data_19750 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19750 _Entry.PDB_ID 2MK3 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 19750 _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 2 110.890 110.890 112.492 -1.602 19750 2 1 1 . 1 1 2 2 GLY C C 2 174.890 174.890 174.421 0.469 19750 3 1 1 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.821 0.729 19750 4 1 1 . 1 1 2 2 GLY H H 2 8.294 8.294 8.103 0.191 19750 5 1 1 . 1 1 3 3 ILE N N 3 120.800 120.800 120.932 -0.132 19750 6 1 1 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.771 0.261 19750 7 1 1 . 1 1 3 3 ILE C C 3 176.740 176.740 177.355 -0.615 19750 8 1 1 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.714 -1.474 19750 9 1 1 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.161 -0.701 19750 10 1 1 . 1 1 3 3 ILE H H 3 7.861 7.861 8.101 -0.240 19750 11 1 1 . 1 1 4 4 VAL N N 4 121.090 121.090 117.009 4.081 19750 12 1 1 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.724 0.159 19750 13 1 1 . 1 1 4 4 VAL C C 4 176.990 176.990 177.681 -0.691 19750 14 1 1 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.477 -1.857 19750 15 1 1 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.977 -0.806 19750 16 1 1 . 1 1 4 4 VAL H H 4 7.857 7.857 7.878 -0.021 19750 17 1 1 . 1 1 5 5 GLN N N 5 121.380 121.380 119.947 1.433 19750 18 1 1 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.835 0.400 19750 19 1 1 . 1 1 5 5 GLN C C 5 176.960 176.960 178.159 -1.199 19750 20 1 1 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.276 -2.526 19750 21 1 1 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.148 0.102 19750 22 1 1 . 1 1 5 5 GLN H H 5 8.051 8.051 8.343 -0.292 19750 23 1 1 . 1 1 6 6 GLN N N 6 119.480 119.480 118.117 1.363 19750 24 1 1 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.915 0.453 19750 25 1 1 . 1 1 6 6 GLN C C 6 176.720 176.720 178.714 -1.994 19750 26 1 1 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.994 -2.874 19750 27 1 1 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.321 -0.101 19750 28 1 1 . 1 1 6 6 GLN H H 6 8.018 8.018 7.813 0.205 19750 29 1 1 . 1 1 7 7 GLN N N 7 120.360 120.360 118.730 1.630 19750 30 1 1 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.002 0.187 19750 31 1 1 . 1 1 7 7 GLN C C 7 176.180 176.180 178.789 -2.609 19750 32 1 1 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.761 -1.911 19750 33 1 1 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.325 -0.245 19750 34 1 1 . 1 1 7 7 GLN H H 7 8.151 8.151 7.817 0.334 19750 35 1 1 . 1 1 8 8 ASN N N 8 119.230 119.230 118.261 0.969 19750 36 1 1 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.588 -0.136 19750 37 1 1 . 1 1 8 8 ASN C C 8 176.300 176.300 177.692 -1.392 19750 38 1 1 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.394 -0.594 19750 39 1 1 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.236 -0.036 19750 40 1 1 . 1 1 8 8 ASN H H 8 8.256 8.256 8.583 -0.327 19750 41 1 1 . 1 1 9 9 ASN N N 9 119.840 119.840 120.385 -0.545 19750 42 1 1 . 1 1 9 9 ASN C C 9 177.150 177.150 177.507 -0.357 19750 43 1 1 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.461 -0.521 19750 44 1 1 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.375 -0.695 19750 45 1 1 . 1 1 9 9 ASN H H 9 8.319 8.319 8.602 -0.283 19750 46 1 1 . 1 1 10 10 LEU N N 10 122.900 122.900 121.958 0.942 19750 47 1 1 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.040 0.094 19750 48 1 1 . 1 1 10 10 LEU C C 10 178.050 178.050 178.163 -0.113 19750 49 1 1 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.381 -0.691 19750 50 1 1 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.006 -1.246 19750 51 1 1 . 1 1 10 10 LEU H H 10 8.194 8.194 8.541 -0.347 19750 52 1 1 . 1 1 11 11 LEU N N 11 118.800 118.800 117.361 1.439 19750 53 1 1 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.084 -0.076 19750 54 1 1 . 1 1 11 11 LEU C C 11 178.830 178.830 178.706 0.124 19750 55 1 1 . 1 1 11 11 LEU CA C 11 57.670 57.670 56.822 0.848 19750 56 1 1 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.928 -1.698 19750 57 1 1 . 1 1 11 11 LEU H H 11 8.030 8.030 7.503 0.527 19750 58 1 1 . 1 1 12 12 ARG N N 12 117.710 117.710 118.754 -1.044 19750 59 1 1 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.103 -0.090 19750 60 1 1 . 1 1 12 12 ARG C C 12 178.840 178.840 178.510 0.330 19750 61 1 1 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.835 -0.215 19750 62 1 1 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.281 -1.231 19750 63 1 1 . 1 1 12 12 ARG H H 12 7.845 7.845 7.476 0.369 19750 64 1 1 . 1 1 13 13 ALA N N 13 121.870 121.870 122.926 -1.056 19750 65 1 1 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.077 0.117 19750 66 1 1 . 1 1 13 13 ALA C C 13 180.040 180.040 179.141 0.899 19750 67 1 1 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.987 -0.507 19750 68 1 1 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.328 -0.829 19750 69 1 1 . 1 1 13 13 ALA H H 13 7.681 7.681 8.552 -0.871 19750 70 1 1 . 1 1 14 14 ILE N N 14 118.010 118.010 119.009 -0.999 19750 71 1 1 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.680 0.053 19750 72 1 1 . 1 1 14 14 ILE C C 14 177.760 177.760 178.245 -0.485 19750 73 1 1 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.784 -0.445 19750 74 1 1 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.027 -0.827 19750 75 1 1 . 1 1 14 14 ILE H H 14 7.975 7.975 7.652 0.323 19750 76 1 1 . 1 1 15 15 GLU N N 15 117.430 117.430 118.500 -1.070 19750 77 1 1 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.359 -0.407 19750 78 1 1 . 1 1 15 15 GLU C C 15 177.030 177.030 178.265 -1.235 19750 79 1 1 . 1 1 15 15 GLU CA C 15 57.920 57.920 59.019 -1.099 19750 80 1 1 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.606 -2.186 19750 81 1 1 . 1 1 15 15 GLU H H 15 8.110 8.110 8.060 0.050 19750 82 1 1 . 1 1 16 16 ALA N N 16 119.580 119.580 121.188 -1.608 19750 83 1 1 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.276 0.067 19750 84 1 1 . 1 1 16 16 ALA C C 16 178.570 178.570 176.847 1.723 19750 85 1 1 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.908 -0.258 19750 86 1 1 . 1 1 16 16 ALA CB C 16 18.080 18.080 16.976 1.104 19750 87 1 1 . 1 1 16 16 ALA H H 16 7.457 7.457 7.980 -0.523 19750 88 1 1 . 1 1 17 17 GLN N N 17 118.840 118.840 113.563 5.277 19750 89 1 1 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.435 -0.004 19750 90 1 1 . 1 1 17 17 GLN C C 17 176.160 176.160 176.946 -0.786 19750 91 1 1 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.579 -0.949 19750 92 1 1 . 1 1 17 17 GLN CB C 17 26.380 26.380 28.675 -2.295 19750 93 1 1 . 1 1 17 17 GLN H H 17 7.642 7.642 8.167 -0.525 19750 94 1 1 . 1 1 18 18 GLN N N 18 120.730 120.730 121.058 -0.328 19750 95 1 1 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.974 0.043 19750 96 1 1 . 1 1 18 18 GLN C C 18 177.480 177.480 177.384 0.096 19750 97 1 1 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.499 -1.209 19750 98 1 1 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.785 -0.665 19750 99 1 1 . 1 1 18 18 GLN H H 18 7.975 7.975 7.714 0.261 19750 100 1 1 . 1 1 19 19 HIS N N 19 117.470 117.470 117.471 -0.001 19750 101 1 1 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.393 0.281 19750 102 1 1 . 1 1 19 19 HIS C C 19 176.330 176.330 177.201 -0.871 19750 103 1 1 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.329 -2.369 19750 104 1 1 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.327 -1.907 19750 105 1 1 . 1 1 19 19 HIS H H 19 8.697 8.697 8.609 0.088 19750 106 1 1 . 1 1 20 20 LEU N N 20 120.410 120.410 121.045 -0.635 19750 107 1 1 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.173 -0.123 19750 108 1 1 . 1 1 20 20 LEU C C 20 179.680 179.680 178.307 1.373 19750 109 1 1 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.352 0.388 19750 110 1 1 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.784 -0.954 19750 111 1 1 . 1 1 20 20 LEU H H 20 8.026 8.026 7.965 0.061 19750 112 1 1 . 1 1 21 21 LEU N N 21 121.930 121.930 119.106 2.824 19750 113 1 1 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.995 0.064 19750 114 1 1 . 1 1 21 21 LEU C C 21 178.540 178.540 179.387 -0.847 19750 115 1 1 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.398 -0.267 19750 116 1 1 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.840 -0.710 19750 117 1 1 . 1 1 21 21 LEU H H 21 8.433 8.433 7.631 0.802 19750 118 1 1 . 1 1 22 22 GLN N N 22 118.540 118.540 118.087 0.453 19750 119 1 1 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.199 -0.186 19750 120 1 1 . 1 1 22 22 GLN C C 22 179.430 179.430 178.627 0.803 19750 121 1 1 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.419 0.481 19750 122 1 1 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.583 -1.113 19750 123 1 1 . 1 1 22 22 GLN H H 22 8.087 8.087 7.572 0.515 19750 124 1 1 . 1 1 23 23 LEU N N 23 120.750 120.750 121.105 -0.355 19750 125 1 1 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.080 0.151 19750 126 1 1 . 1 1 23 23 LEU C C 23 178.420 178.420 178.824 -0.404 19750 127 1 1 . 1 1 23 23 LEU CA C 23 57.630 57.630 57.889 -0.259 19750 128 1 1 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.169 -0.879 19750 129 1 1 . 1 1 23 23 LEU H H 23 8.013 8.013 8.206 -0.193 19750 130 1 1 . 1 1 24 24 THR N N 24 116.790 116.790 115.894 0.896 19750 131 1 1 . 1 1 24 24 THR C C 24 176.180 176.180 176.572 -0.392 19750 132 1 1 . 1 1 24 24 THR H H 24 8.024 8.024 8.499 -0.475 19750 133 1 1 . 1 1 25 25 VAL N N 25 121.130 121.130 121.060 0.070 19750 134 1 1 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.924 -0.349 19750 135 1 1 . 1 1 25 25 VAL C C 25 177.600 177.600 177.731 -0.131 19750 136 1 1 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.103 0.717 19750 137 1 1 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.565 -0.735 19750 138 1 1 . 1 1 25 25 VAL H H 25 8.068 8.068 7.465 0.603 19750 139 1 1 . 1 1 26 26 TRP N N 26 120.520 120.520 120.489 0.031 19750 140 1 1 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.753 -0.573 19750 141 1 1 . 1 1 26 26 TRP C C 26 178.700 178.700 178.498 0.202 19750 142 1 1 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.430 1.000 19750 143 1 1 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.011 -1.271 19750 144 1 1 . 1 1 26 26 TRP H H 26 7.983 7.983 8.726 -0.743 19750 145 1 1 . 1 1 27 27 GLY N N 27 107.880 107.880 108.303 -0.423 19750 146 1 1 . 1 1 27 27 GLY C C 27 174.990 174.990 175.880 -0.890 19750 147 1 1 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.059 0.181 19750 148 1 1 . 1 1 27 27 GLY H H 27 8.846 8.846 8.680 0.166 19750 149 1 1 . 1 1 28 28 ILE N N 28 122.330 122.330 117.548 4.782 19750 150 1 1 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.945 -0.333 19750 151 1 1 . 1 1 28 28 ILE C C 28 178.030 178.030 177.263 0.767 19750 152 1 1 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.028 0.832 19750 153 1 1 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.521 -1.011 19750 154 1 1 . 1 1 28 28 ILE H H 28 8.427 8.427 7.532 0.895 19750 155 1 1 . 1 1 29 29 LYS N N 29 119.850 119.850 121.366 -1.516 19750 156 1 1 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.961 0.061 19750 157 1 1 . 1 1 29 29 LYS C C 29 180.050 180.050 178.735 1.315 19750 158 1 1 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.138 0.132 19750 159 1 1 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.931 -1.251 19750 160 1 1 . 1 1 29 29 LYS H H 29 7.993 7.993 7.453 0.540 19750 161 1 1 . 1 1 30 30 GLN N N 30 118.870 118.870 118.247 0.623 19750 162 1 1 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.055 -0.215 19750 163 1 1 . 1 1 30 30 GLN C C 30 178.750 178.750 178.544 0.206 19750 164 1 1 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.504 -1.344 19750 165 1 1 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.390 -1.530 19750 166 1 1 . 1 1 30 30 GLN H H 30 7.800 7.800 7.875 -0.075 19750 167 1 1 . 1 1 31 31 LEU N N 31 120.220 120.220 120.160 0.060 19750 168 1 1 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.246 -0.280 19750 169 1 1 . 1 1 31 31 LEU C C 31 179.300 179.300 178.935 0.365 19750 170 1 1 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.770 -0.560 19750 171 1 1 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.828 -1.168 19750 172 1 1 . 1 1 31 31 LEU H H 31 7.873 7.873 7.419 0.454 19750 173 1 1 . 1 1 32 32 GLN N N 32 118.830 118.830 119.943 -1.113 19750 174 1 1 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.923 0.020 19750 175 1 1 . 1 1 32 32 GLN C C 32 177.910 177.910 178.336 -0.426 19750 176 1 1 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.812 -0.592 19750 177 1 1 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.574 -0.554 19750 178 1 1 . 1 1 32 32 GLN H H 32 8.216 8.216 8.102 0.114 19750 179 1 1 . 1 1 33 33 ALA N N 33 121.340 121.340 119.225 2.115 19750 180 1 1 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.180 0.005 19750 181 1 1 . 1 1 33 33 ALA C C 33 179.050 179.050 177.638 1.412 19750 182 1 1 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.040 0.420 19750 183 1 1 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.408 -0.688 19750 184 1 1 . 1 1 33 33 ALA H H 33 7.647 7.647 7.748 -0.101 19750 185 1 1 . 1 1 34 34 ARG N N 34 117.580 117.580 118.912 -1.332 19750 186 1 1 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.147 0.159 19750 187 1 1 . 1 1 34 34 ARG C C 34 176.800 176.800 176.937 -0.137 19750 188 1 1 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.176 -0.946 19750 189 1 1 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.543 -0.893 19750 190 1 1 . 1 1 34 34 ARG H H 34 7.612 7.612 7.902 -0.290 19750 191 1 1 . 1 1 35 35 SER N N 35 114.960 114.960 114.297 0.663 19750 192 1 1 . 1 1 35 35 SER HA H 35 4.343 4.343 4.488 -0.145 19750 193 1 1 . 1 1 35 35 SER C C 35 175.290 175.290 175.502 -0.212 19750 194 1 1 . 1 1 35 35 SER CA C 35 58.930 58.930 58.003 0.927 19750 195 1 1 . 1 1 35 35 SER CB C 35 63.370 63.370 64.372 -1.002 19750 196 1 1 . 1 1 35 35 SER H H 35 7.827 7.827 7.596 0.231 19750 197 1 1 . 1 1 36 36 GLY N N 36 110.340 110.340 109.653 0.687 19750 198 1 1 . 1 1 36 36 GLY C C 36 174.840 174.840 173.924 0.916 19750 199 1 1 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.452 0.888 19750 200 1 1 . 1 1 36 36 GLY H H 36 8.132 8.132 8.538 -0.406 19750 201 1 1 . 1 1 37 37 GLY N N 37 108.880 108.880 107.358 1.522 19750 202 1 1 . 1 1 37 37 GLY C C 37 174.400 174.400 174.606 -0.206 19750 203 1 1 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.465 0.505 19750 204 1 1 . 1 1 37 37 GLY H H 37 8.190 8.190 7.402 0.788 19750 205 1 1 . 1 1 38 38 ARG N N 38 120.630 120.630 121.590 -0.960 19750 206 1 1 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.588 -0.273 19750 207 1 1 . 1 1 38 38 ARG C C 38 176.900 176.900 175.668 1.232 19750 208 1 1 . 1 1 38 38 ARG CA C 38 56.050 56.050 56.014 0.036 19750 209 1 1 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.688 -0.938 19750 210 1 1 . 1 1 38 38 ARG H H 38 8.118 8.118 8.536 -0.418 19750 211 1 1 . 1 1 39 39 GLY N N 39 109.360 109.360 108.906 0.454 19750 212 1 1 . 1 1 39 39 GLY C C 39 174.690 174.690 173.896 0.794 19750 213 1 1 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.780 0.340 19750 214 1 1 . 1 1 39 39 GLY H H 39 8.374 8.374 8.202 0.172 19750 215 1 1 . 1 1 40 40 GLY N N 40 109.060 109.060 107.915 1.145 19750 216 1 1 . 1 1 40 40 GLY C C 40 174.680 174.680 174.074 0.606 19750 217 1 1 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.749 0.331 19750 218 1 1 . 1 1 40 40 GLY H H 40 7.995 7.995 8.441 -0.446 19750 219 1 1 . 1 1 41 41 TRP N N 41 121.260 121.260 127.229 -5.969 19750 220 1 1 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.764 -0.365 19750 221 1 1 . 1 1 41 41 TRP C C 41 177.300 177.300 176.234 1.066 19750 222 1 1 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.285 1.295 19750 223 1 1 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.821 -2.131 19750 224 1 1 . 1 1 41 41 TRP H H 41 8.176 8.176 8.969 -0.793 19750 225 1 1 . 1 1 42 42 MET N N 42 118.570 118.570 120.475 -1.905 19750 226 1 1 . 1 1 42 42 MET HA H 42 4.185 4.185 4.242 -0.057 19750 227 1 1 . 1 1 42 42 MET C C 42 177.930 177.930 178.335 -0.405 19750 228 1 1 . 1 1 42 42 MET CA C 42 57.460 57.460 58.672 -1.212 19750 229 1 1 . 1 1 42 42 MET CB C 42 30.920 30.920 32.287 -1.367 19750 230 1 1 . 1 1 42 42 MET H H 42 8.120 8.120 8.291 -0.171 19750 231 1 1 . 1 1 43 43 GLU N N 43 119.600 119.600 118.878 0.722 19750 232 1 1 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.934 0.265 19750 233 1 1 . 1 1 43 43 GLU C C 43 177.980 177.980 178.714 -0.734 19750 234 1 1 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.064 -2.544 19750 235 1 1 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.898 -1.338 19750 236 1 1 . 1 1 43 43 GLU H H 43 7.834 7.834 8.762 -0.928 19750 237 1 1 . 1 1 44 44 TRP N N 44 120.890 120.890 117.350 3.540 19750 238 1 1 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.373 0.119 19750 239 1 1 . 1 1 44 44 TRP C C 44 177.480 177.480 177.800 -0.320 19750 240 1 1 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.080 -0.119 19750 241 1 1 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.527 -0.107 19750 242 1 1 . 1 1 44 44 TRP H H 44 7.824 7.824 8.482 -0.658 19750 243 1 1 . 1 1 45 45 ASP N N 45 118.210 118.210 117.723 0.487 19750 244 1 1 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.636 -0.284 19750 245 1 1 . 1 1 45 45 ASP C C 45 177.070 177.070 177.037 0.033 19750 246 1 1 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.066 -0.116 19750 247 1 1 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.562 -2.302 19750 248 1 1 . 1 1 45 45 ASP H H 45 8.325 8.325 7.956 0.369 19750 249 1 1 . 1 1 46 46 ARG N N 46 119.510 119.510 119.772 -0.262 19750 250 1 1 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.368 -0.267 19750 251 1 1 . 1 1 46 46 ARG C C 46 178.410 178.410 178.016 0.394 19750 252 1 1 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.217 0.223 19750 253 1 1 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.300 -2.110 19750 254 1 1 . 1 1 46 46 ARG H H 46 7.860 7.860 8.282 -0.422 19750 255 1 1 . 1 1 47 47 GLU N N 47 118.470 118.470 120.960 -2.490 19750 256 1 1 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.167 0.120 19750 257 1 1 . 1 1 47 47 GLU C C 47 178.170 178.170 178.645 -0.475 19750 258 1 1 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.149 -1.339 19750 259 1 1 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.503 -1.783 19750 260 1 1 . 1 1 47 47 GLU H H 47 7.874 7.874 7.581 0.293 19750 261 1 1 . 1 1 48 48 ILE N N 48 118.800 118.800 115.187 3.613 19750 262 1 1 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.803 0.126 19750 263 1 1 . 1 1 48 48 ILE C C 48 178.060 178.060 177.325 0.735 19750 264 1 1 . 1 1 48 48 ILE CA C 48 64.030 64.030 64.056 -0.026 19750 265 1 1 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.433 -0.443 19750 266 1 1 . 1 1 48 48 ILE H H 48 8.199 8.199 7.620 0.579 19750 267 1 1 . 1 1 49 49 ASN N N 49 119.580 119.580 119.045 0.535 19750 268 1 1 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.708 -0.109 19750 269 1 1 . 1 1 49 49 ASN C C 49 177.110 177.110 177.750 -0.640 19750 270 1 1 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.181 0.519 19750 271 1 1 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.208 -0.128 19750 272 1 1 . 1 1 49 49 ASN H H 49 8.085 8.085 8.052 0.033 19750 273 1 1 . 1 1 50 50 ASN N N 50 118.690 118.690 120.982 -2.292 19750 274 1 1 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.457 0.077 19750 275 1 1 . 1 1 50 50 ASN C C 50 177.120 177.120 176.979 0.141 19750 276 1 1 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.468 -1.408 19750 277 1 1 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.532 -0.852 19750 278 1 1 . 1 1 50 50 ASN H H 50 8.020 8.020 8.146 -0.126 19750 279 1 1 . 1 1 51 51 TYR N N 51 118.430 118.430 117.922 0.508 19750 280 1 1 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.500 0.034 19750 281 1 1 . 1 1 51 51 TYR C C 51 177.480 177.480 176.187 1.293 19750 282 1 1 . 1 1 51 51 TYR CA C 51 60.430 60.430 59.913 0.517 19750 283 1 1 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.788 -1.078 19750 284 1 1 . 1 1 51 51 TYR H H 51 8.106 8.106 7.735 0.371 19750 285 1 1 . 1 1 52 52 THR N N 52 114.470 114.470 115.329 -0.859 19750 286 1 1 . 1 1 52 52 THR HA H 52 3.943 3.943 4.271 -0.328 19750 287 1 1 . 1 1 52 52 THR C C 52 176.970 176.970 176.057 0.913 19750 288 1 1 . 1 1 52 52 THR CA C 52 66.220 66.220 65.418 0.802 19750 289 1 1 . 1 1 52 52 THR CB C 52 67.580 67.580 69.087 -1.507 19750 290 1 1 . 1 1 52 52 THR H H 52 8.247 8.247 8.018 0.229 19750 291 1 1 . 1 1 53 53 SER N N 53 118.260 118.260 118.389 -0.129 19750 292 1 1 . 1 1 53 53 SER HA H 53 4.338 4.338 4.476 -0.138 19750 293 1 1 . 1 1 53 53 SER C C 53 176.990 176.990 175.842 1.148 19750 294 1 1 . 1 1 53 53 SER CA C 53 61.300 61.300 60.927 0.373 19750 295 1 1 . 1 1 53 53 SER CB C 53 62.020 62.020 63.071 -1.051 19750 296 1 1 . 1 1 53 53 SER H H 53 8.064 8.064 7.766 0.298 19750 297 1 1 . 1 1 54 54 LEU N N 54 123.950 123.950 122.762 1.188 19750 298 1 1 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.077 0.172 19750 299 1 1 . 1 1 54 54 LEU C C 54 179.060 179.060 177.466 1.594 19750 300 1 1 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.810 -0.120 19750 301 1 1 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.127 -1.137 19750 302 1 1 . 1 1 54 54 LEU H H 54 7.631 7.631 7.373 0.258 19750 303 1 1 . 1 1 55 55 ILE N N 55 118.770 118.770 116.091 2.679 19750 304 1 1 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.875 -0.156 19750 305 1 1 . 1 1 55 55 ILE C C 55 177.570 177.570 176.814 0.756 19750 306 1 1 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.086 2.434 19750 307 1 1 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.821 -1.361 19750 308 1 1 . 1 1 55 55 ILE H H 55 8.051 8.051 7.521 0.530 19750 309 1 1 . 1 1 56 56 HIS N N 56 117.770 117.770 120.385 -2.615 19750 310 1 1 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.455 -0.200 19750 311 1 1 . 1 1 56 56 HIS C C 56 176.790 176.790 177.162 -0.372 19750 312 1 1 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.131 -0.041 19750 313 1 1 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.814 -2.214 19750 314 1 1 . 1 1 56 56 HIS H H 56 8.339 8.339 7.770 0.569 19750 315 1 1 . 1 1 57 57 SER N N 57 115.350 115.350 115.108 0.242 19750 316 1 1 . 1 1 57 57 SER HA H 57 4.245 4.245 4.290 -0.045 19750 317 1 1 . 1 1 57 57 SER C C 57 175.990 175.990 175.976 0.014 19750 318 1 1 . 1 1 57 57 SER CA C 57 61.580 61.580 61.246 0.334 19750 319 1 1 . 1 1 57 57 SER CB C 57 62.280 62.280 63.019 -0.739 19750 320 1 1 . 1 1 57 57 SER H H 57 8.137 8.137 7.885 0.252 19750 321 1 1 . 1 1 58 58 LEU N N 58 122.540 122.540 123.102 -0.562 19750 322 1 1 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.161 0.001 19750 323 1 1 . 1 1 58 58 LEU C C 58 178.930 178.930 178.029 0.901 19750 324 1 1 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.165 0.125 19750 325 1 1 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.119 -0.929 19750 326 1 1 . 1 1 58 58 LEU H H 58 7.914 7.914 7.525 0.389 19750 327 1 1 . 1 1 59 59 ILE N N 59 118.010 118.010 118.918 -0.908 19750 328 1 1 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.639 0.150 19750 329 1 1 . 1 1 59 59 ILE C C 59 178.120 178.120 177.249 0.871 19750 330 1 1 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.394 -1.564 19750 331 1 1 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.947 -0.797 19750 332 1 1 . 1 1 59 59 ILE H H 59 7.921 7.921 7.433 0.488 19750 333 1 1 . 1 1 60 60 GLU N N 60 119.640 119.640 119.829 -0.189 19750 334 1 1 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.768 0.366 19750 335 1 1 . 1 1 60 60 GLU C C 60 177.950 177.950 178.023 -0.073 19750 336 1 1 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.538 -1.978 19750 337 1 1 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.447 -1.737 19750 338 1 1 . 1 1 60 60 GLU H H 60 7.925 7.925 7.637 0.288 19750 339 1 1 . 1 1 61 61 GLU N N 61 118.990 118.990 116.520 2.470 19750 340 1 1 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.141 0.104 19750 341 1 1 . 1 1 61 61 GLU C C 61 177.450 177.450 178.135 -0.685 19750 342 1 1 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.414 -1.314 19750 343 1 1 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.603 -1.983 19750 344 1 1 . 1 1 61 61 GLU H H 61 8.048 8.048 7.619 0.429 19750 345 1 1 . 1 1 62 62 SER N N 62 115.260 115.260 114.200 1.060 19750 346 1 1 . 1 1 62 62 SER HA H 62 4.324 4.324 4.381 -0.057 19750 347 1 1 . 1 1 62 62 SER C C 62 174.940 174.940 174.834 0.106 19750 348 1 1 . 1 1 62 62 SER CA C 62 59.620 59.620 60.398 -0.778 19750 349 1 1 . 1 1 62 62 SER CB C 62 63.130 63.130 63.626 -0.496 19750 350 1 1 . 1 1 62 62 SER H H 62 7.893 7.893 7.354 0.539 19750 351 1 1 . 1 1 63 63 GLN N N 63 120.400 120.400 121.056 -0.656 19750 352 1 1 . 1 1 63 63 GLN C C 63 176.070 176.070 174.947 1.123 19750 353 1 1 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.251 0.539 19750 354 1 1 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.852 0.848 19750 355 1 1 . 1 1 63 63 GLN H H 63 7.824 7.824 8.211 -0.387 19750 356 1 1 . 1 1 64 64 ASN N N 64 119.180 119.180 123.157 -3.977 19750 357 1 1 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.845 -0.150 19750 358 1 1 . 1 1 64 64 ASN C C 64 175.300 175.300 175.031 0.269 19750 359 1 1 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.794 0.486 19750 360 1 1 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.998 -1.658 19750 361 1 1 . 1 1 64 64 ASN H H 64 8.059 8.059 8.143 -0.084 19750 362 1 1 . 1 1 65 65 GLN N N 65 120.740 120.740 122.106 -1.366 19750 363 1 1 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.646 -0.326 19750 364 1 1 . 1 1 65 65 GLN C C 65 175.890 175.890 174.761 1.129 19750 365 1 1 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.340 0.360 19750 366 1 1 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.651 -2.121 19750 367 1 1 . 1 1 65 65 GLN H H 65 8.144 8.144 8.535 -0.391 19750 368 1 1 . 1 1 66 66 GLN N N 66 121.070 121.070 121.123 -0.053 19750 369 1 1 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.364 -0.044 19750 370 1 1 . 1 1 66 66 GLN C C 66 175.840 175.840 175.172 0.668 19750 371 1 1 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.187 -0.577 19750 372 1 1 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.224 -1.554 19750 373 1 1 . 1 1 66 66 GLN H H 66 8.199 8.199 8.694 -0.495 19750 374 1 1 . 1 1 67 67 GLU N N 67 122.320 122.320 121.462 0.858 19750 375 1 1 . 1 1 67 67 GLU C C 67 175.200 175.200 175.428 -0.228 19750 376 1 1 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.489 -0.839 19750 377 1 1 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.151 -1.741 19750 378 1 1 . 1 1 67 67 GLU H H 67 8.194 8.194 8.504 -0.310 19750 379 1 2 . 1 1 2 2 GLY N N 2 110.890 110.890 111.528 -0.638 19750 380 1 2 . 1 1 2 2 GLY C C 2 174.890 174.890 174.565 0.325 19750 381 1 2 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.017 0.532 19750 382 1 2 . 1 1 2 2 GLY H H 2 8.294 8.294 7.918 0.376 19750 383 1 2 . 1 1 3 3 ILE N N 3 120.800 120.800 120.911 -0.111 19750 384 1 2 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.841 0.191 19750 385 1 2 . 1 1 3 3 ILE C C 3 176.740 176.740 177.544 -0.804 19750 386 1 2 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.995 -0.755 19750 387 1 2 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.475 -1.015 19750 388 1 2 . 1 1 3 3 ILE H H 3 7.861 7.861 8.163 -0.302 19750 389 1 2 . 1 1 4 4 VAL N N 4 121.090 121.090 119.709 1.381 19750 390 1 2 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.811 0.072 19750 391 1 2 . 1 1 4 4 VAL C C 4 176.990 176.990 177.656 -0.666 19750 392 1 2 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.671 -2.051 19750 393 1 2 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.681 -0.511 19750 394 1 2 . 1 1 4 4 VAL H H 4 7.857 7.857 7.810 0.047 19750 395 1 2 . 1 1 5 5 GLN N N 5 121.380 121.380 119.710 1.670 19750 396 1 2 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.902 0.333 19750 397 1 2 . 1 1 5 5 GLN C C 5 176.960 176.960 178.073 -1.113 19750 398 1 2 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.582 -2.832 19750 399 1 2 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.134 0.116 19750 400 1 2 . 1 1 5 5 GLN H H 5 8.051 8.051 8.641 -0.590 19750 401 1 2 . 1 1 6 6 GLN N N 6 119.480 119.480 118.034 1.446 19750 402 1 2 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.939 0.429 19750 403 1 2 . 1 1 6 6 GLN C C 6 176.720 176.720 178.643 -1.923 19750 404 1 2 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.954 -2.834 19750 405 1 2 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.373 -0.153 19750 406 1 2 . 1 1 6 6 GLN H H 6 8.018 8.018 7.704 0.314 19750 407 1 2 . 1 1 7 7 GLN N N 7 120.360 120.360 118.336 2.024 19750 408 1 2 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.035 0.154 19750 409 1 2 . 1 1 7 7 GLN C C 7 176.180 176.180 178.730 -2.550 19750 410 1 2 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.674 -1.824 19750 411 1 2 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.374 -0.294 19750 412 1 2 . 1 1 7 7 GLN H H 7 8.151 8.151 7.778 0.373 19750 413 1 2 . 1 1 8 8 ASN N N 8 119.230 119.230 118.569 0.661 19750 414 1 2 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.622 -0.170 19750 415 1 2 . 1 1 8 8 ASN C C 8 176.300 176.300 177.554 -1.254 19750 416 1 2 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.407 -0.607 19750 417 1 2 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.323 -0.123 19750 418 1 2 . 1 1 8 8 ASN H H 8 8.256 8.256 8.553 -0.297 19750 419 1 2 . 1 1 9 9 ASN N N 9 119.840 119.840 120.317 -0.477 19750 420 1 2 . 1 1 9 9 ASN C C 9 177.150 177.150 177.406 -0.256 19750 421 1 2 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.285 -0.345 19750 422 1 2 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.464 -0.784 19750 423 1 2 . 1 1 9 9 ASN H H 9 8.319 8.319 8.620 -0.301 19750 424 1 2 . 1 1 10 10 LEU N N 10 122.900 122.900 122.058 0.842 19750 425 1 2 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.037 0.097 19750 426 1 2 . 1 1 10 10 LEU C C 10 178.050 178.050 178.200 -0.150 19750 427 1 2 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.346 -0.656 19750 428 1 2 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.031 -1.271 19750 429 1 2 . 1 1 10 10 LEU H H 10 8.194 8.194 8.506 -0.312 19750 430 1 2 . 1 1 11 11 LEU N N 11 118.800 118.800 117.661 1.139 19750 431 1 2 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.028 -0.020 19750 432 1 2 . 1 1 11 11 LEU C C 11 178.830 178.830 178.769 0.061 19750 433 1 2 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.142 0.528 19750 434 1 2 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.980 -1.750 19750 435 1 2 . 1 1 11 11 LEU H H 11 8.030 8.030 7.512 0.518 19750 436 1 2 . 1 1 12 12 ARG N N 12 117.710 117.710 118.553 -0.843 19750 437 1 2 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.059 -0.046 19750 438 1 2 . 1 1 12 12 ARG C C 12 178.840 178.840 178.576 0.264 19750 439 1 2 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.968 -0.348 19750 440 1 2 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.202 -1.152 19750 441 1 2 . 1 1 12 12 ARG H H 12 7.845 7.845 7.426 0.419 19750 442 1 2 . 1 1 13 13 ALA N N 13 121.870 121.870 122.622 -0.752 19750 443 1 2 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.105 0.089 19750 444 1 2 . 1 1 13 13 ALA C C 13 180.040 180.040 179.127 0.913 19750 445 1 2 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.901 -0.421 19750 446 1 2 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.240 -0.740 19750 447 1 2 . 1 1 13 13 ALA H H 13 7.681 7.681 8.572 -0.891 19750 448 1 2 . 1 1 14 14 ILE N N 14 118.010 118.010 117.887 0.123 19750 449 1 2 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.717 0.016 19750 450 1 2 . 1 1 14 14 ILE C C 14 177.760 177.760 178.275 -0.515 19750 451 1 2 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.968 -0.628 19750 452 1 2 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.226 -1.026 19750 453 1 2 . 1 1 14 14 ILE H H 14 7.975 7.975 7.480 0.495 19750 454 1 2 . 1 1 15 15 GLU N N 15 117.430 117.430 118.097 -0.667 19750 455 1 2 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.425 -0.473 19750 456 1 2 . 1 1 15 15 GLU C C 15 177.030 177.030 178.068 -1.038 19750 457 1 2 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.840 -0.920 19750 458 1 2 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.798 -2.378 19750 459 1 2 . 1 1 15 15 GLU H H 15 8.110 8.110 8.174 -0.064 19750 460 1 2 . 1 1 16 16 ALA N N 16 119.580 119.580 119.617 -0.037 19750 461 1 2 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.313 0.030 19750 462 1 2 . 1 1 16 16 ALA C C 16 178.570 178.570 176.985 1.585 19750 463 1 2 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.761 -0.111 19750 464 1 2 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.196 0.884 19750 465 1 2 . 1 1 16 16 ALA H H 16 7.457 7.457 8.040 -0.583 19750 466 1 2 . 1 1 17 17 GLN N N 17 118.840 118.840 113.945 4.895 19750 467 1 2 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.470 -0.039 19750 468 1 2 . 1 1 17 17 GLN C C 17 176.160 176.160 176.345 -0.185 19750 469 1 2 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.564 -0.934 19750 470 1 2 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.363 -2.983 19750 471 1 2 . 1 1 17 17 GLN H H 17 7.642 7.642 8.056 -0.414 19750 472 1 2 . 1 1 18 18 GLN N N 18 120.730 120.730 120.974 -0.244 19750 473 1 2 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.955 0.062 19750 474 1 2 . 1 1 18 18 GLN C C 18 177.480 177.480 177.501 -0.021 19750 475 1 2 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.464 -1.174 19750 476 1 2 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.721 -0.601 19750 477 1 2 . 1 1 18 18 GLN H H 18 7.975 7.975 7.614 0.361 19750 478 1 2 . 1 1 19 19 HIS N N 19 117.470 117.470 118.705 -1.235 19750 479 1 2 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.386 0.288 19750 480 1 2 . 1 1 19 19 HIS C C 19 176.330 176.330 177.511 -1.181 19750 481 1 2 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.572 -2.612 19750 482 1 2 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.511 -2.091 19750 483 1 2 . 1 1 19 19 HIS H H 19 8.697 8.697 8.454 0.243 19750 484 1 2 . 1 1 20 20 LEU N N 20 120.410 120.410 122.035 -1.625 19750 485 1 2 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.154 -0.104 19750 486 1 2 . 1 1 20 20 LEU C C 20 179.680 179.680 178.340 1.340 19750 487 1 2 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.574 0.166 19750 488 1 2 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.211 -0.381 19750 489 1 2 . 1 1 20 20 LEU H H 20 8.026 8.026 8.383 -0.357 19750 490 1 2 . 1 1 21 21 LEU N N 21 121.930 121.930 119.203 2.727 19750 491 1 2 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.968 0.091 19750 492 1 2 . 1 1 21 21 LEU C C 21 178.540 178.540 179.403 -0.863 19750 493 1 2 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.542 -0.412 19750 494 1 2 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.803 -0.673 19750 495 1 2 . 1 1 21 21 LEU H H 21 8.433 8.433 7.624 0.809 19750 496 1 2 . 1 1 22 22 GLN N N 22 118.540 118.540 117.985 0.555 19750 497 1 2 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.195 -0.182 19750 498 1 2 . 1 1 22 22 GLN C C 22 179.430 179.430 178.629 0.801 19750 499 1 2 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.570 0.330 19750 500 1 2 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.612 -1.142 19750 501 1 2 . 1 1 22 22 GLN H H 22 8.087 8.087 7.556 0.531 19750 502 1 2 . 1 1 23 23 LEU N N 23 120.750 120.750 121.194 -0.444 19750 503 1 2 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.016 0.215 19750 504 1 2 . 1 1 23 23 LEU C C 23 178.420 178.420 178.856 -0.436 19750 505 1 2 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.137 -0.507 19750 506 1 2 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.147 -0.857 19750 507 1 2 . 1 1 23 23 LEU H H 23 8.013 8.013 8.600 -0.587 19750 508 1 2 . 1 1 24 24 THR N N 24 116.790 116.790 115.604 1.186 19750 509 1 2 . 1 1 24 24 THR C C 24 176.180 176.180 176.676 -0.496 19750 510 1 2 . 1 1 24 24 THR H H 24 8.024 8.024 8.482 -0.458 19750 511 1 2 . 1 1 25 25 VAL N N 25 121.130 121.130 121.225 -0.095 19750 512 1 2 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.881 -0.306 19750 513 1 2 . 1 1 25 25 VAL C C 25 177.600 177.600 177.957 -0.357 19750 514 1 2 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.338 0.481 19750 515 1 2 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.581 -0.751 19750 516 1 2 . 1 1 25 25 VAL H H 25 8.068 8.068 7.455 0.613 19750 517 1 2 . 1 1 26 26 TRP N N 26 120.520 120.520 120.259 0.261 19750 518 1 2 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.711 -0.531 19750 519 1 2 . 1 1 26 26 TRP C C 26 178.700 178.700 178.651 0.049 19750 520 1 2 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.498 0.932 19750 521 1 2 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.925 -1.185 19750 522 1 2 . 1 1 26 26 TRP H H 26 7.983 7.983 8.902 -0.919 19750 523 1 2 . 1 1 27 27 GLY N N 27 107.880 107.880 108.669 -0.789 19750 524 1 2 . 1 1 27 27 GLY C C 27 174.990 174.990 175.808 -0.818 19750 525 1 2 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.065 0.175 19750 526 1 2 . 1 1 27 27 GLY H H 27 8.846 8.846 8.669 0.177 19750 527 1 2 . 1 1 28 28 ILE N N 28 122.330 122.330 117.676 4.654 19750 528 1 2 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.923 -0.311 19750 529 1 2 . 1 1 28 28 ILE C C 28 178.030 178.030 177.267 0.763 19750 530 1 2 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.056 0.804 19750 531 1 2 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.498 -0.988 19750 532 1 2 . 1 1 28 28 ILE H H 28 8.427 8.427 7.752 0.675 19750 533 1 2 . 1 1 29 29 LYS N N 29 119.850 119.850 121.186 -1.336 19750 534 1 2 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.969 0.053 19750 535 1 2 . 1 1 29 29 LYS C C 29 180.050 180.050 178.810 1.240 19750 536 1 2 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.179 0.091 19750 537 1 2 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.980 -1.300 19750 538 1 2 . 1 1 29 29 LYS H H 29 7.993 7.993 7.481 0.512 19750 539 1 2 . 1 1 30 30 GLN N N 30 118.870 118.870 118.390 0.480 19750 540 1 2 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.080 -0.240 19750 541 1 2 . 1 1 30 30 GLN C C 30 178.750 178.750 178.583 0.167 19750 542 1 2 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.333 -1.173 19750 543 1 2 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.471 -1.611 19750 544 1 2 . 1 1 30 30 GLN H H 30 7.800 7.800 7.743 0.057 19750 545 1 2 . 1 1 31 31 LEU N N 31 120.220 120.220 120.799 -0.579 19750 546 1 2 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.165 -0.199 19750 547 1 2 . 1 1 31 31 LEU C C 31 179.300 179.300 178.789 0.511 19750 548 1 2 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.891 -0.681 19750 549 1 2 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.741 -1.081 19750 550 1 2 . 1 1 31 31 LEU H H 31 7.873 7.873 7.554 0.319 19750 551 1 2 . 1 1 32 32 GLN N N 32 118.830 118.830 119.737 -0.907 19750 552 1 2 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.847 0.096 19750 553 1 2 . 1 1 32 32 GLN C C 32 177.910 177.910 177.979 -0.069 19750 554 1 2 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.957 -0.737 19750 555 1 2 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.618 -0.598 19750 556 1 2 . 1 1 32 32 GLN H H 32 8.216 8.216 7.867 0.349 19750 557 1 2 . 1 1 33 33 ALA N N 33 121.340 121.340 118.346 2.994 19750 558 1 2 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.125 0.060 19750 559 1 2 . 1 1 33 33 ALA C C 33 179.050 179.050 178.133 0.917 19750 560 1 2 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.292 0.168 19750 561 1 2 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.392 -0.672 19750 562 1 2 . 1 1 33 33 ALA H H 33 7.647 7.647 7.505 0.142 19750 563 1 2 . 1 1 34 34 ARG N N 34 117.580 117.580 118.053 -0.473 19750 564 1 2 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.150 0.156 19750 565 1 2 . 1 1 34 34 ARG C C 34 176.800 176.800 176.551 0.249 19750 566 1 2 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.121 -0.891 19750 567 1 2 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.685 -1.035 19750 568 1 2 . 1 1 34 34 ARG H H 34 7.612 7.612 8.151 -0.539 19750 569 1 2 . 1 1 35 35 SER N N 35 114.960 114.960 113.776 1.184 19750 570 1 2 . 1 1 35 35 SER HA H 35 4.343 4.343 4.507 -0.164 19750 571 1 2 . 1 1 35 35 SER C C 35 175.290 175.290 175.879 -0.589 19750 572 1 2 . 1 1 35 35 SER CA C 35 58.930 58.930 58.042 0.888 19750 573 1 2 . 1 1 35 35 SER CB C 35 63.370 63.370 64.629 -1.259 19750 574 1 2 . 1 1 35 35 SER H H 35 7.827 7.827 7.589 0.238 19750 575 1 2 . 1 1 36 36 GLY N N 36 110.340 110.340 110.841 -0.501 19750 576 1 2 . 1 1 36 36 GLY C C 36 174.840 174.840 173.993 0.847 19750 577 1 2 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.235 1.105 19750 578 1 2 . 1 1 36 36 GLY H H 36 8.132 8.132 8.687 -0.555 19750 579 1 2 . 1 1 37 37 GLY N N 37 108.880 108.880 106.900 1.980 19750 580 1 2 . 1 1 37 37 GLY C C 37 174.400 174.400 174.579 -0.179 19750 581 1 2 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.439 0.531 19750 582 1 2 . 1 1 37 37 GLY H H 37 8.190 8.190 7.499 0.691 19750 583 1 2 . 1 1 38 38 ARG N N 38 120.630 120.630 121.869 -1.239 19750 584 1 2 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.526 -0.211 19750 585 1 2 . 1 1 38 38 ARG C C 38 176.900 176.900 175.951 0.949 19750 586 1 2 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.692 0.358 19750 587 1 2 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.703 0.048 19750 588 1 2 . 1 1 38 38 ARG H H 38 8.118 8.118 8.446 -0.328 19750 589 1 2 . 1 1 39 39 GLY N N 39 109.360 109.360 108.594 0.766 19750 590 1 2 . 1 1 39 39 GLY C C 39 174.690 174.690 173.952 0.738 19750 591 1 2 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.536 0.584 19750 592 1 2 . 1 1 39 39 GLY H H 39 8.374 8.374 8.125 0.249 19750 593 1 2 . 1 1 40 40 GLY N N 40 109.060 109.060 107.523 1.537 19750 594 1 2 . 1 1 40 40 GLY C C 40 174.680 174.680 174.031 0.649 19750 595 1 2 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.843 0.237 19750 596 1 2 . 1 1 40 40 GLY H H 40 7.995 7.995 8.394 -0.399 19750 597 1 2 . 1 1 41 41 TRP N N 41 121.260 121.260 127.098 -5.838 19750 598 1 2 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.785 -0.386 19750 599 1 2 . 1 1 41 41 TRP C C 41 177.300 177.300 175.826 1.474 19750 600 1 2 . 1 1 41 41 TRP CA C 41 58.580 58.580 56.994 1.586 19750 601 1 2 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.627 -1.937 19750 602 1 2 . 1 1 41 41 TRP H H 41 8.176 8.176 8.942 -0.766 19750 603 1 2 . 1 1 42 42 MET N N 42 118.570 118.570 120.007 -1.437 19750 604 1 2 . 1 1 42 42 MET HA H 42 4.185 4.185 4.458 -0.273 19750 605 1 2 . 1 1 42 42 MET C C 42 177.930 177.930 178.080 -0.150 19750 606 1 2 . 1 1 42 42 MET CA C 42 57.460 57.460 58.399 -0.939 19750 607 1 2 . 1 1 42 42 MET CB C 42 30.920 30.920 32.357 -1.437 19750 608 1 2 . 1 1 42 42 MET H H 42 8.120 8.120 8.102 0.018 19750 609 1 2 . 1 1 43 43 GLU N N 43 119.600 119.600 119.141 0.459 19750 610 1 2 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.952 0.247 19750 611 1 2 . 1 1 43 43 GLU C C 43 177.980 177.980 178.983 -1.003 19750 612 1 2 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.265 -2.745 19750 613 1 2 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.938 -1.378 19750 614 1 2 . 1 1 43 43 GLU H H 43 7.834 7.834 8.974 -1.140 19750 615 1 2 . 1 1 44 44 TRP N N 44 120.890 120.890 116.825 4.065 19750 616 1 2 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.582 -0.090 19750 617 1 2 . 1 1 44 44 TRP C C 44 177.480 177.480 177.545 -0.065 19750 618 1 2 . 1 1 44 44 TRP CA C 44 58.960 58.960 57.377 1.583 19750 619 1 2 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.379 0.041 19750 620 1 2 . 1 1 44 44 TRP H H 44 7.824 7.824 8.057 -0.233 19750 621 1 2 . 1 1 45 45 ASP N N 45 118.210 118.210 119.381 -1.171 19750 622 1 2 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.675 -0.323 19750 623 1 2 . 1 1 45 45 ASP C C 45 177.070 177.070 176.973 0.097 19750 624 1 2 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.474 -0.524 19750 625 1 2 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.765 -2.505 19750 626 1 2 . 1 1 45 45 ASP H H 45 8.325 8.325 8.901 -0.576 19750 627 1 2 . 1 1 46 46 ARG N N 46 119.510 119.510 119.544 -0.034 19750 628 1 2 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.363 -0.262 19750 629 1 2 . 1 1 46 46 ARG C C 46 178.410 178.410 177.925 0.485 19750 630 1 2 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.218 0.222 19750 631 1 2 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.250 -2.060 19750 632 1 2 . 1 1 46 46 ARG H H 46 7.860 7.860 7.552 0.308 19750 633 1 2 . 1 1 47 47 GLU N N 47 118.470 118.470 120.801 -2.331 19750 634 1 2 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.174 0.113 19750 635 1 2 . 1 1 47 47 GLU C C 47 178.170 178.170 178.608 -0.438 19750 636 1 2 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.087 -1.277 19750 637 1 2 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.479 -1.759 19750 638 1 2 . 1 1 47 47 GLU H H 47 7.874 7.874 7.861 0.013 19750 639 1 2 . 1 1 48 48 ILE N N 48 118.800 118.800 115.159 3.641 19750 640 1 2 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.809 0.120 19750 641 1 2 . 1 1 48 48 ILE C C 48 178.060 178.060 177.307 0.753 19750 642 1 2 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.976 0.054 19750 643 1 2 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.434 -0.444 19750 644 1 2 . 1 1 48 48 ILE H H 48 8.199 8.199 7.600 0.599 19750 645 1 2 . 1 1 49 49 ASN N N 49 119.580 119.580 118.965 0.615 19750 646 1 2 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.680 -0.081 19750 647 1 2 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 648 1 2 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.530 0.170 19750 649 1 2 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.184 -0.104 19750 650 1 2 . 1 1 49 49 ASN H H 49 8.085 8.085 8.002 0.083 19750 651 1 2 . 1 1 50 50 ASN N N 50 118.690 118.690 120.102 -1.412 19750 652 1 2 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.427 0.107 19750 653 1 2 . 1 1 50 50 ASN C C 50 177.120 177.120 177.340 -0.220 19750 654 1 2 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.486 -1.427 19750 655 1 2 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.563 -0.883 19750 656 1 2 . 1 1 50 50 ASN H H 50 8.020 8.020 8.060 -0.040 19750 657 1 2 . 1 1 51 51 TYR N N 51 118.430 118.430 117.972 0.458 19750 658 1 2 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.461 0.073 19750 659 1 2 . 1 1 51 51 TYR C C 51 177.480 177.480 176.225 1.255 19750 660 1 2 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.084 0.346 19750 661 1 2 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.729 -1.019 19750 662 1 2 . 1 1 51 51 TYR H H 51 8.106 8.106 7.737 0.369 19750 663 1 2 . 1 1 52 52 THR N N 52 114.470 114.470 115.110 -0.640 19750 664 1 2 . 1 1 52 52 THR HA H 52 3.943 3.943 4.284 -0.341 19750 665 1 2 . 1 1 52 52 THR C C 52 176.970 176.970 176.066 0.904 19750 666 1 2 . 1 1 52 52 THR CA C 52 66.220 66.220 65.402 0.818 19750 667 1 2 . 1 1 52 52 THR CB C 52 67.580 67.580 69.106 -1.526 19750 668 1 2 . 1 1 52 52 THR H H 52 8.247 8.247 7.969 0.278 19750 669 1 2 . 1 1 53 53 SER N N 53 118.260 118.260 118.511 -0.251 19750 670 1 2 . 1 1 53 53 SER HA H 53 4.338 4.338 4.470 -0.132 19750 671 1 2 . 1 1 53 53 SER C C 53 176.990 176.990 175.882 1.108 19750 672 1 2 . 1 1 53 53 SER CA C 53 61.300 61.300 61.036 0.264 19750 673 1 2 . 1 1 53 53 SER CB C 53 62.020 62.020 63.062 -1.042 19750 674 1 2 . 1 1 53 53 SER H H 53 8.064 8.064 7.760 0.304 19750 675 1 2 . 1 1 54 54 LEU N N 54 123.950 123.950 123.083 0.867 19750 676 1 2 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.078 0.172 19750 677 1 2 . 1 1 54 54 LEU C C 54 179.060 179.060 177.785 1.275 19750 678 1 2 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.745 -0.055 19750 679 1 2 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.153 -1.163 19750 680 1 2 . 1 1 54 54 LEU H H 54 7.631 7.631 7.373 0.258 19750 681 1 2 . 1 1 55 55 ILE N N 55 118.770 118.770 116.237 2.533 19750 682 1 2 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.852 -0.133 19750 683 1 2 . 1 1 55 55 ILE C C 55 177.570 177.570 176.761 0.809 19750 684 1 2 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.122 2.398 19750 685 1 2 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.775 -1.315 19750 686 1 2 . 1 1 55 55 ILE H H 55 8.051 8.051 7.527 0.524 19750 687 1 2 . 1 1 56 56 HIS N N 56 117.770 117.770 120.310 -2.540 19750 688 1 2 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.442 -0.187 19750 689 1 2 . 1 1 56 56 HIS C C 56 176.790 176.790 177.157 -0.367 19750 690 1 2 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.118 -0.028 19750 691 1 2 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.857 -2.257 19750 692 1 2 . 1 1 56 56 HIS H H 56 8.339 8.339 7.745 0.594 19750 693 1 2 . 1 1 57 57 SER N N 57 115.350 115.350 115.299 0.051 19750 694 1 2 . 1 1 57 57 SER HA H 57 4.245 4.245 4.244 0.001 19750 695 1 2 . 1 1 57 57 SER C C 57 175.990 175.990 176.037 -0.047 19750 696 1 2 . 1 1 57 57 SER CA C 57 61.580 61.580 61.737 -0.157 19750 697 1 2 . 1 1 57 57 SER CB C 57 62.280 62.280 63.031 -0.751 19750 698 1 2 . 1 1 57 57 SER H H 57 8.137 8.137 7.928 0.209 19750 699 1 2 . 1 1 58 58 LEU N N 58 122.540 122.540 123.179 -0.639 19750 700 1 2 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.144 0.018 19750 701 1 2 . 1 1 58 58 LEU C C 58 178.930 178.930 178.368 0.562 19750 702 1 2 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.336 -0.046 19750 703 1 2 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.075 -0.885 19750 704 1 2 . 1 1 58 58 LEU H H 58 7.914 7.914 7.519 0.395 19750 705 1 2 . 1 1 59 59 ILE N N 59 118.010 118.010 119.150 -1.140 19750 706 1 2 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.691 0.098 19750 707 1 2 . 1 1 59 59 ILE C C 59 178.120 178.120 177.323 0.797 19750 708 1 2 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.183 -1.353 19750 709 1 2 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.013 -0.862 19750 710 1 2 . 1 1 59 59 ILE H H 59 7.921 7.921 7.334 0.587 19750 711 1 2 . 1 1 60 60 GLU N N 60 119.640 119.640 119.600 0.040 19750 712 1 2 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.789 0.345 19750 713 1 2 . 1 1 60 60 GLU C C 60 177.950 177.950 178.018 -0.068 19750 714 1 2 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.402 -1.842 19750 715 1 2 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.466 -1.756 19750 716 1 2 . 1 1 60 60 GLU H H 60 7.925 7.925 7.821 0.104 19750 717 1 2 . 1 1 61 61 GLU N N 61 118.990 118.990 117.249 1.741 19750 718 1 2 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.171 0.074 19750 719 1 2 . 1 1 61 61 GLU C C 61 177.450 177.450 178.366 -0.916 19750 720 1 2 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.472 -1.372 19750 721 1 2 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.762 -2.142 19750 722 1 2 . 1 1 61 61 GLU H H 61 8.048 8.048 7.579 0.469 19750 723 1 2 . 1 1 62 62 SER N N 62 115.260 115.260 114.995 0.265 19750 724 1 2 . 1 1 62 62 SER HA H 62 4.324 4.324 4.283 0.041 19750 725 1 2 . 1 1 62 62 SER C C 62 174.940 174.940 175.045 -0.105 19750 726 1 2 . 1 1 62 62 SER CA C 62 59.620 59.620 60.742 -1.122 19750 727 1 2 . 1 1 62 62 SER CB C 62 63.130 63.130 63.539 -0.409 19750 728 1 2 . 1 1 62 62 SER H H 62 7.893 7.893 7.723 0.170 19750 729 1 2 . 1 1 63 63 GLN N N 63 120.400 120.400 120.448 -0.048 19750 730 1 2 . 1 1 63 63 GLN C C 63 176.070 176.070 175.043 1.027 19750 731 1 2 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.254 0.536 19750 732 1 2 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.699 1.001 19750 733 1 2 . 1 1 63 63 GLN H H 63 7.824 7.824 7.902 -0.078 19750 734 1 2 . 1 1 64 64 ASN N N 64 119.180 119.180 123.063 -3.883 19750 735 1 2 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.803 -0.108 19750 736 1 2 . 1 1 64 64 ASN C C 64 175.300 175.300 174.959 0.341 19750 737 1 2 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.810 0.469 19750 738 1 2 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.964 -1.624 19750 739 1 2 . 1 1 64 64 ASN H H 64 8.059 8.059 8.103 -0.044 19750 740 1 2 . 1 1 65 65 GLN N N 65 120.740 120.740 122.185 -1.445 19750 741 1 2 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.643 -0.323 19750 742 1 2 . 1 1 65 65 GLN C C 65 175.890 175.890 174.754 1.136 19750 743 1 2 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.351 0.349 19750 744 1 2 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.629 -2.099 19750 745 1 2 . 1 1 65 65 GLN H H 65 8.144 8.144 8.536 -0.392 19750 746 1 2 . 1 1 66 66 GLN N N 66 121.070 121.070 121.526 -0.456 19750 747 1 2 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.373 -0.053 19750 748 1 2 . 1 1 66 66 GLN C C 66 175.840 175.840 175.181 0.659 19750 749 1 2 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.196 -0.586 19750 750 1 2 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.250 -1.580 19750 751 1 2 . 1 1 66 66 GLN H H 66 8.199 8.199 8.706 -0.506 19750 752 1 2 . 1 1 67 67 GLU N N 67 122.320 122.320 121.432 0.888 19750 753 1 2 . 1 1 67 67 GLU C C 67 175.200 175.200 175.400 -0.200 19750 754 1 2 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.471 -0.820 19750 755 1 2 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.173 -1.763 19750 756 1 2 . 1 1 67 67 GLU H H 67 8.194 8.194 8.502 -0.308 19750 757 1 3 . 1 1 2 2 GLY N N 2 110.890 110.890 111.574 -0.684 19750 758 1 3 . 1 1 2 2 GLY C C 2 174.890 174.890 174.533 0.357 19750 759 1 3 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.011 0.539 19750 760 1 3 . 1 1 2 2 GLY H H 2 8.294 8.294 7.916 0.378 19750 761 1 3 . 1 1 3 3 ILE N N 3 120.800 120.800 121.000 -0.200 19750 762 1 3 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.839 0.193 19750 763 1 3 . 1 1 3 3 ILE C C 3 176.740 176.740 177.546 -0.806 19750 764 1 3 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.011 -0.771 19750 765 1 3 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.484 -1.024 19750 766 1 3 . 1 1 3 3 ILE H H 3 7.861 7.861 8.162 -0.301 19750 767 1 3 . 1 1 4 4 VAL N N 4 121.090 121.090 119.576 1.514 19750 768 1 3 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.819 0.064 19750 769 1 3 . 1 1 4 4 VAL C C 4 176.990 176.990 177.643 -0.653 19750 770 1 3 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.556 -1.936 19750 771 1 3 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.703 -0.533 19750 772 1 3 . 1 1 4 4 VAL H H 4 7.857 7.857 7.830 0.027 19750 773 1 3 . 1 1 5 5 GLN N N 5 121.380 121.380 119.889 1.491 19750 774 1 3 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.906 0.329 19750 775 1 3 . 1 1 5 5 GLN C C 5 176.960 176.960 178.042 -1.082 19750 776 1 3 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.520 -2.769 19750 777 1 3 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.136 0.114 19750 778 1 3 . 1 1 5 5 GLN H H 5 8.051 8.051 8.661 -0.610 19750 779 1 3 . 1 1 6 6 GLN N N 6 119.480 119.480 118.023 1.457 19750 780 1 3 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.943 0.425 19750 781 1 3 . 1 1 6 6 GLN C C 6 176.720 176.720 178.628 -1.908 19750 782 1 3 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.935 -2.815 19750 783 1 3 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.395 -0.175 19750 784 1 3 . 1 1 6 6 GLN H H 6 8.018 8.018 7.688 0.330 19750 785 1 3 . 1 1 7 7 GLN N N 7 120.360 120.360 118.606 1.754 19750 786 1 3 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.015 0.174 19750 787 1 3 . 1 1 7 7 GLN C C 7 176.180 176.180 178.742 -2.562 19750 788 1 3 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.760 -1.910 19750 789 1 3 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.369 -0.289 19750 790 1 3 . 1 1 7 7 GLN H H 7 8.151 8.151 7.781 0.370 19750 791 1 3 . 1 1 8 8 ASN N N 8 119.230 119.230 118.342 0.888 19750 792 1 3 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.578 -0.126 19750 793 1 3 . 1 1 8 8 ASN C C 8 176.300 176.300 177.647 -1.347 19750 794 1 3 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.522 -0.722 19750 795 1 3 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.198 0.002 19750 796 1 3 . 1 1 8 8 ASN H H 8 8.256 8.256 8.637 -0.381 19750 797 1 3 . 1 1 9 9 ASN N N 9 119.840 119.840 120.016 -0.176 19750 798 1 3 . 1 1 9 9 ASN C C 9 177.150 177.150 177.328 -0.178 19750 799 1 3 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.207 -0.267 19750 800 1 3 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.541 -0.861 19750 801 1 3 . 1 1 9 9 ASN H H 9 8.319 8.319 8.485 -0.166 19750 802 1 3 . 1 1 10 10 LEU N N 10 122.900 122.900 122.369 0.531 19750 803 1 3 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.046 0.088 19750 804 1 3 . 1 1 10 10 LEU C C 10 178.050 178.050 178.154 -0.104 19750 805 1 3 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.369 -0.679 19750 806 1 3 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.032 -1.272 19750 807 1 3 . 1 1 10 10 LEU H H 10 8.194 8.194 8.564 -0.370 19750 808 1 3 . 1 1 11 11 LEU N N 11 118.800 118.800 117.474 1.326 19750 809 1 3 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.038 -0.030 19750 810 1 3 . 1 1 11 11 LEU C C 11 178.830 178.830 178.740 0.090 19750 811 1 3 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.113 0.557 19750 812 1 3 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.969 -1.739 19750 813 1 3 . 1 1 11 11 LEU H H 11 8.030 8.030 7.410 0.620 19750 814 1 3 . 1 1 12 12 ARG N N 12 117.710 117.710 118.261 -0.551 19750 815 1 3 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.116 -0.103 19750 816 1 3 . 1 1 12 12 ARG C C 12 178.840 178.840 178.482 0.358 19750 817 1 3 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.734 -0.115 19750 818 1 3 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.236 -1.186 19750 819 1 3 . 1 1 12 12 ARG H H 12 7.845 7.845 7.428 0.417 19750 820 1 3 . 1 1 13 13 ALA N N 13 121.870 121.870 122.617 -0.747 19750 821 1 3 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.107 0.087 19750 822 1 3 . 1 1 13 13 ALA C C 13 180.040 180.040 179.045 0.995 19750 823 1 3 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.769 -0.289 19750 824 1 3 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.291 -0.791 19750 825 1 3 . 1 1 13 13 ALA H H 13 7.681 7.681 8.519 -0.838 19750 826 1 3 . 1 1 14 14 ILE N N 14 118.010 118.010 118.199 -0.189 19750 827 1 3 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.695 0.038 19750 828 1 3 . 1 1 14 14 ILE C C 14 177.760 177.760 178.263 -0.503 19750 829 1 3 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.128 -0.788 19750 830 1 3 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.294 -1.094 19750 831 1 3 . 1 1 14 14 ILE H H 14 7.975 7.975 7.575 0.400 19750 832 1 3 . 1 1 15 15 GLU N N 15 117.430 117.430 117.968 -0.538 19750 833 1 3 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.403 -0.451 19750 834 1 3 . 1 1 15 15 GLU C C 15 177.030 177.030 177.986 -0.956 19750 835 1 3 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.859 -0.939 19750 836 1 3 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.768 -2.348 19750 837 1 3 . 1 1 15 15 GLU H H 15 8.110 8.110 8.245 -0.135 19750 838 1 3 . 1 1 16 16 ALA N N 16 119.580 119.580 119.597 -0.017 19750 839 1 3 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.312 0.031 19750 840 1 3 . 1 1 16 16 ALA C C 16 178.570 178.570 177.029 1.541 19750 841 1 3 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.760 -0.109 19750 842 1 3 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.169 0.911 19750 843 1 3 . 1 1 16 16 ALA H H 16 7.457 7.457 7.804 -0.347 19750 844 1 3 . 1 1 17 17 GLN N N 17 118.840 118.840 113.969 4.871 19750 845 1 3 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.470 -0.039 19750 846 1 3 . 1 1 17 17 GLN C C 17 176.160 176.160 176.367 -0.207 19750 847 1 3 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.560 -0.930 19750 848 1 3 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.370 -2.990 19750 849 1 3 . 1 1 17 17 GLN H H 17 7.642 7.642 8.072 -0.430 19750 850 1 3 . 1 1 18 18 GLN N N 18 120.730 120.730 120.944 -0.214 19750 851 1 3 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.956 0.061 19750 852 1 3 . 1 1 18 18 GLN C C 18 177.480 177.480 177.501 -0.021 19750 853 1 3 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.426 -1.137 19750 854 1 3 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.730 -0.610 19750 855 1 3 . 1 1 18 18 GLN H H 18 7.975 7.975 7.610 0.365 19750 856 1 3 . 1 1 19 19 HIS N N 19 117.470 117.470 118.711 -1.241 19750 857 1 3 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.389 0.285 19750 858 1 3 . 1 1 19 19 HIS C C 19 176.330 176.330 177.501 -1.171 19750 859 1 3 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.550 -2.590 19750 860 1 3 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.507 -2.087 19750 861 1 3 . 1 1 19 19 HIS H H 19 8.697 8.697 8.454 0.243 19750 862 1 3 . 1 1 20 20 LEU N N 20 120.410 120.410 122.010 -1.600 19750 863 1 3 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.143 -0.093 19750 864 1 3 . 1 1 20 20 LEU C C 20 179.680 179.680 178.352 1.328 19750 865 1 3 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.585 0.155 19750 866 1 3 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.189 -0.359 19750 867 1 3 . 1 1 20 20 LEU H H 20 8.026 8.026 8.396 -0.370 19750 868 1 3 . 1 1 21 21 LEU N N 21 121.930 121.930 119.293 2.637 19750 869 1 3 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.963 0.096 19750 870 1 3 . 1 1 21 21 LEU C C 21 178.540 178.540 179.403 -0.863 19750 871 1 3 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.591 -0.461 19750 872 1 3 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.752 -0.622 19750 873 1 3 . 1 1 21 21 LEU H H 21 8.433 8.433 7.628 0.805 19750 874 1 3 . 1 1 22 22 GLN N N 22 118.540 118.540 118.004 0.536 19750 875 1 3 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.184 -0.171 19750 876 1 3 . 1 1 22 22 GLN C C 22 179.430 179.430 178.670 0.760 19750 877 1 3 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.636 0.264 19750 878 1 3 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.532 -1.062 19750 879 1 3 . 1 1 22 22 GLN H H 22 8.087 8.087 7.579 0.508 19750 880 1 3 . 1 1 23 23 LEU N N 23 120.750 120.750 121.044 -0.294 19750 881 1 3 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.018 0.213 19750 882 1 3 . 1 1 23 23 LEU C C 23 178.420 178.420 178.874 -0.454 19750 883 1 3 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.150 -0.520 19750 884 1 3 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.143 -0.853 19750 885 1 3 . 1 1 23 23 LEU H H 23 8.013 8.013 8.612 -0.599 19750 886 1 3 . 1 1 24 24 THR N N 24 116.790 116.790 115.623 1.167 19750 887 1 3 . 1 1 24 24 THR C C 24 176.180 176.180 176.701 -0.521 19750 888 1 3 . 1 1 24 24 THR H H 24 8.024 8.024 8.461 -0.437 19750 889 1 3 . 1 1 25 25 VAL N N 25 121.130 121.130 121.227 -0.097 19750 890 1 3 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.888 -0.313 19750 891 1 3 . 1 1 25 25 VAL C C 25 177.600 177.600 177.939 -0.339 19750 892 1 3 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.234 0.586 19750 893 1 3 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.570 -0.740 19750 894 1 3 . 1 1 25 25 VAL H H 25 8.068 8.068 7.472 0.596 19750 895 1 3 . 1 1 26 26 TRP N N 26 120.520 120.520 120.259 0.261 19750 896 1 3 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.712 -0.532 19750 897 1 3 . 1 1 26 26 TRP C C 26 178.700 178.700 178.618 0.082 19750 898 1 3 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.547 0.883 19750 899 1 3 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.959 -1.218 19750 900 1 3 . 1 1 26 26 TRP H H 26 7.983 7.983 8.868 -0.885 19750 901 1 3 . 1 1 27 27 GLY N N 27 107.880 107.880 108.617 -0.737 19750 902 1 3 . 1 1 27 27 GLY C C 27 174.990 174.990 175.799 -0.809 19750 903 1 3 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.071 0.169 19750 904 1 3 . 1 1 27 27 GLY H H 27 8.846 8.846 8.662 0.184 19750 905 1 3 . 1 1 28 28 ILE N N 28 122.330 122.330 117.542 4.788 19750 906 1 3 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.939 -0.327 19750 907 1 3 . 1 1 28 28 ILE C C 28 178.030 178.030 177.279 0.751 19750 908 1 3 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.000 0.860 19750 909 1 3 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.522 -1.012 19750 910 1 3 . 1 1 28 28 ILE H H 28 8.427 8.427 7.683 0.744 19750 911 1 3 . 1 1 29 29 LYS N N 29 119.850 119.850 121.289 -1.439 19750 912 1 3 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.996 0.026 19750 913 1 3 . 1 1 29 29 LYS C C 29 180.050 180.050 178.774 1.276 19750 914 1 3 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.058 0.212 19750 915 1 3 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.992 -1.312 19750 916 1 3 . 1 1 29 29 LYS H H 29 7.993 7.993 7.508 0.485 19750 917 1 3 . 1 1 30 30 GLN N N 30 118.870 118.870 118.521 0.349 19750 918 1 3 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.070 -0.230 19750 919 1 3 . 1 1 30 30 GLN C C 30 178.750 178.750 178.546 0.204 19750 920 1 3 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.410 -1.250 19750 921 1 3 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.462 -1.603 19750 922 1 3 . 1 1 30 30 GLN H H 30 7.800 7.800 7.786 0.014 19750 923 1 3 . 1 1 31 31 LEU N N 31 120.220 120.220 120.461 -0.241 19750 924 1 3 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.217 -0.251 19750 925 1 3 . 1 1 31 31 LEU C C 31 179.300 179.300 178.811 0.489 19750 926 1 3 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.874 -0.664 19750 927 1 3 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.824 -1.164 19750 928 1 3 . 1 1 31 31 LEU H H 31 7.873 7.873 7.625 0.248 19750 929 1 3 . 1 1 32 32 GLN N N 32 118.830 118.830 119.865 -1.035 19750 930 1 3 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.873 0.070 19750 931 1 3 . 1 1 32 32 GLN C C 32 177.910 177.910 177.914 -0.004 19750 932 1 3 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.835 -0.615 19750 933 1 3 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.623 -0.603 19750 934 1 3 . 1 1 32 32 GLN H H 32 8.216 8.216 7.927 0.289 19750 935 1 3 . 1 1 33 33 ALA N N 33 121.340 121.340 118.167 3.173 19750 936 1 3 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.165 0.020 19750 937 1 3 . 1 1 33 33 ALA C C 33 179.050 179.050 178.058 0.992 19750 938 1 3 . 1 1 33 33 ALA CA C 33 53.460 53.460 52.950 0.510 19750 939 1 3 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.432 -0.712 19750 940 1 3 . 1 1 33 33 ALA H H 33 7.647 7.647 7.560 0.087 19750 941 1 3 . 1 1 34 34 ARG N N 34 117.580 117.580 118.322 -0.742 19750 942 1 3 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.138 0.168 19750 943 1 3 . 1 1 34 34 ARG C C 34 176.800 176.800 176.757 0.043 19750 944 1 3 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.176 -0.946 19750 945 1 3 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.539 -0.889 19750 946 1 3 . 1 1 34 34 ARG H H 34 7.612 7.612 8.039 -0.427 19750 947 1 3 . 1 1 35 35 SER N N 35 114.960 114.960 113.515 1.445 19750 948 1 3 . 1 1 35 35 SER HA H 35 4.343 4.343 4.475 -0.132 19750 949 1 3 . 1 1 35 35 SER C C 35 175.290 175.290 175.829 -0.539 19750 950 1 3 . 1 1 35 35 SER CA C 35 58.930 58.930 58.036 0.894 19750 951 1 3 . 1 1 35 35 SER CB C 35 63.370 63.370 64.537 -1.167 19750 952 1 3 . 1 1 35 35 SER H H 35 7.827 7.827 7.497 0.330 19750 953 1 3 . 1 1 36 36 GLY N N 36 110.340 110.340 109.968 0.372 19750 954 1 3 . 1 1 36 36 GLY C C 36 174.840 174.840 174.113 0.727 19750 955 1 3 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.162 1.178 19750 956 1 3 . 1 1 36 36 GLY H H 36 8.132 8.132 8.625 -0.493 19750 957 1 3 . 1 1 37 37 GLY N N 37 108.880 108.880 106.973 1.907 19750 958 1 3 . 1 1 37 37 GLY C C 37 174.400 174.400 174.639 -0.239 19750 959 1 3 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.527 0.443 19750 960 1 3 . 1 1 37 37 GLY H H 37 8.190 8.190 7.369 0.821 19750 961 1 3 . 1 1 38 38 ARG N N 38 120.630 120.630 121.630 -1.000 19750 962 1 3 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.506 -0.191 19750 963 1 3 . 1 1 38 38 ARG C C 38 176.900 176.900 175.895 1.005 19750 964 1 3 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.720 0.330 19750 965 1 3 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.668 0.082 19750 966 1 3 . 1 1 38 38 ARG H H 38 8.118 8.118 8.415 -0.297 19750 967 1 3 . 1 1 39 39 GLY N N 39 109.360 109.360 108.729 0.631 19750 968 1 3 . 1 1 39 39 GLY C C 39 174.690 174.690 173.936 0.754 19750 969 1 3 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.626 0.494 19750 970 1 3 . 1 1 39 39 GLY H H 39 8.374 8.374 8.170 0.204 19750 971 1 3 . 1 1 40 40 GLY N N 40 109.060 109.060 107.814 1.246 19750 972 1 3 . 1 1 40 40 GLY C C 40 174.680 174.680 174.063 0.617 19750 973 1 3 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.787 0.293 19750 974 1 3 . 1 1 40 40 GLY H H 40 7.995 7.995 8.434 -0.439 19750 975 1 3 . 1 1 41 41 TRP N N 41 121.260 121.260 127.386 -6.126 19750 976 1 3 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.751 -0.352 19750 977 1 3 . 1 1 41 41 TRP C C 41 177.300 177.300 176.237 1.063 19750 978 1 3 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.221 1.359 19750 979 1 3 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.843 -2.153 19750 980 1 3 . 1 1 41 41 TRP H H 41 8.176 8.176 8.947 -0.771 19750 981 1 3 . 1 1 42 42 MET N N 42 118.570 118.570 119.803 -1.233 19750 982 1 3 . 1 1 42 42 MET HA H 42 4.185 4.185 4.138 0.047 19750 983 1 3 . 1 1 42 42 MET C C 42 177.930 177.930 178.221 -0.291 19750 984 1 3 . 1 1 42 42 MET CA C 42 57.460 57.460 58.898 -1.438 19750 985 1 3 . 1 1 42 42 MET CB C 42 30.920 30.920 32.311 -1.391 19750 986 1 3 . 1 1 42 42 MET H H 42 8.120 8.120 8.211 -0.091 19750 987 1 3 . 1 1 43 43 GLU N N 43 119.600 119.600 119.067 0.533 19750 988 1 3 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.975 0.224 19750 989 1 3 . 1 1 43 43 GLU C C 43 177.980 177.980 178.792 -0.812 19750 990 1 3 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.014 -2.494 19750 991 1 3 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.993 -1.433 19750 992 1 3 . 1 1 43 43 GLU H H 43 7.834 7.834 8.761 -0.927 19750 993 1 3 . 1 1 44 44 TRP N N 44 120.890 120.890 117.292 3.598 19750 994 1 3 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.430 0.062 19750 995 1 3 . 1 1 44 44 TRP C C 44 177.480 177.480 177.749 -0.269 19750 996 1 3 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.958 0.002 19750 997 1 3 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.604 -0.184 19750 998 1 3 . 1 1 44 44 TRP H H 44 7.824 7.824 8.587 -0.763 19750 999 1 3 . 1 1 45 45 ASP N N 45 118.210 118.210 117.945 0.265 19750 1000 1 3 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.614 -0.262 19750 1001 1 3 . 1 1 45 45 ASP C C 45 177.070 177.070 176.963 0.107 19750 1002 1 3 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.179 -0.229 19750 1003 1 3 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.778 -2.518 19750 1004 1 3 . 1 1 45 45 ASP H H 45 8.325 8.325 7.808 0.517 19750 1005 1 3 . 1 1 46 46 ARG N N 46 119.510 119.510 119.659 -0.149 19750 1006 1 3 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.358 -0.257 19750 1007 1 3 . 1 1 46 46 ARG C C 46 178.410 178.410 177.986 0.424 19750 1008 1 3 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.320 0.120 19750 1009 1 3 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.222 -2.032 19750 1010 1 3 . 1 1 46 46 ARG H H 46 7.860 7.860 8.118 -0.258 19750 1011 1 3 . 1 1 47 47 GLU N N 47 118.470 118.470 120.893 -2.423 19750 1012 1 3 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.162 0.125 19750 1013 1 3 . 1 1 47 47 GLU C C 47 178.170 178.170 178.618 -0.448 19750 1014 1 3 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.117 -1.307 19750 1015 1 3 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.468 -1.748 19750 1016 1 3 . 1 1 47 47 GLU H H 47 7.874 7.874 7.619 0.255 19750 1017 1 3 . 1 1 48 48 ILE N N 48 118.800 118.800 115.121 3.679 19750 1018 1 3 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.789 0.140 19750 1019 1 3 . 1 1 48 48 ILE C C 48 178.060 178.060 177.301 0.759 19750 1020 1 3 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.986 0.044 19750 1021 1 3 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.422 -0.431 19750 1022 1 3 . 1 1 48 48 ILE H H 48 8.199 8.199 7.576 0.623 19750 1023 1 3 . 1 1 49 49 ASN N N 49 119.580 119.580 118.956 0.624 19750 1024 1 3 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.675 -0.076 19750 1025 1 3 . 1 1 49 49 ASN C C 49 177.110 177.110 177.061 0.049 19750 1026 1 3 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.522 0.178 19750 1027 1 3 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.180 -0.100 19750 1028 1 3 . 1 1 49 49 ASN H H 49 8.085 8.085 7.991 0.094 19750 1029 1 3 . 1 1 50 50 ASN N N 50 118.690 118.690 120.096 -1.406 19750 1030 1 3 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.420 0.114 19750 1031 1 3 . 1 1 50 50 ASN C C 50 177.120 177.120 177.332 -0.212 19750 1032 1 3 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.480 -1.420 19750 1033 1 3 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.555 -0.875 19750 1034 1 3 . 1 1 50 50 ASN H H 50 8.020 8.020 8.053 -0.033 19750 1035 1 3 . 1 1 51 51 TYR N N 51 118.430 118.430 117.958 0.472 19750 1036 1 3 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.455 0.079 19750 1037 1 3 . 1 1 51 51 TYR C C 51 177.480 177.480 176.214 1.266 19750 1038 1 3 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.072 0.358 19750 1039 1 3 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.720 -1.010 19750 1040 1 3 . 1 1 51 51 TYR H H 51 8.106 8.106 7.726 0.380 19750 1041 1 3 . 1 1 52 52 THR N N 52 114.470 114.470 115.104 -0.634 19750 1042 1 3 . 1 1 52 52 THR HA H 52 3.943 3.943 4.283 -0.340 19750 1043 1 3 . 1 1 52 52 THR C C 52 176.970 176.970 176.067 0.903 19750 1044 1 3 . 1 1 52 52 THR CA C 52 66.220 66.220 65.396 0.824 19750 1045 1 3 . 1 1 52 52 THR CB C 52 67.580 67.580 69.104 -1.524 19750 1046 1 3 . 1 1 52 52 THR H H 52 8.247 8.247 7.963 0.284 19750 1047 1 3 . 1 1 53 53 SER N N 53 118.260 118.260 118.496 -0.236 19750 1048 1 3 . 1 1 53 53 SER HA H 53 4.338 4.338 4.461 -0.123 19750 1049 1 3 . 1 1 53 53 SER C C 53 176.990 176.990 175.874 1.116 19750 1050 1 3 . 1 1 53 53 SER CA C 53 61.300 61.300 60.999 0.301 19750 1051 1 3 . 1 1 53 53 SER CB C 53 62.020 62.020 63.072 -1.052 19750 1052 1 3 . 1 1 53 53 SER H H 53 8.064 8.064 7.753 0.311 19750 1053 1 3 . 1 1 54 54 LEU N N 54 123.950 123.950 122.701 1.249 19750 1054 1 3 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.089 0.161 19750 1055 1 3 . 1 1 54 54 LEU C C 54 179.060 179.060 177.607 1.453 19750 1056 1 3 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.596 0.094 19750 1057 1 3 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.166 -1.175 19750 1058 1 3 . 1 1 54 54 LEU H H 54 7.631 7.631 7.329 0.302 19750 1059 1 3 . 1 1 55 55 ILE N N 55 118.770 118.770 116.067 2.703 19750 1060 1 3 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.913 -0.194 19750 1061 1 3 . 1 1 55 55 ILE C C 55 177.570 177.570 176.842 0.728 19750 1062 1 3 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.027 2.493 19750 1063 1 3 . 1 1 55 55 ILE CB C 55 36.460 36.460 38.007 -1.547 19750 1064 1 3 . 1 1 55 55 ILE H H 55 8.051 8.051 7.510 0.541 19750 1065 1 3 . 1 1 56 56 HIS N N 56 117.770 117.770 120.545 -2.775 19750 1066 1 3 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.433 -0.178 19750 1067 1 3 . 1 1 56 56 HIS C C 56 176.790 176.790 177.109 -0.319 19750 1068 1 3 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.297 -0.207 19750 1069 1 3 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.767 -2.167 19750 1070 1 3 . 1 1 56 56 HIS H H 56 8.339 8.339 7.778 0.561 19750 1071 1 3 . 1 1 57 57 SER N N 57 115.350 115.350 115.110 0.240 19750 1072 1 3 . 1 1 57 57 SER HA H 57 4.245 4.245 4.281 -0.036 19750 1073 1 3 . 1 1 57 57 SER C C 57 175.990 175.990 175.974 0.016 19750 1074 1 3 . 1 1 57 57 SER CA C 57 61.580 61.580 60.952 0.628 19750 1075 1 3 . 1 1 57 57 SER CB C 57 62.280 62.280 62.876 -0.596 19750 1076 1 3 . 1 1 57 57 SER H H 57 8.137 8.137 7.823 0.314 19750 1077 1 3 . 1 1 58 58 LEU N N 58 122.540 122.540 123.596 -1.056 19750 1078 1 3 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.179 -0.017 19750 1079 1 3 . 1 1 58 58 LEU C C 58 178.930 178.930 178.179 0.751 19750 1080 1 3 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.388 -0.098 19750 1081 1 3 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.191 -1.001 19750 1082 1 3 . 1 1 58 58 LEU H H 58 7.914 7.914 7.552 0.362 19750 1083 1 3 . 1 1 59 59 ILE N N 59 118.010 118.010 119.961 -1.951 19750 1084 1 3 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.644 0.145 19750 1085 1 3 . 1 1 59 59 ILE C C 59 178.120 178.120 177.768 0.352 19750 1086 1 3 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.491 -1.661 19750 1087 1 3 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.057 -0.907 19750 1088 1 3 . 1 1 59 59 ILE H H 59 7.921 7.921 7.552 0.369 19750 1089 1 3 . 1 1 60 60 GLU N N 60 119.640 119.640 119.309 0.331 19750 1090 1 3 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.748 0.386 19750 1091 1 3 . 1 1 60 60 GLU C C 60 177.950 177.950 177.796 0.154 19750 1092 1 3 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.555 -1.995 19750 1093 1 3 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.317 -1.607 19750 1094 1 3 . 1 1 60 60 GLU H H 60 7.925 7.925 7.630 0.295 19750 1095 1 3 . 1 1 61 61 GLU N N 61 118.990 118.990 116.946 2.044 19750 1096 1 3 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.104 0.141 19750 1097 1 3 . 1 1 61 61 GLU C C 61 177.450 177.450 178.593 -1.143 19750 1098 1 3 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.732 -1.632 19750 1099 1 3 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.766 -2.146 19750 1100 1 3 . 1 1 61 61 GLU H H 61 8.048 8.048 7.624 0.424 19750 1101 1 3 . 1 1 62 62 SER N N 62 115.260 115.260 115.076 0.184 19750 1102 1 3 . 1 1 62 62 SER HA H 62 4.324 4.324 4.276 0.048 19750 1103 1 3 . 1 1 62 62 SER C C 62 174.940 174.940 177.045 -2.105 19750 1104 1 3 . 1 1 62 62 SER CA C 62 59.620 59.620 60.710 -1.090 19750 1105 1 3 . 1 1 62 62 SER CB C 62 63.130 63.130 63.038 0.092 19750 1106 1 3 . 1 1 62 62 SER H H 62 7.893 7.893 7.618 0.275 19750 1107 1 3 . 1 1 63 63 GLN N N 63 120.400 120.400 120.863 -0.463 19750 1108 1 3 . 1 1 63 63 GLN C C 63 176.070 176.070 175.200 0.870 19750 1109 1 3 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.754 0.036 19750 1110 1 3 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.140 1.560 19750 1111 1 3 . 1 1 63 63 GLN H H 63 7.824 7.824 8.090 -0.266 19750 1112 1 3 . 1 1 64 64 ASN N N 64 119.180 119.180 118.493 0.687 19750 1113 1 3 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.433 0.262 19750 1114 1 3 . 1 1 64 64 ASN C C 64 175.300 175.300 174.551 0.749 19750 1115 1 3 . 1 1 64 64 ASN CA C 64 53.280 53.280 54.681 -1.401 19750 1116 1 3 . 1 1 64 64 ASN CB C 64 38.340 38.340 38.837 -0.497 19750 1117 1 3 . 1 1 64 64 ASN H H 64 8.059 8.059 8.533 -0.474 19750 1118 1 3 . 1 1 65 65 GLN N N 65 120.740 120.740 122.989 -2.249 19750 1119 1 3 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.555 -0.235 19750 1120 1 3 . 1 1 65 65 GLN C C 65 175.890 175.890 175.155 0.735 19750 1121 1 3 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.167 0.533 19750 1122 1 3 . 1 1 65 65 GLN CB C 65 28.530 28.530 32.247 -3.717 19750 1123 1 3 . 1 1 65 65 GLN H H 65 8.144 8.144 8.711 -0.567 19750 1124 1 3 . 1 1 66 66 GLN N N 66 121.070 121.070 119.654 1.416 19750 1125 1 3 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.381 -0.061 19750 1126 1 3 . 1 1 66 66 GLN C C 66 175.840 175.840 174.832 1.008 19750 1127 1 3 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.297 -0.688 19750 1128 1 3 . 1 1 66 66 GLN CB C 66 28.670 28.670 29.846 -1.176 19750 1129 1 3 . 1 1 66 66 GLN H H 66 8.199 8.199 8.663 -0.464 19750 1130 1 3 . 1 1 67 67 GLU N N 67 122.320 122.320 121.368 0.952 19750 1131 1 3 . 1 1 67 67 GLU C C 67 175.200 175.200 175.288 -0.088 19750 1132 1 3 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.510 -0.859 19750 1133 1 3 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.285 -1.875 19750 1134 1 3 . 1 1 67 67 GLU H H 67 8.194 8.194 8.491 -0.297 19750 1135 1 4 . 1 1 2 2 GLY N N 2 110.890 110.890 111.192 -0.302 19750 1136 1 4 . 1 1 2 2 GLY C C 2 174.890 174.890 174.000 0.890 19750 1137 1 4 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.412 0.138 19750 1138 1 4 . 1 1 2 2 GLY H H 2 8.294 8.294 7.914 0.380 19750 1139 1 4 . 1 1 3 3 ILE N N 3 120.800 120.800 123.121 -2.321 19750 1140 1 4 . 1 1 3 3 ILE HA H 3 4.032 4.032 4.173 -0.141 19750 1141 1 4 . 1 1 3 3 ILE C C 3 176.740 176.740 176.907 -0.167 19750 1142 1 4 . 1 1 3 3 ILE CA C 3 62.240 62.240 61.544 0.696 19750 1143 1 4 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.971 -1.512 19750 1144 1 4 . 1 1 3 3 ILE H H 3 7.861 7.861 8.403 -0.542 19750 1145 1 4 . 1 1 4 4 VAL N N 4 121.090 121.090 120.634 0.456 19750 1146 1 4 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.894 -0.011 19750 1147 1 4 . 1 1 4 4 VAL C C 4 176.990 176.990 177.390 -0.400 19750 1148 1 4 . 1 1 4 4 VAL CA C 4 63.620 63.620 64.853 -1.233 19750 1149 1 4 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.790 -0.620 19750 1150 1 4 . 1 1 4 4 VAL H H 4 7.857 7.857 7.866 -0.009 19750 1151 1 4 . 1 1 5 5 GLN N N 5 121.380 121.380 119.940 1.440 19750 1152 1 4 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.896 0.339 19750 1153 1 4 . 1 1 5 5 GLN C C 5 176.960 176.960 177.766 -0.806 19750 1154 1 4 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.697 -2.947 19750 1155 1 4 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.152 0.098 19750 1156 1 4 . 1 1 5 5 GLN H H 5 8.051 8.051 8.595 -0.544 19750 1157 1 4 . 1 1 6 6 GLN N N 6 119.480 119.480 117.743 1.737 19750 1158 1 4 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.942 0.426 19750 1159 1 4 . 1 1 6 6 GLN C C 6 176.720 176.720 178.587 -1.867 19750 1160 1 4 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.951 -2.831 19750 1161 1 4 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.098 0.122 19750 1162 1 4 . 1 1 6 6 GLN H H 6 8.018 8.018 8.563 -0.545 19750 1163 1 4 . 1 1 7 7 GLN N N 7 120.360 120.360 118.770 1.590 19750 1164 1 4 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.006 0.183 19750 1165 1 4 . 1 1 7 7 GLN C C 7 176.180 176.180 178.754 -2.574 19750 1166 1 4 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.742 -1.892 19750 1167 1 4 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.295 -0.215 19750 1168 1 4 . 1 1 7 7 GLN H H 7 8.151 8.151 7.925 0.226 19750 1169 1 4 . 1 1 8 8 ASN N N 8 119.230 119.230 118.406 0.824 19750 1170 1 4 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.584 -0.132 19750 1171 1 4 . 1 1 8 8 ASN C C 8 176.300 176.300 177.789 -1.489 19750 1172 1 4 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.353 -0.554 19750 1173 1 4 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.146 0.054 19750 1174 1 4 . 1 1 8 8 ASN H H 8 8.256 8.256 8.563 -0.307 19750 1175 1 4 . 1 1 9 9 ASN N N 9 119.840 119.840 120.309 -0.469 19750 1176 1 4 . 1 1 9 9 ASN C C 9 177.150 177.150 177.646 -0.496 19750 1177 1 4 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.560 -0.620 19750 1178 1 4 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.419 -0.739 19750 1179 1 4 . 1 1 9 9 ASN H H 9 8.319 8.319 8.559 -0.240 19750 1180 1 4 . 1 1 10 10 LEU N N 10 122.900 122.900 122.188 0.712 19750 1181 1 4 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.060 0.074 19750 1182 1 4 . 1 1 10 10 LEU C C 10 178.050 178.050 178.084 -0.034 19750 1183 1 4 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.343 -0.653 19750 1184 1 4 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.021 -1.261 19750 1185 1 4 . 1 1 10 10 LEU H H 10 8.194 8.194 8.523 -0.329 19750 1186 1 4 . 1 1 11 11 LEU N N 11 118.800 118.800 117.862 0.938 19750 1187 1 4 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.006 0.002 19750 1188 1 4 . 1 1 11 11 LEU C C 11 178.830 178.830 178.934 -0.104 19750 1189 1 4 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.371 0.299 19750 1190 1 4 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.951 -1.721 19750 1191 1 4 . 1 1 11 11 LEU H H 11 8.030 8.030 7.391 0.639 19750 1192 1 4 . 1 1 12 12 ARG N N 12 117.710 117.710 117.937 -0.227 19750 1193 1 4 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.151 -0.138 19750 1194 1 4 . 1 1 12 12 ARG C C 12 178.840 178.840 178.411 0.429 19750 1195 1 4 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.580 0.041 19750 1196 1 4 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.290 -1.240 19750 1197 1 4 . 1 1 12 12 ARG H H 12 7.845 7.845 7.575 0.270 19750 1198 1 4 . 1 1 13 13 ALA N N 13 121.870 121.870 123.338 -1.468 19750 1199 1 4 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.086 0.108 19750 1200 1 4 . 1 1 13 13 ALA C C 13 180.040 180.040 179.174 0.866 19750 1201 1 4 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.863 -0.383 19750 1202 1 4 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.311 -0.811 19750 1203 1 4 . 1 1 13 13 ALA H H 13 7.681 7.681 8.399 -0.718 19750 1204 1 4 . 1 1 14 14 ILE N N 14 118.010 118.010 118.075 -0.065 19750 1205 1 4 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.677 0.056 19750 1206 1 4 . 1 1 14 14 ILE C C 14 177.760 177.760 178.302 -0.542 19750 1207 1 4 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.184 -0.844 19750 1208 1 4 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.226 -1.026 19750 1209 1 4 . 1 1 14 14 ILE H H 14 7.975 7.975 7.487 0.488 19750 1210 1 4 . 1 1 15 15 GLU N N 15 117.430 117.430 118.174 -0.744 19750 1211 1 4 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.394 -0.442 19750 1212 1 4 . 1 1 15 15 GLU C C 15 177.030 177.030 178.571 -1.541 19750 1213 1 4 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.950 -1.030 19750 1214 1 4 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.864 -2.444 19750 1215 1 4 . 1 1 15 15 GLU H H 15 8.110 8.110 8.274 -0.164 19750 1216 1 4 . 1 1 16 16 ALA N N 16 119.580 119.580 121.024 -1.444 19750 1217 1 4 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.274 0.069 19750 1218 1 4 . 1 1 16 16 ALA C C 16 178.570 178.570 176.904 1.666 19750 1219 1 4 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.909 -0.259 19750 1220 1 4 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.010 1.070 19750 1221 1 4 . 1 1 16 16 ALA H H 16 7.457 7.457 7.913 -0.456 19750 1222 1 4 . 1 1 17 17 GLN N N 17 118.840 118.840 113.784 5.056 19750 1223 1 4 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.451 -0.020 19750 1224 1 4 . 1 1 17 17 GLN C C 17 176.160 176.160 176.260 -0.100 19750 1225 1 4 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.600 -0.970 19750 1226 1 4 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.260 -2.880 19750 1227 1 4 . 1 1 17 17 GLN H H 17 7.642 7.642 8.155 -0.513 19750 1228 1 4 . 1 1 18 18 GLN N N 18 120.730 120.730 121.010 -0.280 19750 1229 1 4 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.965 0.052 19750 1230 1 4 . 1 1 18 18 GLN C C 18 177.480 177.480 177.425 0.055 19750 1231 1 4 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.508 -1.218 19750 1232 1 4 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.791 -0.671 19750 1233 1 4 . 1 1 18 18 GLN H H 18 7.975 7.975 7.706 0.269 19750 1234 1 4 . 1 1 19 19 HIS N N 19 117.470 117.470 117.577 -0.107 19750 1235 1 4 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.392 0.282 19750 1236 1 4 . 1 1 19 19 HIS C C 19 176.330 176.330 177.247 -0.917 19750 1237 1 4 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.329 -2.369 19750 1238 1 4 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.279 -1.859 19750 1239 1 4 . 1 1 19 19 HIS H H 19 8.697 8.697 8.610 0.087 19750 1240 1 4 . 1 1 20 20 LEU N N 20 120.410 120.410 121.109 -0.699 19750 1241 1 4 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.149 -0.099 19750 1242 1 4 . 1 1 20 20 LEU C C 20 179.680 179.680 178.381 1.299 19750 1243 1 4 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.442 0.298 19750 1244 1 4 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.744 -0.914 19750 1245 1 4 . 1 1 20 20 LEU H H 20 8.026 8.026 7.988 0.038 19750 1246 1 4 . 1 1 21 21 LEU N N 21 121.930 121.930 119.316 2.614 19750 1247 1 4 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.972 0.087 19750 1248 1 4 . 1 1 21 21 LEU C C 21 178.540 178.540 179.377 -0.837 19750 1249 1 4 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.551 -0.421 19750 1250 1 4 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.817 -0.687 19750 1251 1 4 . 1 1 21 21 LEU H H 21 8.433 8.433 7.636 0.797 19750 1252 1 4 . 1 1 22 22 GLN N N 22 118.540 118.540 117.890 0.650 19750 1253 1 4 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.186 -0.173 19750 1254 1 4 . 1 1 22 22 GLN C C 22 179.430 179.430 178.687 0.743 19750 1255 1 4 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.470 0.430 19750 1256 1 4 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.524 -1.054 19750 1257 1 4 . 1 1 22 22 GLN H H 22 8.087 8.087 7.594 0.493 19750 1258 1 4 . 1 1 23 23 LEU N N 23 120.750 120.750 121.177 -0.427 19750 1259 1 4 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.068 0.163 19750 1260 1 4 . 1 1 23 23 LEU C C 23 178.420 178.420 178.817 -0.397 19750 1261 1 4 . 1 1 23 23 LEU CA C 23 57.630 57.630 57.990 -0.360 19750 1262 1 4 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.190 -0.900 19750 1263 1 4 . 1 1 23 23 LEU H H 23 8.013 8.013 8.379 -0.366 19750 1264 1 4 . 1 1 24 24 THR N N 24 116.790 116.790 115.882 0.908 19750 1265 1 4 . 1 1 24 24 THR C C 24 176.180 176.180 176.596 -0.416 19750 1266 1 4 . 1 1 24 24 THR H H 24 8.024 8.024 8.507 -0.483 19750 1267 1 4 . 1 1 25 25 VAL N N 25 121.130 121.130 121.244 -0.114 19750 1268 1 4 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.915 -0.340 19750 1269 1 4 . 1 1 25 25 VAL C C 25 177.600 177.600 177.761 -0.161 19750 1270 1 4 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.295 0.525 19750 1271 1 4 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.615 -0.785 19750 1272 1 4 . 1 1 25 25 VAL H H 25 8.068 8.068 7.477 0.591 19750 1273 1 4 . 1 1 26 26 TRP N N 26 120.520 120.520 120.375 0.145 19750 1274 1 4 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.755 -0.575 19750 1275 1 4 . 1 1 26 26 TRP C C 26 178.700 178.700 178.525 0.175 19750 1276 1 4 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.382 1.048 19750 1277 1 4 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.024 -1.284 19750 1278 1 4 . 1 1 26 26 TRP H H 26 7.983 7.983 8.738 -0.755 19750 1279 1 4 . 1 1 27 27 GLY N N 27 107.880 107.880 108.560 -0.680 19750 1280 1 4 . 1 1 27 27 GLY C C 27 174.990 174.990 175.828 -0.838 19750 1281 1 4 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.039 0.201 19750 1282 1 4 . 1 1 27 27 GLY H H 27 8.846 8.846 8.590 0.256 19750 1283 1 4 . 1 1 28 28 ILE N N 28 122.330 122.330 117.496 4.834 19750 1284 1 4 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.952 -0.340 19750 1285 1 4 . 1 1 28 28 ILE C C 28 178.030 178.030 177.264 0.766 19750 1286 1 4 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.999 0.861 19750 1287 1 4 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.530 -1.020 19750 1288 1 4 . 1 1 28 28 ILE H H 28 8.427 8.427 7.699 0.728 19750 1289 1 4 . 1 1 29 29 LYS N N 29 119.850 119.850 121.355 -1.505 19750 1290 1 4 . 1 1 29 29 LYS HA H 29 4.022 4.022 4.000 0.022 19750 1291 1 4 . 1 1 29 29 LYS C C 29 180.050 180.050 178.691 1.359 19750 1292 1 4 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.134 0.136 19750 1293 1 4 . 1 1 29 29 LYS CB C 29 30.680 30.680 32.028 -1.347 19750 1294 1 4 . 1 1 29 29 LYS H H 29 7.993 7.993 7.492 0.501 19750 1295 1 4 . 1 1 30 30 GLN N N 30 118.870 118.870 118.505 0.365 19750 1296 1 4 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.056 -0.216 19750 1297 1 4 . 1 1 30 30 GLN C C 30 178.750 178.750 178.488 0.262 19750 1298 1 4 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.464 -1.304 19750 1299 1 4 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.414 -1.554 19750 1300 1 4 . 1 1 30 30 GLN H H 30 7.800 7.800 7.865 -0.065 19750 1301 1 4 . 1 1 31 31 LEU N N 31 120.220 120.220 119.993 0.227 19750 1302 1 4 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.232 -0.266 19750 1303 1 4 . 1 1 31 31 LEU C C 31 179.300 179.300 178.939 0.361 19750 1304 1 4 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.831 -0.621 19750 1305 1 4 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.854 -1.194 19750 1306 1 4 . 1 1 31 31 LEU H H 31 7.873 7.873 7.576 0.297 19750 1307 1 4 . 1 1 32 32 GLN N N 32 118.830 118.830 119.927 -1.097 19750 1308 1 4 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.919 0.024 19750 1309 1 4 . 1 1 32 32 GLN C C 32 177.910 177.910 178.333 -0.423 19750 1310 1 4 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.776 -0.556 19750 1311 1 4 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.525 -0.505 19750 1312 1 4 . 1 1 32 32 GLN H H 32 8.216 8.216 7.979 0.237 19750 1313 1 4 . 1 1 33 33 ALA N N 33 121.340 121.340 119.276 2.064 19750 1314 1 4 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.156 0.029 19750 1315 1 4 . 1 1 33 33 ALA C C 33 179.050 179.050 177.736 1.314 19750 1316 1 4 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.234 0.226 19750 1317 1 4 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.373 -0.653 19750 1318 1 4 . 1 1 33 33 ALA H H 33 7.647 7.647 7.791 -0.144 19750 1319 1 4 . 1 1 34 34 ARG N N 34 117.580 117.580 118.901 -1.321 19750 1320 1 4 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.153 0.153 19750 1321 1 4 . 1 1 34 34 ARG C C 34 176.800 176.800 177.035 -0.235 19750 1322 1 4 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.204 -0.974 19750 1323 1 4 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.622 -0.972 19750 1324 1 4 . 1 1 34 34 ARG H H 34 7.612 7.612 7.951 -0.339 19750 1325 1 4 . 1 1 35 35 SER N N 35 114.960 114.960 114.289 0.671 19750 1326 1 4 . 1 1 35 35 SER HA H 35 4.343 4.343 4.444 -0.101 19750 1327 1 4 . 1 1 35 35 SER C C 35 175.290 175.290 175.322 -0.032 19750 1328 1 4 . 1 1 35 35 SER CA C 35 58.930 58.930 57.926 1.004 19750 1329 1 4 . 1 1 35 35 SER CB C 35 63.370 63.370 64.274 -0.904 19750 1330 1 4 . 1 1 35 35 SER H H 35 7.827 7.827 7.588 0.239 19750 1331 1 4 . 1 1 36 36 GLY N N 36 110.340 110.340 108.838 1.502 19750 1332 1 4 . 1 1 36 36 GLY C C 36 174.840 174.840 174.157 0.683 19750 1333 1 4 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.498 0.842 19750 1334 1 4 . 1 1 36 36 GLY H H 36 8.132 8.132 8.400 -0.268 19750 1335 1 4 . 1 1 37 37 GLY N N 37 108.880 108.880 107.170 1.710 19750 1336 1 4 . 1 1 37 37 GLY C C 37 174.400 174.400 174.732 -0.332 19750 1337 1 4 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.479 0.491 19750 1338 1 4 . 1 1 37 37 GLY H H 37 8.190 8.190 7.418 0.772 19750 1339 1 4 . 1 1 38 38 ARG N N 38 120.630 120.630 121.582 -0.952 19750 1340 1 4 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.568 -0.253 19750 1341 1 4 . 1 1 38 38 ARG C C 38 176.900 176.900 175.992 0.908 19750 1342 1 4 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.745 0.305 19750 1343 1 4 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.219 -0.469 19750 1344 1 4 . 1 1 38 38 ARG H H 38 8.118 8.118 8.537 -0.419 19750 1345 1 4 . 1 1 39 39 GLY N N 39 109.360 109.360 108.684 0.676 19750 1346 1 4 . 1 1 39 39 GLY C C 39 174.690 174.690 173.891 0.799 19750 1347 1 4 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.765 0.355 19750 1348 1 4 . 1 1 39 39 GLY H H 39 8.374 8.374 8.155 0.219 19750 1349 1 4 . 1 1 40 40 GLY N N 40 109.060 109.060 108.044 1.016 19750 1350 1 4 . 1 1 40 40 GLY C C 40 174.680 174.680 174.041 0.639 19750 1351 1 4 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.717 0.363 19750 1352 1 4 . 1 1 40 40 GLY H H 40 7.995 7.995 8.446 -0.451 19750 1353 1 4 . 1 1 41 41 TRP N N 41 121.260 121.260 126.943 -5.683 19750 1354 1 4 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.818 -0.419 19750 1355 1 4 . 1 1 41 41 TRP C C 41 177.300 177.300 176.620 0.680 19750 1356 1 4 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.080 1.500 19750 1357 1 4 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.642 -1.952 19750 1358 1 4 . 1 1 41 41 TRP H H 41 8.176 8.176 8.851 -0.675 19750 1359 1 4 . 1 1 42 42 MET N N 42 118.570 118.570 120.104 -1.534 19750 1360 1 4 . 1 1 42 42 MET HA H 42 4.185 4.185 4.246 -0.061 19750 1361 1 4 . 1 1 42 42 MET C C 42 177.930 177.930 178.409 -0.479 19750 1362 1 4 . 1 1 42 42 MET CA C 42 57.460 57.460 58.868 -1.408 19750 1363 1 4 . 1 1 42 42 MET CB C 42 30.920 30.920 32.254 -1.333 19750 1364 1 4 . 1 1 42 42 MET H H 42 8.120 8.120 8.308 -0.188 19750 1365 1 4 . 1 1 43 43 GLU N N 43 119.600 119.600 118.795 0.805 19750 1366 1 4 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.954 0.245 19750 1367 1 4 . 1 1 43 43 GLU C C 43 177.980 177.980 178.721 -0.741 19750 1368 1 4 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.015 -2.495 19750 1369 1 4 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.899 -1.339 19750 1370 1 4 . 1 1 43 43 GLU H H 43 7.834 7.834 8.741 -0.907 19750 1371 1 4 . 1 1 44 44 TRP N N 44 120.890 120.890 117.091 3.799 19750 1372 1 4 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.414 0.078 19750 1373 1 4 . 1 1 44 44 TRP C C 44 177.480 177.480 177.580 -0.100 19750 1374 1 4 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.914 0.046 19750 1375 1 4 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.479 -0.059 19750 1376 1 4 . 1 1 44 44 TRP H H 44 7.824 7.824 8.517 -0.693 19750 1377 1 4 . 1 1 45 45 ASP N N 45 118.210 118.210 117.956 0.254 19750 1378 1 4 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.626 -0.274 19750 1379 1 4 . 1 1 45 45 ASP C C 45 177.070 177.070 176.945 0.125 19750 1380 1 4 . 1 1 45 45 ASP CA C 45 55.950 55.950 55.966 -0.016 19750 1381 1 4 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.501 -2.241 19750 1382 1 4 . 1 1 45 45 ASP H H 45 8.325 8.325 7.957 0.368 19750 1383 1 4 . 1 1 46 46 ARG N N 46 119.510 119.510 119.844 -0.334 19750 1384 1 4 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.361 -0.260 19750 1385 1 4 . 1 1 46 46 ARG C C 46 178.410 178.410 177.982 0.428 19750 1386 1 4 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.163 0.277 19750 1387 1 4 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.323 -2.133 19750 1388 1 4 . 1 1 46 46 ARG H H 46 7.860 7.860 8.092 -0.232 19750 1389 1 4 . 1 1 47 47 GLU N N 47 118.470 118.470 120.929 -2.459 19750 1390 1 4 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.160 0.127 19750 1391 1 4 . 1 1 47 47 GLU C C 47 178.170 178.170 178.632 -0.462 19750 1392 1 4 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.134 -1.324 19750 1393 1 4 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.483 -1.763 19750 1394 1 4 . 1 1 47 47 GLU H H 47 7.874 7.874 7.623 0.251 19750 1395 1 4 . 1 1 48 48 ILE N N 48 118.800 118.800 115.170 3.630 19750 1396 1 4 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.794 0.135 19750 1397 1 4 . 1 1 48 48 ILE C C 48 178.060 178.060 177.318 0.742 19750 1398 1 4 . 1 1 48 48 ILE CA C 48 64.030 64.030 64.044 -0.014 19750 1399 1 4 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.425 -0.435 19750 1400 1 4 . 1 1 48 48 ILE H H 48 8.199 8.199 7.601 0.598 19750 1401 1 4 . 1 1 49 49 ASN N N 49 119.580 119.580 119.038 0.542 19750 1402 1 4 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.703 -0.104 19750 1403 1 4 . 1 1 49 49 ASN C C 49 177.110 177.110 177.745 -0.635 19750 1404 1 4 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.176 0.524 19750 1405 1 4 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.205 -0.125 19750 1406 1 4 . 1 1 49 49 ASN H H 49 8.085 8.085 8.046 0.039 19750 1407 1 4 . 1 1 50 50 ASN N N 50 118.690 118.690 120.977 -2.287 19750 1408 1 4 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.454 0.080 19750 1409 1 4 . 1 1 50 50 ASN C C 50 177.120 177.120 176.974 0.146 19750 1410 1 4 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.463 -1.403 19750 1411 1 4 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.529 -0.848 19750 1412 1 4 . 1 1 50 50 ASN H H 50 8.020 8.020 8.142 -0.122 19750 1413 1 4 . 1 1 51 51 TYR N N 51 118.430 118.430 117.923 0.507 19750 1414 1 4 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.496 0.038 19750 1415 1 4 . 1 1 51 51 TYR C C 51 177.480 177.480 176.184 1.296 19750 1416 1 4 . 1 1 51 51 TYR CA C 51 60.430 60.430 59.909 0.521 19750 1417 1 4 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.782 -1.072 19750 1418 1 4 . 1 1 51 51 TYR H H 51 8.106 8.106 7.729 0.377 19750 1419 1 4 . 1 1 52 52 THR N N 52 114.470 114.470 115.331 -0.861 19750 1420 1 4 . 1 1 52 52 THR HA H 52 3.943 3.943 4.263 -0.320 19750 1421 1 4 . 1 1 52 52 THR C C 52 176.970 176.970 176.054 0.916 19750 1422 1 4 . 1 1 52 52 THR CA C 52 66.220 66.220 65.413 0.807 19750 1423 1 4 . 1 1 52 52 THR CB C 52 67.580 67.580 69.079 -1.499 19750 1424 1 4 . 1 1 52 52 THR H H 52 8.247 8.247 8.014 0.233 19750 1425 1 4 . 1 1 53 53 SER N N 53 118.260 118.260 118.385 -0.125 19750 1426 1 4 . 1 1 53 53 SER HA H 53 4.338 4.338 4.475 -0.137 19750 1427 1 4 . 1 1 53 53 SER C C 53 176.990 176.990 175.844 1.146 19750 1428 1 4 . 1 1 53 53 SER CA C 53 61.300 61.300 60.924 0.376 19750 1429 1 4 . 1 1 53 53 SER CB C 53 62.020 62.020 63.071 -1.051 19750 1430 1 4 . 1 1 53 53 SER H H 53 8.064 8.064 7.762 0.302 19750 1431 1 4 . 1 1 54 54 LEU N N 54 123.950 123.950 122.644 1.306 19750 1432 1 4 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.078 0.172 19750 1433 1 4 . 1 1 54 54 LEU C C 54 179.060 179.060 177.380 1.680 19750 1434 1 4 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.754 -0.064 19750 1435 1 4 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.123 -1.133 19750 1436 1 4 . 1 1 54 54 LEU H H 54 7.631 7.631 7.361 0.270 19750 1437 1 4 . 1 1 55 55 ILE N N 55 118.770 118.770 116.048 2.722 19750 1438 1 4 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.898 -0.179 19750 1439 1 4 . 1 1 55 55 ILE C C 55 177.570 177.570 176.855 0.715 19750 1440 1 4 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.075 2.445 19750 1441 1 4 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.898 -1.438 19750 1442 1 4 . 1 1 55 55 ILE H H 55 8.051 8.051 7.510 0.541 19750 1443 1 4 . 1 1 56 56 HIS N N 56 117.770 117.770 120.479 -2.709 19750 1444 1 4 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.457 -0.202 19750 1445 1 4 . 1 1 56 56 HIS C C 56 176.790 176.790 177.215 -0.425 19750 1446 1 4 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.973 0.117 19750 1447 1 4 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.712 -2.112 19750 1448 1 4 . 1 1 56 56 HIS H H 56 8.339 8.339 7.772 0.567 19750 1449 1 4 . 1 1 57 57 SER N N 57 115.350 115.350 114.935 0.415 19750 1450 1 4 . 1 1 57 57 SER HA H 57 4.245 4.245 4.291 -0.046 19750 1451 1 4 . 1 1 57 57 SER C C 57 175.990 175.990 175.934 0.056 19750 1452 1 4 . 1 1 57 57 SER CA C 57 61.580 61.580 60.996 0.584 19750 1453 1 4 . 1 1 57 57 SER CB C 57 62.280 62.280 62.973 -0.693 19750 1454 1 4 . 1 1 57 57 SER H H 57 8.137 8.137 7.830 0.307 19750 1455 1 4 . 1 1 58 58 LEU N N 58 122.540 122.540 123.227 -0.687 19750 1456 1 4 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.140 0.022 19750 1457 1 4 . 1 1 58 58 LEU C C 58 178.930 178.930 177.749 1.181 19750 1458 1 4 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.218 0.072 19750 1459 1 4 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.171 -0.981 19750 1460 1 4 . 1 1 58 58 LEU H H 58 7.914 7.914 7.486 0.428 19750 1461 1 4 . 1 1 59 59 ILE N N 59 118.010 118.010 118.627 -0.617 19750 1462 1 4 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.591 0.198 19750 1463 1 4 . 1 1 59 59 ILE C C 59 178.120 178.120 177.610 0.510 19750 1464 1 4 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.869 -2.039 19750 1465 1 4 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.902 -0.752 19750 1466 1 4 . 1 1 59 59 ILE H H 59 7.921 7.921 7.564 0.357 19750 1467 1 4 . 1 1 60 60 GLU N N 60 119.640 119.640 118.925 0.715 19750 1468 1 4 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.811 0.323 19750 1469 1 4 . 1 1 60 60 GLU C C 60 177.950 177.950 177.717 0.233 19750 1470 1 4 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.214 -1.654 19750 1471 1 4 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.393 -1.683 19750 1472 1 4 . 1 1 60 60 GLU H H 60 7.925 7.925 7.699 0.226 19750 1473 1 4 . 1 1 61 61 GLU N N 61 118.990 118.990 116.521 2.469 19750 1474 1 4 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.240 0.005 19750 1475 1 4 . 1 1 61 61 GLU C C 61 177.450 177.450 177.726 -0.276 19750 1476 1 4 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.061 -0.961 19750 1477 1 4 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.732 -2.112 19750 1478 1 4 . 1 1 61 61 GLU H H 61 8.048 8.048 7.611 0.437 19750 1479 1 4 . 1 1 62 62 SER N N 62 115.260 115.260 114.815 0.445 19750 1480 1 4 . 1 1 62 62 SER HA H 62 4.324 4.324 4.397 -0.073 19750 1481 1 4 . 1 1 62 62 SER C C 62 174.940 174.940 174.774 0.166 19750 1482 1 4 . 1 1 62 62 SER CA C 62 59.620 59.620 60.444 -0.824 19750 1483 1 4 . 1 1 62 62 SER CB C 62 63.130 63.130 63.739 -0.609 19750 1484 1 4 . 1 1 62 62 SER H H 62 7.893 7.893 7.424 0.469 19750 1485 1 4 . 1 1 63 63 GLN N N 63 120.400 120.400 120.772 -0.372 19750 1486 1 4 . 1 1 63 63 GLN C C 63 176.070 176.070 175.075 0.995 19750 1487 1 4 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.443 0.347 19750 1488 1 4 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.072 0.628 19750 1489 1 4 . 1 1 63 63 GLN H H 63 7.824 7.824 8.148 -0.324 19750 1490 1 4 . 1 1 64 64 ASN N N 64 119.180 119.180 123.302 -4.122 19750 1491 1 4 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.821 -0.126 19750 1492 1 4 . 1 1 64 64 ASN C C 64 175.300 175.300 174.968 0.332 19750 1493 1 4 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.766 0.514 19750 1494 1 4 . 1 1 64 64 ASN CB C 64 38.340 38.340 40.000 -1.660 19750 1495 1 4 . 1 1 64 64 ASN H H 64 8.059 8.059 8.253 -0.194 19750 1496 1 4 . 1 1 65 65 GLN N N 65 120.740 120.740 122.255 -1.515 19750 1497 1 4 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.638 -0.318 19750 1498 1 4 . 1 1 65 65 GLN C C 65 175.890 175.890 174.798 1.092 19750 1499 1 4 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.367 0.333 19750 1500 1 4 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.432 -1.902 19750 1501 1 4 . 1 1 65 65 GLN H H 65 8.144 8.144 8.545 -0.401 19750 1502 1 4 . 1 1 66 66 GLN N N 66 121.070 121.070 122.079 -1.009 19750 1503 1 4 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.381 -0.061 19750 1504 1 4 . 1 1 66 66 GLN C C 66 175.840 175.840 175.248 0.592 19750 1505 1 4 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.173 -0.563 19750 1506 1 4 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.316 -1.646 19750 1507 1 4 . 1 1 66 66 GLN H H 66 8.199 8.199 8.712 -0.513 19750 1508 1 4 . 1 1 67 67 GLU N N 67 122.320 122.320 121.376 0.944 19750 1509 1 4 . 1 1 67 67 GLU C C 67 175.200 175.200 175.394 -0.194 19750 1510 1 4 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.467 -0.817 19750 1511 1 4 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.191 -1.781 19750 1512 1 4 . 1 1 67 67 GLU H H 67 8.194 8.194 8.491 -0.297 19750 1513 1 5 . 1 1 2 2 GLY N N 2 110.890 110.890 111.718 -0.828 19750 1514 1 5 . 1 1 2 2 GLY C C 2 174.890 174.890 174.126 0.764 19750 1515 1 5 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.385 0.165 19750 1516 1 5 . 1 1 2 2 GLY H H 2 8.294 8.294 7.946 0.348 19750 1517 1 5 . 1 1 3 3 ILE N N 3 120.800 120.800 122.698 -1.898 19750 1518 1 5 . 1 1 3 3 ILE HA H 3 4.032 4.032 4.036 -0.004 19750 1519 1 5 . 1 1 3 3 ILE C C 3 176.740 176.740 176.872 -0.132 19750 1520 1 5 . 1 1 3 3 ILE CA C 3 62.240 62.240 61.699 0.541 19750 1521 1 5 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.628 -1.168 19750 1522 1 5 . 1 1 3 3 ILE H H 3 7.861 7.861 8.332 -0.471 19750 1523 1 5 . 1 1 4 4 VAL N N 4 121.090 121.090 120.374 0.716 19750 1524 1 5 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.871 0.012 19750 1525 1 5 . 1 1 4 4 VAL C C 4 176.990 176.990 177.484 -0.494 19750 1526 1 5 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.046 -1.426 19750 1527 1 5 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.756 -0.586 19750 1528 1 5 . 1 1 4 4 VAL H H 4 7.857 7.857 7.792 0.065 19750 1529 1 5 . 1 1 5 5 GLN N N 5 121.380 121.380 119.954 1.426 19750 1530 1 5 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.898 0.337 19750 1531 1 5 . 1 1 5 5 GLN C C 5 176.960 176.960 177.894 -0.934 19750 1532 1 5 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.630 -2.880 19750 1533 1 5 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.092 0.158 19750 1534 1 5 . 1 1 5 5 GLN H H 5 8.051 8.051 8.674 -0.623 19750 1535 1 5 . 1 1 6 6 GLN N N 6 119.480 119.480 117.948 1.532 19750 1536 1 5 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.955 0.413 19750 1537 1 5 . 1 1 6 6 GLN C C 6 176.720 176.720 178.650 -1.930 19750 1538 1 5 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.889 -2.769 19750 1539 1 5 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.303 -0.083 19750 1540 1 5 . 1 1 6 6 GLN H H 6 8.018 8.018 8.282 -0.264 19750 1541 1 5 . 1 1 7 7 GLN N N 7 120.360 120.360 118.746 1.614 19750 1542 1 5 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.024 0.165 19750 1543 1 5 . 1 1 7 7 GLN C C 7 176.180 176.180 178.753 -2.573 19750 1544 1 5 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.700 -1.850 19750 1545 1 5 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.325 -0.245 19750 1546 1 5 . 1 1 7 7 GLN H H 7 8.151 8.151 7.888 0.263 19750 1547 1 5 . 1 1 8 8 ASN N N 8 119.230 119.230 118.539 0.691 19750 1548 1 5 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.599 -0.147 19750 1549 1 5 . 1 1 8 8 ASN C C 8 176.300 176.300 177.712 -1.412 19750 1550 1 5 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.343 -0.543 19750 1551 1 5 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.228 -0.028 19750 1552 1 5 . 1 1 8 8 ASN H H 8 8.256 8.256 8.650 -0.394 19750 1553 1 5 . 1 1 9 9 ASN N N 9 119.840 119.840 120.274 -0.434 19750 1554 1 5 . 1 1 9 9 ASN C C 9 177.150 177.150 177.630 -0.480 19750 1555 1 5 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.490 -0.550 19750 1556 1 5 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.403 -0.723 19750 1557 1 5 . 1 1 9 9 ASN H H 9 8.319 8.319 8.629 -0.310 19750 1558 1 5 . 1 1 10 10 LEU N N 10 122.900 122.900 121.887 1.013 19750 1559 1 5 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.053 0.081 19750 1560 1 5 . 1 1 10 10 LEU C C 10 178.050 178.050 178.167 -0.117 19750 1561 1 5 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.177 -0.487 19750 1562 1 5 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.013 -1.253 19750 1563 1 5 . 1 1 10 10 LEU H H 10 8.194 8.194 8.383 -0.189 19750 1564 1 5 . 1 1 11 11 LEU N N 11 118.800 118.800 118.058 0.742 19750 1565 1 5 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.020 -0.012 19750 1566 1 5 . 1 1 11 11 LEU C C 11 178.830 178.830 178.872 -0.042 19750 1567 1 5 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.265 0.405 19750 1568 1 5 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.993 -1.764 19750 1569 1 5 . 1 1 11 11 LEU H H 11 8.030 8.030 7.440 0.590 19750 1570 1 5 . 1 1 12 12 ARG N N 12 117.710 117.710 118.052 -0.342 19750 1571 1 5 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.106 -0.093 19750 1572 1 5 . 1 1 12 12 ARG C C 12 178.840 178.840 178.433 0.407 19750 1573 1 5 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.767 -0.148 19750 1574 1 5 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.203 -1.153 19750 1575 1 5 . 1 1 12 12 ARG H H 12 7.845 7.845 7.670 0.175 19750 1576 1 5 . 1 1 13 13 ALA N N 13 121.870 121.870 122.666 -0.796 19750 1577 1 5 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.110 0.084 19750 1578 1 5 . 1 1 13 13 ALA C C 13 180.040 180.040 179.045 0.995 19750 1579 1 5 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.758 -0.278 19750 1580 1 5 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.270 -0.770 19750 1581 1 5 . 1 1 13 13 ALA H H 13 7.681 7.681 8.472 -0.791 19750 1582 1 5 . 1 1 14 14 ILE N N 14 118.010 118.010 118.105 -0.095 19750 1583 1 5 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.707 0.026 19750 1584 1 5 . 1 1 14 14 ILE C C 14 177.760 177.760 178.164 -0.404 19750 1585 1 5 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.026 -0.686 19750 1586 1 5 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.301 -1.101 19750 1587 1 5 . 1 1 14 14 ILE H H 14 7.975 7.975 7.556 0.419 19750 1588 1 5 . 1 1 15 15 GLU N N 15 117.430 117.430 118.260 -0.830 19750 1589 1 5 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.409 -0.457 19750 1590 1 5 . 1 1 15 15 GLU C C 15 177.030 177.030 178.629 -1.599 19750 1591 1 5 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.938 -1.018 19750 1592 1 5 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.896 -2.476 19750 1593 1 5 . 1 1 15 15 GLU H H 15 8.110 8.110 8.205 -0.095 19750 1594 1 5 . 1 1 16 16 ALA N N 16 119.580 119.580 121.076 -1.496 19750 1595 1 5 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.260 0.083 19750 1596 1 5 . 1 1 16 16 ALA C C 16 178.570 178.570 176.875 1.695 19750 1597 1 5 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.940 -0.289 19750 1598 1 5 . 1 1 16 16 ALA CB C 16 18.080 18.080 16.962 1.118 19750 1599 1 5 . 1 1 16 16 ALA H H 16 7.457 7.457 8.056 -0.599 19750 1600 1 5 . 1 1 17 17 GLN N N 17 118.840 118.840 113.792 5.048 19750 1601 1 5 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.448 -0.017 19750 1602 1 5 . 1 1 17 17 GLN C C 17 176.160 176.160 176.267 -0.107 19750 1603 1 5 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.604 -0.974 19750 1604 1 5 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.261 -2.881 19750 1605 1 5 . 1 1 17 17 GLN H H 17 7.642 7.642 8.194 -0.552 19750 1606 1 5 . 1 1 18 18 GLN N N 18 120.730 120.730 121.026 -0.296 19750 1607 1 5 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.954 0.063 19750 1608 1 5 . 1 1 18 18 GLN C C 18 177.480 177.480 177.479 0.001 19750 1609 1 5 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.534 -1.244 19750 1610 1 5 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.789 -0.669 19750 1611 1 5 . 1 1 18 18 GLN H H 18 7.975 7.975 7.720 0.255 19750 1612 1 5 . 1 1 19 19 HIS N N 19 117.470 117.470 117.686 -0.216 19750 1613 1 5 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.386 0.288 19750 1614 1 5 . 1 1 19 19 HIS C C 19 176.330 176.330 177.266 -0.936 19750 1615 1 5 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.338 -2.378 19750 1616 1 5 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.238 -1.818 19750 1617 1 5 . 1 1 19 19 HIS H H 19 8.697 8.697 8.611 0.086 19750 1618 1 5 . 1 1 20 20 LEU N N 20 120.410 120.410 121.087 -0.677 19750 1619 1 5 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.137 -0.087 19750 1620 1 5 . 1 1 20 20 LEU C C 20 179.680 179.680 178.384 1.296 19750 1621 1 5 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.468 0.273 19750 1622 1 5 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.747 -0.917 19750 1623 1 5 . 1 1 20 20 LEU H H 20 8.026 8.026 7.993 0.033 19750 1624 1 5 . 1 1 21 21 LEU N N 21 121.930 121.930 119.339 2.591 19750 1625 1 5 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.967 0.092 19750 1626 1 5 . 1 1 21 21 LEU C C 21 178.540 178.540 179.345 -0.805 19750 1627 1 5 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.581 -0.451 19750 1628 1 5 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.778 -0.648 19750 1629 1 5 . 1 1 21 21 LEU H H 21 8.433 8.433 7.629 0.804 19750 1630 1 5 . 1 1 22 22 GLN N N 22 118.540 118.540 117.918 0.622 19750 1631 1 5 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.167 -0.154 19750 1632 1 5 . 1 1 22 22 GLN C C 22 179.430 179.430 178.665 0.765 19750 1633 1 5 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.592 0.308 19750 1634 1 5 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.448 -0.978 19750 1635 1 5 . 1 1 22 22 GLN H H 22 8.087 8.087 7.590 0.497 19750 1636 1 5 . 1 1 23 23 LEU N N 23 120.750 120.750 120.960 -0.210 19750 1637 1 5 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.044 0.187 19750 1638 1 5 . 1 1 23 23 LEU C C 23 178.420 178.420 178.890 -0.470 19750 1639 1 5 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.031 -0.401 19750 1640 1 5 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.151 -0.861 19750 1641 1 5 . 1 1 23 23 LEU H H 23 8.013 8.013 8.513 -0.500 19750 1642 1 5 . 1 1 24 24 THR N N 24 116.790 116.790 115.674 1.116 19750 1643 1 5 . 1 1 24 24 THR C C 24 176.180 176.180 176.589 -0.409 19750 1644 1 5 . 1 1 24 24 THR H H 24 8.024 8.024 8.353 -0.329 19750 1645 1 5 . 1 1 25 25 VAL N N 25 121.130 121.130 121.538 -0.408 19750 1646 1 5 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.926 -0.351 19750 1647 1 5 . 1 1 25 25 VAL C C 25 177.600 177.600 177.682 -0.082 19750 1648 1 5 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.273 0.547 19750 1649 1 5 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.629 -0.799 19750 1650 1 5 . 1 1 25 25 VAL H H 25 8.068 8.068 7.407 0.661 19750 1651 1 5 . 1 1 26 26 TRP N N 26 120.520 120.520 120.410 0.110 19750 1652 1 5 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.755 -0.575 19750 1653 1 5 . 1 1 26 26 TRP C C 26 178.700 178.700 178.536 0.164 19750 1654 1 5 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.465 0.965 19750 1655 1 5 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.030 -1.290 19750 1656 1 5 . 1 1 26 26 TRP H H 26 7.983 7.983 8.989 -1.006 19750 1657 1 5 . 1 1 27 27 GLY N N 27 107.880 107.880 108.280 -0.400 19750 1658 1 5 . 1 1 27 27 GLY C C 27 174.990 174.990 175.827 -0.837 19750 1659 1 5 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.014 0.226 19750 1660 1 5 . 1 1 27 27 GLY H H 27 8.846 8.846 8.490 0.356 19750 1661 1 5 . 1 1 28 28 ILE N N 28 122.330 122.330 117.541 4.789 19750 1662 1 5 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.951 -0.339 19750 1663 1 5 . 1 1 28 28 ILE C C 28 178.030 178.030 177.251 0.779 19750 1664 1 5 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.976 0.884 19750 1665 1 5 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.535 -1.025 19750 1666 1 5 . 1 1 28 28 ILE H H 28 8.427 8.427 7.566 0.861 19750 1667 1 5 . 1 1 29 29 LYS N N 29 119.850 119.850 121.362 -1.512 19750 1668 1 5 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.975 0.047 19750 1669 1 5 . 1 1 29 29 LYS C C 29 180.050 180.050 178.694 1.356 19750 1670 1 5 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.208 0.062 19750 1671 1 5 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.992 -1.312 19750 1672 1 5 . 1 1 29 29 LYS H H 29 7.993 7.993 7.459 0.534 19750 1673 1 5 . 1 1 30 30 GLN N N 30 118.870 118.870 118.332 0.538 19750 1674 1 5 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.049 -0.209 19750 1675 1 5 . 1 1 30 30 GLN C C 30 178.750 178.750 178.527 0.223 19750 1676 1 5 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.489 -1.329 19750 1677 1 5 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.409 -1.549 19750 1678 1 5 . 1 1 30 30 GLN H H 30 7.800 7.800 7.800 0.000 19750 1679 1 5 . 1 1 31 31 LEU N N 31 120.220 120.220 120.003 0.217 19750 1680 1 5 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.225 -0.259 19750 1681 1 5 . 1 1 31 31 LEU C C 31 179.300 179.300 178.933 0.367 19750 1682 1 5 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.810 -0.600 19750 1683 1 5 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.849 -1.190 19750 1684 1 5 . 1 1 31 31 LEU H H 31 7.873 7.873 7.535 0.338 19750 1685 1 5 . 1 1 32 32 GLN N N 32 118.830 118.830 119.900 -1.070 19750 1686 1 5 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.915 0.028 19750 1687 1 5 . 1 1 32 32 GLN C C 32 177.910 177.910 178.345 -0.435 19750 1688 1 5 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.790 -0.570 19750 1689 1 5 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.531 -0.511 19750 1690 1 5 . 1 1 32 32 GLN H H 32 8.216 8.216 7.985 0.231 19750 1691 1 5 . 1 1 33 33 ALA N N 33 121.340 121.340 119.224 2.116 19750 1692 1 5 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.169 0.016 19750 1693 1 5 . 1 1 33 33 ALA C C 33 179.050 179.050 177.662 1.388 19750 1694 1 5 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.100 0.360 19750 1695 1 5 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.393 -0.673 19750 1696 1 5 . 1 1 33 33 ALA H H 33 7.647 7.647 7.747 -0.100 19750 1697 1 5 . 1 1 34 34 ARG N N 34 117.580 117.580 118.926 -1.346 19750 1698 1 5 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.143 0.163 19750 1699 1 5 . 1 1 34 34 ARG C C 34 176.800 176.800 176.961 -0.161 19750 1700 1 5 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.200 -0.970 19750 1701 1 5 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.562 -0.912 19750 1702 1 5 . 1 1 34 34 ARG H H 34 7.612 7.612 7.965 -0.353 19750 1703 1 5 . 1 1 35 35 SER N N 35 114.960 114.960 114.329 0.631 19750 1704 1 5 . 1 1 35 35 SER HA H 35 4.343 4.343 4.480 -0.137 19750 1705 1 5 . 1 1 35 35 SER C C 35 175.290 175.290 175.474 -0.184 19750 1706 1 5 . 1 1 35 35 SER CA C 35 58.930 58.930 57.913 1.017 19750 1707 1 5 . 1 1 35 35 SER CB C 35 63.370 63.370 64.189 -0.819 19750 1708 1 5 . 1 1 35 35 SER H H 35 7.827 7.827 7.603 0.224 19750 1709 1 5 . 1 1 36 36 GLY N N 36 110.340 110.340 109.537 0.803 19750 1710 1 5 . 1 1 36 36 GLY C C 36 174.840 174.840 173.921 0.919 19750 1711 1 5 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.451 0.889 19750 1712 1 5 . 1 1 36 36 GLY H H 36 8.132 8.132 8.504 -0.372 19750 1713 1 5 . 1 1 37 37 GLY N N 37 108.880 108.880 107.151 1.729 19750 1714 1 5 . 1 1 37 37 GLY C C 37 174.400 174.400 174.706 -0.306 19750 1715 1 5 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.470 0.500 19750 1716 1 5 . 1 1 37 37 GLY H H 37 8.190 8.190 7.440 0.750 19750 1717 1 5 . 1 1 38 38 ARG N N 38 120.630 120.630 121.563 -0.933 19750 1718 1 5 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.570 -0.255 19750 1719 1 5 . 1 1 38 38 ARG C C 38 176.900 176.900 175.991 0.909 19750 1720 1 5 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.748 0.302 19750 1721 1 5 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.224 -0.474 19750 1722 1 5 . 1 1 38 38 ARG H H 38 8.118 8.118 8.543 -0.425 19750 1723 1 5 . 1 1 39 39 GLY N N 39 109.360 109.360 108.735 0.625 19750 1724 1 5 . 1 1 39 39 GLY C C 39 174.690 174.690 173.870 0.820 19750 1725 1 5 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.774 0.346 19750 1726 1 5 . 1 1 39 39 GLY H H 39 8.374 8.374 8.173 0.201 19750 1727 1 5 . 1 1 40 40 GLY N N 40 109.060 109.060 107.950 1.110 19750 1728 1 5 . 1 1 40 40 GLY C C 40 174.680 174.680 174.032 0.648 19750 1729 1 5 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.746 0.334 19750 1730 1 5 . 1 1 40 40 GLY H H 40 7.995 7.995 8.439 -0.444 19750 1731 1 5 . 1 1 41 41 TRP N N 41 121.260 121.260 127.367 -6.107 19750 1732 1 5 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.723 -0.324 19750 1733 1 5 . 1 1 41 41 TRP C C 41 177.300 177.300 176.392 0.908 19750 1734 1 5 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.449 1.131 19750 1735 1 5 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.732 -2.042 19750 1736 1 5 . 1 1 41 41 TRP H H 41 8.176 8.176 8.964 -0.788 19750 1737 1 5 . 1 1 42 42 MET N N 42 118.570 118.570 120.141 -1.571 19750 1738 1 5 . 1 1 42 42 MET HA H 42 4.185 4.185 4.263 -0.078 19750 1739 1 5 . 1 1 42 42 MET C C 42 177.930 177.930 178.419 -0.489 19750 1740 1 5 . 1 1 42 42 MET CA C 42 57.460 57.460 58.873 -1.413 19750 1741 1 5 . 1 1 42 42 MET CB C 42 30.920 30.920 32.255 -1.335 19750 1742 1 5 . 1 1 42 42 MET H H 42 8.120 8.120 8.311 -0.191 19750 1743 1 5 . 1 1 43 43 GLU N N 43 119.600 119.600 118.755 0.845 19750 1744 1 5 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.947 0.252 19750 1745 1 5 . 1 1 43 43 GLU C C 43 177.980 177.980 178.705 -0.725 19750 1746 1 5 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.025 -2.505 19750 1747 1 5 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.889 -1.329 19750 1748 1 5 . 1 1 43 43 GLU H H 43 7.834 7.834 8.750 -0.916 19750 1749 1 5 . 1 1 44 44 TRP N N 44 120.890 120.890 117.124 3.766 19750 1750 1 5 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.404 0.088 19750 1751 1 5 . 1 1 44 44 TRP C C 44 177.480 177.480 177.607 -0.127 19750 1752 1 5 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.913 0.046 19750 1753 1 5 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.471 -0.051 19750 1754 1 5 . 1 1 44 44 TRP H H 44 7.824 7.824 8.502 -0.678 19750 1755 1 5 . 1 1 45 45 ASP N N 45 118.210 118.210 117.916 0.294 19750 1756 1 5 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.633 -0.281 19750 1757 1 5 . 1 1 45 45 ASP C C 45 177.070 177.070 176.966 0.104 19750 1758 1 5 . 1 1 45 45 ASP CA C 45 55.950 55.950 55.973 -0.023 19750 1759 1 5 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.501 -2.241 19750 1760 1 5 . 1 1 45 45 ASP H H 45 8.325 8.325 7.989 0.336 19750 1761 1 5 . 1 1 46 46 ARG N N 46 119.510 119.510 119.840 -0.330 19750 1762 1 5 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.362 -0.261 19750 1763 1 5 . 1 1 46 46 ARG C C 46 178.410 178.410 177.982 0.428 19750 1764 1 5 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.164 0.276 19750 1765 1 5 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.313 -2.123 19750 1766 1 5 . 1 1 46 46 ARG H H 46 7.860 7.860 8.133 -0.273 19750 1767 1 5 . 1 1 47 47 GLU N N 47 118.470 118.470 120.933 -2.463 19750 1768 1 5 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.164 0.123 19750 1769 1 5 . 1 1 47 47 GLU C C 47 178.170 178.170 178.637 -0.467 19750 1770 1 5 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.138 -1.328 19750 1771 1 5 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.487 -1.767 19750 1772 1 5 . 1 1 47 47 GLU H H 47 7.874 7.874 7.653 0.221 19750 1773 1 5 . 1 1 48 48 ILE N N 48 118.800 118.800 115.165 3.635 19750 1774 1 5 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.799 0.130 19750 1775 1 5 . 1 1 48 48 ILE C C 48 178.060 178.060 177.322 0.738 19750 1776 1 5 . 1 1 48 48 ILE CA C 48 64.030 64.030 64.046 -0.016 19750 1777 1 5 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.429 -0.439 19750 1778 1 5 . 1 1 48 48 ILE H H 48 8.199 8.199 7.604 0.595 19750 1779 1 5 . 1 1 49 49 ASN N N 49 119.580 119.580 119.041 0.539 19750 1780 1 5 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.706 -0.107 19750 1781 1 5 . 1 1 49 49 ASN C C 49 177.110 177.110 177.746 -0.636 19750 1782 1 5 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.176 0.524 19750 1783 1 5 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.208 -0.128 19750 1784 1 5 . 1 1 49 49 ASN H H 49 8.085 8.085 8.050 0.035 19750 1785 1 5 . 1 1 50 50 ASN N N 50 118.690 118.690 120.984 -2.294 19750 1786 1 5 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.455 0.079 19750 1787 1 5 . 1 1 50 50 ASN C C 50 177.120 177.120 176.978 0.142 19750 1788 1 5 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.467 -1.407 19750 1789 1 5 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.530 -0.850 19750 1790 1 5 . 1 1 50 50 ASN H H 50 8.020 8.020 8.145 -0.125 19750 1791 1 5 . 1 1 51 51 TYR N N 51 118.430 118.430 117.923 0.507 19750 1792 1 5 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.497 0.037 19750 1793 1 5 . 1 1 51 51 TYR C C 51 177.480 177.480 176.187 1.293 19750 1794 1 5 . 1 1 51 51 TYR CA C 51 60.430 60.430 59.916 0.514 19750 1795 1 5 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.784 -1.074 19750 1796 1 5 . 1 1 51 51 TYR H H 51 8.106 8.106 7.732 0.374 19750 1797 1 5 . 1 1 52 52 THR N N 52 114.470 114.470 115.327 -0.857 19750 1798 1 5 . 1 1 52 52 THR HA H 52 3.943 3.943 4.264 -0.321 19750 1799 1 5 . 1 1 52 52 THR C C 52 176.970 176.970 176.055 0.915 19750 1800 1 5 . 1 1 52 52 THR CA C 52 66.220 66.220 65.415 0.805 19750 1801 1 5 . 1 1 52 52 THR CB C 52 67.580 67.580 69.081 -1.501 19750 1802 1 5 . 1 1 52 52 THR H H 52 8.247 8.247 8.014 0.234 19750 1803 1 5 . 1 1 53 53 SER N N 53 118.260 118.260 118.386 -0.126 19750 1804 1 5 . 1 1 53 53 SER HA H 53 4.338 4.338 4.476 -0.138 19750 1805 1 5 . 1 1 53 53 SER C C 53 176.990 176.990 175.846 1.144 19750 1806 1 5 . 1 1 53 53 SER CA C 53 61.300 61.300 60.927 0.373 19750 1807 1 5 . 1 1 53 53 SER CB C 53 62.020 62.020 63.070 -1.050 19750 1808 1 5 . 1 1 53 53 SER H H 53 8.064 8.064 7.763 0.301 19750 1809 1 5 . 1 1 54 54 LEU N N 54 123.950 123.950 122.670 1.280 19750 1810 1 5 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.078 0.172 19750 1811 1 5 . 1 1 54 54 LEU C C 54 179.060 179.060 177.399 1.661 19750 1812 1 5 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.766 -0.076 19750 1813 1 5 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.124 -1.134 19750 1814 1 5 . 1 1 54 54 LEU H H 54 7.631 7.631 7.363 0.268 19750 1815 1 5 . 1 1 55 55 ILE N N 55 118.770 118.770 116.037 2.733 19750 1816 1 5 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.893 -0.174 19750 1817 1 5 . 1 1 55 55 ILE C C 55 177.570 177.570 176.852 0.718 19750 1818 1 5 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.069 2.451 19750 1819 1 5 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.889 -1.429 19750 1820 1 5 . 1 1 55 55 ILE H H 55 8.051 8.051 7.512 0.539 19750 1821 1 5 . 1 1 56 56 HIS N N 56 117.770 117.770 120.418 -2.648 19750 1822 1 5 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.457 -0.202 19750 1823 1 5 . 1 1 56 56 HIS C C 56 176.790 176.790 177.199 -0.409 19750 1824 1 5 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.938 0.152 19750 1825 1 5 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.725 -2.125 19750 1826 1 5 . 1 1 56 56 HIS H H 56 8.339 8.339 7.764 0.575 19750 1827 1 5 . 1 1 57 57 SER N N 57 115.350 115.350 114.983 0.367 19750 1828 1 5 . 1 1 57 57 SER HA H 57 4.245 4.245 4.287 -0.042 19750 1829 1 5 . 1 1 57 57 SER C C 57 175.990 175.990 175.930 0.060 19750 1830 1 5 . 1 1 57 57 SER CA C 57 61.580 61.580 61.080 0.500 19750 1831 1 5 . 1 1 57 57 SER CB C 57 62.280 62.280 62.984 -0.704 19750 1832 1 5 . 1 1 57 57 SER H H 57 8.137 8.137 7.838 0.299 19750 1833 1 5 . 1 1 58 58 LEU N N 58 122.540 122.540 123.072 -0.532 19750 1834 1 5 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.134 0.028 19750 1835 1 5 . 1 1 58 58 LEU C C 58 178.930 178.930 177.742 1.188 19750 1836 1 5 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.159 0.131 19750 1837 1 5 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.128 -0.938 19750 1838 1 5 . 1 1 58 58 LEU H H 58 7.914 7.914 7.495 0.419 19750 1839 1 5 . 1 1 59 59 ILE N N 59 118.010 118.010 118.604 -0.594 19750 1840 1 5 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.595 0.194 19750 1841 1 5 . 1 1 59 59 ILE C C 59 178.120 178.120 177.602 0.518 19750 1842 1 5 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.804 -1.974 19750 1843 1 5 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.895 -0.745 19750 1844 1 5 . 1 1 59 59 ILE H H 59 7.921 7.921 7.501 0.420 19750 1845 1 5 . 1 1 60 60 GLU N N 60 119.640 119.640 119.048 0.592 19750 1846 1 5 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.822 0.312 19750 1847 1 5 . 1 1 60 60 GLU C C 60 177.950 177.950 177.740 0.210 19750 1848 1 5 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.204 -1.644 19750 1849 1 5 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.426 -1.716 19750 1850 1 5 . 1 1 60 60 GLU H H 60 7.925 7.925 7.681 0.244 19750 1851 1 5 . 1 1 61 61 GLU N N 61 118.990 118.990 116.480 2.510 19750 1852 1 5 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.246 -0.001 19750 1853 1 5 . 1 1 61 61 GLU C C 61 177.450 177.450 177.697 -0.247 19750 1854 1 5 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.026 -0.926 19750 1855 1 5 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.751 -2.131 19750 1856 1 5 . 1 1 61 61 GLU H H 61 8.048 8.048 7.597 0.451 19750 1857 1 5 . 1 1 62 62 SER N N 62 115.260 115.260 114.791 0.469 19750 1858 1 5 . 1 1 62 62 SER HA H 62 4.324 4.324 4.414 -0.090 19750 1859 1 5 . 1 1 62 62 SER C C 62 174.940 174.940 174.729 0.211 19750 1860 1 5 . 1 1 62 62 SER CA C 62 59.620 59.620 60.380 -0.760 19750 1861 1 5 . 1 1 62 62 SER CB C 62 63.130 63.130 63.809 -0.679 19750 1862 1 5 . 1 1 62 62 SER H H 62 7.893 7.893 7.418 0.475 19750 1863 1 5 . 1 1 63 63 GLN N N 63 120.400 120.400 120.774 -0.374 19750 1864 1 5 . 1 1 63 63 GLN C C 63 176.070 176.070 175.067 1.003 19750 1865 1 5 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.393 0.397 19750 1866 1 5 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.119 0.581 19750 1867 1 5 . 1 1 63 63 GLN H H 63 7.824 7.824 8.059 -0.235 19750 1868 1 5 . 1 1 64 64 ASN N N 64 119.180 119.180 123.311 -4.131 19750 1869 1 5 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.816 -0.121 19750 1870 1 5 . 1 1 64 64 ASN C C 64 175.300 175.300 174.977 0.323 19750 1871 1 5 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.799 0.481 19750 1872 1 5 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.951 -1.611 19750 1873 1 5 . 1 1 64 64 ASN H H 64 8.059 8.059 8.270 -0.211 19750 1874 1 5 . 1 1 65 65 GLN N N 65 120.740 120.740 122.240 -1.500 19750 1875 1 5 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.636 -0.316 19750 1876 1 5 . 1 1 65 65 GLN C C 65 175.890 175.890 174.795 1.095 19750 1877 1 5 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.368 0.332 19750 1878 1 5 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.430 -1.900 19750 1879 1 5 . 1 1 65 65 GLN H H 65 8.144 8.144 8.544 -0.400 19750 1880 1 5 . 1 1 66 66 GLN N N 66 121.070 121.070 122.179 -1.109 19750 1881 1 5 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.384 -0.064 19750 1882 1 5 . 1 1 66 66 GLN C C 66 175.840 175.840 175.255 0.585 19750 1883 1 5 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.168 -0.558 19750 1884 1 5 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.318 -1.648 19750 1885 1 5 . 1 1 66 66 GLN H H 66 8.199 8.199 8.712 -0.513 19750 1886 1 5 . 1 1 67 67 GLU N N 67 122.320 122.320 121.388 0.932 19750 1887 1 5 . 1 1 67 67 GLU C C 67 175.200 175.200 175.401 -0.201 19750 1888 1 5 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.459 -0.809 19750 1889 1 5 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.191 -1.781 19750 1890 1 5 . 1 1 67 67 GLU H H 67 8.194 8.194 8.494 -0.300 19750 1891 1 6 . 1 1 2 2 GLY N N 2 110.890 110.890 111.961 -1.071 19750 1892 1 6 . 1 1 2 2 GLY C C 2 174.890 174.890 174.173 0.717 19750 1893 1 6 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.950 0.600 19750 1894 1 6 . 1 1 2 2 GLY H H 2 8.294 8.294 7.897 0.397 19750 1895 1 6 . 1 1 3 3 ILE N N 3 120.800 120.800 121.058 -0.258 19750 1896 1 6 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.898 0.134 19750 1897 1 6 . 1 1 3 3 ILE C C 3 176.740 176.740 177.422 -0.682 19750 1898 1 6 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.577 -0.337 19750 1899 1 6 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.615 -1.155 19750 1900 1 6 . 1 1 3 3 ILE H H 3 7.861 7.861 8.270 -0.409 19750 1901 1 6 . 1 1 4 4 VAL N N 4 121.090 121.090 119.684 1.406 19750 1902 1 6 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.846 0.037 19750 1903 1 6 . 1 1 4 4 VAL C C 4 176.990 176.990 177.414 -0.424 19750 1904 1 6 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.135 -1.515 19750 1905 1 6 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.617 -0.447 19750 1906 1 6 . 1 1 4 4 VAL H H 4 7.857 7.857 7.807 0.050 19750 1907 1 6 . 1 1 5 5 GLN N N 5 121.380 121.380 120.139 1.241 19750 1908 1 6 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.891 0.344 19750 1909 1 6 . 1 1 5 5 GLN C C 5 176.960 176.960 177.916 -0.956 19750 1910 1 6 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.492 -2.742 19750 1911 1 6 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.094 0.156 19750 1912 1 6 . 1 1 5 5 GLN H H 5 8.051 8.051 8.622 -0.571 19750 1913 1 6 . 1 1 6 6 GLN N N 6 119.480 119.480 118.095 1.385 19750 1914 1 6 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.943 0.425 19750 1915 1 6 . 1 1 6 6 GLN C C 6 176.720 176.720 178.633 -1.913 19750 1916 1 6 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.947 -2.827 19750 1917 1 6 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.357 -0.137 19750 1918 1 6 . 1 1 6 6 GLN H H 6 8.018 8.018 7.781 0.237 19750 1919 1 6 . 1 1 7 7 GLN N N 7 120.360 120.360 118.983 1.377 19750 1920 1 6 . 1 1 7 7 GLN HA H 7 4.189 4.189 3.976 0.213 19750 1921 1 6 . 1 1 7 7 GLN C C 7 176.180 176.180 178.791 -2.611 19750 1922 1 6 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.766 -1.916 19750 1923 1 6 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.295 -0.215 19750 1924 1 6 . 1 1 7 7 GLN H H 7 8.151 8.151 7.930 0.221 19750 1925 1 6 . 1 1 8 8 ASN N N 8 119.230 119.230 118.331 0.899 19750 1926 1 6 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.540 -0.088 19750 1927 1 6 . 1 1 8 8 ASN C C 8 176.300 176.300 177.757 -1.457 19750 1928 1 6 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.499 -0.699 19750 1929 1 6 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.166 0.034 19750 1930 1 6 . 1 1 8 8 ASN H H 8 8.256 8.256 8.638 -0.382 19750 1931 1 6 . 1 1 9 9 ASN N N 9 119.840 119.840 120.220 -0.380 19750 1932 1 6 . 1 1 9 9 ASN C C 9 177.150 177.150 177.655 -0.505 19750 1933 1 6 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.498 -0.558 19750 1934 1 6 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.230 -0.550 19750 1935 1 6 . 1 1 9 9 ASN H H 9 8.319 8.319 8.557 -0.238 19750 1936 1 6 . 1 1 10 10 LEU N N 10 122.900 122.900 121.138 1.762 19750 1937 1 6 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.021 0.113 19750 1938 1 6 . 1 1 10 10 LEU C C 10 178.050 178.050 178.279 -0.229 19750 1939 1 6 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.154 -0.465 19750 1940 1 6 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.044 -1.284 19750 1941 1 6 . 1 1 10 10 LEU H H 10 8.194 8.194 8.498 -0.304 19750 1942 1 6 . 1 1 11 11 LEU N N 11 118.800 118.800 117.972 0.828 19750 1943 1 6 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.099 -0.091 19750 1944 1 6 . 1 1 11 11 LEU C C 11 178.830 178.830 178.590 0.240 19750 1945 1 6 . 1 1 11 11 LEU CA C 11 57.670 57.670 56.740 0.930 19750 1946 1 6 . 1 1 11 11 LEU CB C 11 40.230 40.230 42.067 -1.837 19750 1947 1 6 . 1 1 11 11 LEU H H 11 8.030 8.030 7.389 0.641 19750 1948 1 6 . 1 1 12 12 ARG N N 12 117.710 117.710 118.869 -1.159 19750 1949 1 6 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.025 -0.012 19750 1950 1 6 . 1 1 12 12 ARG C C 12 178.840 178.840 178.679 0.161 19750 1951 1 6 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.067 -0.447 19750 1952 1 6 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.193 -1.143 19750 1953 1 6 . 1 1 12 12 ARG H H 12 7.845 7.845 7.592 0.253 19750 1954 1 6 . 1 1 13 13 ALA N N 13 121.870 121.870 122.983 -1.113 19750 1955 1 6 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.101 0.093 19750 1956 1 6 . 1 1 13 13 ALA C C 13 180.040 180.040 179.241 0.799 19750 1957 1 6 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.958 -0.478 19750 1958 1 6 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.216 -0.716 19750 1959 1 6 . 1 1 13 13 ALA H H 13 7.681 7.681 8.518 -0.837 19750 1960 1 6 . 1 1 14 14 ILE N N 14 118.010 118.010 118.544 -0.534 19750 1961 1 6 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.688 0.045 19750 1962 1 6 . 1 1 14 14 ILE C C 14 177.760 177.760 178.311 -0.551 19750 1963 1 6 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.903 -0.562 19750 1964 1 6 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.088 -0.888 19750 1965 1 6 . 1 1 14 14 ILE H H 14 7.975 7.975 7.606 0.369 19750 1966 1 6 . 1 1 15 15 GLU N N 15 117.430 117.430 117.757 -0.327 19750 1967 1 6 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.383 -0.431 19750 1968 1 6 . 1 1 15 15 GLU C C 15 177.030 177.030 177.940 -0.910 19750 1969 1 6 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.949 -1.029 19750 1970 1 6 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.866 -2.446 19750 1971 1 6 . 1 1 15 15 GLU H H 15 8.110 8.110 8.110 -0.000 19750 1972 1 6 . 1 1 16 16 ALA N N 16 119.580 119.580 119.555 0.025 19750 1973 1 6 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.308 0.035 19750 1974 1 6 . 1 1 16 16 ALA C C 16 178.570 178.570 176.984 1.586 19750 1975 1 6 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.756 -0.106 19750 1976 1 6 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.122 0.958 19750 1977 1 6 . 1 1 16 16 ALA H H 16 7.457 7.457 7.777 -0.320 19750 1978 1 6 . 1 1 17 17 GLN N N 17 118.840 118.840 113.870 4.970 19750 1979 1 6 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.453 -0.022 19750 1980 1 6 . 1 1 17 17 GLN C C 17 176.160 176.160 176.328 -0.168 19750 1981 1 6 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.623 -0.993 19750 1982 1 6 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.335 -2.955 19750 1983 1 6 . 1 1 17 17 GLN H H 17 7.642 7.642 8.125 -0.483 19750 1984 1 6 . 1 1 18 18 GLN N N 18 120.730 120.730 120.843 -0.113 19750 1985 1 6 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.972 0.045 19750 1986 1 6 . 1 1 18 18 GLN C C 18 177.480 177.480 177.352 0.128 19750 1987 1 6 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.332 -1.042 19750 1988 1 6 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.757 -0.637 19750 1989 1 6 . 1 1 18 18 GLN H H 18 7.975 7.975 7.607 0.368 19750 1990 1 6 . 1 1 19 19 HIS N N 19 117.470 117.470 118.447 -0.977 19750 1991 1 6 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.402 0.272 19750 1992 1 6 . 1 1 19 19 HIS C C 19 176.330 176.330 177.500 -1.170 19750 1993 1 6 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.374 -2.414 19750 1994 1 6 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.575 -2.155 19750 1995 1 6 . 1 1 19 19 HIS H H 19 8.697 8.697 8.452 0.245 19750 1996 1 6 . 1 1 20 20 LEU N N 20 120.410 120.410 122.028 -1.618 19750 1997 1 6 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.149 -0.099 19750 1998 1 6 . 1 1 20 20 LEU C C 20 179.680 179.680 178.175 1.505 19750 1999 1 6 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.478 0.262 19750 2000 1 6 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.221 -0.391 19750 2001 1 6 . 1 1 20 20 LEU H H 20 8.026 8.026 8.306 -0.280 19750 2002 1 6 . 1 1 21 21 LEU N N 21 121.930 121.930 119.296 2.634 19750 2003 1 6 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.970 0.089 19750 2004 1 6 . 1 1 21 21 LEU C C 21 178.540 178.540 179.419 -0.879 19750 2005 1 6 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.491 -0.361 19750 2006 1 6 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.851 -0.721 19750 2007 1 6 . 1 1 21 21 LEU H H 21 8.433 8.433 7.647 0.786 19750 2008 1 6 . 1 1 22 22 GLN N N 22 118.540 118.540 117.741 0.799 19750 2009 1 6 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.205 -0.192 19750 2010 1 6 . 1 1 22 22 GLN C C 22 179.430 179.430 178.684 0.746 19750 2011 1 6 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.369 0.531 19750 2012 1 6 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.594 -1.124 19750 2013 1 6 . 1 1 22 22 GLN H H 22 8.087 8.087 7.620 0.467 19750 2014 1 6 . 1 1 23 23 LEU N N 23 120.750 120.750 121.363 -0.613 19750 2015 1 6 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.086 0.145 19750 2016 1 6 . 1 1 23 23 LEU C C 23 178.420 178.420 178.730 -0.310 19750 2017 1 6 . 1 1 23 23 LEU CA C 23 57.630 57.630 57.947 -0.317 19750 2018 1 6 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.209 -0.918 19750 2019 1 6 . 1 1 23 23 LEU H H 23 8.013 8.013 8.331 -0.318 19750 2020 1 6 . 1 1 24 24 THR N N 24 116.790 116.790 115.816 0.974 19750 2021 1 6 . 1 1 24 24 THR C C 24 176.180 176.180 176.633 -0.453 19750 2022 1 6 . 1 1 24 24 THR H H 24 8.024 8.024 8.570 -0.546 19750 2023 1 6 . 1 1 25 25 VAL N N 25 121.130 121.130 121.256 -0.126 19750 2024 1 6 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.892 -0.317 19750 2025 1 6 . 1 1 25 25 VAL C C 25 177.600 177.600 177.747 -0.147 19750 2026 1 6 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.523 0.297 19750 2027 1 6 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.616 -0.786 19750 2028 1 6 . 1 1 25 25 VAL H H 25 8.068 8.068 7.444 0.624 19750 2029 1 6 . 1 1 26 26 TRP N N 26 120.520 120.520 120.275 0.245 19750 2030 1 6 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.689 -0.509 19750 2031 1 6 . 1 1 26 26 TRP C C 26 178.700 178.700 178.700 0.000 19750 2032 1 6 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.633 0.797 19750 2033 1 6 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.817 -1.077 19750 2034 1 6 . 1 1 26 26 TRP H H 26 7.983 7.983 8.677 -0.694 19750 2035 1 6 . 1 1 27 27 GLY N N 27 107.880 107.880 108.363 -0.483 19750 2036 1 6 . 1 1 27 27 GLY C C 27 174.990 174.990 175.796 -0.806 19750 2037 1 6 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.007 0.233 19750 2038 1 6 . 1 1 27 27 GLY H H 27 8.846 8.846 8.586 0.260 19750 2039 1 6 . 1 1 28 28 ILE N N 28 122.330 122.330 117.771 4.559 19750 2040 1 6 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.948 -0.336 19750 2041 1 6 . 1 1 28 28 ILE C C 28 178.030 178.030 177.271 0.759 19750 2042 1 6 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.001 0.859 19750 2043 1 6 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.512 -1.002 19750 2044 1 6 . 1 1 28 28 ILE H H 28 8.427 8.427 7.616 0.811 19750 2045 1 6 . 1 1 29 29 LYS N N 29 119.850 119.850 121.332 -1.482 19750 2046 1 6 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.935 0.087 19750 2047 1 6 . 1 1 29 29 LYS C C 29 180.050 180.050 178.780 1.270 19750 2048 1 6 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.375 -0.105 19750 2049 1 6 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.953 -1.273 19750 2050 1 6 . 1 1 29 29 LYS H H 29 7.993 7.993 7.514 0.479 19750 2051 1 6 . 1 1 30 30 GLN N N 30 118.870 118.870 118.163 0.707 19750 2052 1 6 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.057 -0.217 19750 2053 1 6 . 1 1 30 30 GLN C C 30 178.750 178.750 178.554 0.196 19750 2054 1 6 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.387 -1.227 19750 2055 1 6 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.405 -1.545 19750 2056 1 6 . 1 1 30 30 GLN H H 30 7.800 7.800 7.730 0.070 19750 2057 1 6 . 1 1 31 31 LEU N N 31 120.220 120.220 120.361 -0.141 19750 2058 1 6 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.188 -0.222 19750 2059 1 6 . 1 1 31 31 LEU C C 31 179.300 179.300 178.927 0.373 19750 2060 1 6 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.801 -0.591 19750 2061 1 6 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.819 -1.159 19750 2062 1 6 . 1 1 31 31 LEU H H 31 7.873 7.873 7.426 0.447 19750 2063 1 6 . 1 1 32 32 GLN N N 32 118.830 118.830 119.707 -0.877 19750 2064 1 6 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.896 0.047 19750 2065 1 6 . 1 1 32 32 GLN C C 32 177.910 177.910 178.349 -0.439 19750 2066 1 6 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.955 -0.735 19750 2067 1 6 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.593 -0.573 19750 2068 1 6 . 1 1 32 32 GLN H H 32 8.216 8.216 8.170 0.046 19750 2069 1 6 . 1 1 33 33 ALA N N 33 121.340 121.340 119.239 2.101 19750 2070 1 6 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.143 0.042 19750 2071 1 6 . 1 1 33 33 ALA C C 33 179.050 179.050 177.801 1.249 19750 2072 1 6 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.310 0.150 19750 2073 1 6 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.384 -0.664 19750 2074 1 6 . 1 1 33 33 ALA H H 33 7.647 7.647 7.662 -0.015 19750 2075 1 6 . 1 1 34 34 ARG N N 34 117.580 117.580 118.834 -1.254 19750 2076 1 6 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.152 0.154 19750 2077 1 6 . 1 1 34 34 ARG C C 34 176.800 176.800 176.900 -0.100 19750 2078 1 6 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.213 -0.983 19750 2079 1 6 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.613 -0.963 19750 2080 1 6 . 1 1 34 34 ARG H H 34 7.612 7.612 8.027 -0.415 19750 2081 1 6 . 1 1 35 35 SER N N 35 114.960 114.960 113.818 1.142 19750 2082 1 6 . 1 1 35 35 SER HA H 35 4.343 4.343 4.528 -0.185 19750 2083 1 6 . 1 1 35 35 SER C C 35 175.290 175.290 175.610 -0.320 19750 2084 1 6 . 1 1 35 35 SER CA C 35 58.930 58.930 57.582 1.348 19750 2085 1 6 . 1 1 35 35 SER CB C 35 63.370 63.370 64.428 -1.058 19750 2086 1 6 . 1 1 35 35 SER H H 35 7.827 7.827 7.647 0.180 19750 2087 1 6 . 1 1 36 36 GLY N N 36 110.340 110.340 109.718 0.622 19750 2088 1 6 . 1 1 36 36 GLY C C 36 174.840 174.840 174.007 0.833 19750 2089 1 6 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.307 1.033 19750 2090 1 6 . 1 1 36 36 GLY H H 36 8.132 8.132 8.591 -0.459 19750 2091 1 6 . 1 1 37 37 GLY N N 37 108.880 108.880 107.138 1.742 19750 2092 1 6 . 1 1 37 37 GLY C C 37 174.400 174.400 174.706 -0.306 19750 2093 1 6 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.511 0.459 19750 2094 1 6 . 1 1 37 37 GLY H H 37 8.190 8.190 7.497 0.693 19750 2095 1 6 . 1 1 38 38 ARG N N 38 120.630 120.630 121.876 -1.246 19750 2096 1 6 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.513 -0.198 19750 2097 1 6 . 1 1 38 38 ARG C C 38 176.900 176.900 175.800 1.100 19750 2098 1 6 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.739 0.311 19750 2099 1 6 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.589 0.161 19750 2100 1 6 . 1 1 38 38 ARG H H 38 8.118 8.118 8.503 -0.385 19750 2101 1 6 . 1 1 39 39 GLY N N 39 109.360 109.360 109.016 0.344 19750 2102 1 6 . 1 1 39 39 GLY C C 39 174.690 174.690 173.818 0.872 19750 2103 1 6 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.784 0.336 19750 2104 1 6 . 1 1 39 39 GLY H H 39 8.374 8.374 8.260 0.114 19750 2105 1 6 . 1 1 40 40 GLY N N 40 109.060 109.060 107.736 1.324 19750 2106 1 6 . 1 1 40 40 GLY C C 40 174.680 174.680 174.026 0.654 19750 2107 1 6 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.837 0.243 19750 2108 1 6 . 1 1 40 40 GLY H H 40 7.995 7.995 8.430 -0.435 19750 2109 1 6 . 1 1 41 41 TRP N N 41 121.260 121.260 127.298 -6.038 19750 2110 1 6 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.762 -0.363 19750 2111 1 6 . 1 1 41 41 TRP C C 41 177.300 177.300 176.322 0.978 19750 2112 1 6 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.380 1.200 19750 2113 1 6 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.860 -2.170 19750 2114 1 6 . 1 1 41 41 TRP H H 41 8.176 8.176 8.957 -0.781 19750 2115 1 6 . 1 1 42 42 MET N N 42 118.570 118.570 120.443 -1.873 19750 2116 1 6 . 1 1 42 42 MET HA H 42 4.185 4.185 4.248 -0.063 19750 2117 1 6 . 1 1 42 42 MET C C 42 177.930 177.930 178.369 -0.439 19750 2118 1 6 . 1 1 42 42 MET CA C 42 57.460 57.460 58.655 -1.195 19750 2119 1 6 . 1 1 42 42 MET CB C 42 30.920 30.920 32.254 -1.334 19750 2120 1 6 . 1 1 42 42 MET H H 42 8.120 8.120 8.324 -0.204 19750 2121 1 6 . 1 1 43 43 GLU N N 43 119.600 119.600 118.783 0.817 19750 2122 1 6 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.944 0.255 19750 2123 1 6 . 1 1 43 43 GLU C C 43 177.980 177.980 178.711 -0.731 19750 2124 1 6 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.023 -2.503 19750 2125 1 6 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.864 -1.304 19750 2126 1 6 . 1 1 43 43 GLU H H 43 7.834 7.834 8.789 -0.955 19750 2127 1 6 . 1 1 44 44 TRP N N 44 120.890 120.890 117.300 3.590 19750 2128 1 6 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.387 0.105 19750 2129 1 6 . 1 1 44 44 TRP C C 44 177.480 177.480 177.725 -0.245 19750 2130 1 6 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.985 -0.025 19750 2131 1 6 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.520 -0.100 19750 2132 1 6 . 1 1 44 44 TRP H H 44 7.824 7.824 8.492 -0.668 19750 2133 1 6 . 1 1 45 45 ASP N N 45 118.210 118.210 117.765 0.445 19750 2134 1 6 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.642 -0.290 19750 2135 1 6 . 1 1 45 45 ASP C C 45 177.070 177.070 176.984 0.086 19750 2136 1 6 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.046 -0.096 19750 2137 1 6 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.580 -2.320 19750 2138 1 6 . 1 1 45 45 ASP H H 45 8.325 8.325 7.939 0.386 19750 2139 1 6 . 1 1 46 46 ARG N N 46 119.510 119.510 119.848 -0.338 19750 2140 1 6 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.369 -0.268 19750 2141 1 6 . 1 1 46 46 ARG C C 46 178.410 178.410 178.003 0.407 19750 2142 1 6 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.211 0.229 19750 2143 1 6 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.316 -2.126 19750 2144 1 6 . 1 1 46 46 ARG H H 46 7.860 7.860 8.235 -0.375 19750 2145 1 6 . 1 1 47 47 GLU N N 47 118.470 118.470 120.908 -2.438 19750 2146 1 6 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.175 0.112 19750 2147 1 6 . 1 1 47 47 GLU C C 47 178.170 178.170 178.638 -0.468 19750 2148 1 6 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.137 -1.327 19750 2149 1 6 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.498 -1.778 19750 2150 1 6 . 1 1 47 47 GLU H H 47 7.874 7.874 7.611 0.263 19750 2151 1 6 . 1 1 48 48 ILE N N 48 118.800 118.800 115.143 3.657 19750 2152 1 6 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.808 0.121 19750 2153 1 6 . 1 1 48 48 ILE C C 48 178.060 178.060 177.311 0.749 19750 2154 1 6 . 1 1 48 48 ILE CA C 48 64.030 64.030 64.000 0.030 19750 2155 1 6 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.433 -0.443 19750 2156 1 6 . 1 1 48 48 ILE H H 48 8.199 8.199 7.599 0.600 19750 2157 1 6 . 1 1 49 49 ASN N N 49 119.580 119.580 118.965 0.615 19750 2158 1 6 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.681 -0.083 19750 2159 1 6 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 2160 1 6 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.531 0.169 19750 2161 1 6 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.186 -0.106 19750 2162 1 6 . 1 1 49 49 ASN H H 49 8.085 8.085 8.001 0.084 19750 2163 1 6 . 1 1 50 50 ASN N N 50 118.690 118.690 120.102 -1.412 19750 2164 1 6 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.428 0.106 19750 2165 1 6 . 1 1 50 50 ASN C C 50 177.120 177.120 177.339 -0.219 19750 2166 1 6 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.488 -1.428 19750 2167 1 6 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.565 -0.885 19750 2168 1 6 . 1 1 50 50 ASN H H 50 8.020 8.020 8.062 -0.042 19750 2169 1 6 . 1 1 51 51 TYR N N 51 118.430 118.430 117.966 0.464 19750 2170 1 6 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.463 0.071 19750 2171 1 6 . 1 1 51 51 TYR C C 51 177.480 177.480 176.218 1.262 19750 2172 1 6 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.076 0.354 19750 2173 1 6 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.730 -1.020 19750 2174 1 6 . 1 1 51 51 TYR H H 51 8.106 8.106 7.737 0.369 19750 2175 1 6 . 1 1 52 52 THR N N 52 114.470 114.470 115.114 -0.644 19750 2176 1 6 . 1 1 52 52 THR HA H 52 3.943 3.943 4.282 -0.339 19750 2177 1 6 . 1 1 52 52 THR C C 52 176.970 176.970 176.072 0.898 19750 2178 1 6 . 1 1 52 52 THR CA C 52 66.220 66.220 65.400 0.820 19750 2179 1 6 . 1 1 52 52 THR CB C 52 67.580 67.580 69.107 -1.527 19750 2180 1 6 . 1 1 52 52 THR H H 52 8.247 8.247 7.969 0.278 19750 2181 1 6 . 1 1 53 53 SER N N 53 118.260 118.260 118.519 -0.259 19750 2182 1 6 . 1 1 53 53 SER HA H 53 4.338 4.338 4.476 -0.138 19750 2183 1 6 . 1 1 53 53 SER C C 53 176.990 176.990 175.890 1.100 19750 2184 1 6 . 1 1 53 53 SER CA C 53 61.300 61.300 61.045 0.255 19750 2185 1 6 . 1 1 53 53 SER CB C 53 62.020 62.020 63.056 -1.036 19750 2186 1 6 . 1 1 53 53 SER H H 53 8.064 8.064 7.764 0.300 19750 2187 1 6 . 1 1 54 54 LEU N N 54 123.950 123.950 122.812 1.138 19750 2188 1 6 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.076 0.174 19750 2189 1 6 . 1 1 54 54 LEU C C 54 179.060 179.060 177.560 1.500 19750 2190 1 6 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.858 -0.168 19750 2191 1 6 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.129 -1.139 19750 2192 1 6 . 1 1 54 54 LEU H H 54 7.631 7.631 7.405 0.226 19750 2193 1 6 . 1 1 55 55 ILE N N 55 118.770 118.770 116.249 2.521 19750 2194 1 6 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.852 -0.133 19750 2195 1 6 . 1 1 55 55 ILE C C 55 177.570 177.570 176.771 0.799 19750 2196 1 6 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.125 2.395 19750 2197 1 6 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.776 -1.317 19750 2198 1 6 . 1 1 55 55 ILE H H 55 8.051 8.051 7.520 0.531 19750 2199 1 6 . 1 1 56 56 HIS N N 56 117.770 117.770 120.315 -2.545 19750 2200 1 6 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.441 -0.186 19750 2201 1 6 . 1 1 56 56 HIS C C 56 176.790 176.790 177.140 -0.350 19750 2202 1 6 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.867 0.223 19750 2203 1 6 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.779 -2.179 19750 2204 1 6 . 1 1 56 56 HIS H H 56 8.339 8.339 7.720 0.619 19750 2205 1 6 . 1 1 57 57 SER N N 57 115.350 115.350 115.208 0.142 19750 2206 1 6 . 1 1 57 57 SER HA H 57 4.245 4.245 4.223 0.022 19750 2207 1 6 . 1 1 57 57 SER C C 57 175.990 175.990 175.999 -0.009 19750 2208 1 6 . 1 1 57 57 SER CA C 57 61.580 61.580 61.799 -0.219 19750 2209 1 6 . 1 1 57 57 SER CB C 57 62.280 62.280 63.055 -0.775 19750 2210 1 6 . 1 1 57 57 SER H H 57 8.137 8.137 7.913 0.224 19750 2211 1 6 . 1 1 58 58 LEU N N 58 122.540 122.540 123.084 -0.544 19750 2212 1 6 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.132 0.030 19750 2213 1 6 . 1 1 58 58 LEU C C 58 178.930 178.930 177.985 0.945 19750 2214 1 6 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.204 0.086 19750 2215 1 6 . 1 1 58 58 LEU CB C 58 41.190 41.190 41.987 -0.797 19750 2216 1 6 . 1 1 58 58 LEU H H 58 7.914 7.914 7.534 0.380 19750 2217 1 6 . 1 1 59 59 ILE N N 59 118.010 118.010 119.057 -1.047 19750 2218 1 6 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.614 0.175 19750 2219 1 6 . 1 1 59 59 ILE C C 59 178.120 178.120 177.462 0.658 19750 2220 1 6 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.647 -1.817 19750 2221 1 6 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.856 -0.706 19750 2222 1 6 . 1 1 59 59 ILE H H 59 7.921 7.921 7.250 0.671 19750 2223 1 6 . 1 1 60 60 GLU N N 60 119.640 119.640 120.083 -0.443 19750 2224 1 6 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.810 0.324 19750 2225 1 6 . 1 1 60 60 GLU C C 60 177.950 177.950 178.065 -0.115 19750 2226 1 6 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.392 -1.832 19750 2227 1 6 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.508 -1.798 19750 2228 1 6 . 1 1 60 60 GLU H H 60 7.925 7.925 7.744 0.181 19750 2229 1 6 . 1 1 61 61 GLU N N 61 118.990 118.990 116.880 2.110 19750 2230 1 6 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.188 0.057 19750 2231 1 6 . 1 1 61 61 GLU C C 61 177.450 177.450 177.991 -0.541 19750 2232 1 6 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.354 -1.254 19750 2233 1 6 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.744 -2.124 19750 2234 1 6 . 1 1 61 61 GLU H H 61 8.048 8.048 7.676 0.372 19750 2235 1 6 . 1 1 62 62 SER N N 62 115.260 115.260 114.766 0.494 19750 2236 1 6 . 1 1 62 62 SER HA H 62 4.324 4.324 4.412 -0.088 19750 2237 1 6 . 1 1 62 62 SER C C 62 174.940 174.940 174.754 0.186 19750 2238 1 6 . 1 1 62 62 SER CA C 62 59.620 59.620 60.604 -0.984 19750 2239 1 6 . 1 1 62 62 SER CB C 62 63.130 63.130 63.861 -0.731 19750 2240 1 6 . 1 1 62 62 SER H H 62 7.893 7.893 7.551 0.342 19750 2241 1 6 . 1 1 63 63 GLN N N 63 120.400 120.400 121.390 -0.990 19750 2242 1 6 . 1 1 63 63 GLN C C 63 176.070 176.070 174.906 1.164 19750 2243 1 6 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.171 0.619 19750 2244 1 6 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.752 0.948 19750 2245 1 6 . 1 1 63 63 GLN H H 63 7.824 7.824 8.305 -0.481 19750 2246 1 6 . 1 1 64 64 ASN N N 64 119.180 119.180 122.785 -3.605 19750 2247 1 6 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.861 -0.166 19750 2248 1 6 . 1 1 64 64 ASN C C 64 175.300 175.300 175.028 0.272 19750 2249 1 6 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.746 0.534 19750 2250 1 6 . 1 1 64 64 ASN CB C 64 38.340 38.340 40.104 -1.764 19750 2251 1 6 . 1 1 64 64 ASN H H 64 8.059 8.059 8.111 -0.052 19750 2252 1 6 . 1 1 65 65 GLN N N 65 120.740 120.740 122.387 -1.647 19750 2253 1 6 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.624 -0.304 19750 2254 1 6 . 1 1 65 65 GLN C C 65 175.890 175.890 174.813 1.077 19750 2255 1 6 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.403 0.297 19750 2256 1 6 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.234 -1.704 19750 2257 1 6 . 1 1 65 65 GLN H H 65 8.144 8.144 8.551 -0.407 19750 2258 1 6 . 1 1 66 66 GLN N N 66 121.070 121.070 123.089 -2.019 19750 2259 1 6 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.406 -0.086 19750 2260 1 6 . 1 1 66 66 GLN C C 66 175.840 175.840 175.400 0.440 19750 2261 1 6 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.158 -0.548 19750 2262 1 6 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.341 -1.671 19750 2263 1 6 . 1 1 66 66 GLN H H 66 8.199 8.199 8.733 -0.534 19750 2264 1 6 . 1 1 67 67 GLU N N 67 122.320 122.320 121.335 0.985 19750 2265 1 6 . 1 1 67 67 GLU C C 67 175.200 175.200 175.367 -0.167 19750 2266 1 6 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.428 -0.778 19750 2267 1 6 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.177 -1.767 19750 2268 1 6 . 1 1 67 67 GLU H H 67 8.194 8.194 8.481 -0.287 19750 2269 1 7 . 1 1 2 2 GLY N N 2 110.890 110.890 111.446 -0.556 19750 2270 1 7 . 1 1 2 2 GLY C C 2 174.890 174.890 173.799 1.091 19750 2271 1 7 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.885 0.665 19750 2272 1 7 . 1 1 2 2 GLY H H 2 8.294 8.294 7.871 0.423 19750 2273 1 7 . 1 1 3 3 ILE N N 3 120.800 120.800 121.682 -0.882 19750 2274 1 7 . 1 1 3 3 ILE HA H 3 4.032 4.032 4.094 -0.062 19750 2275 1 7 . 1 1 3 3 ILE C C 3 176.740 176.740 177.286 -0.546 19750 2276 1 7 . 1 1 3 3 ILE CA C 3 62.240 62.240 61.768 0.472 19750 2277 1 7 . 1 1 3 3 ILE CB C 3 37.460 37.460 39.036 -1.576 19750 2278 1 7 . 1 1 3 3 ILE H H 3 7.861 7.861 8.275 -0.414 19750 2279 1 7 . 1 1 4 4 VAL N N 4 121.090 121.090 120.748 0.342 19750 2280 1 7 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.808 0.075 19750 2281 1 7 . 1 1 4 4 VAL C C 4 176.990 176.990 177.600 -0.610 19750 2282 1 7 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.738 -2.118 19750 2283 1 7 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.706 -0.536 19750 2284 1 7 . 1 1 4 4 VAL H H 4 7.857 7.857 7.869 -0.012 19750 2285 1 7 . 1 1 5 5 GLN N N 5 121.380 121.380 119.619 1.761 19750 2286 1 7 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.893 0.342 19750 2287 1 7 . 1 1 5 5 GLN C C 5 176.960 176.960 177.875 -0.915 19750 2288 1 7 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.856 -3.107 19750 2289 1 7 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.121 0.129 19750 2290 1 7 . 1 1 5 5 GLN H H 5 8.051 8.051 8.697 -0.646 19750 2291 1 7 . 1 1 6 6 GLN N N 6 119.480 119.480 117.883 1.597 19750 2292 1 7 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.917 0.451 19750 2293 1 7 . 1 1 6 6 GLN C C 6 176.720 176.720 178.732 -2.012 19750 2294 1 7 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.880 -2.760 19750 2295 1 7 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.322 -0.102 19750 2296 1 7 . 1 1 6 6 GLN H H 6 8.018 8.018 8.280 -0.262 19750 2297 1 7 . 1 1 7 7 GLN N N 7 120.360 120.360 118.539 1.821 19750 2298 1 7 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.029 0.160 19750 2299 1 7 . 1 1 7 7 GLN C C 7 176.180 176.180 178.689 -2.509 19750 2300 1 7 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.690 -1.840 19750 2301 1 7 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.429 -0.349 19750 2302 1 7 . 1 1 7 7 GLN H H 7 8.151 8.151 7.640 0.511 19750 2303 1 7 . 1 1 8 8 ASN N N 8 119.230 119.230 118.804 0.426 19750 2304 1 7 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.502 -0.050 19750 2305 1 7 . 1 1 8 8 ASN C C 8 176.300 176.300 177.742 -1.442 19750 2306 1 7 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.647 -0.847 19750 2307 1 7 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.113 0.087 19750 2308 1 7 . 1 1 8 8 ASN H H 8 8.256 8.256 8.762 -0.506 19750 2309 1 7 . 1 1 9 9 ASN N N 9 119.840 119.840 119.349 0.491 19750 2310 1 7 . 1 1 9 9 ASN C C 9 177.150 177.150 177.633 -0.483 19750 2311 1 7 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.193 -0.253 19750 2312 1 7 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.348 -0.668 19750 2313 1 7 . 1 1 9 9 ASN H H 9 8.319 8.319 8.809 -0.490 19750 2314 1 7 . 1 1 10 10 LEU N N 10 122.900 122.900 121.290 1.610 19750 2315 1 7 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.042 0.092 19750 2316 1 7 . 1 1 10 10 LEU C C 10 178.050 178.050 178.024 0.026 19750 2317 1 7 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.027 -0.337 19750 2318 1 7 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.083 -1.323 19750 2319 1 7 . 1 1 10 10 LEU H H 10 8.194 8.194 7.641 0.553 19750 2320 1 7 . 1 1 11 11 LEU N N 11 118.800 118.800 117.839 0.961 19750 2321 1 7 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.979 0.029 19750 2322 1 7 . 1 1 11 11 LEU C C 11 178.830 178.830 179.355 -0.525 19750 2323 1 7 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.645 0.025 19750 2324 1 7 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.963 -1.733 19750 2325 1 7 . 1 1 11 11 LEU H H 11 8.030 8.030 7.536 0.494 19750 2326 1 7 . 1 1 12 12 ARG N N 12 117.710 117.710 118.391 -0.681 19750 2327 1 7 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.032 -0.019 19750 2328 1 7 . 1 1 12 12 ARG C C 12 178.840 178.840 178.263 0.577 19750 2329 1 7 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.121 -0.501 19750 2330 1 7 . 1 1 12 12 ARG CB C 12 29.050 29.050 29.941 -0.891 19750 2331 1 7 . 1 1 12 12 ARG H H 12 7.845 7.845 7.677 0.168 19750 2332 1 7 . 1 1 13 13 ALA N N 13 121.870 121.870 121.144 0.726 19750 2333 1 7 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.139 0.055 19750 2334 1 7 . 1 1 13 13 ALA C C 13 180.040 180.040 178.734 1.306 19750 2335 1 7 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.422 0.058 19750 2336 1 7 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.305 -0.805 19750 2337 1 7 . 1 1 13 13 ALA H H 13 7.681 7.681 7.989 -0.308 19750 2338 1 7 . 1 1 14 14 ILE N N 14 118.010 118.010 117.868 0.142 19750 2339 1 7 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.799 -0.066 19750 2340 1 7 . 1 1 14 14 ILE C C 14 177.760 177.760 177.850 -0.090 19750 2341 1 7 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.554 -0.214 19750 2342 1 7 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.443 -1.243 19750 2343 1 7 . 1 1 14 14 ILE H H 14 7.975 7.975 7.518 0.457 19750 2344 1 7 . 1 1 15 15 GLU N N 15 117.430 117.430 118.150 -0.720 19750 2345 1 7 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.454 -0.502 19750 2346 1 7 . 1 1 15 15 GLU C C 15 177.030 177.030 178.564 -1.534 19750 2347 1 7 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.637 -0.717 19750 2348 1 7 . 1 1 15 15 GLU CB C 15 27.420 27.420 30.023 -2.603 19750 2349 1 7 . 1 1 15 15 GLU H H 15 8.110 8.110 8.086 0.024 19750 2350 1 7 . 1 1 16 16 ALA N N 16 119.580 119.580 121.561 -1.981 19750 2351 1 7 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.228 0.115 19750 2352 1 7 . 1 1 16 16 ALA C C 16 178.570 178.570 176.826 1.744 19750 2353 1 7 . 1 1 16 16 ALA CA C 16 52.650 52.650 53.045 -0.395 19750 2354 1 7 . 1 1 16 16 ALA CB C 16 18.080 18.080 16.870 1.210 19750 2355 1 7 . 1 1 16 16 ALA H H 16 7.457 7.457 8.077 -0.620 19750 2356 1 7 . 1 1 17 17 GLN N N 17 118.840 118.840 113.956 4.884 19750 2357 1 7 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.465 -0.034 19750 2358 1 7 . 1 1 17 17 GLN C C 17 176.160 176.160 176.175 -0.015 19750 2359 1 7 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.552 -0.922 19750 2360 1 7 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.140 -2.760 19750 2361 1 7 . 1 1 17 17 GLN H H 17 7.642 7.642 8.286 -0.644 19750 2362 1 7 . 1 1 18 18 GLN N N 18 120.730 120.730 120.874 -0.144 19750 2363 1 7 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.938 0.079 19750 2364 1 7 . 1 1 18 18 GLN C C 18 177.480 177.480 177.286 0.194 19750 2365 1 7 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.395 -1.105 19750 2366 1 7 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.721 -0.601 19750 2367 1 7 . 1 1 18 18 GLN H H 18 7.975 7.975 7.623 0.352 19750 2368 1 7 . 1 1 19 19 HIS N N 19 117.470 117.470 118.696 -1.226 19750 2369 1 7 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.384 0.290 19750 2370 1 7 . 1 1 19 19 HIS C C 19 176.330 176.330 177.456 -1.126 19750 2371 1 7 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.503 -2.543 19750 2372 1 7 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.435 -2.015 19750 2373 1 7 . 1 1 19 19 HIS H H 19 8.697 8.697 8.418 0.279 19750 2374 1 7 . 1 1 20 20 LEU N N 20 120.410 120.410 121.538 -1.128 19750 2375 1 7 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.102 -0.052 19750 2376 1 7 . 1 1 20 20 LEU C C 20 179.680 179.680 178.271 1.409 19750 2377 1 7 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.609 0.131 19750 2378 1 7 . 1 1 20 20 LEU CB C 20 40.830 40.830 40.998 -0.168 19750 2379 1 7 . 1 1 20 20 LEU H H 20 8.026 8.026 8.396 -0.370 19750 2380 1 7 . 1 1 21 21 LEU N N 21 121.930 121.930 119.842 2.088 19750 2381 1 7 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.939 0.120 19750 2382 1 7 . 1 1 21 21 LEU C C 21 178.540 178.540 179.165 -0.625 19750 2383 1 7 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.746 -0.616 19750 2384 1 7 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.656 -0.526 19750 2385 1 7 . 1 1 21 21 LEU H H 21 8.433 8.433 7.550 0.883 19750 2386 1 7 . 1 1 22 22 GLN N N 22 118.540 118.540 117.773 0.767 19750 2387 1 7 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.105 -0.092 19750 2388 1 7 . 1 1 22 22 GLN C C 22 179.430 179.430 178.734 0.696 19750 2389 1 7 . 1 1 22 22 GLN CA C 22 58.900 58.900 59.027 -0.127 19750 2390 1 7 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.186 -0.716 19750 2391 1 7 . 1 1 22 22 GLN H H 22 8.087 8.087 7.801 0.286 19750 2392 1 7 . 1 1 23 23 LEU N N 23 120.750 120.750 120.509 0.241 19750 2393 1 7 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.049 0.182 19750 2394 1 7 . 1 1 23 23 LEU C C 23 178.420 178.420 179.014 -0.594 19750 2395 1 7 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.119 -0.489 19750 2396 1 7 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.107 -0.817 19750 2397 1 7 . 1 1 23 23 LEU H H 23 8.013 8.013 8.844 -0.831 19750 2398 1 7 . 1 1 24 24 THR N N 24 116.790 116.790 115.492 1.298 19750 2399 1 7 . 1 1 24 24 THR C C 24 176.180 176.180 176.632 -0.452 19750 2400 1 7 . 1 1 24 24 THR H H 24 8.024 8.024 8.000 0.024 19750 2401 1 7 . 1 1 25 25 VAL N N 25 121.130 121.130 121.763 -0.633 19750 2402 1 7 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.971 -0.396 19750 2403 1 7 . 1 1 25 25 VAL C C 25 177.600 177.600 177.611 -0.011 19750 2404 1 7 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.197 0.623 19750 2405 1 7 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.720 -0.890 19750 2406 1 7 . 1 1 25 25 VAL H H 25 8.068 8.068 7.519 0.549 19750 2407 1 7 . 1 1 26 26 TRP N N 26 120.520 120.520 120.579 -0.059 19750 2408 1 7 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.754 -0.574 19750 2409 1 7 . 1 1 26 26 TRP C C 26 178.700 178.700 178.483 0.217 19750 2410 1 7 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.605 0.826 19750 2411 1 7 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.179 -1.439 19750 2412 1 7 . 1 1 26 26 TRP H H 26 7.983 7.983 9.258 -1.274 19750 2413 1 7 . 1 1 27 27 GLY N N 27 107.880 107.880 107.685 0.195 19750 2414 1 7 . 1 1 27 27 GLY C C 27 174.990 174.990 175.844 -0.854 19750 2415 1 7 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.123 0.117 19750 2416 1 7 . 1 1 27 27 GLY H H 27 8.846 8.846 8.681 0.165 19750 2417 1 7 . 1 1 28 28 ILE N N 28 122.330 122.330 117.197 5.133 19750 2418 1 7 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.979 -0.367 19750 2419 1 7 . 1 1 28 28 ILE C C 28 178.030 178.030 177.179 0.851 19750 2420 1 7 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.799 1.061 19750 2421 1 7 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.551 -1.041 19750 2422 1 7 . 1 1 28 28 ILE H H 28 8.427 8.427 7.406 1.021 19750 2423 1 7 . 1 1 29 29 LYS N N 29 119.850 119.850 121.486 -1.636 19750 2424 1 7 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.973 0.049 19750 2425 1 7 . 1 1 29 29 LYS C C 29 180.050 180.050 178.683 1.367 19750 2426 1 7 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.246 0.024 19750 2427 1 7 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.979 -1.299 19750 2428 1 7 . 1 1 29 29 LYS H H 29 7.993 7.993 7.523 0.470 19750 2429 1 7 . 1 1 30 30 GLN N N 30 118.870 118.870 118.216 0.654 19750 2430 1 7 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.054 -0.214 19750 2431 1 7 . 1 1 30 30 GLN C C 30 178.750 178.750 178.740 0.010 19750 2432 1 7 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.522 -1.361 19750 2433 1 7 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.453 -1.593 19750 2434 1 7 . 1 1 30 30 GLN H H 30 7.800 7.800 7.776 0.024 19750 2435 1 7 . 1 1 31 31 LEU N N 31 120.220 120.220 120.170 0.050 19750 2436 1 7 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.169 -0.203 19750 2437 1 7 . 1 1 31 31 LEU C C 31 179.300 179.300 178.811 0.489 19750 2438 1 7 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.807 -0.597 19750 2439 1 7 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.802 -1.142 19750 2440 1 7 . 1 1 31 31 LEU H H 31 7.873 7.873 7.574 0.299 19750 2441 1 7 . 1 1 32 32 GLN N N 32 118.830 118.830 119.727 -0.897 19750 2442 1 7 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.872 0.071 19750 2443 1 7 . 1 1 32 32 GLN C C 32 177.910 177.910 178.330 -0.420 19750 2444 1 7 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.932 -0.712 19750 2445 1 7 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.512 -0.491 19750 2446 1 7 . 1 1 32 32 GLN H H 32 8.216 8.216 7.942 0.274 19750 2447 1 7 . 1 1 33 33 ALA N N 33 121.340 121.340 118.821 2.519 19750 2448 1 7 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.173 0.012 19750 2449 1 7 . 1 1 33 33 ALA C C 33 179.050 179.050 178.055 0.995 19750 2450 1 7 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.416 0.044 19750 2451 1 7 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.343 -0.623 19750 2452 1 7 . 1 1 33 33 ALA H H 33 7.647 7.647 7.618 0.029 19750 2453 1 7 . 1 1 34 34 ARG N N 34 117.580 117.580 118.227 -0.647 19750 2454 1 7 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.135 0.171 19750 2455 1 7 . 1 1 34 34 ARG C C 34 176.800 176.800 176.748 0.052 19750 2456 1 7 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.316 -1.086 19750 2457 1 7 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.499 -0.849 19750 2458 1 7 . 1 1 34 34 ARG H H 34 7.612 7.612 8.038 -0.426 19750 2459 1 7 . 1 1 35 35 SER N N 35 114.960 114.960 113.387 1.573 19750 2460 1 7 . 1 1 35 35 SER HA H 35 4.343 4.343 4.516 -0.173 19750 2461 1 7 . 1 1 35 35 SER C C 35 175.290 175.290 175.759 -0.469 19750 2462 1 7 . 1 1 35 35 SER CA C 35 58.930 58.930 57.772 1.159 19750 2463 1 7 . 1 1 35 35 SER CB C 35 63.370 63.370 64.624 -1.254 19750 2464 1 7 . 1 1 35 35 SER H H 35 7.827 7.827 7.566 0.261 19750 2465 1 7 . 1 1 36 36 GLY N N 36 110.340 110.340 110.410 -0.070 19750 2466 1 7 . 1 1 36 36 GLY C C 36 174.840 174.840 174.044 0.796 19750 2467 1 7 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.230 1.109 19750 2468 1 7 . 1 1 36 36 GLY H H 36 8.132 8.132 8.667 -0.535 19750 2469 1 7 . 1 1 37 37 GLY N N 37 108.880 108.880 106.961 1.919 19750 2470 1 7 . 1 1 37 37 GLY C C 37 174.400 174.400 174.508 -0.108 19750 2471 1 7 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.425 0.546 19750 2472 1 7 . 1 1 37 37 GLY H H 37 8.190 8.190 7.475 0.715 19750 2473 1 7 . 1 1 38 38 ARG N N 38 120.630 120.630 121.804 -1.174 19750 2474 1 7 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.534 -0.219 19750 2475 1 7 . 1 1 38 38 ARG C C 38 176.900 176.900 175.887 1.013 19750 2476 1 7 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.714 0.336 19750 2477 1 7 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.736 0.014 19750 2478 1 7 . 1 1 38 38 ARG H H 38 8.118 8.118 8.460 -0.342 19750 2479 1 7 . 1 1 39 39 GLY N N 39 109.360 109.360 108.680 0.680 19750 2480 1 7 . 1 1 39 39 GLY C C 39 174.690 174.690 173.881 0.809 19750 2481 1 7 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.571 0.549 19750 2482 1 7 . 1 1 39 39 GLY H H 39 8.374 8.374 8.174 0.200 19750 2483 1 7 . 1 1 40 40 GLY N N 40 109.060 109.060 107.627 1.433 19750 2484 1 7 . 1 1 40 40 GLY C C 40 174.680 174.680 174.085 0.595 19750 2485 1 7 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.953 0.127 19750 2486 1 7 . 1 1 40 40 GLY H H 40 7.995 7.995 8.369 -0.374 19750 2487 1 7 . 1 1 41 41 TRP N N 41 121.260 121.260 126.704 -5.444 19750 2488 1 7 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.781 -0.382 19750 2489 1 7 . 1 1 41 41 TRP C C 41 177.300 177.300 175.662 1.638 19750 2490 1 7 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.409 1.171 19750 2491 1 7 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.502 -1.812 19750 2492 1 7 . 1 1 41 41 TRP H H 41 8.176 8.176 8.974 -0.798 19750 2493 1 7 . 1 1 42 42 MET N N 42 118.570 118.570 120.747 -2.177 19750 2494 1 7 . 1 1 42 42 MET HA H 42 4.185 4.185 4.559 -0.374 19750 2495 1 7 . 1 1 42 42 MET C C 42 177.930 177.930 178.323 -0.393 19750 2496 1 7 . 1 1 42 42 MET CA C 42 57.460 57.460 58.339 -0.879 19750 2497 1 7 . 1 1 42 42 MET CB C 42 30.920 30.920 32.426 -1.506 19750 2498 1 7 . 1 1 42 42 MET H H 42 8.120 8.120 7.965 0.155 19750 2499 1 7 . 1 1 43 43 GLU N N 43 119.600 119.600 119.224 0.376 19750 2500 1 7 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.969 0.230 19750 2501 1 7 . 1 1 43 43 GLU C C 43 177.980 177.980 178.979 -0.999 19750 2502 1 7 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.339 -2.819 19750 2503 1 7 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.981 -1.421 19750 2504 1 7 . 1 1 43 43 GLU H H 43 7.834 7.834 8.927 -1.093 19750 2505 1 7 . 1 1 44 44 TRP N N 44 120.890 120.890 116.699 4.191 19750 2506 1 7 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.531 -0.039 19750 2507 1 7 . 1 1 44 44 TRP C C 44 177.480 177.480 177.526 -0.046 19750 2508 1 7 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.000 0.960 19750 2509 1 7 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.414 0.006 19750 2510 1 7 . 1 1 44 44 TRP H H 44 7.824 7.824 8.391 -0.567 19750 2511 1 7 . 1 1 45 45 ASP N N 45 118.210 118.210 118.884 -0.674 19750 2512 1 7 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.662 -0.310 19750 2513 1 7 . 1 1 45 45 ASP C C 45 177.070 177.070 176.971 0.099 19750 2514 1 7 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.285 -0.335 19750 2515 1 7 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.639 -2.379 19750 2516 1 7 . 1 1 45 45 ASP H H 45 8.325 8.325 8.711 -0.386 19750 2517 1 7 . 1 1 46 46 ARG N N 46 119.510 119.510 119.710 -0.200 19750 2518 1 7 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.364 -0.263 19750 2519 1 7 . 1 1 46 46 ARG C C 46 178.410 178.410 177.956 0.454 19750 2520 1 7 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.178 0.262 19750 2521 1 7 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.305 -2.115 19750 2522 1 7 . 1 1 46 46 ARG H H 46 7.860 7.860 7.704 0.156 19750 2523 1 7 . 1 1 47 47 GLU N N 47 118.470 118.470 120.836 -2.366 19750 2524 1 7 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.170 0.117 19750 2525 1 7 . 1 1 47 47 GLU C C 47 178.170 178.170 178.611 -0.441 19750 2526 1 7 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.104 -1.294 19750 2527 1 7 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.481 -1.761 19750 2528 1 7 . 1 1 47 47 GLU H H 47 7.874 7.874 7.746 0.128 19750 2529 1 7 . 1 1 48 48 ILE N N 48 118.800 118.800 115.134 3.666 19750 2530 1 7 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.797 0.132 19750 2531 1 7 . 1 1 48 48 ILE C C 48 178.060 178.060 177.301 0.759 19750 2532 1 7 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.975 0.055 19750 2533 1 7 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.426 -0.436 19750 2534 1 7 . 1 1 48 48 ILE H H 48 8.199 8.199 7.587 0.612 19750 2535 1 7 . 1 1 49 49 ASN N N 49 119.580 119.580 118.963 0.617 19750 2536 1 7 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.677 -0.078 19750 2537 1 7 . 1 1 49 49 ASN C C 49 177.110 177.110 177.065 0.045 19750 2538 1 7 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.525 0.175 19750 2539 1 7 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.182 -0.102 19750 2540 1 7 . 1 1 49 49 ASN H H 49 8.085 8.085 7.996 0.089 19750 2541 1 7 . 1 1 50 50 ASN N N 50 118.690 118.690 120.099 -1.409 19750 2542 1 7 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.424 0.110 19750 2543 1 7 . 1 1 50 50 ASN C C 50 177.120 177.120 177.335 -0.215 19750 2544 1 7 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.483 -1.423 19750 2545 1 7 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.560 -0.880 19750 2546 1 7 . 1 1 50 50 ASN H H 50 8.020 8.020 8.058 -0.038 19750 2547 1 7 . 1 1 51 51 TYR N N 51 118.430 118.430 117.965 0.465 19750 2548 1 7 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.457 0.077 19750 2549 1 7 . 1 1 51 51 TYR C C 51 177.480 177.480 176.217 1.263 19750 2550 1 7 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.074 0.356 19750 2551 1 7 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.722 -1.012 19750 2552 1 7 . 1 1 51 51 TYR H H 51 8.106 8.106 7.731 0.375 19750 2553 1 7 . 1 1 52 52 THR N N 52 114.470 114.470 115.113 -0.643 19750 2554 1 7 . 1 1 52 52 THR HA H 52 3.943 3.943 4.282 -0.339 19750 2555 1 7 . 1 1 52 52 THR C C 52 176.970 176.970 176.069 0.901 19750 2556 1 7 . 1 1 52 52 THR CA C 52 66.220 66.220 65.399 0.821 19750 2557 1 7 . 1 1 52 52 THR CB C 52 67.580 67.580 69.105 -1.525 19750 2558 1 7 . 1 1 52 52 THR H H 52 8.247 8.247 7.966 0.281 19750 2559 1 7 . 1 1 53 53 SER N N 53 118.260 118.260 118.515 -0.255 19750 2560 1 7 . 1 1 53 53 SER HA H 53 4.338 4.338 4.473 -0.135 19750 2561 1 7 . 1 1 53 53 SER C C 53 176.990 176.990 175.888 1.102 19750 2562 1 7 . 1 1 53 53 SER CA C 53 61.300 61.300 61.034 0.266 19750 2563 1 7 . 1 1 53 53 SER CB C 53 62.020 62.020 63.056 -1.036 19750 2564 1 7 . 1 1 53 53 SER H H 53 8.064 8.064 7.759 0.305 19750 2565 1 7 . 1 1 54 54 LEU N N 54 123.950 123.950 123.022 0.928 19750 2566 1 7 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.075 0.175 19750 2567 1 7 . 1 1 54 54 LEU C C 54 179.060 179.060 177.752 1.308 19750 2568 1 7 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.715 -0.025 19750 2569 1 7 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.148 -1.158 19750 2570 1 7 . 1 1 54 54 LEU H H 54 7.631 7.631 7.369 0.262 19750 2571 1 7 . 1 1 55 55 ILE N N 55 118.770 118.770 116.217 2.553 19750 2572 1 7 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.858 -0.139 19750 2573 1 7 . 1 1 55 55 ILE C C 55 177.570 177.570 176.720 0.850 19750 2574 1 7 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.090 2.430 19750 2575 1 7 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.789 -1.329 19750 2576 1 7 . 1 1 55 55 ILE H H 55 8.051 8.051 7.519 0.532 19750 2577 1 7 . 1 1 56 56 HIS N N 56 117.770 117.770 120.351 -2.581 19750 2578 1 7 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.438 -0.183 19750 2579 1 7 . 1 1 56 56 HIS C C 56 176.790 176.790 177.146 -0.356 19750 2580 1 7 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.946 0.144 19750 2581 1 7 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.796 -2.196 19750 2582 1 7 . 1 1 56 56 HIS H H 56 8.339 8.339 7.735 0.604 19750 2583 1 7 . 1 1 57 57 SER N N 57 115.350 115.350 115.354 -0.004 19750 2584 1 7 . 1 1 57 57 SER HA H 57 4.245 4.245 4.202 0.043 19750 2585 1 7 . 1 1 57 57 SER C C 57 175.990 175.990 175.985 0.005 19750 2586 1 7 . 1 1 57 57 SER CA C 57 61.580 61.580 62.031 -0.451 19750 2587 1 7 . 1 1 57 57 SER CB C 57 62.280 62.280 63.132 -0.852 19750 2588 1 7 . 1 1 57 57 SER H H 57 8.137 8.137 7.885 0.252 19750 2589 1 7 . 1 1 58 58 LEU N N 58 122.540 122.540 123.092 -0.552 19750 2590 1 7 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.110 0.052 19750 2591 1 7 . 1 1 58 58 LEU C C 58 178.930 178.930 178.226 0.704 19750 2592 1 7 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.422 -0.132 19750 2593 1 7 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.029 -0.839 19750 2594 1 7 . 1 1 58 58 LEU H H 58 7.914 7.914 7.561 0.353 19750 2595 1 7 . 1 1 59 59 ILE N N 59 118.010 118.010 118.589 -0.579 19750 2596 1 7 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.655 0.134 19750 2597 1 7 . 1 1 59 59 ILE C C 59 178.120 178.120 177.497 0.623 19750 2598 1 7 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.401 -1.571 19750 2599 1 7 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.028 -0.878 19750 2600 1 7 . 1 1 59 59 ILE H H 59 7.921 7.921 7.298 0.623 19750 2601 1 7 . 1 1 60 60 GLU N N 60 119.640 119.640 120.078 -0.438 19750 2602 1 7 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.841 0.293 19750 2603 1 7 . 1 1 60 60 GLU C C 60 177.950 177.950 178.004 -0.054 19750 2604 1 7 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.321 -1.761 19750 2605 1 7 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.572 -1.862 19750 2606 1 7 . 1 1 60 60 GLU H H 60 7.925 7.925 7.796 0.129 19750 2607 1 7 . 1 1 61 61 GLU N N 61 118.990 118.990 116.442 2.548 19750 2608 1 7 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.215 0.030 19750 2609 1 7 . 1 1 61 61 GLU C C 61 177.450 177.450 177.837 -0.387 19750 2610 1 7 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.163 -1.063 19750 2611 1 7 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.804 -2.184 19750 2612 1 7 . 1 1 61 61 GLU H H 61 8.048 8.048 7.842 0.206 19750 2613 1 7 . 1 1 62 62 SER N N 62 115.260 115.260 114.721 0.539 19750 2614 1 7 . 1 1 62 62 SER HA H 62 4.324 4.324 4.486 -0.162 19750 2615 1 7 . 1 1 62 62 SER C C 62 174.940 174.940 174.651 0.289 19750 2616 1 7 . 1 1 62 62 SER CA C 62 59.620 59.620 60.111 -0.491 19750 2617 1 7 . 1 1 62 62 SER CB C 62 63.130 63.130 63.945 -0.815 19750 2618 1 7 . 1 1 62 62 SER H H 62 7.893 7.893 7.491 0.402 19750 2619 1 7 . 1 1 63 63 GLN N N 63 120.400 120.400 121.592 -1.192 19750 2620 1 7 . 1 1 63 63 GLN C C 63 176.070 176.070 175.017 1.053 19750 2621 1 7 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.066 0.724 19750 2622 1 7 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.697 1.003 19750 2623 1 7 . 1 1 63 63 GLN H H 63 7.824 7.824 8.235 -0.411 19750 2624 1 7 . 1 1 64 64 ASN N N 64 119.180 119.180 122.816 -3.636 19750 2625 1 7 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.836 -0.141 19750 2626 1 7 . 1 1 64 64 ASN C C 64 175.300 175.300 175.041 0.259 19750 2627 1 7 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.828 0.452 19750 2628 1 7 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.974 -1.634 19750 2629 1 7 . 1 1 64 64 ASN H H 64 8.059 8.059 8.103 -0.044 19750 2630 1 7 . 1 1 65 65 GLN N N 65 120.740 120.740 122.091 -1.351 19750 2631 1 7 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.626 -0.306 19750 2632 1 7 . 1 1 65 65 GLN C C 65 175.890 175.890 174.768 1.122 19750 2633 1 7 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.380 0.320 19750 2634 1 7 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.386 -1.856 19750 2635 1 7 . 1 1 65 65 GLN H H 65 8.144 8.144 8.532 -0.388 19750 2636 1 7 . 1 1 66 66 GLN N N 66 121.070 121.070 122.637 -1.567 19750 2637 1 7 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.396 -0.076 19750 2638 1 7 . 1 1 66 66 GLN C C 66 175.840 175.840 175.315 0.525 19750 2639 1 7 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.174 -0.564 19750 2640 1 7 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.324 -1.654 19750 2641 1 7 . 1 1 66 66 GLN H H 66 8.199 8.199 8.725 -0.526 19750 2642 1 7 . 1 1 67 67 GLU N N 67 122.320 122.320 121.363 0.957 19750 2643 1 7 . 1 1 67 67 GLU C C 67 175.200 175.200 175.361 -0.161 19750 2644 1 7 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.439 -0.789 19750 2645 1 7 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.172 -1.762 19750 2646 1 7 . 1 1 67 67 GLU H H 67 8.194 8.194 8.488 -0.294 19750 2647 1 8 . 1 1 2 2 GLY N N 2 110.890 110.890 111.657 -0.767 19750 2648 1 8 . 1 1 2 2 GLY C C 2 174.890 174.890 174.417 0.473 19750 2649 1 8 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.011 0.539 19750 2650 1 8 . 1 1 2 2 GLY H H 2 8.294 8.294 7.894 0.400 19750 2651 1 8 . 1 1 3 3 ILE N N 3 120.800 120.800 120.887 -0.087 19750 2652 1 8 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.875 0.157 19750 2653 1 8 . 1 1 3 3 ILE C C 3 176.740 176.740 177.483 -0.743 19750 2654 1 8 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.782 -0.542 19750 2655 1 8 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.538 -1.078 19750 2656 1 8 . 1 1 3 3 ILE H H 3 7.861 7.861 8.196 -0.335 19750 2657 1 8 . 1 1 4 4 VAL N N 4 121.090 121.090 119.738 1.352 19750 2658 1 8 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.834 0.049 19750 2659 1 8 . 1 1 4 4 VAL C C 4 176.990 176.990 177.611 -0.621 19750 2660 1 8 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.440 -1.820 19750 2661 1 8 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.656 -0.486 19750 2662 1 8 . 1 1 4 4 VAL H H 4 7.857 7.857 7.816 0.041 19750 2663 1 8 . 1 1 5 5 GLN N N 5 121.380 121.380 119.943 1.437 19750 2664 1 8 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.897 0.338 19750 2665 1 8 . 1 1 5 5 GLN C C 5 176.960 176.960 177.976 -1.016 19750 2666 1 8 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.574 -2.824 19750 2667 1 8 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.113 0.137 19750 2668 1 8 . 1 1 5 5 GLN H H 5 8.051 8.051 8.661 -0.610 19750 2669 1 8 . 1 1 6 6 GLN N N 6 119.480 119.480 117.973 1.507 19750 2670 1 8 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.931 0.437 19750 2671 1 8 . 1 1 6 6 GLN C C 6 176.720 176.720 178.655 -1.935 19750 2672 1 8 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.936 -2.816 19750 2673 1 8 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.374 -0.154 19750 2674 1 8 . 1 1 6 6 GLN H H 6 8.018 8.018 7.723 0.295 19750 2675 1 8 . 1 1 7 7 GLN N N 7 120.360 120.360 118.536 1.824 19750 2676 1 8 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.016 0.173 19750 2677 1 8 . 1 1 7 7 GLN C C 7 176.180 176.180 178.723 -2.543 19750 2678 1 8 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.742 -1.892 19750 2679 1 8 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.373 -0.293 19750 2680 1 8 . 1 1 7 7 GLN H H 7 8.151 8.151 7.805 0.346 19750 2681 1 8 . 1 1 8 8 ASN N N 8 119.230 119.230 118.525 0.705 19750 2682 1 8 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.547 -0.095 19750 2683 1 8 . 1 1 8 8 ASN C C 8 176.300 176.300 177.768 -1.468 19750 2684 1 8 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.533 -0.733 19750 2685 1 8 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.108 0.092 19750 2686 1 8 . 1 1 8 8 ASN H H 8 8.256 8.256 8.715 -0.459 19750 2687 1 8 . 1 1 9 9 ASN N N 9 119.840 119.840 119.931 -0.091 19750 2688 1 8 . 1 1 9 9 ASN C C 9 177.150 177.150 177.440 -0.290 19750 2689 1 8 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.246 -0.306 19750 2690 1 8 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.476 -0.796 19750 2691 1 8 . 1 1 9 9 ASN H H 9 8.319 8.319 8.529 -0.210 19750 2692 1 8 . 1 1 10 10 LEU N N 10 122.900 122.900 122.377 0.523 19750 2693 1 8 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.040 0.094 19750 2694 1 8 . 1 1 10 10 LEU C C 10 178.050 178.050 178.213 -0.163 19750 2695 1 8 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.289 -0.599 19750 2696 1 8 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.012 -1.252 19750 2697 1 8 . 1 1 10 10 LEU H H 10 8.194 8.194 8.265 -0.071 19750 2698 1 8 . 1 1 11 11 LEU N N 11 118.800 118.800 117.843 0.957 19750 2699 1 8 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.993 0.015 19750 2700 1 8 . 1 1 11 11 LEU C C 11 178.830 178.830 178.845 -0.015 19750 2701 1 8 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.341 0.329 19750 2702 1 8 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.987 -1.757 19750 2703 1 8 . 1 1 11 11 LEU H H 11 8.030 8.030 7.393 0.637 19750 2704 1 8 . 1 1 12 12 ARG N N 12 117.710 117.710 118.208 -0.498 19750 2705 1 8 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.069 -0.056 19750 2706 1 8 . 1 1 12 12 ARG C C 12 178.840 178.840 178.542 0.298 19750 2707 1 8 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.909 -0.289 19750 2708 1 8 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.192 -1.142 19750 2709 1 8 . 1 1 12 12 ARG H H 12 7.845 7.845 7.501 0.344 19750 2710 1 8 . 1 1 13 13 ALA N N 13 121.870 121.870 122.409 -0.539 19750 2711 1 8 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.119 0.075 19750 2712 1 8 . 1 1 13 13 ALA C C 13 180.040 180.040 179.048 0.992 19750 2713 1 8 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.790 -0.310 19750 2714 1 8 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.261 -0.761 19750 2715 1 8 . 1 1 13 13 ALA H H 13 7.681 7.681 8.526 -0.845 19750 2716 1 8 . 1 1 14 14 ILE N N 14 118.010 118.010 117.914 0.096 19750 2717 1 8 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.710 0.023 19750 2718 1 8 . 1 1 14 14 ILE C C 14 177.760 177.760 178.182 -0.422 19750 2719 1 8 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.018 -0.678 19750 2720 1 8 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.259 -1.059 19750 2721 1 8 . 1 1 14 14 ILE H H 14 7.975 7.975 7.451 0.524 19750 2722 1 8 . 1 1 15 15 GLU N N 15 117.430 117.430 118.095 -0.665 19750 2723 1 8 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.425 -0.473 19750 2724 1 8 . 1 1 15 15 GLU C C 15 177.030 177.030 178.029 -0.999 19750 2725 1 8 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.844 -0.924 19750 2726 1 8 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.812 -2.392 19750 2727 1 8 . 1 1 15 15 GLU H H 15 8.110 8.110 8.191 -0.081 19750 2728 1 8 . 1 1 16 16 ALA N N 16 119.580 119.580 119.585 -0.005 19750 2729 1 8 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.306 0.037 19750 2730 1 8 . 1 1 16 16 ALA C C 16 178.570 178.570 177.039 1.531 19750 2731 1 8 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.780 -0.130 19750 2732 1 8 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.188 0.892 19750 2733 1 8 . 1 1 16 16 ALA H H 16 7.457 7.457 7.961 -0.504 19750 2734 1 8 . 1 1 17 17 GLN N N 17 118.840 118.840 114.000 4.840 19750 2735 1 8 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.472 -0.041 19750 2736 1 8 . 1 1 17 17 GLN C C 17 176.160 176.160 176.367 -0.207 19750 2737 1 8 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.545 -0.915 19750 2738 1 8 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.373 -2.993 19750 2739 1 8 . 1 1 17 17 GLN H H 17 7.642 7.642 8.066 -0.424 19750 2740 1 8 . 1 1 18 18 GLN N N 18 120.730 120.730 120.890 -0.160 19750 2741 1 8 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.957 0.060 19750 2742 1 8 . 1 1 18 18 GLN C C 18 177.480 177.480 177.482 -0.002 19750 2743 1 8 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.407 -1.117 19750 2744 1 8 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.734 -0.614 19750 2745 1 8 . 1 1 18 18 GLN H H 18 7.975 7.975 7.601 0.374 19750 2746 1 8 . 1 1 19 19 HIS N N 19 117.470 117.470 118.680 -1.210 19750 2747 1 8 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.389 0.285 19750 2748 1 8 . 1 1 19 19 HIS C C 19 176.330 176.330 177.496 -1.166 19750 2749 1 8 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.530 -2.570 19750 2750 1 8 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.497 -2.077 19750 2751 1 8 . 1 1 19 19 HIS H H 19 8.697 8.697 8.444 0.253 19750 2752 1 8 . 1 1 20 20 LEU N N 20 120.410 120.410 122.028 -1.618 19750 2753 1 8 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.132 -0.082 19750 2754 1 8 . 1 1 20 20 LEU C C 20 179.680 179.680 178.296 1.384 19750 2755 1 8 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.607 0.133 19750 2756 1 8 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.175 -0.345 19750 2757 1 8 . 1 1 20 20 LEU H H 20 8.026 8.026 8.397 -0.371 19750 2758 1 8 . 1 1 21 21 LEU N N 21 121.930 121.930 119.324 2.606 19750 2759 1 8 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.955 0.104 19750 2760 1 8 . 1 1 21 21 LEU C C 21 178.540 178.540 179.346 -0.806 19750 2761 1 8 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.623 -0.493 19750 2762 1 8 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.742 -0.612 19750 2763 1 8 . 1 1 21 21 LEU H H 21 8.433 8.433 7.624 0.809 19750 2764 1 8 . 1 1 22 22 GLN N N 22 118.540 118.540 117.903 0.637 19750 2765 1 8 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.166 -0.153 19750 2766 1 8 . 1 1 22 22 GLN C C 22 179.430 179.430 178.692 0.738 19750 2767 1 8 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.672 0.228 19750 2768 1 8 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.463 -0.993 19750 2769 1 8 . 1 1 22 22 GLN H H 22 8.087 8.087 7.599 0.488 19750 2770 1 8 . 1 1 23 23 LEU N N 23 120.750 120.750 121.013 -0.263 19750 2771 1 8 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.007 0.224 19750 2772 1 8 . 1 1 23 23 LEU C C 23 178.420 178.420 178.889 -0.469 19750 2773 1 8 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.156 -0.526 19750 2774 1 8 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.131 -0.841 19750 2775 1 8 . 1 1 23 23 LEU H H 23 8.013 8.013 8.653 -0.640 19750 2776 1 8 . 1 1 24 24 THR N N 24 116.790 116.790 115.613 1.177 19750 2777 1 8 . 1 1 24 24 THR C C 24 176.180 176.180 176.709 -0.529 19750 2778 1 8 . 1 1 24 24 THR H H 24 8.024 8.024 8.399 -0.375 19750 2779 1 8 . 1 1 25 25 VAL N N 25 121.130 121.130 121.344 -0.214 19750 2780 1 8 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.896 -0.321 19750 2781 1 8 . 1 1 25 25 VAL C C 25 177.600 177.600 177.902 -0.302 19750 2782 1 8 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.309 0.511 19750 2783 1 8 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.607 -0.777 19750 2784 1 8 . 1 1 25 25 VAL H H 25 8.068 8.068 7.486 0.582 19750 2785 1 8 . 1 1 26 26 TRP N N 26 120.520 120.520 120.299 0.221 19750 2786 1 8 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.726 -0.546 19750 2787 1 8 . 1 1 26 26 TRP C C 26 178.700 178.700 178.596 0.104 19750 2788 1 8 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.476 0.954 19750 2789 1 8 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.027 -1.287 19750 2790 1 8 . 1 1 26 26 TRP H H 26 7.983 7.983 8.825 -0.842 19750 2791 1 8 . 1 1 27 27 GLY N N 27 107.880 107.880 108.662 -0.782 19750 2792 1 8 . 1 1 27 27 GLY C C 27 174.990 174.990 175.785 -0.795 19750 2793 1 8 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.066 0.174 19750 2794 1 8 . 1 1 27 27 GLY H H 27 8.846 8.846 8.615 0.231 19750 2795 1 8 . 1 1 28 28 ILE N N 28 122.330 122.330 117.556 4.774 19750 2796 1 8 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.938 -0.326 19750 2797 1 8 . 1 1 28 28 ILE C C 28 178.030 178.030 177.258 0.772 19750 2798 1 8 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.988 0.872 19750 2799 1 8 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.524 -1.014 19750 2800 1 8 . 1 1 28 28 ILE H H 28 8.427 8.427 7.700 0.727 19750 2801 1 8 . 1 1 29 29 LYS N N 29 119.850 119.850 121.253 -1.403 19750 2802 1 8 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.991 0.031 19750 2803 1 8 . 1 1 29 29 LYS C C 29 180.050 180.050 178.758 1.292 19750 2804 1 8 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.143 0.127 19750 2805 1 8 . 1 1 29 29 LYS CB C 29 30.680 30.680 32.006 -1.326 19750 2806 1 8 . 1 1 29 29 LYS H H 29 7.993 7.993 7.512 0.481 19750 2807 1 8 . 1 1 30 30 GLN N N 30 118.870 118.870 118.513 0.357 19750 2808 1 8 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.066 -0.226 19750 2809 1 8 . 1 1 30 30 GLN C C 30 178.750 178.750 178.579 0.171 19750 2810 1 8 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.359 -1.200 19750 2811 1 8 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.463 -1.603 19750 2812 1 8 . 1 1 30 30 GLN H H 30 7.800 7.800 7.735 0.065 19750 2813 1 8 . 1 1 31 31 LEU N N 31 120.220 120.220 120.478 -0.258 19750 2814 1 8 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.172 -0.206 19750 2815 1 8 . 1 1 31 31 LEU C C 31 179.300 179.300 178.789 0.511 19750 2816 1 8 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.943 -0.733 19750 2817 1 8 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.806 -1.146 19750 2818 1 8 . 1 1 31 31 LEU H H 31 7.873 7.873 7.670 0.203 19750 2819 1 8 . 1 1 32 32 GLN N N 32 118.830 118.830 119.628 -0.798 19750 2820 1 8 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.895 0.048 19750 2821 1 8 . 1 1 32 32 GLN C C 32 177.910 177.910 178.300 -0.390 19750 2822 1 8 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.877 -0.657 19750 2823 1 8 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.501 -0.481 19750 2824 1 8 . 1 1 32 32 GLN H H 32 8.216 8.216 7.848 0.368 19750 2825 1 8 . 1 1 33 33 ALA N N 33 121.340 121.340 119.290 2.050 19750 2826 1 8 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.153 0.032 19750 2827 1 8 . 1 1 33 33 ALA C C 33 179.050 179.050 177.794 1.256 19750 2828 1 8 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.236 0.224 19750 2829 1 8 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.402 -0.682 19750 2830 1 8 . 1 1 33 33 ALA H H 33 7.647 7.647 7.579 0.068 19750 2831 1 8 . 1 1 34 34 ARG N N 34 117.580 117.580 118.199 -0.619 19750 2832 1 8 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.150 0.156 19750 2833 1 8 . 1 1 34 34 ARG C C 34 176.800 176.800 176.736 0.064 19750 2834 1 8 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.009 -0.779 19750 2835 1 8 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.532 -0.882 19750 2836 1 8 . 1 1 34 34 ARG H H 34 7.612 7.612 8.062 -0.450 19750 2837 1 8 . 1 1 35 35 SER N N 35 114.960 114.960 113.661 1.299 19750 2838 1 8 . 1 1 35 35 SER HA H 35 4.343 4.343 4.501 -0.158 19750 2839 1 8 . 1 1 35 35 SER C C 35 175.290 175.290 175.787 -0.497 19750 2840 1 8 . 1 1 35 35 SER CA C 35 58.930 58.930 57.759 1.171 19750 2841 1 8 . 1 1 35 35 SER CB C 35 63.370 63.370 64.481 -1.111 19750 2842 1 8 . 1 1 35 35 SER H H 35 7.827 7.827 7.544 0.283 19750 2843 1 8 . 1 1 36 36 GLY N N 36 110.340 110.340 110.071 0.269 19750 2844 1 8 . 1 1 36 36 GLY C C 36 174.840 174.840 174.096 0.744 19750 2845 1 8 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.162 1.178 19750 2846 1 8 . 1 1 36 36 GLY H H 36 8.132 8.132 8.622 -0.490 19750 2847 1 8 . 1 1 37 37 GLY N N 37 108.880 108.880 106.942 1.938 19750 2848 1 8 . 1 1 37 37 GLY C C 37 174.400 174.400 174.646 -0.246 19750 2849 1 8 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.496 0.474 19750 2850 1 8 . 1 1 37 37 GLY H H 37 8.190 8.190 7.513 0.677 19750 2851 1 8 . 1 1 38 38 ARG N N 38 120.630 120.630 121.838 -1.208 19750 2852 1 8 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.520 -0.205 19750 2853 1 8 . 1 1 38 38 ARG C C 38 176.900 176.900 175.852 1.048 19750 2854 1 8 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.723 0.327 19750 2855 1 8 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.635 0.115 19750 2856 1 8 . 1 1 38 38 ARG H H 38 8.118 8.118 8.469 -0.351 19750 2857 1 8 . 1 1 39 39 GLY N N 39 109.360 109.360 108.824 0.536 19750 2858 1 8 . 1 1 39 39 GLY C C 39 174.690 174.690 173.848 0.842 19750 2859 1 8 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.648 0.472 19750 2860 1 8 . 1 1 39 39 GLY H H 39 8.374 8.374 8.226 0.148 19750 2861 1 8 . 1 1 40 40 GLY N N 40 109.060 109.060 107.640 1.420 19750 2862 1 8 . 1 1 40 40 GLY C C 40 174.680 174.680 174.036 0.644 19750 2863 1 8 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.901 0.179 19750 2864 1 8 . 1 1 40 40 GLY H H 40 7.995 7.995 8.403 -0.408 19750 2865 1 8 . 1 1 41 41 TRP N N 41 121.260 121.260 127.243 -5.983 19750 2866 1 8 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.764 -0.365 19750 2867 1 8 . 1 1 41 41 TRP C C 41 177.300 177.300 176.274 1.026 19750 2868 1 8 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.328 1.252 19750 2869 1 8 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.829 -2.139 19750 2870 1 8 . 1 1 41 41 TRP H H 41 8.176 8.176 8.938 -0.762 19750 2871 1 8 . 1 1 42 42 MET N N 42 118.570 118.570 120.228 -1.658 19750 2872 1 8 . 1 1 42 42 MET HA H 42 4.185 4.185 4.110 0.075 19750 2873 1 8 . 1 1 42 42 MET C C 42 177.930 177.930 178.325 -0.395 19750 2874 1 8 . 1 1 42 42 MET CA C 42 57.460 57.460 58.748 -1.288 19750 2875 1 8 . 1 1 42 42 MET CB C 42 30.920 30.920 32.288 -1.367 19750 2876 1 8 . 1 1 42 42 MET H H 42 8.120 8.120 8.313 -0.193 19750 2877 1 8 . 1 1 43 43 GLU N N 43 119.600 119.600 118.986 0.614 19750 2878 1 8 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.969 0.230 19750 2879 1 8 . 1 1 43 43 GLU C C 43 177.980 177.980 178.741 -0.761 19750 2880 1 8 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.020 -2.499 19750 2881 1 8 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.949 -1.389 19750 2882 1 8 . 1 1 43 43 GLU H H 43 7.834 7.834 8.764 -0.930 19750 2883 1 8 . 1 1 44 44 TRP N N 44 120.890 120.890 117.324 3.566 19750 2884 1 8 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.405 0.087 19750 2885 1 8 . 1 1 44 44 TRP C C 44 177.480 177.480 177.725 -0.245 19750 2886 1 8 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.066 -0.106 19750 2887 1 8 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.558 -0.138 19750 2888 1 8 . 1 1 44 44 TRP H H 44 7.824 7.824 8.590 -0.766 19750 2889 1 8 . 1 1 45 45 ASP N N 45 118.210 118.210 117.778 0.432 19750 2890 1 8 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.613 -0.261 19750 2891 1 8 . 1 1 45 45 ASP C C 45 177.070 177.070 176.975 0.095 19750 2892 1 8 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.046 -0.096 19750 2893 1 8 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.610 -2.350 19750 2894 1 8 . 1 1 45 45 ASP H H 45 8.325 8.325 7.807 0.518 19750 2895 1 8 . 1 1 46 46 ARG N N 46 119.510 119.510 119.768 -0.258 19750 2896 1 8 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.361 -0.260 19750 2897 1 8 . 1 1 46 46 ARG C C 46 178.410 178.410 177.994 0.416 19750 2898 1 8 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.249 0.191 19750 2899 1 8 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.280 -2.090 19750 2900 1 8 . 1 1 46 46 ARG H H 46 7.860 7.860 8.215 -0.355 19750 2901 1 8 . 1 1 47 47 GLU N N 47 118.470 118.470 120.904 -2.434 19750 2902 1 8 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.167 0.120 19750 2903 1 8 . 1 1 47 47 GLU C C 47 178.170 178.170 178.626 -0.456 19750 2904 1 8 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.124 -1.314 19750 2905 1 8 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.479 -1.759 19750 2906 1 8 . 1 1 47 47 GLU H H 47 7.874 7.874 7.619 0.255 19750 2907 1 8 . 1 1 48 48 ILE N N 48 118.800 118.800 115.125 3.675 19750 2908 1 8 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.793 0.136 19750 2909 1 8 . 1 1 48 48 ILE C C 48 178.060 178.060 177.302 0.758 19750 2910 1 8 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.990 0.040 19750 2911 1 8 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.421 -0.431 19750 2912 1 8 . 1 1 48 48 ILE H H 48 8.199 8.199 7.582 0.617 19750 2913 1 8 . 1 1 49 49 ASN N N 49 119.580 119.580 118.955 0.625 19750 2914 1 8 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.676 -0.077 19750 2915 1 8 . 1 1 49 49 ASN C C 49 177.110 177.110 177.063 0.047 19750 2916 1 8 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.526 0.174 19750 2917 1 8 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.181 -0.100 19750 2918 1 8 . 1 1 49 49 ASN H H 49 8.085 8.085 7.993 0.092 19750 2919 1 8 . 1 1 50 50 ASN N N 50 118.690 118.690 120.096 -1.406 19750 2920 1 8 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.424 0.110 19750 2921 1 8 . 1 1 50 50 ASN C C 50 177.120 177.120 177.334 -0.214 19750 2922 1 8 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.480 -1.420 19750 2923 1 8 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.559 -0.879 19750 2924 1 8 . 1 1 50 50 ASN H H 50 8.020 8.020 8.054 -0.034 19750 2925 1 8 . 1 1 51 51 TYR N N 51 118.430 118.430 117.965 0.465 19750 2926 1 8 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.457 0.077 19750 2927 1 8 . 1 1 51 51 TYR C C 51 177.480 177.480 176.216 1.264 19750 2928 1 8 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.075 0.354 19750 2929 1 8 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.722 -1.012 19750 2930 1 8 . 1 1 51 51 TYR H H 51 8.106 8.106 7.729 0.377 19750 2931 1 8 . 1 1 52 52 THR N N 52 114.470 114.470 115.106 -0.636 19750 2932 1 8 . 1 1 52 52 THR HA H 52 3.943 3.943 4.280 -0.337 19750 2933 1 8 . 1 1 52 52 THR C C 52 176.970 176.970 176.067 0.903 19750 2934 1 8 . 1 1 52 52 THR CA C 52 66.220 66.220 65.398 0.822 19750 2935 1 8 . 1 1 52 52 THR CB C 52 67.580 67.580 69.103 -1.523 19750 2936 1 8 . 1 1 52 52 THR H H 52 8.247 8.247 7.964 0.283 19750 2937 1 8 . 1 1 53 53 SER N N 53 118.260 118.260 118.504 -0.244 19750 2938 1 8 . 1 1 53 53 SER HA H 53 4.338 4.338 4.468 -0.130 19750 2939 1 8 . 1 1 53 53 SER C C 53 176.990 176.990 175.887 1.103 19750 2940 1 8 . 1 1 53 53 SER CA C 53 61.300 61.300 61.025 0.275 19750 2941 1 8 . 1 1 53 53 SER CB C 53 62.020 62.020 63.061 -1.041 19750 2942 1 8 . 1 1 53 53 SER H H 53 8.064 8.064 7.757 0.307 19750 2943 1 8 . 1 1 54 54 LEU N N 54 123.950 123.950 122.622 1.328 19750 2944 1 8 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.078 0.172 19750 2945 1 8 . 1 1 54 54 LEU C C 54 179.060 179.060 177.410 1.650 19750 2946 1 8 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.769 -0.079 19750 2947 1 8 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.125 -1.135 19750 2948 1 8 . 1 1 54 54 LEU H H 54 7.631 7.631 7.382 0.249 19750 2949 1 8 . 1 1 55 55 ILE N N 55 118.770 118.770 116.097 2.673 19750 2950 1 8 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.889 -0.170 19750 2951 1 8 . 1 1 55 55 ILE C C 55 177.570 177.570 176.812 0.758 19750 2952 1 8 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.083 2.438 19750 2953 1 8 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.906 -1.446 19750 2954 1 8 . 1 1 55 55 ILE H H 55 8.051 8.051 7.517 0.534 19750 2955 1 8 . 1 1 56 56 HIS N N 56 117.770 117.770 120.472 -2.702 19750 2956 1 8 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.446 -0.191 19750 2957 1 8 . 1 1 56 56 HIS C C 56 176.790 176.790 177.125 -0.335 19750 2958 1 8 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.141 -0.051 19750 2959 1 8 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.732 -2.132 19750 2960 1 8 . 1 1 56 56 HIS H H 56 8.339 8.339 7.766 0.573 19750 2961 1 8 . 1 1 57 57 SER N N 57 115.350 115.350 115.329 0.021 19750 2962 1 8 . 1 1 57 57 SER HA H 57 4.245 4.245 4.260 -0.015 19750 2963 1 8 . 1 1 57 57 SER C C 57 175.990 175.990 175.983 0.007 19750 2964 1 8 . 1 1 57 57 SER CA C 57 61.580 61.580 61.064 0.516 19750 2965 1 8 . 1 1 57 57 SER CB C 57 62.280 62.280 62.832 -0.552 19750 2966 1 8 . 1 1 57 57 SER H H 57 8.137 8.137 7.872 0.265 19750 2967 1 8 . 1 1 58 58 LEU N N 58 122.540 122.540 123.192 -0.652 19750 2968 1 8 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.141 0.021 19750 2969 1 8 . 1 1 58 58 LEU C C 58 178.930 178.930 177.653 1.277 19750 2970 1 8 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.318 -0.028 19750 2971 1 8 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.118 -0.928 19750 2972 1 8 . 1 1 58 58 LEU H H 58 7.914 7.914 7.505 0.409 19750 2973 1 8 . 1 1 59 59 ILE N N 59 118.010 118.010 119.130 -1.120 19750 2974 1 8 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.643 0.146 19750 2975 1 8 . 1 1 59 59 ILE C C 59 178.120 178.120 177.959 0.161 19750 2976 1 8 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.486 -1.656 19750 2977 1 8 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.113 -0.963 19750 2978 1 8 . 1 1 59 59 ILE H H 59 7.921 7.921 7.472 0.449 19750 2979 1 8 . 1 1 60 60 GLU N N 60 119.640 119.640 119.606 0.034 19750 2980 1 8 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.746 0.388 19750 2981 1 8 . 1 1 60 60 GLU C C 60 177.950 177.950 177.790 0.160 19750 2982 1 8 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.605 -2.045 19750 2983 1 8 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.304 -1.594 19750 2984 1 8 . 1 1 60 60 GLU H H 60 7.925 7.925 7.705 0.220 19750 2985 1 8 . 1 1 61 61 GLU N N 61 118.990 118.990 116.733 2.257 19750 2986 1 8 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.071 0.174 19750 2987 1 8 . 1 1 61 61 GLU C C 61 177.450 177.450 178.057 -0.607 19750 2988 1 8 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.826 -1.726 19750 2989 1 8 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.858 -2.238 19750 2990 1 8 . 1 1 61 61 GLU H H 61 8.048 8.048 7.606 0.442 19750 2991 1 8 . 1 1 62 62 SER N N 62 115.260 115.260 114.603 0.657 19750 2992 1 8 . 1 1 62 62 SER HA H 62 4.324 4.324 4.219 0.105 19750 2993 1 8 . 1 1 62 62 SER C C 62 174.940 174.940 177.195 -2.255 19750 2994 1 8 . 1 1 62 62 SER CA C 62 59.620 59.620 60.883 -1.264 19750 2995 1 8 . 1 1 62 62 SER CB C 62 63.130 63.130 63.091 0.039 19750 2996 1 8 . 1 1 62 62 SER H H 62 7.893 7.893 7.609 0.284 19750 2997 1 8 . 1 1 63 63 GLN N N 63 120.400 120.400 121.243 -0.843 19750 2998 1 8 . 1 1 63 63 GLN C C 63 176.070 176.070 175.196 0.874 19750 2999 1 8 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.860 -0.070 19750 3000 1 8 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.049 1.651 19750 3001 1 8 . 1 1 63 63 GLN H H 63 7.824 7.824 8.144 -0.320 19750 3002 1 8 . 1 1 64 64 ASN N N 64 119.180 119.180 118.170 1.010 19750 3003 1 8 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.362 0.333 19750 3004 1 8 . 1 1 64 64 ASN C C 64 175.300 175.300 174.448 0.852 19750 3005 1 8 . 1 1 64 64 ASN CA C 64 53.280 53.280 54.619 -1.339 19750 3006 1 8 . 1 1 64 64 ASN CB C 64 38.340 38.340 38.722 -0.382 19750 3007 1 8 . 1 1 64 64 ASN H H 64 8.059 8.059 8.657 -0.598 19750 3008 1 8 . 1 1 65 65 GLN N N 65 120.740 120.740 123.634 -2.894 19750 3009 1 8 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.556 -0.235 19750 3010 1 8 . 1 1 65 65 GLN C C 65 175.890 175.890 174.868 1.022 19750 3011 1 8 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.528 0.172 19750 3012 1 8 . 1 1 65 65 GLN CB C 65 28.530 28.530 31.587 -3.057 19750 3013 1 8 . 1 1 65 65 GLN H H 65 8.144 8.144 8.284 -0.140 19750 3014 1 8 . 1 1 66 66 GLN N N 66 121.070 121.070 119.899 1.171 19750 3015 1 8 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.387 -0.067 19750 3016 1 8 . 1 1 66 66 GLN C C 66 175.840 175.840 174.847 0.993 19750 3017 1 8 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.264 -0.654 19750 3018 1 8 . 1 1 66 66 GLN CB C 66 28.670 28.670 29.802 -1.132 19750 3019 1 8 . 1 1 66 66 GLN H H 66 8.199 8.199 8.653 -0.454 19750 3020 1 8 . 1 1 67 67 GLU N N 67 122.320 122.320 121.436 0.884 19750 3021 1 8 . 1 1 67 67 GLU C C 67 175.200 175.200 175.346 -0.146 19750 3022 1 8 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.464 -0.814 19750 3023 1 8 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.274 -1.864 19750 3024 1 8 . 1 1 67 67 GLU H H 67 8.194 8.194 8.510 -0.316 19750 3025 1 9 . 1 1 2 2 GLY N N 2 110.890 110.890 111.408 -0.518 19750 3026 1 9 . 1 1 2 2 GLY C C 2 174.890 174.890 174.796 0.094 19750 3027 1 9 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.011 0.539 19750 3028 1 9 . 1 1 2 2 GLY H H 2 8.294 8.294 7.932 0.362 19750 3029 1 9 . 1 1 3 3 ILE N N 3 120.800 120.800 121.324 -0.524 19750 3030 1 9 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.650 0.382 19750 3031 1 9 . 1 1 3 3 ILE C C 3 176.740 176.740 177.737 -0.997 19750 3032 1 9 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.923 -1.683 19750 3033 1 9 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.207 -0.747 19750 3034 1 9 . 1 1 3 3 ILE H H 3 7.861 7.861 8.079 -0.218 19750 3035 1 9 . 1 1 4 4 VAL N N 4 121.090 121.090 118.116 2.974 19750 3036 1 9 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.771 0.112 19750 3037 1 9 . 1 1 4 4 VAL C C 4 176.990 176.990 177.588 -0.598 19750 3038 1 9 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.397 -1.777 19750 3039 1 9 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.480 -0.309 19750 3040 1 9 . 1 1 4 4 VAL H H 4 7.857 7.857 7.873 -0.016 19750 3041 1 9 . 1 1 5 5 GLN N N 5 121.380 121.380 120.236 1.144 19750 3042 1 9 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.899 0.336 19750 3043 1 9 . 1 1 5 5 GLN C C 5 176.960 176.960 178.030 -1.070 19750 3044 1 9 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.166 -2.416 19750 3045 1 9 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.190 0.060 19750 3046 1 9 . 1 1 5 5 GLN H H 5 8.051 8.051 8.400 -0.349 19750 3047 1 9 . 1 1 6 6 GLN N N 6 119.480 119.480 118.294 1.186 19750 3048 1 9 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.883 0.485 19750 3049 1 9 . 1 1 6 6 GLN C C 6 176.720 176.720 178.761 -2.041 19750 3050 1 9 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.941 -2.821 19750 3051 1 9 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.213 0.007 19750 3052 1 9 . 1 1 6 6 GLN H H 6 8.018 8.018 7.872 0.146 19750 3053 1 9 . 1 1 7 7 GLN N N 7 120.360 120.360 118.647 1.713 19750 3054 1 9 . 1 1 7 7 GLN HA H 7 4.189 4.189 3.978 0.211 19750 3055 1 9 . 1 1 7 7 GLN C C 7 176.180 176.180 178.715 -2.535 19750 3056 1 9 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.764 -1.914 19750 3057 1 9 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.321 -0.241 19750 3058 1 9 . 1 1 7 7 GLN H H 7 8.151 8.151 7.761 0.390 19750 3059 1 9 . 1 1 8 8 ASN N N 8 119.230 119.230 118.244 0.986 19750 3060 1 9 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.516 -0.064 19750 3061 1 9 . 1 1 8 8 ASN C C 8 176.300 176.300 177.753 -1.453 19750 3062 1 9 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.496 -0.696 19750 3063 1 9 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.051 0.149 19750 3064 1 9 . 1 1 8 8 ASN H H 8 8.256 8.256 8.500 -0.244 19750 3065 1 9 . 1 1 9 9 ASN N N 9 119.840 119.840 119.906 -0.066 19750 3066 1 9 . 1 1 9 9 ASN C C 9 177.150 177.150 177.590 -0.440 19750 3067 1 9 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.450 -0.510 19750 3068 1 9 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.165 -0.485 19750 3069 1 9 . 1 1 9 9 ASN H H 9 8.319 8.319 8.413 -0.094 19750 3070 1 9 . 1 1 10 10 LEU N N 10 122.900 122.900 121.409 1.491 19750 3071 1 9 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.050 0.084 19750 3072 1 9 . 1 1 10 10 LEU C C 10 178.050 178.050 178.297 -0.247 19750 3073 1 9 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.201 -0.511 19750 3074 1 9 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.092 -1.332 19750 3075 1 9 . 1 1 10 10 LEU H H 10 8.194 8.194 8.204 -0.010 19750 3076 1 9 . 1 1 11 11 LEU N N 11 118.800 118.800 117.104 1.696 19750 3077 1 9 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.066 -0.058 19750 3078 1 9 . 1 1 11 11 LEU C C 11 178.830 178.830 178.646 0.184 19750 3079 1 9 . 1 1 11 11 LEU CA C 11 57.670 57.670 56.855 0.815 19750 3080 1 9 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.890 -1.660 19750 3081 1 9 . 1 1 11 11 LEU H H 11 8.030 8.030 7.384 0.646 19750 3082 1 9 . 1 1 12 12 ARG N N 12 117.710 117.710 117.876 -0.166 19750 3083 1 9 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.250 -0.237 19750 3084 1 9 . 1 1 12 12 ARG C C 12 178.840 178.840 178.319 0.521 19750 3085 1 9 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.261 0.359 19750 3086 1 9 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.276 -1.226 19750 3087 1 9 . 1 1 12 12 ARG H H 12 7.845 7.845 7.546 0.299 19750 3088 1 9 . 1 1 13 13 ALA N N 13 121.870 121.870 122.853 -0.983 19750 3089 1 9 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.135 0.059 19750 3090 1 9 . 1 1 13 13 ALA C C 13 180.040 180.040 178.824 1.216 19750 3091 1 9 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.630 -0.150 19750 3092 1 9 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.255 -0.755 19750 3093 1 9 . 1 1 13 13 ALA H H 13 7.681 7.681 8.352 -0.671 19750 3094 1 9 . 1 1 14 14 ILE N N 14 118.010 118.010 118.092 -0.082 19750 3095 1 9 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.872 -0.139 19750 3096 1 9 . 1 1 14 14 ILE C C 14 177.760 177.760 177.978 -0.218 19750 3097 1 9 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.775 -0.436 19750 3098 1 9 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.360 -1.160 19750 3099 1 9 . 1 1 14 14 ILE H H 14 7.975 7.975 7.666 0.309 19750 3100 1 9 . 1 1 15 15 GLU N N 15 117.430 117.430 117.986 -0.556 19750 3101 1 9 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.430 -0.478 19750 3102 1 9 . 1 1 15 15 GLU C C 15 177.030 177.030 178.481 -1.451 19750 3103 1 9 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.789 -0.869 19750 3104 1 9 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.856 -2.436 19750 3105 1 9 . 1 1 15 15 GLU H H 15 8.110 8.110 8.286 -0.176 19750 3106 1 9 . 1 1 16 16 ALA N N 16 119.580 119.580 121.272 -1.692 19750 3107 1 9 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.267 0.076 19750 3108 1 9 . 1 1 16 16 ALA C C 16 178.570 178.570 176.822 1.748 19750 3109 1 9 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.893 -0.243 19750 3110 1 9 . 1 1 16 16 ALA CB C 16 18.080 18.080 16.858 1.222 19750 3111 1 9 . 1 1 16 16 ALA H H 16 7.457 7.457 7.952 -0.495 19750 3112 1 9 . 1 1 17 17 GLN N N 17 118.840 118.840 113.903 4.937 19750 3113 1 9 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.445 -0.014 19750 3114 1 9 . 1 1 17 17 GLN C C 17 176.160 176.160 176.296 -0.136 19750 3115 1 9 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.621 -0.991 19750 3116 1 9 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.204 -2.824 19750 3117 1 9 . 1 1 17 17 GLN H H 17 7.642 7.642 8.251 -0.609 19750 3118 1 9 . 1 1 18 18 GLN N N 18 120.730 120.730 120.940 -0.210 19750 3119 1 9 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.956 0.061 19750 3120 1 9 . 1 1 18 18 GLN C C 18 177.480 177.480 177.448 0.032 19750 3121 1 9 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.452 -1.162 19750 3122 1 9 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.734 -0.614 19750 3123 1 9 . 1 1 18 18 GLN H H 18 7.975 7.975 7.643 0.332 19750 3124 1 9 . 1 1 19 19 HIS N N 19 117.470 117.470 118.662 -1.192 19750 3125 1 9 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.385 0.289 19750 3126 1 9 . 1 1 19 19 HIS C C 19 176.330 176.330 177.477 -1.147 19750 3127 1 9 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.520 -2.560 19750 3128 1 9 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.529 -2.109 19750 3129 1 9 . 1 1 19 19 HIS H H 19 8.697 8.697 8.459 0.238 19750 3130 1 9 . 1 1 20 20 LEU N N 20 120.410 120.410 121.557 -1.147 19750 3131 1 9 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.141 -0.091 19750 3132 1 9 . 1 1 20 20 LEU C C 20 179.680 179.680 177.964 1.716 19750 3133 1 9 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.358 0.382 19750 3134 1 9 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.198 -0.368 19750 3135 1 9 . 1 1 20 20 LEU H H 20 8.026 8.026 8.260 -0.234 19750 3136 1 9 . 1 1 21 21 LEU N N 21 121.930 121.930 119.031 2.899 19750 3137 1 9 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.968 0.091 19750 3138 1 9 . 1 1 21 21 LEU C C 21 178.540 178.540 179.423 -0.883 19750 3139 1 9 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.535 -0.405 19750 3140 1 9 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.848 -0.718 19750 3141 1 9 . 1 1 21 21 LEU H H 21 8.433 8.433 7.582 0.851 19750 3142 1 9 . 1 1 22 22 GLN N N 22 118.540 118.540 117.888 0.652 19750 3143 1 9 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.189 -0.176 19750 3144 1 9 . 1 1 22 22 GLN C C 22 179.430 179.430 178.594 0.836 19750 3145 1 9 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.515 0.385 19750 3146 1 9 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.524 -1.054 19750 3147 1 9 . 1 1 22 22 GLN H H 22 8.087 8.087 7.561 0.526 19750 3148 1 9 . 1 1 23 23 LEU N N 23 120.750 120.750 120.706 0.044 19750 3149 1 9 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.078 0.153 19750 3150 1 9 . 1 1 23 23 LEU C C 23 178.420 178.420 178.945 -0.525 19750 3151 1 9 . 1 1 23 23 LEU CA C 23 57.630 57.630 57.896 -0.266 19750 3152 1 9 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.155 -0.865 19750 3153 1 9 . 1 1 23 23 LEU H H 23 8.013 8.013 8.728 -0.715 19750 3154 1 9 . 1 1 24 24 THR N N 24 116.790 116.790 115.233 1.557 19750 3155 1 9 . 1 1 24 24 THR C C 24 176.180 176.180 176.378 -0.198 19750 3156 1 9 . 1 1 24 24 THR H H 24 8.024 8.024 8.085 -0.061 19750 3157 1 9 . 1 1 25 25 VAL N N 25 121.130 121.130 121.624 -0.494 19750 3158 1 9 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.972 -0.397 19750 3159 1 9 . 1 1 25 25 VAL C C 25 177.600 177.600 177.500 0.100 19750 3160 1 9 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.022 0.798 19750 3161 1 9 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.701 -0.871 19750 3162 1 9 . 1 1 25 25 VAL H H 25 8.068 8.068 7.388 0.680 19750 3163 1 9 . 1 1 26 26 TRP N N 26 120.520 120.520 120.279 0.241 19750 3164 1 9 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.786 -0.606 19750 3165 1 9 . 1 1 26 26 TRP C C 26 178.700 178.700 178.386 0.314 19750 3166 1 9 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.348 1.082 19750 3167 1 9 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.083 -1.343 19750 3168 1 9 . 1 1 26 26 TRP H H 26 7.983 7.983 9.152 -1.169 19750 3169 1 9 . 1 1 27 27 GLY N N 27 107.880 107.880 107.448 0.432 19750 3170 1 9 . 1 1 27 27 GLY C C 27 174.990 174.990 175.713 -0.723 19750 3171 1 9 . 1 1 27 27 GLY CA C 27 47.240 47.240 46.842 0.398 19750 3172 1 9 . 1 1 27 27 GLY H H 27 8.846 8.846 8.245 0.601 19750 3173 1 9 . 1 1 28 28 ILE N N 28 122.330 122.330 117.063 5.267 19750 3174 1 9 . 1 1 28 28 ILE HA H 28 3.612 3.612 4.038 -0.426 19750 3175 1 9 . 1 1 28 28 ILE C C 28 178.030 178.030 177.145 0.885 19750 3176 1 9 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.672 1.188 19750 3177 1 9 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.590 -1.080 19750 3178 1 9 . 1 1 28 28 ILE H H 28 8.427 8.427 7.360 1.067 19750 3179 1 9 . 1 1 29 29 LYS N N 29 119.850 119.850 121.554 -1.704 19750 3180 1 9 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.955 0.067 19750 3181 1 9 . 1 1 29 29 LYS C C 29 180.050 180.050 178.651 1.399 19750 3182 1 9 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.282 -0.012 19750 3183 1 9 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.941 -1.261 19750 3184 1 9 . 1 1 29 29 LYS H H 29 7.993 7.993 7.607 0.386 19750 3185 1 9 . 1 1 30 30 GLN N N 30 118.870 118.870 118.011 0.859 19750 3186 1 9 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.044 -0.204 19750 3187 1 9 . 1 1 30 30 GLN C C 30 178.750 178.750 178.566 0.184 19750 3188 1 9 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.542 -1.382 19750 3189 1 9 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.401 -1.541 19750 3190 1 9 . 1 1 30 30 GLN H H 30 7.800 7.800 7.691 0.109 19750 3191 1 9 . 1 1 31 31 LEU N N 31 120.220 120.220 119.654 0.566 19750 3192 1 9 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.223 -0.257 19750 3193 1 9 . 1 1 31 31 LEU C C 31 179.300 179.300 178.970 0.330 19750 3194 1 9 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.690 -0.480 19750 3195 1 9 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.858 -1.198 19750 3196 1 9 . 1 1 31 31 LEU H H 31 7.873 7.873 7.461 0.412 19750 3197 1 9 . 1 1 32 32 GLN N N 32 118.830 118.830 120.051 -1.221 19750 3198 1 9 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.873 0.070 19750 3199 1 9 . 1 1 32 32 GLN C C 32 177.910 177.910 177.902 0.008 19750 3200 1 9 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.804 -0.584 19750 3201 1 9 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.683 -0.663 19750 3202 1 9 . 1 1 32 32 GLN H H 32 8.216 8.216 8.096 0.120 19750 3203 1 9 . 1 1 33 33 ALA N N 33 121.340 121.340 117.569 3.771 19750 3204 1 9 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.201 -0.016 19750 3205 1 9 . 1 1 33 33 ALA C C 33 179.050 179.050 178.258 0.792 19750 3206 1 9 . 1 1 33 33 ALA CA C 33 53.460 53.460 52.898 0.562 19750 3207 1 9 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.405 -0.685 19750 3208 1 9 . 1 1 33 33 ALA H H 33 7.647 7.647 7.643 0.004 19750 3209 1 9 . 1 1 34 34 ARG N N 34 117.580 117.580 118.428 -0.848 19750 3210 1 9 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.105 0.201 19750 3211 1 9 . 1 1 34 34 ARG C C 34 176.800 176.800 176.740 0.060 19750 3212 1 9 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.458 -1.228 19750 3213 1 9 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.406 -0.756 19750 3214 1 9 . 1 1 34 34 ARG H H 34 7.612 7.612 7.819 -0.207 19750 3215 1 9 . 1 1 35 35 SER N N 35 114.960 114.960 113.135 1.825 19750 3216 1 9 . 1 1 35 35 SER HA H 35 4.343 4.343 4.493 -0.150 19750 3217 1 9 . 1 1 35 35 SER C C 35 175.290 175.290 175.717 -0.427 19750 3218 1 9 . 1 1 35 35 SER CA C 35 58.930 58.930 57.870 1.060 19750 3219 1 9 . 1 1 35 35 SER CB C 35 63.370 63.370 64.658 -1.288 19750 3220 1 9 . 1 1 35 35 SER H H 35 7.827 7.827 7.475 0.352 19750 3221 1 9 . 1 1 36 36 GLY N N 36 110.340 110.340 109.963 0.377 19750 3222 1 9 . 1 1 36 36 GLY C C 36 174.840 174.840 174.134 0.706 19750 3223 1 9 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.169 1.171 19750 3224 1 9 . 1 1 36 36 GLY H H 36 8.132 8.132 8.630 -0.498 19750 3225 1 9 . 1 1 37 37 GLY N N 37 108.880 108.880 106.956 1.924 19750 3226 1 9 . 1 1 37 37 GLY C C 37 174.400 174.400 174.691 -0.291 19750 3227 1 9 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.488 0.482 19750 3228 1 9 . 1 1 37 37 GLY H H 37 8.190 8.190 7.428 0.762 19750 3229 1 9 . 1 1 38 38 ARG N N 38 120.630 120.630 121.840 -1.210 19750 3230 1 9 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.571 -0.256 19750 3231 1 9 . 1 1 38 38 ARG C C 38 176.900 176.900 176.025 0.875 19750 3232 1 9 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.723 0.327 19750 3233 1 9 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.201 -0.451 19750 3234 1 9 . 1 1 38 38 ARG H H 38 8.118 8.118 8.548 -0.430 19750 3235 1 9 . 1 1 39 39 GLY N N 39 109.360 109.360 108.779 0.581 19750 3236 1 9 . 1 1 39 39 GLY C C 39 174.690 174.690 173.864 0.826 19750 3237 1 9 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.715 0.405 19750 3238 1 9 . 1 1 39 39 GLY H H 39 8.374 8.374 8.191 0.183 19750 3239 1 9 . 1 1 40 40 GLY N N 40 109.060 109.060 107.785 1.275 19750 3240 1 9 . 1 1 40 40 GLY C C 40 174.680 174.680 174.074 0.606 19750 3241 1 9 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.832 0.248 19750 3242 1 9 . 1 1 40 40 GLY H H 40 7.995 7.995 8.430 -0.435 19750 3243 1 9 . 1 1 41 41 TRP N N 41 121.260 121.260 127.216 -5.956 19750 3244 1 9 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.770 -0.371 19750 3245 1 9 . 1 1 41 41 TRP C C 41 177.300 177.300 176.226 1.074 19750 3246 1 9 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.266 1.314 19750 3247 1 9 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.826 -2.136 19750 3248 1 9 . 1 1 41 41 TRP H H 41 8.176 8.176 8.965 -0.789 19750 3249 1 9 . 1 1 42 42 MET N N 42 118.570 118.570 120.349 -1.779 19750 3250 1 9 . 1 1 42 42 MET HA H 42 4.185 4.185 4.129 0.056 19750 3251 1 9 . 1 1 42 42 MET C C 42 177.930 177.930 178.318 -0.388 19750 3252 1 9 . 1 1 42 42 MET CA C 42 57.460 57.460 58.664 -1.204 19750 3253 1 9 . 1 1 42 42 MET CB C 42 30.920 30.920 32.279 -1.359 19750 3254 1 9 . 1 1 42 42 MET H H 42 8.120 8.120 8.302 -0.182 19750 3255 1 9 . 1 1 43 43 GLU N N 43 119.600 119.600 119.011 0.589 19750 3256 1 9 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.951 0.248 19750 3257 1 9 . 1 1 43 43 GLU C C 43 177.980 177.980 178.784 -0.804 19750 3258 1 9 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.051 -2.531 19750 3259 1 9 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.897 -1.337 19750 3260 1 9 . 1 1 43 43 GLU H H 43 7.834 7.834 8.798 -0.964 19750 3261 1 9 . 1 1 44 44 TRP N N 44 120.890 120.890 117.171 3.719 19750 3262 1 9 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.411 0.081 19750 3263 1 9 . 1 1 44 44 TRP C C 44 177.480 177.480 177.730 -0.250 19750 3264 1 9 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.880 0.080 19750 3265 1 9 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.503 -0.083 19750 3266 1 9 . 1 1 44 44 TRP H H 44 7.824 7.824 8.535 -0.711 19750 3267 1 9 . 1 1 45 45 ASP N N 45 118.210 118.210 117.888 0.322 19750 3268 1 9 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.637 -0.285 19750 3269 1 9 . 1 1 45 45 ASP C C 45 177.070 177.070 176.979 0.091 19750 3270 1 9 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.100 -0.150 19750 3271 1 9 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.641 -2.381 19750 3272 1 9 . 1 1 45 45 ASP H H 45 8.325 8.325 7.944 0.381 19750 3273 1 9 . 1 1 46 46 ARG N N 46 119.510 119.510 119.776 -0.266 19750 3274 1 9 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.367 -0.266 19750 3275 1 9 . 1 1 46 46 ARG C C 46 178.410 178.410 178.007 0.403 19750 3276 1 9 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.243 0.197 19750 3277 1 9 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.299 -2.109 19750 3278 1 9 . 1 1 46 46 ARG H H 46 7.860 7.860 8.130 -0.270 19750 3279 1 9 . 1 1 47 47 GLU N N 47 118.470 118.470 120.906 -2.436 19750 3280 1 9 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.176 0.111 19750 3281 1 9 . 1 1 47 47 GLU C C 47 178.170 178.170 178.635 -0.465 19750 3282 1 9 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.138 -1.328 19750 3283 1 9 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.508 -1.788 19750 3284 1 9 . 1 1 47 47 GLU H H 47 7.874 7.874 7.598 0.276 19750 3285 1 9 . 1 1 48 48 ILE N N 48 118.800 118.800 115.147 3.653 19750 3286 1 9 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.802 0.127 19750 3287 1 9 . 1 1 48 48 ILE C C 48 178.060 178.060 177.309 0.751 19750 3288 1 9 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.998 0.032 19750 3289 1 9 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.429 -0.439 19750 3290 1 9 . 1 1 48 48 ILE H H 48 8.199 8.199 7.597 0.602 19750 3291 1 9 . 1 1 49 49 ASN N N 49 119.580 119.580 118.961 0.619 19750 3292 1 9 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.680 -0.081 19750 3293 1 9 . 1 1 49 49 ASN C C 49 177.110 177.110 177.069 0.041 19750 3294 1 9 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.530 0.170 19750 3295 1 9 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.184 -0.104 19750 3296 1 9 . 1 1 49 49 ASN H H 49 8.085 8.085 7.999 0.086 19750 3297 1 9 . 1 1 50 50 ASN N N 50 118.690 118.690 120.102 -1.412 19750 3298 1 9 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.427 0.107 19750 3299 1 9 . 1 1 50 50 ASN C C 50 177.120 177.120 177.340 -0.220 19750 3300 1 9 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.486 -1.426 19750 3301 1 9 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.563 -0.883 19750 3302 1 9 . 1 1 50 50 ASN H H 50 8.020 8.020 8.061 -0.041 19750 3303 1 9 . 1 1 51 51 TYR N N 51 118.430 118.430 117.970 0.460 19750 3304 1 9 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.460 0.074 19750 3305 1 9 . 1 1 51 51 TYR C C 51 177.480 177.480 176.219 1.261 19750 3306 1 9 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.078 0.352 19750 3307 1 9 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.725 -1.015 19750 3308 1 9 . 1 1 51 51 TYR H H 51 8.106 8.106 7.735 0.371 19750 3309 1 9 . 1 1 52 52 THR N N 52 114.470 114.470 115.112 -0.642 19750 3310 1 9 . 1 1 52 52 THR HA H 52 3.943 3.943 4.282 -0.339 19750 3311 1 9 . 1 1 52 52 THR C C 52 176.970 176.970 176.071 0.899 19750 3312 1 9 . 1 1 52 52 THR CA C 52 66.220 66.220 65.399 0.821 19750 3313 1 9 . 1 1 52 52 THR CB C 52 67.580 67.580 69.104 -1.524 19750 3314 1 9 . 1 1 52 52 THR H H 52 8.247 8.247 7.968 0.279 19750 3315 1 9 . 1 1 53 53 SER N N 53 118.260 118.260 118.513 -0.253 19750 3316 1 9 . 1 1 53 53 SER HA H 53 4.338 4.338 4.472 -0.134 19750 3317 1 9 . 1 1 53 53 SER C C 53 176.990 176.990 175.890 1.100 19750 3318 1 9 . 1 1 53 53 SER CA C 53 61.300 61.300 61.030 0.270 19750 3319 1 9 . 1 1 53 53 SER CB C 53 62.020 62.020 63.061 -1.041 19750 3320 1 9 . 1 1 53 53 SER H H 53 8.064 8.064 7.761 0.303 19750 3321 1 9 . 1 1 54 54 LEU N N 54 123.950 123.950 122.700 1.250 19750 3322 1 9 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.078 0.172 19750 3323 1 9 . 1 1 54 54 LEU C C 54 179.060 179.060 177.473 1.587 19750 3324 1 9 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.798 -0.108 19750 3325 1 9 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.127 -1.137 19750 3326 1 9 . 1 1 54 54 LEU H H 54 7.631 7.631 7.391 0.240 19750 3327 1 9 . 1 1 55 55 ILE N N 55 118.770 118.770 116.130 2.640 19750 3328 1 9 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.872 -0.153 19750 3329 1 9 . 1 1 55 55 ILE C C 55 177.570 177.570 176.797 0.773 19750 3330 1 9 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.047 2.473 19750 3331 1 9 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.850 -1.390 19750 3332 1 9 . 1 1 55 55 ILE H H 55 8.051 8.051 7.515 0.536 19750 3333 1 9 . 1 1 56 56 HIS N N 56 117.770 117.770 120.321 -2.551 19750 3334 1 9 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.433 -0.178 19750 3335 1 9 . 1 1 56 56 HIS C C 56 176.790 176.790 177.180 -0.390 19750 3336 1 9 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.877 0.213 19750 3337 1 9 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.757 -2.157 19750 3338 1 9 . 1 1 56 56 HIS H H 56 8.339 8.339 7.728 0.611 19750 3339 1 9 . 1 1 57 57 SER N N 57 115.350 115.350 115.195 0.155 19750 3340 1 9 . 1 1 57 57 SER HA H 57 4.245 4.245 4.231 0.014 19750 3341 1 9 . 1 1 57 57 SER C C 57 175.990 175.990 175.964 0.026 19750 3342 1 9 . 1 1 57 57 SER CA C 57 61.580 61.580 61.935 -0.355 19750 3343 1 9 . 1 1 57 57 SER CB C 57 62.280 62.280 63.147 -0.867 19750 3344 1 9 . 1 1 57 57 SER H H 57 8.137 8.137 7.862 0.275 19750 3345 1 9 . 1 1 58 58 LEU N N 58 122.540 122.540 122.790 -0.250 19750 3346 1 9 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.138 0.024 19750 3347 1 9 . 1 1 58 58 LEU C C 58 178.930 178.930 177.952 0.978 19750 3348 1 9 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.245 0.045 19750 3349 1 9 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.048 -0.858 19750 3350 1 9 . 1 1 58 58 LEU H H 58 7.914 7.914 7.594 0.320 19750 3351 1 9 . 1 1 59 59 ILE N N 59 118.010 118.010 118.426 -0.416 19750 3352 1 9 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.719 0.070 19750 3353 1 9 . 1 1 59 59 ILE C C 59 178.120 178.120 177.396 0.724 19750 3354 1 9 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.206 -1.376 19750 3355 1 9 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.247 -1.097 19750 3356 1 9 . 1 1 59 59 ILE H H 59 7.921 7.921 7.280 0.641 19750 3357 1 9 . 1 1 60 60 GLU N N 60 119.640 119.640 119.921 -0.281 19750 3358 1 9 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.864 0.270 19750 3359 1 9 . 1 1 60 60 GLU C C 60 177.950 177.950 177.770 0.180 19750 3360 1 9 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.175 -1.615 19750 3361 1 9 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.566 -1.855 19750 3362 1 9 . 1 1 60 60 GLU H H 60 7.925 7.925 7.821 0.104 19750 3363 1 9 . 1 1 61 61 GLU N N 61 118.990 118.990 116.679 2.311 19750 3364 1 9 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.245 -0.000 19750 3365 1 9 . 1 1 61 61 GLU C C 61 177.450 177.450 177.629 -0.179 19750 3366 1 9 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.034 -0.934 19750 3367 1 9 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.838 -2.218 19750 3368 1 9 . 1 1 61 61 GLU H H 61 8.048 8.048 7.738 0.310 19750 3369 1 9 . 1 1 62 62 SER N N 62 115.260 115.260 114.766 0.494 19750 3370 1 9 . 1 1 62 62 SER HA H 62 4.324 4.324 4.481 -0.157 19750 3371 1 9 . 1 1 62 62 SER C C 62 174.940 174.940 174.670 0.270 19750 3372 1 9 . 1 1 62 62 SER CA C 62 59.620 59.620 60.141 -0.520 19750 3373 1 9 . 1 1 62 62 SER CB C 62 63.130 63.130 63.900 -0.770 19750 3374 1 9 . 1 1 62 62 SER H H 62 7.893 7.893 7.558 0.335 19750 3375 1 9 . 1 1 63 63 GLN N N 63 120.400 120.400 121.624 -1.224 19750 3376 1 9 . 1 1 63 63 GLN C C 63 176.070 176.070 174.970 1.100 19750 3377 1 9 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.126 0.664 19750 3378 1 9 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.820 0.880 19750 3379 1 9 . 1 1 63 63 GLN H H 63 7.824 7.824 8.104 -0.281 19750 3380 1 9 . 1 1 64 64 ASN N N 64 119.180 119.180 122.969 -3.789 19750 3381 1 9 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.824 -0.129 19750 3382 1 9 . 1 1 64 64 ASN C C 64 175.300 175.300 175.032 0.268 19750 3383 1 9 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.895 0.385 19750 3384 1 9 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.884 -1.544 19750 3385 1 9 . 1 1 64 64 ASN H H 64 8.059 8.059 8.142 -0.083 19750 3386 1 9 . 1 1 65 65 GLN N N 65 120.740 120.740 122.176 -1.436 19750 3387 1 9 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.618 -0.298 19750 3388 1 9 . 1 1 65 65 GLN C C 65 175.890 175.890 174.787 1.103 19750 3389 1 9 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.397 0.303 19750 3390 1 9 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.333 -1.803 19750 3391 1 9 . 1 1 65 65 GLN H H 65 8.144 8.144 8.537 -0.393 19750 3392 1 9 . 1 1 66 66 GLN N N 66 121.070 121.070 122.655 -1.585 19750 3393 1 9 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.400 -0.080 19750 3394 1 9 . 1 1 66 66 GLN C C 66 175.840 175.840 175.309 0.531 19750 3395 1 9 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.166 -0.556 19750 3396 1 9 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.380 -1.710 19750 3397 1 9 . 1 1 66 66 GLN H H 66 8.199 8.199 8.723 -0.524 19750 3398 1 9 . 1 1 67 67 GLU N N 67 122.320 122.320 121.290 1.030 19750 3399 1 9 . 1 1 67 67 GLU C C 67 175.200 175.200 175.307 -0.107 19750 3400 1 9 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.474 -0.824 19750 3401 1 9 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.224 -1.814 19750 3402 1 9 . 1 1 67 67 GLU H H 67 8.194 8.194 8.476 -0.282 19750 3403 1 10 . 1 1 2 2 GLY N N 2 110.890 110.890 111.588 -0.698 19750 3404 1 10 . 1 1 2 2 GLY C C 2 174.890 174.890 174.470 0.420 19750 3405 1 10 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.008 0.542 19750 3406 1 10 . 1 1 2 2 GLY H H 2 8.294 8.294 7.912 0.382 19750 3407 1 10 . 1 1 3 3 ILE N N 3 120.800 120.800 120.833 -0.033 19750 3408 1 10 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.845 0.187 19750 3409 1 10 . 1 1 3 3 ILE C C 3 176.740 176.740 177.503 -0.763 19750 3410 1 10 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.930 -0.690 19750 3411 1 10 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.473 -1.013 19750 3412 1 10 . 1 1 3 3 ILE H H 3 7.861 7.861 8.204 -0.343 19750 3413 1 10 . 1 1 4 4 VAL N N 4 121.090 121.090 119.871 1.219 19750 3414 1 10 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.839 0.044 19750 3415 1 10 . 1 1 4 4 VAL C C 4 176.990 176.990 177.578 -0.588 19750 3416 1 10 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.616 -1.996 19750 3417 1 10 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.696 -0.526 19750 3418 1 10 . 1 1 4 4 VAL H H 4 7.857 7.857 7.746 0.111 19750 3419 1 10 . 1 1 5 5 GLN N N 5 121.380 121.380 119.798 1.582 19750 3420 1 10 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.894 0.341 19750 3421 1 10 . 1 1 5 5 GLN C C 5 176.960 176.960 178.006 -1.046 19750 3422 1 10 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.606 -2.856 19750 3423 1 10 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.121 0.129 19750 3424 1 10 . 1 1 5 5 GLN H H 5 8.051 8.051 8.652 -0.601 19750 3425 1 10 . 1 1 6 6 GLN N N 6 119.480 119.480 117.931 1.549 19750 3426 1 10 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.901 0.467 19750 3427 1 10 . 1 1 6 6 GLN C C 6 176.720 176.720 178.613 -1.893 19750 3428 1 10 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.965 -2.845 19750 3429 1 10 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.339 -0.119 19750 3430 1 10 . 1 1 6 6 GLN H H 6 8.018 8.018 7.722 0.296 19750 3431 1 10 . 1 1 7 7 GLN N N 7 120.360 120.360 118.582 1.778 19750 3432 1 10 . 1 1 7 7 GLN HA H 7 4.189 4.189 3.976 0.213 19750 3433 1 10 . 1 1 7 7 GLN C C 7 176.180 176.180 178.622 -2.442 19750 3434 1 10 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.827 -1.977 19750 3435 1 10 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.330 -0.250 19750 3436 1 10 . 1 1 7 7 GLN H H 7 8.151 8.151 7.796 0.355 19750 3437 1 10 . 1 1 8 8 ASN N N 8 119.230 119.230 119.051 0.179 19750 3438 1 10 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.413 0.039 19750 3439 1 10 . 1 1 8 8 ASN C C 8 176.300 176.300 177.944 -1.644 19750 3440 1 10 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.886 -1.086 19750 3441 1 10 . 1 1 8 8 ASN CB C 8 38.200 38.200 37.943 0.257 19750 3442 1 10 . 1 1 8 8 ASN H H 8 8.256 8.256 8.660 -0.404 19750 3443 1 10 . 1 1 9 9 ASN N N 9 119.840 119.840 119.501 0.339 19750 3444 1 10 . 1 1 9 9 ASN C C 9 177.150 177.150 177.694 -0.544 19750 3445 1 10 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.651 -0.711 19750 3446 1 10 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.155 -0.475 19750 3447 1 10 . 1 1 9 9 ASN H H 9 8.319 8.319 8.767 -0.448 19750 3448 1 10 . 1 1 10 10 LEU N N 10 122.900 122.900 122.249 0.651 19750 3449 1 10 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.019 0.115 19750 3450 1 10 . 1 1 10 10 LEU C C 10 178.050 178.050 178.307 -0.257 19750 3451 1 10 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.337 -0.647 19750 3452 1 10 . 1 1 10 10 LEU CB C 10 40.760 40.760 41.988 -1.228 19750 3453 1 10 . 1 1 10 10 LEU H H 10 8.194 8.194 8.016 0.178 19750 3454 1 10 . 1 1 11 11 LEU N N 11 118.800 118.800 117.918 0.882 19750 3455 1 10 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.955 0.053 19750 3456 1 10 . 1 1 11 11 LEU C C 11 178.830 178.830 178.967 -0.137 19750 3457 1 10 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.458 0.212 19750 3458 1 10 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.939 -1.709 19750 3459 1 10 . 1 1 11 11 LEU H H 11 8.030 8.030 7.449 0.581 19750 3460 1 10 . 1 1 12 12 ARG N N 12 117.710 117.710 118.465 -0.755 19750 3461 1 10 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.073 -0.060 19750 3462 1 10 . 1 1 12 12 ARG C C 12 178.840 178.840 178.649 0.191 19750 3463 1 10 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.899 -0.279 19750 3464 1 10 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.284 -1.234 19750 3465 1 10 . 1 1 12 12 ARG H H 12 7.845 7.845 7.579 0.266 19750 3466 1 10 . 1 1 13 13 ALA N N 13 121.870 121.870 122.440 -0.570 19750 3467 1 10 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.059 0.135 19750 3468 1 10 . 1 1 13 13 ALA C C 13 180.040 180.040 179.181 0.859 19750 3469 1 10 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.925 -0.445 19750 3470 1 10 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.274 -0.774 19750 3471 1 10 . 1 1 13 13 ALA H H 13 7.681 7.681 8.543 -0.862 19750 3472 1 10 . 1 1 14 14 ILE N N 14 118.010 118.010 118.781 -0.771 19750 3473 1 10 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.680 0.053 19750 3474 1 10 . 1 1 14 14 ILE C C 14 177.760 177.760 178.569 -0.809 19750 3475 1 10 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.298 -0.958 19750 3476 1 10 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.105 -0.905 19750 3477 1 10 . 1 1 14 14 ILE H H 14 7.975 7.975 7.556 0.419 19750 3478 1 10 . 1 1 15 15 GLU N N 15 117.430 117.430 118.937 -1.507 19750 3479 1 10 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.379 -0.427 19750 3480 1 10 . 1 1 15 15 GLU C C 15 177.030 177.030 178.002 -0.972 19750 3481 1 10 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.975 -1.055 19750 3482 1 10 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.401 -1.981 19750 3483 1 10 . 1 1 15 15 GLU H H 15 8.110 8.110 7.931 0.179 19750 3484 1 10 . 1 1 16 16 ALA N N 16 119.580 119.580 119.787 -0.207 19750 3485 1 10 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.318 0.025 19750 3486 1 10 . 1 1 16 16 ALA C C 16 178.570 178.570 177.012 1.558 19750 3487 1 10 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.968 -0.318 19750 3488 1 10 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.490 0.590 19750 3489 1 10 . 1 1 16 16 ALA H H 16 7.457 7.457 7.791 -0.334 19750 3490 1 10 . 1 1 17 17 GLN N N 17 118.840 118.840 113.785 5.055 19750 3491 1 10 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.458 -0.027 19750 3492 1 10 . 1 1 17 17 GLN C C 17 176.160 176.160 176.359 -0.199 19750 3493 1 10 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.489 -0.858 19750 3494 1 10 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.210 -2.830 19750 3495 1 10 . 1 1 17 17 GLN H H 17 7.642 7.642 7.500 0.142 19750 3496 1 10 . 1 1 18 18 GLN N N 18 120.730 120.730 120.914 -0.184 19750 3497 1 10 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.956 0.061 19750 3498 1 10 . 1 1 18 18 GLN C C 18 177.480 177.480 177.520 -0.040 19750 3499 1 10 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.411 -1.121 19750 3500 1 10 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.701 -0.581 19750 3501 1 10 . 1 1 18 18 GLN H H 18 7.975 7.975 7.556 0.419 19750 3502 1 10 . 1 1 19 19 HIS N N 19 117.470 117.470 118.711 -1.241 19750 3503 1 10 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.384 0.290 19750 3504 1 10 . 1 1 19 19 HIS C C 19 176.330 176.330 177.515 -1.185 19750 3505 1 10 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.608 -2.648 19750 3506 1 10 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.483 -2.063 19750 3507 1 10 . 1 1 19 19 HIS H H 19 8.697 8.697 8.438 0.259 19750 3508 1 10 . 1 1 20 20 LEU N N 20 120.410 120.410 122.116 -1.706 19750 3509 1 10 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.140 -0.090 19750 3510 1 10 . 1 1 20 20 LEU C C 20 179.680 179.680 178.314 1.366 19750 3511 1 10 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.650 0.090 19750 3512 1 10 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.218 -0.388 19750 3513 1 10 . 1 1 20 20 LEU H H 20 8.026 8.026 8.376 -0.350 19750 3514 1 10 . 1 1 21 21 LEU N N 21 121.930 121.930 119.162 2.768 19750 3515 1 10 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.949 0.110 19750 3516 1 10 . 1 1 21 21 LEU C C 21 178.540 178.540 179.369 -0.829 19750 3517 1 10 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.660 -0.530 19750 3518 1 10 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.777 -0.647 19750 3519 1 10 . 1 1 21 21 LEU H H 21 8.433 8.433 7.628 0.805 19750 3520 1 10 . 1 1 22 22 GLN N N 22 118.540 118.540 117.942 0.598 19750 3521 1 10 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.177 -0.164 19750 3522 1 10 . 1 1 22 22 GLN C C 22 179.430 179.430 178.633 0.797 19750 3523 1 10 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.656 0.244 19750 3524 1 10 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.540 -1.069 19750 3525 1 10 . 1 1 22 22 GLN H H 22 8.087 8.087 7.560 0.527 19750 3526 1 10 . 1 1 23 23 LEU N N 23 120.750 120.750 121.269 -0.519 19750 3527 1 10 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.962 0.269 19750 3528 1 10 . 1 1 23 23 LEU C C 23 178.420 178.420 178.791 -0.371 19750 3529 1 10 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.311 -0.681 19750 3530 1 10 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.105 -0.815 19750 3531 1 10 . 1 1 23 23 LEU H H 23 8.013 8.013 8.628 -0.615 19750 3532 1 10 . 1 1 24 24 THR N N 24 116.790 116.790 115.514 1.276 19750 3533 1 10 . 1 1 24 24 THR C C 24 176.180 176.180 176.741 -0.561 19750 3534 1 10 . 1 1 24 24 THR H H 24 8.024 8.024 8.533 -0.509 19750 3535 1 10 . 1 1 25 25 VAL N N 25 121.130 121.130 121.137 -0.007 19750 3536 1 10 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.847 -0.272 19750 3537 1 10 . 1 1 25 25 VAL C C 25 177.600 177.600 178.080 -0.480 19750 3538 1 10 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.424 0.396 19750 3539 1 10 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.540 -0.710 19750 3540 1 10 . 1 1 25 25 VAL H H 25 8.068 8.068 7.446 0.622 19750 3541 1 10 . 1 1 26 26 TRP N N 26 120.520 120.520 120.283 0.237 19750 3542 1 10 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.654 -0.474 19750 3543 1 10 . 1 1 26 26 TRP C C 26 178.700 178.700 178.736 -0.036 19750 3544 1 10 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.698 0.732 19750 3545 1 10 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.871 -1.131 19750 3546 1 10 . 1 1 26 26 TRP H H 26 7.983 7.983 8.819 -0.836 19750 3547 1 10 . 1 1 27 27 GLY N N 27 107.880 107.880 108.892 -1.012 19750 3548 1 10 . 1 1 27 27 GLY C C 27 174.990 174.990 175.734 -0.744 19750 3549 1 10 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.183 0.057 19750 3550 1 10 . 1 1 27 27 GLY H H 27 8.846 8.846 8.758 0.088 19750 3551 1 10 . 1 1 28 28 ILE N N 28 122.330 122.330 118.277 4.053 19750 3552 1 10 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.851 -0.239 19750 3553 1 10 . 1 1 28 28 ILE C C 28 178.030 178.030 177.369 0.661 19750 3554 1 10 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.301 0.559 19750 3555 1 10 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.450 -0.940 19750 3556 1 10 . 1 1 28 28 ILE H H 28 8.427 8.427 7.945 0.482 19750 3557 1 10 . 1 1 29 29 LYS N N 29 119.850 119.850 120.806 -0.956 19750 3558 1 10 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.943 0.079 19750 3559 1 10 . 1 1 29 29 LYS C C 29 180.050 180.050 178.978 1.072 19750 3560 1 10 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.181 0.090 19750 3561 1 10 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.936 -1.256 19750 3562 1 10 . 1 1 29 29 LYS H H 29 7.993 7.993 7.463 0.530 19750 3563 1 10 . 1 1 30 30 GLN N N 30 118.870 118.870 118.683 0.187 19750 3564 1 10 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.085 -0.245 19750 3565 1 10 . 1 1 30 30 GLN C C 30 178.750 178.750 178.761 -0.011 19750 3566 1 10 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.332 -1.172 19750 3567 1 10 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.602 -1.742 19750 3568 1 10 . 1 1 30 30 GLN H H 30 7.800 7.800 7.639 0.161 19750 3569 1 10 . 1 1 31 31 LEU N N 31 120.220 120.220 121.088 -0.868 19750 3570 1 10 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.015 -0.049 19750 3571 1 10 . 1 1 31 31 LEU C C 31 179.300 179.300 178.753 0.547 19750 3572 1 10 . 1 1 31 31 LEU CA C 31 57.210 57.210 58.042 -0.832 19750 3573 1 10 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.645 -0.985 19750 3574 1 10 . 1 1 31 31 LEU H H 31 7.873 7.873 8.315 -0.442 19750 3575 1 10 . 1 1 32 32 GLN N N 32 118.830 118.830 119.085 -0.255 19750 3576 1 10 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.863 0.080 19750 3577 1 10 . 1 1 32 32 GLN C C 32 177.910 177.910 178.233 -0.323 19750 3578 1 10 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.935 -0.716 19750 3579 1 10 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.431 -0.411 19750 3580 1 10 . 1 1 32 32 GLN H H 32 8.216 8.216 7.776 0.440 19750 3581 1 10 . 1 1 33 33 ALA N N 33 121.340 121.340 119.266 2.074 19750 3582 1 10 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.096 0.089 19750 3583 1 10 . 1 1 33 33 ALA C C 33 179.050 179.050 177.955 1.095 19750 3584 1 10 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.613 -0.153 19750 3585 1 10 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.327 -0.607 19750 3586 1 10 . 1 1 33 33 ALA H H 33 7.647 7.647 7.532 0.115 19750 3587 1 10 . 1 1 34 34 ARG N N 34 117.580 117.580 117.844 -0.264 19750 3588 1 10 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.210 0.096 19750 3589 1 10 . 1 1 34 34 ARG C C 34 176.800 176.800 176.529 0.271 19750 3590 1 10 . 1 1 34 34 ARG CA C 34 56.230 56.230 56.767 -0.537 19750 3591 1 10 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.835 -1.185 19750 3592 1 10 . 1 1 34 34 ARG H H 34 7.612 7.612 8.147 -0.535 19750 3593 1 10 . 1 1 35 35 SER N N 35 114.960 114.960 114.199 0.761 19750 3594 1 10 . 1 1 35 35 SER HA H 35 4.343 4.343 4.538 -0.195 19750 3595 1 10 . 1 1 35 35 SER C C 35 175.290 175.290 175.935 -0.645 19750 3596 1 10 . 1 1 35 35 SER CA C 35 58.930 58.930 57.935 0.995 19750 3597 1 10 . 1 1 35 35 SER CB C 35 63.370 63.370 64.617 -1.247 19750 3598 1 10 . 1 1 35 35 SER H H 35 7.827 7.827 7.714 0.113 19750 3599 1 10 . 1 1 36 36 GLY N N 36 110.340 110.340 111.028 -0.688 19750 3600 1 10 . 1 1 36 36 GLY C C 36 174.840 174.840 174.029 0.811 19750 3601 1 10 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.194 1.146 19750 3602 1 10 . 1 1 36 36 GLY H H 36 8.132 8.132 8.704 -0.572 19750 3603 1 10 . 1 1 37 37 GLY N N 37 108.880 108.880 106.860 2.020 19750 3604 1 10 . 1 1 37 37 GLY C C 37 174.400 174.400 174.694 -0.294 19750 3605 1 10 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.490 0.480 19750 3606 1 10 . 1 1 37 37 GLY H H 37 8.190 8.190 7.450 0.740 19750 3607 1 10 . 1 1 38 38 ARG N N 38 120.630 120.630 121.902 -1.272 19750 3608 1 10 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.511 -0.196 19750 3609 1 10 . 1 1 38 38 ARG C C 38 176.900 176.900 175.984 0.916 19750 3610 1 10 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.697 0.353 19750 3611 1 10 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.649 0.101 19750 3612 1 10 . 1 1 38 38 ARG H H 38 8.118 8.118 8.422 -0.304 19750 3613 1 10 . 1 1 39 39 GLY N N 39 109.360 109.360 108.496 0.864 19750 3614 1 10 . 1 1 39 39 GLY C C 39 174.690 174.690 173.955 0.735 19750 3615 1 10 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.577 0.543 19750 3616 1 10 . 1 1 39 39 GLY H H 39 8.374 8.374 8.090 0.284 19750 3617 1 10 . 1 1 40 40 GLY N N 40 109.060 109.060 107.736 1.324 19750 3618 1 10 . 1 1 40 40 GLY C C 40 174.680 174.680 174.030 0.650 19750 3619 1 10 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.789 0.291 19750 3620 1 10 . 1 1 40 40 GLY H H 40 7.995 7.995 8.422 -0.427 19750 3621 1 10 . 1 1 41 41 TRP N N 41 121.260 121.260 127.166 -5.906 19750 3622 1 10 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.748 -0.349 19750 3623 1 10 . 1 1 41 41 TRP C C 41 177.300 177.300 176.277 1.023 19750 3624 1 10 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.335 1.245 19750 3625 1 10 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.813 -2.123 19750 3626 1 10 . 1 1 41 41 TRP H H 41 8.176 8.176 8.953 -0.777 19750 3627 1 10 . 1 1 42 42 MET N N 42 118.570 118.570 120.225 -1.655 19750 3628 1 10 . 1 1 42 42 MET HA H 42 4.185 4.185 4.114 0.071 19750 3629 1 10 . 1 1 42 42 MET C C 42 177.930 177.930 178.351 -0.421 19750 3630 1 10 . 1 1 42 42 MET CA C 42 57.460 57.460 58.840 -1.381 19750 3631 1 10 . 1 1 42 42 MET CB C 42 30.920 30.920 32.311 -1.391 19750 3632 1 10 . 1 1 42 42 MET H H 42 8.120 8.120 8.309 -0.189 19750 3633 1 10 . 1 1 43 43 GLU N N 43 119.600 119.600 118.998 0.602 19750 3634 1 10 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.972 0.227 19750 3635 1 10 . 1 1 43 43 GLU C C 43 177.980 177.980 178.715 -0.735 19750 3636 1 10 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.044 -2.523 19750 3637 1 10 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.990 -1.430 19750 3638 1 10 . 1 1 43 43 GLU H H 43 7.834 7.834 8.751 -0.917 19750 3639 1 10 . 1 1 44 44 TRP N N 44 120.890 120.890 117.261 3.629 19750 3640 1 10 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.398 0.094 19750 3641 1 10 . 1 1 44 44 TRP C C 44 177.480 177.480 177.736 -0.256 19750 3642 1 10 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.061 -0.101 19750 3643 1 10 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.547 -0.127 19750 3644 1 10 . 1 1 44 44 TRP H H 44 7.824 7.824 8.589 -0.765 19750 3645 1 10 . 1 1 45 45 ASP N N 45 118.210 118.210 117.768 0.442 19750 3646 1 10 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.644 -0.292 19750 3647 1 10 . 1 1 45 45 ASP C C 45 177.070 177.070 176.971 0.099 19750 3648 1 10 . 1 1 45 45 ASP CA C 45 55.950 55.950 55.986 -0.036 19750 3649 1 10 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.645 -2.385 19750 3650 1 10 . 1 1 45 45 ASP H H 45 8.325 8.325 7.839 0.486 19750 3651 1 10 . 1 1 46 46 ARG N N 46 119.510 119.510 119.787 -0.277 19750 3652 1 10 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.363 -0.262 19750 3653 1 10 . 1 1 46 46 ARG C C 46 178.410 178.410 177.972 0.438 19750 3654 1 10 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.258 0.182 19750 3655 1 10 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.255 -2.065 19750 3656 1 10 . 1 1 46 46 ARG H H 46 7.860 7.860 8.284 -0.424 19750 3657 1 10 . 1 1 47 47 GLU N N 47 118.470 118.470 120.908 -2.438 19750 3658 1 10 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.166 0.121 19750 3659 1 10 . 1 1 47 47 GLU C C 47 178.170 178.170 178.628 -0.458 19750 3660 1 10 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.118 -1.308 19750 3661 1 10 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.464 -1.744 19750 3662 1 10 . 1 1 47 47 GLU H H 47 7.874 7.874 7.692 0.182 19750 3663 1 10 . 1 1 48 48 ILE N N 48 118.800 118.800 115.119 3.681 19750 3664 1 10 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.794 0.135 19750 3665 1 10 . 1 1 48 48 ILE C C 48 178.060 178.060 177.305 0.755 19750 3666 1 10 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.995 0.035 19750 3667 1 10 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.428 -0.438 19750 3668 1 10 . 1 1 48 48 ILE H H 48 8.199 8.199 7.581 0.618 19750 3669 1 10 . 1 1 49 49 ASN N N 49 119.580 119.580 118.958 0.622 19750 3670 1 10 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.676 -0.077 19750 3671 1 10 . 1 1 49 49 ASN C C 49 177.110 177.110 177.063 0.047 19750 3672 1 10 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.526 0.174 19750 3673 1 10 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.181 -0.101 19750 3674 1 10 . 1 1 49 49 ASN H H 49 8.085 8.085 7.994 0.091 19750 3675 1 10 . 1 1 50 50 ASN N N 50 118.690 118.690 120.100 -1.410 19750 3676 1 10 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.422 0.112 19750 3677 1 10 . 1 1 50 50 ASN C C 50 177.120 177.120 177.337 -0.217 19750 3678 1 10 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.482 -1.422 19750 3679 1 10 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.556 -0.876 19750 3680 1 10 . 1 1 50 50 ASN H H 50 8.020 8.020 8.056 -0.036 19750 3681 1 10 . 1 1 51 51 TYR N N 51 118.430 118.430 117.962 0.468 19750 3682 1 10 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.456 0.078 19750 3683 1 10 . 1 1 51 51 TYR C C 51 177.480 177.480 176.217 1.263 19750 3684 1 10 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.076 0.354 19750 3685 1 10 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.722 -1.012 19750 3686 1 10 . 1 1 51 51 TYR H H 51 8.106 8.106 7.729 0.377 19750 3687 1 10 . 1 1 52 52 THR N N 52 114.470 114.470 115.104 -0.634 19750 3688 1 10 . 1 1 52 52 THR HA H 52 3.943 3.943 4.280 -0.337 19750 3689 1 10 . 1 1 52 52 THR C C 52 176.970 176.970 176.064 0.906 19750 3690 1 10 . 1 1 52 52 THR CA C 52 66.220 66.220 65.397 0.823 19750 3691 1 10 . 1 1 52 52 THR CB C 52 67.580 67.580 69.100 -1.520 19750 3692 1 10 . 1 1 52 52 THR H H 52 8.247 8.247 7.963 0.284 19750 3693 1 10 . 1 1 53 53 SER N N 53 118.260 118.260 118.494 -0.234 19750 3694 1 10 . 1 1 53 53 SER HA H 53 4.338 4.338 4.462 -0.124 19750 3695 1 10 . 1 1 53 53 SER C C 53 176.990 176.990 175.878 1.112 19750 3696 1 10 . 1 1 53 53 SER CA C 53 61.300 61.300 61.005 0.295 19750 3697 1 10 . 1 1 53 53 SER CB C 53 62.020 62.020 63.072 -1.052 19750 3698 1 10 . 1 1 53 53 SER H H 53 8.064 8.064 7.753 0.311 19750 3699 1 10 . 1 1 54 54 LEU N N 54 123.950 123.950 122.551 1.399 19750 3700 1 10 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.079 0.171 19750 3701 1 10 . 1 1 54 54 LEU C C 54 179.060 179.060 177.363 1.697 19750 3702 1 10 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.735 -0.045 19750 3703 1 10 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.123 -1.133 19750 3704 1 10 . 1 1 54 54 LEU H H 54 7.631 7.631 7.374 0.257 19750 3705 1 10 . 1 1 55 55 ILE N N 55 118.770 118.770 116.089 2.681 19750 3706 1 10 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.898 -0.179 19750 3707 1 10 . 1 1 55 55 ILE C C 55 177.570 177.570 176.839 0.731 19750 3708 1 10 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.047 2.474 19750 3709 1 10 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.941 -1.481 19750 3710 1 10 . 1 1 55 55 ILE H H 55 8.051 8.051 7.513 0.538 19750 3711 1 10 . 1 1 56 56 HIS N N 56 117.770 117.770 120.505 -2.735 19750 3712 1 10 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.431 -0.176 19750 3713 1 10 . 1 1 56 56 HIS C C 56 176.790 176.790 177.142 -0.352 19750 3714 1 10 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.201 -0.111 19750 3715 1 10 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.727 -2.127 19750 3716 1 10 . 1 1 56 56 HIS H H 56 8.339 8.339 7.762 0.577 19750 3717 1 10 . 1 1 57 57 SER N N 57 115.350 115.350 115.049 0.301 19750 3718 1 10 . 1 1 57 57 SER HA H 57 4.245 4.245 4.278 -0.033 19750 3719 1 10 . 1 1 57 57 SER C C 57 175.990 175.990 175.976 0.014 19750 3720 1 10 . 1 1 57 57 SER CA C 57 61.580 61.580 61.033 0.547 19750 3721 1 10 . 1 1 57 57 SER CB C 57 62.280 62.280 62.859 -0.580 19750 3722 1 10 . 1 1 57 57 SER H H 57 8.137 8.137 7.803 0.334 19750 3723 1 10 . 1 1 58 58 LEU N N 58 122.540 122.540 123.380 -0.840 19750 3724 1 10 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.144 0.018 19750 3725 1 10 . 1 1 58 58 LEU C C 58 178.930 178.930 178.335 0.595 19750 3726 1 10 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.335 -0.045 19750 3727 1 10 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.171 -0.981 19750 3728 1 10 . 1 1 58 58 LEU H H 58 7.914 7.914 7.545 0.369 19750 3729 1 10 . 1 1 59 59 ILE N N 59 118.010 118.010 119.257 -1.247 19750 3730 1 10 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.624 0.165 19750 3731 1 10 . 1 1 59 59 ILE C C 59 178.120 178.120 177.332 0.788 19750 3732 1 10 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.728 -1.898 19750 3733 1 10 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.953 -0.803 19750 3734 1 10 . 1 1 59 59 ILE H H 59 7.921 7.921 7.465 0.456 19750 3735 1 10 . 1 1 60 60 GLU N N 60 119.640 119.640 119.230 0.410 19750 3736 1 10 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.813 0.321 19750 3737 1 10 . 1 1 60 60 GLU C C 60 177.950 177.950 177.837 0.113 19750 3738 1 10 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.298 -1.738 19750 3739 1 10 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.464 -1.754 19750 3740 1 10 . 1 1 60 60 GLU H H 60 7.925 7.925 7.678 0.247 19750 3741 1 10 . 1 1 61 61 GLU N N 61 118.990 118.990 116.496 2.494 19750 3742 1 10 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.238 0.007 19750 3743 1 10 . 1 1 61 61 GLU C C 61 177.450 177.450 178.008 -0.558 19750 3744 1 10 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.082 -0.982 19750 3745 1 10 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.796 -2.176 19750 3746 1 10 . 1 1 61 61 GLU H H 61 8.048 8.048 7.552 0.496 19750 3747 1 10 . 1 1 62 62 SER N N 62 115.260 115.260 114.911 0.349 19750 3748 1 10 . 1 1 62 62 SER HA H 62 4.324 4.324 4.418 -0.094 19750 3749 1 10 . 1 1 62 62 SER C C 62 174.940 174.940 174.817 0.123 19750 3750 1 10 . 1 1 62 62 SER CA C 62 59.620 59.620 60.230 -0.610 19750 3751 1 10 . 1 1 62 62 SER CB C 62 63.130 63.130 63.821 -0.691 19750 3752 1 10 . 1 1 62 62 SER H H 62 7.893 7.893 7.550 0.343 19750 3753 1 10 . 1 1 63 63 GLN N N 63 120.400 120.400 120.676 -0.276 19750 3754 1 10 . 1 1 63 63 GLN C C 63 176.070 176.070 175.034 1.036 19750 3755 1 10 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.336 0.454 19750 3756 1 10 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.208 0.492 19750 3757 1 10 . 1 1 63 63 GLN H H 63 7.824 7.824 8.031 -0.207 19750 3758 1 10 . 1 1 64 64 ASN N N 64 119.180 119.180 123.338 -4.158 19750 3759 1 10 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.804 -0.109 19750 3760 1 10 . 1 1 64 64 ASN C C 64 175.300 175.300 174.970 0.330 19750 3761 1 10 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.831 0.448 19750 3762 1 10 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.913 -1.573 19750 3763 1 10 . 1 1 64 64 ASN H H 64 8.059 8.059 8.287 -0.228 19750 3764 1 10 . 1 1 65 65 GLN N N 65 120.740 120.740 121.962 -1.222 19750 3765 1 10 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.629 -0.309 19750 3766 1 10 . 1 1 65 65 GLN C C 65 175.890 175.890 174.788 1.102 19750 3767 1 10 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.366 0.334 19750 3768 1 10 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.465 -1.935 19750 3769 1 10 . 1 1 65 65 GLN H H 65 8.144 8.144 8.531 -0.387 19750 3770 1 10 . 1 1 66 66 GLN N N 66 121.070 121.070 121.730 -0.660 19750 3771 1 10 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.379 -0.059 19750 3772 1 10 . 1 1 66 66 GLN C C 66 175.840 175.840 175.158 0.682 19750 3773 1 10 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.200 -0.590 19750 3774 1 10 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.349 -1.679 19750 3775 1 10 . 1 1 66 66 GLN H H 66 8.199 8.199 8.714 -0.515 19750 3776 1 10 . 1 1 67 67 GLU N N 67 122.320 122.320 121.277 1.043 19750 3777 1 10 . 1 1 67 67 GLU C C 67 175.200 175.200 175.290 -0.090 19750 3778 1 10 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.520 -0.869 19750 3779 1 10 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.239 -1.829 19750 3780 1 10 . 1 1 67 67 GLU H H 67 8.194 8.194 8.468 -0.274 19750 3781 1 11 . 1 1 2 2 GLY N N 2 110.890 110.890 111.463 -0.573 19750 3782 1 11 . 1 1 2 2 GLY C C 2 174.890 174.890 174.554 0.336 19750 3783 1 11 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.011 0.539 19750 3784 1 11 . 1 1 2 2 GLY H H 2 8.294 8.294 7.917 0.377 19750 3785 1 11 . 1 1 3 3 ILE N N 3 120.800 120.800 120.991 -0.191 19750 3786 1 11 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.818 0.214 19750 3787 1 11 . 1 1 3 3 ILE C C 3 176.740 176.740 177.598 -0.858 19750 3788 1 11 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.068 -0.828 19750 3789 1 11 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.424 -0.964 19750 3790 1 11 . 1 1 3 3 ILE H H 3 7.861 7.861 8.173 -0.312 19750 3791 1 11 . 1 1 4 4 VAL N N 4 121.090 121.090 119.789 1.301 19750 3792 1 11 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.791 0.092 19750 3793 1 11 . 1 1 4 4 VAL C C 4 176.990 176.990 177.699 -0.709 19750 3794 1 11 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.857 -2.237 19750 3795 1 11 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.616 -0.446 19750 3796 1 11 . 1 1 4 4 VAL H H 4 7.857 7.857 7.815 0.042 19750 3797 1 11 . 1 1 5 5 GLN N N 5 121.380 121.380 119.786 1.594 19750 3798 1 11 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.896 0.339 19750 3799 1 11 . 1 1 5 5 GLN C C 5 176.960 176.960 178.037 -1.077 19750 3800 1 11 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.577 -2.827 19750 3801 1 11 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.158 0.092 19750 3802 1 11 . 1 1 5 5 GLN H H 5 8.051 8.051 8.636 -0.585 19750 3803 1 11 . 1 1 6 6 GLN N N 6 119.480 119.480 118.076 1.404 19750 3804 1 11 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.902 0.466 19750 3805 1 11 . 1 1 6 6 GLN C C 6 176.720 176.720 178.678 -1.958 19750 3806 1 11 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.996 -2.876 19750 3807 1 11 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.361 -0.141 19750 3808 1 11 . 1 1 6 6 GLN H H 6 8.018 8.018 7.732 0.286 19750 3809 1 11 . 1 1 7 7 GLN N N 7 120.360 120.360 118.315 2.045 19750 3810 1 11 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.012 0.177 19750 3811 1 11 . 1 1 7 7 GLN C C 7 176.180 176.180 178.697 -2.517 19750 3812 1 11 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.798 -1.948 19750 3813 1 11 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.387 -0.307 19750 3814 1 11 . 1 1 7 7 GLN H H 7 8.151 8.151 7.710 0.441 19750 3815 1 11 . 1 1 8 8 ASN N N 8 119.230 119.230 118.777 0.453 19750 3816 1 11 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.517 -0.065 19750 3817 1 11 . 1 1 8 8 ASN C C 8 176.300 176.300 177.834 -1.534 19750 3818 1 11 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.685 -0.885 19750 3819 1 11 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.101 0.099 19750 3820 1 11 . 1 1 8 8 ASN H H 8 8.256 8.256 8.621 -0.365 19750 3821 1 11 . 1 1 9 9 ASN N N 9 119.840 119.840 119.823 0.017 19750 3822 1 11 . 1 1 9 9 ASN C C 9 177.150 177.150 177.454 -0.304 19750 3823 1 11 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.370 -0.430 19750 3824 1 11 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.426 -0.746 19750 3825 1 11 . 1 1 9 9 ASN H H 9 8.319 8.319 8.706 -0.387 19750 3826 1 11 . 1 1 10 10 LEU N N 10 122.900 122.900 122.577 0.323 19750 3827 1 11 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.035 0.099 19750 3828 1 11 . 1 1 10 10 LEU C C 10 178.050 178.050 178.141 -0.091 19750 3829 1 11 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.360 -0.670 19750 3830 1 11 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.032 -1.272 19750 3831 1 11 . 1 1 10 10 LEU H H 10 8.194 8.194 8.163 0.031 19750 3832 1 11 . 1 1 11 11 LEU N N 11 118.800 118.800 117.581 1.219 19750 3833 1 11 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.949 0.059 19750 3834 1 11 . 1 1 11 11 LEU C C 11 178.830 178.830 178.943 -0.113 19750 3835 1 11 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.469 0.201 19750 3836 1 11 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.956 -1.726 19750 3837 1 11 . 1 1 11 11 LEU H H 11 8.030 8.030 7.390 0.640 19750 3838 1 11 . 1 1 12 12 ARG N N 12 117.710 117.710 117.994 -0.284 19750 3839 1 11 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.111 -0.098 19750 3840 1 11 . 1 1 12 12 ARG C C 12 178.840 178.840 178.466 0.374 19750 3841 1 11 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.786 -0.166 19750 3842 1 11 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.276 -1.226 19750 3843 1 11 . 1 1 12 12 ARG H H 12 7.845 7.845 7.419 0.426 19750 3844 1 11 . 1 1 13 13 ALA N N 13 121.870 121.870 122.306 -0.436 19750 3845 1 11 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.105 0.089 19750 3846 1 11 . 1 1 13 13 ALA C C 13 180.040 180.040 179.033 1.007 19750 3847 1 11 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.680 -0.200 19750 3848 1 11 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.225 -0.725 19750 3849 1 11 . 1 1 13 13 ALA H H 13 7.681 7.681 8.520 -0.839 19750 3850 1 11 . 1 1 14 14 ILE N N 14 118.010 118.010 118.006 0.004 19750 3851 1 11 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.731 0.002 19750 3852 1 11 . 1 1 14 14 ILE C C 14 177.760 177.760 178.216 -0.456 19750 3853 1 11 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.987 -0.647 19750 3854 1 11 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.379 -1.179 19750 3855 1 11 . 1 1 14 14 ILE H H 14 7.975 7.975 7.510 0.465 19750 3856 1 11 . 1 1 15 15 GLU N N 15 117.430 117.430 118.377 -0.947 19750 3857 1 11 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.416 -0.464 19750 3858 1 11 . 1 1 15 15 GLU C C 15 177.030 177.030 178.098 -1.068 19750 3859 1 11 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.847 -0.927 19750 3860 1 11 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.731 -2.311 19750 3861 1 11 . 1 1 15 15 GLU H H 15 8.110 8.110 8.220 -0.110 19750 3862 1 11 . 1 1 16 16 ALA N N 16 119.580 119.580 119.586 -0.006 19750 3863 1 11 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.315 0.028 19750 3864 1 11 . 1 1 16 16 ALA C C 16 178.570 178.570 177.041 1.529 19750 3865 1 11 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.767 -0.117 19750 3866 1 11 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.214 0.866 19750 3867 1 11 . 1 1 16 16 ALA H H 16 7.457 7.457 7.967 -0.510 19750 3868 1 11 . 1 1 17 17 GLN N N 17 118.840 118.840 114.033 4.807 19750 3869 1 11 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.475 -0.044 19750 3870 1 11 . 1 1 17 17 GLN C C 17 176.160 176.160 176.377 -0.217 19750 3871 1 11 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.527 -0.897 19750 3872 1 11 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.364 -2.984 19750 3873 1 11 . 1 1 17 17 GLN H H 17 7.642 7.642 8.016 -0.374 19750 3874 1 11 . 1 1 18 18 GLN N N 18 120.730 120.730 120.909 -0.179 19750 3875 1 11 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.956 0.061 19750 3876 1 11 . 1 1 18 18 GLN C C 18 177.480 177.480 177.487 -0.007 19750 3877 1 11 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.422 -1.132 19750 3878 1 11 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.729 -0.609 19750 3879 1 11 . 1 1 18 18 GLN H H 18 7.975 7.975 7.591 0.384 19750 3880 1 11 . 1 1 19 19 HIS N N 19 117.470 117.470 118.716 -1.246 19750 3881 1 11 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.386 0.288 19750 3882 1 11 . 1 1 19 19 HIS C C 19 176.330 176.330 177.487 -1.157 19750 3883 1 11 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.575 -2.615 19750 3884 1 11 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.490 -2.070 19750 3885 1 11 . 1 1 19 19 HIS H H 19 8.697 8.697 8.447 0.250 19750 3886 1 11 . 1 1 20 20 LEU N N 20 120.410 120.410 122.003 -1.593 19750 3887 1 11 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.136 -0.086 19750 3888 1 11 . 1 1 20 20 LEU C C 20 179.680 179.680 178.319 1.361 19750 3889 1 11 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.616 0.124 19750 3890 1 11 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.183 -0.353 19750 3891 1 11 . 1 1 20 20 LEU H H 20 8.026 8.026 8.394 -0.368 19750 3892 1 11 . 1 1 21 21 LEU N N 21 121.930 121.930 119.354 2.576 19750 3893 1 11 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.958 0.101 19750 3894 1 11 . 1 1 21 21 LEU C C 21 178.540 178.540 179.313 -0.773 19750 3895 1 11 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.668 -0.538 19750 3896 1 11 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.705 -0.575 19750 3897 1 11 . 1 1 21 21 LEU H H 21 8.433 8.433 7.620 0.813 19750 3898 1 11 . 1 1 22 22 GLN N N 22 118.540 118.540 117.973 0.567 19750 3899 1 11 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.153 -0.140 19750 3900 1 11 . 1 1 22 22 GLN C C 22 179.430 179.430 178.684 0.746 19750 3901 1 11 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.750 0.150 19750 3902 1 11 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.424 -0.954 19750 3903 1 11 . 1 1 22 22 GLN H H 22 8.087 8.087 7.611 0.476 19750 3904 1 11 . 1 1 23 23 LEU N N 23 120.750 120.750 120.930 -0.180 19750 3905 1 11 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.004 0.227 19750 3906 1 11 . 1 1 23 23 LEU C C 23 178.420 178.420 178.886 -0.466 19750 3907 1 11 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.147 -0.517 19750 3908 1 11 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.124 -0.834 19750 3909 1 11 . 1 1 23 23 LEU H H 23 8.013 8.013 8.704 -0.691 19750 3910 1 11 . 1 1 24 24 THR N N 24 116.790 116.790 115.658 1.132 19750 3911 1 11 . 1 1 24 24 THR C C 24 176.180 176.180 176.733 -0.553 19750 3912 1 11 . 1 1 24 24 THR H H 24 8.024 8.024 8.431 -0.407 19750 3913 1 11 . 1 1 25 25 VAL N N 25 121.130 121.130 121.398 -0.268 19750 3914 1 11 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.895 -0.320 19750 3915 1 11 . 1 1 25 25 VAL C C 25 177.600 177.600 177.927 -0.327 19750 3916 1 11 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.284 0.536 19750 3917 1 11 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.584 -0.754 19750 3918 1 11 . 1 1 25 25 VAL H H 25 8.068 8.068 7.515 0.553 19750 3919 1 11 . 1 1 26 26 TRP N N 26 120.520 120.520 120.311 0.209 19750 3920 1 11 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.715 -0.535 19750 3921 1 11 . 1 1 26 26 TRP C C 26 178.700 178.700 178.628 0.072 19750 3922 1 11 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.533 0.896 19750 3923 1 11 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.970 -1.230 19750 3924 1 11 . 1 1 26 26 TRP H H 26 7.983 7.983 8.901 -0.918 19750 3925 1 11 . 1 1 27 27 GLY N N 27 107.880 107.880 108.686 -0.806 19750 3926 1 11 . 1 1 27 27 GLY C C 27 174.990 174.990 175.757 -0.767 19750 3927 1 11 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.044 0.197 19750 3928 1 11 . 1 1 27 27 GLY H H 27 8.846 8.846 8.623 0.223 19750 3929 1 11 . 1 1 28 28 ILE N N 28 122.330 122.330 117.779 4.551 19750 3930 1 11 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.902 -0.290 19750 3931 1 11 . 1 1 28 28 ILE C C 28 178.030 178.030 177.289 0.741 19750 3932 1 11 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.085 0.774 19750 3933 1 11 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.478 -0.968 19750 3934 1 11 . 1 1 28 28 ILE H H 28 8.427 8.427 7.752 0.675 19750 3935 1 11 . 1 1 29 29 LYS N N 29 119.850 119.850 121.131 -1.281 19750 3936 1 11 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.982 0.040 19750 3937 1 11 . 1 1 29 29 LYS C C 29 180.050 180.050 178.796 1.254 19750 3938 1 11 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.127 0.144 19750 3939 1 11 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.980 -1.300 19750 3940 1 11 . 1 1 29 29 LYS H H 29 7.993 7.993 7.498 0.495 19750 3941 1 11 . 1 1 30 30 GLN N N 30 118.870 118.870 118.582 0.288 19750 3942 1 11 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.068 -0.228 19750 3943 1 11 . 1 1 30 30 GLN C C 30 178.750 178.750 178.585 0.165 19750 3944 1 11 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.374 -1.214 19750 3945 1 11 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.460 -1.600 19750 3946 1 11 . 1 1 30 30 GLN H H 30 7.800 7.800 7.717 0.083 19750 3947 1 11 . 1 1 31 31 LEU N N 31 120.220 120.220 120.554 -0.334 19750 3948 1 11 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.160 -0.194 19750 3949 1 11 . 1 1 31 31 LEU C C 31 179.300 179.300 178.809 0.491 19750 3950 1 11 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.915 -0.705 19750 3951 1 11 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.746 -1.086 19750 3952 1 11 . 1 1 31 31 LEU H H 31 7.873 7.873 7.747 0.126 19750 3953 1 11 . 1 1 32 32 GLN N N 32 118.830 118.830 119.626 -0.796 19750 3954 1 11 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.885 0.058 19750 3955 1 11 . 1 1 32 32 GLN C C 32 177.910 177.910 178.306 -0.396 19750 3956 1 11 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.886 -0.666 19750 3957 1 11 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.477 -0.457 19750 3958 1 11 . 1 1 32 32 GLN H H 32 8.216 8.216 7.849 0.367 19750 3959 1 11 . 1 1 33 33 ALA N N 33 121.340 121.340 119.246 2.094 19750 3960 1 11 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.129 0.056 19750 3961 1 11 . 1 1 33 33 ALA C C 33 179.050 179.050 177.860 1.190 19750 3962 1 11 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.366 0.094 19750 3963 1 11 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.351 -0.631 19750 3964 1 11 . 1 1 33 33 ALA H H 33 7.647 7.647 7.607 0.040 19750 3965 1 11 . 1 1 34 34 ARG N N 34 117.580 117.580 118.147 -0.567 19750 3966 1 11 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.155 0.151 19750 3967 1 11 . 1 1 34 34 ARG C C 34 176.800 176.800 176.786 0.014 19750 3968 1 11 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.087 -0.857 19750 3969 1 11 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.590 -0.940 19750 3970 1 11 . 1 1 34 34 ARG H H 34 7.612 7.612 8.062 -0.450 19750 3971 1 11 . 1 1 35 35 SER N N 35 114.960 114.960 113.744 1.216 19750 3972 1 11 . 1 1 35 35 SER HA H 35 4.343 4.343 4.490 -0.147 19750 3973 1 11 . 1 1 35 35 SER C C 35 175.290 175.290 175.859 -0.569 19750 3974 1 11 . 1 1 35 35 SER CA C 35 58.930 58.930 58.078 0.852 19750 3975 1 11 . 1 1 35 35 SER CB C 35 63.370 63.370 64.555 -1.185 19750 3976 1 11 . 1 1 35 35 SER H H 35 7.827 7.827 7.599 0.228 19750 3977 1 11 . 1 1 36 36 GLY N N 36 110.340 110.340 110.472 -0.132 19750 3978 1 11 . 1 1 36 36 GLY C C 36 174.840 174.840 174.044 0.796 19750 3979 1 11 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.164 1.176 19750 3980 1 11 . 1 1 36 36 GLY H H 36 8.132 8.132 8.647 -0.515 19750 3981 1 11 . 1 1 37 37 GLY N N 37 108.880 108.880 106.911 1.969 19750 3982 1 11 . 1 1 37 37 GLY C C 37 174.400 174.400 174.559 -0.159 19750 3983 1 11 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.468 0.503 19750 3984 1 11 . 1 1 37 37 GLY H H 37 8.190 8.190 7.437 0.753 19750 3985 1 11 . 1 1 38 38 ARG N N 38 120.630 120.630 121.636 -1.006 19750 3986 1 11 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.582 -0.267 19750 3987 1 11 . 1 1 38 38 ARG C C 38 176.900 176.900 175.990 0.910 19750 3988 1 11 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.758 0.292 19750 3989 1 11 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.265 -0.515 19750 3990 1 11 . 1 1 38 38 ARG H H 38 8.118 8.118 8.518 -0.400 19750 3991 1 11 . 1 1 39 39 GLY N N 39 109.360 109.360 108.722 0.638 19750 3992 1 11 . 1 1 39 39 GLY C C 39 174.690 174.690 173.879 0.811 19750 3993 1 11 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.658 0.461 19750 3994 1 11 . 1 1 39 39 GLY H H 39 8.374 8.374 8.156 0.218 19750 3995 1 11 . 1 1 40 40 GLY N N 40 109.060 109.060 107.744 1.316 19750 3996 1 11 . 1 1 40 40 GLY C C 40 174.680 174.680 174.072 0.608 19750 3997 1 11 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.817 0.263 19750 3998 1 11 . 1 1 40 40 GLY H H 40 7.995 7.995 8.427 -0.432 19750 3999 1 11 . 1 1 41 41 TRP N N 41 121.260 121.260 127.233 -5.973 19750 4000 1 11 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.761 -0.362 19750 4001 1 11 . 1 1 41 41 TRP C C 41 177.300 177.300 176.240 1.060 19750 4002 1 11 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.262 1.318 19750 4003 1 11 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.802 -2.112 19750 4004 1 11 . 1 1 41 41 TRP H H 41 8.176 8.176 8.962 -0.786 19750 4005 1 11 . 1 1 42 42 MET N N 42 118.570 118.570 120.176 -1.606 19750 4006 1 11 . 1 1 42 42 MET HA H 42 4.185 4.185 4.126 0.059 19750 4007 1 11 . 1 1 42 42 MET C C 42 177.930 177.930 178.253 -0.323 19750 4008 1 11 . 1 1 42 42 MET CA C 42 57.460 57.460 58.818 -1.357 19750 4009 1 11 . 1 1 42 42 MET CB C 42 30.920 30.920 32.290 -1.370 19750 4010 1 11 . 1 1 42 42 MET H H 42 8.120 8.120 8.316 -0.196 19750 4011 1 11 . 1 1 43 43 GLU N N 43 119.600 119.600 119.116 0.484 19750 4012 1 11 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.968 0.231 19750 4013 1 11 . 1 1 43 43 GLU C C 43 177.980 177.980 178.770 -0.790 19750 4014 1 11 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.034 -2.514 19750 4015 1 11 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.954 -1.394 19750 4016 1 11 . 1 1 43 43 GLU H H 43 7.834 7.834 8.767 -0.933 19750 4017 1 11 . 1 1 44 44 TRP N N 44 120.890 120.890 117.233 3.657 19750 4018 1 11 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.411 0.081 19750 4019 1 11 . 1 1 44 44 TRP C C 44 177.480 177.480 177.778 -0.298 19750 4020 1 11 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.010 -0.050 19750 4021 1 11 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.522 -0.102 19750 4022 1 11 . 1 1 44 44 TRP H H 44 7.824 7.824 8.608 -0.784 19750 4023 1 11 . 1 1 45 45 ASP N N 45 118.210 118.210 117.809 0.401 19750 4024 1 11 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.626 -0.274 19750 4025 1 11 . 1 1 45 45 ASP C C 45 177.070 177.070 176.993 0.077 19750 4026 1 11 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.115 -0.165 19750 4027 1 11 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.665 -2.405 19750 4028 1 11 . 1 1 45 45 ASP H H 45 8.325 8.325 7.824 0.501 19750 4029 1 11 . 1 1 46 46 ARG N N 46 119.510 119.510 119.746 -0.236 19750 4030 1 11 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.364 -0.263 19750 4031 1 11 . 1 1 46 46 ARG C C 46 178.410 178.410 178.009 0.401 19750 4032 1 11 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.274 0.166 19750 4033 1 11 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.277 -2.087 19750 4034 1 11 . 1 1 46 46 ARG H H 46 7.860 7.860 8.197 -0.337 19750 4035 1 11 . 1 1 47 47 GLU N N 47 118.470 118.470 120.910 -2.440 19750 4036 1 11 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.172 0.115 19750 4037 1 11 . 1 1 47 47 GLU C C 47 178.170 178.170 178.630 -0.460 19750 4038 1 11 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.134 -1.324 19750 4039 1 11 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.498 -1.778 19750 4040 1 11 . 1 1 47 47 GLU H H 47 7.874 7.874 7.596 0.278 19750 4041 1 11 . 1 1 48 48 ILE N N 48 118.800 118.800 115.134 3.666 19750 4042 1 11 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.794 0.135 19750 4043 1 11 . 1 1 48 48 ILE C C 48 178.060 178.060 177.304 0.756 19750 4044 1 11 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.991 0.039 19750 4045 1 11 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.423 -0.433 19750 4046 1 11 . 1 1 48 48 ILE H H 48 8.199 8.199 7.590 0.609 19750 4047 1 11 . 1 1 49 49 ASN N N 49 119.580 119.580 118.961 0.619 19750 4048 1 11 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.677 -0.078 19750 4049 1 11 . 1 1 49 49 ASN C C 49 177.110 177.110 177.063 0.047 19750 4050 1 11 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.528 0.172 19750 4051 1 11 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.184 -0.104 19750 4052 1 11 . 1 1 49 49 ASN H H 49 8.085 8.085 7.995 0.090 19750 4053 1 11 . 1 1 50 50 ASN N N 50 118.690 118.690 120.100 -1.410 19750 4054 1 11 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.424 0.110 19750 4055 1 11 . 1 1 50 50 ASN C C 50 177.120 177.120 177.336 -0.216 19750 4056 1 11 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.482 -1.422 19750 4057 1 11 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.559 -0.879 19750 4058 1 11 . 1 1 50 50 ASN H H 50 8.020 8.020 8.057 -0.037 19750 4059 1 11 . 1 1 51 51 TYR N N 51 118.430 118.430 117.964 0.466 19750 4060 1 11 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.457 0.077 19750 4061 1 11 . 1 1 51 51 TYR C C 51 177.480 177.480 176.217 1.263 19750 4062 1 11 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.077 0.353 19750 4063 1 11 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.721 -1.012 19750 4064 1 11 . 1 1 51 51 TYR H H 51 8.106 8.106 7.730 0.376 19750 4065 1 11 . 1 1 52 52 THR N N 52 114.470 114.470 115.103 -0.633 19750 4066 1 11 . 1 1 52 52 THR HA H 52 3.943 3.943 4.282 -0.339 19750 4067 1 11 . 1 1 52 52 THR C C 52 176.970 176.970 176.066 0.904 19750 4068 1 11 . 1 1 52 52 THR CA C 52 66.220 66.220 65.395 0.825 19750 4069 1 11 . 1 1 52 52 THR CB C 52 67.580 67.580 69.105 -1.525 19750 4070 1 11 . 1 1 52 52 THR H H 52 8.247 8.247 7.964 0.283 19750 4071 1 11 . 1 1 53 53 SER N N 53 118.260 118.260 118.503 -0.243 19750 4072 1 11 . 1 1 53 53 SER HA H 53 4.338 4.338 4.462 -0.124 19750 4073 1 11 . 1 1 53 53 SER C C 53 176.990 176.990 175.882 1.108 19750 4074 1 11 . 1 1 53 53 SER CA C 53 61.300 61.300 61.008 0.291 19750 4075 1 11 . 1 1 53 53 SER CB C 53 62.020 62.020 63.069 -1.049 19750 4076 1 11 . 1 1 53 53 SER H H 53 8.064 8.064 7.755 0.309 19750 4077 1 11 . 1 1 54 54 LEU N N 54 123.950 123.950 122.961 0.989 19750 4078 1 11 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.079 0.171 19750 4079 1 11 . 1 1 54 54 LEU C C 54 179.060 179.060 177.714 1.346 19750 4080 1 11 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.654 0.035 19750 4081 1 11 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.153 -1.163 19750 4082 1 11 . 1 1 54 54 LEU H H 54 7.631 7.631 7.359 0.272 19750 4083 1 11 . 1 1 55 55 ILE N N 55 118.770 118.770 116.299 2.471 19750 4084 1 11 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.867 -0.148 19750 4085 1 11 . 1 1 55 55 ILE C C 55 177.570 177.570 176.690 0.880 19750 4086 1 11 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.107 2.413 19750 4087 1 11 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.804 -1.344 19750 4088 1 11 . 1 1 55 55 ILE H H 55 8.051 8.051 7.522 0.529 19750 4089 1 11 . 1 1 56 56 HIS N N 56 117.770 117.770 120.533 -2.763 19750 4090 1 11 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.432 -0.177 19750 4091 1 11 . 1 1 56 56 HIS C C 56 176.790 176.790 177.200 -0.410 19750 4092 1 11 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.234 -0.144 19750 4093 1 11 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.683 -2.083 19750 4094 1 11 . 1 1 56 56 HIS H H 56 8.339 8.339 7.773 0.566 19750 4095 1 11 . 1 1 57 57 SER N N 57 115.350 115.350 115.516 -0.166 19750 4096 1 11 . 1 1 57 57 SER HA H 57 4.245 4.245 4.216 0.029 19750 4097 1 11 . 1 1 57 57 SER C C 57 175.990 175.990 176.042 -0.052 19750 4098 1 11 . 1 1 57 57 SER CA C 57 61.580 61.580 61.592 -0.012 19750 4099 1 11 . 1 1 57 57 SER CB C 57 62.280 62.280 62.792 -0.512 19750 4100 1 11 . 1 1 57 57 SER H H 57 8.137 8.137 7.822 0.315 19750 4101 1 11 . 1 1 58 58 LEU N N 58 122.540 122.540 123.445 -0.905 19750 4102 1 11 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.100 0.062 19750 4103 1 11 . 1 1 58 58 LEU C C 58 178.930 178.930 178.322 0.608 19750 4104 1 11 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.663 -0.373 19750 4105 1 11 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.122 -0.932 19750 4106 1 11 . 1 1 58 58 LEU H H 58 7.914 7.914 7.568 0.346 19750 4107 1 11 . 1 1 59 59 ILE N N 59 118.010 118.010 119.769 -1.759 19750 4108 1 11 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.581 0.208 19750 4109 1 11 . 1 1 59 59 ILE C C 59 178.120 178.120 177.791 0.329 19750 4110 1 11 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.775 -1.945 19750 4111 1 11 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.984 -0.834 19750 4112 1 11 . 1 1 59 59 ILE H H 59 7.921 7.921 7.486 0.435 19750 4113 1 11 . 1 1 60 60 GLU N N 60 119.640 119.640 119.226 0.414 19750 4114 1 11 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.754 0.380 19750 4115 1 11 . 1 1 60 60 GLU C C 60 177.950 177.950 177.897 0.053 19750 4116 1 11 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.366 -1.806 19750 4117 1 11 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.328 -1.619 19750 4118 1 11 . 1 1 60 60 GLU H H 60 7.925 7.925 7.778 0.147 19750 4119 1 11 . 1 1 61 61 GLU N N 61 118.990 118.990 116.807 2.183 19750 4120 1 11 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.136 0.109 19750 4121 1 11 . 1 1 61 61 GLU C C 61 177.450 177.450 178.062 -0.612 19750 4122 1 11 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.659 -1.559 19750 4123 1 11 . 1 1 61 61 GLU CB C 61 27.620 27.620 30.036 -2.416 19750 4124 1 11 . 1 1 61 61 GLU H H 61 8.048 8.048 7.587 0.461 19750 4125 1 11 . 1 1 62 62 SER N N 62 115.260 115.260 114.557 0.703 19750 4126 1 11 . 1 1 62 62 SER HA H 62 4.324 4.324 4.224 0.100 19750 4127 1 11 . 1 1 62 62 SER C C 62 174.940 174.940 177.298 -2.358 19750 4128 1 11 . 1 1 62 62 SER CA C 62 59.620 59.620 60.618 -0.998 19750 4129 1 11 . 1 1 62 62 SER CB C 62 63.130 63.130 62.965 0.165 19750 4130 1 11 . 1 1 62 62 SER H H 62 7.893 7.893 7.615 0.278 19750 4131 1 11 . 1 1 63 63 GLN N N 63 120.400 120.400 120.964 -0.564 19750 4132 1 11 . 1 1 63 63 GLN C C 63 176.070 176.070 175.226 0.844 19750 4133 1 11 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.867 -0.077 19750 4134 1 11 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.256 1.444 19750 4135 1 11 . 1 1 63 63 GLN H H 63 7.824 7.824 7.938 -0.114 19750 4136 1 11 . 1 1 64 64 ASN N N 64 119.180 119.180 117.967 1.213 19750 4137 1 11 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.380 0.315 19750 4138 1 11 . 1 1 64 64 ASN C C 64 175.300 175.300 174.440 0.860 19750 4139 1 11 . 1 1 64 64 ASN CA C 64 53.280 53.280 54.538 -1.258 19750 4140 1 11 . 1 1 64 64 ASN CB C 64 38.340 38.340 38.706 -0.367 19750 4141 1 11 . 1 1 64 64 ASN H H 64 8.059 8.059 8.466 -0.407 19750 4142 1 11 . 1 1 65 65 GLN N N 65 120.740 120.740 123.654 -2.914 19750 4143 1 11 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.563 -0.243 19750 4144 1 11 . 1 1 65 65 GLN C C 65 175.890 175.890 174.864 1.026 19750 4145 1 11 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.474 0.226 19750 4146 1 11 . 1 1 65 65 GLN CB C 65 28.530 28.530 31.653 -3.123 19750 4147 1 11 . 1 1 65 65 GLN H H 65 8.144 8.144 8.274 -0.130 19750 4148 1 11 . 1 1 66 66 GLN N N 66 121.070 121.070 119.470 1.600 19750 4149 1 11 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.379 -0.059 19750 4150 1 11 . 1 1 66 66 GLN C C 66 175.840 175.840 174.806 1.034 19750 4151 1 11 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.281 -0.671 19750 4152 1 11 . 1 1 66 66 GLN CB C 66 28.670 28.670 29.803 -1.133 19750 4153 1 11 . 1 1 66 66 GLN H H 66 8.199 8.199 8.656 -0.457 19750 4154 1 11 . 1 1 67 67 GLU N N 67 122.320 122.320 121.427 0.893 19750 4155 1 11 . 1 1 67 67 GLU C C 67 175.200 175.200 175.309 -0.109 19750 4156 1 11 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.497 -0.847 19750 4157 1 11 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.286 -1.876 19750 4158 1 11 . 1 1 67 67 GLU H H 67 8.194 8.194 8.504 -0.310 19750 4159 1 12 . 1 1 2 2 GLY N N 2 110.890 110.890 111.619 -0.729 19750 4160 1 12 . 1 1 2 2 GLY C C 2 174.890 174.890 174.480 0.410 19750 4161 1 12 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.012 0.538 19750 4162 1 12 . 1 1 2 2 GLY H H 2 8.294 8.294 7.912 0.382 19750 4163 1 12 . 1 1 3 3 ILE N N 3 120.800 120.800 120.768 0.032 19750 4164 1 12 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.841 0.191 19750 4165 1 12 . 1 1 3 3 ILE C C 3 176.740 176.740 177.410 -0.670 19750 4166 1 12 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.954 -0.714 19750 4167 1 12 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.455 -0.994 19750 4168 1 12 . 1 1 3 3 ILE H H 3 7.861 7.861 8.215 -0.354 19750 4169 1 12 . 1 1 4 4 VAL N N 4 121.090 121.090 119.512 1.578 19750 4170 1 12 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.859 0.024 19750 4171 1 12 . 1 1 4 4 VAL C C 4 176.990 176.990 177.569 -0.579 19750 4172 1 12 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.309 -1.689 19750 4173 1 12 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.766 -0.596 19750 4174 1 12 . 1 1 4 4 VAL H H 4 7.857 7.857 7.735 0.122 19750 4175 1 12 . 1 1 5 5 GLN N N 5 121.380 121.380 119.918 1.462 19750 4176 1 12 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.905 0.330 19750 4177 1 12 . 1 1 5 5 GLN C C 5 176.960 176.960 178.059 -1.099 19750 4178 1 12 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.585 -2.835 19750 4179 1 12 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.155 0.095 19750 4180 1 12 . 1 1 5 5 GLN H H 5 8.051 8.051 8.607 -0.556 19750 4181 1 12 . 1 1 6 6 GLN N N 6 119.480 119.480 117.953 1.527 19750 4182 1 12 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.932 0.436 19750 4183 1 12 . 1 1 6 6 GLN C C 6 176.720 176.720 178.647 -1.927 19750 4184 1 12 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.983 -2.863 19750 4185 1 12 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.323 -0.103 19750 4186 1 12 . 1 1 6 6 GLN H H 6 8.018 8.018 7.718 0.300 19750 4187 1 12 . 1 1 7 7 GLN N N 7 120.360 120.360 118.082 2.278 19750 4188 1 12 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.049 0.140 19750 4189 1 12 . 1 1 7 7 GLN C C 7 176.180 176.180 178.698 -2.518 19750 4190 1 12 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.610 -1.760 19750 4191 1 12 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.327 -0.247 19750 4192 1 12 . 1 1 7 7 GLN H H 7 8.151 8.151 7.973 0.178 19750 4193 1 12 . 1 1 8 8 ASN N N 8 119.230 119.230 118.722 0.508 19750 4194 1 12 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.632 -0.180 19750 4195 1 12 . 1 1 8 8 ASN C C 8 176.300 176.300 177.528 -1.228 19750 4196 1 12 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.369 -0.569 19750 4197 1 12 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.349 -0.149 19750 4198 1 12 . 1 1 8 8 ASN H H 8 8.256 8.256 8.559 -0.303 19750 4199 1 12 . 1 1 9 9 ASN N N 9 119.840 119.840 120.258 -0.418 19750 4200 1 12 . 1 1 9 9 ASN C C 9 177.150 177.150 177.431 -0.281 19750 4201 1 12 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.242 -0.302 19750 4202 1 12 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.435 -0.755 19750 4203 1 12 . 1 1 9 9 ASN H H 9 8.319 8.319 8.697 -0.378 19750 4204 1 12 . 1 1 10 10 LEU N N 10 122.900 122.900 121.975 0.925 19750 4205 1 12 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.043 0.091 19750 4206 1 12 . 1 1 10 10 LEU C C 10 178.050 178.050 178.203 -0.153 19750 4207 1 12 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.256 -0.566 19750 4208 1 12 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.022 -1.262 19750 4209 1 12 . 1 1 10 10 LEU H H 10 8.194 8.194 8.389 -0.195 19750 4210 1 12 . 1 1 11 11 LEU N N 11 118.800 118.800 117.878 0.922 19750 4211 1 12 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.999 0.009 19750 4212 1 12 . 1 1 11 11 LEU C C 11 178.830 178.830 178.818 0.012 19750 4213 1 12 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.231 0.439 19750 4214 1 12 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.985 -1.755 19750 4215 1 12 . 1 1 11 11 LEU H H 11 8.030 8.030 7.540 0.490 19750 4216 1 12 . 1 1 12 12 ARG N N 12 117.710 117.710 118.444 -0.734 19750 4217 1 12 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.032 -0.019 19750 4218 1 12 . 1 1 12 12 ARG C C 12 178.840 178.840 178.592 0.248 19750 4219 1 12 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.011 -0.391 19750 4220 1 12 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.189 -1.139 19750 4221 1 12 . 1 1 12 12 ARG H H 12 7.845 7.845 7.487 0.358 19750 4222 1 12 . 1 1 13 13 ALA N N 13 121.870 121.870 122.217 -0.347 19750 4223 1 12 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.104 0.090 19750 4224 1 12 . 1 1 13 13 ALA C C 13 180.040 180.040 179.078 0.962 19750 4225 1 12 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.850 -0.370 19750 4226 1 12 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.262 -0.762 19750 4227 1 12 . 1 1 13 13 ALA H H 13 7.681 7.681 8.544 -0.863 19750 4228 1 12 . 1 1 14 14 ILE N N 14 118.010 118.010 118.423 -0.413 19750 4229 1 12 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.720 0.013 19750 4230 1 12 . 1 1 14 14 ILE C C 14 177.760 177.760 178.272 -0.512 19750 4231 1 12 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.956 -0.616 19750 4232 1 12 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.096 -0.896 19750 4233 1 12 . 1 1 14 14 ILE H H 14 7.975 7.975 7.468 0.507 19750 4234 1 12 . 1 1 15 15 GLU N N 15 117.430 117.430 118.717 -1.287 19750 4235 1 12 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.421 -0.469 19750 4236 1 12 . 1 1 15 15 GLU C C 15 177.030 177.030 177.883 -0.853 19750 4237 1 12 . 1 1 15 15 GLU CA C 15 57.920 57.920 59.011 -1.091 19750 4238 1 12 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.548 -2.128 19750 4239 1 12 . 1 1 15 15 GLU H H 15 8.110 8.110 7.956 0.154 19750 4240 1 12 . 1 1 16 16 ALA N N 16 119.580 119.580 119.600 -0.020 19750 4241 1 12 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.312 0.031 19750 4242 1 12 . 1 1 16 16 ALA C C 16 178.570 178.570 177.011 1.559 19750 4243 1 12 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.789 -0.140 19750 4244 1 12 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.240 0.840 19750 4245 1 12 . 1 1 16 16 ALA H H 16 7.457 7.457 7.960 -0.503 19750 4246 1 12 . 1 1 17 17 GLN N N 17 118.840 118.840 113.909 4.931 19750 4247 1 12 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.467 -0.036 19750 4248 1 12 . 1 1 17 17 GLN C C 17 176.160 176.160 176.336 -0.176 19750 4249 1 12 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.566 -0.936 19750 4250 1 12 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.370 -2.990 19750 4251 1 12 . 1 1 17 17 GLN H H 17 7.642 7.642 8.020 -0.378 19750 4252 1 12 . 1 1 18 18 GLN N N 18 120.730 120.730 120.949 -0.219 19750 4253 1 12 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.954 0.063 19750 4254 1 12 . 1 1 18 18 GLN C C 18 177.480 177.480 177.493 -0.013 19750 4255 1 12 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.447 -1.157 19750 4256 1 12 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.732 -0.612 19750 4257 1 12 . 1 1 18 18 GLN H H 18 7.975 7.975 7.607 0.368 19750 4258 1 12 . 1 1 19 19 HIS N N 19 117.470 117.470 118.743 -1.273 19750 4259 1 12 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.381 0.293 19750 4260 1 12 . 1 1 19 19 HIS C C 19 176.330 176.330 177.512 -1.182 19750 4261 1 12 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.549 -2.589 19750 4262 1 12 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.504 -2.084 19750 4263 1 12 . 1 1 19 19 HIS H H 19 8.697 8.697 8.455 0.242 19750 4264 1 12 . 1 1 20 20 LEU N N 20 120.410 120.410 121.947 -1.537 19750 4265 1 12 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.131 -0.081 19750 4266 1 12 . 1 1 20 20 LEU C C 20 179.680 179.680 178.331 1.349 19750 4267 1 12 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.610 0.130 19750 4268 1 12 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.189 -0.359 19750 4269 1 12 . 1 1 20 20 LEU H H 20 8.026 8.026 8.390 -0.364 19750 4270 1 12 . 1 1 21 21 LEU N N 21 121.930 121.930 119.372 2.558 19750 4271 1 12 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.962 0.097 19750 4272 1 12 . 1 1 21 21 LEU C C 21 178.540 178.540 179.367 -0.827 19750 4273 1 12 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.703 -0.573 19750 4274 1 12 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.764 -0.634 19750 4275 1 12 . 1 1 21 21 LEU H H 21 8.433 8.433 7.620 0.813 19750 4276 1 12 . 1 1 22 22 GLN N N 22 118.540 118.540 117.679 0.861 19750 4277 1 12 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.167 -0.154 19750 4278 1 12 . 1 1 22 22 GLN C C 22 179.430 179.430 178.799 0.631 19750 4279 1 12 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.480 0.420 19750 4280 1 12 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.475 -1.005 19750 4281 1 12 . 1 1 22 22 GLN H H 22 8.087 8.087 7.625 0.462 19750 4282 1 12 . 1 1 23 23 LEU N N 23 120.750 120.750 121.080 -0.330 19750 4283 1 12 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.084 0.147 19750 4284 1 12 . 1 1 23 23 LEU C C 23 178.420 178.420 178.669 -0.249 19750 4285 1 12 . 1 1 23 23 LEU CA C 23 57.630 57.630 57.984 -0.354 19750 4286 1 12 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.166 -0.876 19750 4287 1 12 . 1 1 23 23 LEU H H 23 8.013 8.013 8.666 -0.653 19750 4288 1 12 . 1 1 24 24 THR N N 24 116.790 116.790 116.242 0.548 19750 4289 1 12 . 1 1 24 24 THR C C 24 176.180 176.180 176.721 -0.541 19750 4290 1 12 . 1 1 24 24 THR H H 24 8.024 8.024 8.578 -0.554 19750 4291 1 12 . 1 1 25 25 VAL N N 25 121.130 121.130 120.724 0.406 19750 4292 1 12 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.900 -0.325 19750 4293 1 12 . 1 1 25 25 VAL C C 25 177.600 177.600 177.908 -0.308 19750 4294 1 12 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.299 0.521 19750 4295 1 12 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.539 -0.709 19750 4296 1 12 . 1 1 25 25 VAL H H 25 8.068 8.068 7.490 0.578 19750 4297 1 12 . 1 1 26 26 TRP N N 26 120.520 120.520 120.554 -0.034 19750 4298 1 12 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.695 -0.515 19750 4299 1 12 . 1 1 26 26 TRP C C 26 178.700 178.700 178.554 0.146 19750 4300 1 12 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.510 0.920 19750 4301 1 12 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.017 -1.277 19750 4302 1 12 . 1 1 26 26 TRP H H 26 7.983 7.983 8.156 -0.173 19750 4303 1 12 . 1 1 27 27 GLY N N 27 107.880 107.880 108.314 -0.434 19750 4304 1 12 . 1 1 27 27 GLY C C 27 174.990 174.990 175.988 -0.998 19750 4305 1 12 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.223 0.017 19750 4306 1 12 . 1 1 27 27 GLY H H 27 8.846 8.846 8.839 0.007 19750 4307 1 12 . 1 1 28 28 ILE N N 28 122.330 122.330 117.401 4.929 19750 4308 1 12 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.929 -0.317 19750 4309 1 12 . 1 1 28 28 ILE C C 28 178.030 178.030 177.229 0.801 19750 4310 1 12 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.043 0.817 19750 4311 1 12 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.486 -0.976 19750 4312 1 12 . 1 1 28 28 ILE H H 28 8.427 8.427 7.653 0.774 19750 4313 1 12 . 1 1 29 29 LYS N N 29 119.850 119.850 121.333 -1.483 19750 4314 1 12 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.933 0.089 19750 4315 1 12 . 1 1 29 29 LYS C C 29 180.050 180.050 178.891 1.159 19750 4316 1 12 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.274 -0.004 19750 4317 1 12 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.899 -1.219 19750 4318 1 12 . 1 1 29 29 LYS H H 29 7.993 7.993 7.504 0.489 19750 4319 1 12 . 1 1 30 30 GLN N N 30 118.870 118.870 118.166 0.704 19750 4320 1 12 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.088 -0.248 19750 4321 1 12 . 1 1 30 30 GLN C C 30 178.750 178.750 178.575 0.175 19750 4322 1 12 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.302 -1.142 19750 4323 1 12 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.464 -1.604 19750 4324 1 12 . 1 1 30 30 GLN H H 30 7.800 7.800 7.773 0.027 19750 4325 1 12 . 1 1 31 31 LEU N N 31 120.220 120.220 120.938 -0.718 19750 4326 1 12 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.150 -0.184 19750 4327 1 12 . 1 1 31 31 LEU C C 31 179.300 179.300 178.850 0.450 19750 4328 1 12 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.908 -0.698 19750 4329 1 12 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.747 -1.087 19750 4330 1 12 . 1 1 31 31 LEU H H 31 7.873 7.873 7.505 0.368 19750 4331 1 12 . 1 1 32 32 GLN N N 32 118.830 118.830 119.651 -0.821 19750 4332 1 12 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.850 0.093 19750 4333 1 12 . 1 1 32 32 GLN C C 32 177.910 177.910 178.024 -0.114 19750 4334 1 12 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.947 -0.727 19750 4335 1 12 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.620 -0.600 19750 4336 1 12 . 1 1 32 32 GLN H H 32 8.216 8.216 8.051 0.165 19750 4337 1 12 . 1 1 33 33 ALA N N 33 121.340 121.340 118.161 3.179 19750 4338 1 12 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.123 0.062 19750 4339 1 12 . 1 1 33 33 ALA C C 33 179.050 179.050 178.147 0.903 19750 4340 1 12 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.300 0.160 19750 4341 1 12 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.374 -0.654 19750 4342 1 12 . 1 1 33 33 ALA H H 33 7.647 7.647 7.517 0.130 19750 4343 1 12 . 1 1 34 34 ARG N N 34 117.580 117.580 118.064 -0.484 19750 4344 1 12 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.161 0.145 19750 4345 1 12 . 1 1 34 34 ARG C C 34 176.800 176.800 176.739 0.061 19750 4346 1 12 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.036 -0.806 19750 4347 1 12 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.591 -0.941 19750 4348 1 12 . 1 1 34 34 ARG H H 34 7.612 7.612 8.070 -0.458 19750 4349 1 12 . 1 1 35 35 SER N N 35 114.960 114.960 113.716 1.244 19750 4350 1 12 . 1 1 35 35 SER HA H 35 4.343 4.343 4.500 -0.157 19750 4351 1 12 . 1 1 35 35 SER C C 35 175.290 175.290 175.827 -0.537 19750 4352 1 12 . 1 1 35 35 SER CA C 35 58.930 58.930 58.059 0.871 19750 4353 1 12 . 1 1 35 35 SER CB C 35 63.370 63.370 64.593 -1.223 19750 4354 1 12 . 1 1 35 35 SER H H 35 7.827 7.827 7.588 0.239 19750 4355 1 12 . 1 1 36 36 GLY N N 36 110.340 110.340 110.470 -0.130 19750 4356 1 12 . 1 1 36 36 GLY C C 36 174.840 174.840 173.971 0.869 19750 4357 1 12 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.214 1.126 19750 4358 1 12 . 1 1 36 36 GLY H H 36 8.132 8.132 8.653 -0.521 19750 4359 1 12 . 1 1 37 37 GLY N N 37 108.880 108.880 107.031 1.849 19750 4360 1 12 . 1 1 37 37 GLY C C 37 174.400 174.400 174.610 -0.210 19750 4361 1 12 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.456 0.514 19750 4362 1 12 . 1 1 37 37 GLY H H 37 8.190 8.190 7.439 0.751 19750 4363 1 12 . 1 1 38 38 ARG N N 38 120.630 120.630 122.011 -1.381 19750 4364 1 12 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.529 -0.214 19750 4365 1 12 . 1 1 38 38 ARG C C 38 176.900 176.900 175.886 1.014 19750 4366 1 12 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.716 0.334 19750 4367 1 12 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.633 0.117 19750 4368 1 12 . 1 1 38 38 ARG H H 38 8.118 8.118 8.493 -0.375 19750 4369 1 12 . 1 1 39 39 GLY N N 39 109.360 109.360 108.709 0.651 19750 4370 1 12 . 1 1 39 39 GLY C C 39 174.690 174.690 173.885 0.805 19750 4371 1 12 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.620 0.500 19750 4372 1 12 . 1 1 39 39 GLY H H 39 8.374 8.374 8.188 0.186 19750 4373 1 12 . 1 1 40 40 GLY N N 40 109.060 109.060 107.612 1.448 19750 4374 1 12 . 1 1 40 40 GLY C C 40 174.680 174.680 174.046 0.634 19750 4375 1 12 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.876 0.204 19750 4376 1 12 . 1 1 40 40 GLY H H 40 7.995 7.995 8.393 -0.398 19750 4377 1 12 . 1 1 41 41 TRP N N 41 121.260 121.260 127.147 -5.887 19750 4378 1 12 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.799 -0.400 19750 4379 1 12 . 1 1 41 41 TRP C C 41 177.300 177.300 175.800 1.500 19750 4380 1 12 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.026 1.554 19750 4381 1 12 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.575 -1.885 19750 4382 1 12 . 1 1 41 41 TRP H H 41 8.176 8.176 8.950 -0.774 19750 4383 1 12 . 1 1 42 42 MET N N 42 118.570 118.570 119.954 -1.384 19750 4384 1 12 . 1 1 42 42 MET HA H 42 4.185 4.185 4.447 -0.262 19750 4385 1 12 . 1 1 42 42 MET C C 42 177.930 177.930 178.149 -0.219 19750 4386 1 12 . 1 1 42 42 MET CA C 42 57.460 57.460 58.396 -0.936 19750 4387 1 12 . 1 1 42 42 MET CB C 42 30.920 30.920 32.362 -1.442 19750 4388 1 12 . 1 1 42 42 MET H H 42 8.120 8.120 8.093 0.027 19750 4389 1 12 . 1 1 43 43 GLU N N 43 119.600 119.600 119.254 0.346 19750 4390 1 12 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.949 0.250 19750 4391 1 12 . 1 1 43 43 GLU C C 43 177.980 177.980 178.935 -0.955 19750 4392 1 12 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.240 -2.720 19750 4393 1 12 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.915 -1.355 19750 4394 1 12 . 1 1 43 43 GLU H H 43 7.834 7.834 8.961 -1.127 19750 4395 1 12 . 1 1 44 44 TRP N N 44 120.890 120.890 116.706 4.184 19750 4396 1 12 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.569 -0.077 19750 4397 1 12 . 1 1 44 44 TRP C C 44 177.480 177.480 177.533 -0.053 19750 4398 1 12 . 1 1 44 44 TRP CA C 44 58.960 58.960 57.409 1.551 19750 4399 1 12 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.357 0.063 19750 4400 1 12 . 1 1 44 44 TRP H H 44 7.824 7.824 8.050 -0.226 19750 4401 1 12 . 1 1 45 45 ASP N N 45 118.210 118.210 119.274 -1.064 19750 4402 1 12 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.673 -0.321 19750 4403 1 12 . 1 1 45 45 ASP C C 45 177.070 177.070 176.956 0.114 19750 4404 1 12 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.404 -0.454 19750 4405 1 12 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.793 -2.533 19750 4406 1 12 . 1 1 45 45 ASP H H 45 8.325 8.325 8.826 -0.501 19750 4407 1 12 . 1 1 46 46 ARG N N 46 119.510 119.510 119.556 -0.046 19750 4408 1 12 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.365 -0.264 19750 4409 1 12 . 1 1 46 46 ARG C C 46 178.410 178.410 177.931 0.479 19750 4410 1 12 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.213 0.227 19750 4411 1 12 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.263 -2.073 19750 4412 1 12 . 1 1 46 46 ARG H H 46 7.860 7.860 7.559 0.301 19750 4413 1 12 . 1 1 47 47 GLU N N 47 118.470 118.470 120.799 -2.329 19750 4414 1 12 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.177 0.110 19750 4415 1 12 . 1 1 47 47 GLU C C 47 178.170 178.170 178.610 -0.440 19750 4416 1 12 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.093 -1.283 19750 4417 1 12 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.489 -1.770 19750 4418 1 12 . 1 1 47 47 GLU H H 47 7.874 7.874 7.825 0.049 19750 4419 1 12 . 1 1 48 48 ILE N N 48 118.800 118.800 115.162 3.638 19750 4420 1 12 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.811 0.118 19750 4421 1 12 . 1 1 48 48 ILE C C 48 178.060 178.060 177.307 0.753 19750 4422 1 12 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.976 0.054 19750 4423 1 12 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.434 -0.445 19750 4424 1 12 . 1 1 48 48 ILE H H 48 8.199 8.199 7.600 0.599 19750 4425 1 12 . 1 1 49 49 ASN N N 49 119.580 119.580 118.967 0.613 19750 4426 1 12 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.682 -0.083 19750 4427 1 12 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 4428 1 12 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.530 0.170 19750 4429 1 12 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.187 -0.107 19750 4430 1 12 . 1 1 49 49 ASN H H 49 8.085 8.085 8.003 0.082 19750 4431 1 12 . 1 1 50 50 ASN N N 50 118.690 118.690 120.104 -1.414 19750 4432 1 12 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.428 0.106 19750 4433 1 12 . 1 1 50 50 ASN C C 50 177.120 177.120 177.340 -0.220 19750 4434 1 12 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.487 -1.427 19750 4435 1 12 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.566 -0.886 19750 4436 1 12 . 1 1 50 50 ASN H H 50 8.020 8.020 8.064 -0.044 19750 4437 1 12 . 1 1 51 51 TYR N N 51 118.430 118.430 117.973 0.457 19750 4438 1 12 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.463 0.071 19750 4439 1 12 . 1 1 51 51 TYR C C 51 177.480 177.480 176.221 1.259 19750 4440 1 12 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.079 0.351 19750 4441 1 12 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.730 -1.020 19750 4442 1 12 . 1 1 51 51 TYR H H 51 8.106 8.106 7.739 0.367 19750 4443 1 12 . 1 1 52 52 THR N N 52 114.470 114.470 115.115 -0.645 19750 4444 1 12 . 1 1 52 52 THR HA H 52 3.943 3.943 4.283 -0.340 19750 4445 1 12 . 1 1 52 52 THR C C 52 176.970 176.970 176.068 0.902 19750 4446 1 12 . 1 1 52 52 THR CA C 52 66.220 66.220 65.399 0.821 19750 4447 1 12 . 1 1 52 52 THR CB C 52 67.580 67.580 69.106 -1.526 19750 4448 1 12 . 1 1 52 52 THR H H 52 8.247 8.247 7.970 0.277 19750 4449 1 12 . 1 1 53 53 SER N N 53 118.260 118.260 118.521 -0.261 19750 4450 1 12 . 1 1 53 53 SER HA H 53 4.338 4.338 4.471 -0.133 19750 4451 1 12 . 1 1 53 53 SER C C 53 176.990 176.990 175.892 1.098 19750 4452 1 12 . 1 1 53 53 SER CA C 53 61.300 61.300 61.046 0.254 19750 4453 1 12 . 1 1 53 53 SER CB C 53 62.020 62.020 63.058 -1.038 19750 4454 1 12 . 1 1 53 53 SER H H 53 8.064 8.064 7.763 0.301 19750 4455 1 12 . 1 1 54 54 LEU N N 54 123.950 123.950 122.807 1.143 19750 4456 1 12 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.076 0.174 19750 4457 1 12 . 1 1 54 54 LEU C C 54 179.060 179.060 177.559 1.501 19750 4458 1 12 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.855 -0.165 19750 4459 1 12 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.128 -1.138 19750 4460 1 12 . 1 1 54 54 LEU H H 54 7.631 7.631 7.404 0.227 19750 4461 1 12 . 1 1 55 55 ILE N N 55 118.770 118.770 116.252 2.518 19750 4462 1 12 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.854 -0.135 19750 4463 1 12 . 1 1 55 55 ILE C C 55 177.570 177.570 176.756 0.814 19750 4464 1 12 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.132 2.388 19750 4465 1 12 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.770 -1.310 19750 4466 1 12 . 1 1 55 55 ILE H H 55 8.051 8.051 7.525 0.526 19750 4467 1 12 . 1 1 56 56 HIS N N 56 117.770 117.770 120.248 -2.478 19750 4468 1 12 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.448 -0.193 19750 4469 1 12 . 1 1 56 56 HIS C C 56 176.790 176.790 177.167 -0.377 19750 4470 1 12 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.904 0.187 19750 4471 1 12 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.840 -2.240 19750 4472 1 12 . 1 1 56 56 HIS H H 56 8.339 8.339 7.739 0.600 19750 4473 1 12 . 1 1 57 57 SER N N 57 115.350 115.350 115.357 -0.007 19750 4474 1 12 . 1 1 57 57 SER HA H 57 4.245 4.245 4.222 0.023 19750 4475 1 12 . 1 1 57 57 SER C C 57 175.990 175.990 175.964 0.026 19750 4476 1 12 . 1 1 57 57 SER CA C 57 61.580 61.580 62.123 -0.543 19750 4477 1 12 . 1 1 57 57 SER CB C 57 62.280 62.280 63.248 -0.968 19750 4478 1 12 . 1 1 57 57 SER H H 57 8.137 8.137 7.903 0.234 19750 4479 1 12 . 1 1 58 58 LEU N N 58 122.540 122.540 122.984 -0.444 19750 4480 1 12 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.125 0.037 19750 4481 1 12 . 1 1 58 58 LEU C C 58 178.930 178.930 178.194 0.736 19750 4482 1 12 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.370 -0.080 19750 4483 1 12 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.033 -0.843 19750 4484 1 12 . 1 1 58 58 LEU H H 58 7.914 7.914 7.547 0.367 19750 4485 1 12 . 1 1 59 59 ILE N N 59 118.010 118.010 118.766 -0.756 19750 4486 1 12 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.666 0.123 19750 4487 1 12 . 1 1 59 59 ILE C C 59 178.120 178.120 177.419 0.701 19750 4488 1 12 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.302 -1.472 19750 4489 1 12 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.993 -0.843 19750 4490 1 12 . 1 1 59 59 ILE H H 59 7.921 7.921 7.301 0.620 19750 4491 1 12 . 1 1 60 60 GLU N N 60 119.640 119.640 120.116 -0.476 19750 4492 1 12 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.813 0.321 19750 4493 1 12 . 1 1 60 60 GLU C C 60 177.950 177.950 178.148 -0.198 19750 4494 1 12 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.452 -1.892 19750 4495 1 12 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.546 -1.836 19750 4496 1 12 . 1 1 60 60 GLU H H 60 7.925 7.925 7.800 0.125 19750 4497 1 12 . 1 1 61 61 GLU N N 61 118.990 118.990 116.498 2.492 19750 4498 1 12 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.196 0.049 19750 4499 1 12 . 1 1 61 61 GLU C C 61 177.450 177.450 178.040 -0.590 19750 4500 1 12 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.282 -1.182 19750 4501 1 12 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.776 -2.155 19750 4502 1 12 . 1 1 61 61 GLU H H 61 8.048 8.048 7.769 0.279 19750 4503 1 12 . 1 1 62 62 SER N N 62 115.260 115.260 114.751 0.509 19750 4504 1 12 . 1 1 62 62 SER HA H 62 4.324 4.324 4.441 -0.117 19750 4505 1 12 . 1 1 62 62 SER C C 62 174.940 174.940 174.790 0.150 19750 4506 1 12 . 1 1 62 62 SER CA C 62 59.620 59.620 60.277 -0.657 19750 4507 1 12 . 1 1 62 62 SER CB C 62 63.130 63.130 63.809 -0.679 19750 4508 1 12 . 1 1 62 62 SER H H 62 7.893 7.893 7.539 0.354 19750 4509 1 12 . 1 1 63 63 GLN N N 63 120.400 120.400 121.379 -0.979 19750 4510 1 12 . 1 1 63 63 GLN C C 63 176.070 176.070 174.979 1.091 19750 4511 1 12 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.083 0.707 19750 4512 1 12 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.655 1.045 19750 4513 1 12 . 1 1 63 63 GLN H H 63 7.824 7.824 8.240 -0.416 19750 4514 1 12 . 1 1 64 64 ASN N N 64 119.180 119.180 122.919 -3.739 19750 4515 1 12 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.824 -0.129 19750 4516 1 12 . 1 1 64 64 ASN C C 64 175.300 175.300 175.044 0.256 19750 4517 1 12 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.881 0.399 19750 4518 1 12 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.898 -1.558 19750 4519 1 12 . 1 1 64 64 ASN H H 64 8.059 8.059 8.083 -0.024 19750 4520 1 12 . 1 1 65 65 GLN N N 65 120.740 120.740 122.030 -1.290 19750 4521 1 12 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.638 -0.318 19750 4522 1 12 . 1 1 65 65 GLN C C 65 175.890 175.890 174.742 1.148 19750 4523 1 12 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.349 0.351 19750 4524 1 12 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.630 -2.099 19750 4525 1 12 . 1 1 65 65 GLN H H 65 8.144 8.144 8.528 -0.384 19750 4526 1 12 . 1 1 66 66 GLN N N 66 121.070 121.070 121.446 -0.376 19750 4527 1 12 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.368 -0.048 19750 4528 1 12 . 1 1 66 66 GLN C C 66 175.840 175.840 175.163 0.677 19750 4529 1 12 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.209 -0.599 19750 4530 1 12 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.269 -1.599 19750 4531 1 12 . 1 1 66 66 GLN H H 66 8.199 8.199 8.706 -0.507 19750 4532 1 12 . 1 1 67 67 GLU N N 67 122.320 122.320 121.341 0.979 19750 4533 1 12 . 1 1 67 67 GLU C C 67 175.200 175.200 175.322 -0.122 19750 4534 1 12 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.502 -0.852 19750 4535 1 12 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.207 -1.797 19750 4536 1 12 . 1 1 67 67 GLU H H 67 8.194 8.194 8.478 -0.284 19750 4537 1 13 . 1 1 2 2 GLY N N 2 110.890 110.890 111.689 -0.799 19750 4538 1 13 . 1 1 2 2 GLY C C 2 174.890 174.890 174.626 0.264 19750 4539 1 13 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.995 0.555 19750 4540 1 13 . 1 1 2 2 GLY H H 2 8.294 8.294 7.925 0.369 19750 4541 1 13 . 1 1 3 3 ILE N N 3 120.800 120.800 120.827 -0.027 19750 4542 1 13 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.810 0.222 19750 4543 1 13 . 1 1 3 3 ILE C C 3 176.740 176.740 177.373 -0.633 19750 4544 1 13 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.130 -0.890 19750 4545 1 13 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.404 -0.944 19750 4546 1 13 . 1 1 3 3 ILE H H 3 7.861 7.861 8.202 -0.341 19750 4547 1 13 . 1 1 4 4 VAL N N 4 121.090 121.090 119.346 1.744 19750 4548 1 13 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.880 0.003 19750 4549 1 13 . 1 1 4 4 VAL C C 4 176.990 176.990 177.560 -0.570 19750 4550 1 13 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.322 -1.702 19750 4551 1 13 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.809 -0.639 19750 4552 1 13 . 1 1 4 4 VAL H H 4 7.857 7.857 7.713 0.144 19750 4553 1 13 . 1 1 5 5 GLN N N 5 121.380 121.380 120.042 1.338 19750 4554 1 13 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.908 0.327 19750 4555 1 13 . 1 1 5 5 GLN C C 5 176.960 176.960 178.112 -1.152 19750 4556 1 13 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.534 -2.784 19750 4557 1 13 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.088 0.162 19750 4558 1 13 . 1 1 5 5 GLN H H 5 8.051 8.051 8.677 -0.626 19750 4559 1 13 . 1 1 6 6 GLN N N 6 119.480 119.480 117.766 1.714 19750 4560 1 13 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.983 0.385 19750 4561 1 13 . 1 1 6 6 GLN C C 6 176.720 176.720 178.655 -1.935 19750 4562 1 13 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.935 -2.815 19750 4563 1 13 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.438 -0.218 19750 4564 1 13 . 1 1 6 6 GLN H H 6 8.018 8.018 7.699 0.319 19750 4565 1 13 . 1 1 7 7 GLN N N 7 120.360 120.360 118.862 1.498 19750 4566 1 13 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.031 0.158 19750 4567 1 13 . 1 1 7 7 GLN C C 7 176.180 176.180 178.719 -2.539 19750 4568 1 13 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.772 -1.922 19750 4569 1 13 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.348 -0.268 19750 4570 1 13 . 1 1 7 7 GLN H H 7 8.151 8.151 7.930 0.221 19750 4571 1 13 . 1 1 8 8 ASN N N 8 119.230 119.230 118.627 0.603 19750 4572 1 13 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.554 -0.102 19750 4573 1 13 . 1 1 8 8 ASN C C 8 176.300 176.300 177.658 -1.358 19750 4574 1 13 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.600 -0.800 19750 4575 1 13 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.163 0.037 19750 4576 1 13 . 1 1 8 8 ASN H H 8 8.256 8.256 8.792 -0.536 19750 4577 1 13 . 1 1 9 9 ASN N N 9 119.840 119.840 119.879 -0.039 19750 4578 1 13 . 1 1 9 9 ASN C C 9 177.150 177.150 177.491 -0.341 19750 4579 1 13 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.210 -0.270 19750 4580 1 13 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.350 -0.670 19750 4581 1 13 . 1 1 9 9 ASN H H 9 8.319 8.319 8.472 -0.153 19750 4582 1 13 . 1 1 10 10 LEU N N 10 122.900 122.900 122.145 0.755 19750 4583 1 13 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.031 0.103 19750 4584 1 13 . 1 1 10 10 LEU C C 10 178.050 178.050 178.287 -0.237 19750 4585 1 13 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.229 -0.539 19750 4586 1 13 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.017 -1.257 19750 4587 1 13 . 1 1 10 10 LEU H H 10 8.194 8.194 8.151 0.043 19750 4588 1 13 . 1 1 11 11 LEU N N 11 118.800 118.800 118.245 0.555 19750 4589 1 13 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.969 0.039 19750 4590 1 13 . 1 1 11 11 LEU C C 11 178.830 178.830 178.880 -0.050 19750 4591 1 13 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.486 0.184 19750 4592 1 13 . 1 1 11 11 LEU CB C 11 40.230 40.230 42.011 -1.781 19750 4593 1 13 . 1 1 11 11 LEU H H 11 8.030 8.030 7.402 0.628 19750 4594 1 13 . 1 1 12 12 ARG N N 12 117.710 117.710 118.235 -0.525 19750 4595 1 13 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.006 0.007 19750 4596 1 13 . 1 1 12 12 ARG C C 12 178.840 178.840 178.597 0.243 19750 4597 1 13 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.089 -0.469 19750 4598 1 13 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.074 -1.024 19750 4599 1 13 . 1 1 12 12 ARG H H 12 7.845 7.845 7.512 0.333 19750 4600 1 13 . 1 1 13 13 ALA N N 13 121.870 121.870 121.389 0.481 19750 4601 1 13 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.105 0.089 19750 4602 1 13 . 1 1 13 13 ALA C C 13 180.040 180.040 178.889 1.151 19750 4603 1 13 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.807 -0.327 19750 4604 1 13 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.296 -0.796 19750 4605 1 13 . 1 1 13 13 ALA H H 13 7.681 7.681 8.544 -0.863 19750 4606 1 13 . 1 1 14 14 ILE N N 14 118.010 118.010 117.871 0.139 19750 4607 1 13 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.732 0.001 19750 4608 1 13 . 1 1 14 14 ILE C C 14 177.760 177.760 178.255 -0.495 19750 4609 1 13 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.968 -0.628 19750 4610 1 13 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.468 -1.268 19750 4611 1 13 . 1 1 14 14 ILE H H 14 7.975 7.975 7.286 0.689 19750 4612 1 13 . 1 1 15 15 GLU N N 15 117.430 117.430 118.451 -1.021 19750 4613 1 13 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.461 -0.509 19750 4614 1 13 . 1 1 15 15 GLU C C 15 177.030 177.030 178.675 -1.645 19750 4615 1 13 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.865 -0.945 19750 4616 1 13 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.884 -2.463 19750 4617 1 13 . 1 1 15 15 GLU H H 15 8.110 8.110 8.115 -0.005 19750 4618 1 13 . 1 1 16 16 ALA N N 16 119.580 119.580 121.232 -1.652 19750 4619 1 13 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.276 0.067 19750 4620 1 13 . 1 1 16 16 ALA C C 16 178.570 178.570 176.832 1.738 19750 4621 1 13 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.860 -0.210 19750 4622 1 13 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.006 1.074 19750 4623 1 13 . 1 1 16 16 ALA H H 16 7.457 7.457 8.160 -0.703 19750 4624 1 13 . 1 1 17 17 GLN N N 17 118.840 118.840 113.889 4.951 19750 4625 1 13 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.463 -0.032 19750 4626 1 13 . 1 1 17 17 GLN C C 17 176.160 176.160 176.305 -0.145 19750 4627 1 13 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.581 -0.951 19750 4628 1 13 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.337 -2.957 19750 4629 1 13 . 1 1 17 17 GLN H H 17 7.642 7.642 8.138 -0.496 19750 4630 1 13 . 1 1 18 18 GLN N N 18 120.730 120.730 120.975 -0.245 19750 4631 1 13 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.950 0.067 19750 4632 1 13 . 1 1 18 18 GLN C C 18 177.480 177.480 177.463 0.017 19750 4633 1 13 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.474 -1.184 19750 4634 1 13 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.735 -0.615 19750 4635 1 13 . 1 1 18 18 GLN H H 18 7.975 7.975 7.636 0.339 19750 4636 1 13 . 1 1 19 19 HIS N N 19 117.470 117.470 118.751 -1.281 19750 4637 1 13 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.388 0.286 19750 4638 1 13 . 1 1 19 19 HIS C C 19 176.330 176.330 177.475 -1.145 19750 4639 1 13 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.569 -2.609 19750 4640 1 13 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.493 -2.073 19750 4641 1 13 . 1 1 19 19 HIS H H 19 8.697 8.697 8.460 0.237 19750 4642 1 13 . 1 1 20 20 LEU N N 20 120.410 120.410 121.692 -1.282 19750 4643 1 13 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.132 -0.082 19750 4644 1 13 . 1 1 20 20 LEU C C 20 179.680 179.680 178.208 1.472 19750 4645 1 13 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.529 0.211 19750 4646 1 13 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.070 -0.240 19750 4647 1 13 . 1 1 20 20 LEU H H 20 8.026 8.026 8.365 -0.339 19750 4648 1 13 . 1 1 21 21 LEU N N 21 121.930 121.930 119.538 2.392 19750 4649 1 13 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.957 0.102 19750 4650 1 13 . 1 1 21 21 LEU C C 21 178.540 178.540 179.292 -0.752 19750 4651 1 13 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.718 -0.588 19750 4652 1 13 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.688 -0.558 19750 4653 1 13 . 1 1 21 21 LEU H H 21 8.433 8.433 7.593 0.840 19750 4654 1 13 . 1 1 22 22 GLN N N 22 118.540 118.540 117.944 0.596 19750 4655 1 13 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.126 -0.113 19750 4656 1 13 . 1 1 22 22 GLN C C 22 179.430 179.430 178.738 0.692 19750 4657 1 13 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.809 0.090 19750 4658 1 13 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.374 -0.904 19750 4659 1 13 . 1 1 22 22 GLN H H 22 8.087 8.087 7.640 0.447 19750 4660 1 13 . 1 1 23 23 LEU N N 23 120.750 120.750 120.659 0.091 19750 4661 1 13 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.044 0.187 19750 4662 1 13 . 1 1 23 23 LEU C C 23 178.420 178.420 178.927 -0.507 19750 4663 1 13 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.063 -0.433 19750 4664 1 13 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.116 -0.826 19750 4665 1 13 . 1 1 23 23 LEU H H 23 8.013 8.013 8.775 -0.762 19750 4666 1 13 . 1 1 24 24 THR N N 24 116.790 116.790 115.831 0.959 19750 4667 1 13 . 1 1 24 24 THR C C 24 176.180 176.180 176.721 -0.541 19750 4668 1 13 . 1 1 24 24 THR H H 24 8.024 8.024 8.306 -0.282 19750 4669 1 13 . 1 1 25 25 VAL N N 25 121.130 121.130 121.405 -0.275 19750 4670 1 13 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.918 -0.343 19750 4671 1 13 . 1 1 25 25 VAL C C 25 177.600 177.600 177.889 -0.289 19750 4672 1 13 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.279 0.541 19750 4673 1 13 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.592 -0.762 19750 4674 1 13 . 1 1 25 25 VAL H H 25 8.068 8.068 7.540 0.528 19750 4675 1 13 . 1 1 26 26 TRP N N 26 120.520 120.520 120.371 0.149 19750 4676 1 13 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.737 -0.557 19750 4677 1 13 . 1 1 26 26 TRP C C 26 178.700 178.700 178.581 0.119 19750 4678 1 13 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.454 0.976 19750 4679 1 13 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.970 -1.230 19750 4680 1 13 . 1 1 26 26 TRP H H 26 7.983 7.983 8.953 -0.970 19750 4681 1 13 . 1 1 27 27 GLY N N 27 107.880 107.880 108.363 -0.483 19750 4682 1 13 . 1 1 27 27 GLY C C 27 174.990 174.990 175.849 -0.859 19750 4683 1 13 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.114 0.126 19750 4684 1 13 . 1 1 27 27 GLY H H 27 8.846 8.846 8.705 0.141 19750 4685 1 13 . 1 1 28 28 ILE N N 28 122.330 122.330 117.507 4.823 19750 4686 1 13 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.953 -0.341 19750 4687 1 13 . 1 1 28 28 ILE C C 28 178.030 178.030 177.253 0.777 19750 4688 1 13 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.973 0.887 19750 4689 1 13 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.529 -1.018 19750 4690 1 13 . 1 1 28 28 ILE H H 28 8.427 8.427 7.572 0.855 19750 4691 1 13 . 1 1 29 29 LYS N N 29 119.850 119.850 121.364 -1.514 19750 4692 1 13 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.964 0.058 19750 4693 1 13 . 1 1 29 29 LYS C C 29 180.050 180.050 178.758 1.292 19750 4694 1 13 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.206 0.064 19750 4695 1 13 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.946 -1.266 19750 4696 1 13 . 1 1 29 29 LYS H H 29 7.993 7.993 7.463 0.530 19750 4697 1 13 . 1 1 30 30 GLN N N 30 118.870 118.870 118.255 0.615 19750 4698 1 13 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.065 -0.225 19750 4699 1 13 . 1 1 30 30 GLN C C 30 178.750 178.750 178.588 0.162 19750 4700 1 13 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.408 -1.248 19750 4701 1 13 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.433 -1.573 19750 4702 1 13 . 1 1 30 30 GLN H H 30 7.800 7.800 7.776 0.024 19750 4703 1 13 . 1 1 31 31 LEU N N 31 120.220 120.220 120.442 -0.222 19750 4704 1 13 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.171 -0.205 19750 4705 1 13 . 1 1 31 31 LEU C C 31 179.300 179.300 178.805 0.495 19750 4706 1 13 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.842 -0.632 19750 4707 1 13 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.755 -1.095 19750 4708 1 13 . 1 1 31 31 LEU H H 31 7.873 7.873 7.483 0.390 19750 4709 1 13 . 1 1 32 32 GLN N N 32 118.830 118.830 119.768 -0.938 19750 4710 1 13 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.870 0.073 19750 4711 1 13 . 1 1 32 32 GLN C C 32 177.910 177.910 178.284 -0.374 19750 4712 1 13 . 1 1 32 32 GLN CA C 32 58.220 58.220 59.003 -0.783 19750 4713 1 13 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.544 -0.524 19750 4714 1 13 . 1 1 32 32 GLN H H 32 8.216 8.216 7.969 0.247 19750 4715 1 13 . 1 1 33 33 ALA N N 33 121.340 121.340 119.358 1.982 19750 4716 1 13 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.108 0.077 19750 4717 1 13 . 1 1 33 33 ALA C C 33 179.050 179.050 177.921 1.129 19750 4718 1 13 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.538 -0.078 19750 4719 1 13 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.334 -0.614 19750 4720 1 13 . 1 1 33 33 ALA H H 33 7.647 7.647 7.632 0.015 19750 4721 1 13 . 1 1 34 34 ARG N N 34 117.580 117.580 117.887 -0.307 19750 4722 1 13 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.146 0.160 19750 4723 1 13 . 1 1 34 34 ARG C C 34 176.800 176.800 176.723 0.077 19750 4724 1 13 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.069 -0.839 19750 4725 1 13 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.570 -0.920 19750 4726 1 13 . 1 1 34 34 ARG H H 34 7.612 7.612 8.003 -0.391 19750 4727 1 13 . 1 1 35 35 SER N N 35 114.960 114.960 113.619 1.341 19750 4728 1 13 . 1 1 35 35 SER HA H 35 4.343 4.343 4.534 -0.191 19750 4729 1 13 . 1 1 35 35 SER C C 35 175.290 175.290 175.845 -0.555 19750 4730 1 13 . 1 1 35 35 SER CA C 35 58.930 58.930 57.798 1.131 19750 4731 1 13 . 1 1 35 35 SER CB C 35 63.370 63.370 64.546 -1.177 19750 4732 1 13 . 1 1 35 35 SER H H 35 7.827 7.827 7.598 0.229 19750 4733 1 13 . 1 1 36 36 GLY N N 36 110.340 110.340 110.547 -0.207 19750 4734 1 13 . 1 1 36 36 GLY C C 36 174.840 174.840 174.039 0.801 19750 4735 1 13 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.179 1.161 19750 4736 1 13 . 1 1 36 36 GLY H H 36 8.132 8.132 8.689 -0.557 19750 4737 1 13 . 1 1 37 37 GLY N N 37 108.880 108.880 106.992 1.888 19750 4738 1 13 . 1 1 37 37 GLY C C 37 174.400 174.400 174.535 -0.135 19750 4739 1 13 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.479 0.491 19750 4740 1 13 . 1 1 37 37 GLY H H 37 8.190 8.190 7.425 0.765 19750 4741 1 13 . 1 1 38 38 ARG N N 38 120.630 120.630 121.636 -1.006 19750 4742 1 13 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.521 -0.206 19750 4743 1 13 . 1 1 38 38 ARG C C 38 176.900 176.900 175.687 1.213 19750 4744 1 13 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.627 0.423 19750 4745 1 13 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.016 -0.266 19750 4746 1 13 . 1 1 38 38 ARG H H 38 8.118 8.118 8.346 -0.228 19750 4747 1 13 . 1 1 39 39 GLY N N 39 109.360 109.360 108.723 0.637 19750 4748 1 13 . 1 1 39 39 GLY C C 39 174.690 174.690 174.197 0.493 19750 4749 1 13 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.947 0.173 19750 4750 1 13 . 1 1 39 39 GLY H H 39 8.374 8.374 8.092 0.282 19750 4751 1 13 . 1 1 40 40 GLY N N 40 109.060 109.060 108.224 0.836 19750 4752 1 13 . 1 1 40 40 GLY C C 40 174.680 174.680 174.334 0.346 19750 4753 1 13 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.599 0.481 19750 4754 1 13 . 1 1 40 40 GLY H H 40 7.995 7.995 8.549 -0.554 19750 4755 1 13 . 1 1 41 41 TRP N N 41 121.260 121.260 127.598 -6.338 19750 4756 1 13 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.730 -0.331 19750 4757 1 13 . 1 1 41 41 TRP C C 41 177.300 177.300 176.330 0.970 19750 4758 1 13 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.407 1.173 19750 4759 1 13 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.823 -2.133 19750 4760 1 13 . 1 1 41 41 TRP H H 41 8.176 8.176 8.955 -0.779 19750 4761 1 13 . 1 1 42 42 MET N N 42 118.570 118.570 120.421 -1.851 19750 4762 1 13 . 1 1 42 42 MET HA H 42 4.185 4.185 4.092 0.093 19750 4763 1 13 . 1 1 42 42 MET C C 42 177.930 177.930 178.371 -0.441 19750 4764 1 13 . 1 1 42 42 MET CA C 42 57.460 57.460 58.832 -1.372 19750 4765 1 13 . 1 1 42 42 MET CB C 42 30.920 30.920 32.284 -1.364 19750 4766 1 13 . 1 1 42 42 MET H H 42 8.120 8.120 8.350 -0.230 19750 4767 1 13 . 1 1 43 43 GLU N N 43 119.600 119.600 118.814 0.786 19750 4768 1 13 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.955 0.244 19750 4769 1 13 . 1 1 43 43 GLU C C 43 177.980 177.980 178.687 -0.707 19750 4770 1 13 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.037 -2.517 19750 4771 1 13 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.959 -1.399 19750 4772 1 13 . 1 1 43 43 GLU H H 43 7.834 7.834 8.754 -0.920 19750 4773 1 13 . 1 1 44 44 TRP N N 44 120.890 120.890 117.232 3.658 19750 4774 1 13 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.393 0.099 19750 4775 1 13 . 1 1 44 44 TRP C C 44 177.480 177.480 177.681 -0.201 19750 4776 1 13 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.010 -0.050 19750 4777 1 13 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.569 -0.149 19750 4778 1 13 . 1 1 44 44 TRP H H 44 7.824 7.824 8.516 -0.692 19750 4779 1 13 . 1 1 45 45 ASP N N 45 118.210 118.210 117.809 0.401 19750 4780 1 13 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.639 -0.287 19750 4781 1 13 . 1 1 45 45 ASP C C 45 177.070 177.070 176.948 0.122 19750 4782 1 13 . 1 1 45 45 ASP CA C 45 55.950 55.950 55.956 -0.006 19750 4783 1 13 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.625 -2.365 19750 4784 1 13 . 1 1 45 45 ASP H H 45 8.325 8.325 7.894 0.431 19750 4785 1 13 . 1 1 46 46 ARG N N 46 119.510 119.510 119.826 -0.316 19750 4786 1 13 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.361 -0.260 19750 4787 1 13 . 1 1 46 46 ARG C C 46 178.410 178.410 177.972 0.438 19750 4788 1 13 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.237 0.203 19750 4789 1 13 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.271 -2.081 19750 4790 1 13 . 1 1 46 46 ARG H H 46 7.860 7.860 8.223 -0.363 19750 4791 1 13 . 1 1 47 47 GLU N N 47 118.470 118.470 120.899 -2.429 19750 4792 1 13 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.164 0.123 19750 4793 1 13 . 1 1 47 47 GLU C C 47 178.170 178.170 178.629 -0.459 19750 4794 1 13 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.117 -1.307 19750 4795 1 13 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.462 -1.742 19750 4796 1 13 . 1 1 47 47 GLU H H 47 7.874 7.874 7.672 0.202 19750 4797 1 13 . 1 1 48 48 ILE N N 48 118.800 118.800 115.122 3.678 19750 4798 1 13 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.799 0.130 19750 4799 1 13 . 1 1 48 48 ILE C C 48 178.060 178.060 177.305 0.755 19750 4800 1 13 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.997 0.033 19750 4801 1 13 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.429 -0.439 19750 4802 1 13 . 1 1 48 48 ILE H H 48 8.199 8.199 7.584 0.615 19750 4803 1 13 . 1 1 49 49 ASN N N 49 119.580 119.580 118.959 0.621 19750 4804 1 13 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.675 -0.076 19750 4805 1 13 . 1 1 49 49 ASN C C 49 177.110 177.110 177.063 0.047 19750 4806 1 13 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.526 0.174 19750 4807 1 13 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.181 -0.101 19750 4808 1 13 . 1 1 49 49 ASN H H 49 8.085 8.085 7.993 0.092 19750 4809 1 13 . 1 1 50 50 ASN N N 50 118.690 118.690 120.097 -1.407 19750 4810 1 13 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.423 0.111 19750 4811 1 13 . 1 1 50 50 ASN C C 50 177.120 177.120 177.335 -0.215 19750 4812 1 13 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.482 -1.422 19750 4813 1 13 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.559 -0.879 19750 4814 1 13 . 1 1 50 50 ASN H H 50 8.020 8.020 8.055 -0.035 19750 4815 1 13 . 1 1 51 51 TYR N N 51 118.430 118.430 117.963 0.467 19750 4816 1 13 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.459 0.075 19750 4817 1 13 . 1 1 51 51 TYR C C 51 177.480 177.480 176.215 1.265 19750 4818 1 13 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.073 0.357 19750 4819 1 13 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.725 -1.015 19750 4820 1 13 . 1 1 51 51 TYR H H 51 8.106 8.106 7.731 0.375 19750 4821 1 13 . 1 1 52 52 THR N N 52 114.470 114.470 115.104 -0.634 19750 4822 1 13 . 1 1 52 52 THR HA H 52 3.943 3.943 4.278 -0.335 19750 4823 1 13 . 1 1 52 52 THR C C 52 176.970 176.970 176.060 0.910 19750 4824 1 13 . 1 1 52 52 THR CA C 52 66.220 66.220 65.392 0.828 19750 4825 1 13 . 1 1 52 52 THR CB C 52 67.580 67.580 69.099 -1.519 19750 4826 1 13 . 1 1 52 52 THR H H 52 8.247 8.247 7.964 0.283 19750 4827 1 13 . 1 1 53 53 SER N N 53 118.260 118.260 118.498 -0.238 19750 4828 1 13 . 1 1 53 53 SER HA H 53 4.338 4.338 4.461 -0.123 19750 4829 1 13 . 1 1 53 53 SER C C 53 176.990 176.990 175.885 1.105 19750 4830 1 13 . 1 1 53 53 SER CA C 53 61.300 61.300 61.007 0.293 19750 4831 1 13 . 1 1 53 53 SER CB C 53 62.020 62.020 63.071 -1.051 19750 4832 1 13 . 1 1 53 53 SER H H 53 8.064 8.064 7.753 0.311 19750 4833 1 13 . 1 1 54 54 LEU N N 54 123.950 123.950 123.013 0.937 19750 4834 1 13 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.076 0.174 19750 4835 1 13 . 1 1 54 54 LEU C C 54 179.060 179.060 177.722 1.338 19750 4836 1 13 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.665 0.025 19750 4837 1 13 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.150 -1.160 19750 4838 1 13 . 1 1 54 54 LEU H H 54 7.631 7.631 7.365 0.266 19750 4839 1 13 . 1 1 55 55 ILE N N 55 118.770 118.770 116.387 2.383 19750 4840 1 13 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.857 -0.138 19750 4841 1 13 . 1 1 55 55 ILE C C 55 177.570 177.570 176.684 0.886 19750 4842 1 13 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.137 2.383 19750 4843 1 13 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.762 -1.302 19750 4844 1 13 . 1 1 55 55 ILE H H 55 8.051 8.051 7.521 0.530 19750 4845 1 13 . 1 1 56 56 HIS N N 56 117.770 117.770 120.468 -2.698 19750 4846 1 13 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.434 -0.179 19750 4847 1 13 . 1 1 56 56 HIS C C 56 176.790 176.790 177.183 -0.393 19750 4848 1 13 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.109 -0.019 19750 4849 1 13 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.632 -2.032 19750 4850 1 13 . 1 1 56 56 HIS H H 56 8.339 8.339 7.771 0.568 19750 4851 1 13 . 1 1 57 57 SER N N 57 115.350 115.350 115.588 -0.238 19750 4852 1 13 . 1 1 57 57 SER HA H 57 4.245 4.245 4.199 0.046 19750 4853 1 13 . 1 1 57 57 SER C C 57 175.990 175.990 176.046 -0.056 19750 4854 1 13 . 1 1 57 57 SER CA C 57 61.580 61.580 61.666 -0.086 19750 4855 1 13 . 1 1 57 57 SER CB C 57 62.280 62.280 62.750 -0.470 19750 4856 1 13 . 1 1 57 57 SER H H 57 8.137 8.137 7.780 0.357 19750 4857 1 13 . 1 1 58 58 LEU N N 58 122.540 122.540 123.217 -0.677 19750 4858 1 13 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.077 0.085 19750 4859 1 13 . 1 1 58 58 LEU C C 58 178.930 178.930 178.672 0.258 19750 4860 1 13 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.707 -0.417 19750 4861 1 13 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.109 -0.919 19750 4862 1 13 . 1 1 58 58 LEU H H 58 7.914 7.914 7.569 0.345 19750 4863 1 13 . 1 1 59 59 ILE N N 59 118.010 118.010 119.252 -1.242 19750 4864 1 13 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.544 0.245 19750 4865 1 13 . 1 1 59 59 ILE C C 59 178.120 178.120 177.491 0.629 19750 4866 1 13 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.888 -2.058 19750 4867 1 13 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.807 -0.657 19750 4868 1 13 . 1 1 59 59 ILE H H 59 7.921 7.921 7.460 0.461 19750 4869 1 13 . 1 1 60 60 GLU N N 60 119.640 119.640 118.734 0.906 19750 4870 1 13 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.811 0.323 19750 4871 1 13 . 1 1 60 60 GLU C C 60 177.950 177.950 177.887 0.063 19750 4872 1 13 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.112 -1.552 19750 4873 1 13 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.396 -1.686 19750 4874 1 13 . 1 1 60 60 GLU H H 60 7.925 7.925 7.732 0.193 19750 4875 1 13 . 1 1 61 61 GLU N N 61 118.990 118.990 116.912 2.078 19750 4876 1 13 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.257 -0.012 19750 4877 1 13 . 1 1 61 61 GLU C C 61 177.450 177.450 178.073 -0.623 19750 4878 1 13 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.136 -1.036 19750 4879 1 13 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.973 -2.353 19750 4880 1 13 . 1 1 61 61 GLU H H 61 8.048 8.048 7.569 0.479 19750 4881 1 13 . 1 1 62 62 SER N N 62 115.260 115.260 115.422 -0.162 19750 4882 1 13 . 1 1 62 62 SER HA H 62 4.324 4.324 4.389 -0.065 19750 4883 1 13 . 1 1 62 62 SER C C 62 174.940 174.940 175.102 -0.162 19750 4884 1 13 . 1 1 62 62 SER CA C 62 59.620 59.620 60.466 -0.846 19750 4885 1 13 . 1 1 62 62 SER CB C 62 63.130 63.130 63.698 -0.568 19750 4886 1 13 . 1 1 62 62 SER H H 62 7.893 7.893 7.730 0.163 19750 4887 1 13 . 1 1 63 63 GLN N N 63 120.400 120.400 120.818 -0.418 19750 4888 1 13 . 1 1 63 63 GLN C C 63 176.070 176.070 175.121 0.949 19750 4889 1 13 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.258 0.532 19750 4890 1 13 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.637 1.062 19750 4891 1 13 . 1 1 63 63 GLN H H 63 7.824 7.824 8.015 -0.191 19750 4892 1 13 . 1 1 64 64 ASN N N 64 119.180 119.180 123.109 -3.929 19750 4893 1 13 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.793 -0.098 19750 4894 1 13 . 1 1 64 64 ASN C C 64 175.300 175.300 174.998 0.302 19750 4895 1 13 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.807 0.473 19750 4896 1 13 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.897 -1.557 19750 4897 1 13 . 1 1 64 64 ASN H H 64 8.059 8.059 8.112 -0.053 19750 4898 1 13 . 1 1 65 65 GLN N N 65 120.740 120.740 122.096 -1.356 19750 4899 1 13 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.638 -0.318 19750 4900 1 13 . 1 1 65 65 GLN C C 65 175.890 175.890 174.767 1.123 19750 4901 1 13 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.347 0.353 19750 4902 1 13 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.599 -2.069 19750 4903 1 13 . 1 1 65 65 GLN H H 65 8.144 8.144 8.525 -0.381 19750 4904 1 13 . 1 1 66 66 GLN N N 66 121.070 121.070 121.498 -0.428 19750 4905 1 13 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.368 -0.048 19750 4906 1 13 . 1 1 66 66 GLN C C 66 175.840 175.840 175.189 0.651 19750 4907 1 13 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.218 -0.608 19750 4908 1 13 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.286 -1.616 19750 4909 1 13 . 1 1 66 66 GLN H H 66 8.199 8.199 8.702 -0.503 19750 4910 1 13 . 1 1 67 67 GLU N N 67 122.320 122.320 121.314 1.006 19750 4911 1 13 . 1 1 67 67 GLU C C 67 175.200 175.200 175.361 -0.161 19750 4912 1 13 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.505 -0.855 19750 4913 1 13 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.194 -1.784 19750 4914 1 13 . 1 1 67 67 GLU H H 67 8.194 8.194 8.481 -0.287 19750 4915 1 14 . 1 1 2 2 GLY N N 2 110.890 110.890 111.667 -0.777 19750 4916 1 14 . 1 1 2 2 GLY C C 2 174.890 174.890 174.483 0.407 19750 4917 1 14 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.284 0.266 19750 4918 1 14 . 1 1 2 2 GLY H H 2 8.294 8.294 8.037 0.257 19750 4919 1 14 . 1 1 3 3 ILE N N 3 120.800 120.800 120.939 -0.139 19750 4920 1 14 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.845 0.187 19750 4921 1 14 . 1 1 3 3 ILE C C 3 176.740 176.740 177.572 -0.832 19750 4922 1 14 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.009 -0.769 19750 4923 1 14 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.439 -0.979 19750 4924 1 14 . 1 1 3 3 ILE H H 3 7.861 7.861 8.158 -0.297 19750 4925 1 14 . 1 1 4 4 VAL N N 4 121.090 121.090 118.481 2.609 19750 4926 1 14 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.750 0.133 19750 4927 1 14 . 1 1 4 4 VAL C C 4 176.990 176.990 177.640 -0.650 19750 4928 1 14 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.605 -1.985 19750 4929 1 14 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.878 -0.708 19750 4930 1 14 . 1 1 4 4 VAL H H 4 7.857 7.857 7.769 0.088 19750 4931 1 14 . 1 1 5 5 GLN N N 5 121.380 121.380 119.209 2.171 19750 4932 1 14 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.837 0.398 19750 4933 1 14 . 1 1 5 5 GLN C C 5 176.960 176.960 178.057 -1.097 19750 4934 1 14 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.487 -2.737 19750 4935 1 14 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.131 0.119 19750 4936 1 14 . 1 1 5 5 GLN H H 5 8.051 8.051 8.463 -0.412 19750 4937 1 14 . 1 1 6 6 GLN N N 6 119.480 119.480 118.109 1.371 19750 4938 1 14 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.922 0.446 19750 4939 1 14 . 1 1 6 6 GLN C C 6 176.720 176.720 178.706 -1.986 19750 4940 1 14 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.997 -2.877 19750 4941 1 14 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.366 -0.146 19750 4942 1 14 . 1 1 6 6 GLN H H 6 8.018 8.018 7.733 0.285 19750 4943 1 14 . 1 1 7 7 GLN N N 7 120.360 120.360 117.989 2.371 19750 4944 1 14 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.043 0.146 19750 4945 1 14 . 1 1 7 7 GLN C C 7 176.180 176.180 178.733 -2.553 19750 4946 1 14 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.614 -1.764 19750 4947 1 14 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.359 -0.279 19750 4948 1 14 . 1 1 7 7 GLN H H 7 8.151 8.151 7.680 0.471 19750 4949 1 14 . 1 1 8 8 ASN N N 8 119.230 119.230 118.947 0.283 19750 4950 1 14 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.624 -0.172 19750 4951 1 14 . 1 1 8 8 ASN C C 8 176.300 176.300 177.553 -1.253 19750 4952 1 14 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.458 -0.658 19750 4953 1 14 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.385 -0.185 19750 4954 1 14 . 1 1 8 8 ASN H H 8 8.256 8.256 8.540 -0.284 19750 4955 1 14 . 1 1 9 9 ASN N N 9 119.840 119.840 120.357 -0.517 19750 4956 1 14 . 1 1 9 9 ASN C C 9 177.150 177.150 177.460 -0.310 19750 4957 1 14 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.444 -0.504 19750 4958 1 14 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.312 -0.632 19750 4959 1 14 . 1 1 9 9 ASN H H 9 8.319 8.319 8.752 -0.433 19750 4960 1 14 . 1 1 10 10 LEU N N 10 122.900 122.900 121.832 1.068 19750 4961 1 14 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.045 0.089 19750 4962 1 14 . 1 1 10 10 LEU C C 10 178.050 178.050 178.129 -0.079 19750 4963 1 14 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.379 -0.689 19750 4964 1 14 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.021 -1.261 19750 4965 1 14 . 1 1 10 10 LEU H H 10 8.194 8.194 8.315 -0.121 19750 4966 1 14 . 1 1 11 11 LEU N N 11 118.800 118.800 117.209 1.591 19750 4967 1 14 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.050 -0.042 19750 4968 1 14 . 1 1 11 11 LEU C C 11 178.830 178.830 178.783 0.047 19750 4969 1 14 . 1 1 11 11 LEU CA C 11 57.670 57.670 56.910 0.760 19750 4970 1 14 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.900 -1.670 19750 4971 1 14 . 1 1 11 11 LEU H H 11 8.030 8.030 7.584 0.446 19750 4972 1 14 . 1 1 12 12 ARG N N 12 117.710 117.710 118.575 -0.865 19750 4973 1 14 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.126 -0.113 19750 4974 1 14 . 1 1 12 12 ARG C C 12 178.840 178.840 178.446 0.394 19750 4975 1 14 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.744 -0.124 19750 4976 1 14 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.334 -1.284 19750 4977 1 14 . 1 1 12 12 ARG H H 12 7.845 7.845 7.421 0.424 19750 4978 1 14 . 1 1 13 13 ALA N N 13 121.870 121.870 122.776 -0.906 19750 4979 1 14 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.090 0.104 19750 4980 1 14 . 1 1 13 13 ALA C C 13 180.040 180.040 179.144 0.896 19750 4981 1 14 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.894 -0.414 19750 4982 1 14 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.331 -0.831 19750 4983 1 14 . 1 1 13 13 ALA H H 13 7.681 7.681 8.584 -0.903 19750 4984 1 14 . 1 1 14 14 ILE N N 14 118.010 118.010 118.889 -0.879 19750 4985 1 14 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.654 0.079 19750 4986 1 14 . 1 1 14 14 ILE C C 14 177.760 177.760 178.414 -0.654 19750 4987 1 14 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.165 -0.825 19750 4988 1 14 . 1 1 14 14 ILE CB C 14 37.200 37.200 37.971 -0.771 19750 4989 1 14 . 1 1 14 14 ILE H H 14 7.975 7.975 7.582 0.393 19750 4990 1 14 . 1 1 15 15 GLU N N 15 117.430 117.430 118.940 -1.510 19750 4991 1 14 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.407 -0.455 19750 4992 1 14 . 1 1 15 15 GLU C C 15 177.030 177.030 177.911 -0.881 19750 4993 1 14 . 1 1 15 15 GLU CA C 15 57.920 57.920 59.056 -1.136 19750 4994 1 14 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.418 -1.998 19750 4995 1 14 . 1 1 15 15 GLU H H 15 8.110 8.110 8.059 0.051 19750 4996 1 14 . 1 1 16 16 ALA N N 16 119.580 119.580 119.512 0.068 19750 4997 1 14 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.330 0.013 19750 4998 1 14 . 1 1 16 16 ALA C C 16 178.570 178.570 177.050 1.520 19750 4999 1 14 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.782 -0.132 19750 5000 1 14 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.366 0.714 19750 5001 1 14 . 1 1 16 16 ALA H H 16 7.457 7.457 7.834 -0.377 19750 5002 1 14 . 1 1 17 17 GLN N N 17 118.840 118.840 114.113 4.727 19750 5003 1 14 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.476 -0.045 19750 5004 1 14 . 1 1 17 17 GLN C C 17 176.160 176.160 176.336 -0.176 19750 5005 1 14 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.523 -0.893 19750 5006 1 14 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.373 -2.993 19750 5007 1 14 . 1 1 17 17 GLN H H 17 7.642 7.642 7.897 -0.256 19750 5008 1 14 . 1 1 18 18 GLN N N 18 120.730 120.730 120.903 -0.173 19750 5009 1 14 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.953 0.064 19750 5010 1 14 . 1 1 18 18 GLN C C 18 177.480 177.480 177.504 -0.024 19750 5011 1 14 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.384 -1.094 19750 5012 1 14 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.733 -0.613 19750 5013 1 14 . 1 1 18 18 GLN H H 18 7.975 7.975 7.576 0.399 19750 5014 1 14 . 1 1 19 19 HIS N N 19 117.470 117.470 118.722 -1.252 19750 5015 1 14 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.385 0.289 19750 5016 1 14 . 1 1 19 19 HIS C C 19 176.330 176.330 177.490 -1.160 19750 5017 1 14 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.547 -2.587 19750 5018 1 14 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.478 -2.058 19750 5019 1 14 . 1 1 19 19 HIS H H 19 8.697 8.697 8.443 0.254 19750 5020 1 14 . 1 1 20 20 LEU N N 20 120.410 120.410 122.046 -1.636 19750 5021 1 14 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.120 -0.070 19750 5022 1 14 . 1 1 20 20 LEU C C 20 179.680 179.680 178.424 1.256 19750 5023 1 14 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.692 0.048 19750 5024 1 14 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.157 -0.327 19750 5025 1 14 . 1 1 20 20 LEU H H 20 8.026 8.026 8.406 -0.380 19750 5026 1 14 . 1 1 21 21 LEU N N 21 121.930 121.930 119.265 2.665 19750 5027 1 14 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.949 0.110 19750 5028 1 14 . 1 1 21 21 LEU C C 21 178.540 178.540 179.401 -0.861 19750 5029 1 14 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.607 -0.477 19750 5030 1 14 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.722 -0.592 19750 5031 1 14 . 1 1 21 21 LEU H H 21 8.433 8.433 7.624 0.809 19750 5032 1 14 . 1 1 22 22 GLN N N 22 118.540 118.540 117.981 0.559 19750 5033 1 14 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.173 -0.160 19750 5034 1 14 . 1 1 22 22 GLN C C 22 179.430 179.430 178.652 0.778 19750 5035 1 14 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.655 0.245 19750 5036 1 14 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.524 -1.054 19750 5037 1 14 . 1 1 22 22 GLN H H 22 8.087 8.087 7.576 0.511 19750 5038 1 14 . 1 1 23 23 LEU N N 23 120.750 120.750 121.049 -0.299 19750 5039 1 14 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.952 0.279 19750 5040 1 14 . 1 1 23 23 LEU C C 23 178.420 178.420 178.700 -0.280 19750 5041 1 14 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.412 -0.782 19750 5042 1 14 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.058 -0.768 19750 5043 1 14 . 1 1 23 23 LEU H H 23 8.013 8.013 8.737 -0.724 19750 5044 1 14 . 1 1 24 24 THR N N 24 116.790 116.790 115.698 1.092 19750 5045 1 14 . 1 1 24 24 THR C C 24 176.180 176.180 176.748 -0.568 19750 5046 1 14 . 1 1 24 24 THR H H 24 8.024 8.024 8.526 -0.502 19750 5047 1 14 . 1 1 25 25 VAL N N 25 121.130 121.130 120.958 0.172 19750 5048 1 14 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.844 -0.269 19750 5049 1 14 . 1 1 25 25 VAL C C 25 177.600 177.600 178.028 -0.428 19750 5050 1 14 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.532 0.288 19750 5051 1 14 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.531 -0.701 19750 5052 1 14 . 1 1 25 25 VAL H H 25 8.068 8.068 7.452 0.616 19750 5053 1 14 . 1 1 26 26 TRP N N 26 120.520 120.520 120.536 -0.016 19750 5054 1 14 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.647 -0.467 19750 5055 1 14 . 1 1 26 26 TRP C C 26 178.700 178.700 178.688 0.012 19750 5056 1 14 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.751 0.680 19750 5057 1 14 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.920 -1.180 19750 5058 1 14 . 1 1 26 26 TRP H H 26 7.983 7.983 8.714 -0.731 19750 5059 1 14 . 1 1 27 27 GLY N N 27 107.880 107.880 108.607 -0.727 19750 5060 1 14 . 1 1 27 27 GLY C C 27 174.990 174.990 176.033 -1.043 19750 5061 1 14 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.417 -0.177 19750 5062 1 14 . 1 1 27 27 GLY H H 27 8.846 8.846 9.005 -0.159 19750 5063 1 14 . 1 1 28 28 ILE N N 28 122.330 122.330 118.559 3.771 19750 5064 1 14 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.768 -0.156 19750 5065 1 14 . 1 1 28 28 ILE C C 28 178.030 178.030 177.314 0.716 19750 5066 1 14 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.553 0.307 19750 5067 1 14 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.342 -0.832 19750 5068 1 14 . 1 1 28 28 ILE H H 28 8.427 8.427 7.744 0.683 19750 5069 1 14 . 1 1 29 29 LYS N N 29 119.850 119.850 120.771 -0.921 19750 5070 1 14 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.831 0.191 19750 5071 1 14 . 1 1 29 29 LYS C C 29 180.050 180.050 179.089 0.961 19750 5072 1 14 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.420 -0.150 19750 5073 1 14 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.857 -1.177 19750 5074 1 14 . 1 1 29 29 LYS H H 29 7.993 7.993 7.480 0.513 19750 5075 1 14 . 1 1 30 30 GLN N N 30 118.870 118.870 118.137 0.733 19750 5076 1 14 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.080 -0.240 19750 5077 1 14 . 1 1 30 30 GLN C C 30 178.750 178.750 178.738 0.012 19750 5078 1 14 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.374 -1.214 19750 5079 1 14 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.539 -1.679 19750 5080 1 14 . 1 1 30 30 GLN H H 30 7.800 7.800 7.840 -0.040 19750 5081 1 14 . 1 1 31 31 LEU N N 31 120.220 120.220 121.375 -1.155 19750 5082 1 14 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.041 -0.075 19750 5083 1 14 . 1 1 31 31 LEU C C 31 179.300 179.300 178.819 0.481 19750 5084 1 14 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.960 -0.750 19750 5085 1 14 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.619 -0.959 19750 5086 1 14 . 1 1 31 31 LEU H H 31 7.873 7.873 7.993 -0.120 19750 5087 1 14 . 1 1 32 32 GLN N N 32 118.830 118.830 119.260 -0.430 19750 5088 1 14 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.841 0.102 19750 5089 1 14 . 1 1 32 32 GLN C C 32 177.910 177.910 178.280 -0.370 19750 5090 1 14 . 1 1 32 32 GLN CA C 32 58.220 58.220 59.075 -0.855 19750 5091 1 14 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.509 -0.488 19750 5092 1 14 . 1 1 32 32 GLN H H 32 8.216 8.216 8.233 -0.017 19750 5093 1 14 . 1 1 33 33 ALA N N 33 121.340 121.340 119.345 1.995 19750 5094 1 14 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.075 0.110 19750 5095 1 14 . 1 1 33 33 ALA C C 33 179.050 179.050 178.030 1.020 19750 5096 1 14 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.791 -0.331 19750 5097 1 14 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.294 -0.575 19750 5098 1 14 . 1 1 33 33 ALA H H 33 7.647 7.647 7.607 0.040 19750 5099 1 14 . 1 1 34 34 ARG N N 34 117.580 117.580 117.790 -0.210 19750 5100 1 14 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.176 0.130 19750 5101 1 14 . 1 1 34 34 ARG C C 34 176.800 176.800 176.640 0.160 19750 5102 1 14 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.001 -0.771 19750 5103 1 14 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.818 -1.168 19750 5104 1 14 . 1 1 34 34 ARG H H 34 7.612 7.612 8.159 -0.547 19750 5105 1 14 . 1 1 35 35 SER N N 35 114.960 114.960 114.072 0.888 19750 5106 1 14 . 1 1 35 35 SER HA H 35 4.343 4.343 4.522 -0.179 19750 5107 1 14 . 1 1 35 35 SER C C 35 175.290 175.290 176.005 -0.715 19750 5108 1 14 . 1 1 35 35 SER CA C 35 58.930 58.930 58.014 0.916 19750 5109 1 14 . 1 1 35 35 SER CB C 35 63.370 63.370 64.450 -1.080 19750 5110 1 14 . 1 1 35 35 SER H H 35 7.827 7.827 7.786 0.041 19750 5111 1 14 . 1 1 36 36 GLY N N 36 110.340 110.340 111.479 -1.139 19750 5112 1 14 . 1 1 36 36 GLY C C 36 174.840 174.840 174.055 0.785 19750 5113 1 14 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.184 1.156 19750 5114 1 14 . 1 1 36 36 GLY H H 36 8.132 8.132 8.725 -0.593 19750 5115 1 14 . 1 1 37 37 GLY N N 37 108.880 108.880 107.101 1.779 19750 5116 1 14 . 1 1 37 37 GLY C C 37 174.400 174.400 174.593 -0.193 19750 5117 1 14 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.467 0.503 19750 5118 1 14 . 1 1 37 37 GLY H H 37 8.190 8.190 7.395 0.795 19750 5119 1 14 . 1 1 38 38 ARG N N 38 120.630 120.630 121.794 -1.164 19750 5120 1 14 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.541 -0.226 19750 5121 1 14 . 1 1 38 38 ARG C C 38 176.900 176.900 176.304 0.596 19750 5122 1 14 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.774 0.276 19750 5123 1 14 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.187 -0.437 19750 5124 1 14 . 1 1 38 38 ARG H H 38 8.118 8.118 8.544 -0.426 19750 5125 1 14 . 1 1 39 39 GLY N N 39 109.360 109.360 108.495 0.865 19750 5126 1 14 . 1 1 39 39 GLY C C 39 174.690 174.690 173.979 0.711 19750 5127 1 14 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.493 0.627 19750 5128 1 14 . 1 1 39 39 GLY H H 39 8.374 8.374 8.136 0.238 19750 5129 1 14 . 1 1 40 40 GLY N N 40 109.060 109.060 107.519 1.541 19750 5130 1 14 . 1 1 40 40 GLY C C 40 174.680 174.680 174.080 0.600 19750 5131 1 14 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.974 0.106 19750 5132 1 14 . 1 1 40 40 GLY H H 40 7.995 7.995 8.374 -0.379 19750 5133 1 14 . 1 1 41 41 TRP N N 41 121.260 121.260 127.000 -5.740 19750 5134 1 14 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.783 -0.384 19750 5135 1 14 . 1 1 41 41 TRP C C 41 177.300 177.300 176.303 0.997 19750 5136 1 14 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.184 1.396 19750 5137 1 14 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.801 -2.111 19750 5138 1 14 . 1 1 41 41 TRP H H 41 8.176 8.176 8.930 -0.754 19750 5139 1 14 . 1 1 42 42 MET N N 42 118.570 118.570 120.253 -1.683 19750 5140 1 14 . 1 1 42 42 MET HA H 42 4.185 4.185 4.112 0.073 19750 5141 1 14 . 1 1 42 42 MET C C 42 177.930 177.930 178.204 -0.274 19750 5142 1 14 . 1 1 42 42 MET CA C 42 57.460 57.460 58.856 -1.396 19750 5143 1 14 . 1 1 42 42 MET CB C 42 30.920 30.920 32.251 -1.331 19750 5144 1 14 . 1 1 42 42 MET H H 42 8.120 8.120 8.327 -0.207 19750 5145 1 14 . 1 1 43 43 GLU N N 43 119.600 119.600 119.012 0.588 19750 5146 1 14 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.951 0.248 19750 5147 1 14 . 1 1 43 43 GLU C C 43 177.980 177.980 178.779 -0.799 19750 5148 1 14 . 1 1 43 43 GLU CA C 43 57.520 57.520 59.999 -2.479 19750 5149 1 14 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.939 -1.379 19750 5150 1 14 . 1 1 43 43 GLU H H 43 7.834 7.834 8.769 -0.935 19750 5151 1 14 . 1 1 44 44 TRP N N 44 120.890 120.890 117.322 3.568 19750 5152 1 14 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.400 0.092 19750 5153 1 14 . 1 1 44 44 TRP C C 44 177.480 177.480 177.825 -0.345 19750 5154 1 14 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.951 0.009 19750 5155 1 14 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.612 -0.192 19750 5156 1 14 . 1 1 44 44 TRP H H 44 7.824 7.824 8.503 -0.679 19750 5157 1 14 . 1 1 45 45 ASP N N 45 118.210 118.210 117.804 0.406 19750 5158 1 14 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.629 -0.277 19750 5159 1 14 . 1 1 45 45 ASP C C 45 177.070 177.070 176.983 0.087 19750 5160 1 14 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.114 -0.164 19750 5161 1 14 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.781 -2.521 19750 5162 1 14 . 1 1 45 45 ASP H H 45 8.325 8.325 7.859 0.466 19750 5163 1 14 . 1 1 46 46 ARG N N 46 119.510 119.510 119.689 -0.179 19750 5164 1 14 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.364 -0.263 19750 5165 1 14 . 1 1 46 46 ARG C C 46 178.410 178.410 178.000 0.410 19750 5166 1 14 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.305 0.135 19750 5167 1 14 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.238 -2.048 19750 5168 1 14 . 1 1 46 46 ARG H H 46 7.860 7.860 8.204 -0.344 19750 5169 1 14 . 1 1 47 47 GLU N N 47 118.470 118.470 120.908 -2.438 19750 5170 1 14 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.169 0.118 19750 5171 1 14 . 1 1 47 47 GLU C C 47 178.170 178.170 178.633 -0.463 19750 5172 1 14 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.128 -1.318 19750 5173 1 14 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.486 -1.766 19750 5174 1 14 . 1 1 47 47 GLU H H 47 7.874 7.874 7.605 0.269 19750 5175 1 14 . 1 1 48 48 ILE N N 48 118.800 118.800 115.140 3.660 19750 5176 1 14 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.804 0.125 19750 5177 1 14 . 1 1 48 48 ILE C C 48 178.060 178.060 177.307 0.753 19750 5178 1 14 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.999 0.031 19750 5179 1 14 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.429 -0.439 19750 5180 1 14 . 1 1 48 48 ILE H H 48 8.199 8.199 7.594 0.605 19750 5181 1 14 . 1 1 49 49 ASN N N 49 119.580 119.580 118.970 0.610 19750 5182 1 14 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.675 -0.076 19750 5183 1 14 . 1 1 49 49 ASN C C 49 177.110 177.110 177.067 0.043 19750 5184 1 14 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.532 0.168 19750 5185 1 14 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.179 -0.099 19750 5186 1 14 . 1 1 49 49 ASN H H 49 8.085 8.085 7.996 0.089 19750 5187 1 14 . 1 1 50 50 ASN N N 50 118.690 118.690 120.098 -1.408 19750 5188 1 14 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.424 0.110 19750 5189 1 14 . 1 1 50 50 ASN C C 50 177.120 177.120 177.339 -0.219 19750 5190 1 14 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.483 -1.423 19750 5191 1 14 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.559 -0.879 19750 5192 1 14 . 1 1 50 50 ASN H H 50 8.020 8.020 8.059 -0.039 19750 5193 1 14 . 1 1 51 51 TYR N N 51 118.430 118.430 117.966 0.464 19750 5194 1 14 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.460 0.074 19750 5195 1 14 . 1 1 51 51 TYR C C 51 177.480 177.480 176.220 1.260 19750 5196 1 14 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.080 0.350 19750 5197 1 14 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.727 -1.017 19750 5198 1 14 . 1 1 51 51 TYR H H 51 8.106 8.106 7.734 0.372 19750 5199 1 14 . 1 1 52 52 THR N N 52 114.470 114.470 115.108 -0.638 19750 5200 1 14 . 1 1 52 52 THR HA H 52 3.943 3.943 4.278 -0.335 19750 5201 1 14 . 1 1 52 52 THR C C 52 176.970 176.970 176.063 0.907 19750 5202 1 14 . 1 1 52 52 THR CA C 52 66.220 66.220 65.396 0.824 19750 5203 1 14 . 1 1 52 52 THR CB C 52 67.580 67.580 69.099 -1.519 19750 5204 1 14 . 1 1 52 52 THR H H 52 8.247 8.247 7.964 0.283 19750 5205 1 14 . 1 1 53 53 SER N N 53 118.260 118.260 118.491 -0.231 19750 5206 1 14 . 1 1 53 53 SER HA H 53 4.338 4.338 4.463 -0.125 19750 5207 1 14 . 1 1 53 53 SER C C 53 176.990 176.990 175.882 1.108 19750 5208 1 14 . 1 1 53 53 SER CA C 53 61.300 61.300 61.001 0.299 19750 5209 1 14 . 1 1 53 53 SER CB C 53 62.020 62.020 63.074 -1.054 19750 5210 1 14 . 1 1 53 53 SER H H 53 8.064 8.064 7.753 0.311 19750 5211 1 14 . 1 1 54 54 LEU N N 54 123.950 123.950 122.418 1.532 19750 5212 1 14 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.081 0.169 19750 5213 1 14 . 1 1 54 54 LEU C C 54 179.060 179.060 177.251 1.809 19750 5214 1 14 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.691 -0.001 19750 5215 1 14 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.120 -1.130 19750 5216 1 14 . 1 1 54 54 LEU H H 54 7.631 7.631 7.367 0.264 19750 5217 1 14 . 1 1 55 55 ILE N N 55 118.770 118.770 116.021 2.749 19750 5218 1 14 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.927 -0.208 19750 5219 1 14 . 1 1 55 55 ILE C C 55 177.570 177.570 176.917 0.653 19750 5220 1 14 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.014 2.506 19750 5221 1 14 . 1 1 55 55 ILE CB C 55 36.460 36.460 38.064 -1.604 19750 5222 1 14 . 1 1 55 55 ILE H H 55 8.051 8.051 7.505 0.546 19750 5223 1 14 . 1 1 56 56 HIS N N 56 117.770 117.770 120.475 -2.705 19750 5224 1 14 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.438 -0.183 19750 5225 1 14 . 1 1 56 56 HIS C C 56 176.790 176.790 177.089 -0.299 19750 5226 1 14 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.067 0.023 19750 5227 1 14 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.687 -2.087 19750 5228 1 14 . 1 1 56 56 HIS H H 56 8.339 8.339 7.772 0.567 19750 5229 1 14 . 1 1 57 57 SER N N 57 115.350 115.350 115.019 0.331 19750 5230 1 14 . 1 1 57 57 SER HA H 57 4.245 4.245 4.285 -0.040 19750 5231 1 14 . 1 1 57 57 SER C C 57 175.990 175.990 175.993 -0.003 19750 5232 1 14 . 1 1 57 57 SER CA C 57 61.580 61.580 60.766 0.814 19750 5233 1 14 . 1 1 57 57 SER CB C 57 62.280 62.280 62.779 -0.499 19750 5234 1 14 . 1 1 57 57 SER H H 57 8.137 8.137 7.781 0.356 19750 5235 1 14 . 1 1 58 58 LEU N N 58 122.540 122.540 122.841 -0.301 19750 5236 1 14 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.186 -0.024 19750 5237 1 14 . 1 1 58 58 LEU C C 58 178.930 178.930 178.114 0.816 19750 5238 1 14 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.131 0.159 19750 5239 1 14 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.294 -1.103 19750 5240 1 14 . 1 1 58 58 LEU H H 58 7.914 7.914 7.604 0.310 19750 5241 1 14 . 1 1 59 59 ILE N N 59 118.010 118.010 119.102 -1.092 19750 5242 1 14 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.688 0.101 19750 5243 1 14 . 1 1 59 59 ILE C C 59 178.120 178.120 177.348 0.772 19750 5244 1 14 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.422 -1.592 19750 5245 1 14 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.092 -0.942 19750 5246 1 14 . 1 1 59 59 ILE H H 59 7.921 7.921 7.475 0.446 19750 5247 1 14 . 1 1 60 60 GLU N N 60 119.640 119.640 118.628 1.012 19750 5248 1 14 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.824 0.310 19750 5249 1 14 . 1 1 60 60 GLU C C 60 177.950 177.950 177.652 0.298 19750 5250 1 14 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.220 -1.660 19750 5251 1 14 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.473 -1.763 19750 5252 1 14 . 1 1 60 60 GLU H H 60 7.925 7.925 7.638 0.287 19750 5253 1 14 . 1 1 61 61 GLU N N 61 118.990 118.990 116.313 2.677 19750 5254 1 14 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.264 -0.019 19750 5255 1 14 . 1 1 61 61 GLU C C 61 177.450 177.450 177.823 -0.373 19750 5256 1 14 . 1 1 61 61 GLU CA C 61 57.100 57.100 57.945 -0.845 19750 5257 1 14 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.849 -2.229 19750 5258 1 14 . 1 1 61 61 GLU H H 61 8.048 8.048 7.592 0.456 19750 5259 1 14 . 1 1 62 62 SER N N 62 115.260 115.260 114.387 0.873 19750 5260 1 14 . 1 1 62 62 SER HA H 62 4.324 4.324 4.440 -0.116 19750 5261 1 14 . 1 1 62 62 SER C C 62 174.940 174.940 174.568 0.372 19750 5262 1 14 . 1 1 62 62 SER CA C 62 59.620 59.620 60.099 -0.479 19750 5263 1 14 . 1 1 62 62 SER CB C 62 63.130 63.130 63.803 -0.673 19750 5264 1 14 . 1 1 62 62 SER H H 62 7.893 7.893 7.584 0.309 19750 5265 1 14 . 1 1 63 63 GLN N N 63 120.400 120.400 120.317 0.083 19750 5266 1 14 . 1 1 63 63 GLN C C 63 176.070 176.070 174.708 1.362 19750 5267 1 14 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.012 0.778 19750 5268 1 14 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.720 -0.020 19750 5269 1 14 . 1 1 63 63 GLN H H 63 7.824 7.824 7.837 -0.013 19750 5270 1 14 . 1 1 64 64 ASN N N 64 119.180 119.180 123.113 -3.933 19750 5271 1 14 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.798 -0.103 19750 5272 1 14 . 1 1 64 64 ASN C C 64 175.300 175.300 174.957 0.343 19750 5273 1 14 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.904 0.376 19750 5274 1 14 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.704 -1.364 19750 5275 1 14 . 1 1 64 64 ASN H H 64 8.059 8.059 8.445 -0.386 19750 5276 1 14 . 1 1 65 65 GLN N N 65 120.740 120.740 122.138 -1.398 19750 5277 1 14 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.647 -0.327 19750 5278 1 14 . 1 1 65 65 GLN C C 65 175.890 175.890 174.785 1.105 19750 5279 1 14 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.343 0.357 19750 5280 1 14 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.605 -2.075 19750 5281 1 14 . 1 1 65 65 GLN H H 65 8.144 8.144 8.539 -0.395 19750 5282 1 14 . 1 1 66 66 GLN N N 66 121.070 121.070 121.029 0.041 19750 5283 1 14 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.355 -0.035 19750 5284 1 14 . 1 1 66 66 GLN C C 66 175.840 175.840 175.059 0.781 19750 5285 1 14 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.218 -0.608 19750 5286 1 14 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.203 -1.532 19750 5287 1 14 . 1 1 66 66 GLN H H 66 8.199 8.199 8.701 -0.502 19750 5288 1 14 . 1 1 67 67 GLU N N 67 122.320 122.320 121.383 0.937 19750 5289 1 14 . 1 1 67 67 GLU C C 67 175.200 175.200 175.383 -0.183 19750 5290 1 14 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.489 -0.839 19750 5291 1 14 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.262 -1.853 19750 5292 1 14 . 1 1 67 67 GLU H H 67 8.194 8.194 8.491 -0.297 19750 5293 1 15 . 1 1 2 2 GLY N N 2 110.890 110.890 111.527 -0.637 19750 5294 1 15 . 1 1 2 2 GLY C C 2 174.890 174.890 174.609 0.281 19750 5295 1 15 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.034 0.516 19750 5296 1 15 . 1 1 2 2 GLY H H 2 8.294 8.294 7.908 0.386 19750 5297 1 15 . 1 1 3 3 ILE N N 3 120.800 120.800 120.949 -0.149 19750 5298 1 15 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.777 0.255 19750 5299 1 15 . 1 1 3 3 ILE C C 3 176.740 176.740 177.336 -0.596 19750 5300 1 15 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.256 -1.016 19750 5301 1 15 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.337 -0.877 19750 5302 1 15 . 1 1 3 3 ILE H H 3 7.861 7.861 8.234 -0.373 19750 5303 1 15 . 1 1 4 4 VAL N N 4 121.090 121.090 118.822 2.268 19750 5304 1 15 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.903 -0.020 19750 5305 1 15 . 1 1 4 4 VAL C C 4 176.990 176.990 177.549 -0.559 19750 5306 1 15 . 1 1 4 4 VAL CA C 4 63.620 63.620 64.939 -1.319 19750 5307 1 15 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.789 -0.619 19750 5308 1 15 . 1 1 4 4 VAL H H 4 7.857 7.857 7.709 0.148 19750 5309 1 15 . 1 1 5 5 GLN N N 5 121.380 121.380 120.447 0.933 19750 5310 1 15 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.908 0.327 19750 5311 1 15 . 1 1 5 5 GLN C C 5 176.960 176.960 178.109 -1.149 19750 5312 1 15 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.429 -2.679 19750 5313 1 15 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.129 0.121 19750 5314 1 15 . 1 1 5 5 GLN H H 5 8.051 8.051 8.610 -0.559 19750 5315 1 15 . 1 1 6 6 GLN N N 6 119.480 119.480 117.813 1.667 19750 5316 1 15 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.961 0.407 19750 5317 1 15 . 1 1 6 6 GLN C C 6 176.720 176.720 178.610 -1.890 19750 5318 1 15 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.984 -2.864 19750 5319 1 15 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.389 -0.169 19750 5320 1 15 . 1 1 6 6 GLN H H 6 8.018 8.018 7.769 0.249 19750 5321 1 15 . 1 1 7 7 GLN N N 7 120.360 120.360 118.936 1.424 19750 5322 1 15 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.009 0.180 19750 5323 1 15 . 1 1 7 7 GLN C C 7 176.180 176.180 178.754 -2.574 19750 5324 1 15 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.826 -1.976 19750 5325 1 15 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.281 -0.201 19750 5326 1 15 . 1 1 7 7 GLN H H 7 8.151 8.151 8.034 0.117 19750 5327 1 15 . 1 1 8 8 ASN N N 8 119.230 119.230 118.264 0.966 19750 5328 1 15 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.563 -0.111 19750 5329 1 15 . 1 1 8 8 ASN C C 8 176.300 176.300 177.723 -1.423 19750 5330 1 15 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.501 -0.701 19750 5331 1 15 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.093 0.107 19750 5332 1 15 . 1 1 8 8 ASN H H 8 8.256 8.256 8.712 -0.456 19750 5333 1 15 . 1 1 9 9 ASN N N 9 119.840 119.840 120.269 -0.429 19750 5334 1 15 . 1 1 9 9 ASN C C 9 177.150 177.150 177.489 -0.339 19750 5335 1 15 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.495 -0.555 19750 5336 1 15 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.448 -0.768 19750 5337 1 15 . 1 1 9 9 ASN H H 9 8.319 8.319 8.406 -0.087 19750 5338 1 15 . 1 1 10 10 LEU N N 10 122.900 122.900 122.265 0.635 19750 5339 1 15 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.040 0.094 19750 5340 1 15 . 1 1 10 10 LEU C C 10 178.050 178.050 178.218 -0.168 19750 5341 1 15 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.369 -0.679 19750 5342 1 15 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.046 -1.286 19750 5343 1 15 . 1 1 10 10 LEU H H 10 8.194 8.194 8.503 -0.309 19750 5344 1 15 . 1 1 11 11 LEU N N 11 118.800 118.800 117.982 0.818 19750 5345 1 15 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.010 -0.002 19750 5346 1 15 . 1 1 11 11 LEU C C 11 178.830 178.830 178.802 0.028 19750 5347 1 15 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.361 0.309 19750 5348 1 15 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.976 -1.746 19750 5349 1 15 . 1 1 11 11 LEU H H 11 8.030 8.030 7.393 0.637 19750 5350 1 15 . 1 1 12 12 ARG N N 12 117.710 117.710 118.389 -0.679 19750 5351 1 15 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.080 -0.067 19750 5352 1 15 . 1 1 12 12 ARG C C 12 178.840 178.840 178.568 0.272 19750 5353 1 15 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.958 -0.338 19750 5354 1 15 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.234 -1.184 19750 5355 1 15 . 1 1 12 12 ARG H H 12 7.845 7.845 7.592 0.253 19750 5356 1 15 . 1 1 13 13 ALA N N 13 121.870 121.870 122.375 -0.505 19750 5357 1 15 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.099 0.095 19750 5358 1 15 . 1 1 13 13 ALA C C 13 180.040 180.040 179.111 0.929 19750 5359 1 15 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.809 -0.328 19750 5360 1 15 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.287 -0.787 19750 5361 1 15 . 1 1 13 13 ALA H H 13 7.681 7.681 8.540 -0.859 19750 5362 1 15 . 1 1 14 14 ILE N N 14 118.010 118.010 118.229 -0.219 19750 5363 1 15 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.704 0.029 19750 5364 1 15 . 1 1 14 14 ILE C C 14 177.760 177.760 178.296 -0.536 19750 5365 1 15 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.063 -0.723 19750 5366 1 15 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.325 -1.125 19750 5367 1 15 . 1 1 14 14 ILE H H 14 7.975 7.975 7.524 0.451 19750 5368 1 15 . 1 1 15 15 GLU N N 15 117.430 117.430 118.098 -0.668 19750 5369 1 15 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.410 -0.458 19750 5370 1 15 . 1 1 15 15 GLU C C 15 177.030 177.030 178.028 -0.998 19750 5371 1 15 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.888 -0.968 19750 5372 1 15 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.863 -2.443 19750 5373 1 15 . 1 1 15 15 GLU H H 15 8.110 8.110 8.077 0.033 19750 5374 1 15 . 1 1 16 16 ALA N N 16 119.580 119.580 119.579 0.001 19750 5375 1 15 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.306 0.037 19750 5376 1 15 . 1 1 16 16 ALA C C 16 178.570 178.570 177.003 1.567 19750 5377 1 15 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.782 -0.132 19750 5378 1 15 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.161 0.919 19750 5379 1 15 . 1 1 16 16 ALA H H 16 7.457 7.457 8.053 -0.596 19750 5380 1 15 . 1 1 17 17 GLN N N 17 118.840 118.840 113.985 4.855 19750 5381 1 15 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.467 -0.036 19750 5382 1 15 . 1 1 17 17 GLN C C 17 176.160 176.160 176.340 -0.180 19750 5383 1 15 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.553 -0.923 19750 5384 1 15 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.359 -2.979 19750 5385 1 15 . 1 1 17 17 GLN H H 17 7.642 7.642 8.096 -0.454 19750 5386 1 15 . 1 1 18 18 GLN N N 18 120.730 120.730 120.939 -0.209 19750 5387 1 15 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.945 0.072 19750 5388 1 15 . 1 1 18 18 GLN C C 18 177.480 177.480 177.482 -0.002 19750 5389 1 15 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.379 -1.089 19750 5390 1 15 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.738 -0.618 19750 5391 1 15 . 1 1 18 18 GLN H H 18 7.975 7.975 7.609 0.366 19750 5392 1 15 . 1 1 19 19 HIS N N 19 117.470 117.470 118.660 -1.190 19750 5393 1 15 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.385 0.289 19750 5394 1 15 . 1 1 19 19 HIS C C 19 176.330 176.330 177.509 -1.179 19750 5395 1 15 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.459 -2.499 19750 5396 1 15 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.498 -2.078 19750 5397 1 15 . 1 1 19 19 HIS H H 19 8.697 8.697 8.440 0.257 19750 5398 1 15 . 1 1 20 20 LEU N N 20 120.410 120.410 122.057 -1.647 19750 5399 1 15 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.126 -0.076 19750 5400 1 15 . 1 1 20 20 LEU C C 20 179.680 179.680 178.260 1.420 19750 5401 1 15 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.599 0.141 19750 5402 1 15 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.174 -0.344 19750 5403 1 15 . 1 1 20 20 LEU H H 20 8.026 8.026 8.401 -0.375 19750 5404 1 15 . 1 1 21 21 LEU N N 21 121.930 121.930 119.313 2.617 19750 5405 1 15 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.952 0.107 19750 5406 1 15 . 1 1 21 21 LEU C C 21 178.540 178.540 179.385 -0.845 19750 5407 1 15 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.606 -0.476 19750 5408 1 15 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.779 -0.649 19750 5409 1 15 . 1 1 21 21 LEU H H 21 8.433 8.433 7.635 0.798 19750 5410 1 15 . 1 1 22 22 GLN N N 22 118.540 118.540 117.889 0.651 19750 5411 1 15 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.185 -0.172 19750 5412 1 15 . 1 1 22 22 GLN C C 22 179.430 179.430 178.684 0.746 19750 5413 1 15 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.597 0.303 19750 5414 1 15 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.499 -1.029 19750 5415 1 15 . 1 1 22 22 GLN H H 22 8.087 8.087 7.602 0.485 19750 5416 1 15 . 1 1 23 23 LEU N N 23 120.750 120.750 121.223 -0.473 19750 5417 1 15 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.024 0.207 19750 5418 1 15 . 1 1 23 23 LEU C C 23 178.420 178.420 178.821 -0.401 19750 5419 1 15 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.245 -0.615 19750 5420 1 15 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.155 -0.865 19750 5421 1 15 . 1 1 23 23 LEU H H 23 8.013 8.013 8.633 -0.620 19750 5422 1 15 . 1 1 24 24 THR N N 24 116.790 116.790 115.772 1.018 19750 5423 1 15 . 1 1 24 24 THR C C 24 176.180 176.180 176.647 -0.467 19750 5424 1 15 . 1 1 24 24 THR H H 24 8.024 8.024 8.474 -0.450 19750 5425 1 15 . 1 1 25 25 VAL N N 25 121.130 121.130 121.352 -0.222 19750 5426 1 15 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.918 -0.343 19750 5427 1 15 . 1 1 25 25 VAL C C 25 177.600 177.600 177.750 -0.150 19750 5428 1 15 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.043 0.777 19750 5429 1 15 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.529 -0.699 19750 5430 1 15 . 1 1 25 25 VAL H H 25 8.068 8.068 7.482 0.586 19750 5431 1 15 . 1 1 26 26 TRP N N 26 120.520 120.520 120.629 -0.109 19750 5432 1 15 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.726 -0.546 19750 5433 1 15 . 1 1 26 26 TRP C C 26 178.700 178.700 178.569 0.131 19750 5434 1 15 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.667 0.763 19750 5435 1 15 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.102 -1.362 19750 5436 1 15 . 1 1 26 26 TRP H H 26 7.983 7.983 8.904 -0.921 19750 5437 1 15 . 1 1 27 27 GLY N N 27 107.880 107.880 108.350 -0.470 19750 5438 1 15 . 1 1 27 27 GLY C C 27 174.990 174.990 175.874 -0.884 19750 5439 1 15 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.129 0.111 19750 5440 1 15 . 1 1 27 27 GLY H H 27 8.846 8.846 8.739 0.107 19750 5441 1 15 . 1 1 28 28 ILE N N 28 122.330 122.330 118.067 4.263 19750 5442 1 15 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.843 -0.231 19750 5443 1 15 . 1 1 28 28 ILE C C 28 178.030 178.030 177.291 0.739 19750 5444 1 15 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.300 0.560 19750 5445 1 15 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.439 -0.929 19750 5446 1 15 . 1 1 28 28 ILE H H 28 8.427 8.427 7.614 0.813 19750 5447 1 15 . 1 1 29 29 LYS N N 29 119.850 119.850 121.068 -1.218 19750 5448 1 15 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.920 0.102 19750 5449 1 15 . 1 1 29 29 LYS C C 29 180.050 180.050 178.847 1.203 19750 5450 1 15 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.252 0.018 19750 5451 1 15 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.917 -1.237 19750 5452 1 15 . 1 1 29 29 LYS H H 29 7.993 7.993 7.561 0.432 19750 5453 1 15 . 1 1 30 30 GLN N N 30 118.870 118.870 118.333 0.537 19750 5454 1 15 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.061 -0.221 19750 5455 1 15 . 1 1 30 30 GLN C C 30 178.750 178.750 178.626 0.124 19750 5456 1 15 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.437 -1.277 19750 5457 1 15 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.450 -1.590 19750 5458 1 15 . 1 1 30 30 GLN H H 30 7.800 7.800 7.760 0.040 19750 5459 1 15 . 1 1 31 31 LEU N N 31 120.220 120.220 120.578 -0.358 19750 5460 1 15 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.194 -0.228 19750 5461 1 15 . 1 1 31 31 LEU C C 31 179.300 179.300 178.969 0.331 19750 5462 1 15 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.883 -0.673 19750 5463 1 15 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.835 -1.175 19750 5464 1 15 . 1 1 31 31 LEU H H 31 7.873 7.873 7.623 0.250 19750 5465 1 15 . 1 1 32 32 GLN N N 32 118.830 118.830 119.661 -0.831 19750 5466 1 15 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.914 0.029 19750 5467 1 15 . 1 1 32 32 GLN C C 32 177.910 177.910 178.367 -0.457 19750 5468 1 15 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.798 -0.578 19750 5469 1 15 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.530 -0.510 19750 5470 1 15 . 1 1 32 32 GLN H H 32 8.216 8.216 8.277 -0.061 19750 5471 1 15 . 1 1 33 33 ALA N N 33 121.340 121.340 119.255 2.085 19750 5472 1 15 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.172 0.013 19750 5473 1 15 . 1 1 33 33 ALA C C 33 179.050 179.050 177.747 1.303 19750 5474 1 15 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.092 0.368 19750 5475 1 15 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.403 -0.683 19750 5476 1 15 . 1 1 33 33 ALA H H 33 7.647 7.647 7.726 -0.079 19750 5477 1 15 . 1 1 34 34 ARG N N 34 117.580 117.580 118.920 -1.340 19750 5478 1 15 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.133 0.173 19750 5479 1 15 . 1 1 34 34 ARG C C 34 176.800 176.800 177.006 -0.206 19750 5480 1 15 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.386 -1.156 19750 5481 1 15 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.603 -0.953 19750 5482 1 15 . 1 1 34 34 ARG H H 34 7.612 7.612 8.061 -0.449 19750 5483 1 15 . 1 1 35 35 SER N N 35 114.960 114.960 113.991 0.969 19750 5484 1 15 . 1 1 35 35 SER HA H 35 4.343 4.343 4.484 -0.141 19750 5485 1 15 . 1 1 35 35 SER C C 35 175.290 175.290 175.572 -0.282 19750 5486 1 15 . 1 1 35 35 SER CA C 35 58.930 58.930 57.846 1.084 19750 5487 1 15 . 1 1 35 35 SER CB C 35 63.370 63.370 64.280 -0.910 19750 5488 1 15 . 1 1 35 35 SER H H 35 7.827 7.827 7.613 0.214 19750 5489 1 15 . 1 1 36 36 GLY N N 36 110.340 110.340 109.604 0.736 19750 5490 1 15 . 1 1 36 36 GLY C C 36 174.840 174.840 173.971 0.869 19750 5491 1 15 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.348 0.992 19750 5492 1 15 . 1 1 36 36 GLY H H 36 8.132 8.132 8.567 -0.435 19750 5493 1 15 . 1 1 37 37 GLY N N 37 108.880 108.880 107.270 1.610 19750 5494 1 15 . 1 1 37 37 GLY C C 37 174.400 174.400 174.718 -0.318 19750 5495 1 15 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.532 0.438 19750 5496 1 15 . 1 1 37 37 GLY H H 37 8.190 8.190 7.401 0.789 19750 5497 1 15 . 1 1 38 38 ARG N N 38 120.630 120.630 121.991 -1.361 19750 5498 1 15 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.549 -0.234 19750 5499 1 15 . 1 1 38 38 ARG C C 38 176.900 176.900 176.054 0.846 19750 5500 1 15 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.631 0.419 19750 5501 1 15 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.171 -0.421 19750 5502 1 15 . 1 1 38 38 ARG H H 38 8.118 8.118 8.557 -0.439 19750 5503 1 15 . 1 1 39 39 GLY N N 39 109.360 109.360 109.167 0.193 19750 5504 1 15 . 1 1 39 39 GLY C C 39 174.690 174.690 173.854 0.836 19750 5505 1 15 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.792 0.328 19750 5506 1 15 . 1 1 39 39 GLY H H 39 8.374 8.374 8.290 0.084 19750 5507 1 15 . 1 1 40 40 GLY N N 40 109.060 109.060 107.872 1.188 19750 5508 1 15 . 1 1 40 40 GLY C C 40 174.680 174.680 174.070 0.610 19750 5509 1 15 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.806 0.274 19750 5510 1 15 . 1 1 40 40 GLY H H 40 7.995 7.995 8.449 -0.454 19750 5511 1 15 . 1 1 41 41 TRP N N 41 121.260 121.260 127.419 -6.159 19750 5512 1 15 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.780 -0.381 19750 5513 1 15 . 1 1 41 41 TRP C C 41 177.300 177.300 176.207 1.093 19750 5514 1 15 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.226 1.354 19750 5515 1 15 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.864 -2.174 19750 5516 1 15 . 1 1 41 41 TRP H H 41 8.176 8.176 8.964 -0.788 19750 5517 1 15 . 1 1 42 42 MET N N 42 118.570 118.570 120.427 -1.857 19750 5518 1 15 . 1 1 42 42 MET HA H 42 4.185 4.185 4.119 0.066 19750 5519 1 15 . 1 1 42 42 MET C C 42 177.930 177.930 178.247 -0.317 19750 5520 1 15 . 1 1 42 42 MET CA C 42 57.460 57.460 58.634 -1.174 19750 5521 1 15 . 1 1 42 42 MET CB C 42 30.920 30.920 32.244 -1.324 19750 5522 1 15 . 1 1 42 42 MET H H 42 8.120 8.120 8.346 -0.226 19750 5523 1 15 . 1 1 43 43 GLU N N 43 119.600 119.600 119.004 0.596 19750 5524 1 15 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.944 0.255 19750 5525 1 15 . 1 1 43 43 GLU C C 43 177.980 177.980 178.751 -0.771 19750 5526 1 15 . 1 1 43 43 GLU CA C 43 57.520 57.520 59.977 -2.457 19750 5527 1 15 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.851 -1.291 19750 5528 1 15 . 1 1 43 43 GLU H H 43 7.834 7.834 8.796 -0.962 19750 5529 1 15 . 1 1 44 44 TRP N N 44 120.890 120.890 117.391 3.499 19750 5530 1 15 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.390 0.102 19750 5531 1 15 . 1 1 44 44 TRP C C 44 177.480 177.480 177.774 -0.294 19750 5532 1 15 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.963 -0.003 19750 5533 1 15 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.530 -0.110 19750 5534 1 15 . 1 1 44 44 TRP H H 44 7.824 7.824 8.516 -0.692 19750 5535 1 15 . 1 1 45 45 ASP N N 45 118.210 118.210 117.746 0.464 19750 5536 1 15 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.618 -0.266 19750 5537 1 15 . 1 1 45 45 ASP C C 45 177.070 177.070 176.990 0.080 19750 5538 1 15 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.108 -0.158 19750 5539 1 15 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.654 -2.394 19750 5540 1 15 . 1 1 45 45 ASP H H 45 8.325 8.325 7.855 0.470 19750 5541 1 15 . 1 1 46 46 ARG N N 46 119.510 119.510 119.748 -0.238 19750 5542 1 15 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.365 -0.264 19750 5543 1 15 . 1 1 46 46 ARG C C 46 178.410 178.410 178.013 0.397 19750 5544 1 15 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.260 0.180 19750 5545 1 15 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.283 -2.093 19750 5546 1 15 . 1 1 46 46 ARG H H 46 7.860 7.860 8.206 -0.346 19750 5547 1 15 . 1 1 47 47 GLU N N 47 118.470 118.470 120.915 -2.445 19750 5548 1 15 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.174 0.113 19750 5549 1 15 . 1 1 47 47 GLU C C 47 178.170 178.170 178.637 -0.467 19750 5550 1 15 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.141 -1.331 19750 5551 1 15 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.508 -1.788 19750 5552 1 15 . 1 1 47 47 GLU H H 47 7.874 7.874 7.581 0.293 19750 5553 1 15 . 1 1 48 48 ILE N N 48 118.800 118.800 115.144 3.656 19750 5554 1 15 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.803 0.126 19750 5555 1 15 . 1 1 48 48 ILE C C 48 178.060 178.060 177.308 0.752 19750 5556 1 15 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.998 0.032 19750 5557 1 15 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.427 -0.437 19750 5558 1 15 . 1 1 48 48 ILE H H 48 8.199 8.199 7.597 0.602 19750 5559 1 15 . 1 1 49 49 ASN N N 49 119.580 119.580 118.961 0.619 19750 5560 1 15 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.679 -0.080 19750 5561 1 15 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 5562 1 15 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.530 0.170 19750 5563 1 15 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.184 -0.104 19750 5564 1 15 . 1 1 49 49 ASN H H 49 8.085 8.085 7.998 0.087 19750 5565 1 15 . 1 1 50 50 ASN N N 50 118.690 118.690 120.102 -1.412 19750 5566 1 15 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.427 0.107 19750 5567 1 15 . 1 1 50 50 ASN C C 50 177.120 177.120 177.339 -0.219 19750 5568 1 15 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.486 -1.426 19750 5569 1 15 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.564 -0.884 19750 5570 1 15 . 1 1 50 50 ASN H H 50 8.020 8.020 8.060 -0.040 19750 5571 1 15 . 1 1 51 51 TYR N N 51 118.430 118.430 117.969 0.461 19750 5572 1 15 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.461 0.073 19750 5573 1 15 . 1 1 51 51 TYR C C 51 177.480 177.480 176.219 1.261 19750 5574 1 15 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.079 0.351 19750 5575 1 15 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.727 -1.017 19750 5576 1 15 . 1 1 51 51 TYR H H 51 8.106 8.106 7.736 0.370 19750 5577 1 15 . 1 1 52 52 THR N N 52 114.470 114.470 115.108 -0.638 19750 5578 1 15 . 1 1 52 52 THR HA H 52 3.943 3.943 4.281 -0.338 19750 5579 1 15 . 1 1 52 52 THR C C 52 176.970 176.970 176.068 0.902 19750 5580 1 15 . 1 1 52 52 THR CA C 52 66.220 66.220 65.397 0.823 19750 5581 1 15 . 1 1 52 52 THR CB C 52 67.580 67.580 69.106 -1.526 19750 5582 1 15 . 1 1 52 52 THR H H 52 8.247 8.247 7.968 0.279 19750 5583 1 15 . 1 1 53 53 SER N N 53 118.260 118.260 118.518 -0.258 19750 5584 1 15 . 1 1 53 53 SER HA H 53 4.338 4.338 4.475 -0.137 19750 5585 1 15 . 1 1 53 53 SER C C 53 176.990 176.990 175.892 1.098 19750 5586 1 15 . 1 1 53 53 SER CA C 53 61.300 61.300 61.043 0.257 19750 5587 1 15 . 1 1 53 53 SER CB C 53 62.020 62.020 63.057 -1.037 19750 5588 1 15 . 1 1 53 53 SER H H 53 8.064 8.064 7.763 0.301 19750 5589 1 15 . 1 1 54 54 LEU N N 54 123.950 123.950 122.815 1.135 19750 5590 1 15 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.075 0.175 19750 5591 1 15 . 1 1 54 54 LEU C C 54 179.060 179.060 177.563 1.497 19750 5592 1 15 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.859 -0.169 19750 5593 1 15 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.128 -1.138 19750 5594 1 15 . 1 1 54 54 LEU H H 54 7.631 7.631 7.404 0.227 19750 5595 1 15 . 1 1 55 55 ILE N N 55 118.770 118.770 116.277 2.493 19750 5596 1 15 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.855 -0.136 19750 5597 1 15 . 1 1 55 55 ILE C C 55 177.570 177.570 176.750 0.820 19750 5598 1 15 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.151 2.369 19750 5599 1 15 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.764 -1.304 19750 5600 1 15 . 1 1 55 55 ILE H H 55 8.051 8.051 7.522 0.529 19750 5601 1 15 . 1 1 56 56 HIS N N 56 117.770 117.770 120.320 -2.550 19750 5602 1 15 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.449 -0.195 19750 5603 1 15 . 1 1 56 56 HIS C C 56 176.790 176.790 177.170 -0.380 19750 5604 1 15 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.828 0.262 19750 5605 1 15 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.797 -2.197 19750 5606 1 15 . 1 1 56 56 HIS H H 56 8.339 8.339 7.734 0.605 19750 5607 1 15 . 1 1 57 57 SER N N 57 115.350 115.350 115.184 0.166 19750 5608 1 15 . 1 1 57 57 SER HA H 57 4.245 4.245 4.214 0.031 19750 5609 1 15 . 1 1 57 57 SER C C 57 175.990 175.990 175.968 0.022 19750 5610 1 15 . 1 1 57 57 SER CA C 57 61.580 61.580 61.977 -0.397 19750 5611 1 15 . 1 1 57 57 SER CB C 57 62.280 62.280 63.197 -0.917 19750 5612 1 15 . 1 1 57 57 SER H H 57 8.137 8.137 7.896 0.241 19750 5613 1 15 . 1 1 58 58 LEU N N 58 122.540 122.540 123.379 -0.839 19750 5614 1 15 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.118 0.044 19750 5615 1 15 . 1 1 58 58 LEU C C 58 178.930 178.930 178.081 0.849 19750 5616 1 15 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.386 -0.096 19750 5617 1 15 . 1 1 58 58 LEU CB C 58 41.190 41.190 41.967 -0.777 19750 5618 1 15 . 1 1 58 58 LEU H H 58 7.914 7.914 7.519 0.395 19750 5619 1 15 . 1 1 59 59 ILE N N 59 118.010 118.010 118.923 -0.913 19750 5620 1 15 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.603 0.186 19750 5621 1 15 . 1 1 59 59 ILE C C 59 178.120 178.120 177.595 0.525 19750 5622 1 15 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.716 -1.885 19750 5623 1 15 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.884 -0.734 19750 5624 1 15 . 1 1 59 59 ILE H H 59 7.921 7.921 7.360 0.561 19750 5625 1 15 . 1 1 60 60 GLU N N 60 119.640 119.640 119.563 0.077 19750 5626 1 15 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.844 0.290 19750 5627 1 15 . 1 1 60 60 GLU C C 60 177.950 177.950 177.890 0.060 19750 5628 1 15 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.175 -1.615 19750 5629 1 15 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.484 -1.774 19750 5630 1 15 . 1 1 60 60 GLU H H 60 7.925 7.925 7.750 0.175 19750 5631 1 15 . 1 1 61 61 GLU N N 61 118.990 118.990 117.243 1.747 19750 5632 1 15 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.241 0.004 19750 5633 1 15 . 1 1 61 61 GLU C C 61 177.450 177.450 177.979 -0.529 19750 5634 1 15 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.246 -1.147 19750 5635 1 15 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.891 -2.271 19750 5636 1 15 . 1 1 61 61 GLU H H 61 8.048 8.048 7.696 0.352 19750 5637 1 15 . 1 1 62 62 SER N N 62 115.260 115.260 115.222 0.038 19750 5638 1 15 . 1 1 62 62 SER HA H 62 4.324 4.324 4.383 -0.059 19750 5639 1 15 . 1 1 62 62 SER C C 62 174.940 174.940 174.874 0.066 19750 5640 1 15 . 1 1 62 62 SER CA C 62 59.620 59.620 60.753 -1.133 19750 5641 1 15 . 1 1 62 62 SER CB C 62 63.130 63.130 63.826 -0.696 19750 5642 1 15 . 1 1 62 62 SER H H 62 7.893 7.893 7.667 0.226 19750 5643 1 15 . 1 1 63 63 GLN N N 63 120.400 120.400 121.281 -0.881 19750 5644 1 15 . 1 1 63 63 GLN C C 63 176.070 176.070 174.879 1.191 19750 5645 1 15 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.147 0.644 19750 5646 1 15 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.651 1.049 19750 5647 1 15 . 1 1 63 63 GLN H H 63 7.824 7.824 8.082 -0.258 19750 5648 1 15 . 1 1 64 64 ASN N N 64 119.180 119.180 122.780 -3.600 19750 5649 1 15 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.844 -0.149 19750 5650 1 15 . 1 1 64 64 ASN C C 64 175.300 175.300 175.050 0.250 19750 5651 1 15 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.771 0.509 19750 5652 1 15 . 1 1 64 64 ASN CB C 64 38.340 38.340 40.019 -1.679 19750 5653 1 15 . 1 1 64 64 ASN H H 64 8.059 8.059 8.077 -0.018 19750 5654 1 15 . 1 1 65 65 GLN N N 65 120.740 120.740 122.188 -1.448 19750 5655 1 15 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.628 -0.308 19750 5656 1 15 . 1 1 65 65 GLN C C 65 175.890 175.890 174.777 1.113 19750 5657 1 15 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.398 0.302 19750 5658 1 15 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.439 -1.909 19750 5659 1 15 . 1 1 65 65 GLN H H 65 8.144 8.144 8.540 -0.396 19750 5660 1 15 . 1 1 66 66 GLN N N 66 121.070 121.070 122.340 -1.270 19750 5661 1 15 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.389 -0.069 19750 5662 1 15 . 1 1 66 66 GLN C C 66 175.840 175.840 175.270 0.570 19750 5663 1 15 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.179 -0.569 19750 5664 1 15 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.369 -1.699 19750 5665 1 15 . 1 1 66 66 GLN H H 66 8.199 8.199 8.716 -0.517 19750 5666 1 15 . 1 1 67 67 GLU N N 67 122.320 122.320 121.344 0.976 19750 5667 1 15 . 1 1 67 67 GLU C C 67 175.200 175.200 175.351 -0.151 19750 5668 1 15 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.481 -0.831 19750 5669 1 15 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.214 -1.804 19750 5670 1 15 . 1 1 67 67 GLU H H 67 8.194 8.194 8.480 -0.286 19750 5671 1 16 . 1 1 2 2 GLY N N 2 110.890 110.890 112.679 -1.789 19750 5672 1 16 . 1 1 2 2 GLY C C 2 174.890 174.890 174.882 0.008 19750 5673 1 16 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.631 0.919 19750 5674 1 16 . 1 1 2 2 GLY H H 2 8.294 8.294 8.115 0.179 19750 5675 1 16 . 1 1 3 3 ILE N N 3 120.800 120.800 120.768 0.032 19750 5676 1 16 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.956 0.076 19750 5677 1 16 . 1 1 3 3 ILE C C 3 176.740 176.740 177.044 -0.304 19750 5678 1 16 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.807 -0.567 19750 5679 1 16 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.313 -0.853 19750 5680 1 16 . 1 1 3 3 ILE H H 3 7.861 7.861 8.001 -0.140 19750 5681 1 16 . 1 1 4 4 VAL N N 4 121.090 121.090 118.754 2.336 19750 5682 1 16 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.750 0.133 19750 5683 1 16 . 1 1 4 4 VAL C C 4 176.990 176.990 177.572 -0.582 19750 5684 1 16 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.601 -1.981 19750 5685 1 16 . 1 1 4 4 VAL CB C 4 31.170 31.170 32.168 -0.998 19750 5686 1 16 . 1 1 4 4 VAL H H 4 7.857 7.857 7.826 0.031 19750 5687 1 16 . 1 1 5 5 GLN N N 5 121.380 121.380 119.442 1.938 19750 5688 1 16 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.836 0.399 19750 5689 1 16 . 1 1 5 5 GLN C C 5 176.960 176.960 178.089 -1.129 19750 5690 1 16 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.476 -2.726 19750 5691 1 16 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.131 0.119 19750 5692 1 16 . 1 1 5 5 GLN H H 5 8.051 8.051 8.507 -0.456 19750 5693 1 16 . 1 1 6 6 GLN N N 6 119.480 119.480 117.938 1.542 19750 5694 1 16 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.936 0.432 19750 5695 1 16 . 1 1 6 6 GLN C C 6 176.720 176.720 178.641 -1.921 19750 5696 1 16 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.965 -2.845 19750 5697 1 16 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.342 -0.122 19750 5698 1 16 . 1 1 6 6 GLN H H 6 8.018 8.018 7.767 0.251 19750 5699 1 16 . 1 1 7 7 GLN N N 7 120.360 120.360 118.184 2.176 19750 5700 1 16 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.038 0.151 19750 5701 1 16 . 1 1 7 7 GLN C C 7 176.180 176.180 178.707 -2.527 19750 5702 1 16 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.612 -1.762 19750 5703 1 16 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.349 -0.270 19750 5704 1 16 . 1 1 7 7 GLN H H 7 8.151 8.151 7.849 0.302 19750 5705 1 16 . 1 1 8 8 ASN N N 8 119.230 119.230 118.813 0.417 19750 5706 1 16 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.632 -0.180 19750 5707 1 16 . 1 1 8 8 ASN C C 8 176.300 176.300 177.500 -1.200 19750 5708 1 16 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.501 -0.701 19750 5709 1 16 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.378 -0.178 19750 5710 1 16 . 1 1 8 8 ASN H H 8 8.256 8.256 8.488 -0.232 19750 5711 1 16 . 1 1 9 9 ASN N N 9 119.840 119.840 120.498 -0.658 19750 5712 1 16 . 1 1 9 9 ASN C C 9 177.150 177.150 177.536 -0.386 19750 5713 1 16 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.470 -0.530 19750 5714 1 16 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.355 -0.675 19750 5715 1 16 . 1 1 9 9 ASN H H 9 8.319 8.319 8.662 -0.343 19750 5716 1 16 . 1 1 10 10 LEU N N 10 122.900 122.900 121.679 1.221 19750 5717 1 16 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.038 0.096 19750 5718 1 16 . 1 1 10 10 LEU C C 10 178.050 178.050 178.194 -0.144 19750 5719 1 16 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.258 -0.568 19750 5720 1 16 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.004 -1.244 19750 5721 1 16 . 1 1 10 10 LEU H H 10 8.194 8.194 8.424 -0.230 19750 5722 1 16 . 1 1 11 11 LEU N N 11 118.800 118.800 118.053 0.747 19750 5723 1 16 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.035 -0.027 19750 5724 1 16 . 1 1 11 11 LEU C C 11 178.830 178.830 178.792 0.038 19750 5725 1 16 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.105 0.564 19750 5726 1 16 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.983 -1.753 19750 5727 1 16 . 1 1 11 11 LEU H H 11 8.030 8.030 7.620 0.410 19750 5728 1 16 . 1 1 12 12 ARG N N 12 117.710 117.710 118.664 -0.954 19750 5729 1 16 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.027 -0.014 19750 5730 1 16 . 1 1 12 12 ARG C C 12 178.840 178.840 178.645 0.195 19750 5731 1 16 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.068 -0.448 19750 5732 1 16 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.207 -1.157 19750 5733 1 16 . 1 1 12 12 ARG H H 12 7.845 7.845 7.586 0.259 19750 5734 1 16 . 1 1 13 13 ALA N N 13 121.870 121.870 122.790 -0.920 19750 5735 1 16 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.093 0.101 19750 5736 1 16 . 1 1 13 13 ALA C C 13 180.040 180.040 179.236 0.804 19750 5737 1 16 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.977 -0.497 19750 5738 1 16 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.205 -0.705 19750 5739 1 16 . 1 1 13 13 ALA H H 13 7.681 7.681 8.546 -0.865 19750 5740 1 16 . 1 1 14 14 ILE N N 14 118.010 118.010 118.657 -0.647 19750 5741 1 16 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.690 0.043 19750 5742 1 16 . 1 1 14 14 ILE C C 14 177.760 177.760 178.318 -0.558 19750 5743 1 16 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.047 -0.707 19750 5744 1 16 . 1 1 14 14 ILE CB C 14 37.200 37.200 37.958 -0.758 19750 5745 1 16 . 1 1 14 14 ILE H H 14 7.975 7.975 7.602 0.373 19750 5746 1 16 . 1 1 15 15 GLU N N 15 117.430 117.430 118.687 -1.257 19750 5747 1 16 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.434 -0.482 19750 5748 1 16 . 1 1 15 15 GLU C C 15 177.030 177.030 177.913 -0.883 19750 5749 1 16 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.989 -1.069 19750 5750 1 16 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.501 -2.081 19750 5751 1 16 . 1 1 15 15 GLU H H 15 8.110 8.110 7.974 0.136 19750 5752 1 16 . 1 1 16 16 ALA N N 16 119.580 119.580 119.594 -0.014 19750 5753 1 16 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.323 0.020 19750 5754 1 16 . 1 1 16 16 ALA C C 16 178.570 178.570 177.021 1.549 19750 5755 1 16 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.798 -0.148 19750 5756 1 16 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.321 0.759 19750 5757 1 16 . 1 1 16 16 ALA H H 16 7.457 7.457 7.937 -0.480 19750 5758 1 16 . 1 1 17 17 GLN N N 17 118.840 118.840 113.992 4.848 19750 5759 1 16 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.473 -0.042 19750 5760 1 16 . 1 1 17 17 GLN C C 17 176.160 176.160 176.319 -0.159 19750 5761 1 16 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.549 -0.919 19750 5762 1 16 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.373 -2.993 19750 5763 1 16 . 1 1 17 17 GLN H H 17 7.642 7.642 7.954 -0.312 19750 5764 1 16 . 1 1 18 18 GLN N N 18 120.730 120.730 120.937 -0.207 19750 5765 1 16 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.959 0.058 19750 5766 1 16 . 1 1 18 18 GLN C C 18 177.480 177.480 177.487 -0.007 19750 5767 1 16 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.424 -1.134 19750 5768 1 16 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.723 -0.603 19750 5769 1 16 . 1 1 18 18 GLN H H 18 7.975 7.975 7.595 0.380 19750 5770 1 16 . 1 1 19 19 HIS N N 19 117.470 117.470 118.698 -1.228 19750 5771 1 16 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.386 0.288 19750 5772 1 16 . 1 1 19 19 HIS C C 19 176.330 176.330 177.520 -1.190 19750 5773 1 16 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.583 -2.623 19750 5774 1 16 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.500 -2.080 19750 5775 1 16 . 1 1 19 19 HIS H H 19 8.697 8.697 8.448 0.249 19750 5776 1 16 . 1 1 20 20 LEU N N 20 120.410 120.410 122.090 -1.680 19750 5777 1 16 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.141 -0.091 19750 5778 1 16 . 1 1 20 20 LEU C C 20 179.680 179.680 178.342 1.338 19750 5779 1 16 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.641 0.099 19750 5780 1 16 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.181 -0.351 19750 5781 1 16 . 1 1 20 20 LEU H H 20 8.026 8.026 8.393 -0.367 19750 5782 1 16 . 1 1 21 21 LEU N N 21 121.930 121.930 119.204 2.726 19750 5783 1 16 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.960 0.099 19750 5784 1 16 . 1 1 21 21 LEU C C 21 178.540 178.540 179.403 -0.863 19750 5785 1 16 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.585 -0.455 19750 5786 1 16 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.817 -0.687 19750 5787 1 16 . 1 1 21 21 LEU H H 21 8.433 8.433 7.618 0.815 19750 5788 1 16 . 1 1 22 22 GLN N N 22 118.540 118.540 117.853 0.687 19750 5789 1 16 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.215 -0.202 19750 5790 1 16 . 1 1 22 22 GLN C C 22 179.430 179.430 178.675 0.755 19750 5791 1 16 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.481 0.419 19750 5792 1 16 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.586 -1.116 19750 5793 1 16 . 1 1 22 22 GLN H H 22 8.087 8.087 7.578 0.509 19750 5794 1 16 . 1 1 23 23 LEU N N 23 120.750 120.750 121.338 -0.588 19750 5795 1 16 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.998 0.233 19750 5796 1 16 . 1 1 23 23 LEU C C 23 178.420 178.420 178.801 -0.381 19750 5797 1 16 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.247 -0.617 19750 5798 1 16 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.134 -0.844 19750 5799 1 16 . 1 1 23 23 LEU H H 23 8.013 8.013 8.635 -0.622 19750 5800 1 16 . 1 1 24 24 THR N N 24 116.790 116.790 115.702 1.088 19750 5801 1 16 . 1 1 24 24 THR C C 24 176.180 176.180 176.685 -0.505 19750 5802 1 16 . 1 1 24 24 THR H H 24 8.024 8.024 8.547 -0.523 19750 5803 1 16 . 1 1 25 25 VAL N N 25 121.130 121.130 121.071 0.059 19750 5804 1 16 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.869 -0.294 19750 5805 1 16 . 1 1 25 25 VAL C C 25 177.600 177.600 177.995 -0.395 19750 5806 1 16 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.408 0.412 19750 5807 1 16 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.573 -0.743 19750 5808 1 16 . 1 1 25 25 VAL H H 25 8.068 8.068 7.464 0.604 19750 5809 1 16 . 1 1 26 26 TRP N N 26 120.520 120.520 120.335 0.185 19750 5810 1 16 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.708 -0.528 19750 5811 1 16 . 1 1 26 26 TRP C C 26 178.700 178.700 178.653 0.047 19750 5812 1 16 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.536 0.894 19750 5813 1 16 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.982 -1.242 19750 5814 1 16 . 1 1 26 26 TRP H H 26 7.983 7.983 8.700 -0.717 19750 5815 1 16 . 1 1 27 27 GLY N N 27 107.880 107.880 108.907 -1.027 19750 5816 1 16 . 1 1 27 27 GLY C C 27 174.990 174.990 175.854 -0.864 19750 5817 1 16 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.150 0.090 19750 5818 1 16 . 1 1 27 27 GLY H H 27 8.846 8.846 8.774 0.072 19750 5819 1 16 . 1 1 28 28 ILE N N 28 122.330 122.330 117.960 4.370 19750 5820 1 16 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.863 -0.251 19750 5821 1 16 . 1 1 28 28 ILE C C 28 178.030 178.030 177.285 0.745 19750 5822 1 16 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.288 0.572 19750 5823 1 16 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.461 -0.951 19750 5824 1 16 . 1 1 28 28 ILE H H 28 8.427 8.427 7.907 0.520 19750 5825 1 16 . 1 1 29 29 LYS N N 29 119.850 119.850 120.992 -1.142 19750 5826 1 16 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.948 0.074 19750 5827 1 16 . 1 1 29 29 LYS C C 29 180.050 180.050 178.909 1.141 19750 5828 1 16 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.216 0.054 19750 5829 1 16 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.953 -1.273 19750 5830 1 16 . 1 1 29 29 LYS H H 29 7.993 7.993 7.488 0.505 19750 5831 1 16 . 1 1 30 30 GLN N N 30 118.870 118.870 118.526 0.344 19750 5832 1 16 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.082 -0.242 19750 5833 1 16 . 1 1 30 30 GLN C C 30 178.750 178.750 178.599 0.151 19750 5834 1 16 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.332 -1.172 19750 5835 1 16 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.498 -1.638 19750 5836 1 16 . 1 1 30 30 GLN H H 30 7.800 7.800 7.765 0.035 19750 5837 1 16 . 1 1 31 31 LEU N N 31 120.220 120.220 120.830 -0.610 19750 5838 1 16 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.113 -0.147 19750 5839 1 16 . 1 1 31 31 LEU C C 31 179.300 179.300 178.835 0.465 19750 5840 1 16 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.974 -0.764 19750 5841 1 16 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.735 -1.075 19750 5842 1 16 . 1 1 31 31 LEU H H 31 7.873 7.873 7.770 0.103 19750 5843 1 16 . 1 1 32 32 GLN N N 32 118.830 118.830 119.367 -0.537 19750 5844 1 16 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.877 0.066 19750 5845 1 16 . 1 1 32 32 GLN C C 32 177.910 177.910 178.335 -0.425 19750 5846 1 16 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.942 -0.722 19750 5847 1 16 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.501 -0.481 19750 5848 1 16 . 1 1 32 32 GLN H H 32 8.216 8.216 7.904 0.312 19750 5849 1 16 . 1 1 33 33 ALA N N 33 121.340 121.340 119.338 2.002 19750 5850 1 16 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.114 0.071 19750 5851 1 16 . 1 1 33 33 ALA C C 33 179.050 179.050 177.931 1.119 19750 5852 1 16 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.546 -0.086 19750 5853 1 16 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.349 -0.629 19750 5854 1 16 . 1 1 33 33 ALA H H 33 7.647 7.647 7.576 0.071 19750 5855 1 16 . 1 1 34 34 ARG N N 34 117.580 117.580 117.992 -0.412 19750 5856 1 16 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.148 0.158 19750 5857 1 16 . 1 1 34 34 ARG C C 34 176.800 176.800 176.698 0.102 19750 5858 1 16 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.208 -0.978 19750 5859 1 16 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.733 -1.083 19750 5860 1 16 . 1 1 34 34 ARG H H 34 7.612 7.612 8.181 -0.569 19750 5861 1 16 . 1 1 35 35 SER N N 35 114.960 114.960 114.005 0.955 19750 5862 1 16 . 1 1 35 35 SER HA H 35 4.343 4.343 4.484 -0.141 19750 5863 1 16 . 1 1 35 35 SER C C 35 175.290 175.290 175.898 -0.608 19750 5864 1 16 . 1 1 35 35 SER CA C 35 58.930 58.930 58.137 0.793 19750 5865 1 16 . 1 1 35 35 SER CB C 35 63.370 63.370 64.550 -1.180 19750 5866 1 16 . 1 1 35 35 SER H H 35 7.827 7.827 7.671 0.156 19750 5867 1 16 . 1 1 36 36 GLY N N 36 110.340 110.340 111.551 -1.211 19750 5868 1 16 . 1 1 36 36 GLY C C 36 174.840 174.840 174.036 0.804 19750 5869 1 16 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.229 1.111 19750 5870 1 16 . 1 1 36 36 GLY H H 36 8.132 8.132 8.703 -0.571 19750 5871 1 16 . 1 1 37 37 GLY N N 37 108.880 108.880 107.628 1.252 19750 5872 1 16 . 1 1 37 37 GLY C C 37 174.400 174.400 174.324 0.076 19750 5873 1 16 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.661 0.309 19750 5874 1 16 . 1 1 37 37 GLY H H 37 8.190 8.190 7.591 0.599 19750 5875 1 16 . 1 1 38 38 ARG N N 38 120.630 120.630 122.876 -2.246 19750 5876 1 16 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.614 -0.299 19750 5877 1 16 . 1 1 38 38 ARG C C 38 176.900 176.900 175.847 1.053 19750 5878 1 16 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.461 0.589 19750 5879 1 16 . 1 1 38 38 ARG CB C 38 29.750 29.750 30.177 -0.427 19750 5880 1 16 . 1 1 38 38 ARG H H 38 8.118 8.118 8.518 -0.400 19750 5881 1 16 . 1 1 39 39 GLY N N 39 109.360 109.360 108.938 0.422 19750 5882 1 16 . 1 1 39 39 GLY C C 39 174.690 174.690 173.998 0.692 19750 5883 1 16 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.725 0.395 19750 5884 1 16 . 1 1 39 39 GLY H H 39 8.374 8.374 8.359 0.015 19750 5885 1 16 . 1 1 40 40 GLY N N 40 109.060 109.060 107.455 1.605 19750 5886 1 16 . 1 1 40 40 GLY C C 40 174.680 174.680 174.050 0.630 19750 5887 1 16 . 1 1 40 40 GLY CA C 40 45.080 45.080 45.019 0.061 19750 5888 1 16 . 1 1 40 40 GLY H H 40 7.995 7.995 8.329 -0.334 19750 5889 1 16 . 1 1 41 41 TRP N N 41 121.260 121.260 126.733 -5.473 19750 5890 1 16 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.786 -0.387 19750 5891 1 16 . 1 1 41 41 TRP C C 41 177.300 177.300 175.722 1.578 19750 5892 1 16 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.468 1.112 19750 5893 1 16 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.543 -1.853 19750 5894 1 16 . 1 1 41 41 TRP H H 41 8.176 8.176 8.939 -0.763 19750 5895 1 16 . 1 1 42 42 MET N N 42 118.570 118.570 121.197 -2.627 19750 5896 1 16 . 1 1 42 42 MET HA H 42 4.185 4.185 4.468 -0.283 19750 5897 1 16 . 1 1 42 42 MET C C 42 177.930 177.930 178.181 -0.251 19750 5898 1 16 . 1 1 42 42 MET CA C 42 57.460 57.460 58.670 -1.210 19750 5899 1 16 . 1 1 42 42 MET CB C 42 30.920 30.920 32.209 -1.289 19750 5900 1 16 . 1 1 42 42 MET H H 42 8.120 8.120 7.999 0.121 19750 5901 1 16 . 1 1 43 43 GLU N N 43 119.600 119.600 118.846 0.754 19750 5902 1 16 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.943 0.256 19750 5903 1 16 . 1 1 43 43 GLU C C 43 177.980 177.980 178.950 -0.970 19750 5904 1 16 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.310 -2.790 19750 5905 1 16 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.992 -1.432 19750 5906 1 16 . 1 1 43 43 GLU H H 43 7.834 7.834 8.943 -1.109 19750 5907 1 16 . 1 1 44 44 TRP N N 44 120.890 120.890 116.453 4.437 19750 5908 1 16 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.583 -0.091 19750 5909 1 16 . 1 1 44 44 TRP C C 44 177.480 177.480 177.489 -0.009 19750 5910 1 16 . 1 1 44 44 TRP CA C 44 58.960 58.960 57.587 1.373 19750 5911 1 16 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.467 -0.047 19750 5912 1 16 . 1 1 44 44 TRP H H 44 7.824 7.824 8.301 -0.477 19750 5913 1 16 . 1 1 45 45 ASP N N 45 118.210 118.210 119.304 -1.094 19750 5914 1 16 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.670 -0.318 19750 5915 1 16 . 1 1 45 45 ASP C C 45 177.070 177.070 176.979 0.091 19750 5916 1 16 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.477 -0.527 19750 5917 1 16 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.746 -2.486 19750 5918 1 16 . 1 1 45 45 ASP H H 45 8.325 8.325 8.873 -0.548 19750 5919 1 16 . 1 1 46 46 ARG N N 46 119.510 119.510 119.573 -0.063 19750 5920 1 16 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.367 -0.266 19750 5921 1 16 . 1 1 46 46 ARG C C 46 178.410 178.410 177.942 0.468 19750 5922 1 16 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.188 0.252 19750 5923 1 16 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.282 -2.092 19750 5924 1 16 . 1 1 46 46 ARG H H 46 7.860 7.860 7.554 0.306 19750 5925 1 16 . 1 1 47 47 GLU N N 47 118.470 118.470 120.802 -2.332 19750 5926 1 16 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.180 0.107 19750 5927 1 16 . 1 1 47 47 GLU C C 47 178.170 178.170 178.614 -0.444 19750 5928 1 16 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.099 -1.289 19750 5929 1 16 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.497 -1.777 19750 5930 1 16 . 1 1 47 47 GLU H H 47 7.874 7.874 7.826 0.048 19750 5931 1 16 . 1 1 48 48 ILE N N 48 118.800 118.800 115.170 3.630 19750 5932 1 16 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.814 0.115 19750 5933 1 16 . 1 1 48 48 ILE C C 48 178.060 178.060 177.307 0.753 19750 5934 1 16 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.975 0.055 19750 5935 1 16 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.433 -0.443 19750 5936 1 16 . 1 1 48 48 ILE H H 48 8.199 8.199 7.606 0.593 19750 5937 1 16 . 1 1 49 49 ASN N N 49 119.580 119.580 118.974 0.606 19750 5938 1 16 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.682 -0.083 19750 5939 1 16 . 1 1 49 49 ASN C C 49 177.110 177.110 177.072 0.038 19750 5940 1 16 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.533 0.167 19750 5941 1 16 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.185 -0.105 19750 5942 1 16 . 1 1 49 49 ASN H H 49 8.085 8.085 8.005 0.080 19750 5943 1 16 . 1 1 50 50 ASN N N 50 118.690 118.690 120.104 -1.414 19750 5944 1 16 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.429 0.105 19750 5945 1 16 . 1 1 50 50 ASN C C 50 177.120 177.120 177.343 -0.223 19750 5946 1 16 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.489 -1.429 19750 5947 1 16 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.566 -0.886 19750 5948 1 16 . 1 1 50 50 ASN H H 50 8.020 8.020 8.064 -0.044 19750 5949 1 16 . 1 1 51 51 TYR N N 51 118.430 118.430 117.967 0.463 19750 5950 1 16 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.464 0.070 19750 5951 1 16 . 1 1 51 51 TYR C C 51 177.480 177.480 176.221 1.259 19750 5952 1 16 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.079 0.351 19750 5953 1 16 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.730 -1.020 19750 5954 1 16 . 1 1 51 51 TYR H H 51 8.106 8.106 7.739 0.367 19750 5955 1 16 . 1 1 52 52 THR N N 52 114.470 114.470 115.106 -0.636 19750 5956 1 16 . 1 1 52 52 THR HA H 52 3.943 3.943 4.285 -0.342 19750 5957 1 16 . 1 1 52 52 THR C C 52 176.970 176.970 176.065 0.905 19750 5958 1 16 . 1 1 52 52 THR CA C 52 66.220 66.220 65.396 0.824 19750 5959 1 16 . 1 1 52 52 THR CB C 52 67.580 67.580 69.112 -1.532 19750 5960 1 16 . 1 1 52 52 THR H H 52 8.247 8.247 7.971 0.276 19750 5961 1 16 . 1 1 53 53 SER N N 53 118.260 118.260 118.520 -0.260 19750 5962 1 16 . 1 1 53 53 SER HA H 53 4.338 4.338 4.475 -0.137 19750 5963 1 16 . 1 1 53 53 SER C C 53 176.990 176.990 175.892 1.098 19750 5964 1 16 . 1 1 53 53 SER CA C 53 61.300 61.300 61.043 0.257 19750 5965 1 16 . 1 1 53 53 SER CB C 53 62.020 62.020 63.058 -1.038 19750 5966 1 16 . 1 1 53 53 SER H H 53 8.064 8.064 7.763 0.301 19750 5967 1 16 . 1 1 54 54 LEU N N 54 123.950 123.950 122.806 1.144 19750 5968 1 16 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.076 0.174 19750 5969 1 16 . 1 1 54 54 LEU C C 54 179.060 179.060 177.552 1.508 19750 5970 1 16 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.849 -0.159 19750 5971 1 16 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.127 -1.137 19750 5972 1 16 . 1 1 54 54 LEU H H 54 7.631 7.631 7.403 0.228 19750 5973 1 16 . 1 1 55 55 ILE N N 55 118.770 118.770 116.208 2.562 19750 5974 1 16 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.855 -0.136 19750 5975 1 16 . 1 1 55 55 ILE C C 55 177.570 177.570 176.761 0.809 19750 5976 1 16 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.106 2.414 19750 5977 1 16 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.791 -1.331 19750 5978 1 16 . 1 1 55 55 ILE H H 55 8.051 8.051 7.524 0.527 19750 5979 1 16 . 1 1 56 56 HIS N N 56 117.770 117.770 120.192 -2.422 19750 5980 1 16 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.447 -0.192 19750 5981 1 16 . 1 1 56 56 HIS C C 56 176.790 176.790 177.185 -0.395 19750 5982 1 16 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.823 0.267 19750 5983 1 16 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.810 -2.210 19750 5984 1 16 . 1 1 56 56 HIS H H 56 8.339 8.339 7.728 0.611 19750 5985 1 16 . 1 1 57 57 SER N N 57 115.350 115.350 115.443 -0.093 19750 5986 1 16 . 1 1 57 57 SER HA H 57 4.245 4.245 4.215 0.030 19750 5987 1 16 . 1 1 57 57 SER C C 57 175.990 175.990 175.917 0.073 19750 5988 1 16 . 1 1 57 57 SER CA C 57 61.580 61.580 62.224 -0.644 19750 5989 1 16 . 1 1 57 57 SER CB C 57 62.280 62.280 63.259 -0.979 19750 5990 1 16 . 1 1 57 57 SER H H 57 8.137 8.137 7.899 0.238 19750 5991 1 16 . 1 1 58 58 LEU N N 58 122.540 122.540 122.352 0.188 19750 5992 1 16 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.133 0.029 19750 5993 1 16 . 1 1 58 58 LEU C C 58 178.930 178.930 177.684 1.246 19750 5994 1 16 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.270 0.020 19750 5995 1 16 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.059 -0.869 19750 5996 1 16 . 1 1 58 58 LEU H H 58 7.914 7.914 7.563 0.351 19750 5997 1 16 . 1 1 59 59 ILE N N 59 118.010 118.010 117.925 0.085 19750 5998 1 16 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.773 0.016 19750 5999 1 16 . 1 1 59 59 ILE C C 59 178.120 178.120 177.446 0.674 19750 6000 1 16 . 1 1 59 59 ILE CA C 59 63.830 63.830 64.844 -1.014 19750 6001 1 16 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.323 -1.173 19750 6002 1 16 . 1 1 59 59 ILE H H 59 7.921 7.921 7.152 0.769 19750 6003 1 16 . 1 1 60 60 GLU N N 60 119.640 119.640 120.022 -0.382 19750 6004 1 16 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.846 0.288 19750 6005 1 16 . 1 1 60 60 GLU C C 60 177.950 177.950 177.901 0.049 19750 6006 1 16 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.310 -1.750 19750 6007 1 16 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.621 -1.911 19750 6008 1 16 . 1 1 60 60 GLU H H 60 7.925 7.925 7.897 0.028 19750 6009 1 16 . 1 1 61 61 GLU N N 61 118.990 118.990 116.343 2.647 19750 6010 1 16 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.227 0.018 19750 6011 1 16 . 1 1 61 61 GLU C C 61 177.450 177.450 177.697 -0.247 19750 6012 1 16 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.049 -0.949 19750 6013 1 16 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.834 -2.214 19750 6014 1 16 . 1 1 61 61 GLU H H 61 8.048 8.048 7.856 0.192 19750 6015 1 16 . 1 1 62 62 SER N N 62 115.260 115.260 114.516 0.744 19750 6016 1 16 . 1 1 62 62 SER HA H 62 4.324 4.324 4.455 -0.131 19750 6017 1 16 . 1 1 62 62 SER C C 62 174.940 174.940 174.662 0.278 19750 6018 1 16 . 1 1 62 62 SER CA C 62 59.620 59.620 60.138 -0.518 19750 6019 1 16 . 1 1 62 62 SER CB C 62 63.130 63.130 63.746 -0.616 19750 6020 1 16 . 1 1 62 62 SER H H 62 7.893 7.893 7.607 0.286 19750 6021 1 16 . 1 1 63 63 GLN N N 63 120.400 120.400 120.888 -0.488 19750 6022 1 16 . 1 1 63 63 GLN C C 63 176.070 176.070 175.057 1.013 19750 6023 1 16 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.321 0.469 19750 6024 1 16 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.302 0.398 19750 6025 1 16 . 1 1 63 63 GLN H H 63 7.824 7.824 8.004 -0.180 19750 6026 1 16 . 1 1 64 64 ASN N N 64 119.180 119.180 123.305 -4.125 19750 6027 1 16 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.805 -0.110 19750 6028 1 16 . 1 1 64 64 ASN C C 64 175.300 175.300 174.942 0.358 19750 6029 1 16 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.842 0.438 19750 6030 1 16 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.884 -1.544 19750 6031 1 16 . 1 1 64 64 ASN H H 64 8.059 8.059 8.322 -0.263 19750 6032 1 16 . 1 1 65 65 GLN N N 65 120.740 120.740 121.914 -1.174 19750 6033 1 16 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.628 -0.308 19750 6034 1 16 . 1 1 65 65 GLN C C 65 175.890 175.890 174.756 1.134 19750 6035 1 16 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.389 0.311 19750 6036 1 16 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.486 -1.956 19750 6037 1 16 . 1 1 65 65 GLN H H 65 8.144 8.144 8.530 -0.386 19750 6038 1 16 . 1 1 66 66 GLN N N 66 121.070 121.070 121.977 -0.907 19750 6039 1 16 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.385 -0.065 19750 6040 1 16 . 1 1 66 66 GLN C C 66 175.840 175.840 175.197 0.643 19750 6041 1 16 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.179 -0.569 19750 6042 1 16 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.306 -1.637 19750 6043 1 16 . 1 1 66 66 GLN H H 66 8.199 8.199 8.714 -0.515 19750 6044 1 16 . 1 1 67 67 GLU N N 67 122.320 122.320 121.379 0.941 19750 6045 1 16 . 1 1 67 67 GLU C C 67 175.200 175.200 175.353 -0.153 19750 6046 1 16 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.474 -0.824 19750 6047 1 16 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.211 -1.801 19750 6048 1 16 . 1 1 67 67 GLU H H 67 8.194 8.194 8.489 -0.295 19750 6049 1 17 . 1 1 2 2 GLY N N 2 110.890 110.890 111.579 -0.689 19750 6050 1 17 . 1 1 2 2 GLY C C 2 174.890 174.890 174.545 0.345 19750 6051 1 17 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.004 0.546 19750 6052 1 17 . 1 1 2 2 GLY H H 2 8.294 8.294 7.909 0.385 19750 6053 1 17 . 1 1 3 3 ILE N N 3 120.800 120.800 121.105 -0.305 19750 6054 1 17 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.812 0.220 19750 6055 1 17 . 1 1 3 3 ILE C C 3 176.740 176.740 177.592 -0.852 19750 6056 1 17 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.109 -0.869 19750 6057 1 17 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.436 -0.976 19750 6058 1 17 . 1 1 3 3 ILE H H 3 7.861 7.861 8.189 -0.328 19750 6059 1 17 . 1 1 4 4 VAL N N 4 121.090 121.090 119.591 1.499 19750 6060 1 17 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.800 0.083 19750 6061 1 17 . 1 1 4 4 VAL C C 4 176.990 176.990 177.669 -0.679 19750 6062 1 17 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.700 -2.080 19750 6063 1 17 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.650 -0.480 19750 6064 1 17 . 1 1 4 4 VAL H H 4 7.857 7.857 7.830 0.027 19750 6065 1 17 . 1 1 5 5 GLN N N 5 121.380 121.380 119.815 1.565 19750 6066 1 17 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.904 0.331 19750 6067 1 17 . 1 1 5 5 GLN C C 5 176.960 176.960 178.087 -1.127 19750 6068 1 17 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.490 -2.740 19750 6069 1 17 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.115 0.135 19750 6070 1 17 . 1 1 5 5 GLN H H 5 8.051 8.051 8.620 -0.569 19750 6071 1 17 . 1 1 6 6 GLN N N 6 119.480 119.480 118.005 1.475 19750 6072 1 17 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.940 0.428 19750 6073 1 17 . 1 1 6 6 GLN C C 6 176.720 176.720 178.671 -1.951 19750 6074 1 17 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.931 -2.811 19750 6075 1 17 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.407 -0.188 19750 6076 1 17 . 1 1 6 6 GLN H H 6 8.018 8.018 7.701 0.317 19750 6077 1 17 . 1 1 7 7 GLN N N 7 120.360 120.360 118.509 1.851 19750 6078 1 17 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.030 0.159 19750 6079 1 17 . 1 1 7 7 GLN C C 7 176.180 176.180 178.741 -2.561 19750 6080 1 17 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.693 -1.843 19750 6081 1 17 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.383 -0.303 19750 6082 1 17 . 1 1 7 7 GLN H H 7 8.151 8.151 7.717 0.434 19750 6083 1 17 . 1 1 8 8 ASN N N 8 119.230 119.230 118.367 0.863 19750 6084 1 17 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.596 -0.144 19750 6085 1 17 . 1 1 8 8 ASN C C 8 176.300 176.300 177.603 -1.303 19750 6086 1 17 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.416 -0.616 19750 6087 1 17 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.238 -0.038 19750 6088 1 17 . 1 1 8 8 ASN H H 8 8.256 8.256 8.652 -0.396 19750 6089 1 17 . 1 1 9 9 ASN N N 9 119.840 119.840 120.069 -0.229 19750 6090 1 17 . 1 1 9 9 ASN C C 9 177.150 177.150 177.308 -0.158 19750 6091 1 17 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.102 -0.163 19750 6092 1 17 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.515 -0.835 19750 6093 1 17 . 1 1 9 9 ASN H H 9 8.319 8.319 8.548 -0.229 19750 6094 1 17 . 1 1 10 10 LEU N N 10 122.900 122.900 122.277 0.623 19750 6095 1 17 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.042 0.092 19750 6096 1 17 . 1 1 10 10 LEU C C 10 178.050 178.050 178.201 -0.151 19750 6097 1 17 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.341 -0.651 19750 6098 1 17 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.017 -1.257 19750 6099 1 17 . 1 1 10 10 LEU H H 10 8.194 8.194 8.462 -0.268 19750 6100 1 17 . 1 1 11 11 LEU N N 11 118.800 118.800 117.652 1.148 19750 6101 1 17 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.022 -0.014 19750 6102 1 17 . 1 1 11 11 LEU C C 11 178.830 178.830 178.754 0.076 19750 6103 1 17 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.118 0.552 19750 6104 1 17 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.973 -1.743 19750 6105 1 17 . 1 1 11 11 LEU H H 11 8.030 8.030 7.455 0.575 19750 6106 1 17 . 1 1 12 12 ARG N N 12 117.710 117.710 118.456 -0.746 19750 6107 1 17 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.027 -0.014 19750 6108 1 17 . 1 1 12 12 ARG C C 12 178.840 178.840 178.464 0.376 19750 6109 1 17 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.022 -0.402 19750 6110 1 17 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.112 -1.062 19750 6111 1 17 . 1 1 12 12 ARG H H 12 7.845 7.845 7.437 0.408 19750 6112 1 17 . 1 1 13 13 ALA N N 13 121.870 121.870 122.783 -0.913 19750 6113 1 17 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.106 0.088 19750 6114 1 17 . 1 1 13 13 ALA C C 13 180.040 180.040 179.125 0.915 19750 6115 1 17 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.904 -0.424 19750 6116 1 17 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.227 -0.727 19750 6117 1 17 . 1 1 13 13 ALA H H 13 7.681 7.681 8.567 -0.886 19750 6118 1 17 . 1 1 14 14 ILE N N 14 118.010 118.010 118.540 -0.530 19750 6119 1 17 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.714 0.019 19750 6120 1 17 . 1 1 14 14 ILE C C 14 177.760 177.760 178.124 -0.364 19750 6121 1 17 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.911 -0.571 19750 6122 1 17 . 1 1 14 14 ILE CB C 14 37.200 37.200 37.992 -0.792 19750 6123 1 17 . 1 1 14 14 ILE H H 14 7.975 7.975 7.554 0.421 19750 6124 1 17 . 1 1 15 15 GLU N N 15 117.430 117.430 118.698 -1.268 19750 6125 1 17 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.418 -0.466 19750 6126 1 17 . 1 1 15 15 GLU C C 15 177.030 177.030 177.817 -0.787 19750 6127 1 17 . 1 1 15 15 GLU CA C 15 57.920 57.920 59.016 -1.096 19750 6128 1 17 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.536 -2.116 19750 6129 1 17 . 1 1 15 15 GLU H H 15 8.110 8.110 7.982 0.128 19750 6130 1 17 . 1 1 16 16 ALA N N 16 119.580 119.580 119.642 -0.062 19750 6131 1 17 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.307 0.036 19750 6132 1 17 . 1 1 16 16 ALA C C 16 178.570 178.570 176.964 1.606 19750 6133 1 17 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.781 -0.131 19750 6134 1 17 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.238 0.843 19750 6135 1 17 . 1 1 16 16 ALA H H 16 7.457 7.457 8.099 -0.642 19750 6136 1 17 . 1 1 17 17 GLN N N 17 118.840 118.840 113.971 4.869 19750 6137 1 17 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.465 -0.034 19750 6138 1 17 . 1 1 17 17 GLN C C 17 176.160 176.160 176.275 -0.115 19750 6139 1 17 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.593 -0.963 19750 6140 1 17 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.413 -3.033 19750 6141 1 17 . 1 1 17 17 GLN H H 17 7.642 7.642 8.047 -0.405 19750 6142 1 17 . 1 1 18 18 GLN N N 18 120.730 120.730 120.990 -0.260 19750 6143 1 17 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.951 0.066 19750 6144 1 17 . 1 1 18 18 GLN C C 18 177.480 177.480 177.491 -0.011 19750 6145 1 17 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.400 -1.110 19750 6146 1 17 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.734 -0.614 19750 6147 1 17 . 1 1 18 18 GLN H H 18 7.975 7.975 7.618 0.357 19750 6148 1 17 . 1 1 19 19 HIS N N 19 117.470 117.470 118.715 -1.245 19750 6149 1 17 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.384 0.290 19750 6150 1 17 . 1 1 19 19 HIS C C 19 176.330 176.330 177.502 -1.172 19750 6151 1 17 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.533 -2.573 19750 6152 1 17 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.497 -2.077 19750 6153 1 17 . 1 1 19 19 HIS H H 19 8.697 8.697 8.451 0.246 19750 6154 1 17 . 1 1 20 20 LEU N N 20 120.410 120.410 121.867 -1.457 19750 6155 1 17 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.123 -0.073 19750 6156 1 17 . 1 1 20 20 LEU C C 20 179.680 179.680 178.164 1.516 19750 6157 1 17 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.552 0.188 19750 6158 1 17 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.059 -0.229 19750 6159 1 17 . 1 1 20 20 LEU H H 20 8.026 8.026 8.376 -0.350 19750 6160 1 17 . 1 1 21 21 LEU N N 21 121.930 121.930 119.261 2.669 19750 6161 1 17 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.951 0.108 19750 6162 1 17 . 1 1 21 21 LEU C C 21 178.540 178.540 179.428 -0.888 19750 6163 1 17 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.621 -0.491 19750 6164 1 17 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.796 -0.666 19750 6165 1 17 . 1 1 21 21 LEU H H 21 8.433 8.433 7.624 0.809 19750 6166 1 17 . 1 1 22 22 GLN N N 22 118.540 118.540 117.961 0.579 19750 6167 1 17 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.197 -0.184 19750 6168 1 17 . 1 1 22 22 GLN C C 22 179.430 179.430 178.653 0.777 19750 6169 1 17 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.519 0.381 19750 6170 1 17 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.538 -1.068 19750 6171 1 17 . 1 1 22 22 GLN H H 22 8.087 8.087 7.587 0.500 19750 6172 1 17 . 1 1 23 23 LEU N N 23 120.750 120.750 121.113 -0.363 19750 6173 1 17 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.983 0.248 19750 6174 1 17 . 1 1 23 23 LEU C C 23 178.420 178.420 178.771 -0.351 19750 6175 1 17 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.341 -0.711 19750 6176 1 17 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.087 -0.797 19750 6177 1 17 . 1 1 23 23 LEU H H 23 8.013 8.013 8.664 -0.651 19750 6178 1 17 . 1 1 24 24 THR N N 24 116.790 116.790 115.827 0.963 19750 6179 1 17 . 1 1 24 24 THR C C 24 176.180 176.180 176.711 -0.531 19750 6180 1 17 . 1 1 24 24 THR H H 24 8.024 8.024 8.525 -0.501 19750 6181 1 17 . 1 1 25 25 VAL N N 25 121.130 121.130 120.872 0.258 19750 6182 1 17 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.884 -0.309 19750 6183 1 17 . 1 1 25 25 VAL C C 25 177.600 177.600 177.861 -0.261 19750 6184 1 17 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.142 0.678 19750 6185 1 17 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.532 -0.702 19750 6186 1 17 . 1 1 25 25 VAL H H 25 8.068 8.068 7.476 0.592 19750 6187 1 17 . 1 1 26 26 TRP N N 26 120.520 120.520 120.575 -0.055 19750 6188 1 17 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.666 -0.486 19750 6189 1 17 . 1 1 26 26 TRP C C 26 178.700 178.700 178.618 0.082 19750 6190 1 17 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.663 0.767 19750 6191 1 17 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.145 -1.405 19750 6192 1 17 . 1 1 26 26 TRP H H 26 7.983 7.983 8.588 -0.605 19750 6193 1 17 . 1 1 27 27 GLY N N 27 107.880 107.880 108.004 -0.124 19750 6194 1 17 . 1 1 27 27 GLY C C 27 174.990 174.990 176.148 -1.158 19750 6195 1 17 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.481 -0.241 19750 6196 1 17 . 1 1 27 27 GLY H H 27 8.846 8.846 9.043 -0.197 19750 6197 1 17 . 1 1 28 28 ILE N N 28 122.330 122.330 117.148 5.182 19750 6198 1 17 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.913 -0.301 19750 6199 1 17 . 1 1 28 28 ILE C C 28 178.030 178.030 177.319 0.711 19750 6200 1 17 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.059 0.801 19750 6201 1 17 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.631 -1.121 19750 6202 1 17 . 1 1 28 28 ILE H H 28 8.427 8.427 7.649 0.778 19750 6203 1 17 . 1 1 29 29 LYS N N 29 119.850 119.850 121.210 -1.360 19750 6204 1 17 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.970 0.052 19750 6205 1 17 . 1 1 29 29 LYS C C 29 180.050 180.050 178.905 1.145 19750 6206 1 17 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.196 0.074 19750 6207 1 17 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.916 -1.236 19750 6208 1 17 . 1 1 29 29 LYS H H 29 7.993 7.993 7.802 0.191 19750 6209 1 17 . 1 1 30 30 GLN N N 30 118.870 118.870 118.346 0.524 19750 6210 1 17 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.086 -0.246 19750 6211 1 17 . 1 1 30 30 GLN C C 30 178.750 178.750 178.671 0.079 19750 6212 1 17 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.301 -1.141 19750 6213 1 17 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.443 -1.583 19750 6214 1 17 . 1 1 30 30 GLN H H 30 7.800 7.800 7.928 -0.128 19750 6215 1 17 . 1 1 31 31 LEU N N 31 120.220 120.220 121.012 -0.792 19750 6216 1 17 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.137 -0.171 19750 6217 1 17 . 1 1 31 31 LEU C C 31 179.300 179.300 178.794 0.506 19750 6218 1 17 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.941 -0.731 19750 6219 1 17 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.727 -1.067 19750 6220 1 17 . 1 1 31 31 LEU H H 31 7.873 7.873 7.641 0.232 19750 6221 1 17 . 1 1 32 32 GLN N N 32 118.830 118.830 119.543 -0.713 19750 6222 1 17 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.870 0.073 19750 6223 1 17 . 1 1 32 32 GLN C C 32 177.910 177.910 178.301 -0.391 19750 6224 1 17 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.998 -0.778 19750 6225 1 17 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.536 -0.516 19750 6226 1 17 . 1 1 32 32 GLN H H 32 8.216 8.216 7.869 0.347 19750 6227 1 17 . 1 1 33 33 ALA N N 33 121.340 121.340 119.235 2.105 19750 6228 1 17 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.125 0.060 19750 6229 1 17 . 1 1 33 33 ALA C C 33 179.050 179.050 177.879 1.171 19750 6230 1 17 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.447 0.013 19750 6231 1 17 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.380 -0.660 19750 6232 1 17 . 1 1 33 33 ALA H H 33 7.647 7.647 7.552 0.095 19750 6233 1 17 . 1 1 34 34 ARG N N 34 117.580 117.580 117.908 -0.328 19750 6234 1 17 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.150 0.156 19750 6235 1 17 . 1 1 34 34 ARG C C 34 176.800 176.800 176.478 0.322 19750 6236 1 17 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.049 -0.819 19750 6237 1 17 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.652 -1.002 19750 6238 1 17 . 1 1 34 34 ARG H H 34 7.612 7.612 8.132 -0.520 19750 6239 1 17 . 1 1 35 35 SER N N 35 114.960 114.960 113.810 1.150 19750 6240 1 17 . 1 1 35 35 SER HA H 35 4.343 4.343 4.549 -0.206 19750 6241 1 17 . 1 1 35 35 SER C C 35 175.290 175.290 175.679 -0.389 19750 6242 1 17 . 1 1 35 35 SER CA C 35 58.930 58.930 57.700 1.230 19750 6243 1 17 . 1 1 35 35 SER CB C 35 63.370 63.370 64.829 -1.459 19750 6244 1 17 . 1 1 35 35 SER H H 35 7.827 7.827 7.628 0.199 19750 6245 1 17 . 1 1 36 36 GLY N N 36 110.340 110.340 110.402 -0.062 19750 6246 1 17 . 1 1 36 36 GLY C C 36 174.840 174.840 174.131 0.709 19750 6247 1 17 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.194 1.146 19750 6248 1 17 . 1 1 36 36 GLY H H 36 8.132 8.132 8.698 -0.566 19750 6249 1 17 . 1 1 37 37 GLY N N 37 108.880 108.880 107.090 1.790 19750 6250 1 17 . 1 1 37 37 GLY C C 37 174.400 174.400 174.669 -0.269 19750 6251 1 17 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.532 0.438 19750 6252 1 17 . 1 1 37 37 GLY H H 37 8.190 8.190 7.343 0.847 19750 6253 1 17 . 1 1 38 38 ARG N N 38 120.630 120.630 121.942 -1.312 19750 6254 1 17 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.512 -0.197 19750 6255 1 17 . 1 1 38 38 ARG C C 38 176.900 176.900 175.969 0.931 19750 6256 1 17 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.687 0.363 19750 6257 1 17 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.595 0.155 19750 6258 1 17 . 1 1 38 38 ARG H H 38 8.118 8.118 8.440 -0.322 19750 6259 1 17 . 1 1 39 39 GLY N N 39 109.360 109.360 108.672 0.688 19750 6260 1 17 . 1 1 39 39 GLY C C 39 174.690 174.690 173.905 0.785 19750 6261 1 17 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.557 0.563 19750 6262 1 17 . 1 1 39 39 GLY H H 39 8.374 8.374 8.214 0.160 19750 6263 1 17 . 1 1 40 40 GLY N N 40 109.060 109.060 107.535 1.525 19750 6264 1 17 . 1 1 40 40 GLY C C 40 174.680 174.680 174.050 0.630 19750 6265 1 17 . 1 1 40 40 GLY CA C 40 45.080 45.080 45.000 0.080 19750 6266 1 17 . 1 1 40 40 GLY H H 40 7.995 7.995 8.371 -0.376 19750 6267 1 17 . 1 1 41 41 TRP N N 41 121.260 121.260 127.068 -5.808 19750 6268 1 17 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.794 -0.395 19750 6269 1 17 . 1 1 41 41 TRP C C 41 177.300 177.300 176.213 1.087 19750 6270 1 17 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.333 1.247 19750 6271 1 17 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.827 -2.137 19750 6272 1 17 . 1 1 41 41 TRP H H 41 8.176 8.176 8.928 -0.752 19750 6273 1 17 . 1 1 42 42 MET N N 42 118.570 118.570 120.237 -1.667 19750 6274 1 17 . 1 1 42 42 MET HA H 42 4.185 4.185 4.137 0.048 19750 6275 1 17 . 1 1 42 42 MET C C 42 177.930 177.930 178.422 -0.492 19750 6276 1 17 . 1 1 42 42 MET CA C 42 57.460 57.460 58.667 -1.207 19750 6277 1 17 . 1 1 42 42 MET CB C 42 30.920 30.920 32.320 -1.400 19750 6278 1 17 . 1 1 42 42 MET H H 42 8.120 8.120 8.273 -0.153 19750 6279 1 17 . 1 1 43 43 GLU N N 43 119.600 119.600 119.039 0.561 19750 6280 1 17 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.956 0.243 19750 6281 1 17 . 1 1 43 43 GLU C C 43 177.980 177.980 178.767 -0.787 19750 6282 1 17 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.081 -2.561 19750 6283 1 17 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.957 -1.397 19750 6284 1 17 . 1 1 43 43 GLU H H 43 7.834 7.834 8.768 -0.934 19750 6285 1 17 . 1 1 44 44 TRP N N 44 120.890 120.890 117.274 3.616 19750 6286 1 17 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.406 0.086 19750 6287 1 17 . 1 1 44 44 TRP C C 44 177.480 177.480 177.769 -0.289 19750 6288 1 17 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.023 -0.063 19750 6289 1 17 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.618 -0.198 19750 6290 1 17 . 1 1 44 44 TRP H H 44 7.824 7.824 8.516 -0.692 19750 6291 1 17 . 1 1 45 45 ASP N N 45 118.210 118.210 117.794 0.416 19750 6292 1 17 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.624 -0.272 19750 6293 1 17 . 1 1 45 45 ASP C C 45 177.070 177.070 176.979 0.091 19750 6294 1 17 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.054 -0.104 19750 6295 1 17 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.653 -2.393 19750 6296 1 17 . 1 1 45 45 ASP H H 45 8.325 8.325 7.893 0.432 19750 6297 1 17 . 1 1 46 46 ARG N N 46 119.510 119.510 119.810 -0.300 19750 6298 1 17 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.367 -0.266 19750 6299 1 17 . 1 1 46 46 ARG C C 46 178.410 178.410 178.002 0.408 19750 6300 1 17 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.229 0.211 19750 6301 1 17 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.302 -2.112 19750 6302 1 17 . 1 1 46 46 ARG H H 46 7.860 7.860 8.191 -0.331 19750 6303 1 17 . 1 1 47 47 GLU N N 47 118.470 118.470 120.910 -2.440 19750 6304 1 17 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.169 0.118 19750 6305 1 17 . 1 1 47 47 GLU C C 47 178.170 178.170 178.633 -0.463 19750 6306 1 17 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.129 -1.319 19750 6307 1 17 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.486 -1.766 19750 6308 1 17 . 1 1 47 47 GLU H H 47 7.874 7.874 7.600 0.274 19750 6309 1 17 . 1 1 48 48 ILE N N 48 118.800 118.800 115.140 3.660 19750 6310 1 17 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.802 0.127 19750 6311 1 17 . 1 1 48 48 ILE C C 48 178.060 178.060 177.307 0.753 19750 6312 1 17 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.999 0.031 19750 6313 1 17 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.427 -0.437 19750 6314 1 17 . 1 1 48 48 ILE H H 48 8.199 8.199 7.593 0.606 19750 6315 1 17 . 1 1 49 49 ASN N N 49 119.580 119.580 118.961 0.619 19750 6316 1 17 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.676 -0.077 19750 6317 1 17 . 1 1 49 49 ASN C C 49 177.110 177.110 177.066 0.044 19750 6318 1 17 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.532 0.168 19750 6319 1 17 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.181 -0.101 19750 6320 1 17 . 1 1 49 49 ASN H H 49 8.085 8.085 7.996 0.089 19750 6321 1 17 . 1 1 50 50 ASN N N 50 118.690 118.690 120.096 -1.406 19750 6322 1 17 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.424 0.110 19750 6323 1 17 . 1 1 50 50 ASN C C 50 177.120 177.120 177.337 -0.217 19750 6324 1 17 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.483 -1.423 19750 6325 1 17 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.560 -0.880 19750 6326 1 17 . 1 1 50 50 ASN H H 50 8.020 8.020 8.056 -0.036 19750 6327 1 17 . 1 1 51 51 TYR N N 51 118.430 118.430 117.967 0.463 19750 6328 1 17 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.460 0.074 19750 6329 1 17 . 1 1 51 51 TYR C C 51 177.480 177.480 176.219 1.261 19750 6330 1 17 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.078 0.352 19750 6331 1 17 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.727 -1.017 19750 6332 1 17 . 1 1 51 51 TYR H H 51 8.106 8.106 7.733 0.373 19750 6333 1 17 . 1 1 52 52 THR N N 52 114.470 114.470 115.114 -0.644 19750 6334 1 17 . 1 1 52 52 THR HA H 52 3.943 3.943 4.280 -0.337 19750 6335 1 17 . 1 1 52 52 THR C C 52 176.970 176.970 176.067 0.903 19750 6336 1 17 . 1 1 52 52 THR CA C 52 66.220 66.220 65.399 0.821 19750 6337 1 17 . 1 1 52 52 THR CB C 52 67.580 67.580 69.102 -1.522 19750 6338 1 17 . 1 1 52 52 THR H H 52 8.247 8.247 7.966 0.281 19750 6339 1 17 . 1 1 53 53 SER N N 53 118.260 118.260 118.501 -0.241 19750 6340 1 17 . 1 1 53 53 SER HA H 53 4.338 4.338 4.467 -0.129 19750 6341 1 17 . 1 1 53 53 SER C C 53 176.990 176.990 175.882 1.108 19750 6342 1 17 . 1 1 53 53 SER CA C 53 61.300 61.300 61.017 0.283 19750 6343 1 17 . 1 1 53 53 SER CB C 53 62.020 62.020 63.066 -1.046 19750 6344 1 17 . 1 1 53 53 SER H H 53 8.064 8.064 7.756 0.308 19750 6345 1 17 . 1 1 54 54 LEU N N 54 123.950 123.950 122.803 1.147 19750 6346 1 17 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.086 0.164 19750 6347 1 17 . 1 1 54 54 LEU C C 54 179.060 179.060 177.667 1.393 19750 6348 1 17 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.625 0.065 19750 6349 1 17 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.162 -1.172 19750 6350 1 17 . 1 1 54 54 LEU H H 54 7.631 7.631 7.344 0.287 19750 6351 1 17 . 1 1 55 55 ILE N N 55 118.770 118.770 116.076 2.694 19750 6352 1 17 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.896 -0.177 19750 6353 1 17 . 1 1 55 55 ILE C C 55 177.570 177.570 176.833 0.737 19750 6354 1 17 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.049 2.471 19750 6355 1 17 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.932 -1.472 19750 6356 1 17 . 1 1 55 55 ILE H H 55 8.051 8.051 7.512 0.539 19750 6357 1 17 . 1 1 56 56 HIS N N 56 117.770 117.770 120.478 -2.708 19750 6358 1 17 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.436 -0.181 19750 6359 1 17 . 1 1 56 56 HIS C C 56 176.790 176.790 177.151 -0.361 19750 6360 1 17 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.065 0.025 19750 6361 1 17 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.743 -2.143 19750 6362 1 17 . 1 1 56 56 HIS H H 56 8.339 8.339 7.762 0.577 19750 6363 1 17 . 1 1 57 57 SER N N 57 115.350 115.350 115.172 0.178 19750 6364 1 17 . 1 1 57 57 SER HA H 57 4.245 4.245 4.262 -0.017 19750 6365 1 17 . 1 1 57 57 SER C C 57 175.990 175.990 175.993 -0.003 19750 6366 1 17 . 1 1 57 57 SER CA C 57 61.580 61.580 61.235 0.345 19750 6367 1 17 . 1 1 57 57 SER CB C 57 62.280 62.280 62.908 -0.628 19750 6368 1 17 . 1 1 57 57 SER H H 57 8.137 8.137 7.848 0.289 19750 6369 1 17 . 1 1 58 58 LEU N N 58 122.540 122.540 123.231 -0.691 19750 6370 1 17 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.133 0.029 19750 6371 1 17 . 1 1 58 58 LEU C C 58 178.930 178.930 177.958 0.972 19750 6372 1 17 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.351 -0.061 19750 6373 1 17 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.168 -0.978 19750 6374 1 17 . 1 1 58 58 LEU H H 58 7.914 7.914 7.549 0.365 19750 6375 1 17 . 1 1 59 59 ILE N N 59 118.010 118.010 118.673 -0.663 19750 6376 1 17 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.631 0.158 19750 6377 1 17 . 1 1 59 59 ILE C C 59 178.120 178.120 177.678 0.442 19750 6378 1 17 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.673 -1.843 19750 6379 1 17 . 1 1 59 59 ILE CB C 59 37.150 37.150 37.931 -0.781 19750 6380 1 17 . 1 1 59 59 ILE H H 59 7.921 7.921 7.460 0.461 19750 6381 1 17 . 1 1 60 60 GLU N N 60 119.640 119.640 119.257 0.383 19750 6382 1 17 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.830 0.304 19750 6383 1 17 . 1 1 60 60 GLU C C 60 177.950 177.950 177.797 0.153 19750 6384 1 17 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.254 -1.694 19750 6385 1 17 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.471 -1.761 19750 6386 1 17 . 1 1 60 60 GLU H H 60 7.925 7.925 7.753 0.172 19750 6387 1 17 . 1 1 61 61 GLU N N 61 118.990 118.990 116.504 2.486 19750 6388 1 17 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.259 -0.014 19750 6389 1 17 . 1 1 61 61 GLU C C 61 177.450 177.450 177.763 -0.313 19750 6390 1 17 . 1 1 61 61 GLU CA C 61 57.100 57.100 57.989 -0.889 19750 6391 1 17 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.866 -2.247 19750 6392 1 17 . 1 1 61 61 GLU H H 61 8.048 8.048 7.577 0.471 19750 6393 1 17 . 1 1 62 62 SER N N 62 115.260 115.260 115.021 0.239 19750 6394 1 17 . 1 1 62 62 SER HA H 62 4.324 4.324 4.414 -0.090 19750 6395 1 17 . 1 1 62 62 SER C C 62 174.940 174.940 174.658 0.282 19750 6396 1 17 . 1 1 62 62 SER CA C 62 59.620 59.620 60.570 -0.950 19750 6397 1 17 . 1 1 62 62 SER CB C 62 63.130 63.130 63.892 -0.762 19750 6398 1 17 . 1 1 62 62 SER H H 62 7.893 7.893 7.581 0.312 19750 6399 1 17 . 1 1 63 63 GLN N N 63 120.400 120.400 120.797 -0.397 19750 6400 1 17 . 1 1 63 63 GLN C C 63 176.070 176.070 175.066 1.004 19750 6401 1 17 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.369 0.421 19750 6402 1 17 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.118 0.582 19750 6403 1 17 . 1 1 63 63 GLN H H 63 7.824 7.824 7.979 -0.155 19750 6404 1 17 . 1 1 64 64 ASN N N 64 119.180 119.180 123.248 -4.068 19750 6405 1 17 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.820 -0.125 19750 6406 1 17 . 1 1 64 64 ASN C C 64 175.300 175.300 174.970 0.330 19750 6407 1 17 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.744 0.536 19750 6408 1 17 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.987 -1.647 19750 6409 1 17 . 1 1 64 64 ASN H H 64 8.059 8.059 8.233 -0.174 19750 6410 1 17 . 1 1 65 65 GLN N N 65 120.740 120.740 121.870 -1.130 19750 6411 1 17 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.651 -0.331 19750 6412 1 17 . 1 1 65 65 GLN C C 65 175.890 175.890 174.780 1.110 19750 6413 1 17 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.333 0.367 19750 6414 1 17 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.643 -2.113 19750 6415 1 17 . 1 1 65 65 GLN H H 65 8.144 8.144 8.530 -0.386 19750 6416 1 17 . 1 1 66 66 GLN N N 66 121.070 121.070 120.920 0.150 19750 6417 1 17 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.353 -0.033 19750 6418 1 17 . 1 1 66 66 GLN C C 66 175.840 175.840 175.133 0.707 19750 6419 1 17 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.239 -0.629 19750 6420 1 17 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.181 -1.511 19750 6421 1 17 . 1 1 66 66 GLN H H 66 8.199 8.199 8.701 -0.502 19750 6422 1 17 . 1 1 67 67 GLU N N 67 122.320 122.320 121.315 1.005 19750 6423 1 17 . 1 1 67 67 GLU C C 67 175.200 175.200 175.364 -0.164 19750 6424 1 17 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.511 -0.861 19750 6425 1 17 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.194 -1.784 19750 6426 1 17 . 1 1 67 67 GLU H H 67 8.194 8.194 8.471 -0.277 19750 6427 1 18 . 1 1 2 2 GLY N N 2 110.890 110.890 111.675 -0.785 19750 6428 1 18 . 1 1 2 2 GLY C C 2 174.890 174.890 174.664 0.226 19750 6429 1 18 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.981 0.569 19750 6430 1 18 . 1 1 2 2 GLY H H 2 8.294 8.294 7.946 0.348 19750 6431 1 18 . 1 1 3 3 ILE N N 3 120.800 120.800 120.945 -0.145 19750 6432 1 18 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.786 0.246 19750 6433 1 18 . 1 1 3 3 ILE C C 3 176.740 176.740 177.576 -0.836 19750 6434 1 18 . 1 1 3 3 ILE CA C 3 62.240 62.240 63.217 -0.977 19750 6435 1 18 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.367 -0.907 19750 6436 1 18 . 1 1 3 3 ILE H H 3 7.861 7.861 8.196 -0.335 19750 6437 1 18 . 1 1 4 4 VAL N N 4 121.090 121.090 119.589 1.501 19750 6438 1 18 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.820 0.063 19750 6439 1 18 . 1 1 4 4 VAL C C 4 176.990 176.990 177.669 -0.679 19750 6440 1 18 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.755 -2.135 19750 6441 1 18 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.701 -0.531 19750 6442 1 18 . 1 1 4 4 VAL H H 4 7.857 7.857 7.750 0.107 19750 6443 1 18 . 1 1 5 5 GLN N N 5 121.380 121.380 119.774 1.606 19750 6444 1 18 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.901 0.334 19750 6445 1 18 . 1 1 5 5 GLN C C 5 176.960 176.960 178.118 -1.158 19750 6446 1 18 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.585 -2.835 19750 6447 1 18 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.152 0.098 19750 6448 1 18 . 1 1 5 5 GLN H H 5 8.051 8.051 8.601 -0.550 19750 6449 1 18 . 1 1 6 6 GLN N N 6 119.480 119.480 118.046 1.434 19750 6450 1 18 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.917 0.451 19750 6451 1 18 . 1 1 6 6 GLN C C 6 176.720 176.720 178.619 -1.899 19750 6452 1 18 . 1 1 6 6 GLN CA C 6 56.120 56.120 59.013 -2.893 19750 6453 1 18 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.327 -0.107 19750 6454 1 18 . 1 1 6 6 GLN H H 6 8.018 8.018 7.794 0.224 19750 6455 1 18 . 1 1 7 7 GLN N N 7 120.360 120.360 118.263 2.097 19750 6456 1 18 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.028 0.161 19750 6457 1 18 . 1 1 7 7 GLN C C 7 176.180 176.180 178.732 -2.552 19750 6458 1 18 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.692 -1.842 19750 6459 1 18 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.373 -0.293 19750 6460 1 18 . 1 1 7 7 GLN H H 7 8.151 8.151 7.820 0.331 19750 6461 1 18 . 1 1 8 8 ASN N N 8 119.230 119.230 118.770 0.460 19750 6462 1 18 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.595 -0.143 19750 6463 1 18 . 1 1 8 8 ASN C C 8 176.300 176.300 177.600 -1.300 19750 6464 1 18 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.518 -0.718 19750 6465 1 18 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.257 -0.057 19750 6466 1 18 . 1 1 8 8 ASN H H 8 8.256 8.256 8.526 -0.270 19750 6467 1 18 . 1 1 9 9 ASN N N 9 119.840 119.840 120.428 -0.588 19750 6468 1 18 . 1 1 9 9 ASN C C 9 177.150 177.150 177.547 -0.397 19750 6469 1 18 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.472 -0.532 19750 6470 1 18 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.365 -0.685 19750 6471 1 18 . 1 1 9 9 ASN H H 9 8.319 8.319 8.731 -0.412 19750 6472 1 18 . 1 1 10 10 LEU N N 10 122.900 122.900 121.782 1.118 19750 6473 1 18 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.028 0.106 19750 6474 1 18 . 1 1 10 10 LEU C C 10 178.050 178.050 178.261 -0.211 19750 6475 1 18 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.275 -0.585 19750 6476 1 18 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.010 -1.250 19750 6477 1 18 . 1 1 10 10 LEU H H 10 8.194 8.194 8.523 -0.329 19750 6478 1 18 . 1 1 11 11 LEU N N 11 118.800 118.800 118.028 0.772 19750 6479 1 18 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.053 -0.045 19750 6480 1 18 . 1 1 11 11 LEU C C 11 178.830 178.830 178.761 0.069 19750 6481 1 18 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.057 0.613 19750 6482 1 18 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.993 -1.763 19750 6483 1 18 . 1 1 11 11 LEU H H 11 8.030 8.030 7.508 0.522 19750 6484 1 18 . 1 1 12 12 ARG N N 12 117.710 117.710 118.875 -1.165 19750 6485 1 18 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.039 -0.026 19750 6486 1 18 . 1 1 12 12 ARG C C 12 178.840 178.840 178.690 0.150 19750 6487 1 18 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.088 -0.468 19750 6488 1 18 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.241 -1.191 19750 6489 1 18 . 1 1 12 12 ARG H H 12 7.845 7.845 7.598 0.247 19750 6490 1 18 . 1 1 13 13 ALA N N 13 121.870 121.870 122.594 -0.724 19750 6491 1 18 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.092 0.102 19750 6492 1 18 . 1 1 13 13 ALA C C 13 180.040 180.040 179.239 0.801 19750 6493 1 18 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.962 -0.481 19750 6494 1 18 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.231 -0.731 19750 6495 1 18 . 1 1 13 13 ALA H H 13 7.681 7.681 8.554 -0.873 19750 6496 1 18 . 1 1 14 14 ILE N N 14 118.010 118.010 118.617 -0.607 19750 6497 1 18 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.686 0.047 19750 6498 1 18 . 1 1 14 14 ILE C C 14 177.760 177.760 178.400 -0.640 19750 6499 1 18 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.123 -0.783 19750 6500 1 18 . 1 1 14 14 ILE CB C 14 37.200 37.200 37.992 -0.792 19750 6501 1 18 . 1 1 14 14 ILE H H 14 7.975 7.975 7.573 0.402 19750 6502 1 18 . 1 1 15 15 GLU N N 15 117.430 117.430 118.792 -1.362 19750 6503 1 18 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.440 -0.488 19750 6504 1 18 . 1 1 15 15 GLU C C 15 177.030 177.030 177.985 -0.955 19750 6505 1 18 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.965 -1.045 19750 6506 1 18 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.495 -2.075 19750 6507 1 18 . 1 1 15 15 GLU H H 15 8.110 8.110 7.910 0.200 19750 6508 1 18 . 1 1 16 16 ALA N N 16 119.580 119.580 119.529 0.051 19750 6509 1 18 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.324 0.019 19750 6510 1 18 . 1 1 16 16 ALA C C 16 178.570 178.570 177.057 1.513 19750 6511 1 18 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.823 -0.173 19750 6512 1 18 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.380 0.700 19750 6513 1 18 . 1 1 16 16 ALA H H 16 7.457 7.457 7.930 -0.473 19750 6514 1 18 . 1 1 17 17 GLN N N 17 118.840 118.840 114.035 4.805 19750 6515 1 18 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.475 -0.044 19750 6516 1 18 . 1 1 17 17 GLN C C 17 176.160 176.160 176.306 -0.146 19750 6517 1 18 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.532 -0.902 19750 6518 1 18 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.372 -2.992 19750 6519 1 18 . 1 1 17 17 GLN H H 17 7.642 7.642 7.915 -0.273 19750 6520 1 18 . 1 1 18 18 GLN N N 18 120.730 120.730 120.944 -0.214 19750 6521 1 18 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.952 0.065 19750 6522 1 18 . 1 1 18 18 GLN C C 18 177.480 177.480 177.452 0.028 19750 6523 1 18 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.388 -1.098 19750 6524 1 18 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.727 -0.607 19750 6525 1 18 . 1 1 18 18 GLN H H 18 7.975 7.975 7.593 0.382 19750 6526 1 18 . 1 1 19 19 HIS N N 19 117.470 117.470 118.645 -1.175 19750 6527 1 18 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.385 0.289 19750 6528 1 18 . 1 1 19 19 HIS C C 19 176.330 176.330 177.497 -1.167 19750 6529 1 18 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.543 -2.583 19750 6530 1 18 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.498 -2.078 19750 6531 1 18 . 1 1 19 19 HIS H H 19 8.697 8.697 8.441 0.256 19750 6532 1 18 . 1 1 20 20 LEU N N 20 120.410 120.410 122.074 -1.664 19750 6533 1 18 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.127 -0.077 19750 6534 1 18 . 1 1 20 20 LEU C C 20 179.680 179.680 178.377 1.303 19750 6535 1 18 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.653 0.087 19750 6536 1 18 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.181 -0.351 19750 6537 1 18 . 1 1 20 20 LEU H H 20 8.026 8.026 8.396 -0.370 19750 6538 1 18 . 1 1 21 21 LEU N N 21 121.930 121.930 119.147 2.783 19750 6539 1 18 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.944 0.115 19750 6540 1 18 . 1 1 21 21 LEU C C 21 178.540 178.540 179.443 -0.903 19750 6541 1 18 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.555 -0.425 19750 6542 1 18 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.778 -0.647 19750 6543 1 18 . 1 1 21 21 LEU H H 21 8.433 8.433 7.621 0.812 19750 6544 1 18 . 1 1 22 22 GLN N N 22 118.540 118.540 117.945 0.595 19750 6545 1 18 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.184 -0.171 19750 6546 1 18 . 1 1 22 22 GLN C C 22 179.430 179.430 178.605 0.825 19750 6547 1 18 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.530 0.370 19750 6548 1 18 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.579 -1.109 19750 6549 1 18 . 1 1 22 22 GLN H H 22 8.087 8.087 7.567 0.520 19750 6550 1 18 . 1 1 23 23 LEU N N 23 120.750 120.750 121.204 -0.454 19750 6551 1 18 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.954 0.277 19750 6552 1 18 . 1 1 23 23 LEU C C 23 178.420 178.420 178.735 -0.315 19750 6553 1 18 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.410 -0.780 19750 6554 1 18 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.072 -0.782 19750 6555 1 18 . 1 1 23 23 LEU H H 23 8.013 8.013 8.598 -0.585 19750 6556 1 18 . 1 1 24 24 THR N N 24 116.790 116.790 115.684 1.106 19750 6557 1 18 . 1 1 24 24 THR C C 24 176.180 176.180 176.693 -0.513 19750 6558 1 18 . 1 1 24 24 THR H H 24 8.024 8.024 8.556 -0.532 19750 6559 1 18 . 1 1 25 25 VAL N N 25 121.130 121.130 120.981 0.149 19750 6560 1 18 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.855 -0.280 19750 6561 1 18 . 1 1 25 25 VAL C C 25 177.600 177.600 178.121 -0.521 19750 6562 1 18 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.426 0.394 19750 6563 1 18 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.523 -0.694 19750 6564 1 18 . 1 1 25 25 VAL H H 25 8.068 8.068 7.464 0.604 19750 6565 1 18 . 1 1 26 26 TRP N N 26 120.520 120.520 120.536 -0.016 19750 6566 1 18 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.678 -0.498 19750 6567 1 18 . 1 1 26 26 TRP C C 26 178.700 178.700 178.681 0.019 19750 6568 1 18 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.488 0.942 19750 6569 1 18 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.020 -1.280 19750 6570 1 18 . 1 1 26 26 TRP H H 26 7.983 7.983 8.685 -0.702 19750 6571 1 18 . 1 1 27 27 GLY N N 27 107.880 107.880 108.838 -0.958 19750 6572 1 18 . 1 1 27 27 GLY C C 27 174.990 174.990 175.949 -0.959 19750 6573 1 18 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.309 -0.069 19750 6574 1 18 . 1 1 27 27 GLY H H 27 8.846 8.846 8.964 -0.118 19750 6575 1 18 . 1 1 28 28 ILE N N 28 122.330 122.330 118.037 4.293 19750 6576 1 18 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.838 -0.226 19750 6577 1 18 . 1 1 28 28 ILE C C 28 178.030 178.030 177.318 0.712 19750 6578 1 18 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.406 0.454 19750 6579 1 18 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.472 -0.962 19750 6580 1 18 . 1 1 28 28 ILE H H 28 8.427 8.427 8.076 0.351 19750 6581 1 18 . 1 1 29 29 LYS N N 29 119.850 119.850 120.857 -1.007 19750 6582 1 18 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.979 0.043 19750 6583 1 18 . 1 1 29 29 LYS C C 29 180.050 180.050 178.962 1.088 19750 6584 1 18 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.132 0.138 19750 6585 1 18 . 1 1 29 29 LYS CB C 29 30.680 30.680 32.017 -1.337 19750 6586 1 18 . 1 1 29 29 LYS H H 29 7.993 7.993 7.488 0.505 19750 6587 1 18 . 1 1 30 30 GLN N N 30 118.870 118.870 118.727 0.143 19750 6588 1 18 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.088 -0.248 19750 6589 1 18 . 1 1 30 30 GLN C C 30 178.750 178.750 178.704 0.046 19750 6590 1 18 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.276 -1.116 19750 6591 1 18 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.544 -1.684 19750 6592 1 18 . 1 1 30 30 GLN H H 30 7.800 7.800 7.910 -0.110 19750 6593 1 18 . 1 1 31 31 LEU N N 31 120.220 120.220 121.161 -0.941 19750 6594 1 18 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.067 -0.101 19750 6595 1 18 . 1 1 31 31 LEU C C 31 179.300 179.300 178.764 0.536 19750 6596 1 18 . 1 1 31 31 LEU CA C 31 57.210 57.210 58.025 -0.815 19750 6597 1 18 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.711 -1.051 19750 6598 1 18 . 1 1 31 31 LEU H H 31 7.873 7.873 8.204 -0.331 19750 6599 1 18 . 1 1 32 32 GLN N N 32 118.830 118.830 119.144 -0.314 19750 6600 1 18 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.872 0.071 19750 6601 1 18 . 1 1 32 32 GLN C C 32 177.910 177.910 178.304 -0.394 19750 6602 1 18 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.979 -0.759 19750 6603 1 18 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.488 -0.468 19750 6604 1 18 . 1 1 32 32 GLN H H 32 8.216 8.216 7.789 0.427 19750 6605 1 18 . 1 1 33 33 ALA N N 33 121.340 121.340 119.253 2.087 19750 6606 1 18 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.116 0.069 19750 6607 1 18 . 1 1 33 33 ALA C C 33 179.050 179.050 177.927 1.123 19750 6608 1 18 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.555 -0.095 19750 6609 1 18 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.366 -0.647 19750 6610 1 18 . 1 1 33 33 ALA H H 33 7.647 7.647 7.521 0.126 19750 6611 1 18 . 1 1 34 34 ARG N N 34 117.580 117.580 117.957 -0.377 19750 6612 1 18 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.174 0.132 19750 6613 1 18 . 1 1 34 34 ARG C C 34 176.800 176.800 176.640 0.160 19750 6614 1 18 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.032 -0.802 19750 6615 1 18 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.791 -1.141 19750 6616 1 18 . 1 1 34 34 ARG H H 34 7.612 7.612 8.225 -0.613 19750 6617 1 18 . 1 1 35 35 SER N N 35 114.960 114.960 114.007 0.953 19750 6618 1 18 . 1 1 35 35 SER HA H 35 4.343 4.343 4.506 -0.163 19750 6619 1 18 . 1 1 35 35 SER C C 35 175.290 175.290 175.873 -0.583 19750 6620 1 18 . 1 1 35 35 SER CA C 35 58.930 58.930 57.988 0.942 19750 6621 1 18 . 1 1 35 35 SER CB C 35 63.370 63.370 64.599 -1.229 19750 6622 1 18 . 1 1 35 35 SER H H 35 7.827 7.827 7.599 0.228 19750 6623 1 18 . 1 1 36 36 GLY N N 36 110.340 110.340 110.778 -0.438 19750 6624 1 18 . 1 1 36 36 GLY C C 36 174.840 174.840 173.992 0.848 19750 6625 1 18 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.200 1.139 19750 6626 1 18 . 1 1 36 36 GLY H H 36 8.132 8.132 8.683 -0.551 19750 6627 1 18 . 1 1 37 37 GLY N N 37 108.880 108.880 106.817 2.063 19750 6628 1 18 . 1 1 37 37 GLY C C 37 174.400 174.400 174.615 -0.215 19750 6629 1 18 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.446 0.524 19750 6630 1 18 . 1 1 37 37 GLY H H 37 8.190 8.190 7.486 0.704 19750 6631 1 18 . 1 1 38 38 ARG N N 38 120.630 120.630 122.072 -1.442 19750 6632 1 18 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.530 -0.215 19750 6633 1 18 . 1 1 38 38 ARG C C 38 176.900 176.900 176.016 0.884 19750 6634 1 18 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.670 0.380 19750 6635 1 18 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.771 -0.021 19750 6636 1 18 . 1 1 38 38 ARG H H 38 8.118 8.118 8.435 -0.317 19750 6637 1 18 . 1 1 39 39 GLY N N 39 109.360 109.360 108.529 0.831 19750 6638 1 18 . 1 1 39 39 GLY C C 39 174.690 174.690 174.033 0.657 19750 6639 1 18 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.460 0.660 19750 6640 1 18 . 1 1 39 39 GLY H H 39 8.374 8.374 8.059 0.315 19750 6641 1 18 . 1 1 40 40 GLY N N 40 109.060 109.060 107.542 1.518 19750 6642 1 18 . 1 1 40 40 GLY C C 40 174.680 174.680 174.057 0.623 19750 6643 1 18 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.818 0.262 19750 6644 1 18 . 1 1 40 40 GLY H H 40 7.995 7.995 8.413 -0.418 19750 6645 1 18 . 1 1 41 41 TRP N N 41 121.260 121.260 126.840 -5.580 19750 6646 1 18 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.770 -0.371 19750 6647 1 18 . 1 1 41 41 TRP C C 41 177.300 177.300 175.737 1.563 19750 6648 1 18 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.370 1.210 19750 6649 1 18 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.594 -1.904 19750 6650 1 18 . 1 1 41 41 TRP H H 41 8.176 8.176 9.002 -0.826 19750 6651 1 18 . 1 1 42 42 MET N N 42 118.570 118.570 121.044 -2.474 19750 6652 1 18 . 1 1 42 42 MET HA H 42 4.185 4.185 4.509 -0.324 19750 6653 1 18 . 1 1 42 42 MET C C 42 177.930 177.930 178.249 -0.319 19750 6654 1 18 . 1 1 42 42 MET CA C 42 57.460 57.460 58.419 -0.959 19750 6655 1 18 . 1 1 42 42 MET CB C 42 30.920 30.920 32.338 -1.418 19750 6656 1 18 . 1 1 42 42 MET H H 42 8.120 8.120 8.008 0.112 19750 6657 1 18 . 1 1 43 43 GLU N N 43 119.600 119.600 119.001 0.599 19750 6658 1 18 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.956 0.243 19750 6659 1 18 . 1 1 43 43 GLU C C 43 177.980 177.980 178.963 -0.983 19750 6660 1 18 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.327 -2.807 19750 6661 1 18 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.973 -1.413 19750 6662 1 18 . 1 1 43 43 GLU H H 43 7.834 7.834 8.949 -1.115 19750 6663 1 18 . 1 1 44 44 TRP N N 44 120.890 120.890 116.706 4.184 19750 6664 1 18 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.538 -0.046 19750 6665 1 18 . 1 1 44 44 TRP C C 44 177.480 177.480 177.518 -0.038 19750 6666 1 18 . 1 1 44 44 TRP CA C 44 58.960 58.960 57.929 1.031 19750 6667 1 18 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.453 -0.033 19750 6668 1 18 . 1 1 44 44 TRP H H 44 7.824 7.824 8.322 -0.498 19750 6669 1 18 . 1 1 45 45 ASP N N 45 118.210 118.210 119.002 -0.792 19750 6670 1 18 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.663 -0.311 19750 6671 1 18 . 1 1 45 45 ASP C C 45 177.070 177.070 176.973 0.097 19750 6672 1 18 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.345 -0.395 19750 6673 1 18 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.656 -2.396 19750 6674 1 18 . 1 1 45 45 ASP H H 45 8.325 8.325 8.799 -0.474 19750 6675 1 18 . 1 1 46 46 ARG N N 46 119.510 119.510 119.657 -0.147 19750 6676 1 18 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.361 -0.260 19750 6677 1 18 . 1 1 46 46 ARG C C 46 178.410 178.410 177.951 0.459 19750 6678 1 18 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.190 0.250 19750 6679 1 18 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.286 -2.096 19750 6680 1 18 . 1 1 46 46 ARG H H 46 7.860 7.860 7.648 0.212 19750 6681 1 18 . 1 1 47 47 GLU N N 47 118.470 118.470 120.834 -2.364 19750 6682 1 18 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.171 0.116 19750 6683 1 18 . 1 1 47 47 GLU C C 47 178.170 178.170 178.616 -0.446 19750 6684 1 18 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.104 -1.294 19750 6685 1 18 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.485 -1.765 19750 6686 1 18 . 1 1 47 47 GLU H H 47 7.874 7.874 7.758 0.116 19750 6687 1 18 . 1 1 48 48 ILE N N 48 118.800 118.800 115.145 3.655 19750 6688 1 18 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.803 0.126 19750 6689 1 18 . 1 1 48 48 ILE C C 48 178.060 178.060 177.303 0.757 19750 6690 1 18 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.980 0.050 19750 6691 1 18 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.428 -0.438 19750 6692 1 18 . 1 1 48 48 ILE H H 48 8.199 8.199 7.594 0.605 19750 6693 1 18 . 1 1 49 49 ASN N N 49 119.580 119.580 118.964 0.616 19750 6694 1 18 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.676 -0.077 19750 6695 1 18 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 6696 1 18 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.531 0.169 19750 6697 1 18 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.180 -0.100 19750 6698 1 18 . 1 1 49 49 ASN H H 49 8.085 8.085 7.997 0.088 19750 6699 1 18 . 1 1 50 50 ASN N N 50 118.690 118.690 120.097 -1.407 19750 6700 1 18 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.425 0.109 19750 6701 1 18 . 1 1 50 50 ASN C C 50 177.120 177.120 177.337 -0.217 19750 6702 1 18 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.483 -1.423 19750 6703 1 18 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.562 -0.882 19750 6704 1 18 . 1 1 50 50 ASN H H 50 8.020 8.020 8.057 -0.037 19750 6705 1 18 . 1 1 51 51 TYR N N 51 118.430 118.430 117.966 0.464 19750 6706 1 18 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.460 0.074 19750 6707 1 18 . 1 1 51 51 TYR C C 51 177.480 177.480 176.217 1.263 19750 6708 1 18 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.075 0.354 19750 6709 1 18 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.727 -1.017 19750 6710 1 18 . 1 1 51 51 TYR H H 51 8.106 8.106 7.734 0.372 19750 6711 1 18 . 1 1 52 52 THR N N 52 114.470 114.470 115.104 -0.634 19750 6712 1 18 . 1 1 52 52 THR HA H 52 3.943 3.943 4.280 -0.337 19750 6713 1 18 . 1 1 52 52 THR C C 52 176.970 176.970 176.059 0.911 19750 6714 1 18 . 1 1 52 52 THR CA C 52 66.220 66.220 65.393 0.827 19750 6715 1 18 . 1 1 52 52 THR CB C 52 67.580 67.580 69.105 -1.525 19750 6716 1 18 . 1 1 52 52 THR H H 52 8.247 8.247 7.967 0.280 19750 6717 1 18 . 1 1 53 53 SER N N 53 118.260 118.260 118.505 -0.245 19750 6718 1 18 . 1 1 53 53 SER HA H 53 4.338 4.338 4.470 -0.132 19750 6719 1 18 . 1 1 53 53 SER C C 53 176.990 176.990 175.881 1.109 19750 6720 1 18 . 1 1 53 53 SER CA C 53 61.300 61.300 61.024 0.276 19750 6721 1 18 . 1 1 53 53 SER CB C 53 62.020 62.020 63.062 -1.042 19750 6722 1 18 . 1 1 53 53 SER H H 53 8.064 8.064 7.758 0.306 19750 6723 1 18 . 1 1 54 54 LEU N N 54 123.950 123.950 122.762 1.188 19750 6724 1 18 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.076 0.174 19750 6725 1 18 . 1 1 54 54 LEU C C 54 179.060 179.060 177.519 1.541 19750 6726 1 18 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.828 -0.138 19750 6727 1 18 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.127 -1.137 19750 6728 1 18 . 1 1 54 54 LEU H H 54 7.631 7.631 7.396 0.235 19750 6729 1 18 . 1 1 55 55 ILE N N 55 118.770 118.770 116.170 2.600 19750 6730 1 18 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.861 -0.142 19750 6731 1 18 . 1 1 55 55 ILE C C 55 177.570 177.570 176.768 0.802 19750 6732 1 18 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.085 2.435 19750 6733 1 18 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.811 -1.351 19750 6734 1 18 . 1 1 55 55 ILE H H 55 8.051 8.051 7.523 0.528 19750 6735 1 18 . 1 1 56 56 HIS N N 56 117.770 117.770 120.222 -2.452 19750 6736 1 18 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.442 -0.187 19750 6737 1 18 . 1 1 56 56 HIS C C 56 176.790 176.790 177.165 -0.375 19750 6738 1 18 . 1 1 56 56 HIS CA C 56 59.090 59.090 58.910 0.180 19750 6739 1 18 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.820 -2.220 19750 6740 1 18 . 1 1 56 56 HIS H H 56 8.339 8.339 7.739 0.600 19750 6741 1 18 . 1 1 57 57 SER N N 57 115.350 115.350 115.228 0.122 19750 6742 1 18 . 1 1 57 57 SER HA H 57 4.245 4.245 4.232 0.013 19750 6743 1 18 . 1 1 57 57 SER C C 57 175.990 175.990 175.957 0.033 19750 6744 1 18 . 1 1 57 57 SER CA C 57 61.580 61.580 62.020 -0.440 19750 6745 1 18 . 1 1 57 57 SER CB C 57 62.280 62.280 63.233 -0.953 19750 6746 1 18 . 1 1 57 57 SER H H 57 8.137 8.137 7.871 0.266 19750 6747 1 18 . 1 1 58 58 LEU N N 58 122.540 122.540 122.646 -0.106 19750 6748 1 18 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.129 0.033 19750 6749 1 18 . 1 1 58 58 LEU C C 58 178.930 178.930 177.550 1.380 19750 6750 1 18 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.178 0.112 19750 6751 1 18 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.027 -0.837 19750 6752 1 18 . 1 1 58 58 LEU H H 58 7.914 7.914 7.593 0.321 19750 6753 1 18 . 1 1 59 59 ILE N N 59 118.010 118.010 117.929 0.081 19750 6754 1 18 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.681 0.108 19750 6755 1 18 . 1 1 59 59 ILE C C 59 178.120 178.120 177.690 0.430 19750 6756 1 18 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.184 -1.354 19750 6757 1 18 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.060 -0.910 19750 6758 1 18 . 1 1 59 59 ILE H H 59 7.921 7.921 7.279 0.642 19750 6759 1 18 . 1 1 60 60 GLU N N 60 119.640 119.640 119.679 -0.039 19750 6760 1 18 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.813 0.321 19750 6761 1 18 . 1 1 60 60 GLU C C 60 177.950 177.950 178.023 -0.073 19750 6762 1 18 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.355 -1.796 19750 6763 1 18 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.497 -1.787 19750 6764 1 18 . 1 1 60 60 GLU H H 60 7.925 7.925 7.796 0.129 19750 6765 1 18 . 1 1 61 61 GLU N N 61 118.990 118.990 117.157 1.833 19750 6766 1 18 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.209 0.036 19750 6767 1 18 . 1 1 61 61 GLU C C 61 177.450 177.450 178.209 -0.759 19750 6768 1 18 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.333 -1.233 19750 6769 1 18 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.821 -2.201 19750 6770 1 18 . 1 1 61 61 GLU H H 61 8.048 8.048 7.642 0.406 19750 6771 1 18 . 1 1 62 62 SER N N 62 115.260 115.260 115.052 0.208 19750 6772 1 18 . 1 1 62 62 SER HA H 62 4.324 4.324 4.321 0.003 19750 6773 1 18 . 1 1 62 62 SER C C 62 174.940 174.940 174.900 0.040 19750 6774 1 18 . 1 1 62 62 SER CA C 62 59.620 59.620 60.779 -1.159 19750 6775 1 18 . 1 1 62 62 SER CB C 62 63.130 63.130 63.661 -0.531 19750 6776 1 18 . 1 1 62 62 SER H H 62 7.893 7.893 7.683 0.210 19750 6777 1 18 . 1 1 63 63 GLN N N 63 120.400 120.400 120.966 -0.566 19750 6778 1 18 . 1 1 63 63 GLN C C 63 176.070 176.070 174.908 1.162 19750 6779 1 18 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.185 0.605 19750 6780 1 18 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.771 0.929 19750 6781 1 18 . 1 1 63 63 GLN H H 63 7.824 7.824 7.987 -0.163 19750 6782 1 18 . 1 1 64 64 ASN N N 64 119.180 119.180 122.943 -3.763 19750 6783 1 18 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.846 -0.151 19750 6784 1 18 . 1 1 64 64 ASN C C 64 175.300 175.300 175.044 0.256 19750 6785 1 18 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.777 0.503 19750 6786 1 18 . 1 1 64 64 ASN CB C 64 38.340 38.340 40.041 -1.701 19750 6787 1 18 . 1 1 64 64 ASN H H 64 8.059 8.059 8.130 -0.071 19750 6788 1 18 . 1 1 65 65 GLN N N 65 120.740 120.740 121.989 -1.249 19750 6789 1 18 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.643 -0.323 19750 6790 1 18 . 1 1 65 65 GLN C C 65 175.890 175.890 174.757 1.133 19750 6791 1 18 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.360 0.340 19750 6792 1 18 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.611 -2.081 19750 6793 1 18 . 1 1 65 65 GLN H H 65 8.144 8.144 8.538 -0.394 19750 6794 1 18 . 1 1 66 66 GLN N N 66 121.070 121.070 121.325 -0.255 19750 6795 1 18 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.368 -0.048 19750 6796 1 18 . 1 1 66 66 GLN C C 66 175.840 175.840 175.136 0.704 19750 6797 1 18 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.196 -0.586 19750 6798 1 18 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.222 -1.552 19750 6799 1 18 . 1 1 66 66 GLN H H 66 8.199 8.199 8.705 -0.506 19750 6800 1 18 . 1 1 67 67 GLU N N 67 122.320 122.320 121.404 0.916 19750 6801 1 18 . 1 1 67 67 GLU C C 67 175.200 175.200 175.378 -0.178 19750 6802 1 18 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.472 -0.822 19750 6803 1 18 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.194 -1.784 19750 6804 1 18 . 1 1 67 67 GLU H H 67 8.194 8.194 8.499 -0.305 19750 6805 1 19 . 1 1 2 2 GLY N N 2 110.890 110.890 111.907 -1.017 19750 6806 1 19 . 1 1 2 2 GLY C C 2 174.890 174.890 174.359 0.531 19750 6807 1 19 . 1 1 2 2 GLY CA C 2 45.550 45.550 44.978 0.571 19750 6808 1 19 . 1 1 2 2 GLY H H 2 8.294 8.294 7.903 0.391 19750 6809 1 19 . 1 1 3 3 ILE N N 3 120.800 120.800 120.980 -0.180 19750 6810 1 19 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.856 0.176 19750 6811 1 19 . 1 1 3 3 ILE C C 3 176.740 176.740 177.473 -0.733 19750 6812 1 19 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.843 -0.603 19750 6813 1 19 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.520 -1.060 19750 6814 1 19 . 1 1 3 3 ILE H H 3 7.861 7.861 8.234 -0.373 19750 6815 1 19 . 1 1 4 4 VAL N N 4 121.090 121.090 119.712 1.378 19750 6816 1 19 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.842 0.041 19750 6817 1 19 . 1 1 4 4 VAL C C 4 176.990 176.990 177.629 -0.639 19750 6818 1 19 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.413 -1.793 19750 6819 1 19 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.747 -0.577 19750 6820 1 19 . 1 1 4 4 VAL H H 4 7.857 7.857 7.775 0.082 19750 6821 1 19 . 1 1 5 5 GLN N N 5 121.380 121.380 119.890 1.490 19750 6822 1 19 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.909 0.326 19750 6823 1 19 . 1 1 5 5 GLN C C 5 176.960 176.960 178.112 -1.152 19750 6824 1 19 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.523 -2.773 19750 6825 1 19 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.095 0.155 19750 6826 1 19 . 1 1 5 5 GLN H H 5 8.051 8.051 8.694 -0.643 19750 6827 1 19 . 1 1 6 6 GLN N N 6 119.480 119.480 117.738 1.742 19750 6828 1 19 . 1 1 6 6 GLN HA H 6 4.368 4.368 4.003 0.365 19750 6829 1 19 . 1 1 6 6 GLN C C 6 176.720 176.720 178.639 -1.919 19750 6830 1 19 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.819 -2.699 19750 6831 1 19 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.469 -0.249 19750 6832 1 19 . 1 1 6 6 GLN H H 6 8.018 8.018 7.687 0.331 19750 6833 1 19 . 1 1 7 7 GLN N N 7 120.360 120.360 118.935 1.425 19750 6834 1 19 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.029 0.160 19750 6835 1 19 . 1 1 7 7 GLN C C 7 176.180 176.180 178.691 -2.511 19750 6836 1 19 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.748 -1.898 19750 6837 1 19 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.402 -0.322 19750 6838 1 19 . 1 1 7 7 GLN H H 7 8.151 8.151 7.794 0.357 19750 6839 1 19 . 1 1 8 8 ASN N N 8 119.230 119.230 118.714 0.516 19750 6840 1 19 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.582 -0.130 19750 6841 1 19 . 1 1 8 8 ASN C C 8 176.300 176.300 177.550 -1.250 19750 6842 1 19 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.553 -0.753 19750 6843 1 19 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.184 0.016 19750 6844 1 19 . 1 1 8 8 ASN H H 8 8.256 8.256 8.641 -0.385 19750 6845 1 19 . 1 1 9 9 ASN N N 9 119.840 119.840 120.031 -0.191 19750 6846 1 19 . 1 1 9 9 ASN C C 9 177.150 177.150 177.590 -0.440 19750 6847 1 19 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.379 -0.439 19750 6848 1 19 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.361 -0.681 19750 6849 1 19 . 1 1 9 9 ASN H H 9 8.319 8.319 8.417 -0.098 19750 6850 1 19 . 1 1 10 10 LEU N N 10 122.900 122.900 121.902 0.998 19750 6851 1 19 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.028 0.106 19750 6852 1 19 . 1 1 10 10 LEU C C 10 178.050 178.050 178.180 -0.130 19750 6853 1 19 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.119 -0.429 19750 6854 1 19 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.021 -1.261 19750 6855 1 19 . 1 1 10 10 LEU H H 10 8.194 8.194 8.182 0.012 19750 6856 1 19 . 1 1 11 11 LEU N N 11 118.800 118.800 118.512 0.288 19750 6857 1 19 . 1 1 11 11 LEU HA H 11 4.008 4.008 3.963 0.045 19750 6858 1 19 . 1 1 11 11 LEU C C 11 178.830 178.830 179.462 -0.632 19750 6859 1 19 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.743 -0.073 19750 6860 1 19 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.972 -1.742 19750 6861 1 19 . 1 1 11 11 LEU H H 11 8.030 8.030 7.446 0.584 19750 6862 1 19 . 1 1 12 12 ARG N N 12 117.710 117.710 118.666 -0.956 19750 6863 1 19 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.034 -0.021 19750 6864 1 19 . 1 1 12 12 ARG C C 12 178.840 178.840 178.296 0.544 19750 6865 1 19 . 1 1 12 12 ARG CA C 12 58.620 58.620 59.158 -0.538 19750 6866 1 19 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.095 -1.045 19750 6867 1 19 . 1 1 12 12 ARG H H 12 7.845 7.845 7.666 0.179 19750 6868 1 19 . 1 1 13 13 ALA N N 13 121.870 121.870 121.214 0.656 19750 6869 1 19 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.117 0.077 19750 6870 1 19 . 1 1 13 13 ALA C C 13 180.040 180.040 178.878 1.162 19750 6871 1 19 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.643 -0.163 19750 6872 1 19 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.299 -0.799 19750 6873 1 19 . 1 1 13 13 ALA H H 13 7.681 7.681 8.354 -0.673 19750 6874 1 19 . 1 1 14 14 ILE N N 14 118.010 118.010 117.866 0.144 19750 6875 1 19 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.736 -0.003 19750 6876 1 19 . 1 1 14 14 ILE C C 14 177.760 177.760 178.115 -0.355 19750 6877 1 19 . 1 1 14 14 ILE CA C 14 64.340 64.340 64.999 -0.659 19750 6878 1 19 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.478 -1.278 19750 6879 1 19 . 1 1 14 14 ILE H H 14 7.975 7.975 7.274 0.701 19750 6880 1 19 . 1 1 15 15 GLU N N 15 117.430 117.430 118.345 -0.915 19750 6881 1 19 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.458 -0.506 19750 6882 1 19 . 1 1 15 15 GLU C C 15 177.030 177.030 178.647 -1.617 19750 6883 1 19 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.784 -0.864 19750 6884 1 19 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.881 -2.461 19750 6885 1 19 . 1 1 15 15 GLU H H 15 8.110 8.110 8.114 -0.004 19750 6886 1 19 . 1 1 16 16 ALA N N 16 119.580 119.580 121.319 -1.739 19750 6887 1 19 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.266 0.077 19750 6888 1 19 . 1 1 16 16 ALA C C 16 178.570 178.570 176.872 1.698 19750 6889 1 19 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.874 -0.224 19750 6890 1 19 . 1 1 16 16 ALA CB C 16 18.080 18.080 16.953 1.127 19750 6891 1 19 . 1 1 16 16 ALA H H 16 7.457 7.457 8.146 -0.689 19750 6892 1 19 . 1 1 17 17 GLN N N 17 118.840 118.840 113.971 4.869 19750 6893 1 19 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.471 -0.040 19750 6894 1 19 . 1 1 17 17 GLN C C 17 176.160 176.160 176.334 -0.174 19750 6895 1 19 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.545 -0.915 19750 6896 1 19 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.301 -2.921 19750 6897 1 19 . 1 1 17 17 GLN H H 17 7.642 7.642 8.163 -0.521 19750 6898 1 19 . 1 1 18 18 GLN N N 18 120.730 120.730 120.975 -0.245 19750 6899 1 19 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.948 0.069 19750 6900 1 19 . 1 1 18 18 GLN C C 18 177.480 177.480 177.437 0.043 19750 6901 1 19 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.477 -1.187 19750 6902 1 19 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.719 -0.599 19750 6903 1 19 . 1 1 18 18 GLN H H 18 7.975 7.975 7.625 0.350 19750 6904 1 19 . 1 1 19 19 HIS N N 19 117.470 117.470 118.726 -1.256 19750 6905 1 19 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.387 0.287 19750 6906 1 19 . 1 1 19 19 HIS C C 19 176.330 176.330 177.461 -1.131 19750 6907 1 19 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.565 -2.605 19750 6908 1 19 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.483 -2.063 19750 6909 1 19 . 1 1 19 19 HIS H H 19 8.697 8.697 8.445 0.252 19750 6910 1 19 . 1 1 20 20 LEU N N 20 120.410 120.410 121.569 -1.159 19750 6911 1 19 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.118 -0.068 19750 6912 1 19 . 1 1 20 20 LEU C C 20 179.680 179.680 178.097 1.583 19750 6913 1 19 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.488 0.252 19750 6914 1 19 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.148 -0.318 19750 6915 1 19 . 1 1 20 20 LEU H H 20 8.026 8.026 8.348 -0.322 19750 6916 1 19 . 1 1 21 21 LEU N N 21 121.930 121.930 118.967 2.963 19750 6917 1 19 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.949 0.110 19750 6918 1 19 . 1 1 21 21 LEU C C 21 178.540 178.540 179.417 -0.877 19750 6919 1 19 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.608 -0.478 19750 6920 1 19 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.738 -0.608 19750 6921 1 19 . 1 1 21 21 LEU H H 21 8.433 8.433 7.583 0.850 19750 6922 1 19 . 1 1 22 22 GLN N N 22 118.540 118.540 118.034 0.506 19750 6923 1 19 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.165 -0.152 19750 6924 1 19 . 1 1 22 22 GLN C C 22 179.430 179.430 178.622 0.808 19750 6925 1 19 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.749 0.151 19750 6926 1 19 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.477 -1.007 19750 6927 1 19 . 1 1 22 22 GLN H H 22 8.087 8.087 7.585 0.502 19750 6928 1 19 . 1 1 23 23 LEU N N 23 120.750 120.750 120.690 0.060 19750 6929 1 19 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.999 0.232 19750 6930 1 19 . 1 1 23 23 LEU C C 23 178.420 178.420 178.980 -0.560 19750 6931 1 19 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.188 -0.558 19750 6932 1 19 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.084 -0.794 19750 6933 1 19 . 1 1 23 23 LEU H H 23 8.013 8.013 8.767 -0.754 19750 6934 1 19 . 1 1 24 24 THR N N 24 116.790 116.790 115.576 1.214 19750 6935 1 19 . 1 1 24 24 THR C C 24 176.180 176.180 176.687 -0.507 19750 6936 1 19 . 1 1 24 24 THR H H 24 8.024 8.024 8.207 -0.183 19750 6937 1 19 . 1 1 25 25 VAL N N 25 121.130 121.130 121.521 -0.391 19750 6938 1 19 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.899 -0.324 19750 6939 1 19 . 1 1 25 25 VAL C C 25 177.600 177.600 177.896 -0.296 19750 6940 1 19 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.255 0.565 19750 6941 1 19 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.579 -0.750 19750 6942 1 19 . 1 1 25 25 VAL H H 25 8.068 8.068 7.407 0.661 19750 6943 1 19 . 1 1 26 26 TRP N N 26 120.520 120.520 120.408 0.112 19750 6944 1 19 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.711 -0.531 19750 6945 1 19 . 1 1 26 26 TRP C C 26 178.700 178.700 178.584 0.116 19750 6946 1 19 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.688 0.742 19750 6947 1 19 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.024 -1.284 19750 6948 1 19 . 1 1 26 26 TRP H H 26 7.983 7.983 9.081 -1.098 19750 6949 1 19 . 1 1 27 27 GLY N N 27 107.880 107.880 108.143 -0.263 19750 6950 1 19 . 1 1 27 27 GLY C C 27 174.990 174.990 175.942 -0.952 19750 6951 1 19 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.182 0.058 19750 6952 1 19 . 1 1 27 27 GLY H H 27 8.846 8.846 8.827 0.019 19750 6953 1 19 . 1 1 28 28 ILE N N 28 122.330 122.330 117.379 4.951 19750 6954 1 19 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.953 -0.341 19750 6955 1 19 . 1 1 28 28 ILE C C 28 178.030 178.030 177.249 0.781 19750 6956 1 19 . 1 1 28 28 ILE CA C 28 64.860 64.860 63.938 0.922 19750 6957 1 19 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.541 -1.031 19750 6958 1 19 . 1 1 28 28 ILE H H 28 8.427 8.427 7.548 0.879 19750 6959 1 19 . 1 1 29 29 LYS N N 29 119.850 119.850 121.417 -1.567 19750 6960 1 19 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.958 0.064 19750 6961 1 19 . 1 1 29 29 LYS C C 29 180.050 180.050 178.753 1.297 19750 6962 1 19 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.217 0.053 19750 6963 1 19 . 1 1 29 29 LYS CB C 29 30.680 30.680 32.000 -1.320 19750 6964 1 19 . 1 1 29 29 LYS H H 29 7.993 7.993 7.454 0.539 19750 6965 1 19 . 1 1 30 30 GLN N N 30 118.870 118.870 118.196 0.674 19750 6966 1 19 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.068 -0.228 19750 6967 1 19 . 1 1 30 30 GLN C C 30 178.750 178.750 178.606 0.144 19750 6968 1 19 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.420 -1.260 19750 6969 1 19 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.482 -1.622 19750 6970 1 19 . 1 1 30 30 GLN H H 30 7.800 7.800 7.878 -0.078 19750 6971 1 19 . 1 1 31 31 LEU N N 31 120.220 120.220 120.524 -0.304 19750 6972 1 19 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.190 -0.224 19750 6973 1 19 . 1 1 31 31 LEU C C 31 179.300 179.300 178.759 0.541 19750 6974 1 19 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.871 -0.661 19750 6975 1 19 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.766 -1.106 19750 6976 1 19 . 1 1 31 31 LEU H H 31 7.873 7.873 7.582 0.291 19750 6977 1 19 . 1 1 32 32 GLN N N 32 118.830 118.830 119.721 -0.891 19750 6978 1 19 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.900 0.043 19750 6979 1 19 . 1 1 32 32 GLN C C 32 177.910 177.910 178.300 -0.390 19750 6980 1 19 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.891 -0.671 19750 6981 1 19 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.500 -0.480 19750 6982 1 19 . 1 1 32 32 GLN H H 32 8.216 8.216 7.949 0.267 19750 6983 1 19 . 1 1 33 33 ALA N N 33 121.340 121.340 119.343 1.997 19750 6984 1 19 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.159 0.026 19750 6985 1 19 . 1 1 33 33 ALA C C 33 179.050 179.050 177.753 1.297 19750 6986 1 19 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.149 0.311 19750 6987 1 19 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.404 -0.684 19750 6988 1 19 . 1 1 33 33 ALA H H 33 7.647 7.647 7.544 0.103 19750 6989 1 19 . 1 1 34 34 ARG N N 34 117.580 117.580 118.026 -0.446 19750 6990 1 19 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.127 0.179 19750 6991 1 19 . 1 1 34 34 ARG C C 34 176.800 176.800 176.608 0.192 19750 6992 1 19 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.127 -0.897 19750 6993 1 19 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.450 -0.799 19750 6994 1 19 . 1 1 34 34 ARG H H 34 7.612 7.612 8.064 -0.452 19750 6995 1 19 . 1 1 35 35 SER N N 35 114.960 114.960 113.383 1.577 19750 6996 1 19 . 1 1 35 35 SER HA H 35 4.343 4.343 4.530 -0.187 19750 6997 1 19 . 1 1 35 35 SER C C 35 175.290 175.290 175.747 -0.457 19750 6998 1 19 . 1 1 35 35 SER CA C 35 58.930 58.930 57.705 1.225 19750 6999 1 19 . 1 1 35 35 SER CB C 35 63.370 63.370 64.767 -1.397 19750 7000 1 19 . 1 1 35 35 SER H H 35 7.827 7.827 7.508 0.319 19750 7001 1 19 . 1 1 36 36 GLY N N 36 110.340 110.340 110.041 0.299 19750 7002 1 19 . 1 1 36 36 GLY C C 36 174.840 174.840 174.132 0.708 19750 7003 1 19 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.165 1.175 19750 7004 1 19 . 1 1 36 36 GLY H H 36 8.132 8.132 8.656 -0.524 19750 7005 1 19 . 1 1 37 37 GLY N N 37 108.880 108.880 106.852 2.028 19750 7006 1 19 . 1 1 37 37 GLY C C 37 174.400 174.400 174.640 -0.240 19750 7007 1 19 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.510 0.460 19750 7008 1 19 . 1 1 37 37 GLY H H 37 8.190 8.190 7.386 0.804 19750 7009 1 19 . 1 1 38 38 ARG N N 38 120.630 120.630 121.647 -1.017 19750 7010 1 19 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.511 -0.196 19750 7011 1 19 . 1 1 38 38 ARG C C 38 176.900 176.900 175.980 0.920 19750 7012 1 19 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.678 0.372 19750 7013 1 19 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.669 0.081 19750 7014 1 19 . 1 1 38 38 ARG H H 38 8.118 8.118 8.405 -0.287 19750 7015 1 19 . 1 1 39 39 GLY N N 39 109.360 109.360 108.618 0.742 19750 7016 1 19 . 1 1 39 39 GLY C C 39 174.690 174.690 173.974 0.716 19750 7017 1 19 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.525 0.595 19750 7018 1 19 . 1 1 39 39 GLY H H 39 8.374 8.374 8.187 0.187 19750 7019 1 19 . 1 1 40 40 GLY N N 40 109.060 109.060 107.560 1.500 19750 7020 1 19 . 1 1 40 40 GLY C C 40 174.680 174.680 174.063 0.617 19750 7021 1 19 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.992 0.088 19750 7022 1 19 . 1 1 40 40 GLY H H 40 7.995 7.995 8.366 -0.371 19750 7023 1 19 . 1 1 41 41 TRP N N 41 121.260 121.260 127.056 -5.796 19750 7024 1 19 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.791 -0.392 19750 7025 1 19 . 1 1 41 41 TRP C C 41 177.300 177.300 176.266 1.034 19750 7026 1 19 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.219 1.361 19750 7027 1 19 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.771 -2.081 19750 7028 1 19 . 1 1 41 41 TRP H H 41 8.176 8.176 8.927 -0.751 19750 7029 1 19 . 1 1 42 42 MET N N 42 118.570 118.570 120.284 -1.714 19750 7030 1 19 . 1 1 42 42 MET HA H 42 4.185 4.185 4.104 0.081 19750 7031 1 19 . 1 1 42 42 MET C C 42 177.930 177.930 178.231 -0.301 19750 7032 1 19 . 1 1 42 42 MET CA C 42 57.460 57.460 58.884 -1.424 19750 7033 1 19 . 1 1 42 42 MET CB C 42 30.920 30.920 32.247 -1.327 19750 7034 1 19 . 1 1 42 42 MET H H 42 8.120 8.120 8.339 -0.219 19750 7035 1 19 . 1 1 43 43 GLU N N 43 119.600 119.600 119.010 0.590 19750 7036 1 19 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.954 0.245 19750 7037 1 19 . 1 1 43 43 GLU C C 43 177.980 177.980 178.787 -0.807 19750 7038 1 19 . 1 1 43 43 GLU CA C 43 57.520 57.520 59.974 -2.454 19750 7039 1 19 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.952 -1.392 19750 7040 1 19 . 1 1 43 43 GLU H H 43 7.834 7.834 8.766 -0.932 19750 7041 1 19 . 1 1 44 44 TRP N N 44 120.890 120.890 117.410 3.480 19750 7042 1 19 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.395 0.097 19750 7043 1 19 . 1 1 44 44 TRP C C 44 177.480 177.480 177.859 -0.379 19750 7044 1 19 . 1 1 44 44 TRP CA C 44 58.960 58.960 59.028 -0.068 19750 7045 1 19 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.599 -0.179 19750 7046 1 19 . 1 1 44 44 TRP H H 44 7.824 7.824 8.523 -0.699 19750 7047 1 19 . 1 1 45 45 ASP N N 45 118.210 118.210 117.744 0.466 19750 7048 1 19 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.629 -0.277 19750 7049 1 19 . 1 1 45 45 ASP C C 45 177.070 177.070 177.015 0.055 19750 7050 1 19 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.157 -0.207 19750 7051 1 19 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.797 -2.537 19750 7052 1 19 . 1 1 45 45 ASP H H 45 8.325 8.325 7.809 0.516 19750 7053 1 19 . 1 1 46 46 ARG N N 46 119.510 119.510 119.691 -0.181 19750 7054 1 19 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.370 -0.269 19750 7055 1 19 . 1 1 46 46 ARG C C 46 178.410 178.410 178.025 0.385 19750 7056 1 19 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.304 0.136 19750 7057 1 19 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.257 -2.067 19750 7058 1 19 . 1 1 46 46 ARG H H 46 7.860 7.860 8.213 -0.353 19750 7059 1 19 . 1 1 47 47 GLU N N 47 118.470 118.470 120.911 -2.441 19750 7060 1 19 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.170 0.117 19750 7061 1 19 . 1 1 47 47 GLU C C 47 178.170 178.170 178.633 -0.463 19750 7062 1 19 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.136 -1.326 19750 7063 1 19 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.494 -1.774 19750 7064 1 19 . 1 1 47 47 GLU H H 47 7.874 7.874 7.570 0.304 19750 7065 1 19 . 1 1 48 48 ILE N N 48 118.800 118.800 115.142 3.658 19750 7066 1 19 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.804 0.125 19750 7067 1 19 . 1 1 48 48 ILE C C 48 178.060 178.060 177.310 0.750 19750 7068 1 19 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.998 0.032 19750 7069 1 19 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.432 -0.442 19750 7070 1 19 . 1 1 48 48 ILE H H 48 8.199 8.199 7.597 0.602 19750 7071 1 19 . 1 1 49 49 ASN N N 49 119.580 119.580 118.967 0.613 19750 7072 1 19 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.680 -0.081 19750 7073 1 19 . 1 1 49 49 ASN C C 49 177.110 177.110 177.068 0.042 19750 7074 1 19 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.533 0.167 19750 7075 1 19 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.184 -0.104 19750 7076 1 19 . 1 1 49 49 ASN H H 49 8.085 8.085 8.000 0.085 19750 7077 1 19 . 1 1 50 50 ASN N N 50 118.690 118.690 120.101 -1.411 19750 7078 1 19 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.426 0.108 19750 7079 1 19 . 1 1 50 50 ASN C C 50 177.120 177.120 177.340 -0.220 19750 7080 1 19 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.484 -1.424 19750 7081 1 19 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.561 -0.881 19750 7082 1 19 . 1 1 50 50 ASN H H 50 8.020 8.020 8.059 -0.039 19750 7083 1 19 . 1 1 51 51 TYR N N 51 118.430 118.430 117.970 0.460 19750 7084 1 19 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.460 0.074 19750 7085 1 19 . 1 1 51 51 TYR C C 51 177.480 177.480 176.220 1.260 19750 7086 1 19 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.079 0.351 19750 7087 1 19 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.724 -1.014 19750 7088 1 19 . 1 1 51 51 TYR H H 51 8.106 8.106 7.734 0.372 19750 7089 1 19 . 1 1 52 52 THR N N 52 114.470 114.470 115.107 -0.637 19750 7090 1 19 . 1 1 52 52 THR HA H 52 3.943 3.943 4.285 -0.342 19750 7091 1 19 . 1 1 52 52 THR C C 52 176.970 176.970 176.069 0.901 19750 7092 1 19 . 1 1 52 52 THR CA C 52 66.220 66.220 65.398 0.822 19750 7093 1 19 . 1 1 52 52 THR CB C 52 67.580 67.580 69.107 -1.527 19750 7094 1 19 . 1 1 52 52 THR H H 52 8.247 8.247 7.968 0.279 19750 7095 1 19 . 1 1 53 53 SER N N 53 118.260 118.260 118.502 -0.242 19750 7096 1 19 . 1 1 53 53 SER HA H 53 4.338 4.338 4.469 -0.131 19750 7097 1 19 . 1 1 53 53 SER C C 53 176.990 176.990 175.880 1.110 19750 7098 1 19 . 1 1 53 53 SER CA C 53 61.300 61.300 61.010 0.290 19750 7099 1 19 . 1 1 53 53 SER CB C 53 62.020 62.020 63.069 -1.049 19750 7100 1 19 . 1 1 53 53 SER H H 53 8.064 8.064 7.757 0.307 19750 7101 1 19 . 1 1 54 54 LEU N N 54 123.950 123.950 122.776 1.174 19750 7102 1 19 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.087 0.163 19750 7103 1 19 . 1 1 54 54 LEU C C 54 179.060 179.060 177.652 1.408 19750 7104 1 19 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.614 0.076 19750 7105 1 19 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.166 -1.176 19750 7106 1 19 . 1 1 54 54 LEU H H 54 7.631 7.631 7.339 0.292 19750 7107 1 19 . 1 1 55 55 ILE N N 55 118.770 118.770 116.036 2.734 19750 7108 1 19 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.901 -0.182 19750 7109 1 19 . 1 1 55 55 ILE C C 55 177.570 177.570 176.839 0.731 19750 7110 1 19 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.008 2.511 19750 7111 1 19 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.965 -1.504 19750 7112 1 19 . 1 1 55 55 ILE H H 55 8.051 8.051 7.511 0.540 19750 7113 1 19 . 1 1 56 56 HIS N N 56 117.770 117.770 120.438 -2.668 19750 7114 1 19 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.425 -0.170 19750 7115 1 19 . 1 1 56 56 HIS C C 56 176.790 176.790 177.138 -0.348 19750 7116 1 19 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.071 0.019 19750 7117 1 19 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.752 -2.151 19750 7118 1 19 . 1 1 56 56 HIS H H 56 8.339 8.339 7.759 0.580 19750 7119 1 19 . 1 1 57 57 SER N N 57 115.350 115.350 115.080 0.270 19750 7120 1 19 . 1 1 57 57 SER HA H 57 4.245 4.245 4.256 -0.011 19750 7121 1 19 . 1 1 57 57 SER C C 57 175.990 175.990 175.972 0.018 19750 7122 1 19 . 1 1 57 57 SER CA C 57 61.580 61.580 61.356 0.224 19750 7123 1 19 . 1 1 57 57 SER CB C 57 62.280 62.280 62.992 -0.712 19750 7124 1 19 . 1 1 57 57 SER H H 57 8.137 8.137 7.812 0.325 19750 7125 1 19 . 1 1 58 58 LEU N N 58 122.540 122.540 123.280 -0.740 19750 7126 1 19 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.168 -0.006 19750 7127 1 19 . 1 1 58 58 LEU C C 58 178.930 178.930 178.423 0.507 19750 7128 1 19 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.322 -0.032 19750 7129 1 19 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.202 -1.012 19750 7130 1 19 . 1 1 58 58 LEU H H 58 7.914 7.914 7.584 0.330 19750 7131 1 19 . 1 1 59 59 ILE N N 59 118.010 118.010 119.280 -1.270 19750 7132 1 19 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.706 0.083 19750 7133 1 19 . 1 1 59 59 ILE C C 59 178.120 178.120 177.363 0.757 19750 7134 1 19 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.373 -1.543 19750 7135 1 19 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.086 -0.936 19750 7136 1 19 . 1 1 59 59 ILE H H 59 7.921 7.921 7.405 0.516 19750 7137 1 19 . 1 1 60 60 GLU N N 60 119.640 119.640 118.972 0.668 19750 7138 1 19 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.833 0.301 19750 7139 1 19 . 1 1 60 60 GLU C C 60 177.950 177.950 177.702 0.248 19750 7140 1 19 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.218 -1.658 19750 7141 1 19 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.457 -1.747 19750 7142 1 19 . 1 1 60 60 GLU H H 60 7.925 7.925 7.728 0.197 19750 7143 1 19 . 1 1 61 61 GLU N N 61 118.990 118.990 116.857 2.133 19750 7144 1 19 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.244 0.001 19750 7145 1 19 . 1 1 61 61 GLU C C 61 177.450 177.450 178.107 -0.657 19750 7146 1 19 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.105 -1.005 19750 7147 1 19 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.879 -2.259 19750 7148 1 19 . 1 1 61 61 GLU H H 61 8.048 8.048 7.516 0.532 19750 7149 1 19 . 1 1 62 62 SER N N 62 115.260 115.260 114.976 0.284 19750 7150 1 19 . 1 1 62 62 SER HA H 62 4.324 4.324 4.318 0.006 19750 7151 1 19 . 1 1 62 62 SER C C 62 174.940 174.940 174.874 0.066 19750 7152 1 19 . 1 1 62 62 SER CA C 62 59.620 59.620 60.491 -0.871 19750 7153 1 19 . 1 1 62 62 SER CB C 62 63.130 63.130 63.611 -0.481 19750 7154 1 19 . 1 1 62 62 SER H H 62 7.893 7.893 7.689 0.204 19750 7155 1 19 . 1 1 63 63 GLN N N 63 120.400 120.400 120.454 -0.054 19750 7156 1 19 . 1 1 63 63 GLN C C 63 176.070 176.070 174.930 1.140 19750 7157 1 19 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.372 0.418 19750 7158 1 19 . 1 1 63 63 GLN CB C 63 28.700 28.700 28.374 0.326 19750 7159 1 19 . 1 1 63 63 GLN H H 63 7.824 7.824 7.818 0.006 19750 7160 1 19 . 1 1 64 64 ASN N N 64 119.180 119.180 123.390 -4.210 19750 7161 1 19 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.791 -0.096 19750 7162 1 19 . 1 1 64 64 ASN C C 64 175.300 175.300 174.968 0.332 19750 7163 1 19 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.868 0.411 19750 7164 1 19 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.838 -1.498 19750 7165 1 19 . 1 1 64 64 ASN H H 64 8.059 8.059 8.321 -0.262 19750 7166 1 19 . 1 1 65 65 GLN N N 65 120.740 120.740 122.166 -1.426 19750 7167 1 19 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.627 -0.307 19750 7168 1 19 . 1 1 65 65 GLN C C 65 175.890 175.890 174.773 1.117 19750 7169 1 19 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.392 0.308 19750 7170 1 19 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.436 -1.906 19750 7171 1 19 . 1 1 65 65 GLN H H 65 8.144 8.144 8.531 -0.387 19750 7172 1 19 . 1 1 66 66 GLN N N 66 121.070 121.070 122.671 -1.601 19750 7173 1 19 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.354 -0.034 19750 7174 1 19 . 1 1 66 66 GLN C C 66 175.840 175.840 174.844 0.996 19750 7175 1 19 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.246 -0.636 19750 7176 1 19 . 1 1 66 66 GLN CB C 66 28.670 28.670 29.933 -1.263 19750 7177 1 19 . 1 1 66 66 GLN H H 66 8.199 8.199 8.672 -0.473 19750 7178 1 19 . 1 1 67 67 GLU N N 67 122.320 122.320 120.979 1.341 19750 7179 1 19 . 1 1 67 67 GLU C C 67 175.200 175.200 175.527 -0.327 19750 7180 1 19 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.584 -0.934 19750 7181 1 19 . 1 1 67 67 GLU CB C 67 28.410 28.410 29.854 -1.444 19750 7182 1 19 . 1 1 67 67 GLU H H 67 8.194 8.194 8.516 -0.322 19750 7183 1 20 . 1 1 2 2 GLY N N 2 110.890 110.890 111.698 -0.808 19750 7184 1 20 . 1 1 2 2 GLY C C 2 174.890 174.890 174.265 0.625 19750 7185 1 20 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.020 0.530 19750 7186 1 20 . 1 1 2 2 GLY H H 2 8.294 8.294 7.893 0.401 19750 7187 1 20 . 1 1 3 3 ILE N N 3 120.800 120.800 120.687 0.113 19750 7188 1 20 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.892 0.140 19750 7189 1 20 . 1 1 3 3 ILE C C 3 176.740 176.740 177.321 -0.581 19750 7190 1 20 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.713 -0.473 19750 7191 1 20 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.518 -1.058 19750 7192 1 20 . 1 1 3 3 ILE H H 3 7.861 7.861 8.228 -0.367 19750 7193 1 20 . 1 1 4 4 VAL N N 4 121.090 121.090 119.702 1.388 19750 7194 1 20 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.883 -0.000 19750 7195 1 20 . 1 1 4 4 VAL C C 4 176.990 176.990 177.586 -0.596 19750 7196 1 20 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.235 -1.615 19750 7197 1 20 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.816 -0.646 19750 7198 1 20 . 1 1 4 4 VAL H H 4 7.857 7.857 7.725 0.132 19750 7199 1 20 . 1 1 5 5 GLN N N 5 121.380 121.380 120.037 1.343 19750 7200 1 20 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.899 0.336 19750 7201 1 20 . 1 1 5 5 GLN C C 5 176.960 176.960 177.967 -1.007 19750 7202 1 20 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.645 -2.896 19750 7203 1 20 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.135 0.115 19750 7204 1 20 . 1 1 5 5 GLN H H 5 8.051 8.051 8.663 -0.612 19750 7205 1 20 . 1 1 6 6 GLN N N 6 119.480 119.480 118.010 1.470 19750 7206 1 20 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.922 0.446 19750 7207 1 20 . 1 1 6 6 GLN C C 6 176.720 176.720 178.637 -1.917 19750 7208 1 20 . 1 1 6 6 GLN CA C 6 56.120 56.120 59.043 -2.923 19750 7209 1 20 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.287 -0.067 19750 7210 1 20 . 1 1 6 6 GLN H H 6 8.018 8.018 7.732 0.286 19750 7211 1 20 . 1 1 7 7 GLN N N 7 120.360 120.360 118.598 1.762 19750 7212 1 20 . 1 1 7 7 GLN HA H 7 4.189 4.189 3.997 0.192 19750 7213 1 20 . 1 1 7 7 GLN C C 7 176.180 176.180 178.747 -2.567 19750 7214 1 20 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.803 -1.953 19750 7215 1 20 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.311 -0.231 19750 7216 1 20 . 1 1 7 7 GLN H H 7 8.151 8.151 7.960 0.191 19750 7217 1 20 . 1 1 8 8 ASN N N 8 119.230 119.230 119.014 0.216 19750 7218 1 20 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.494 -0.042 19750 7219 1 20 . 1 1 8 8 ASN C C 8 176.300 176.300 177.819 -1.519 19750 7220 1 20 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.667 -0.867 19750 7221 1 20 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.077 0.123 19750 7222 1 20 . 1 1 8 8 ASN H H 8 8.256 8.256 8.557 -0.301 19750 7223 1 20 . 1 1 9 9 ASN N N 9 119.840 119.840 120.063 -0.223 19750 7224 1 20 . 1 1 9 9 ASN C C 9 177.150 177.150 177.651 -0.501 19750 7225 1 20 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.714 -0.774 19750 7226 1 20 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.157 -0.477 19750 7227 1 20 . 1 1 9 9 ASN H H 9 8.319 8.319 8.782 -0.463 19750 7228 1 20 . 1 1 10 10 LEU N N 10 122.900 122.900 121.027 1.873 19750 7229 1 20 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.047 0.087 19750 7230 1 20 . 1 1 10 10 LEU C C 10 178.050 178.050 178.273 -0.223 19750 7231 1 20 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.286 -0.596 19750 7232 1 20 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.071 -1.311 19750 7233 1 20 . 1 1 10 10 LEU H H 10 8.194 8.194 8.405 -0.211 19750 7234 1 20 . 1 1 11 11 LEU N N 11 118.800 118.800 117.242 1.558 19750 7235 1 20 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.101 -0.093 19750 7236 1 20 . 1 1 11 11 LEU C C 11 178.830 178.830 178.676 0.154 19750 7237 1 20 . 1 1 11 11 LEU CA C 11 57.670 57.670 56.548 1.122 19750 7238 1 20 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.854 -1.624 19750 7239 1 20 . 1 1 11 11 LEU H H 11 8.030 8.030 7.424 0.606 19750 7240 1 20 . 1 1 12 12 ARG N N 12 117.710 117.710 118.817 -1.107 19750 7241 1 20 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.153 -0.140 19750 7242 1 20 . 1 1 12 12 ARG C C 12 178.840 178.840 178.450 0.390 19750 7243 1 20 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.675 -0.055 19750 7244 1 20 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.428 -1.378 19750 7245 1 20 . 1 1 12 12 ARG H H 12 7.845 7.845 7.574 0.272 19750 7246 1 20 . 1 1 13 13 ALA N N 13 121.870 121.870 122.903 -1.033 19750 7247 1 20 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.100 0.094 19750 7248 1 20 . 1 1 13 13 ALA C C 13 180.040 180.040 179.117 0.923 19750 7249 1 20 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.882 -0.402 19750 7250 1 20 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.372 -0.872 19750 7251 1 20 . 1 1 13 13 ALA H H 13 7.681 7.681 8.544 -0.863 19750 7252 1 20 . 1 1 14 14 ILE N N 14 118.010 118.010 118.312 -0.302 19750 7253 1 20 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.652 0.081 19750 7254 1 20 . 1 1 14 14 ILE C C 14 177.760 177.760 178.554 -0.794 19750 7255 1 20 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.381 -1.041 19750 7256 1 20 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.214 -1.014 19750 7257 1 20 . 1 1 14 14 ILE H H 14 7.975 7.975 7.635 0.340 19750 7258 1 20 . 1 1 15 15 GLU N N 15 117.430 117.430 118.286 -0.856 19750 7259 1 20 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.366 -0.414 19750 7260 1 20 . 1 1 15 15 GLU C C 15 177.030 177.030 178.020 -0.990 19750 7261 1 20 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.973 -1.053 19750 7262 1 20 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.640 -2.220 19750 7263 1 20 . 1 1 15 15 GLU H H 15 8.110 8.110 8.341 -0.231 19750 7264 1 20 . 1 1 16 16 ALA N N 16 119.580 119.580 119.383 0.197 19750 7265 1 20 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.349 -0.006 19750 7266 1 20 . 1 1 16 16 ALA C C 16 178.570 178.570 177.050 1.520 19750 7267 1 20 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.685 -0.035 19750 7268 1 20 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.358 0.722 19750 7269 1 20 . 1 1 16 16 ALA H H 16 7.457 7.457 7.676 -0.219 19750 7270 1 20 . 1 1 17 17 GLN N N 17 118.840 118.840 114.300 4.540 19750 7271 1 20 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.483 -0.052 19750 7272 1 20 . 1 1 17 17 GLN C C 17 176.160 176.160 176.404 -0.244 19750 7273 1 20 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.513 -0.883 19750 7274 1 20 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.393 -3.013 19750 7275 1 20 . 1 1 17 17 GLN H H 17 7.642 7.642 7.859 -0.217 19750 7276 1 20 . 1 1 18 18 GLN N N 18 120.730 120.730 120.849 -0.119 19750 7277 1 20 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.974 0.044 19750 7278 1 20 . 1 1 18 18 GLN C C 18 177.480 177.480 177.367 0.113 19750 7279 1 20 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.353 -1.063 19750 7280 1 20 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.710 -0.590 19750 7281 1 20 . 1 1 18 18 GLN H H 18 7.975 7.975 7.549 0.426 19750 7282 1 20 . 1 1 19 19 HIS N N 19 117.470 117.470 118.462 -0.992 19750 7283 1 20 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.397 0.277 19750 7284 1 20 . 1 1 19 19 HIS C C 19 176.330 176.330 177.457 -1.127 19750 7285 1 20 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.510 -2.550 19750 7286 1 20 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.538 -2.118 19750 7287 1 20 . 1 1 19 19 HIS H H 19 8.697 8.697 8.431 0.266 19750 7288 1 20 . 1 1 20 20 LEU N N 20 120.410 120.410 122.047 -1.637 19750 7289 1 20 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.153 -0.103 19750 7290 1 20 . 1 1 20 20 LEU C C 20 179.680 179.680 178.303 1.377 19750 7291 1 20 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.555 0.185 19750 7292 1 20 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.268 -0.438 19750 7293 1 20 . 1 1 20 20 LEU H H 20 8.026 8.026 8.345 -0.319 19750 7294 1 20 . 1 1 21 21 LEU N N 21 121.930 121.930 118.792 3.138 19750 7295 1 20 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.946 0.113 19750 7296 1 20 . 1 1 21 21 LEU C C 21 178.540 178.540 179.423 -0.883 19750 7297 1 20 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.389 -0.259 19750 7298 1 20 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.836 -0.706 19750 7299 1 20 . 1 1 21 21 LEU H H 21 8.433 8.433 7.638 0.795 19750 7300 1 20 . 1 1 22 22 GLN N N 22 118.540 118.540 118.218 0.322 19750 7301 1 20 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.196 -0.183 19750 7302 1 20 . 1 1 22 22 GLN C C 22 179.430 179.430 178.385 1.045 19750 7303 1 20 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.585 0.315 19750 7304 1 20 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.642 -1.172 19750 7305 1 20 . 1 1 22 22 GLN H H 22 8.087 8.087 7.512 0.575 19750 7306 1 20 . 1 1 23 23 LEU N N 23 120.750 120.750 121.177 -0.427 19750 7307 1 20 . 1 1 23 23 LEU HA H 23 4.231 4.231 3.886 0.345 19750 7308 1 20 . 1 1 23 23 LEU C C 23 178.420 178.420 178.837 -0.417 19750 7309 1 20 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.441 -0.811 19750 7310 1 20 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.029 -0.739 19750 7311 1 20 . 1 1 23 23 LEU H H 23 8.013 8.013 8.156 -0.143 19750 7312 1 20 . 1 1 24 24 THR N N 24 116.790 116.790 114.897 1.893 19750 7313 1 20 . 1 1 24 24 THR C C 24 176.180 176.180 176.715 -0.535 19750 7314 1 20 . 1 1 24 24 THR H H 24 8.024 8.024 8.436 -0.412 19750 7315 1 20 . 1 1 25 25 VAL N N 25 121.130 121.130 121.011 0.119 19750 7316 1 20 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.830 -0.255 19750 7317 1 20 . 1 1 25 25 VAL C C 25 177.600 177.600 178.164 -0.564 19750 7318 1 20 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.309 0.511 19750 7319 1 20 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.513 -0.683 19750 7320 1 20 . 1 1 25 25 VAL H H 25 8.068 8.068 7.446 0.622 19750 7321 1 20 . 1 1 26 26 TRP N N 26 120.520 120.520 120.363 0.157 19750 7322 1 20 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.657 -0.477 19750 7323 1 20 . 1 1 26 26 TRP C C 26 178.700 178.700 178.763 -0.063 19750 7324 1 20 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.700 0.730 19750 7325 1 20 . 1 1 26 26 TRP CB C 26 27.740 27.740 28.962 -1.222 19750 7326 1 20 . 1 1 26 26 TRP H H 26 7.983 7.983 9.003 -1.020 19750 7327 1 20 . 1 1 27 27 GLY N N 27 107.880 107.880 108.938 -1.058 19750 7328 1 20 . 1 1 27 27 GLY C C 27 174.990 174.990 175.796 -0.806 19750 7329 1 20 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.246 -0.006 19750 7330 1 20 . 1 1 27 27 GLY H H 27 8.846 8.846 8.911 -0.065 19750 7331 1 20 . 1 1 28 28 ILE N N 28 122.330 122.330 118.318 4.012 19750 7332 1 20 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.830 -0.218 19750 7333 1 20 . 1 1 28 28 ILE C C 28 178.030 178.030 177.337 0.693 19750 7334 1 20 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.404 0.456 19750 7335 1 20 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.440 -0.930 19750 7336 1 20 . 1 1 28 28 ILE H H 28 8.427 8.427 7.936 0.491 19750 7337 1 20 . 1 1 29 29 LYS N N 29 119.850 119.850 120.702 -0.852 19750 7338 1 20 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.930 0.092 19750 7339 1 20 . 1 1 29 29 LYS C C 29 180.050 180.050 178.968 1.082 19750 7340 1 20 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.233 0.037 19750 7341 1 20 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.980 -1.300 19750 7342 1 20 . 1 1 29 29 LYS H H 29 7.993 7.993 7.455 0.538 19750 7343 1 20 . 1 1 30 30 GLN N N 30 118.870 118.870 118.621 0.249 19750 7344 1 20 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.092 -0.252 19750 7345 1 20 . 1 1 30 30 GLN C C 30 178.750 178.750 178.695 0.055 19750 7346 1 20 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.271 -1.111 19750 7347 1 20 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.594 -1.734 19750 7348 1 20 . 1 1 30 30 GLN H H 30 7.800 7.800 7.686 0.114 19750 7349 1 20 . 1 1 31 31 LEU N N 31 120.220 120.220 121.259 -1.039 19750 7350 1 20 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.011 -0.045 19750 7351 1 20 . 1 1 31 31 LEU C C 31 179.300 179.300 178.718 0.582 19750 7352 1 20 . 1 1 31 31 LEU CA C 31 57.210 57.210 58.037 -0.827 19750 7353 1 20 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.636 -0.976 19750 7354 1 20 . 1 1 31 31 LEU H H 31 7.873 7.873 8.292 -0.419 19750 7355 1 20 . 1 1 32 32 GLN N N 32 118.830 118.830 119.109 -0.279 19750 7356 1 20 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.855 0.088 19750 7357 1 20 . 1 1 32 32 GLN C C 32 177.910 177.910 178.192 -0.282 19750 7358 1 20 . 1 1 32 32 GLN CA C 32 58.220 58.220 59.030 -0.810 19750 7359 1 20 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.490 -0.470 19750 7360 1 20 . 1 1 32 32 GLN H H 32 8.216 8.216 7.764 0.452 19750 7361 1 20 . 1 1 33 33 ALA N N 33 121.340 121.340 119.280 2.060 19750 7362 1 20 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.080 0.105 19750 7363 1 20 . 1 1 33 33 ALA C C 33 179.050 179.050 178.017 1.033 19750 7364 1 20 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.770 -0.310 19750 7365 1 20 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.296 -0.576 19750 7366 1 20 . 1 1 33 33 ALA H H 33 7.647 7.647 7.525 0.122 19750 7367 1 20 . 1 1 34 34 ARG N N 34 117.580 117.580 117.705 -0.125 19750 7368 1 20 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.210 0.096 19750 7369 1 20 . 1 1 34 34 ARG C C 34 176.800 176.800 176.555 0.245 19750 7370 1 20 . 1 1 34 34 ARG CA C 34 56.230 56.230 56.808 -0.578 19750 7371 1 20 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.872 -1.222 19750 7372 1 20 . 1 1 34 34 ARG H H 34 7.612 7.612 8.123 -0.511 19750 7373 1 20 . 1 1 35 35 SER N N 35 114.960 114.960 114.165 0.795 19750 7374 1 20 . 1 1 35 35 SER HA H 35 4.343 4.343 4.558 -0.215 19750 7375 1 20 . 1 1 35 35 SER C C 35 175.290 175.290 175.933 -0.643 19750 7376 1 20 . 1 1 35 35 SER CA C 35 58.930 58.930 57.802 1.128 19750 7377 1 20 . 1 1 35 35 SER CB C 35 63.370 63.370 64.620 -1.250 19750 7378 1 20 . 1 1 35 35 SER H H 35 7.827 7.827 7.842 -0.015 19750 7379 1 20 . 1 1 36 36 GLY N N 36 110.340 110.340 110.982 -0.642 19750 7380 1 20 . 1 1 36 36 GLY C C 36 174.840 174.840 174.104 0.736 19750 7381 1 20 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.191 1.149 19750 7382 1 20 . 1 1 36 36 GLY H H 36 8.132 8.132 8.725 -0.593 19750 7383 1 20 . 1 1 37 37 GLY N N 37 108.880 108.880 107.134 1.746 19750 7384 1 20 . 1 1 37 37 GLY C C 37 174.400 174.400 174.707 -0.307 19750 7385 1 20 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.541 0.429 19750 7386 1 20 . 1 1 37 37 GLY H H 37 8.190 8.190 7.328 0.862 19750 7387 1 20 . 1 1 38 38 ARG N N 38 120.630 120.630 122.180 -1.550 19750 7388 1 20 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.513 -0.198 19750 7389 1 20 . 1 1 38 38 ARG C C 38 176.900 176.900 175.708 1.192 19750 7390 1 20 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.571 0.479 19750 7391 1 20 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.790 -0.040 19750 7392 1 20 . 1 1 38 38 ARG H H 38 8.118 8.118 8.388 -0.270 19750 7393 1 20 . 1 1 39 39 GLY N N 39 109.360 109.360 108.655 0.705 19750 7394 1 20 . 1 1 39 39 GLY C C 39 174.690 174.690 174.087 0.603 19750 7395 1 20 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.853 0.267 19750 7396 1 20 . 1 1 39 39 GLY H H 39 8.374 8.374 8.085 0.289 19750 7397 1 20 . 1 1 40 40 GLY N N 40 109.060 109.060 107.877 1.183 19750 7398 1 20 . 1 1 40 40 GLY C C 40 174.680 174.680 174.381 0.299 19750 7399 1 20 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.646 0.434 19750 7400 1 20 . 1 1 40 40 GLY H H 40 7.995 7.995 8.513 -0.518 19750 7401 1 20 . 1 1 41 41 TRP N N 41 121.260 121.260 127.440 -6.180 19750 7402 1 20 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.738 -0.339 19750 7403 1 20 . 1 1 41 41 TRP C C 41 177.300 177.300 176.349 0.951 19750 7404 1 20 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.308 1.272 19750 7405 1 20 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.769 -2.079 19750 7406 1 20 . 1 1 41 41 TRP H H 41 8.176 8.176 8.981 -0.805 19750 7407 1 20 . 1 1 42 42 MET N N 42 118.570 118.570 120.333 -1.763 19750 7408 1 20 . 1 1 42 42 MET HA H 42 4.185 4.185 4.108 0.077 19750 7409 1 20 . 1 1 42 42 MET C C 42 177.930 177.930 178.240 -0.310 19750 7410 1 20 . 1 1 42 42 MET CA C 42 57.460 57.460 58.723 -1.263 19750 7411 1 20 . 1 1 42 42 MET CB C 42 30.920 30.920 32.246 -1.327 19750 7412 1 20 . 1 1 42 42 MET H H 42 8.120 8.120 8.364 -0.244 19750 7413 1 20 . 1 1 43 43 GLU N N 43 119.600 119.600 118.941 0.659 19750 7414 1 20 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.948 0.251 19750 7415 1 20 . 1 1 43 43 GLU C C 43 177.980 177.980 178.783 -0.803 19750 7416 1 20 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.002 -2.482 19750 7417 1 20 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.948 -1.387 19750 7418 1 20 . 1 1 43 43 GLU H H 43 7.834 7.834 8.767 -0.933 19750 7419 1 20 . 1 1 44 44 TRP N N 44 120.890 120.890 117.136 3.754 19750 7420 1 20 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.421 0.071 19750 7421 1 20 . 1 1 44 44 TRP C C 44 177.480 177.480 177.791 -0.311 19750 7422 1 20 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.862 0.098 19750 7423 1 20 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.575 -0.155 19750 7424 1 20 . 1 1 44 44 TRP H H 44 7.824 7.824 8.501 -0.677 19750 7425 1 20 . 1 1 45 45 ASP N N 45 118.210 118.210 117.978 0.232 19750 7426 1 20 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.644 -0.292 19750 7427 1 20 . 1 1 45 45 ASP C C 45 177.070 177.070 176.995 0.075 19750 7428 1 20 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.140 -0.190 19750 7429 1 20 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.805 -2.545 19750 7430 1 20 . 1 1 45 45 ASP H H 45 8.325 8.325 7.899 0.426 19750 7431 1 20 . 1 1 46 46 ARG N N 46 119.510 119.510 119.687 -0.177 19750 7432 1 20 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.369 -0.268 19750 7433 1 20 . 1 1 46 46 ARG C C 46 178.410 178.410 178.011 0.399 19750 7434 1 20 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.279 0.161 19750 7435 1 20 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.263 -2.073 19750 7436 1 20 . 1 1 46 46 ARG H H 46 7.860 7.860 8.061 -0.201 19750 7437 1 20 . 1 1 47 47 GLU N N 47 118.470 118.470 120.887 -2.417 19750 7438 1 20 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.170 0.117 19750 7439 1 20 . 1 1 47 47 GLU C C 47 178.170 178.170 178.629 -0.459 19750 7440 1 20 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.128 -1.318 19750 7441 1 20 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.489 -1.770 19750 7442 1 20 . 1 1 47 47 GLU H H 47 7.874 7.874 7.603 0.271 19750 7443 1 20 . 1 1 48 48 ILE N N 48 118.800 118.800 115.145 3.655 19750 7444 1 20 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.804 0.125 19750 7445 1 20 . 1 1 48 48 ILE C C 48 178.060 178.060 177.310 0.750 19750 7446 1 20 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.998 0.032 19750 7447 1 20 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.435 -0.445 19750 7448 1 20 . 1 1 48 48 ILE H H 48 8.199 8.199 7.594 0.605 19750 7449 1 20 . 1 1 49 49 ASN N N 49 119.580 119.580 118.958 0.622 19750 7450 1 20 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.678 -0.079 19750 7451 1 20 . 1 1 49 49 ASN C C 49 177.110 177.110 177.067 0.043 19750 7452 1 20 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.531 0.169 19750 7453 1 20 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.182 -0.102 19750 7454 1 20 . 1 1 49 49 ASN H H 49 8.085 8.085 8.000 0.085 19750 7455 1 20 . 1 1 50 50 ASN N N 50 118.690 118.690 120.099 -1.409 19750 7456 1 20 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.425 0.109 19750 7457 1 20 . 1 1 50 50 ASN C C 50 177.120 177.120 177.339 -0.219 19750 7458 1 20 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.484 -1.424 19750 7459 1 20 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.560 -0.880 19750 7460 1 20 . 1 1 50 50 ASN H H 50 8.020 8.020 8.058 -0.038 19750 7461 1 20 . 1 1 51 51 TYR N N 51 118.430 118.430 117.969 0.461 19750 7462 1 20 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.459 0.075 19750 7463 1 20 . 1 1 51 51 TYR C C 51 177.480 177.480 176.223 1.257 19750 7464 1 20 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.085 0.345 19750 7465 1 20 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.727 -1.018 19750 7466 1 20 . 1 1 51 51 TYR H H 51 8.106 8.106 7.734 0.372 19750 7467 1 20 . 1 1 52 52 THR N N 52 114.470 114.470 115.102 -0.632 19750 7468 1 20 . 1 1 52 52 THR HA H 52 3.943 3.943 4.284 -0.341 19750 7469 1 20 . 1 1 52 52 THR C C 52 176.970 176.970 176.064 0.906 19750 7470 1 20 . 1 1 52 52 THR CA C 52 66.220 66.220 65.396 0.824 19750 7471 1 20 . 1 1 52 52 THR CB C 52 67.580 67.580 69.107 -1.527 19750 7472 1 20 . 1 1 52 52 THR H H 52 8.247 8.247 7.967 0.280 19750 7473 1 20 . 1 1 53 53 SER N N 53 118.260 118.260 118.496 -0.236 19750 7474 1 20 . 1 1 53 53 SER HA H 53 4.338 4.338 4.463 -0.125 19750 7475 1 20 . 1 1 53 53 SER C C 53 176.990 176.990 175.875 1.115 19750 7476 1 20 . 1 1 53 53 SER CA C 53 61.300 61.300 60.999 0.301 19750 7477 1 20 . 1 1 53 53 SER CB C 53 62.020 62.020 63.074 -1.054 19750 7478 1 20 . 1 1 53 53 SER H H 53 8.064 8.064 7.756 0.308 19750 7479 1 20 . 1 1 54 54 LEU N N 54 123.950 123.950 122.697 1.253 19750 7480 1 20 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.088 0.162 19750 7481 1 20 . 1 1 54 54 LEU C C 54 179.060 179.060 177.629 1.431 19750 7482 1 20 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.582 0.108 19750 7483 1 20 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.163 -1.173 19750 7484 1 20 . 1 1 54 54 LEU H H 54 7.631 7.631 7.336 0.295 19750 7485 1 20 . 1 1 55 55 ILE N N 55 118.770 118.770 116.046 2.724 19750 7486 1 20 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.910 -0.191 19750 7487 1 20 . 1 1 55 55 ILE C C 55 177.570 177.570 176.864 0.706 19750 7488 1 20 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.008 2.512 19750 7489 1 20 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.993 -1.533 19750 7490 1 20 . 1 1 55 55 ILE H H 55 8.051 8.051 7.511 0.540 19750 7491 1 20 . 1 1 56 56 HIS N N 56 117.770 117.770 120.487 -2.717 19750 7492 1 20 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.427 -0.172 19750 7493 1 20 . 1 1 56 56 HIS C C 56 176.790 176.790 177.128 -0.338 19750 7494 1 20 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.180 -0.090 19750 7495 1 20 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.741 -2.141 19750 7496 1 20 . 1 1 56 56 HIS H H 56 8.339 8.339 7.766 0.573 19750 7497 1 20 . 1 1 57 57 SER N N 57 115.350 115.350 114.999 0.351 19750 7498 1 20 . 1 1 57 57 SER HA H 57 4.245 4.245 4.279 -0.034 19750 7499 1 20 . 1 1 57 57 SER C C 57 175.990 175.990 175.968 0.022 19750 7500 1 20 . 1 1 57 57 SER CA C 57 61.580 61.580 61.011 0.569 19750 7501 1 20 . 1 1 57 57 SER CB C 57 62.280 62.280 62.889 -0.609 19750 7502 1 20 . 1 1 57 57 SER H H 57 8.137 8.137 7.803 0.334 19750 7503 1 20 . 1 1 58 58 LEU N N 58 122.540 122.540 122.684 -0.144 19750 7504 1 20 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.146 0.016 19750 7505 1 20 . 1 1 58 58 LEU C C 58 178.930 178.930 177.548 1.382 19750 7506 1 20 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.120 0.170 19750 7507 1 20 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.197 -1.007 19750 7508 1 20 . 1 1 58 58 LEU H H 58 7.914 7.914 7.577 0.337 19750 7509 1 20 . 1 1 59 59 ILE N N 59 118.010 118.010 117.971 0.039 19750 7510 1 20 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.654 0.135 19750 7511 1 20 . 1 1 59 59 ILE C C 59 178.120 178.120 177.716 0.404 19750 7512 1 20 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.524 -1.694 19750 7513 1 20 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.078 -0.928 19750 7514 1 20 . 1 1 59 59 ILE H H 59 7.921 7.921 7.403 0.518 19750 7515 1 20 . 1 1 60 60 GLU N N 60 119.640 119.640 119.207 0.433 19750 7516 1 20 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.825 0.309 19750 7517 1 20 . 1 1 60 60 GLU C C 60 177.950 177.950 177.776 0.174 19750 7518 1 20 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.273 -1.713 19750 7519 1 20 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.464 -1.754 19750 7520 1 20 . 1 1 60 60 GLU H H 60 7.925 7.925 7.673 0.252 19750 7521 1 20 . 1 1 61 61 GLU N N 61 118.990 118.990 116.496 2.494 19750 7522 1 20 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.250 -0.005 19750 7523 1 20 . 1 1 61 61 GLU C C 61 177.450 177.450 177.764 -0.314 19750 7524 1 20 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.071 -0.971 19750 7525 1 20 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.816 -2.196 19750 7526 1 20 . 1 1 61 61 GLU H H 61 8.048 8.048 7.582 0.466 19750 7527 1 20 . 1 1 62 62 SER N N 62 115.260 115.260 115.004 0.256 19750 7528 1 20 . 1 1 62 62 SER HA H 62 4.324 4.324 4.441 -0.117 19750 7529 1 20 . 1 1 62 62 SER C C 62 174.940 174.940 174.680 0.260 19750 7530 1 20 . 1 1 62 62 SER CA C 62 59.620 59.620 60.360 -0.740 19750 7531 1 20 . 1 1 62 62 SER CB C 62 63.130 63.130 63.922 -0.792 19750 7532 1 20 . 1 1 62 62 SER H H 62 7.893 7.893 7.558 0.335 19750 7533 1 20 . 1 1 63 63 GLN N N 63 120.400 120.400 120.922 -0.522 19750 7534 1 20 . 1 1 63 63 GLN C C 63 176.070 176.070 175.077 0.993 19750 7535 1 20 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.361 0.429 19750 7536 1 20 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.982 0.718 19750 7537 1 20 . 1 1 63 63 GLN H H 63 7.824 7.824 8.101 -0.277 19750 7538 1 20 . 1 1 64 64 ASN N N 64 119.180 119.180 123.221 -4.041 19750 7539 1 20 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.810 -0.115 19750 7540 1 20 . 1 1 64 64 ASN C C 64 175.300 175.300 174.982 0.318 19750 7541 1 20 . 1 1 64 64 ASN CA C 64 53.280 53.280 52.795 0.485 19750 7542 1 20 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.954 -1.614 19750 7543 1 20 . 1 1 64 64 ASN H H 64 8.059 8.059 8.186 -0.127 19750 7544 1 20 . 1 1 65 65 GLN N N 65 120.740 120.740 122.259 -1.519 19750 7545 1 20 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.629 -0.309 19750 7546 1 20 . 1 1 65 65 GLN C C 65 175.890 175.890 174.794 1.096 19750 7547 1 20 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.379 0.321 19750 7548 1 20 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.364 -1.834 19750 7549 1 20 . 1 1 65 65 GLN H H 65 8.144 8.144 8.540 -0.396 19750 7550 1 20 . 1 1 66 66 GLN N N 66 121.070 121.070 122.622 -1.552 19750 7551 1 20 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.396 -0.076 19750 7552 1 20 . 1 1 66 66 GLN C C 66 175.840 175.840 175.307 0.533 19750 7553 1 20 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.170 -0.560 19750 7554 1 20 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.369 -1.699 19750 7555 1 20 . 1 1 66 66 GLN H H 66 8.199 8.199 8.722 -0.523 19750 7556 1 20 . 1 1 67 67 GLU N N 67 122.320 122.320 121.323 0.997 19750 7557 1 20 . 1 1 67 67 GLU C C 67 175.200 175.200 175.356 -0.156 19750 7558 1 20 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.450 -0.800 19750 7559 1 20 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.215 -1.805 19750 7560 1 20 . 1 1 67 67 GLU H H 67 8.194 8.194 8.490 -0.296 19750 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 66 1.885 -0.188 1.890 19750 2 1 1 "Average Difference" HA 56 0.217 0.029 0.217 19750 3 1 1 "Average Difference" C 66 0.875 -0.104 0.875 19750 4 1 1 "Average Difference" CA 65 1.079 0.318 1.039 19750 5 1 1 "Average Difference" CB 59 1.282 1.064 0.722 19750 6 1 1 "Average Difference" HN 66 0.438 -0.034 0.439 19750 7 1 2 "Average Difference" N 66 1.786 -0.180 1.791 19750 8 1 2 "Average Difference" HA 56 0.211 0.033 0.210 19750 9 1 2 "Average Difference" C 66 0.837 -0.092 0.838 19750 10 1 2 "Average Difference" CA 65 1.101 0.324 1.060 19750 11 1 2 "Average Difference" CB 59 1.320 1.068 0.782 19750 12 1 2 "Average Difference" HN 66 0.454 -0.027 0.457 19750 13 1 3 "Average Difference" N 66 1.769 -0.286 1.759 19750 14 1 3 "Average Difference" HA 56 0.207 0.015 0.208 19750 15 1 3 "Average Difference" C 66 0.869 -0.059 0.874 19750 16 1 3 "Average Difference" CA 65 1.111 0.375 1.053 19750 17 1 3 "Average Difference" CB 59 1.372 1.058 0.881 19750 18 1 3 "Average Difference" HN 66 0.458 -0.029 0.460 19750 19 1 4 "Average Difference" N 66 1.816 -0.154 1.823 19750 20 1 4 "Average Difference" HA 56 0.210 0.042 0.208 19750 21 1 4 "Average Difference" C 66 0.844 -0.125 0.841 19750 22 1 4 "Average Difference" CA 65 1.066 0.291 1.034 19750 23 1 4 "Average Difference" CB 59 1.308 1.078 0.746 19750 24 1 4 "Average Difference" HN 66 0.436 -0.017 0.439 19750 25 1 5 "Average Difference" N 66 1.818 -0.149 1.825 19750 26 1 5 "Average Difference" HA 56 0.207 0.038 0.205 19750 27 1 5 "Average Difference" C 66 0.856 -0.130 0.853 19750 28 1 5 "Average Difference" CA 65 1.050 0.293 1.016 19750 29 1 5 "Average Difference" CB 59 1.301 1.073 0.742 19750 30 1 5 "Average Difference" HN 66 0.452 -0.016 0.455 19750 31 1 6 "Average Difference" N 66 1.786 -0.128 1.795 19750 32 1 6 "Average Difference" HA 56 0.204 0.028 0.204 19750 33 1 6 "Average Difference" C 66 0.840 -0.108 0.840 19750 34 1 6 "Average Difference" CA 65 1.060 0.323 1.017 19750 35 1 6 "Average Difference" CB 59 1.310 1.054 0.785 19750 36 1 6 "Average Difference" HN 66 0.443 -0.026 0.446 19750 37 1 7 "Average Difference" N 66 1.812 -0.192 1.815 19750 38 1 7 "Average Difference" HA 56 0.217 0.040 0.215 19750 39 1 7 "Average Difference" C 66 0.874 -0.134 0.870 19750 40 1 7 "Average Difference" CA 65 1.088 0.311 1.050 19750 41 1 7 "Average Difference" CB 59 1.324 1.061 0.799 19750 42 1 7 "Average Difference" HN 66 0.479 -0.020 0.482 19750 43 1 8 "Average Difference" N 66 1.737 -0.272 1.729 19750 44 1 8 "Average Difference" HA 56 0.211 0.009 0.213 19750 45 1 8 "Average Difference" C 66 0.896 -0.079 0.899 19750 46 1 8 "Average Difference" CA 65 1.099 0.387 1.036 19750 47 1 8 "Average Difference" CB 59 1.335 1.028 0.859 19750 48 1 8 "Average Difference" HN 66 0.455 -0.029 0.457 19750 49 1 9 "Average Difference" N 66 1.910 -0.284 1.903 19750 50 1 9 "Average Difference" HA 56 0.225 0.036 0.224 19750 51 1 9 "Average Difference" C 66 0.867 -0.127 0.864 19750 52 1 9 "Average Difference" CA 65 1.072 0.285 1.041 19750 53 1 9 "Average Difference" CB 59 1.323 1.070 0.784 19750 54 1 9 "Average Difference" HN 66 0.464 -0.050 0.465 19750 55 1 10 "Average Difference" N 66 1.775 -0.156 1.781 19750 56 1 10 "Average Difference" HA 56 0.200 0.010 0.202 19750 57 1 10 "Average Difference" C 66 0.834 -0.074 0.838 19750 58 1 10 "Average Difference" CA 65 1.087 0.380 1.026 19750 59 1 10 "Average Difference" CB 59 1.288 1.055 0.744 19750 60 1 10 "Average Difference" HN 66 0.454 -0.033 0.456 19750 61 1 11 "Average Difference" N 66 1.735 -0.258 1.729 19750 62 1 11 "Average Difference" HA 56 0.212 0.004 0.214 19750 63 1 11 "Average Difference" C 66 0.885 -0.050 0.891 19750 64 1 11 "Average Difference" CA 65 1.109 0.421 1.034 19750 65 1 11 "Average Difference" CB 59 1.332 1.035 0.846 19750 66 1 11 "Average Difference" HN 66 0.455 -0.031 0.457 19750 67 1 12 "Average Difference" N 66 1.816 -0.198 1.819 19750 68 1 12 "Average Difference" HA 56 0.209 0.036 0.208 19750 69 1 12 "Average Difference" C 66 0.832 -0.110 0.831 19750 70 1 12 "Average Difference" CA 65 1.083 0.317 1.044 19750 71 1 12 "Average Difference" CB 59 1.311 1.061 0.776 19750 72 1 12 "Average Difference" HN 66 0.437 -0.032 0.439 19750 73 1 13 "Average Difference" N 66 1.783 -0.164 1.789 19750 74 1 13 "Average Difference" HA 56 0.208 0.018 0.209 19750 75 1 13 "Average Difference" C 66 0.844 -0.070 0.848 19750 76 1 13 "Average Difference" CA 65 1.072 0.361 1.017 19750 77 1 13 "Average Difference" CB 59 1.312 1.051 0.792 19750 78 1 13 "Average Difference" HN 66 0.468 -0.031 0.470 19750 79 1 14 "Average Difference" N 66 1.794 -0.233 1.792 19750 80 1 14 "Average Difference" HA 56 0.205 0.016 0.206 19750 81 1 14 "Average Difference" C 66 0.835 -0.093 0.836 19750 82 1 14 "Average Difference" CA 65 1.067 0.355 1.014 19750 83 1 14 "Average Difference" CB 59 1.294 1.082 0.717 19750 84 1 14 "Average Difference" HN 66 0.445 -0.015 0.448 19750 85 1 15 "Average Difference" N 66 1.737 -0.123 1.746 19750 86 1 15 "Average Difference" HA 56 0.206 0.023 0.206 19750 87 1 15 "Average Difference" C 66 0.833 -0.092 0.834 19750 88 1 15 "Average Difference" CA 65 1.059 0.358 1.004 19750 89 1 15 "Average Difference" CB 59 1.322 1.070 0.782 19750 90 1 15 "Average Difference" HN 66 0.453 -0.011 0.457 19750 91 1 16 "Average Difference" N 66 1.839 -0.129 1.849 19750 92 1 16 "Average Difference" HA 56 0.211 0.037 0.210 19750 93 1 16 "Average Difference" C 66 0.837 -0.121 0.834 19750 94 1 16 "Average Difference" CA 65 1.072 0.340 1.024 19750 95 1 16 "Average Difference" CB 59 1.308 1.090 0.729 19750 96 1 16 "Average Difference" HN 66 0.429 -0.007 0.433 19750 97 1 17 "Average Difference" N 66 1.789 -0.212 1.790 19750 98 1 17 "Average Difference" HA 56 0.205 0.023 0.206 19750 99 1 17 "Average Difference" C 66 0.833 -0.105 0.833 19750 100 1 17 "Average Difference" CA 65 1.078 0.345 1.029 19750 101 1 17 "Average Difference" CB 59 1.315 1.075 0.764 19750 102 1 17 "Average Difference" HN 66 0.449 -0.024 0.452 19750 103 1 18 "Average Difference" N 66 1.758 -0.157 1.764 19750 104 1 18 "Average Difference" HA 56 0.209 0.027 0.209 19750 105 1 18 "Average Difference" C 66 0.856 -0.084 0.858 19750 106 1 18 "Average Difference" CA 65 1.099 0.362 1.046 19750 107 1 18 "Average Difference" CB 59 1.307 1.065 0.765 19750 108 1 18 "Average Difference" HN 66 0.442 -0.007 0.446 19750 109 1 19 "Average Difference" N 66 1.810 -0.198 1.813 19750 110 1 19 "Average Difference" HA 56 0.205 0.026 0.205 19750 111 1 19 "Average Difference" C 66 0.871 -0.092 0.873 19750 112 1 19 "Average Difference" CA 65 1.060 0.339 1.012 19750 113 1 19 "Average Difference" CB 59 1.308 1.068 0.762 19750 114 1 19 "Average Difference" HN 66 0.471 -0.042 0.473 19750 115 1 20 "Average Difference" N 66 1.793 -0.188 1.797 19750 116 1 20 "Average Difference" HA 56 0.200 0.021 0.201 19750 117 1 20 "Average Difference" C 66 0.839 -0.091 0.841 19750 118 1 20 "Average Difference" CA 65 1.076 0.332 1.032 19750 119 1 20 "Average Difference" CB 59 1.322 1.082 0.765 19750 120 1 20 "Average Difference" HN 66 0.452 -0.023 0.455 19750 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 19750 _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 2 110.890 110.890 111.703 -0.813 19750 2 1 . 1 1 2 2 GLY C C 2 174.890 174.890 174.438 0.452 19750 3 1 . 1 1 2 2 GLY CA C 2 45.550 45.550 45.023 0.527 19750 4 1 . 1 1 2 2 GLY H H 2 8.294 8.294 7.938 0.356 19750 5 1 . 1 1 3 3 ILE N N 3 120.800 120.800 121.170 -0.370 19750 6 1 . 1 1 3 3 ILE HA H 3 4.032 4.032 3.871 0.161 19750 7 1 . 1 1 3 3 ILE C C 3 176.740 176.740 177.398 -0.658 19750 8 1 . 1 1 3 3 ILE CA C 3 62.240 62.240 62.852 -0.612 19750 9 1 . 1 1 3 3 ILE CB C 3 37.460 37.460 38.490 -1.030 19750 10 1 . 1 1 3 3 ILE H H 3 7.861 7.861 8.201 -0.340 19750 11 1 . 1 1 4 4 VAL N N 4 121.090 121.090 119.438 1.652 19750 12 1 . 1 1 4 4 VAL HA H 4 3.883 3.883 3.825 0.058 19750 13 1 . 1 1 4 4 VAL C C 4 176.990 176.990 177.589 -0.599 19750 14 1 . 1 1 4 4 VAL CA C 4 63.620 63.620 65.433 -1.813 19750 15 1 . 1 1 4 4 VAL CB C 4 31.170 31.170 31.750 -0.580 19750 16 1 . 1 1 4 4 VAL H H 4 7.857 7.857 7.797 0.060 19750 17 1 . 1 1 5 5 GLN N N 5 121.380 121.380 119.877 1.503 19750 18 1 . 1 1 5 5 GLN HA H 5 4.235 4.235 3.891 0.344 19750 19 1 . 1 1 5 5 GLN C C 5 176.960 176.960 178.024 -1.064 19750 20 1 . 1 1 5 5 GLN CA C 5 56.750 56.750 59.537 -2.787 19750 21 1 . 1 1 5 5 GLN CB C 5 28.250 28.250 28.130 0.121 19750 22 1 . 1 1 5 5 GLN H H 5 8.051 8.051 8.601 -0.550 19750 23 1 . 1 1 6 6 GLN N N 6 119.480 119.480 117.975 1.505 19750 24 1 . 1 1 6 6 GLN HA H 6 4.368 4.368 3.934 0.434 19750 25 1 . 1 1 6 6 GLN C C 6 176.720 176.720 178.656 -1.936 19750 26 1 . 1 1 6 6 GLN CA C 6 56.120 56.120 58.953 -2.833 19750 27 1 . 1 1 6 6 GLN CB C 6 28.220 28.220 28.340 -0.120 19750 28 1 . 1 1 6 6 GLN H H 6 8.018 8.018 7.838 0.180 19750 29 1 . 1 1 7 7 GLN N N 7 120.360 120.360 118.557 1.803 19750 30 1 . 1 1 7 7 GLN HA H 7 4.189 4.189 4.016 0.173 19750 31 1 . 1 1 7 7 GLN C C 7 176.180 176.180 178.726 -2.546 19750 32 1 . 1 1 7 7 GLN CA C 7 56.850 56.850 58.730 -1.880 19750 33 1 . 1 1 7 7 GLN CB C 7 28.080 28.080 28.348 -0.268 19750 34 1 . 1 1 7 7 GLN H H 7 8.151 8.151 7.829 0.322 19750 35 1 . 1 1 8 8 ASN N N 8 119.230 119.230 118.604 0.626 19750 36 1 . 1 1 8 8 ASN HA H 8 4.452 4.452 4.564 -0.112 19750 37 1 . 1 1 8 8 ASN C C 8 176.300 176.300 177.686 -1.386 19750 38 1 . 1 1 8 8 ASN CA C 8 54.800 54.800 55.517 -0.717 19750 39 1 . 1 1 8 8 ASN CB C 8 38.200 38.200 38.187 0.013 19750 40 1 . 1 1 8 8 ASN H H 8 8.256 8.256 8.617 -0.361 19750 41 1 . 1 1 9 9 ASN N N 9 119.840 119.840 120.094 -0.254 19750 42 1 . 1 1 9 9 ASN C C 9 177.150 177.150 177.524 -0.374 19750 43 1 . 1 1 9 9 ASN CA C 9 54.940 54.940 55.397 -0.457 19750 44 1 . 1 1 9 9 ASN CB C 9 37.680 37.680 38.365 -0.685 19750 45 1 . 1 1 9 9 ASN H H 9 8.319 8.319 8.607 -0.288 19750 46 1 . 1 1 10 10 LEU N N 10 122.900 122.900 121.919 0.981 19750 47 1 . 1 1 10 10 LEU HA H 10 4.134 4.134 4.039 0.095 19750 48 1 . 1 1 10 10 LEU C C 10 178.050 178.050 178.199 -0.149 19750 49 1 . 1 1 10 10 LEU CA C 10 57.690 57.690 58.275 -0.585 19750 50 1 . 1 1 10 10 LEU CB C 10 40.760 40.760 42.029 -1.269 19750 51 1 . 1 1 10 10 LEU H H 10 8.194 8.194 8.333 -0.139 19750 52 1 . 1 1 11 11 LEU N N 11 118.800 118.800 117.774 1.026 19750 53 1 . 1 1 11 11 LEU HA H 11 4.008 4.008 4.021 -0.013 19750 54 1 . 1 1 11 11 LEU C C 11 178.830 178.830 178.855 -0.025 19750 55 1 . 1 1 11 11 LEU CA C 11 57.670 57.670 57.189 0.481 19750 56 1 . 1 1 11 11 LEU CB C 11 40.230 40.230 41.963 -1.734 19750 57 1 . 1 1 11 11 LEU H H 11 8.030 8.030 7.458 0.572 19750 58 1 . 1 1 12 12 ARG N N 12 117.710 117.710 118.424 -0.714 19750 59 1 . 1 1 12 12 ARG HA H 12 4.013 4.013 4.081 -0.068 19750 60 1 . 1 1 12 12 ARG C C 12 178.840 178.840 178.504 0.336 19750 61 1 . 1 1 12 12 ARG CA C 12 58.620 58.620 58.887 -0.267 19750 62 1 . 1 1 12 12 ARG CB C 12 29.050 29.050 30.214 -1.164 19750 63 1 . 1 1 12 12 ARG H H 12 7.845 7.845 7.538 0.307 19750 64 1 . 1 1 13 13 ALA N N 13 121.870 121.870 122.467 -0.597 19750 65 1 . 1 1 13 13 ALA HA H 13 4.194 4.194 4.102 0.092 19750 66 1 . 1 1 13 13 ALA C C 13 180.040 180.040 179.070 0.970 19750 67 1 . 1 1 13 13 ALA CA C 13 54.480 54.480 54.821 -0.340 19750 68 1 . 1 1 13 13 ALA CB C 13 17.500 17.500 18.274 -0.774 19750 69 1 . 1 1 13 13 ALA H H 13 7.681 7.681 8.487 -0.806 19750 70 1 . 1 1 14 14 ILE N N 14 118.010 118.010 118.294 -0.284 19750 71 1 . 1 1 14 14 ILE HA H 14 3.733 3.733 3.712 0.021 19750 72 1 . 1 1 14 14 ILE C C 14 177.760 177.760 178.255 -0.495 19750 73 1 . 1 1 14 14 ILE CA C 14 64.340 64.340 65.012 -0.672 19750 74 1 . 1 1 14 14 ILE CB C 14 37.200 37.200 38.210 -1.010 19750 75 1 . 1 1 14 14 ILE H H 14 7.975 7.975 7.528 0.447 19750 76 1 . 1 1 15 15 GLU N N 15 117.430 117.430 118.366 -0.936 19750 77 1 . 1 1 15 15 GLU HA H 15 3.952 3.952 4.415 -0.463 19750 78 1 . 1 1 15 15 GLU C C 15 177.030 177.030 178.176 -1.146 19750 79 1 . 1 1 15 15 GLU CA C 15 57.920 57.920 58.910 -0.990 19750 80 1 . 1 1 15 15 GLU CB C 15 27.420 27.420 29.719 -2.299 19750 81 1 . 1 1 15 15 GLU H H 15 8.110 8.110 8.116 -0.006 19750 82 1 . 1 1 16 16 ALA N N 16 119.580 119.580 120.162 -0.582 19750 83 1 . 1 1 16 16 ALA HA H 16 4.343 4.343 4.298 0.045 19750 84 1 . 1 1 16 16 ALA C C 16 178.570 178.570 176.961 1.609 19750 85 1 . 1 1 16 16 ALA CA C 16 52.650 52.650 52.833 -0.183 19750 86 1 . 1 1 16 16 ALA CB C 16 18.080 18.080 17.154 0.926 19750 87 1 . 1 1 16 16 ALA H H 16 7.457 7.457 7.956 -0.499 19750 88 1 . 1 1 17 17 GLN N N 17 118.840 118.840 113.938 4.902 19750 89 1 . 1 1 17 17 GLN HA H 17 4.431 4.431 4.464 -0.033 19750 90 1 . 1 1 17 17 GLN C C 17 176.160 176.160 176.352 -0.192 19750 91 1 . 1 1 17 17 GLN CA C 17 54.630 54.630 55.561 -0.931 19750 92 1 . 1 1 17 17 GLN CB C 17 26.380 26.380 29.292 -2.912 19750 93 1 . 1 1 17 17 GLN H H 17 7.642 7.642 8.049 -0.407 19750 94 1 . 1 1 18 18 GLN N N 18 120.730 120.730 120.942 -0.212 19750 95 1 . 1 1 18 18 GLN HA H 18 4.017 4.017 3.956 0.061 19750 96 1 . 1 1 18 18 GLN C C 18 177.480 177.480 177.452 0.028 19750 97 1 . 1 1 18 18 GLN CA C 18 58.290 58.290 59.429 -1.139 19750 98 1 . 1 1 18 18 GLN CB C 18 28.120 28.120 28.737 -0.617 19750 99 1 . 1 1 18 18 GLN H H 18 7.975 7.975 7.620 0.355 19750 100 1 . 1 1 19 19 HIS N N 19 117.470 117.470 118.509 -1.039 19750 101 1 . 1 1 19 19 HIS HA H 19 4.674 4.674 4.388 0.286 19750 102 1 . 1 1 19 19 HIS C C 19 176.330 176.330 177.454 -1.124 19750 103 1 . 1 1 19 19 HIS CA C 19 56.960 56.960 59.504 -2.544 19750 104 1 . 1 1 19 19 HIS CB C 19 27.420 27.420 29.468 -2.048 19750 105 1 . 1 1 19 19 HIS H H 19 8.697 8.697 8.470 0.227 19750 106 1 . 1 1 20 20 LEU N N 20 120.410 120.410 121.797 -1.387 19750 107 1 . 1 1 20 20 LEU HA H 20 4.050 4.050 4.136 -0.086 19750 108 1 . 1 1 20 20 LEU C C 20 179.680 179.680 178.280 1.400 19750 109 1 . 1 1 20 20 LEU CA C 20 57.740 57.740 57.553 0.187 19750 110 1 . 1 1 20 20 LEU CB C 20 40.830 40.830 41.255 -0.425 19750 111 1 . 1 1 20 20 LEU H H 20 8.026 8.026 8.314 -0.288 19750 112 1 . 1 1 21 21 LEU N N 21 121.930 121.930 119.256 2.674 19750 113 1 . 1 1 21 21 LEU HA H 21 4.059 4.059 3.959 0.100 19750 114 1 . 1 1 21 21 LEU C C 21 178.540 178.540 179.375 -0.835 19750 115 1 . 1 1 21 21 LEU CA C 21 58.130 58.130 58.589 -0.459 19750 116 1 . 1 1 21 21 LEU CB C 21 40.130 40.130 40.774 -0.644 19750 117 1 . 1 1 21 21 LEU H H 21 8.433 8.433 7.618 0.815 19750 118 1 . 1 1 22 22 GLN N N 22 118.540 118.540 117.930 0.610 19750 119 1 . 1 1 22 22 GLN HA H 22 4.013 4.013 4.177 -0.164 19750 120 1 . 1 1 22 22 GLN C C 22 179.430 179.430 178.656 0.774 19750 121 1 . 1 1 22 22 GLN CA C 22 58.900 58.900 58.604 0.296 19750 122 1 . 1 1 22 22 GLN CB C 22 27.470 27.470 28.506 -1.036 19750 123 1 . 1 1 22 22 GLN H H 22 8.087 8.087 7.596 0.491 19750 124 1 . 1 1 23 23 LEU N N 23 120.750 120.750 121.040 -0.290 19750 125 1 . 1 1 23 23 LEU HA H 23 4.231 4.231 4.017 0.214 19750 126 1 . 1 1 23 23 LEU C C 23 178.420 178.420 178.838 -0.418 19750 127 1 . 1 1 23 23 LEU CA C 23 57.630 57.630 58.155 -0.525 19750 128 1 . 1 1 23 23 LEU CB C 23 41.290 41.290 42.127 -0.837 19750 129 1 . 1 1 23 23 LEU H H 23 8.013 8.013 8.591 -0.578 19750 130 1 . 1 1 24 24 THR N N 24 116.790 116.790 115.662 1.128 19750 131 1 . 1 1 24 24 THR C C 24 176.180 176.180 176.664 -0.484 19750 132 1 . 1 1 24 24 THR H H 24 8.024 8.024 8.424 -0.400 19750 133 1 . 1 1 25 25 VAL N N 25 121.130 121.130 121.236 -0.106 19750 134 1 . 1 1 25 25 VAL HA H 25 3.575 3.575 3.896 -0.321 19750 135 1 . 1 1 25 25 VAL C C 25 177.600 177.600 177.872 -0.272 19750 136 1 . 1 1 25 25 VAL CA C 25 66.820 66.820 66.285 0.535 19750 137 1 . 1 1 25 25 VAL CB C 25 30.830 30.830 31.582 -0.752 19750 138 1 . 1 1 25 25 VAL H H 25 8.068 8.068 7.465 0.603 19750 139 1 . 1 1 26 26 TRP N N 26 120.520 120.520 120.406 0.114 19750 140 1 . 1 1 26 26 TRP HA H 26 4.180 4.180 4.712 -0.532 19750 141 1 . 1 1 26 26 TRP C C 26 178.700 178.700 178.602 0.098 19750 142 1 . 1 1 26 26 TRP CA C 26 61.430 61.430 60.554 0.876 19750 143 1 . 1 1 26 26 TRP CB C 26 27.740 27.740 29.002 -1.262 19750 144 1 . 1 1 26 26 TRP H H 26 7.983 7.983 8.832 -0.849 19750 145 1 . 1 1 27 27 GLY N N 27 107.880 107.880 108.431 -0.551 19750 146 1 . 1 1 27 27 GLY C C 27 174.990 174.990 175.860 -0.870 19750 147 1 . 1 1 27 27 GLY CA C 27 47.240 47.240 47.138 0.102 19750 148 1 . 1 1 27 27 GLY H H 27 8.846 8.846 8.720 0.126 19750 149 1 . 1 1 28 28 ILE N N 28 122.330 122.330 117.691 4.639 19750 150 1 . 1 1 28 28 ILE HA H 28 3.612 3.612 3.913 -0.301 19750 151 1 . 1 1 28 28 ILE C C 28 178.030 178.030 177.272 0.758 19750 152 1 . 1 1 28 28 ILE CA C 28 64.860 64.860 64.093 0.766 19750 153 1 . 1 1 28 28 ILE CB C 28 36.510 36.510 37.503 -0.993 19750 154 1 . 1 1 28 28 ILE H H 28 8.427 8.427 7.686 0.742 19750 155 1 . 1 1 29 29 LYS N N 29 119.850 119.850 121.192 -1.342 19750 156 1 . 1 1 29 29 LYS HA H 29 4.022 4.022 3.956 0.066 19750 157 1 . 1 1 29 29 LYS C C 29 180.050 180.050 178.822 1.228 19750 158 1 . 1 1 29 29 LYS CA C 29 59.270 59.270 59.211 0.059 19750 159 1 . 1 1 29 29 LYS CB C 29 30.680 30.680 31.960 -1.280 19750 160 1 . 1 1 29 29 LYS H H 29 7.993 7.993 7.510 0.483 19750 161 1 . 1 1 30 30 GLN N N 30 118.870 118.870 118.373 0.497 19750 162 1 . 1 1 30 30 GLN HA H 30 3.840 3.840 4.070 -0.230 19750 163 1 . 1 1 30 30 GLN C C 30 178.750 178.750 178.614 0.136 19750 164 1 . 1 1 30 30 GLN CA C 30 57.160 57.160 58.392 -1.232 19750 165 1 . 1 1 30 30 GLN CB C 30 26.860 26.860 28.469 -1.609 19750 166 1 . 1 1 30 30 GLN H H 30 7.800 7.800 7.784 0.016 19750 167 1 . 1 1 31 31 LEU N N 31 120.220 120.220 120.592 -0.372 19750 168 1 . 1 1 31 31 LEU HA H 31 3.966 3.966 4.154 -0.188 19750 169 1 . 1 1 31 31 LEU C C 31 179.300 179.300 178.839 0.461 19750 170 1 . 1 1 31 31 LEU CA C 31 57.210 57.210 57.891 -0.681 19750 171 1 . 1 1 31 31 LEU CB C 31 40.660 40.660 41.765 -1.105 19750 172 1 . 1 1 31 31 LEU H H 31 7.873 7.873 7.700 0.173 19750 173 1 . 1 1 32 32 GLN N N 32 118.830 118.830 119.621 -0.791 19750 174 1 . 1 1 32 32 GLN HA H 32 3.943 3.943 3.881 0.062 19750 175 1 . 1 1 32 32 GLN C C 32 177.910 177.910 178.236 -0.326 19750 176 1 . 1 1 32 32 GLN CA C 32 58.220 58.220 58.911 -0.691 19750 177 1 . 1 1 32 32 GLN CB C 32 28.020 28.020 28.539 -0.519 19750 178 1 . 1 1 32 32 GLN H H 32 8.216 8.216 7.967 0.249 19750 179 1 . 1 1 33 33 ALA N N 33 121.340 121.340 119.012 2.328 19750 180 1 . 1 1 33 33 ALA HA H 33 4.185 4.185 4.138 0.047 19750 181 1 . 1 1 33 33 ALA C C 33 179.050 179.050 177.915 1.135 19750 182 1 . 1 1 33 33 ALA CA C 33 53.460 53.460 53.332 0.128 19750 183 1 . 1 1 33 33 ALA CB C 33 17.720 17.720 18.370 -0.651 19750 184 1 . 1 1 33 33 ALA H H 33 7.647 7.647 7.610 0.037 19750 185 1 . 1 1 34 34 ARG N N 34 117.580 117.580 118.252 -0.672 19750 186 1 . 1 1 34 34 ARG HA H 34 4.306 4.306 4.153 0.153 19750 187 1 . 1 1 34 34 ARG C C 34 176.800 176.800 176.738 0.062 19750 188 1 . 1 1 34 34 ARG CA C 34 56.230 56.230 57.122 -0.892 19750 189 1 . 1 1 34 34 ARG CB C 34 29.650 29.650 30.625 -0.975 19750 190 1 . 1 1 34 34 ARG H H 34 7.612 7.612 8.059 -0.447 19750 191 1 . 1 1 35 35 SER N N 35 114.960 114.960 113.846 1.114 19750 192 1 . 1 1 35 35 SER HA H 35 4.343 4.343 4.506 -0.163 19750 193 1 . 1 1 35 35 SER C C 35 175.290 175.290 175.753 -0.463 19750 194 1 . 1 1 35 35 SER CA C 35 58.930 58.930 57.898 1.032 19750 195 1 . 1 1 35 35 SER CB C 35 63.370 63.370 64.530 -1.160 19750 196 1 . 1 1 35 35 SER H H 35 7.827 7.827 7.613 0.214 19750 197 1 . 1 1 36 36 GLY N N 36 110.340 110.340 110.318 0.022 19750 198 1 . 1 1 36 36 GLY C C 36 174.840 174.840 174.045 0.795 19750 199 1 . 1 1 36 36 GLY CA C 36 45.340 45.340 44.246 1.094 19750 200 1 . 1 1 36 36 GLY H H 36 8.132 8.132 8.636 -0.504 19750 201 1 . 1 1 37 37 GLY N N 37 108.880 108.880 107.062 1.818 19750 202 1 . 1 1 37 37 GLY C C 37 174.400 174.400 174.624 -0.224 19750 203 1 . 1 1 37 37 GLY CA C 37 44.970 44.970 44.494 0.476 19750 204 1 . 1 1 37 37 GLY H H 37 8.190 8.190 7.436 0.754 19750 205 1 . 1 1 38 38 ARG N N 38 120.630 120.630 121.864 -1.234 19750 206 1 . 1 1 38 38 ARG HA H 38 4.315 4.315 4.540 -0.225 19750 207 1 . 1 1 38 38 ARG C C 38 176.900 176.900 175.924 0.976 19750 208 1 . 1 1 38 38 ARG CA C 38 56.050 56.050 55.704 0.346 19750 209 1 . 1 1 38 38 ARG CB C 38 29.750 29.750 29.929 -0.179 19750 210 1 . 1 1 38 38 ARG H H 38 8.118 8.118 8.476 -0.358 19750 211 1 . 1 1 39 39 GLY N N 39 109.360 109.360 108.734 0.626 19750 212 1 . 1 1 39 39 GLY C C 39 174.690 174.690 173.935 0.755 19750 213 1 . 1 1 39 39 GLY CA C 39 45.120 45.120 44.670 0.450 19750 214 1 . 1 1 39 39 GLY H H 39 8.374 8.374 8.177 0.197 19750 215 1 . 1 1 40 40 GLY N N 40 109.060 109.060 107.736 1.325 19750 216 1 . 1 1 40 40 GLY C C 40 174.680 174.680 174.085 0.595 19750 217 1 . 1 1 40 40 GLY CA C 40 45.080 45.080 44.835 0.245 19750 218 1 . 1 1 40 40 GLY H H 40 7.995 7.995 8.420 -0.425 19750 219 1 . 1 1 41 41 TRP N N 41 121.260 121.260 127.159 -5.899 19750 220 1 . 1 1 41 41 TRP HA H 41 4.399 4.399 4.770 -0.371 19750 221 1 . 1 1 41 41 TRP C C 41 177.300 177.300 176.162 1.138 19750 222 1 . 1 1 41 41 TRP CA C 41 58.580 58.580 57.277 1.302 19750 223 1 . 1 1 41 41 TRP CB C 41 28.690 28.690 30.743 -2.053 19750 224 1 . 1 1 41 41 TRP H H 41 8.176 8.176 8.950 -0.774 19750 225 1 . 1 1 42 42 MET N N 42 118.570 118.570 120.342 -1.772 19750 226 1 . 1 1 42 42 MET HA H 42 4.185 4.185 4.236 -0.051 19750 227 1 . 1 1 42 42 MET C C 42 177.930 177.930 178.285 -0.355 19750 228 1 . 1 1 42 42 MET CA C 42 57.460 57.460 58.693 -1.233 19750 229 1 . 1 1 42 42 MET CB C 42 30.920 30.920 32.291 -1.371 19750 230 1 . 1 1 42 42 MET H H 42 8.120 8.120 8.243 -0.123 19750 231 1 . 1 1 43 43 GLU N N 43 119.600 119.600 118.984 0.616 19750 232 1 . 1 1 43 43 GLU HA H 43 4.199 4.199 3.955 0.244 19750 233 1 . 1 1 43 43 GLU C C 43 177.980 177.980 178.801 -0.821 19750 234 1 . 1 1 43 43 GLU CA C 43 57.520 57.520 60.092 -2.572 19750 235 1 . 1 1 43 43 GLU CB C 43 27.560 27.560 28.937 -1.377 19750 236 1 . 1 1 43 43 GLU H H 43 7.834 7.834 8.813 -0.979 19750 237 1 . 1 1 44 44 TRP N N 44 120.890 120.890 117.115 3.775 19750 238 1 . 1 1 44 44 TRP HA H 44 4.492 4.492 4.442 0.050 19750 239 1 . 1 1 44 44 TRP C C 44 177.480 177.480 177.687 -0.207 19750 240 1 . 1 1 44 44 TRP CA C 44 58.960 58.960 58.650 0.310 19750 241 1 . 1 1 44 44 TRP CB C 44 28.420 28.420 28.515 -0.095 19750 242 1 . 1 1 44 44 TRP H H 44 7.824 7.824 8.455 -0.631 19750 243 1 . 1 1 45 45 ASP N N 45 118.210 118.210 118.163 0.047 19750 244 1 . 1 1 45 45 ASP HA H 45 4.352 4.352 4.640 -0.288 19750 245 1 . 1 1 45 45 ASP C C 45 177.070 177.070 176.979 0.091 19750 246 1 . 1 1 45 45 ASP CA C 45 55.950 55.950 56.150 -0.200 19750 247 1 . 1 1 45 45 ASP CB C 45 38.260 38.260 40.670 -2.410 19750 248 1 . 1 1 45 45 ASP H H 45 8.325 8.325 8.119 0.206 19750 249 1 . 1 1 46 46 ARG N N 46 119.510 119.510 119.727 -0.217 19750 250 1 . 1 1 46 46 ARG HA H 46 4.101 4.101 4.364 -0.263 19750 251 1 . 1 1 46 46 ARG C C 46 178.410 178.410 177.984 0.426 19750 252 1 . 1 1 46 46 ARG CA C 46 58.440 58.440 58.235 0.205 19750 253 1 . 1 1 46 46 ARG CB C 46 29.190 29.190 31.279 -2.089 19750 254 1 . 1 1 46 46 ARG H H 46 7.860 7.860 8.040 -0.180 19750 255 1 . 1 1 47 47 GLU N N 47 118.470 118.470 120.888 -2.418 19750 256 1 . 1 1 47 47 GLU HA H 47 4.287 4.287 4.170 0.117 19750 257 1 . 1 1 47 47 GLU C C 47 178.170 178.170 178.627 -0.457 19750 258 1 . 1 1 47 47 GLU CA C 47 57.810 57.810 59.123 -1.313 19750 259 1 . 1 1 47 47 GLU CB C 47 27.720 27.720 29.487 -1.767 19750 260 1 . 1 1 47 47 GLU H H 47 7.874 7.874 7.662 0.212 19750 261 1 . 1 1 48 48 ILE N N 48 118.800 118.800 115.146 3.654 19750 262 1 . 1 1 48 48 ILE HA H 48 3.929 3.929 3.801 0.128 19750 263 1 . 1 1 48 48 ILE C C 48 178.060 178.060 177.308 0.752 19750 264 1 . 1 1 48 48 ILE CA C 48 64.030 64.030 63.999 0.031 19750 265 1 . 1 1 48 48 ILE CB C 48 36.990 36.990 37.429 -0.439 19750 266 1 . 1 1 48 48 ILE H H 48 8.199 8.199 7.595 0.604 19750 267 1 . 1 1 49 49 ASN N N 49 119.580 119.580 118.974 0.606 19750 268 1 . 1 1 49 49 ASN HA H 49 4.599 4.599 4.682 -0.083 19750 269 1 . 1 1 49 49 ASN C C 49 177.110 177.110 177.168 -0.058 19750 270 1 . 1 1 49 49 ASN CA C 49 55.700 55.700 55.476 0.224 19750 271 1 . 1 1 49 49 ASN CB C 49 38.080 38.080 38.186 -0.106 19750 272 1 . 1 1 49 49 ASN H H 49 8.085 8.085 8.005 0.080 19750 273 1 . 1 1 50 50 ASN N N 50 118.690 118.690 120.232 -1.542 19750 274 1 . 1 1 50 50 ASN HA H 50 4.534 4.534 4.430 0.104 19750 275 1 . 1 1 50 50 ASN C C 50 177.120 177.120 177.284 -0.164 19750 276 1 . 1 1 50 50 ASN CA C 50 55.060 55.060 56.481 -1.421 19750 277 1 . 1 1 50 50 ASN CB C 50 37.680 37.680 38.556 -0.876 19750 278 1 . 1 1 50 50 ASN H H 50 8.020 8.020 8.071 -0.051 19750 279 1 . 1 1 51 51 TYR N N 51 118.430 118.430 117.960 0.470 19750 280 1 . 1 1 51 51 TYR HA H 51 4.534 4.534 4.465 0.069 19750 281 1 . 1 1 51 51 TYR C C 51 177.480 177.480 176.214 1.266 19750 282 1 . 1 1 51 51 TYR CA C 51 60.430 60.430 60.053 0.377 19750 283 1 . 1 1 51 51 TYR CB C 51 37.710 37.710 38.734 -1.025 19750 284 1 . 1 1 51 51 TYR H H 51 8.106 8.106 7.733 0.373 19750 285 1 . 1 1 52 52 THR N N 52 114.470 114.470 115.141 -0.671 19750 286 1 . 1 1 52 52 THR HA H 52 3.943 3.943 4.279 -0.336 19750 287 1 . 1 1 52 52 THR C C 52 176.970 176.970 176.065 0.905 19750 288 1 . 1 1 52 52 THR CA C 52 66.220 66.220 65.400 0.820 19750 289 1 . 1 1 52 52 THR CB C 52 67.580 67.580 69.101 -1.521 19750 290 1 . 1 1 52 52 THR H H 52 8.247 8.247 7.974 0.273 19750 291 1 . 1 1 53 53 SER N N 53 118.260 118.260 118.488 -0.228 19750 292 1 . 1 1 53 53 SER HA H 53 4.338 4.338 4.469 -0.131 19750 293 1 . 1 1 53 53 SER C C 53 176.990 176.990 175.878 1.112 19750 294 1 . 1 1 53 53 SER CA C 53 61.300 61.300 61.008 0.292 19750 295 1 . 1 1 53 53 SER CB C 53 62.020 62.020 63.065 -1.046 19750 296 1 . 1 1 53 53 SER H H 53 8.064 8.064 7.759 0.305 19750 297 1 . 1 1 54 54 LEU N N 54 123.950 123.950 122.771 1.179 19750 298 1 . 1 1 54 54 LEU HA H 54 4.250 4.250 4.079 0.171 19750 299 1 . 1 1 54 54 LEU C C 54 179.060 179.060 177.551 1.509 19750 300 1 . 1 1 54 54 LEU CA C 54 57.690 57.690 57.738 -0.048 19750 301 1 . 1 1 54 54 LEU CB C 54 40.990 40.990 42.138 -1.148 19750 302 1 . 1 1 54 54 LEU H H 54 7.631 7.631 7.372 0.259 19750 303 1 . 1 1 55 55 ILE N N 55 118.770 118.770 116.152 2.618 19750 304 1 . 1 1 55 55 ILE HA H 55 3.719 3.719 3.879 -0.160 19750 305 1 . 1 1 55 55 ILE C C 55 177.570 177.570 176.796 0.774 19750 306 1 . 1 1 55 55 ILE CA C 55 64.520 64.520 62.078 2.442 19750 307 1 . 1 1 55 55 ILE CB C 55 36.460 36.460 37.865 -1.405 19750 308 1 . 1 1 55 55 ILE H H 55 8.051 8.051 7.517 0.534 19750 309 1 . 1 1 56 56 HIS N N 56 117.770 117.770 120.398 -2.628 19750 310 1 . 1 1 56 56 HIS HA H 56 4.255 4.255 4.441 -0.186 19750 311 1 . 1 1 56 56 HIS C C 56 176.790 176.790 177.158 -0.368 19750 312 1 . 1 1 56 56 HIS CA C 56 59.090 59.090 59.034 0.056 19750 313 1 . 1 1 56 56 HIS CB C 56 27.600 27.600 29.759 -2.159 19750 314 1 . 1 1 56 56 HIS H H 56 8.339 8.339 7.754 0.585 19750 315 1 . 1 1 57 57 SER N N 57 115.350 115.350 115.208 0.142 19750 316 1 . 1 1 57 57 SER HA H 57 4.245 4.245 4.248 -0.003 19750 317 1 . 1 1 57 57 SER C C 57 175.990 175.990 175.979 0.011 19750 318 1 . 1 1 57 57 SER CA C 57 61.580 61.580 61.492 0.088 19750 319 1 . 1 1 57 57 SER CB C 57 62.280 62.280 62.998 -0.718 19750 320 1 . 1 1 57 57 SER H H 57 8.137 8.137 7.853 0.284 19750 321 1 . 1 1 58 58 LEU N N 58 122.540 122.540 123.089 -0.549 19750 322 1 . 1 1 58 58 LEU HA H 58 4.162 4.162 4.137 0.025 19750 323 1 . 1 1 58 58 LEU C C 58 178.930 178.930 178.038 0.892 19750 324 1 . 1 1 58 58 LEU CA C 58 57.290 57.290 57.314 -0.024 19750 325 1 . 1 1 58 58 LEU CB C 58 41.190 41.190 42.111 -0.921 19750 326 1 . 1 1 58 58 LEU H H 58 7.914 7.914 7.549 0.365 19750 327 1 . 1 1 59 59 ILE N N 59 118.010 118.010 118.865 -0.855 19750 328 1 . 1 1 59 59 ILE HA H 59 3.789 3.789 3.647 0.142 19750 329 1 . 1 1 59 59 ILE C C 59 178.120 178.120 177.537 0.583 19750 330 1 . 1 1 59 59 ILE CA C 59 63.830 63.830 65.495 -1.665 19750 331 1 . 1 1 59 59 ILE CB C 59 37.150 37.150 38.012 -0.862 19750 332 1 . 1 1 59 59 ILE H H 59 7.921 7.921 7.396 0.524 19750 333 1 . 1 1 60 60 GLU N N 60 119.640 119.640 119.452 0.188 19750 334 1 . 1 1 60 60 GLU HA H 60 4.134 4.134 3.810 0.324 19750 335 1 . 1 1 60 60 GLU C C 60 177.950 177.950 177.872 0.078 19750 336 1 . 1 1 60 60 GLU CA C 60 57.560 57.560 59.322 -1.762 19750 337 1 . 1 1 60 60 GLU CB C 60 27.710 27.710 29.460 -1.750 19750 338 1 . 1 1 60 60 GLU H H 60 7.925 7.925 7.738 0.187 19750 339 1 . 1 1 61 61 GLU N N 61 118.990 118.990 116.704 2.286 19750 340 1 . 1 1 61 61 GLU HA H 61 4.245 4.245 4.207 0.038 19750 341 1 . 1 1 61 61 GLU C C 61 177.450 177.450 177.978 -0.528 19750 342 1 . 1 1 61 61 GLU CA C 61 57.100 57.100 58.249 -1.149 19750 343 1 . 1 1 61 61 GLU CB C 61 27.620 27.620 29.820 -2.200 19750 344 1 . 1 1 61 61 GLU H H 61 8.048 8.048 7.641 0.407 19750 345 1 . 1 1 62 62 SER N N 62 115.260 115.260 114.828 0.432 19750 346 1 . 1 1 62 62 SER HA H 62 4.324 4.324 4.380 -0.056 19750 347 1 . 1 1 62 62 SER C C 62 174.940 174.940 175.146 -0.206 19750 348 1 . 1 1 62 62 SER CA C 62 59.620 59.620 60.460 -0.840 19750 349 1 . 1 1 62 62 SER CB C 62 63.130 63.130 63.665 -0.535 19750 350 1 . 1 1 62 62 SER H H 62 7.893 7.893 7.577 0.316 19750 351 1 . 1 1 63 63 GLN N N 63 120.400 120.400 120.961 -0.561 19750 352 1 . 1 1 63 63 GLN C C 63 176.070 176.070 175.020 1.050 19750 353 1 . 1 1 63 63 GLN CA C 63 55.790 55.790 55.331 0.459 19750 354 1 . 1 1 63 63 GLN CB C 63 28.700 28.700 27.844 0.856 19750 355 1 . 1 1 63 63 GLN H H 63 7.824 7.824 8.062 -0.238 19750 356 1 . 1 1 64 64 ASN N N 64 119.180 119.180 122.370 -3.190 19750 357 1 . 1 1 64 64 ASN HA H 64 4.695 4.695 4.756 -0.061 19750 358 1 . 1 1 64 64 ASN C C 64 175.300 175.300 174.920 0.380 19750 359 1 . 1 1 64 64 ASN CA C 64 53.280 53.280 53.085 0.195 19750 360 1 . 1 1 64 64 ASN CB C 64 38.340 38.340 39.764 -1.424 19750 361 1 . 1 1 64 64 ASN H H 64 8.059 8.059 8.249 -0.190 19750 362 1 . 1 1 65 65 GLN N N 65 120.740 120.740 122.316 -1.576 19750 363 1 . 1 1 65 65 GLN HA H 65 4.320 4.320 4.623 -0.303 19750 364 1 . 1 1 65 65 GLN C C 65 175.890 175.890 174.804 1.086 19750 365 1 . 1 1 65 65 GLN CA C 65 55.700 55.700 55.372 0.328 19750 366 1 . 1 1 65 65 GLN CB C 65 28.530 28.530 30.693 -2.163 19750 367 1 . 1 1 65 65 GLN H H 65 8.144 8.144 8.519 -0.375 19750 368 1 . 1 1 66 66 GLN N N 66 121.070 121.070 121.593 -0.523 19750 369 1 . 1 1 66 66 GLN HA H 66 4.320 4.320 4.378 -0.058 19750 370 1 . 1 1 66 66 GLN C C 66 175.840 175.840 175.141 0.699 19750 371 1 . 1 1 66 66 GLN CA C 66 55.610 55.610 56.206 -0.596 19750 372 1 . 1 1 66 66 GLN CB C 66 28.670 28.670 30.205 -1.535 19750 373 1 . 1 1 66 66 GLN H H 66 8.199 8.199 8.702 -0.502 19750 374 1 . 1 1 67 67 GLU N N 67 122.320 122.320 121.347 0.973 19750 375 1 . 1 1 67 67 GLU C C 67 175.200 175.200 175.364 -0.164 19750 376 1 . 1 1 67 67 GLU CA C 67 55.650 55.650 56.484 -0.834 19750 377 1 . 1 1 67 67 GLU CB C 67 28.410 28.410 30.195 -1.785 19750 378 1 . 1 1 67 67 GLU H H 67 8.194 8.194 8.490 -0.296 19750 stop_ save_