 7.990 8.316 -0.326 18978 7958 1 11 . 1 1 3 3 GLU N N 3 123.670 123.670 124.871 -1.201 18978 7959 1 11 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.469 -0.219 18978 7960 1 11 . 1 1 3 3 GLU C C 3 172.980 172.980 173.784 -0.804 18978 7961 1 11 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.504 -0.114 18978 7962 1 11 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.492 -0.582 18978 7963 1 11 . 1 1 3 3 GLU H H 3 9.430 9.430 8.666 0.764 18978 7964 1 11 . 1 1 4 4 LEU N N 4 125.350 125.350 126.621 -1.271 18978 7965 1 11 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.053 -0.183 18978 7966 1 11 . 1 1 4 4 LEU C C 4 174.000 174.000 174.465 -0.465 18978 7967 1 11 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.872 -0.852 18978 7968 1 11 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.236 -0.196 18978 7969 1 11 . 1 1 4 4 LEU H H 4 8.930 8.930 8.472 0.458 18978 7970 1 11 . 1 1 5 5 LYS N N 5 124.640 124.640 126.145 -1.505 18978 7971 1 11 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.968 0.392 18978 7972 1 11 . 1 1 5 5 LYS C C 5 175.660 175.660 175.345 0.315 18978 7973 1 11 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.199 -0.259 18978 7974 1 11 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.879 0.401 18978 7975 1 11 . 1 1 5 5 LYS H H 5 8.840 8.840 8.412 0.428 18978 7976 1 11 . 1 1 6 6 LEU N N 6 123.460 123.460 124.970 -1.510 18978 7977 1 11 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.165 0.265 18978 7978 1 11 . 1 1 6 6 LEU C C 6 174.630 174.630 175.268 -0.638 18978 7979 1 11 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.431 -0.531 18978 7980 1 11 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.460 1.450 18978 7981 1 11 . 1 1 6 6 LEU H H 6 8.820 8.820 8.303 0.517 18978 7982 1 11 . 1 1 7 7 LYS N N 7 122.230 122.230 121.268 0.962 18978 7983 1 11 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.976 0.514 18978 7984 1 11 . 1 1 7 7 LYS CA C 7 52.270 52.270 53.075 -0.805 18978 7985 1 11 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.993 0.507 18978 7986 1 11 . 1 1 7 7 LYS H H 7 9.110 9.110 8.447 0.663 18978 7987 1 11 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.576 -0.476 18978 7988 1 11 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.315 0.125 18978 7989 1 11 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.887 -2.247 18978 7990 1 11 . 1 1 9 9 LEU N N 9 123.250 123.250 122.554 0.696 18978 7991 1 11 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.507 -0.187 18978 7992 1 11 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.795 0.885 18978 7993 1 11 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.312 -1.552 18978 7994 1 11 . 1 1 9 9 LEU H H 9 8.490 8.490 7.995 0.495 18978 7995 1 11 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.426 0.104 18978 7996 1 11 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.026 0.855 18978 7997 1 11 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.136 -0.716 18978 7998 1 11 . 1 1 11 11 LYS N N 11 119.160 119.160 121.463 -2.303 18978 7999 1 11 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.217 -0.107 18978 8000 1 11 . 1 1 11 11 LYS C C 11 175.680 175.680 175.757 -0.077 18978 8001 1 11 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.098 0.112 18978 8002 1 11 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.866 -1.206 18978 8003 1 11 . 1 1 11 11 LYS H H 11 8.180 8.180 8.308 -0.128 18978 8004 1 11 . 1 1 12 12 VAL N N 12 121.820 121.820 123.410 -1.590 18978 8005 1 11 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.318 -0.038 18978 8006 1 11 . 1 1 12 12 VAL C C 12 173.690 173.690 174.774 -1.084 18978 8007 1 11 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.923 -1.093 18978 8008 1 11 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.577 -0.027 18978 8009 1 11 . 1 1 12 12 VAL H H 12 7.530 7.530 8.018 -0.488 18978 8010 1 11 . 1 1 13 13 GLU N N 13 125.610 125.610 124.789 0.821 18978 8011 1 11 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.421 -0.091 18978 8012 1 11 . 1 1 13 13 GLU C C 13 175.390 175.390 175.421 -0.031 18978 8013 1 11 . 1 1 13 13 GLU CA C 13 55.220 55.220 56.134 -0.914 18978 8014 1 11 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.240 -0.270 18978 8015 1 11 . 1 1 13 13 GLU H H 13 8.270 8.270 8.514 -0.244 18978 8016 1 11 . 1 1 14 14 LEU N N 14 125.880 125.880 127.012 -1.132 18978 8017 1 11 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.515 0.005 18978 8018 1 11 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.033 -0.373 18978 8019 1 11 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.928 -0.178 18978 8020 1 11 . 1 1 14 14 LEU H H 14 8.480 8.480 8.326 0.154 18978 8021 1 11 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.623 0.137 18978 8022 1 11 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.950 -0.620 18978 8023 1 11 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.380 -0.320 18978 8024 1 11 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.267 0.123 18978 8025 1 11 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.006 -0.456 18978 8026 1 11 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.860 -0.090 18978 8027 1 11 . 1 1 17 17 ASP N N 17 115.820 115.820 116.247 -0.427 18978 8028 1 11 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.617 0.003 18978 8029 1 11 . 1 1 17 17 ASP C C 17 177.100 177.100 177.274 -0.174 18978 8030 1 11 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.233 -0.343 18978 8031 1 11 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.465 -0.346 18978 8032 1 11 . 1 1 17 17 ASP H H 17 8.560 8.560 8.709 -0.149 18978 8033 1 11 . 1 1 18 18 PHE N N 18 119.610 119.610 122.068 -2.458 18978 8034 1 11 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.123 0.057 18978 8035 1 11 . 1 1 18 18 PHE C C 18 176.740 176.740 176.631 0.109 18978 8036 1 11 . 1 1 18 18 PHE CA C 18 61.020 61.020 62.126 -1.106 18978 8037 1 11 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.358 -0.129 18978 8038 1 11 . 1 1 18 18 PHE H H 18 7.940 7.940 7.804 0.136 18978 8039 1 11 . 1 1 19 19 VAL N N 19 116.370 116.370 118.275 -1.905 18978 8040 1 11 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.623 -0.273 18978 8041 1 11 . 1 1 19 19 VAL C C 19 176.400 176.400 177.816 -1.416 18978 8042 1 11 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.344 -0.834 18978 8043 1 11 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.393 -0.373 18978 8044 1 11 . 1 1 19 19 VAL H H 19 8.010 8.010 8.250 -0.240 18978 8045 1 11 . 1 1 20 20 ASP N N 20 119.190 119.190 119.354 -0.164 18978 8046 1 11 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.357 -0.047 18978 8047 1 11 . 1 1 20 20 ASP C C 20 178.360 178.360 178.636 -0.276 18978 8048 1 11 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.602 -0.492 18978 8049 1 11 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.588 -0.138 18978 8050 1 11 . 1 1 20 20 ASP H H 20 7.420 7.420 7.522 -0.102 18978 8051 1 11 . 1 1 21 21 VAL N N 21 119.830 119.830 120.246 -0.416 18978 8052 1 11 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.599 -0.089 18978 8053 1 11 . 1 1 21 21 VAL C C 21 178.100 178.100 178.113 -0.013 18978 8054 1 11 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.216 -0.646 18978 8055 1 11 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.522 -0.112 18978 8056 1 11 . 1 1 21 21 VAL H H 21 7.190 7.190 7.479 -0.289 18978 8057 1 11 . 1 1 22 22 ILE N N 22 118.490 118.490 119.134 -0.644 18978 8058 1 11 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.444 -0.274 18978 8059 1 11 . 1 1 22 22 ILE C C 22 176.660 176.660 178.069 -1.409 18978 8060 1 11 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.736 1.484 18978 8061 1 11 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.212 1.288 18978 8062 1 11 . 1 1 22 22 ILE H H 22 7.660 7.660 7.465 0.195 18978 8063 1 11 . 1 1 23 23 ARG N N 23 118.260 118.260 120.390 -2.130 18978 8064 1 11 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.922 -0.542 18978 8065 1 11 . 1 1 23 23 ARG C C 23 178.060 178.060 178.867 -0.807 18978 8066 1 11 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.977 0.593 18978 8067 1 11 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.114 -0.044 18978 8068 1 11 . 1 1 23 23 ARG H H 23 7.830 7.830 7.807 0.023 18978 8069 1 11 . 1 1 24 24 ILE N N 24 116.750 116.750 119.075 -2.325 18978 8070 1 11 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.761 -0.041 18978 8071 1 11 . 1 1 24 24 ILE C C 24 179.090 179.090 178.082 1.008 18978 8072 1 11 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.558 -0.498 18978 8073 1 11 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.851 0.179 18978 8074 1 11 . 1 1 24 24 ILE H H 24 7.350 7.350 7.677 -0.327 18978 8075 1 11 . 1 1 25 25 LYS N N 25 118.700 118.700 117.682 1.018 18978 8076 1 11 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.000 0.090 18978 8077 1 11 . 1 1 25 25 LYS C C 25 178.560 178.560 178.124 0.436 18978 8078 1 11 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.951 -1.301 18978 8079 1 11 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.856 -0.766 18978 8080 1 11 . 1 1 25 25 LYS H H 25 7.880 7.880 7.558 0.322 18978 8081 1 11 . 1 1 26 26 LEU N N 26 116.380 116.380 117.312 -0.932 18978 8082 1 11 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.185 0.045 18978 8083 1 11 . 1 1 26 26 LEU C C 26 175.880 175.880 177.129 -1.249 18978 8084 1 11 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.810 -1.720 18978 8085 1 11 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.846 0.464 18978 8086 1 11 . 1 1 26 26 LEU H H 26 7.860 7.860 7.816 0.044 18978 8087 1 11 . 1 1 27 27 GLN N N 27 119.210 119.210 117.113 2.097 18978 8088 1 11 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.826 -0.296 18978 8089 1 11 . 1 1 27 27 GLN C C 27 177.480 177.480 177.103 0.377 18978 8090 1 11 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.376 0.994 18978 8091 1 11 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.681 -0.381 18978 8092 1 11 . 1 1 27 27 GLN H H 27 7.190 7.190 7.576 -0.386 18978 8093 1 11 . 1 1 28 28 GLY N N 28 113.490 113.490 113.400 0.090 18978 8094 1 11 . 1 1 28 28 GLY C C 28 174.070 174.070 174.616 -0.546 18978 8095 1 11 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.043 0.237 18978 8096 1 11 . 1 1 28 28 GLY H H 28 8.940 8.940 8.839 0.101 18978 8097 1 11 . 1 1 29 29 LYS N N 29 122.060 122.060 122.948 -0.888 18978 8098 1 11 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.717 -0.317 18978 8099 1 11 . 1 1 29 29 LYS C C 29 175.560 175.560 175.634 -0.074 18978 8100 1 11 . 1 1 29 29 LYS CA C 29 55.660 55.660 54.521 1.139 18978 8101 1 11 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.748 -0.878 18978 8102 1 11 . 1 1 29 29 LYS H H 29 8.350 8.350 7.873 0.477 18978 8103 1 11 . 1 1 30 30 THR N N 30 118.150 118.150 116.708 1.442 18978 8104 1 11 . 1 1 30 30 THR HA H 30 5.330 5.330 5.005 0.325 18978 8105 1 11 . 1 1 30 30 THR C C 30 174.860 174.860 174.051 0.809 18978 8106 1 11 . 1 1 30 30 THR CA C 30 62.040 62.040 61.635 0.405 18978 8107 1 11 . 1 1 30 30 THR CB C 30 69.420 69.420 70.191 -0.771 18978 8108 1 11 . 1 1 30 30 THR H H 30 8.410 8.410 8.322 0.088 18978 8109 1 11 . 1 1 31 31 VAL N N 31 122.510 122.510 120.720 1.790 18978 8110 1 11 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.602 -0.032 18978 8111 1 11 . 1 1 31 31 VAL C C 31 172.970 172.970 173.630 -0.660 18978 8112 1 11 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.610 -0.160 18978 8113 1 11 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.801 1.079 18978 8114 1 11 . 1 1 31 31 VAL H H 31 9.140 9.140 8.964 0.176 18978 8115 1 11 . 1 1 32 32 ARG N N 32 120.640 120.640 121.555 -0.915 18978 8116 1 11 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.762 -0.012 18978 8117 1 11 . 1 1 32 32 ARG C C 32 175.650 175.650 175.235 0.415 18978 8118 1 11 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.410 -0.760 18978 8119 1 11 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.206 -0.336 18978 8120 1 11 . 1 1 32 32 ARG H H 32 8.420 8.420 9.060 -0.640 18978 8121 1 11 . 1 1 33 33 THR N N 33 118.590 118.590 117.209 1.381 18978 8122 1 11 . 1 1 33 33 THR HA H 33 3.410 3.410 3.851 -0.441 18978 8123 1 11 . 1 1 33 33 THR C C 33 175.020 175.020 176.134 -1.114 18978 8124 1 11 . 1 1 33 33 THR CA C 33 65.660 65.660 65.032 0.628 18978 8125 1 11 . 1 1 33 33 THR CB C 33 69.400 69.400 68.727 0.673 18978 8126 1 11 . 1 1 33 33 THR H H 33 8.370 8.370 8.527 -0.157 18978 8127 1 11 . 1 1 34 34 GLY N N 34 117.350 117.350 115.973 1.377 18978 8128 1 11 . 1 1 34 34 GLY C C 34 174.350 174.350 174.422 -0.072 18978 8129 1 11 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.860 0.140 18978 8130 1 11 . 1 1 34 34 GLY H H 34 9.090 9.090 8.646 0.444 18978 8131 1 11 . 1 1 35 35 ASP N N 35 122.240 122.240 122.321 -0.081 18978 8132 1 11 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.687 -0.217 18978 8133 1 11 . 1 1 35 35 ASP C C 35 174.570 174.570 175.363 -0.793 18978 8134 1 11 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.655 -0.085 18978 8135 1 11 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.728 -0.048 18978 8136 1 11 . 1 1 35 35 ASP H H 35 8.010 8.010 7.749 0.261 18978 8137 1 11 . 1 1 36 36 VAL N N 36 119.860 119.860 121.000 -1.140 18978 8138 1 11 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.836 0.114 18978 8139 1 11 . 1 1 36 36 VAL C C 36 176.330 176.330 175.928 0.402 18978 8140 1 11 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.106 0.604 18978 8141 1 11 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.743 -0.843 18978 8142 1 11 . 1 1 36 36 VAL H H 36 8.330 8.330 8.342 -0.012 18978 8143 1 11 . 1 1 37 37 ILE N N 37 124.990 124.990 127.644 -2.654 18978 8144 1 11 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.513 0.117 18978 8145 1 11 . 1 1 37 37 ILE C C 37 174.400 174.400 174.888 -0.488 18978 8146 1 11 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.520 -1.530 18978 8147 1 11 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.305 0.505 18978 8148 1 11 . 1 1 37 37 ILE H H 37 9.160 9.160 8.682 0.478 18978 8149 1 11 . 1 1 38 38 GLY N N 38 112.060 112.060 112.719 -0.659 18978 8150 1 11 . 1 1 38 38 GLY C C 38 172.920 172.920 173.738 -0.818 18978 8151 1 11 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.369 0.211 18978 8152 1 11 . 1 1 38 38 GLY H H 38 8.660 8.660 8.468 0.192 18978 8153 1 11 . 1 1 39 39 ILE N N 39 123.220 123.220 124.391 -1.171 18978 8154 1 11 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.450 -0.080 18978 8155 1 11 . 1 1 39 39 ILE C C 39 174.500 174.500 175.261 -0.761 18978 8156 1 11 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.539 -0.989 18978 8157 1 11 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.757 -0.457 18978 8158 1 11 . 1 1 39 39 ILE H H 39 8.810 8.810 8.408 0.402 18978 8159 1 11 . 1 1 40 40 SER N N 40 121.430 121.430 121.474 -0.044 18978 8160 1 11 . 1 1 40 40 SER HA H 40 4.830 4.830 4.925 -0.095 18978 8161 1 11 . 1 1 40 40 SER C C 40 174.130 174.130 174.188 -0.058 18978 8162 1 11 . 1 1 40 40 SER CA C 40 57.770 57.770 57.706 0.064 18978 8163 1 11 . 1 1 40 40 SER CB C 40 63.040 63.040 63.765 -0.725 18978 8164 1 11 . 1 1 40 40 SER H H 40 8.540 8.540 8.737 -0.197 18978 8165 1 11 . 1 1 41 41 ILE N N 41 127.060 127.060 128.635 -1.575 18978 8166 1 11 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.450 -0.160 18978 8167 1 11 . 1 1 41 41 ILE C C 41 175.280 175.280 175.836 -0.556 18978 8168 1 11 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.542 0.708 18978 8169 1 11 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.432 1.408 18978 8170 1 11 . 1 1 41 41 ILE H H 41 8.930 8.930 8.753 0.177 18978 8171 1 11 . 1 1 42 42 LEU N N 42 126.770 126.770 127.566 -0.796 18978 8172 1 11 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.960 -0.070 18978 8173 1 11 . 1 1 42 42 LEU C C 42 177.130 177.130 177.088 0.042 18978 8174 1 11 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.385 0.175 18978 8175 1 11 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.097 -0.727 18978 8176 1 11 . 1 1 42 42 LEU H H 42 9.380 9.380 9.209 0.171 18978 8177 1 11 . 1 1 43 43 GLY N N 43 103.820 103.820 104.782 -0.962 18978 8178 1 11 . 1 1 43 43 GLY C C 43 173.690 173.690 173.962 -0.272 18978 8179 1 11 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.260 0.080 18978 8180 1 11 . 1 1 43 43 GLY H H 43 8.310 8.310 8.812 -0.502 18978 8181 1 11 . 1 1 44 44 LYS N N 44 121.160 121.160 120.400 0.760 18978 8182 1 11 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.596 -0.036 18978 8183 1 11 . 1 1 44 44 LYS C C 44 174.550 174.550 175.028 -0.478 18978 8184 1 11 . 1 1 44 44 LYS CA C 44 54.140 54.140 54.465 -0.325 18978 8185 1 11 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.663 -0.043 18978 8186 1 11 . 1 1 44 44 LYS H H 44 7.730 7.730 7.651 0.079 18978 8187 1 11 . 1 1 45 45 GLU N N 45 124.090 124.090 125.890 -1.800 18978 8188 1 11 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.476 -0.196 18978 8189 1 11 . 1 1 45 45 GLU C C 45 175.730 175.730 175.614 0.116 18978 8190 1 11 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.329 0.401 18978 8191 1 11 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.546 -0.476 18978 8192 1 11 . 1 1 45 45 GLU H H 45 8.490 8.490 8.685 -0.195 18978 8193 1 11 . 1 1 46 46 VAL N N 46 129.960 129.960 127.862 2.098 18978 8194 1 11 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.346 -0.316 18978 8195 1 11 . 1 1 46 46 VAL C C 46 174.610 174.610 173.740 0.870 18978 8196 1 11 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.806 1.873 18978 8197 1 11 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.488 -0.608 18978 8198 1 11 . 1 1 46 46 VAL H H 46 8.920 8.920 8.528 0.392 18978 8199 1 11 . 1 1 47 47 LYS N N 47 124.790 124.790 128.428 -3.638 18978 8200 1 11 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.815 0.305 18978 8201 1 11 . 1 1 47 47 LYS C C 47 175.380 175.380 175.438 -0.058 18978 8202 1 11 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.358 -0.158 18978 8203 1 11 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.618 1.052 18978 8204 1 11 . 1 1 47 47 LYS H H 47 7.860 7.860 8.449 -0.589 18978 8205 1 11 . 1 1 48 48 PHE N N 48 118.270 118.270 124.010 -5.740 18978 8206 1 11 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.919 0.041 18978 8207 1 11 . 1 1 48 48 PHE C C 48 173.950 173.950 174.780 -0.830 18978 8208 1 11 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.041 -1.131 18978 8209 1 11 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.831 1.119 18978 8210 1 11 . 1 1 48 48 PHE H H 48 9.270 9.270 8.875 0.395 18978 8211 1 11 . 1 1 49 49 LYS N N 49 121.960 121.960 123.357 -1.397 18978 8212 1 11 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.899 0.011 18978 8213 1 11 . 1 1 49 49 LYS C C 49 176.230 176.230 175.477 0.753 18978 8214 1 11 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.452 -0.542 18978 8215 1 11 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.184 -1.014 18978 8216 1 11 . 1 1 49 49 LYS H H 49 9.170 9.170 8.566 0.604 18978 8217 1 11 . 1 1 50 50 VAL N N 50 127.140 127.140 127.602 -0.462 18978 8218 1 11 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.022 0.148 18978 8219 1 11 . 1 1 50 50 VAL C C 50 175.500 175.500 175.976 -0.476 18978 8220 1 11 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.507 -1.527 18978 8221 1 11 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.262 -1.772 18978 8222 1 11 . 1 1 50 50 VAL H H 50 9.400 9.400 8.202 1.198 18978 8223 1 11 . 1 1 51 51 VAL N N 51 132.840 132.840 129.102 3.738 18978 8224 1 11 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.855 -0.205 18978 8225 1 11 . 1 1 51 51 VAL C C 51 176.440 176.440 176.150 0.290 18978 8226 1 11 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.532 -0.602 18978 8227 1 11 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.220 -0.090 18978 8228 1 11 . 1 1 51 51 VAL H H 51 8.390 8.390 8.312 0.078 18978 8229 1 11 . 1 1 52 52 GLN N N 52 114.500 114.500 114.991 -0.491 18978 8230 1 11 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.514 -0.244 18978 8231 1 11 . 1 1 52 52 GLN C C 52 172.290 172.290 173.481 -1.191 18978 8232 1 11 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.134 1.506 18978 8233 1 11 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.608 -0.977 18978 8234 1 11 . 1 1 52 52 GLN H H 52 7.470 7.470 7.529 -0.059 18978 8235 1 11 . 1 1 53 53 ALA N N 53 131.410 131.410 124.236 7.174 18978 8236 1 11 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.873 -0.043 18978 8237 1 11 . 1 1 53 53 ALA C C 53 174.270 174.270 175.426 -1.156 18978 8238 1 11 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.776 0.024 18978 8239 1 11 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.118 -2.018 18978 8240 1 11 . 1 1 53 53 ALA H H 53 8.200 8.200 8.356 -0.156 18978 8241 1 11 . 1 1 54 54 TYR N N 54 124.140 124.140 124.573 -0.433 18978 8242 1 11 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.979 -0.439 18978 8243 1 11 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.736 -1.466 18978 8244 1 11 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.001 -0.641 18978 8245 1 11 . 1 1 54 54 TYR H H 54 8.860 8.860 8.603 0.257 18978 8246 1 11 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.249 -0.129 18978 8247 1 11 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.245 1.205 18978 8248 1 11 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.657 1.513 18978 8249 1 11 . 1 1 56 56 SER N N 56 106.200 106.200 115.155 -8.955 18978 8250 1 11 . 1 1 56 56 SER HA H 56 4.720 4.720 4.762 -0.042 18978 8251 1 11 . 1 1 56 56 SER CA C 56 54.250 54.250 56.203 -1.953 18978 8252 1 11 . 1 1 56 56 SER CB C 56 64.530 64.530 63.834 0.696 18978 8253 1 11 . 1 1 56 56 SER H H 56 7.380 7.380 8.173 -0.793 18978 8254 1 11 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.414 0.466 18978 8255 1 11 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.868 0.122 18978 8256 1 11 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.677 2.543 18978 8257 1 11 . 1 1 58 58 LEU N N 58 120.480 120.480 121.695 -1.215 18978 8258 1 11 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.678 -0.248 18978 8259 1 11 . 1 1 58 58 LEU C C 58 174.570 174.570 174.869 -0.299 18978 8260 1 11 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.276 -0.376 18978 8261 1 11 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.107 -1.897 18978 8262 1 11 . 1 1 58 58 LEU H H 58 8.960 8.960 8.415 0.545 18978 8263 1 11 . 1 1 59 59 ARG N N 59 125.180 125.180 125.934 -0.754 18978 8264 1 11 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.568 0.362 18978 8265 1 11 . 1 1 59 59 ARG C C 59 175.460 175.460 175.440 0.020 18978 8266 1 11 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.928 -0.888 18978 8267 1 11 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.738 -1.188 18978 8268 1 11 . 1 1 59 59 ARG H H 59 8.130 8.130 8.546 -0.416 18978 8269 1 11 . 1 1 60 60 VAL N N 60 128.170 128.170 127.277 0.893 18978 8270 1 11 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.005 -0.595 18978 8271 1 11 . 1 1 60 60 VAL C C 60 175.460 175.460 174.363 1.097 18978 8272 1 11 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.147 2.063 18978 8273 1 11 . 1 1 60 60 VAL CB C 60 29.840 29.840 32.141 -2.301 18978 8274 1 11 . 1 1 60 60 VAL H H 60 8.450 8.450 8.187 0.263 18978 8275 1 11 . 1 1 61 61 GLU N N 61 127.670 127.670 127.033 0.637 18978 8276 1 11 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.570 0.300 18978 8277 1 11 . 1 1 61 61 GLU C C 61 176.960 176.960 176.430 0.530 18978 8278 1 11 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.065 0.265 18978 8279 1 11 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.273 0.007 18978 8280 1 11 . 1 1 61 61 GLU H H 61 8.620 8.620 8.068 0.552 18978 8281 1 11 . 1 1 62 62 ASP N N 62 121.140 121.140 124.114 -2.974 18978 8282 1 11 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.320 -0.170 18978 8283 1 11 . 1 1 62 62 ASP C C 62 177.460 177.460 176.598 0.862 18978 8284 1 11 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.125 0.495 18978 8285 1 11 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.766 -0.406 18978 8286 1 11 . 1 1 62 62 ASP H H 62 8.700 8.700 8.847 -0.147 18978 8287 1 11 . 1 1 63 63 ARG N N 63 112.890 112.890 115.418 -2.528 18978 8288 1 11 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.324 -0.044 18978 8289 1 11 . 1 1 63 63 ARG C C 63 176.510 176.510 176.265 0.245 18978 8290 1 11 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.115 -0.665 18978 8291 1 11 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.970 0.020 18978 8292 1 11 . 1 1 63 63 ARG H H 63 7.760 7.760 7.779 -0.019 18978 8293 1 11 . 1 1 64 64 THR N N 64 120.650 120.650 118.319 2.331 18978 8294 1 11 . 1 1 64 64 THR HA H 64 4.020 4.020 4.321 -0.301 18978 8295 1 11 . 1 1 64 64 THR C C 64 173.810 173.810 174.265 -0.455 18978 8296 1 11 . 1 1 64 64 THR CA C 64 64.060 64.060 63.382 0.678 18978 8297 1 11 . 1 1 64 64 THR CB C 64 69.350 69.350 69.787 -0.437 18978 8298 1 11 . 1 1 64 64 THR H H 64 7.700 7.700 7.681 0.019 18978 8299 1 11 . 1 1 65 65 LYS N N 65 130.950 130.950 126.670 4.280 18978 8300 1 11 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.478 -0.208 18978 8301 1 11 . 1 1 65 65 LYS C C 65 174.560 174.560 175.186 -0.626 18978 8302 1 11 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.040 0.240 18978 8303 1 11 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.487 -0.367 18978 8304 1 11 . 1 1 65 65 LYS H H 65 8.520 8.520 8.327 0.193 18978 8305 1 11 . 1 1 66 66 ILE N N 66 128.020 128.020 125.742 2.278 18978 8306 1 11 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.730 0.120 18978 8307 1 11 . 1 1 66 66 ILE C C 66 174.650 174.650 175.959 -1.309 18978 8308 1 11 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.224 -0.404 18978 8309 1 11 . 1 1 66 66 ILE CB C 66 38.280 38.280 39.871 -1.591 18978 8310 1 11 . 1 1 66 66 ILE H H 66 8.430 8.430 8.568 -0.138 18978 8311 1 11 . 1 1 67 67 THR N N 67 123.870 123.870 122.996 0.874 18978 8312 1 11 . 1 1 67 67 THR HA H 67 4.470 4.470 4.753 -0.283 18978 8313 1 11 . 1 1 67 67 THR C C 67 172.760 172.760 172.607 0.153 18978 8314 1 11 . 1 1 67 67 THR CA C 67 60.740 60.740 61.148 -0.408 18978 8315 1 11 . 1 1 67 67 THR CB C 67 71.320 71.320 70.740 0.580 18978 8316 1 11 . 1 1 67 67 THR H H 67 8.870 8.870 8.440 0.430 18978 8317 1 11 . 1 1 68 68 LEU N N 68 127.070 127.070 128.272 -1.202 18978 8318 1 11 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.977 0.163 18978 8319 1 11 . 1 1 68 68 LEU C C 68 176.610 176.610 176.148 0.462 18978 8320 1 11 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.865 -0.585 18978 8321 1 11 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.503 -0.903 18978 8322 1 11 . 1 1 68 68 LEU H H 68 8.820 8.820 8.638 0.182 18978 8323 1 11 . 1 1 69 69 VAL N N 69 124.120 124.120 128.078 -3.958 18978 8324 1 11 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.258 0.002 18978 8325 1 11 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.820 -0.470 18978 8326 1 11 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.686 0.104 18978 8327 1 11 . 1 1 69 69 VAL H H 69 8.800 8.800 8.442 0.358 18978 8328 1 11 . 1 1 70 70 THR N N 70 114.500 114.500 121.861 -7.361 18978 8329 1 11 . 1 1 70 70 THR HA H 70 4.410 4.410 4.394 0.016 18978 8330 1 11 . 1 1 70 70 THR CA C 70 60.800 60.800 61.590 -0.790 18978 8331 1 11 . 1 1 70 70 THR CB C 70 69.650 69.650 69.828 -0.178 18978 8332 1 11 . 1 1 70 70 THR H H 70 8.160 8.160 8.307 -0.147 18978 8333 1 11 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.558 -0.628 18978 8334 1 11 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.808 1.712 18978 8335 1 11 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.266 1.874 18978 8336 1 11 . 1 1 73 73 VAL N N 73 117.500 117.500 118.445 -0.945 18978 8337 1 11 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.262 0.258 18978 8338 1 11 . 1 1 73 73 VAL C C 73 174.100 174.100 175.838 -1.738 18978 8339 1 11 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.788 -0.778 18978 8340 1 11 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.755 0.575 18978 8341 1 11 . 1 1 73 73 VAL H H 73 7.410 7.410 7.948 -0.538 18978 8342 1 11 . 1 1 74 74 ASP N N 74 124.500 124.500 121.910 2.590 18978 8343 1 11 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.873 0.037 18978 8344 1 11 . 1 1 74 74 ASP C C 74 174.000 174.000 175.556 -1.556 18978 8345 1 11 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.783 -0.334 18978 8346 1 11 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.504 1.846 18978 8347 1 11 . 1 1 74 74 ASP H H 74 8.290 8.290 8.377 -0.087 18978 8348 1 11 . 1 1 75 75 VAL N N 75 122.400 122.400 124.729 -2.329 18978 8349 1 11 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.337 0.353 18978 8350 1 11 . 1 1 75 75 VAL C C 75 174.600 174.600 175.318 -0.718 18978 8351 1 11 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.651 -0.451 18978 8352 1 11 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.133 0.198 18978 8353 1 11 . 1 1 75 75 VAL H H 75 7.780 7.780 8.411 -0.631 18978 8354 1 11 . 1 1 76 76 LEU N N 76 130.300 130.300 128.419 1.881 18978 8355 1 11 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.611 0.109 18978 8356 1 11 . 1 1 76 76 LEU C C 76 174.400 174.400 176.290 -1.890 18978 8357 1 11 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.423 -0.793 18978 8358 1 11 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.860 1.100 18978 8359 1 11 . 1 1 76 76 LEU H H 76 9.200 9.200 8.452 0.748 18978 8360 1 11 . 1 1 77 77 GLU N N 77 118.600 118.600 122.878 -4.278 18978 8361 1 11 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.565 0.755 18978 8362 1 11 . 1 1 77 77 GLU C C 77 174.900 174.900 174.990 -0.090 18978 8363 1 11 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.793 -1.703 18978 8364 1 11 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.203 1.997 18978 8365 1 11 . 1 1 77 77 GLU H H 77 8.010 8.010 8.546 -0.536 18978 8366 1 11 . 1 1 78 78 ALA N N 78 124.500 124.500 125.155 -0.655 18978 8367 1 11 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.566 0.074 18978 8368 1 11 . 1 1 78 78 ALA C C 78 175.500 175.500 176.988 -1.488 18978 8369 1 11 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.582 -0.902 18978 8370 1 11 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.324 0.486 18978 8371 1 11 . 1 1 78 78 ALA H H 78 8.800 8.800 8.242 0.558 18978 8372 1 11 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.363 0.117 18978 8373 1 11 . 1 1 79 79 LYS C C 79 174.700 174.700 175.651 -0.951 18978 8374 1 11 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.155 -0.055 18978 8375 1 11 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.341 -1.401 18978 8376 1 11 . 1 1 80 80 ILE N N 80 127.300 127.300 125.148 2.152 18978 8377 1 11 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.277 -0.197 18978 8378 1 11 . 1 1 80 80 ILE C C 80 172.700 172.700 174.750 -2.050 18978 8379 1 11 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.200 -0.260 18978 8380 1 11 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.695 2.235 18978 8381 1 11 . 1 1 80 80 ILE H H 80 7.380 7.380 8.492 -1.112 18978 8382 1 11 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.597 -0.317 18978 8383 1 11 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.117 0.003 18978 8384 1 11 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.417 -0.667 18978 8385 1 11 . 1 1 82 82 GLY N N 82 113.000 113.000 110.761 2.239 18978 8386 1 11 . 1 1 82 82 GLY C C 82 174.600 174.600 173.724 0.876 18978 8387 1 11 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.621 2.249 18978 8388 1 11 . 1 1 82 82 GLY H H 82 8.210 8.210 8.760 -0.550 18978 8389 1 11 . 1 1 83 83 ILE N N 83 121.200 121.200 118.797 2.403 18978 8390 1 11 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.942 -0.602 18978 8391 1 11 . 1 1 83 83 ILE C C 83 175.000 175.000 176.204 -1.204 18978 8392 1 11 . 1 1 83 83 ILE CA C 83 64.710 64.710 61.624 3.086 18978 8393 1 11 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.235 -0.745 18978 8394 1 11 . 1 1 83 83 ILE H H 83 8.350 8.350 7.897 0.453 18978 8395 1 11 . 1 1 84 84 LYS N N 84 129.400 129.400 128.914 0.486 18978 8396 1 11 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.327 0.163 18978 8397 1 11 . 1 1 84 84 LYS C C 84 175.000 175.000 176.390 -1.390 18978 8398 1 11 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.066 -0.996 18978 8399 1 11 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.100 0.390 18978 8400 1 11 . 1 1 84 84 LYS H H 84 9.160 9.160 8.781 0.379 18978 8401 1 11 . 1 1 85 85 ASP N N 85 117.500 117.500 117.043 0.457 18978 8402 1 11 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.869 -0.089 18978 8403 1 11 . 1 1 85 85 ASP C C 85 173.200 173.200 173.731 -0.531 18978 8404 1 11 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.922 -0.832 18978 8405 1 11 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.178 -0.688 18978 8406 1 11 . 1 1 85 85 ASP H H 85 7.990 7.990 7.909 0.081 18978 8407 1 11 . 1 1 86 86 VAL N N 86 119.400 119.400 122.269 -2.869 18978 8408 1 11 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.523 0.647 18978 8409 1 11 . 1 1 86 86 VAL C C 86 172.500 172.500 175.053 -2.553 18978 8410 1 11 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.846 -1.096 18978 8411 1 11 . 1 1 86 86 VAL CB C 86 35.160 35.160 33.919 1.241 18978 8412 1 11 . 1 1 86 86 VAL H H 86 8.210 8.210 8.416 -0.206 18978 8413 1 11 . 1 1 87 87 ILE N N 87 127.100 127.100 128.060 -0.960 18978 8414 1 11 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.471 -0.261 18978 8415 1 11 . 1 1 87 87 ILE C C 87 173.600 173.600 174.228 -0.628 18978 8416 1 11 . 1 1 87 87 ILE CA C 87 60.470 60.470 59.312 1.158 18978 8417 1 11 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.065 2.425 18978 8418 1 11 . 1 1 87 87 ILE H H 87 9.190 9.190 8.732 0.458 18978 8419 1 11 . 1 1 88 88 LEU N N 88 125.700 125.700 127.419 -1.719 18978 8420 1 11 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.768 0.272 18978 8421 1 11 . 1 1 88 88 LEU C C 88 174.500 174.500 175.984 -1.484 18978 8422 1 11 . 1 1 88 88 LEU CA C 88 52.940 52.940 53.861 -0.922 18978 8423 1 11 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.684 -1.174 18978 8424 1 11 . 1 1 88 88 LEU H H 88 7.840 7.840 8.506 -0.666 18978 8425 1 11 . 1 1 89 89 ASP N N 89 127.800 127.800 122.632 5.168 18978 8426 1 11 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.064 -0.294 18978 8427 1 11 . 1 1 89 89 ASP C C 89 174.100 174.100 176.995 -2.895 18978 8428 1 11 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.468 0.152 18978 8429 1 11 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.748 -0.678 18978 8430 1 11 . 1 1 89 89 ASP H H 89 8.280 8.280 8.648 -0.368 18978 8431 1 11 . 1 1 90 90 GLU N N 90 122.400 122.400 122.710 -0.310 18978 8432 1 11 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.055 -0.205 18978 8433 1 11 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.108 -0.278 18978 8434 1 11 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.453 -0.043 18978 8435 1 11 . 1 1 90 90 GLU H H 90 8.980 8.980 8.716 0.264 18978 8436 1 11 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.830 -0.550 18978 8437 1 11 . 1 1 91 91 ASN C C 91 173.600 173.600 173.353 0.247 18978 8438 1 11 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.889 1.271 18978 8439 1 11 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.715 0.186 18978 8440 1 11 . 1 1 92 92 LEU N N 92 117.400 117.400 119.898 -2.498 18978 8441 1 11 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.746 0.284 18978 8442 1 11 . 1 1 92 92 LEU C C 92 174.700 174.700 174.206 0.494 18978 8443 1 11 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.717 -1.017 18978 8444 1 11 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.854 0.396 18978 8445 1 11 . 1 1 92 92 LEU H H 92 7.110 7.110 7.820 -0.710 18978 8446 1 11 . 1 1 93 93 ILE N N 93 121.300 121.300 122.120 -0.820 18978 8447 1 11 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.523 -0.073 18978 8448 1 11 . 1 1 93 93 ILE C C 93 174.000 174.000 174.264 -0.264 18978 8449 1 11 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.790 0.180 18978 8450 1 11 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.340 0.290 18978 8451 1 11 . 1 1 93 93 ILE H H 93 8.450 8.450 8.494 -0.044 18978 8452 1 11 . 1 1 94 94 VAL N N 94 128.000 128.000 128.218 -0.218 18978 8453 1 11 . 1 1 94 94 VAL HA H 94 4.840 4.840 5.051 -0.211 18978 8454 1 11 . 1 1 94 94 VAL C C 94 174.000 174.000 174.707 -0.707 18978 8455 1 11 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.194 0.906 18978 8456 1 11 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.700 -1.579 18978 8457 1 11 . 1 1 94 94 VAL H H 94 8.970 8.970 8.561 0.409 18978 8458 1 11 . 1 1 95 95 VAL N N 95 127.700 127.700 128.124 -0.424 18978 8459 1 11 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.500 0.170 18978 8460 1 11 . 1 1 95 95 VAL C C 95 173.300 173.300 174.698 -1.398 18978 8461 1 11 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.548 -0.708 18978 8462 1 11 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.408 -0.168 18978 8463 1 11 . 1 1 95 95 VAL H H 95 9.420 9.420 8.670 0.750 18978 8464 1 11 . 1 1 96 96 ILE N N 96 126.000 126.000 127.508 -1.508 18978 8465 1 11 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.978 0.242 18978 8466 1 11 . 1 1 96 96 ILE C C 96 177.100 177.100 175.671 1.429 18978 8467 1 11 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.854 -0.284 18978 8468 1 11 . 1 1 96 96 ILE CB C 96 40.750 40.750 39.968 0.782 18978 8469 1 11 . 1 1 96 96 ILE H H 96 8.460 8.460 8.662 -0.202 18978 8470 1 11 . 1 1 97 97 THR N N 97 118.100 118.100 118.108 -0.008 18978 8471 1 11 . 1 1 97 97 THR HA H 97 5.250 5.250 4.840 0.410 18978 8472 1 11 . 1 1 97 97 THR C C 97 176.300 176.300 176.164 0.136 18978 8473 1 11 . 1 1 97 97 THR CA C 97 59.650 59.650 59.950 -0.300 18978 8474 1 11 . 1 1 97 97 THR CB C 97 71.890 71.890 71.299 0.591 18978 8475 1 11 . 1 1 97 97 THR H H 97 9.050 9.050 8.491 0.559 18978 8476 1 11 . 1 1 98 98 GLU N N 98 120.100 120.100 122.391 -2.291 18978 8477 1 11 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.960 0.160 18978 8478 1 11 . 1 1 98 98 GLU C C 98 176.200 176.200 177.754 -1.554 18978 8479 1 11 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.560 -1.670 18978 8480 1 11 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.389 0.141 18978 8481 1 11 . 1 1 98 98 GLU H H 98 9.220 9.220 8.298 0.922 18978 8482 1 11 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.262 -0.112 18978 8483 1 11 . 1 1 99 99 GLU C C 99 174.200 174.200 175.637 -1.437 18978 8484 1 11 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.042 2.167 18978 8485 1 11 . 1 1 99 99 GLU CB C 99 29.870 29.870 29.262 0.608 18978 8486 1 11 . 1 1 100 100 ASN N N 100 113.200 113.200 115.172 -1.972 18978 8487 1 11 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.384 -0.274 18978 8488 1 11 . 1 1 100 100 ASN C C 100 173.700 173.700 173.469 0.231 18978 8489 1 11 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.586 -0.186 18978 8490 1 11 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.463 -0.603 18978 8491 1 11 . 1 1 100 100 ASN H H 100 8.020 8.020 8.023 -0.003 18978 8492 1 11 . 1 1 101 101 GLU N N 101 115.500 115.500 117.986 -2.486 18978 8493 1 11 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.760 0.390 18978 8494 1 11 . 1 1 101 101 GLU C C 101 174.900 174.900 174.335 0.565 18978 8495 1 11 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.029 0.021 18978 8496 1 11 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.261 -1.861 18978 8497 1 11 . 1 1 101 101 GLU H H 101 7.230 7.230 7.388 -0.158 18978 8498 1 11 . 1 1 102 102 VAL N N 102 122.700 122.700 124.025 -1.325 18978 8499 1 11 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.655 0.265 18978 8500 1 11 . 1 1 102 102 VAL C C 102 173.700 173.700 174.322 -0.622 18978 8501 1 11 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.085 -0.165 18978 8502 1 11 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.196 0.614 18978 8503 1 11 . 1 1 102 102 VAL H H 102 8.710 8.710 8.834 -0.124 18978 8504 1 11 . 1 1 103 103 LEU N N 103 127.300 127.300 128.649 -1.349 18978 8505 1 11 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.770 -0.470 18978 8506 1 11 . 1 1 103 103 LEU C C 103 174.500 174.500 175.401 -0.901 18978 8507 1 11 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.764 0.056 18978 8508 1 11 . 1 1 103 103 LEU H H 103 9.140 9.140 8.442 0.698 18978 8509 1 11 . 1 1 104 104 ILE N N 104 122.200 122.200 121.868 0.332 18978 8510 1 11 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.744 -0.004 18978 8511 1 11 . 1 1 104 104 ILE C C 104 173.600 173.600 174.643 -1.043 18978 8512 1 11 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.364 -0.144 18978 8513 1 11 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.688 -0.538 18978 8514 1 11 . 1 1 104 104 ILE H H 104 8.470 8.470 8.188 0.282 18978 8515 1 11 . 1 1 105 105 PHE N N 105 126.600 126.600 125.414 1.186 18978 8516 1 11 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.636 -0.066 18978 8517 1 11 . 1 1 105 105 PHE C C 105 175.800 175.800 175.297 0.503 18978 8518 1 11 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.896 -0.446 18978 8519 1 11 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.431 1.239 18978 8520 1 11 . 1 1 105 105 PHE H H 105 9.330 9.330 9.096 0.234 18978 8521 1 11 . 1 1 106 106 ASN N N 106 116.000 116.000 118.405 -2.405 18978 8522 1 11 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.036 0.434 18978 8523 1 11 . 1 1 106 106 ASN C C 106 176.700 176.700 177.095 -0.395 18978 8524 1 11 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.265 -0.765 18978 8525 1 11 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.452 -0.852 18978 8526 1 11 . 1 1 106 106 ASN H H 106 7.710 7.710 8.239 -0.529 18978 8527 1 11 . 1 1 107 107 GLN N N 107 114.500 114.500 119.473 -4.973 18978 8528 1 11 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.025 -0.135 18978 8529 1 11 . 1 1 107 107 GLN C C 107 173.700 173.700 176.013 -2.313 18978 8530 1 11 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.907 -1.397 18978 8531 1 11 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.432 -1.342 18978 8532 1 11 . 1 1 107 107 GLN H H 107 8.040 8.040 8.813 -0.773 18978 8533 1 11 . 1 1 108 108 ASN N N 108 115.800 115.800 115.831 -0.031 18978 8534 1 11 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.619 0.051 18978 8535 1 11 . 1 1 108 108 ASN C C 108 173.600 173.600 175.164 -1.564 18978 8536 1 11 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.909 -0.819 18978 8537 1 11 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.223 0.637 18978 8538 1 11 . 1 1 108 108 ASN H H 108 7.440 7.440 8.141 -0.701 18978 8539 1 11 . 1 1 109 109 LEU N N 109 115.200 115.200 118.975 -3.775 18978 8540 1 11 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.839 -0.309 18978 8541 1 11 . 1 1 109 109 LEU C C 109 174.700 174.700 175.052 -0.352 18978 8542 1 11 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.147 -0.377 18978 8543 1 11 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.335 -1.635 18978 8544 1 11 . 1 1 109 109 LEU H H 109 8.220 8.220 7.664 0.556 18978 8545 1 11 . 1 1 110 110 GLU N N 110 117.600 117.600 119.095 -1.495 18978 8546 1 11 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.746 -0.326 18978 8547 1 11 . 1 1 110 110 GLU C C 110 175.800 175.800 175.747 0.053 18978 8548 1 11 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.864 0.316 18978 8549 1 11 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.473 -2.653 18978 8550 1 11 . 1 1 110 110 GLU H H 110 7.550 7.550 8.273 -0.723 18978 8551 1 11 . 1 1 111 111 GLU N N 111 125.900 125.900 124.436 1.464 18978 8552 1 11 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.098 -0.268 18978 8553 1 11 . 1 1 111 111 GLU C C 111 175.400 175.400 176.053 -0.653 18978 8554 1 11 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.936 -0.296 18978 8555 1 11 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.839 0.781 18978 8556 1 11 . 1 1 111 111 GLU H H 111 8.350 8.350 9.003 -0.653 18978 8557 1 11 . 1 1 112 112 LEU N N 112 128.000 128.000 128.339 -0.339 18978 8558 1 11 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.433 -0.163 18978 8559 1 11 . 1 1 112 112 LEU C C 112 176.100 176.100 176.541 -0.441 18978 8560 1 11 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.394 -0.364 18978 8561 1 11 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.944 -1.174 18978 8562 1 11 . 1 1 112 112 LEU H H 112 9.110 9.110 8.331 0.779 18978 8563 1 11 . 1 1 113 113 TYR N N 113 116.300 116.300 119.475 -3.175 18978 8564 1 11 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.654 -0.324 18978 8565 1 11 . 1 1 113 113 TYR C C 113 171.700 171.700 173.068 -1.368 18978 8566 1 11 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.213 0.747 18978 8567 1 11 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.099 -0.379 18978 8568 1 11 . 1 1 113 113 TYR H H 113 7.250 7.250 7.433 -0.183 18978 8569 1 11 . 1 1 114 114 ARG N N 114 126.200 126.200 127.116 -0.916 18978 8570 1 11 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.795 0.225 18978 8571 1 11 . 1 1 114 114 ARG C C 114 173.500 173.500 174.419 -0.919 18978 8572 1 11 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.779 -0.159 18978 8573 1 11 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.348 1.102 18978 8574 1 11 . 1 1 114 114 ARG H H 114 6.560 6.560 8.027 -1.467 18978 8575 1 11 . 1 1 115 115 GLY N N 115 111.300 111.300 112.677 -1.377 18978 8576 1 11 . 1 1 115 115 GLY C C 115 178.100 178.100 171.257 6.843 18978 8577 1 11 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.581 -0.171 18978 8578 1 11 . 1 1 115 115 GLY H H 115 8.320 8.320 8.278 0.042 18978 8579 1 11 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.495 0.275 18978 8580 1 11 . 1 1 116 116 LYS C C 116 174.400 174.400 174.573 -0.173 18978 8581 1 11 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.187 0.003 18978 8582 1 11 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.455 -1.115 18978 8583 1 11 . 1 1 117 117 PHE N N 117 125.800 125.800 123.374 2.426 18978 8584 1 11 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.849 -0.299 18978 8585 1 11 . 1 1 117 117 PHE C C 117 174.000 174.000 176.398 -2.398 18978 8586 1 11 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.960 -0.110 18978 8587 1 11 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.651 0.509 18978 8588 1 11 . 1 1 117 117 PHE H H 117 8.090 8.090 8.444 -0.354 18978 8589 1 11 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.841 -0.181 18978 8590 1 11 . 1 1 119 119 ASN C C 119 173.500 173.500 174.048 -0.548 18978 8591 1 11 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.554 -0.074 18978 8592 1 11 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.586 -0.396 18978 8593 1 11 . 1 1 120 120 LEU N N 120 120.200 120.200 122.228 -2.028 18978 8594 1 11 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.144 -0.314 18978 8595 1 11 . 1 1 120 120 LEU C C 120 175.000 175.000 176.130 -1.130 18978 8596 1 11 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.246 0.024 18978 8597 1 11 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.208 0.562 18978 8598 1 11 . 1 1 120 120 LEU H H 120 6.900 6.900 7.731 -0.831 18978 8599 1 11 . 1 1 121 121 ASN N N 121 124.200 124.200 124.674 -0.474 18978 8600 1 11 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.935 -0.045 18978 8601 1 11 . 1 1 121 121 ASN C C 121 174.300 174.300 174.725 -0.425 18978 8602 1 11 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.426 -0.546 18978 8603 1 11 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.019 0.421 18978 8604 1 11 . 1 1 121 121 ASN H H 121 8.900 8.900 8.642 0.258 18978 8605 1 11 . 1 1 122 122 LYS N N 122 115.100 115.100 119.501 -4.401 18978 8606 1 11 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.576 -0.106 18978 8607 1 11 . 1 1 122 122 LYS C C 122 172.500 172.500 174.047 -1.547 18978 8608 1 11 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.583 0.117 18978 8609 1 11 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.593 -0.933 18978 8610 1 11 . 1 1 122 122 LYS H H 122 7.410 7.410 7.796 -0.387 18978 8611 1 11 . 1 1 123 123 VAL N N 123 121.500 121.500 120.850 0.650 18978 8612 1 11 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.439 0.381 18978 8613 1 11 . 1 1 123 123 VAL C C 123 173.400 173.400 175.284 -1.884 18978 8614 1 11 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.078 -0.388 18978 8615 1 11 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.149 1.001 18978 8616 1 11 . 1 1 123 123 VAL H H 123 7.730 7.730 8.387 -0.657 18978 8617 1 11 . 1 1 124 124 LEU N N 124 126.600 126.600 129.328 -2.728 18978 8618 1 11 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.856 -0.136 18978 8619 1 11 . 1 1 124 124 LEU C C 124 174.200 174.200 175.118 -0.918 18978 8620 1 11 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.324 -0.944 18978 8621 1 11 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.318 0.792 18978 8622 1 11 . 1 1 124 124 LEU H H 124 9.060 9.060 8.468 0.592 18978 8623 1 11 . 1 1 125 125 VAL N N 125 120.300 120.300 118.629 1.671 18978 8624 1 11 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.715 -0.045 18978 8625 1 11 . 1 1 125 125 VAL C C 125 174.700 174.700 174.603 0.097 18978 8626 1 11 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.340 -0.050 18978 8627 1 11 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.650 -0.400 18978 8628 1 11 . 1 1 125 125 VAL H H 125 8.030 8.030 8.327 -0.297 18978 8629 1 11 . 1 1 126 126 ARG N N 126 127.100 127.100 121.926 5.174 18978 8630 1 11 . 1 1 126 126 ARG HA H 126 4.470 4.470 5.026 -0.556 18978 8631 1 11 . 1 1 126 126 ARG C C 126 174.400 174.400 174.912 -0.512 18978 8632 1 11 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.908 0.922 18978 8633 1 11 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.605 -1.305 18978 8634 1 11 . 1 1 126 126 ARG H H 126 8.630 8.630 8.498 0.132 18978 8635 1 11 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.353 -0.063 18978 8636 1 11 . 1 1 127 127 ASN C C 127 172.600 172.600 174.718 -2.118 18978 8637 1 11 . 1 1 127 127 ASN CA C 127 56.060 56.060 54.921 1.139 18978 8638 1 11 . 1 1 127 127 ASN CB C 127 36.950 36.950 38.551 -1.601 18978 8639 1 11 . 1 1 128 128 ASP N N 128 117.600 117.600 118.594 -0.994 18978 8640 1 11 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.506 -0.057 18978 8641 1 11 . 1 1 128 128 ASP C C 128 174.000 174.000 174.916 -0.916 18978 8642 1 11 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.582 -1.062 18978 8643 1 11 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.653 -0.843 18978 8644 1 11 . 1 1 128 128 ASP H H 128 8.560 8.560 8.392 0.168 18978 8645 1 11 . 1 1 129 129 LEU N N 129 121.500 121.500 121.181 0.319 18978 8646 1 11 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.839 0.231 18978 8647 1 11 . 1 1 129 129 LEU C C 129 174.800 174.800 174.126 0.674 18978 8648 1 11 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.322 -0.522 18978 8649 1 11 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.806 -0.686 18978 8650 1 11 . 1 1 129 129 LEU H H 129 7.730 7.730 7.408 0.322 18978 8651 1 11 . 1 1 130 130 VAL N N 130 120.600 120.600 119.403 1.197 18978 8652 1 11 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.752 -0.042 18978 8653 1 11 . 1 1 130 130 VAL C C 130 173.500 173.500 173.507 -0.007 18978 8654 1 11 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.938 0.582 18978 8655 1 11 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.923 -1.173 18978 8656 1 11 . 1 1 130 130 VAL H H 130 8.410 8.410 8.153 0.257 18978 8657 1 11 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.903 -0.303 18978 8658 1 11 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.094 0.496 18978 8659 1 11 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.919 -2.059 18978 8660 1 11 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.283 0.017 18978 8661 1 11 . 1 1 132 132 ILE C C 132 174.900 174.900 174.345 0.555 18978 8662 1 11 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.405 0.075 18978 8663 1 11 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.198 -0.148 18978 8664 1 11 . 1 1 133 133 ILE N N 133 126.200 126.200 126.867 -0.667 18978 8665 1 11 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.422 0.248 18978 8666 1 11 . 1 1 133 133 ILE C C 133 174.200 174.200 174.162 0.038 18978 8667 1 11 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.581 1.349 18978 8668 1 11 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.695 1.425 18978 8669 1 11 . 1 1 133 133 ILE H H 133 8.490 8.490 8.439 0.051 18978 8670 1 11 . 1 1 134 134 ASP N N 134 130.100 130.100 125.695 4.405 18978 8671 1 11 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.332 -0.382 18978 8672 1 11 . 1 1 134 134 ASP C C 134 174.600 174.600 176.726 -2.126 18978 8673 1 11 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.961 0.429 18978 8674 1 11 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.019 -0.649 18978 8675 1 11 . 1 1 134 134 ASP H H 134 8.360 8.360 8.196 0.164 18978 8676 1 11 . 1 1 135 135 GLU N N 135 118.000 118.000 121.443 -3.443 18978 8677 1 11 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.957 0.253 18978 8678 1 11 . 1 1 135 135 GLU C C 135 176.200 176.200 177.272 -1.072 18978 8679 1 11 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.183 -0.433 18978 8680 1 11 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.599 0.691 18978 8681 1 11 . 1 1 135 135 GLU H H 135 7.840 7.840 8.631 -0.791 18978 8682 1 11 . 1 1 136 136 GLN N N 136 115.200 115.200 115.053 0.147 18978 8683 1 11 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.284 0.586 18978 8684 1 11 . 1 1 136 136 GLN C C 136 174.900 174.900 175.934 -1.034 18978 8685 1 11 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.793 -1.293 18978 8686 1 11 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.081 0.849 18978 8687 1 11 . 1 1 136 136 GLN H H 136 8.860 8.860 8.109 0.751 18978 8688 1 11 . 1 1 137 137 LYS N N 137 118.100 118.100 117.384 0.716 18978 8689 1 11 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.497 0.413 18978 8690 1 11 . 1 1 137 137 LYS C C 137 172.400 172.400 174.025 -1.625 18978 8691 1 11 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.030 0.870 18978 8692 1 11 . 1 1 137 137 LYS CB C 137 35.540 35.540 36.196 -0.656 18978 8693 1 11 . 1 1 137 137 LYS H H 137 8.260 8.260 8.139 0.121 18978 8694 1 11 . 1 1 138 138 LEU N N 138 123.500 123.500 123.427 0.073 18978 8695 1 11 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.781 0.079 18978 8696 1 11 . 1 1 138 138 LEU C C 138 174.400 174.400 176.076 -1.676 18978 8697 1 11 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.594 -0.084 18978 8698 1 11 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.438 0.522 18978 8699 1 11 . 1 1 138 138 LEU H H 138 8.410 8.410 8.509 -0.099 18978 8700 1 11 . 1 1 139 139 THR N N 139 123.600 123.600 123.252 0.348 18978 8701 1 11 . 1 1 139 139 THR HA H 139 4.830 4.830 4.650 0.180 18978 8702 1 11 . 1 1 139 139 THR C C 139 171.400 171.400 172.505 -1.105 18978 8703 1 11 . 1 1 139 139 THR CA C 139 62.240 62.240 61.699 0.541 18978 8704 1 11 . 1 1 139 139 THR CB C 139 70.120 70.120 69.997 0.123 18978 8705 1 11 . 1 1 139 139 THR H H 139 8.820 8.820 8.261 0.559 18978 8706 1 11 . 1 1 140 140 LEU N N 140 130.500 130.500 129.042 1.458 18978 8707 1 11 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.677 0.353 18978 8708 1 11 . 1 1 140 140 LEU C C 140 173.700 173.700 175.363 -1.663 18978 8709 1 11 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.095 -0.715 18978 8710 1 11 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.929 0.961 18978 8711 1 11 . 1 1 140 140 LEU H H 140 9.250 9.250 8.630 0.620 18978 8712 1 11 . 1 1 141 141 ILE N N 141 127.300 127.300 126.933 0.367 18978 8713 1 11 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.347 0.313 18978 8714 1 11 . 1 1 141 141 ILE C C 141 174.200 174.200 173.928 0.272 18978 8715 1 11 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.446 -0.936 18978 8716 1 11 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.579 -1.729 18978 8717 1 11 . 1 1 141 141 ILE H H 141 9.140 9.140 8.440 0.700 18978 8718 1 11 . 1 1 142 142 ARG N N 142 126.500 126.500 128.523 -2.023 18978 8719 1 11 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.583 0.297 18978 8720 1 11 . 1 1 142 142 ARG C C 142 175.100 175.100 175.650 -0.550 18978 8721 1 11 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.329 -0.789 18978 8722 1 11 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.137 -0.637 18978 8723 1 11 . 1 1 142 142 ARG H H 142 8.550 8.550 8.695 -0.145 18978 8724 1 12 . 1 1 -2 -2 GLY N N -2 110.000 110.000 112.809 -2.809 18978 8725 1 12 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.909 0.241 18978 8726 1 12 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.189 0.201 18978 8727 1 12 . 1 1 -1 -1 VAL N N -1 119.730 119.730 124.777 -5.047 18978 8728 1 12 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.249 -0.209 18978 8729 1 12 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.870 0.010 18978 8730 1 12 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.644 0.466 18978 8731 1 12 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.916 -0.156 18978 8732 1 12 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.221 -0.351 18978 8733 1 12 . 1 1 0 0 ILE N N 0 125.570 125.570 126.756 -1.186 18978 8734 1 12 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.465 -0.375 18978 8735 1 12 . 1 1 0 0 ILE C C 0 175.850 175.850 175.730 0.120 18978 8736 1 12 . 1 1 0 0 ILE CA C 0 60.800 60.800 59.950 0.850 18978 8737 1 12 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.479 -0.009 18978 8738 1 12 . 1 1 0 0 ILE H H 0 8.230 8.230 8.417 -0.187 18978 8739 1 12 . 1 1 1 1 MET N N 1 125.930 125.930 125.884 0.046 18978 8740 1 12 . 1 1 1 1 MET HA H 1 4.540 4.540 4.845 -0.305 18978 8741 1 12 . 1 1 1 1 MET C C 1 174.830 174.830 175.358 -0.528 18978 8742 1 12 . 1 1 1 1 MET CA C 1 54.790 54.790 55.417 -0.627 18978 8743 1 12 . 1 1 1 1 MET CB C 1 32.640 32.640 33.543 -0.903 18978 8744 1 12 . 1 1 1 1 MET H H 1 8.370 8.370 8.484 -0.114 18978 8745 1 12 . 1 1 2 2 SER N N 2 116.400 116.400 118.075 -1.675 18978 8746 1 12 . 1 1 2 2 SER HA H 2 5.030 5.030 5.065 -0.035 18978 8747 1 12 . 1 1 2 2 SER C C 2 174.330 174.330 173.558 0.772 18978 8748 1 12 . 1 1 2 2 SER CA C 2 57.320 57.320 57.143 0.177 18978 8749 1 12 . 1 1 2 2 SER CB C 2 64.790 64.790 64.921 -0.131 18978 8750 1 12 . 1 1 2 2 SER H H 2 7.990 7.990 8.546 -0.556 18978 8751 1 12 . 1 1 3 3 GLU N N 3 123.670 123.670 125.397 -1.727 18978 8752 1 12 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.396 -0.146 18978 8753 1 12 . 1 1 3 3 GLU C C 3 172.980 172.980 173.602 -0.622 18978 8754 1 12 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.575 -0.185 18978 8755 1 12 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.469 -0.559 18978 8756 1 12 . 1 1 3 3 GLU H H 3 9.430 9.430 8.686 0.744 18978 8757 1 12 . 1 1 4 4 LEU N N 4 125.350 125.350 126.230 -0.880 18978 8758 1 12 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.936 -0.066 18978 8759 1 12 . 1 1 4 4 LEU C C 4 174.000 174.000 174.494 -0.494 18978 8760 1 12 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.877 -0.857 18978 8761 1 12 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.004 0.036 18978 8762 1 12 . 1 1 4 4 LEU H H 4 8.930 8.930 8.584 0.346 18978 8763 1 12 . 1 1 5 5 LYS N N 5 124.640 124.640 126.519 -1.879 18978 8764 1 12 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.987 0.373 18978 8765 1 12 . 1 1 5 5 LYS C C 5 175.660 175.660 175.353 0.307 18978 8766 1 12 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.139 -0.199 18978 8767 1 12 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.995 0.285 18978 8768 1 12 . 1 1 5 5 LYS H H 5 8.840 8.840 8.388 0.452 18978 8769 1 12 . 1 1 6 6 LEU N N 6 123.460 123.460 124.820 -1.360 18978 8770 1 12 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.221 0.209 18978 8771 1 12 . 1 1 6 6 LEU C C 6 174.630 174.630 175.345 -0.715 18978 8772 1 12 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.243 -0.343 18978 8773 1 12 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.309 1.601 18978 8774 1 12 . 1 1 6 6 LEU H H 6 8.820 8.820 8.291 0.529 18978 8775 1 12 . 1 1 7 7 LYS N N 7 122.230 122.230 121.603 0.627 18978 8776 1 12 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.976 0.514 18978 8777 1 12 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.881 -0.611 18978 8778 1 12 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.700 0.800 18978 8779 1 12 . 1 1 7 7 LYS H H 7 9.110 9.110 8.474 0.636 18978 8780 1 12 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.030 -0.930 18978 8781 1 12 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.605 -0.165 18978 8782 1 12 . 1 1 8 8 PRO CB C 8 30.640 30.640 33.061 -2.421 18978 8783 1 12 . 1 1 9 9 LEU N N 9 123.250 123.250 122.867 0.383 18978 8784 1 12 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.461 -0.141 18978 8785 1 12 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.442 1.238 18978 8786 1 12 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.258 -1.498 18978 8787 1 12 . 1 1 9 9 LEU H H 9 8.490 8.490 8.053 0.438 18978 8788 1 12 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.468 0.062 18978 8789 1 12 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.277 0.603 18978 8790 1 12 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.032 -0.612 18978 8791 1 12 . 1 1 11 11 LYS N N 11 119.160 119.160 122.293 -3.133 18978 8792 1 12 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.349 -0.239 18978 8793 1 12 . 1 1 11 11 LYS C C 11 175.680 175.680 175.970 -0.290 18978 8794 1 12 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.224 -0.014 18978 8795 1 12 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.493 -0.833 18978 8796 1 12 . 1 1 11 11 LYS H H 11 8.180 8.180 8.419 -0.239 18978 8797 1 12 . 1 1 12 12 VAL N N 12 121.820 121.820 121.807 0.013 18978 8798 1 12 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.295 -0.015 18978 8799 1 12 . 1 1 12 12 VAL C C 12 173.690 173.690 174.557 -0.867 18978 8800 1 12 . 1 1 12 12 VAL CA C 12 59.830 59.830 61.074 -1.244 18978 8801 1 12 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.309 0.241 18978 8802 1 12 . 1 1 12 12 VAL H H 12 7.530 7.530 7.923 -0.393 18978 8803 1 12 . 1 1 13 13 GLU N N 13 125.610 125.610 125.133 0.477 18978 8804 1 12 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.419 -0.089 18978 8805 1 12 . 1 1 13 13 GLU C C 13 175.390 175.390 175.231 0.159 18978 8806 1 12 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.807 -0.587 18978 8807 1 12 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.156 -0.186 18978 8808 1 12 . 1 1 13 13 GLU H H 13 8.270 8.270 8.425 -0.155 18978 8809 1 12 . 1 1 14 14 LEU N N 14 125.880 125.880 128.324 -2.444 18978 8810 1 12 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.489 0.031 18978 8811 1 12 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.071 -0.411 18978 8812 1 12 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.169 -0.419 18978 8813 1 12 . 1 1 14 14 LEU H H 14 8.480 8.480 8.270 0.210 18978 8814 1 12 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.596 0.165 18978 8815 1 12 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.898 -0.567 18978 8816 1 12 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.333 -0.273 18978 8817 1 12 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.222 0.168 18978 8818 1 12 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.173 -0.623 18978 8819 1 12 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.819 -0.049 18978 8820 1 12 . 1 1 17 17 ASP N N 17 115.820 115.820 116.373 -0.553 18978 8821 1 12 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.559 0.061 18978 8822 1 12 . 1 1 17 17 ASP C C 17 177.100 177.100 177.559 -0.459 18978 8823 1 12 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.867 -0.977 18978 8824 1 12 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.425 -0.305 18978 8825 1 12 . 1 1 17 17 ASP H H 17 8.560 8.560 8.769 -0.209 18978 8826 1 12 . 1 1 18 18 PHE N N 18 119.610 119.610 121.992 -2.382 18978 8827 1 12 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.153 0.027 18978 8828 1 12 . 1 1 18 18 PHE C C 18 176.740 176.740 176.676 0.064 18978 8829 1 12 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.921 -0.901 18978 8830 1 12 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.420 -0.191 18978 8831 1 12 . 1 1 18 18 PHE H H 18 7.940 7.940 7.800 0.140 18978 8832 1 12 . 1 1 19 19 VAL N N 19 116.370 116.370 118.084 -1.714 18978 8833 1 12 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.532 -0.182 18978 8834 1 12 . 1 1 19 19 VAL C C 19 176.400 176.400 177.667 -1.267 18978 8835 1 12 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.854 -0.344 18978 8836 1 12 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.299 -0.279 18978 8837 1 12 . 1 1 19 19 VAL H H 19 8.010 8.010 7.975 0.035 18978 8838 1 12 . 1 1 20 20 ASP N N 20 119.190 119.190 119.441 -0.251 18978 8839 1 12 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.381 -0.071 18978 8840 1 12 . 1 1 20 20 ASP C C 20 178.360 178.360 178.638 -0.278 18978 8841 1 12 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.295 -0.185 18978 8842 1 12 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.454 -0.004 18978 8843 1 12 . 1 1 20 20 ASP H H 20 7.420 7.420 7.489 -0.069 18978 8844 1 12 . 1 1 21 21 VAL N N 21 119.830 119.830 120.015 -0.185 18978 8845 1 12 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.622 -0.112 18978 8846 1 12 . 1 1 21 21 VAL C C 21 178.100 178.100 178.292 -0.192 18978 8847 1 12 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.134 -0.564 18978 8848 1 12 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.265 0.145 18978 8849 1 12 . 1 1 21 21 VAL H H 21 7.190 7.190 7.415 -0.225 18978 8850 1 12 . 1 1 22 22 ILE N N 22 118.490 118.490 119.522 -1.032 18978 8851 1 12 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.540 -0.370 18978 8852 1 12 . 1 1 22 22 ILE C C 22 176.660 176.660 178.128 -1.468 18978 8853 1 12 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.801 1.419 18978 8854 1 12 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.186 1.314 18978 8855 1 12 . 1 1 22 22 ILE H H 22 7.660 7.660 7.653 0.007 18978 8856 1 12 . 1 1 23 23 ARG N N 23 118.260 118.260 120.469 -2.209 18978 8857 1 12 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.934 -0.554 18978 8858 1 12 . 1 1 23 23 ARG C C 23 178.060 178.060 178.860 -0.800 18978 8859 1 12 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.961 0.609 18978 8860 1 12 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.079 -0.009 18978 8861 1 12 . 1 1 23 23 ARG H H 23 7.830 7.830 7.782 0.048 18978 8862 1 12 . 1 1 24 24 ILE N N 24 116.750 116.750 119.097 -2.347 18978 8863 1 12 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.698 0.022 18978 8864 1 12 . 1 1 24 24 ILE C C 24 179.090 179.090 178.204 0.886 18978 8865 1 12 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.417 -0.357 18978 8866 1 12 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.777 0.253 18978 8867 1 12 . 1 1 24 24 ILE H H 24 7.350 7.350 7.669 -0.319 18978 8868 1 12 . 1 1 25 25 LYS N N 25 118.700 118.700 117.825 0.875 18978 8869 1 12 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.016 0.074 18978 8870 1 12 . 1 1 25 25 LYS C C 25 178.560 178.560 178.174 0.386 18978 8871 1 12 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.001 -1.351 18978 8872 1 12 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.885 -0.795 18978 8873 1 12 . 1 1 25 25 LYS H H 25 7.880 7.880 7.565 0.315 18978 8874 1 12 . 1 1 26 26 LEU N N 26 116.380 116.380 117.261 -0.881 18978 8875 1 12 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.211 0.019 18978 8876 1 12 . 1 1 26 26 LEU C C 26 175.880 175.880 177.156 -1.276 18978 8877 1 12 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.751 -1.661 18978 8878 1 12 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.850 0.460 18978 8879 1 12 . 1 1 26 26 LEU H H 26 7.860 7.860 7.820 0.040 18978 8880 1 12 . 1 1 27 27 GLN N N 27 119.210 119.210 117.287 1.923 18978 8881 1 12 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.942 -0.412 18978 8882 1 12 . 1 1 27 27 GLN C C 27 177.480 177.480 177.135 0.345 18978 8883 1 12 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.395 0.975 18978 8884 1 12 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.715 -0.415 18978 8885 1 12 . 1 1 27 27 GLN H H 27 7.190 7.190 7.570 -0.380 18978 8886 1 12 . 1 1 28 28 GLY N N 28 113.490 113.490 113.564 -0.074 18978 8887 1 12 . 1 1 28 28 GLY C C 28 174.070 174.070 173.982 0.088 18978 8888 1 12 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.068 0.212 18978 8889 1 12 . 1 1 28 28 GLY H H 28 8.940 8.940 8.786 0.154 18978 8890 1 12 . 1 1 29 29 LYS N N 29 122.060 122.060 122.161 -0.101 18978 8891 1 12 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.732 -0.332 18978 8892 1 12 . 1 1 29 29 LYS C C 29 175.560 175.560 175.807 -0.247 18978 8893 1 12 . 1 1 29 29 LYS CA C 29 55.660 55.660 54.553 1.107 18978 8894 1 12 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.737 -0.867 18978 8895 1 12 . 1 1 29 29 LYS H H 29 8.350 8.350 7.867 0.483 18978 8896 1 12 . 1 1 30 30 THR N N 30 118.150 118.150 116.647 1.503 18978 8897 1 12 . 1 1 30 30 THR HA H 30 5.330 5.330 5.135 0.195 18978 8898 1 12 . 1 1 30 30 THR C C 30 174.860 174.860 174.364 0.496 18978 8899 1 12 . 1 1 30 30 THR CA C 30 62.040 62.040 61.326 0.714 18978 8900 1 12 . 1 1 30 30 THR CB C 30 69.420 69.420 70.270 -0.850 18978 8901 1 12 . 1 1 30 30 THR H H 30 8.410 8.410 8.336 0.074 18978 8902 1 12 . 1 1 31 31 VAL N N 31 122.510 122.510 119.776 2.734 18978 8903 1 12 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.616 -0.046 18978 8904 1 12 . 1 1 31 31 VAL C C 31 172.970 172.970 173.599 -0.629 18978 8905 1 12 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.751 -0.301 18978 8906 1 12 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.577 1.303 18978 8907 1 12 . 1 1 31 31 VAL H H 31 9.140 9.140 8.925 0.215 18978 8908 1 12 . 1 1 32 32 ARG N N 32 120.640 120.640 121.258 -0.618 18978 8909 1 12 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.846 -0.096 18978 8910 1 12 . 1 1 32 32 ARG C C 32 175.650 175.650 175.536 0.114 18978 8911 1 12 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.293 -0.643 18978 8912 1 12 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.373 -0.503 18978 8913 1 12 . 1 1 32 32 ARG H H 32 8.420 8.420 8.819 -0.399 18978 8914 1 12 . 1 1 33 33 THR N N 33 118.590 118.590 117.238 1.352 18978 8915 1 12 . 1 1 33 33 THR HA H 33 3.410 3.410 3.801 -0.391 18978 8916 1 12 . 1 1 33 33 THR C C 33 175.020 175.020 175.734 -0.714 18978 8917 1 12 . 1 1 33 33 THR CA C 33 65.660 65.660 64.792 0.868 18978 8918 1 12 . 1 1 33 33 THR CB C 33 69.400 69.400 68.725 0.675 18978 8919 1 12 . 1 1 33 33 THR H H 33 8.370 8.370 8.564 -0.194 18978 8920 1 12 . 1 1 34 34 GLY N N 34 117.350 117.350 115.620 1.730 18978 8921 1 12 . 1 1 34 34 GLY C C 34 174.350 174.350 174.586 -0.236 18978 8922 1 12 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.787 0.213 18978 8923 1 12 . 1 1 34 34 GLY H H 34 9.090 9.090 8.698 0.392 18978 8924 1 12 . 1 1 35 35 ASP N N 35 122.240 122.240 122.905 -0.665 18978 8925 1 12 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.675 -0.205 18978 8926 1 12 . 1 1 35 35 ASP C C 35 174.570 174.570 175.272 -0.702 18978 8927 1 12 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.484 0.086 18978 8928 1 12 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.977 -0.297 18978 8929 1 12 . 1 1 35 35 ASP H H 35 8.010 8.010 7.785 0.225 18978 8930 1 12 . 1 1 36 36 VAL N N 36 119.860 119.860 121.344 -1.484 18978 8931 1 12 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.718 0.232 18978 8932 1 12 . 1 1 36 36 VAL C C 36 176.330 176.330 175.883 0.447 18978 8933 1 12 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.511 0.199 18978 8934 1 12 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.852 -0.952 18978 8935 1 12 . 1 1 36 36 VAL H H 36 8.330 8.330 8.392 -0.062 18978 8936 1 12 . 1 1 37 37 ILE N N 37 124.990 124.990 128.544 -3.554 18978 8937 1 12 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.526 0.104 18978 8938 1 12 . 1 1 37 37 ILE C C 37 174.400 174.400 174.839 -0.439 18978 8939 1 12 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.471 -1.481 18978 8940 1 12 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.349 0.461 18978 8941 1 12 . 1 1 37 37 ILE H H 37 9.160 9.160 8.688 0.472 18978 8942 1 12 . 1 1 38 38 GLY N N 38 112.060 112.060 112.726 -0.666 18978 8943 1 12 . 1 1 38 38 GLY C C 38 172.920 172.920 173.556 -0.636 18978 8944 1 12 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.277 0.303 18978 8945 1 12 . 1 1 38 38 GLY H H 38 8.660 8.660 8.423 0.237 18978 8946 1 12 . 1 1 39 39 ILE N N 39 123.220 123.220 124.171 -0.951 18978 8947 1 12 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.393 -0.023 18978 8948 1 12 . 1 1 39 39 ILE C C 39 174.500 174.500 175.279 -0.779 18978 8949 1 12 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.456 -0.906 18978 8950 1 12 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.555 -0.255 18978 8951 1 12 . 1 1 39 39 ILE H H 39 8.810 8.810 8.105 0.705 18978 8952 1 12 . 1 1 40 40 SER N N 40 121.430 121.430 122.187 -0.757 18978 8953 1 12 . 1 1 40 40 SER HA H 40 4.830 4.830 4.688 0.142 18978 8954 1 12 . 1 1 40 40 SER C C 40 174.130 174.130 174.085 0.045 18978 8955 1 12 . 1 1 40 40 SER CA C 40 57.770 57.770 57.631 0.139 18978 8956 1 12 . 1 1 40 40 SER CB C 40 63.040 63.040 63.558 -0.518 18978 8957 1 12 . 1 1 40 40 SER H H 40 8.540 8.540 8.702 -0.162 18978 8958 1 12 . 1 1 41 41 ILE N N 41 127.060 127.060 127.843 -0.783 18978 8959 1 12 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.417 -0.127 18978 8960 1 12 . 1 1 41 41 ILE C C 41 175.280 175.280 175.814 -0.534 18978 8961 1 12 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.926 -0.676 18978 8962 1 12 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.340 -0.500 18978 8963 1 12 . 1 1 41 41 ILE H H 41 8.930 8.930 8.491 0.439 18978 8964 1 12 . 1 1 42 42 LEU N N 42 126.770 126.770 127.626 -0.856 18978 8965 1 12 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.958 -0.068 18978 8966 1 12 . 1 1 42 42 LEU C C 42 177.130 177.130 177.180 -0.050 18978 8967 1 12 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.379 0.181 18978 8968 1 12 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.312 -0.942 18978 8969 1 12 . 1 1 42 42 LEU H H 42 9.380 9.380 9.144 0.236 18978 8970 1 12 . 1 1 43 43 GLY N N 43 103.820 103.820 105.145 -1.325 18978 8971 1 12 . 1 1 43 43 GLY C C 43 173.690 173.690 173.517 0.173 18978 8972 1 12 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.134 0.206 18978 8973 1 12 . 1 1 43 43 GLY H H 43 8.310 8.310 8.737 -0.427 18978 8974 1 12 . 1 1 44 44 LYS N N 44 121.160 121.160 120.509 0.651 18978 8975 1 12 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.576 -0.016 18978 8976 1 12 . 1 1 44 44 LYS C C 44 174.550 174.550 174.740 -0.190 18978 8977 1 12 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.366 -1.226 18978 8978 1 12 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.066 -0.445 18978 8979 1 12 . 1 1 44 44 LYS H H 44 7.730 7.730 7.642 0.088 18978 8980 1 12 . 1 1 45 45 GLU N N 45 124.090 124.090 127.962 -3.872 18978 8981 1 12 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.578 -0.298 18978 8982 1 12 . 1 1 45 45 GLU C C 45 175.730 175.730 175.331 0.399 18978 8983 1 12 . 1 1 45 45 GLU CA C 45 56.730 56.730 55.987 0.743 18978 8984 1 12 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.759 -0.689 18978 8985 1 12 . 1 1 45 45 GLU H H 45 8.490 8.490 8.681 -0.191 18978 8986 1 12 . 1 1 46 46 VAL N N 46 129.960 129.960 126.788 3.172 18978 8987 1 12 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.232 -0.202 18978 8988 1 12 . 1 1 46 46 VAL C C 46 174.610 174.610 173.811 0.799 18978 8989 1 12 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.254 1.426 18978 8990 1 12 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.559 0.321 18978 8991 1 12 . 1 1 46 46 VAL H H 46 8.920 8.920 8.373 0.547 18978 8992 1 12 . 1 1 47 47 LYS N N 47 124.790 124.790 127.929 -3.139 18978 8993 1 12 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.695 0.425 18978 8994 1 12 . 1 1 47 47 LYS C C 47 175.380 175.380 175.452 -0.072 18978 8995 1 12 . 1 1 47 47 LYS CA C 47 55.200 55.200 54.250 0.950 18978 8996 1 12 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.063 1.607 18978 8997 1 12 . 1 1 47 47 LYS H H 47 7.860 7.860 8.465 -0.605 18978 8998 1 12 . 1 1 48 48 PHE N N 48 118.270 118.270 123.924 -5.654 18978 8999 1 12 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.154 -0.194 18978 9000 1 12 . 1 1 48 48 PHE C C 48 173.950 173.950 174.825 -0.875 18978 9001 1 12 . 1 1 48 48 PHE CA C 48 55.910 55.910 56.002 -0.092 18978 9002 1 12 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.534 1.416 18978 9003 1 12 . 1 1 48 48 PHE H H 48 9.270 9.270 8.626 0.644 18978 9004 1 12 . 1 1 49 49 LYS N N 49 121.960 121.960 123.333 -1.373 18978 9005 1 12 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.854 0.056 18978 9006 1 12 . 1 1 49 49 LYS C C 49 176.230 176.230 175.640 0.590 18978 9007 1 12 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.634 -0.724 18978 9008 1 12 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.915 -0.745 18978 9009 1 12 . 1 1 49 49 LYS H H 49 9.170 9.170 8.621 0.549 18978 9010 1 12 . 1 1 50 50 VAL N N 50 127.140 127.140 127.792 -0.652 18978 9011 1 12 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.022 0.148 18978 9012 1 12 . 1 1 50 50 VAL C C 50 175.500 175.500 176.473 -0.973 18978 9013 1 12 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.142 -1.162 18978 9014 1 12 . 1 1 50 50 VAL CB C 50 29.490 29.490 29.879 -0.389 18978 9015 1 12 . 1 1 50 50 VAL H H 50 9.400 9.400 8.358 1.042 18978 9016 1 12 . 1 1 51 51 VAL N N 51 132.840 132.840 130.303 2.537 18978 9017 1 12 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.862 -0.212 18978 9018 1 12 . 1 1 51 51 VAL C C 51 176.440 176.440 176.011 0.429 18978 9019 1 12 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.899 -0.969 18978 9020 1 12 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.266 -0.136 18978 9021 1 12 . 1 1 51 51 VAL H H 51 8.390 8.390 8.554 -0.164 18978 9022 1 12 . 1 1 52 52 GLN N N 52 114.500 114.500 115.155 -0.655 18978 9023 1 12 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.567 -0.297 18978 9024 1 12 . 1 1 52 52 GLN C C 52 172.290 172.290 173.525 -1.235 18978 9025 1 12 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.389 1.251 18978 9026 1 12 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.316 0.313 18978 9027 1 12 . 1 1 52 52 GLN H H 52 7.470 7.470 7.537 -0.067 18978 9028 1 12 . 1 1 53 53 ALA N N 53 131.410 131.410 128.559 2.851 18978 9029 1 12 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.767 0.063 18978 9030 1 12 . 1 1 53 53 ALA C C 53 174.270 174.270 175.098 -0.828 18978 9031 1 12 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.720 0.080 18978 9032 1 12 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.675 -1.575 18978 9033 1 12 . 1 1 53 53 ALA H H 53 8.200 8.200 8.419 -0.219 18978 9034 1 12 . 1 1 54 54 TYR N N 54 124.140 124.140 124.128 0.012 18978 9035 1 12 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.045 -0.505 18978 9036 1 12 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.430 -1.160 18978 9037 1 12 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.051 -0.691 18978 9038 1 12 . 1 1 54 54 TYR H H 54 8.860 8.860 8.400 0.460 18978 9039 1 12 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.330 -0.210 18978 9040 1 12 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.332 1.118 18978 9041 1 12 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.034 1.136 18978 9042 1 12 . 1 1 56 56 SER N N 56 106.200 106.200 114.294 -8.094 18978 9043 1 12 . 1 1 56 56 SER HA H 56 4.720 4.720 4.866 -0.146 18978 9044 1 12 . 1 1 56 56 SER CA C 56 54.250 54.250 55.968 -1.718 18978 9045 1 12 . 1 1 56 56 SER CB C 56 64.530 64.530 64.372 0.158 18978 9046 1 12 . 1 1 56 56 SER H H 56 7.380 7.380 8.098 -0.718 18978 9047 1 12 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.436 0.444 18978 9048 1 12 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.823 0.167 18978 9049 1 12 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.634 2.586 18978 9050 1 12 . 1 1 58 58 LEU N N 58 120.480 120.480 123.442 -2.962 18978 9051 1 12 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.676 -0.246 18978 9052 1 12 . 1 1 58 58 LEU C C 58 174.570 174.570 175.347 -0.777 18978 9053 1 12 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.955 -0.055 18978 9054 1 12 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.284 -1.074 18978 9055 1 12 . 1 1 58 58 LEU H H 58 8.960 8.960 8.364 0.596 18978 9056 1 12 . 1 1 59 59 ARG N N 59 125.180 125.180 125.781 -0.601 18978 9057 1 12 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.547 0.383 18978 9058 1 12 . 1 1 59 59 ARG C C 59 175.460 175.460 175.115 0.345 18978 9059 1 12 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.997 -0.957 18978 9060 1 12 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.717 -1.167 18978 9061 1 12 . 1 1 59 59 ARG H H 59 8.130 8.130 8.561 -0.431 18978 9062 1 12 . 1 1 60 60 VAL N N 60 128.170 128.170 128.037 0.133 18978 9063 1 12 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.071 -0.661 18978 9064 1 12 . 1 1 60 60 VAL C C 60 175.460 175.460 174.973 0.487 18978 9065 1 12 . 1 1 60 60 VAL CA C 60 65.210 65.210 62.425 2.785 18978 9066 1 12 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.615 -1.775 18978 9067 1 12 . 1 1 60 60 VAL H H 60 8.450 8.450 8.156 0.294 18978 9068 1 12 . 1 1 61 61 GLU N N 61 127.670 127.670 126.913 0.757 18978 9069 1 12 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.643 0.227 18978 9070 1 12 . 1 1 61 61 GLU C C 61 176.960 176.960 176.693 0.267 18978 9071 1 12 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.733 -0.403 18978 9072 1 12 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.215 0.065 18978 9073 1 12 . 1 1 61 61 GLU H H 61 8.620 8.620 8.622 -0.002 18978 9074 1 12 . 1 1 62 62 ASP N N 62 121.140 121.140 121.206 -0.066 18978 9075 1 12 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.275 -0.125 18978 9076 1 12 . 1 1 62 62 ASP C C 62 177.460 177.460 176.730 0.730 18978 9077 1 12 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.016 0.604 18978 9078 1 12 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.560 -0.201 18978 9079 1 12 . 1 1 62 62 ASP H H 62 8.700 8.700 8.820 -0.120 18978 9080 1 12 . 1 1 63 63 ARG N N 63 112.890 112.890 117.060 -4.170 18978 9081 1 12 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.432 -0.152 18978 9082 1 12 . 1 1 63 63 ARG C C 63 176.510 176.510 176.121 0.389 18978 9083 1 12 . 1 1 63 63 ARG CA C 63 55.450 55.450 55.813 -0.363 18978 9084 1 12 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.762 0.228 18978 9085 1 12 . 1 1 63 63 ARG H H 63 7.760 7.760 8.110 -0.350 18978 9086 1 12 . 1 1 64 64 THR N N 64 120.650 120.650 118.343 2.307 18978 9087 1 12 . 1 1 64 64 THR HA H 64 4.020 4.020 4.453 -0.433 18978 9088 1 12 . 1 1 64 64 THR C C 64 173.810 173.810 174.155 -0.345 18978 9089 1 12 . 1 1 64 64 THR CA C 64 64.060 64.060 63.430 0.630 18978 9090 1 12 . 1 1 64 64 THR CB C 64 69.350 69.350 69.796 -0.446 18978 9091 1 12 . 1 1 64 64 THR H H 64 7.700 7.700 7.599 0.101 18978 9092 1 12 . 1 1 65 65 LYS N N 65 130.950 130.950 127.466 3.484 18978 9093 1 12 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.487 -0.217 18978 9094 1 12 . 1 1 65 65 LYS C C 65 174.560 174.560 175.066 -0.506 18978 9095 1 12 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.946 0.334 18978 9096 1 12 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.499 -0.379 18978 9097 1 12 . 1 1 65 65 LYS H H 65 8.520 8.520 8.222 0.298 18978 9098 1 12 . 1 1 66 66 ILE N N 66 128.020 128.020 125.638 2.382 18978 9099 1 12 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.867 -0.017 18978 9100 1 12 . 1 1 66 66 ILE C C 66 174.650 174.650 176.082 -1.432 18978 9101 1 12 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.126 -0.306 18978 9102 1 12 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.106 -1.826 18978 9103 1 12 . 1 1 66 66 ILE H H 66 8.430 8.430 8.616 -0.186 18978 9104 1 12 . 1 1 67 67 THR N N 67 123.870 123.870 123.062 0.808 18978 9105 1 12 . 1 1 67 67 THR HA H 67 4.470 4.470 4.737 -0.267 18978 9106 1 12 . 1 1 67 67 THR C C 67 172.760 172.760 172.654 0.106 18978 9107 1 12 . 1 1 67 67 THR CA C 67 60.740 60.740 61.209 -0.469 18978 9108 1 12 . 1 1 67 67 THR CB C 67 71.320 71.320 71.549 -0.229 18978 9109 1 12 . 1 1 67 67 THR H H 67 8.870 8.870 8.361 0.509 18978 9110 1 12 . 1 1 68 68 LEU N N 68 127.070 127.070 127.487 -0.417 18978 9111 1 12 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.973 0.167 18978 9112 1 12 . 1 1 68 68 LEU C C 68 176.610 176.610 176.115 0.495 18978 9113 1 12 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.220 -0.940 18978 9114 1 12 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.574 -0.974 18978 9115 1 12 . 1 1 68 68 LEU H H 68 8.820 8.820 8.633 0.187 18978 9116 1 12 . 1 1 69 69 VAL N N 69 124.120 124.120 127.545 -3.425 18978 9117 1 12 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.238 0.022 18978 9118 1 12 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.728 -1.378 18978 9119 1 12 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.517 0.273 18978 9120 1 12 . 1 1 69 69 VAL H H 69 8.800 8.800 8.359 0.441 18978 9121 1 12 . 1 1 70 70 THR N N 70 114.500 114.500 118.376 -3.876 18978 9122 1 12 . 1 1 70 70 THR HA H 70 4.410 4.410 4.389 0.021 18978 9123 1 12 . 1 1 70 70 THR CA C 70 60.800 60.800 60.950 -0.150 18978 9124 1 12 . 1 1 70 70 THR CB C 70 69.650 69.650 69.202 0.448 18978 9125 1 12 . 1 1 70 70 THR H H 70 8.160 8.160 8.233 -0.073 18978 9126 1 12 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.547 -0.617 18978 9127 1 12 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.714 1.806 18978 9128 1 12 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.247 1.893 18978 9129 1 12 . 1 1 73 73 VAL N N 73 117.500 117.500 117.375 0.125 18978 9130 1 12 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.018 0.502 18978 9131 1 12 . 1 1 73 73 VAL C C 73 174.100 174.100 175.676 -1.576 18978 9132 1 12 . 1 1 73 73 VAL CA C 73 60.010 60.010 61.889 -1.879 18978 9133 1 12 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.365 0.965 18978 9134 1 12 . 1 1 73 73 VAL H H 73 7.410 7.410 8.053 -0.643 18978 9135 1 12 . 1 1 74 74 ASP N N 74 124.500 124.500 121.111 3.389 18978 9136 1 12 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.764 0.146 18978 9137 1 12 . 1 1 74 74 ASP C C 74 174.000 174.000 175.562 -1.562 18978 9138 1 12 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.750 -0.300 18978 9139 1 12 . 1 1 74 74 ASP CB C 74 43.350 43.350 40.953 2.397 18978 9140 1 12 . 1 1 74 74 ASP H H 74 8.290 8.290 8.318 -0.028 18978 9141 1 12 . 1 1 75 75 VAL N N 75 122.400 122.400 124.745 -2.345 18978 9142 1 12 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.329 0.361 18978 9143 1 12 . 1 1 75 75 VAL C C 75 174.600 174.600 175.193 -0.593 18978 9144 1 12 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.330 -0.130 18978 9145 1 12 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.888 0.443 18978 9146 1 12 . 1 1 75 75 VAL H H 75 7.780 7.780 8.440 -0.660 18978 9147 1 12 . 1 1 76 76 LEU N N 76 130.300 130.300 128.030 2.270 18978 9148 1 12 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.631 0.089 18978 9149 1 12 . 1 1 76 76 LEU C C 76 174.400 174.400 176.231 -1.831 18978 9150 1 12 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.376 -0.745 18978 9151 1 12 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.826 1.134 18978 9152 1 12 . 1 1 76 76 LEU H H 76 9.200 9.200 8.431 0.769 18978 9153 1 12 . 1 1 77 77 GLU N N 77 118.600 118.600 122.372 -3.772 18978 9154 1 12 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.529 0.791 18978 9155 1 12 . 1 1 77 77 GLU C C 77 174.900 174.900 175.113 -0.213 18978 9156 1 12 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.798 -1.708 18978 9157 1 12 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.962 2.237 18978 9158 1 12 . 1 1 77 77 GLU H H 77 8.010 8.010 8.534 -0.524 18978 9159 1 12 . 1 1 78 78 ALA N N 78 124.500 124.500 125.247 -0.747 18978 9160 1 12 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.534 0.106 18978 9161 1 12 . 1 1 78 78 ALA C C 78 175.500 175.500 176.829 -1.329 18978 9162 1 12 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.488 -0.808 18978 9163 1 12 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.201 0.609 18978 9164 1 12 . 1 1 78 78 ALA H H 78 8.800 8.800 8.257 0.543 18978 9165 1 12 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.357 0.123 18978 9166 1 12 . 1 1 79 79 LYS C C 79 174.700 174.700 175.585 -0.885 18978 9167 1 12 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.336 -0.236 18978 9168 1 12 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.706 -1.766 18978 9169 1 12 . 1 1 80 80 ILE N N 80 127.300 127.300 124.723 2.577 18978 9170 1 12 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.263 -0.183 18978 9171 1 12 . 1 1 80 80 ILE C C 80 172.700 172.700 174.830 -2.130 18978 9172 1 12 . 1 1 80 80 ILE CA C 80 59.940 59.940 59.915 0.025 18978 9173 1 12 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.975 1.955 18978 9174 1 12 . 1 1 80 80 ILE H H 80 7.380 7.380 8.520 -1.140 18978 9175 1 12 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.596 -0.316 18978 9176 1 12 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.883 0.236 18978 9177 1 12 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.097 -0.347 18978 9178 1 12 . 1 1 82 82 GLY N N 82 113.000 113.000 112.972 0.028 18978 9179 1 12 . 1 1 82 82 GLY C C 82 174.600 174.600 174.199 0.401 18978 9180 1 12 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.578 2.292 18978 9181 1 12 . 1 1 82 82 GLY H H 82 8.210 8.210 8.735 -0.525 18978 9182 1 12 . 1 1 83 83 ILE N N 83 121.200 121.200 119.085 2.115 18978 9183 1 12 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.911 -0.571 18978 9184 1 12 . 1 1 83 83 ILE C C 83 175.000 175.000 176.403 -1.403 18978 9185 1 12 . 1 1 83 83 ILE CA C 83 64.710 64.710 61.920 2.790 18978 9186 1 12 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.014 -0.524 18978 9187 1 12 . 1 1 83 83 ILE H H 83 8.350 8.350 8.033 0.318 18978 9188 1 12 . 1 1 84 84 LYS N N 84 129.400 129.400 128.609 0.791 18978 9189 1 12 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.308 0.182 18978 9190 1 12 . 1 1 84 84 LYS C C 84 175.000 175.000 176.298 -1.298 18978 9191 1 12 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.365 -1.295 18978 9192 1 12 . 1 1 84 84 LYS CB C 84 34.490 34.490 33.951 0.539 18978 9193 1 12 . 1 1 84 84 LYS H H 84 9.160 9.160 8.736 0.424 18978 9194 1 12 . 1 1 85 85 ASP N N 85 117.500 117.500 117.057 0.443 18978 9195 1 12 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.912 -0.132 18978 9196 1 12 . 1 1 85 85 ASP C C 85 173.200 173.200 173.724 -0.524 18978 9197 1 12 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.832 -0.742 18978 9198 1 12 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.252 -0.762 18978 9199 1 12 . 1 1 85 85 ASP H H 85 7.990 7.990 7.770 0.220 18978 9200 1 12 . 1 1 86 86 VAL N N 86 119.400 119.400 121.628 -2.228 18978 9201 1 12 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.481 0.689 18978 9202 1 12 . 1 1 86 86 VAL C C 86 172.500 172.500 175.321 -2.821 18978 9203 1 12 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.333 -1.583 18978 9204 1 12 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.018 1.142 18978 9205 1 12 . 1 1 86 86 VAL H H 86 8.210 8.210 8.478 -0.268 18978 9206 1 12 . 1 1 87 87 ILE N N 87 127.100 127.100 128.207 -1.107 18978 9207 1 12 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.421 -0.211 18978 9208 1 12 . 1 1 87 87 ILE C C 87 173.600 173.600 174.408 -0.808 18978 9209 1 12 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.407 0.063 18978 9210 1 12 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.363 1.127 18978 9211 1 12 . 1 1 87 87 ILE H H 87 9.190 9.190 8.687 0.503 18978 9212 1 12 . 1 1 88 88 LEU N N 88 125.700 125.700 129.177 -3.477 18978 9213 1 12 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.702 0.338 18978 9214 1 12 . 1 1 88 88 LEU C C 88 174.500 174.500 175.123 -0.623 18978 9215 1 12 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.245 -1.304 18978 9216 1 12 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.448 -0.938 18978 9217 1 12 . 1 1 88 88 LEU H H 88 7.840 7.840 8.444 -0.605 18978 9218 1 12 . 1 1 89 89 ASP N N 89 127.800 127.800 125.709 2.091 18978 9219 1 12 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.911 -0.141 18978 9220 1 12 . 1 1 89 89 ASP C C 89 174.100 174.100 176.226 -2.126 18978 9221 1 12 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.576 0.044 18978 9222 1 12 . 1 1 89 89 ASP CB C 89 44.070 44.070 43.386 0.684 18978 9223 1 12 . 1 1 89 89 ASP H H 89 8.280 8.280 8.587 -0.307 18978 9224 1 12 . 1 1 90 90 GLU N N 90 122.400 122.400 124.940 -2.540 18978 9225 1 12 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.063 -0.213 18978 9226 1 12 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.109 -0.279 18978 9227 1 12 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.999 -0.589 18978 9228 1 12 . 1 1 90 90 GLU H H 90 8.980 8.980 8.930 0.050 18978 9229 1 12 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.913 -0.633 18978 9230 1 12 . 1 1 91 91 ASN C C 91 173.600 173.600 173.257 0.343 18978 9231 1 12 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.726 1.434 18978 9232 1 12 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.143 -0.243 18978 9233 1 12 . 1 1 92 92 LEU N N 92 117.400 117.400 119.735 -2.335 18978 9234 1 12 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.661 0.369 18978 9235 1 12 . 1 1 92 92 LEU C C 92 174.700 174.700 173.802 0.898 18978 9236 1 12 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.288 -1.588 18978 9237 1 12 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.154 1.096 18978 9238 1 12 . 1 1 92 92 LEU H H 92 7.110 7.110 7.820 -0.710 18978 9239 1 12 . 1 1 93 93 ILE N N 93 121.300 121.300 123.634 -2.334 18978 9240 1 12 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.544 -0.094 18978 9241 1 12 . 1 1 93 93 ILE C C 93 174.000 174.000 174.190 -0.190 18978 9242 1 12 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.599 0.371 18978 9243 1 12 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.745 -0.115 18978 9244 1 12 . 1 1 93 93 ILE H H 93 8.450 8.450 8.498 -0.049 18978 9245 1 12 . 1 1 94 94 VAL N N 94 128.000 128.000 127.871 0.129 18978 9246 1 12 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.890 -0.050 18978 9247 1 12 . 1 1 94 94 VAL C C 94 174.000 174.000 174.520 -0.520 18978 9248 1 12 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.010 0.090 18978 9249 1 12 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.055 -1.935 18978 9250 1 12 . 1 1 94 94 VAL H H 94 8.970 8.970 8.413 0.557 18978 9251 1 12 . 1 1 95 95 VAL N N 95 127.700 127.700 126.886 0.814 18978 9252 1 12 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.579 0.091 18978 9253 1 12 . 1 1 95 95 VAL C C 95 173.300 173.300 174.617 -1.317 18978 9254 1 12 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.073 -0.233 18978 9255 1 12 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.775 -0.535 18978 9256 1 12 . 1 1 95 95 VAL H H 95 9.420 9.420 8.593 0.827 18978 9257 1 12 . 1 1 96 96 ILE N N 96 126.000 126.000 127.253 -1.253 18978 9258 1 12 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.909 0.311 18978 9259 1 12 . 1 1 96 96 ILE C C 96 177.100 177.100 175.646 1.454 18978 9260 1 12 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.983 -0.412 18978 9261 1 12 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.022 0.728 18978 9262 1 12 . 1 1 96 96 ILE H H 96 8.460 8.460 8.629 -0.169 18978 9263 1 12 . 1 1 97 97 THR N N 97 118.100 118.100 117.654 0.446 18978 9264 1 12 . 1 1 97 97 THR HA H 97 5.250 5.250 4.841 0.409 18978 9265 1 12 . 1 1 97 97 THR C C 97 176.300 176.300 175.584 0.716 18978 9266 1 12 . 1 1 97 97 THR CA C 97 59.650 59.650 59.921 -0.271 18978 9267 1 12 . 1 1 97 97 THR CB C 97 71.890 71.890 71.600 0.290 18978 9268 1 12 . 1 1 97 97 THR H H 97 9.050 9.050 8.515 0.535 18978 9269 1 12 . 1 1 98 98 GLU N N 98 120.100 120.100 122.802 -2.702 18978 9270 1 12 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.962 0.158 18978 9271 1 12 . 1 1 98 98 GLU C C 98 176.200 176.200 177.432 -1.232 18978 9272 1 12 . 1 1 98 98 GLU CA C 98 57.890 57.890 58.956 -1.066 18978 9273 1 12 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.562 -0.032 18978 9274 1 12 . 1 1 98 98 GLU H H 98 9.220 9.220 8.353 0.867 18978 9275 1 12 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.246 -0.096 18978 9276 1 12 . 1 1 99 99 GLU C C 99 174.200 174.200 175.733 -1.533 18978 9277 1 12 . 1 1 99 99 GLU CA C 99 58.210 58.210 55.991 2.219 18978 9278 1 12 . 1 1 99 99 GLU CB C 99 29.870 29.870 29.073 0.797 18978 9279 1 12 . 1 1 100 100 ASN N N 100 113.200 113.200 115.186 -1.986 18978 9280 1 12 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.370 -0.260 18978 9281 1 12 . 1 1 100 100 ASN C C 100 173.700 173.700 173.421 0.279 18978 9282 1 12 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.581 -0.181 18978 9283 1 12 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.482 -0.622 18978 9284 1 12 . 1 1 100 100 ASN H H 100 8.020 8.020 8.051 -0.031 18978 9285 1 12 . 1 1 101 101 GLU N N 101 115.500 115.500 117.944 -2.444 18978 9286 1 12 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.788 0.362 18978 9287 1 12 . 1 1 101 101 GLU C C 101 174.900 174.900 174.263 0.637 18978 9288 1 12 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.007 0.043 18978 9289 1 12 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.378 -1.978 18978 9290 1 12 . 1 1 101 101 GLU H H 101 7.230 7.230 7.387 -0.157 18978 9291 1 12 . 1 1 102 102 VAL N N 102 122.700 122.700 124.276 -1.576 18978 9292 1 12 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.699 0.221 18978 9293 1 12 . 1 1 102 102 VAL C C 102 173.700 173.700 174.412 -0.712 18978 9294 1 12 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.009 -0.089 18978 9295 1 12 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.050 0.760 18978 9296 1 12 . 1 1 102 102 VAL H H 102 8.710 8.710 8.657 0.053 18978 9297 1 12 . 1 1 103 103 LEU N N 103 127.300 127.300 128.184 -0.884 18978 9298 1 12 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.813 -0.513 18978 9299 1 12 . 1 1 103 103 LEU C C 103 174.500 174.500 175.443 -0.943 18978 9300 1 12 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.654 0.166 18978 9301 1 12 . 1 1 103 103 LEU H H 103 9.140 9.140 8.504 0.636 18978 9302 1 12 . 1 1 104 104 ILE N N 104 122.200 122.200 120.919 1.281 18978 9303 1 12 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.787 -0.047 18978 9304 1 12 . 1 1 104 104 ILE C C 104 173.600 173.600 174.506 -0.906 18978 9305 1 12 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.328 -0.108 18978 9306 1 12 . 1 1 104 104 ILE CB C 104 39.150 39.150 40.022 -0.872 18978 9307 1 12 . 1 1 104 104 ILE H H 104 8.470 8.470 8.309 0.161 18978 9308 1 12 . 1 1 105 105 PHE N N 105 126.600 126.600 125.082 1.518 18978 9309 1 12 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.687 -0.117 18978 9310 1 12 . 1 1 105 105 PHE C C 105 175.800 175.800 175.132 0.668 18978 9311 1 12 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.834 -0.384 18978 9312 1 12 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.718 0.952 18978 9313 1 12 . 1 1 105 105 PHE H H 105 9.330 9.330 9.077 0.253 18978 9314 1 12 . 1 1 106 106 ASN N N 106 116.000 116.000 118.555 -2.555 18978 9315 1 12 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.025 0.445 18978 9316 1 12 . 1 1 106 106 ASN C C 106 176.700 176.700 176.873 -0.173 18978 9317 1 12 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.038 -0.538 18978 9318 1 12 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.639 -1.039 18978 9319 1 12 . 1 1 106 106 ASN H H 106 7.710 7.710 8.259 -0.549 18978 9320 1 12 . 1 1 107 107 GLN N N 107 114.500 114.500 119.659 -5.159 18978 9321 1 12 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.024 -0.134 18978 9322 1 12 . 1 1 107 107 GLN C C 107 173.700 173.700 175.756 -2.056 18978 9323 1 12 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.899 -1.389 18978 9324 1 12 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.387 -1.297 18978 9325 1 12 . 1 1 107 107 GLN H H 107 8.040 8.040 8.722 -0.682 18978 9326 1 12 . 1 1 108 108 ASN N N 108 115.800 115.800 115.939 -0.139 18978 9327 1 12 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.632 0.038 18978 9328 1 12 . 1 1 108 108 ASN C C 108 173.600 173.600 174.908 -1.308 18978 9329 1 12 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.851 -0.761 18978 9330 1 12 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.253 0.607 18978 9331 1 12 . 1 1 108 108 ASN H H 108 7.440 7.440 8.207 -0.767 18978 9332 1 12 . 1 1 109 109 LEU N N 109 115.200 115.200 118.036 -2.836 18978 9333 1 12 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.802 -0.272 18978 9334 1 12 . 1 1 109 109 LEU C C 109 174.700 174.700 175.269 -0.569 18978 9335 1 12 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.078 -0.308 18978 9336 1 12 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.154 -0.454 18978 9337 1 12 . 1 1 109 109 LEU H H 109 8.220 8.220 7.718 0.502 18978 9338 1 12 . 1 1 110 110 GLU N N 110 117.600 117.600 118.938 -1.338 18978 9339 1 12 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.669 -0.249 18978 9340 1 12 . 1 1 110 110 GLU C C 110 175.800 175.800 176.024 -0.224 18978 9341 1 12 . 1 1 110 110 GLU CA C 110 55.180 55.180 55.003 0.177 18978 9342 1 12 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.980 -3.160 18978 9343 1 12 . 1 1 110 110 GLU H H 110 7.550 7.550 8.144 -0.594 18978 9344 1 12 . 1 1 111 111 GLU N N 111 125.900 125.900 122.907 2.993 18978 9345 1 12 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.015 -0.185 18978 9346 1 12 . 1 1 111 111 GLU C C 111 175.400 175.400 176.043 -0.643 18978 9347 1 12 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.648 -1.008 18978 9348 1 12 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.713 0.907 18978 9349 1 12 . 1 1 111 111 GLU H H 111 8.350 8.350 8.933 -0.583 18978 9350 1 12 . 1 1 112 112 LEU N N 112 128.000 128.000 126.486 1.514 18978 9351 1 12 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.466 -0.196 18978 9352 1 12 . 1 1 112 112 LEU C C 112 176.100 176.100 176.571 -0.471 18978 9353 1 12 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.491 -0.461 18978 9354 1 12 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.939 -1.169 18978 9355 1 12 . 1 1 112 112 LEU H H 112 9.110 9.110 8.204 0.906 18978 9356 1 12 . 1 1 113 113 TYR N N 113 116.300 116.300 119.446 -3.146 18978 9357 1 12 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.657 -0.327 18978 9358 1 12 . 1 1 113 113 TYR C C 113 171.700 171.700 172.981 -1.281 18978 9359 1 12 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.697 0.264 18978 9360 1 12 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.109 -0.389 18978 9361 1 12 . 1 1 113 113 TYR H H 113 7.250 7.250 7.456 -0.206 18978 9362 1 12 . 1 1 114 114 ARG N N 114 126.200 126.200 124.783 1.417 18978 9363 1 12 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.918 0.102 18978 9364 1 12 . 1 1 114 114 ARG C C 114 173.500 173.500 174.632 -1.132 18978 9365 1 12 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.929 -0.309 18978 9366 1 12 . 1 1 114 114 ARG CB C 114 33.450 33.450 33.200 0.250 18978 9367 1 12 . 1 1 114 114 ARG H H 114 6.560 6.560 7.907 -1.347 18978 9368 1 12 . 1 1 115 115 GLY N N 115 111.300 111.300 110.961 0.339 18978 9369 1 12 . 1 1 115 115 GLY C C 115 178.100 178.100 171.187 6.913 18978 9370 1 12 . 1 1 115 115 GLY CA C 115 44.410 44.410 45.039 -0.629 18978 9371 1 12 . 1 1 115 115 GLY H H 115 8.320 8.320 8.369 -0.049 18978 9372 1 12 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.492 0.278 18978 9373 1 12 . 1 1 116 116 LYS C C 116 174.400 174.400 174.834 -0.434 18978 9374 1 12 . 1 1 116 116 LYS CA C 116 55.190 55.190 54.930 0.260 18978 9375 1 12 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.939 -0.599 18978 9376 1 12 . 1 1 117 117 PHE N N 117 125.800 125.800 123.547 2.253 18978 9377 1 12 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.833 -0.283 18978 9378 1 12 . 1 1 117 117 PHE C C 117 174.000 174.000 176.342 -2.342 18978 9379 1 12 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.909 -0.059 18978 9380 1 12 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.718 0.442 18978 9381 1 12 . 1 1 117 117 PHE H H 117 8.090 8.090 8.454 -0.364 18978 9382 1 12 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.805 -0.145 18978 9383 1 12 . 1 1 119 119 ASN C C 119 173.500 173.500 174.253 -0.753 18978 9384 1 12 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.858 -0.379 18978 9385 1 12 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.372 -0.182 18978 9386 1 12 . 1 1 120 120 LEU N N 120 120.200 120.200 121.507 -1.307 18978 9387 1 12 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.040 -0.210 18978 9388 1 12 . 1 1 120 120 LEU C C 120 175.000 175.000 175.807 -0.807 18978 9389 1 12 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.434 -0.164 18978 9390 1 12 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.156 0.614 18978 9391 1 12 . 1 1 120 120 LEU H H 120 6.900 6.900 7.589 -0.689 18978 9392 1 12 . 1 1 121 121 ASN N N 121 124.200 124.200 123.863 0.337 18978 9393 1 12 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.852 0.038 18978 9394 1 12 . 1 1 121 121 ASN C C 121 174.300 174.300 175.432 -1.132 18978 9395 1 12 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.317 -0.437 18978 9396 1 12 . 1 1 121 121 ASN CB C 121 40.440 40.440 41.123 -0.683 18978 9397 1 12 . 1 1 121 121 ASN H H 121 8.900 8.900 8.663 0.237 18978 9398 1 12 . 1 1 122 122 LYS N N 122 115.100 115.100 117.159 -2.059 18978 9399 1 12 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.580 -0.110 18978 9400 1 12 . 1 1 122 122 LYS C C 122 172.500 172.500 173.787 -1.287 18978 9401 1 12 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.699 0.001 18978 9402 1 12 . 1 1 122 122 LYS CB C 122 35.660 35.660 35.898 -0.238 18978 9403 1 12 . 1 1 122 122 LYS H H 122 7.410 7.410 7.795 -0.385 18978 9404 1 12 . 1 1 123 123 VAL N N 123 121.500 121.500 120.933 0.567 18978 9405 1 12 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.540 0.280 18978 9406 1 12 . 1 1 123 123 VAL C C 123 173.400 173.400 175.150 -1.750 18978 9407 1 12 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.277 -0.587 18978 9408 1 12 . 1 1 123 123 VAL CB C 123 34.150 34.150 34.039 0.111 18978 9409 1 12 . 1 1 123 123 VAL H H 123 7.730 7.730 8.430 -0.700 18978 9410 1 12 . 1 1 124 124 LEU N N 124 126.600 126.600 129.165 -2.565 18978 9411 1 12 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.872 -0.152 18978 9412 1 12 . 1 1 124 124 LEU C C 124 174.200 174.200 175.055 -0.855 18978 9413 1 12 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.033 -0.653 18978 9414 1 12 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.301 0.809 18978 9415 1 12 . 1 1 124 124 LEU H H 124 9.060 9.060 8.441 0.619 18978 9416 1 12 . 1 1 125 125 VAL N N 125 120.300 120.300 123.307 -3.007 18978 9417 1 12 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.530 0.140 18978 9418 1 12 . 1 1 125 125 VAL C C 125 174.700 174.700 174.197 0.503 18978 9419 1 12 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.090 0.200 18978 9420 1 12 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.288 -0.038 18978 9421 1 12 . 1 1 125 125 VAL H H 125 8.030 8.030 8.474 -0.444 18978 9422 1 12 . 1 1 126 126 ARG N N 126 127.100 127.100 125.985 1.115 18978 9423 1 12 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.824 -0.354 18978 9424 1 12 . 1 1 126 126 ARG C C 126 174.400 174.400 175.045 -0.645 18978 9425 1 12 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.782 1.048 18978 9426 1 12 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.957 -1.657 18978 9427 1 12 . 1 1 126 126 ARG H H 126 8.630 8.630 8.556 0.074 18978 9428 1 12 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.350 -0.060 18978 9429 1 12 . 1 1 127 127 ASN C C 127 172.600 172.600 174.709 -2.109 18978 9430 1 12 . 1 1 127 127 ASN CA C 127 56.060 56.060 54.643 1.417 18978 9431 1 12 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.520 -0.570 18978 9432 1 12 . 1 1 128 128 ASP N N 128 117.600 117.600 118.964 -1.364 18978 9433 1 12 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.457 -0.007 18978 9434 1 12 . 1 1 128 128 ASP C C 128 174.000 174.000 174.926 -0.926 18978 9435 1 12 . 1 1 128 128 ASP CA C 128 53.520 53.520 55.081 -1.561 18978 9436 1 12 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.415 -0.605 18978 9437 1 12 . 1 1 128 128 ASP H H 128 8.560 8.560 8.573 -0.013 18978 9438 1 12 . 1 1 129 129 LEU N N 129 121.500 121.500 121.197 0.303 18978 9439 1 12 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.816 0.254 18978 9440 1 12 . 1 1 129 129 LEU C C 129 174.800 174.800 174.153 0.647 18978 9441 1 12 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.467 -0.667 18978 9442 1 12 . 1 1 129 129 LEU CB C 129 45.120 45.120 45.572 -0.452 18978 9443 1 12 . 1 1 129 129 LEU H H 129 7.730 7.730 7.545 0.185 18978 9444 1 12 . 1 1 130 130 VAL N N 130 120.600 120.600 125.518 -4.918 18978 9445 1 12 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.830 -0.120 18978 9446 1 12 . 1 1 130 130 VAL C C 130 173.500 173.500 173.094 0.406 18978 9447 1 12 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.572 0.948 18978 9448 1 12 . 1 1 130 130 VAL CB C 130 33.750 33.750 35.969 -2.219 18978 9449 1 12 . 1 1 130 130 VAL H H 130 8.410 8.410 8.306 0.104 18978 9450 1 12 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.743 -0.143 18978 9451 1 12 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.636 -0.046 18978 9452 1 12 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.486 -1.625 18978 9453 1 12 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.355 -0.055 18978 9454 1 12 . 1 1 132 132 ILE C C 132 174.900 174.900 174.412 0.488 18978 9455 1 12 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.392 0.088 18978 9456 1 12 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.300 -0.250 18978 9457 1 12 . 1 1 133 133 ILE N N 133 126.200 126.200 126.970 -0.770 18978 9458 1 12 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.426 0.244 18978 9459 1 12 . 1 1 133 133 ILE C C 133 174.200 174.200 174.140 0.060 18978 9460 1 12 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.642 1.288 18978 9461 1 12 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.890 1.230 18978 9462 1 12 . 1 1 133 133 ILE H H 133 8.490 8.490 8.461 0.029 18978 9463 1 12 . 1 1 134 134 ASP N N 134 130.100 130.100 125.721 4.379 18978 9464 1 12 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.184 -0.234 18978 9465 1 12 . 1 1 134 134 ASP C C 134 174.600 174.600 176.487 -1.887 18978 9466 1 12 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.268 0.122 18978 9467 1 12 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.079 -0.709 18978 9468 1 12 . 1 1 134 134 ASP H H 134 8.360 8.360 8.185 0.175 18978 9469 1 12 . 1 1 135 135 GLU N N 135 118.000 118.000 121.457 -3.457 18978 9470 1 12 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.892 0.318 18978 9471 1 12 . 1 1 135 135 GLU C C 135 176.200 176.200 177.356 -1.156 18978 9472 1 12 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.232 -0.482 18978 9473 1 12 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.780 0.510 18978 9474 1 12 . 1 1 135 135 GLU H H 135 7.840 7.840 8.393 -0.553 18978 9475 1 12 . 1 1 136 136 GLN N N 136 115.200 115.200 116.715 -1.515 18978 9476 1 12 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.234 0.636 18978 9477 1 12 . 1 1 136 136 GLN C C 136 174.900 174.900 175.573 -0.673 18978 9478 1 12 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.989 -1.489 18978 9479 1 12 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.969 0.961 18978 9480 1 12 . 1 1 136 136 GLN H H 136 8.860 8.860 8.083 0.777 18978 9481 1 12 . 1 1 137 137 LYS N N 137 118.100 118.100 114.390 3.710 18978 9482 1 12 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.472 0.438 18978 9483 1 12 . 1 1 137 137 LYS C C 137 172.400 172.400 173.559 -1.159 18978 9484 1 12 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.233 0.667 18978 9485 1 12 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.884 0.656 18978 9486 1 12 . 1 1 137 137 LYS H H 137 8.260 8.260 8.054 0.206 18978 9487 1 12 . 1 1 138 138 LEU N N 138 123.500 123.500 121.990 1.510 18978 9488 1 12 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.827 0.033 18978 9489 1 12 . 1 1 138 138 LEU C C 138 174.400 174.400 175.827 -1.427 18978 9490 1 12 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.683 -0.173 18978 9491 1 12 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.791 0.169 18978 9492 1 12 . 1 1 138 138 LEU H H 138 8.410 8.410 8.420 -0.010 18978 9493 1 12 . 1 1 139 139 THR N N 139 123.600 123.600 123.003 0.597 18978 9494 1 12 . 1 1 139 139 THR HA H 139 4.830 4.830 4.646 0.184 18978 9495 1 12 . 1 1 139 139 THR C C 139 171.400 171.400 172.529 -1.129 18978 9496 1 12 . 1 1 139 139 THR CA C 139 62.240 62.240 61.759 0.481 18978 9497 1 12 . 1 1 139 139 THR CB C 139 70.120 70.120 70.134 -0.014 18978 9498 1 12 . 1 1 139 139 THR H H 139 8.820 8.820 8.288 0.532 18978 9499 1 12 . 1 1 140 140 LEU N N 140 130.500 130.500 128.895 1.605 18978 9500 1 12 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.611 0.419 18978 9501 1 12 . 1 1 140 140 LEU C C 140 173.700 173.700 175.341 -1.641 18978 9502 1 12 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.211 -0.831 18978 9503 1 12 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.694 1.196 18978 9504 1 12 . 1 1 140 140 LEU H H 140 9.250 9.250 8.629 0.621 18978 9505 1 12 . 1 1 141 141 ILE N N 141 127.300 127.300 127.149 0.151 18978 9506 1 12 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.330 0.330 18978 9507 1 12 . 1 1 141 141 ILE C C 141 174.200 174.200 173.887 0.313 18978 9508 1 12 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.435 -0.925 18978 9509 1 12 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.551 -1.702 18978 9510 1 12 . 1 1 141 141 ILE H H 141 9.140 9.140 8.474 0.666 18978 9511 1 12 . 1 1 142 142 ARG N N 142 126.500 126.500 128.954 -2.454 18978 9512 1 12 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.649 0.231 18978 9513 1 12 . 1 1 142 142 ARG C C 142 175.100 175.100 175.689 -0.589 18978 9514 1 12 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.298 -0.758 18978 9515 1 12 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.940 -0.440 18978 9516 1 12 . 1 1 142 142 ARG H H 142 8.550 8.550 8.710 -0.160 18978 9517 1 13 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.927 -1.927 18978 9518 1 13 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.643 0.507 18978 9519 1 13 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.079 0.311 18978 9520 1 13 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.373 -2.643 18978 9521 1 13 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.197 -0.157 18978 9522 1 13 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.968 -0.088 18978 9523 1 13 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.795 0.315 18978 9524 1 13 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.023 -0.263 18978 9525 1 13 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.176 -0.306 18978 9526 1 13 . 1 1 0 0 ILE N N 0 125.570 125.570 127.288 -1.718 18978 9527 1 13 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.453 -0.363 18978 9528 1 13 . 1 1 0 0 ILE C C 0 175.850 175.850 175.589 0.261 18978 9529 1 13 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.528 0.272 18978 9530 1 13 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.509 -0.039 18978 9531 1 13 . 1 1 0 0 ILE H H 0 8.230 8.230 8.387 -0.157 18978 9532 1 13 . 1 1 1 1 MET N N 1 125.930 125.930 125.481 0.449 18978 9533 1 13 . 1 1 1 1 MET HA H 1 4.540 4.540 4.869 -0.329 18978 9534 1 13 . 1 1 1 1 MET C C 1 174.830 174.830 175.524 -0.694 18978 9535 1 13 . 1 1 1 1 MET CA C 1 54.790 54.790 55.460 -0.670 18978 9536 1 13 . 1 1 1 1 MET CB C 1 32.640 32.640 33.420 -0.780 18978 9537 1 13 . 1 1 1 1 MET H H 1 8.370 8.370 8.546 -0.176 18978 9538 1 13 . 1 1 2 2 SER N N 2 116.400 116.400 117.412 -1.012 18978 9539 1 13 . 1 1 2 2 SER HA H 2 5.030 5.030 5.190 -0.160 18978 9540 1 13 . 1 1 2 2 SER C C 2 174.330 174.330 173.532 0.798 18978 9541 1 13 . 1 1 2 2 SER CA C 2 57.320 57.320 57.148 0.172 18978 9542 1 13 . 1 1 2 2 SER CB C 2 64.790 64.790 65.739 -0.949 18978 9543 1 13 . 1 1 2 2 SER H H 2 7.990 7.990 8.467 -0.477 18978 9544 1 13 . 1 1 3 3 GLU N N 3 123.670 123.670 124.348 -0.678 18978 9545 1 13 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.407 -0.157 18978 9546 1 13 . 1 1 3 3 GLU C C 3 172.980 172.980 173.640 -0.660 18978 9547 1 13 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.700 -0.310 18978 9548 1 13 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.409 -0.499 18978 9549 1 13 . 1 1 3 3 GLU H H 3 9.430 9.430 8.637 0.793 18978 9550 1 13 . 1 1 4 4 LEU N N 4 125.350 125.350 125.636 -0.286 18978 9551 1 13 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.041 -0.171 18978 9552 1 13 . 1 1 4 4 LEU C C 4 174.000 174.000 174.457 -0.457 18978 9553 1 13 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.914 -0.894 18978 9554 1 13 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.265 -0.225 18978 9555 1 13 . 1 1 4 4 LEU H H 4 8.930 8.930 8.577 0.353 18978 9556 1 13 . 1 1 5 5 LYS N N 5 124.640 124.640 125.961 -1.321 18978 9557 1 13 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.090 0.270 18978 9558 1 13 . 1 1 5 5 LYS C C 5 175.660 175.660 175.407 0.253 18978 9559 1 13 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.037 -0.097 18978 9560 1 13 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.151 0.129 18978 9561 1 13 . 1 1 5 5 LYS H H 5 8.840 8.840 8.324 0.516 18978 9562 1 13 . 1 1 6 6 LEU N N 6 123.460 123.460 124.719 -1.259 18978 9563 1 13 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.223 0.207 18978 9564 1 13 . 1 1 6 6 LEU C C 6 174.630 174.630 175.366 -0.736 18978 9565 1 13 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.279 -0.379 18978 9566 1 13 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.295 1.615 18978 9567 1 13 . 1 1 6 6 LEU H H 6 8.820 8.820 8.277 0.543 18978 9568 1 13 . 1 1 7 7 LYS N N 7 122.230 122.230 121.259 0.971 18978 9569 1 13 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.986 0.504 18978 9570 1 13 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.986 -0.716 18978 9571 1 13 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.880 0.620 18978 9572 1 13 . 1 1 7 7 LYS H H 7 9.110 9.110 8.484 0.626 18978 9573 1 13 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.181 -1.081 18978 9574 1 13 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.574 -0.134 18978 9575 1 13 . 1 1 8 8 PRO CB C 8 30.640 30.640 33.103 -2.463 18978 9576 1 13 . 1 1 9 9 LEU N N 9 123.250 123.250 122.630 0.620 18978 9577 1 13 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.475 -0.155 18978 9578 1 13 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.462 1.218 18978 9579 1 13 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.077 -1.317 18978 9580 1 13 . 1 1 9 9 LEU H H 9 8.490 8.490 8.109 0.381 18978 9581 1 13 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.478 0.052 18978 9582 1 13 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.124 0.756 18978 9583 1 13 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.192 -0.772 18978 9584 1 13 . 1 1 11 11 LYS N N 11 119.160 119.160 122.198 -3.038 18978 9585 1 13 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.324 -0.214 18978 9586 1 13 . 1 1 11 11 LYS C C 11 175.680 175.680 175.620 0.060 18978 9587 1 13 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.167 0.042 18978 9588 1 13 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.144 -1.484 18978 9589 1 13 . 1 1 11 11 LYS H H 11 8.180 8.180 8.390 -0.210 18978 9590 1 13 . 1 1 12 12 VAL N N 12 121.820 121.820 124.023 -2.203 18978 9591 1 13 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.303 -0.023 18978 9592 1 13 . 1 1 12 12 VAL C C 12 173.690 173.690 174.901 -1.211 18978 9593 1 13 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.901 -1.071 18978 9594 1 13 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.095 -0.545 18978 9595 1 13 . 1 1 12 12 VAL H H 12 7.530 7.530 8.181 -0.651 18978 9596 1 13 . 1 1 13 13 GLU N N 13 125.610 125.610 124.414 1.196 18978 9597 1 13 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.475 -0.145 18978 9598 1 13 . 1 1 13 13 GLU C C 13 175.390 175.390 175.438 -0.048 18978 9599 1 13 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.819 -0.599 18978 9600 1 13 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.186 -0.217 18978 9601 1 13 . 1 1 13 13 GLU H H 13 8.270 8.270 8.532 -0.262 18978 9602 1 13 . 1 1 14 14 LEU N N 14 125.880 125.880 126.596 -0.716 18978 9603 1 13 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.542 -0.022 18978 9604 1 13 . 1 1 14 14 LEU CA C 14 51.660 51.660 51.994 -0.334 18978 9605 1 13 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.770 -0.021 18978 9606 1 13 . 1 1 14 14 LEU H H 14 8.480 8.480 8.303 0.177 18978 9607 1 13 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.628 0.132 18978 9608 1 13 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.926 -0.596 18978 9609 1 13 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.373 -0.313 18978 9610 1 13 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.244 0.146 18978 9611 1 13 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.036 -0.486 18978 9612 1 13 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.826 -0.056 18978 9613 1 13 . 1 1 17 17 ASP N N 17 115.820 115.820 115.470 0.350 18978 9614 1 13 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.776 -0.156 18978 9615 1 13 . 1 1 17 17 ASP C C 17 177.100 177.100 176.915 0.185 18978 9616 1 13 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.874 0.016 18978 9617 1 13 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.073 0.047 18978 9618 1 13 . 1 1 17 17 ASP H H 17 8.560 8.560 8.721 -0.161 18978 9619 1 13 . 1 1 18 18 PHE N N 18 119.610 119.610 122.363 -2.753 18978 9620 1 13 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.155 0.025 18978 9621 1 13 . 1 1 18 18 PHE C C 18 176.740 176.740 176.840 -0.100 18978 9622 1 13 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.795 -0.776 18978 9623 1 13 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.344 -0.115 18978 9624 1 13 . 1 1 18 18 PHE H H 18 7.940 7.940 7.855 0.085 18978 9625 1 13 . 1 1 19 19 VAL N N 19 116.370 116.370 118.993 -2.623 18978 9626 1 13 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.644 -0.294 18978 9627 1 13 . 1 1 19 19 VAL C C 19 176.400 176.400 177.306 -0.906 18978 9628 1 13 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.046 0.464 18978 9629 1 13 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.214 -0.194 18978 9630 1 13 . 1 1 19 19 VAL H H 19 8.010 8.010 8.322 -0.312 18978 9631 1 13 . 1 1 20 20 ASP N N 20 119.190 119.190 119.467 -0.277 18978 9632 1 13 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.335 -0.025 18978 9633 1 13 . 1 1 20 20 ASP C C 20 178.360 178.360 179.056 -0.696 18978 9634 1 13 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.812 -0.702 18978 9635 1 13 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.278 0.172 18978 9636 1 13 . 1 1 20 20 ASP H H 20 7.420 7.420 7.534 -0.114 18978 9637 1 13 . 1 1 21 21 VAL N N 21 119.830 119.830 120.178 -0.348 18978 9638 1 13 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.644 -0.134 18978 9639 1 13 . 1 1 21 21 VAL C C 21 178.100 178.100 178.186 -0.086 18978 9640 1 13 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.977 -0.407 18978 9641 1 13 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.176 0.234 18978 9642 1 13 . 1 1 21 21 VAL H H 21 7.190 7.190 7.435 -0.245 18978 9643 1 13 . 1 1 22 22 ILE N N 22 118.490 118.490 119.419 -0.929 18978 9644 1 13 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.551 -0.381 18978 9645 1 13 . 1 1 22 22 ILE C C 22 176.660 176.660 178.158 -1.498 18978 9646 1 13 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.695 1.525 18978 9647 1 13 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.142 1.358 18978 9648 1 13 . 1 1 22 22 ILE H H 22 7.660 7.660 7.661 -0.001 18978 9649 1 13 . 1 1 23 23 ARG N N 23 118.260 118.260 120.556 -2.296 18978 9650 1 13 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.937 -0.557 18978 9651 1 13 . 1 1 23 23 ARG C C 23 178.060 178.060 178.859 -0.799 18978 9652 1 13 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.001 0.569 18978 9653 1 13 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.106 -0.036 18978 9654 1 13 . 1 1 23 23 ARG H H 23 7.830 7.830 7.902 -0.072 18978 9655 1 13 . 1 1 24 24 ILE N N 24 116.750 116.750 119.099 -2.349 18978 9656 1 13 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.764 -0.044 18978 9657 1 13 . 1 1 24 24 ILE C C 24 179.090 179.090 178.064 1.026 18978 9658 1 13 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.583 -0.523 18978 9659 1 13 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.834 0.196 18978 9660 1 13 . 1 1 24 24 ILE H H 24 7.350 7.350 7.675 -0.325 18978 9661 1 13 . 1 1 25 25 LYS N N 25 118.700 118.700 118.005 0.695 18978 9662 1 13 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.006 0.084 18978 9663 1 13 . 1 1 25 25 LYS C C 25 178.560 178.560 178.220 0.340 18978 9664 1 13 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.076 -1.426 18978 9665 1 13 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.872 -0.782 18978 9666 1 13 . 1 1 25 25 LYS H H 25 7.880 7.880 7.532 0.348 18978 9667 1 13 . 1 1 26 26 LEU N N 26 116.380 116.380 117.060 -0.680 18978 9668 1 13 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.233 -0.003 18978 9669 1 13 . 1 1 26 26 LEU C C 26 175.880 175.880 177.175 -1.295 18978 9670 1 13 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.660 -1.570 18978 9671 1 13 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.843 0.467 18978 9672 1 13 . 1 1 26 26 LEU H H 26 7.860 7.860 7.824 0.036 18978 9673 1 13 . 1 1 27 27 GLN N N 27 119.210 119.210 117.365 1.845 18978 9674 1 13 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.926 -0.396 18978 9675 1 13 . 1 1 27 27 GLN C C 27 177.480 177.480 177.145 0.335 18978 9676 1 13 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.412 0.958 18978 9677 1 13 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.761 -0.461 18978 9678 1 13 . 1 1 27 27 GLN H H 27 7.190 7.190 7.671 -0.481 18978 9679 1 13 . 1 1 28 28 GLY N N 28 113.490 113.490 113.321 0.169 18978 9680 1 13 . 1 1 28 28 GLY C C 28 174.070 174.070 174.395 -0.325 18978 9681 1 13 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.907 0.373 18978 9682 1 13 . 1 1 28 28 GLY H H 28 8.940 8.940 8.602 0.338 18978 9683 1 13 . 1 1 29 29 LYS N N 29 122.060 122.060 122.612 -0.552 18978 9684 1 13 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.600 -0.200 18978 9685 1 13 . 1 1 29 29 LYS C C 29 175.560 175.560 175.496 0.064 18978 9686 1 13 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.389 0.271 18978 9687 1 13 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.992 -1.121 18978 9688 1 13 . 1 1 29 29 LYS H H 29 8.350 8.350 7.796 0.554 18978 9689 1 13 . 1 1 30 30 THR N N 30 118.150 118.150 116.988 1.162 18978 9690 1 13 . 1 1 30 30 THR HA H 30 5.330 5.330 5.008 0.322 18978 9691 1 13 . 1 1 30 30 THR C C 30 174.860 174.860 174.282 0.578 18978 9692 1 13 . 1 1 30 30 THR CA C 30 62.040 62.040 61.705 0.335 18978 9693 1 13 . 1 1 30 30 THR CB C 30 69.420 69.420 69.954 -0.534 18978 9694 1 13 . 1 1 30 30 THR H H 30 8.410 8.410 8.279 0.131 18978 9695 1 13 . 1 1 31 31 VAL N N 31 122.510 122.510 120.956 1.554 18978 9696 1 13 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.579 -0.009 18978 9697 1 13 . 1 1 31 31 VAL C C 31 172.970 172.970 173.559 -0.589 18978 9698 1 13 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.846 -0.396 18978 9699 1 13 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.973 0.907 18978 9700 1 13 . 1 1 31 31 VAL H H 31 9.140 9.140 8.990 0.150 18978 9701 1 13 . 1 1 32 32 ARG N N 32 120.640 120.640 121.918 -1.278 18978 9702 1 13 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.833 -0.083 18978 9703 1 13 . 1 1 32 32 ARG C C 32 175.650 175.650 174.959 0.691 18978 9704 1 13 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.442 -0.792 18978 9705 1 13 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.296 -0.426 18978 9706 1 13 . 1 1 32 32 ARG H H 32 8.420 8.420 8.894 -0.474 18978 9707 1 13 . 1 1 33 33 THR N N 33 118.590 118.590 118.876 -0.286 18978 9708 1 13 . 1 1 33 33 THR HA H 33 3.410 3.410 3.904 -0.494 18978 9709 1 13 . 1 1 33 33 THR C C 33 175.020 175.020 175.472 -0.452 18978 9710 1 13 . 1 1 33 33 THR CA C 33 65.660 65.660 65.166 0.494 18978 9711 1 13 . 1 1 33 33 THR CB C 33 69.400 69.400 68.589 0.811 18978 9712 1 13 . 1 1 33 33 THR H H 33 8.370 8.370 8.541 -0.171 18978 9713 1 13 . 1 1 34 34 GLY N N 34 117.350 117.350 115.711 1.639 18978 9714 1 13 . 1 1 34 34 GLY C C 34 174.350 174.350 174.420 -0.070 18978 9715 1 13 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.768 0.232 18978 9716 1 13 . 1 1 34 34 GLY H H 34 9.090 9.090 8.591 0.499 18978 9717 1 13 . 1 1 35 35 ASP N N 35 122.240 122.240 122.373 -0.133 18978 9718 1 13 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.764 -0.294 18978 9719 1 13 . 1 1 35 35 ASP C C 35 174.570 174.570 175.441 -0.871 18978 9720 1 13 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.221 0.349 18978 9721 1 13 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.846 -0.166 18978 9722 1 13 . 1 1 35 35 ASP H H 35 8.010 8.010 7.838 0.172 18978 9723 1 13 . 1 1 36 36 VAL N N 36 119.860 119.860 120.681 -0.821 18978 9724 1 13 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.790 0.160 18978 9725 1 13 . 1 1 36 36 VAL C C 36 176.330 176.330 175.905 0.425 18978 9726 1 13 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.178 0.532 18978 9727 1 13 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.660 -0.760 18978 9728 1 13 . 1 1 36 36 VAL H H 36 8.330 8.330 8.345 -0.014 18978 9729 1 13 . 1 1 37 37 ILE N N 37 124.990 124.990 127.714 -2.724 18978 9730 1 13 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.500 0.130 18978 9731 1 13 . 1 1 37 37 ILE C C 37 174.400 174.400 174.762 -0.362 18978 9732 1 13 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.502 -1.512 18978 9733 1 13 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.135 0.675 18978 9734 1 13 . 1 1 37 37 ILE H H 37 9.160 9.160 8.692 0.468 18978 9735 1 13 . 1 1 38 38 GLY N N 38 112.060 112.060 112.882 -0.822 18978 9736 1 13 . 1 1 38 38 GLY C C 38 172.920 172.920 173.580 -0.660 18978 9737 1 13 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.329 0.251 18978 9738 1 13 . 1 1 38 38 GLY H H 38 8.660 8.660 8.428 0.232 18978 9739 1 13 . 1 1 39 39 ILE N N 39 123.220 123.220 124.030 -0.810 18978 9740 1 13 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.463 -0.093 18978 9741 1 13 . 1 1 39 39 ILE C C 39 174.500 174.500 175.370 -0.870 18978 9742 1 13 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.465 -0.915 18978 9743 1 13 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.816 -0.516 18978 9744 1 13 . 1 1 39 39 ILE H H 39 8.810 8.810 8.071 0.739 18978 9745 1 13 . 1 1 40 40 SER N N 40 121.430 121.430 122.569 -1.139 18978 9746 1 13 . 1 1 40 40 SER HA H 40 4.830 4.830 4.873 -0.043 18978 9747 1 13 . 1 1 40 40 SER C C 40 174.130 174.130 173.988 0.142 18978 9748 1 13 . 1 1 40 40 SER CA C 40 57.770 57.770 57.931 -0.161 18978 9749 1 13 . 1 1 40 40 SER CB C 40 63.040 63.040 63.590 -0.550 18978 9750 1 13 . 1 1 40 40 SER H H 40 8.540 8.540 8.681 -0.141 18978 9751 1 13 . 1 1 41 41 ILE N N 41 127.060 127.060 126.606 0.454 18978 9752 1 13 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.393 -0.103 18978 9753 1 13 . 1 1 41 41 ILE C C 41 175.280 175.280 175.843 -0.563 18978 9754 1 13 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.273 0.977 18978 9755 1 13 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.370 1.470 18978 9756 1 13 . 1 1 41 41 ILE H H 41 8.930 8.930 8.602 0.328 18978 9757 1 13 . 1 1 42 42 LEU N N 42 126.770 126.770 129.542 -2.772 18978 9758 1 13 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.983 -0.093 18978 9759 1 13 . 1 1 42 42 LEU C C 42 177.130 177.130 176.768 0.362 18978 9760 1 13 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.385 0.176 18978 9761 1 13 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.444 -2.074 18978 9762 1 13 . 1 1 42 42 LEU H H 42 9.380 9.380 8.894 0.486 18978 9763 1 13 . 1 1 43 43 GLY N N 43 103.820 103.820 104.668 -0.848 18978 9764 1 13 . 1 1 43 43 GLY C C 43 173.690 173.690 173.568 0.122 18978 9765 1 13 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.970 0.370 18978 9766 1 13 . 1 1 43 43 GLY H H 43 8.310 8.310 8.524 -0.214 18978 9767 1 13 . 1 1 44 44 LYS N N 44 121.160 121.160 120.358 0.802 18978 9768 1 13 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.524 0.036 18978 9769 1 13 . 1 1 44 44 LYS C C 44 174.550 174.550 174.906 -0.356 18978 9770 1 13 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.131 -0.991 18978 9771 1 13 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.938 -0.318 18978 9772 1 13 . 1 1 44 44 LYS H H 44 7.730 7.730 7.624 0.106 18978 9773 1 13 . 1 1 45 45 GLU N N 45 124.090 124.090 126.692 -2.602 18978 9774 1 13 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.406 -0.126 18978 9775 1 13 . 1 1 45 45 GLU C C 45 175.730 175.730 175.603 0.127 18978 9776 1 13 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.069 0.661 18978 9777 1 13 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.647 -0.577 18978 9778 1 13 . 1 1 45 45 GLU H H 45 8.490 8.490 8.674 -0.184 18978 9779 1 13 . 1 1 46 46 VAL N N 46 129.960 129.960 127.241 2.719 18978 9780 1 13 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.277 -0.247 18978 9781 1 13 . 1 1 46 46 VAL C C 46 174.610 174.610 173.595 1.015 18978 9782 1 13 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.173 1.507 18978 9783 1 13 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.647 0.233 18978 9784 1 13 . 1 1 46 46 VAL H H 46 8.920 8.920 8.378 0.542 18978 9785 1 13 . 1 1 47 47 LYS N N 47 124.790 124.790 128.102 -3.312 18978 9786 1 13 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.657 0.463 18978 9787 1 13 . 1 1 47 47 LYS C C 47 175.380 175.380 175.390 -0.010 18978 9788 1 13 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.154 0.046 18978 9789 1 13 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.641 1.029 18978 9790 1 13 . 1 1 47 47 LYS H H 47 7.860 7.860 8.422 -0.562 18978 9791 1 13 . 1 1 48 48 PHE N N 48 118.270 118.270 123.865 -5.595 18978 9792 1 13 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.128 -0.168 18978 9793 1 13 . 1 1 48 48 PHE C C 48 173.950 173.950 174.919 -0.969 18978 9794 1 13 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.886 0.023 18978 9795 1 13 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.230 1.720 18978 9796 1 13 . 1 1 48 48 PHE H H 48 9.270 9.270 8.648 0.622 18978 9797 1 13 . 1 1 49 49 LYS N N 49 121.960 121.960 123.211 -1.251 18978 9798 1 13 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.861 0.049 18978 9799 1 13 . 1 1 49 49 LYS C C 49 176.230 176.230 175.612 0.618 18978 9800 1 13 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.655 -0.745 18978 9801 1 13 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.903 -0.733 18978 9802 1 13 . 1 1 49 49 LYS H H 49 9.170 9.170 8.702 0.468 18978 9803 1 13 . 1 1 50 50 VAL N N 50 127.140 127.140 127.479 -0.339 18978 9804 1 13 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.054 0.116 18978 9805 1 13 . 1 1 50 50 VAL C C 50 175.500 175.500 176.559 -1.059 18978 9806 1 13 . 1 1 50 50 VAL CA C 50 61.980 61.980 62.919 -0.939 18978 9807 1 13 . 1 1 50 50 VAL CB C 50 29.490 29.490 29.861 -0.371 18978 9808 1 13 . 1 1 50 50 VAL H H 50 9.400 9.400 8.291 1.109 18978 9809 1 13 . 1 1 51 51 VAL N N 51 132.840 132.840 130.439 2.401 18978 9810 1 13 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.877 -0.227 18978 9811 1 13 . 1 1 51 51 VAL C C 51 176.440 176.440 176.194 0.246 18978 9812 1 13 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.697 -0.767 18978 9813 1 13 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.181 -0.051 18978 9814 1 13 . 1 1 51 51 VAL H H 51 8.390 8.390 8.557 -0.167 18978 9815 1 13 . 1 1 52 52 GLN N N 52 114.500 114.500 114.224 0.276 18978 9816 1 13 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.585 -0.315 18978 9817 1 13 . 1 1 52 52 GLN C C 52 172.290 172.290 173.441 -1.151 18978 9818 1 13 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.119 1.521 18978 9819 1 13 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.323 -0.693 18978 9820 1 13 . 1 1 52 52 GLN H H 52 7.470 7.470 7.570 -0.100 18978 9821 1 13 . 1 1 53 53 ALA N N 53 131.410 131.410 123.690 7.720 18978 9822 1 13 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.923 -0.093 18978 9823 1 13 . 1 1 53 53 ALA C C 53 174.270 174.270 174.860 -0.590 18978 9824 1 13 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.719 0.081 18978 9825 1 13 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.575 -2.475 18978 9826 1 13 . 1 1 53 53 ALA H H 53 8.200 8.200 8.516 -0.316 18978 9827 1 13 . 1 1 54 54 TYR N N 54 124.140 124.140 123.551 0.589 18978 9828 1 13 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.012 -0.472 18978 9829 1 13 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.584 -1.314 18978 9830 1 13 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.081 -0.721 18978 9831 1 13 . 1 1 54 54 TYR H H 54 8.860 8.860 8.606 0.254 18978 9832 1 13 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.279 -0.159 18978 9833 1 13 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.293 1.157 18978 9834 1 13 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.595 1.575 18978 9835 1 13 . 1 1 56 56 SER N N 56 106.200 106.200 114.965 -8.765 18978 9836 1 13 . 1 1 56 56 SER HA H 56 4.720 4.720 4.723 -0.003 18978 9837 1 13 . 1 1 56 56 SER CA C 56 54.250 54.250 56.427 -2.177 18978 9838 1 13 . 1 1 56 56 SER CB C 56 64.530 64.530 63.813 0.717 18978 9839 1 13 . 1 1 56 56 SER H H 56 7.380 7.380 8.167 -0.787 18978 9840 1 13 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.410 0.470 18978 9841 1 13 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.781 0.209 18978 9842 1 13 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.748 2.472 18978 9843 1 13 . 1 1 58 58 LEU N N 58 120.480 120.480 121.461 -0.981 18978 9844 1 13 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.689 -0.259 18978 9845 1 13 . 1 1 58 58 LEU C C 58 174.570 174.570 174.870 -0.300 18978 9846 1 13 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.377 -0.477 18978 9847 1 13 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.211 -2.001 18978 9848 1 13 . 1 1 58 58 LEU H H 58 8.960 8.960 8.445 0.515 18978 9849 1 13 . 1 1 59 59 ARG N N 59 125.180 125.180 125.566 -0.386 18978 9850 1 13 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.588 0.342 18978 9851 1 13 . 1 1 59 59 ARG C C 59 175.460 175.460 175.471 -0.011 18978 9852 1 13 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.970 -0.930 18978 9853 1 13 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.739 -1.189 18978 9854 1 13 . 1 1 59 59 ARG H H 59 8.130 8.130 8.546 -0.416 18978 9855 1 13 . 1 1 60 60 VAL N N 60 128.170 128.170 128.151 0.019 18978 9856 1 13 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.041 -0.631 18978 9857 1 13 . 1 1 60 60 VAL C C 60 175.460 175.460 174.750 0.710 18978 9858 1 13 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.114 2.096 18978 9859 1 13 . 1 1 60 60 VAL CB C 60 29.840 29.840 32.050 -2.210 18978 9860 1 13 . 1 1 60 60 VAL H H 60 8.450 8.450 8.158 0.292 18978 9861 1 13 . 1 1 61 61 GLU N N 61 127.670 127.670 126.755 0.915 18978 9862 1 13 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.600 0.270 18978 9863 1 13 . 1 1 61 61 GLU C C 61 176.960 176.960 176.593 0.367 18978 9864 1 13 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.667 -0.337 18978 9865 1 13 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.215 0.065 18978 9866 1 13 . 1 1 61 61 GLU H H 61 8.620 8.620 7.971 0.649 18978 9867 1 13 . 1 1 62 62 ASP N N 62 121.140 121.140 121.179 -0.039 18978 9868 1 13 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.302 -0.152 18978 9869 1 13 . 1 1 62 62 ASP C C 62 177.460 177.460 177.136 0.324 18978 9870 1 13 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.595 0.025 18978 9871 1 13 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.888 -0.528 18978 9872 1 13 . 1 1 62 62 ASP H H 62 8.700 8.700 8.833 -0.133 18978 9873 1 13 . 1 1 63 63 ARG N N 63 112.890 112.890 116.052 -3.162 18978 9874 1 13 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.409 -0.129 18978 9875 1 13 . 1 1 63 63 ARG C C 63 176.510 176.510 176.517 -0.007 18978 9876 1 13 . 1 1 63 63 ARG CA C 63 55.450 55.450 55.988 -0.538 18978 9877 1 13 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.586 0.404 18978 9878 1 13 . 1 1 63 63 ARG H H 63 7.760 7.760 8.153 -0.393 18978 9879 1 13 . 1 1 64 64 THR N N 64 120.650 120.650 118.257 2.393 18978 9880 1 13 . 1 1 64 64 THR HA H 64 4.020 4.020 4.436 -0.416 18978 9881 1 13 . 1 1 64 64 THR C C 64 173.810 173.810 174.113 -0.303 18978 9882 1 13 . 1 1 64 64 THR CA C 64 64.060 64.060 63.025 1.035 18978 9883 1 13 . 1 1 64 64 THR CB C 64 69.350 69.350 70.066 -0.716 18978 9884 1 13 . 1 1 64 64 THR H H 64 7.700 7.700 7.610 0.090 18978 9885 1 13 . 1 1 65 65 LYS N N 65 130.950 130.950 127.172 3.778 18978 9886 1 13 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.455 -0.185 18978 9887 1 13 . 1 1 65 65 LYS C C 65 174.560 174.560 175.080 -0.520 18978 9888 1 13 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.153 0.127 18978 9889 1 13 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.517 -0.397 18978 9890 1 13 . 1 1 65 65 LYS H H 65 8.520 8.520 8.333 0.187 18978 9891 1 13 . 1 1 66 66 ILE N N 66 128.020 128.020 125.939 2.081 18978 9892 1 13 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.780 0.070 18978 9893 1 13 . 1 1 66 66 ILE C C 66 174.650 174.650 175.962 -1.312 18978 9894 1 13 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.296 -0.476 18978 9895 1 13 . 1 1 66 66 ILE CB C 66 38.280 38.280 39.762 -1.482 18978 9896 1 13 . 1 1 66 66 ILE H H 66 8.430 8.430 8.572 -0.142 18978 9897 1 13 . 1 1 67 67 THR N N 67 123.870 123.870 122.577 1.293 18978 9898 1 13 . 1 1 67 67 THR HA H 67 4.470 4.470 4.749 -0.279 18978 9899 1 13 . 1 1 67 67 THR C C 67 172.760 172.760 172.565 0.195 18978 9900 1 13 . 1 1 67 67 THR CA C 67 60.740 60.740 60.969 -0.229 18978 9901 1 13 . 1 1 67 67 THR CB C 67 71.320 71.320 71.641 -0.322 18978 9902 1 13 . 1 1 67 67 THR H H 67 8.870 8.870 8.369 0.501 18978 9903 1 13 . 1 1 68 68 LEU N N 68 127.070 127.070 126.315 0.755 18978 9904 1 13 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.998 0.142 18978 9905 1 13 . 1 1 68 68 LEU C C 68 176.610 176.610 176.294 0.316 18978 9906 1 13 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.738 -0.458 18978 9907 1 13 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.416 -0.816 18978 9908 1 13 . 1 1 68 68 LEU H H 68 8.820 8.820 8.544 0.276 18978 9909 1 13 . 1 1 69 69 VAL N N 69 124.120 124.120 126.424 -2.304 18978 9910 1 13 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.365 -0.105 18978 9911 1 13 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.169 0.181 18978 9912 1 13 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.169 0.621 18978 9913 1 13 . 1 1 69 69 VAL H H 69 8.800 8.800 8.288 0.512 18978 9914 1 13 . 1 1 70 70 THR N N 70 114.500 114.500 120.439 -5.939 18978 9915 1 13 . 1 1 70 70 THR HA H 70 4.410 4.410 4.332 0.078 18978 9916 1 13 . 1 1 70 70 THR CA C 70 60.800 60.800 60.769 0.031 18978 9917 1 13 . 1 1 70 70 THR CB C 70 69.650 69.650 70.005 -0.355 18978 9918 1 13 . 1 1 70 70 THR H H 70 8.160 8.160 8.310 -0.150 18978 9919 1 13 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.605 -0.675 18978 9920 1 13 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.009 2.511 18978 9921 1 13 . 1 1 72 72 PRO CB C 72 34.140 34.140 33.225 0.915 18978 9922 1 13 . 1 1 73 73 VAL N N 73 117.500 117.500 118.519 -1.019 18978 9923 1 13 . 1 1 73 73 VAL HA H 73 4.520 4.520 3.998 0.522 18978 9924 1 13 . 1 1 73 73 VAL C C 73 174.100 174.100 175.948 -1.848 18978 9925 1 13 . 1 1 73 73 VAL CA C 73 60.010 60.010 61.608 -1.598 18978 9926 1 13 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.483 0.847 18978 9927 1 13 . 1 1 73 73 VAL H H 73 7.410 7.410 8.105 -0.695 18978 9928 1 13 . 1 1 74 74 ASP N N 74 124.500 124.500 124.690 -0.190 18978 9929 1 13 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.848 0.062 18978 9930 1 13 . 1 1 74 74 ASP C C 74 174.000 174.000 175.539 -1.539 18978 9931 1 13 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.650 -0.200 18978 9932 1 13 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.621 1.729 18978 9933 1 13 . 1 1 74 74 ASP H H 74 8.290 8.290 8.303 -0.013 18978 9934 1 13 . 1 1 75 75 VAL N N 75 122.400 122.400 124.045 -1.645 18978 9935 1 13 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.335 0.355 18978 9936 1 13 . 1 1 75 75 VAL C C 75 174.600 174.600 175.201 -0.601 18978 9937 1 13 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.332 -0.132 18978 9938 1 13 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.716 0.614 18978 9939 1 13 . 1 1 75 75 VAL H H 75 7.780 7.780 8.436 -0.656 18978 9940 1 13 . 1 1 76 76 LEU N N 76 130.300 130.300 127.881 2.419 18978 9941 1 13 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.636 0.084 18978 9942 1 13 . 1 1 76 76 LEU C C 76 174.400 174.400 176.157 -1.757 18978 9943 1 13 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.487 -0.857 18978 9944 1 13 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.022 0.938 18978 9945 1 13 . 1 1 76 76 LEU H H 76 9.200 9.200 8.419 0.781 18978 9946 1 13 . 1 1 77 77 GLU N N 77 118.600 118.600 122.331 -3.731 18978 9947 1 13 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.537 0.783 18978 9948 1 13 . 1 1 77 77 GLU C C 77 174.900 174.900 174.965 -0.065 18978 9949 1 13 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.791 -1.701 18978 9950 1 13 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.113 2.087 18978 9951 1 13 . 1 1 77 77 GLU H H 77 8.010 8.010 8.514 -0.504 18978 9952 1 13 . 1 1 78 78 ALA N N 78 124.500 124.500 124.950 -0.450 18978 9953 1 13 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.498 0.142 18978 9954 1 13 . 1 1 78 78 ALA C C 78 175.500 175.500 177.003 -1.503 18978 9955 1 13 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.479 -0.799 18978 9956 1 13 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.322 0.488 18978 9957 1 13 . 1 1 78 78 ALA H H 78 8.800 8.800 8.172 0.628 18978 9958 1 13 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.427 0.053 18978 9959 1 13 . 1 1 79 79 LYS C C 79 174.700 174.700 175.556 -0.856 18978 9960 1 13 . 1 1 79 79 LYS CA C 79 56.100 56.100 55.925 0.175 18978 9961 1 13 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.092 -1.152 18978 9962 1 13 . 1 1 80 80 ILE N N 80 127.300 127.300 124.048 3.252 18978 9963 1 13 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.288 -0.208 18978 9964 1 13 . 1 1 80 80 ILE C C 80 172.700 172.700 174.900 -2.200 18978 9965 1 13 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.381 -0.441 18978 9966 1 13 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.968 1.962 18978 9967 1 13 . 1 1 80 80 ILE H H 80 7.380 7.380 8.455 -1.075 18978 9968 1 13 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.493 -0.213 18978 9969 1 13 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.080 0.040 18978 9970 1 13 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.521 -0.771 18978 9971 1 13 . 1 1 82 82 GLY N N 82 113.000 113.000 113.386 -0.386 18978 9972 1 13 . 1 1 82 82 GLY C C 82 174.600 174.600 174.029 0.571 18978 9973 1 13 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.613 2.257 18978 9974 1 13 . 1 1 82 82 GLY H H 82 8.210 8.210 8.728 -0.518 18978 9975 1 13 . 1 1 83 83 ILE N N 83 121.200 121.200 119.003 2.197 18978 9976 1 13 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.943 -0.603 18978 9977 1 13 . 1 1 83 83 ILE C C 83 175.000 175.000 176.298 -1.298 18978 9978 1 13 . 1 1 83 83 ILE CA C 83 64.710 64.710 61.732 2.978 18978 9979 1 13 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.137 -0.647 18978 9980 1 13 . 1 1 83 83 ILE H H 83 8.350 8.350 7.975 0.375 18978 9981 1 13 . 1 1 84 84 LYS N N 84 129.400 129.400 128.186 1.214 18978 9982 1 13 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.377 0.113 18978 9983 1 13 . 1 1 84 84 LYS C C 84 175.000 175.000 176.258 -1.258 18978 9984 1 13 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.025 -0.955 18978 9985 1 13 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.161 0.329 18978 9986 1 13 . 1 1 84 84 LYS H H 84 9.160 9.160 8.654 0.506 18978 9987 1 13 . 1 1 85 85 ASP N N 85 117.500 117.500 117.166 0.334 18978 9988 1 13 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.884 -0.104 18978 9989 1 13 . 1 1 85 85 ASP C C 85 173.200 173.200 173.733 -0.533 18978 9990 1 13 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.992 -0.902 18978 9991 1 13 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.223 -0.733 18978 9992 1 13 . 1 1 85 85 ASP H H 85 7.990 7.990 7.847 0.143 18978 9993 1 13 . 1 1 86 86 VAL N N 86 119.400 119.400 121.777 -2.377 18978 9994 1 13 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.597 0.573 18978 9995 1 13 . 1 1 86 86 VAL C C 86 172.500 172.500 175.015 -2.515 18978 9996 1 13 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.848 -1.098 18978 9997 1 13 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.483 0.677 18978 9998 1 13 . 1 1 86 86 VAL H H 86 8.210 8.210 8.399 -0.189 18978 9999 1 13 . 1 1 87 87 ILE N N 87 127.100 127.100 127.404 -0.304 18978 10000 1 13 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.458 -0.248 18978 10001 1 13 . 1 1 87 87 ILE C C 87 173.600 173.600 174.098 -0.498 18978 10002 1 13 . 1 1 87 87 ILE CA C 87 60.470 60.470 58.961 1.509 18978 10003 1 13 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.225 2.264 18978 10004 1 13 . 1 1 87 87 ILE H H 87 9.190 9.190 8.789 0.401 18978 10005 1 13 . 1 1 88 88 LEU N N 88 125.700 125.700 129.032 -3.332 18978 10006 1 13 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.681 0.359 18978 10007 1 13 . 1 1 88 88 LEU C C 88 174.500 174.500 175.375 -0.875 18978 10008 1 13 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.223 -1.283 18978 10009 1 13 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.634 -1.124 18978 10010 1 13 . 1 1 88 88 LEU H H 88 7.840 7.840 8.482 -0.642 18978 10011 1 13 . 1 1 89 89 ASP N N 89 127.800 127.800 125.039 2.761 18978 10012 1 13 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.039 -0.269 18978 10013 1 13 . 1 1 89 89 ASP C C 89 174.100 174.100 176.202 -2.102 18978 10014 1 13 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.466 0.154 18978 10015 1 13 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.495 -0.424 18978 10016 1 13 . 1 1 89 89 ASP H H 89 8.280 8.280 8.777 -0.497 18978 10017 1 13 . 1 1 90 90 GLU N N 90 122.400 122.400 123.256 -0.856 18978 10018 1 13 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.029 -0.179 18978 10019 1 13 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.429 -0.599 18978 10020 1 13 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.832 -0.422 18978 10021 1 13 . 1 1 90 90 GLU H H 90 8.980 8.980 8.831 0.149 18978 10022 1 13 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.930 -0.650 18978 10023 1 13 . 1 1 91 91 ASN C C 91 173.600 173.600 173.710 -0.110 18978 10024 1 13 . 1 1 91 91 ASN CA C 91 54.160 54.160 53.147 1.013 18978 10025 1 13 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.927 -0.027 18978 10026 1 13 . 1 1 92 92 LEU N N 92 117.400 117.400 119.240 -1.840 18978 10027 1 13 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.732 0.298 18978 10028 1 13 . 1 1 92 92 LEU C C 92 174.700 174.700 174.232 0.468 18978 10029 1 13 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.495 -0.795 18978 10030 1 13 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.200 0.050 18978 10031 1 13 . 1 1 92 92 LEU H H 92 7.110 7.110 7.802 -0.692 18978 10032 1 13 . 1 1 93 93 ILE N N 93 121.300 121.300 121.532 -0.232 18978 10033 1 13 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.562 -0.112 18978 10034 1 13 . 1 1 93 93 ILE C C 93 174.000 174.000 174.405 -0.405 18978 10035 1 13 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.681 0.290 18978 10036 1 13 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.595 0.035 18978 10037 1 13 . 1 1 93 93 ILE H H 93 8.450 8.450 8.564 -0.114 18978 10038 1 13 . 1 1 94 94 VAL N N 94 128.000 128.000 128.194 -0.194 18978 10039 1 13 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.872 -0.032 18978 10040 1 13 . 1 1 94 94 VAL C C 94 174.000 174.000 174.609 -0.609 18978 10041 1 13 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.082 0.018 18978 10042 1 13 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.823 -1.703 18978 10043 1 13 . 1 1 94 94 VAL H H 94 8.970 8.970 8.552 0.418 18978 10044 1 13 . 1 1 95 95 VAL N N 95 127.700 127.700 126.916 0.784 18978 10045 1 13 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.583 0.087 18978 10046 1 13 . 1 1 95 95 VAL C C 95 173.300 173.300 174.627 -1.327 18978 10047 1 13 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.050 -0.209 18978 10048 1 13 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.743 -0.503 18978 10049 1 13 . 1 1 95 95 VAL H H 95 9.420 9.420 8.593 0.827 18978 10050 1 13 . 1 1 96 96 ILE N N 96 126.000 126.000 127.222 -1.222 18978 10051 1 13 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.945 0.275 18978 10052 1 13 . 1 1 96 96 ILE C C 96 177.100 177.100 175.618 1.482 18978 10053 1 13 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.798 -0.228 18978 10054 1 13 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.091 0.659 18978 10055 1 13 . 1 1 96 96 ILE H H 96 8.460 8.460 8.645 -0.185 18978 10056 1 13 . 1 1 97 97 THR N N 97 118.100 118.100 118.132 -0.032 18978 10057 1 13 . 1 1 97 97 THR HA H 97 5.250 5.250 4.842 0.408 18978 10058 1 13 . 1 1 97 97 THR C C 97 176.300 176.300 175.527 0.773 18978 10059 1 13 . 1 1 97 97 THR CA C 97 59.650 59.650 59.763 -0.113 18978 10060 1 13 . 1 1 97 97 THR CB C 97 71.890 71.890 71.531 0.359 18978 10061 1 13 . 1 1 97 97 THR H H 97 9.050 9.050 8.453 0.597 18978 10062 1 13 . 1 1 98 98 GLU N N 98 120.100 120.100 123.462 -3.362 18978 10063 1 13 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.973 0.147 18978 10064 1 13 . 1 1 98 98 GLU C C 98 176.200 176.200 177.400 -1.200 18978 10065 1 13 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.519 -1.629 18978 10066 1 13 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.678 -0.148 18978 10067 1 13 . 1 1 98 98 GLU H H 98 9.220 9.220 8.316 0.904 18978 10068 1 13 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.352 -0.202 18978 10069 1 13 . 1 1 99 99 GLU C C 99 174.200 174.200 175.758 -1.558 18978 10070 1 13 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.255 1.955 18978 10071 1 13 . 1 1 99 99 GLU CB C 99 29.870 29.870 29.047 0.823 18978 10072 1 13 . 1 1 100 100 ASN N N 100 113.200 113.200 114.686 -1.486 18978 10073 1 13 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.414 -0.304 18978 10074 1 13 . 1 1 100 100 ASN C C 100 173.700 173.700 173.461 0.239 18978 10075 1 13 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.495 -0.095 18978 10076 1 13 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.359 -0.499 18978 10077 1 13 . 1 1 100 100 ASN H H 100 8.020 8.020 8.052 -0.032 18978 10078 1 13 . 1 1 101 101 GLU N N 101 115.500 115.500 118.054 -2.554 18978 10079 1 13 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.765 0.385 18978 10080 1 13 . 1 1 101 101 GLU C C 101 174.900 174.900 174.298 0.602 18978 10081 1 13 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.163 -0.113 18978 10082 1 13 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.399 -1.999 18978 10083 1 13 . 1 1 101 101 GLU H H 101 7.230 7.230 7.332 -0.102 18978 10084 1 13 . 1 1 102 102 VAL N N 102 122.700 122.700 124.207 -1.507 18978 10085 1 13 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.489 0.431 18978 10086 1 13 . 1 1 102 102 VAL C C 102 173.700 173.700 174.501 -0.801 18978 10087 1 13 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.434 -0.513 18978 10088 1 13 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.374 0.436 18978 10089 1 13 . 1 1 102 102 VAL H H 102 8.710 8.710 8.822 -0.112 18978 10090 1 13 . 1 1 103 103 LEU N N 103 127.300 127.300 128.144 -0.844 18978 10091 1 13 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.786 -0.486 18978 10092 1 13 . 1 1 103 103 LEU C C 103 174.500 174.500 175.414 -0.914 18978 10093 1 13 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.705 0.115 18978 10094 1 13 . 1 1 103 103 LEU H H 103 9.140 9.140 8.377 0.763 18978 10095 1 13 . 1 1 104 104 ILE N N 104 122.200 122.200 122.030 0.170 18978 10096 1 13 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.672 0.068 18978 10097 1 13 . 1 1 104 104 ILE C C 104 173.600 173.600 174.594 -0.994 18978 10098 1 13 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.433 -0.213 18978 10099 1 13 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.507 -0.357 18978 10100 1 13 . 1 1 104 104 ILE H H 104 8.470 8.470 8.192 0.278 18978 10101 1 13 . 1 1 105 105 PHE N N 105 126.600 126.600 125.644 0.956 18978 10102 1 13 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.673 -0.103 18978 10103 1 13 . 1 1 105 105 PHE C C 105 175.800 175.800 175.274 0.526 18978 10104 1 13 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.862 -0.412 18978 10105 1 13 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.469 1.201 18978 10106 1 13 . 1 1 105 105 PHE H H 105 9.330 9.330 9.023 0.307 18978 10107 1 13 . 1 1 106 106 ASN N N 106 116.000 116.000 118.160 -2.160 18978 10108 1 13 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.073 0.397 18978 10109 1 13 . 1 1 106 106 ASN C C 106 176.700 176.700 177.202 -0.502 18978 10110 1 13 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.349 -0.849 18978 10111 1 13 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.431 -0.832 18978 10112 1 13 . 1 1 106 106 ASN H H 106 7.710 7.710 8.280 -0.570 18978 10113 1 13 . 1 1 107 107 GLN N N 107 114.500 114.500 119.599 -5.099 18978 10114 1 13 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.075 -0.185 18978 10115 1 13 . 1 1 107 107 GLN C C 107 173.700 173.700 176.356 -2.656 18978 10116 1 13 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.978 -1.468 18978 10117 1 13 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.249 -1.159 18978 10118 1 13 . 1 1 107 107 GLN H H 107 8.040 8.040 8.809 -0.769 18978 10119 1 13 . 1 1 108 108 ASN N N 108 115.800 115.800 115.885 -0.085 18978 10120 1 13 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.653 0.017 18978 10121 1 13 . 1 1 108 108 ASN C C 108 173.600 173.600 175.588 -1.988 18978 10122 1 13 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.822 -0.732 18978 10123 1 13 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.068 0.792 18978 10124 1 13 . 1 1 108 108 ASN H H 108 7.440 7.440 8.241 -0.801 18978 10125 1 13 . 1 1 109 109 LEU N N 109 115.200 115.200 119.405 -4.205 18978 10126 1 13 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.874 -0.344 18978 10127 1 13 . 1 1 109 109 LEU C C 109 174.700 174.700 175.119 -0.419 18978 10128 1 13 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.048 -0.278 18978 10129 1 13 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.174 -1.474 18978 10130 1 13 . 1 1 109 109 LEU H H 109 8.220 8.220 7.670 0.550 18978 10131 1 13 . 1 1 110 110 GLU N N 110 117.600 117.600 118.714 -1.114 18978 10132 1 13 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.738 -0.318 18978 10133 1 13 . 1 1 110 110 GLU C C 110 175.800 175.800 175.603 0.197 18978 10134 1 13 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.693 0.487 18978 10135 1 13 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.509 -2.689 18978 10136 1 13 . 1 1 110 110 GLU H H 110 7.550 7.550 8.254 -0.704 18978 10137 1 13 . 1 1 111 111 GLU N N 111 125.900 125.900 124.604 1.296 18978 10138 1 13 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.189 -0.359 18978 10139 1 13 . 1 1 111 111 GLU C C 111 175.400 175.400 176.130 -0.730 18978 10140 1 13 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.846 -0.206 18978 10141 1 13 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.894 0.726 18978 10142 1 13 . 1 1 111 111 GLU H H 111 8.350 8.350 9.021 -0.671 18978 10143 1 13 . 1 1 112 112 LEU N N 112 128.000 128.000 128.208 -0.208 18978 10144 1 13 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.444 -0.174 18978 10145 1 13 . 1 1 112 112 LEU C C 112 176.100 176.100 176.569 -0.469 18978 10146 1 13 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.331 -0.301 18978 10147 1 13 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.901 -1.131 18978 10148 1 13 . 1 1 112 112 LEU H H 112 9.110 9.110 8.370 0.740 18978 10149 1 13 . 1 1 113 113 TYR N N 113 116.300 116.300 119.782 -3.482 18978 10150 1 13 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.653 -0.323 18978 10151 1 13 . 1 1 113 113 TYR C C 113 171.700 171.700 173.031 -1.331 18978 10152 1 13 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.252 0.708 18978 10153 1 13 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.023 -0.303 18978 10154 1 13 . 1 1 113 113 TYR H H 113 7.250 7.250 7.437 -0.187 18978 10155 1 13 . 1 1 114 114 ARG N N 114 126.200 126.200 127.603 -1.403 18978 10156 1 13 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.846 0.174 18978 10157 1 13 . 1 1 114 114 ARG C C 114 173.500 173.500 174.467 -0.967 18978 10158 1 13 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.798 -0.178 18978 10159 1 13 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.251 1.199 18978 10160 1 13 . 1 1 114 114 ARG H H 114 6.560 6.560 8.113 -1.552 18978 10161 1 13 . 1 1 115 115 GLY N N 115 111.300 111.300 112.953 -1.653 18978 10162 1 13 . 1 1 115 115 GLY C C 115 178.100 178.100 171.328 6.772 18978 10163 1 13 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.608 -0.198 18978 10164 1 13 . 1 1 115 115 GLY H H 115 8.320 8.320 8.249 0.071 18978 10165 1 13 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.506 0.264 18978 10166 1 13 . 1 1 116 116 LYS C C 116 174.400 174.400 174.687 -0.287 18978 10167 1 13 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.174 0.016 18978 10168 1 13 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.346 -1.006 18978 10169 1 13 . 1 1 117 117 PHE N N 117 125.800 125.800 122.927 2.873 18978 10170 1 13 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.843 -0.293 18978 10171 1 13 . 1 1 117 117 PHE C C 117 174.000 174.000 176.047 -2.047 18978 10172 1 13 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.062 -0.212 18978 10173 1 13 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.971 0.189 18978 10174 1 13 . 1 1 117 117 PHE H H 117 8.090 8.090 8.556 -0.466 18978 10175 1 13 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.825 -0.165 18978 10176 1 13 . 1 1 119 119 ASN C C 119 173.500 173.500 174.085 -0.585 18978 10177 1 13 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.211 0.269 18978 10178 1 13 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.459 -0.270 18978 10179 1 13 . 1 1 120 120 LEU N N 120 120.200 120.200 122.372 -2.172 18978 10180 1 13 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.088 -0.258 18978 10181 1 13 . 1 1 120 120 LEU C C 120 175.000 175.000 176.108 -1.108 18978 10182 1 13 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.229 0.041 18978 10183 1 13 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.300 0.470 18978 10184 1 13 . 1 1 120 120 LEU H H 120 6.900 6.900 7.735 -0.835 18978 10185 1 13 . 1 1 121 121 ASN N N 121 124.200 124.200 124.840 -0.640 18978 10186 1 13 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.909 -0.019 18978 10187 1 13 . 1 1 121 121 ASN C C 121 174.300 174.300 174.891 -0.591 18978 10188 1 13 . 1 1 121 121 ASN CA C 121 53.880 53.880 53.672 0.208 18978 10189 1 13 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.666 -0.226 18978 10190 1 13 . 1 1 121 121 ASN H H 121 8.900 8.900 8.620 0.280 18978 10191 1 13 . 1 1 122 122 LYS N N 122 115.100 115.100 119.254 -4.154 18978 10192 1 13 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.596 -0.126 18978 10193 1 13 . 1 1 122 122 LYS C C 122 172.500 172.500 174.243 -1.743 18978 10194 1 13 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.414 0.286 18978 10195 1 13 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.473 -0.813 18978 10196 1 13 . 1 1 122 122 LYS H H 122 7.410 7.410 7.821 -0.411 18978 10197 1 13 . 1 1 123 123 VAL N N 123 121.500 121.500 121.853 -0.353 18978 10198 1 13 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.438 0.382 18978 10199 1 13 . 1 1 123 123 VAL C C 123 173.400 173.400 175.178 -1.778 18978 10200 1 13 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.334 -0.644 18978 10201 1 13 . 1 1 123 123 VAL CB C 123 34.150 34.150 32.731 1.419 18978 10202 1 13 . 1 1 123 123 VAL H H 123 7.730 7.730 8.421 -0.691 18978 10203 1 13 . 1 1 124 124 LEU N N 124 126.600 126.600 130.160 -3.560 18978 10204 1 13 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.830 -0.110 18978 10205 1 13 . 1 1 124 124 LEU C C 124 174.200 174.200 174.896 -0.696 18978 10206 1 13 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.005 -0.625 18978 10207 1 13 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.127 -0.017 18978 10208 1 13 . 1 1 124 124 LEU H H 124 9.060 9.060 8.379 0.681 18978 10209 1 13 . 1 1 125 125 VAL N N 125 120.300 120.300 121.805 -1.505 18978 10210 1 13 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.540 0.130 18978 10211 1 13 . 1 1 125 125 VAL C C 125 174.700 174.700 174.608 0.092 18978 10212 1 13 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.938 -0.648 18978 10213 1 13 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.389 -0.139 18978 10214 1 13 . 1 1 125 125 VAL H H 125 8.030 8.030 8.430 -0.400 18978 10215 1 13 . 1 1 126 126 ARG N N 126 127.100 127.100 128.125 -1.025 18978 10216 1 13 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.857 -0.387 18978 10217 1 13 . 1 1 126 126 ARG C C 126 174.400 174.400 175.750 -1.350 18978 10218 1 13 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.483 2.347 18978 10219 1 13 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.388 -1.088 18978 10220 1 13 . 1 1 126 126 ARG H H 126 8.630 8.630 8.353 0.277 18978 10221 1 13 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.283 0.007 18978 10222 1 13 . 1 1 127 127 ASN C C 127 172.600 172.600 174.005 -1.405 18978 10223 1 13 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.323 -0.263 18978 10224 1 13 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.920 -0.970 18978 10225 1 13 . 1 1 128 128 ASP N N 128 117.600 117.600 119.027 -1.427 18978 10226 1 13 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.671 -0.221 18978 10227 1 13 . 1 1 128 128 ASP C C 128 174.000 174.000 175.052 -1.052 18978 10228 1 13 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.642 -0.123 18978 10229 1 13 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.532 -1.722 18978 10230 1 13 . 1 1 128 128 ASP H H 128 8.560 8.560 8.399 0.161 18978 10231 1 13 . 1 1 129 129 LEU N N 129 121.500 121.500 122.225 -0.725 18978 10232 1 13 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.656 0.414 18978 10233 1 13 . 1 1 129 129 LEU C C 129 174.800 174.800 174.297 0.503 18978 10234 1 13 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.389 -0.589 18978 10235 1 13 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.894 0.226 18978 10236 1 13 . 1 1 129 129 LEU H H 129 7.730 7.730 7.906 -0.176 18978 10237 1 13 . 1 1 130 130 VAL N N 130 120.600 120.600 125.643 -5.043 18978 10238 1 13 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.479 0.231 18978 10239 1 13 . 1 1 130 130 VAL C C 130 173.500 173.500 174.266 -0.766 18978 10240 1 13 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.100 0.420 18978 10241 1 13 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.040 -0.290 18978 10242 1 13 . 1 1 130 130 VAL H H 130 8.410 8.410 8.216 0.194 18978 10243 1 13 . 1 1 131 131 VAL HA H 131 4.600 4.600 5.005 -0.405 18978 10244 1 13 . 1 1 131 131 VAL CA C 131 60.590 60.590 59.933 0.657 18978 10245 1 13 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.023 -1.163 18978 10246 1 13 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.397 -0.097 18978 10247 1 13 . 1 1 132 132 ILE C C 132 174.900 174.900 174.413 0.487 18978 10248 1 13 . 1 1 132 132 ILE CA C 132 60.480 60.480 59.983 0.497 18978 10249 1 13 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.834 -0.784 18978 10250 1 13 . 1 1 133 133 ILE N N 133 126.200 126.200 127.099 -0.899 18978 10251 1 13 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.460 0.210 18978 10252 1 13 . 1 1 133 133 ILE C C 133 174.200 174.200 174.190 0.010 18978 10253 1 13 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.458 1.472 18978 10254 1 13 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.984 1.136 18978 10255 1 13 . 1 1 133 133 ILE H H 133 8.490 8.490 8.481 0.009 18978 10256 1 13 . 1 1 134 134 ASP N N 134 130.100 130.100 125.406 4.694 18978 10257 1 13 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.205 -0.255 18978 10258 1 13 . 1 1 134 134 ASP C C 134 174.600 174.600 176.664 -2.064 18978 10259 1 13 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.971 0.419 18978 10260 1 13 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.703 -0.333 18978 10261 1 13 . 1 1 134 134 ASP H H 134 8.360 8.360 8.158 0.202 18978 10262 1 13 . 1 1 135 135 GLU N N 135 118.000 118.000 120.550 -2.550 18978 10263 1 13 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.929 0.281 18978 10264 1 13 . 1 1 135 135 GLU C C 135 176.200 176.200 177.292 -1.092 18978 10265 1 13 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.383 -0.633 18978 10266 1 13 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.815 0.475 18978 10267 1 13 . 1 1 135 135 GLU H H 135 7.840 7.840 8.480 -0.640 18978 10268 1 13 . 1 1 136 136 GLN N N 136 115.200 115.200 114.871 0.329 18978 10269 1 13 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.338 0.532 18978 10270 1 13 . 1 1 136 136 GLN C C 136 174.900 174.900 175.839 -0.939 18978 10271 1 13 . 1 1 136 136 GLN CA C 136 55.500 55.500 55.938 -0.438 18978 10272 1 13 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.036 0.894 18978 10273 1 13 . 1 1 136 136 GLN H H 136 8.860 8.860 8.408 0.452 18978 10274 1 13 . 1 1 137 137 LYS N N 137 118.100 118.100 116.921 1.179 18978 10275 1 13 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.498 0.412 18978 10276 1 13 . 1 1 137 137 LYS C C 137 172.400 172.400 173.484 -1.084 18978 10277 1 13 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.414 0.486 18978 10278 1 13 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.938 0.602 18978 10279 1 13 . 1 1 137 137 LYS H H 137 8.260 8.260 7.907 0.353 18978 10280 1 13 . 1 1 138 138 LEU N N 138 123.500 123.500 121.911 1.589 18978 10281 1 13 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.801 0.059 18978 10282 1 13 . 1 1 138 138 LEU C C 138 174.400 174.400 175.828 -1.428 18978 10283 1 13 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.892 -0.382 18978 10284 1 13 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.975 -0.015 18978 10285 1 13 . 1 1 138 138 LEU H H 138 8.410 8.410 8.427 -0.017 18978 10286 1 13 . 1 1 139 139 THR N N 139 123.600 123.600 123.245 0.355 18978 10287 1 13 . 1 1 139 139 THR HA H 139 4.830 4.830 4.635 0.195 18978 10288 1 13 . 1 1 139 139 THR C C 139 171.400 171.400 172.596 -1.196 18978 10289 1 13 . 1 1 139 139 THR CA C 139 62.240 62.240 62.166 0.075 18978 10290 1 13 . 1 1 139 139 THR CB C 139 70.120 70.120 70.187 -0.067 18978 10291 1 13 . 1 1 139 139 THR H H 139 8.820 8.820 8.348 0.472 18978 10292 1 13 . 1 1 140 140 LEU N N 140 130.500 130.500 129.053 1.447 18978 10293 1 13 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.648 0.382 18978 10294 1 13 . 1 1 140 140 LEU C C 140 173.700 173.700 175.283 -1.583 18978 10295 1 13 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.375 -0.995 18978 10296 1 13 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.121 0.769 18978 10297 1 13 . 1 1 140 140 LEU H H 140 9.250 9.250 8.614 0.636 18978 10298 1 13 . 1 1 141 141 ILE N N 141 127.300 127.300 128.217 -0.917 18978 10299 1 13 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.354 0.306 18978 10300 1 13 . 1 1 141 141 ILE C C 141 174.200 174.200 174.373 -0.173 18978 10301 1 13 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.555 -1.045 18978 10302 1 13 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.240 -1.390 18978 10303 1 13 . 1 1 141 141 ILE H H 141 9.140 9.140 8.672 0.468 18978 10304 1 13 . 1 1 142 142 ARG N N 142 126.500 126.500 127.156 -0.656 18978 10305 1 13 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.587 0.293 18978 10306 1 13 . 1 1 142 142 ARG C C 142 175.100 175.100 176.249 -1.149 18978 10307 1 13 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.267 -0.727 18978 10308 1 13 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.420 0.080 18978 10309 1 13 . 1 1 142 142 ARG H H 142 8.550 8.550 8.739 -0.189 18978 10310 1 14 . 1 1 -2 -2 GLY N N -2 110.000 110.000 112.470 -2.470 18978 10311 1 14 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.813 0.337 18978 10312 1 14 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.013 0.377 18978 10313 1 14 . 1 1 -1 -1 VAL N N -1 119.730 119.730 123.019 -3.289 18978 10314 1 14 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.206 -0.166 18978 10315 1 14 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.991 -0.111 18978 10316 1 14 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.935 0.174 18978 10317 1 14 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.413 -0.654 18978 10318 1 14 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.190 -0.320 18978 10319 1 14 . 1 1 0 0 ILE N N 0 125.570 125.570 126.050 -0.480 18978 10320 1 14 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.439 -0.349 18978 10321 1 14 . 1 1 0 0 ILE C C 0 175.850 175.850 176.076 -0.226 18978 10322 1 14 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.619 0.181 18978 10323 1 14 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.692 -0.222 18978 10324 1 14 . 1 1 0 0 ILE H H 0 8.230 8.230 8.183 0.047 18978 10325 1 14 . 1 1 1 1 MET N N 1 125.930 125.930 125.223 0.707 18978 10326 1 14 . 1 1 1 1 MET HA H 1 4.540 4.540 4.705 -0.165 18978 10327 1 14 . 1 1 1 1 MET C C 1 174.830 174.830 175.600 -0.770 18978 10328 1 14 . 1 1 1 1 MET CA C 1 54.790 54.790 55.181 -0.391 18978 10329 1 14 . 1 1 1 1 MET CB C 1 32.640 32.640 33.712 -1.072 18978 10330 1 14 . 1 1 1 1 MET H H 1 8.370 8.370 8.421 -0.051 18978 10331 1 14 . 1 1 2 2 SER N N 2 116.400 116.400 114.929 1.471 18978 10332 1 14 . 1 1 2 2 SER HA H 2 5.030 5.030 4.949 0.081 18978 10333 1 14 . 1 1 2 2 SER C C 2 174.330 174.330 173.450 0.880 18978 10334 1 14 . 1 1 2 2 SER CA C 2 57.320 57.320 57.171 0.149 18978 10335 1 14 . 1 1 2 2 SER CB C 2 64.790 64.790 66.796 -2.006 18978 10336 1 14 . 1 1 2 2 SER H H 2 7.990 7.990 8.339 -0.349 18978 10337 1 14 . 1 1 3 3 GLU N N 3 123.670 123.670 121.145 2.525 18978 10338 1 14 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.406 -0.156 18978 10339 1 14 . 1 1 3 3 GLU C C 3 172.980 172.980 174.817 -1.837 18978 10340 1 14 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.630 -0.240 18978 10341 1 14 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.441 -0.531 18978 10342 1 14 . 1 1 3 3 GLU H H 3 9.430 9.430 8.456 0.974 18978 10343 1 14 . 1 1 4 4 LEU N N 4 125.350 125.350 123.337 2.013 18978 10344 1 14 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.874 -0.004 18978 10345 1 14 . 1 1 4 4 LEU C C 4 174.000 174.000 175.461 -1.461 18978 10346 1 14 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.666 -0.646 18978 10347 1 14 . 1 1 4 4 LEU CB C 4 46.040 46.040 44.705 1.335 18978 10348 1 14 . 1 1 4 4 LEU H H 4 8.930 8.930 8.540 0.390 18978 10349 1 14 . 1 1 5 5 LYS N N 5 124.640 124.640 123.803 0.837 18978 10350 1 14 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.086 0.274 18978 10351 1 14 . 1 1 5 5 LYS C C 5 175.660 175.660 175.475 0.185 18978 10352 1 14 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.384 -0.444 18978 10353 1 14 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.045 0.235 18978 10354 1 14 . 1 1 5 5 LYS H H 5 8.840 8.840 8.451 0.389 18978 10355 1 14 . 1 1 6 6 LEU N N 6 123.460 123.460 124.847 -1.387 18978 10356 1 14 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.011 0.419 18978 10357 1 14 . 1 1 6 6 LEU C C 6 174.630 174.630 175.207 -0.577 18978 10358 1 14 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.412 -0.512 18978 10359 1 14 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.673 1.237 18978 10360 1 14 . 1 1 6 6 LEU H H 6 8.820 8.820 8.279 0.541 18978 10361 1 14 . 1 1 7 7 LYS N N 7 122.230 122.230 121.202 1.028 18978 10362 1 14 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.061 0.429 18978 10363 1 14 . 1 1 7 7 LYS CA C 7 52.270 52.270 53.131 -0.861 18978 10364 1 14 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.005 0.495 18978 10365 1 14 . 1 1 7 7 LYS H H 7 9.110 9.110 8.507 0.603 18978 10366 1 14 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.519 -0.419 18978 10367 1 14 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.280 0.160 18978 10368 1 14 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.829 -2.189 18978 10369 1 14 . 1 1 9 9 LEU N N 9 123.250 123.250 121.808 1.442 18978 10370 1 14 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.365 -0.045 18978 10371 1 14 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.489 1.191 18978 10372 1 14 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.224 -1.464 18978 10373 1 14 . 1 1 9 9 LEU H H 9 8.490 8.490 7.843 0.647 18978 10374 1 14 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.439 0.091 18978 10375 1 14 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.185 0.695 18978 10376 1 14 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.047 -0.627 18978 10377 1 14 . 1 1 11 11 LYS N N 11 119.160 119.160 122.742 -3.582 18978 10378 1 14 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.317 -0.207 18978 10379 1 14 . 1 1 11 11 LYS C C 11 175.680 175.680 175.493 0.187 18978 10380 1 14 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.281 -0.071 18978 10381 1 14 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.847 -1.187 18978 10382 1 14 . 1 1 11 11 LYS H H 11 8.180 8.180 8.350 -0.170 18978 10383 1 14 . 1 1 12 12 VAL N N 12 121.820 121.820 124.493 -2.673 18978 10384 1 14 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.312 -0.032 18978 10385 1 14 . 1 1 12 12 VAL C C 12 173.690 173.690 174.619 -0.929 18978 10386 1 14 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.374 -0.544 18978 10387 1 14 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.999 -0.449 18978 10388 1 14 . 1 1 12 12 VAL H H 12 7.530 7.530 8.056 -0.526 18978 10389 1 14 . 1 1 13 13 GLU N N 13 125.610 125.610 126.168 -0.558 18978 10390 1 14 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.581 -0.251 18978 10391 1 14 . 1 1 13 13 GLU C C 13 175.390 175.390 175.173 0.217 18978 10392 1 14 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.889 -0.669 18978 10393 1 14 . 1 1 13 13 GLU CB C 13 29.970 29.970 29.800 0.170 18978 10394 1 14 . 1 1 13 13 GLU H H 13 8.270 8.270 8.435 -0.165 18978 10395 1 14 . 1 1 14 14 LEU N N 14 125.880 125.880 128.092 -2.212 18978 10396 1 14 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.619 -0.099 18978 10397 1 14 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.012 -0.352 18978 10398 1 14 . 1 1 14 14 LEU CB C 14 41.750 41.750 42.149 -0.399 18978 10399 1 14 . 1 1 14 14 LEU H H 14 8.480 8.480 8.252 0.228 18978 10400 1 14 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.597 0.163 18978 10401 1 14 . 1 1 15 15 PRO CA C 15 61.330 61.330 62.024 -0.694 18978 10402 1 14 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.323 -0.263 18978 10403 1 14 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.235 0.155 18978 10404 1 14 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.186 -0.636 18978 10405 1 14 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.884 -0.114 18978 10406 1 14 . 1 1 17 17 ASP N N 17 115.820 115.820 115.231 0.589 18978 10407 1 14 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.600 0.020 18978 10408 1 14 . 1 1 17 17 ASP C C 17 177.100 177.100 176.867 0.233 18978 10409 1 14 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.064 -0.174 18978 10410 1 14 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.128 -0.008 18978 10411 1 14 . 1 1 17 17 ASP H H 17 8.560 8.560 8.715 -0.155 18978 10412 1 14 . 1 1 18 18 PHE N N 18 119.610 119.610 121.916 -2.306 18978 10413 1 14 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.108 0.072 18978 10414 1 14 . 1 1 18 18 PHE C C 18 176.740 176.740 176.557 0.183 18978 10415 1 14 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.979 -0.959 18978 10416 1 14 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.331 -0.101 18978 10417 1 14 . 1 1 18 18 PHE H H 18 7.940 7.940 7.728 0.212 18978 10418 1 14 . 1 1 19 19 VAL N N 19 116.370 116.370 118.458 -2.088 18978 10419 1 14 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.630 -0.280 18978 10420 1 14 . 1 1 19 19 VAL C C 19 176.400 176.400 177.721 -1.321 18978 10421 1 14 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.064 -0.554 18978 10422 1 14 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.205 -0.185 18978 10423 1 14 . 1 1 19 19 VAL H H 19 8.010 8.010 8.261 -0.251 18978 10424 1 14 . 1 1 20 20 ASP N N 20 119.190 119.190 119.554 -0.364 18978 10425 1 14 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.340 -0.030 18978 10426 1 14 . 1 1 20 20 ASP C C 20 178.360 178.360 179.003 -0.643 18978 10427 1 14 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.840 -0.730 18978 10428 1 14 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.305 0.145 18978 10429 1 14 . 1 1 20 20 ASP H H 20 7.420 7.420 7.559 -0.139 18978 10430 1 14 . 1 1 21 21 VAL N N 21 119.830 119.830 120.306 -0.476 18978 10431 1 14 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.542 -0.032 18978 10432 1 14 . 1 1 21 21 VAL C C 21 178.100 178.100 177.965 0.135 18978 10433 1 14 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.127 -0.557 18978 10434 1 14 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.565 -0.155 18978 10435 1 14 . 1 1 21 21 VAL H H 21 7.190 7.190 7.355 -0.165 18978 10436 1 14 . 1 1 22 22 ILE N N 22 118.490 118.490 119.068 -0.578 18978 10437 1 14 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.479 -0.309 18978 10438 1 14 . 1 1 22 22 ILE C C 22 176.660 176.660 178.031 -1.371 18978 10439 1 14 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.523 1.697 18978 10440 1 14 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.152 1.348 18978 10441 1 14 . 1 1 22 22 ILE H H 22 7.660 7.660 7.515 0.145 18978 10442 1 14 . 1 1 23 23 ARG N N 23 118.260 118.260 120.591 -2.331 18978 10443 1 14 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.946 -0.566 18978 10444 1 14 . 1 1 23 23 ARG C C 23 178.060 178.060 178.845 -0.785 18978 10445 1 14 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.981 0.589 18978 10446 1 14 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.123 -0.053 18978 10447 1 14 . 1 1 23 23 ARG H H 23 7.830 7.830 7.706 0.124 18978 10448 1 14 . 1 1 24 24 ILE N N 24 116.750 116.750 118.831 -2.081 18978 10449 1 14 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.763 -0.043 18978 10450 1 14 . 1 1 24 24 ILE C C 24 179.090 179.090 177.820 1.270 18978 10451 1 14 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.561 -0.502 18978 10452 1 14 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.972 0.058 18978 10453 1 14 . 1 1 24 24 ILE H H 24 7.350 7.350 7.666 -0.316 18978 10454 1 14 . 1 1 25 25 LYS N N 25 118.700 118.700 118.767 -0.067 18978 10455 1 14 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.072 0.018 18978 10456 1 14 . 1 1 25 25 LYS C C 25 178.560 178.560 177.971 0.589 18978 10457 1 14 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.069 -1.419 18978 10458 1 14 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.786 -0.696 18978 10459 1 14 . 1 1 25 25 LYS H H 25 7.880 7.880 7.712 0.168 18978 10460 1 14 . 1 1 26 26 LEU N N 26 116.380 116.380 119.007 -2.627 18978 10461 1 14 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.207 0.023 18978 10462 1 14 . 1 1 26 26 LEU C C 26 175.880 175.880 177.344 -1.464 18978 10463 1 14 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.713 -1.623 18978 10464 1 14 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.635 0.675 18978 10465 1 14 . 1 1 26 26 LEU H H 26 7.860 7.860 7.668 0.192 18978 10466 1 14 . 1 1 27 27 GLN N N 27 119.210 119.210 117.151 2.059 18978 10467 1 14 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.913 -0.383 18978 10468 1 14 . 1 1 27 27 GLN C C 27 177.480 177.480 177.292 0.188 18978 10469 1 14 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.254 1.117 18978 10470 1 14 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.673 -0.373 18978 10471 1 14 . 1 1 27 27 GLN H H 27 7.190 7.190 7.531 -0.341 18978 10472 1 14 . 1 1 28 28 GLY N N 28 113.490 113.490 112.374 1.116 18978 10473 1 14 . 1 1 28 28 GLY C C 28 174.070 174.070 174.530 -0.460 18978 10474 1 14 . 1 1 28 28 GLY CA C 28 45.280 45.280 45.034 0.246 18978 10475 1 14 . 1 1 28 28 GLY H H 28 8.940 8.940 8.695 0.245 18978 10476 1 14 . 1 1 29 29 LYS N N 29 122.060 122.060 122.319 -0.259 18978 10477 1 14 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.698 -0.298 18978 10478 1 14 . 1 1 29 29 LYS C C 29 175.560 175.560 175.860 -0.300 18978 10479 1 14 . 1 1 29 29 LYS CA C 29 55.660 55.660 54.557 1.103 18978 10480 1 14 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.600 -0.730 18978 10481 1 14 . 1 1 29 29 LYS H H 29 8.350 8.350 7.903 0.447 18978 10482 1 14 . 1 1 30 30 THR N N 30 118.150 118.150 116.825 1.325 18978 10483 1 14 . 1 1 30 30 THR HA H 30 5.330 5.330 4.929 0.401 18978 10484 1 14 . 1 1 30 30 THR C C 30 174.860 174.860 174.453 0.407 18978 10485 1 14 . 1 1 30 30 THR CA C 30 62.040 62.040 61.725 0.315 18978 10486 1 14 . 1 1 30 30 THR CB C 30 69.420 69.420 69.744 -0.324 18978 10487 1 14 . 1 1 30 30 THR H H 30 8.410 8.410 8.329 0.081 18978 10488 1 14 . 1 1 31 31 VAL N N 31 122.510 122.510 120.503 2.007 18978 10489 1 14 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.601 -0.030 18978 10490 1 14 . 1 1 31 31 VAL C C 31 172.970 172.970 173.503 -0.533 18978 10491 1 14 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.705 -0.255 18978 10492 1 14 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.813 1.067 18978 10493 1 14 . 1 1 31 31 VAL H H 31 9.140 9.140 8.916 0.224 18978 10494 1 14 . 1 1 32 32 ARG N N 32 120.640 120.640 122.821 -2.181 18978 10495 1 14 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.773 -0.023 18978 10496 1 14 . 1 1 32 32 ARG C C 32 175.650 175.650 175.002 0.648 18978 10497 1 14 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.397 -0.747 18978 10498 1 14 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.332 -0.462 18978 10499 1 14 . 1 1 32 32 ARG H H 32 8.420 8.420 8.971 -0.551 18978 10500 1 14 . 1 1 33 33 THR N N 33 118.590 118.590 119.142 -0.552 18978 10501 1 14 . 1 1 33 33 THR HA H 33 3.410 3.410 3.785 -0.375 18978 10502 1 14 . 1 1 33 33 THR C C 33 175.020 175.020 175.453 -0.433 18978 10503 1 14 . 1 1 33 33 THR CA C 33 65.660 65.660 65.236 0.425 18978 10504 1 14 . 1 1 33 33 THR CB C 33 69.400 69.400 68.699 0.701 18978 10505 1 14 . 1 1 33 33 THR H H 33 8.370 8.370 8.627 -0.257 18978 10506 1 14 . 1 1 34 34 GLY N N 34 117.350 117.350 115.714 1.636 18978 10507 1 14 . 1 1 34 34 GLY C C 34 174.350 174.350 174.648 -0.298 18978 10508 1 14 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.716 0.284 18978 10509 1 14 . 1 1 34 34 GLY H H 34 9.090 9.090 8.618 0.472 18978 10510 1 14 . 1 1 35 35 ASP N N 35 122.240 122.240 122.507 -0.267 18978 10511 1 14 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.773 -0.303 18978 10512 1 14 . 1 1 35 35 ASP C C 35 174.570 174.570 175.434 -0.864 18978 10513 1 14 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.253 0.317 18978 10514 1 14 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.853 -0.173 18978 10515 1 14 . 1 1 35 35 ASP H H 35 8.010 8.010 7.787 0.223 18978 10516 1 14 . 1 1 36 36 VAL N N 36 119.860 119.860 121.015 -1.155 18978 10517 1 14 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.830 0.120 18978 10518 1 14 . 1 1 36 36 VAL C C 36 176.330 176.330 175.875 0.455 18978 10519 1 14 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.182 0.528 18978 10520 1 14 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.794 -0.894 18978 10521 1 14 . 1 1 36 36 VAL H H 36 8.330 8.330 8.343 -0.013 18978 10522 1 14 . 1 1 37 37 ILE N N 37 124.990 124.990 127.589 -2.599 18978 10523 1 14 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.510 0.120 18978 10524 1 14 . 1 1 37 37 ILE C C 37 174.400 174.400 174.882 -0.482 18978 10525 1 14 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.482 -1.492 18978 10526 1 14 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.332 0.478 18978 10527 1 14 . 1 1 37 37 ILE H H 37 9.160 9.160 8.696 0.464 18978 10528 1 14 . 1 1 38 38 GLY N N 38 112.060 112.060 112.652 -0.592 18978 10529 1 14 . 1 1 38 38 GLY C C 38 172.920 172.920 173.732 -0.812 18978 10530 1 14 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.362 0.218 18978 10531 1 14 . 1 1 38 38 GLY H H 38 8.660 8.660 8.461 0.199 18978 10532 1 14 . 1 1 39 39 ILE N N 39 123.220 123.220 124.309 -1.089 18978 10533 1 14 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.505 -0.135 18978 10534 1 14 . 1 1 39 39 ILE C C 39 174.500 174.500 175.465 -0.965 18978 10535 1 14 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.526 -0.976 18978 10536 1 14 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.709 -0.409 18978 10537 1 14 . 1 1 39 39 ILE H H 39 8.810 8.810 8.412 0.398 18978 10538 1 14 . 1 1 40 40 SER N N 40 121.430 121.430 122.435 -1.005 18978 10539 1 14 . 1 1 40 40 SER HA H 40 4.830 4.830 4.970 -0.140 18978 10540 1 14 . 1 1 40 40 SER C C 40 174.130 174.130 174.029 0.101 18978 10541 1 14 . 1 1 40 40 SER CA C 40 57.770 57.770 57.942 -0.172 18978 10542 1 14 . 1 1 40 40 SER CB C 40 63.040 63.040 63.846 -0.806 18978 10543 1 14 . 1 1 40 40 SER H H 40 8.540 8.540 8.699 -0.159 18978 10544 1 14 . 1 1 41 41 ILE N N 41 127.060 127.060 126.412 0.648 18978 10545 1 14 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.415 -0.125 18978 10546 1 14 . 1 1 41 41 ILE C C 41 175.280 175.280 175.824 -0.544 18978 10547 1 14 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.708 0.542 18978 10548 1 14 . 1 1 41 41 ILE CB C 41 39.840 39.840 38.760 1.080 18978 10549 1 14 . 1 1 41 41 ILE H H 41 8.930 8.930 8.551 0.379 18978 10550 1 14 . 1 1 42 42 LEU N N 42 126.770 126.770 129.482 -2.712 18978 10551 1 14 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.985 -0.095 18978 10552 1 14 . 1 1 42 42 LEU C C 42 177.130 177.130 176.790 0.340 18978 10553 1 14 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.354 0.206 18978 10554 1 14 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.492 -2.122 18978 10555 1 14 . 1 1 42 42 LEU H H 42 9.380 9.380 8.866 0.514 18978 10556 1 14 . 1 1 43 43 GLY N N 43 103.820 103.820 104.352 -0.532 18978 10557 1 14 . 1 1 43 43 GLY C C 43 173.690 173.690 173.676 0.014 18978 10558 1 14 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.016 0.324 18978 10559 1 14 . 1 1 43 43 GLY H H 43 8.310 8.310 8.537 -0.227 18978 10560 1 14 . 1 1 44 44 LYS N N 44 121.160 121.160 120.725 0.435 18978 10561 1 14 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.550 0.010 18978 10562 1 14 . 1 1 44 44 LYS C C 44 174.550 174.550 175.061 -0.511 18978 10563 1 14 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.048 -0.908 18978 10564 1 14 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.652 -0.032 18978 10565 1 14 . 1 1 44 44 LYS H H 44 7.730 7.730 7.611 0.119 18978 10566 1 14 . 1 1 45 45 GLU N N 45 124.090 124.090 126.396 -2.306 18978 10567 1 14 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.479 -0.199 18978 10568 1 14 . 1 1 45 45 GLU C C 45 175.730 175.730 175.699 0.031 18978 10569 1 14 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.116 0.614 18978 10570 1 14 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.700 -0.630 18978 10571 1 14 . 1 1 45 45 GLU H H 45 8.490 8.490 8.710 -0.220 18978 10572 1 14 . 1 1 46 46 VAL N N 46 129.960 129.960 127.150 2.810 18978 10573 1 14 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.395 -0.365 18978 10574 1 14 . 1 1 46 46 VAL C C 46 174.610 174.610 173.882 0.728 18978 10575 1 14 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.293 1.387 18978 10576 1 14 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.095 -0.215 18978 10577 1 14 . 1 1 46 46 VAL H H 46 8.920 8.920 8.531 0.389 18978 10578 1 14 . 1 1 47 47 LYS N N 47 124.790 124.790 127.816 -3.026 18978 10579 1 14 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.881 0.239 18978 10580 1 14 . 1 1 47 47 LYS C C 47 175.380 175.380 175.486 -0.106 18978 10581 1 14 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.288 -0.088 18978 10582 1 14 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.806 0.863 18978 10583 1 14 . 1 1 47 47 LYS H H 47 7.860 7.860 8.477 -0.617 18978 10584 1 14 . 1 1 48 48 PHE N N 48 118.270 118.270 123.896 -5.626 18978 10585 1 14 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.901 0.059 18978 10586 1 14 . 1 1 48 48 PHE C C 48 173.950 173.950 174.761 -0.811 18978 10587 1 14 . 1 1 48 48 PHE CA C 48 55.910 55.910 57.023 -1.113 18978 10588 1 14 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.758 1.192 18978 10589 1 14 . 1 1 48 48 PHE H H 48 9.270 9.270 8.848 0.422 18978 10590 1 14 . 1 1 49 49 LYS N N 49 121.960 121.960 123.335 -1.375 18978 10591 1 14 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.900 0.010 18978 10592 1 14 . 1 1 49 49 LYS C C 49 176.230 176.230 175.539 0.691 18978 10593 1 14 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.615 -0.705 18978 10594 1 14 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.126 -0.956 18978 10595 1 14 . 1 1 49 49 LYS H H 49 9.170 9.170 8.561 0.609 18978 10596 1 14 . 1 1 50 50 VAL N N 50 127.140 127.140 127.305 -0.165 18978 10597 1 14 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.032 0.138 18978 10598 1 14 . 1 1 50 50 VAL C C 50 175.500 175.500 176.387 -0.887 18978 10599 1 14 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.301 -1.321 18978 10600 1 14 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.126 -1.636 18978 10601 1 14 . 1 1 50 50 VAL H H 50 9.400 9.400 8.341 1.059 18978 10602 1 14 . 1 1 51 51 VAL N N 51 132.840 132.840 130.030 2.810 18978 10603 1 14 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.915 -0.265 18978 10604 1 14 . 1 1 51 51 VAL C C 51 176.440 176.440 176.144 0.296 18978 10605 1 14 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.075 -0.145 18978 10606 1 14 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.032 0.098 18978 10607 1 14 . 1 1 51 51 VAL H H 51 8.390 8.390 8.462 -0.072 18978 10608 1 14 . 1 1 52 52 GLN N N 52 114.500 114.500 115.035 -0.535 18978 10609 1 14 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.566 -0.296 18978 10610 1 14 . 1 1 52 52 GLN C C 52 172.290 172.290 173.396 -1.106 18978 10611 1 14 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.818 0.822 18978 10612 1 14 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.391 0.240 18978 10613 1 14 . 1 1 52 52 GLN H H 52 7.470 7.470 7.560 -0.090 18978 10614 1 14 . 1 1 53 53 ALA N N 53 131.410 131.410 127.609 3.801 18978 10615 1 14 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.901 -0.071 18978 10616 1 14 . 1 1 53 53 ALA C C 53 174.270 174.270 174.958 -0.688 18978 10617 1 14 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.362 0.438 18978 10618 1 14 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.273 -2.173 18978 10619 1 14 . 1 1 53 53 ALA H H 53 8.200 8.200 8.780 -0.580 18978 10620 1 14 . 1 1 54 54 TYR N N 54 124.140 124.140 123.331 0.809 18978 10621 1 14 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.996 -0.456 18978 10622 1 14 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.334 -1.064 18978 10623 1 14 . 1 1 54 54 TYR CB C 54 41.360 41.360 41.815 -0.455 18978 10624 1 14 . 1 1 54 54 TYR H H 54 8.860 8.860 8.559 0.301 18978 10625 1 14 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.370 -0.250 18978 10626 1 14 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.320 1.130 18978 10627 1 14 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.702 1.468 18978 10628 1 14 . 1 1 56 56 SER N N 56 106.200 106.200 115.048 -8.848 18978 10629 1 14 . 1 1 56 56 SER HA H 56 4.720 4.720 4.752 -0.032 18978 10630 1 14 . 1 1 56 56 SER CA C 56 54.250 54.250 56.086 -1.836 18978 10631 1 14 . 1 1 56 56 SER CB C 56 64.530 64.530 64.287 0.243 18978 10632 1 14 . 1 1 56 56 SER H H 56 7.380 7.380 8.244 -0.864 18978 10633 1 14 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.431 0.449 18978 10634 1 14 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.482 0.508 18978 10635 1 14 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.445 2.775 18978 10636 1 14 . 1 1 58 58 LEU N N 58 120.480 120.480 121.788 -1.308 18978 10637 1 14 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.683 -0.253 18978 10638 1 14 . 1 1 58 58 LEU C C 58 174.570 174.570 174.922 -0.352 18978 10639 1 14 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.074 -0.174 18978 10640 1 14 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.237 -2.027 18978 10641 1 14 . 1 1 58 58 LEU H H 58 8.960 8.960 8.385 0.575 18978 10642 1 14 . 1 1 59 59 ARG N N 59 125.180 125.180 125.461 -0.281 18978 10643 1 14 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.445 0.485 18978 10644 1 14 . 1 1 59 59 ARG C C 59 175.460 175.460 175.392 0.068 18978 10645 1 14 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.382 -1.342 18978 10646 1 14 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.165 -0.615 18978 10647 1 14 . 1 1 59 59 ARG H H 59 8.130 8.130 8.557 -0.427 18978 10648 1 14 . 1 1 60 60 VAL N N 60 128.170 128.170 128.497 -0.327 18978 10649 1 14 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.979 -0.569 18978 10650 1 14 . 1 1 60 60 VAL C C 60 175.460 175.460 174.758 0.702 18978 10651 1 14 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.591 1.619 18978 10652 1 14 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.757 -1.917 18978 10653 1 14 . 1 1 60 60 VAL H H 60 8.450 8.450 8.323 0.127 18978 10654 1 14 . 1 1 61 61 GLU N N 61 127.670 127.670 127.046 0.624 18978 10655 1 14 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.653 0.217 18978 10656 1 14 . 1 1 61 61 GLU C C 61 176.960 176.960 176.695 0.265 18978 10657 1 14 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.509 -0.179 18978 10658 1 14 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.622 -0.342 18978 10659 1 14 . 1 1 61 61 GLU H H 61 8.620 8.620 7.749 0.871 18978 10660 1 14 . 1 1 62 62 ASP N N 62 121.140 121.140 122.414 -1.274 18978 10661 1 14 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.290 -0.140 18978 10662 1 14 . 1 1 62 62 ASP C C 62 177.460 177.460 177.448 0.012 18978 10663 1 14 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.474 0.146 18978 10664 1 14 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.716 -0.356 18978 10665 1 14 . 1 1 62 62 ASP H H 62 8.700 8.700 8.837 -0.137 18978 10666 1 14 . 1 1 63 63 ARG N N 63 112.890 112.890 116.900 -4.010 18978 10667 1 14 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.181 0.099 18978 10668 1 14 . 1 1 63 63 ARG C C 63 176.510 176.510 177.119 -0.609 18978 10669 1 14 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.880 -1.430 18978 10670 1 14 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.539 -0.549 18978 10671 1 14 . 1 1 63 63 ARG H H 63 7.760 7.760 7.961 -0.201 18978 10672 1 14 . 1 1 64 64 THR N N 64 120.650 120.650 116.097 4.553 18978 10673 1 14 . 1 1 64 64 THR HA H 64 4.020 4.020 4.345 -0.325 18978 10674 1 14 . 1 1 64 64 THR C C 64 173.810 173.810 174.120 -0.310 18978 10675 1 14 . 1 1 64 64 THR CA C 64 64.060 64.060 63.243 0.817 18978 10676 1 14 . 1 1 64 64 THR CB C 64 69.350 69.350 69.848 -0.498 18978 10677 1 14 . 1 1 64 64 THR H H 64 7.700 7.700 7.603 0.097 18978 10678 1 14 . 1 1 65 65 LYS N N 65 130.950 130.950 126.596 4.354 18978 10679 1 14 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.514 -0.244 18978 10680 1 14 . 1 1 65 65 LYS C C 65 174.560 174.560 175.262 -0.702 18978 10681 1 14 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.053 0.227 18978 10682 1 14 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.910 -0.790 18978 10683 1 14 . 1 1 65 65 LYS H H 65 8.520 8.520 8.229 0.291 18978 10684 1 14 . 1 1 66 66 ILE N N 66 128.020 128.020 124.344 3.676 18978 10685 1 14 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.781 0.069 18978 10686 1 14 . 1 1 66 66 ILE C C 66 174.650 174.650 176.096 -1.446 18978 10687 1 14 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.263 -0.443 18978 10688 1 14 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.236 -1.956 18978 10689 1 14 . 1 1 66 66 ILE H H 66 8.430 8.430 8.503 -0.073 18978 10690 1 14 . 1 1 67 67 THR N N 67 123.870 123.870 123.457 0.413 18978 10691 1 14 . 1 1 67 67 THR HA H 67 4.470 4.470 4.749 -0.279 18978 10692 1 14 . 1 1 67 67 THR C C 67 172.760 172.760 172.626 0.134 18978 10693 1 14 . 1 1 67 67 THR CA C 67 60.740 60.740 61.580 -0.840 18978 10694 1 14 . 1 1 67 67 THR CB C 67 71.320 71.320 71.531 -0.211 18978 10695 1 14 . 1 1 67 67 THR H H 67 8.870 8.870 8.479 0.391 18978 10696 1 14 . 1 1 68 68 LEU N N 68 127.070 127.070 127.795 -0.725 18978 10697 1 14 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.035 0.105 18978 10698 1 14 . 1 1 68 68 LEU C C 68 176.610 176.610 176.080 0.530 18978 10699 1 14 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.191 -0.911 18978 10700 1 14 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.614 -1.014 18978 10701 1 14 . 1 1 68 68 LEU H H 68 8.820 8.820 8.643 0.177 18978 10702 1 14 . 1 1 69 69 VAL N N 69 124.120 124.120 127.407 -3.287 18978 10703 1 14 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.306 -0.046 18978 10704 1 14 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.620 -1.270 18978 10705 1 14 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.096 0.694 18978 10706 1 14 . 1 1 69 69 VAL H H 69 8.800 8.800 8.539 0.261 18978 10707 1 14 . 1 1 70 70 THR N N 70 114.500 114.500 120.524 -6.024 18978 10708 1 14 . 1 1 70 70 THR HA H 70 4.410 4.410 4.392 0.018 18978 10709 1 14 . 1 1 70 70 THR CA C 70 60.800 60.800 61.736 -0.936 18978 10710 1 14 . 1 1 70 70 THR CB C 70 69.650 69.650 69.447 0.203 18978 10711 1 14 . 1 1 70 70 THR H H 70 8.160 8.160 8.640 -0.480 18978 10712 1 14 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.435 -0.505 18978 10713 1 14 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.966 0.554 18978 10714 1 14 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.080 2.060 18978 10715 1 14 . 1 1 73 73 VAL N N 73 117.500 117.500 115.313 2.187 18978 10716 1 14 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.406 0.114 18978 10717 1 14 . 1 1 73 73 VAL C C 73 174.100 174.100 174.331 -0.231 18978 10718 1 14 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.105 0.905 18978 10719 1 14 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.527 -1.197 18978 10720 1 14 . 1 1 73 73 VAL H H 73 7.410 7.410 7.325 0.085 18978 10721 1 14 . 1 1 74 74 ASP N N 74 124.500 124.500 121.711 2.789 18978 10722 1 14 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.812 0.098 18978 10723 1 14 . 1 1 74 74 ASP C C 74 174.000 174.000 175.408 -1.408 18978 10724 1 14 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.731 -0.281 18978 10725 1 14 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.214 2.136 18978 10726 1 14 . 1 1 74 74 ASP H H 74 8.290 8.290 8.373 -0.083 18978 10727 1 14 . 1 1 75 75 VAL N N 75 122.400 122.400 123.944 -1.544 18978 10728 1 14 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.276 0.414 18978 10729 1 14 . 1 1 75 75 VAL C C 75 174.600 174.600 175.210 -0.610 18978 10730 1 14 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.576 -0.376 18978 10731 1 14 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.736 0.594 18978 10732 1 14 . 1 1 75 75 VAL H H 75 7.780 7.780 8.350 -0.570 18978 10733 1 14 . 1 1 76 76 LEU N N 76 130.300 130.300 127.321 2.979 18978 10734 1 14 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.679 0.041 18978 10735 1 14 . 1 1 76 76 LEU C C 76 174.400 174.400 175.921 -1.521 18978 10736 1 14 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.091 -0.461 18978 10737 1 14 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.497 1.463 18978 10738 1 14 . 1 1 76 76 LEU H H 76 9.200 9.200 8.367 0.833 18978 10739 1 14 . 1 1 77 77 GLU N N 77 118.600 118.600 123.129 -4.529 18978 10740 1 14 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.468 0.852 18978 10741 1 14 . 1 1 77 77 GLU C C 77 174.900 174.900 174.855 0.045 18978 10742 1 14 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.869 -1.779 18978 10743 1 14 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.940 2.260 18978 10744 1 14 . 1 1 77 77 GLU H H 77 8.010 8.010 8.488 -0.478 18978 10745 1 14 . 1 1 78 78 ALA N N 78 124.500 124.500 125.247 -0.747 18978 10746 1 14 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.539 0.101 18978 10747 1 14 . 1 1 78 78 ALA C C 78 175.500 175.500 176.735 -1.235 18978 10748 1 14 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.553 -0.873 18978 10749 1 14 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.489 0.321 18978 10750 1 14 . 1 1 78 78 ALA H H 78 8.800 8.800 8.223 0.577 18978 10751 1 14 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.343 0.137 18978 10752 1 14 . 1 1 79 79 LYS C C 79 174.700 174.700 175.614 -0.914 18978 10753 1 14 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.341 -0.241 18978 10754 1 14 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.806 -1.865 18978 10755 1 14 . 1 1 80 80 ILE N N 80 127.300 127.300 124.168 3.132 18978 10756 1 14 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.246 -0.166 18978 10757 1 14 . 1 1 80 80 ILE C C 80 172.700 172.700 175.042 -2.342 18978 10758 1 14 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.240 -0.300 18978 10759 1 14 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.821 2.109 18978 10760 1 14 . 1 1 80 80 ILE H H 80 7.380 7.380 8.464 -1.084 18978 10761 1 14 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.556 -0.276 18978 10762 1 14 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.819 0.301 18978 10763 1 14 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.995 -0.245 18978 10764 1 14 . 1 1 82 82 GLY N N 82 113.000 113.000 112.352 0.648 18978 10765 1 14 . 1 1 82 82 GLY C C 82 174.600 174.600 174.171 0.429 18978 10766 1 14 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.624 2.245 18978 10767 1 14 . 1 1 82 82 GLY H H 82 8.210 8.210 8.737 -0.527 18978 10768 1 14 . 1 1 83 83 ILE N N 83 121.200 121.200 119.132 2.068 18978 10769 1 14 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.863 -0.523 18978 10770 1 14 . 1 1 83 83 ILE C C 83 175.000 175.000 176.380 -1.380 18978 10771 1 14 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.171 2.539 18978 10772 1 14 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.886 -0.396 18978 10773 1 14 . 1 1 83 83 ILE H H 83 8.350 8.350 8.111 0.239 18978 10774 1 14 . 1 1 84 84 LYS N N 84 129.400 129.400 129.352 0.048 18978 10775 1 14 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.358 0.132 18978 10776 1 14 . 1 1 84 84 LYS C C 84 175.000 175.000 176.170 -1.170 18978 10777 1 14 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.913 -0.842 18978 10778 1 14 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.359 0.131 18978 10779 1 14 . 1 1 84 84 LYS H H 84 9.160 9.160 8.740 0.420 18978 10780 1 14 . 1 1 85 85 ASP N N 85 117.500 117.500 117.528 -0.028 18978 10781 1 14 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.918 -0.138 18978 10782 1 14 . 1 1 85 85 ASP C C 85 173.200 173.200 173.721 -0.521 18978 10783 1 14 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.966 -0.876 18978 10784 1 14 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.359 -0.869 18978 10785 1 14 . 1 1 85 85 ASP H H 85 7.990 7.990 7.803 0.187 18978 10786 1 14 . 1 1 86 86 VAL N N 86 119.400 119.400 121.699 -2.299 18978 10787 1 14 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.520 0.650 18978 10788 1 14 . 1 1 86 86 VAL C C 86 172.500 172.500 175.220 -2.720 18978 10789 1 14 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.252 -1.502 18978 10790 1 14 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.185 0.975 18978 10791 1 14 . 1 1 86 86 VAL H H 86 8.210 8.210 8.511 -0.301 18978 10792 1 14 . 1 1 87 87 ILE N N 87 127.100 127.100 128.166 -1.066 18978 10793 1 14 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.444 -0.234 18978 10794 1 14 . 1 1 87 87 ILE C C 87 173.600 173.600 174.389 -0.789 18978 10795 1 14 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.343 0.128 18978 10796 1 14 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.336 1.154 18978 10797 1 14 . 1 1 87 87 ILE H H 87 9.190 9.190 8.781 0.409 18978 10798 1 14 . 1 1 88 88 LEU N N 88 125.700 125.700 129.190 -3.490 18978 10799 1 14 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.722 0.318 18978 10800 1 14 . 1 1 88 88 LEU C C 88 174.500 174.500 175.148 -0.648 18978 10801 1 14 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.184 -1.244 18978 10802 1 14 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.387 -0.877 18978 10803 1 14 . 1 1 88 88 LEU H H 88 7.840 7.840 8.439 -0.599 18978 10804 1 14 . 1 1 89 89 ASP N N 89 127.800 127.800 126.000 1.800 18978 10805 1 14 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.002 -0.232 18978 10806 1 14 . 1 1 89 89 ASP C C 89 174.100 174.100 176.637 -2.537 18978 10807 1 14 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.234 0.386 18978 10808 1 14 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.583 -0.513 18978 10809 1 14 . 1 1 89 89 ASP H H 89 8.280 8.280 8.720 -0.440 18978 10810 1 14 . 1 1 90 90 GLU N N 90 122.400 122.400 123.120 -0.720 18978 10811 1 14 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.090 -0.240 18978 10812 1 14 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.360 -0.530 18978 10813 1 14 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.846 -0.436 18978 10814 1 14 . 1 1 90 90 GLU H H 90 8.980 8.980 8.781 0.199 18978 10815 1 14 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.924 -0.644 18978 10816 1 14 . 1 1 91 91 ASN C C 91 173.600 173.600 173.922 -0.322 18978 10817 1 14 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.706 1.454 18978 10818 1 14 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.040 -0.140 18978 10819 1 14 . 1 1 92 92 LEU N N 92 117.400 117.400 120.467 -3.067 18978 10820 1 14 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.623 0.407 18978 10821 1 14 . 1 1 92 92 LEU C C 92 174.700 174.700 173.805 0.895 18978 10822 1 14 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.492 -1.792 18978 10823 1 14 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.148 1.102 18978 10824 1 14 . 1 1 92 92 LEU H H 92 7.110 7.110 7.862 -0.752 18978 10825 1 14 . 1 1 93 93 ILE N N 93 121.300 121.300 122.843 -1.543 18978 10826 1 14 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.543 -0.093 18978 10827 1 14 . 1 1 93 93 ILE C C 93 174.000 174.000 174.203 -0.203 18978 10828 1 14 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.642 0.327 18978 10829 1 14 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.980 -0.350 18978 10830 1 14 . 1 1 93 93 ILE H H 93 8.450 8.450 8.515 -0.065 18978 10831 1 14 . 1 1 94 94 VAL N N 94 128.000 128.000 127.677 0.323 18978 10832 1 14 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.861 -0.021 18978 10833 1 14 . 1 1 94 94 VAL C C 94 174.000 174.000 174.521 -0.521 18978 10834 1 14 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.084 0.015 18978 10835 1 14 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.944 -1.824 18978 10836 1 14 . 1 1 94 94 VAL H H 94 8.970 8.970 8.458 0.512 18978 10837 1 14 . 1 1 95 95 VAL N N 95 127.700 127.700 126.792 0.908 18978 10838 1 14 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.622 0.048 18978 10839 1 14 . 1 1 95 95 VAL C C 95 173.300 173.300 174.599 -1.299 18978 10840 1 14 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.979 -0.139 18978 10841 1 14 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.929 -0.689 18978 10842 1 14 . 1 1 95 95 VAL H H 95 9.420 9.420 8.612 0.808 18978 10843 1 14 . 1 1 96 96 ILE N N 96 126.000 126.000 127.409 -1.409 18978 10844 1 14 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.958 0.262 18978 10845 1 14 . 1 1 96 96 ILE C C 96 177.100 177.100 175.717 1.383 18978 10846 1 14 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.821 -0.251 18978 10847 1 14 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.438 0.312 18978 10848 1 14 . 1 1 96 96 ILE H H 96 8.460 8.460 8.786 -0.326 18978 10849 1 14 . 1 1 97 97 THR N N 97 118.100 118.100 118.288 -0.188 18978 10850 1 14 . 1 1 97 97 THR HA H 97 5.250 5.250 4.871 0.379 18978 10851 1 14 . 1 1 97 97 THR C C 97 176.300 176.300 175.747 0.553 18978 10852 1 14 . 1 1 97 97 THR CA C 97 59.650 59.650 59.781 -0.131 18978 10853 1 14 . 1 1 97 97 THR CB C 97 71.890 71.890 71.301 0.589 18978 10854 1 14 . 1 1 97 97 THR H H 97 9.050 9.050 8.438 0.612 18978 10855 1 14 . 1 1 98 98 GLU N N 98 120.100 120.100 123.252 -3.152 18978 10856 1 14 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.957 0.163 18978 10857 1 14 . 1 1 98 98 GLU C C 98 176.200 176.200 177.538 -1.338 18978 10858 1 14 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.097 -1.207 18978 10859 1 14 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.721 -0.191 18978 10860 1 14 . 1 1 98 98 GLU H H 98 9.220 9.220 8.255 0.965 18978 10861 1 14 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.301 -0.151 18978 10862 1 14 . 1 1 99 99 GLU C C 99 174.200 174.200 175.913 -1.713 18978 10863 1 14 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.132 2.078 18978 10864 1 14 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.728 1.142 18978 10865 1 14 . 1 1 100 100 ASN N N 100 113.200 113.200 114.671 -1.471 18978 10866 1 14 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.417 -0.307 18978 10867 1 14 . 1 1 100 100 ASN C C 100 173.700 173.700 173.438 0.262 18978 10868 1 14 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.467 -0.067 18978 10869 1 14 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.335 -0.475 18978 10870 1 14 . 1 1 100 100 ASN H H 100 8.020 8.020 8.050 -0.030 18978 10871 1 14 . 1 1 101 101 GLU N N 101 115.500 115.500 118.104 -2.604 18978 10872 1 14 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.770 0.380 18978 10873 1 14 . 1 1 101 101 GLU C C 101 174.900 174.900 174.275 0.625 18978 10874 1 14 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.079 -0.029 18978 10875 1 14 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.275 -1.875 18978 10876 1 14 . 1 1 101 101 GLU H H 101 7.230 7.230 7.390 -0.160 18978 10877 1 14 . 1 1 102 102 VAL N N 102 122.700 122.700 123.959 -1.259 18978 10878 1 14 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.700 0.220 18978 10879 1 14 . 1 1 102 102 VAL C C 102 173.700 173.700 174.343 -0.643 18978 10880 1 14 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.007 -0.087 18978 10881 1 14 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.400 0.410 18978 10882 1 14 . 1 1 102 102 VAL H H 102 8.710 8.710 8.785 -0.075 18978 10883 1 14 . 1 1 103 103 LEU N N 103 127.300 127.300 128.192 -0.892 18978 10884 1 14 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.933 -0.633 18978 10885 1 14 . 1 1 103 103 LEU C C 103 174.500 174.500 175.380 -0.880 18978 10886 1 14 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.680 0.140 18978 10887 1 14 . 1 1 103 103 LEU H H 103 9.140 9.140 8.468 0.672 18978 10888 1 14 . 1 1 104 104 ILE N N 104 122.200 122.200 121.629 0.571 18978 10889 1 14 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.718 0.022 18978 10890 1 14 . 1 1 104 104 ILE C C 104 173.600 173.600 174.532 -0.932 18978 10891 1 14 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.380 -0.160 18978 10892 1 14 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.734 -0.584 18978 10893 1 14 . 1 1 104 104 ILE H H 104 8.470 8.470 8.223 0.247 18978 10894 1 14 . 1 1 105 105 PHE N N 105 126.600 126.600 125.251 1.349 18978 10895 1 14 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.742 -0.172 18978 10896 1 14 . 1 1 105 105 PHE C C 105 175.800 175.800 175.296 0.504 18978 10897 1 14 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.791 -0.341 18978 10898 1 14 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.629 1.041 18978 10899 1 14 . 1 1 105 105 PHE H H 105 9.330 9.330 9.115 0.215 18978 10900 1 14 . 1 1 106 106 ASN N N 106 116.000 116.000 118.540 -2.540 18978 10901 1 14 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.034 0.436 18978 10902 1 14 . 1 1 106 106 ASN C C 106 176.700 176.700 176.914 -0.214 18978 10903 1 14 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.156 -0.656 18978 10904 1 14 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.531 -0.931 18978 10905 1 14 . 1 1 106 106 ASN H H 106 7.710 7.710 8.278 -0.568 18978 10906 1 14 . 1 1 107 107 GLN N N 107 114.500 114.500 119.249 -4.749 18978 10907 1 14 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.110 -0.220 18978 10908 1 14 . 1 1 107 107 GLN C C 107 173.700 173.700 176.581 -2.881 18978 10909 1 14 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.576 -1.066 18978 10910 1 14 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.720 -1.630 18978 10911 1 14 . 1 1 107 107 GLN H H 107 8.040 8.040 8.765 -0.725 18978 10912 1 14 . 1 1 108 108 ASN N N 108 115.800 115.800 115.610 0.190 18978 10913 1 14 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.628 0.042 18978 10914 1 14 . 1 1 108 108 ASN C C 108 173.600 173.600 174.966 -1.366 18978 10915 1 14 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.094 -1.004 18978 10916 1 14 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.641 0.219 18978 10917 1 14 . 1 1 108 108 ASN H H 108 7.440 7.440 8.234 -0.794 18978 10918 1 14 . 1 1 109 109 LEU N N 109 115.200 115.200 119.183 -3.983 18978 10919 1 14 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.844 -0.314 18978 10920 1 14 . 1 1 109 109 LEU C C 109 174.700 174.700 175.133 -0.433 18978 10921 1 14 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.099 -0.329 18978 10922 1 14 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.244 -1.544 18978 10923 1 14 . 1 1 109 109 LEU H H 109 8.220 8.220 7.699 0.521 18978 10924 1 14 . 1 1 110 110 GLU N N 110 117.600 117.600 118.858 -1.258 18978 10925 1 14 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.711 -0.291 18978 10926 1 14 . 1 1 110 110 GLU C C 110 175.800 175.800 175.667 0.133 18978 10927 1 14 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.659 0.521 18978 10928 1 14 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.755 -2.935 18978 10929 1 14 . 1 1 110 110 GLU H H 110 7.550 7.550 8.187 -0.637 18978 10930 1 14 . 1 1 111 111 GLU N N 111 125.900 125.900 122.273 3.627 18978 10931 1 14 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.182 -0.352 18978 10932 1 14 . 1 1 111 111 GLU C C 111 175.400 175.400 176.167 -0.767 18978 10933 1 14 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.768 -0.128 18978 10934 1 14 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.418 1.202 18978 10935 1 14 . 1 1 111 111 GLU H H 111 8.350 8.350 8.856 -0.506 18978 10936 1 14 . 1 1 112 112 LEU N N 112 128.000 128.000 128.131 -0.131 18978 10937 1 14 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.472 -0.202 18978 10938 1 14 . 1 1 112 112 LEU C C 112 176.100 176.100 176.514 -0.414 18978 10939 1 14 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.484 -0.454 18978 10940 1 14 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.963 -1.193 18978 10941 1 14 . 1 1 112 112 LEU H H 112 9.110 9.110 8.307 0.803 18978 10942 1 14 . 1 1 113 113 TYR N N 113 116.300 116.300 119.354 -3.054 18978 10943 1 14 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.640 -0.310 18978 10944 1 14 . 1 1 113 113 TYR C C 113 171.700 171.700 172.988 -1.288 18978 10945 1 14 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.251 0.709 18978 10946 1 14 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.282 -0.562 18978 10947 1 14 . 1 1 113 113 TYR H H 113 7.250 7.250 7.437 -0.187 18978 10948 1 14 . 1 1 114 114 ARG N N 114 126.200 126.200 127.154 -0.954 18978 10949 1 14 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.804 0.216 18978 10950 1 14 . 1 1 114 114 ARG C C 114 173.500 173.500 174.370 -0.870 18978 10951 1 14 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.772 -0.152 18978 10952 1 14 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.283 1.167 18978 10953 1 14 . 1 1 114 114 ARG H H 114 6.560 6.560 8.017 -1.457 18978 10954 1 14 . 1 1 115 115 GLY N N 115 111.300 111.300 113.053 -1.753 18978 10955 1 14 . 1 1 115 115 GLY C C 115 178.100 178.100 171.216 6.884 18978 10956 1 14 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.480 -0.070 18978 10957 1 14 . 1 1 115 115 GLY H H 115 8.320 8.320 8.233 0.087 18978 10958 1 14 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.452 0.318 18978 10959 1 14 . 1 1 116 116 LYS C C 116 174.400 174.400 174.633 -0.233 18978 10960 1 14 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.153 0.037 18978 10961 1 14 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.142 -0.802 18978 10962 1 14 . 1 1 117 117 PHE N N 117 125.800 125.800 123.305 2.495 18978 10963 1 14 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.852 -0.302 18978 10964 1 14 . 1 1 117 117 PHE C C 117 174.000 174.000 176.505 -2.505 18978 10965 1 14 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.803 0.047 18978 10966 1 14 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.774 0.386 18978 10967 1 14 . 1 1 117 117 PHE H H 117 8.090 8.090 8.411 -0.321 18978 10968 1 14 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.840 -0.180 18978 10969 1 14 . 1 1 119 119 ASN C C 119 173.500 173.500 174.549 -1.049 18978 10970 1 14 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.474 0.006 18978 10971 1 14 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.033 0.157 18978 10972 1 14 . 1 1 120 120 LEU N N 120 120.200 120.200 122.387 -2.187 18978 10973 1 14 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.156 -0.326 18978 10974 1 14 . 1 1 120 120 LEU C C 120 175.000 175.000 176.310 -1.310 18978 10975 1 14 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.118 0.152 18978 10976 1 14 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.257 0.513 18978 10977 1 14 . 1 1 120 120 LEU H H 120 6.900 6.900 7.693 -0.793 18978 10978 1 14 . 1 1 121 121 ASN N N 121 124.200 124.200 124.626 -0.426 18978 10979 1 14 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.865 0.025 18978 10980 1 14 . 1 1 121 121 ASN C C 121 174.300 174.300 175.433 -1.133 18978 10981 1 14 . 1 1 121 121 ASN CA C 121 53.880 53.880 53.866 0.014 18978 10982 1 14 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.403 0.037 18978 10983 1 14 . 1 1 121 121 ASN H H 121 8.900 8.900 8.612 0.288 18978 10984 1 14 . 1 1 122 122 LYS N N 122 115.100 115.100 119.804 -4.704 18978 10985 1 14 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.635 -0.165 18978 10986 1 14 . 1 1 122 122 LYS C C 122 172.500 172.500 174.069 -1.569 18978 10987 1 14 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.604 0.096 18978 10988 1 14 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.792 -1.132 18978 10989 1 14 . 1 1 122 122 LYS H H 122 7.410 7.410 7.784 -0.374 18978 10990 1 14 . 1 1 123 123 VAL N N 123 121.500 121.500 121.997 -0.497 18978 10991 1 14 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.371 0.449 18978 10992 1 14 . 1 1 123 123 VAL C C 123 173.400 173.400 175.063 -1.663 18978 10993 1 14 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.412 -0.722 18978 10994 1 14 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.312 0.838 18978 10995 1 14 . 1 1 123 123 VAL H H 123 7.730 7.730 8.409 -0.679 18978 10996 1 14 . 1 1 124 124 LEU N N 124 126.600 126.600 130.855 -4.255 18978 10997 1 14 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.807 -0.087 18978 10998 1 14 . 1 1 124 124 LEU C C 124 174.200 174.200 174.797 -0.597 18978 10999 1 14 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.310 -0.930 18978 11000 1 14 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.330 0.780 18978 11001 1 14 . 1 1 124 124 LEU H H 124 9.060 9.060 8.455 0.605 18978 11002 1 14 . 1 1 125 125 VAL N N 125 120.300 120.300 122.933 -2.633 18978 11003 1 14 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.552 0.118 18978 11004 1 14 . 1 1 125 125 VAL C C 125 174.700 174.700 174.547 0.153 18978 11005 1 14 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.871 -0.581 18978 11006 1 14 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.669 -0.419 18978 11007 1 14 . 1 1 125 125 VAL H H 125 8.030 8.030 8.459 -0.429 18978 11008 1 14 . 1 1 126 126 ARG N N 126 127.100 127.100 128.681 -1.581 18978 11009 1 14 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.735 -0.265 18978 11010 1 14 . 1 1 126 126 ARG C C 126 174.400 174.400 175.460 -1.060 18978 11011 1 14 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.972 0.858 18978 11012 1 14 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.902 -1.602 18978 11013 1 14 . 1 1 126 126 ARG H H 126 8.630 8.630 8.423 0.207 18978 11014 1 14 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.433 -0.143 18978 11015 1 14 . 1 1 127 127 ASN C C 127 172.600 172.600 174.411 -1.811 18978 11016 1 14 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.143 -0.083 18978 11017 1 14 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.733 -0.783 18978 11018 1 14 . 1 1 128 128 ASP N N 128 117.600 117.600 119.333 -1.733 18978 11019 1 14 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.715 -0.265 18978 11020 1 14 . 1 1 128 128 ASP C C 128 174.000 174.000 175.429 -1.429 18978 11021 1 14 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.911 -0.391 18978 11022 1 14 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.802 -1.992 18978 11023 1 14 . 1 1 128 128 ASP H H 128 8.560 8.560 8.251 0.309 18978 11024 1 14 . 1 1 129 129 LEU N N 129 121.500 121.500 120.699 0.801 18978 11025 1 14 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.628 0.442 18978 11026 1 14 . 1 1 129 129 LEU C C 129 174.800 174.800 175.022 -0.222 18978 11027 1 14 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.300 -0.500 18978 11028 1 14 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.168 0.952 18978 11029 1 14 . 1 1 129 129 LEU H H 129 7.730 7.730 7.811 -0.081 18978 11030 1 14 . 1 1 130 130 VAL N N 130 120.600 120.600 121.989 -1.389 18978 11031 1 14 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.542 0.168 18978 11032 1 14 . 1 1 130 130 VAL C C 130 173.500 173.500 174.388 -0.888 18978 11033 1 14 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.058 -0.538 18978 11034 1 14 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.641 -0.891 18978 11035 1 14 . 1 1 130 130 VAL H H 130 8.410 8.410 7.959 0.451 18978 11036 1 14 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.811 -0.211 18978 11037 1 14 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.522 0.068 18978 11038 1 14 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.502 -1.642 18978 11039 1 14 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.330 -0.030 18978 11040 1 14 . 1 1 132 132 ILE C C 132 174.900 174.900 174.445 0.455 18978 11041 1 14 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.364 0.116 18978 11042 1 14 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.173 -0.123 18978 11043 1 14 . 1 1 133 133 ILE N N 133 126.200 126.200 127.406 -1.206 18978 11044 1 14 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.425 0.245 18978 11045 1 14 . 1 1 133 133 ILE C C 133 174.200 174.200 174.163 0.037 18978 11046 1 14 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.571 1.359 18978 11047 1 14 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.541 1.579 18978 11048 1 14 . 1 1 133 133 ILE H H 133 8.490 8.490 8.470 0.020 18978 11049 1 14 . 1 1 134 134 ASP N N 134 130.100 130.100 125.660 4.440 18978 11050 1 14 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.205 -0.255 18978 11051 1 14 . 1 1 134 134 ASP C C 134 174.600 174.600 176.672 -2.072 18978 11052 1 14 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.891 0.499 18978 11053 1 14 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.117 -0.747 18978 11054 1 14 . 1 1 134 134 ASP H H 134 8.360 8.360 8.110 0.250 18978 11055 1 14 . 1 1 135 135 GLU N N 135 118.000 118.000 121.263 -3.263 18978 11056 1 14 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.952 0.258 18978 11057 1 14 . 1 1 135 135 GLU C C 135 176.200 176.200 177.564 -1.364 18978 11058 1 14 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.130 -0.380 18978 11059 1 14 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.633 0.657 18978 11060 1 14 . 1 1 135 135 GLU H H 135 7.840 7.840 8.524 -0.684 18978 11061 1 14 . 1 1 136 136 GLN N N 136 115.200 115.200 116.034 -0.834 18978 11062 1 14 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.237 0.633 18978 11063 1 14 . 1 1 136 136 GLN C C 136 174.900 174.900 175.857 -0.957 18978 11064 1 14 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.962 -1.462 18978 11065 1 14 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.848 1.083 18978 11066 1 14 . 1 1 136 136 GLN H H 136 8.860 8.860 8.265 0.595 18978 11067 1 14 . 1 1 137 137 LYS N N 137 118.100 118.100 115.025 3.075 18978 11068 1 14 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.502 0.408 18978 11069 1 14 . 1 1 137 137 LYS C C 137 172.400 172.400 173.681 -1.281 18978 11070 1 14 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.213 0.687 18978 11071 1 14 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.934 0.606 18978 11072 1 14 . 1 1 137 137 LYS H H 137 8.260 8.260 8.033 0.227 18978 11073 1 14 . 1 1 138 138 LEU N N 138 123.500 123.500 122.154 1.346 18978 11074 1 14 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.786 0.074 18978 11075 1 14 . 1 1 138 138 LEU C C 138 174.400 174.400 176.100 -1.700 18978 11076 1 14 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.811 -0.301 18978 11077 1 14 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.722 0.238 18978 11078 1 14 . 1 1 138 138 LEU H H 138 8.410 8.410 8.458 -0.048 18978 11079 1 14 . 1 1 139 139 THR N N 139 123.600 123.600 122.699 0.901 18978 11080 1 14 . 1 1 139 139 THR HA H 139 4.830 4.830 4.598 0.232 18978 11081 1 14 . 1 1 139 139 THR C C 139 171.400 171.400 172.596 -1.196 18978 11082 1 14 . 1 1 139 139 THR CA C 139 62.240 62.240 61.644 0.597 18978 11083 1 14 . 1 1 139 139 THR CB C 139 70.120 70.120 69.996 0.124 18978 11084 1 14 . 1 1 139 139 THR H H 139 8.820 8.820 8.296 0.524 18978 11085 1 14 . 1 1 140 140 LEU N N 140 130.500 130.500 129.266 1.234 18978 11086 1 14 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.594 0.436 18978 11087 1 14 . 1 1 140 140 LEU C C 140 173.700 173.700 175.240 -1.540 18978 11088 1 14 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.096 -0.716 18978 11089 1 14 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.692 1.198 18978 11090 1 14 . 1 1 140 140 LEU H H 140 9.250 9.250 8.652 0.598 18978 11091 1 14 . 1 1 141 141 ILE N N 141 127.300 127.300 127.377 -0.077 18978 11092 1 14 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.357 0.303 18978 11093 1 14 . 1 1 141 141 ILE C C 141 174.200 174.200 174.334 -0.134 18978 11094 1 14 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.541 -1.031 18978 11095 1 14 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.931 -1.081 18978 11096 1 14 . 1 1 141 141 ILE H H 141 9.140 9.140 8.572 0.568 18978 11097 1 14 . 1 1 142 142 ARG N N 142 126.500 126.500 127.152 -0.652 18978 11098 1 14 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.605 0.275 18978 11099 1 14 . 1 1 142 142 ARG C C 142 175.100 175.100 175.826 -0.726 18978 11100 1 14 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.493 -0.953 18978 11101 1 14 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.602 -0.102 18978 11102 1 14 . 1 1 142 142 ARG H H 142 8.550 8.550 8.767 -0.217 18978 11103 1 15 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.401 -1.401 18978 11104 1 15 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.549 0.601 18978 11105 1 15 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.280 0.110 18978 11106 1 15 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.343 -2.613 18978 11107 1 15 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.198 -0.158 18978 11108 1 15 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.890 -0.010 18978 11109 1 15 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.227 -0.117 18978 11110 1 15 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.593 0.167 18978 11111 1 15 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.219 -0.349 18978 11112 1 15 . 1 1 0 0 ILE N N 0 125.570 125.570 127.395 -1.825 18978 11113 1 15 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.480 -0.390 18978 11114 1 15 . 1 1 0 0 ILE C C 0 175.850 175.850 175.449 0.401 18978 11115 1 15 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.503 0.297 18978 11116 1 15 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.481 -1.011 18978 11117 1 15 . 1 1 0 0 ILE H H 0 8.230 8.230 8.290 -0.060 18978 11118 1 15 . 1 1 1 1 MET N N 1 125.930 125.930 125.331 0.599 18978 11119 1 15 . 1 1 1 1 MET HA H 1 4.540 4.540 4.735 -0.195 18978 11120 1 15 . 1 1 1 1 MET C C 1 174.830 174.830 175.412 -0.582 18978 11121 1 15 . 1 1 1 1 MET CA C 1 54.790 54.790 55.521 -0.731 18978 11122 1 15 . 1 1 1 1 MET CB C 1 32.640 32.640 33.310 -0.670 18978 11123 1 15 . 1 1 1 1 MET H H 1 8.370 8.370 8.400 -0.030 18978 11124 1 15 . 1 1 2 2 SER N N 2 116.400 116.400 117.784 -1.384 18978 11125 1 15 . 1 1 2 2 SER HA H 2 5.030 5.030 5.043 -0.013 18978 11126 1 15 . 1 1 2 2 SER C C 2 174.330 174.330 173.607 0.723 18978 11127 1 15 . 1 1 2 2 SER CA C 2 57.320 57.320 57.218 0.102 18978 11128 1 15 . 1 1 2 2 SER CB C 2 64.790 64.790 66.127 -1.337 18978 11129 1 15 . 1 1 2 2 SER H H 2 7.990 7.990 8.321 -0.331 18978 11130 1 15 . 1 1 3 3 GLU N N 3 123.670 123.670 122.485 1.185 18978 11131 1 15 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.364 -0.114 18978 11132 1 15 . 1 1 3 3 GLU C C 3 172.980 172.980 174.694 -1.714 18978 11133 1 15 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.682 -0.292 18978 11134 1 15 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.410 -0.500 18978 11135 1 15 . 1 1 3 3 GLU H H 3 9.430 9.430 8.524 0.906 18978 11136 1 15 . 1 1 4 4 LEU N N 4 125.350 125.350 123.717 1.633 18978 11137 1 15 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.017 -0.147 18978 11138 1 15 . 1 1 4 4 LEU C C 4 174.000 174.000 175.357 -1.357 18978 11139 1 15 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.640 -0.620 18978 11140 1 15 . 1 1 4 4 LEU CB C 4 46.040 46.040 44.877 1.163 18978 11141 1 15 . 1 1 4 4 LEU H H 4 8.930 8.930 8.648 0.282 18978 11142 1 15 . 1 1 5 5 LYS N N 5 124.640 124.640 123.899 0.741 18978 11143 1 15 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.913 0.447 18978 11144 1 15 . 1 1 5 5 LYS C C 5 175.660 175.660 175.292 0.368 18978 11145 1 15 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.446 -0.506 18978 11146 1 15 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.116 0.164 18978 11147 1 15 . 1 1 5 5 LYS H H 5 8.840 8.840 8.435 0.405 18978 11148 1 15 . 1 1 6 6 LEU N N 6 123.460 123.460 124.873 -1.413 18978 11149 1 15 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.177 0.253 18978 11150 1 15 . 1 1 6 6 LEU C C 6 174.630 174.630 175.263 -0.633 18978 11151 1 15 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.301 -0.401 18978 11152 1 15 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.452 1.458 18978 11153 1 15 . 1 1 6 6 LEU H H 6 8.820 8.820 8.330 0.490 18978 11154 1 15 . 1 1 7 7 LYS N N 7 122.230 122.230 122.276 -0.046 18978 11155 1 15 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.117 0.373 18978 11156 1 15 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.475 -0.205 18978 11157 1 15 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.662 0.838 18978 11158 1 15 . 1 1 7 7 LYS H H 7 9.110 9.110 8.471 0.639 18978 11159 1 15 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.995 -0.895 18978 11160 1 15 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.661 -0.221 18978 11161 1 15 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.817 -2.177 18978 11162 1 15 . 1 1 9 9 LEU N N 9 123.250 123.250 123.515 -0.265 18978 11163 1 15 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.418 -0.098 18978 11164 1 15 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.671 1.009 18978 11165 1 15 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.136 -1.376 18978 11166 1 15 . 1 1 9 9 LEU H H 9 8.490 8.490 8.052 0.438 18978 11167 1 15 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.476 0.054 18978 11168 1 15 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.144 0.737 18978 11169 1 15 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.167 -0.747 18978 11170 1 15 . 1 1 11 11 LYS N N 11 119.160 119.160 122.599 -3.439 18978 11171 1 15 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.309 -0.199 18978 11172 1 15 . 1 1 11 11 LYS C C 11 175.680 175.680 175.525 0.155 18978 11173 1 15 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.451 -0.241 18978 11174 1 15 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.388 -1.728 18978 11175 1 15 . 1 1 11 11 LYS H H 11 8.180 8.180 8.351 -0.171 18978 11176 1 15 . 1 1 12 12 VAL N N 12 121.820 121.820 126.160 -4.340 18978 11177 1 15 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.247 0.033 18978 11178 1 15 . 1 1 12 12 VAL C C 12 173.690 173.690 174.569 -0.879 18978 11179 1 15 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.818 -0.988 18978 11180 1 15 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.056 -0.506 18978 11181 1 15 . 1 1 12 12 VAL H H 12 7.530 7.530 8.352 -0.822 18978 11182 1 15 . 1 1 13 13 GLU N N 13 125.610 125.610 126.716 -1.106 18978 11183 1 15 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.649 -0.319 18978 11184 1 15 . 1 1 13 13 GLU C C 13 175.390 175.390 175.393 -0.003 18978 11185 1 15 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.621 -0.401 18978 11186 1 15 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.024 -0.054 18978 11187 1 15 . 1 1 13 13 GLU H H 13 8.270 8.270 8.451 -0.181 18978 11188 1 15 . 1 1 14 14 LEU N N 14 125.880 125.880 126.772 -0.892 18978 11189 1 15 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.472 0.048 18978 11190 1 15 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.215 -0.555 18978 11191 1 15 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.367 0.383 18978 11192 1 15 . 1 1 14 14 LEU H H 14 8.480 8.480 8.254 0.226 18978 11193 1 15 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.612 0.148 18978 11194 1 15 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.951 -0.621 18978 11195 1 15 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.365 -0.305 18978 11196 1 15 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.227 0.163 18978 11197 1 15 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.113 -0.563 18978 11198 1 15 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.844 -0.074 18978 11199 1 15 . 1 1 17 17 ASP N N 17 115.820 115.820 115.162 0.658 18978 11200 1 15 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.720 -0.100 18978 11201 1 15 . 1 1 17 17 ASP C C 17 177.100 177.100 177.110 -0.010 18978 11202 1 15 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.508 -0.618 18978 11203 1 15 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.288 -0.168 18978 11204 1 15 . 1 1 17 17 ASP H H 17 8.560 8.560 8.726 -0.166 18978 11205 1 15 . 1 1 18 18 PHE N N 18 119.610 119.610 122.123 -2.513 18978 11206 1 15 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.146 0.034 18978 11207 1 15 . 1 1 18 18 PHE C C 18 176.740 176.740 176.666 0.074 18978 11208 1 15 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.845 -0.825 18978 11209 1 15 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.425 -0.195 18978 11210 1 15 . 1 1 18 18 PHE H H 18 7.940 7.940 7.844 0.096 18978 11211 1 15 . 1 1 19 19 VAL N N 19 116.370 116.370 117.931 -1.561 18978 11212 1 15 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.620 -0.270 18978 11213 1 15 . 1 1 19 19 VAL C C 19 176.400 176.400 177.895 -1.495 18978 11214 1 15 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.896 -0.386 18978 11215 1 15 . 1 1 19 19 VAL CB C 19 31.020 31.020 30.761 0.259 18978 11216 1 15 . 1 1 19 19 VAL H H 19 8.010 8.010 8.118 -0.108 18978 11217 1 15 . 1 1 20 20 ASP N N 20 119.190 119.190 119.928 -0.738 18978 11218 1 15 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.367 -0.057 18978 11219 1 15 . 1 1 20 20 ASP C C 20 178.360 178.360 179.071 -0.711 18978 11220 1 15 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.516 -0.406 18978 11221 1 15 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.086 0.364 18978 11222 1 15 . 1 1 20 20 ASP H H 20 7.420 7.420 7.519 -0.099 18978 11223 1 15 . 1 1 21 21 VAL N N 21 119.830 119.830 120.122 -0.292 18978 11224 1 15 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.656 -0.146 18978 11225 1 15 . 1 1 21 21 VAL C C 21 178.100 178.100 178.162 -0.062 18978 11226 1 15 . 1 1 21 21 VAL CA C 21 65.570 65.570 65.804 -0.234 18978 11227 1 15 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.079 0.331 18978 11228 1 15 . 1 1 21 21 VAL H H 21 7.190 7.190 7.451 -0.261 18978 11229 1 15 . 1 1 22 22 ILE N N 22 118.490 118.490 119.607 -1.117 18978 11230 1 15 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.545 -0.375 18978 11231 1 15 . 1 1 22 22 ILE C C 22 176.660 176.660 178.156 -1.496 18978 11232 1 15 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.743 1.477 18978 11233 1 15 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.187 1.313 18978 11234 1 15 . 1 1 22 22 ILE H H 22 7.660 7.660 7.707 -0.047 18978 11235 1 15 . 1 1 23 23 ARG N N 23 118.260 118.260 120.562 -2.302 18978 11236 1 15 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.928 -0.548 18978 11237 1 15 . 1 1 23 23 ARG C C 23 178.060 178.060 178.838 -0.778 18978 11238 1 15 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.009 0.561 18978 11239 1 15 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.078 -0.008 18978 11240 1 15 . 1 1 23 23 ARG H H 23 7.830 7.830 7.935 -0.105 18978 11241 1 15 . 1 1 24 24 ILE N N 24 116.750 116.750 117.883 -1.133 18978 11242 1 15 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.755 -0.035 18978 11243 1 15 . 1 1 24 24 ILE C C 24 179.090 179.090 177.060 2.030 18978 11244 1 15 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.550 -0.490 18978 11245 1 15 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.908 0.122 18978 11246 1 15 . 1 1 24 24 ILE H H 24 7.350 7.350 7.545 -0.195 18978 11247 1 15 . 1 1 25 25 LYS N N 25 118.700 118.700 117.954 0.746 18978 11248 1 15 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.054 0.036 18978 11249 1 15 . 1 1 25 25 LYS C C 25 178.560 178.560 178.296 0.264 18978 11250 1 15 . 1 1 25 25 LYS CA C 25 57.650 57.650 57.618 0.032 18978 11251 1 15 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.711 -0.621 18978 11252 1 15 . 1 1 25 25 LYS H H 25 7.880 7.880 7.578 0.302 18978 11253 1 15 . 1 1 26 26 LEU N N 26 116.380 116.380 118.945 -2.565 18978 11254 1 15 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.211 0.019 18978 11255 1 15 . 1 1 26 26 LEU C C 26 175.880 175.880 177.038 -1.158 18978 11256 1 15 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.929 -1.839 18978 11257 1 15 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.743 0.567 18978 11258 1 15 . 1 1 26 26 LEU H H 26 7.860 7.860 7.867 -0.007 18978 11259 1 15 . 1 1 27 27 GLN N N 27 119.210 119.210 117.082 2.128 18978 11260 1 15 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.864 -0.334 18978 11261 1 15 . 1 1 27 27 GLN C C 27 177.480 177.480 177.150 0.330 18978 11262 1 15 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.357 1.013 18978 11263 1 15 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.749 -0.449 18978 11264 1 15 . 1 1 27 27 GLN H H 27 7.190 7.190 7.623 -0.433 18978 11265 1 15 . 1 1 28 28 GLY N N 28 113.490 113.490 113.282 0.208 18978 11266 1 15 . 1 1 28 28 GLY C C 28 174.070 174.070 174.406 -0.336 18978 11267 1 15 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.925 0.355 18978 11268 1 15 . 1 1 28 28 GLY H H 28 8.940 8.940 8.584 0.356 18978 11269 1 15 . 1 1 29 29 LYS N N 29 122.060 122.060 122.228 -0.168 18978 11270 1 15 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.606 -0.206 18978 11271 1 15 . 1 1 29 29 LYS C C 29 175.560 175.560 175.646 -0.086 18978 11272 1 15 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.307 0.353 18978 11273 1 15 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.938 -1.068 18978 11274 1 15 . 1 1 29 29 LYS H H 29 8.350 8.350 7.867 0.483 18978 11275 1 15 . 1 1 30 30 THR N N 30 118.150 118.150 117.020 1.130 18978 11276 1 15 . 1 1 30 30 THR HA H 30 5.330 5.330 5.088 0.242 18978 11277 1 15 . 1 1 30 30 THR C C 30 174.860 174.860 174.763 0.097 18978 11278 1 15 . 1 1 30 30 THR CA C 30 62.040 62.040 61.454 0.586 18978 11279 1 15 . 1 1 30 30 THR CB C 30 69.420 69.420 69.881 -0.461 18978 11280 1 15 . 1 1 30 30 THR H H 30 8.410 8.410 8.320 0.090 18978 11281 1 15 . 1 1 31 31 VAL N N 31 122.510 122.510 120.751 1.759 18978 11282 1 15 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.618 -0.048 18978 11283 1 15 . 1 1 31 31 VAL C C 31 172.970 172.970 173.825 -0.855 18978 11284 1 15 . 1 1 31 31 VAL CA C 31 59.450 59.450 60.317 -0.867 18978 11285 1 15 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.949 0.931 18978 11286 1 15 . 1 1 31 31 VAL H H 31 9.140 9.140 8.959 0.181 18978 11287 1 15 . 1 1 32 32 ARG N N 32 120.640 120.640 123.129 -2.489 18978 11288 1 15 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.781 -0.031 18978 11289 1 15 . 1 1 32 32 ARG C C 32 175.650 175.650 175.470 0.180 18978 11290 1 15 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.518 -0.868 18978 11291 1 15 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.376 -0.506 18978 11292 1 15 . 1 1 32 32 ARG H H 32 8.420 8.420 8.915 -0.495 18978 11293 1 15 . 1 1 33 33 THR N N 33 118.590 118.590 117.524 1.066 18978 11294 1 15 . 1 1 33 33 THR HA H 33 3.410 3.410 3.859 -0.449 18978 11295 1 15 . 1 1 33 33 THR C C 33 175.020 175.020 175.966 -0.946 18978 11296 1 15 . 1 1 33 33 THR CA C 33 65.660 65.660 64.954 0.706 18978 11297 1 15 . 1 1 33 33 THR CB C 33 69.400 69.400 68.597 0.803 18978 11298 1 15 . 1 1 33 33 THR H H 33 8.370 8.370 8.579 -0.209 18978 11299 1 15 . 1 1 34 34 GLY N N 34 117.350 117.350 116.085 1.265 18978 11300 1 15 . 1 1 34 34 GLY C C 34 174.350 174.350 174.438 -0.088 18978 11301 1 15 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.770 0.230 18978 11302 1 15 . 1 1 34 34 GLY H H 34 9.090 9.090 8.692 0.398 18978 11303 1 15 . 1 1 35 35 ASP N N 35 122.240 122.240 122.731 -0.491 18978 11304 1 15 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.692 -0.222 18978 11305 1 15 . 1 1 35 35 ASP C C 35 174.570 174.570 175.246 -0.676 18978 11306 1 15 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.216 0.354 18978 11307 1 15 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.983 -0.303 18978 11308 1 15 . 1 1 35 35 ASP H H 35 8.010 8.010 7.816 0.194 18978 11309 1 15 . 1 1 36 36 VAL N N 36 119.860 119.860 121.063 -1.203 18978 11310 1 15 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.735 0.215 18978 11311 1 15 . 1 1 36 36 VAL C C 36 176.330 176.330 175.886 0.444 18978 11312 1 15 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.475 0.235 18978 11313 1 15 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.819 -0.919 18978 11314 1 15 . 1 1 36 36 VAL H H 36 8.330 8.330 8.404 -0.074 18978 11315 1 15 . 1 1 37 37 ILE N N 37 124.990 124.990 128.560 -3.570 18978 11316 1 15 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.531 0.099 18978 11317 1 15 . 1 1 37 37 ILE C C 37 174.400 174.400 174.858 -0.458 18978 11318 1 15 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.508 -1.518 18978 11319 1 15 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.489 0.321 18978 11320 1 15 . 1 1 37 37 ILE H H 37 9.160 9.160 8.686 0.474 18978 11321 1 15 . 1 1 38 38 GLY N N 38 112.060 112.060 112.621 -0.561 18978 11322 1 15 . 1 1 38 38 GLY C C 38 172.920 172.920 173.569 -0.649 18978 11323 1 15 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.337 0.244 18978 11324 1 15 . 1 1 38 38 GLY H H 38 8.660 8.660 8.424 0.236 18978 11325 1 15 . 1 1 39 39 ILE N N 39 123.220 123.220 124.233 -1.013 18978 11326 1 15 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.400 -0.030 18978 11327 1 15 . 1 1 39 39 ILE C C 39 174.500 174.500 175.197 -0.697 18978 11328 1 15 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.495 -0.945 18978 11329 1 15 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.803 -0.503 18978 11330 1 15 . 1 1 39 39 ILE H H 39 8.810 8.810 8.104 0.706 18978 11331 1 15 . 1 1 40 40 SER N N 40 121.430 121.430 121.562 -0.132 18978 11332 1 15 . 1 1 40 40 SER HA H 40 4.830 4.830 4.865 -0.035 18978 11333 1 15 . 1 1 40 40 SER C C 40 174.130 174.130 174.076 0.054 18978 11334 1 15 . 1 1 40 40 SER CA C 40 57.770 57.770 57.764 0.006 18978 11335 1 15 . 1 1 40 40 SER CB C 40 63.040 63.040 63.770 -0.730 18978 11336 1 15 . 1 1 40 40 SER H H 40 8.540 8.540 8.695 -0.155 18978 11337 1 15 . 1 1 41 41 ILE N N 41 127.060 127.060 129.001 -1.941 18978 11338 1 15 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.402 -0.112 18978 11339 1 15 . 1 1 41 41 ILE C C 41 175.280 175.280 175.663 -0.383 18978 11340 1 15 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.869 -0.619 18978 11341 1 15 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.234 -0.394 18978 11342 1 15 . 1 1 41 41 ILE H H 41 8.930 8.930 8.637 0.293 18978 11343 1 15 . 1 1 42 42 LEU N N 42 126.770 126.770 127.879 -1.109 18978 11344 1 15 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.919 -0.029 18978 11345 1 15 . 1 1 42 42 LEU C C 42 177.130 177.130 177.437 -0.307 18978 11346 1 15 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.527 0.033 18978 11347 1 15 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.546 -1.176 18978 11348 1 15 . 1 1 42 42 LEU H H 42 9.380 9.380 9.340 0.040 18978 11349 1 15 . 1 1 43 43 GLY N N 43 103.820 103.820 103.015 0.805 18978 11350 1 15 . 1 1 43 43 GLY C C 43 173.690 173.690 174.542 -0.852 18978 11351 1 15 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.336 0.004 18978 11352 1 15 . 1 1 43 43 GLY H H 43 8.310 8.310 8.690 -0.380 18978 11353 1 15 . 1 1 44 44 LYS N N 44 121.160 121.160 122.553 -1.393 18978 11354 1 15 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.460 0.100 18978 11355 1 15 . 1 1 44 44 LYS C C 44 174.550 174.550 175.283 -0.733 18978 11356 1 15 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.323 -1.183 18978 11357 1 15 . 1 1 44 44 LYS CB C 44 34.620 34.620 33.538 1.082 18978 11358 1 15 . 1 1 44 44 LYS H H 44 7.730 7.730 7.647 0.083 18978 11359 1 15 . 1 1 45 45 GLU N N 45 124.090 124.090 125.697 -1.607 18978 11360 1 15 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.556 -0.276 18978 11361 1 15 . 1 1 45 45 GLU C C 45 175.730 175.730 175.660 0.070 18978 11362 1 15 . 1 1 45 45 GLU CA C 45 56.730 56.730 55.999 0.731 18978 11363 1 15 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.943 -0.873 18978 11364 1 15 . 1 1 45 45 GLU H H 45 8.490 8.490 8.708 -0.218 18978 11365 1 15 . 1 1 46 46 VAL N N 46 129.960 129.960 127.510 2.450 18978 11366 1 15 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.227 -0.197 18978 11367 1 15 . 1 1 46 46 VAL C C 46 174.610 174.610 173.423 1.187 18978 11368 1 15 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.255 1.425 18978 11369 1 15 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.608 -0.728 18978 11370 1 15 . 1 1 46 46 VAL H H 46 8.920 8.920 8.476 0.444 18978 11371 1 15 . 1 1 47 47 LYS N N 47 124.790 124.790 128.327 -3.537 18978 11372 1 15 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.647 0.473 18978 11373 1 15 . 1 1 47 47 LYS C C 47 175.380 175.380 175.363 0.017 18978 11374 1 15 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.306 -0.106 18978 11375 1 15 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.512 1.158 18978 11376 1 15 . 1 1 47 47 LYS H H 47 7.860 7.860 8.296 -0.436 18978 11377 1 15 . 1 1 48 48 PHE N N 48 118.270 118.270 123.842 -5.572 18978 11378 1 15 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.140 -0.180 18978 11379 1 15 . 1 1 48 48 PHE C C 48 173.950 173.950 174.872 -0.922 18978 11380 1 15 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.920 -0.010 18978 11381 1 15 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.430 1.520 18978 11382 1 15 . 1 1 48 48 PHE H H 48 9.270 9.270 8.673 0.597 18978 11383 1 15 . 1 1 49 49 LYS N N 49 121.960 121.960 123.336 -1.376 18978 11384 1 15 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.874 0.036 18978 11385 1 15 . 1 1 49 49 LYS C C 49 176.230 176.230 175.726 0.504 18978 11386 1 15 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.473 -0.563 18978 11387 1 15 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.870 -0.700 18978 11388 1 15 . 1 1 49 49 LYS H H 49 9.170 9.170 8.625 0.545 18978 11389 1 15 . 1 1 50 50 VAL N N 50 127.140 127.140 128.842 -1.702 18978 11390 1 15 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.956 0.214 18978 11391 1 15 . 1 1 50 50 VAL C C 50 175.500 175.500 176.080 -0.580 18978 11392 1 15 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.542 -1.562 18978 11393 1 15 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.021 -1.531 18978 11394 1 15 . 1 1 50 50 VAL H H 50 9.400 9.400 8.511 0.889 18978 11395 1 15 . 1 1 51 51 VAL N N 51 132.840 132.840 129.353 3.487 18978 11396 1 15 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.889 -0.239 18978 11397 1 15 . 1 1 51 51 VAL C C 51 176.440 176.440 176.333 0.107 18978 11398 1 15 . 1 1 51 51 VAL CA C 51 64.930 64.930 64.953 -0.023 18978 11399 1 15 . 1 1 51 51 VAL CB C 51 32.130 32.130 31.982 0.148 18978 11400 1 15 . 1 1 51 51 VAL H H 51 8.390 8.390 8.541 -0.151 18978 11401 1 15 . 1 1 52 52 GLN N N 52 114.500 114.500 114.912 -0.412 18978 11402 1 15 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.562 -0.292 18978 11403 1 15 . 1 1 52 52 GLN C C 52 172.290 172.290 173.399 -1.109 18978 11404 1 15 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.702 0.938 18978 11405 1 15 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.389 0.241 18978 11406 1 15 . 1 1 52 52 GLN H H 52 7.470 7.470 7.544 -0.074 18978 11407 1 15 . 1 1 53 53 ALA N N 53 131.410 131.410 126.935 4.475 18978 11408 1 15 . 1 1 53 53 ALA HA H 53 4.830 4.830 5.092 -0.262 18978 11409 1 15 . 1 1 53 53 ALA C C 53 174.270 174.270 174.980 -0.710 18978 11410 1 15 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.462 0.338 18978 11411 1 15 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.374 -2.274 18978 11412 1 15 . 1 1 53 53 ALA H H 53 8.200 8.200 8.340 -0.140 18978 11413 1 15 . 1 1 54 54 TYR N N 54 124.140 124.140 123.620 0.520 18978 11414 1 15 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.997 -0.457 18978 11415 1 15 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.645 -1.375 18978 11416 1 15 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.189 -0.829 18978 11417 1 15 . 1 1 54 54 TYR H H 54 8.860 8.860 8.547 0.313 18978 11418 1 15 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.341 -0.221 18978 11419 1 15 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.335 1.115 18978 11420 1 15 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.773 1.397 18978 11421 1 15 . 1 1 56 56 SER N N 56 106.200 106.200 114.596 -8.396 18978 11422 1 15 . 1 1 56 56 SER HA H 56 4.720 4.720 4.767 -0.047 18978 11423 1 15 . 1 1 56 56 SER CA C 56 54.250 54.250 55.766 -1.516 18978 11424 1 15 . 1 1 56 56 SER CB C 56 64.530 64.530 64.628 -0.098 18978 11425 1 15 . 1 1 56 56 SER H H 56 7.380 7.380 8.075 -0.695 18978 11426 1 15 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.423 0.457 18978 11427 1 15 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.917 0.073 18978 11428 1 15 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.567 2.653 18978 11429 1 15 . 1 1 58 58 LEU N N 58 120.480 120.480 122.229 -1.749 18978 11430 1 15 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.681 -0.251 18978 11431 1 15 . 1 1 58 58 LEU C C 58 174.570 174.570 174.915 -0.345 18978 11432 1 15 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.231 -0.331 18978 11433 1 15 . 1 1 58 58 LEU CB C 58 44.210 44.210 46.140 -1.930 18978 11434 1 15 . 1 1 58 58 LEU H H 58 8.960 8.960 8.301 0.659 18978 11435 1 15 . 1 1 59 59 ARG N N 59 125.180 125.180 126.096 -0.916 18978 11436 1 15 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.674 0.256 18978 11437 1 15 . 1 1 59 59 ARG C C 59 175.460 175.460 175.545 -0.085 18978 11438 1 15 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.058 -1.018 18978 11439 1 15 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.197 -0.647 18978 11440 1 15 . 1 1 59 59 ARG H H 59 8.130 8.130 8.553 -0.423 18978 11441 1 15 . 1 1 60 60 VAL N N 60 128.170 128.170 128.144 0.026 18978 11442 1 15 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.932 -0.522 18978 11443 1 15 . 1 1 60 60 VAL C C 60 175.460 175.460 174.819 0.641 18978 11444 1 15 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.728 1.482 18978 11445 1 15 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.944 -2.103 18978 11446 1 15 . 1 1 60 60 VAL H H 60 8.450 8.450 8.214 0.236 18978 11447 1 15 . 1 1 61 61 GLU N N 61 127.670 127.670 126.960 0.710 18978 11448 1 15 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.582 0.288 18978 11449 1 15 . 1 1 61 61 GLU C C 61 176.960 176.960 176.490 0.470 18978 11450 1 15 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.684 -0.354 18978 11451 1 15 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.210 0.070 18978 11452 1 15 . 1 1 61 61 GLU H H 61 8.620 8.620 7.774 0.846 18978 11453 1 15 . 1 1 62 62 ASP N N 62 121.140 121.140 122.522 -1.382 18978 11454 1 15 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.275 -0.125 18978 11455 1 15 . 1 1 62 62 ASP C C 62 177.460 177.460 177.471 -0.011 18978 11456 1 15 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.585 0.035 18978 11457 1 15 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.841 -0.481 18978 11458 1 15 . 1 1 62 62 ASP H H 62 8.700 8.700 8.845 -0.145 18978 11459 1 15 . 1 1 63 63 ARG N N 63 112.890 112.890 117.019 -4.129 18978 11460 1 15 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.193 0.087 18978 11461 1 15 . 1 1 63 63 ARG C C 63 176.510 176.510 177.178 -0.668 18978 11462 1 15 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.988 -1.538 18978 11463 1 15 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.467 -0.477 18978 11464 1 15 . 1 1 63 63 ARG H H 63 7.760 7.760 7.978 -0.218 18978 11465 1 15 . 1 1 64 64 THR N N 64 120.650 120.650 116.198 4.452 18978 11466 1 15 . 1 1 64 64 THR HA H 64 4.020 4.020 4.381 -0.361 18978 11467 1 15 . 1 1 64 64 THR C C 64 173.810 173.810 174.286 -0.476 18978 11468 1 15 . 1 1 64 64 THR CA C 64 64.060 64.060 63.419 0.641 18978 11469 1 15 . 1 1 64 64 THR CB C 64 69.350 69.350 69.656 -0.306 18978 11470 1 15 . 1 1 64 64 THR H H 64 7.700 7.700 7.547 0.153 18978 11471 1 15 . 1 1 65 65 LYS N N 65 130.950 130.950 126.903 4.047 18978 11472 1 15 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.485 -0.215 18978 11473 1 15 . 1 1 65 65 LYS C C 65 174.560 174.560 175.162 -0.602 18978 11474 1 15 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.141 0.139 18978 11475 1 15 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.830 -0.710 18978 11476 1 15 . 1 1 65 65 LYS H H 65 8.520 8.520 8.225 0.295 18978 11477 1 15 . 1 1 66 66 ILE N N 66 128.020 128.020 124.747 3.273 18978 11478 1 15 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.911 -0.061 18978 11479 1 15 . 1 1 66 66 ILE C C 66 174.650 174.650 175.958 -1.308 18978 11480 1 15 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.083 -0.263 18978 11481 1 15 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.491 -2.211 18978 11482 1 15 . 1 1 66 66 ILE H H 66 8.430 8.430 8.491 -0.061 18978 11483 1 15 . 1 1 67 67 THR N N 67 123.870 123.870 122.413 1.457 18978 11484 1 15 . 1 1 67 67 THR HA H 67 4.470 4.470 4.765 -0.295 18978 11485 1 15 . 1 1 67 67 THR C C 67 172.760 172.760 172.595 0.165 18978 11486 1 15 . 1 1 67 67 THR CA C 67 60.740 60.740 60.989 -0.249 18978 11487 1 15 . 1 1 67 67 THR CB C 67 71.320 71.320 71.195 0.125 18978 11488 1 15 . 1 1 67 67 THR H H 67 8.870 8.870 8.359 0.511 18978 11489 1 15 . 1 1 68 68 LEU N N 68 127.070 127.070 127.137 -0.067 18978 11490 1 15 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.025 0.115 18978 11491 1 15 . 1 1 68 68 LEU C C 68 176.610 176.610 176.092 0.518 18978 11492 1 15 . 1 1 68 68 LEU CA C 68 53.280 53.280 53.770 -0.490 18978 11493 1 15 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.322 -0.722 18978 11494 1 15 . 1 1 68 68 LEU H H 68 8.820 8.820 8.562 0.258 18978 11495 1 15 . 1 1 69 69 VAL N N 69 124.120 124.120 126.458 -2.338 18978 11496 1 15 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.493 -0.233 18978 11497 1 15 . 1 1 69 69 VAL CA C 69 61.350 61.350 60.945 0.405 18978 11498 1 15 . 1 1 69 69 VAL CB C 69 32.790 32.790 33.073 -0.283 18978 11499 1 15 . 1 1 69 69 VAL H H 69 8.800 8.800 8.696 0.104 18978 11500 1 15 . 1 1 70 70 THR N N 70 114.500 114.500 115.981 -1.481 18978 11501 1 15 . 1 1 70 70 THR HA H 70 4.410 4.410 4.683 -0.273 18978 11502 1 15 . 1 1 70 70 THR CA C 70 60.800 60.800 60.390 0.410 18978 11503 1 15 . 1 1 70 70 THR CB C 70 69.650 69.650 70.530 -0.880 18978 11504 1 15 . 1 1 70 70 THR H H 70 8.160 8.160 8.275 -0.115 18978 11505 1 15 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.600 -0.670 18978 11506 1 15 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.383 2.137 18978 11507 1 15 . 1 1 72 72 PRO CB C 72 34.140 34.140 33.145 0.994 18978 11508 1 15 . 1 1 73 73 VAL N N 73 117.500 117.500 118.225 -0.725 18978 11509 1 15 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.180 0.340 18978 11510 1 15 . 1 1 73 73 VAL C C 73 174.100 174.100 175.413 -1.313 18978 11511 1 15 . 1 1 73 73 VAL CA C 73 60.010 60.010 62.098 -2.088 18978 11512 1 15 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.495 0.835 18978 11513 1 15 . 1 1 73 73 VAL H H 73 7.410 7.410 8.150 -0.740 18978 11514 1 15 . 1 1 74 74 ASP N N 74 124.500 124.500 125.263 -0.763 18978 11515 1 15 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.737 0.173 18978 11516 1 15 . 1 1 74 74 ASP C C 74 174.000 174.000 175.740 -1.740 18978 11517 1 15 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.669 -0.219 18978 11518 1 15 . 1 1 74 74 ASP CB C 74 43.350 43.350 42.102 1.248 18978 11519 1 15 . 1 1 74 74 ASP H H 74 8.290 8.290 8.399 -0.109 18978 11520 1 15 . 1 1 75 75 VAL N N 75 122.400 122.400 124.392 -1.992 18978 11521 1 15 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.334 0.356 18978 11522 1 15 . 1 1 75 75 VAL C C 75 174.600 174.600 175.319 -0.719 18978 11523 1 15 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.717 -0.517 18978 11524 1 15 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.124 0.206 18978 11525 1 15 . 1 1 75 75 VAL H H 75 7.780 7.780 8.373 -0.593 18978 11526 1 15 . 1 1 76 76 LEU N N 76 130.300 130.300 128.169 2.131 18978 11527 1 15 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.630 0.090 18978 11528 1 15 . 1 1 76 76 LEU C C 76 174.400 174.400 176.302 -1.902 18978 11529 1 15 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.398 -0.768 18978 11530 1 15 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.054 0.906 18978 11531 1 15 . 1 1 76 76 LEU H H 76 9.200 9.200 8.437 0.763 18978 11532 1 15 . 1 1 77 77 GLU N N 77 118.600 118.600 122.230 -3.630 18978 11533 1 15 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.552 0.768 18978 11534 1 15 . 1 1 77 77 GLU C C 77 174.900 174.900 175.017 -0.117 18978 11535 1 15 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.787 -1.697 18978 11536 1 15 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.134 2.066 18978 11537 1 15 . 1 1 77 77 GLU H H 77 8.010 8.010 8.516 -0.506 18978 11538 1 15 . 1 1 78 78 ALA N N 78 124.500 124.500 124.525 -0.025 18978 11539 1 15 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.502 0.138 18978 11540 1 15 . 1 1 78 78 ALA C C 78 175.500 175.500 176.943 -1.443 18978 11541 1 15 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.479 -0.799 18978 11542 1 15 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.430 0.380 18978 11543 1 15 . 1 1 78 78 ALA H H 78 8.800 8.800 8.167 0.633 18978 11544 1 15 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.377 0.103 18978 11545 1 15 . 1 1 79 79 LYS C C 79 174.700 174.700 175.624 -0.924 18978 11546 1 15 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.057 0.043 18978 11547 1 15 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.093 -1.153 18978 11548 1 15 . 1 1 80 80 ILE N N 80 127.300 127.300 124.148 3.152 18978 11549 1 15 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.280 -0.200 18978 11550 1 15 . 1 1 80 80 ILE C C 80 172.700 172.700 174.849 -2.149 18978 11551 1 15 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.314 -0.374 18978 11552 1 15 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.736 2.194 18978 11553 1 15 . 1 1 80 80 ILE H H 80 7.380 7.380 8.453 -1.073 18978 11554 1 15 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.487 -0.207 18978 11555 1 15 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.060 0.060 18978 11556 1 15 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.451 -0.701 18978 11557 1 15 . 1 1 82 82 GLY N N 82 113.000 113.000 113.429 -0.429 18978 11558 1 15 . 1 1 82 82 GLY C C 82 174.600 174.600 174.003 0.597 18978 11559 1 15 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.608 2.262 18978 11560 1 15 . 1 1 82 82 GLY H H 82 8.210 8.210 8.725 -0.515 18978 11561 1 15 . 1 1 83 83 ILE N N 83 121.200 121.200 118.949 2.251 18978 11562 1 15 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.913 -0.573 18978 11563 1 15 . 1 1 83 83 ILE C C 83 175.000 175.000 176.313 -1.313 18978 11564 1 15 . 1 1 83 83 ILE CA C 83 64.710 64.710 61.883 2.828 18978 11565 1 15 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.054 -0.564 18978 11566 1 15 . 1 1 83 83 ILE H H 83 8.350 8.350 7.986 0.364 18978 11567 1 15 . 1 1 84 84 LYS N N 84 129.400 129.400 128.461 0.939 18978 11568 1 15 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.367 0.123 18978 11569 1 15 . 1 1 84 84 LYS C C 84 175.000 175.000 176.277 -1.277 18978 11570 1 15 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.101 -1.031 18978 11571 1 15 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.096 0.394 18978 11572 1 15 . 1 1 84 84 LYS H H 84 9.160 9.160 8.646 0.514 18978 11573 1 15 . 1 1 85 85 ASP N N 85 117.500 117.500 117.275 0.225 18978 11574 1 15 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.928 -0.148 18978 11575 1 15 . 1 1 85 85 ASP C C 85 173.200 173.200 173.701 -0.501 18978 11576 1 15 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.948 -0.858 18978 11577 1 15 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.387 -0.897 18978 11578 1 15 . 1 1 85 85 ASP H H 85 7.990 7.990 7.781 0.209 18978 11579 1 15 . 1 1 86 86 VAL N N 86 119.400 119.400 121.537 -2.137 18978 11580 1 15 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.674 0.496 18978 11581 1 15 . 1 1 86 86 VAL C C 86 172.500 172.500 175.131 -2.631 18978 11582 1 15 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.944 -1.194 18978 11583 1 15 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.667 0.493 18978 11584 1 15 . 1 1 86 86 VAL H H 86 8.210 8.210 8.459 -0.249 18978 11585 1 15 . 1 1 87 87 ILE N N 87 127.100 127.100 127.494 -0.394 18978 11586 1 15 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.455 -0.245 18978 11587 1 15 . 1 1 87 87 ILE C C 87 173.600 173.600 174.288 -0.688 18978 11588 1 15 . 1 1 87 87 ILE CA C 87 60.470 60.470 59.064 1.406 18978 11589 1 15 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.084 2.406 18978 11590 1 15 . 1 1 87 87 ILE H H 87 9.190 9.190 8.849 0.341 18978 11591 1 15 . 1 1 88 88 LEU N N 88 125.700 125.700 129.107 -3.407 18978 11592 1 15 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.695 0.345 18978 11593 1 15 . 1 1 88 88 LEU C C 88 174.500 174.500 175.355 -0.855 18978 11594 1 15 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.212 -1.272 18978 11595 1 15 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.548 -1.038 18978 11596 1 15 . 1 1 88 88 LEU H H 88 7.840 7.840 8.472 -0.632 18978 11597 1 15 . 1 1 89 89 ASP N N 89 127.800 127.800 125.239 2.561 18978 11598 1 15 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.020 -0.250 18978 11599 1 15 . 1 1 89 89 ASP C C 89 174.100 174.100 176.078 -1.978 18978 11600 1 15 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.696 -0.076 18978 11601 1 15 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.414 -0.344 18978 11602 1 15 . 1 1 89 89 ASP H H 89 8.280 8.280 8.759 -0.479 18978 11603 1 15 . 1 1 90 90 GLU N N 90 122.400 122.400 123.253 -0.853 18978 11604 1 15 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.023 -0.173 18978 11605 1 15 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.053 -0.223 18978 11606 1 15 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.874 -0.464 18978 11607 1 15 . 1 1 90 90 GLU H H 90 8.980 8.980 8.717 0.263 18978 11608 1 15 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.945 -0.665 18978 11609 1 15 . 1 1 91 91 ASN C C 91 173.600 173.600 173.597 0.003 18978 11610 1 15 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.789 1.371 18978 11611 1 15 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.305 -0.405 18978 11612 1 15 . 1 1 92 92 LEU N N 92 117.400 117.400 119.795 -2.395 18978 11613 1 15 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.722 0.308 18978 11614 1 15 . 1 1 92 92 LEU C C 92 174.700 174.700 174.226 0.474 18978 11615 1 15 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.677 -0.977 18978 11616 1 15 . 1 1 92 92 LEU CB C 92 47.250 47.250 47.167 0.083 18978 11617 1 15 . 1 1 92 92 LEU H H 92 7.110 7.110 7.904 -0.794 18978 11618 1 15 . 1 1 93 93 ILE N N 93 121.300 121.300 121.622 -0.322 18978 11619 1 15 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.535 -0.085 18978 11620 1 15 . 1 1 93 93 ILE C C 93 174.000 174.000 174.414 -0.414 18978 11621 1 15 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.747 0.223 18978 11622 1 15 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.305 0.325 18978 11623 1 15 . 1 1 93 93 ILE H H 93 8.450 8.450 8.655 -0.205 18978 11624 1 15 . 1 1 94 94 VAL N N 94 128.000 128.000 128.774 -0.774 18978 11625 1 15 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.979 -0.139 18978 11626 1 15 . 1 1 94 94 VAL C C 94 174.000 174.000 174.696 -0.696 18978 11627 1 15 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.013 0.087 18978 11628 1 15 . 1 1 94 94 VAL CB C 94 32.120 32.120 33.905 -1.785 18978 11629 1 15 . 1 1 94 94 VAL H H 94 8.970 8.970 8.538 0.432 18978 11630 1 15 . 1 1 95 95 VAL N N 95 127.700 127.700 127.345 0.355 18978 11631 1 15 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.546 0.124 18978 11632 1 15 . 1 1 95 95 VAL C C 95 173.300 173.300 174.682 -1.382 18978 11633 1 15 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.473 -0.633 18978 11634 1 15 . 1 1 95 95 VAL CB C 95 34.240 34.240 35.055 -0.815 18978 11635 1 15 . 1 1 95 95 VAL H H 95 9.420 9.420 8.718 0.702 18978 11636 1 15 . 1 1 96 96 ILE N N 96 126.000 126.000 126.753 -0.753 18978 11637 1 15 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.007 0.213 18978 11638 1 15 . 1 1 96 96 ILE C C 96 177.100 177.100 175.579 1.521 18978 11639 1 15 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.792 -0.222 18978 11640 1 15 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.375 0.375 18978 11641 1 15 . 1 1 96 96 ILE H H 96 8.460 8.460 8.773 -0.313 18978 11642 1 15 . 1 1 97 97 THR N N 97 118.100 118.100 117.818 0.282 18978 11643 1 15 . 1 1 97 97 THR HA H 97 5.250 5.250 4.923 0.327 18978 11644 1 15 . 1 1 97 97 THR C C 97 176.300 176.300 176.187 0.113 18978 11645 1 15 . 1 1 97 97 THR CA C 97 59.650 59.650 59.757 -0.107 18978 11646 1 15 . 1 1 97 97 THR CB C 97 71.890 71.890 71.613 0.277 18978 11647 1 15 . 1 1 97 97 THR H H 97 9.050 9.050 8.448 0.602 18978 11648 1 15 . 1 1 98 98 GLU N N 98 120.100 120.100 122.011 -1.911 18978 11649 1 15 . 1 1 98 98 GLU HA H 98 4.120 4.120 4.005 0.115 18978 11650 1 15 . 1 1 98 98 GLU C C 98 176.200 176.200 177.899 -1.699 18978 11651 1 15 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.326 -1.436 18978 11652 1 15 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.532 -0.002 18978 11653 1 15 . 1 1 98 98 GLU H H 98 9.220 9.220 8.401 0.819 18978 11654 1 15 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.301 -0.151 18978 11655 1 15 . 1 1 99 99 GLU C C 99 174.200 174.200 175.748 -1.548 18978 11656 1 15 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.200 2.010 18978 11657 1 15 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.784 1.086 18978 11658 1 15 . 1 1 100 100 ASN N N 100 113.200 113.200 114.607 -1.407 18978 11659 1 15 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.415 -0.305 18978 11660 1 15 . 1 1 100 100 ASN C C 100 173.700 173.700 173.459 0.241 18978 11661 1 15 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.488 -0.088 18978 11662 1 15 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.343 -0.483 18978 11663 1 15 . 1 1 100 100 ASN H H 100 8.020 8.020 8.086 -0.066 18978 11664 1 15 . 1 1 101 101 GLU N N 101 115.500 115.500 118.221 -2.721 18978 11665 1 15 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.771 0.379 18978 11666 1 15 . 1 1 101 101 GLU C C 101 174.900 174.900 174.518 0.382 18978 11667 1 15 . 1 1 101 101 GLU CA C 101 55.050 55.050 54.978 0.072 18978 11668 1 15 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.477 -2.077 18978 11669 1 15 . 1 1 101 101 GLU H H 101 7.230 7.230 7.330 -0.100 18978 11670 1 15 . 1 1 102 102 VAL N N 102 122.700 122.700 124.778 -2.078 18978 11671 1 15 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.699 0.221 18978 11672 1 15 . 1 1 102 102 VAL C C 102 173.700 173.700 174.436 -0.736 18978 11673 1 15 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.287 -0.367 18978 11674 1 15 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.784 0.026 18978 11675 1 15 . 1 1 102 102 VAL H H 102 8.710 8.710 8.793 -0.083 18978 11676 1 15 . 1 1 103 103 LEU N N 103 127.300 127.300 128.104 -0.804 18978 11677 1 15 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.818 -0.518 18978 11678 1 15 . 1 1 103 103 LEU C C 103 174.500 174.500 175.511 -1.011 18978 11679 1 15 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.629 0.191 18978 11680 1 15 . 1 1 103 103 LEU H H 103 9.140 9.140 8.532 0.608 18978 11681 1 15 . 1 1 104 104 ILE N N 104 122.200 122.200 121.791 0.409 18978 11682 1 15 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.505 0.235 18978 11683 1 15 . 1 1 104 104 ILE C C 104 173.600 173.600 174.497 -0.897 18978 11684 1 15 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.544 -0.324 18978 11685 1 15 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.509 -0.359 18978 11686 1 15 . 1 1 104 104 ILE H H 104 8.470 8.470 8.334 0.136 18978 11687 1 15 . 1 1 105 105 PHE N N 105 126.600 126.600 125.589 1.011 18978 11688 1 15 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.717 -0.147 18978 11689 1 15 . 1 1 105 105 PHE C C 105 175.800 175.800 175.415 0.385 18978 11690 1 15 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.824 -0.374 18978 11691 1 15 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.473 1.197 18978 11692 1 15 . 1 1 105 105 PHE H H 105 9.330 9.330 9.095 0.235 18978 11693 1 15 . 1 1 106 106 ASN N N 106 116.000 116.000 118.250 -2.250 18978 11694 1 15 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.078 0.392 18978 11695 1 15 . 1 1 106 106 ASN C C 106 176.700 176.700 176.998 -0.298 18978 11696 1 15 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.187 -0.687 18978 11697 1 15 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.505 -0.905 18978 11698 1 15 . 1 1 106 106 ASN H H 106 7.710 7.710 8.299 -0.589 18978 11699 1 15 . 1 1 107 107 GLN N N 107 114.500 114.500 119.630 -5.130 18978 11700 1 15 . 1 1 107 107 GLN HA H 107 3.890 3.890 3.990 -0.100 18978 11701 1 15 . 1 1 107 107 GLN C C 107 173.700 173.700 176.483 -2.783 18978 11702 1 15 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.129 -1.619 18978 11703 1 15 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.488 -1.398 18978 11704 1 15 . 1 1 107 107 GLN H H 107 8.040 8.040 8.875 -0.835 18978 11705 1 15 . 1 1 108 108 ASN N N 108 115.800 115.800 115.693 0.107 18978 11706 1 15 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.643 0.027 18978 11707 1 15 . 1 1 108 108 ASN C C 108 173.600 173.600 175.168 -1.568 18978 11708 1 15 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.703 -0.613 18978 11709 1 15 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.270 0.590 18978 11710 1 15 . 1 1 108 108 ASN H H 108 7.440 7.440 8.005 -0.565 18978 11711 1 15 . 1 1 109 109 LEU N N 109 115.200 115.200 118.970 -3.770 18978 11712 1 15 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.874 -0.344 18978 11713 1 15 . 1 1 109 109 LEU C C 109 174.700 174.700 175.530 -0.830 18978 11714 1 15 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.171 -0.401 18978 11715 1 15 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.532 -1.832 18978 11716 1 15 . 1 1 109 109 LEU H H 109 8.220 8.220 7.661 0.559 18978 11717 1 15 . 1 1 110 110 GLU N N 110 117.600 117.600 119.045 -1.445 18978 11718 1 15 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.810 -0.390 18978 11719 1 15 . 1 1 110 110 GLU C C 110 175.800 175.800 175.079 0.721 18978 11720 1 15 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.674 0.506 18978 11721 1 15 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.470 -3.650 18978 11722 1 15 . 1 1 110 110 GLU H H 110 7.550 7.550 8.587 -1.037 18978 11723 1 15 . 1 1 111 111 GLU N N 111 125.900 125.900 121.531 4.369 18978 11724 1 15 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.123 -0.293 18978 11725 1 15 . 1 1 111 111 GLU C C 111 175.400 175.400 176.100 -0.700 18978 11726 1 15 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.882 -0.242 18978 11727 1 15 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.930 0.690 18978 11728 1 15 . 1 1 111 111 GLU H H 111 8.350 8.350 8.713 -0.363 18978 11729 1 15 . 1 1 112 112 LEU N N 112 128.000 128.000 128.453 -0.453 18978 11730 1 15 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.476 -0.206 18978 11731 1 15 . 1 1 112 112 LEU C C 112 176.100 176.100 176.364 -0.264 18978 11732 1 15 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.289 -0.259 18978 11733 1 15 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.266 -1.496 18978 11734 1 15 . 1 1 112 112 LEU H H 112 9.110 9.110 8.312 0.798 18978 11735 1 15 . 1 1 113 113 TYR N N 113 116.300 116.300 119.164 -2.864 18978 11736 1 15 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.641 -0.311 18978 11737 1 15 . 1 1 113 113 TYR C C 113 171.700 171.700 173.016 -1.316 18978 11738 1 15 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.551 0.409 18978 11739 1 15 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.353 -0.633 18978 11740 1 15 . 1 1 113 113 TYR H H 113 7.250 7.250 7.482 -0.232 18978 11741 1 15 . 1 1 114 114 ARG N N 114 126.200 126.200 126.732 -0.532 18978 11742 1 15 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.889 0.131 18978 11743 1 15 . 1 1 114 114 ARG C C 114 173.500 173.500 174.336 -0.836 18978 11744 1 15 . 1 1 114 114 ARG CA C 114 54.620 54.620 55.151 -0.531 18978 11745 1 15 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.129 1.321 18978 11746 1 15 . 1 1 114 114 ARG H H 114 6.560 6.560 7.970 -1.410 18978 11747 1 15 . 1 1 115 115 GLY N N 115 111.300 111.300 112.787 -1.487 18978 11748 1 15 . 1 1 115 115 GLY C C 115 178.100 178.100 171.337 6.763 18978 11749 1 15 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.576 -0.166 18978 11750 1 15 . 1 1 115 115 GLY H H 115 8.320 8.320 8.268 0.052 18978 11751 1 15 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.527 0.243 18978 11752 1 15 . 1 1 116 116 LYS C C 116 174.400 174.400 174.744 -0.344 18978 11753 1 15 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.168 0.022 18978 11754 1 15 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.173 -0.833 18978 11755 1 15 . 1 1 117 117 PHE N N 117 125.800 125.800 123.016 2.784 18978 11756 1 15 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.819 -0.269 18978 11757 1 15 . 1 1 117 117 PHE C C 117 174.000 174.000 175.858 -1.858 18978 11758 1 15 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.818 0.032 18978 11759 1 15 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.626 0.534 18978 11760 1 15 . 1 1 117 117 PHE H H 117 8.090 8.090 8.607 -0.517 18978 11761 1 15 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.796 -0.136 18978 11762 1 15 . 1 1 119 119 ASN C C 119 173.500 173.500 174.227 -0.727 18978 11763 1 15 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.680 -0.200 18978 11764 1 15 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.034 0.156 18978 11765 1 15 . 1 1 120 120 LEU N N 120 120.200 120.200 121.849 -1.649 18978 11766 1 15 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.120 -0.290 18978 11767 1 15 . 1 1 120 120 LEU C C 120 175.000 175.000 176.233 -1.233 18978 11768 1 15 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.249 0.021 18978 11769 1 15 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.219 0.551 18978 11770 1 15 . 1 1 120 120 LEU H H 120 6.900 6.900 7.696 -0.796 18978 11771 1 15 . 1 1 121 121 ASN N N 121 124.200 124.200 124.587 -0.387 18978 11772 1 15 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.922 -0.032 18978 11773 1 15 . 1 1 121 121 ASN C C 121 174.300 174.300 174.793 -0.493 18978 11774 1 15 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.309 -0.429 18978 11775 1 15 . 1 1 121 121 ASN CB C 121 40.440 40.440 39.896 0.544 18978 11776 1 15 . 1 1 121 121 ASN H H 121 8.900 8.900 8.644 0.256 18978 11777 1 15 . 1 1 122 122 LYS N N 122 115.100 115.100 119.865 -4.765 18978 11778 1 15 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.577 -0.107 18978 11779 1 15 . 1 1 122 122 LYS C C 122 172.500 172.500 174.083 -1.583 18978 11780 1 15 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.596 0.104 18978 11781 1 15 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.558 -0.898 18978 11782 1 15 . 1 1 122 122 LYS H H 122 7.410 7.410 7.796 -0.386 18978 11783 1 15 . 1 1 123 123 VAL N N 123 121.500 121.500 121.548 -0.048 18978 11784 1 15 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.491 0.329 18978 11785 1 15 . 1 1 123 123 VAL C C 123 173.400 173.400 174.869 -1.469 18978 11786 1 15 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.206 -0.516 18978 11787 1 15 . 1 1 123 123 VAL CB C 123 34.150 34.150 32.920 1.230 18978 11788 1 15 . 1 1 123 123 VAL H H 123 7.730 7.730 8.412 -0.682 18978 11789 1 15 . 1 1 124 124 LEU N N 124 126.600 126.600 129.691 -3.091 18978 11790 1 15 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.857 -0.137 18978 11791 1 15 . 1 1 124 124 LEU C C 124 174.200 174.200 174.553 -0.353 18978 11792 1 15 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.077 -0.697 18978 11793 1 15 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.615 -0.505 18978 11794 1 15 . 1 1 124 124 LEU H H 124 9.060 9.060 8.535 0.525 18978 11795 1 15 . 1 1 125 125 VAL N N 125 120.300 120.300 123.937 -3.637 18978 11796 1 15 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.554 0.116 18978 11797 1 15 . 1 1 125 125 VAL C C 125 174.700 174.700 175.230 -0.530 18978 11798 1 15 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.959 -0.668 18978 11799 1 15 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.918 0.332 18978 11800 1 15 . 1 1 125 125 VAL H H 125 8.030 8.030 8.406 -0.376 18978 11801 1 15 . 1 1 126 126 ARG N N 126 127.100 127.100 126.043 1.057 18978 11802 1 15 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.752 -0.282 18978 11803 1 15 . 1 1 126 126 ARG C C 126 174.400 174.400 175.712 -1.312 18978 11804 1 15 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.477 2.353 18978 11805 1 15 . 1 1 126 126 ARG CB C 126 31.300 31.300 30.911 0.389 18978 11806 1 15 . 1 1 126 126 ARG H H 126 8.630 8.630 8.423 0.207 18978 11807 1 15 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.366 -0.076 18978 11808 1 15 . 1 1 127 127 ASN C C 127 172.600 172.600 175.198 -2.598 18978 11809 1 15 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.329 -0.269 18978 11810 1 15 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.453 -0.503 18978 11811 1 15 . 1 1 128 128 ASP N N 128 117.600 117.600 120.959 -3.359 18978 11812 1 15 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.686 -0.236 18978 11813 1 15 . 1 1 128 128 ASP C C 128 174.000 174.000 175.620 -1.620 18978 11814 1 15 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.796 -0.276 18978 11815 1 15 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.846 -2.036 18978 11816 1 15 . 1 1 128 128 ASP H H 128 8.560 8.560 8.303 0.257 18978 11817 1 15 . 1 1 129 129 LEU N N 129 121.500 121.500 120.900 0.600 18978 11818 1 15 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.605 0.465 18978 11819 1 15 . 1 1 129 129 LEU C C 129 174.800 174.800 174.948 -0.148 18978 11820 1 15 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.455 -0.655 18978 11821 1 15 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.175 0.945 18978 11822 1 15 . 1 1 129 129 LEU H H 129 7.730 7.730 7.921 -0.191 18978 11823 1 15 . 1 1 130 130 VAL N N 130 120.600 120.600 123.030 -2.430 18978 11824 1 15 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.423 0.287 18978 11825 1 15 . 1 1 130 130 VAL C C 130 173.500 173.500 174.400 -0.900 18978 11826 1 15 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.366 -0.846 18978 11827 1 15 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.137 -0.387 18978 11828 1 15 . 1 1 130 130 VAL H H 130 8.410 8.410 8.202 0.208 18978 11829 1 15 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.752 -0.152 18978 11830 1 15 . 1 1 131 131 VAL CA C 131 60.590 60.590 61.063 -0.473 18978 11831 1 15 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.377 -1.517 18978 11832 1 15 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.380 -0.080 18978 11833 1 15 . 1 1 132 132 ILE C C 132 174.900 174.900 174.335 0.565 18978 11834 1 15 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.182 0.298 18978 11835 1 15 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.511 -0.461 18978 11836 1 15 . 1 1 133 133 ILE N N 133 126.200 126.200 127.186 -0.986 18978 11837 1 15 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.469 0.201 18978 11838 1 15 . 1 1 133 133 ILE C C 133 174.200 174.200 174.173 0.027 18978 11839 1 15 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.556 1.374 18978 11840 1 15 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.864 1.256 18978 11841 1 15 . 1 1 133 133 ILE H H 133 8.490 8.490 8.567 -0.077 18978 11842 1 15 . 1 1 134 134 ASP N N 134 130.100 130.100 125.557 4.543 18978 11843 1 15 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.340 -0.390 18978 11844 1 15 . 1 1 134 134 ASP C C 134 174.600 174.600 176.606 -2.006 18978 11845 1 15 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.075 0.315 18978 11846 1 15 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.892 -0.523 18978 11847 1 15 . 1 1 134 134 ASP H H 134 8.360 8.360 8.294 0.066 18978 11848 1 15 . 1 1 135 135 GLU N N 135 118.000 118.000 120.796 -2.796 18978 11849 1 15 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.942 0.268 18978 11850 1 15 . 1 1 135 135 GLU C C 135 176.200 176.200 177.195 -0.995 18978 11851 1 15 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.177 -0.427 18978 11852 1 15 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.765 0.525 18978 11853 1 15 . 1 1 135 135 GLU H H 135 7.840 7.840 8.535 -0.695 18978 11854 1 15 . 1 1 136 136 GLN N N 136 115.200 115.200 114.238 0.962 18978 11855 1 15 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.357 0.513 18978 11856 1 15 . 1 1 136 136 GLN C C 136 174.900 174.900 175.526 -0.626 18978 11857 1 15 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.300 -0.800 18978 11858 1 15 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.623 0.307 18978 11859 1 15 . 1 1 136 136 GLN H H 136 8.860 8.860 7.931 0.929 18978 11860 1 15 . 1 1 137 137 LYS N N 137 118.100 118.100 118.296 -0.196 18978 11861 1 15 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.529 0.381 18978 11862 1 15 . 1 1 137 137 LYS C C 137 172.400 172.400 174.033 -1.633 18978 11863 1 15 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.074 0.826 18978 11864 1 15 . 1 1 137 137 LYS CB C 137 35.540 35.540 36.137 -0.597 18978 11865 1 15 . 1 1 137 137 LYS H H 137 8.260 8.260 7.973 0.287 18978 11866 1 15 . 1 1 138 138 LEU N N 138 123.500 123.500 124.142 -0.642 18978 11867 1 15 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.788 0.072 18978 11868 1 15 . 1 1 138 138 LEU C C 138 174.400 174.400 176.120 -1.720 18978 11869 1 15 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.717 -0.207 18978 11870 1 15 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.416 0.544 18978 11871 1 15 . 1 1 138 138 LEU H H 138 8.410 8.410 8.561 -0.151 18978 11872 1 15 . 1 1 139 139 THR N N 139 123.600 123.600 123.705 -0.105 18978 11873 1 15 . 1 1 139 139 THR HA H 139 4.830 4.830 4.610 0.220 18978 11874 1 15 . 1 1 139 139 THR C C 139 171.400 171.400 172.563 -1.163 18978 11875 1 15 . 1 1 139 139 THR CA C 139 62.240 62.240 62.147 0.094 18978 11876 1 15 . 1 1 139 139 THR CB C 139 70.120 70.120 70.148 -0.028 18978 11877 1 15 . 1 1 139 139 THR H H 139 8.820 8.820 8.381 0.439 18978 11878 1 15 . 1 1 140 140 LEU N N 140 130.500 130.500 129.281 1.219 18978 11879 1 15 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.632 0.398 18978 11880 1 15 . 1 1 140 140 LEU C C 140 173.700 173.700 175.277 -1.577 18978 11881 1 15 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.395 -1.015 18978 11882 1 15 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.058 0.832 18978 11883 1 15 . 1 1 140 140 LEU H H 140 9.250 9.250 8.635 0.615 18978 11884 1 15 . 1 1 141 141 ILE N N 141 127.300 127.300 128.395 -1.095 18978 11885 1 15 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.365 0.295 18978 11886 1 15 . 1 1 141 141 ILE C C 141 174.200 174.200 174.430 -0.230 18978 11887 1 15 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.553 -1.043 18978 11888 1 15 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.867 -1.017 18978 11889 1 15 . 1 1 141 141 ILE H H 141 9.140 9.140 8.652 0.488 18978 11890 1 15 . 1 1 142 142 ARG N N 142 126.500 126.500 127.057 -0.557 18978 11891 1 15 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.621 0.259 18978 11892 1 15 . 1 1 142 142 ARG C C 142 175.100 175.100 175.778 -0.678 18978 11893 1 15 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.344 -0.804 18978 11894 1 15 . 1 1 142 142 ARG CB C 142 31.500 31.500 32.023 -0.522 18978 11895 1 15 . 1 1 142 142 ARG H H 142 8.550 8.550 8.742 -0.192 18978 11896 1 16 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.136 -0.136 18978 11897 1 16 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.527 0.623 18978 11898 1 16 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.015 0.375 18978 11899 1 16 . 1 1 -1 -1 VAL N N -1 119.730 119.730 120.858 -1.128 18978 11900 1 16 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.178 -0.138 18978 11901 1 16 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.920 -0.040 18978 11902 1 16 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.144 -0.034 18978 11903 1 16 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.731 0.029 18978 11904 1 16 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.165 -0.295 18978 11905 1 16 . 1 1 0 0 ILE N N 0 125.570 125.570 126.497 -0.927 18978 11906 1 16 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.464 -0.374 18978 11907 1 16 . 1 1 0 0 ILE C C 0 175.850 175.850 175.579 0.271 18978 11908 1 16 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.355 0.445 18978 11909 1 16 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.284 -0.814 18978 11910 1 16 . 1 1 0 0 ILE H H 0 8.230 8.230 8.267 -0.037 18978 11911 1 16 . 1 1 1 1 MET N N 1 125.930 125.930 123.892 2.038 18978 11912 1 16 . 1 1 1 1 MET HA H 1 4.540 4.540 4.841 -0.301 18978 11913 1 16 . 1 1 1 1 MET C C 1 174.830 174.830 175.705 -0.875 18978 11914 1 16 . 1 1 1 1 MET CA C 1 54.790 54.790 55.190 -0.400 18978 11915 1 16 . 1 1 1 1 MET CB C 1 32.640 32.640 33.583 -0.943 18978 11916 1 16 . 1 1 1 1 MET H H 1 8.370 8.370 8.366 0.004 18978 11917 1 16 . 1 1 2 2 SER N N 2 116.400 116.400 117.794 -1.394 18978 11918 1 16 . 1 1 2 2 SER HA H 2 5.030 5.030 5.125 -0.095 18978 11919 1 16 . 1 1 2 2 SER C C 2 174.330 174.330 174.002 0.328 18978 11920 1 16 . 1 1 2 2 SER CA C 2 57.320 57.320 57.283 0.037 18978 11921 1 16 . 1 1 2 2 SER CB C 2 64.790 64.790 65.635 -0.845 18978 11922 1 16 . 1 1 2 2 SER H H 2 7.990 7.990 8.534 -0.544 18978 11923 1 16 . 1 1 3 3 GLU N N 3 123.670 123.670 123.431 0.239 18978 11924 1 16 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.367 -0.117 18978 11925 1 16 . 1 1 3 3 GLU C C 3 172.980 172.980 174.159 -1.179 18978 11926 1 16 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.590 -0.200 18978 11927 1 16 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.737 -0.827 18978 11928 1 16 . 1 1 3 3 GLU H H 3 9.430 9.430 8.811 0.619 18978 11929 1 16 . 1 1 4 4 LEU N N 4 125.350 125.350 124.931 0.419 18978 11930 1 16 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.895 -0.025 18978 11931 1 16 . 1 1 4 4 LEU C C 4 174.000 174.000 174.516 -0.516 18978 11932 1 16 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.903 -0.883 18978 11933 1 16 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.737 0.303 18978 11934 1 16 . 1 1 4 4 LEU H H 4 8.930 8.930 8.648 0.282 18978 11935 1 16 . 1 1 5 5 LYS N N 5 124.640 124.640 126.890 -2.250 18978 11936 1 16 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.949 0.411 18978 11937 1 16 . 1 1 5 5 LYS C C 5 175.660 175.660 175.352 0.308 18978 11938 1 16 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.224 -0.284 18978 11939 1 16 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.825 0.455 18978 11940 1 16 . 1 1 5 5 LYS H H 5 8.840 8.840 8.345 0.495 18978 11941 1 16 . 1 1 6 6 LEU N N 6 123.460 123.460 124.850 -1.390 18978 11942 1 16 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.144 0.286 18978 11943 1 16 . 1 1 6 6 LEU C C 6 174.630 174.630 175.282 -0.652 18978 11944 1 16 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.254 -0.354 18978 11945 1 16 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.355 1.556 18978 11946 1 16 . 1 1 6 6 LEU H H 6 8.820 8.820 8.290 0.529 18978 11947 1 16 . 1 1 7 7 LYS N N 7 122.230 122.230 121.642 0.588 18978 11948 1 16 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.955 0.535 18978 11949 1 16 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.669 -0.399 18978 11950 1 16 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.599 0.901 18978 11951 1 16 . 1 1 7 7 LYS H H 7 9.110 9.110 8.372 0.738 18978 11952 1 16 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.219 -1.119 18978 11953 1 16 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.570 -0.130 18978 11954 1 16 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.962 -2.322 18978 11955 1 16 . 1 1 9 9 LEU N N 9 123.250 123.250 122.458 0.792 18978 11956 1 16 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.387 -0.067 18978 11957 1 16 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.919 0.761 18978 11958 1 16 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.094 -1.335 18978 11959 1 16 . 1 1 9 9 LEU H H 9 8.490 8.490 8.079 0.411 18978 11960 1 16 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.449 0.081 18978 11961 1 16 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.065 0.815 18978 11962 1 16 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.288 -0.868 18978 11963 1 16 . 1 1 11 11 LYS N N 11 119.160 119.160 122.594 -3.434 18978 11964 1 16 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.380 -0.270 18978 11965 1 16 . 1 1 11 11 LYS C C 11 175.680 175.680 176.125 -0.445 18978 11966 1 16 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.173 0.037 18978 11967 1 16 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.340 -0.680 18978 11968 1 16 . 1 1 11 11 LYS H H 11 8.180 8.180 8.449 -0.269 18978 11969 1 16 . 1 1 12 12 VAL N N 12 121.820 121.820 122.296 -0.476 18978 11970 1 16 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.404 -0.124 18978 11971 1 16 . 1 1 12 12 VAL C C 12 173.690 173.690 174.347 -0.657 18978 11972 1 16 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.855 -1.025 18978 11973 1 16 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.788 -0.238 18978 11974 1 16 . 1 1 12 12 VAL H H 12 7.530 7.530 7.960 -0.430 18978 11975 1 16 . 1 1 13 13 GLU N N 13 125.610 125.610 125.847 -0.237 18978 11976 1 16 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.455 -0.125 18978 11977 1 16 . 1 1 13 13 GLU C C 13 175.390 175.390 175.865 -0.475 18978 11978 1 16 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.849 -0.629 18978 11979 1 16 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.451 -0.481 18978 11980 1 16 . 1 1 13 13 GLU H H 13 8.270 8.270 8.399 -0.129 18978 11981 1 16 . 1 1 14 14 LEU N N 14 125.880 125.880 127.398 -1.518 18978 11982 1 16 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.537 -0.017 18978 11983 1 16 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.220 -0.560 18978 11984 1 16 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.883 -0.133 18978 11985 1 16 . 1 1 14 14 LEU H H 14 8.480 8.480 8.353 0.127 18978 11986 1 16 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.604 0.156 18978 11987 1 16 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.942 -0.612 18978 11988 1 16 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.334 -0.274 18978 11989 1 16 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.229 0.161 18978 11990 1 16 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.162 -0.612 18978 11991 1 16 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.824 -0.054 18978 11992 1 16 . 1 1 17 17 ASP N N 17 115.820 115.820 115.652 0.168 18978 11993 1 16 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.748 -0.128 18978 11994 1 16 . 1 1 17 17 ASP C C 17 177.100 177.100 177.003 0.097 18978 11995 1 16 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.141 -0.251 18978 11996 1 16 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.987 0.133 18978 11997 1 16 . 1 1 17 17 ASP H H 17 8.560 8.560 8.765 -0.205 18978 11998 1 16 . 1 1 18 18 PHE N N 18 119.610 119.610 122.228 -2.618 18978 11999 1 16 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.139 0.041 18978 12000 1 16 . 1 1 18 18 PHE C C 18 176.740 176.740 176.667 0.073 18978 12001 1 16 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.803 -0.783 18978 12002 1 16 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.362 -0.132 18978 12003 1 16 . 1 1 18 18 PHE H H 18 7.940 7.940 7.736 0.204 18978 12004 1 16 . 1 1 19 19 VAL N N 19 116.370 116.370 117.724 -1.354 18978 12005 1 16 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.588 -0.238 18978 12006 1 16 . 1 1 19 19 VAL C C 19 176.400 176.400 177.904 -1.504 18978 12007 1 16 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.651 -0.141 18978 12008 1 16 . 1 1 19 19 VAL CB C 19 31.020 31.020 30.767 0.253 18978 12009 1 16 . 1 1 19 19 VAL H H 19 8.010 8.010 8.165 -0.155 18978 12010 1 16 . 1 1 20 20 ASP N N 20 119.190 119.190 120.175 -0.985 18978 12011 1 16 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.351 -0.041 18978 12012 1 16 . 1 1 20 20 ASP C C 20 178.360 178.360 178.975 -0.615 18978 12013 1 16 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.670 -0.560 18978 12014 1 16 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.199 0.251 18978 12015 1 16 . 1 1 20 20 ASP H H 20 7.420 7.420 7.499 -0.079 18978 12016 1 16 . 1 1 21 21 VAL N N 21 119.830 119.830 120.338 -0.508 18978 12017 1 16 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.611 -0.101 18978 12018 1 16 . 1 1 21 21 VAL C C 21 178.100 178.100 177.868 0.232 18978 12019 1 16 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.227 -0.657 18978 12020 1 16 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.425 -0.015 18978 12021 1 16 . 1 1 21 21 VAL H H 21 7.190 7.190 7.391 -0.201 18978 12022 1 16 . 1 1 22 22 ILE N N 22 118.490 118.490 119.227 -0.737 18978 12023 1 16 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.489 -0.319 18978 12024 1 16 . 1 1 22 22 ILE C C 22 176.660 176.660 178.083 -1.423 18978 12025 1 16 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.854 1.366 18978 12026 1 16 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.244 1.256 18978 12027 1 16 . 1 1 22 22 ILE H H 22 7.660 7.660 7.551 0.109 18978 12028 1 16 . 1 1 23 23 ARG N N 23 118.260 118.260 120.182 -1.922 18978 12029 1 16 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.849 -0.469 18978 12030 1 16 . 1 1 23 23 ARG C C 23 178.060 178.060 178.805 -0.745 18978 12031 1 16 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.130 0.440 18978 12032 1 16 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.202 -0.132 18978 12033 1 16 . 1 1 23 23 ARG H H 23 7.830 7.830 7.731 0.099 18978 12034 1 16 . 1 1 24 24 ILE N N 24 116.750 116.750 119.093 -2.343 18978 12035 1 16 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.760 -0.040 18978 12036 1 16 . 1 1 24 24 ILE C C 24 179.090 179.090 178.073 1.017 18978 12037 1 16 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.588 -0.528 18978 12038 1 16 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.860 0.170 18978 12039 1 16 . 1 1 24 24 ILE H H 24 7.350 7.350 7.654 -0.304 18978 12040 1 16 . 1 1 25 25 LYS N N 25 118.700 118.700 117.843 0.857 18978 12041 1 16 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.015 0.075 18978 12042 1 16 . 1 1 25 25 LYS C C 25 178.560 178.560 178.165 0.395 18978 12043 1 16 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.046 -1.396 18978 12044 1 16 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.886 -0.796 18978 12045 1 16 . 1 1 25 25 LYS H H 25 7.880 7.880 7.635 0.245 18978 12046 1 16 . 1 1 26 26 LEU N N 26 116.380 116.380 117.244 -0.864 18978 12047 1 16 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.217 0.013 18978 12048 1 16 . 1 1 26 26 LEU C C 26 175.880 175.880 177.039 -1.159 18978 12049 1 16 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.684 -1.595 18978 12050 1 16 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.953 0.357 18978 12051 1 16 . 1 1 26 26 LEU H H 26 7.860 7.860 7.881 -0.021 18978 12052 1 16 . 1 1 27 27 GLN N N 27 119.210 119.210 117.288 1.922 18978 12053 1 16 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.852 -0.322 18978 12054 1 16 . 1 1 27 27 GLN C C 27 177.480 177.480 177.114 0.366 18978 12055 1 16 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.392 0.978 18978 12056 1 16 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.624 -0.324 18978 12057 1 16 . 1 1 27 27 GLN H H 27 7.190 7.190 7.562 -0.372 18978 12058 1 16 . 1 1 28 28 GLY N N 28 113.490 113.490 113.810 -0.320 18978 12059 1 16 . 1 1 28 28 GLY C C 28 174.070 174.070 174.351 -0.281 18978 12060 1 16 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.918 0.362 18978 12061 1 16 . 1 1 28 28 GLY H H 28 8.940 8.940 8.660 0.280 18978 12062 1 16 . 1 1 29 29 LYS N N 29 122.060 122.060 122.190 -0.130 18978 12063 1 16 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.611 -0.211 18978 12064 1 16 . 1 1 29 29 LYS C C 29 175.560 175.560 175.690 -0.130 18978 12065 1 16 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.209 0.451 18978 12066 1 16 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.035 -1.165 18978 12067 1 16 . 1 1 29 29 LYS H H 29 8.350 8.350 7.964 0.386 18978 12068 1 16 . 1 1 30 30 THR N N 30 118.150 118.150 116.990 1.160 18978 12069 1 16 . 1 1 30 30 THR HA H 30 5.330 5.330 5.166 0.164 18978 12070 1 16 . 1 1 30 30 THR C C 30 174.860 174.860 174.364 0.496 18978 12071 1 16 . 1 1 30 30 THR CA C 30 62.040 62.040 61.297 0.743 18978 12072 1 16 . 1 1 30 30 THR CB C 30 69.420 69.420 70.109 -0.689 18978 12073 1 16 . 1 1 30 30 THR H H 30 8.410 8.410 8.286 0.124 18978 12074 1 16 . 1 1 31 31 VAL N N 31 122.510 122.510 119.961 2.549 18978 12075 1 16 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.610 -0.040 18978 12076 1 16 . 1 1 31 31 VAL C C 31 172.970 172.970 173.426 -0.456 18978 12077 1 16 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.826 -0.376 18978 12078 1 16 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.161 0.719 18978 12079 1 16 . 1 1 31 31 VAL H H 31 9.140 9.140 8.781 0.359 18978 12080 1 16 . 1 1 32 32 ARG N N 32 120.640 120.640 123.553 -2.913 18978 12081 1 16 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.782 -0.032 18978 12082 1 16 . 1 1 32 32 ARG C C 32 175.650 175.650 175.399 0.251 18978 12083 1 16 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.195 -0.545 18978 12084 1 16 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.543 -0.673 18978 12085 1 16 . 1 1 32 32 ARG H H 32 8.420 8.420 8.969 -0.549 18978 12086 1 16 . 1 1 33 33 THR N N 33 118.590 118.590 119.298 -0.708 18978 12087 1 16 . 1 1 33 33 THR HA H 33 3.410 3.410 3.783 -0.373 18978 12088 1 16 . 1 1 33 33 THR C C 33 175.020 175.020 175.499 -0.479 18978 12089 1 16 . 1 1 33 33 THR CA C 33 65.660 65.660 65.055 0.605 18978 12090 1 16 . 1 1 33 33 THR CB C 33 69.400 69.400 68.681 0.719 18978 12091 1 16 . 1 1 33 33 THR H H 33 8.370 8.370 8.568 -0.198 18978 12092 1 16 . 1 1 34 34 GLY N N 34 117.350 117.350 115.585 1.765 18978 12093 1 16 . 1 1 34 34 GLY C C 34 174.350 174.350 174.534 -0.184 18978 12094 1 16 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.819 0.181 18978 12095 1 16 . 1 1 34 34 GLY H H 34 9.090 9.090 8.588 0.502 18978 12096 1 16 . 1 1 35 35 ASP N N 35 122.240 122.240 123.464 -1.224 18978 12097 1 16 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.654 -0.184 18978 12098 1 16 . 1 1 35 35 ASP C C 35 174.570 174.570 175.322 -0.752 18978 12099 1 16 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.555 0.015 18978 12100 1 16 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.977 -0.297 18978 12101 1 16 . 1 1 35 35 ASP H H 35 8.010 8.010 7.826 0.184 18978 12102 1 16 . 1 1 36 36 VAL N N 36 119.860 119.860 120.607 -0.747 18978 12103 1 16 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.680 0.270 18978 12104 1 16 . 1 1 36 36 VAL C C 36 176.330 176.330 175.772 0.558 18978 12105 1 16 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.263 0.447 18978 12106 1 16 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.595 -0.695 18978 12107 1 16 . 1 1 36 36 VAL H H 36 8.330 8.330 8.249 0.081 18978 12108 1 16 . 1 1 37 37 ILE N N 37 124.990 124.990 128.031 -3.041 18978 12109 1 16 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.508 0.122 18978 12110 1 16 . 1 1 37 37 ILE C C 37 174.400 174.400 174.837 -0.437 18978 12111 1 16 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.417 -1.427 18978 12112 1 16 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.296 0.514 18978 12113 1 16 . 1 1 37 37 ILE H H 37 9.160 9.160 8.663 0.497 18978 12114 1 16 . 1 1 38 38 GLY N N 38 112.060 112.060 112.969 -0.909 18978 12115 1 16 . 1 1 38 38 GLY C C 38 172.920 172.920 173.567 -0.647 18978 12116 1 16 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.307 0.273 18978 12117 1 16 . 1 1 38 38 GLY H H 38 8.660 8.660 8.428 0.232 18978 12118 1 16 . 1 1 39 39 ILE N N 39 123.220 123.220 124.213 -0.993 18978 12119 1 16 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.449 -0.079 18978 12120 1 16 . 1 1 39 39 ILE C C 39 174.500 174.500 175.372 -0.872 18978 12121 1 16 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.492 -0.942 18978 12122 1 16 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.508 -0.208 18978 12123 1 16 . 1 1 39 39 ILE H H 39 8.810 8.810 8.054 0.756 18978 12124 1 16 . 1 1 40 40 SER N N 40 121.430 121.430 122.523 -1.093 18978 12125 1 16 . 1 1 40 40 SER HA H 40 4.830 4.830 4.723 0.107 18978 12126 1 16 . 1 1 40 40 SER C C 40 174.130 174.130 174.020 0.110 18978 12127 1 16 . 1 1 40 40 SER CA C 40 57.770 57.770 57.973 -0.203 18978 12128 1 16 . 1 1 40 40 SER CB C 40 63.040 63.040 63.597 -0.557 18978 12129 1 16 . 1 1 40 40 SER H H 40 8.540 8.540 8.681 -0.141 18978 12130 1 16 . 1 1 41 41 ILE N N 41 127.060 127.060 127.206 -0.146 18978 12131 1 16 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.340 -0.050 18978 12132 1 16 . 1 1 41 41 ILE C C 41 175.280 175.280 175.437 -0.157 18978 12133 1 16 . 1 1 41 41 ILE CA C 41 60.250 60.250 61.016 -0.766 18978 12134 1 16 . 1 1 41 41 ILE CB C 41 39.840 39.840 39.908 -0.068 18978 12135 1 16 . 1 1 41 41 ILE H H 41 8.930 8.930 8.375 0.555 18978 12136 1 16 . 1 1 42 42 LEU N N 42 126.770 126.770 129.801 -3.031 18978 12137 1 16 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.984 -0.094 18978 12138 1 16 . 1 1 42 42 LEU C C 42 177.130 177.130 177.249 -0.119 18978 12139 1 16 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.695 -0.135 18978 12140 1 16 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.564 -1.194 18978 12141 1 16 . 1 1 42 42 LEU H H 42 9.380 9.380 8.971 0.409 18978 12142 1 16 . 1 1 43 43 GLY N N 43 103.820 103.820 104.089 -0.269 18978 12143 1 16 . 1 1 43 43 GLY C C 43 173.690 173.690 173.814 -0.124 18978 12144 1 16 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.945 0.395 18978 12145 1 16 . 1 1 43 43 GLY H H 43 8.310 8.310 8.410 -0.100 18978 12146 1 16 . 1 1 44 44 LYS N N 44 121.160 121.160 122.808 -1.648 18978 12147 1 16 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.484 0.076 18978 12148 1 16 . 1 1 44 44 LYS C C 44 174.550 174.550 175.135 -0.585 18978 12149 1 16 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.322 -1.183 18978 12150 1 16 . 1 1 44 44 LYS CB C 44 34.620 34.620 33.749 0.871 18978 12151 1 16 . 1 1 44 44 LYS H H 44 7.730 7.730 7.607 0.123 18978 12152 1 16 . 1 1 45 45 GLU N N 45 124.090 124.090 127.859 -3.769 18978 12153 1 16 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.400 -0.120 18978 12154 1 16 . 1 1 45 45 GLU C C 45 175.730 175.730 175.335 0.395 18978 12155 1 16 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.057 0.673 18978 12156 1 16 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.803 -0.733 18978 12157 1 16 . 1 1 45 45 GLU H H 45 8.490 8.490 8.731 -0.241 18978 12158 1 16 . 1 1 46 46 VAL N N 46 129.960 129.960 126.882 3.078 18978 12159 1 16 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.282 -0.252 18978 12160 1 16 . 1 1 46 46 VAL C C 46 174.610 174.610 173.599 1.011 18978 12161 1 16 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.145 1.535 18978 12162 1 16 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.727 0.153 18978 12163 1 16 . 1 1 46 46 VAL H H 46 8.920 8.920 8.357 0.563 18978 12164 1 16 . 1 1 47 47 LYS N N 47 124.790 124.790 128.045 -3.255 18978 12165 1 16 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.654 0.466 18978 12166 1 16 . 1 1 47 47 LYS C C 47 175.380 175.380 175.379 0.001 18978 12167 1 16 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.203 -0.003 18978 12168 1 16 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.664 1.006 18978 12169 1 16 . 1 1 47 47 LYS H H 47 7.860 7.860 8.424 -0.564 18978 12170 1 16 . 1 1 48 48 PHE N N 48 118.270 118.270 123.786 -5.516 18978 12171 1 16 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.163 -0.203 18978 12172 1 16 . 1 1 48 48 PHE C C 48 173.950 173.950 174.882 -0.932 18978 12173 1 16 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.774 0.136 18978 12174 1 16 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.361 1.589 18978 12175 1 16 . 1 1 48 48 PHE H H 48 9.270 9.270 8.665 0.605 18978 12176 1 16 . 1 1 49 49 LYS N N 49 121.960 121.960 123.196 -1.236 18978 12177 1 16 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.853 0.057 18978 12178 1 16 . 1 1 49 49 LYS C C 49 176.230 176.230 175.679 0.551 18978 12179 1 16 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.422 -0.512 18978 12180 1 16 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.834 -0.664 18978 12181 1 16 . 1 1 49 49 LYS H H 49 9.170 9.170 8.667 0.503 18978 12182 1 16 . 1 1 50 50 VAL N N 50 127.140 127.140 128.038 -0.898 18978 12183 1 16 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.943 0.227 18978 12184 1 16 . 1 1 50 50 VAL C C 50 175.500 175.500 175.954 -0.454 18978 12185 1 16 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.719 -1.739 18978 12186 1 16 . 1 1 50 50 VAL CB C 50 29.490 29.490 31.054 -1.564 18978 12187 1 16 . 1 1 50 50 VAL H H 50 9.400 9.400 8.289 1.111 18978 12188 1 16 . 1 1 51 51 VAL N N 51 132.840 132.840 127.805 5.035 18978 12189 1 16 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.902 -0.252 18978 12190 1 16 . 1 1 51 51 VAL C C 51 176.440 176.440 175.993 0.447 18978 12191 1 16 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.453 -0.523 18978 12192 1 16 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.210 -0.080 18978 12193 1 16 . 1 1 51 51 VAL H H 51 8.390 8.390 8.304 0.086 18978 12194 1 16 . 1 1 52 52 GLN N N 52 114.500 114.500 116.087 -1.587 18978 12195 1 16 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.480 -0.210 18978 12196 1 16 . 1 1 52 52 GLN C C 52 172.290 172.290 173.486 -1.196 18978 12197 1 16 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.319 1.321 18978 12198 1 16 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.490 0.140 18978 12199 1 16 . 1 1 52 52 GLN H H 52 7.470 7.470 7.481 -0.011 18978 12200 1 16 . 1 1 53 53 ALA N N 53 131.410 131.410 128.699 2.711 18978 12201 1 16 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.840 -0.010 18978 12202 1 16 . 1 1 53 53 ALA C C 53 174.270 174.270 175.180 -0.910 18978 12203 1 16 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.516 0.284 18978 12204 1 16 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.828 -1.728 18978 12205 1 16 . 1 1 53 53 ALA H H 53 8.200 8.200 8.504 -0.304 18978 12206 1 16 . 1 1 54 54 TYR N N 54 124.140 124.140 125.203 -1.063 18978 12207 1 16 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.974 -0.434 18978 12208 1 16 . 1 1 54 54 TYR CA C 54 54.270 54.270 54.801 -0.531 18978 12209 1 16 . 1 1 54 54 TYR CB C 54 41.360 41.360 41.723 -0.363 18978 12210 1 16 . 1 1 54 54 TYR H H 54 8.860 8.860 8.670 0.190 18978 12211 1 16 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.313 -0.193 18978 12212 1 16 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.440 1.010 18978 12213 1 16 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.943 1.227 18978 12214 1 16 . 1 1 56 56 SER N N 56 106.200 106.200 114.268 -8.068 18978 12215 1 16 . 1 1 56 56 SER HA H 56 4.720 4.720 4.852 -0.132 18978 12216 1 16 . 1 1 56 56 SER CA C 56 54.250 54.250 56.157 -1.907 18978 12217 1 16 . 1 1 56 56 SER CB C 56 64.530 64.530 64.299 0.230 18978 12218 1 16 . 1 1 56 56 SER H H 56 7.380 7.380 8.095 -0.715 18978 12219 1 16 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.429 0.451 18978 12220 1 16 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.820 0.170 18978 12221 1 16 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.660 2.559 18978 12222 1 16 . 1 1 58 58 LEU N N 58 120.480 120.480 123.444 -2.964 18978 12223 1 16 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.690 -0.260 18978 12224 1 16 . 1 1 58 58 LEU C C 58 174.570 174.570 175.336 -0.766 18978 12225 1 16 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.012 -0.112 18978 12226 1 16 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.415 -1.205 18978 12227 1 16 . 1 1 58 58 LEU H H 58 8.960 8.960 8.375 0.585 18978 12228 1 16 . 1 1 59 59 ARG N N 59 125.180 125.180 126.044 -0.864 18978 12229 1 16 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.533 0.397 18978 12230 1 16 . 1 1 59 59 ARG C C 59 175.460 175.460 175.590 -0.130 18978 12231 1 16 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.146 -1.106 18978 12232 1 16 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.333 -0.783 18978 12233 1 16 . 1 1 59 59 ARG H H 59 8.130 8.130 8.605 -0.475 18978 12234 1 16 . 1 1 60 60 VAL N N 60 128.170 128.170 128.551 -0.381 18978 12235 1 16 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.959 -0.549 18978 12236 1 16 . 1 1 60 60 VAL C C 60 175.460 175.460 174.885 0.575 18978 12237 1 16 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.952 1.258 18978 12238 1 16 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.664 -1.824 18978 12239 1 16 . 1 1 60 60 VAL H H 60 8.450 8.450 8.137 0.313 18978 12240 1 16 . 1 1 61 61 GLU N N 61 127.670 127.670 127.476 0.194 18978 12241 1 16 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.587 0.283 18978 12242 1 16 . 1 1 61 61 GLU C C 61 176.960 176.960 176.485 0.475 18978 12243 1 16 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.744 -0.414 18978 12244 1 16 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.316 -0.036 18978 12245 1 16 . 1 1 61 61 GLU H H 61 8.620 8.620 7.791 0.829 18978 12246 1 16 . 1 1 62 62 ASP N N 62 121.140 121.140 121.312 -0.172 18978 12247 1 16 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.287 -0.137 18978 12248 1 16 . 1 1 62 62 ASP C C 62 177.460 177.460 177.048 0.412 18978 12249 1 16 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.636 -0.016 18978 12250 1 16 . 1 1 62 62 ASP CB C 62 40.360 40.360 41.034 -0.674 18978 12251 1 16 . 1 1 62 62 ASP H H 62 8.700 8.700 8.811 -0.111 18978 12252 1 16 . 1 1 63 63 ARG N N 63 112.890 112.890 115.317 -2.427 18978 12253 1 16 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.378 -0.098 18978 12254 1 16 . 1 1 63 63 ARG C C 63 176.510 176.510 176.374 0.136 18978 12255 1 16 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.049 -0.599 18978 12256 1 16 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.692 0.298 18978 12257 1 16 . 1 1 63 63 ARG H H 63 7.760 7.760 8.077 -0.317 18978 12258 1 16 . 1 1 64 64 THR N N 64 120.650 120.650 117.741 2.909 18978 12259 1 16 . 1 1 64 64 THR HA H 64 4.020 4.020 4.562 -0.542 18978 12260 1 16 . 1 1 64 64 THR C C 64 173.810 173.810 174.287 -0.477 18978 12261 1 16 . 1 1 64 64 THR CA C 64 64.060 64.060 62.485 1.575 18978 12262 1 16 . 1 1 64 64 THR CB C 64 69.350 69.350 70.032 -0.682 18978 12263 1 16 . 1 1 64 64 THR H H 64 7.700 7.700 7.621 0.079 18978 12264 1 16 . 1 1 65 65 LYS N N 65 130.950 130.950 127.169 3.781 18978 12265 1 16 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.453 -0.183 18978 12266 1 16 . 1 1 65 65 LYS C C 65 174.560 174.560 175.170 -0.610 18978 12267 1 16 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.078 0.202 18978 12268 1 16 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.625 -0.505 18978 12269 1 16 . 1 1 65 65 LYS H H 65 8.520 8.520 8.418 0.102 18978 12270 1 16 . 1 1 66 66 ILE N N 66 128.020 128.020 124.703 3.317 18978 12271 1 16 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.838 0.012 18978 12272 1 16 . 1 1 66 66 ILE C C 66 174.650 174.650 176.252 -1.602 18978 12273 1 16 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.387 -0.567 18978 12274 1 16 . 1 1 66 66 ILE CB C 66 38.280 38.280 39.717 -1.437 18978 12275 1 16 . 1 1 66 66 ILE H H 66 8.430 8.430 8.581 -0.151 18978 12276 1 16 . 1 1 67 67 THR N N 67 123.870 123.870 123.369 0.501 18978 12277 1 16 . 1 1 67 67 THR HA H 67 4.470 4.470 4.697 -0.227 18978 12278 1 16 . 1 1 67 67 THR C C 67 172.760 172.760 173.089 -0.329 18978 12279 1 16 . 1 1 67 67 THR CA C 67 60.740 60.740 61.083 -0.343 18978 12280 1 16 . 1 1 67 67 THR CB C 67 71.320 71.320 71.447 -0.127 18978 12281 1 16 . 1 1 67 67 THR H H 67 8.870 8.870 8.371 0.499 18978 12282 1 16 . 1 1 68 68 LEU N N 68 127.070 127.070 125.535 1.535 18978 12283 1 16 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.897 0.243 18978 12284 1 16 . 1 1 68 68 LEU C C 68 176.610 176.610 176.847 -0.237 18978 12285 1 16 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.364 -1.083 18978 12286 1 16 . 1 1 68 68 LEU CB C 68 42.600 42.600 42.828 -0.228 18978 12287 1 16 . 1 1 68 68 LEU H H 68 8.820 8.820 8.561 0.259 18978 12288 1 16 . 1 1 69 69 VAL N N 69 124.120 124.120 126.558 -2.438 18978 12289 1 16 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.299 -0.039 18978 12290 1 16 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.546 -0.196 18978 12291 1 16 . 1 1 69 69 VAL CB C 69 32.790 32.790 33.530 -0.740 18978 12292 1 16 . 1 1 69 69 VAL H H 69 8.800 8.800 8.288 0.512 18978 12293 1 16 . 1 1 70 70 THR N N 70 114.500 114.500 120.960 -6.460 18978 12294 1 16 . 1 1 70 70 THR HA H 70 4.410 4.410 4.529 -0.119 18978 12295 1 16 . 1 1 70 70 THR CA C 70 60.800 60.800 63.037 -2.237 18978 12296 1 16 . 1 1 70 70 THR CB C 70 69.650 69.650 69.446 0.204 18978 12297 1 16 . 1 1 70 70 THR H H 70 8.160 8.160 8.367 -0.207 18978 12298 1 16 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.542 -0.612 18978 12299 1 16 . 1 1 72 72 PRO CA C 72 64.520 64.520 62.565 1.955 18978 12300 1 16 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.236 1.904 18978 12301 1 16 . 1 1 73 73 VAL N N 73 117.500 117.500 116.616 0.884 18978 12302 1 16 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.015 0.505 18978 12303 1 16 . 1 1 73 73 VAL C C 73 174.100 174.100 175.712 -1.612 18978 12304 1 16 . 1 1 73 73 VAL CA C 73 60.010 60.010 61.633 -1.623 18978 12305 1 16 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.859 0.471 18978 12306 1 16 . 1 1 73 73 VAL H H 73 7.410 7.410 7.938 -0.528 18978 12307 1 16 . 1 1 74 74 ASP N N 74 124.500 124.500 120.667 3.833 18978 12308 1 16 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.644 0.266 18978 12309 1 16 . 1 1 74 74 ASP C C 74 174.000 174.000 175.560 -1.560 18978 12310 1 16 . 1 1 74 74 ASP CA C 74 53.450 53.450 54.428 -0.978 18978 12311 1 16 . 1 1 74 74 ASP CB C 74 43.350 43.350 40.644 2.706 18978 12312 1 16 . 1 1 74 74 ASP H H 74 8.290 8.290 8.319 -0.029 18978 12313 1 16 . 1 1 75 75 VAL N N 75 122.400 122.400 123.448 -1.048 18978 12314 1 16 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.338 0.352 18978 12315 1 16 . 1 1 75 75 VAL C C 75 174.600 174.600 175.054 -0.454 18978 12316 1 16 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.573 -0.373 18978 12317 1 16 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.462 -0.132 18978 12318 1 16 . 1 1 75 75 VAL H H 75 7.780 7.780 8.406 -0.626 18978 12319 1 16 . 1 1 76 76 LEU N N 76 130.300 130.300 128.845 1.455 18978 12320 1 16 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.656 0.064 18978 12321 1 16 . 1 1 76 76 LEU C C 76 174.400 174.400 175.898 -1.498 18978 12322 1 16 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.483 -0.853 18978 12323 1 16 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.395 0.565 18978 12324 1 16 . 1 1 76 76 LEU H H 76 9.200 9.200 8.465 0.735 18978 12325 1 16 . 1 1 77 77 GLU N N 77 118.600 118.600 120.993 -2.393 18978 12326 1 16 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.656 0.664 18978 12327 1 16 . 1 1 77 77 GLU C C 77 174.900 174.900 175.009 -0.109 18978 12328 1 16 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.840 -1.750 18978 12329 1 16 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.662 2.538 18978 12330 1 16 . 1 1 77 77 GLU H H 77 8.010 8.010 8.538 -0.528 18978 12331 1 16 . 1 1 78 78 ALA N N 78 124.500 124.500 124.898 -0.398 18978 12332 1 16 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.511 0.129 18978 12333 1 16 . 1 1 78 78 ALA C C 78 175.500 175.500 176.647 -1.147 18978 12334 1 16 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.468 -0.788 18978 12335 1 16 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.212 0.598 18978 12336 1 16 . 1 1 78 78 ALA H H 78 8.800 8.800 8.263 0.537 18978 12337 1 16 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.304 0.176 18978 12338 1 16 . 1 1 79 79 LYS C C 79 174.700 174.700 175.744 -1.044 18978 12339 1 16 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.416 -0.316 18978 12340 1 16 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.756 -1.816 18978 12341 1 16 . 1 1 80 80 ILE N N 80 127.300 127.300 125.451 1.849 18978 12342 1 16 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.251 -0.171 18978 12343 1 16 . 1 1 80 80 ILE C C 80 172.700 172.700 174.898 -2.198 18978 12344 1 16 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.257 -0.317 18978 12345 1 16 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.450 2.480 18978 12346 1 16 . 1 1 80 80 ILE H H 80 7.380 7.380 8.451 -1.071 18978 12347 1 16 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.511 -0.231 18978 12348 1 16 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.926 0.194 18978 12349 1 16 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.894 -0.144 18978 12350 1 16 . 1 1 82 82 GLY N N 82 113.000 113.000 112.105 0.895 18978 12351 1 16 . 1 1 82 82 GLY C C 82 174.600 174.600 174.122 0.478 18978 12352 1 16 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.639 2.231 18978 12353 1 16 . 1 1 82 82 GLY H H 82 8.210 8.210 8.726 -0.516 18978 12354 1 16 . 1 1 83 83 ILE N N 83 121.200 121.200 119.021 2.179 18978 12355 1 16 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.848 -0.508 18978 12356 1 16 . 1 1 83 83 ILE C C 83 175.000 175.000 176.362 -1.362 18978 12357 1 16 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.266 2.444 18978 12358 1 16 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.966 -0.476 18978 12359 1 16 . 1 1 83 83 ILE H H 83 8.350 8.350 8.136 0.214 18978 12360 1 16 . 1 1 84 84 LYS N N 84 129.400 129.400 129.266 0.134 18978 12361 1 16 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.323 0.167 18978 12362 1 16 . 1 1 84 84 LYS C C 84 175.000 175.000 176.404 -1.404 18978 12363 1 16 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.999 -0.929 18978 12364 1 16 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.224 0.266 18978 12365 1 16 . 1 1 84 84 LYS H H 84 9.160 9.160 8.769 0.391 18978 12366 1 16 . 1 1 85 85 ASP N N 85 117.500 117.500 117.356 0.144 18978 12367 1 16 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.884 -0.104 18978 12368 1 16 . 1 1 85 85 ASP C C 85 173.200 173.200 173.663 -0.463 18978 12369 1 16 . 1 1 85 85 ASP CA C 85 53.090 53.090 54.089 -0.999 18978 12370 1 16 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.266 -0.776 18978 12371 1 16 . 1 1 85 85 ASP H H 85 7.990 7.990 7.832 0.158 18978 12372 1 16 . 1 1 86 86 VAL N N 86 119.400 119.400 121.908 -2.508 18978 12373 1 16 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.549 0.621 18978 12374 1 16 . 1 1 86 86 VAL C C 86 172.500 172.500 175.217 -2.717 18978 12375 1 16 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.192 -1.442 18978 12376 1 16 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.133 1.027 18978 12377 1 16 . 1 1 86 86 VAL H H 86 8.210 8.210 8.512 -0.302 18978 12378 1 16 . 1 1 87 87 ILE N N 87 127.100 127.100 128.863 -1.763 18978 12379 1 16 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.473 -0.263 18978 12380 1 16 . 1 1 87 87 ILE C C 87 173.600 173.600 174.290 -0.690 18978 12381 1 16 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.464 0.006 18978 12382 1 16 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.732 0.758 18978 12383 1 16 . 1 1 87 87 ILE H H 87 9.190 9.190 8.620 0.570 18978 12384 1 16 . 1 1 88 88 LEU N N 88 125.700 125.700 128.724 -3.024 18978 12385 1 16 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.830 0.210 18978 12386 1 16 . 1 1 88 88 LEU C C 88 174.500 174.500 175.010 -0.510 18978 12387 1 16 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.059 -1.119 18978 12388 1 16 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.778 -1.268 18978 12389 1 16 . 1 1 88 88 LEU H H 88 7.840 7.840 8.401 -0.561 18978 12390 1 16 . 1 1 89 89 ASP N N 89 127.800 127.800 125.210 2.590 18978 12391 1 16 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.909 -0.139 18978 12392 1 16 . 1 1 89 89 ASP C C 89 174.100 174.100 176.262 -2.162 18978 12393 1 16 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.867 -0.248 18978 12394 1 16 . 1 1 89 89 ASP CB C 89 44.070 44.070 43.861 0.209 18978 12395 1 16 . 1 1 89 89 ASP H H 89 8.280 8.280 8.758 -0.478 18978 12396 1 16 . 1 1 90 90 GLU N N 90 122.400 122.400 121.937 0.463 18978 12397 1 16 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.042 -0.192 18978 12398 1 16 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.121 -0.291 18978 12399 1 16 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.887 -0.477 18978 12400 1 16 . 1 1 90 90 GLU H H 90 8.980 8.980 8.701 0.279 18978 12401 1 16 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.946 -0.666 18978 12402 1 16 . 1 1 91 91 ASN C C 91 173.600 173.600 173.774 -0.174 18978 12403 1 16 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.666 1.494 18978 12404 1 16 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.215 -0.315 18978 12405 1 16 . 1 1 92 92 LEU N N 92 117.400 117.400 120.704 -3.304 18978 12406 1 16 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.678 0.352 18978 12407 1 16 . 1 1 92 92 LEU C C 92 174.700 174.700 173.716 0.984 18978 12408 1 16 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.654 -1.954 18978 12409 1 16 . 1 1 92 92 LEU CB C 92 47.250 47.250 45.956 1.294 18978 12410 1 16 . 1 1 92 92 LEU H H 92 7.110 7.110 7.991 -0.881 18978 12411 1 16 . 1 1 93 93 ILE N N 93 121.300 121.300 124.680 -3.380 18978 12412 1 16 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.565 -0.115 18978 12413 1 16 . 1 1 93 93 ILE C C 93 174.000 174.000 174.315 -0.315 18978 12414 1 16 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.802 0.168 18978 12415 1 16 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.495 0.136 18978 12416 1 16 . 1 1 93 93 ILE H H 93 8.450 8.450 8.447 0.003 18978 12417 1 16 . 1 1 94 94 VAL N N 94 128.000 128.000 127.997 0.003 18978 12418 1 16 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.928 -0.088 18978 12419 1 16 . 1 1 94 94 VAL C C 94 174.000 174.000 174.624 -0.624 18978 12420 1 16 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.879 0.221 18978 12421 1 16 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.276 -2.156 18978 12422 1 16 . 1 1 94 94 VAL H H 94 8.970 8.970 8.438 0.532 18978 12423 1 16 . 1 1 95 95 VAL N N 95 127.700 127.700 127.330 0.370 18978 12424 1 16 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.565 0.105 18978 12425 1 16 . 1 1 95 95 VAL C C 95 173.300 173.300 174.612 -1.312 18978 12426 1 16 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.222 -0.382 18978 12427 1 16 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.809 -0.569 18978 12428 1 16 . 1 1 95 95 VAL H H 95 9.420 9.420 8.566 0.854 18978 12429 1 16 . 1 1 96 96 ILE N N 96 126.000 126.000 127.769 -1.769 18978 12430 1 16 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.968 0.252 18978 12431 1 16 . 1 1 96 96 ILE C C 96 177.100 177.100 175.430 1.670 18978 12432 1 16 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.675 -0.105 18978 12433 1 16 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.598 0.152 18978 12434 1 16 . 1 1 96 96 ILE H H 96 8.460 8.460 8.837 -0.377 18978 12435 1 16 . 1 1 97 97 THR N N 97 118.100 118.100 118.435 -0.335 18978 12436 1 16 . 1 1 97 97 THR HA H 97 5.250 5.250 4.867 0.383 18978 12437 1 16 . 1 1 97 97 THR C C 97 176.300 176.300 176.112 0.188 18978 12438 1 16 . 1 1 97 97 THR CA C 97 59.650 59.650 59.648 0.003 18978 12439 1 16 . 1 1 97 97 THR CB C 97 71.890 71.890 71.165 0.726 18978 12440 1 16 . 1 1 97 97 THR H H 97 9.050 9.050 8.415 0.635 18978 12441 1 16 . 1 1 98 98 GLU N N 98 120.100 120.100 123.706 -3.606 18978 12442 1 16 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.994 0.126 18978 12443 1 16 . 1 1 98 98 GLU C C 98 176.200 176.200 177.744 -1.544 18978 12444 1 16 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.731 -1.841 18978 12445 1 16 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.392 0.138 18978 12446 1 16 . 1 1 98 98 GLU H H 98 9.220 9.220 8.291 0.929 18978 12447 1 16 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.332 -0.182 18978 12448 1 16 . 1 1 99 99 GLU C C 99 174.200 174.200 175.605 -1.405 18978 12449 1 16 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.148 2.062 18978 12450 1 16 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.892 0.978 18978 12451 1 16 . 1 1 100 100 ASN N N 100 113.200 113.200 114.481 -1.281 18978 12452 1 16 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.379 -0.269 18978 12453 1 16 . 1 1 100 100 ASN C C 100 173.700 173.700 173.385 0.315 18978 12454 1 16 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.402 -0.002 18978 12455 1 16 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.594 -0.734 18978 12456 1 16 . 1 1 100 100 ASN H H 100 8.020 8.020 8.144 -0.124 18978 12457 1 16 . 1 1 101 101 GLU N N 101 115.500 115.500 118.161 -2.661 18978 12458 1 16 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.866 0.284 18978 12459 1 16 . 1 1 101 101 GLU C C 101 174.900 174.900 174.313 0.587 18978 12460 1 16 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.108 -0.058 18978 12461 1 16 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.556 -2.156 18978 12462 1 16 . 1 1 101 101 GLU H H 101 7.230 7.230 7.340 -0.111 18978 12463 1 16 . 1 1 102 102 VAL N N 102 122.700 122.700 124.632 -1.932 18978 12464 1 16 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.506 0.414 18978 12465 1 16 . 1 1 102 102 VAL C C 102 173.700 173.700 174.431 -0.731 18978 12466 1 16 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.511 -0.591 18978 12467 1 16 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.508 0.302 18978 12468 1 16 . 1 1 102 102 VAL H H 102 8.710 8.710 8.734 -0.024 18978 12469 1 16 . 1 1 103 103 LEU N N 103 127.300 127.300 127.735 -0.435 18978 12470 1 16 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.807 -0.507 18978 12471 1 16 . 1 1 103 103 LEU C C 103 174.500 174.500 175.364 -0.864 18978 12472 1 16 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.673 0.147 18978 12473 1 16 . 1 1 103 103 LEU H H 103 9.140 9.140 8.404 0.736 18978 12474 1 16 . 1 1 104 104 ILE N N 104 122.200 122.200 121.375 0.825 18978 12475 1 16 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.660 0.080 18978 12476 1 16 . 1 1 104 104 ILE C C 104 173.600 173.600 174.500 -0.900 18978 12477 1 16 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.478 -0.258 18978 12478 1 16 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.713 -0.563 18978 12479 1 16 . 1 1 104 104 ILE H H 104 8.470 8.470 8.186 0.284 18978 12480 1 16 . 1 1 105 105 PHE N N 105 126.600 126.600 125.345 1.255 18978 12481 1 16 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.608 -0.038 18978 12482 1 16 . 1 1 105 105 PHE C C 105 175.800 175.800 175.099 0.701 18978 12483 1 16 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.910 -0.460 18978 12484 1 16 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.710 0.960 18978 12485 1 16 . 1 1 105 105 PHE H H 105 9.330 9.330 9.101 0.230 18978 12486 1 16 . 1 1 106 106 ASN N N 106 116.000 116.000 118.482 -2.482 18978 12487 1 16 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.026 0.444 18978 12488 1 16 . 1 1 106 106 ASN C C 106 176.700 176.700 176.851 -0.151 18978 12489 1 16 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.016 -0.516 18978 12490 1 16 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.669 -1.069 18978 12491 1 16 . 1 1 106 106 ASN H H 106 7.710 7.710 8.244 -0.534 18978 12492 1 16 . 1 1 107 107 GLN N N 107 114.500 114.500 119.320 -4.820 18978 12493 1 16 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.119 -0.229 18978 12494 1 16 . 1 1 107 107 GLN C C 107 173.700 173.700 176.510 -2.810 18978 12495 1 16 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.570 -1.060 18978 12496 1 16 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.703 -1.613 18978 12497 1 16 . 1 1 107 107 GLN H H 107 8.040 8.040 8.678 -0.638 18978 12498 1 16 . 1 1 108 108 ASN N N 108 115.800 115.800 115.849 -0.049 18978 12499 1 16 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.614 0.056 18978 12500 1 16 . 1 1 108 108 ASN C C 108 173.600 173.600 174.996 -1.396 18978 12501 1 16 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.413 -1.323 18978 12502 1 16 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.721 0.140 18978 12503 1 16 . 1 1 108 108 ASN H H 108 7.440 7.440 8.270 -0.830 18978 12504 1 16 . 1 1 109 109 LEU N N 109 115.200 115.200 119.245 -4.045 18978 12505 1 16 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.847 -0.317 18978 12506 1 16 . 1 1 109 109 LEU C C 109 174.700 174.700 175.042 -0.342 18978 12507 1 16 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.126 -0.356 18978 12508 1 16 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.378 -1.678 18978 12509 1 16 . 1 1 109 109 LEU H H 109 8.220 8.220 7.661 0.559 18978 12510 1 16 . 1 1 110 110 GLU N N 110 117.600 117.600 119.194 -1.594 18978 12511 1 16 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.724 -0.304 18978 12512 1 16 . 1 1 110 110 GLU C C 110 175.800 175.800 175.784 0.016 18978 12513 1 16 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.886 0.294 18978 12514 1 16 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.417 -2.597 18978 12515 1 16 . 1 1 110 110 GLU H H 110 7.550 7.550 8.311 -0.761 18978 12516 1 16 . 1 1 111 111 GLU N N 111 125.900 125.900 124.565 1.335 18978 12517 1 16 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.149 -0.319 18978 12518 1 16 . 1 1 111 111 GLU C C 111 175.400 175.400 176.087 -0.687 18978 12519 1 16 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.051 -0.411 18978 12520 1 16 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.827 0.793 18978 12521 1 16 . 1 1 111 111 GLU H H 111 8.350 8.350 8.986 -0.636 18978 12522 1 16 . 1 1 112 112 LEU N N 112 128.000 128.000 128.441 -0.441 18978 12523 1 16 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.433 -0.163 18978 12524 1 16 . 1 1 112 112 LEU C C 112 176.100 176.100 176.483 -0.383 18978 12525 1 16 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.456 -0.427 18978 12526 1 16 . 1 1 112 112 LEU CB C 112 42.770 42.770 43.842 -1.072 18978 12527 1 16 . 1 1 112 112 LEU H H 112 9.110 9.110 8.355 0.755 18978 12528 1 16 . 1 1 113 113 TYR N N 113 116.300 116.300 119.298 -2.998 18978 12529 1 16 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.650 -0.320 18978 12530 1 16 . 1 1 113 113 TYR C C 113 171.700 171.700 172.851 -1.151 18978 12531 1 16 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.425 0.535 18978 12532 1 16 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.169 -0.449 18978 12533 1 16 . 1 1 113 113 TYR H H 113 7.250 7.250 7.469 -0.219 18978 12534 1 16 . 1 1 114 114 ARG N N 114 126.200 126.200 123.828 2.372 18978 12535 1 16 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.004 0.016 18978 12536 1 16 . 1 1 114 114 ARG C C 114 173.500 173.500 174.113 -0.613 18978 12537 1 16 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.367 0.253 18978 12538 1 16 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.904 0.546 18978 12539 1 16 . 1 1 114 114 ARG H H 114 6.560 6.560 7.667 -1.107 18978 12540 1 16 . 1 1 115 115 GLY N N 115 111.300 111.300 110.311 0.989 18978 12541 1 16 . 1 1 115 115 GLY C C 115 178.100 178.100 171.236 6.864 18978 12542 1 16 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.969 -0.559 18978 12543 1 16 . 1 1 115 115 GLY H H 115 8.320 8.320 8.470 -0.150 18978 12544 1 16 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.606 0.164 18978 12545 1 16 . 1 1 116 116 LYS C C 116 174.400 174.400 174.802 -0.402 18978 12546 1 16 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.141 0.049 18978 12547 1 16 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.103 -0.763 18978 12548 1 16 . 1 1 117 117 PHE N N 117 125.800 125.800 123.539 2.261 18978 12549 1 16 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.837 -0.287 18978 12550 1 16 . 1 1 117 117 PHE C C 117 174.000 174.000 175.981 -1.981 18978 12551 1 16 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.009 -0.159 18978 12552 1 16 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.939 0.221 18978 12553 1 16 . 1 1 117 117 PHE H H 117 8.090 8.090 8.576 -0.486 18978 12554 1 16 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.809 -0.149 18978 12555 1 16 . 1 1 119 119 ASN C C 119 173.500 173.500 174.665 -1.165 18978 12556 1 16 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.697 -0.217 18978 12557 1 16 . 1 1 119 119 ASN CB C 119 38.190 38.190 37.875 0.315 18978 12558 1 16 . 1 1 120 120 LEU N N 120 120.200 120.200 122.252 -2.052 18978 12559 1 16 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.132 -0.302 18978 12560 1 16 . 1 1 120 120 LEU C C 120 175.000 175.000 176.280 -1.280 18978 12561 1 16 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.127 0.143 18978 12562 1 16 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.228 0.542 18978 12563 1 16 . 1 1 120 120 LEU H H 120 6.900 6.900 7.674 -0.774 18978 12564 1 16 . 1 1 121 121 ASN N N 121 124.200 124.200 124.509 -0.309 18978 12565 1 16 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.849 0.041 18978 12566 1 16 . 1 1 121 121 ASN C C 121 174.300 174.300 175.392 -1.092 18978 12567 1 16 . 1 1 121 121 ASN CA C 121 53.880 53.880 53.880 -0.000 18978 12568 1 16 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.542 -0.102 18978 12569 1 16 . 1 1 121 121 ASN H H 121 8.900 8.900 8.598 0.302 18978 12570 1 16 . 1 1 122 122 LYS N N 122 115.100 115.100 119.691 -4.591 18978 12571 1 16 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.604 -0.134 18978 12572 1 16 . 1 1 122 122 LYS C C 122 172.500 172.500 174.000 -1.500 18978 12573 1 16 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.718 -0.018 18978 12574 1 16 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.464 -0.804 18978 12575 1 16 . 1 1 122 122 LYS H H 122 7.410 7.410 7.828 -0.418 18978 12576 1 16 . 1 1 123 123 VAL N N 123 121.500 121.500 120.811 0.689 18978 12577 1 16 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.424 0.396 18978 12578 1 16 . 1 1 123 123 VAL C C 123 173.400 173.400 175.318 -1.918 18978 12579 1 16 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.525 -0.835 18978 12580 1 16 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.609 0.541 18978 12581 1 16 . 1 1 123 123 VAL H H 123 7.730 7.730 8.367 -0.637 18978 12582 1 16 . 1 1 124 124 LEU N N 124 126.600 126.600 130.016 -3.416 18978 12583 1 16 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.866 -0.146 18978 12584 1 16 . 1 1 124 124 LEU C C 124 174.200 174.200 175.190 -0.990 18978 12585 1 16 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.290 -0.910 18978 12586 1 16 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.075 1.035 18978 12587 1 16 . 1 1 124 124 LEU H H 124 9.060 9.060 8.614 0.446 18978 12588 1 16 . 1 1 125 125 VAL N N 125 120.300 120.300 117.995 2.305 18978 12589 1 16 . 1 1 125 125 VAL HA H 125 4.670 4.670 5.014 -0.344 18978 12590 1 16 . 1 1 125 125 VAL C C 125 174.700 174.700 174.926 -0.226 18978 12591 1 16 . 1 1 125 125 VAL CA C 125 60.290 60.290 59.730 0.560 18978 12592 1 16 . 1 1 125 125 VAL CB C 125 34.250 34.250 35.222 -0.972 18978 12593 1 16 . 1 1 125 125 VAL H H 125 8.030 8.030 8.329 -0.299 18978 12594 1 16 . 1 1 126 126 ARG N N 126 127.100 127.100 126.516 0.584 18978 12595 1 16 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.705 -0.235 18978 12596 1 16 . 1 1 126 126 ARG C C 126 174.400 174.400 175.265 -0.865 18978 12597 1 16 . 1 1 126 126 ARG CA C 126 55.830 55.830 55.691 0.139 18978 12598 1 16 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.341 -2.041 18978 12599 1 16 . 1 1 126 126 ARG H H 126 8.630 8.630 8.303 0.327 18978 12600 1 16 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.568 -0.278 18978 12601 1 16 . 1 1 127 127 ASN C C 127 172.600 172.600 174.579 -1.979 18978 12602 1 16 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.878 0.182 18978 12603 1 16 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.693 -0.743 18978 12604 1 16 . 1 1 128 128 ASP N N 128 117.600 117.600 121.198 -3.598 18978 12605 1 16 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.634 -0.184 18978 12606 1 16 . 1 1 128 128 ASP C C 128 174.000 174.000 174.914 -0.914 18978 12607 1 16 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.780 -0.260 18978 12608 1 16 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.058 -1.248 18978 12609 1 16 . 1 1 128 128 ASP H H 128 8.560 8.560 8.474 0.086 18978 12610 1 16 . 1 1 129 129 LEU N N 129 121.500 121.500 121.263 0.237 18978 12611 1 16 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.567 0.503 18978 12612 1 16 . 1 1 129 129 LEU C C 129 174.800 174.800 174.826 -0.026 18978 12613 1 16 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.507 -0.707 18978 12614 1 16 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.268 0.852 18978 12615 1 16 . 1 1 129 129 LEU H H 129 7.730 7.730 7.925 -0.195 18978 12616 1 16 . 1 1 130 130 VAL N N 130 120.600 120.600 123.568 -2.968 18978 12617 1 16 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.469 0.241 18978 12618 1 16 . 1 1 130 130 VAL C C 130 173.500 173.500 174.224 -0.724 18978 12619 1 16 . 1 1 130 130 VAL CA C 130 60.520 60.520 61.198 -0.678 18978 12620 1 16 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.156 -0.406 18978 12621 1 16 . 1 1 130 130 VAL H H 130 8.410 8.410 8.193 0.217 18978 12622 1 16 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.855 -0.255 18978 12623 1 16 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.488 0.102 18978 12624 1 16 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.495 -1.635 18978 12625 1 16 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.301 -0.001 18978 12626 1 16 . 1 1 132 132 ILE C C 132 174.900 174.900 174.290 0.610 18978 12627 1 16 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.379 0.101 18978 12628 1 16 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.329 -0.279 18978 12629 1 16 . 1 1 133 133 ILE N N 133 126.200 126.200 127.225 -1.025 18978 12630 1 16 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.429 0.241 18978 12631 1 16 . 1 1 133 133 ILE C C 133 174.200 174.200 174.138 0.062 18978 12632 1 16 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.576 1.354 18978 12633 1 16 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.642 1.478 18978 12634 1 16 . 1 1 133 133 ILE H H 133 8.490 8.490 8.463 0.027 18978 12635 1 16 . 1 1 134 134 ASP N N 134 130.100 130.100 125.688 4.412 18978 12636 1 16 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.193 -0.243 18978 12637 1 16 . 1 1 134 134 ASP C C 134 174.600 174.600 176.546 -1.946 18978 12638 1 16 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.061 0.329 18978 12639 1 16 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.928 -0.558 18978 12640 1 16 . 1 1 134 134 ASP H H 134 8.360 8.360 8.132 0.228 18978 12641 1 16 . 1 1 135 135 GLU N N 135 118.000 118.000 121.270 -3.270 18978 12642 1 16 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.890 0.320 18978 12643 1 16 . 1 1 135 135 GLU C C 135 176.200 176.200 177.371 -1.171 18978 12644 1 16 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.213 -0.463 18978 12645 1 16 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.780 0.510 18978 12646 1 16 . 1 1 135 135 GLU H H 135 7.840 7.840 8.442 -0.602 18978 12647 1 16 . 1 1 136 136 GLN N N 136 115.200 115.200 116.858 -1.658 18978 12648 1 16 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.219 0.651 18978 12649 1 16 . 1 1 136 136 GLN C C 136 174.900 174.900 175.722 -0.822 18978 12650 1 16 . 1 1 136 136 GLN CA C 136 55.500 55.500 57.114 -1.614 18978 12651 1 16 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.859 1.071 18978 12652 1 16 . 1 1 136 136 GLN H H 136 8.860 8.860 8.273 0.587 18978 12653 1 16 . 1 1 137 137 LYS N N 137 118.100 118.100 114.045 4.055 18978 12654 1 16 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.493 0.417 18978 12655 1 16 . 1 1 137 137 LYS C C 137 172.400 172.400 173.624 -1.224 18978 12656 1 16 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.169 0.731 18978 12657 1 16 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.784 0.756 18978 12658 1 16 . 1 1 137 137 LYS H H 137 8.260 8.260 8.040 0.220 18978 12659 1 16 . 1 1 138 138 LEU N N 138 123.500 123.500 121.821 1.679 18978 12660 1 16 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.755 0.105 18978 12661 1 16 . 1 1 138 138 LEU C C 138 174.400 174.400 176.000 -1.600 18978 12662 1 16 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.649 -0.139 18978 12663 1 16 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.870 0.090 18978 12664 1 16 . 1 1 138 138 LEU H H 138 8.410 8.410 8.448 -0.038 18978 12665 1 16 . 1 1 139 139 THR N N 139 123.600 123.600 122.907 0.693 18978 12666 1 16 . 1 1 139 139 THR HA H 139 4.830 4.830 4.622 0.208 18978 12667 1 16 . 1 1 139 139 THR C C 139 171.400 171.400 172.527 -1.127 18978 12668 1 16 . 1 1 139 139 THR CA C 139 62.240 62.240 61.650 0.590 18978 12669 1 16 . 1 1 139 139 THR CB C 139 70.120 70.120 69.761 0.359 18978 12670 1 16 . 1 1 139 139 THR H H 139 8.820 8.820 8.311 0.509 18978 12671 1 16 . 1 1 140 140 LEU N N 140 130.500 130.500 129.634 0.866 18978 12672 1 16 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.614 0.416 18978 12673 1 16 . 1 1 140 140 LEU C C 140 173.700 173.700 175.314 -1.614 18978 12674 1 16 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.373 -0.993 18978 12675 1 16 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.791 1.099 18978 12676 1 16 . 1 1 140 140 LEU H H 140 9.250 9.250 8.675 0.575 18978 12677 1 16 . 1 1 141 141 ILE N N 141 127.300 127.300 128.443 -1.143 18978 12678 1 16 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.316 0.344 18978 12679 1 16 . 1 1 141 141 ILE C C 141 174.200 174.200 174.414 -0.214 18978 12680 1 16 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.481 -0.971 18978 12681 1 16 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.211 -1.361 18978 12682 1 16 . 1 1 141 141 ILE H H 141 9.140 9.140 8.655 0.485 18978 12683 1 16 . 1 1 142 142 ARG N N 142 126.500 126.500 127.895 -1.395 18978 12684 1 16 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.512 0.368 18978 12685 1 16 . 1 1 142 142 ARG C C 142 175.100 175.100 175.686 -0.586 18978 12686 1 16 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.902 -1.362 18978 12687 1 16 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.221 0.279 18978 12688 1 16 . 1 1 142 142 ARG H H 142 8.550 8.550 8.733 -0.183 18978 12689 1 17 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.487 -1.487 18978 12690 1 17 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.640 0.510 18978 12691 1 17 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.087 0.303 18978 12692 1 17 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.039 -2.309 18978 12693 1 17 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.215 -0.175 18978 12694 1 17 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.726 0.154 18978 12695 1 17 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.322 -0.212 18978 12696 1 17 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.818 -0.058 18978 12697 1 17 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.204 -0.334 18978 12698 1 17 . 1 1 0 0 ILE N N 0 125.570 125.570 127.016 -1.446 18978 12699 1 17 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.506 -0.416 18978 12700 1 17 . 1 1 0 0 ILE C C 0 175.850 175.850 175.476 0.374 18978 12701 1 17 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.608 0.192 18978 12702 1 17 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.411 -0.941 18978 12703 1 17 . 1 1 0 0 ILE H H 0 8.230 8.230 8.397 -0.167 18978 12704 1 17 . 1 1 1 1 MET N N 1 125.930 125.930 125.886 0.044 18978 12705 1 17 . 1 1 1 1 MET HA H 1 4.540 4.540 4.842 -0.302 18978 12706 1 17 . 1 1 1 1 MET C C 1 174.830 174.830 175.395 -0.565 18978 12707 1 17 . 1 1 1 1 MET CA C 1 54.790 54.790 55.147 -0.356 18978 12708 1 17 . 1 1 1 1 MET CB C 1 32.640 32.640 33.489 -0.849 18978 12709 1 17 . 1 1 1 1 MET H H 1 8.370 8.370 8.478 -0.108 18978 12710 1 17 . 1 1 2 2 SER N N 2 116.400 116.400 118.711 -2.311 18978 12711 1 17 . 1 1 2 2 SER HA H 2 5.030 5.030 5.167 -0.137 18978 12712 1 17 . 1 1 2 2 SER C C 2 174.330 174.330 173.655 0.675 18978 12713 1 17 . 1 1 2 2 SER CA C 2 57.320 57.320 57.293 0.027 18978 12714 1 17 . 1 1 2 2 SER CB C 2 64.790 64.790 65.765 -0.975 18978 12715 1 17 . 1 1 2 2 SER H H 2 7.990 7.990 8.529 -0.539 18978 12716 1 17 . 1 1 3 3 GLU N N 3 123.670 123.670 123.309 0.361 18978 12717 1 17 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.393 -0.143 18978 12718 1 17 . 1 1 3 3 GLU C C 3 172.980 172.980 174.172 -1.192 18978 12719 1 17 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.639 -0.249 18978 12720 1 17 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.552 -0.642 18978 12721 1 17 . 1 1 3 3 GLU H H 3 9.430 9.430 8.726 0.704 18978 12722 1 17 . 1 1 4 4 LEU N N 4 125.350 125.350 124.460 0.890 18978 12723 1 17 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.056 -0.186 18978 12724 1 17 . 1 1 4 4 LEU C C 4 174.000 174.000 174.419 -0.419 18978 12725 1 17 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.656 -0.636 18978 12726 1 17 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.729 0.311 18978 12727 1 17 . 1 1 4 4 LEU H H 4 8.930 8.930 8.591 0.339 18978 12728 1 17 . 1 1 5 5 LYS N N 5 124.640 124.640 126.027 -1.387 18978 12729 1 17 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.951 0.409 18978 12730 1 17 . 1 1 5 5 LYS C C 5 175.660 175.660 175.354 0.306 18978 12731 1 17 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.201 -0.261 18978 12732 1 17 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.263 0.017 18978 12733 1 17 . 1 1 5 5 LYS H H 5 8.840 8.840 8.401 0.439 18978 12734 1 17 . 1 1 6 6 LEU N N 6 123.460 123.460 125.078 -1.618 18978 12735 1 17 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.156 0.274 18978 12736 1 17 . 1 1 6 6 LEU C C 6 174.630 174.630 175.296 -0.666 18978 12737 1 17 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.439 -0.539 18978 12738 1 17 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.169 1.741 18978 12739 1 17 . 1 1 6 6 LEU H H 6 8.820 8.820 8.270 0.550 18978 12740 1 17 . 1 1 7 7 LYS N N 7 122.230 122.230 121.942 0.288 18978 12741 1 17 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.117 0.373 18978 12742 1 17 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.635 -0.365 18978 12743 1 17 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.795 0.705 18978 12744 1 17 . 1 1 7 7 LYS H H 7 9.110 9.110 8.441 0.669 18978 12745 1 17 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.153 -1.053 18978 12746 1 17 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.584 -0.144 18978 12747 1 17 . 1 1 8 8 PRO CB C 8 30.640 30.640 33.246 -2.606 18978 12748 1 17 . 1 1 9 9 LEU N N 9 123.250 123.250 122.020 1.230 18978 12749 1 17 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.517 -0.197 18978 12750 1 17 . 1 1 9 9 LEU CA C 9 57.680 57.680 57.161 0.519 18978 12751 1 17 . 1 1 9 9 LEU CB C 9 38.760 38.760 39.923 -1.163 18978 12752 1 17 . 1 1 9 9 LEU H H 9 8.490 8.490 8.151 0.339 18978 12753 1 17 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.461 0.069 18978 12754 1 17 . 1 1 10 10 PRO CA C 10 62.880 62.880 61.960 0.920 18978 12755 1 17 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.261 -0.841 18978 12756 1 17 . 1 1 11 11 LYS N N 11 119.160 119.160 122.079 -2.919 18978 12757 1 17 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.396 -0.285 18978 12758 1 17 . 1 1 11 11 LYS C C 11 175.680 175.680 176.017 -0.337 18978 12759 1 17 . 1 1 11 11 LYS CA C 11 56.210 56.210 55.913 0.297 18978 12760 1 17 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.704 -1.044 18978 12761 1 17 . 1 1 11 11 LYS H H 11 8.180 8.180 8.384 -0.204 18978 12762 1 17 . 1 1 12 12 VAL N N 12 121.820 121.820 123.575 -1.755 18978 12763 1 17 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.277 0.003 18978 12764 1 17 . 1 1 12 12 VAL C C 12 173.690 173.690 174.509 -0.819 18978 12765 1 17 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.945 -1.115 18978 12766 1 17 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.112 -0.562 18978 12767 1 17 . 1 1 12 12 VAL H H 12 7.530 7.530 8.157 -0.627 18978 12768 1 17 . 1 1 13 13 GLU N N 13 125.610 125.610 125.090 0.520 18978 12769 1 17 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.472 -0.142 18978 12770 1 17 . 1 1 13 13 GLU C C 13 175.390 175.390 175.261 0.129 18978 12771 1 17 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.628 -0.408 18978 12772 1 17 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.167 -0.197 18978 12773 1 17 . 1 1 13 13 GLU H H 13 8.270 8.270 8.493 -0.223 18978 12774 1 17 . 1 1 14 14 LEU N N 14 125.880 125.880 127.838 -1.958 18978 12775 1 17 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.592 -0.072 18978 12776 1 17 . 1 1 14 14 LEU CA C 14 51.660 51.660 51.882 -0.222 18978 12777 1 17 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.910 -0.160 18978 12778 1 17 . 1 1 14 14 LEU H H 14 8.480 8.480 8.305 0.175 18978 12779 1 17 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.602 0.158 18978 12780 1 17 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.934 -0.604 18978 12781 1 17 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.352 -0.292 18978 12782 1 17 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.234 0.156 18978 12783 1 17 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.079 -0.529 18978 12784 1 17 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.799 -0.029 18978 12785 1 17 . 1 1 17 17 ASP N N 17 115.820 115.820 115.581 0.239 18978 12786 1 17 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.737 -0.117 18978 12787 1 17 . 1 1 17 17 ASP C C 17 177.100 177.100 176.964 0.136 18978 12788 1 17 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.854 0.036 18978 12789 1 17 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.895 0.225 18978 12790 1 17 . 1 1 17 17 ASP H H 17 8.560 8.560 8.731 -0.171 18978 12791 1 17 . 1 1 18 18 PHE N N 18 119.610 119.610 121.760 -2.150 18978 12792 1 17 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.139 0.041 18978 12793 1 17 . 1 1 18 18 PHE C C 18 176.740 176.740 176.596 0.144 18978 12794 1 17 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.928 -0.908 18978 12795 1 17 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.288 -0.057 18978 12796 1 17 . 1 1 18 18 PHE H H 18 7.940 7.940 7.708 0.232 18978 12797 1 17 . 1 1 19 19 VAL N N 19 116.370 116.370 118.270 -1.900 18978 12798 1 17 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.541 -0.191 18978 12799 1 17 . 1 1 19 19 VAL C C 19 176.400 176.400 177.624 -1.224 18978 12800 1 17 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.133 -0.623 18978 12801 1 17 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.214 -0.194 18978 12802 1 17 . 1 1 19 19 VAL H H 19 8.010 8.010 8.146 -0.136 18978 12803 1 17 . 1 1 20 20 ASP N N 20 119.190 119.190 119.752 -0.562 18978 12804 1 17 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.329 -0.019 18978 12805 1 17 . 1 1 20 20 ASP C C 20 178.360 178.360 178.961 -0.601 18978 12806 1 17 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.684 -0.575 18978 12807 1 17 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.217 0.233 18978 12808 1 17 . 1 1 20 20 ASP H H 20 7.420 7.420 7.478 -0.058 18978 12809 1 17 . 1 1 21 21 VAL N N 21 119.830 119.830 120.285 -0.455 18978 12810 1 17 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.550 -0.040 18978 12811 1 17 . 1 1 21 21 VAL C C 21 178.100 178.100 177.962 0.138 18978 12812 1 17 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.098 -0.528 18978 12813 1 17 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.584 -0.174 18978 12814 1 17 . 1 1 21 21 VAL H H 21 7.190 7.190 7.284 -0.094 18978 12815 1 17 . 1 1 22 22 ILE N N 22 118.490 118.490 119.220 -0.730 18978 12816 1 17 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.497 -0.327 18978 12817 1 17 . 1 1 22 22 ILE C C 22 176.660 176.660 177.999 -1.339 18978 12818 1 17 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.706 1.514 18978 12819 1 17 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.203 1.296 18978 12820 1 17 . 1 1 22 22 ILE H H 22 7.660 7.660 7.551 0.109 18978 12821 1 17 . 1 1 23 23 ARG N N 23 118.260 118.260 120.334 -2.074 18978 12822 1 17 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.933 -0.553 18978 12823 1 17 . 1 1 23 23 ARG C C 23 178.060 178.060 178.905 -0.845 18978 12824 1 17 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.964 0.606 18978 12825 1 17 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.123 -0.053 18978 12826 1 17 . 1 1 23 23 ARG H H 23 7.830 7.830 7.649 0.181 18978 12827 1 17 . 1 1 24 24 ILE N N 24 116.750 116.750 119.096 -2.346 18978 12828 1 17 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.696 0.024 18978 12829 1 17 . 1 1 24 24 ILE C C 24 179.090 179.090 178.237 0.853 18978 12830 1 17 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.452 -0.392 18978 12831 1 17 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.807 0.223 18978 12832 1 17 . 1 1 24 24 ILE H H 24 7.350 7.350 7.648 -0.298 18978 12833 1 17 . 1 1 25 25 LYS N N 25 118.700 118.700 117.762 0.938 18978 12834 1 17 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.037 0.053 18978 12835 1 17 . 1 1 25 25 LYS C C 25 178.560 178.560 178.187 0.373 18978 12836 1 17 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.951 -1.301 18978 12837 1 17 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.979 -0.889 18978 12838 1 17 . 1 1 25 25 LYS H H 25 7.880 7.880 7.573 0.307 18978 12839 1 17 . 1 1 26 26 LEU N N 26 116.380 116.380 117.470 -1.090 18978 12840 1 17 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.215 0.015 18978 12841 1 17 . 1 1 26 26 LEU C C 26 175.880 175.880 177.019 -1.139 18978 12842 1 17 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.636 -1.546 18978 12843 1 17 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.922 0.388 18978 12844 1 17 . 1 1 26 26 LEU H H 26 7.860 7.860 7.877 -0.017 18978 12845 1 17 . 1 1 27 27 GLN N N 27 119.210 119.210 117.418 1.792 18978 12846 1 17 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.885 -0.355 18978 12847 1 17 . 1 1 27 27 GLN C C 27 177.480 177.480 177.168 0.312 18978 12848 1 17 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.370 1.000 18978 12849 1 17 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.747 -0.447 18978 12850 1 17 . 1 1 27 27 GLN H H 27 7.190 7.190 7.578 -0.388 18978 12851 1 17 . 1 1 28 28 GLY N N 28 113.490 113.490 113.574 -0.084 18978 12852 1 17 . 1 1 28 28 GLY C C 28 174.070 174.070 174.364 -0.294 18978 12853 1 17 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.910 0.370 18978 12854 1 17 . 1 1 28 28 GLY H H 28 8.940 8.940 8.653 0.287 18978 12855 1 17 . 1 1 29 29 LYS N N 29 122.060 122.060 122.325 -0.265 18978 12856 1 17 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.609 -0.209 18978 12857 1 17 . 1 1 29 29 LYS C C 29 175.560 175.560 175.637 -0.077 18978 12858 1 17 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.279 0.381 18978 12859 1 17 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.024 -1.154 18978 12860 1 17 . 1 1 29 29 LYS H H 29 8.350 8.350 7.786 0.564 18978 12861 1 17 . 1 1 30 30 THR N N 30 118.150 118.150 116.886 1.264 18978 12862 1 17 . 1 1 30 30 THR HA H 30 5.330 5.330 5.027 0.303 18978 12863 1 17 . 1 1 30 30 THR C C 30 174.860 174.860 174.315 0.545 18978 12864 1 17 . 1 1 30 30 THR CA C 30 62.040 62.040 61.508 0.532 18978 12865 1 17 . 1 1 30 30 THR CB C 30 69.420 69.420 70.036 -0.616 18978 12866 1 17 . 1 1 30 30 THR H H 30 8.410 8.410 8.284 0.126 18978 12867 1 17 . 1 1 31 31 VAL N N 31 122.510 122.510 120.375 2.135 18978 12868 1 17 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.613 -0.043 18978 12869 1 17 . 1 1 31 31 VAL C C 31 172.970 172.970 173.406 -0.436 18978 12870 1 17 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.823 -0.373 18978 12871 1 17 . 1 1 31 31 VAL CB C 31 35.880 35.880 35.152 0.728 18978 12872 1 17 . 1 1 31 31 VAL H H 31 9.140 9.140 8.884 0.256 18978 12873 1 17 . 1 1 32 32 ARG N N 32 120.640 120.640 122.147 -1.507 18978 12874 1 17 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.872 -0.122 18978 12875 1 17 . 1 1 32 32 ARG C C 32 175.650 175.650 175.133 0.517 18978 12876 1 17 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.446 -0.796 18978 12877 1 17 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.524 -0.654 18978 12878 1 17 . 1 1 32 32 ARG H H 32 8.420 8.420 8.901 -0.481 18978 12879 1 17 . 1 1 33 33 THR N N 33 118.590 118.590 118.903 -0.313 18978 12880 1 17 . 1 1 33 33 THR HA H 33 3.410 3.410 3.910 -0.500 18978 12881 1 17 . 1 1 33 33 THR C C 33 175.020 175.020 175.531 -0.511 18978 12882 1 17 . 1 1 33 33 THR CA C 33 65.660 65.660 64.979 0.681 18978 12883 1 17 . 1 1 33 33 THR CB C 33 69.400 69.400 68.571 0.829 18978 12884 1 17 . 1 1 33 33 THR H H 33 8.370 8.370 8.528 -0.158 18978 12885 1 17 . 1 1 34 34 GLY N N 34 117.350 117.350 115.729 1.621 18978 12886 1 17 . 1 1 34 34 GLY C C 34 174.350 174.350 174.370 -0.020 18978 12887 1 17 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.888 0.112 18978 12888 1 17 . 1 1 34 34 GLY H H 34 9.090 9.090 8.499 0.591 18978 12889 1 17 . 1 1 35 35 ASP N N 35 122.240 122.240 123.468 -1.228 18978 12890 1 17 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.682 -0.212 18978 12891 1 17 . 1 1 35 35 ASP C C 35 174.570 174.570 175.096 -0.526 18978 12892 1 17 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.123 0.446 18978 12893 1 17 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.894 -0.214 18978 12894 1 17 . 1 1 35 35 ASP H H 35 8.010 8.010 7.794 0.216 18978 12895 1 17 . 1 1 36 36 VAL N N 36 119.860 119.860 121.150 -1.290 18978 12896 1 17 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.762 0.188 18978 12897 1 17 . 1 1 36 36 VAL C C 36 176.330 176.330 175.910 0.420 18978 12898 1 17 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.369 0.341 18978 12899 1 17 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.834 -0.934 18978 12900 1 17 . 1 1 36 36 VAL H H 36 8.330 8.330 8.412 -0.082 18978 12901 1 17 . 1 1 37 37 ILE N N 37 124.990 124.990 128.410 -3.420 18978 12902 1 17 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.528 0.102 18978 12903 1 17 . 1 1 37 37 ILE C C 37 174.400 174.400 174.884 -0.484 18978 12904 1 17 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.498 -1.508 18978 12905 1 17 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.542 0.268 18978 12906 1 17 . 1 1 37 37 ILE H H 37 9.160 9.160 8.721 0.439 18978 12907 1 17 . 1 1 38 38 GLY N N 38 112.060 112.060 112.567 -0.507 18978 12908 1 17 . 1 1 38 38 GLY C C 38 172.920 172.920 173.595 -0.675 18978 12909 1 17 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.321 0.259 18978 12910 1 17 . 1 1 38 38 GLY H H 38 8.660 8.660 8.425 0.235 18978 12911 1 17 . 1 1 39 39 ILE N N 39 123.220 123.220 123.772 -0.552 18978 12912 1 17 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.492 -0.122 18978 12913 1 17 . 1 1 39 39 ILE C C 39 174.500 174.500 175.221 -0.721 18978 12914 1 17 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.432 -0.882 18978 12915 1 17 . 1 1 39 39 ILE CB C 39 41.300 41.300 42.115 -0.815 18978 12916 1 17 . 1 1 39 39 ILE H H 39 8.810 8.810 8.069 0.741 18978 12917 1 17 . 1 1 40 40 SER N N 40 121.430 121.430 122.017 -0.587 18978 12918 1 17 . 1 1 40 40 SER HA H 40 4.830 4.830 4.893 -0.063 18978 12919 1 17 . 1 1 40 40 SER C C 40 174.130 174.130 174.148 -0.018 18978 12920 1 17 . 1 1 40 40 SER CA C 40 57.770 57.770 57.854 -0.084 18978 12921 1 17 . 1 1 40 40 SER CB C 40 63.040 63.040 63.801 -0.761 18978 12922 1 17 . 1 1 40 40 SER H H 40 8.540 8.540 8.640 -0.100 18978 12923 1 17 . 1 1 41 41 ILE N N 41 127.060 127.060 126.288 0.772 18978 12924 1 17 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.437 -0.147 18978 12925 1 17 . 1 1 41 41 ILE C C 41 175.280 175.280 175.908 -0.628 18978 12926 1 17 . 1 1 41 41 ILE CA C 41 60.250 60.250 59.700 0.550 18978 12927 1 17 . 1 1 41 41 ILE CB C 41 39.840 39.840 39.028 0.812 18978 12928 1 17 . 1 1 41 41 ILE H H 41 8.930 8.930 8.571 0.359 18978 12929 1 17 . 1 1 42 42 LEU N N 42 126.770 126.770 128.078 -1.308 18978 12930 1 17 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.967 -0.077 18978 12931 1 17 . 1 1 42 42 LEU C C 42 177.130 177.130 176.785 0.345 18978 12932 1 17 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.372 0.188 18978 12933 1 17 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.375 -1.005 18978 12934 1 17 . 1 1 42 42 LEU H H 42 9.380 9.380 9.024 0.356 18978 12935 1 17 . 1 1 43 43 GLY N N 43 103.820 103.820 104.713 -0.893 18978 12936 1 17 . 1 1 43 43 GLY C C 43 173.690 173.690 173.362 0.328 18978 12937 1 17 . 1 1 43 43 GLY CA C 43 45.340 45.340 44.839 0.501 18978 12938 1 17 . 1 1 43 43 GLY H H 43 8.310 8.310 8.389 -0.079 18978 12939 1 17 . 1 1 44 44 LYS N N 44 121.160 121.160 120.440 0.720 18978 12940 1 17 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.580 -0.020 18978 12941 1 17 . 1 1 44 44 LYS C C 44 174.550 174.550 174.646 -0.096 18978 12942 1 17 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.365 -1.225 18978 12943 1 17 . 1 1 44 44 LYS CB C 44 34.620 34.620 35.259 -0.639 18978 12944 1 17 . 1 1 44 44 LYS H H 44 7.730 7.730 7.652 0.078 18978 12945 1 17 . 1 1 45 45 GLU N N 45 124.090 124.090 127.246 -3.156 18978 12946 1 17 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.494 -0.214 18978 12947 1 17 . 1 1 45 45 GLU C C 45 175.730 175.730 175.303 0.427 18978 12948 1 17 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.371 0.359 18978 12949 1 17 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.572 -0.502 18978 12950 1 17 . 1 1 45 45 GLU H H 45 8.490 8.490 8.684 -0.194 18978 12951 1 17 . 1 1 46 46 VAL N N 46 129.960 129.960 127.827 2.133 18978 12952 1 17 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.224 -0.194 18978 12953 1 17 . 1 1 46 46 VAL C C 46 174.610 174.610 173.419 1.191 18978 12954 1 17 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.152 1.528 18978 12955 1 17 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.601 -0.721 18978 12956 1 17 . 1 1 46 46 VAL H H 46 8.920 8.920 8.475 0.446 18978 12957 1 17 . 1 1 47 47 LYS N N 47 124.790 124.790 128.304 -3.514 18978 12958 1 17 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.635 0.485 18978 12959 1 17 . 1 1 47 47 LYS C C 47 175.380 175.380 175.393 -0.013 18978 12960 1 17 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.260 -0.059 18978 12961 1 17 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.525 1.145 18978 12962 1 17 . 1 1 47 47 LYS H H 47 7.860 7.860 8.308 -0.448 18978 12963 1 17 . 1 1 48 48 PHE N N 48 118.270 118.270 123.787 -5.517 18978 12964 1 17 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.139 -0.179 18978 12965 1 17 . 1 1 48 48 PHE C C 48 173.950 173.950 174.930 -0.980 18978 12966 1 17 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.930 -0.020 18978 12967 1 17 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.293 1.657 18978 12968 1 17 . 1 1 48 48 PHE H H 48 9.270 9.270 8.674 0.596 18978 12969 1 17 . 1 1 49 49 LYS N N 49 121.960 121.960 123.232 -1.272 18978 12970 1 17 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.871 0.039 18978 12971 1 17 . 1 1 49 49 LYS C C 49 176.230 176.230 175.636 0.594 18978 12972 1 17 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.684 -0.773 18978 12973 1 17 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.888 -0.718 18978 12974 1 17 . 1 1 49 49 LYS H H 49 9.170 9.170 8.591 0.579 18978 12975 1 17 . 1 1 50 50 VAL N N 50 127.140 127.140 127.049 0.091 18978 12976 1 17 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.020 0.150 18978 12977 1 17 . 1 1 50 50 VAL C C 50 175.500 175.500 176.543 -1.043 18978 12978 1 17 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.339 -1.359 18978 12979 1 17 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.603 -1.113 18978 12980 1 17 . 1 1 50 50 VAL H H 50 9.400 9.400 8.259 1.141 18978 12981 1 17 . 1 1 51 51 VAL N N 51 132.840 132.840 129.004 3.836 18978 12982 1 17 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.896 -0.246 18978 12983 1 17 . 1 1 51 51 VAL C C 51 176.440 176.440 176.050 0.390 18978 12984 1 17 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.096 -0.166 18978 12985 1 17 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.247 -0.117 18978 12986 1 17 . 1 1 51 51 VAL H H 51 8.390 8.390 8.253 0.137 18978 12987 1 17 . 1 1 52 52 GLN N N 52 114.500 114.500 116.020 -1.520 18978 12988 1 17 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.516 -0.246 18978 12989 1 17 . 1 1 52 52 GLN C C 52 172.290 172.290 173.407 -1.117 18978 12990 1 17 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.314 1.326 18978 12991 1 17 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.764 -0.134 18978 12992 1 17 . 1 1 52 52 GLN H H 52 7.470 7.470 7.461 0.009 18978 12993 1 17 . 1 1 53 53 ALA N N 53 131.410 131.410 128.337 3.073 18978 12994 1 17 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.865 -0.035 18978 12995 1 17 . 1 1 53 53 ALA C C 53 174.270 174.270 174.881 -0.611 18978 12996 1 17 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.494 0.306 18978 12997 1 17 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.041 -1.941 18978 12998 1 17 . 1 1 53 53 ALA H H 53 8.200 8.200 8.435 -0.235 18978 12999 1 17 . 1 1 54 54 TYR N N 54 124.140 124.140 123.965 0.175 18978 13000 1 17 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.005 -0.465 18978 13001 1 17 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.568 -1.298 18978 13002 1 17 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.304 -0.944 18978 13003 1 17 . 1 1 54 54 TYR H H 54 8.860 8.860 8.583 0.277 18978 13004 1 17 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.256 -0.136 18978 13005 1 17 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.156 1.294 18978 13006 1 17 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.011 1.159 18978 13007 1 17 . 1 1 56 56 SER N N 56 106.200 106.200 113.614 -7.414 18978 13008 1 17 . 1 1 56 56 SER HA H 56 4.720 4.720 4.731 -0.011 18978 13009 1 17 . 1 1 56 56 SER CA C 56 54.250 54.250 56.178 -1.928 18978 13010 1 17 . 1 1 56 56 SER CB C 56 64.530 64.530 63.498 1.032 18978 13011 1 17 . 1 1 56 56 SER H H 56 7.380 7.380 8.052 -0.672 18978 13012 1 17 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.430 0.450 18978 13013 1 17 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.776 0.214 18978 13014 1 17 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.710 2.510 18978 13015 1 17 . 1 1 58 58 LEU N N 58 120.480 120.480 123.088 -2.608 18978 13016 1 17 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.693 -0.263 18978 13017 1 17 . 1 1 58 58 LEU C C 58 174.570 174.570 175.349 -0.779 18978 13018 1 17 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.940 -0.040 18978 13019 1 17 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.405 -1.195 18978 13020 1 17 . 1 1 58 58 LEU H H 58 8.960 8.960 8.385 0.575 18978 13021 1 17 . 1 1 59 59 ARG N N 59 125.180 125.180 125.777 -0.597 18978 13022 1 17 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.577 0.353 18978 13023 1 17 . 1 1 59 59 ARG C C 59 175.460 175.460 175.477 -0.017 18978 13024 1 17 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.964 -0.923 18978 13025 1 17 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.702 -1.152 18978 13026 1 17 . 1 1 59 59 ARG H H 59 8.130 8.130 8.569 -0.439 18978 13027 1 17 . 1 1 60 60 VAL N N 60 128.170 128.170 128.217 -0.047 18978 13028 1 17 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.054 -0.644 18978 13029 1 17 . 1 1 60 60 VAL C C 60 175.460 175.460 174.665 0.795 18978 13030 1 17 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.019 2.191 18978 13031 1 17 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.993 -2.153 18978 13032 1 17 . 1 1 60 60 VAL H H 60 8.450 8.450 8.184 0.266 18978 13033 1 17 . 1 1 61 61 GLU N N 61 127.670 127.670 126.845 0.825 18978 13034 1 17 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.625 0.245 18978 13035 1 17 . 1 1 61 61 GLU C C 61 176.960 176.960 176.509 0.451 18978 13036 1 17 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.655 -0.325 18978 13037 1 17 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.924 -0.644 18978 13038 1 17 . 1 1 61 61 GLU H H 61 8.620 8.620 7.809 0.811 18978 13039 1 17 . 1 1 62 62 ASP N N 62 121.140 121.140 121.729 -0.589 18978 13040 1 17 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.279 -0.129 18978 13041 1 17 . 1 1 62 62 ASP C C 62 177.460 177.460 177.096 0.364 18978 13042 1 17 . 1 1 62 62 ASP CA C 62 57.620 57.620 56.936 0.684 18978 13043 1 17 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.531 -0.171 18978 13044 1 17 . 1 1 62 62 ASP H H 62 8.700 8.700 8.813 -0.113 18978 13045 1 17 . 1 1 63 63 ARG N N 63 112.890 112.890 117.801 -4.911 18978 13046 1 17 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.310 -0.030 18978 13047 1 17 . 1 1 63 63 ARG C C 63 176.510 176.510 176.927 -0.417 18978 13048 1 17 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.965 -1.515 18978 13049 1 17 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.361 -0.371 18978 13050 1 17 . 1 1 63 63 ARG H H 63 7.760 7.760 8.178 -0.418 18978 13051 1 17 . 1 1 64 64 THR N N 64 120.650 120.650 116.145 4.505 18978 13052 1 17 . 1 1 64 64 THR HA H 64 4.020 4.020 4.394 -0.374 18978 13053 1 17 . 1 1 64 64 THR C C 64 173.810 173.810 174.323 -0.513 18978 13054 1 17 . 1 1 64 64 THR CA C 64 64.060 64.060 63.345 0.715 18978 13055 1 17 . 1 1 64 64 THR CB C 64 69.350 69.350 69.451 -0.102 18978 13056 1 17 . 1 1 64 64 THR H H 64 7.700 7.700 7.565 0.135 18978 13057 1 17 . 1 1 65 65 LYS N N 65 130.950 130.950 127.004 3.946 18978 13058 1 17 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.432 -0.162 18978 13059 1 17 . 1 1 65 65 LYS C C 65 174.560 174.560 175.296 -0.736 18978 13060 1 17 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.065 0.215 18978 13061 1 17 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.359 -0.239 18978 13062 1 17 . 1 1 65 65 LYS H H 65 8.520 8.520 8.296 0.224 18978 13063 1 17 . 1 1 66 66 ILE N N 66 128.020 128.020 126.194 1.826 18978 13064 1 17 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.811 0.039 18978 13065 1 17 . 1 1 66 66 ILE C C 66 174.650 174.650 176.014 -1.364 18978 13066 1 17 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.142 -0.322 18978 13067 1 17 . 1 1 66 66 ILE CB C 66 38.280 38.280 39.872 -1.592 18978 13068 1 17 . 1 1 66 66 ILE H H 66 8.430 8.430 8.597 -0.167 18978 13069 1 17 . 1 1 67 67 THR N N 67 123.870 123.870 123.125 0.745 18978 13070 1 17 . 1 1 67 67 THR HA H 67 4.470 4.470 4.711 -0.241 18978 13071 1 17 . 1 1 67 67 THR C C 67 172.760 172.760 172.576 0.184 18978 13072 1 17 . 1 1 67 67 THR CA C 67 60.740 60.740 61.197 -0.457 18978 13073 1 17 . 1 1 67 67 THR CB C 67 71.320 71.320 70.841 0.479 18978 13074 1 17 . 1 1 67 67 THR H H 67 8.870 8.870 8.405 0.465 18978 13075 1 17 . 1 1 68 68 LEU N N 68 127.070 127.070 128.382 -1.312 18978 13076 1 17 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.928 0.212 18978 13077 1 17 . 1 1 68 68 LEU C C 68 176.610 176.610 176.068 0.542 18978 13078 1 17 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.000 -0.720 18978 13079 1 17 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.546 -0.946 18978 13080 1 17 . 1 1 68 68 LEU H H 68 8.820 8.820 8.594 0.226 18978 13081 1 17 . 1 1 69 69 VAL N N 69 124.120 124.120 128.025 -3.905 18978 13082 1 17 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.301 -0.041 18978 13083 1 17 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.563 -0.213 18978 13084 1 17 . 1 1 69 69 VAL CB C 69 32.790 32.790 33.096 -0.306 18978 13085 1 17 . 1 1 69 69 VAL H H 69 8.800 8.800 8.544 0.256 18978 13086 1 17 . 1 1 70 70 THR N N 70 114.500 114.500 122.892 -8.392 18978 13087 1 17 . 1 1 70 70 THR HA H 70 4.410 4.410 4.508 -0.098 18978 13088 1 17 . 1 1 70 70 THR CA C 70 60.800 60.800 61.809 -1.009 18978 13089 1 17 . 1 1 70 70 THR CB C 70 69.650 69.650 68.835 0.815 18978 13090 1 17 . 1 1 70 70 THR H H 70 8.160 8.160 8.237 -0.077 18978 13091 1 17 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.553 -0.623 18978 13092 1 17 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.500 1.020 18978 13093 1 17 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.480 1.660 18978 13094 1 17 . 1 1 73 73 VAL N N 73 117.500 117.500 114.096 3.404 18978 13095 1 17 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.364 0.156 18978 13096 1 17 . 1 1 73 73 VAL C C 73 174.100 174.100 174.230 -0.130 18978 13097 1 17 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.306 -0.296 18978 13098 1 17 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.139 -0.809 18978 13099 1 17 . 1 1 73 73 VAL H H 73 7.410 7.410 7.364 0.046 18978 13100 1 17 . 1 1 74 74 ASP N N 74 124.500 124.500 121.497 3.003 18978 13101 1 17 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.832 0.078 18978 13102 1 17 . 1 1 74 74 ASP C C 74 174.000 174.000 175.269 -1.269 18978 13103 1 17 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.593 -0.143 18978 13104 1 17 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.886 1.464 18978 13105 1 17 . 1 1 74 74 ASP H H 74 8.290 8.290 8.380 -0.090 18978 13106 1 17 . 1 1 75 75 VAL N N 75 122.400 122.400 124.451 -2.051 18978 13107 1 17 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.321 0.369 18978 13108 1 17 . 1 1 75 75 VAL C C 75 174.600 174.600 175.140 -0.540 18978 13109 1 17 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.541 -0.341 18978 13110 1 17 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.330 0.000 18978 13111 1 17 . 1 1 75 75 VAL H H 75 7.780 7.780 8.370 -0.590 18978 13112 1 17 . 1 1 76 76 LEU N N 76 130.300 130.300 127.725 2.575 18978 13113 1 17 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.622 0.098 18978 13114 1 17 . 1 1 76 76 LEU C C 76 174.400 174.400 176.225 -1.825 18978 13115 1 17 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.440 -0.809 18978 13116 1 17 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.322 0.638 18978 13117 1 17 . 1 1 76 76 LEU H H 76 9.200 9.200 8.413 0.787 18978 13118 1 17 . 1 1 77 77 GLU N N 77 118.600 118.600 122.147 -3.547 18978 13119 1 17 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.525 0.795 18978 13120 1 17 . 1 1 77 77 GLU C C 77 174.900 174.900 175.049 -0.149 18978 13121 1 17 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.843 -1.753 18978 13122 1 17 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.930 2.270 18978 13123 1 17 . 1 1 77 77 GLU H H 77 8.010 8.010 8.519 -0.509 18978 13124 1 17 . 1 1 78 78 ALA N N 78 124.500 124.500 125.065 -0.565 18978 13125 1 17 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.532 0.108 18978 13126 1 17 . 1 1 78 78 ALA C C 78 175.500 175.500 176.624 -1.124 18978 13127 1 17 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.387 -0.707 18978 13128 1 17 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.354 0.456 18978 13129 1 17 . 1 1 78 78 ALA H H 78 8.800 8.800 8.257 0.543 18978 13130 1 17 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.334 0.146 18978 13131 1 17 . 1 1 79 79 LYS C C 79 174.700 174.700 175.678 -0.978 18978 13132 1 17 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.331 -0.231 18978 13133 1 17 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.721 -1.781 18978 13134 1 17 . 1 1 80 80 ILE N N 80 127.300 127.300 124.369 2.931 18978 13135 1 17 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.274 -0.194 18978 13136 1 17 . 1 1 80 80 ILE C C 80 172.700 172.700 174.796 -2.096 18978 13137 1 17 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.303 -0.363 18978 13138 1 17 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.724 2.206 18978 13139 1 17 . 1 1 80 80 ILE H H 80 7.380 7.380 8.458 -1.078 18978 13140 1 17 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.490 -0.210 18978 13141 1 17 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.078 0.042 18978 13142 1 17 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.534 -0.784 18978 13143 1 17 . 1 1 82 82 GLY N N 82 113.000 113.000 113.432 -0.432 18978 13144 1 17 . 1 1 82 82 GLY C C 82 174.600 174.600 174.120 0.480 18978 13145 1 17 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.560 2.310 18978 13146 1 17 . 1 1 82 82 GLY H H 82 8.210 8.210 8.727 -0.517 18978 13147 1 17 . 1 1 83 83 ILE N N 83 121.200 121.200 118.907 2.293 18978 13148 1 17 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.859 -0.519 18978 13149 1 17 . 1 1 83 83 ILE C C 83 175.000 175.000 176.298 -1.298 18978 13150 1 17 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.166 2.545 18978 13151 1 17 . 1 1 83 83 ILE CB C 83 37.490 37.490 38.012 -0.522 18978 13152 1 17 . 1 1 83 83 ILE H H 83 8.350 8.350 7.979 0.371 18978 13153 1 17 . 1 1 84 84 LYS N N 84 129.400 129.400 128.811 0.589 18978 13154 1 17 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.369 0.121 18978 13155 1 17 . 1 1 84 84 LYS C C 84 175.000 175.000 176.372 -1.372 18978 13156 1 17 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.843 -0.773 18978 13157 1 17 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.266 0.224 18978 13158 1 17 . 1 1 84 84 LYS H H 84 9.160 9.160 8.761 0.399 18978 13159 1 17 . 1 1 85 85 ASP N N 85 117.500 117.500 116.952 0.548 18978 13160 1 17 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.867 -0.087 18978 13161 1 17 . 1 1 85 85 ASP C C 85 173.200 173.200 173.689 -0.489 18978 13162 1 17 . 1 1 85 85 ASP CA C 85 53.090 53.090 54.055 -0.965 18978 13163 1 17 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.215 -0.725 18978 13164 1 17 . 1 1 85 85 ASP H H 85 7.990 7.990 7.886 0.104 18978 13165 1 17 . 1 1 86 86 VAL N N 86 119.400 119.400 121.857 -2.457 18978 13166 1 17 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.564 0.606 18978 13167 1 17 . 1 1 86 86 VAL C C 86 172.500 172.500 175.025 -2.525 18978 13168 1 17 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.861 -1.111 18978 13169 1 17 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.246 0.914 18978 13170 1 17 . 1 1 86 86 VAL H H 86 8.210 8.210 8.412 -0.202 18978 13171 1 17 . 1 1 87 87 ILE N N 87 127.100 127.100 127.627 -0.527 18978 13172 1 17 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.457 -0.247 18978 13173 1 17 . 1 1 87 87 ILE C C 87 173.600 173.600 174.128 -0.528 18978 13174 1 17 . 1 1 87 87 ILE CA C 87 60.470 60.470 59.007 1.463 18978 13175 1 17 . 1 1 87 87 ILE CB C 87 41.490 41.490 39.509 1.981 18978 13176 1 17 . 1 1 87 87 ILE H H 87 9.190 9.190 8.750 0.440 18978 13177 1 17 . 1 1 88 88 LEU N N 88 125.700 125.700 128.539 -2.839 18978 13178 1 17 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.735 0.305 18978 13179 1 17 . 1 1 88 88 LEU C C 88 174.500 174.500 175.194 -0.694 18978 13180 1 17 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.088 -1.148 18978 13181 1 17 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.880 -1.370 18978 13182 1 17 . 1 1 88 88 LEU H H 88 7.840 7.840 8.418 -0.578 18978 13183 1 17 . 1 1 89 89 ASP N N 89 127.800 127.800 125.201 2.599 18978 13184 1 17 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.991 -0.221 18978 13185 1 17 . 1 1 89 89 ASP C C 89 174.100 174.100 176.569 -2.469 18978 13186 1 17 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.323 0.297 18978 13187 1 17 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.492 -0.422 18978 13188 1 17 . 1 1 89 89 ASP H H 89 8.280 8.280 8.706 -0.426 18978 13189 1 17 . 1 1 90 90 GLU N N 90 122.400 122.400 123.157 -0.757 18978 13190 1 17 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.073 -0.223 18978 13191 1 17 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.620 -0.790 18978 13192 1 17 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.812 -0.402 18978 13193 1 17 . 1 1 90 90 GLU H H 90 8.980 8.980 8.708 0.272 18978 13194 1 17 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.882 -0.602 18978 13195 1 17 . 1 1 91 91 ASN C C 91 173.600 173.600 173.526 0.074 18978 13196 1 17 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.895 1.265 18978 13197 1 17 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.902 -0.002 18978 13198 1 17 . 1 1 92 92 LEU N N 92 117.400 117.400 119.221 -1.821 18978 13199 1 17 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.717 0.313 18978 13200 1 17 . 1 1 92 92 LEU C C 92 174.700 174.700 174.277 0.423 18978 13201 1 17 . 1 1 92 92 LEU CA C 92 53.700 53.700 54.554 -0.854 18978 13202 1 17 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.967 0.283 18978 13203 1 17 . 1 1 92 92 LEU H H 92 7.110 7.110 7.772 -0.662 18978 13204 1 17 . 1 1 93 93 ILE N N 93 121.300 121.300 122.133 -0.833 18978 13205 1 17 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.551 -0.101 18978 13206 1 17 . 1 1 93 93 ILE C C 93 174.000 174.000 174.523 -0.523 18978 13207 1 17 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.812 0.159 18978 13208 1 17 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.219 0.411 18978 13209 1 17 . 1 1 93 93 ILE H H 93 8.450 8.450 8.545 -0.095 18978 13210 1 17 . 1 1 94 94 VAL N N 94 128.000 128.000 127.758 0.242 18978 13211 1 17 . 1 1 94 94 VAL HA H 94 4.840 4.840 5.018 -0.178 18978 13212 1 17 . 1 1 94 94 VAL C C 94 174.000 174.000 174.729 -0.729 18978 13213 1 17 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.790 0.310 18978 13214 1 17 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.269 -2.149 18978 13215 1 17 . 1 1 94 94 VAL H H 94 8.970 8.970 8.423 0.547 18978 13216 1 17 . 1 1 95 95 VAL N N 95 127.700 127.700 126.772 0.928 18978 13217 1 17 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.607 0.063 18978 13218 1 17 . 1 1 95 95 VAL C C 95 173.300 173.300 174.663 -1.363 18978 13219 1 17 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.982 -0.142 18978 13220 1 17 . 1 1 95 95 VAL CB C 95 34.240 34.240 35.100 -0.860 18978 13221 1 17 . 1 1 95 95 VAL H H 95 9.420 9.420 8.578 0.842 18978 13222 1 17 . 1 1 96 96 ILE N N 96 126.000 126.000 127.207 -1.207 18978 13223 1 17 . 1 1 96 96 ILE HA H 96 5.220 5.220 5.038 0.182 18978 13224 1 17 . 1 1 96 96 ILE C C 96 177.100 177.100 175.712 1.388 18978 13225 1 17 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.732 -0.162 18978 13226 1 17 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.453 0.297 18978 13227 1 17 . 1 1 96 96 ILE H H 96 8.460 8.460 8.762 -0.302 18978 13228 1 17 . 1 1 97 97 THR N N 97 118.100 118.100 118.019 0.081 18978 13229 1 17 . 1 1 97 97 THR HA H 97 5.250 5.250 4.901 0.349 18978 13230 1 17 . 1 1 97 97 THR C C 97 176.300 176.300 176.142 0.158 18978 13231 1 17 . 1 1 97 97 THR CA C 97 59.650 59.650 59.634 0.016 18978 13232 1 17 . 1 1 97 97 THR CB C 97 71.890 71.890 71.510 0.380 18978 13233 1 17 . 1 1 97 97 THR H H 97 9.050 9.050 8.369 0.681 18978 13234 1 17 . 1 1 98 98 GLU N N 98 120.100 120.100 122.765 -2.665 18978 13235 1 17 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.971 0.149 18978 13236 1 17 . 1 1 98 98 GLU C C 98 176.200 176.200 177.976 -1.776 18978 13237 1 17 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.927 -2.037 18978 13238 1 17 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.434 0.096 18978 13239 1 17 . 1 1 98 98 GLU H H 98 9.220 9.220 8.258 0.962 18978 13240 1 17 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.299 -0.149 18978 13241 1 17 . 1 1 99 99 GLU C C 99 174.200 174.200 175.954 -1.754 18978 13242 1 17 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.203 2.007 18978 13243 1 17 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.849 1.021 18978 13244 1 17 . 1 1 100 100 ASN N N 100 113.200 113.200 114.684 -1.484 18978 13245 1 17 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.419 -0.309 18978 13246 1 17 . 1 1 100 100 ASN C C 100 173.700 173.700 173.441 0.259 18978 13247 1 17 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.465 -0.065 18978 13248 1 17 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.320 -0.460 18978 13249 1 17 . 1 1 100 100 ASN H H 100 8.020 8.020 8.081 -0.061 18978 13250 1 17 . 1 1 101 101 GLU N N 101 115.500 115.500 118.199 -2.699 18978 13251 1 17 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.828 0.322 18978 13252 1 17 . 1 1 101 101 GLU C C 101 174.900 174.900 174.374 0.526 18978 13253 1 17 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.131 -0.081 18978 13254 1 17 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.390 -1.990 18978 13255 1 17 . 1 1 101 101 GLU H H 101 7.230 7.230 7.329 -0.099 18978 13256 1 17 . 1 1 102 102 VAL N N 102 122.700 122.700 124.522 -1.822 18978 13257 1 17 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.472 0.448 18978 13258 1 17 . 1 1 102 102 VAL C C 102 173.700 173.700 174.466 -0.766 18978 13259 1 17 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.476 -0.556 18978 13260 1 17 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.360 0.450 18978 13261 1 17 . 1 1 102 102 VAL H H 102 8.710 8.710 8.698 0.012 18978 13262 1 17 . 1 1 103 103 LEU N N 103 127.300 127.300 128.309 -1.009 18978 13263 1 17 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.713 -0.413 18978 13264 1 17 . 1 1 103 103 LEU C C 103 174.500 174.500 175.297 -0.797 18978 13265 1 17 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.777 0.043 18978 13266 1 17 . 1 1 103 103 LEU H H 103 9.140 9.140 8.382 0.758 18978 13267 1 17 . 1 1 104 104 ILE N N 104 122.200 122.200 122.135 0.065 18978 13268 1 17 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.676 0.064 18978 13269 1 17 . 1 1 104 104 ILE C C 104 173.600 173.600 174.530 -0.930 18978 13270 1 17 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.340 -0.120 18978 13271 1 17 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.550 -0.400 18978 13272 1 17 . 1 1 104 104 ILE H H 104 8.470 8.470 8.233 0.237 18978 13273 1 17 . 1 1 105 105 PHE N N 105 126.600 126.600 125.446 1.154 18978 13274 1 17 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.700 -0.130 18978 13275 1 17 . 1 1 105 105 PHE C C 105 175.800 175.800 175.356 0.444 18978 13276 1 17 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.761 -0.311 18978 13277 1 17 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.341 1.329 18978 13278 1 17 . 1 1 105 105 PHE H H 105 9.330 9.330 9.056 0.274 18978 13279 1 17 . 1 1 106 106 ASN N N 106 116.000 116.000 118.598 -2.598 18978 13280 1 17 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.022 0.448 18978 13281 1 17 . 1 1 106 106 ASN C C 106 176.700 176.700 177.165 -0.465 18978 13282 1 17 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.339 -0.839 18978 13283 1 17 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.443 -0.843 18978 13284 1 17 . 1 1 106 106 ASN H H 106 7.710 7.710 8.245 -0.535 18978 13285 1 17 . 1 1 107 107 GLN N N 107 114.500 114.500 119.411 -4.911 18978 13286 1 17 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.022 -0.132 18978 13287 1 17 . 1 1 107 107 GLN C C 107 173.700 173.700 175.902 -2.202 18978 13288 1 17 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.128 -1.618 18978 13289 1 17 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.423 -1.333 18978 13290 1 17 . 1 1 107 107 GLN H H 107 8.040 8.040 8.819 -0.779 18978 13291 1 17 . 1 1 108 108 ASN N N 108 115.800 115.800 116.076 -0.276 18978 13292 1 17 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.641 0.029 18978 13293 1 17 . 1 1 108 108 ASN C C 108 173.600 173.600 175.051 -1.451 18978 13294 1 17 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.605 -0.515 18978 13295 1 17 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.164 0.696 18978 13296 1 17 . 1 1 108 108 ASN H H 108 7.440 7.440 8.090 -0.650 18978 13297 1 17 . 1 1 109 109 LEU N N 109 115.200 115.200 118.981 -3.781 18978 13298 1 17 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.818 -0.288 18978 13299 1 17 . 1 1 109 109 LEU C C 109 174.700 174.700 175.470 -0.770 18978 13300 1 17 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.158 -0.388 18978 13301 1 17 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.549 -1.849 18978 13302 1 17 . 1 1 109 109 LEU H H 109 8.220 8.220 7.689 0.531 18978 13303 1 17 . 1 1 110 110 GLU N N 110 117.600 117.600 118.204 -0.604 18978 13304 1 17 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.649 -0.229 18978 13305 1 17 . 1 1 110 110 GLU C C 110 175.800 175.800 175.206 0.594 18978 13306 1 17 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.686 0.494 18978 13307 1 17 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.659 -3.839 18978 13308 1 17 . 1 1 110 110 GLU H H 110 7.550 7.550 8.117 -0.567 18978 13309 1 17 . 1 1 111 111 GLU N N 111 125.900 125.900 122.353 3.547 18978 13310 1 17 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.181 -0.351 18978 13311 1 17 . 1 1 111 111 GLU C C 111 175.400 175.400 176.031 -0.631 18978 13312 1 17 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.190 -0.550 18978 13313 1 17 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.832 0.788 18978 13314 1 17 . 1 1 111 111 GLU H H 111 8.350 8.350 8.827 -0.477 18978 13315 1 17 . 1 1 112 112 LEU N N 112 128.000 128.000 128.512 -0.512 18978 13316 1 17 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.488 -0.218 18978 13317 1 17 . 1 1 112 112 LEU C C 112 176.100 176.100 176.444 -0.344 18978 13318 1 17 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.314 -0.284 18978 13319 1 17 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.242 -1.472 18978 13320 1 17 . 1 1 112 112 LEU H H 112 9.110 9.110 8.310 0.800 18978 13321 1 17 . 1 1 113 113 TYR N N 113 116.300 116.300 119.345 -3.045 18978 13322 1 17 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.655 -0.325 18978 13323 1 17 . 1 1 113 113 TYR C C 113 171.700 171.700 172.995 -1.295 18978 13324 1 17 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.488 0.472 18978 13325 1 17 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.226 -0.506 18978 13326 1 17 . 1 1 113 113 TYR H H 113 7.250 7.250 7.494 -0.244 18978 13327 1 17 . 1 1 114 114 ARG N N 114 126.200 126.200 126.869 -0.669 18978 13328 1 17 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.918 0.102 18978 13329 1 17 . 1 1 114 114 ARG C C 114 173.500 173.500 174.324 -0.824 18978 13330 1 17 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.896 -0.276 18978 13331 1 17 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.487 0.963 18978 13332 1 17 . 1 1 114 114 ARG H H 114 6.560 6.560 7.983 -1.423 18978 13333 1 17 . 1 1 115 115 GLY N N 115 111.300 111.300 112.833 -1.533 18978 13334 1 17 . 1 1 115 115 GLY C C 115 178.100 178.100 171.280 6.820 18978 13335 1 17 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.565 -0.155 18978 13336 1 17 . 1 1 115 115 GLY H H 115 8.320 8.320 8.229 0.091 18978 13337 1 17 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.554 0.216 18978 13338 1 17 . 1 1 116 116 LYS C C 116 174.400 174.400 174.733 -0.333 18978 13339 1 17 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.175 0.015 18978 13340 1 17 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.036 -0.696 18978 13341 1 17 . 1 1 117 117 PHE N N 117 125.800 125.800 123.516 2.284 18978 13342 1 17 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.850 -0.300 18978 13343 1 17 . 1 1 117 117 PHE C C 117 174.000 174.000 176.374 -2.374 18978 13344 1 17 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.004 -0.154 18978 13345 1 17 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.828 0.332 18978 13346 1 17 . 1 1 117 117 PHE H H 117 8.090 8.090 8.486 -0.396 18978 13347 1 17 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.889 -0.229 18978 13348 1 17 . 1 1 119 119 ASN C C 119 173.500 173.500 174.276 -0.776 18978 13349 1 17 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.540 -0.060 18978 13350 1 17 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.397 -0.207 18978 13351 1 17 . 1 1 120 120 LEU N N 120 120.200 120.200 121.392 -1.192 18978 13352 1 17 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.018 -0.188 18978 13353 1 17 . 1 1 120 120 LEU C C 120 175.000 175.000 175.836 -0.836 18978 13354 1 17 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.459 -0.189 18978 13355 1 17 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.148 0.622 18978 13356 1 17 . 1 1 120 120 LEU H H 120 6.900 6.900 7.578 -0.678 18978 13357 1 17 . 1 1 121 121 ASN N N 121 124.200 124.200 125.381 -1.181 18978 13358 1 17 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.859 0.031 18978 13359 1 17 . 1 1 121 121 ASN C C 121 174.300 174.300 174.974 -0.674 18978 13360 1 17 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.271 -0.391 18978 13361 1 17 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.948 -0.508 18978 13362 1 17 . 1 1 121 121 ASN H H 121 8.900 8.900 8.626 0.274 18978 13363 1 17 . 1 1 122 122 LYS N N 122 115.100 115.100 117.810 -2.710 18978 13364 1 17 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.648 -0.178 18978 13365 1 17 . 1 1 122 122 LYS C C 122 172.500 172.500 174.157 -1.657 18978 13366 1 17 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.956 -0.256 18978 13367 1 17 . 1 1 122 122 LYS CB C 122 35.660 35.660 35.685 -0.025 18978 13368 1 17 . 1 1 122 122 LYS H H 122 7.410 7.410 7.753 -0.343 18978 13369 1 17 . 1 1 123 123 VAL N N 123 121.500 121.500 120.554 0.946 18978 13370 1 17 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.502 0.318 18978 13371 1 17 . 1 1 123 123 VAL C C 123 173.400 173.400 175.167 -1.767 18978 13372 1 17 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.380 -0.690 18978 13373 1 17 . 1 1 123 123 VAL CB C 123 34.150 34.150 34.213 -0.063 18978 13374 1 17 . 1 1 123 123 VAL H H 123 7.730 7.730 8.429 -0.699 18978 13375 1 17 . 1 1 124 124 LEU N N 124 126.600 126.600 129.194 -2.594 18978 13376 1 17 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.817 -0.097 18978 13377 1 17 . 1 1 124 124 LEU C C 124 174.200 174.200 175.347 -1.147 18978 13378 1 17 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.133 -0.753 18978 13379 1 17 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.242 0.869 18978 13380 1 17 . 1 1 124 124 LEU H H 124 9.060 9.060 8.656 0.404 18978 13381 1 17 . 1 1 125 125 VAL N N 125 120.300 120.300 121.877 -1.577 18978 13382 1 17 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.511 0.159 18978 13383 1 17 . 1 1 125 125 VAL C C 125 174.700 174.700 175.028 -0.328 18978 13384 1 17 . 1 1 125 125 VAL CA C 125 60.290 60.290 61.562 -1.272 18978 13385 1 17 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.843 0.407 18978 13386 1 17 . 1 1 125 125 VAL H H 125 8.030 8.030 8.470 -0.440 18978 13387 1 17 . 1 1 126 126 ARG N N 126 127.100 127.100 127.651 -0.551 18978 13388 1 17 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.694 -0.224 18978 13389 1 17 . 1 1 126 126 ARG C C 126 174.400 174.400 175.263 -0.863 18978 13390 1 17 . 1 1 126 126 ARG CA C 126 55.830 55.830 55.112 0.718 18978 13391 1 17 . 1 1 126 126 ARG CB C 126 31.300 31.300 33.269 -1.968 18978 13392 1 17 . 1 1 126 126 ARG H H 126 8.630 8.630 8.435 0.195 18978 13393 1 17 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.279 0.011 18978 13394 1 17 . 1 1 127 127 ASN C C 127 172.600 172.600 174.824 -2.224 18978 13395 1 17 . 1 1 127 127 ASN CA C 127 56.060 56.060 56.358 -0.298 18978 13396 1 17 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.548 -0.598 18978 13397 1 17 . 1 1 128 128 ASP N N 128 117.600 117.600 120.155 -2.555 18978 13398 1 17 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.662 -0.212 18978 13399 1 17 . 1 1 128 128 ASP C C 128 174.000 174.000 175.431 -1.431 18978 13400 1 17 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.987 -0.467 18978 13401 1 17 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.661 -1.851 18978 13402 1 17 . 1 1 128 128 ASP H H 128 8.560 8.560 8.313 0.247 18978 13403 1 17 . 1 1 129 129 LEU N N 129 121.500 121.500 120.994 0.506 18978 13404 1 17 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.628 0.442 18978 13405 1 17 . 1 1 129 129 LEU C C 129 174.800 174.800 175.000 -0.200 18978 13406 1 17 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.382 -0.582 18978 13407 1 17 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.323 0.797 18978 13408 1 17 . 1 1 129 129 LEU H H 129 7.730 7.730 8.014 -0.284 18978 13409 1 17 . 1 1 130 130 VAL N N 130 120.600 120.600 121.941 -1.341 18978 13410 1 17 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.564 0.146 18978 13411 1 17 . 1 1 130 130 VAL C C 130 173.500 173.500 174.493 -0.993 18978 13412 1 17 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.579 -0.059 18978 13413 1 17 . 1 1 130 130 VAL CB C 130 33.750 33.750 33.845 -0.095 18978 13414 1 17 . 1 1 130 130 VAL H H 130 8.410 8.410 8.049 0.361 18978 13415 1 17 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.823 -0.223 18978 13416 1 17 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.588 0.002 18978 13417 1 17 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.562 -1.702 18978 13418 1 17 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.318 -0.018 18978 13419 1 17 . 1 1 132 132 ILE C C 132 174.900 174.900 174.389 0.511 18978 13420 1 17 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.347 0.133 18978 13421 1 17 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.281 -0.231 18978 13422 1 17 . 1 1 133 133 ILE N N 133 126.200 126.200 127.227 -1.027 18978 13423 1 17 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.456 0.214 18978 13424 1 17 . 1 1 133 133 ILE C C 133 174.200 174.200 174.205 -0.005 18978 13425 1 17 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.547 1.383 18978 13426 1 17 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.723 1.397 18978 13427 1 17 . 1 1 133 133 ILE H H 133 8.490 8.490 8.509 -0.019 18978 13428 1 17 . 1 1 134 134 ASP N N 134 130.100 130.100 125.833 4.267 18978 13429 1 17 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.232 -0.282 18978 13430 1 17 . 1 1 134 134 ASP C C 134 174.600 174.600 176.720 -2.120 18978 13431 1 17 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.952 0.438 18978 13432 1 17 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.060 -0.690 18978 13433 1 17 . 1 1 134 134 ASP H H 134 8.360 8.360 8.277 0.083 18978 13434 1 17 . 1 1 135 135 GLU N N 135 118.000 118.000 121.197 -3.197 18978 13435 1 17 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.934 0.276 18978 13436 1 17 . 1 1 135 135 GLU C C 135 176.200 176.200 177.390 -1.190 18978 13437 1 17 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.257 -0.507 18978 13438 1 17 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.685 0.605 18978 13439 1 17 . 1 1 135 135 GLU H H 135 7.840 7.840 8.348 -0.508 18978 13440 1 17 . 1 1 136 136 GLN N N 136 115.200 115.200 115.084 0.116 18978 13441 1 17 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.330 0.540 18978 13442 1 17 . 1 1 136 136 GLN C C 136 174.900 174.900 175.578 -0.678 18978 13443 1 17 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.485 -0.985 18978 13444 1 17 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.249 0.681 18978 13445 1 17 . 1 1 136 136 GLN H H 136 8.860 8.860 8.039 0.821 18978 13446 1 17 . 1 1 137 137 LYS N N 137 118.100 118.100 117.167 0.933 18978 13447 1 17 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.539 0.371 18978 13448 1 17 . 1 1 137 137 LYS C C 137 172.400 172.400 174.020 -1.620 18978 13449 1 17 . 1 1 137 137 LYS CA C 137 55.900 55.900 54.744 1.156 18978 13450 1 17 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.937 -0.397 18978 13451 1 17 . 1 1 137 137 LYS H H 137 8.260 8.260 8.033 0.227 18978 13452 1 17 . 1 1 138 138 LEU N N 138 123.500 123.500 123.798 -0.298 18978 13453 1 17 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.899 -0.039 18978 13454 1 17 . 1 1 138 138 LEU C C 138 174.400 174.400 176.135 -1.735 18978 13455 1 17 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.598 -0.088 18978 13456 1 17 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.319 0.640 18978 13457 1 17 . 1 1 138 138 LEU H H 138 8.410 8.410 8.560 -0.150 18978 13458 1 17 . 1 1 139 139 THR N N 139 123.600 123.600 123.263 0.337 18978 13459 1 17 . 1 1 139 139 THR HA H 139 4.830 4.830 4.573 0.257 18978 13460 1 17 . 1 1 139 139 THR C C 139 171.400 171.400 172.581 -1.181 18978 13461 1 17 . 1 1 139 139 THR CA C 139 62.240 62.240 61.795 0.445 18978 13462 1 17 . 1 1 139 139 THR CB C 139 70.120 70.120 69.959 0.161 18978 13463 1 17 . 1 1 139 139 THR H H 139 8.820 8.820 8.303 0.517 18978 13464 1 17 . 1 1 140 140 LEU N N 140 130.500 130.500 129.257 1.243 18978 13465 1 17 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.581 0.449 18978 13466 1 17 . 1 1 140 140 LEU C C 140 173.700 173.700 175.143 -1.443 18978 13467 1 17 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.344 -0.964 18978 13468 1 17 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.889 1.001 18978 13469 1 17 . 1 1 140 140 LEU H H 140 9.250 9.250 8.626 0.624 18978 13470 1 17 . 1 1 141 141 ILE N N 141 127.300 127.300 128.647 -1.347 18978 13471 1 17 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.325 0.335 18978 13472 1 17 . 1 1 141 141 ILE C C 141 174.200 174.200 174.447 -0.247 18978 13473 1 17 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.521 -1.011 18978 13474 1 17 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.764 -0.914 18978 13475 1 17 . 1 1 141 141 ILE H H 141 9.140 9.140 8.592 0.548 18978 13476 1 17 . 1 1 142 142 ARG N N 142 126.500 126.500 127.413 -0.913 18978 13477 1 17 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.578 0.302 18978 13478 1 17 . 1 1 142 142 ARG C C 142 175.100 175.100 175.783 -0.683 18978 13479 1 17 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.408 -0.868 18978 13480 1 17 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.906 -0.406 18978 13481 1 17 . 1 1 142 142 ARG H H 142 8.550 8.550 8.707 -0.157 18978 13482 1 18 . 1 1 -2 -2 GLY N N -2 110.000 110.000 112.030 -2.030 18978 13483 1 18 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.639 0.511 18978 13484 1 18 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.147 0.243 18978 13485 1 18 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.420 -2.690 18978 13486 1 18 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.244 -0.204 18978 13487 1 18 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.823 0.057 18978 13488 1 18 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.218 -0.108 18978 13489 1 18 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.874 -0.114 18978 13490 1 18 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.203 -0.333 18978 13491 1 18 . 1 1 0 0 ILE N N 0 125.570 125.570 127.069 -1.499 18978 13492 1 18 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.551 -0.461 18978 13493 1 18 . 1 1 0 0 ILE C C 0 175.850 175.850 175.088 0.762 18978 13494 1 18 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.863 -0.063 18978 13495 1 18 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.431 -0.961 18978 13496 1 18 . 1 1 0 0 ILE H H 0 8.230 8.230 8.295 -0.065 18978 13497 1 18 . 1 1 1 1 MET N N 1 125.930 125.930 123.535 2.395 18978 13498 1 18 . 1 1 1 1 MET HA H 1 4.540 4.540 4.830 -0.290 18978 13499 1 18 . 1 1 1 1 MET C C 1 174.830 174.830 174.688 0.142 18978 13500 1 18 . 1 1 1 1 MET CA C 1 54.790 54.790 54.682 0.108 18978 13501 1 18 . 1 1 1 1 MET CB C 1 32.640 32.640 35.416 -2.776 18978 13502 1 18 . 1 1 1 1 MET H H 1 8.370 8.370 8.285 0.085 18978 13503 1 18 . 1 1 2 2 SER N N 2 116.400 116.400 116.617 -0.217 18978 13504 1 18 . 1 1 2 2 SER HA H 2 5.030 5.030 5.025 0.005 18978 13505 1 18 . 1 1 2 2 SER C C 2 174.330 174.330 173.421 0.909 18978 13506 1 18 . 1 1 2 2 SER CA C 2 57.320 57.320 57.388 -0.068 18978 13507 1 18 . 1 1 2 2 SER CB C 2 64.790 64.790 66.932 -2.142 18978 13508 1 18 . 1 1 2 2 SER H H 2 7.990 7.990 8.364 -0.374 18978 13509 1 18 . 1 1 3 3 GLU N N 3 123.670 123.670 120.535 3.135 18978 13510 1 18 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.398 -0.148 18978 13511 1 18 . 1 1 3 3 GLU C C 3 172.980 172.980 174.395 -1.415 18978 13512 1 18 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.940 -0.550 18978 13513 1 18 . 1 1 3 3 GLU CB C 3 33.910 33.910 33.915 -0.005 18978 13514 1 18 . 1 1 3 3 GLU H H 3 9.430 9.430 8.552 0.878 18978 13515 1 18 . 1 1 4 4 LEU N N 4 125.350 125.350 124.642 0.708 18978 13516 1 18 . 1 1 4 4 LEU HA H 4 4.870 4.870 5.081 -0.211 18978 13517 1 18 . 1 1 4 4 LEU C C 4 174.000 174.000 174.735 -0.735 18978 13518 1 18 . 1 1 4 4 LEU CA C 4 53.020 53.020 54.114 -1.094 18978 13519 1 18 . 1 1 4 4 LEU CB C 4 46.040 46.040 46.107 -0.067 18978 13520 1 18 . 1 1 4 4 LEU H H 4 8.930 8.930 8.614 0.316 18978 13521 1 18 . 1 1 5 5 LYS N N 5 124.640 124.640 126.208 -1.568 18978 13522 1 18 . 1 1 5 5 LYS HA H 5 5.360 5.360 4.982 0.378 18978 13523 1 18 . 1 1 5 5 LYS C C 5 175.660 175.660 175.226 0.434 18978 13524 1 18 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.021 -0.081 18978 13525 1 18 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.315 -0.035 18978 13526 1 18 . 1 1 5 5 LYS H H 5 8.840 8.840 8.337 0.503 18978 13527 1 18 . 1 1 6 6 LEU N N 6 123.460 123.460 124.993 -1.533 18978 13528 1 18 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.086 0.344 18978 13529 1 18 . 1 1 6 6 LEU C C 6 174.630 174.630 175.239 -0.609 18978 13530 1 18 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.401 -0.501 18978 13531 1 18 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.026 1.884 18978 13532 1 18 . 1 1 6 6 LEU H H 6 8.820 8.820 8.285 0.535 18978 13533 1 18 . 1 1 7 7 LYS N N 7 122.230 122.230 122.487 -0.257 18978 13534 1 18 . 1 1 7 7 LYS HA H 7 5.490 5.490 4.983 0.507 18978 13535 1 18 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.556 -0.286 18978 13536 1 18 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.598 0.902 18978 13537 1 18 . 1 1 7 7 LYS H H 7 9.110 9.110 8.465 0.645 18978 13538 1 18 . 1 1 8 8 PRO HA H 8 4.100 4.100 5.023 -0.923 18978 13539 1 18 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.694 -0.254 18978 13540 1 18 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.812 -2.171 18978 13541 1 18 . 1 1 9 9 LEU N N 9 123.250 123.250 123.656 -0.406 18978 13542 1 18 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.386 -0.066 18978 13543 1 18 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.684 0.995 18978 13544 1 18 . 1 1 9 9 LEU CB C 9 38.760 38.760 39.991 -1.231 18978 13545 1 18 . 1 1 9 9 LEU H H 9 8.490 8.490 8.149 0.341 18978 13546 1 18 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.471 0.059 18978 13547 1 18 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.116 0.764 18978 13548 1 18 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.144 -0.724 18978 13549 1 18 . 1 1 11 11 LYS N N 11 119.160 119.160 121.892 -2.732 18978 13550 1 18 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.269 -0.159 18978 13551 1 18 . 1 1 11 11 LYS C C 11 175.680 175.680 175.683 -0.003 18978 13552 1 18 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.228 -0.018 18978 13553 1 18 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.959 -1.299 18978 13554 1 18 . 1 1 11 11 LYS H H 11 8.180 8.180 8.394 -0.214 18978 13555 1 18 . 1 1 12 12 VAL N N 12 121.820 121.820 123.785 -1.965 18978 13556 1 18 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.294 -0.014 18978 13557 1 18 . 1 1 12 12 VAL C C 12 173.690 173.690 174.720 -1.030 18978 13558 1 18 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.890 -1.060 18978 13559 1 18 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.520 -0.970 18978 13560 1 18 . 1 1 12 12 VAL H H 12 7.530 7.530 7.895 -0.365 18978 13561 1 18 . 1 1 13 13 GLU N N 13 125.610 125.610 124.452 1.158 18978 13562 1 18 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.494 -0.164 18978 13563 1 18 . 1 1 13 13 GLU C C 13 175.390 175.390 175.456 -0.066 18978 13564 1 18 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.923 -0.703 18978 13565 1 18 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.359 -0.389 18978 13566 1 18 . 1 1 13 13 GLU H H 13 8.270 8.270 8.509 -0.239 18978 13567 1 18 . 1 1 14 14 LEU N N 14 125.880 125.880 126.253 -0.373 18978 13568 1 18 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.523 -0.003 18978 13569 1 18 . 1 1 14 14 LEU CA C 14 51.660 51.660 51.980 -0.320 18978 13570 1 18 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.797 -0.047 18978 13571 1 18 . 1 1 14 14 LEU H H 14 8.480 8.480 8.305 0.175 18978 13572 1 18 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.621 0.139 18978 13573 1 18 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.941 -0.611 18978 13574 1 18 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.320 -0.260 18978 13575 1 18 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.228 0.162 18978 13576 1 18 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.154 -0.604 18978 13577 1 18 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.818 -0.048 18978 13578 1 18 . 1 1 17 17 ASP N N 17 115.820 115.820 115.327 0.493 18978 13579 1 18 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.700 -0.080 18978 13580 1 18 . 1 1 17 17 ASP C C 17 177.100 177.100 176.907 0.193 18978 13581 1 18 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.906 -0.015 18978 13582 1 18 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.827 0.293 18978 13583 1 18 . 1 1 17 17 ASP H H 17 8.560 8.560 8.731 -0.171 18978 13584 1 18 . 1 1 18 18 PHE N N 18 119.610 119.610 122.327 -2.717 18978 13585 1 18 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.159 0.021 18978 13586 1 18 . 1 1 18 18 PHE C C 18 176.740 176.740 176.771 -0.031 18978 13587 1 18 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.705 -0.685 18978 13588 1 18 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.366 -0.136 18978 13589 1 18 . 1 1 18 18 PHE H H 18 7.940 7.940 7.784 0.156 18978 13590 1 18 . 1 1 19 19 VAL N N 19 116.370 116.370 119.001 -2.631 18978 13591 1 18 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.637 -0.287 18978 13592 1 18 . 1 1 19 19 VAL C C 19 176.400 176.400 177.250 -0.850 18978 13593 1 18 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.115 0.395 18978 13594 1 18 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.195 -0.175 18978 13595 1 18 . 1 1 19 19 VAL H H 19 8.010 8.010 8.276 -0.266 18978 13596 1 18 . 1 1 20 20 ASP N N 20 119.190 119.190 119.542 -0.352 18978 13597 1 18 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.327 -0.017 18978 13598 1 18 . 1 1 20 20 ASP C C 20 178.360 178.360 179.143 -0.783 18978 13599 1 18 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.885 -0.775 18978 13600 1 18 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.268 0.182 18978 13601 1 18 . 1 1 20 20 ASP H H 20 7.420 7.420 7.529 -0.109 18978 13602 1 18 . 1 1 21 21 VAL N N 21 119.830 119.830 120.283 -0.453 18978 13603 1 18 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.568 -0.058 18978 13604 1 18 . 1 1 21 21 VAL C C 21 178.100 178.100 178.031 0.069 18978 13605 1 18 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.159 -0.589 18978 13606 1 18 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.631 -0.221 18978 13607 1 18 . 1 1 21 21 VAL H H 21 7.190 7.190 7.374 -0.184 18978 13608 1 18 . 1 1 22 22 ILE N N 22 118.490 118.490 119.104 -0.614 18978 13609 1 18 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.542 -0.372 18978 13610 1 18 . 1 1 22 22 ILE C C 22 176.660 176.660 177.994 -1.334 18978 13611 1 18 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.515 1.705 18978 13612 1 18 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.200 1.300 18978 13613 1 18 . 1 1 22 22 ILE H H 22 7.660 7.660 7.630 0.030 18978 13614 1 18 . 1 1 23 23 ARG N N 23 118.260 118.260 120.558 -2.298 18978 13615 1 18 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.938 -0.558 18978 13616 1 18 . 1 1 23 23 ARG C C 23 178.060 178.060 178.854 -0.794 18978 13617 1 18 . 1 1 23 23 ARG CA C 23 60.570 60.570 60.001 0.569 18978 13618 1 18 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.090 -0.020 18978 13619 1 18 . 1 1 23 23 ARG H H 23 7.830 7.830 7.847 -0.017 18978 13620 1 18 . 1 1 24 24 ILE N N 24 116.750 116.750 119.063 -2.313 18978 13621 1 18 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.783 -0.063 18978 13622 1 18 . 1 1 24 24 ILE C C 24 179.090 179.090 178.101 0.989 18978 13623 1 18 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.503 -0.443 18978 13624 1 18 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.833 0.197 18978 13625 1 18 . 1 1 24 24 ILE H H 24 7.350 7.350 7.661 -0.311 18978 13626 1 18 . 1 1 25 25 LYS N N 25 118.700 118.700 118.437 0.263 18978 13627 1 18 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.957 0.133 18978 13628 1 18 . 1 1 25 25 LYS C C 25 178.560 178.560 178.702 -0.142 18978 13629 1 18 . 1 1 25 25 LYS CA C 25 57.650 57.650 59.502 -1.851 18978 13630 1 18 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.782 -0.692 18978 13631 1 18 . 1 1 25 25 LYS H H 25 7.880 7.880 7.529 0.351 18978 13632 1 18 . 1 1 26 26 LEU N N 26 116.380 116.380 118.180 -1.800 18978 13633 1 18 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.100 0.130 18978 13634 1 18 . 1 1 26 26 LEU C C 26 175.880 175.880 177.075 -1.195 18978 13635 1 18 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.898 -1.808 18978 13636 1 18 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.487 0.823 18978 13637 1 18 . 1 1 26 26 LEU H H 26 7.860 7.860 7.863 -0.003 18978 13638 1 18 . 1 1 27 27 GLN N N 27 119.210 119.210 117.249 1.961 18978 13639 1 18 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.871 -0.341 18978 13640 1 18 . 1 1 27 27 GLN C C 27 177.480 177.480 177.178 0.302 18978 13641 1 18 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.274 1.096 18978 13642 1 18 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.689 -0.389 18978 13643 1 18 . 1 1 27 27 GLN H H 27 7.190 7.190 7.681 -0.491 18978 13644 1 18 . 1 1 28 28 GLY N N 28 113.490 113.490 112.474 1.016 18978 13645 1 18 . 1 1 28 28 GLY C C 28 174.070 174.070 174.415 -0.345 18978 13646 1 18 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.949 0.331 18978 13647 1 18 . 1 1 28 28 GLY H H 28 8.940 8.940 8.651 0.289 18978 13648 1 18 . 1 1 29 29 LYS N N 29 122.060 122.060 122.540 -0.480 18978 13649 1 18 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.605 -0.205 18978 13650 1 18 . 1 1 29 29 LYS C C 29 175.560 175.560 175.489 0.071 18978 13651 1 18 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.338 0.322 18978 13652 1 18 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.025 -1.155 18978 13653 1 18 . 1 1 29 29 LYS H H 29 8.350 8.350 7.799 0.551 18978 13654 1 18 . 1 1 30 30 THR N N 30 118.150 118.150 117.148 1.002 18978 13655 1 18 . 1 1 30 30 THR HA H 30 5.330 5.330 5.046 0.284 18978 13656 1 18 . 1 1 30 30 THR C C 30 174.860 174.860 174.196 0.664 18978 13657 1 18 . 1 1 30 30 THR CA C 30 62.040 62.040 61.754 0.286 18978 13658 1 18 . 1 1 30 30 THR CB C 30 69.420 69.420 70.048 -0.628 18978 13659 1 18 . 1 1 30 30 THR H H 30 8.410 8.410 8.296 0.114 18978 13660 1 18 . 1 1 31 31 VAL N N 31 122.510 122.510 121.243 1.267 18978 13661 1 18 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.604 -0.034 18978 13662 1 18 . 1 1 31 31 VAL C C 31 172.970 172.970 173.751 -0.781 18978 13663 1 18 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.812 -0.362 18978 13664 1 18 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.834 1.046 18978 13665 1 18 . 1 1 31 31 VAL H H 31 9.140 9.140 8.918 0.222 18978 13666 1 18 . 1 1 32 32 ARG N N 32 120.640 120.640 122.136 -1.496 18978 13667 1 18 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.835 -0.085 18978 13668 1 18 . 1 1 32 32 ARG C C 32 175.650 175.650 175.566 0.084 18978 13669 1 18 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.593 -0.943 18978 13670 1 18 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.147 -0.277 18978 13671 1 18 . 1 1 32 32 ARG H H 32 8.420 8.420 9.011 -0.591 18978 13672 1 18 . 1 1 33 33 THR N N 33 118.590 118.590 116.716 1.874 18978 13673 1 18 . 1 1 33 33 THR HA H 33 3.410 3.410 3.859 -0.449 18978 13674 1 18 . 1 1 33 33 THR C C 33 175.020 175.020 175.889 -0.869 18978 13675 1 18 . 1 1 33 33 THR CA C 33 65.660 65.660 65.143 0.517 18978 13676 1 18 . 1 1 33 33 THR CB C 33 69.400 69.400 68.651 0.749 18978 13677 1 18 . 1 1 33 33 THR H H 33 8.370 8.370 8.494 -0.124 18978 13678 1 18 . 1 1 34 34 GLY N N 34 117.350 117.350 115.551 1.799 18978 13679 1 18 . 1 1 34 34 GLY C C 34 174.350 174.350 174.431 -0.081 18978 13680 1 18 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.880 0.119 18978 13681 1 18 . 1 1 34 34 GLY H H 34 9.090 9.090 8.528 0.562 18978 13682 1 18 . 1 1 35 35 ASP N N 35 122.240 122.240 123.415 -1.175 18978 13683 1 18 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.666 -0.196 18978 13684 1 18 . 1 1 35 35 ASP C C 35 174.570 174.570 175.205 -0.635 18978 13685 1 18 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.201 0.369 18978 13686 1 18 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.779 -0.099 18978 13687 1 18 . 1 1 35 35 ASP H H 35 8.010 8.010 7.810 0.200 18978 13688 1 18 . 1 1 36 36 VAL N N 36 119.860 119.860 121.211 -1.351 18978 13689 1 18 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.754 0.196 18978 13690 1 18 . 1 1 36 36 VAL C C 36 176.330 176.330 175.939 0.391 18978 13691 1 18 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.197 0.513 18978 13692 1 18 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.242 -0.342 18978 13693 1 18 . 1 1 36 36 VAL H H 36 8.330 8.330 8.360 -0.030 18978 13694 1 18 . 1 1 37 37 ILE N N 37 124.990 124.990 128.147 -3.157 18978 13695 1 18 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.498 0.132 18978 13696 1 18 . 1 1 37 37 ILE C C 37 174.400 174.400 174.718 -0.318 18978 13697 1 18 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.505 -1.515 18978 13698 1 18 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.166 0.644 18978 13699 1 18 . 1 1 37 37 ILE H H 37 9.160 9.160 8.636 0.524 18978 13700 1 18 . 1 1 38 38 GLY N N 38 112.060 112.060 112.778 -0.718 18978 13701 1 18 . 1 1 38 38 GLY C C 38 172.920 172.920 173.526 -0.606 18978 13702 1 18 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.317 0.263 18978 13703 1 18 . 1 1 38 38 GLY H H 38 8.660 8.660 8.413 0.247 18978 13704 1 18 . 1 1 39 39 ILE N N 39 123.220 123.220 124.261 -1.041 18978 13705 1 18 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.387 -0.017 18978 13706 1 18 . 1 1 39 39 ILE C C 39 174.500 174.500 175.238 -0.738 18978 13707 1 18 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.455 -0.905 18978 13708 1 18 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.670 -0.370 18978 13709 1 18 . 1 1 39 39 ILE H H 39 8.810 8.810 8.042 0.768 18978 13710 1 18 . 1 1 40 40 SER N N 40 121.430 121.430 121.262 0.168 18978 13711 1 18 . 1 1 40 40 SER HA H 40 4.830 4.830 4.790 0.040 18978 13712 1 18 . 1 1 40 40 SER C C 40 174.130 174.130 174.078 0.052 18978 13713 1 18 . 1 1 40 40 SER CA C 40 57.770 57.770 57.944 -0.174 18978 13714 1 18 . 1 1 40 40 SER CB C 40 63.040 63.040 63.663 -0.622 18978 13715 1 18 . 1 1 40 40 SER H H 40 8.540 8.540 8.689 -0.149 18978 13716 1 18 . 1 1 41 41 ILE N N 41 127.060 127.060 128.535 -1.475 18978 13717 1 18 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.405 -0.115 18978 13718 1 18 . 1 1 41 41 ILE C C 41 175.280 175.280 175.762 -0.482 18978 13719 1 18 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.679 -0.429 18978 13720 1 18 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.034 -0.194 18978 13721 1 18 . 1 1 41 41 ILE H H 41 8.930 8.930 8.679 0.251 18978 13722 1 18 . 1 1 42 42 LEU N N 42 126.770 126.770 129.929 -3.159 18978 13723 1 18 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.953 -0.063 18978 13724 1 18 . 1 1 42 42 LEU C C 42 177.130 177.130 177.097 0.033 18978 13725 1 18 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.491 0.069 18978 13726 1 18 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.208 -1.838 18978 13727 1 18 . 1 1 42 42 LEU H H 42 9.380 9.380 9.132 0.248 18978 13728 1 18 . 1 1 43 43 GLY N N 43 103.820 103.820 105.774 -1.954 18978 13729 1 18 . 1 1 43 43 GLY C C 43 173.690 173.690 173.334 0.356 18978 13730 1 18 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.127 0.213 18978 13731 1 18 . 1 1 43 43 GLY H H 43 8.310 8.310 8.814 -0.504 18978 13732 1 18 . 1 1 44 44 LYS N N 44 121.160 121.160 120.697 0.463 18978 13733 1 18 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.572 -0.012 18978 13734 1 18 . 1 1 44 44 LYS C C 44 174.550 174.550 174.682 -0.132 18978 13735 1 18 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.250 -1.110 18978 13736 1 18 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.962 -0.342 18978 13737 1 18 . 1 1 44 44 LYS H H 44 7.730 7.730 7.618 0.112 18978 13738 1 18 . 1 1 45 45 GLU N N 45 124.090 124.090 128.245 -4.155 18978 13739 1 18 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.579 -0.299 18978 13740 1 18 . 1 1 45 45 GLU C C 45 175.730 175.730 175.351 0.379 18978 13741 1 18 . 1 1 45 45 GLU CA C 45 56.730 56.730 55.978 0.752 18978 13742 1 18 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.714 -0.644 18978 13743 1 18 . 1 1 45 45 GLU H H 45 8.490 8.490 8.704 -0.214 18978 13744 1 18 . 1 1 46 46 VAL N N 46 129.960 129.960 127.197 2.763 18978 13745 1 18 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.246 -0.216 18978 13746 1 18 . 1 1 46 46 VAL C C 46 174.610 174.610 173.703 0.907 18978 13747 1 18 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.208 1.472 18978 13748 1 18 . 1 1 46 46 VAL CB C 46 33.880 33.880 33.318 0.562 18978 13749 1 18 . 1 1 46 46 VAL H H 46 8.920 8.920 8.344 0.576 18978 13750 1 18 . 1 1 47 47 LYS N N 47 124.790 124.790 128.377 -3.587 18978 13751 1 18 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.679 0.441 18978 13752 1 18 . 1 1 47 47 LYS C C 47 175.380 175.380 175.429 -0.049 18978 13753 1 18 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.093 0.107 18978 13754 1 18 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.403 1.267 18978 13755 1 18 . 1 1 47 47 LYS H H 47 7.860 7.860 8.452 -0.592 18978 13756 1 18 . 1 1 48 48 PHE N N 48 118.270 118.270 124.283 -6.013 18978 13757 1 18 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.145 -0.185 18978 13758 1 18 . 1 1 48 48 PHE C C 48 173.950 173.950 174.997 -1.047 18978 13759 1 18 . 1 1 48 48 PHE CA C 48 55.910 55.910 55.735 0.175 18978 13760 1 18 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.148 1.802 18978 13761 1 18 . 1 1 48 48 PHE H H 48 9.270 9.270 8.660 0.610 18978 13762 1 18 . 1 1 49 49 LYS N N 49 121.960 121.960 123.430 -1.470 18978 13763 1 18 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.864 0.046 18978 13764 1 18 . 1 1 49 49 LYS C C 49 176.230 176.230 175.765 0.465 18978 13765 1 18 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.663 -0.753 18978 13766 1 18 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.700 -0.530 18978 13767 1 18 . 1 1 49 49 LYS H H 49 9.170 9.170 8.567 0.603 18978 13768 1 18 . 1 1 50 50 VAL N N 50 127.140 127.140 127.609 -0.469 18978 13769 1 18 . 1 1 50 50 VAL HA H 50 4.170 4.170 3.966 0.204 18978 13770 1 18 . 1 1 50 50 VAL C C 50 175.500 175.500 176.454 -0.954 18978 13771 1 18 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.656 -1.675 18978 13772 1 18 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.705 -1.215 18978 13773 1 18 . 1 1 50 50 VAL H H 50 9.400 9.400 8.240 1.160 18978 13774 1 18 . 1 1 51 51 VAL N N 51 132.840 132.840 128.880 3.960 18978 13775 1 18 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.873 -0.223 18978 13776 1 18 . 1 1 51 51 VAL C C 51 176.440 176.440 176.429 0.011 18978 13777 1 18 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.113 -0.183 18978 13778 1 18 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.164 -0.034 18978 13779 1 18 . 1 1 51 51 VAL H H 51 8.390 8.390 8.152 0.238 18978 13780 1 18 . 1 1 52 52 GLN N N 52 114.500 114.500 114.939 -0.439 18978 13781 1 18 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.527 -0.257 18978 13782 1 18 . 1 1 52 52 GLN C C 52 172.290 172.290 173.383 -1.093 18978 13783 1 18 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.133 1.507 18978 13784 1 18 . 1 1 52 52 GLN CB C 52 32.630 32.630 33.553 -0.923 18978 13785 1 18 . 1 1 52 52 GLN H H 52 7.470 7.470 7.479 -0.009 18978 13786 1 18 . 1 1 53 53 ALA N N 53 131.410 131.410 124.234 7.176 18978 13787 1 18 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.925 -0.095 18978 13788 1 18 . 1 1 53 53 ALA C C 53 174.270 174.270 175.233 -0.963 18978 13789 1 18 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.755 0.045 18978 13790 1 18 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.471 -2.371 18978 13791 1 18 . 1 1 53 53 ALA H H 53 8.200 8.200 8.559 -0.359 18978 13792 1 18 . 1 1 54 54 TYR N N 54 124.140 124.140 124.289 -0.149 18978 13793 1 18 . 1 1 54 54 TYR HA H 54 4.540 4.540 5.012 -0.472 18978 13794 1 18 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.524 -1.254 18978 13795 1 18 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.167 -0.807 18978 13796 1 18 . 1 1 54 54 TYR H H 54 8.860 8.860 8.669 0.191 18978 13797 1 18 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.394 -0.274 18978 13798 1 18 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.470 0.980 18978 13799 1 18 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.842 1.329 18978 13800 1 18 . 1 1 56 56 SER N N 56 106.200 106.200 114.358 -8.158 18978 13801 1 18 . 1 1 56 56 SER HA H 56 4.720 4.720 4.867 -0.147 18978 13802 1 18 . 1 1 56 56 SER CA C 56 54.250 54.250 55.872 -1.622 18978 13803 1 18 . 1 1 56 56 SER CB C 56 64.530 64.530 64.061 0.468 18978 13804 1 18 . 1 1 56 56 SER H H 56 7.380 7.380 8.060 -0.680 18978 13805 1 18 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.396 0.484 18978 13806 1 18 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.943 0.048 18978 13807 1 18 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.552 2.668 18978 13808 1 18 . 1 1 58 58 LEU N N 58 120.480 120.480 123.906 -3.426 18978 13809 1 18 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.651 -0.221 18978 13810 1 18 . 1 1 58 58 LEU C C 58 174.570 174.570 175.191 -0.621 18978 13811 1 18 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.964 -0.064 18978 13812 1 18 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.203 -0.993 18978 13813 1 18 . 1 1 58 58 LEU H H 58 8.960 8.960 8.345 0.615 18978 13814 1 18 . 1 1 59 59 ARG N N 59 125.180 125.180 125.965 -0.785 18978 13815 1 18 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.546 0.384 18978 13816 1 18 . 1 1 59 59 ARG C C 59 175.460 175.460 175.526 -0.066 18978 13817 1 18 . 1 1 59 59 ARG CA C 59 54.040 54.040 54.966 -0.926 18978 13818 1 18 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.517 -0.967 18978 13819 1 18 . 1 1 59 59 ARG H H 59 8.130 8.130 8.576 -0.446 18978 13820 1 18 . 1 1 60 60 VAL N N 60 128.170 128.170 128.497 -0.327 18978 13821 1 18 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.005 -0.595 18978 13822 1 18 . 1 1 60 60 VAL C C 60 175.460 175.460 174.663 0.797 18978 13823 1 18 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.337 1.873 18978 13824 1 18 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.762 -1.922 18978 13825 1 18 . 1 1 60 60 VAL H H 60 8.450 8.450 8.219 0.231 18978 13826 1 18 . 1 1 61 61 GLU N N 61 127.670 127.670 127.085 0.585 18978 13827 1 18 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.579 0.291 18978 13828 1 18 . 1 1 61 61 GLU C C 61 176.960 176.960 176.441 0.519 18978 13829 1 18 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.684 -0.354 18978 13830 1 18 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.304 -0.024 18978 13831 1 18 . 1 1 61 61 GLU H H 61 8.620 8.620 7.721 0.899 18978 13832 1 18 . 1 1 62 62 ASP N N 62 121.140 121.140 121.937 -0.797 18978 13833 1 18 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.288 -0.138 18978 13834 1 18 . 1 1 62 62 ASP C C 62 177.460 177.460 177.610 -0.150 18978 13835 1 18 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.642 -0.022 18978 13836 1 18 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.823 -0.463 18978 13837 1 18 . 1 1 62 62 ASP H H 62 8.700 8.700 8.787 -0.087 18978 13838 1 18 . 1 1 63 63 ARG N N 63 112.890 112.890 116.842 -3.952 18978 13839 1 18 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.243 0.037 18978 13840 1 18 . 1 1 63 63 ARG C C 63 176.510 176.510 176.729 -0.219 18978 13841 1 18 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.938 -1.488 18978 13842 1 18 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.338 -0.348 18978 13843 1 18 . 1 1 63 63 ARG H H 63 7.760 7.760 8.166 -0.406 18978 13844 1 18 . 1 1 64 64 THR N N 64 120.650 120.650 116.178 4.472 18978 13845 1 18 . 1 1 64 64 THR HA H 64 4.020 4.020 4.341 -0.321 18978 13846 1 18 . 1 1 64 64 THR C C 64 173.810 173.810 174.136 -0.326 18978 13847 1 18 . 1 1 64 64 THR CA C 64 64.060 64.060 63.698 0.362 18978 13848 1 18 . 1 1 64 64 THR CB C 64 69.350 69.350 69.387 -0.037 18978 13849 1 18 . 1 1 64 64 THR H H 64 7.700 7.700 7.580 0.120 18978 13850 1 18 . 1 1 65 65 LYS N N 65 130.950 130.950 127.327 3.623 18978 13851 1 18 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.454 -0.184 18978 13852 1 18 . 1 1 65 65 LYS C C 65 174.560 174.560 175.248 -0.688 18978 13853 1 18 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.113 0.167 18978 13854 1 18 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.398 -0.278 18978 13855 1 18 . 1 1 65 65 LYS H H 65 8.520 8.520 8.273 0.247 18978 13856 1 18 . 1 1 66 66 ILE N N 66 128.020 128.020 125.793 2.227 18978 13857 1 18 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.884 -0.034 18978 13858 1 18 . 1 1 66 66 ILE C C 66 174.650 174.650 176.118 -1.468 18978 13859 1 18 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.171 -0.351 18978 13860 1 18 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.278 -1.998 18978 13861 1 18 . 1 1 66 66 ILE H H 66 8.430 8.430 8.649 -0.219 18978 13862 1 18 . 1 1 67 67 THR N N 67 123.870 123.870 123.367 0.503 18978 13863 1 18 . 1 1 67 67 THR HA H 67 4.470 4.470 4.700 -0.230 18978 13864 1 18 . 1 1 67 67 THR C C 67 172.760 172.760 172.987 -0.227 18978 13865 1 18 . 1 1 67 67 THR CA C 67 60.740 60.740 61.269 -0.529 18978 13866 1 18 . 1 1 67 67 THR CB C 67 71.320 71.320 70.935 0.385 18978 13867 1 18 . 1 1 67 67 THR H H 67 8.870 8.870 8.416 0.454 18978 13868 1 18 . 1 1 68 68 LEU N N 68 127.070 127.070 126.329 0.741 18978 13869 1 18 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.048 0.091 18978 13870 1 18 . 1 1 68 68 LEU C C 68 176.610 176.610 176.667 -0.057 18978 13871 1 18 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.141 -0.861 18978 13872 1 18 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.427 -0.827 18978 13873 1 18 . 1 1 68 68 LEU H H 68 8.820 8.820 8.649 0.171 18978 13874 1 18 . 1 1 69 69 VAL N N 69 124.120 124.120 123.900 0.220 18978 13875 1 18 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.335 -0.075 18978 13876 1 18 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.413 -1.063 18978 13877 1 18 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.634 0.156 18978 13878 1 18 . 1 1 69 69 VAL H H 69 8.800 8.800 8.191 0.609 18978 13879 1 18 . 1 1 70 70 THR N N 70 114.500 114.500 117.966 -3.466 18978 13880 1 18 . 1 1 70 70 THR HA H 70 4.410 4.410 4.452 -0.042 18978 13881 1 18 . 1 1 70 70 THR CA C 70 60.800 60.800 61.863 -1.063 18978 13882 1 18 . 1 1 70 70 THR CB C 70 69.650 69.650 69.910 -0.260 18978 13883 1 18 . 1 1 70 70 THR H H 70 8.160 8.160 8.496 -0.336 18978 13884 1 18 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.353 -0.423 18978 13885 1 18 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.651 0.868 18978 13886 1 18 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.272 1.868 18978 13887 1 18 . 1 1 73 73 VAL N N 73 117.500 117.500 111.516 5.984 18978 13888 1 18 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.292 0.228 18978 13889 1 18 . 1 1 73 73 VAL C C 73 174.100 174.100 174.215 -0.115 18978 13890 1 18 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.300 -0.290 18978 13891 1 18 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.261 -0.931 18978 13892 1 18 . 1 1 73 73 VAL H H 73 7.410 7.410 7.409 0.001 18978 13893 1 18 . 1 1 74 74 ASP N N 74 124.500 124.500 122.142 2.358 18978 13894 1 18 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.868 0.042 18978 13895 1 18 . 1 1 74 74 ASP C C 74 174.000 174.000 175.506 -1.506 18978 13896 1 18 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.642 -0.191 18978 13897 1 18 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.034 2.316 18978 13898 1 18 . 1 1 74 74 ASP H H 74 8.290 8.290 8.366 -0.076 18978 13899 1 18 . 1 1 75 75 VAL N N 75 122.400 122.400 124.356 -1.956 18978 13900 1 18 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.330 0.360 18978 13901 1 18 . 1 1 75 75 VAL C C 75 174.600 174.600 175.248 -0.648 18978 13902 1 18 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.321 -0.121 18978 13903 1 18 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.782 0.548 18978 13904 1 18 . 1 1 75 75 VAL H H 75 7.780 7.780 8.389 -0.609 18978 13905 1 18 . 1 1 76 76 LEU N N 76 130.300 130.300 127.753 2.547 18978 13906 1 18 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.624 0.096 18978 13907 1 18 . 1 1 76 76 LEU C C 76 174.400 174.400 176.182 -1.782 18978 13908 1 18 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.433 -0.803 18978 13909 1 18 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.008 0.952 18978 13910 1 18 . 1 1 76 76 LEU H H 76 9.200 9.200 8.410 0.790 18978 13911 1 18 . 1 1 77 77 GLU N N 77 118.600 118.600 122.129 -3.529 18978 13912 1 18 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.539 0.781 18978 13913 1 18 . 1 1 77 77 GLU C C 77 174.900 174.900 175.051 -0.151 18978 13914 1 18 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.812 -1.722 18978 13915 1 18 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.002 2.198 18978 13916 1 18 . 1 1 77 77 GLU H H 77 8.010 8.010 8.512 -0.502 18978 13917 1 18 . 1 1 78 78 ALA N N 78 124.500 124.500 125.065 -0.565 18978 13918 1 18 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.591 0.049 18978 13919 1 18 . 1 1 78 78 ALA C C 78 175.500 175.500 176.553 -1.053 18978 13920 1 18 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.448 -0.768 18978 13921 1 18 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.481 0.329 18978 13922 1 18 . 1 1 78 78 ALA H H 78 8.800 8.800 8.199 0.601 18978 13923 1 18 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.438 0.042 18978 13924 1 18 . 1 1 79 79 LYS C C 79 174.700 174.700 175.512 -0.812 18978 13925 1 18 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.257 -0.157 18978 13926 1 18 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.615 -1.675 18978 13927 1 18 . 1 1 80 80 ILE N N 80 127.300 127.300 123.739 3.561 18978 13928 1 18 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.263 -0.183 18978 13929 1 18 . 1 1 80 80 ILE C C 80 172.700 172.700 175.193 -2.493 18978 13930 1 18 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.386 -0.446 18978 13931 1 18 . 1 1 80 80 ILE CB C 80 40.930 40.930 39.198 1.732 18978 13932 1 18 . 1 1 80 80 ILE H H 80 7.380 7.380 8.553 -1.173 18978 13933 1 18 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.569 -0.289 18978 13934 1 18 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.800 0.320 18978 13935 1 18 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.176 -0.426 18978 13936 1 18 . 1 1 82 82 GLY N N 82 113.000 113.000 112.288 0.712 18978 13937 1 18 . 1 1 82 82 GLY C C 82 174.600 174.600 174.157 0.443 18978 13938 1 18 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.616 2.254 18978 13939 1 18 . 1 1 82 82 GLY H H 82 8.210 8.210 8.737 -0.527 18978 13940 1 18 . 1 1 83 83 ILE N N 83 121.200 121.200 119.068 2.132 18978 13941 1 18 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.887 -0.547 18978 13942 1 18 . 1 1 83 83 ILE C C 83 175.000 175.000 176.356 -1.356 18978 13943 1 18 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.037 2.673 18978 13944 1 18 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.997 -0.507 18978 13945 1 18 . 1 1 83 83 ILE H H 83 8.350 8.350 8.021 0.329 18978 13946 1 18 . 1 1 84 84 LYS N N 84 129.400 129.400 128.385 1.015 18978 13947 1 18 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.355 0.135 18978 13948 1 18 . 1 1 84 84 LYS C C 84 175.000 175.000 176.278 -1.278 18978 13949 1 18 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.129 -1.059 18978 13950 1 18 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.051 0.439 18978 13951 1 18 . 1 1 84 84 LYS H H 84 9.160 9.160 8.663 0.497 18978 13952 1 18 . 1 1 85 85 ASP N N 85 117.500 117.500 116.913 0.587 18978 13953 1 18 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.896 -0.116 18978 13954 1 18 . 1 1 85 85 ASP C C 85 173.200 173.200 173.779 -0.579 18978 13955 1 18 . 1 1 85 85 ASP CA C 85 53.090 53.090 54.059 -0.969 18978 13956 1 18 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.443 -0.953 18978 13957 1 18 . 1 1 85 85 ASP H H 85 7.990 7.990 7.821 0.169 18978 13958 1 18 . 1 1 86 86 VAL N N 86 119.400 119.400 121.126 -1.726 18978 13959 1 18 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.675 0.495 18978 13960 1 18 . 1 1 86 86 VAL C C 86 172.500 172.500 174.987 -2.487 18978 13961 1 18 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.984 -1.234 18978 13962 1 18 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.264 0.896 18978 13963 1 18 . 1 1 86 86 VAL H H 86 8.210 8.210 8.405 -0.195 18978 13964 1 18 . 1 1 87 87 ILE N N 87 127.100 127.100 127.835 -0.735 18978 13965 1 18 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.474 -0.264 18978 13966 1 18 . 1 1 87 87 ILE C C 87 173.600 173.600 174.280 -0.680 18978 13967 1 18 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.152 0.318 18978 13968 1 18 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.622 0.868 18978 13969 1 18 . 1 1 87 87 ILE H H 87 9.190 9.190 8.733 0.457 18978 13970 1 18 . 1 1 88 88 LEU N N 88 125.700 125.700 128.830 -3.130 18978 13971 1 18 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.709 0.331 18978 13972 1 18 . 1 1 88 88 LEU C C 88 174.500 174.500 175.109 -0.609 18978 13973 1 18 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.123 -1.183 18978 13974 1 18 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.524 -1.014 18978 13975 1 18 . 1 1 88 88 LEU H H 88 7.840 7.840 8.398 -0.558 18978 13976 1 18 . 1 1 89 89 ASP N N 89 127.800 127.800 125.218 2.582 18978 13977 1 18 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.010 -0.240 18978 13978 1 18 . 1 1 89 89 ASP C C 89 174.100 174.100 175.965 -1.865 18978 13979 1 18 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.714 -0.094 18978 13980 1 18 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.327 -0.257 18978 13981 1 18 . 1 1 89 89 ASP H H 89 8.280 8.280 8.803 -0.523 18978 13982 1 18 . 1 1 90 90 GLU N N 90 122.400 122.400 123.899 -1.499 18978 13983 1 18 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.028 -0.178 18978 13984 1 18 . 1 1 90 90 GLU CA C 90 58.830 58.830 58.879 -0.049 18978 13985 1 18 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.882 -0.472 18978 13986 1 18 . 1 1 90 90 GLU H H 90 8.980 8.980 8.691 0.289 18978 13987 1 18 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.933 -0.653 18978 13988 1 18 . 1 1 91 91 ASN C C 91 173.600 173.600 173.534 0.066 18978 13989 1 18 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.384 1.776 18978 13990 1 18 . 1 1 91 91 ASN CB C 91 39.900 39.900 40.002 -0.102 18978 13991 1 18 . 1 1 92 92 LEU N N 92 117.400 117.400 120.418 -3.018 18978 13992 1 18 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.655 0.375 18978 13993 1 18 . 1 1 92 92 LEU C C 92 174.700 174.700 173.781 0.919 18978 13994 1 18 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.550 -1.851 18978 13995 1 18 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.498 0.752 18978 13996 1 18 . 1 1 92 92 LEU H H 92 7.110 7.110 7.965 -0.855 18978 13997 1 18 . 1 1 93 93 ILE N N 93 121.300 121.300 122.573 -1.273 18978 13998 1 18 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.508 -0.058 18978 13999 1 18 . 1 1 93 93 ILE C C 93 174.000 174.000 174.204 -0.204 18978 14000 1 18 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.721 0.249 18978 14001 1 18 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.776 -0.146 18978 14002 1 18 . 1 1 93 93 ILE H H 93 8.450 8.450 8.559 -0.109 18978 14003 1 18 . 1 1 94 94 VAL N N 94 128.000 128.000 128.214 -0.214 18978 14004 1 18 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.852 -0.012 18978 14005 1 18 . 1 1 94 94 VAL C C 94 174.000 174.000 174.494 -0.494 18978 14006 1 18 . 1 1 94 94 VAL CA C 94 61.100 61.100 61.209 -0.110 18978 14007 1 18 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.057 -1.938 18978 14008 1 18 . 1 1 94 94 VAL H H 94 8.970 8.970 8.471 0.499 18978 14009 1 18 . 1 1 95 95 VAL N N 95 127.700 127.700 126.727 0.973 18978 14010 1 18 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.656 0.014 18978 14011 1 18 . 1 1 95 95 VAL C C 95 173.300 173.300 174.550 -1.250 18978 14012 1 18 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.713 0.127 18978 14013 1 18 . 1 1 95 95 VAL CB C 95 34.240 34.240 35.122 -0.882 18978 14014 1 18 . 1 1 95 95 VAL H H 95 9.420 9.420 8.597 0.823 18978 14015 1 18 . 1 1 96 96 ILE N N 96 126.000 126.000 126.821 -0.821 18978 14016 1 18 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.898 0.322 18978 14017 1 18 . 1 1 96 96 ILE C C 96 177.100 177.100 175.544 1.556 18978 14018 1 18 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.940 -0.370 18978 14019 1 18 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.569 0.181 18978 14020 1 18 . 1 1 96 96 ILE H H 96 8.460 8.460 8.807 -0.347 18978 14021 1 18 . 1 1 97 97 THR N N 97 118.100 118.100 117.699 0.401 18978 14022 1 18 . 1 1 97 97 THR HA H 97 5.250 5.250 4.808 0.442 18978 14023 1 18 . 1 1 97 97 THR C C 97 176.300 176.300 175.520 0.780 18978 14024 1 18 . 1 1 97 97 THR CA C 97 59.650 59.650 59.828 -0.178 18978 14025 1 18 . 1 1 97 97 THR CB C 97 71.890 71.890 71.482 0.408 18978 14026 1 18 . 1 1 97 97 THR H H 97 9.050 9.050 8.497 0.553 18978 14027 1 18 . 1 1 98 98 GLU N N 98 120.100 120.100 122.858 -2.758 18978 14028 1 18 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.979 0.141 18978 14029 1 18 . 1 1 98 98 GLU C C 98 176.200 176.200 177.652 -1.452 18978 14030 1 18 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.281 -1.391 18978 14031 1 18 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.695 -0.165 18978 14032 1 18 . 1 1 98 98 GLU H H 98 9.220 9.220 8.382 0.838 18978 14033 1 18 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.298 -0.148 18978 14034 1 18 . 1 1 99 99 GLU C C 99 174.200 174.200 175.610 -1.410 18978 14035 1 18 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.280 1.930 18978 14036 1 18 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.776 1.094 18978 14037 1 18 . 1 1 100 100 ASN N N 100 113.200 113.200 114.439 -1.239 18978 14038 1 18 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.416 -0.306 18978 14039 1 18 . 1 1 100 100 ASN C C 100 173.700 173.700 173.515 0.185 18978 14040 1 18 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.484 -0.084 18978 14041 1 18 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.336 -0.476 18978 14042 1 18 . 1 1 100 100 ASN H H 100 8.020 8.020 8.081 -0.061 18978 14043 1 18 . 1 1 101 101 GLU N N 101 115.500 115.500 118.383 -2.883 18978 14044 1 18 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.791 0.359 18978 14045 1 18 . 1 1 101 101 GLU C C 101 174.900 174.900 174.511 0.389 18978 14046 1 18 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.324 -0.274 18978 14047 1 18 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.067 -1.667 18978 14048 1 18 . 1 1 101 101 GLU H H 101 7.230 7.230 7.295 -0.065 18978 14049 1 18 . 1 1 102 102 VAL N N 102 122.700 122.700 124.590 -1.890 18978 14050 1 18 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.627 0.293 18978 14051 1 18 . 1 1 102 102 VAL C C 102 173.700 173.700 174.540 -0.840 18978 14052 1 18 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.589 -0.669 18978 14053 1 18 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.474 0.336 18978 14054 1 18 . 1 1 102 102 VAL H H 102 8.710 8.710 8.866 -0.156 18978 14055 1 18 . 1 1 103 103 LEU N N 103 127.300 127.300 128.073 -0.773 18978 14056 1 18 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.792 -0.492 18978 14057 1 18 . 1 1 103 103 LEU C C 103 174.500 174.500 175.408 -0.908 18978 14058 1 18 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.775 0.045 18978 14059 1 18 . 1 1 103 103 LEU H H 103 9.140 9.140 8.471 0.669 18978 14060 1 18 . 1 1 104 104 ILE N N 104 122.200 122.200 121.727 0.473 18978 14061 1 18 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.726 0.014 18978 14062 1 18 . 1 1 104 104 ILE C C 104 173.600 173.600 174.584 -0.984 18978 14063 1 18 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.386 -0.166 18978 14064 1 18 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.663 -0.513 18978 14065 1 18 . 1 1 104 104 ILE H H 104 8.470 8.470 8.303 0.167 18978 14066 1 18 . 1 1 105 105 PHE N N 105 126.600 126.600 125.433 1.167 18978 14067 1 18 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.711 -0.141 18978 14068 1 18 . 1 1 105 105 PHE C C 105 175.800 175.800 175.379 0.421 18978 14069 1 18 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.822 -0.371 18978 14070 1 18 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.470 1.200 18978 14071 1 18 . 1 1 105 105 PHE H H 105 9.330 9.330 9.119 0.211 18978 14072 1 18 . 1 1 106 106 ASN N N 106 116.000 116.000 118.442 -2.442 18978 14073 1 18 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.033 0.437 18978 14074 1 18 . 1 1 106 106 ASN C C 106 176.700 176.700 176.949 -0.249 18978 14075 1 18 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.110 -0.610 18978 14076 1 18 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.511 -0.911 18978 14077 1 18 . 1 1 106 106 ASN H H 106 7.710 7.710 8.280 -0.570 18978 14078 1 18 . 1 1 107 107 GLN N N 107 114.500 114.500 119.310 -4.810 18978 14079 1 18 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.055 -0.165 18978 14080 1 18 . 1 1 107 107 GLN C C 107 173.700 173.700 176.838 -3.138 18978 14081 1 18 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.629 -1.119 18978 14082 1 18 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.629 -1.539 18978 14083 1 18 . 1 1 107 107 GLN H H 107 8.040 8.040 8.757 -0.717 18978 14084 1 18 . 1 1 108 108 ASN N N 108 115.800 115.800 115.983 -0.183 18978 14085 1 18 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.639 0.031 18978 14086 1 18 . 1 1 108 108 ASN C C 108 173.600 173.600 175.194 -1.594 18978 14087 1 18 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.911 -0.821 18978 14088 1 18 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.454 0.406 18978 14089 1 18 . 1 1 108 108 ASN H H 108 7.440 7.440 8.233 -0.793 18978 14090 1 18 . 1 1 109 109 LEU N N 109 115.200 115.200 119.360 -4.160 18978 14091 1 18 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.868 -0.338 18978 14092 1 18 . 1 1 109 109 LEU C C 109 174.700 174.700 174.956 -0.256 18978 14093 1 18 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.101 -0.331 18978 14094 1 18 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.796 -1.096 18978 14095 1 18 . 1 1 109 109 LEU H H 109 8.220 8.220 7.662 0.558 18978 14096 1 18 . 1 1 110 110 GLU N N 110 117.600 117.600 118.630 -1.030 18978 14097 1 18 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.784 -0.364 18978 14098 1 18 . 1 1 110 110 GLU C C 110 175.800 175.800 175.615 0.185 18978 14099 1 18 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.627 0.553 18978 14100 1 18 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.518 -3.698 18978 14101 1 18 . 1 1 110 110 GLU H H 110 7.550 7.550 8.193 -0.643 18978 14102 1 18 . 1 1 111 111 GLU N N 111 125.900 125.900 122.472 3.428 18978 14103 1 18 . 1 1 111 111 GLU HA H 111 3.830 3.830 3.962 -0.132 18978 14104 1 18 . 1 1 111 111 GLU C C 111 175.400 175.400 175.989 -0.589 18978 14105 1 18 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.680 -1.040 18978 14106 1 18 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.730 0.890 18978 14107 1 18 . 1 1 111 111 GLU H H 111 8.350 8.350 8.941 -0.591 18978 14108 1 18 . 1 1 112 112 LEU N N 112 128.000 128.000 126.454 1.546 18978 14109 1 18 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.463 -0.193 18978 14110 1 18 . 1 1 112 112 LEU C C 112 176.100 176.100 176.555 -0.455 18978 14111 1 18 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.469 -0.439 18978 14112 1 18 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.056 -1.286 18978 14113 1 18 . 1 1 112 112 LEU H H 112 9.110 9.110 8.227 0.883 18978 14114 1 18 . 1 1 113 113 TYR N N 113 116.300 116.300 119.524 -3.224 18978 14115 1 18 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.666 -0.336 18978 14116 1 18 . 1 1 113 113 TYR C C 113 171.700 171.700 173.079 -1.379 18978 14117 1 18 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.354 0.606 18978 14118 1 18 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.126 -0.406 18978 14119 1 18 . 1 1 113 113 TYR H H 113 7.250 7.250 7.451 -0.201 18978 14120 1 18 . 1 1 114 114 ARG N N 114 126.200 126.200 126.742 -0.542 18978 14121 1 18 . 1 1 114 114 ARG HA H 114 5.020 5.020 5.055 -0.035 18978 14122 1 18 . 1 1 114 114 ARG C C 114 173.500 173.500 174.501 -1.001 18978 14123 1 18 . 1 1 114 114 ARG CA C 114 54.620 54.620 55.027 -0.407 18978 14124 1 18 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.568 0.882 18978 14125 1 18 . 1 1 114 114 ARG H H 114 6.560 6.560 8.031 -1.471 18978 14126 1 18 . 1 1 115 115 GLY N N 115 111.300 111.300 112.727 -1.427 18978 14127 1 18 . 1 1 115 115 GLY C C 115 178.100 178.100 171.328 6.772 18978 14128 1 18 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.617 -0.207 18978 14129 1 18 . 1 1 115 115 GLY H H 115 8.320 8.320 8.360 -0.040 18978 14130 1 18 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.579 0.191 18978 14131 1 18 . 1 1 116 116 LYS C C 116 174.400 174.400 174.581 -0.181 18978 14132 1 18 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.160 0.030 18978 14133 1 18 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.119 -0.779 18978 14134 1 18 . 1 1 117 117 PHE N N 117 125.800 125.800 124.418 1.382 18978 14135 1 18 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.857 -0.307 18978 14136 1 18 . 1 1 117 117 PHE C C 117 174.000 174.000 176.243 -2.243 18978 14137 1 18 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.284 -0.434 18978 14138 1 18 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.860 0.300 18978 14139 1 18 . 1 1 117 117 PHE H H 117 8.090 8.090 8.630 -0.540 18978 14140 1 18 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.821 -0.161 18978 14141 1 18 . 1 1 119 119 ASN C C 119 173.500 173.500 174.071 -0.571 18978 14142 1 18 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.591 -0.111 18978 14143 1 18 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.416 -0.227 18978 14144 1 18 . 1 1 120 120 LEU N N 120 120.200 120.200 121.829 -1.629 18978 14145 1 18 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.130 -0.300 18978 14146 1 18 . 1 1 120 120 LEU C C 120 175.000 175.000 176.179 -1.179 18978 14147 1 18 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.160 0.110 18978 14148 1 18 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.211 0.559 18978 14149 1 18 . 1 1 120 120 LEU H H 120 6.900 6.900 7.648 -0.748 18978 14150 1 18 . 1 1 121 121 ASN N N 121 124.200 124.200 124.641 -0.441 18978 14151 1 18 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.928 -0.038 18978 14152 1 18 . 1 1 121 121 ASN C C 121 174.300 174.300 174.729 -0.429 18978 14153 1 18 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.395 -0.515 18978 14154 1 18 . 1 1 121 121 ASN CB C 121 40.440 40.440 39.974 0.466 18978 14155 1 18 . 1 1 121 121 ASN H H 121 8.900 8.900 8.615 0.285 18978 14156 1 18 . 1 1 122 122 LYS N N 122 115.100 115.100 119.851 -4.751 18978 14157 1 18 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.581 -0.111 18978 14158 1 18 . 1 1 122 122 LYS C C 122 172.500 172.500 174.067 -1.567 18978 14159 1 18 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.563 0.137 18978 14160 1 18 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.519 -0.859 18978 14161 1 18 . 1 1 122 122 LYS H H 122 7.410 7.410 7.798 -0.388 18978 14162 1 18 . 1 1 123 123 VAL N N 123 121.500 121.500 121.374 0.126 18978 14163 1 18 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.446 0.374 18978 14164 1 18 . 1 1 123 123 VAL C C 123 173.400 173.400 175.230 -1.830 18978 14165 1 18 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.110 -0.420 18978 14166 1 18 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.132 1.018 18978 14167 1 18 . 1 1 123 123 VAL H H 123 7.730 7.730 8.394 -0.664 18978 14168 1 18 . 1 1 124 124 LEU N N 124 126.600 126.600 129.612 -3.012 18978 14169 1 18 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.821 -0.101 18978 14170 1 18 . 1 1 124 124 LEU C C 124 174.200 174.200 174.968 -0.768 18978 14171 1 18 . 1 1 124 124 LEU CA C 124 53.380 53.380 53.862 -0.482 18978 14172 1 18 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.344 0.766 18978 14173 1 18 . 1 1 124 124 LEU H H 124 9.060 9.060 8.420 0.640 18978 14174 1 18 . 1 1 125 125 VAL N N 125 120.300 120.300 122.605 -2.305 18978 14175 1 18 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.524 0.146 18978 14176 1 18 . 1 1 125 125 VAL C C 125 174.700 174.700 174.466 0.234 18978 14177 1 18 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.532 -0.242 18978 14178 1 18 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.930 0.320 18978 14179 1 18 . 1 1 125 125 VAL H H 125 8.030 8.030 8.436 -0.406 18978 14180 1 18 . 1 1 126 126 ARG N N 126 127.100 127.100 125.917 1.183 18978 14181 1 18 . 1 1 126 126 ARG HA H 126 4.470 4.470 5.008 -0.538 18978 14182 1 18 . 1 1 126 126 ARG C C 126 174.400 174.400 175.264 -0.864 18978 14183 1 18 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.507 1.323 18978 14184 1 18 . 1 1 126 126 ARG CB C 126 31.300 31.300 34.198 -2.898 18978 14185 1 18 . 1 1 126 126 ARG H H 126 8.630 8.630 8.362 0.268 18978 14186 1 18 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.397 -0.107 18978 14187 1 18 . 1 1 127 127 ASN C C 127 172.600 172.600 174.546 -1.946 18978 14188 1 18 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.127 0.934 18978 14189 1 18 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.941 -0.991 18978 14190 1 18 . 1 1 128 128 ASP N N 128 117.600 117.600 118.526 -0.926 18978 14191 1 18 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.500 -0.050 18978 14192 1 18 . 1 1 128 128 ASP C C 128 174.000 174.000 175.379 -1.379 18978 14193 1 18 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.687 -1.167 18978 14194 1 18 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.521 -0.711 18978 14195 1 18 . 1 1 128 128 ASP H H 128 8.560 8.560 8.486 0.074 18978 14196 1 18 . 1 1 129 129 LEU N N 129 121.500 121.500 119.533 1.967 18978 14197 1 18 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.668 0.402 18978 14198 1 18 . 1 1 129 129 LEU C C 129 174.800 174.800 174.685 0.115 18978 14199 1 18 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.079 -0.279 18978 14200 1 18 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.488 0.632 18978 14201 1 18 . 1 1 129 129 LEU H H 129 7.730 7.730 7.601 0.129 18978 14202 1 18 . 1 1 130 130 VAL N N 130 120.600 120.600 122.237 -1.637 18978 14203 1 18 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.684 0.026 18978 14204 1 18 . 1 1 130 130 VAL C C 130 173.500 173.500 173.315 0.185 18978 14205 1 18 . 1 1 130 130 VAL CA C 130 60.520 60.520 59.602 0.918 18978 14206 1 18 . 1 1 130 130 VAL CB C 130 33.750 33.750 35.805 -2.055 18978 14207 1 18 . 1 1 130 130 VAL H H 130 8.410 8.410 7.926 0.484 18978 14208 1 18 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.705 -0.105 18978 14209 1 18 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.319 0.271 18978 14210 1 18 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.485 -1.625 18978 14211 1 18 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.293 0.007 18978 14212 1 18 . 1 1 132 132 ILE C C 132 174.900 174.900 174.273 0.627 18978 14213 1 18 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.338 0.142 18978 14214 1 18 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.436 -0.386 18978 14215 1 18 . 1 1 133 133 ILE N N 133 126.200 126.200 126.866 -0.666 18978 14216 1 18 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.476 0.194 18978 14217 1 18 . 1 1 133 133 ILE C C 133 174.200 174.200 174.177 0.023 18978 14218 1 18 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.534 1.396 18978 14219 1 18 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.663 1.457 18978 14220 1 18 . 1 1 133 133 ILE H H 133 8.490 8.490 8.435 0.055 18978 14221 1 18 . 1 1 134 134 ASP N N 134 130.100 130.100 125.712 4.388 18978 14222 1 18 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.315 -0.365 18978 14223 1 18 . 1 1 134 134 ASP C C 134 174.600 174.600 176.785 -2.185 18978 14224 1 18 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.884 0.506 18978 14225 1 18 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.035 -0.665 18978 14226 1 18 . 1 1 134 134 ASP H H 134 8.360 8.360 8.188 0.172 18978 14227 1 18 . 1 1 135 135 GLU N N 135 118.000 118.000 120.826 -2.826 18978 14228 1 18 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.977 0.233 18978 14229 1 18 . 1 1 135 135 GLU C C 135 176.200 176.200 177.432 -1.232 18978 14230 1 18 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.118 -0.368 18978 14231 1 18 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.699 0.591 18978 14232 1 18 . 1 1 135 135 GLU H H 135 7.840 7.840 8.524 -0.684 18978 14233 1 18 . 1 1 136 136 GLN N N 136 115.200 115.200 114.238 0.962 18978 14234 1 18 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.362 0.508 18978 14235 1 18 . 1 1 136 136 GLN C C 136 174.900 174.900 175.632 -0.732 18978 14236 1 18 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.232 -0.732 18978 14237 1 18 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.515 0.416 18978 14238 1 18 . 1 1 136 136 GLN H H 136 8.860 8.860 7.855 1.005 18978 14239 1 18 . 1 1 137 137 LYS N N 137 118.100 118.100 118.766 -0.666 18978 14240 1 18 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.517 0.393 18978 14241 1 18 . 1 1 137 137 LYS C C 137 172.400 172.400 174.038 -1.638 18978 14242 1 18 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.208 0.692 18978 14243 1 18 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.933 -0.393 18978 14244 1 18 . 1 1 137 137 LYS H H 137 8.260 8.260 7.965 0.295 18978 14245 1 18 . 1 1 138 138 LEU N N 138 123.500 123.500 125.229 -1.729 18978 14246 1 18 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.659 0.201 18978 14247 1 18 . 1 1 138 138 LEU C C 138 174.400 174.400 176.178 -1.778 18978 14248 1 18 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.939 -0.429 18978 14249 1 18 . 1 1 138 138 LEU CB C 138 44.960 44.960 43.730 1.230 18978 14250 1 18 . 1 1 138 138 LEU H H 138 8.410 8.410 8.555 -0.145 18978 14251 1 18 . 1 1 139 139 THR N N 139 123.600 123.600 124.025 -0.425 18978 14252 1 18 . 1 1 139 139 THR HA H 139 4.830 4.830 4.646 0.184 18978 14253 1 18 . 1 1 139 139 THR C C 139 171.400 171.400 172.531 -1.131 18978 14254 1 18 . 1 1 139 139 THR CA C 139 62.240 62.240 61.461 0.779 18978 14255 1 18 . 1 1 139 139 THR CB C 139 70.120 70.120 69.924 0.196 18978 14256 1 18 . 1 1 139 139 THR H H 139 8.820 8.820 8.318 0.502 18978 14257 1 18 . 1 1 140 140 LEU N N 140 130.500 130.500 129.165 1.335 18978 14258 1 18 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.594 0.436 18978 14259 1 18 . 1 1 140 140 LEU C C 140 173.700 173.700 175.322 -1.622 18978 14260 1 18 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.469 -1.089 18978 14261 1 18 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.014 0.876 18978 14262 1 18 . 1 1 140 140 LEU H H 140 9.250 9.250 8.669 0.581 18978 14263 1 18 . 1 1 141 141 ILE N N 141 127.300 127.300 128.038 -0.738 18978 14264 1 18 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.360 0.300 18978 14265 1 18 . 1 1 141 141 ILE C C 141 174.200 174.200 174.392 -0.192 18978 14266 1 18 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.578 -1.068 18978 14267 1 18 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.153 -1.303 18978 14268 1 18 . 1 1 141 141 ILE H H 141 9.140 9.140 8.418 0.722 18978 14269 1 18 . 1 1 142 142 ARG N N 142 126.500 126.500 126.655 -0.155 18978 14270 1 18 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.617 0.263 18978 14271 1 18 . 1 1 142 142 ARG C C 142 175.100 175.100 176.273 -1.173 18978 14272 1 18 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.273 -0.733 18978 14273 1 18 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.566 -0.066 18978 14274 1 18 . 1 1 142 142 ARG H H 142 8.550 8.550 8.749 -0.199 18978 14275 1 19 . 1 1 -2 -2 GLY N N -2 110.000 110.000 110.783 -0.783 18978 14276 1 19 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.717 0.433 18978 14277 1 19 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.262 0.128 18978 14278 1 19 . 1 1 -1 -1 VAL N N -1 119.730 119.730 123.156 -3.426 18978 14279 1 19 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.227 -0.187 18978 14280 1 19 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.607 0.273 18978 14281 1 19 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 62.018 0.092 18978 14282 1 19 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 32.883 -0.123 18978 14283 1 19 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.087 -0.217 18978 14284 1 19 . 1 1 0 0 ILE N N 0 125.570 125.570 126.574 -1.004 18978 14285 1 19 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.483 -0.393 18978 14286 1 19 . 1 1 0 0 ILE C C 0 175.850 175.850 175.719 0.131 18978 14287 1 19 . 1 1 0 0 ILE CA C 0 60.800 60.800 59.751 1.049 18978 14288 1 19 . 1 1 0 0 ILE CB C 0 38.470 38.470 39.319 -0.849 18978 14289 1 19 . 1 1 0 0 ILE H H 0 8.230 8.230 8.477 -0.247 18978 14290 1 19 . 1 1 1 1 MET N N 1 125.930 125.930 125.943 -0.013 18978 14291 1 19 . 1 1 1 1 MET HA H 1 4.540 4.540 4.760 -0.220 18978 14292 1 19 . 1 1 1 1 MET C C 1 174.830 174.830 175.172 -0.342 18978 14293 1 19 . 1 1 1 1 MET CA C 1 54.790 54.790 55.982 -1.192 18978 14294 1 19 . 1 1 1 1 MET CB C 1 32.640 32.640 32.896 -0.256 18978 14295 1 19 . 1 1 1 1 MET H H 1 8.370 8.370 8.493 -0.123 18978 14296 1 19 . 1 1 2 2 SER N N 2 116.400 116.400 119.214 -2.814 18978 14297 1 19 . 1 1 2 2 SER HA H 2 5.030 5.030 5.183 -0.153 18978 14298 1 19 . 1 1 2 2 SER C C 2 174.330 174.330 173.433 0.897 18978 14299 1 19 . 1 1 2 2 SER CA C 2 57.320 57.320 57.340 -0.021 18978 14300 1 19 . 1 1 2 2 SER CB C 2 64.790 64.790 66.019 -1.229 18978 14301 1 19 . 1 1 2 2 SER H H 2 7.990 7.990 8.397 -0.407 18978 14302 1 19 . 1 1 3 3 GLU N N 3 123.670 123.670 123.022 0.648 18978 14303 1 19 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.473 -0.223 18978 14304 1 19 . 1 1 3 3 GLU C C 3 172.980 172.980 174.136 -1.156 18978 14305 1 19 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.607 -0.217 18978 14306 1 19 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.717 -0.807 18978 14307 1 19 . 1 1 3 3 GLU H H 3 9.430 9.430 8.803 0.627 18978 14308 1 19 . 1 1 4 4 LEU N N 4 125.350 125.350 124.676 0.674 18978 14309 1 19 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.895 -0.025 18978 14310 1 19 . 1 1 4 4 LEU C C 4 174.000 174.000 174.599 -0.599 18978 14311 1 19 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.857 -0.837 18978 14312 1 19 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.666 0.374 18978 14313 1 19 . 1 1 4 4 LEU H H 4 8.930 8.930 8.454 0.476 18978 14314 1 19 . 1 1 5 5 LYS N N 5 124.640 124.640 126.966 -2.326 18978 14315 1 19 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.035 0.325 18978 14316 1 19 . 1 1 5 5 LYS C C 5 175.660 175.660 175.402 0.258 18978 14317 1 19 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.198 -0.258 18978 14318 1 19 . 1 1 5 5 LYS CB C 5 34.280 34.280 33.796 0.484 18978 14319 1 19 . 1 1 5 5 LYS H H 5 8.840 8.840 8.441 0.399 18978 14320 1 19 . 1 1 6 6 LEU N N 6 123.460 123.460 125.025 -1.565 18978 14321 1 19 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.180 0.250 18978 14322 1 19 . 1 1 6 6 LEU C C 6 174.630 174.630 175.234 -0.604 18978 14323 1 19 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.448 -0.548 18978 14324 1 19 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.589 1.321 18978 14325 1 19 . 1 1 6 6 LEU H H 6 8.820 8.820 8.285 0.535 18978 14326 1 19 . 1 1 7 7 LYS N N 7 122.230 122.230 121.441 0.789 18978 14327 1 19 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.044 0.446 18978 14328 1 19 . 1 1 7 7 LYS CA C 7 52.270 52.270 53.267 -0.997 18978 14329 1 19 . 1 1 7 7 LYS CB C 7 37.500 37.500 37.041 0.459 18978 14330 1 19 . 1 1 7 7 LYS H H 7 9.110 9.110 8.482 0.628 18978 14331 1 19 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.740 -0.640 18978 14332 1 19 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.257 0.183 18978 14333 1 19 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.919 -2.279 18978 14334 1 19 . 1 1 9 9 LEU N N 9 123.250 123.250 121.552 1.698 18978 14335 1 19 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.467 -0.147 18978 14336 1 19 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.679 1.001 18978 14337 1 19 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.058 -1.298 18978 14338 1 19 . 1 1 9 9 LEU H H 9 8.490 8.490 7.957 0.533 18978 14339 1 19 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.405 0.125 18978 14340 1 19 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.159 0.721 18978 14341 1 19 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.060 -0.640 18978 14342 1 19 . 1 1 11 11 LYS N N 11 119.160 119.160 121.476 -2.316 18978 14343 1 19 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.339 -0.229 18978 14344 1 19 . 1 1 11 11 LYS C C 11 175.680 175.680 175.757 -0.077 18978 14345 1 19 . 1 1 11 11 LYS CA C 11 56.210 56.210 55.615 0.595 18978 14346 1 19 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.018 -0.358 18978 14347 1 19 . 1 1 11 11 LYS H H 11 8.180 8.180 8.362 -0.182 18978 14348 1 19 . 1 1 12 12 VAL N N 12 121.820 121.820 123.081 -1.261 18978 14349 1 19 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.291 -0.011 18978 14350 1 19 . 1 1 12 12 VAL C C 12 173.690 173.690 174.610 -0.920 18978 14351 1 19 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.643 -0.813 18978 14352 1 19 . 1 1 12 12 VAL CB C 12 34.550 34.550 35.117 -0.567 18978 14353 1 19 . 1 1 12 12 VAL H H 12 7.530 7.530 8.094 -0.564 18978 14354 1 19 . 1 1 13 13 GLU N N 13 125.610 125.610 124.988 0.622 18978 14355 1 19 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.499 -0.169 18978 14356 1 19 . 1 1 13 13 GLU C C 13 175.390 175.390 175.090 0.300 18978 14357 1 19 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.817 -0.597 18978 14358 1 19 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.025 -0.055 18978 14359 1 19 . 1 1 13 13 GLU H H 13 8.270 8.270 8.423 -0.153 18978 14360 1 19 . 1 1 14 14 LEU N N 14 125.880 125.880 125.940 -0.060 18978 14361 1 19 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.511 0.009 18978 14362 1 19 . 1 1 14 14 LEU CA C 14 51.660 51.660 51.981 -0.321 18978 14363 1 19 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.719 0.030 18978 14364 1 19 . 1 1 14 14 LEU H H 14 8.480 8.480 8.339 0.141 18978 14365 1 19 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.624 0.136 18978 14366 1 19 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.942 -0.612 18978 14367 1 19 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.237 -0.177 18978 14368 1 19 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.251 0.139 18978 14369 1 19 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.154 -0.604 18978 14370 1 19 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.791 -0.021 18978 14371 1 19 . 1 1 17 17 ASP N N 17 115.820 115.820 116.643 -0.823 18978 14372 1 19 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.617 0.003 18978 14373 1 19 . 1 1 17 17 ASP C C 17 177.100 177.100 177.299 -0.199 18978 14374 1 19 . 1 1 17 17 ASP CA C 17 53.890 53.890 53.998 -0.108 18978 14375 1 19 . 1 1 17 17 ASP CB C 17 39.120 39.120 38.852 0.268 18978 14376 1 19 . 1 1 17 17 ASP H H 17 8.560 8.560 8.814 -0.254 18978 14377 1 19 . 1 1 18 18 PHE N N 18 119.610 119.610 121.703 -2.093 18978 14378 1 19 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.129 0.051 18978 14379 1 19 . 1 1 18 18 PHE C C 18 176.740 176.740 176.586 0.154 18978 14380 1 19 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.753 -0.733 18978 14381 1 19 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.343 -0.113 18978 14382 1 19 . 1 1 18 18 PHE H H 18 7.940 7.940 7.571 0.369 18978 14383 1 19 . 1 1 19 19 VAL N N 19 116.370 116.370 118.070 -1.700 18978 14384 1 19 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.574 -0.224 18978 14385 1 19 . 1 1 19 19 VAL C C 19 176.400 176.400 177.685 -1.285 18978 14386 1 19 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.120 -0.610 18978 14387 1 19 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.363 -0.343 18978 14388 1 19 . 1 1 19 19 VAL H H 19 8.010 8.010 8.088 -0.078 18978 14389 1 19 . 1 1 20 20 ASP N N 20 119.190 119.190 119.755 -0.565 18978 14390 1 19 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.333 -0.023 18978 14391 1 19 . 1 1 20 20 ASP C C 20 178.360 178.360 178.597 -0.237 18978 14392 1 19 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.620 -0.510 18978 14393 1 19 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.738 -0.288 18978 14394 1 19 . 1 1 20 20 ASP H H 20 7.420 7.420 7.485 -0.065 18978 14395 1 19 . 1 1 21 21 VAL N N 21 119.830 119.830 120.256 -0.426 18978 14396 1 19 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.575 -0.065 18978 14397 1 19 . 1 1 21 21 VAL C C 21 178.100 178.100 178.082 0.018 18978 14398 1 19 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.138 -0.568 18978 14399 1 19 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.437 -0.027 18978 14400 1 19 . 1 1 21 21 VAL H H 21 7.190 7.190 7.326 -0.136 18978 14401 1 19 . 1 1 22 22 ILE N N 22 118.490 118.490 119.042 -0.552 18978 14402 1 19 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.426 -0.256 18978 14403 1 19 . 1 1 22 22 ILE C C 22 176.660 176.660 178.054 -1.394 18978 14404 1 19 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.688 1.532 18978 14405 1 19 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.213 1.287 18978 14406 1 19 . 1 1 22 22 ILE H H 22 7.660 7.660 7.492 0.168 18978 14407 1 19 . 1 1 23 23 ARG N N 23 118.260 118.260 120.403 -2.143 18978 14408 1 19 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.914 -0.534 18978 14409 1 19 . 1 1 23 23 ARG C C 23 178.060 178.060 178.847 -0.787 18978 14410 1 19 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.963 0.607 18978 14411 1 19 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.087 -0.017 18978 14412 1 19 . 1 1 23 23 ARG H H 23 7.830 7.830 7.728 0.102 18978 14413 1 19 . 1 1 24 24 ILE N N 24 116.750 116.750 117.646 -0.896 18978 14414 1 19 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.698 0.022 18978 14415 1 19 . 1 1 24 24 ILE C C 24 179.090 179.090 177.116 1.974 18978 14416 1 19 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.594 -0.534 18978 14417 1 19 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.903 0.127 18978 14418 1 19 . 1 1 24 24 ILE H H 24 7.350 7.350 7.489 -0.139 18978 14419 1 19 . 1 1 25 25 LYS N N 25 118.700 118.700 118.313 0.387 18978 14420 1 19 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.977 0.113 18978 14421 1 19 . 1 1 25 25 LYS C C 25 178.560 178.560 178.419 0.141 18978 14422 1 19 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.506 -0.856 18978 14423 1 19 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.707 -0.617 18978 14424 1 19 . 1 1 25 25 LYS H H 25 7.880 7.880 7.487 0.393 18978 14425 1 19 . 1 1 26 26 LEU N N 26 116.380 116.380 118.617 -2.237 18978 14426 1 19 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.169 0.061 18978 14427 1 19 . 1 1 26 26 LEU C C 26 175.880 175.880 177.117 -1.237 18978 14428 1 19 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.817 -1.727 18978 14429 1 19 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.774 0.536 18978 14430 1 19 . 1 1 26 26 LEU H H 26 7.860 7.860 7.849 0.011 18978 14431 1 19 . 1 1 27 27 GLN N N 27 119.210 119.210 117.080 2.130 18978 14432 1 19 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.807 -0.277 18978 14433 1 19 . 1 1 27 27 GLN C C 27 177.480 177.480 177.087 0.393 18978 14434 1 19 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.399 0.971 18978 14435 1 19 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.689 -0.389 18978 14436 1 19 . 1 1 27 27 GLN H H 27 7.190 7.190 7.596 -0.406 18978 14437 1 19 . 1 1 28 28 GLY N N 28 113.490 113.490 113.595 -0.105 18978 14438 1 19 . 1 1 28 28 GLY C C 28 174.070 174.070 174.365 -0.295 18978 14439 1 19 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.884 0.396 18978 14440 1 19 . 1 1 28 28 GLY H H 28 8.940 8.940 8.768 0.172 18978 14441 1 19 . 1 1 29 29 LYS N N 29 122.060 122.060 122.608 -0.548 18978 14442 1 19 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.604 -0.204 18978 14443 1 19 . 1 1 29 29 LYS C C 29 175.560 175.560 175.525 0.035 18978 14444 1 19 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.311 0.349 18978 14445 1 19 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.022 -1.152 18978 14446 1 19 . 1 1 29 29 LYS H H 29 8.350 8.350 7.798 0.552 18978 14447 1 19 . 1 1 30 30 THR N N 30 118.150 118.150 117.183 0.967 18978 14448 1 19 . 1 1 30 30 THR HA H 30 5.330 5.330 5.044 0.286 18978 14449 1 19 . 1 1 30 30 THR C C 30 174.860 174.860 174.295 0.565 18978 14450 1 19 . 1 1 30 30 THR CA C 30 62.040 62.040 61.841 0.199 18978 14451 1 19 . 1 1 30 30 THR CB C 30 69.420 69.420 69.904 -0.484 18978 14452 1 19 . 1 1 30 30 THR H H 30 8.410 8.410 8.290 0.120 18978 14453 1 19 . 1 1 31 31 VAL N N 31 122.510 122.510 121.060 1.450 18978 14454 1 19 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.586 -0.016 18978 14455 1 19 . 1 1 31 31 VAL C C 31 172.970 172.970 173.768 -0.798 18978 14456 1 19 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.867 -0.417 18978 14457 1 19 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.853 1.027 18978 14458 1 19 . 1 1 31 31 VAL H H 31 9.140 9.140 8.879 0.261 18978 14459 1 19 . 1 1 32 32 ARG N N 32 120.640 120.640 121.709 -1.069 18978 14460 1 19 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.797 -0.047 18978 14461 1 19 . 1 1 32 32 ARG C C 32 175.650 175.650 175.308 0.342 18978 14462 1 19 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.402 -0.752 18978 14463 1 19 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.474 -0.604 18978 14464 1 19 . 1 1 32 32 ARG H H 32 8.420 8.420 8.832 -0.412 18978 14465 1 19 . 1 1 33 33 THR N N 33 118.590 118.590 116.979 1.611 18978 14466 1 19 . 1 1 33 33 THR HA H 33 3.410 3.410 3.872 -0.462 18978 14467 1 19 . 1 1 33 33 THR C C 33 175.020 175.020 175.975 -0.955 18978 14468 1 19 . 1 1 33 33 THR CA C 33 65.660 65.660 64.627 1.033 18978 14469 1 19 . 1 1 33 33 THR CB C 33 69.400 69.400 68.522 0.878 18978 14470 1 19 . 1 1 33 33 THR H H 33 8.370 8.370 8.491 -0.121 18978 14471 1 19 . 1 1 34 34 GLY N N 34 117.350 117.350 115.940 1.410 18978 14472 1 19 . 1 1 34 34 GLY C C 34 174.350 174.350 174.440 -0.090 18978 14473 1 19 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.843 0.157 18978 14474 1 19 . 1 1 34 34 GLY H H 34 9.090 9.090 8.662 0.428 18978 14475 1 19 . 1 1 35 35 ASP N N 35 122.240 122.240 122.590 -0.350 18978 14476 1 19 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.725 -0.255 18978 14477 1 19 . 1 1 35 35 ASP C C 35 174.570 174.570 175.304 -0.734 18978 14478 1 19 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.441 0.128 18978 14479 1 19 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.740 -0.060 18978 14480 1 19 . 1 1 35 35 ASP H H 35 8.010 8.010 7.770 0.240 18978 14481 1 19 . 1 1 36 36 VAL N N 36 119.860 119.860 121.282 -1.422 18978 14482 1 19 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.749 0.201 18978 14483 1 19 . 1 1 36 36 VAL C C 36 176.330 176.330 175.910 0.420 18978 14484 1 19 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.268 0.442 18978 14485 1 19 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.580 -0.680 18978 14486 1 19 . 1 1 36 36 VAL H H 36 8.330 8.330 8.348 -0.018 18978 14487 1 19 . 1 1 37 37 ILE N N 37 124.990 124.990 127.834 -2.844 18978 14488 1 19 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.506 0.124 18978 14489 1 19 . 1 1 37 37 ILE C C 37 174.400 174.400 174.875 -0.475 18978 14490 1 19 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.474 -1.484 18978 14491 1 19 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.082 0.728 18978 14492 1 19 . 1 1 37 37 ILE H H 37 9.160 9.160 8.706 0.454 18978 14493 1 19 . 1 1 38 38 GLY N N 38 112.060 112.060 112.916 -0.856 18978 14494 1 19 . 1 1 38 38 GLY C C 38 172.920 172.920 173.651 -0.731 18978 14495 1 19 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.313 0.267 18978 14496 1 19 . 1 1 38 38 GLY H H 38 8.660 8.660 8.478 0.182 18978 14497 1 19 . 1 1 39 39 ILE N N 39 123.220 123.220 125.063 -1.843 18978 14498 1 19 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.410 -0.040 18978 14499 1 19 . 1 1 39 39 ILE C C 39 174.500 174.500 175.007 -0.507 18978 14500 1 19 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.592 -1.042 18978 14501 1 19 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.712 -0.412 18978 14502 1 19 . 1 1 39 39 ILE H H 39 8.810 8.810 8.460 0.350 18978 14503 1 19 . 1 1 40 40 SER N N 40 121.430 121.430 121.240 0.190 18978 14504 1 19 . 1 1 40 40 SER HA H 40 4.830 4.830 4.640 0.190 18978 14505 1 19 . 1 1 40 40 SER C C 40 174.130 174.130 173.973 0.157 18978 14506 1 19 . 1 1 40 40 SER CA C 40 57.770 57.770 58.194 -0.424 18978 14507 1 19 . 1 1 40 40 SER CB C 40 63.040 63.040 63.658 -0.618 18978 14508 1 19 . 1 1 40 40 SER H H 40 8.540 8.540 8.676 -0.136 18978 14509 1 19 . 1 1 41 41 ILE N N 41 127.060 127.060 128.731 -1.671 18978 14510 1 19 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.443 -0.153 18978 14511 1 19 . 1 1 41 41 ILE C C 41 175.280 175.280 175.727 -0.447 18978 14512 1 19 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.767 -0.516 18978 14513 1 19 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.091 -0.251 18978 14514 1 19 . 1 1 41 41 ILE H H 41 8.930 8.930 8.678 0.253 18978 14515 1 19 . 1 1 42 42 LEU N N 42 126.770 126.770 129.594 -2.824 18978 14516 1 19 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.927 -0.037 18978 14517 1 19 . 1 1 42 42 LEU C C 42 177.130 177.130 177.067 0.063 18978 14518 1 19 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.512 0.048 18978 14519 1 19 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.160 -1.790 18978 14520 1 19 . 1 1 42 42 LEU H H 42 9.380 9.380 9.167 0.213 18978 14521 1 19 . 1 1 43 43 GLY N N 43 103.820 103.820 105.252 -1.432 18978 14522 1 19 . 1 1 43 43 GLY C C 43 173.690 173.690 174.113 -0.423 18978 14523 1 19 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.251 0.089 18978 14524 1 19 . 1 1 43 43 GLY H H 43 8.310 8.310 8.885 -0.575 18978 14525 1 19 . 1 1 44 44 LYS N N 44 121.160 121.160 122.932 -1.772 18978 14526 1 19 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.494 0.066 18978 14527 1 19 . 1 1 44 44 LYS C C 44 174.550 174.550 175.196 -0.646 18978 14528 1 19 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.386 -1.246 18978 14529 1 19 . 1 1 44 44 LYS CB C 44 34.620 34.620 33.522 1.098 18978 14530 1 19 . 1 1 44 44 LYS H H 44 7.730 7.730 7.594 0.136 18978 14531 1 19 . 1 1 45 45 GLU N N 45 124.090 124.090 126.278 -2.188 18978 14532 1 19 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.468 -0.188 18978 14533 1 19 . 1 1 45 45 GLU C C 45 175.730 175.730 175.850 -0.120 18978 14534 1 19 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.097 0.633 18978 14535 1 19 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.510 -0.440 18978 14536 1 19 . 1 1 45 45 GLU H H 45 8.490 8.490 8.678 -0.188 18978 14537 1 19 . 1 1 46 46 VAL N N 46 129.960 129.960 127.219 2.741 18978 14538 1 19 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.374 -0.344 18978 14539 1 19 . 1 1 46 46 VAL C C 46 174.610 174.610 173.805 0.805 18978 14540 1 19 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.954 1.726 18978 14541 1 19 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.900 -1.020 18978 14542 1 19 . 1 1 46 46 VAL H H 46 8.920 8.920 8.607 0.313 18978 14543 1 19 . 1 1 47 47 LYS N N 47 124.790 124.790 128.047 -3.257 18978 14544 1 19 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.865 0.255 18978 14545 1 19 . 1 1 47 47 LYS C C 47 175.380 175.380 175.471 -0.091 18978 14546 1 19 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.382 -0.182 18978 14547 1 19 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.868 0.802 18978 14548 1 19 . 1 1 47 47 LYS H H 47 7.860 7.860 8.413 -0.553 18978 14549 1 19 . 1 1 48 48 PHE N N 48 118.270 118.270 123.490 -5.220 18978 14550 1 19 . 1 1 48 48 PHE HA H 48 4.960 4.960 4.894 0.066 18978 14551 1 19 . 1 1 48 48 PHE C C 48 173.950 173.950 174.645 -0.695 18978 14552 1 19 . 1 1 48 48 PHE CA C 48 55.910 55.910 56.959 -1.049 18978 14553 1 19 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.879 1.071 18978 14554 1 19 . 1 1 48 48 PHE H H 48 9.270 9.270 8.898 0.372 18978 14555 1 19 . 1 1 49 49 LYS N N 49 121.960 121.960 123.269 -1.309 18978 14556 1 19 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.897 0.013 18978 14557 1 19 . 1 1 49 49 LYS C C 49 176.230 176.230 175.587 0.643 18978 14558 1 19 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.625 -0.715 18978 14559 1 19 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.109 -0.940 18978 14560 1 19 . 1 1 49 49 LYS H H 49 9.170 9.170 8.636 0.534 18978 14561 1 19 . 1 1 50 50 VAL N N 50 127.140 127.140 126.810 0.330 18978 14562 1 19 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.020 0.150 18978 14563 1 19 . 1 1 50 50 VAL C C 50 175.500 175.500 176.381 -0.881 18978 14564 1 19 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.486 -1.506 18978 14565 1 19 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.849 -1.359 18978 14566 1 19 . 1 1 50 50 VAL H H 50 9.400 9.400 8.261 1.139 18978 14567 1 19 . 1 1 51 51 VAL N N 51 132.840 132.840 129.978 2.862 18978 14568 1 19 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.873 -0.223 18978 14569 1 19 . 1 1 51 51 VAL C C 51 176.440 176.440 176.090 0.350 18978 14570 1 19 . 1 1 51 51 VAL CA C 51 64.930 64.930 64.992 -0.062 18978 14571 1 19 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.380 -0.250 18978 14572 1 19 . 1 1 51 51 VAL H H 51 8.390 8.390 8.512 -0.122 18978 14573 1 19 . 1 1 52 52 GLN N N 52 114.500 114.500 115.395 -0.895 18978 14574 1 19 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.587 -0.317 18978 14575 1 19 . 1 1 52 52 GLN C C 52 172.290 172.290 173.425 -1.135 18978 14576 1 19 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.513 1.127 18978 14577 1 19 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.669 -0.039 18978 14578 1 19 . 1 1 52 52 GLN H H 52 7.470 7.470 7.523 -0.053 18978 14579 1 19 . 1 1 53 53 ALA N N 53 131.410 131.410 127.772 3.638 18978 14580 1 19 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.814 0.016 18978 14581 1 19 . 1 1 53 53 ALA C C 53 174.270 174.270 175.470 -1.200 18978 14582 1 19 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.632 0.168 18978 14583 1 19 . 1 1 53 53 ALA CB C 53 20.100 20.100 21.614 -1.514 18978 14584 1 19 . 1 1 53 53 ALA H H 53 8.200 8.200 8.320 -0.120 18978 14585 1 19 . 1 1 54 54 TYR N N 54 124.140 124.140 124.791 -0.651 18978 14586 1 19 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.964 -0.424 18978 14587 1 19 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.714 -1.444 18978 14588 1 19 . 1 1 54 54 TYR CB C 54 41.360 41.360 41.963 -0.603 18978 14589 1 19 . 1 1 54 54 TYR H H 54 8.860 8.860 8.526 0.334 18978 14590 1 19 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.314 -0.194 18978 14591 1 19 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.327 1.123 18978 14592 1 19 . 1 1 55 55 PRO CB C 55 34.170 34.170 33.084 1.086 18978 14593 1 19 . 1 1 56 56 SER N N 56 106.200 106.200 114.545 -8.345 18978 14594 1 19 . 1 1 56 56 SER HA H 56 4.720 4.720 4.867 -0.147 18978 14595 1 19 . 1 1 56 56 SER CA C 56 54.250 54.250 55.981 -1.731 18978 14596 1 19 . 1 1 56 56 SER CB C 56 64.530 64.530 64.508 0.022 18978 14597 1 19 . 1 1 56 56 SER H H 56 7.380 7.380 8.081 -0.701 18978 14598 1 19 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.449 0.431 18978 14599 1 19 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.859 0.131 18978 14600 1 19 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.584 2.636 18978 14601 1 19 . 1 1 58 58 LEU N N 58 120.480 120.480 123.227 -2.747 18978 14602 1 19 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.689 -0.259 18978 14603 1 19 . 1 1 58 58 LEU C C 58 174.570 174.570 175.382 -0.812 18978 14604 1 19 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.928 -0.028 18978 14605 1 19 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.463 -1.253 18978 14606 1 19 . 1 1 58 58 LEU H H 58 8.960 8.960 8.358 0.602 18978 14607 1 19 . 1 1 59 59 ARG N N 59 125.180 125.180 125.762 -0.582 18978 14608 1 19 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.496 0.434 18978 14609 1 19 . 1 1 59 59 ARG C C 59 175.460 175.460 175.339 0.121 18978 14610 1 19 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.132 -1.092 18978 14611 1 19 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.344 -0.794 18978 14612 1 19 . 1 1 59 59 ARG H H 59 8.130 8.130 8.564 -0.434 18978 14613 1 19 . 1 1 60 60 VAL N N 60 128.170 128.170 127.759 0.411 18978 14614 1 19 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.999 -0.589 18978 14615 1 19 . 1 1 60 60 VAL C C 60 175.460 175.460 174.416 1.044 18978 14616 1 19 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.501 1.709 18978 14617 1 19 . 1 1 60 60 VAL CB C 60 29.840 29.840 32.035 -2.195 18978 14618 1 19 . 1 1 60 60 VAL H H 60 8.450 8.450 8.205 0.245 18978 14619 1 19 . 1 1 61 61 GLU N N 61 127.670 127.670 127.214 0.456 18978 14620 1 19 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.568 0.302 18978 14621 1 19 . 1 1 61 61 GLU C C 61 176.960 176.960 176.457 0.503 18978 14622 1 19 . 1 1 61 61 GLU CA C 61 54.330 54.330 53.973 0.357 18978 14623 1 19 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.147 0.133 18978 14624 1 19 . 1 1 61 61 GLU H H 61 8.620 8.620 7.932 0.688 18978 14625 1 19 . 1 1 62 62 ASP N N 62 121.140 121.140 123.995 -2.855 18978 14626 1 19 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.280 -0.130 18978 14627 1 19 . 1 1 62 62 ASP C C 62 177.460 177.460 176.870 0.590 18978 14628 1 19 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.654 -0.034 18978 14629 1 19 . 1 1 62 62 ASP CB C 62 40.360 40.360 41.011 -0.651 18978 14630 1 19 . 1 1 62 62 ASP H H 62 8.700 8.700 8.892 -0.192 18978 14631 1 19 . 1 1 63 63 ARG N N 63 112.890 112.890 115.987 -3.097 18978 14632 1 19 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.313 -0.033 18978 14633 1 19 . 1 1 63 63 ARG C C 63 176.510 176.510 176.537 -0.027 18978 14634 1 19 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.370 -0.920 18978 14635 1 19 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.976 0.014 18978 14636 1 19 . 1 1 63 63 ARG H H 63 7.760 7.760 7.859 -0.099 18978 14637 1 19 . 1 1 64 64 THR N N 64 120.650 120.650 117.728 2.922 18978 14638 1 19 . 1 1 64 64 THR HA H 64 4.020 4.020 4.362 -0.342 18978 14639 1 19 . 1 1 64 64 THR C C 64 173.810 173.810 173.979 -0.169 18978 14640 1 19 . 1 1 64 64 THR CA C 64 64.060 64.060 62.993 1.067 18978 14641 1 19 . 1 1 64 64 THR CB C 64 69.350 69.350 70.112 -0.762 18978 14642 1 19 . 1 1 64 64 THR H H 64 7.700 7.700 7.710 -0.010 18978 14643 1 19 . 1 1 65 65 LYS N N 65 130.950 130.950 126.671 4.279 18978 14644 1 19 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.472 -0.202 18978 14645 1 19 . 1 1 65 65 LYS C C 65 174.560 174.560 175.095 -0.535 18978 14646 1 19 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.837 0.444 18978 14647 1 19 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.497 -0.377 18978 14648 1 19 . 1 1 65 65 LYS H H 65 8.520 8.520 8.148 0.372 18978 14649 1 19 . 1 1 66 66 ILE N N 66 128.020 128.020 127.226 0.794 18978 14650 1 19 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.738 0.112 18978 14651 1 19 . 1 1 66 66 ILE C C 66 174.650 174.650 175.890 -1.240 18978 14652 1 19 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.237 -0.417 18978 14653 1 19 . 1 1 66 66 ILE CB C 66 38.280 38.280 39.958 -1.678 18978 14654 1 19 . 1 1 66 66 ILE H H 66 8.430 8.430 8.554 -0.124 18978 14655 1 19 . 1 1 67 67 THR N N 67 123.870 123.870 122.865 1.005 18978 14656 1 19 . 1 1 67 67 THR HA H 67 4.470 4.470 4.730 -0.260 18978 14657 1 19 . 1 1 67 67 THR C C 67 172.760 172.760 172.875 -0.115 18978 14658 1 19 . 1 1 67 67 THR CA C 67 60.740 60.740 61.264 -0.524 18978 14659 1 19 . 1 1 67 67 THR CB C 67 71.320 71.320 70.959 0.361 18978 14660 1 19 . 1 1 67 67 THR H H 67 8.870 8.870 8.552 0.318 18978 14661 1 19 . 1 1 68 68 LEU N N 68 127.070 127.070 126.486 0.584 18978 14662 1 19 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.003 0.137 18978 14663 1 19 . 1 1 68 68 LEU C C 68 176.610 176.610 176.940 -0.330 18978 14664 1 19 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.276 -0.996 18978 14665 1 19 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.227 -0.628 18978 14666 1 19 . 1 1 68 68 LEU H H 68 8.820 8.820 8.626 0.194 18978 14667 1 19 . 1 1 69 69 VAL N N 69 124.120 124.120 126.014 -1.894 18978 14668 1 19 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.358 -0.098 18978 14669 1 19 . 1 1 69 69 VAL CA C 69 61.350 61.350 61.911 -0.561 18978 14670 1 19 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.740 0.050 18978 14671 1 19 . 1 1 69 69 VAL H H 69 8.800 8.800 8.500 0.300 18978 14672 1 19 . 1 1 70 70 THR N N 70 114.500 114.500 117.877 -3.377 18978 14673 1 19 . 1 1 70 70 THR HA H 70 4.410 4.410 4.651 -0.241 18978 14674 1 19 . 1 1 70 70 THR CA C 70 60.800 60.800 60.490 0.310 18978 14675 1 19 . 1 1 70 70 THR CB C 70 69.650 69.650 70.462 -0.812 18978 14676 1 19 . 1 1 70 70 THR H H 70 8.160 8.160 8.312 -0.152 18978 14677 1 19 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.518 -0.588 18978 14678 1 19 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.485 1.035 18978 14679 1 19 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.159 1.981 18978 14680 1 19 . 1 1 73 73 VAL N N 73 117.500 117.500 119.343 -1.843 18978 14681 1 19 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.349 0.171 18978 14682 1 19 . 1 1 73 73 VAL C C 73 174.100 174.100 175.257 -1.157 18978 14683 1 19 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.299 -0.289 18978 14684 1 19 . 1 1 73 73 VAL CB C 73 33.330 33.330 32.738 0.592 18978 14685 1 19 . 1 1 73 73 VAL H H 73 7.410 7.410 7.592 -0.182 18978 14686 1 19 . 1 1 74 74 ASP N N 74 124.500 124.500 122.875 1.625 18978 14687 1 19 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.849 0.061 18978 14688 1 19 . 1 1 74 74 ASP C C 74 174.000 174.000 175.266 -1.266 18978 14689 1 19 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.427 0.023 18978 14690 1 19 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.443 1.907 18978 14691 1 19 . 1 1 74 74 ASP H H 74 8.290 8.290 8.366 -0.076 18978 14692 1 19 . 1 1 75 75 VAL N N 75 122.400 122.400 124.436 -2.036 18978 14693 1 19 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.330 0.360 18978 14694 1 19 . 1 1 75 75 VAL C C 75 174.600 174.600 175.190 -0.590 18978 14695 1 19 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.279 -0.079 18978 14696 1 19 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.831 0.499 18978 14697 1 19 . 1 1 75 75 VAL H H 75 7.780 7.780 8.437 -0.657 18978 14698 1 19 . 1 1 76 76 LEU N N 76 130.300 130.300 127.921 2.379 18978 14699 1 19 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.601 0.119 18978 14700 1 19 . 1 1 76 76 LEU C C 76 174.400 174.400 176.119 -1.719 18978 14701 1 19 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.554 -0.924 18978 14702 1 19 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.885 1.075 18978 14703 1 19 . 1 1 76 76 LEU H H 76 9.200 9.200 8.423 0.777 18978 14704 1 19 . 1 1 77 77 GLU N N 77 118.600 118.600 122.954 -4.354 18978 14705 1 19 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.518 0.802 18978 14706 1 19 . 1 1 77 77 GLU C C 77 174.900 174.900 175.064 -0.164 18978 14707 1 19 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.786 -1.696 18978 14708 1 19 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.881 2.319 18978 14709 1 19 . 1 1 77 77 GLU H H 77 8.010 8.010 8.528 -0.518 18978 14710 1 19 . 1 1 78 78 ALA N N 78 124.500 124.500 125.199 -0.699 18978 14711 1 19 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.536 0.104 18978 14712 1 19 . 1 1 78 78 ALA C C 78 175.500 175.500 176.832 -1.332 18978 14713 1 19 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.416 -0.736 18978 14714 1 19 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.317 0.493 18978 14715 1 19 . 1 1 78 78 ALA H H 78 8.800 8.800 8.247 0.553 18978 14716 1 19 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.328 0.152 18978 14717 1 19 . 1 1 79 79 LYS C C 79 174.700 174.700 175.607 -0.907 18978 14718 1 19 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.430 -0.330 18978 14719 1 19 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.671 -1.731 18978 14720 1 19 . 1 1 80 80 ILE N N 80 127.300 127.300 124.543 2.757 18978 14721 1 19 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.247 -0.167 18978 14722 1 19 . 1 1 80 80 ILE C C 80 172.700 172.700 174.958 -2.258 18978 14723 1 19 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.234 -0.294 18978 14724 1 19 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.547 2.383 18978 14725 1 19 . 1 1 80 80 ILE H H 80 7.380 7.380 8.546 -1.166 18978 14726 1 19 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.542 -0.262 18978 14727 1 19 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.835 0.285 18978 14728 1 19 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.092 -0.342 18978 14729 1 19 . 1 1 82 82 GLY N N 82 113.000 113.000 111.913 1.087 18978 14730 1 19 . 1 1 82 82 GLY C C 82 174.600 174.600 174.128 0.472 18978 14731 1 19 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.633 2.237 18978 14732 1 19 . 1 1 82 82 GLY H H 82 8.210 8.210 8.728 -0.518 18978 14733 1 19 . 1 1 83 83 ILE N N 83 121.200 121.200 119.041 2.159 18978 14734 1 19 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.871 -0.531 18978 14735 1 19 . 1 1 83 83 ILE C C 83 175.000 175.000 176.326 -1.326 18978 14736 1 19 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.155 2.555 18978 14737 1 19 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.932 -0.442 18978 14738 1 19 . 1 1 83 83 ILE H H 83 8.350 8.350 8.085 0.265 18978 14739 1 19 . 1 1 84 84 LYS N N 84 129.400 129.400 128.528 0.872 18978 14740 1 19 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.386 0.104 18978 14741 1 19 . 1 1 84 84 LYS C C 84 175.000 175.000 176.232 -1.232 18978 14742 1 19 . 1 1 84 84 LYS CA C 84 56.070 56.070 56.964 -0.894 18978 14743 1 19 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.198 0.292 18978 14744 1 19 . 1 1 84 84 LYS H H 84 9.160 9.160 8.661 0.499 18978 14745 1 19 . 1 1 85 85 ASP N N 85 117.500 117.500 117.192 0.308 18978 14746 1 19 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.895 -0.115 18978 14747 1 19 . 1 1 85 85 ASP C C 85 173.200 173.200 173.810 -0.610 18978 14748 1 19 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.960 -0.870 18978 14749 1 19 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.439 -0.949 18978 14750 1 19 . 1 1 85 85 ASP H H 85 7.990 7.990 7.842 0.148 18978 14751 1 19 . 1 1 86 86 VAL N N 86 119.400 119.400 121.266 -1.866 18978 14752 1 19 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.501 0.669 18978 14753 1 19 . 1 1 86 86 VAL C C 86 172.500 172.500 174.988 -2.488 18978 14754 1 19 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.970 -1.220 18978 14755 1 19 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.090 1.070 18978 14756 1 19 . 1 1 86 86 VAL H H 86 8.210 8.210 8.397 -0.187 18978 14757 1 19 . 1 1 87 87 ILE N N 87 127.100 127.100 128.015 -0.915 18978 14758 1 19 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.479 -0.269 18978 14759 1 19 . 1 1 87 87 ILE C C 87 173.600 173.600 174.582 -0.982 18978 14760 1 19 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.103 0.367 18978 14761 1 19 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.242 1.248 18978 14762 1 19 . 1 1 87 87 ILE H H 87 9.190 9.190 8.693 0.497 18978 14763 1 19 . 1 1 88 88 LEU N N 88 125.700 125.700 127.915 -2.215 18978 14764 1 19 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.674 0.366 18978 14765 1 19 . 1 1 88 88 LEU C C 88 174.500 174.500 175.831 -1.331 18978 14766 1 19 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.150 -1.210 18978 14767 1 19 . 1 1 88 88 LEU CB C 88 43.510 43.510 43.597 -0.087 18978 14768 1 19 . 1 1 88 88 LEU H H 88 7.840 7.840 8.491 -0.651 18978 14769 1 19 . 1 1 89 89 ASP N N 89 127.800 127.800 123.431 4.369 18978 14770 1 19 . 1 1 89 89 ASP HA H 89 4.770 4.770 5.006 -0.236 18978 14771 1 19 . 1 1 89 89 ASP C C 89 174.100 174.100 176.274 -2.174 18978 14772 1 19 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.464 0.156 18978 14773 1 19 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.617 -0.547 18978 14774 1 19 . 1 1 89 89 ASP H H 89 8.280 8.280 8.732 -0.452 18978 14775 1 19 . 1 1 90 90 GLU N N 90 122.400 122.400 123.991 -1.591 18978 14776 1 19 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.039 -0.189 18978 14777 1 19 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.166 -0.336 18978 14778 1 19 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.888 -0.478 18978 14779 1 19 . 1 1 90 90 GLU H H 90 8.980 8.980 8.733 0.247 18978 14780 1 19 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.850 -0.570 18978 14781 1 19 . 1 1 91 91 ASN C C 91 173.600 173.600 174.015 -0.415 18978 14782 1 19 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.081 2.079 18978 14783 1 19 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.174 0.726 18978 14784 1 19 . 1 1 92 92 LEU N N 92 117.400 117.400 120.365 -2.965 18978 14785 1 19 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.640 0.390 18978 14786 1 19 . 1 1 92 92 LEU C C 92 174.700 174.700 173.796 0.904 18978 14787 1 19 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.623 -1.923 18978 14788 1 19 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.080 1.170 18978 14789 1 19 . 1 1 92 92 LEU H H 92 7.110 7.110 7.781 -0.671 18978 14790 1 19 . 1 1 93 93 ILE N N 93 121.300 121.300 122.676 -1.376 18978 14791 1 19 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.534 -0.084 18978 14792 1 19 . 1 1 93 93 ILE C C 93 174.000 174.000 174.145 -0.145 18978 14793 1 19 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.671 0.299 18978 14794 1 19 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.981 -0.351 18978 14795 1 19 . 1 1 93 93 ILE H H 93 8.450 8.450 8.632 -0.182 18978 14796 1 19 . 1 1 94 94 VAL N N 94 128.000 128.000 127.705 0.295 18978 14797 1 19 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.902 -0.062 18978 14798 1 19 . 1 1 94 94 VAL C C 94 174.000 174.000 174.553 -0.553 18978 14799 1 19 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.995 0.105 18978 14800 1 19 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.058 -1.938 18978 14801 1 19 . 1 1 94 94 VAL H H 94 8.970 8.970 8.404 0.566 18978 14802 1 19 . 1 1 95 95 VAL N N 95 127.700 127.700 126.623 1.077 18978 14803 1 19 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.607 0.063 18978 14804 1 19 . 1 1 95 95 VAL C C 95 173.300 173.300 174.680 -1.380 18978 14805 1 19 . 1 1 95 95 VAL CA C 95 60.840 60.840 60.946 -0.106 18978 14806 1 19 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.725 -0.485 18978 14807 1 19 . 1 1 95 95 VAL H H 95 9.420 9.420 8.592 0.828 18978 14808 1 19 . 1 1 96 96 ILE N N 96 126.000 126.000 127.629 -1.629 18978 14809 1 19 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.929 0.291 18978 14810 1 19 . 1 1 96 96 ILE C C 96 177.100 177.100 175.771 1.329 18978 14811 1 19 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.948 -0.378 18978 14812 1 19 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.114 0.636 18978 14813 1 19 . 1 1 96 96 ILE H H 96 8.460 8.460 8.779 -0.319 18978 14814 1 19 . 1 1 97 97 THR N N 97 118.100 118.100 118.383 -0.283 18978 14815 1 19 . 1 1 97 97 THR HA H 97 5.250 5.250 4.856 0.394 18978 14816 1 19 . 1 1 97 97 THR C C 97 176.300 176.300 175.697 0.603 18978 14817 1 19 . 1 1 97 97 THR CA C 97 59.650 59.650 59.766 -0.116 18978 14818 1 19 . 1 1 97 97 THR CB C 97 71.890 71.890 71.543 0.346 18978 14819 1 19 . 1 1 97 97 THR H H 97 9.050 9.050 8.532 0.518 18978 14820 1 19 . 1 1 98 98 GLU N N 98 120.100 120.100 122.805 -2.705 18978 14821 1 19 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.932 0.188 18978 14822 1 19 . 1 1 98 98 GLU C C 98 176.200 176.200 177.662 -1.462 18978 14823 1 19 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.873 -1.983 18978 14824 1 19 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.788 -0.258 18978 14825 1 19 . 1 1 98 98 GLU H H 98 9.220 9.220 8.133 1.087 18978 14826 1 19 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.316 -0.166 18978 14827 1 19 . 1 1 99 99 GLU C C 99 174.200 174.200 175.781 -1.581 18978 14828 1 19 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.096 2.114 18978 14829 1 19 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.522 1.348 18978 14830 1 19 . 1 1 100 100 ASN N N 100 113.200 113.200 114.092 -0.892 18978 14831 1 19 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.389 -0.279 18978 14832 1 19 . 1 1 100 100 ASN C C 100 173.700 173.700 173.516 0.184 18978 14833 1 19 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.601 -0.201 18978 14834 1 19 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.301 -0.441 18978 14835 1 19 . 1 1 100 100 ASN H H 100 8.020 8.020 8.106 -0.086 18978 14836 1 19 . 1 1 101 101 GLU N N 101 115.500 115.500 118.095 -2.595 18978 14837 1 19 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.801 0.349 18978 14838 1 19 . 1 1 101 101 GLU C C 101 174.900 174.900 174.281 0.619 18978 14839 1 19 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.108 -0.059 18978 14840 1 19 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.542 -2.142 18978 14841 1 19 . 1 1 101 101 GLU H H 101 7.230 7.230 7.342 -0.112 18978 14842 1 19 . 1 1 102 102 VAL N N 102 122.700 122.700 124.418 -1.718 18978 14843 1 19 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.657 0.263 18978 14844 1 19 . 1 1 102 102 VAL C C 102 173.700 173.700 174.527 -0.827 18978 14845 1 19 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.448 -0.528 18978 14846 1 19 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.459 0.351 18978 14847 1 19 . 1 1 102 102 VAL H H 102 8.710 8.710 8.792 -0.082 18978 14848 1 19 . 1 1 103 103 LEU N N 103 127.300 127.300 127.891 -0.591 18978 14849 1 19 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.760 -0.460 18978 14850 1 19 . 1 1 103 103 LEU C C 103 174.500 174.500 175.403 -0.903 18978 14851 1 19 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.759 0.061 18978 14852 1 19 . 1 1 103 103 LEU H H 103 9.140 9.140 8.467 0.673 18978 14853 1 19 . 1 1 104 104 ILE N N 104 122.200 122.200 121.425 0.775 18978 14854 1 19 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.708 0.032 18978 14855 1 19 . 1 1 104 104 ILE C C 104 173.600 173.600 174.474 -0.874 18978 14856 1 19 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.383 -0.163 18978 14857 1 19 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.758 -0.608 18978 14858 1 19 . 1 1 104 104 ILE H H 104 8.470 8.470 8.160 0.310 18978 14859 1 19 . 1 1 105 105 PHE N N 105 126.600 126.600 125.048 1.552 18978 14860 1 19 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.726 -0.156 18978 14861 1 19 . 1 1 105 105 PHE C C 105 175.800 175.800 175.221 0.579 18978 14862 1 19 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.689 -0.239 18978 14863 1 19 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.570 1.100 18978 14864 1 19 . 1 1 105 105 PHE H H 105 9.330 9.330 9.030 0.300 18978 14865 1 19 . 1 1 106 106 ASN N N 106 116.000 116.000 118.450 -2.450 18978 14866 1 19 . 1 1 106 106 ASN HA H 106 5.470 5.470 4.991 0.479 18978 14867 1 19 . 1 1 106 106 ASN C C 106 176.700 176.700 177.011 -0.311 18978 14868 1 19 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.197 -0.697 18978 14869 1 19 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.431 -0.831 18978 14870 1 19 . 1 1 106 106 ASN H H 106 7.710 7.710 8.300 -0.590 18978 14871 1 19 . 1 1 107 107 GLN N N 107 114.500 114.500 119.696 -5.196 18978 14872 1 19 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.032 -0.142 18978 14873 1 19 . 1 1 107 107 GLN C C 107 173.700 173.700 175.982 -2.282 18978 14874 1 19 . 1 1 107 107 GLN CA C 107 57.510 57.510 59.120 -1.611 18978 14875 1 19 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.372 -1.282 18978 14876 1 19 . 1 1 107 107 GLN H H 107 8.040 8.040 8.762 -0.722 18978 14877 1 19 . 1 1 108 108 ASN N N 108 115.800 115.800 115.935 -0.135 18978 14878 1 19 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.615 0.055 18978 14879 1 19 . 1 1 108 108 ASN C C 108 173.600 173.600 174.955 -1.355 18978 14880 1 19 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.757 -0.667 18978 14881 1 19 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.337 0.523 18978 14882 1 19 . 1 1 108 108 ASN H H 108 7.440 7.440 8.073 -0.633 18978 14883 1 19 . 1 1 109 109 LEU N N 109 115.200 115.200 118.420 -3.220 18978 14884 1 19 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.796 -0.266 18978 14885 1 19 . 1 1 109 109 LEU C C 109 174.700 174.700 175.064 -0.364 18978 14886 1 19 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.160 -0.390 18978 14887 1 19 . 1 1 109 109 LEU CB C 109 38.700 38.700 40.058 -1.358 18978 14888 1 19 . 1 1 109 109 LEU H H 109 8.220 8.220 7.622 0.598 18978 14889 1 19 . 1 1 110 110 GLU N N 110 117.600 117.600 119.155 -1.555 18978 14890 1 19 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.696 -0.276 18978 14891 1 19 . 1 1 110 110 GLU C C 110 175.800 175.800 175.847 -0.047 18978 14892 1 19 . 1 1 110 110 GLU CA C 110 55.180 55.180 55.017 0.163 18978 14893 1 19 . 1 1 110 110 GLU CB C 110 28.820 28.820 32.163 -3.343 18978 14894 1 19 . 1 1 110 110 GLU H H 110 7.550 7.550 8.270 -0.720 18978 14895 1 19 . 1 1 111 111 GLU N N 111 125.900 125.900 122.486 3.414 18978 14896 1 19 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.068 -0.238 18978 14897 1 19 . 1 1 111 111 GLU C C 111 175.400 175.400 176.024 -0.624 18978 14898 1 19 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.739 -1.099 18978 14899 1 19 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.772 0.848 18978 14900 1 19 . 1 1 111 111 GLU H H 111 8.350 8.350 8.929 -0.579 18978 14901 1 19 . 1 1 112 112 LEU N N 112 128.000 128.000 126.565 1.435 18978 14902 1 19 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.474 -0.204 18978 14903 1 19 . 1 1 112 112 LEU C C 112 176.100 176.100 176.477 -0.377 18978 14904 1 19 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.470 -0.440 18978 14905 1 19 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.133 -1.363 18978 14906 1 19 . 1 1 112 112 LEU H H 112 9.110 9.110 8.267 0.843 18978 14907 1 19 . 1 1 113 113 TYR N N 113 116.300 116.300 119.478 -3.178 18978 14908 1 19 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.668 -0.338 18978 14909 1 19 . 1 1 113 113 TYR C C 113 171.700 171.700 173.015 -1.315 18978 14910 1 19 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.580 0.380 18978 14911 1 19 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.132 -0.412 18978 14912 1 19 . 1 1 113 113 TYR H H 113 7.250 7.250 7.487 -0.237 18978 14913 1 19 . 1 1 114 114 ARG N N 114 126.200 126.200 124.668 1.532 18978 14914 1 19 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.951 0.069 18978 14915 1 19 . 1 1 114 114 ARG C C 114 173.500 173.500 174.746 -1.246 18978 14916 1 19 . 1 1 114 114 ARG CA C 114 54.620 54.620 55.041 -0.421 18978 14917 1 19 . 1 1 114 114 ARG CB C 114 33.450 33.450 33.087 0.363 18978 14918 1 19 . 1 1 114 114 ARG H H 114 6.560 6.560 7.879 -1.319 18978 14919 1 19 . 1 1 115 115 GLY N N 115 111.300 111.300 110.964 0.336 18978 14920 1 19 . 1 1 115 115 GLY C C 115 178.100 178.100 171.174 6.926 18978 14921 1 19 . 1 1 115 115 GLY CA C 115 44.410 44.410 45.042 -0.632 18978 14922 1 19 . 1 1 115 115 GLY H H 115 8.320 8.320 8.416 -0.096 18978 14923 1 19 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.464 0.306 18978 14924 1 19 . 1 1 116 116 LYS C C 116 174.400 174.400 174.676 -0.276 18978 14925 1 19 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.272 -0.082 18978 14926 1 19 . 1 1 116 116 LYS CB C 116 34.340 34.340 34.908 -0.568 18978 14927 1 19 . 1 1 117 117 PHE N N 117 125.800 125.800 124.253 1.547 18978 14928 1 19 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.844 -0.294 18978 14929 1 19 . 1 1 117 117 PHE C C 117 174.000 174.000 176.102 -2.102 18978 14930 1 19 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.575 0.275 18978 14931 1 19 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.776 0.384 18978 14932 1 19 . 1 1 117 117 PHE H H 117 8.090 8.090 8.600 -0.510 18978 14933 1 19 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.860 -0.200 18978 14934 1 19 . 1 1 119 119 ASN C C 119 173.500 173.500 174.229 -0.729 18978 14935 1 19 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.820 -0.340 18978 14936 1 19 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.419 -0.229 18978 14937 1 19 . 1 1 120 120 LEU N N 120 120.200 120.200 121.248 -1.048 18978 14938 1 19 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.022 -0.192 18978 14939 1 19 . 1 1 120 120 LEU C C 120 175.000 175.000 175.776 -0.776 18978 14940 1 19 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.361 -0.091 18978 14941 1 19 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.023 0.747 18978 14942 1 19 . 1 1 120 120 LEU H H 120 6.900 6.900 7.465 -0.565 18978 14943 1 19 . 1 1 121 121 ASN N N 121 124.200 124.200 124.896 -0.696 18978 14944 1 19 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.845 0.045 18978 14945 1 19 . 1 1 121 121 ASN C C 121 174.300 174.300 175.380 -1.080 18978 14946 1 19 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.505 -0.625 18978 14947 1 19 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.755 -0.315 18978 14948 1 19 . 1 1 121 121 ASN H H 121 8.900 8.900 8.484 0.416 18978 14949 1 19 . 1 1 122 122 LYS N N 122 115.100 115.100 119.346 -4.246 18978 14950 1 19 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.610 -0.140 18978 14951 1 19 . 1 1 122 122 LYS C C 122 172.500 172.500 174.029 -1.529 18978 14952 1 19 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.629 0.071 18978 14953 1 19 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.801 -1.141 18978 14954 1 19 . 1 1 122 122 LYS H H 122 7.410 7.410 7.745 -0.335 18978 14955 1 19 . 1 1 123 123 VAL N N 123 121.500 121.500 120.879 0.621 18978 14956 1 19 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.458 0.362 18978 14957 1 19 . 1 1 123 123 VAL C C 123 173.400 173.400 174.699 -1.299 18978 14958 1 19 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.260 -0.570 18978 14959 1 19 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.940 0.210 18978 14960 1 19 . 1 1 123 123 VAL H H 123 7.730 7.730 8.372 -0.642 18978 14961 1 19 . 1 1 124 124 LEU N N 124 126.600 126.600 129.798 -3.198 18978 14962 1 19 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.864 -0.144 18978 14963 1 19 . 1 1 124 124 LEU C C 124 174.200 174.200 174.237 -0.037 18978 14964 1 19 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.328 -0.948 18978 14965 1 19 . 1 1 124 124 LEU CB C 124 45.110 45.110 45.997 -0.887 18978 14966 1 19 . 1 1 124 124 LEU H H 124 9.060 9.060 8.369 0.691 18978 14967 1 19 . 1 1 125 125 VAL N N 125 120.300 120.300 124.169 -3.869 18978 14968 1 19 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.466 0.204 18978 14969 1 19 . 1 1 125 125 VAL C C 125 174.700 174.700 174.457 0.243 18978 14970 1 19 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.536 -0.246 18978 14971 1 19 . 1 1 125 125 VAL CB C 125 34.250 34.250 33.571 0.679 18978 14972 1 19 . 1 1 125 125 VAL H H 125 8.030 8.030 8.416 -0.386 18978 14973 1 19 . 1 1 126 126 ARG N N 126 127.100 127.100 127.406 -0.306 18978 14974 1 19 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.764 -0.294 18978 14975 1 19 . 1 1 126 126 ARG C C 126 174.400 174.400 175.748 -1.348 18978 14976 1 19 . 1 1 126 126 ARG CA C 126 55.830 55.830 53.748 2.082 18978 14977 1 19 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.618 -1.319 18978 14978 1 19 . 1 1 126 126 ARG H H 126 8.630 8.630 8.443 0.187 18978 14979 1 19 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.334 -0.044 18978 14980 1 19 . 1 1 127 127 ASN C C 127 172.600 172.600 174.378 -1.778 18978 14981 1 19 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.115 0.945 18978 14982 1 19 . 1 1 127 127 ASN CB C 127 36.950 36.950 38.285 -1.335 18978 14983 1 19 . 1 1 128 128 ASP N N 128 117.600 117.600 118.619 -1.019 18978 14984 1 19 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.602 -0.152 18978 14985 1 19 . 1 1 128 128 ASP C C 128 174.000 174.000 175.466 -1.466 18978 14986 1 19 . 1 1 128 128 ASP CA C 128 53.520 53.520 55.047 -1.527 18978 14987 1 19 . 1 1 128 128 ASP CB C 128 39.810 39.810 40.398 -0.588 18978 14988 1 19 . 1 1 128 128 ASP H H 128 8.560 8.560 8.539 0.021 18978 14989 1 19 . 1 1 129 129 LEU N N 129 121.500 121.500 119.619 1.881 18978 14990 1 19 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.611 0.459 18978 14991 1 19 . 1 1 129 129 LEU C C 129 174.800 174.800 174.655 0.145 18978 14992 1 19 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.067 -0.267 18978 14993 1 19 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.982 0.138 18978 14994 1 19 . 1 1 129 129 LEU H H 129 7.730 7.730 7.603 0.127 18978 14995 1 19 . 1 1 130 130 VAL N N 130 120.600 120.600 121.525 -0.925 18978 14996 1 19 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.595 0.115 18978 14997 1 19 . 1 1 130 130 VAL C C 130 173.500 173.500 173.394 0.106 18978 14998 1 19 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.193 0.327 18978 14999 1 19 . 1 1 130 130 VAL CB C 130 33.750 33.750 36.140 -2.390 18978 15000 1 19 . 1 1 130 130 VAL H H 130 8.410 8.410 7.971 0.439 18978 15001 1 19 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.685 -0.085 18978 15002 1 19 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.832 -0.242 18978 15003 1 19 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.599 -1.739 18978 15004 1 19 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.365 -0.065 18978 15005 1 19 . 1 1 132 132 ILE C C 132 174.900 174.900 174.267 0.633 18978 15006 1 19 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.158 0.322 18978 15007 1 19 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.695 -0.645 18978 15008 1 19 . 1 1 133 133 ILE N N 133 126.200 126.200 126.770 -0.570 18978 15009 1 19 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.398 0.272 18978 15010 1 19 . 1 1 133 133 ILE C C 133 174.200 174.200 174.070 0.130 18978 15011 1 19 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.606 1.324 18978 15012 1 19 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.721 1.399 18978 15013 1 19 . 1 1 133 133 ILE H H 133 8.490 8.490 8.553 -0.063 18978 15014 1 19 . 1 1 134 134 ASP N N 134 130.100 130.100 125.663 4.437 18978 15015 1 19 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.203 -0.253 18978 15016 1 19 . 1 1 134 134 ASP C C 134 174.600 174.600 176.658 -2.058 18978 15017 1 19 . 1 1 134 134 ASP CA C 134 52.390 52.390 51.898 0.492 18978 15018 1 19 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.034 -0.664 18978 15019 1 19 . 1 1 134 134 ASP H H 134 8.360 8.360 8.103 0.257 18978 15020 1 19 . 1 1 135 135 GLU N N 135 118.000 118.000 121.830 -3.830 18978 15021 1 19 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.943 0.267 18978 15022 1 19 . 1 1 135 135 GLU C C 135 176.200 176.200 177.506 -1.306 18978 15023 1 19 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.175 -0.425 18978 15024 1 19 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.607 0.683 18978 15025 1 19 . 1 1 135 135 GLU H H 135 7.840 7.840 8.624 -0.784 18978 15026 1 19 . 1 1 136 136 GLN N N 136 115.200 115.200 116.041 -0.841 18978 15027 1 19 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.227 0.643 18978 15028 1 19 . 1 1 136 136 GLN C C 136 174.900 174.900 175.885 -0.985 18978 15029 1 19 . 1 1 136 136 GLN CA C 136 55.500 55.500 57.044 -1.544 18978 15030 1 19 . 1 1 136 136 GLN CB C 136 30.930 30.930 29.697 1.233 18978 15031 1 19 . 1 1 136 136 GLN H H 136 8.860 8.860 8.493 0.367 18978 15032 1 19 . 1 1 137 137 LYS N N 137 118.100 118.100 114.810 3.290 18978 15033 1 19 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.495 0.415 18978 15034 1 19 . 1 1 137 137 LYS C C 137 172.400 172.400 173.686 -1.286 18978 15035 1 19 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.183 0.717 18978 15036 1 19 . 1 1 137 137 LYS CB C 137 35.540 35.540 34.852 0.688 18978 15037 1 19 . 1 1 137 137 LYS H H 137 8.260 8.260 8.082 0.178 18978 15038 1 19 . 1 1 138 138 LEU N N 138 123.500 123.500 122.098 1.402 18978 15039 1 19 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.710 0.150 18978 15040 1 19 . 1 1 138 138 LEU C C 138 174.400 174.400 176.066 -1.666 18978 15041 1 19 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.917 -0.407 18978 15042 1 19 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.545 0.415 18978 15043 1 19 . 1 1 138 138 LEU H H 138 8.410 8.410 8.455 -0.045 18978 15044 1 19 . 1 1 139 139 THR N N 139 123.600 123.600 123.184 0.416 18978 15045 1 19 . 1 1 139 139 THR HA H 139 4.830 4.830 4.584 0.246 18978 15046 1 19 . 1 1 139 139 THR C C 139 171.400 171.400 172.543 -1.143 18978 15047 1 19 . 1 1 139 139 THR CA C 139 62.240 62.240 61.741 0.499 18978 15048 1 19 . 1 1 139 139 THR CB C 139 70.120 70.120 69.959 0.161 18978 15049 1 19 . 1 1 139 139 THR H H 139 8.820 8.820 8.360 0.460 18978 15050 1 19 . 1 1 140 140 LEU N N 140 130.500 130.500 129.134 1.366 18978 15051 1 19 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.570 0.460 18978 15052 1 19 . 1 1 140 140 LEU C C 140 173.700 173.700 175.151 -1.451 18978 15053 1 19 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.362 -0.982 18978 15054 1 19 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.166 0.724 18978 15055 1 19 . 1 1 140 140 LEU H H 140 9.250 9.250 8.619 0.631 18978 15056 1 19 . 1 1 141 141 ILE N N 141 127.300 127.300 128.176 -0.876 18978 15057 1 19 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.372 0.288 18978 15058 1 19 . 1 1 141 141 ILE C C 141 174.200 174.200 174.386 -0.186 18978 15059 1 19 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.622 -1.112 18978 15060 1 19 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.930 -1.080 18978 15061 1 19 . 1 1 141 141 ILE H H 141 9.140 9.140 8.430 0.710 18978 15062 1 19 . 1 1 142 142 ARG N N 142 126.500 126.500 127.490 -0.990 18978 15063 1 19 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.637 0.243 18978 15064 1 19 . 1 1 142 142 ARG C C 142 175.100 175.100 175.746 -0.646 18978 15065 1 19 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.134 -0.594 18978 15066 1 19 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.801 -0.301 18978 15067 1 19 . 1 1 142 142 ARG H H 142 8.550 8.550 8.671 -0.121 18978 15068 1 20 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.578 -1.578 18978 15069 1 20 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.669 0.481 18978 15070 1 20 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.100 0.290 18978 15071 1 20 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.842 -3.112 18978 15072 1 20 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.229 -0.189 18978 15073 1 20 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.777 0.103 18978 15074 1 20 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.923 0.187 18978 15075 1 20 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.120 -0.360 18978 15076 1 20 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.098 -0.228 18978 15077 1 20 . 1 1 0 0 ILE N N 0 125.570 125.570 127.147 -1.577 18978 15078 1 20 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.409 -0.319 18978 15079 1 20 . 1 1 0 0 ILE C C 0 175.850 175.850 175.529 0.321 18978 15080 1 20 . 1 1 0 0 ILE CA C 0 60.800 60.800 59.795 1.004 18978 15081 1 20 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.334 0.136 18978 15082 1 20 . 1 1 0 0 ILE H H 0 8.230 8.230 8.389 -0.159 18978 15083 1 20 . 1 1 1 1 MET N N 1 125.930 125.930 125.999 -0.069 18978 15084 1 20 . 1 1 1 1 MET HA H 1 4.540 4.540 4.807 -0.267 18978 15085 1 20 . 1 1 1 1 MET C C 1 174.830 174.830 175.287 -0.457 18978 15086 1 20 . 1 1 1 1 MET CA C 1 54.790 54.790 55.424 -0.634 18978 15087 1 20 . 1 1 1 1 MET CB C 1 32.640 32.640 32.994 -0.354 18978 15088 1 20 . 1 1 1 1 MET H H 1 8.370 8.370 8.399 -0.029 18978 15089 1 20 . 1 1 2 2 SER N N 2 116.400 116.400 119.783 -3.383 18978 15090 1 20 . 1 1 2 2 SER HA H 2 5.030 5.030 5.100 -0.070 18978 15091 1 20 . 1 1 2 2 SER C C 2 174.330 174.330 173.716 0.614 18978 15092 1 20 . 1 1 2 2 SER CA C 2 57.320 57.320 57.148 0.172 18978 15093 1 20 . 1 1 2 2 SER CB C 2 64.790 64.790 66.543 -1.752 18978 15094 1 20 . 1 1 2 2 SER H H 2 7.990 7.990 8.430 -0.440 18978 15095 1 20 . 1 1 3 3 GLU N N 3 123.670 123.670 121.955 1.715 18978 15096 1 20 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.450 -0.200 18978 15097 1 20 . 1 1 3 3 GLU C C 3 172.980 172.980 174.872 -1.892 18978 15098 1 20 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.511 -0.121 18978 15099 1 20 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.559 -0.650 18978 15100 1 20 . 1 1 3 3 GLU H H 3 9.430 9.430 8.466 0.964 18978 15101 1 20 . 1 1 4 4 LEU N N 4 125.350 125.350 123.403 1.947 18978 15102 1 20 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.901 -0.031 18978 15103 1 20 . 1 1 4 4 LEU C C 4 174.000 174.000 175.485 -1.485 18978 15104 1 20 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.664 -0.644 18978 15105 1 20 . 1 1 4 4 LEU CB C 4 46.040 46.040 44.542 1.498 18978 15106 1 20 . 1 1 4 4 LEU H H 4 8.930 8.930 8.538 0.392 18978 15107 1 20 . 1 1 5 5 LYS N N 5 124.640 124.640 124.054 0.586 18978 15108 1 20 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.104 0.256 18978 15109 1 20 . 1 1 5 5 LYS C C 5 175.660 175.660 175.415 0.245 18978 15110 1 20 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.339 -0.399 18978 15111 1 20 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.147 0.133 18978 15112 1 20 . 1 1 5 5 LYS H H 5 8.840 8.840 8.350 0.490 18978 15113 1 20 . 1 1 6 6 LEU N N 6 123.460 123.460 125.032 -1.572 18978 15114 1 20 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.146 0.284 18978 15115 1 20 . 1 1 6 6 LEU C C 6 174.630 174.630 175.284 -0.654 18978 15116 1 20 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.474 -0.574 18978 15117 1 20 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.451 1.459 18978 15118 1 20 . 1 1 6 6 LEU H H 6 8.820 8.820 8.281 0.539 18978 15119 1 20 . 1 1 7 7 LYS N N 7 122.230 122.230 121.714 0.516 18978 15120 1 20 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.064 0.426 18978 15121 1 20 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.819 -0.549 18978 15122 1 20 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.982 0.518 18978 15123 1 20 . 1 1 7 7 LYS H H 7 9.110 9.110 8.435 0.675 18978 15124 1 20 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.657 -0.557 18978 15125 1 20 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.246 0.194 18978 15126 1 20 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.668 -2.028 18978 15127 1 20 . 1 1 9 9 LEU N N 9 123.250 123.250 122.149 1.101 18978 15128 1 20 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.340 -0.020 18978 15129 1 20 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.496 1.183 18978 15130 1 20 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.137 -1.377 18978 15131 1 20 . 1 1 9 9 LEU H H 9 8.490 8.490 7.891 0.599 18978 15132 1 20 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.441 0.089 18978 15133 1 20 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.044 0.836 18978 15134 1 20 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.142 -0.722 18978 15135 1 20 . 1 1 11 11 LYS N N 11 119.160 119.160 121.761 -2.601 18978 15136 1 20 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.261 -0.151 18978 15137 1 20 . 1 1 11 11 LYS C C 11 175.680 175.680 175.831 -0.151 18978 15138 1 20 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.134 0.076 18978 15139 1 20 . 1 1 11 11 LYS CB C 11 30.660 30.660 32.215 -1.555 18978 15140 1 20 . 1 1 11 11 LYS H H 11 8.180 8.180 8.337 -0.157 18978 15141 1 20 . 1 1 12 12 VAL N N 12 121.820 121.820 123.567 -1.747 18978 15142 1 20 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.315 -0.035 18978 15143 1 20 . 1 1 12 12 VAL C C 12 173.690 173.690 174.758 -1.068 18978 15144 1 20 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.989 -1.159 18978 15145 1 20 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.416 0.134 18978 15146 1 20 . 1 1 12 12 VAL H H 12 7.530 7.530 8.140 -0.610 18978 15147 1 20 . 1 1 13 13 GLU N N 13 125.610 125.610 124.280 1.330 18978 15148 1 20 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.446 -0.116 18978 15149 1 20 . 1 1 13 13 GLU C C 13 175.390 175.390 175.934 -0.544 18978 15150 1 20 . 1 1 13 13 GLU CA C 13 55.220 55.220 56.140 -0.920 18978 15151 1 20 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.224 -0.254 18978 15152 1 20 . 1 1 13 13 GLU H H 13 8.270 8.270 8.365 -0.095 18978 15153 1 20 . 1 1 14 14 LEU N N 14 125.880 125.880 126.483 -0.603 18978 15154 1 20 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.533 -0.013 18978 15155 1 20 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.011 -0.351 18978 15156 1 20 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.845 -0.095 18978 15157 1 20 . 1 1 14 14 LEU H H 14 8.480 8.480 8.313 0.167 18978 15158 1 20 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.644 0.116 18978 15159 1 20 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.908 -0.578 18978 15160 1 20 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.298 -0.238 18978 15161 1 20 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.245 0.145 18978 15162 1 20 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.116 -0.566 18978 15163 1 20 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.852 -0.083 18978 15164 1 20 . 1 1 17 17 ASP N N 17 115.820 115.820 115.269 0.551 18978 15165 1 20 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.577 0.043 18978 15166 1 20 . 1 1 17 17 ASP C C 17 177.100 177.100 177.017 0.083 18978 15167 1 20 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.523 -0.633 18978 15168 1 20 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.349 -0.229 18978 15169 1 20 . 1 1 17 17 ASP H H 17 8.560 8.560 8.771 -0.211 18978 15170 1 20 . 1 1 18 18 PHE N N 18 119.610 119.610 121.725 -2.115 18978 15171 1 20 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.112 0.068 18978 15172 1 20 . 1 1 18 18 PHE C C 18 176.740 176.740 176.616 0.124 18978 15173 1 20 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.904 -0.883 18978 15174 1 20 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.317 -0.087 18978 15175 1 20 . 1 1 18 18 PHE H H 18 7.940 7.940 7.663 0.277 18978 15176 1 20 . 1 1 19 19 VAL N N 19 116.370 116.370 118.519 -2.149 18978 15177 1 20 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.630 -0.280 18978 15178 1 20 . 1 1 19 19 VAL C C 19 176.400 176.400 177.735 -1.335 18978 15179 1 20 . 1 1 19 19 VAL CA C 19 66.510 66.510 67.278 -0.769 18978 15180 1 20 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.235 -0.215 18978 15181 1 20 . 1 1 19 19 VAL H H 19 8.010 8.010 8.191 -0.181 18978 15182 1 20 . 1 1 20 20 ASP N N 20 119.190 119.190 119.418 -0.228 18978 15183 1 20 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.345 -0.035 18978 15184 1 20 . 1 1 20 20 ASP C C 20 178.360 178.360 178.858 -0.498 18978 15185 1 20 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.679 -0.569 18978 15186 1 20 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.249 0.201 18978 15187 1 20 . 1 1 20 20 ASP H H 20 7.420 7.420 7.749 -0.329 18978 15188 1 20 . 1 1 21 21 VAL N N 21 119.830 119.830 120.378 -0.548 18978 15189 1 20 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.608 -0.098 18978 15190 1 20 . 1 1 21 21 VAL C C 21 178.100 178.100 177.863 0.237 18978 15191 1 20 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.142 -0.572 18978 15192 1 20 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.345 0.065 18978 15193 1 20 . 1 1 21 21 VAL H H 21 7.190 7.190 7.506 -0.316 18978 15194 1 20 . 1 1 22 22 ILE N N 22 118.490 118.490 119.298 -0.808 18978 15195 1 20 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.432 -0.262 18978 15196 1 20 . 1 1 22 22 ILE C C 22 176.660 176.660 178.066 -1.406 18978 15197 1 20 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.775 1.445 18978 15198 1 20 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.229 1.271 18978 15199 1 20 . 1 1 22 22 ILE H H 22 7.660 7.660 7.573 0.087 18978 15200 1 20 . 1 1 23 23 ARG N N 23 118.260 118.260 120.429 -2.169 18978 15201 1 20 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.920 -0.540 18978 15202 1 20 . 1 1 23 23 ARG C C 23 178.060 178.060 178.837 -0.777 18978 15203 1 20 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.980 0.590 18978 15204 1 20 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.090 -0.020 18978 15205 1 20 . 1 1 23 23 ARG H H 23 7.830 7.830 7.703 0.127 18978 15206 1 20 . 1 1 24 24 ILE N N 24 116.750 116.750 118.474 -1.724 18978 15207 1 20 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.683 0.037 18978 15208 1 20 . 1 1 24 24 ILE C C 24 179.090 179.090 177.080 2.010 18978 15209 1 20 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.441 -0.381 18978 15210 1 20 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.734 0.296 18978 15211 1 20 . 1 1 24 24 ILE H H 24 7.350 7.350 7.571 -0.221 18978 15212 1 20 . 1 1 25 25 LYS N N 25 118.700 118.700 118.302 0.398 18978 15213 1 20 . 1 1 25 25 LYS HA H 25 4.090 4.090 3.984 0.106 18978 15214 1 20 . 1 1 25 25 LYS C C 25 178.560 178.560 178.336 0.224 18978 15215 1 20 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.428 -0.778 18978 15216 1 20 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.694 -0.604 18978 15217 1 20 . 1 1 25 25 LYS H H 25 7.880 7.880 7.559 0.321 18978 15218 1 20 . 1 1 26 26 LEU N N 26 116.380 116.380 118.846 -2.466 18978 15219 1 20 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.164 0.066 18978 15220 1 20 . 1 1 26 26 LEU C C 26 175.880 175.880 177.127 -1.247 18978 15221 1 20 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.905 -1.815 18978 15222 1 20 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.790 0.520 18978 15223 1 20 . 1 1 26 26 LEU H H 26 7.860 7.860 7.789 0.071 18978 15224 1 20 . 1 1 27 27 GLN N N 27 119.210 119.210 117.305 1.905 18978 15225 1 20 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.844 -0.314 18978 15226 1 20 . 1 1 27 27 GLN C C 27 177.480 177.480 177.134 0.346 18978 15227 1 20 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.416 0.954 18978 15228 1 20 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.750 -0.450 18978 15229 1 20 . 1 1 27 27 GLN H H 27 7.190 7.190 7.649 -0.459 18978 15230 1 20 . 1 1 28 28 GLY N N 28 113.490 113.490 114.161 -0.671 18978 15231 1 20 . 1 1 28 28 GLY C C 28 174.070 174.070 174.574 -0.504 18978 15232 1 20 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.956 0.324 18978 15233 1 20 . 1 1 28 28 GLY H H 28 8.940 8.940 8.633 0.307 18978 15234 1 20 . 1 1 29 29 LYS N N 29 122.060 122.060 121.973 0.087 18978 15235 1 20 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.653 -0.253 18978 15236 1 20 . 1 1 29 29 LYS C C 29 175.560 175.560 175.823 -0.263 18978 15237 1 20 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.028 0.632 18978 15238 1 20 . 1 1 29 29 LYS CB C 29 32.870 32.870 34.245 -1.375 18978 15239 1 20 . 1 1 29 29 LYS H H 29 8.350 8.350 7.863 0.487 18978 15240 1 20 . 1 1 30 30 THR N N 30 118.150 118.150 117.677 0.473 18978 15241 1 20 . 1 1 30 30 THR HA H 30 5.330 5.330 5.017 0.313 18978 15242 1 20 . 1 1 30 30 THR C C 30 174.860 174.860 174.279 0.581 18978 15243 1 20 . 1 1 30 30 THR CA C 30 62.040 62.040 61.692 0.348 18978 15244 1 20 . 1 1 30 30 THR CB C 30 69.420 69.420 69.813 -0.393 18978 15245 1 20 . 1 1 30 30 THR H H 30 8.410 8.410 8.337 0.073 18978 15246 1 20 . 1 1 31 31 VAL N N 31 122.510 122.510 121.431 1.079 18978 15247 1 20 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.572 -0.002 18978 15248 1 20 . 1 1 31 31 VAL C C 31 172.970 172.970 173.604 -0.634 18978 15249 1 20 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.757 -0.307 18978 15250 1 20 . 1 1 31 31 VAL CB C 31 35.880 35.880 33.958 1.922 18978 15251 1 20 . 1 1 31 31 VAL H H 31 9.140 9.140 8.895 0.245 18978 15252 1 20 . 1 1 32 32 ARG N N 32 120.640 120.640 125.630 -4.990 18978 15253 1 20 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.812 -0.062 18978 15254 1 20 . 1 1 32 32 ARG C C 32 175.650 175.650 175.184 0.466 18978 15255 1 20 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.005 -0.355 18978 15256 1 20 . 1 1 32 32 ARG CB C 32 33.870 33.870 33.916 -0.046 18978 15257 1 20 . 1 1 32 32 ARG H H 32 8.420 8.420 9.021 -0.601 18978 15258 1 20 . 1 1 33 33 THR N N 33 118.590 118.590 121.439 -2.849 18978 15259 1 20 . 1 1 33 33 THR HA H 33 3.410 3.410 3.812 -0.402 18978 15260 1 20 . 1 1 33 33 THR C C 33 175.020 175.020 175.468 -0.448 18978 15261 1 20 . 1 1 33 33 THR CA C 33 65.660 65.660 64.999 0.661 18978 15262 1 20 . 1 1 33 33 THR CB C 33 69.400 69.400 68.764 0.636 18978 15263 1 20 . 1 1 33 33 THR H H 33 8.370 8.370 8.634 -0.264 18978 15264 1 20 . 1 1 34 34 GLY N N 34 117.350 117.350 115.263 2.087 18978 15265 1 20 . 1 1 34 34 GLY C C 34 174.350 174.350 174.524 -0.174 18978 15266 1 20 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.854 0.146 18978 15267 1 20 . 1 1 34 34 GLY H H 34 9.090 9.090 8.538 0.552 18978 15268 1 20 . 1 1 35 35 ASP N N 35 122.240 122.240 123.494 -1.254 18978 15269 1 20 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.649 -0.179 18978 15270 1 20 . 1 1 35 35 ASP C C 35 174.570 174.570 175.153 -0.583 18978 15271 1 20 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.187 0.383 18978 15272 1 20 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.842 -0.162 18978 15273 1 20 . 1 1 35 35 ASP H H 35 8.010 8.010 7.798 0.211 18978 15274 1 20 . 1 1 36 36 VAL N N 36 119.860 119.860 121.392 -1.532 18978 15275 1 20 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.665 0.285 18978 15276 1 20 . 1 1 36 36 VAL C C 36 176.330 176.330 175.903 0.427 18978 15277 1 20 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.559 0.151 18978 15278 1 20 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.628 -0.728 18978 15279 1 20 . 1 1 36 36 VAL H H 36 8.330 8.330 8.399 -0.069 18978 15280 1 20 . 1 1 37 37 ILE N N 37 124.990 124.990 128.753 -3.763 18978 15281 1 20 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.533 0.097 18978 15282 1 20 . 1 1 37 37 ILE C C 37 174.400 174.400 174.964 -0.564 18978 15283 1 20 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.516 -1.526 18978 15284 1 20 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.339 0.471 18978 15285 1 20 . 1 1 37 37 ILE H H 37 9.160 9.160 8.716 0.444 18978 15286 1 20 . 1 1 38 38 GLY N N 38 112.060 112.060 112.873 -0.813 18978 15287 1 20 . 1 1 38 38 GLY C C 38 172.920 172.920 173.623 -0.703 18978 15288 1 20 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.317 0.263 18978 15289 1 20 . 1 1 38 38 GLY H H 38 8.660 8.660 8.469 0.191 18978 15290 1 20 . 1 1 39 39 ILE N N 39 123.220 123.220 124.918 -1.698 18978 15291 1 20 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.405 -0.035 18978 15292 1 20 . 1 1 39 39 ILE C C 39 174.500 174.500 175.199 -0.699 18978 15293 1 20 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.567 -1.017 18978 15294 1 20 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.670 -0.370 18978 15295 1 20 . 1 1 39 39 ILE H H 39 8.810 8.810 8.426 0.384 18978 15296 1 20 . 1 1 40 40 SER N N 40 121.430 121.430 121.837 -0.407 18978 15297 1 20 . 1 1 40 40 SER HA H 40 4.830 4.830 4.693 0.137 18978 15298 1 20 . 1 1 40 40 SER C C 40 174.130 174.130 173.807 0.323 18978 15299 1 20 . 1 1 40 40 SER CA C 40 57.770 57.770 58.073 -0.303 18978 15300 1 20 . 1 1 40 40 SER CB C 40 63.040 63.040 63.503 -0.463 18978 15301 1 20 . 1 1 40 40 SER H H 40 8.540 8.540 8.700 -0.160 18978 15302 1 20 . 1 1 41 41 ILE N N 41 127.060 127.060 128.295 -1.235 18978 15303 1 20 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.377 -0.087 18978 15304 1 20 . 1 1 41 41 ILE C C 41 175.280 175.280 175.622 -0.342 18978 15305 1 20 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.883 -0.633 18978 15306 1 20 . 1 1 41 41 ILE CB C 41 39.840 39.840 40.405 -0.565 18978 15307 1 20 . 1 1 41 41 ILE H H 41 8.930 8.930 8.539 0.391 18978 15308 1 20 . 1 1 42 42 LEU N N 42 126.770 126.770 129.607 -2.837 18978 15309 1 20 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.957 -0.067 18978 15310 1 20 . 1 1 42 42 LEU C C 42 177.130 177.130 177.092 0.038 18978 15311 1 20 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.679 -0.119 18978 15312 1 20 . 1 1 42 42 LEU CB C 42 39.370 39.370 41.274 -1.904 18978 15313 1 20 . 1 1 42 42 LEU H H 42 9.380 9.380 9.070 0.310 18978 15314 1 20 . 1 1 43 43 GLY N N 43 103.820 103.820 104.965 -1.145 18978 15315 1 20 . 1 1 43 43 GLY C C 43 173.690 173.690 173.764 -0.074 18978 15316 1 20 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.086 0.254 18978 15317 1 20 . 1 1 43 43 GLY H H 43 8.310 8.310 8.750 -0.440 18978 15318 1 20 . 1 1 44 44 LYS N N 44 121.160 121.160 122.771 -1.611 18978 15319 1 20 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.536 0.024 18978 15320 1 20 . 1 1 44 44 LYS C C 44 174.550 174.550 175.004 -0.454 18978 15321 1 20 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.409 -1.269 18978 15322 1 20 . 1 1 44 44 LYS CB C 44 34.620 34.620 33.940 0.680 18978 15323 1 20 . 1 1 44 44 LYS H H 44 7.730 7.730 7.592 0.138 18978 15324 1 20 . 1 1 45 45 GLU N N 45 124.090 124.090 127.553 -3.463 18978 15325 1 20 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.440 -0.160 18978 15326 1 20 . 1 1 45 45 GLU C C 45 175.730 175.730 175.584 0.146 18978 15327 1 20 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.154 0.577 18978 15328 1 20 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.445 -0.375 18978 15329 1 20 . 1 1 45 45 GLU H H 45 8.490 8.490 8.710 -0.220 18978 15330 1 20 . 1 1 46 46 VAL N N 46 129.960 129.960 127.439 2.521 18978 15331 1 20 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.379 -0.349 18978 15332 1 20 . 1 1 46 46 VAL C C 46 174.610 174.610 173.887 0.723 18978 15333 1 20 . 1 1 46 46 VAL CA C 46 61.680 61.680 59.834 1.846 18978 15334 1 20 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.802 -0.922 18978 15335 1 20 . 1 1 46 46 VAL H H 46 8.920 8.920 8.621 0.299 18978 15336 1 20 . 1 1 47 47 LYS N N 47 124.790 124.790 127.986 -3.196 18978 15337 1 20 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.835 0.285 18978 15338 1 20 . 1 1 47 47 LYS C C 47 175.380 175.380 175.440 -0.060 18978 15339 1 20 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.379 -0.179 18978 15340 1 20 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.800 0.870 18978 15341 1 20 . 1 1 47 47 LYS H H 47 7.860 7.860 8.426 -0.566 18978 15342 1 20 . 1 1 48 48 PHE N N 48 118.270 118.270 123.573 -5.303 18978 15343 1 20 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.069 -0.109 18978 15344 1 20 . 1 1 48 48 PHE C C 48 173.950 173.950 174.675 -0.725 18978 15345 1 20 . 1 1 48 48 PHE CA C 48 55.910 55.910 56.856 -0.946 18978 15346 1 20 . 1 1 48 48 PHE CB C 48 42.950 42.950 42.063 0.887 18978 15347 1 20 . 1 1 48 48 PHE H H 48 9.270 9.270 8.928 0.342 18978 15348 1 20 . 1 1 49 49 LYS N N 49 121.960 121.960 123.152 -1.192 18978 15349 1 20 . 1 1 49 49 LYS HA H 49 4.910 4.910 5.045 -0.135 18978 15350 1 20 . 1 1 49 49 LYS C C 49 176.230 176.230 175.603 0.627 18978 15351 1 20 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.530 -0.620 18978 15352 1 20 . 1 1 49 49 LYS CB C 49 35.170 35.170 36.219 -1.049 18978 15353 1 20 . 1 1 49 49 LYS H H 49 9.170 9.170 8.578 0.592 18978 15354 1 20 . 1 1 50 50 VAL N N 50 127.140 127.140 126.564 0.576 18978 15355 1 20 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.019 0.151 18978 15356 1 20 . 1 1 50 50 VAL C C 50 175.500 175.500 176.448 -0.948 18978 15357 1 20 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.451 -1.471 18978 15358 1 20 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.897 -1.407 18978 15359 1 20 . 1 1 50 50 VAL H H 50 9.400 9.400 8.192 1.208 18978 15360 1 20 . 1 1 51 51 VAL N N 51 132.840 132.840 129.000 3.840 18978 15361 1 20 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.839 -0.189 18978 15362 1 20 . 1 1 51 51 VAL C C 51 176.440 176.440 176.088 0.352 18978 15363 1 20 . 1 1 51 51 VAL CA C 51 64.930 64.930 64.917 0.013 18978 15364 1 20 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.237 -0.107 18978 15365 1 20 . 1 1 51 51 VAL H H 51 8.390 8.390 8.278 0.112 18978 15366 1 20 . 1 1 52 52 GLN N N 52 114.500 114.500 115.340 -0.840 18978 15367 1 20 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.504 -0.234 18978 15368 1 20 . 1 1 52 52 GLN C C 52 172.290 172.290 173.474 -1.184 18978 15369 1 20 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.227 1.413 18978 15370 1 20 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.633 -0.003 18978 15371 1 20 . 1 1 52 52 GLN H H 52 7.470 7.470 7.480 -0.010 18978 15372 1 20 . 1 1 53 53 ALA N N 53 131.410 131.410 127.452 3.958 18978 15373 1 20 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.916 -0.086 18978 15374 1 20 . 1 1 53 53 ALA C C 53 174.270 174.270 174.973 -0.703 18978 15375 1 20 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.521 0.279 18978 15376 1 20 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.286 -2.186 18978 15377 1 20 . 1 1 53 53 ALA H H 53 8.200 8.200 8.438 -0.238 18978 15378 1 20 . 1 1 54 54 TYR N N 54 124.140 124.140 123.552 0.588 18978 15379 1 20 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.991 -0.451 18978 15380 1 20 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.515 -1.245 18978 15381 1 20 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.051 -0.691 18978 15382 1 20 . 1 1 54 54 TYR H H 54 8.860 8.860 8.458 0.402 18978 15383 1 20 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.331 -0.211 18978 15384 1 20 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.361 1.089 18978 15385 1 20 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.835 1.335 18978 15386 1 20 . 1 1 56 56 SER N N 56 106.200 106.200 114.908 -8.708 18978 15387 1 20 . 1 1 56 56 SER HA H 56 4.720 4.720 4.755 -0.035 18978 15388 1 20 . 1 1 56 56 SER CA C 56 54.250 54.250 55.785 -1.534 18978 15389 1 20 . 1 1 56 56 SER CB C 56 64.530 64.530 64.541 -0.011 18978 15390 1 20 . 1 1 56 56 SER H H 56 7.380 7.380 8.128 -0.748 18978 15391 1 20 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.463 0.417 18978 15392 1 20 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.361 0.629 18978 15393 1 20 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.648 2.572 18978 15394 1 20 . 1 1 58 58 LEU N N 58 120.480 120.480 122.993 -2.513 18978 15395 1 20 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.650 -0.220 18978 15396 1 20 . 1 1 58 58 LEU C C 58 174.570 174.570 175.296 -0.726 18978 15397 1 20 . 1 1 58 58 LEU CA C 58 53.900 53.900 53.566 0.334 18978 15398 1 20 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.532 -1.322 18978 15399 1 20 . 1 1 58 58 LEU H H 58 8.960 8.960 8.419 0.541 18978 15400 1 20 . 1 1 59 59 ARG N N 59 125.180 125.180 125.530 -0.350 18978 15401 1 20 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.413 0.517 18978 15402 1 20 . 1 1 59 59 ARG C C 59 175.460 175.460 175.364 0.096 18978 15403 1 20 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.385 -1.345 18978 15404 1 20 . 1 1 59 59 ARG CB C 59 30.550 30.550 30.815 -0.265 18978 15405 1 20 . 1 1 59 59 ARG H H 59 8.130 8.130 8.570 -0.440 18978 15406 1 20 . 1 1 60 60 VAL N N 60 128.170 128.170 128.451 -0.281 18978 15407 1 20 . 1 1 60 60 VAL HA H 60 3.410 3.410 3.946 -0.536 18978 15408 1 20 . 1 1 60 60 VAL C C 60 175.460 175.460 174.918 0.542 18978 15409 1 20 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.661 1.549 18978 15410 1 20 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.711 -1.871 18978 15411 1 20 . 1 1 60 60 VAL H H 60 8.450 8.450 8.167 0.283 18978 15412 1 20 . 1 1 61 61 GLU N N 61 127.670 127.670 127.529 0.141 18978 15413 1 20 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.614 0.256 18978 15414 1 20 . 1 1 61 61 GLU C C 61 176.960 176.960 176.471 0.489 18978 15415 1 20 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.705 -0.375 18978 15416 1 20 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.474 -0.194 18978 15417 1 20 . 1 1 61 61 GLU H H 61 8.620 8.620 7.701 0.919 18978 15418 1 20 . 1 1 62 62 ASP N N 62 121.140 121.140 122.396 -1.256 18978 15419 1 20 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.281 -0.131 18978 15420 1 20 . 1 1 62 62 ASP C C 62 177.460 177.460 177.282 0.178 18978 15421 1 20 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.209 0.411 18978 15422 1 20 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.494 -0.134 18978 15423 1 20 . 1 1 62 62 ASP H H 62 8.700 8.700 8.815 -0.115 18978 15424 1 20 . 1 1 63 63 ARG N N 63 112.890 112.890 118.669 -5.779 18978 15425 1 20 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.256 0.024 18978 15426 1 20 . 1 1 63 63 ARG C C 63 176.510 176.510 176.682 -0.172 18978 15427 1 20 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.557 -1.107 18978 15428 1 20 . 1 1 63 63 ARG CB C 63 29.990 29.990 29.908 0.082 18978 15429 1 20 . 1 1 63 63 ARG H H 63 7.760 7.760 8.390 -0.630 18978 15430 1 20 . 1 1 64 64 THR N N 64 120.650 120.650 116.706 3.944 18978 15431 1 20 . 1 1 64 64 THR HA H 64 4.020 4.020 4.280 -0.260 18978 15432 1 20 . 1 1 64 64 THR C C 64 173.810 173.810 174.446 -0.636 18978 15433 1 20 . 1 1 64 64 THR CA C 64 64.060 64.060 63.934 0.126 18978 15434 1 20 . 1 1 64 64 THR CB C 64 69.350 69.350 69.390 -0.040 18978 15435 1 20 . 1 1 64 64 THR H H 64 7.700 7.700 7.604 0.096 18978 15436 1 20 . 1 1 65 65 LYS N N 65 130.950 130.950 127.226 3.724 18978 15437 1 20 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.524 -0.254 18978 15438 1 20 . 1 1 65 65 LYS C C 65 174.560 174.560 175.570 -1.010 18978 15439 1 20 . 1 1 65 65 LYS CA C 65 56.280 56.280 55.818 0.462 18978 15440 1 20 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.480 -0.360 18978 15441 1 20 . 1 1 65 65 LYS H H 65 8.520 8.520 8.287 0.233 18978 15442 1 20 . 1 1 66 66 ILE N N 66 128.020 128.020 124.442 3.578 18978 15443 1 20 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.788 0.062 18978 15444 1 20 . 1 1 66 66 ILE C C 66 174.650 174.650 175.952 -1.302 18978 15445 1 20 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.308 -0.488 18978 15446 1 20 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.362 -2.082 18978 15447 1 20 . 1 1 66 66 ILE H H 66 8.430 8.430 8.499 -0.069 18978 15448 1 20 . 1 1 67 67 THR N N 67 123.870 123.870 122.909 0.961 18978 15449 1 20 . 1 1 67 67 THR HA H 67 4.470 4.470 4.743 -0.273 18978 15450 1 20 . 1 1 67 67 THR C C 67 172.760 172.760 172.802 -0.042 18978 15451 1 20 . 1 1 67 67 THR CA C 67 60.740 60.740 61.381 -0.641 18978 15452 1 20 . 1 1 67 67 THR CB C 67 71.320 71.320 70.936 0.384 18978 15453 1 20 . 1 1 67 67 THR H H 67 8.870 8.870 8.537 0.333 18978 15454 1 20 . 1 1 68 68 LEU N N 68 127.070 127.070 126.705 0.365 18978 15455 1 20 . 1 1 68 68 LEU HA H 68 5.140 5.140 5.025 0.115 18978 15456 1 20 . 1 1 68 68 LEU C C 68 176.610 176.610 176.913 -0.303 18978 15457 1 20 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.211 -0.931 18978 15458 1 20 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.546 -0.946 18978 15459 1 20 . 1 1 68 68 LEU H H 68 8.820 8.820 8.692 0.128 18978 15460 1 20 . 1 1 69 69 VAL N N 69 124.120 124.120 126.217 -2.097 18978 15461 1 20 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.227 0.033 18978 15462 1 20 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.403 -1.053 18978 15463 1 20 . 1 1 69 69 VAL CB C 69 32.790 32.790 31.697 1.093 18978 15464 1 20 . 1 1 69 69 VAL H H 69 8.800 8.800 8.481 0.319 18978 15465 1 20 . 1 1 70 70 THR N N 70 114.500 114.500 121.372 -6.872 18978 15466 1 20 . 1 1 70 70 THR HA H 70 4.410 4.410 4.472 -0.062 18978 15467 1 20 . 1 1 70 70 THR CA C 70 60.800 60.800 62.524 -1.724 18978 15468 1 20 . 1 1 70 70 THR CB C 70 69.650 69.650 70.462 -0.812 18978 15469 1 20 . 1 1 70 70 THR H H 70 8.160 8.160 8.656 -0.496 18978 15470 1 20 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.485 -0.555 18978 15471 1 20 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.856 0.664 18978 15472 1 20 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.196 1.944 18978 15473 1 20 . 1 1 73 73 VAL N N 73 117.500 117.500 116.216 1.284 18978 15474 1 20 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.415 0.105 18978 15475 1 20 . 1 1 73 73 VAL C C 73 174.100 174.100 174.400 -0.300 18978 15476 1 20 . 1 1 73 73 VAL CA C 73 60.010 60.010 59.271 0.739 18978 15477 1 20 . 1 1 73 73 VAL CB C 73 33.330 33.330 34.303 -0.973 18978 15478 1 20 . 1 1 73 73 VAL H H 73 7.410 7.410 7.352 0.058 18978 15479 1 20 . 1 1 74 74 ASP N N 74 124.500 124.500 121.532 2.968 18978 15480 1 20 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.835 0.075 18978 15481 1 20 . 1 1 74 74 ASP C C 74 174.000 174.000 175.431 -1.431 18978 15482 1 20 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.752 -0.302 18978 15483 1 20 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.217 2.133 18978 15484 1 20 . 1 1 74 74 ASP H H 74 8.290 8.290 8.383 -0.093 18978 15485 1 20 . 1 1 75 75 VAL N N 75 122.400 122.400 125.009 -2.609 18978 15486 1 20 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.312 0.378 18978 15487 1 20 . 1 1 75 75 VAL C C 75 174.600 174.600 175.270 -0.670 18978 15488 1 20 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.718 -0.518 18978 15489 1 20 . 1 1 75 75 VAL CB C 75 33.330 33.330 33.204 0.126 18978 15490 1 20 . 1 1 75 75 VAL H H 75 7.780 7.780 8.378 -0.598 18978 15491 1 20 . 1 1 76 76 LEU N N 76 130.300 130.300 128.141 2.159 18978 15492 1 20 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.646 0.074 18978 15493 1 20 . 1 1 76 76 LEU C C 76 174.400 174.400 176.281 -1.881 18978 15494 1 20 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.339 -0.709 18978 15495 1 20 . 1 1 76 76 LEU CB C 76 44.960 44.960 44.194 0.766 18978 15496 1 20 . 1 1 76 76 LEU H H 76 9.200 9.200 8.426 0.774 18978 15497 1 20 . 1 1 77 77 GLU N N 77 118.600 118.600 121.862 -3.262 18978 15498 1 20 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.543 0.777 18978 15499 1 20 . 1 1 77 77 GLU C C 77 174.900 174.900 175.033 -0.133 18978 15500 1 20 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.803 -1.713 18978 15501 1 20 . 1 1 77 77 GLU CB C 77 34.200 34.200 32.080 2.120 18978 15502 1 20 . 1 1 77 77 GLU H H 77 8.010 8.010 8.515 -0.505 18978 15503 1 20 . 1 1 78 78 ALA N N 78 124.500 124.500 124.639 -0.139 18978 15504 1 20 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.553 0.087 18978 15505 1 20 . 1 1 78 78 ALA C C 78 175.500 175.500 176.785 -1.285 18978 15506 1 20 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.566 -0.886 18978 15507 1 20 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.438 0.372 18978 15508 1 20 . 1 1 78 78 ALA H H 78 8.800 8.800 8.224 0.576 18978 15509 1 20 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.457 0.023 18978 15510 1 20 . 1 1 79 79 LYS C C 79 174.700 174.700 175.577 -0.877 18978 15511 1 20 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.155 -0.055 18978 15512 1 20 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.879 -1.939 18978 15513 1 20 . 1 1 80 80 ILE N N 80 127.300 127.300 123.762 3.538 18978 15514 1 20 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.253 -0.173 18978 15515 1 20 . 1 1 80 80 ILE C C 80 172.700 172.700 174.922 -2.222 18978 15516 1 20 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.183 -0.243 18978 15517 1 20 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.885 2.045 18978 15518 1 20 . 1 1 80 80 ILE H H 80 7.380 7.380 8.510 -1.130 18978 15519 1 20 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.432 -0.152 18978 15520 1 20 . 1 1 81 81 LYS CA C 81 56.120 56.120 56.201 -0.081 18978 15521 1 20 . 1 1 81 81 LYS CB C 81 32.750 32.750 32.996 -0.246 18978 15522 1 20 . 1 1 82 82 GLY N N 82 113.000 113.000 113.832 -0.832 18978 15523 1 20 . 1 1 82 82 GLY C C 82 174.600 174.600 174.177 0.423 18978 15524 1 20 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.604 2.266 18978 15525 1 20 . 1 1 82 82 GLY H H 82 8.210 8.210 8.699 -0.489 18978 15526 1 20 . 1 1 83 83 ILE N N 83 121.200 121.200 119.130 2.070 18978 15527 1 20 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.841 -0.501 18978 15528 1 20 . 1 1 83 83 ILE C C 83 175.000 175.000 176.393 -1.393 18978 15529 1 20 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.296 2.414 18978 15530 1 20 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.938 -0.448 18978 15531 1 20 . 1 1 83 83 ILE H H 83 8.350 8.350 8.146 0.204 18978 15532 1 20 . 1 1 84 84 LYS N N 84 129.400 129.400 128.404 0.996 18978 15533 1 20 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.358 0.132 18978 15534 1 20 . 1 1 84 84 LYS C C 84 175.000 175.000 176.283 -1.283 18978 15535 1 20 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.081 -1.012 18978 15536 1 20 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.101 0.389 18978 15537 1 20 . 1 1 84 84 LYS H H 84 9.160 9.160 8.650 0.510 18978 15538 1 20 . 1 1 85 85 ASP N N 85 117.500 117.500 117.081 0.419 18978 15539 1 20 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.883 -0.103 18978 15540 1 20 . 1 1 85 85 ASP C C 85 173.200 173.200 173.730 -0.530 18978 15541 1 20 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.948 -0.858 18978 15542 1 20 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.290 -0.800 18978 15543 1 20 . 1 1 85 85 ASP H H 85 7.990 7.990 7.909 0.081 18978 15544 1 20 . 1 1 86 86 VAL N N 86 119.400 119.400 121.629 -2.229 18978 15545 1 20 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.594 0.576 18978 15546 1 20 . 1 1 86 86 VAL C C 86 172.500 172.500 175.107 -2.607 18978 15547 1 20 . 1 1 86 86 VAL CA C 86 59.750 59.750 60.993 -1.243 18978 15548 1 20 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.032 1.128 18978 15549 1 20 . 1 1 86 86 VAL H H 86 8.210 8.210 8.449 -0.239 18978 15550 1 20 . 1 1 87 87 ILE N N 87 127.100 127.100 128.162 -1.062 18978 15551 1 20 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.455 -0.245 18978 15552 1 20 . 1 1 87 87 ILE C C 87 173.600 173.600 174.453 -0.853 18978 15553 1 20 . 1 1 87 87 ILE CA C 87 60.470 60.470 60.347 0.123 18978 15554 1 20 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.087 1.403 18978 15555 1 20 . 1 1 87 87 ILE H H 87 9.190 9.190 8.791 0.399 18978 15556 1 20 . 1 1 88 88 LEU N N 88 125.700 125.700 127.663 -1.963 18978 15557 1 20 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.835 0.205 18978 15558 1 20 . 1 1 88 88 LEU C C 88 174.500 174.500 175.765 -1.265 18978 15559 1 20 . 1 1 88 88 LEU CA C 88 52.940 52.940 53.875 -0.935 18978 15560 1 20 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.394 -0.884 18978 15561 1 20 . 1 1 88 88 LEU H H 88 7.840 7.840 8.479 -0.639 18978 15562 1 20 . 1 1 89 89 ASP N N 89 127.800 127.800 122.997 4.803 18978 15563 1 20 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.850 -0.080 18978 15564 1 20 . 1 1 89 89 ASP C C 89 174.100 174.100 175.810 -1.710 18978 15565 1 20 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.777 -0.157 18978 15566 1 20 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.388 -0.318 18978 15567 1 20 . 1 1 89 89 ASP H H 89 8.280 8.280 8.734 -0.454 18978 15568 1 20 . 1 1 90 90 GLU N N 90 122.400 122.400 122.648 -0.248 18978 15569 1 20 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.068 -0.218 18978 15570 1 20 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.050 -0.219 18978 15571 1 20 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.873 -0.463 18978 15572 1 20 . 1 1 90 90 GLU H H 90 8.980 8.980 8.656 0.324 18978 15573 1 20 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.841 -0.561 18978 15574 1 20 . 1 1 91 91 ASN C C 91 173.600 173.600 174.021 -0.421 18978 15575 1 20 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.189 1.971 18978 15576 1 20 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.770 0.130 18978 15577 1 20 . 1 1 92 92 LEU N N 92 117.400 117.400 120.770 -3.370 18978 15578 1 20 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.689 0.341 18978 15579 1 20 . 1 1 92 92 LEU C C 92 174.700 174.700 173.718 0.982 18978 15580 1 20 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.836 -2.135 18978 15581 1 20 . 1 1 92 92 LEU CB C 92 47.250 47.250 45.901 1.349 18978 15582 1 20 . 1 1 92 92 LEU H H 92 7.110 7.110 7.782 -0.672 18978 15583 1 20 . 1 1 93 93 ILE N N 93 121.300 121.300 124.167 -2.867 18978 15584 1 20 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.564 -0.114 18978 15585 1 20 . 1 1 93 93 ILE C C 93 174.000 174.000 174.316 -0.316 18978 15586 1 20 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.780 0.190 18978 15587 1 20 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.668 -0.038 18978 15588 1 20 . 1 1 93 93 ILE H H 93 8.450 8.450 8.503 -0.053 18978 15589 1 20 . 1 1 94 94 VAL N N 94 128.000 128.000 127.886 0.114 18978 15590 1 20 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.917 -0.077 18978 15591 1 20 . 1 1 94 94 VAL C C 94 174.000 174.000 174.602 -0.602 18978 15592 1 20 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.908 0.192 18978 15593 1 20 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.295 -2.175 18978 15594 1 20 . 1 1 94 94 VAL H H 94 8.970 8.970 8.568 0.402 18978 15595 1 20 . 1 1 95 95 VAL N N 95 127.700 127.700 127.278 0.422 18978 15596 1 20 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.598 0.072 18978 15597 1 20 . 1 1 95 95 VAL C C 95 173.300 173.300 174.590 -1.290 18978 15598 1 20 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.159 -0.319 18978 15599 1 20 . 1 1 95 95 VAL CB C 95 34.240 34.240 35.075 -0.835 18978 15600 1 20 . 1 1 95 95 VAL H H 95 9.420 9.420 8.675 0.745 18978 15601 1 20 . 1 1 96 96 ILE N N 96 126.000 126.000 127.314 -1.314 18978 15602 1 20 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.970 0.250 18978 15603 1 20 . 1 1 96 96 ILE C C 96 177.100 177.100 175.437 1.663 18978 15604 1 20 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.636 -0.066 18978 15605 1 20 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.601 0.149 18978 15606 1 20 . 1 1 96 96 ILE H H 96 8.460 8.460 8.803 -0.343 18978 15607 1 20 . 1 1 97 97 THR N N 97 118.100 118.100 118.011 0.089 18978 15608 1 20 . 1 1 97 97 THR HA H 97 5.250 5.250 4.807 0.443 18978 15609 1 20 . 1 1 97 97 THR C C 97 176.300 176.300 175.509 0.791 18978 15610 1 20 . 1 1 97 97 THR CA C 97 59.650 59.650 59.614 0.036 18978 15611 1 20 . 1 1 97 97 THR CB C 97 71.890 71.890 71.104 0.786 18978 15612 1 20 . 1 1 97 97 THR H H 97 9.050 9.050 8.513 0.537 18978 15613 1 20 . 1 1 98 98 GLU N N 98 120.100 120.100 123.371 -3.271 18978 15614 1 20 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.932 0.188 18978 15615 1 20 . 1 1 98 98 GLU C C 98 176.200 176.200 177.470 -1.270 18978 15616 1 20 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.755 -1.865 18978 15617 1 20 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.735 -0.205 18978 15618 1 20 . 1 1 98 98 GLU H H 98 9.220 9.220 8.192 1.028 18978 15619 1 20 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.328 -0.178 18978 15620 1 20 . 1 1 99 99 GLU C C 99 174.200 174.200 175.756 -1.556 18978 15621 1 20 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.122 2.088 18978 15622 1 20 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.881 0.989 18978 15623 1 20 . 1 1 100 100 ASN N N 100 113.200 113.200 114.645 -1.445 18978 15624 1 20 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.422 -0.312 18978 15625 1 20 . 1 1 100 100 ASN C C 100 173.700 173.700 173.471 0.229 18978 15626 1 20 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.483 -0.083 18978 15627 1 20 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.329 -0.469 18978 15628 1 20 . 1 1 100 100 ASN H H 100 8.020 8.020 8.071 -0.051 18978 15629 1 20 . 1 1 101 101 GLU N N 101 115.500 115.500 118.224 -2.724 18978 15630 1 20 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.815 0.335 18978 15631 1 20 . 1 1 101 101 GLU C C 101 174.900 174.900 174.406 0.494 18978 15632 1 20 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.193 -0.143 18978 15633 1 20 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.294 -1.894 18978 15634 1 20 . 1 1 101 101 GLU H H 101 7.230 7.230 7.316 -0.086 18978 15635 1 20 . 1 1 102 102 VAL N N 102 122.700 122.700 124.369 -1.669 18978 15636 1 20 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.515 0.405 18978 15637 1 20 . 1 1 102 102 VAL C C 102 173.700 173.700 174.473 -0.773 18978 15638 1 20 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.463 -0.543 18978 15639 1 20 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.618 0.192 18978 15640 1 20 . 1 1 102 102 VAL H H 102 8.710 8.710 8.831 -0.121 18978 15641 1 20 . 1 1 103 103 LEU N N 103 127.300 127.300 127.774 -0.474 18978 15642 1 20 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.955 -0.655 18978 15643 1 20 . 1 1 103 103 LEU C C 103 174.500 174.500 175.377 -0.877 18978 15644 1 20 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.714 0.106 18978 15645 1 20 . 1 1 103 103 LEU H H 103 9.140 9.140 8.497 0.643 18978 15646 1 20 . 1 1 104 104 ILE N N 104 122.200 122.200 121.356 0.844 18978 15647 1 20 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.742 -0.002 18978 15648 1 20 . 1 1 104 104 ILE C C 104 173.600 173.600 174.496 -0.896 18978 15649 1 20 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.381 -0.161 18978 15650 1 20 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.890 -0.740 18978 15651 1 20 . 1 1 104 104 ILE H H 104 8.470 8.470 8.222 0.248 18978 15652 1 20 . 1 1 105 105 PHE N N 105 126.600 126.600 124.996 1.604 18978 15653 1 20 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.732 -0.162 18978 15654 1 20 . 1 1 105 105 PHE C C 105 175.800 175.800 175.242 0.558 18978 15655 1 20 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.764 -0.314 18978 15656 1 20 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.648 1.022 18978 15657 1 20 . 1 1 105 105 PHE H H 105 9.330 9.330 9.177 0.153 18978 15658 1 20 . 1 1 106 106 ASN N N 106 116.000 116.000 118.334 -2.334 18978 15659 1 20 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.042 0.428 18978 15660 1 20 . 1 1 106 106 ASN C C 106 176.700 176.700 176.881 -0.181 18978 15661 1 20 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.079 -0.579 18978 15662 1 20 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.642 -1.042 18978 15663 1 20 . 1 1 106 106 ASN H H 106 7.710 7.710 8.335 -0.625 18978 15664 1 20 . 1 1 107 107 GLN N N 107 114.500 114.500 119.291 -4.791 18978 15665 1 20 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.088 -0.198 18978 15666 1 20 . 1 1 107 107 GLN C C 107 173.700 173.700 176.818 -3.118 18978 15667 1 20 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.532 -1.022 18978 15668 1 20 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.637 -1.547 18978 15669 1 20 . 1 1 107 107 GLN H H 107 8.040 8.040 8.742 -0.702 18978 15670 1 20 . 1 1 108 108 ASN N N 108 115.800 115.800 116.040 -0.240 18978 15671 1 20 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.653 0.017 18978 15672 1 20 . 1 1 108 108 ASN C C 108 173.600 173.600 175.094 -1.494 18978 15673 1 20 . 1 1 108 108 ASN CA C 108 52.090 52.090 53.005 -0.915 18978 15674 1 20 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.510 0.350 18978 15675 1 20 . 1 1 108 108 ASN H H 108 7.440 7.440 8.219 -0.779 18978 15676 1 20 . 1 1 109 109 LEU N N 109 115.200 115.200 119.380 -4.180 18978 15677 1 20 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.900 -0.370 18978 15678 1 20 . 1 1 109 109 LEU C C 109 174.700 174.700 175.205 -0.505 18978 15679 1 20 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.055 -0.285 18978 15680 1 20 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.956 -1.256 18978 15681 1 20 . 1 1 109 109 LEU H H 109 8.220 8.220 7.644 0.576 18978 15682 1 20 . 1 1 110 110 GLU N N 110 117.600 117.600 118.680 -1.080 18978 15683 1 20 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.726 -0.306 18978 15684 1 20 . 1 1 110 110 GLU C C 110 175.800 175.800 175.477 0.323 18978 15685 1 20 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.525 0.655 18978 15686 1 20 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.816 -2.996 18978 15687 1 20 . 1 1 110 110 GLU H H 110 7.550 7.550 8.156 -0.606 18978 15688 1 20 . 1 1 111 111 GLU N N 111 125.900 125.900 123.072 2.828 18978 15689 1 20 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.118 -0.288 18978 15690 1 20 . 1 1 111 111 GLU C C 111 175.400 175.400 176.059 -0.659 18978 15691 1 20 . 1 1 111 111 GLU CA C 111 56.640 56.640 56.951 -0.311 18978 15692 1 20 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.420 1.200 18978 15693 1 20 . 1 1 111 111 GLU H H 111 8.350 8.350 8.917 -0.567 18978 15694 1 20 . 1 1 112 112 LEU N N 112 128.000 128.000 128.249 -0.249 18978 15695 1 20 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.470 -0.200 18978 15696 1 20 . 1 1 112 112 LEU C C 112 176.100 176.100 176.441 -0.341 18978 15697 1 20 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.471 -0.441 18978 15698 1 20 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.108 -1.338 18978 15699 1 20 . 1 1 112 112 LEU H H 112 9.110 9.110 8.244 0.866 18978 15700 1 20 . 1 1 113 113 TYR N N 113 116.300 116.300 119.154 -2.854 18978 15701 1 20 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.644 -0.314 18978 15702 1 20 . 1 1 113 113 TYR C C 113 171.700 171.700 172.980 -1.280 18978 15703 1 20 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.246 0.714 18978 15704 1 20 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.327 -0.607 18978 15705 1 20 . 1 1 113 113 TYR H H 113 7.250 7.250 7.429 -0.179 18978 15706 1 20 . 1 1 114 114 ARG N N 114 126.200 126.200 126.524 -0.324 18978 15707 1 20 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.920 0.100 18978 15708 1 20 . 1 1 114 114 ARG C C 114 173.500 173.500 174.257 -0.757 18978 15709 1 20 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.743 -0.123 18978 15710 1 20 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.663 0.787 18978 15711 1 20 . 1 1 114 114 ARG H H 114 6.560 6.560 7.921 -1.361 18978 15712 1 20 . 1 1 115 115 GLY N N 115 111.300 111.300 112.773 -1.473 18978 15713 1 20 . 1 1 115 115 GLY C C 115 178.100 178.100 171.229 6.871 18978 15714 1 20 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.539 -0.129 18978 15715 1 20 . 1 1 115 115 GLY H H 115 8.320 8.320 8.324 -0.004 18978 15716 1 20 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.543 0.227 18978 15717 1 20 . 1 1 116 116 LYS C C 116 174.400 174.400 174.518 -0.118 18978 15718 1 20 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.175 0.015 18978 15719 1 20 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.119 -0.779 18978 15720 1 20 . 1 1 117 117 PHE N N 117 125.800 125.800 124.387 1.413 18978 15721 1 20 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.852 -0.302 18978 15722 1 20 . 1 1 117 117 PHE C C 117 174.000 174.000 176.488 -2.488 18978 15723 1 20 . 1 1 117 117 PHE CA C 117 56.850 56.850 57.108 -0.258 18978 15724 1 20 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.922 0.237 18978 15725 1 20 . 1 1 117 117 PHE H H 117 8.090 8.090 8.674 -0.584 18978 15726 1 20 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.806 -0.146 18978 15727 1 20 . 1 1 119 119 ASN C C 119 173.500 173.500 174.462 -0.962 18978 15728 1 20 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.734 -0.254 18978 15729 1 20 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.590 -0.400 18978 15730 1 20 . 1 1 120 120 LEU N N 120 120.200 120.200 122.742 -2.542 18978 15731 1 20 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.042 -0.212 18978 15732 1 20 . 1 1 120 120 LEU C C 120 175.000 175.000 175.615 -0.615 18978 15733 1 20 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.318 -0.048 18978 15734 1 20 . 1 1 120 120 LEU CB C 120 42.770 42.770 41.809 0.961 18978 15735 1 20 . 1 1 120 120 LEU H H 120 6.900 6.900 7.660 -0.760 18978 15736 1 20 . 1 1 121 121 ASN N N 121 124.200 124.200 124.715 -0.515 18978 15737 1 20 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.789 0.101 18978 15738 1 20 . 1 1 121 121 ASN C C 121 174.300 174.300 175.318 -1.018 18978 15739 1 20 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.076 -0.196 18978 15740 1 20 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.960 -0.520 18978 15741 1 20 . 1 1 121 121 ASN H H 121 8.900 8.900 8.376 0.524 18978 15742 1 20 . 1 1 122 122 LYS N N 122 115.100 115.100 119.580 -4.480 18978 15743 1 20 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.616 -0.146 18978 15744 1 20 . 1 1 122 122 LYS C C 122 172.500 172.500 174.122 -1.622 18978 15745 1 20 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.472 0.228 18978 15746 1 20 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.639 -0.980 18978 15747 1 20 . 1 1 122 122 LYS H H 122 7.410 7.410 7.777 -0.367 18978 15748 1 20 . 1 1 123 123 VAL N N 123 121.500 121.500 121.806 -0.306 18978 15749 1 20 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.429 0.391 18978 15750 1 20 . 1 1 123 123 VAL C C 123 173.400 173.400 175.280 -1.880 18978 15751 1 20 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.308 -0.618 18978 15752 1 20 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.330 0.820 18978 15753 1 20 . 1 1 123 123 VAL H H 123 7.730 7.730 8.378 -0.648 18978 15754 1 20 . 1 1 124 124 LEU N N 124 126.600 126.600 129.547 -2.947 18978 15755 1 20 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.817 -0.097 18978 15756 1 20 . 1 1 124 124 LEU C C 124 174.200 174.200 175.109 -0.909 18978 15757 1 20 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.037 -0.657 18978 15758 1 20 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.962 0.148 18978 15759 1 20 . 1 1 124 124 LEU H H 124 9.060 9.060 8.507 0.553 18978 15760 1 20 . 1 1 125 125 VAL N N 125 120.300 120.300 117.906 2.394 18978 15761 1 20 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.720 -0.050 18978 15762 1 20 . 1 1 125 125 VAL C C 125 174.700 174.700 174.984 -0.284 18978 15763 1 20 . 1 1 125 125 VAL CA C 125 60.290 60.290 59.934 0.356 18978 15764 1 20 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.473 -0.223 18978 15765 1 20 . 1 1 125 125 VAL H H 125 8.030 8.030 8.341 -0.311 18978 15766 1 20 . 1 1 126 126 ARG N N 126 127.100 127.100 124.684 2.416 18978 15767 1 20 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.672 -0.202 18978 15768 1 20 . 1 1 126 126 ARG C C 126 174.400 174.400 175.552 -1.152 18978 15769 1 20 . 1 1 126 126 ARG CA C 126 55.830 55.830 55.423 0.407 18978 15770 1 20 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.813 -1.513 18978 15771 1 20 . 1 1 126 126 ARG H H 126 8.630 8.630 8.359 0.271 18978 15772 1 20 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.289 0.001 18978 15773 1 20 . 1 1 127 127 ASN C C 127 172.600 172.600 174.617 -2.017 18978 15774 1 20 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.809 0.251 18978 15775 1 20 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.967 -1.017 18978 15776 1 20 . 1 1 128 128 ASP N N 128 117.600 117.600 119.719 -2.119 18978 15777 1 20 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.629 -0.179 18978 15778 1 20 . 1 1 128 128 ASP C C 128 174.000 174.000 175.129 -1.129 18978 15779 1 20 . 1 1 128 128 ASP CA C 128 53.520 53.520 53.622 -0.102 18978 15780 1 20 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.290 -1.480 18978 15781 1 20 . 1 1 128 128 ASP H H 128 8.560 8.560 8.429 0.131 18978 15782 1 20 . 1 1 129 129 LEU N N 129 121.500 121.500 121.937 -0.437 18978 15783 1 20 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.639 0.431 18978 15784 1 20 . 1 1 129 129 LEU C C 129 174.800 174.800 174.409 0.391 18978 15785 1 20 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.335 -0.535 18978 15786 1 20 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.934 0.186 18978 15787 1 20 . 1 1 129 129 LEU H H 129 7.730 7.730 7.863 -0.133 18978 15788 1 20 . 1 1 130 130 VAL N N 130 120.600 120.600 124.983 -4.383 18978 15789 1 20 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.455 0.255 18978 15790 1 20 . 1 1 130 130 VAL C C 130 173.500 173.500 174.257 -0.757 18978 15791 1 20 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.879 -0.359 18978 15792 1 20 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.266 -0.516 18978 15793 1 20 . 1 1 130 130 VAL H H 130 8.410 8.410 8.066 0.344 18978 15794 1 20 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.748 -0.148 18978 15795 1 20 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.795 -0.205 18978 15796 1 20 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.485 -1.625 18978 15797 1 20 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.406 -0.106 18978 15798 1 20 . 1 1 132 132 ILE C C 132 174.900 174.900 174.335 0.565 18978 15799 1 20 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.273 0.207 18978 15800 1 20 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.706 -0.656 18978 15801 1 20 . 1 1 133 133 ILE N N 133 126.200 126.200 127.017 -0.817 18978 15802 1 20 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.492 0.178 18978 15803 1 20 . 1 1 133 133 ILE C C 133 174.200 174.200 174.138 0.062 18978 15804 1 20 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.541 1.389 18978 15805 1 20 . 1 1 133 133 ILE CB C 133 39.120 39.120 38.154 0.966 18978 15806 1 20 . 1 1 133 133 ILE H H 133 8.490 8.490 8.455 0.035 18978 15807 1 20 . 1 1 134 134 ASP N N 134 130.100 130.100 125.344 4.756 18978 15808 1 20 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.176 -0.226 18978 15809 1 20 . 1 1 134 134 ASP C C 134 174.600 174.600 176.710 -2.110 18978 15810 1 20 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.043 0.347 18978 15811 1 20 . 1 1 134 134 ASP CB C 134 43.370 43.370 44.058 -0.688 18978 15812 1 20 . 1 1 134 134 ASP H H 134 8.360 8.360 8.295 0.065 18978 15813 1 20 . 1 1 135 135 GLU N N 135 118.000 118.000 120.927 -2.927 18978 15814 1 20 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.932 0.278 18978 15815 1 20 . 1 1 135 135 GLU C C 135 176.200 176.200 177.410 -1.210 18978 15816 1 20 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.243 -0.493 18978 15817 1 20 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.697 0.593 18978 15818 1 20 . 1 1 135 135 GLU H H 135 7.840 7.840 8.534 -0.694 18978 15819 1 20 . 1 1 136 136 GLN N N 136 115.200 115.200 115.223 -0.023 18978 15820 1 20 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.344 0.526 18978 15821 1 20 . 1 1 136 136 GLN C C 136 174.900 174.900 175.549 -0.649 18978 15822 1 20 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.249 -0.749 18978 15823 1 20 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.344 0.586 18978 15824 1 20 . 1 1 136 136 GLN H H 136 8.860 8.860 7.956 0.904 18978 15825 1 20 . 1 1 137 137 LYS N N 137 118.100 118.100 117.689 0.411 18978 15826 1 20 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.548 0.362 18978 15827 1 20 . 1 1 137 137 LYS C C 137 172.400 172.400 174.008 -1.608 18978 15828 1 20 . 1 1 137 137 LYS CA C 137 55.900 55.900 54.950 0.950 18978 15829 1 20 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.946 -0.406 18978 15830 1 20 . 1 1 137 137 LYS H H 137 8.260 8.260 7.981 0.279 18978 15831 1 20 . 1 1 138 138 LEU N N 138 123.500 123.500 123.893 -0.393 18978 15832 1 20 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.777 0.083 18978 15833 1 20 . 1 1 138 138 LEU C C 138 174.400 174.400 176.049 -1.649 18978 15834 1 20 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.739 -0.229 18978 15835 1 20 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.487 0.473 18978 15836 1 20 . 1 1 138 138 LEU H H 138 8.410 8.410 8.533 -0.123 18978 15837 1 20 . 1 1 139 139 THR N N 139 123.600 123.600 123.550 0.050 18978 15838 1 20 . 1 1 139 139 THR HA H 139 4.830 4.830 4.662 0.168 18978 15839 1 20 . 1 1 139 139 THR C C 139 171.400 171.400 172.515 -1.115 18978 15840 1 20 . 1 1 139 139 THR CA C 139 62.240 62.240 61.840 0.400 18978 15841 1 20 . 1 1 139 139 THR CB C 139 70.120 70.120 70.310 -0.190 18978 15842 1 20 . 1 1 139 139 THR H H 139 8.820 8.820 8.346 0.474 18978 15843 1 20 . 1 1 140 140 LEU N N 140 130.500 130.500 128.939 1.561 18978 15844 1 20 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.644 0.386 18978 15845 1 20 . 1 1 140 140 LEU C C 140 173.700 173.700 175.259 -1.559 18978 15846 1 20 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.429 -1.049 18978 15847 1 20 . 1 1 140 140 LEU CB C 140 44.890 44.890 44.203 0.687 18978 15848 1 20 . 1 1 140 140 LEU H H 140 9.250 9.250 8.621 0.629 18978 15849 1 20 . 1 1 141 141 ILE N N 141 127.300 127.300 128.255 -0.955 18978 15850 1 20 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.339 0.321 18978 15851 1 20 . 1 1 141 141 ILE C C 141 174.200 174.200 174.402 -0.202 18978 15852 1 20 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.494 -0.984 18978 15853 1 20 . 1 1 141 141 ILE CB C 141 38.850 38.850 39.860 -1.010 18978 15854 1 20 . 1 1 141 141 ILE H H 141 9.140 9.140 8.582 0.558 18978 15855 1 20 . 1 1 142 142 ARG N N 142 126.500 126.500 126.716 -0.216 18978 15856 1 20 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.618 0.262 18978 15857 1 20 . 1 1 142 142 ARG C C 142 175.100 175.100 176.163 -1.063 18978 15858 1 20 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.201 -0.661 18978 15859 1 20 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.903 -0.403 18978 15860 1 20 . 1 1 142 142 ARG H H 142 8.550 8.550 8.746 -0.196 18978 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 127 2.272 0.582 2.205 18978 2 1 1 "Average Difference" HA 150 0.295 0.013 0.295 18978 3 1 1 "Average Difference" C 125 1.150 0.498 1.041 18978 4 1 1 "Average Difference" CA 143 0.871 0.140 0.862 18978 5 1 1 "Average Difference" CB 135 1.033 0.169 1.023 18978 6 1 1 "Average Difference" HN 127 0.465 -0.021 0.467 18978 7 1 2 "Average Difference" N 127 2.200 0.641 2.113 18978 8 1 2 "Average Difference" HA 150 0.294 0.019 0.294 18978 9 1 2 "Average Difference" C 125 1.154 0.446 1.068 18978 10 1 2 "Average Difference" CA 143 0.813 0.150 0.802 18978 11 1 2 "Average Difference" CB 135 0.983 0.155 0.974 18978 12 1 2 "Average Difference" HN 127 0.474 -0.038 0.474 18978 13 1 3 "Average Difference" N 127 2.341 0.556 2.284 18978 14 1 3 "Average Difference" HA 150 0.301 0.021 0.301 18978 15 1 3 "Average Difference" C 125 1.169 0.484 1.068 18978 16 1 3 "Average Difference" CA 143 0.864 0.175 0.849 18978 17 1 3 "Average Difference" CB 135 1.035 0.207 1.018 18978 18 1 3 "Average Difference" HN 127 0.465 -0.045 0.465 18978 19 1 4 "Average Difference" N 127 2.294 0.467 2.255 18978 20 1 4 "Average Difference" HA 150 0.308 0.024 0.308 18978 21 1 4 "Average Difference" C 125 1.174 0.480 1.075 18978 22 1 4 "Average Difference" CA 143 0.833 0.126 0.826 18978 23 1 4 "Average Difference" CB 135 1.054 0.164 1.045 18978 24 1 4 "Average Difference" HN 127 0.450 -0.050 0.449 18978 25 1 5 "Average Difference" N 127 2.290 0.650 2.205 18978 26 1 5 "Average Difference" HA 150 0.301 0.015 0.301 18978 27 1 5 "Average Difference" C 125 1.148 0.458 1.057 18978 28 1 5 "Average Difference" CA 143 0.894 0.141 0.885 18978 29 1 5 "Average Difference" CB 135 1.033 0.197 1.018 18978 30 1 5 "Average Difference" HN 127 0.477 -0.045 0.477 18978 31 1 6 "Average Difference" N 127 2.307 0.673 2.216 18978 32 1 6 "Average Difference" HA 150 0.307 0.020 0.308 18978 33 1 6 "Average Difference" C 125 1.120 0.461 1.025 18978 34 1 6 "Average Difference" CA 143 0.838 0.172 0.823 18978 35 1 6 "Average Difference" CB 135 0.984 0.183 0.970 18978 36 1 6 "Average Difference" HN 127 0.457 -0.027 0.458 18978 37 1 7 "Average Difference" N 127 2.297 0.589 2.229 18978 38 1 7 "Average Difference" HA 150 0.312 0.007 0.313 18978 39 1 7 "Average Difference" C 125 1.179 0.523 1.061 18978 40 1 7 "Average Difference" CA 143 0.894 0.195 0.875 18978 41 1 7 "Average Difference" CB 135 1.027 0.151 1.020 18978 42 1 7 "Average Difference" HN 127 0.475 -0.046 0.475 18978 43 1 8 "Average Difference" N 127 2.295 0.424 2.264 18978 44 1 8 "Average Difference" HA 150 0.303 0.023 0.303 18978 45 1 8 "Average Difference" C 125 1.167 0.507 1.055 18978 46 1 8 "Average Difference" CA 143 0.886 0.164 0.874 18978 47 1 8 "Average Difference" CB 135 1.069 0.214 1.051 18978 48 1 8 "Average Difference" HN 127 0.464 -0.035 0.464 18978 49 1 9 "Average Difference" N 127 2.440 0.659 2.359 18978 50 1 9 "Average Difference" HA 150 0.307 0.017 0.308 18978 51 1 9 "Average Difference" C 125 1.122 0.448 1.032 18978 52 1 9 "Average Difference" CA 143 0.858 0.141 0.849 18978 53 1 9 "Average Difference" CB 135 1.029 0.172 1.019 18978 54 1 9 "Average Difference" HN 127 0.455 -0.035 0.456 18978 55 1 10 "Average Difference" N 127 2.308 0.453 2.272 18978 56 1 10 "Average Difference" HA 150 0.297 0.023 0.297 18978 57 1 10 "Average Difference" C 125 1.168 0.457 1.079 18978 58 1 10 "Average Difference" CA 143 0.877 0.115 0.873 18978 59 1 10 "Average Difference" CB 135 0.998 0.151 0.990 18978 60 1 10 "Average Difference" HN 127 0.463 -0.052 0.462 18978 61 1 11 "Average Difference" N 127 2.340 0.500 2.295 18978 62 1 11 "Average Difference" HA 150 0.306 0.022 0.306 18978 63 1 11 "Average Difference" C 125 1.181 0.469 1.088 18978 64 1 11 "Average Difference" CA 143 0.865 0.115 0.860 18978 65 1 11 "Average Difference" CB 135 1.057 0.179 1.046 18978 66 1 11 "Average Difference" HN 127 0.462 -0.031 0.463 18978 67 1 12 "Average Difference" N 127 2.258 0.655 2.170 18978 68 1 12 "Average Difference" HA 150 0.311 0.015 0.311 18978 69 1 12 "Average Difference" C 125 1.134 0.439 1.050 18978 70 1 12 "Average Difference" CA 143 0.894 0.135 0.886 18978 71 1 12 "Average Difference" CB 135 0.987 0.110 0.984 18978 72 1 12 "Average Difference" HN 127 0.457 -0.035 0.457 18978 73 1 13 "Average Difference" N 127 2.263 0.660 2.174 18978 74 1 13 "Average Difference" HA 150 0.318 0.031 0.318 18978 75 1 13 "Average Difference" C 125 1.143 0.471 1.046 18978 76 1 13 "Average Difference" CA 143 0.870 0.077 0.869 18978 77 1 13 "Average Difference" CB 135 0.994 0.141 0.988 18978 78 1 13 "Average Difference" HN 127 0.478 -0.028 0.479 18978 79 1 14 "Average Difference" N 127 2.366 0.590 2.301 18978 80 1 14 "Average Difference" HA 150 0.308 0.017 0.308 18978 81 1 14 "Average Difference" C 125 1.182 0.507 1.072 18978 82 1 14 "Average Difference" CA 143 0.826 0.151 0.815 18978 83 1 14 "Average Difference" CB 135 1.064 0.158 1.056 18978 84 1 14 "Average Difference" HN 127 0.469 -0.043 0.469 18978 85 1 15 "Average Difference" N 127 2.236 0.654 2.147 18978 86 1 15 "Average Difference" HA 150 0.308 0.027 0.308 18978 87 1 15 "Average Difference" C 125 1.187 0.532 1.066 18978 88 1 15 "Average Difference" CA 143 0.851 0.143 0.842 18978 89 1 15 "Average Difference" CB 135 1.037 0.169 1.027 18978 90 1 15 "Average Difference" HN 127 0.467 -0.021 0.468 18978 91 1 16 "Average Difference" N 127 2.308 0.624 2.231 18978 92 1 16 "Average Difference" HA 150 0.317 0.017 0.318 18978 93 1 16 "Average Difference" C 125 1.151 0.495 1.043 18978 94 1 16 "Average Difference" CA 143 0.868 0.194 0.849 18978 95 1 16 "Average Difference" CB 135 1.005 0.121 1.002 18978 96 1 16 "Average Difference" HN 127 0.463 -0.044 0.463 18978 97 1 17 "Average Difference" N 127 2.248 0.644 2.162 18978 98 1 17 "Average Difference" HA 150 0.305 0.025 0.305 18978 99 1 17 "Average Difference" C 125 1.148 0.476 1.049 18978 100 1 17 "Average Difference" CA 143 0.831 0.139 0.822 18978 101 1 17 "Average Difference" CB 135 1.038 0.180 1.026 18978 102 1 17 "Average Difference" HN 127 0.460 -0.056 0.459 18978 103 1 18 "Average Difference" N 127 2.374 0.509 2.328 18978 104 1 18 "Average Difference" HA 150 0.309 0.022 0.309 18978 105 1 18 "Average Difference" C 125 1.154 0.469 1.059 18978 106 1 18 "Average Difference" CA 143 0.849 0.155 0.838 18978 107 1 18 "Average Difference" CB 135 1.090 0.190 1.077 18978 108 1 18 "Average Difference" HN 127 0.488 -0.049 0.488 18978 109 1 19 "Average Difference" N 127 2.195 0.591 2.122 18978 110 1 19 "Average Difference" HA 150 0.305 0.009 0.305 18978 111 1 19 "Average Difference" C 125 1.150 0.464 1.057 18978 112 1 19 "Average Difference" CA 143 0.883 0.156 0.872 18978 113 1 19 "Average Difference" CB 135 1.017 0.155 1.009 18978 114 1 19 "Average Difference" HN 127 0.457 -0.042 0.457 18978 115 1 20 "Average Difference" N 127 2.447 0.709 2.351 18978 116 1 20 "Average Difference" HA 150 0.296 0.013 0.297 18978 117 1 20 "Average Difference" C 125 1.189 0.504 1.081 18978 118 1 20 "Average Difference" CA 143 0.841 0.155 0.829 18978 119 1 20 "Average Difference" CB 135 1.023 0.172 1.012 18978 120 1 20 "Average Difference" HN 127 0.477 -0.038 0.478 18978 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18978 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 -2 -2 GLY N N -2 110.000 110.000 111.227 -1.227 18978 2 1 . 1 1 -2 -2 GLY CA C -2 45.150 45.150 44.786 0.364 18978 3 1 . 1 1 -2 -2 GLY H H -2 8.390 8.390 8.156 0.234 18978 4 1 . 1 1 -1 -1 VAL N N -1 119.730 119.730 122.738 -3.008 18978 5 1 . 1 1 -1 -1 VAL HA H -1 4.040 4.040 4.225 -0.185 18978 6 1 . 1 1 -1 -1 VAL C C -1 175.880 175.880 175.757 0.123 18978 7 1 . 1 1 -1 -1 VAL CA C -1 62.110 62.110 61.906 0.204 18978 8 1 . 1 1 -1 -1 VAL CB C -1 32.760 32.760 33.436 -0.676 18978 9 1 . 1 1 -1 -1 VAL H H -1 7.870 7.870 8.196 -0.326 18978 10 1 . 1 1 0 0 ILE N N 0 125.570 125.570 126.474 -0.904 18978 11 1 . 1 1 0 0 ILE HA H 0 4.090 4.090 4.471 -0.381 18978 12 1 . 1 1 0 0 ILE C C 0 175.850 175.850 175.602 0.248 18978 13 1 . 1 1 0 0 ILE CA C 0 60.800 60.800 60.450 0.350 18978 14 1 . 1 1 0 0 ILE CB C 0 38.470 38.470 38.898 -0.428 18978 15 1 . 1 1 0 0 ILE H H 0 8.230 8.230 8.316 -0.086 18978 16 1 . 1 1 1 1 MET N N 1 125.930 125.930 125.092 0.838 18978 17 1 . 1 1 1 1 MET HA H 1 4.540 4.540 4.804 -0.264 18978 18 1 . 1 1 1 1 MET C C 1 174.830 174.830 175.319 -0.489 18978 19 1 . 1 1 1 1 MET CA C 1 54.790 54.790 55.391 -0.601 18978 20 1 . 1 1 1 1 MET CB C 1 32.640 32.640 33.593 -0.954 18978 21 1 . 1 1 1 1 MET H H 1 8.370 8.370 8.423 -0.053 18978 22 1 . 1 1 2 2 SER N N 2 116.400 116.400 117.535 -1.135 18978 23 1 . 1 1 2 2 SER HA H 2 5.030 5.030 5.084 -0.054 18978 24 1 . 1 1 2 2 SER C C 2 174.330 174.330 173.481 0.849 18978 25 1 . 1 1 2 2 SER CA C 2 57.320 57.320 57.198 0.122 18978 26 1 . 1 1 2 2 SER CB C 2 64.790 64.790 66.103 -1.313 18978 27 1 . 1 1 2 2 SER H H 2 7.990 7.990 8.394 -0.404 18978 28 1 . 1 1 3 3 GLU N N 3 123.670 123.670 123.011 0.659 18978 29 1 . 1 1 3 3 GLU HA H 3 5.250 5.250 5.413 -0.163 18978 30 1 . 1 1 3 3 GLU C C 3 172.980 172.980 174.094 -1.114 18978 31 1 . 1 1 3 3 GLU CA C 3 55.390 55.390 55.614 -0.224 18978 32 1 . 1 1 3 3 GLU CB C 3 33.910 33.910 34.438 -0.528 18978 33 1 . 1 1 3 3 GLU H H 3 9.430 9.430 8.628 0.802 18978 34 1 . 1 1 4 4 LEU N N 4 125.350 125.350 125.235 0.115 18978 35 1 . 1 1 4 4 LEU HA H 4 4.870 4.870 4.975 -0.105 18978 36 1 . 1 1 4 4 LEU C C 4 174.000 174.000 174.650 -0.650 18978 37 1 . 1 1 4 4 LEU CA C 4 53.020 53.020 53.840 -0.820 18978 38 1 . 1 1 4 4 LEU CB C 4 46.040 46.040 45.764 0.276 18978 39 1 . 1 1 4 4 LEU H H 4 8.930 8.930 8.552 0.378 18978 40 1 . 1 1 5 5 LYS N N 5 124.640 124.640 125.981 -1.341 18978 41 1 . 1 1 5 5 LYS HA H 5 5.360 5.360 5.002 0.358 18978 42 1 . 1 1 5 5 LYS C C 5 175.660 175.660 175.352 0.308 18978 43 1 . 1 1 5 5 LYS CA C 5 54.940 54.940 55.191 -0.251 18978 44 1 . 1 1 5 5 LYS CB C 5 34.280 34.280 34.082 0.198 18978 45 1 . 1 1 5 5 LYS H H 5 8.840 8.840 8.383 0.457 18978 46 1 . 1 1 6 6 LEU N N 6 123.460 123.460 124.922 -1.462 18978 47 1 . 1 1 6 6 LEU HA H 6 5.430 5.430 5.139 0.291 18978 48 1 . 1 1 6 6 LEU C C 6 174.630 174.630 175.252 -0.622 18978 49 1 . 1 1 6 6 LEU CA C 6 52.900 52.900 53.412 -0.512 18978 50 1 . 1 1 6 6 LEU CB C 6 46.910 46.910 45.431 1.479 18978 51 1 . 1 1 6 6 LEU H H 6 8.820 8.820 8.309 0.511 18978 52 1 . 1 1 7 7 LYS N N 7 122.230 122.230 121.682 0.548 18978 53 1 . 1 1 7 7 LYS HA H 7 5.490 5.490 5.069 0.421 18978 54 1 . 1 1 7 7 LYS CA C 7 52.270 52.270 52.843 -0.573 18978 55 1 . 1 1 7 7 LYS CB C 7 37.500 37.500 36.863 0.637 18978 56 1 . 1 1 7 7 LYS H H 7 9.110 9.110 8.480 0.630 18978 57 1 . 1 1 8 8 PRO HA H 8 4.100 4.100 4.796 -0.696 18978 58 1 . 1 1 8 8 PRO CA C 8 62.440 62.440 62.479 -0.039 18978 59 1 . 1 1 8 8 PRO CB C 8 30.640 30.640 32.855 -2.215 18978 60 1 . 1 1 9 9 LEU N N 9 123.250 123.250 122.469 0.781 18978 61 1 . 1 1 9 9 LEU HA H 9 4.320 4.320 4.428 -0.108 18978 62 1 . 1 1 9 9 LEU CA C 9 57.680 57.680 56.713 0.967 18978 63 1 . 1 1 9 9 LEU CB C 9 38.760 38.760 40.115 -1.355 18978 64 1 . 1 1 9 9 LEU H H 9 8.490 8.490 8.009 0.481 18978 65 1 . 1 1 10 10 PRO HA H 10 4.530 4.530 4.454 0.076 18978 66 1 . 1 1 10 10 PRO CA C 10 62.880 62.880 62.117 0.763 18978 67 1 . 1 1 10 10 PRO CB C 10 31.420 31.420 32.147 -0.727 18978 68 1 . 1 1 11 11 LYS N N 11 119.160 119.160 121.918 -2.758 18978 69 1 . 1 1 11 11 LYS HA H 11 4.110 4.110 4.327 -0.217 18978 70 1 . 1 1 11 11 LYS C C 11 175.680 175.680 175.814 -0.134 18978 71 1 . 1 1 11 11 LYS CA C 11 56.210 56.210 56.148 0.061 18978 72 1 . 1 1 11 11 LYS CB C 11 30.660 30.660 31.854 -1.194 18978 73 1 . 1 1 11 11 LYS H H 11 8.180 8.180 8.367 -0.187 18978 74 1 . 1 1 12 12 VAL N N 12 121.820 121.820 123.512 -1.692 18978 75 1 . 1 1 12 12 VAL HA H 12 4.280 4.280 4.294 -0.014 18978 76 1 . 1 1 12 12 VAL C C 12 173.690 173.690 174.643 -0.953 18978 77 1 . 1 1 12 12 VAL CA C 12 59.830 59.830 60.892 -1.062 18978 78 1 . 1 1 12 12 VAL CB C 12 34.550 34.550 34.821 -0.271 18978 79 1 . 1 1 12 12 VAL H H 12 7.530 7.530 8.106 -0.576 18978 80 1 . 1 1 13 13 GLU N N 13 125.610 125.610 125.227 0.383 18978 81 1 . 1 1 13 13 GLU HA H 13 4.330 4.330 4.488 -0.158 18978 82 1 . 1 1 13 13 GLU C C 13 175.390 175.390 175.482 -0.092 18978 83 1 . 1 1 13 13 GLU CA C 13 55.220 55.220 55.892 -0.672 18978 84 1 . 1 1 13 13 GLU CB C 13 29.970 29.970 30.144 -0.174 18978 85 1 . 1 1 13 13 GLU H H 13 8.270 8.270 8.460 -0.190 18978 86 1 . 1 1 14 14 LEU N N 14 125.880 125.880 127.126 -1.246 18978 87 1 . 1 1 14 14 LEU HA H 14 4.520 4.520 4.531 -0.012 18978 88 1 . 1 1 14 14 LEU CA C 14 51.660 51.660 52.100 -0.440 18978 89 1 . 1 1 14 14 LEU CB C 14 41.750 41.750 41.910 -0.160 18978 90 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.292 0.188 18978 91 1 . 1 1 15 15 PRO HA H 15 4.760 4.760 4.620 0.140 18978 92 1 . 1 1 15 15 PRO CA C 15 61.330 61.330 61.935 -0.605 18978 93 1 . 1 1 15 15 PRO CB C 15 31.060 31.060 31.347 -0.287 18978 94 1 . 1 1 16 16 PRO HA H 16 4.390 4.390 4.239 0.151 18978 95 1 . 1 1 16 16 PRO CA C 16 64.550 64.550 65.108 -0.558 18978 96 1 . 1 1 16 16 PRO CB C 16 31.770 31.770 31.827 -0.057 18978 97 1 . 1 1 17 17 ASP N N 17 115.820 115.820 115.733 0.087 18978 98 1 . 1 1 17 17 ASP HA H 17 4.620 4.620 4.654 -0.034 18978 99 1 . 1 1 17 17 ASP C C 17 177.100 177.100 177.103 -0.003 18978 100 1 . 1 1 17 17 ASP CA C 17 53.890 53.890 54.211 -0.321 18978 101 1 . 1 1 17 17 ASP CB C 17 39.120 39.120 39.089 0.031 18978 102 1 . 1 1 17 17 ASP H H 17 8.560 8.560 8.740 -0.180 18978 103 1 . 1 1 18 18 PHE N N 18 119.610 119.610 122.014 -2.404 18978 104 1 . 1 1 18 18 PHE HA H 18 4.180 4.180 4.136 0.044 18978 105 1 . 1 1 18 18 PHE C C 18 176.740 176.740 176.653 0.087 18978 106 1 . 1 1 18 18 PHE CA C 18 61.020 61.020 61.862 -0.842 18978 107 1 . 1 1 18 18 PHE CB C 18 39.230 39.230 39.362 -0.133 18978 108 1 . 1 1 18 18 PHE H H 18 7.940 7.940 7.766 0.174 18978 109 1 . 1 1 19 19 VAL N N 19 116.370 116.370 118.216 -1.846 18978 110 1 . 1 1 19 19 VAL HA H 19 3.350 3.350 3.587 -0.237 18978 111 1 . 1 1 19 19 VAL C C 19 176.400 176.400 177.608 -1.208 18978 112 1 . 1 1 19 19 VAL CA C 19 66.510 66.510 66.812 -0.302 18978 113 1 . 1 1 19 19 VAL CB C 19 31.020 31.020 31.199 -0.179 18978 114 1 . 1 1 19 19 VAL H H 19 8.010 8.010 8.157 -0.147 18978 115 1 . 1 1 20 20 ASP N N 20 119.190 119.190 119.563 -0.373 18978 116 1 . 1 1 20 20 ASP HA H 20 4.310 4.310 4.342 -0.032 18978 117 1 . 1 1 20 20 ASP C C 20 178.360 178.360 178.825 -0.465 18978 118 1 . 1 1 20 20 ASP CA C 20 57.110 57.110 57.588 -0.478 18978 119 1 . 1 1 20 20 ASP CB C 20 40.450 40.450 40.318 0.132 18978 120 1 . 1 1 20 20 ASP H H 20 7.420 7.420 7.621 -0.201 18978 121 1 . 1 1 21 21 VAL N N 21 119.830 119.830 120.221 -0.391 18978 122 1 . 1 1 21 21 VAL HA H 21 3.510 3.510 3.589 -0.079 18978 123 1 . 1 1 21 21 VAL C C 21 178.100 178.100 177.996 0.104 18978 124 1 . 1 1 21 21 VAL CA C 21 65.570 65.570 66.099 -0.529 18978 125 1 . 1 1 21 21 VAL CB C 21 31.410 31.410 31.383 0.027 18978 126 1 . 1 1 21 21 VAL H H 21 7.190 7.190 7.363 -0.173 18978 127 1 . 1 1 22 22 ILE N N 22 118.490 118.490 119.234 -0.744 18978 128 1 . 1 1 22 22 ILE HA H 22 3.170 3.170 3.475 -0.305 18978 129 1 . 1 1 22 22 ILE C C 22 176.660 176.660 178.070 -1.410 18978 130 1 . 1 1 22 22 ILE CA C 22 65.220 65.220 63.712 1.508 18978 131 1 . 1 1 22 22 ILE CB C 22 37.500 37.500 36.189 1.310 18978 132 1 . 1 1 22 22 ILE H H 22 7.660 7.660 7.564 0.096 18978 133 1 . 1 1 23 23 ARG N N 23 118.260 118.260 120.414 -2.154 18978 134 1 . 1 1 23 23 ARG HA H 23 3.380 3.380 3.921 -0.541 18978 135 1 . 1 1 23 23 ARG C C 23 178.060 178.060 178.858 -0.798 18978 136 1 . 1 1 23 23 ARG CA C 23 60.570 60.570 59.977 0.592 18978 137 1 . 1 1 23 23 ARG CB C 23 30.070 30.070 30.106 -0.036 18978 138 1 . 1 1 23 23 ARG H H 23 7.830 7.830 7.745 0.085 18978 139 1 . 1 1 24 24 ILE N N 24 116.750 116.750 118.707 -1.957 18978 140 1 . 1 1 24 24 ILE HA H 24 3.720 3.720 3.729 -0.009 18978 141 1 . 1 1 24 24 ILE C C 24 179.090 179.090 177.754 1.336 18978 142 1 . 1 1 24 24 ILE CA C 24 64.060 64.060 64.528 -0.468 18978 143 1 . 1 1 24 24 ILE CB C 24 38.030 38.030 37.839 0.191 18978 144 1 . 1 1 24 24 ILE H H 24 7.350 7.350 7.619 -0.269 18978 145 1 . 1 1 25 25 LYS N N 25 118.700 118.700 117.984 0.716 18978 146 1 . 1 1 25 25 LYS HA H 25 4.090 4.090 4.007 0.083 18978 147 1 . 1 1 25 25 LYS C C 25 178.560 178.560 178.289 0.271 18978 148 1 . 1 1 25 25 LYS CA C 25 57.650 57.650 58.717 -1.067 18978 149 1 . 1 1 25 25 LYS CB C 25 32.090 32.090 32.782 -0.692 18978 150 1 . 1 1 25 25 LYS H H 25 7.880 7.880 7.577 0.303 18978 151 1 . 1 1 26 26 LEU N N 26 116.380 116.380 117.910 -1.530 18978 152 1 . 1 1 26 26 LEU HA H 26 4.230 4.230 4.180 0.050 18978 153 1 . 1 1 26 26 LEU C C 26 175.880 175.880 177.130 -1.250 18978 154 1 . 1 1 26 26 LEU CA C 26 54.090 54.090 55.804 -1.714 18978 155 1 . 1 1 26 26 LEU CB C 26 43.310 43.310 42.757 0.553 18978 156 1 . 1 1 26 26 LEU H H 26 7.860 7.860 7.808 0.052 18978 157 1 . 1 1 27 27 GLN N N 27 119.210 119.210 117.245 1.965 18978 158 1 . 1 1 27 27 GLN HA H 27 3.530 3.530 3.870 -0.340 18978 159 1 . 1 1 27 27 GLN C C 27 177.480 177.480 177.151 0.329 18978 160 1 . 1 1 27 27 GLN CA C 27 58.370 58.370 57.372 0.998 18978 161 1 . 1 1 27 27 GLN CB C 27 28.300 28.300 28.713 -0.413 18978 162 1 . 1 1 27 27 GLN H H 27 7.190 7.190 7.599 -0.409 18978 163 1 . 1 1 28 28 GLY N N 28 113.490 113.490 113.462 0.028 18978 164 1 . 1 1 28 28 GLY C C 28 174.070 174.070 174.397 -0.327 18978 165 1 . 1 1 28 28 GLY CA C 28 45.280 45.280 44.951 0.329 18978 166 1 . 1 1 28 28 GLY H H 28 8.940 8.940 8.708 0.232 18978 167 1 . 1 1 29 29 LYS N N 29 122.060 122.060 122.470 -0.410 18978 168 1 . 1 1 29 29 LYS HA H 29 4.400 4.400 4.633 -0.233 18978 169 1 . 1 1 29 29 LYS C C 29 175.560 175.560 175.605 -0.045 18978 170 1 . 1 1 29 29 LYS CA C 29 55.660 55.660 55.160 0.500 18978 171 1 . 1 1 29 29 LYS CB C 29 32.870 32.870 33.993 -1.123 18978 172 1 . 1 1 29 29 LYS H H 29 8.350 8.350 7.835 0.515 18978 173 1 . 1 1 30 30 THR N N 30 118.150 118.150 117.071 1.079 18978 174 1 . 1 1 30 30 THR HA H 30 5.330 5.330 5.056 0.274 18978 175 1 . 1 1 30 30 THR C C 30 174.860 174.860 174.336 0.524 18978 176 1 . 1 1 30 30 THR CA C 30 62.040 62.040 61.587 0.453 18978 177 1 . 1 1 30 30 THR CB C 30 69.420 69.420 70.015 -0.595 18978 178 1 . 1 1 30 30 THR H H 30 8.410 8.410 8.299 0.111 18978 179 1 . 1 1 31 31 VAL N N 31 122.510 122.510 120.861 1.649 18978 180 1 . 1 1 31 31 VAL HA H 31 4.570 4.570 4.601 -0.031 18978 181 1 . 1 1 31 31 VAL C C 31 172.970 172.970 173.643 -0.673 18978 182 1 . 1 1 31 31 VAL CA C 31 59.450 59.450 59.923 -0.473 18978 183 1 . 1 1 31 31 VAL CB C 31 35.880 35.880 34.949 0.931 18978 184 1 . 1 1 31 31 VAL H H 31 9.140 9.140 8.908 0.232 18978 185 1 . 1 1 32 32 ARG N N 32 120.640 120.640 122.050 -1.410 18978 186 1 . 1 1 32 32 ARG HA H 32 4.750 4.750 4.804 -0.054 18978 187 1 . 1 1 32 32 ARG C C 32 175.650 175.650 175.325 0.325 18978 188 1 . 1 1 32 32 ARG CA C 32 53.650 53.650 54.366 -0.716 18978 189 1 . 1 1 32 32 ARG CB C 32 33.870 33.870 34.368 -0.498 18978 190 1 . 1 1 32 32 ARG H H 32 8.420 8.420 8.912 -0.492 18978 191 1 . 1 1 33 33 THR N N 33 118.590 118.590 118.046 0.544 18978 192 1 . 1 1 33 33 THR HA H 33 3.410 3.410 3.845 -0.435 18978 193 1 . 1 1 33 33 THR C C 33 175.020 175.020 175.773 -0.753 18978 194 1 . 1 1 33 33 THR CA C 33 65.660 65.660 64.943 0.718 18978 195 1 . 1 1 33 33 THR CB C 33 69.400 69.400 68.635 0.765 18978 196 1 . 1 1 33 33 THR H H 33 8.370 8.370 8.546 -0.176 18978 197 1 . 1 1 34 34 GLY N N 34 117.350 117.350 115.714 1.636 18978 198 1 . 1 1 34 34 GLY C C 34 174.350 174.350 174.472 -0.122 18978 199 1 . 1 1 34 34 GLY CA C 34 45.000 45.000 44.825 0.175 18978 200 1 . 1 1 34 34 GLY H H 34 9.090 9.090 8.588 0.502 18978 201 1 . 1 1 35 35 ASP N N 35 122.240 122.240 123.077 -0.837 18978 202 1 . 1 1 35 35 ASP HA H 35 4.470 4.470 4.688 -0.218 18978 203 1 . 1 1 35 35 ASP C C 35 174.570 174.570 175.281 -0.711 18978 204 1 . 1 1 35 35 ASP CA C 35 55.570 55.570 55.369 0.201 18978 205 1 . 1 1 35 35 ASP CB C 35 41.680 41.680 41.883 -0.203 18978 206 1 . 1 1 35 35 ASP H H 35 8.010 8.010 7.802 0.208 18978 207 1 . 1 1 36 36 VAL N N 36 119.860 119.860 120.945 -1.085 18978 208 1 . 1 1 36 36 VAL HA H 36 4.950 4.950 4.755 0.195 18978 209 1 . 1 1 36 36 VAL C C 36 176.330 176.330 175.869 0.461 18978 210 1 . 1 1 36 36 VAL CA C 36 61.710 61.710 61.288 0.421 18978 211 1 . 1 1 36 36 VAL CB C 36 32.900 32.900 33.715 -0.815 18978 212 1 . 1 1 36 36 VAL H H 36 8.330 8.330 8.337 -0.007 18978 213 1 . 1 1 37 37 ILE N N 37 124.990 124.990 128.064 -3.074 18978 214 1 . 1 1 37 37 ILE HA H 37 4.630 4.630 4.518 0.112 18978 215 1 . 1 1 37 37 ILE C C 37 174.400 174.400 174.895 -0.495 18978 216 1 . 1 1 37 37 ILE CA C 37 58.990 58.990 60.468 -1.478 18978 217 1 . 1 1 37 37 ILE CB C 37 41.810 41.810 41.325 0.485 18978 218 1 . 1 1 37 37 ILE H H 37 9.160 9.160 8.688 0.472 18978 219 1 . 1 1 38 38 GLY N N 38 112.060 112.060 112.793 -0.733 18978 220 1 . 1 1 38 38 GLY C C 38 172.920 172.920 173.644 -0.724 18978 221 1 . 1 1 38 38 GLY CA C 38 44.580 44.580 44.339 0.241 18978 222 1 . 1 1 38 38 GLY H H 38 8.660 8.660 8.449 0.211 18978 223 1 . 1 1 39 39 ILE N N 39 123.220 123.220 124.372 -1.152 18978 224 1 . 1 1 39 39 ILE HA H 39 4.370 4.370 4.443 -0.073 18978 225 1 . 1 1 39 39 ILE C C 39 174.500 174.500 175.268 -0.768 18978 226 1 . 1 1 39 39 ILE CA C 39 59.550 59.550 60.520 -0.970 18978 227 1 . 1 1 39 39 ILE CB C 39 41.300 41.300 41.779 -0.478 18978 228 1 . 1 1 39 39 ILE H H 39 8.810 8.810 8.264 0.546 18978 229 1 . 1 1 40 40 SER N N 40 121.430 121.430 121.913 -0.483 18978 230 1 . 1 1 40 40 SER HA H 40 4.830 4.830 4.842 -0.012 18978 231 1 . 1 1 40 40 SER C C 40 174.130 174.130 174.052 0.078 18978 232 1 . 1 1 40 40 SER CA C 40 57.770 57.770 57.865 -0.095 18978 233 1 . 1 1 40 40 SER CB C 40 63.040 63.040 63.679 -0.639 18978 234 1 . 1 1 40 40 SER H H 40 8.540 8.540 8.688 -0.148 18978 235 1 . 1 1 41 41 ILE N N 41 127.060 127.060 127.749 -0.689 18978 236 1 . 1 1 41 41 ILE HA H 41 4.290 4.290 4.408 -0.118 18978 237 1 . 1 1 41 41 ILE C C 41 175.280 175.280 175.745 -0.465 18978 238 1 . 1 1 41 41 ILE CA C 41 60.250 60.250 60.319 -0.069 18978 239 1 . 1 1 41 41 ILE CB C 41 39.840 39.840 39.549 0.291 18978 240 1 . 1 1 41 41 ILE H H 41 8.930 8.930 8.580 0.350 18978 241 1 . 1 1 42 42 LEU N N 42 126.770 126.770 128.662 -1.892 18978 242 1 . 1 1 42 42 LEU HA H 42 3.890 3.890 3.968 -0.078 18978 243 1 . 1 1 42 42 LEU C C 42 177.130 177.130 177.056 0.074 18978 244 1 . 1 1 42 42 LEU CA C 42 55.560 55.560 55.501 0.059 18978 245 1 . 1 1 42 42 LEU CB C 42 39.370 39.370 40.746 -1.376 18978 246 1 . 1 1 42 42 LEU H H 42 9.380 9.380 9.092 0.288 18978 247 1 . 1 1 43 43 GLY N N 43 103.820 103.820 104.498 -0.678 18978 248 1 . 1 1 43 43 GLY C C 43 173.690 173.690 173.730 -0.040 18978 249 1 . 1 1 43 43 GLY CA C 43 45.340 45.340 45.105 0.235 18978 250 1 . 1 1 43 43 GLY H H 43 8.310 8.310 8.629 -0.319 18978 251 1 . 1 1 44 44 LYS N N 44 121.160 121.160 121.111 0.049 18978 252 1 . 1 1 44 44 LYS HA H 44 4.560 4.560 4.544 0.016 18978 253 1 . 1 1 44 44 LYS C C 44 174.550 174.550 174.928 -0.378 18978 254 1 . 1 1 44 44 LYS CA C 44 54.140 54.140 55.186 -1.046 18978 255 1 . 1 1 44 44 LYS CB C 44 34.620 34.620 34.675 -0.055 18978 256 1 . 1 1 44 44 LYS H H 44 7.730 7.730 7.633 0.097 18978 257 1 . 1 1 45 45 GLU N N 45 124.090 124.090 127.065 -2.975 18978 258 1 . 1 1 45 45 GLU HA H 45 4.280 4.280 4.464 -0.184 18978 259 1 . 1 1 45 45 GLU C C 45 175.730 175.730 175.488 0.242 18978 260 1 . 1 1 45 45 GLU CA C 45 56.730 56.730 56.217 0.513 18978 261 1 . 1 1 45 45 GLU CB C 45 30.070 30.070 30.601 -0.531 18978 262 1 . 1 1 45 45 GLU H H 45 8.490 8.490 8.695 -0.205 18978 263 1 . 1 1 46 46 VAL N N 46 129.960 129.960 127.482 2.478 18978 264 1 . 1 1 46 46 VAL HA H 46 4.030 4.030 4.307 -0.277 18978 265 1 . 1 1 46 46 VAL C C 46 174.610 174.610 173.704 0.906 18978 266 1 . 1 1 46 46 VAL CA C 46 61.680 61.680 60.063 1.617 18978 267 1 . 1 1 46 46 VAL CB C 46 33.880 33.880 34.287 -0.407 18978 268 1 . 1 1 46 46 VAL H H 46 8.920 8.920 8.482 0.438 18978 269 1 . 1 1 47 47 LYS N N 47 124.790 124.790 128.179 -3.389 18978 270 1 . 1 1 47 47 LYS HA H 47 5.120 5.120 4.761 0.359 18978 271 1 . 1 1 47 47 LYS C C 47 175.380 175.380 175.443 -0.063 18978 272 1 . 1 1 47 47 LYS CA C 47 55.200 55.200 55.210 -0.010 18978 273 1 . 1 1 47 47 LYS CB C 47 34.670 34.670 33.585 1.085 18978 274 1 . 1 1 47 47 LYS H H 47 7.860 7.860 8.416 -0.556 18978 275 1 . 1 1 48 48 PHE N N 48 118.270 118.270 123.855 -5.585 18978 276 1 . 1 1 48 48 PHE HA H 48 4.960 4.960 5.010 -0.050 18978 277 1 . 1 1 48 48 PHE C C 48 173.950 173.950 174.807 -0.857 18978 278 1 . 1 1 48 48 PHE CA C 48 55.910 55.910 56.503 -0.593 18978 279 1 . 1 1 48 48 PHE CB C 48 42.950 42.950 41.641 1.309 18978 280 1 . 1 1 48 48 PHE H H 48 9.270 9.270 8.795 0.475 18978 281 1 . 1 1 49 49 LYS N N 49 121.960 121.960 123.328 -1.368 18978 282 1 . 1 1 49 49 LYS HA H 49 4.910 4.910 4.890 0.020 18978 283 1 . 1 1 49 49 LYS C C 49 176.230 176.230 175.607 0.623 18978 284 1 . 1 1 49 49 LYS CA C 49 53.910 53.910 54.579 -0.669 18978 285 1 . 1 1 49 49 LYS CB C 49 35.170 35.170 35.964 -0.794 18978 286 1 . 1 1 49 49 LYS H H 49 9.170 9.170 8.614 0.556 18978 287 1 . 1 1 50 50 VAL N N 50 127.140 127.140 127.499 -0.359 18978 288 1 . 1 1 50 50 VAL HA H 50 4.170 4.170 4.012 0.158 18978 289 1 . 1 1 50 50 VAL C C 50 175.500 175.500 176.333 -0.833 18978 290 1 . 1 1 50 50 VAL CA C 50 61.980 61.980 63.371 -1.391 18978 291 1 . 1 1 50 50 VAL CB C 50 29.490 29.490 30.735 -1.245 18978 292 1 . 1 1 50 50 VAL H H 50 9.400 9.400 8.284 1.116 18978 293 1 . 1 1 51 51 VAL N N 51 132.840 132.840 129.401 3.439 18978 294 1 . 1 1 51 51 VAL HA H 51 3.650 3.650 3.873 -0.223 18978 295 1 . 1 1 51 51 VAL C C 51 176.440 176.440 176.150 0.290 18978 296 1 . 1 1 51 51 VAL CA C 51 64.930 64.930 65.242 -0.312 18978 297 1 . 1 1 51 51 VAL CB C 51 32.130 32.130 32.222 -0.092 18978 298 1 . 1 1 51 51 VAL H H 51 8.390 8.390 8.399 -0.009 18978 299 1 . 1 1 52 52 GLN N N 52 114.500 114.500 114.873 -0.373 18978 300 1 . 1 1 52 52 GLN HA H 52 4.270 4.270 4.545 -0.275 18978 301 1 . 1 1 52 52 GLN C C 52 172.290 172.290 173.443 -1.153 18978 302 1 . 1 1 52 52 GLN CA C 52 56.640 56.640 55.330 1.310 18978 303 1 . 1 1 52 52 GLN CB C 52 32.630 32.630 32.863 -0.233 18978 304 1 . 1 1 52 52 GLN H H 52 7.470 7.470 7.519 -0.049 18978 305 1 . 1 1 53 53 ALA N N 53 131.410 131.410 126.306 5.104 18978 306 1 . 1 1 53 53 ALA HA H 53 4.830 4.830 4.896 -0.066 18978 307 1 . 1 1 53 53 ALA C C 53 174.270 174.270 175.201 -0.932 18978 308 1 . 1 1 53 53 ALA CA C 53 50.800 50.800 50.641 0.159 18978 309 1 . 1 1 53 53 ALA CB C 53 20.100 20.100 22.117 -2.017 18978 310 1 . 1 1 53 53 ALA H H 53 8.200 8.200 8.422 -0.222 18978 311 1 . 1 1 54 54 TYR N N 54 124.140 124.140 124.145 -0.005 18978 312 1 . 1 1 54 54 TYR HA H 54 4.540 4.540 4.991 -0.451 18978 313 1 . 1 1 54 54 TYR CA C 54 54.270 54.270 55.575 -1.305 18978 314 1 . 1 1 54 54 TYR CB C 54 41.360 41.360 42.058 -0.698 18978 315 1 . 1 1 54 54 TYR H H 54 8.860 8.860 8.571 0.289 18978 316 1 . 1 1 55 55 PRO HA H 55 4.120 4.120 4.309 -0.189 18978 317 1 . 1 1 55 55 PRO CA C 55 63.450 63.450 62.316 1.134 18978 318 1 . 1 1 55 55 PRO CB C 55 34.170 34.170 32.893 1.277 18978 319 1 . 1 1 56 56 SER N N 56 106.200 106.200 114.689 -8.489 18978 320 1 . 1 1 56 56 SER HA H 56 4.720 4.720 4.796 -0.076 18978 321 1 . 1 1 56 56 SER CA C 56 54.250 54.250 56.109 -1.859 18978 322 1 . 1 1 56 56 SER CB C 56 64.530 64.530 64.220 0.310 18978 323 1 . 1 1 56 56 SER H H 56 7.380 7.380 8.117 -0.737 18978 324 1 . 1 1 57 57 PRO HA H 57 4.880 4.880 4.419 0.461 18978 325 1 . 1 1 57 57 PRO CA C 57 62.990 62.990 62.823 0.167 18978 326 1 . 1 1 57 57 PRO CB C 57 35.220 35.220 32.591 2.629 18978 327 1 . 1 1 58 58 LEU N N 58 120.480 120.480 122.627 -2.147 18978 328 1 . 1 1 58 58 LEU HA H 58 4.430 4.430 4.683 -0.253 18978 329 1 . 1 1 58 58 LEU C C 58 174.570 174.570 175.134 -0.564 18978 330 1 . 1 1 58 58 LEU CA C 58 53.900 53.900 54.062 -0.162 18978 331 1 . 1 1 58 58 LEU CB C 58 44.210 44.210 45.741 -1.531 18978 332 1 . 1 1 58 58 LEU H H 58 8.960 8.960 8.385 0.575 18978 333 1 . 1 1 59 59 ARG N N 59 125.180 125.180 125.751 -0.571 18978 334 1 . 1 1 59 59 ARG HA H 59 4.930 4.930 4.540 0.390 18978 335 1 . 1 1 59 59 ARG C C 59 175.460 175.460 175.385 0.075 18978 336 1 . 1 1 59 59 ARG CA C 59 54.040 54.040 55.083 -1.043 18978 337 1 . 1 1 59 59 ARG CB C 59 30.550 30.550 31.478 -0.928 18978 338 1 . 1 1 59 59 ARG H H 59 8.130 8.130 8.559 -0.429 18978 339 1 . 1 1 60 60 VAL N N 60 128.170 128.170 128.105 0.065 18978 340 1 . 1 1 60 60 VAL HA H 60 3.410 3.410 4.010 -0.600 18978 341 1 . 1 1 60 60 VAL C C 60 175.460 175.460 174.722 0.738 18978 342 1 . 1 1 60 60 VAL CA C 60 65.210 65.210 63.239 1.971 18978 343 1 . 1 1 60 60 VAL CB C 60 29.840 29.840 31.851 -2.011 18978 344 1 . 1 1 60 60 VAL H H 60 8.450 8.450 8.212 0.238 18978 345 1 . 1 1 61 61 GLU N N 61 127.670 127.670 127.138 0.532 18978 346 1 . 1 1 61 61 GLU HA H 61 4.870 4.870 4.598 0.272 18978 347 1 . 1 1 61 61 GLU C C 61 176.960 176.960 176.535 0.425 18978 348 1 . 1 1 61 61 GLU CA C 61 54.330 54.330 54.549 -0.219 18978 349 1 . 1 1 61 61 GLU CB C 61 33.280 33.280 33.319 -0.039 18978 350 1 . 1 1 61 61 GLU H H 61 8.620 8.620 7.874 0.746 18978 351 1 . 1 1 62 62 ASP N N 62 121.140 121.140 122.421 -1.281 18978 352 1 . 1 1 62 62 ASP HA H 62 4.150 4.150 4.286 -0.136 18978 353 1 . 1 1 62 62 ASP C C 62 177.460 177.460 177.107 0.353 18978 354 1 . 1 1 62 62 ASP CA C 62 57.620 57.620 57.336 0.285 18978 355 1 . 1 1 62 62 ASP CB C 62 40.360 40.360 40.694 -0.334 18978 356 1 . 1 1 62 62 ASP H H 62 8.700 8.700 8.822 -0.122 18978 357 1 . 1 1 63 63 ARG N N 63 112.890 112.890 116.777 -3.887 18978 358 1 . 1 1 63 63 ARG HA H 63 4.280 4.280 4.289 -0.009 18978 359 1 . 1 1 63 63 ARG C C 63 176.510 176.510 176.755 -0.245 18978 360 1 . 1 1 63 63 ARG CA C 63 55.450 55.450 56.475 -1.025 18978 361 1 . 1 1 63 63 ARG CB C 63 29.990 29.990 30.103 -0.113 18978 362 1 . 1 1 63 63 ARG H H 63 7.760 7.760 8.061 -0.301 18978 363 1 . 1 1 64 64 THR N N 64 120.650 120.650 117.098 3.552 18978 364 1 . 1 1 64 64 THR HA H 64 4.020 4.020 4.353 -0.333 18978 365 1 . 1 1 64 64 THR C C 64 173.810 173.810 174.214 -0.404 18978 366 1 . 1 1 64 64 THR CA C 64 64.060 64.060 63.431 0.629 18978 367 1 . 1 1 64 64 THR CB C 64 69.350 69.350 69.686 -0.336 18978 368 1 . 1 1 64 64 THR H H 64 7.700 7.700 7.613 0.087 18978 369 1 . 1 1 65 65 LYS N N 65 130.950 130.950 127.070 3.880 18978 370 1 . 1 1 65 65 LYS HA H 65 4.270 4.270 4.478 -0.208 18978 371 1 . 1 1 65 65 LYS C C 65 174.560 174.560 175.247 -0.687 18978 372 1 . 1 1 65 65 LYS CA C 65 56.280 56.280 56.015 0.265 18978 373 1 . 1 1 65 65 LYS CB C 65 33.120 33.120 33.552 -0.432 18978 374 1 . 1 1 65 65 LYS H H 65 8.520 8.520 8.257 0.263 18978 375 1 . 1 1 66 66 ILE N N 66 128.020 128.020 125.357 2.663 18978 376 1 . 1 1 66 66 ILE HA H 66 4.850 4.850 4.816 0.034 18978 377 1 . 1 1 66 66 ILE C C 66 174.650 174.650 176.065 -1.415 18978 378 1 . 1 1 66 66 ILE CA C 66 59.820 59.820 60.214 -0.394 18978 379 1 . 1 1 66 66 ILE CB C 66 38.280 38.280 40.123 -1.843 18978 380 1 . 1 1 66 66 ILE H H 66 8.430 8.430 8.570 -0.140 18978 381 1 . 1 1 67 67 THR N N 67 123.870 123.870 123.102 0.768 18978 382 1 . 1 1 67 67 THR HA H 67 4.470 4.470 4.737 -0.267 18978 383 1 . 1 1 67 67 THR C C 67 172.760 172.760 172.752 0.008 18978 384 1 . 1 1 67 67 THR CA C 67 60.740 60.740 61.278 -0.538 18978 385 1 . 1 1 67 67 THR CB C 67 71.320 71.320 71.109 0.211 18978 386 1 . 1 1 67 67 THR H H 67 8.870 8.870 8.440 0.430 18978 387 1 . 1 1 68 68 LEU N N 68 127.070 127.070 127.398 -0.328 18978 388 1 . 1 1 68 68 LEU HA H 68 5.140 5.140 4.995 0.145 18978 389 1 . 1 1 68 68 LEU C C 68 176.610 176.610 176.360 0.250 18978 390 1 . 1 1 68 68 LEU CA C 68 53.280 53.280 54.013 -0.733 18978 391 1 . 1 1 68 68 LEU CB C 68 42.600 42.600 43.468 -0.869 18978 392 1 . 1 1 68 68 LEU H H 68 8.820 8.820 8.624 0.196 18978 393 1 . 1 1 69 69 VAL N N 69 124.120 124.120 126.619 -2.499 18978 394 1 . 1 1 69 69 VAL HA H 69 4.260 4.260 4.323 -0.063 18978 395 1 . 1 1 69 69 VAL CA C 69 61.350 61.350 62.013 -0.663 18978 396 1 . 1 1 69 69 VAL CB C 69 32.790 32.790 32.613 0.177 18978 397 1 . 1 1 69 69 VAL H H 69 8.800 8.800 8.430 0.370 18978 398 1 . 1 1 70 70 THR N N 70 114.500 114.500 119.589 -5.089 18978 399 1 . 1 1 70 70 THR HA H 70 4.410 4.410 4.465 -0.055 18978 400 1 . 1 1 70 70 THR CA C 70 60.800 60.800 61.717 -0.917 18978 401 1 . 1 1 70 70 THR CB C 70 69.650 69.650 69.808 -0.158 18978 402 1 . 1 1 70 70 THR H H 70 8.160 8.160 8.416 -0.256 18978 403 1 . 1 1 72 72 PRO HA H 72 3.930 3.930 4.499 -0.569 18978 404 1 . 1 1 72 72 PRO CA C 72 64.520 64.520 63.303 1.217 18978 405 1 . 1 1 72 72 PRO CB C 72 34.140 34.140 32.440 1.700 18978 406 1 . 1 1 73 73 VAL N N 73 117.500 117.500 116.363 1.137 18978 407 1 . 1 1 73 73 VAL HA H 73 4.520 4.520 4.300 0.220 18978 408 1 . 1 1 73 73 VAL C C 73 174.100 174.100 174.945 -0.845 18978 409 1 . 1 1 73 73 VAL CA C 73 60.010 60.010 60.452 -0.442 18978 410 1 . 1 1 73 73 VAL CB C 73 33.330 33.330 33.614 -0.284 18978 411 1 . 1 1 73 73 VAL H H 73 7.410 7.410 7.666 -0.256 18978 412 1 . 1 1 74 74 ASP N N 74 124.500 124.500 122.005 2.495 18978 413 1 . 1 1 74 74 ASP HA H 74 4.910 4.910 4.822 0.088 18978 414 1 . 1 1 74 74 ASP C C 74 174.000 174.000 175.481 -1.481 18978 415 1 . 1 1 74 74 ASP CA C 74 53.450 53.450 53.790 -0.340 18978 416 1 . 1 1 74 74 ASP CB C 74 43.350 43.350 41.375 1.975 18978 417 1 . 1 1 74 74 ASP H H 74 8.290 8.290 8.375 -0.085 18978 418 1 . 1 1 75 75 VAL N N 75 122.400 122.400 124.220 -1.820 18978 419 1 . 1 1 75 75 VAL HA H 75 4.690 4.690 4.333 0.357 18978 420 1 . 1 1 75 75 VAL C C 75 174.600 174.600 175.205 -0.605 18978 421 1 . 1 1 75 75 VAL CA C 75 61.200 61.200 61.557 -0.357 18978 422 1 . 1 1 75 75 VAL CB C 75 33.330 33.330 32.990 0.340 18978 423 1 . 1 1 75 75 VAL H H 75 7.780 7.780 8.407 -0.627 18978 424 1 . 1 1 76 76 LEU N N 76 130.300 130.300 128.056 2.244 18978 425 1 . 1 1 76 76 LEU HA H 76 4.720 4.720 4.654 0.066 18978 426 1 . 1 1 76 76 LEU C C 76 174.400 174.400 176.092 -1.692 18978 427 1 . 1 1 76 76 LEU CA C 76 53.630 53.630 54.328 -0.697 18978 428 1 . 1 1 76 76 LEU CB C 76 44.960 44.960 43.924 1.036 18978 429 1 . 1 1 76 76 LEU H H 76 9.200 9.200 8.426 0.774 18978 430 1 . 1 1 77 77 GLU N N 77 118.600 118.600 122.168 -3.568 18978 431 1 . 1 1 77 77 GLU HA H 77 5.320 5.320 4.546 0.774 18978 432 1 . 1 1 77 77 GLU C C 77 174.900 174.900 175.005 -0.105 18978 433 1 . 1 1 77 77 GLU CA C 77 54.090 54.090 55.820 -1.730 18978 434 1 . 1 1 77 77 GLU CB C 77 34.200 34.200 31.922 2.278 18978 435 1 . 1 1 77 77 GLU H H 77 8.010 8.010 8.522 -0.512 18978 436 1 . 1 1 78 78 ALA N N 78 124.500 124.500 125.056 -0.556 18978 437 1 . 1 1 78 78 ALA HA H 78 4.640 4.640 4.530 0.110 18978 438 1 . 1 1 78 78 ALA C C 78 175.500 175.500 176.798 -1.298 18978 439 1 . 1 1 78 78 ALA CA C 78 50.680 50.680 51.475 -0.795 18978 440 1 . 1 1 78 78 ALA CB C 78 20.810 20.810 20.316 0.494 18978 441 1 . 1 1 78 78 ALA H H 78 8.800 8.800 8.223 0.577 18978 442 1 . 1 1 79 79 LYS HA H 79 4.480 4.480 4.374 0.106 18978 443 1 . 1 1 79 79 LYS C C 79 174.700 174.700 175.601 -0.901 18978 444 1 . 1 1 79 79 LYS CA C 79 56.100 56.100 56.219 -0.120 18978 445 1 . 1 1 79 79 LYS CB C 79 30.940 30.940 32.557 -1.617 18978 446 1 . 1 1 80 80 ILE N N 80 127.300 127.300 124.321 2.979 18978 447 1 . 1 1 80 80 ILE HA H 80 4.080 4.080 4.261 -0.181 18978 448 1 . 1 1 80 80 ILE C C 80 172.700 172.700 174.961 -2.261 18978 449 1 . 1 1 80 80 ILE CA C 80 59.940 59.940 60.272 -0.332 18978 450 1 . 1 1 80 80 ILE CB C 80 40.930 40.930 38.890 2.040 18978 451 1 . 1 1 80 80 ILE H H 80 7.380 7.380 8.489 -1.109 18978 452 1 . 1 1 81 81 LYS HA H 81 4.280 4.280 4.519 -0.239 18978 453 1 . 1 1 81 81 LYS CA C 81 56.120 56.120 55.975 0.145 18978 454 1 . 1 1 81 81 LYS CB C 81 32.750 32.750 33.144 -0.394 18978 455 1 . 1 1 82 82 GLY N N 82 113.000 113.000 112.725 0.275 18978 456 1 . 1 1 82 82 GLY C C 82 174.600 174.600 174.103 0.496 18978 457 1 . 1 1 82 82 GLY CA C 82 46.870 46.870 44.608 2.262 18978 458 1 . 1 1 82 82 GLY H H 82 8.210 8.210 8.730 -0.520 18978 459 1 . 1 1 83 83 ILE N N 83 121.200 121.200 119.046 2.154 18978 460 1 . 1 1 83 83 ILE HA H 83 3.340 3.340 3.875 -0.535 18978 461 1 . 1 1 83 83 ILE C C 83 175.000 175.000 176.352 -1.352 18978 462 1 . 1 1 83 83 ILE CA C 83 64.710 64.710 62.098 2.613 18978 463 1 . 1 1 83 83 ILE CB C 83 37.490 37.490 37.958 -0.468 18978 464 1 . 1 1 83 83 ILE H H 83 8.350 8.350 8.069 0.281 18978 465 1 . 1 1 84 84 LYS N N 84 129.400 129.400 128.754 0.646 18978 466 1 . 1 1 84 84 LYS HA H 84 4.490 4.490 4.354 0.136 18978 467 1 . 1 1 84 84 LYS C C 84 175.000 175.000 176.302 -1.302 18978 468 1 . 1 1 84 84 LYS CA C 84 56.070 56.070 57.047 -0.977 18978 469 1 . 1 1 84 84 LYS CB C 84 34.490 34.490 34.145 0.345 18978 470 1 . 1 1 84 84 LYS H H 84 9.160 9.160 8.693 0.467 18978 471 1 . 1 1 85 85 ASP N N 85 117.500 117.500 117.300 0.200 18978 472 1 . 1 1 85 85 ASP HA H 85 4.780 4.780 4.897 -0.117 18978 473 1 . 1 1 85 85 ASP C C 85 173.200 173.200 173.741 -0.541 18978 474 1 . 1 1 85 85 ASP CA C 85 53.090 53.090 53.923 -0.833 18978 475 1 . 1 1 85 85 ASP CB C 85 44.490 44.490 45.288 -0.798 18978 476 1 . 1 1 85 85 ASP H H 85 7.990 7.990 7.841 0.149 18978 477 1 . 1 1 86 86 VAL N N 86 119.400 119.400 121.783 -2.383 18978 478 1 . 1 1 86 86 VAL HA H 86 5.170 5.170 4.564 0.606 18978 479 1 . 1 1 86 86 VAL C C 86 172.500 172.500 175.110 -2.610 18978 480 1 . 1 1 86 86 VAL CA C 86 59.750 59.750 61.018 -1.268 18978 481 1 . 1 1 86 86 VAL CB C 86 35.160 35.160 34.185 0.975 18978 482 1 . 1 1 86 86 VAL H H 86 8.210 8.210 8.440 -0.230 18978 483 1 . 1 1 87 87 ILE N N 87 127.100 127.100 128.009 -0.909 18978 484 1 . 1 1 87 87 ILE HA H 87 4.210 4.210 4.458 -0.248 18978 485 1 . 1 1 87 87 ILE C C 87 173.600 173.600 174.318 -0.718 18978 486 1 . 1 1 87 87 ILE CA C 87 60.470 60.470 59.883 0.587 18978 487 1 . 1 1 87 87 ILE CB C 87 41.490 41.490 40.072 1.418 18978 488 1 . 1 1 87 87 ILE H H 87 9.190 9.190 8.731 0.459 18978 489 1 . 1 1 88 88 LEU N N 88 125.700 125.700 128.470 -2.770 18978 490 1 . 1 1 88 88 LEU HA H 88 5.040 5.040 4.734 0.306 18978 491 1 . 1 1 88 88 LEU C C 88 174.500 174.500 175.427 -0.927 18978 492 1 . 1 1 88 88 LEU CA C 88 52.940 52.940 54.104 -1.164 18978 493 1 . 1 1 88 88 LEU CB C 88 43.510 43.510 44.418 -0.908 18978 494 1 . 1 1 88 88 LEU H H 88 7.840 7.840 8.457 -0.617 18978 495 1 . 1 1 89 89 ASP N N 89 127.800 127.800 124.532 3.268 18978 496 1 . 1 1 89 89 ASP HA H 89 4.770 4.770 4.980 -0.210 18978 497 1 . 1 1 89 89 ASP C C 89 174.100 174.100 176.444 -2.344 18978 498 1 . 1 1 89 89 ASP CA C 89 52.620 52.620 52.460 0.160 18978 499 1 . 1 1 89 89 ASP CB C 89 44.070 44.070 44.343 -0.273 18978 500 1 . 1 1 89 89 ASP H H 89 8.280 8.280 8.694 -0.414 18978 501 1 . 1 1 90 90 GLU N N 90 122.400 122.400 123.380 -0.980 18978 502 1 . 1 1 90 90 GLU HA H 90 3.850 3.850 4.046 -0.196 18978 503 1 . 1 1 90 90 GLU CA C 90 58.830 58.830 59.213 -0.383 18978 504 1 . 1 1 90 90 GLU CB C 90 29.410 29.410 29.857 -0.447 18978 505 1 . 1 1 90 90 GLU H H 90 8.980 8.980 8.767 0.213 18978 506 1 . 1 1 91 91 ASN HA H 91 4.280 4.280 4.897 -0.617 18978 507 1 . 1 1 91 91 ASN C C 91 173.600 173.600 173.641 -0.041 18978 508 1 . 1 1 91 91 ASN CA C 91 54.160 54.160 52.728 1.432 18978 509 1 . 1 1 91 91 ASN CB C 91 39.900 39.900 39.915 -0.015 18978 510 1 . 1 1 92 92 LEU N N 92 117.400 117.400 119.926 -2.526 18978 511 1 . 1 1 92 92 LEU HA H 92 5.030 5.030 4.699 0.331 18978 512 1 . 1 1 92 92 LEU C C 92 174.700 174.700 174.030 0.670 18978 513 1 . 1 1 92 92 LEU CA C 92 53.700 53.700 55.027 -1.327 18978 514 1 . 1 1 92 92 LEU CB C 92 47.250 47.250 46.691 0.559 18978 515 1 . 1 1 92 92 LEU H H 92 7.110 7.110 7.831 -0.721 18978 516 1 . 1 1 93 93 ILE N N 93 121.300 121.300 122.428 -1.128 18978 517 1 . 1 1 93 93 ILE HA H 93 4.450 4.450 4.545 -0.096 18978 518 1 . 1 1 93 93 ILE C C 93 174.000 174.000 174.333 -0.333 18978 519 1 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.733 0.237 18978 520 1 . 1 1 93 93 ILE CB C 93 40.630 40.630 40.558 0.072 18978 521 1 . 1 1 93 93 ILE H H 93 8.450 8.450 8.530 -0.080 18978 522 1 . 1 1 94 94 VAL N N 94 128.000 128.000 127.984 0.016 18978 523 1 . 1 1 94 94 VAL HA H 94 4.840 4.840 4.950 -0.110 18978 524 1 . 1 1 94 94 VAL C C 94 174.000 174.000 174.630 -0.630 18978 525 1 . 1 1 94 94 VAL CA C 94 61.100 61.100 60.812 0.288 18978 526 1 . 1 1 94 94 VAL CB C 94 32.120 32.120 34.018 -1.898 18978 527 1 . 1 1 94 94 VAL H H 94 8.970 8.970 8.484 0.486 18978 528 1 . 1 1 95 95 VAL N N 95 127.700 127.700 127.207 0.493 18978 529 1 . 1 1 95 95 VAL HA H 95 4.670 4.670 4.580 0.090 18978 530 1 . 1 1 95 95 VAL C C 95 173.300 173.300 174.624 -1.324 18978 531 1 . 1 1 95 95 VAL CA C 95 60.840 60.840 61.146 -0.306 18978 532 1 . 1 1 95 95 VAL CB C 95 34.240 34.240 34.888 -0.648 18978 533 1 . 1 1 95 95 VAL H H 95 9.420 9.420 8.597 0.823 18978 534 1 . 1 1 96 96 ILE N N 96 126.000 126.000 127.263 -1.263 18978 535 1 . 1 1 96 96 ILE HA H 96 5.220 5.220 4.973 0.247 18978 536 1 . 1 1 96 96 ILE C C 96 177.100 177.100 175.612 1.488 18978 537 1 . 1 1 96 96 ILE CA C 96 59.570 59.570 59.811 -0.241 18978 538 1 . 1 1 96 96 ILE CB C 96 40.750 40.750 40.356 0.394 18978 539 1 . 1 1 96 96 ILE H H 96 8.460 8.460 8.744 -0.284 18978 540 1 . 1 1 97 97 THR N N 97 118.100 118.100 118.076 0.024 18978 541 1 . 1 1 97 97 THR HA H 97 5.250 5.250 4.853 0.397 18978 542 1 . 1 1 97 97 THR C C 97 176.300 176.300 175.829 0.471 18978 543 1 . 1 1 97 97 THR CA C 97 59.650 59.650 59.772 -0.122 18978 544 1 . 1 1 97 97 THR CB C 97 71.890 71.890 71.406 0.483 18978 545 1 . 1 1 97 97 THR H H 97 9.050 9.050 8.475 0.575 18978 546 1 . 1 1 98 98 GLU N N 98 120.100 120.100 122.899 -2.799 18978 547 1 . 1 1 98 98 GLU HA H 98 4.120 4.120 3.967 0.153 18978 548 1 . 1 1 98 98 GLU C C 98 176.200 176.200 177.672 -1.472 18978 549 1 . 1 1 98 98 GLU CA C 98 57.890 57.890 59.521 -1.631 18978 550 1 . 1 1 98 98 GLU CB C 98 29.530 29.530 29.584 -0.054 18978 551 1 . 1 1 98 98 GLU H H 98 9.220 9.220 8.304 0.916 18978 552 1 . 1 1 99 99 GLU HA H 99 4.150 4.150 4.302 -0.152 18978 553 1 . 1 1 99 99 GLU C C 99 174.200 174.200 175.744 -1.544 18978 554 1 . 1 1 99 99 GLU CA C 99 58.210 58.210 56.137 2.073 18978 555 1 . 1 1 99 99 GLU CB C 99 29.870 29.870 28.865 1.005 18978 556 1 . 1 1 100 100 ASN N N 100 113.200 113.200 114.672 -1.472 18978 557 1 . 1 1 100 100 ASN HA H 100 4.110 4.110 4.392 -0.282 18978 558 1 . 1 1 100 100 ASN C C 100 173.700 173.700 173.472 0.228 18978 559 1 . 1 1 100 100 ASN CA C 100 54.400 54.400 54.512 -0.112 18978 560 1 . 1 1 100 100 ASN CB C 100 35.860 35.860 36.376 -0.516 18978 561 1 . 1 1 100 100 ASN H H 100 8.020 8.020 8.117 -0.097 18978 562 1 . 1 1 101 101 GLU N N 101 115.500 115.500 118.121 -2.620 18978 563 1 . 1 1 101 101 GLU HA H 101 5.150 5.150 4.787 0.363 18978 564 1 . 1 1 101 101 GLU C C 101 174.900 174.900 174.437 0.463 18978 565 1 . 1 1 101 101 GLU CA C 101 55.050 55.050 55.110 -0.060 18978 566 1 . 1 1 101 101 GLU CB C 101 31.400 31.400 33.320 -1.920 18978 567 1 . 1 1 101 101 GLU H H 101 7.230 7.230 7.343 -0.113 18978 568 1 . 1 1 102 102 VAL N N 102 122.700 122.700 124.379 -1.679 18978 569 1 . 1 1 102 102 VAL HA H 102 4.920 4.920 4.609 0.311 18978 570 1 . 1 1 102 102 VAL C C 102 173.700 173.700 174.398 -0.698 18978 571 1 . 1 1 102 102 VAL CA C 102 60.920 60.920 61.305 -0.385 18978 572 1 . 1 1 102 102 VAL CB C 102 33.810 33.810 33.480 0.331 18978 573 1 . 1 1 102 102 VAL H H 102 8.710 8.710 8.761 -0.051 18978 574 1 . 1 1 103 103 LEU N N 103 127.300 127.300 128.167 -0.867 18978 575 1 . 1 1 103 103 LEU HA H 103 4.300 4.300 4.820 -0.520 18978 576 1 . 1 1 103 103 LEU C C 103 174.500 174.500 175.383 -0.883 18978 577 1 . 1 1 103 103 LEU CA C 103 53.820 53.820 53.727 0.093 18978 578 1 . 1 1 103 103 LEU H H 103 9.140 9.140 8.451 0.689 18978 579 1 . 1 1 104 104 ILE N N 104 122.200 122.200 121.668 0.532 18978 580 1 . 1 1 104 104 ILE HA H 104 4.740 4.740 4.682 0.058 18978 581 1 . 1 1 104 104 ILE C C 104 173.600 173.600 174.536 -0.936 18978 582 1 . 1 1 104 104 ILE CA C 104 60.220 60.220 60.419 -0.199 18978 583 1 . 1 1 104 104 ILE CB C 104 39.150 39.150 39.608 -0.458 18978 584 1 . 1 1 104 104 ILE H H 104 8.470 8.470 8.247 0.223 18978 585 1 . 1 1 105 105 PHE N N 105 126.600 126.600 125.399 1.201 18978 586 1 . 1 1 105 105 PHE HA H 105 5.570 5.570 5.688 -0.118 18978 587 1 . 1 1 105 105 PHE C C 105 175.800 175.800 175.284 0.516 18978 588 1 . 1 1 105 105 PHE CA C 105 55.450 55.450 55.822 -0.372 18978 589 1 . 1 1 105 105 PHE CB C 105 43.670 43.670 42.498 1.172 18978 590 1 . 1 1 105 105 PHE H H 105 9.330 9.330 9.077 0.253 18978 591 1 . 1 1 106 106 ASN N N 106 116.000 116.000 118.420 -2.420 18978 592 1 . 1 1 106 106 ASN HA H 106 5.470 5.470 5.040 0.430 18978 593 1 . 1 1 106 106 ASN C C 106 176.700 176.700 177.010 -0.310 18978 594 1 . 1 1 106 106 ASN CA C 106 50.500 50.500 51.172 -0.672 18978 595 1 . 1 1 106 106 ASN CB C 106 38.600 38.600 39.527 -0.927 18978 596 1 . 1 1 106 106 ASN H H 106 7.710 7.710 8.271 -0.561 18978 597 1 . 1 1 107 107 GLN N N 107 114.500 114.500 119.537 -5.037 18978 598 1 . 1 1 107 107 GLN HA H 107 3.890 3.890 4.052 -0.162 18978 599 1 . 1 1 107 107 GLN C C 107 173.700 173.700 176.219 -2.519 18978 600 1 . 1 1 107 107 GLN CA C 107 57.510 57.510 58.860 -1.350 18978 601 1 . 1 1 107 107 GLN CB C 107 27.090 27.090 28.488 -1.398 18978 602 1 . 1 1 107 107 GLN H H 107 8.040 8.040 8.782 -0.742 18978 603 1 . 1 1 108 108 ASN N N 108 115.800 115.800 115.825 -0.025 18978 604 1 . 1 1 108 108 ASN HA H 108 4.670 4.670 4.632 0.038 18978 605 1 . 1 1 108 108 ASN C C 108 173.600 173.600 175.105 -1.505 18978 606 1 . 1 1 108 108 ASN CA C 108 52.090 52.090 52.929 -0.839 18978 607 1 . 1 1 108 108 ASN CB C 108 38.860 38.860 38.359 0.501 18978 608 1 . 1 1 108 108 ASN H H 108 7.440 7.440 8.156 -0.716 18978 609 1 . 1 1 109 109 LEU N N 109 115.200 115.200 118.790 -3.590 18978 610 1 . 1 1 109 109 LEU HA H 109 3.530 3.530 3.835 -0.305 18978 611 1 . 1 1 109 109 LEU C C 109 174.700 174.700 175.184 -0.484 18978 612 1 . 1 1 109 109 LEU CA C 109 55.770 55.770 56.122 -0.352 18978 613 1 . 1 1 109 109 LEU CB C 109 38.700 38.700 39.999 -1.299 18978 614 1 . 1 1 109 109 LEU H H 109 8.220 8.220 7.675 0.545 18978 615 1 . 1 1 110 110 GLU N N 110 117.600 117.600 118.885 -1.285 18978 616 1 . 1 1 110 110 GLU HA H 110 4.420 4.420 4.717 -0.297 18978 617 1 . 1 1 110 110 GLU C C 110 175.800 175.800 175.680 0.120 18978 618 1 . 1 1 110 110 GLU CA C 110 55.180 55.180 54.810 0.370 18978 619 1 . 1 1 110 110 GLU CB C 110 28.820 28.820 31.961 -3.141 18978 620 1 . 1 1 110 110 GLU H H 110 7.550 7.550 8.246 -0.696 18978 621 1 . 1 1 111 111 GLU N N 111 125.900 125.900 123.080 2.820 18978 622 1 . 1 1 111 111 GLU HA H 111 3.830 3.830 4.127 -0.297 18978 623 1 . 1 1 111 111 GLU C C 111 175.400 175.400 176.083 -0.683 18978 624 1 . 1 1 111 111 GLU CA C 111 56.640 56.640 57.197 -0.557 18978 625 1 . 1 1 111 111 GLU CB C 111 30.620 30.620 29.782 0.839 18978 626 1 . 1 1 111 111 GLU H H 111 8.350 8.350 8.916 -0.566 18978 627 1 . 1 1 112 112 LEU N N 112 128.000 128.000 127.601 0.399 18978 628 1 . 1 1 112 112 LEU HA H 112 4.270 4.270 4.461 -0.191 18978 629 1 . 1 1 112 112 LEU C C 112 176.100 176.100 176.537 -0.438 18978 630 1 . 1 1 112 112 LEU CA C 112 55.030 55.030 55.431 -0.401 18978 631 1 . 1 1 112 112 LEU CB C 112 42.770 42.770 44.002 -1.232 18978 632 1 . 1 1 112 112 LEU H H 112 9.110 9.110 8.288 0.822 18978 633 1 . 1 1 113 113 TYR N N 113 116.300 116.300 119.475 -3.175 18978 634 1 . 1 1 113 113 TYR HA H 113 4.330 4.330 4.655 -0.325 18978 635 1 . 1 1 113 113 TYR C C 113 171.700 171.700 172.981 -1.281 18978 636 1 . 1 1 113 113 TYR CA C 113 57.960 57.960 57.414 0.546 18978 637 1 . 1 1 113 113 TYR CB C 113 41.720 41.720 42.133 -0.413 18978 638 1 . 1 1 113 113 TYR H H 113 7.250 7.250 7.459 -0.209 18978 639 1 . 1 1 114 114 ARG N N 114 126.200 126.200 125.907 0.293 18978 640 1 . 1 1 114 114 ARG HA H 114 5.020 5.020 4.926 0.094 18978 641 1 . 1 1 114 114 ARG C C 114 173.500 173.500 174.356 -0.856 18978 642 1 . 1 1 114 114 ARG CA C 114 54.620 54.620 54.777 -0.157 18978 643 1 . 1 1 114 114 ARG CB C 114 33.450 33.450 32.638 0.812 18978 644 1 . 1 1 114 114 ARG H H 114 6.560 6.560 7.928 -1.368 18978 645 1 . 1 1 115 115 GLY N N 115 111.300 111.300 111.889 -0.589 18978 646 1 . 1 1 115 115 GLY C C 115 178.100 178.100 171.280 6.820 18978 647 1 . 1 1 115 115 GLY CA C 115 44.410 44.410 44.730 -0.320 18978 648 1 . 1 1 115 115 GLY H H 115 8.320 8.320 8.335 -0.015 18978 649 1 . 1 1 116 116 LYS HA H 116 4.770 4.770 4.531 0.239 18978 650 1 . 1 1 116 116 LYS C C 116 174.400 174.400 174.705 -0.305 18978 651 1 . 1 1 116 116 LYS CA C 116 55.190 55.190 55.161 0.029 18978 652 1 . 1 1 116 116 LYS CB C 116 34.340 34.340 35.063 -0.723 18978 653 1 . 1 1 117 117 PHE N N 117 125.800 125.800 123.739 2.061 18978 654 1 . 1 1 117 117 PHE HA H 117 4.550 4.550 4.847 -0.297 18978 655 1 . 1 1 117 117 PHE C C 117 174.000 174.000 176.227 -2.227 18978 656 1 . 1 1 117 117 PHE CA C 117 56.850 56.850 56.879 -0.029 18978 657 1 . 1 1 117 117 PHE CB C 117 41.160 41.160 40.786 0.374 18978 658 1 . 1 1 117 117 PHE H H 117 8.090 8.090 8.544 -0.454 18978 659 1 . 1 1 119 119 ASN HA H 119 4.660 4.660 4.838 -0.178 18978 660 1 . 1 1 119 119 ASN C C 119 173.500 173.500 174.286 -0.786 18978 661 1 . 1 1 119 119 ASN CA C 119 52.480 52.480 52.601 -0.121 18978 662 1 . 1 1 119 119 ASN CB C 119 38.190 38.190 38.348 -0.158 18978 663 1 . 1 1 120 120 LEU N N 120 120.200 120.200 122.035 -1.835 18978 664 1 . 1 1 120 120 LEU HA H 120 3.830 3.830 4.075 -0.245 18978 665 1 . 1 1 120 120 LEU C C 120 175.000 175.000 176.005 -1.005 18978 666 1 . 1 1 120 120 LEU CA C 120 56.270 56.270 56.291 -0.021 18978 667 1 . 1 1 120 120 LEU CB C 120 42.770 42.770 42.082 0.688 18978 668 1 . 1 1 120 120 LEU H H 120 6.900 6.900 7.648 -0.748 18978 669 1 . 1 1 121 121 ASN N N 121 124.200 124.200 124.714 -0.514 18978 670 1 . 1 1 121 121 ASN HA H 121 4.890 4.890 4.875 0.015 18978 671 1 . 1 1 121 121 ASN C C 121 174.300 174.300 175.153 -0.853 18978 672 1 . 1 1 121 121 ASN CA C 121 53.880 53.880 54.193 -0.313 18978 673 1 . 1 1 121 121 ASN CB C 121 40.440 40.440 40.623 -0.183 18978 674 1 . 1 1 121 121 ASN H H 121 8.900 8.900 8.574 0.326 18978 675 1 . 1 1 122 122 LYS N N 122 115.100 115.100 119.431 -4.331 18978 676 1 . 1 1 122 122 LYS HA H 122 4.470 4.470 4.606 -0.136 18978 677 1 . 1 1 122 122 LYS C C 122 172.500 172.500 174.100 -1.600 18978 678 1 . 1 1 122 122 LYS CA C 122 55.700 55.700 55.582 0.118 18978 679 1 . 1 1 122 122 LYS CB C 122 35.660 35.660 36.452 -0.792 18978 680 1 . 1 1 122 122 LYS H H 122 7.410 7.410 7.798 -0.388 18978 681 1 . 1 1 123 123 VAL N N 123 121.500 121.500 121.468 0.032 18978 682 1 . 1 1 123 123 VAL HA H 123 4.820 4.820 4.453 0.367 18978 683 1 . 1 1 123 123 VAL C C 123 173.400 173.400 175.101 -1.701 18978 684 1 . 1 1 123 123 VAL CA C 123 60.690 60.690 61.277 -0.587 18978 685 1 . 1 1 123 123 VAL CB C 123 34.150 34.150 33.350 0.800 18978 686 1 . 1 1 123 123 VAL H H 123 7.730 7.730 8.404 -0.674 18978 687 1 . 1 1 124 124 LEU N N 124 126.600 126.600 129.771 -3.171 18978 688 1 . 1 1 124 124 LEU HA H 124 4.720 4.720 4.845 -0.125 18978 689 1 . 1 1 124 124 LEU C C 124 174.200 174.200 174.907 -0.707 18978 690 1 . 1 1 124 124 LEU CA C 124 53.380 53.380 54.177 -0.797 18978 691 1 . 1 1 124 124 LEU CB C 124 45.110 45.110 44.960 0.150 18978 692 1 . 1 1 124 124 LEU H H 124 9.060 9.060 8.480 0.580 18978 693 1 . 1 1 125 125 VAL N N 125 120.300 120.300 121.712 -1.412 18978 694 1 . 1 1 125 125 VAL HA H 125 4.670 4.670 4.584 0.086 18978 695 1 . 1 1 125 125 VAL C C 125 174.700 174.700 174.785 -0.085 18978 696 1 . 1 1 125 125 VAL CA C 125 60.290 60.290 60.672 -0.381 18978 697 1 . 1 1 125 125 VAL CB C 125 34.250 34.250 34.194 0.056 18978 698 1 . 1 1 125 125 VAL H H 125 8.030 8.030 8.411 -0.381 18978 699 1 . 1 1 126 126 ARG N N 126 127.100 127.100 126.301 0.799 18978 700 1 . 1 1 126 126 ARG HA H 126 4.470 4.470 4.808 -0.338 18978 701 1 . 1 1 126 126 ARG C C 126 174.400 174.400 175.380 -0.980 18978 702 1 . 1 1 126 126 ARG CA C 126 55.830 55.830 54.547 1.283 18978 703 1 . 1 1 126 126 ARG CB C 126 31.300 31.300 32.858 -1.558 18978 704 1 . 1 1 126 126 ARG H H 126 8.630 8.630 8.429 0.201 18978 705 1 . 1 1 127 127 ASN HA H 127 4.290 4.290 4.348 -0.058 18978 706 1 . 1 1 127 127 ASN C C 127 172.600 172.600 174.580 -1.980 18978 707 1 . 1 1 127 127 ASN CA C 127 56.060 56.060 55.624 0.436 18978 708 1 . 1 1 127 127 ASN CB C 127 36.950 36.950 37.824 -0.874 18978 709 1 . 1 1 128 128 ASP N N 128 117.600 117.600 119.608 -2.008 18978 710 1 . 1 1 128 128 ASP HA H 128 4.450 4.450 4.606 -0.156 18978 711 1 . 1 1 128 128 ASP C C 128 174.000 174.000 175.204 -1.204 18978 712 1 . 1 1 128 128 ASP CA C 128 53.520 53.520 54.165 -0.645 18978 713 1 . 1 1 128 128 ASP CB C 128 39.810 39.810 41.081 -1.271 18978 714 1 . 1 1 128 128 ASP H H 128 8.560 8.560 8.410 0.150 18978 715 1 . 1 1 129 129 LEU N N 129 121.500 121.500 120.963 0.537 18978 716 1 . 1 1 129 129 LEU HA H 129 5.070 5.070 4.675 0.395 18978 717 1 . 1 1 129 129 LEU C C 129 174.800 174.800 174.546 0.254 18978 718 1 . 1 1 129 129 LEU CA C 129 53.800 53.800 54.357 -0.557 18978 719 1 . 1 1 129 129 LEU CB C 129 45.120 45.120 44.925 0.195 18978 720 1 . 1 1 129 129 LEU H H 129 7.730 7.730 7.740 -0.010 18978 721 1 . 1 1 130 130 VAL N N 130 120.600 120.600 123.228 -2.628 18978 722 1 . 1 1 130 130 VAL HA H 130 4.710 4.710 4.583 0.127 18978 723 1 . 1 1 130 130 VAL C C 130 173.500 173.500 173.895 -0.395 18978 724 1 . 1 1 130 130 VAL CA C 130 60.520 60.520 60.467 0.053 18978 725 1 . 1 1 130 130 VAL CB C 130 33.750 33.750 34.833 -1.083 18978 726 1 . 1 1 130 130 VAL H H 130 8.410 8.410 8.109 0.301 18978 727 1 . 1 1 131 131 VAL HA H 131 4.600 4.600 4.816 -0.216 18978 728 1 . 1 1 131 131 VAL CA C 131 60.590 60.590 60.417 0.173 18978 729 1 . 1 1 131 131 VAL CB C 131 33.860 33.860 35.536 -1.676 18978 730 1 . 1 1 132 132 ILE HA H 132 4.300 4.300 4.367 -0.067 18978 731 1 . 1 1 132 132 ILE C C 132 174.900 174.900 174.355 0.545 18978 732 1 . 1 1 132 132 ILE CA C 132 60.480 60.480 60.174 0.306 18978 733 1 . 1 1 132 132 ILE CB C 132 40.050 40.050 40.498 -0.448 18978 734 1 . 1 1 133 133 ILE N N 133 126.200 126.200 126.944 -0.744 18978 735 1 . 1 1 133 133 ILE HA H 133 4.670 4.670 4.446 0.224 18978 736 1 . 1 1 133 133 ILE C C 133 174.200 174.200 174.137 0.063 18978 737 1 . 1 1 133 133 ILE CA C 133 59.930 59.930 58.573 1.357 18978 738 1 . 1 1 133 133 ILE CB C 133 39.120 39.120 37.878 1.242 18978 739 1 . 1 1 133 133 ILE H H 133 8.490 8.490 8.536 -0.046 18978 740 1 . 1 1 134 134 ASP N N 134 130.100 130.100 125.555 4.545 18978 741 1 . 1 1 134 134 ASP HA H 134 4.950 4.950 5.230 -0.280 18978 742 1 . 1 1 134 134 ASP C C 134 174.600 174.600 176.616 -2.016 18978 743 1 . 1 1 134 134 ASP CA C 134 52.390 52.390 52.046 0.344 18978 744 1 . 1 1 134 134 ASP CB C 134 43.370 43.370 43.975 -0.605 18978 745 1 . 1 1 134 134 ASP H H 134 8.360 8.360 8.172 0.188 18978 746 1 . 1 1 135 135 GLU N N 135 118.000 118.000 121.212 -3.212 18978 747 1 . 1 1 135 135 GLU HA H 135 4.210 4.210 3.932 0.278 18978 748 1 . 1 1 135 135 GLU C C 135 176.200 176.200 177.361 -1.161 18978 749 1 . 1 1 135 135 GLU CA C 135 58.750 58.750 59.202 -0.452 18978 750 1 . 1 1 135 135 GLU CB C 135 30.290 30.290 29.709 0.581 18978 751 1 . 1 1 135 135 GLU H H 135 7.840 7.840 8.536 -0.696 18978 752 1 . 1 1 136 136 GLN N N 136 115.200 115.200 115.568 -0.368 18978 753 1 . 1 1 136 136 GLN HA H 136 4.870 4.870 4.274 0.596 18978 754 1 . 1 1 136 136 GLN C C 136 174.900 174.900 175.738 -0.838 18978 755 1 . 1 1 136 136 GLN CA C 136 55.500 55.500 56.708 -1.208 18978 756 1 . 1 1 136 136 GLN CB C 136 30.930 30.930 30.036 0.894 18978 757 1 . 1 1 136 136 GLN H H 136 8.860 8.860 8.202 0.658 18978 758 1 . 1 1 137 137 LYS N N 137 118.100 118.100 116.064 2.036 18978 759 1 . 1 1 137 137 LYS HA H 137 4.910 4.910 4.508 0.402 18978 760 1 . 1 1 137 137 LYS C C 137 172.400 172.400 173.776 -1.376 18978 761 1 . 1 1 137 137 LYS CA C 137 55.900 55.900 55.134 0.766 18978 762 1 . 1 1 137 137 LYS CB C 137 35.540 35.540 35.310 0.230 18978 763 1 . 1 1 137 137 LYS H H 137 8.260 8.260 8.020 0.240 18978 764 1 . 1 1 138 138 LEU N N 138 123.500 123.500 122.791 0.709 18978 765 1 . 1 1 138 138 LEU HA H 138 4.860 4.860 4.774 0.086 18978 766 1 . 1 1 138 138 LEU C C 138 174.400 174.400 176.026 -1.626 18978 767 1 . 1 1 138 138 LEU CA C 138 53.510 53.510 53.806 -0.296 18978 768 1 . 1 1 138 138 LEU CB C 138 44.960 44.960 44.531 0.429 18978 769 1 . 1 1 138 138 LEU H H 138 8.410 8.410 8.479 -0.069 18978 770 1 . 1 1 139 139 THR N N 139 123.600 123.600 123.281 0.319 18978 771 1 . 1 1 139 139 THR HA H 139 4.830 4.830 4.625 0.205 18978 772 1 . 1 1 139 139 THR C C 139 171.400 171.400 172.544 -1.144 18978 773 1 . 1 1 139 139 THR CA C 139 62.240 62.240 61.801 0.439 18978 774 1 . 1 1 139 139 THR CB C 139 70.120 70.120 70.042 0.078 18978 775 1 . 1 1 139 139 THR H H 139 8.820 8.820 8.315 0.505 18978 776 1 . 1 1 140 140 LEU N N 140 130.500 130.500 129.113 1.387 18978 777 1 . 1 1 140 140 LEU HA H 140 5.030 5.030 4.614 0.416 18978 778 1 . 1 1 140 140 LEU C C 140 173.700 173.700 175.269 -1.569 18978 779 1 . 1 1 140 140 LEU CA C 140 53.380 53.380 54.297 -0.917 18978 780 1 . 1 1 140 140 LEU CB C 140 44.890 44.890 43.969 0.921 18978 781 1 . 1 1 140 140 LEU H H 140 9.250 9.250 8.639 0.611 18978 782 1 . 1 1 141 141 ILE N N 141 127.300 127.300 127.916 -0.616 18978 783 1 . 1 1 141 141 ILE HA H 141 4.660 4.660 4.340 0.320 18978 784 1 . 1 1 141 141 ILE C C 141 174.200 174.200 174.249 -0.049 18978 785 1 . 1 1 141 141 ILE CA C 141 59.510 59.510 60.495 -0.985 18978 786 1 . 1 1 141 141 ILE CB C 141 38.850 38.850 40.057 -1.207 18978 787 1 . 1 1 141 141 ILE H H 141 9.140 9.140 8.542 0.598 18978 788 1 . 1 1 142 142 ARG N N 142 126.500 126.500 127.518 -1.018 18978 789 1 . 1 1 142 142 ARG HA H 142 4.880 4.880 4.605 0.275 18978 790 1 . 1 1 142 142 ARG C C 142 175.100 175.100 175.818 -0.718 18978 791 1 . 1 1 142 142 ARG CA C 142 54.540 54.540 55.278 -0.738 18978 792 1 . 1 1 142 142 ARG CB C 142 31.500 31.500 31.879 -0.379 18978 793 1 . 1 1 142 142 ARG H H 142 8.550 8.550 8.716 -0.166 18978 stop_ save_