data_18952 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18952 _Entry.PDB_ID 2M3B 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 18952 _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 GLU N N 2 121.800 121.800 121.193 0.607 18952 2 1 1 . 1 1 2 2 GLU H H 2 9.240 9.240 8.733 0.507 18952 3 1 1 . 1 1 3 3 LYS N N 3 120.200 120.200 120.005 0.195 18952 4 1 1 . 1 1 3 3 LYS H H 3 8.270 8.270 8.381 -0.111 18952 5 1 1 . 1 1 4 4 VAL N N 4 117.600 117.600 120.423 -2.823 18952 6 1 1 . 1 1 4 4 VAL H H 4 7.750 7.750 7.893 -0.143 18952 7 1 1 . 1 1 5 5 GLN N N 5 120.800 120.800 119.168 1.632 18952 8 1 1 . 1 1 5 5 GLN H H 5 8.190 8.190 8.495 -0.305 18952 9 1 1 . 1 1 6 6 TYR N N 6 119.300 119.300 122.157 -2.857 18952 10 1 1 . 1 1 6 6 TYR H H 6 8.020 8.020 8.422 -0.402 18952 11 1 1 . 1 1 7 7 LEU N N 7 120.400 120.400 119.826 0.574 18952 12 1 1 . 1 1 7 7 LEU H H 7 8.110 8.110 8.557 -0.447 18952 13 1 1 . 1 1 8 8 THR N N 8 111.200 111.200 116.326 -5.126 18952 14 1 1 . 1 1 8 8 THR H H 8 7.890 7.890 8.464 -0.574 18952 15 1 1 . 1 1 9 9 ARG N N 9 120.700 120.700 121.629 -0.929 18952 16 1 1 . 1 1 9 9 ARG H H 9 8.220 8.220 8.199 0.021 18952 17 1 1 . 1 1 10 10 SER N N 10 114.500 114.500 115.170 -0.670 18952 18 1 1 . 1 1 10 10 SER H H 10 7.990 7.990 8.150 -0.160 18952 19 1 1 . 1 1 11 11 ALA N N 11 124.000 124.000 124.857 -0.857 18952 20 1 1 . 1 1 11 11 ALA H H 11 8.060 8.060 8.150 -0.090 18952 21 1 1 . 1 1 12 12 ILE N N 12 115.900 115.900 118.800 -2.900 18952 22 1 1 . 1 1 12 12 ILE H H 12 7.780 7.780 7.994 -0.214 18952 23 1 1 . 1 1 13 13 ARG N N 13 121.100 121.100 119.874 1.226 18952 24 1 1 . 1 1 13 13 ARG H H 13 7.910 7.910 8.164 -0.254 18952 25 1 1 . 1 1 14 14 ARG N N 14 120.270 120.270 118.598 1.672 18952 26 1 1 . 1 1 14 14 ARG H H 14 8.060 8.060 7.989 0.071 18952 27 1 1 . 1 1 18 18 ILE N N 18 122.100 122.100 125.083 -2.983 18952 28 1 1 . 1 1 18 18 ILE H H 18 7.720 7.720 8.411 -0.691 18952 29 1 1 . 1 1 19 19 GLU N N 19 124.800 124.800 125.610 -0.810 18952 30 1 1 . 1 1 19 19 GLU H H 19 8.250 8.250 8.411 -0.161 18952 31 1 1 . 1 1 20 20 MET N N 20 122.700 122.700 121.084 1.616 18952 32 1 1 . 1 1 20 20 MET H H 20 8.480 8.480 8.696 -0.216 18952 33 1 1 . 1 1 22 22 GLN N N 22 121.600 121.600 117.866 3.734 18952 34 1 1 . 1 1 22 22 GLN H H 22 8.710 8.710 8.493 0.217 18952 35 1 1 . 1 1 23 23 GLN N N 23 119.000 119.000 117.736 1.264 18952 36 1 1 . 1 1 23 23 GLN H H 23 8.620 8.620 8.295 0.325 18952 37 1 1 . 1 1 24 24 ALA N N 24 122.400 122.400 124.304 -1.904 18952 38 1 1 . 1 1 24 24 ALA H H 24 7.840 7.840 7.519 0.321 18952 39 1 1 . 1 1 26 26 GLN N N 26 118.340 118.340 118.314 0.026 18952 40 1 1 . 1 1 26 26 GLN H H 26 8.780 8.780 8.018 0.762 18952 41 1 1 . 1 1 27 27 ASN N N 27 117.920 117.920 118.801 -0.881 18952 42 1 1 . 1 1 27 27 ASN H H 27 8.000 8.000 7.962 0.038 18952 43 1 1 . 1 1 28 28 LEU N N 28 121.400 121.400 120.075 1.325 18952 44 1 1 . 1 1 28 28 LEU H H 28 8.210 8.210 8.341 -0.131 18952 45 1 1 . 1 1 29 29 GLN N N 29 117.930 117.930 119.295 -1.365 18952 46 1 1 . 1 1 29 29 GLN H H 29 8.130 8.130 7.892 0.238 18952 47 1 1 . 1 1 30 30 ASN N N 30 117.040 117.040 119.324 -2.284 18952 48 1 1 . 1 1 30 30 ASN H H 30 8.100 8.100 8.198 -0.098 18952 49 1 1 . 1 1 31 31 LEU N N 31 121.200 121.200 120.918 0.282 18952 50 1 1 . 1 1 31 31 LEU H H 31 8.060 8.060 7.955 0.105 18952 51 1 1 . 1 1 32 32 PHE N N 32 118.310 118.310 117.349 0.961 18952 52 1 1 . 1 1 32 32 PHE H H 32 8.450 8.450 7.711 0.739 18952 53 1 1 . 1 1 33 33 ILE N N 33 119.700 119.700 119.907 -0.207 18952 54 1 1 . 1 1 33 33 ILE H H 33 8.420 8.420 8.806 -0.386 18952 55 1 1 . 1 1 34 34 ASN N N 34 117.580 117.580 118.167 -0.587 18952 56 1 1 . 1 1 34 34 ASN H H 34 8.030 8.030 8.014 0.016 18952 57 1 1 . 1 1 35 35 PHE N N 35 119.400 119.400 121.383 -1.983 18952 58 1 1 . 1 1 35 35 PHE H H 35 8.570 8.570 7.808 0.762 18952 59 1 1 . 1 1 36 36 CYS N N 36 116.680 116.680 118.547 -1.867 18952 60 1 1 . 1 1 36 36 CYS H H 36 8.160 8.160 8.010 0.150 18952 61 1 1 . 1 1 37 37 LEU N N 37 118.190 118.190 121.087 -2.897 18952 62 1 1 . 1 1 37 37 LEU H H 37 8.170 8.170 8.475 -0.305 18952 63 1 1 . 1 1 38 38 ILE N N 38 119.700 119.700 119.241 0.459 18952 64 1 1 . 1 1 38 38 ILE H H 38 8.390 8.390 8.501 -0.111 18952 65 1 1 . 1 1 39 39 LEU N N 39 119.400 119.400 120.076 -0.676 18952 66 1 1 . 1 1 39 39 LEU H H 39 7.990 7.990 7.599 0.391 18952 67 1 1 . 1 1 40 40 ILE N N 40 119.250 119.250 119.719 -0.469 18952 68 1 1 . 1 1 40 40 ILE H H 40 8.140 8.140 8.204 -0.064 18952 69 1 1 . 1 1 41 41 CYS N N 41 117.800 117.800 118.715 -0.915 18952 70 1 1 . 1 1 41 41 CYS H H 41 7.980 7.980 8.522 -0.542 18952 71 1 1 . 1 1 42 42 LEU N N 42 117.900 117.900 119.985 -2.085 18952 72 1 1 . 1 1 42 42 LEU H H 42 8.290 8.290 8.209 0.081 18952 73 1 1 . 1 1 43 43 LEU N N 43 119.700 119.700 119.995 -0.295 18952 74 1 1 . 1 1 43 43 LEU H H 43 8.390 8.390 7.990 0.400 18952 75 1 1 . 1 1 44 44 LEU N N 44 117.800 117.800 120.536 -2.736 18952 76 1 1 . 1 1 44 44 LEU H H 44 8.180 8.180 8.093 0.087 18952 77 1 1 . 1 1 45 45 ILE N N 45 117.690 117.690 120.604 -2.914 18952 78 1 1 . 1 1 45 45 ILE H H 45 8.170 8.170 8.022 0.148 18952 79 1 1 . 1 1 46 46 CYS N N 46 117.020 117.020 118.367 -1.347 18952 80 1 1 . 1 1 46 46 CYS H H 46 8.150 8.150 7.711 0.439 18952 81 1 1 . 1 1 47 47 ILE N N 47 117.300 117.300 121.035 -3.735 18952 82 1 1 . 1 1 47 47 ILE H H 47 8.230 8.230 7.610 0.620 18952 83 1 1 . 1 1 48 48 ILE N N 48 117.690 117.690 120.642 -2.952 18952 84 1 1 . 1 1 48 48 ILE H H 48 8.200 8.200 8.404 -0.204 18952 85 1 1 . 1 1 49 49 VAL N N 49 115.700 115.700 120.298 -4.598 18952 86 1 1 . 1 1 49 49 VAL H H 49 8.340 8.340 8.387 -0.047 18952 87 1 1 . 1 1 50 50 MET N N 50 115.500 115.500 118.062 -2.562 18952 88 1 1 . 1 1 50 50 MET H H 50 7.920 7.920 8.051 -0.131 18952 89 1 1 . 1 1 51 51 LEU N N 51 118.100 118.100 119.481 -1.381 18952 90 1 1 . 1 1 51 51 LEU H H 51 7.880 7.880 8.033 -0.153 18952 91 1 2 . 1 1 2 2 GLU N N 2 121.800 121.800 121.240 0.560 18952 92 1 2 . 1 1 2 2 GLU H H 2 9.240 9.240 8.730 0.510 18952 93 1 2 . 1 1 3 3 LYS N N 3 120.200 120.200 119.255 0.945 18952 94 1 2 . 1 1 3 3 LYS H H 3 8.270 8.270 8.372 -0.102 18952 95 1 2 . 1 1 4 4 VAL N N 4 117.600 117.600 120.393 -2.793 18952 96 1 2 . 1 1 4 4 VAL H H 4 7.750 7.750 7.898 -0.148 18952 97 1 2 . 1 1 5 5 GLN N N 5 120.800 120.800 119.166 1.634 18952 98 1 2 . 1 1 5 5 GLN H H 5 8.190 8.190 8.542 -0.352 18952 99 1 2 . 1 1 6 6 TYR N N 6 119.300 119.300 122.501 -3.201 18952 100 1 2 . 1 1 6 6 TYR H H 6 8.020 8.020 8.395 -0.375 18952 101 1 2 . 1 1 7 7 LEU N N 7 120.400 120.400 119.711 0.689 18952 102 1 2 . 1 1 7 7 LEU H H 7 8.110 8.110 8.440 -0.330 18952 103 1 2 . 1 1 8 8 THR N N 8 111.200 111.200 116.006 -4.806 18952 104 1 2 . 1 1 8 8 THR H H 8 7.890 7.890 8.289 -0.399 18952 105 1 2 . 1 1 9 9 ARG N N 9 120.700 120.700 121.630 -0.930 18952 106 1 2 . 1 1 9 9 ARG H H 9 8.220 8.220 8.280 -0.060 18952 107 1 2 . 1 1 10 10 SER N N 10 114.500 114.500 115.239 -0.739 18952 108 1 2 . 1 1 10 10 SER H H 10 7.990 7.990 8.150 -0.160 18952 109 1 2 . 1 1 11 11 ALA N N 11 124.000 124.000 124.676 -0.676 18952 110 1 2 . 1 1 11 11 ALA H H 11 8.060 8.060 7.943 0.117 18952 111 1 2 . 1 1 12 12 ILE N N 12 115.900 115.900 118.333 -2.433 18952 112 1 2 . 1 1 12 12 ILE H H 12 7.780 7.780 8.023 -0.243 18952 113 1 2 . 1 1 13 13 ARG N N 13 121.100 121.100 120.316 0.784 18952 114 1 2 . 1 1 13 13 ARG H H 13 7.910 7.910 8.194 -0.284 18952 115 1 2 . 1 1 14 14 ARG N N 14 120.270 120.270 117.654 2.616 18952 116 1 2 . 1 1 14 14 ARG H H 14 8.060 8.060 7.917 0.143 18952 117 1 2 . 1 1 18 18 ILE N N 18 122.100 122.100 121.295 0.805 18952 118 1 2 . 1 1 18 18 ILE H H 18 7.720 7.720 8.068 -0.348 18952 119 1 2 . 1 1 19 19 GLU N N 19 124.800 124.800 126.869 -2.069 18952 120 1 2 . 1 1 19 19 GLU H H 19 8.250 8.250 8.763 -0.513 18952 121 1 2 . 1 1 20 20 MET N N 20 122.700 122.700 121.281 1.419 18952 122 1 2 . 1 1 20 20 MET H H 20 8.480 8.480 7.891 0.589 18952 123 1 2 . 1 1 22 22 GLN N N 22 121.600 121.600 124.557 -2.957 18952 124 1 2 . 1 1 22 22 GLN H H 22 8.710 8.710 8.664 0.046 18952 125 1 2 . 1 1 23 23 GLN N N 23 119.000 119.000 118.579 0.421 18952 126 1 2 . 1 1 23 23 GLN H H 23 8.620 8.620 8.273 0.347 18952 127 1 2 . 1 1 24 24 ALA N N 24 122.400 122.400 122.784 -0.384 18952 128 1 2 . 1 1 24 24 ALA H H 24 7.840 7.840 7.625 0.215 18952 129 1 2 . 1 1 26 26 GLN N N 26 118.340 118.340 117.859 0.481 18952 130 1 2 . 1 1 26 26 GLN H H 26 8.780 8.780 8.207 0.573 18952 131 1 2 . 1 1 27 27 ASN N N 27 117.920 117.920 117.060 0.860 18952 132 1 2 . 1 1 27 27 ASN H H 27 8.000 8.000 7.845 0.155 18952 133 1 2 . 1 1 28 28 LEU N N 28 121.400 121.400 120.789 0.611 18952 134 1 2 . 1 1 28 28 LEU H H 28 8.210 8.210 8.239 -0.029 18952 135 1 2 . 1 1 29 29 GLN N N 29 117.930 117.930 118.351 -0.421 18952 136 1 2 . 1 1 29 29 GLN H H 29 8.130 8.130 7.782 0.348 18952 137 1 2 . 1 1 30 30 ASN N N 30 117.040 117.040 117.476 -0.436 18952 138 1 2 . 1 1 30 30 ASN H H 30 8.100 8.100 7.420 0.680 18952 139 1 2 . 1 1 31 31 LEU N N 31 121.200 121.200 121.477 -0.277 18952 140 1 2 . 1 1 31 31 LEU H H 31 8.060 8.060 7.183 0.877 18952 141 1 2 . 1 1 32 32 PHE N N 32 118.310 118.310 118.024 0.286 18952 142 1 2 . 1 1 32 32 PHE H H 32 8.450 8.450 6.945 1.505 18952 143 1 2 . 1 1 33 33 ILE N N 33 119.700 119.700 119.582 0.118 18952 144 1 2 . 1 1 33 33 ILE H H 33 8.420 8.420 8.519 -0.099 18952 145 1 2 . 1 1 34 34 ASN N N 34 117.580 117.580 118.721 -1.141 18952 146 1 2 . 1 1 34 34 ASN H H 34 8.030 8.030 8.401 -0.371 18952 147 1 2 . 1 1 35 35 PHE N N 35 119.400 119.400 121.994 -2.594 18952 148 1 2 . 1 1 35 35 PHE H H 35 8.570 8.570 8.426 0.144 18952 149 1 2 . 1 1 36 36 CYS N N 36 116.680 116.680 118.432 -1.752 18952 150 1 2 . 1 1 36 36 CYS H H 36 8.160 8.160 7.766 0.394 18952 151 1 2 . 1 1 37 37 LEU N N 37 118.190 118.190 120.997 -2.807 18952 152 1 2 . 1 1 37 37 LEU H H 37 8.170 8.170 7.905 0.265 18952 153 1 2 . 1 1 38 38 ILE N N 38 119.700 119.700 119.485 0.215 18952 154 1 2 . 1 1 38 38 ILE H H 38 8.390 8.390 8.579 -0.189 18952 155 1 2 . 1 1 39 39 LEU N N 39 119.400 119.400 120.368 -0.968 18952 156 1 2 . 1 1 39 39 LEU H H 39 7.990 7.990 7.663 0.327 18952 157 1 2 . 1 1 40 40 ILE N N 40 119.250 119.250 119.791 -0.541 18952 158 1 2 . 1 1 40 40 ILE H H 40 8.140 8.140 8.273 -0.133 18952 159 1 2 . 1 1 41 41 CYS N N 41 117.800 117.800 118.881 -1.081 18952 160 1 2 . 1 1 41 41 CYS H H 41 7.980 7.980 8.396 -0.416 18952 161 1 2 . 1 1 42 42 LEU N N 42 117.900 117.900 119.997 -2.097 18952 162 1 2 . 1 1 42 42 LEU H H 42 8.290 8.290 8.394 -0.104 18952 163 1 2 . 1 1 43 43 LEU N N 43 119.700 119.700 119.016 0.684 18952 164 1 2 . 1 1 43 43 LEU H H 43 8.390 8.390 7.941 0.449 18952 165 1 2 . 1 1 44 44 LEU N N 44 117.800 117.800 121.242 -3.442 18952 166 1 2 . 1 1 44 44 LEU H H 44 8.180 8.180 8.067 0.113 18952 167 1 2 . 1 1 45 45 ILE N N 45 117.690 117.690 120.245 -2.555 18952 168 1 2 . 1 1 45 45 ILE H H 45 8.170 8.170 7.771 0.399 18952 169 1 2 . 1 1 46 46 CYS N N 46 117.020 117.020 118.350 -1.330 18952 170 1 2 . 1 1 46 46 CYS H H 46 8.150 8.150 7.515 0.635 18952 171 1 2 . 1 1 47 47 ILE N N 47 117.300 117.300 121.259 -3.959 18952 172 1 2 . 1 1 47 47 ILE H H 47 8.230 8.230 7.926 0.304 18952 173 1 2 . 1 1 48 48 ILE N N 48 117.690 117.690 120.373 -2.683 18952 174 1 2 . 1 1 48 48 ILE H H 48 8.200 8.200 8.212 -0.012 18952 175 1 2 . 1 1 49 49 VAL N N 49 115.700 115.700 120.496 -4.796 18952 176 1 2 . 1 1 49 49 VAL H H 49 8.340 8.340 8.315 0.025 18952 177 1 2 . 1 1 50 50 MET N N 50 115.500 115.500 117.568 -2.068 18952 178 1 2 . 1 1 50 50 MET H H 50 7.920 7.920 8.266 -0.346 18952 179 1 2 . 1 1 51 51 LEU N N 51 118.100 118.100 119.866 -1.766 18952 180 1 2 . 1 1 51 51 LEU H H 51 7.880 7.880 7.698 0.182 18952 181 1 3 . 1 1 2 2 GLU N N 2 121.800 121.800 122.791 -0.991 18952 182 1 3 . 1 1 2 2 GLU H H 2 9.240 9.240 8.926 0.314 18952 183 1 3 . 1 1 3 3 LYS N N 3 120.200 120.200 119.910 0.290 18952 184 1 3 . 1 1 3 3 LYS H H 3 8.270 8.270 8.362 -0.092 18952 185 1 3 . 1 1 4 4 VAL N N 4 117.600 117.600 120.622 -3.022 18952 186 1 3 . 1 1 4 4 VAL H H 4 7.750 7.750 7.877 -0.127 18952 187 1 3 . 1 1 5 5 GLN N N 5 120.800 120.800 118.978 1.822 18952 188 1 3 . 1 1 5 5 GLN H H 5 8.190 8.190 8.579 -0.389 18952 189 1 3 . 1 1 6 6 TYR N N 6 119.300 119.300 121.861 -2.561 18952 190 1 3 . 1 1 6 6 TYR H H 6 8.020 8.020 8.273 -0.253 18952 191 1 3 . 1 1 7 7 LEU N N 7 120.400 120.400 120.037 0.363 18952 192 1 3 . 1 1 7 7 LEU H H 7 8.110 8.110 8.447 -0.337 18952 193 1 3 . 1 1 8 8 THR N N 8 111.200 111.200 115.989 -4.789 18952 194 1 3 . 1 1 8 8 THR H H 8 7.890 7.890 8.580 -0.690 18952 195 1 3 . 1 1 9 9 ARG N N 9 120.700 120.700 121.648 -0.948 18952 196 1 3 . 1 1 9 9 ARG H H 9 8.220 8.220 8.064 0.156 18952 197 1 3 . 1 1 10 10 SER N N 10 114.500 114.500 115.020 -0.520 18952 198 1 3 . 1 1 10 10 SER H H 10 7.990 7.990 8.125 -0.135 18952 199 1 3 . 1 1 11 11 ALA N N 11 124.000 124.000 124.923 -0.923 18952 200 1 3 . 1 1 11 11 ALA H H 11 8.060 8.060 8.183 -0.123 18952 201 1 3 . 1 1 12 12 ILE N N 12 115.900 115.900 118.567 -2.667 18952 202 1 3 . 1 1 12 12 ILE H H 12 7.780 7.780 8.029 -0.249 18952 203 1 3 . 1 1 13 13 ARG N N 13 121.100 121.100 119.030 2.070 18952 204 1 3 . 1 1 13 13 ARG H H 13 7.910 7.910 7.842 0.068 18952 205 1 3 . 1 1 14 14 ARG N N 14 120.270 120.270 118.248 2.022 18952 206 1 3 . 1 1 14 14 ARG H H 14 8.060 8.060 7.913 0.147 18952 207 1 3 . 1 1 18 18 ILE N N 18 122.100 122.100 119.901 2.199 18952 208 1 3 . 1 1 18 18 ILE H H 18 7.720 7.720 8.244 -0.524 18952 209 1 3 . 1 1 19 19 GLU N N 19 124.800 124.800 123.348 1.452 18952 210 1 3 . 1 1 19 19 GLU H H 19 8.250 8.250 8.504 -0.254 18952 211 1 3 . 1 1 20 20 MET N N 20 122.700 122.700 118.770 3.930 18952 212 1 3 . 1 1 20 20 MET H H 20 8.480 8.480 7.690 0.790 18952 213 1 3 . 1 1 22 22 GLN N N 22 121.600 121.600 114.848 6.752 18952 214 1 3 . 1 1 22 22 GLN H H 22 8.710 8.710 8.382 0.328 18952 215 1 3 . 1 1 23 23 GLN N N 23 119.000 119.000 119.859 -0.859 18952 216 1 3 . 1 1 23 23 GLN H H 23 8.620 8.620 8.030 0.590 18952 217 1 3 . 1 1 24 24 ALA N N 24 122.400 122.400 119.680 2.720 18952 218 1 3 . 1 1 24 24 ALA H H 24 7.840 7.840 7.495 0.345 18952 219 1 3 . 1 1 26 26 GLN N N 26 118.340 118.340 120.973 -2.633 18952 220 1 3 . 1 1 26 26 GLN H H 26 8.780 8.780 8.872 -0.092 18952 221 1 3 . 1 1 27 27 ASN N N 27 117.920 117.920 117.883 0.037 18952 222 1 3 . 1 1 27 27 ASN H H 27 8.000 8.000 8.230 -0.230 18952 223 1 3 . 1 1 28 28 LEU N N 28 121.400 121.400 119.936 1.464 18952 224 1 3 . 1 1 28 28 LEU H H 28 8.210 8.210 8.105 0.105 18952 225 1 3 . 1 1 29 29 GLN N N 29 117.930 117.930 119.173 -1.243 18952 226 1 3 . 1 1 29 29 GLN H H 29 8.130 8.130 8.124 0.006 18952 227 1 3 . 1 1 30 30 ASN N N 30 117.040 117.040 118.859 -1.819 18952 228 1 3 . 1 1 30 30 ASN H H 30 8.100 8.100 7.566 0.534 18952 229 1 3 . 1 1 31 31 LEU N N 31 121.200 121.200 120.948 0.252 18952 230 1 3 . 1 1 31 31 LEU H H 31 8.060 8.060 7.148 0.912 18952 231 1 3 . 1 1 32 32 PHE N N 32 118.310 118.310 118.199 0.111 18952 232 1 3 . 1 1 32 32 PHE H H 32 8.450 8.450 7.338 1.112 18952 233 1 3 . 1 1 33 33 ILE N N 33 119.700 119.700 119.705 -0.005 18952 234 1 3 . 1 1 33 33 ILE H H 33 8.420 8.420 8.756 -0.336 18952 235 1 3 . 1 1 34 34 ASN N N 34 117.580 117.580 118.463 -0.883 18952 236 1 3 . 1 1 34 34 ASN H H 34 8.030 8.030 8.279 -0.249 18952 237 1 3 . 1 1 35 35 PHE N N 35 119.400 119.400 121.546 -2.146 18952 238 1 3 . 1 1 35 35 PHE H H 35 8.570 8.570 8.040 0.530 18952 239 1 3 . 1 1 36 36 CYS N N 36 116.680 116.680 118.329 -1.649 18952 240 1 3 . 1 1 36 36 CYS H H 36 8.160 8.160 8.084 0.076 18952 241 1 3 . 1 1 37 37 LEU N N 37 118.190 118.190 121.481 -3.291 18952 242 1 3 . 1 1 37 37 LEU H H 37 8.170 8.170 8.539 -0.369 18952 243 1 3 . 1 1 38 38 ILE N N 38 119.700 119.700 119.393 0.307 18952 244 1 3 . 1 1 38 38 ILE H H 38 8.390 8.390 8.404 -0.014 18952 245 1 3 . 1 1 39 39 LEU N N 39 119.400 119.400 120.202 -0.802 18952 246 1 3 . 1 1 39 39 LEU H H 39 7.990 7.990 7.593 0.397 18952 247 1 3 . 1 1 40 40 ILE N N 40 119.250 119.250 118.893 0.357 18952 248 1 3 . 1 1 40 40 ILE H H 40 8.140 8.140 7.939 0.201 18952 249 1 3 . 1 1 41 41 CYS N N 41 117.800 117.800 118.697 -0.897 18952 250 1 3 . 1 1 41 41 CYS H H 41 7.980 7.980 8.357 -0.377 18952 251 1 3 . 1 1 42 42 LEU N N 42 117.900 117.900 120.011 -2.111 18952 252 1 3 . 1 1 42 42 LEU H H 42 8.290 8.290 8.189 0.101 18952 253 1 3 . 1 1 43 43 LEU N N 43 119.700 119.700 119.996 -0.296 18952 254 1 3 . 1 1 43 43 LEU H H 43 8.390 8.390 8.078 0.312 18952 255 1 3 . 1 1 44 44 LEU N N 44 117.800 117.800 120.447 -2.647 18952 256 1 3 . 1 1 44 44 LEU H H 44 8.180 8.180 8.304 -0.124 18952 257 1 3 . 1 1 45 45 ILE N N 45 117.690 117.690 119.858 -2.168 18952 258 1 3 . 1 1 45 45 ILE H H 45 8.170 8.170 7.582 0.588 18952 259 1 3 . 1 1 46 46 CYS N N 46 117.020 117.020 118.454 -1.434 18952 260 1 3 . 1 1 46 46 CYS H H 46 8.150 8.150 7.619 0.531 18952 261 1 3 . 1 1 47 47 ILE N N 47 117.300 117.300 121.277 -3.977 18952 262 1 3 . 1 1 47 47 ILE H H 47 8.230 8.230 7.983 0.247 18952 263 1 3 . 1 1 48 48 ILE N N 48 117.690 117.690 120.025 -2.335 18952 264 1 3 . 1 1 48 48 ILE H H 48 8.200 8.200 7.972 0.228 18952 265 1 3 . 1 1 49 49 VAL N N 49 115.700 115.700 119.017 -3.317 18952 266 1 3 . 1 1 49 49 VAL H H 49 8.340 8.340 8.115 0.225 18952 267 1 3 . 1 1 50 50 MET N N 50 115.500 115.500 118.075 -2.575 18952 268 1 3 . 1 1 50 50 MET H H 50 7.920 7.920 8.192 -0.272 18952 269 1 3 . 1 1 51 51 LEU N N 51 118.100 118.100 119.483 -1.383 18952 270 1 3 . 1 1 51 51 LEU H H 51 7.880 7.880 7.791 0.089 18952 271 1 4 . 1 1 2 2 GLU N N 2 121.800 121.800 122.782 -0.982 18952 272 1 4 . 1 1 2 2 GLU H H 2 9.240 9.240 8.928 0.312 18952 273 1 4 . 1 1 3 3 LYS N N 3 120.200 120.200 119.919 0.281 18952 274 1 4 . 1 1 3 3 LYS H H 3 8.270 8.270 8.365 -0.095 18952 275 1 4 . 1 1 4 4 VAL N N 4 117.600 117.600 120.642 -3.042 18952 276 1 4 . 1 1 4 4 VAL H H 4 7.750 7.750 7.871 -0.121 18952 277 1 4 . 1 1 5 5 GLN N N 5 120.800 120.800 118.927 1.873 18952 278 1 4 . 1 1 5 5 GLN H H 5 8.190 8.190 8.565 -0.375 18952 279 1 4 . 1 1 6 6 TYR N N 6 119.300 119.300 121.896 -2.596 18952 280 1 4 . 1 1 6 6 TYR H H 6 8.020 8.020 8.365 -0.345 18952 281 1 4 . 1 1 7 7 LEU N N 7 120.400 120.400 120.066 0.334 18952 282 1 4 . 1 1 7 7 LEU H H 7 8.110 8.110 8.519 -0.409 18952 283 1 4 . 1 1 8 8 THR N N 8 111.200 111.200 115.950 -4.750 18952 284 1 4 . 1 1 8 8 THR H H 8 7.890 7.890 8.544 -0.654 18952 285 1 4 . 1 1 9 9 ARG N N 9 120.700 120.700 121.587 -0.887 18952 286 1 4 . 1 1 9 9 ARG H H 9 8.220 8.220 7.931 0.289 18952 287 1 4 . 1 1 10 10 SER N N 10 114.500 114.500 115.103 -0.603 18952 288 1 4 . 1 1 10 10 SER H H 10 7.990 7.990 8.164 -0.174 18952 289 1 4 . 1 1 11 11 ALA N N 11 124.000 124.000 124.794 -0.794 18952 290 1 4 . 1 1 11 11 ALA H H 11 8.060 8.060 8.198 -0.138 18952 291 1 4 . 1 1 12 12 ILE N N 12 115.900 115.900 118.460 -2.560 18952 292 1 4 . 1 1 12 12 ILE H H 12 7.780 7.780 7.922 -0.142 18952 293 1 4 . 1 1 13 13 ARG N N 13 121.100 121.100 119.163 1.937 18952 294 1 4 . 1 1 13 13 ARG H H 13 7.910 7.910 7.908 0.002 18952 295 1 4 . 1 1 14 14 ARG N N 14 120.270 120.270 118.076 2.194 18952 296 1 4 . 1 1 14 14 ARG H H 14 8.060 8.060 8.010 0.050 18952 297 1 4 . 1 1 18 18 ILE N N 18 122.100 122.100 123.189 -1.089 18952 298 1 4 . 1 1 18 18 ILE H H 18 7.720 7.720 7.922 -0.202 18952 299 1 4 . 1 1 19 19 GLU N N 19 124.800 124.800 124.475 0.325 18952 300 1 4 . 1 1 19 19 GLU H H 19 8.250 8.250 8.550 -0.300 18952 301 1 4 . 1 1 20 20 MET N N 20 122.700 122.700 121.698 1.002 18952 302 1 4 . 1 1 20 20 MET H H 20 8.480 8.480 8.600 -0.120 18952 303 1 4 . 1 1 22 22 GLN N N 22 121.600 121.600 119.433 2.167 18952 304 1 4 . 1 1 22 22 GLN H H 22 8.710 8.710 8.357 0.353 18952 305 1 4 . 1 1 23 23 GLN N N 23 119.000 119.000 120.243 -1.243 18952 306 1 4 . 1 1 23 23 GLN H H 23 8.620 8.620 8.681 -0.061 18952 307 1 4 . 1 1 24 24 ALA N N 24 122.400 122.400 122.624 -0.224 18952 308 1 4 . 1 1 24 24 ALA H H 24 7.840 7.840 7.951 -0.111 18952 309 1 4 . 1 1 26 26 GLN N N 26 118.340 118.340 119.613 -1.273 18952 310 1 4 . 1 1 26 26 GLN H H 26 8.780 8.780 8.454 0.326 18952 311 1 4 . 1 1 27 27 ASN N N 27 117.920 117.920 118.347 -0.427 18952 312 1 4 . 1 1 27 27 ASN H H 27 8.000 8.000 7.730 0.270 18952 313 1 4 . 1 1 28 28 LEU N N 28 121.400 121.400 120.051 1.349 18952 314 1 4 . 1 1 28 28 LEU H H 28 8.210 8.210 7.428 0.781 18952 315 1 4 . 1 1 29 29 GLN N N 29 117.930 117.930 118.876 -0.946 18952 316 1 4 . 1 1 29 29 GLN H H 29 8.130 8.130 7.711 0.419 18952 317 1 4 . 1 1 30 30 ASN N N 30 117.040 117.040 119.239 -2.199 18952 318 1 4 . 1 1 30 30 ASN H H 30 8.100 8.100 7.860 0.240 18952 319 1 4 . 1 1 31 31 LEU N N 31 121.200 121.200 121.017 0.183 18952 320 1 4 . 1 1 31 31 LEU H H 31 8.060 8.060 8.083 -0.023 18952 321 1 4 . 1 1 32 32 PHE N N 32 118.310 118.310 117.745 0.565 18952 322 1 4 . 1 1 32 32 PHE H H 32 8.450 8.450 7.563 0.887 18952 323 1 4 . 1 1 33 33 ILE N N 33 119.700 119.700 119.841 -0.141 18952 324 1 4 . 1 1 33 33 ILE H H 33 8.420 8.420 8.646 -0.226 18952 325 1 4 . 1 1 34 34 ASN N N 34 117.580 117.580 118.101 -0.521 18952 326 1 4 . 1 1 34 34 ASN H H 34 8.030 8.030 7.951 0.079 18952 327 1 4 . 1 1 35 35 PHE N N 35 119.400 119.400 121.521 -2.121 18952 328 1 4 . 1 1 35 35 PHE H H 35 8.570 8.570 7.798 0.772 18952 329 1 4 . 1 1 36 36 CYS N N 36 116.680 116.680 118.523 -1.843 18952 330 1 4 . 1 1 36 36 CYS H H 36 8.160 8.160 7.956 0.204 18952 331 1 4 . 1 1 37 37 LEU N N 37 118.190 118.190 121.115 -2.925 18952 332 1 4 . 1 1 37 37 LEU H H 37 8.170 8.170 8.324 -0.154 18952 333 1 4 . 1 1 38 38 ILE N N 38 119.700 119.700 119.398 0.302 18952 334 1 4 . 1 1 38 38 ILE H H 38 8.390 8.390 8.533 -0.143 18952 335 1 4 . 1 1 39 39 LEU N N 39 119.400 119.400 120.246 -0.846 18952 336 1 4 . 1 1 39 39 LEU H H 39 7.990 7.990 7.593 0.397 18952 337 1 4 . 1 1 40 40 ILE N N 40 119.250 119.250 119.204 0.046 18952 338 1 4 . 1 1 40 40 ILE H H 40 8.140 8.140 8.247 -0.107 18952 339 1 4 . 1 1 41 41 CYS N N 41 117.800 117.800 118.787 -0.987 18952 340 1 4 . 1 1 41 41 CYS H H 41 7.980 7.980 8.402 -0.422 18952 341 1 4 . 1 1 42 42 LEU N N 42 117.900 117.900 119.676 -1.776 18952 342 1 4 . 1 1 42 42 LEU H H 42 8.290 8.290 8.103 0.187 18952 343 1 4 . 1 1 43 43 LEU N N 43 119.700 119.700 120.691 -0.991 18952 344 1 4 . 1 1 43 43 LEU H H 43 8.390 8.390 7.953 0.437 18952 345 1 4 . 1 1 44 44 LEU N N 44 117.800 117.800 120.724 -2.924 18952 346 1 4 . 1 1 44 44 LEU H H 44 8.180 8.180 8.330 -0.150 18952 347 1 4 . 1 1 45 45 ILE N N 45 117.690 117.690 119.792 -2.102 18952 348 1 4 . 1 1 45 45 ILE H H 45 8.170 8.170 7.562 0.608 18952 349 1 4 . 1 1 46 46 CYS N N 46 117.020 117.020 118.407 -1.387 18952 350 1 4 . 1 1 46 46 CYS H H 46 8.150 8.150 7.682 0.468 18952 351 1 4 . 1 1 47 47 ILE N N 47 117.300 117.300 121.573 -4.273 18952 352 1 4 . 1 1 47 47 ILE H H 47 8.230 8.230 8.284 -0.054 18952 353 1 4 . 1 1 48 48 ILE N N 48 117.690 117.690 120.192 -2.502 18952 354 1 4 . 1 1 48 48 ILE H H 48 8.200 8.200 8.064 0.136 18952 355 1 4 . 1 1 49 49 VAL N N 49 115.700 115.700 120.483 -4.783 18952 356 1 4 . 1 1 49 49 VAL H H 49 8.340 8.340 7.921 0.419 18952 357 1 4 . 1 1 50 50 MET N N 50 115.500 115.500 117.625 -2.125 18952 358 1 4 . 1 1 50 50 MET H H 50 7.920 7.920 8.323 -0.403 18952 359 1 4 . 1 1 51 51 LEU N N 51 118.100 118.100 120.202 -2.102 18952 360 1 4 . 1 1 51 51 LEU H H 51 7.880 7.880 7.901 -0.021 18952 361 1 5 . 1 1 2 2 GLU N N 2 121.800 121.800 121.189 0.611 18952 362 1 5 . 1 1 2 2 GLU H H 2 9.240 9.240 8.722 0.518 18952 363 1 5 . 1 1 3 3 LYS N N 3 120.200 120.200 119.273 0.927 18952 364 1 5 . 1 1 3 3 LYS H H 3 8.270 8.270 8.364 -0.094 18952 365 1 5 . 1 1 4 4 VAL N N 4 117.600 117.600 120.345 -2.745 18952 366 1 5 . 1 1 4 4 VAL H H 4 7.750 7.750 7.895 -0.145 18952 367 1 5 . 1 1 5 5 GLN N N 5 120.800 120.800 118.995 1.805 18952 368 1 5 . 1 1 5 5 GLN H H 5 8.190 8.190 8.509 -0.319 18952 369 1 5 . 1 1 6 6 TYR N N 6 119.300 119.300 122.709 -3.409 18952 370 1 5 . 1 1 6 6 TYR H H 6 8.020 8.020 8.448 -0.428 18952 371 1 5 . 1 1 7 7 LEU N N 7 120.400 120.400 119.564 0.836 18952 372 1 5 . 1 1 7 7 LEU H H 7 8.110 8.110 8.331 -0.221 18952 373 1 5 . 1 1 8 8 THR N N 8 111.200 111.200 115.918 -4.718 18952 374 1 5 . 1 1 8 8 THR H H 8 7.890 7.890 7.990 -0.100 18952 375 1 5 . 1 1 9 9 ARG N N 9 120.700 120.700 121.673 -0.973 18952 376 1 5 . 1 1 9 9 ARG H H 9 8.220 8.220 8.385 -0.165 18952 377 1 5 . 1 1 10 10 SER N N 10 114.500 114.500 115.187 -0.687 18952 378 1 5 . 1 1 10 10 SER H H 10 7.990 7.990 8.170 -0.180 18952 379 1 5 . 1 1 11 11 ALA N N 11 124.000 124.000 124.737 -0.737 18952 380 1 5 . 1 1 11 11 ALA H H 11 8.060 8.060 7.966 0.094 18952 381 1 5 . 1 1 12 12 ILE N N 12 115.900 115.900 118.759 -2.859 18952 382 1 5 . 1 1 12 12 ILE H H 12 7.780 7.780 7.889 -0.109 18952 383 1 5 . 1 1 13 13 ARG N N 13 121.100 121.100 120.041 1.059 18952 384 1 5 . 1 1 13 13 ARG H H 13 7.910 7.910 8.127 -0.217 18952 385 1 5 . 1 1 14 14 ARG N N 14 120.270 120.270 117.786 2.484 18952 386 1 5 . 1 1 14 14 ARG H H 14 8.060 8.060 7.803 0.257 18952 387 1 5 . 1 1 18 18 ILE N N 18 122.100 122.100 122.732 -0.632 18952 388 1 5 . 1 1 18 18 ILE H H 18 7.720 7.720 8.036 -0.316 18952 389 1 5 . 1 1 19 19 GLU N N 19 124.800 124.800 127.567 -2.767 18952 390 1 5 . 1 1 19 19 GLU H H 19 8.250 8.250 8.504 -0.254 18952 391 1 5 . 1 1 20 20 MET N N 20 122.700 122.700 122.505 0.195 18952 392 1 5 . 1 1 20 20 MET H H 20 8.480 8.480 8.420 0.060 18952 393 1 5 . 1 1 22 22 GLN N N 22 121.600 121.600 117.719 3.881 18952 394 1 5 . 1 1 22 22 GLN H H 22 8.710 8.710 8.605 0.105 18952 395 1 5 . 1 1 23 23 GLN N N 23 119.000 119.000 119.120 -0.120 18952 396 1 5 . 1 1 23 23 GLN H H 23 8.620 8.620 7.679 0.941 18952 397 1 5 . 1 1 24 24 ALA N N 24 122.400 122.400 119.164 3.236 18952 398 1 5 . 1 1 24 24 ALA H H 24 7.840 7.840 7.690 0.150 18952 399 1 5 . 1 1 26 26 GLN N N 26 118.340 118.340 116.847 1.493 18952 400 1 5 . 1 1 26 26 GLN H H 26 8.780 8.780 7.633 1.147 18952 401 1 5 . 1 1 27 27 ASN N N 27 117.920 117.920 117.435 0.485 18952 402 1 5 . 1 1 27 27 ASN H H 27 8.000 8.000 8.438 -0.438 18952 403 1 5 . 1 1 28 28 LEU N N 28 121.400 121.400 120.312 1.088 18952 404 1 5 . 1 1 28 28 LEU H H 28 8.210 8.210 7.791 0.419 18952 405 1 5 . 1 1 29 29 GLN N N 29 117.930 117.930 118.468 -0.538 18952 406 1 5 . 1 1 29 29 GLN H H 29 8.130 8.130 7.767 0.363 18952 407 1 5 . 1 1 30 30 ASN N N 30 117.040 117.040 118.197 -1.157 18952 408 1 5 . 1 1 30 30 ASN H H 30 8.100 8.100 7.324 0.776 18952 409 1 5 . 1 1 31 31 LEU N N 31 121.200 121.200 121.472 -0.272 18952 410 1 5 . 1 1 31 31 LEU H H 31 8.060 8.060 7.238 0.822 18952 411 1 5 . 1 1 32 32 PHE N N 32 118.310 118.310 118.078 0.232 18952 412 1 5 . 1 1 32 32 PHE H H 32 8.450 8.450 7.224 1.226 18952 413 1 5 . 1 1 33 33 ILE N N 33 119.700 119.700 119.880 -0.180 18952 414 1 5 . 1 1 33 33 ILE H H 33 8.420 8.420 8.681 -0.261 18952 415 1 5 . 1 1 34 34 ASN N N 34 117.580 117.580 118.293 -0.713 18952 416 1 5 . 1 1 34 34 ASN H H 34 8.030 8.030 8.378 -0.348 18952 417 1 5 . 1 1 35 35 PHE N N 35 119.400 119.400 121.384 -1.984 18952 418 1 5 . 1 1 35 35 PHE H H 35 8.570 8.570 8.280 0.290 18952 419 1 5 . 1 1 36 36 CYS N N 36 116.680 116.680 117.858 -1.178 18952 420 1 5 . 1 1 36 36 CYS H H 36 8.160 8.160 8.039 0.121 18952 421 1 5 . 1 1 37 37 LEU N N 37 118.190 118.190 121.492 -3.302 18952 422 1 5 . 1 1 37 37 LEU H H 37 8.170 8.170 7.773 0.397 18952 423 1 5 . 1 1 38 38 ILE N N 38 119.700 119.700 119.029 0.671 18952 424 1 5 . 1 1 38 38 ILE H H 38 8.390 8.390 8.229 0.161 18952 425 1 5 . 1 1 39 39 LEU N N 39 119.400 119.400 119.088 0.312 18952 426 1 5 . 1 1 39 39 LEU H H 39 7.990 7.990 7.656 0.334 18952 427 1 5 . 1 1 40 40 ILE N N 40 119.250 119.250 118.915 0.335 18952 428 1 5 . 1 1 40 40 ILE H H 40 8.140 8.140 8.209 -0.069 18952 429 1 5 . 1 1 41 41 CYS N N 41 117.800 117.800 118.584 -0.784 18952 430 1 5 . 1 1 41 41 CYS H H 41 7.980 7.980 8.082 -0.102 18952 431 1 5 . 1 1 42 42 LEU N N 42 117.900 117.900 119.922 -2.022 18952 432 1 5 . 1 1 42 42 LEU H H 42 8.290 8.290 8.025 0.265 18952 433 1 5 . 1 1 43 43 LEU N N 43 119.700 119.700 120.277 -0.577 18952 434 1 5 . 1 1 43 43 LEU H H 43 8.390 8.390 8.046 0.344 18952 435 1 5 . 1 1 44 44 LEU N N 44 117.800 117.800 120.498 -2.698 18952 436 1 5 . 1 1 44 44 LEU H H 44 8.180 8.180 8.346 -0.166 18952 437 1 5 . 1 1 45 45 ILE N N 45 117.690 117.690 120.189 -2.499 18952 438 1 5 . 1 1 45 45 ILE H H 45 8.170 8.170 7.660 0.510 18952 439 1 5 . 1 1 46 46 CYS N N 46 117.020 117.020 118.489 -1.469 18952 440 1 5 . 1 1 46 46 CYS H H 46 8.150 8.150 7.745 0.405 18952 441 1 5 . 1 1 47 47 ILE N N 47 117.300 117.300 121.204 -3.904 18952 442 1 5 . 1 1 47 47 ILE H H 47 8.230 8.230 7.853 0.377 18952 443 1 5 . 1 1 48 48 ILE N N 48 117.690 117.690 120.583 -2.893 18952 444 1 5 . 1 1 48 48 ILE H H 48 8.200 8.200 8.137 0.063 18952 445 1 5 . 1 1 49 49 VAL N N 49 115.700 115.700 120.314 -4.614 18952 446 1 5 . 1 1 49 49 VAL H H 49 8.340 8.340 8.390 -0.050 18952 447 1 5 . 1 1 50 50 MET N N 50 115.500 115.500 118.119 -2.619 18952 448 1 5 . 1 1 50 50 MET H H 50 7.920 7.920 8.094 -0.174 18952 449 1 5 . 1 1 51 51 LEU N N 51 118.100 118.100 118.252 -0.152 18952 450 1 5 . 1 1 51 51 LEU H H 51 7.880 7.880 7.843 0.037 18952 451 1 6 . 1 1 2 2 GLU N N 2 121.800 121.800 122.735 -0.935 18952 452 1 6 . 1 1 2 2 GLU H H 2 9.240 9.240 8.924 0.316 18952 453 1 6 . 1 1 3 3 LYS N N 3 120.200 120.200 119.853 0.347 18952 454 1 6 . 1 1 3 3 LYS H H 3 8.270 8.270 8.370 -0.100 18952 455 1 6 . 1 1 4 4 VAL N N 4 117.600 117.600 120.369 -2.769 18952 456 1 6 . 1 1 4 4 VAL H H 4 7.750 7.750 7.882 -0.132 18952 457 1 6 . 1 1 5 5 GLN N N 5 120.800 120.800 119.253 1.547 18952 458 1 6 . 1 1 5 5 GLN H H 5 8.190 8.190 8.544 -0.354 18952 459 1 6 . 1 1 6 6 TYR N N 6 119.300 119.300 122.272 -2.972 18952 460 1 6 . 1 1 6 6 TYR H H 6 8.020 8.020 8.422 -0.402 18952 461 1 6 . 1 1 7 7 LEU N N 7 120.400 120.400 119.852 0.548 18952 462 1 6 . 1 1 7 7 LEU H H 7 8.110 8.110 8.478 -0.368 18952 463 1 6 . 1 1 8 8 THR N N 8 111.200 111.200 115.983 -4.783 18952 464 1 6 . 1 1 8 8 THR H H 8 7.890 7.890 8.336 -0.446 18952 465 1 6 . 1 1 9 9 ARG N N 9 120.700 120.700 121.609 -0.909 18952 466 1 6 . 1 1 9 9 ARG H H 9 8.220 8.220 8.238 -0.018 18952 467 1 6 . 1 1 10 10 SER N N 10 114.500 114.500 115.207 -0.707 18952 468 1 6 . 1 1 10 10 SER H H 10 7.990 7.990 8.153 -0.163 18952 469 1 6 . 1 1 11 11 ALA N N 11 124.000 124.000 124.868 -0.868 18952 470 1 6 . 1 1 11 11 ALA H H 11 8.060 8.060 8.069 -0.009 18952 471 1 6 . 1 1 12 12 ILE N N 12 115.900 115.900 118.485 -2.585 18952 472 1 6 . 1 1 12 12 ILE H H 12 7.780 7.780 7.959 -0.179 18952 473 1 6 . 1 1 13 13 ARG N N 13 121.100 121.100 118.901 2.199 18952 474 1 6 . 1 1 13 13 ARG H H 13 7.910 7.910 8.024 -0.114 18952 475 1 6 . 1 1 14 14 ARG N N 14 120.270 120.270 119.673 0.597 18952 476 1 6 . 1 1 14 14 ARG H H 14 8.060 8.060 8.139 -0.079 18952 477 1 6 . 1 1 18 18 ILE N N 18 122.100 122.100 126.289 -4.189 18952 478 1 6 . 1 1 18 18 ILE H H 18 7.720 7.720 8.145 -0.425 18952 479 1 6 . 1 1 19 19 GLU N N 19 124.800 124.800 126.559 -1.759 18952 480 1 6 . 1 1 19 19 GLU H H 19 8.250 8.250 8.383 -0.133 18952 481 1 6 . 1 1 20 20 MET N N 20 122.700 122.700 118.125 4.575 18952 482 1 6 . 1 1 20 20 MET H H 20 8.480 8.480 8.442 0.038 18952 483 1 6 . 1 1 22 22 GLN N N 22 121.600 121.600 117.089 4.511 18952 484 1 6 . 1 1 22 22 GLN H H 22 8.710 8.710 7.782 0.928 18952 485 1 6 . 1 1 23 23 GLN N N 23 119.000 119.000 118.970 0.030 18952 486 1 6 . 1 1 23 23 GLN H H 23 8.620 8.620 8.382 0.238 18952 487 1 6 . 1 1 24 24 ALA N N 24 122.400 122.400 121.733 0.667 18952 488 1 6 . 1 1 24 24 ALA H H 24 7.840 7.840 7.800 0.040 18952 489 1 6 . 1 1 26 26 GLN N N 26 118.340 118.340 119.276 -0.936 18952 490 1 6 . 1 1 26 26 GLN H H 26 8.780 8.780 8.534 0.246 18952 491 1 6 . 1 1 27 27 ASN N N 27 117.920 117.920 118.844 -0.924 18952 492 1 6 . 1 1 27 27 ASN H H 27 8.000 8.000 8.094 -0.094 18952 493 1 6 . 1 1 28 28 LEU N N 28 121.400 121.400 119.968 1.432 18952 494 1 6 . 1 1 28 28 LEU H H 28 8.210 8.210 8.618 -0.408 18952 495 1 6 . 1 1 29 29 GLN N N 29 117.930 117.930 118.499 -0.569 18952 496 1 6 . 1 1 29 29 GLN H H 29 8.130 8.130 7.574 0.556 18952 497 1 6 . 1 1 30 30 ASN N N 30 117.040 117.040 119.264 -2.224 18952 498 1 6 . 1 1 30 30 ASN H H 30 8.100 8.100 7.926 0.174 18952 499 1 6 . 1 1 31 31 LEU N N 31 121.200 121.200 120.795 0.405 18952 500 1 6 . 1 1 31 31 LEU H H 31 8.060 8.060 7.705 0.355 18952 501 1 6 . 1 1 32 32 PHE N N 32 118.310 118.310 118.325 -0.015 18952 502 1 6 . 1 1 32 32 PHE H H 32 8.450 8.450 7.774 0.676 18952 503 1 6 . 1 1 33 33 ILE N N 33 119.700 119.700 119.587 0.113 18952 504 1 6 . 1 1 33 33 ILE H H 33 8.420 8.420 8.749 -0.329 18952 505 1 6 . 1 1 34 34 ASN N N 34 117.580 117.580 117.884 -0.304 18952 506 1 6 . 1 1 34 34 ASN H H 34 8.030 8.030 8.024 0.006 18952 507 1 6 . 1 1 35 35 PHE N N 35 119.400 119.400 121.993 -2.593 18952 508 1 6 . 1 1 35 35 PHE H H 35 8.570 8.570 7.762 0.808 18952 509 1 6 . 1 1 36 36 CYS N N 36 116.680 116.680 118.661 -1.981 18952 510 1 6 . 1 1 36 36 CYS H H 36 8.160 8.160 7.916 0.244 18952 511 1 6 . 1 1 37 37 LEU N N 37 118.190 118.190 121.312 -3.122 18952 512 1 6 . 1 1 37 37 LEU H H 37 8.170 8.170 8.439 -0.269 18952 513 1 6 . 1 1 38 38 ILE N N 38 119.700 119.700 119.726 -0.026 18952 514 1 6 . 1 1 38 38 ILE H H 38 8.390 8.390 8.440 -0.050 18952 515 1 6 . 1 1 39 39 LEU N N 39 119.400 119.400 120.048 -0.648 18952 516 1 6 . 1 1 39 39 LEU H H 39 7.990 7.990 7.838 0.152 18952 517 1 6 . 1 1 40 40 ILE N N 40 119.250 119.250 119.524 -0.274 18952 518 1 6 . 1 1 40 40 ILE H H 40 8.140 8.140 7.764 0.376 18952 519 1 6 . 1 1 41 41 CYS N N 41 117.800 117.800 118.777 -0.977 18952 520 1 6 . 1 1 41 41 CYS H H 41 7.980 7.980 8.465 -0.485 18952 521 1 6 . 1 1 42 42 LEU N N 42 117.900 117.900 119.682 -1.782 18952 522 1 6 . 1 1 42 42 LEU H H 42 8.290 8.290 8.190 0.100 18952 523 1 6 . 1 1 43 43 LEU N N 43 119.700 119.700 120.187 -0.487 18952 524 1 6 . 1 1 43 43 LEU H H 43 8.390 8.390 7.840 0.550 18952 525 1 6 . 1 1 44 44 LEU N N 44 117.800 117.800 120.438 -2.638 18952 526 1 6 . 1 1 44 44 LEU H H 44 8.180 8.180 8.228 -0.048 18952 527 1 6 . 1 1 45 45 ILE N N 45 117.690 117.690 119.887 -2.197 18952 528 1 6 . 1 1 45 45 ILE H H 45 8.170 8.170 7.656 0.514 18952 529 1 6 . 1 1 46 46 CYS N N 46 117.020 117.020 118.452 -1.432 18952 530 1 6 . 1 1 46 46 CYS H H 46 8.150 8.150 7.723 0.427 18952 531 1 6 . 1 1 47 47 ILE N N 47 117.300 117.300 121.431 -4.131 18952 532 1 6 . 1 1 47 47 ILE H H 47 8.230 8.230 8.061 0.169 18952 533 1 6 . 1 1 48 48 ILE N N 48 117.690 117.690 120.135 -2.445 18952 534 1 6 . 1 1 48 48 ILE H H 48 8.200 8.200 7.890 0.310 18952 535 1 6 . 1 1 49 49 VAL N N 49 115.700 115.700 120.488 -4.788 18952 536 1 6 . 1 1 49 49 VAL H H 49 8.340 8.340 8.025 0.315 18952 537 1 6 . 1 1 50 50 MET N N 50 115.500 115.500 117.751 -2.251 18952 538 1 6 . 1 1 50 50 MET H H 50 7.920 7.920 8.137 -0.217 18952 539 1 6 . 1 1 51 51 LEU N N 51 118.100 118.100 119.694 -1.594 18952 540 1 6 . 1 1 51 51 LEU H H 51 7.880 7.880 7.871 0.009 18952 541 1 7 . 1 1 2 2 GLU N N 2 121.800 121.800 122.791 -0.991 18952 542 1 7 . 1 1 2 2 GLU H H 2 9.240 9.240 8.916 0.324 18952 543 1 7 . 1 1 3 3 LYS N N 3 120.200 120.200 119.197 1.003 18952 544 1 7 . 1 1 3 3 LYS H H 3 8.270 8.270 8.366 -0.096 18952 545 1 7 . 1 1 4 4 VAL N N 4 117.600 117.600 120.439 -2.839 18952 546 1 7 . 1 1 4 4 VAL H H 4 7.750 7.750 7.889 -0.139 18952 547 1 7 . 1 1 5 5 GLN N N 5 120.800 120.800 119.161 1.639 18952 548 1 7 . 1 1 5 5 GLN H H 5 8.190 8.190 8.547 -0.357 18952 549 1 7 . 1 1 6 6 TYR N N 6 119.300 119.300 122.582 -3.282 18952 550 1 7 . 1 1 6 6 TYR H H 6 8.020 8.020 8.397 -0.377 18952 551 1 7 . 1 1 7 7 LEU N N 7 120.400 120.400 119.706 0.694 18952 552 1 7 . 1 1 7 7 LEU H H 7 8.110 8.110 8.415 -0.305 18952 553 1 7 . 1 1 8 8 THR N N 8 111.200 111.200 115.991 -4.791 18952 554 1 7 . 1 1 8 8 THR H H 8 7.890 7.890 8.190 -0.300 18952 555 1 7 . 1 1 9 9 ARG N N 9 120.700 120.700 121.656 -0.956 18952 556 1 7 . 1 1 9 9 ARG H H 9 8.220 8.220 8.325 -0.105 18952 557 1 7 . 1 1 10 10 SER N N 10 114.500 114.500 115.194 -0.694 18952 558 1 7 . 1 1 10 10 SER H H 10 7.990 7.990 8.170 -0.180 18952 559 1 7 . 1 1 11 11 ALA N N 11 124.000 124.000 124.790 -0.790 18952 560 1 7 . 1 1 11 11 ALA H H 11 8.060 8.060 8.009 0.051 18952 561 1 7 . 1 1 12 12 ILE N N 12 115.900 115.900 118.488 -2.588 18952 562 1 7 . 1 1 12 12 ILE H H 12 7.780 7.780 7.928 -0.148 18952 563 1 7 . 1 1 13 13 ARG N N 13 121.100 121.100 118.562 2.538 18952 564 1 7 . 1 1 13 13 ARG H H 13 7.910 7.910 8.021 -0.111 18952 565 1 7 . 1 1 14 14 ARG N N 14 120.270 120.270 118.604 1.666 18952 566 1 7 . 1 1 14 14 ARG H H 14 8.060 8.060 7.942 0.118 18952 567 1 7 . 1 1 18 18 ILE N N 18 122.100 122.100 124.590 -2.490 18952 568 1 7 . 1 1 18 18 ILE H H 18 7.720 7.720 8.267 -0.547 18952 569 1 7 . 1 1 19 19 GLU N N 19 124.800 124.800 127.845 -3.045 18952 570 1 7 . 1 1 19 19 GLU H H 19 8.250 8.250 8.852 -0.602 18952 571 1 7 . 1 1 20 20 MET N N 20 122.700 122.700 120.088 2.612 18952 572 1 7 . 1 1 20 20 MET H H 20 8.480 8.480 7.703 0.777 18952 573 1 7 . 1 1 22 22 GLN N N 22 121.600 121.600 122.484 -0.884 18952 574 1 7 . 1 1 22 22 GLN H H 22 8.710 8.710 8.826 -0.116 18952 575 1 7 . 1 1 23 23 GLN N N 23 119.000 119.000 118.329 0.671 18952 576 1 7 . 1 1 23 23 GLN H H 23 8.620 8.620 8.805 -0.185 18952 577 1 7 . 1 1 24 24 ALA N N 24 122.400 122.400 123.299 -0.899 18952 578 1 7 . 1 1 24 24 ALA H H 24 7.840 7.840 8.207 -0.367 18952 579 1 7 . 1 1 26 26 GLN N N 26 118.340 118.340 117.096 1.244 18952 580 1 7 . 1 1 26 26 GLN H H 26 8.780 8.780 8.457 0.323 18952 581 1 7 . 1 1 27 27 ASN N N 27 117.920 117.920 118.529 -0.609 18952 582 1 7 . 1 1 27 27 ASN H H 27 8.000 8.000 7.813 0.187 18952 583 1 7 . 1 1 28 28 LEU N N 28 121.400 121.400 121.039 0.361 18952 584 1 7 . 1 1 28 28 LEU H H 28 8.210 8.210 7.867 0.343 18952 585 1 7 . 1 1 29 29 GLN N N 29 117.930 117.930 117.353 0.577 18952 586 1 7 . 1 1 29 29 GLN H H 29 8.130 8.130 7.559 0.571 18952 587 1 7 . 1 1 30 30 ASN N N 30 117.040 117.040 119.673 -2.633 18952 588 1 7 . 1 1 30 30 ASN H H 30 8.100 8.100 7.979 0.121 18952 589 1 7 . 1 1 31 31 LEU N N 31 121.200 121.200 121.183 0.017 18952 590 1 7 . 1 1 31 31 LEU H H 31 8.060 8.060 7.747 0.313 18952 591 1 7 . 1 1 32 32 PHE N N 32 118.310 118.310 118.391 -0.081 18952 592 1 7 . 1 1 32 32 PHE H H 32 8.450 8.450 7.301 1.149 18952 593 1 7 . 1 1 33 33 ILE N N 33 119.700 119.700 119.961 -0.261 18952 594 1 7 . 1 1 33 33 ILE H H 33 8.420 8.420 8.856 -0.436 18952 595 1 7 . 1 1 34 34 ASN N N 34 117.580 117.580 118.278 -0.698 18952 596 1 7 . 1 1 34 34 ASN H H 34 8.030 8.030 7.865 0.165 18952 597 1 7 . 1 1 35 35 PHE N N 35 119.400 119.400 122.002 -2.602 18952 598 1 7 . 1 1 35 35 PHE H H 35 8.570 8.570 8.771 -0.201 18952 599 1 7 . 1 1 36 36 CYS N N 36 116.680 116.680 118.211 -1.531 18952 600 1 7 . 1 1 36 36 CYS H H 36 8.160 8.160 8.477 -0.317 18952 601 1 7 . 1 1 37 37 LEU N N 37 118.190 118.190 121.274 -3.084 18952 602 1 7 . 1 1 37 37 LEU H H 37 8.170 8.170 7.840 0.330 18952 603 1 7 . 1 1 38 38 ILE N N 38 119.700 119.700 120.044 -0.344 18952 604 1 7 . 1 1 38 38 ILE H H 38 8.390 8.390 8.595 -0.205 18952 605 1 7 . 1 1 39 39 LEU N N 39 119.400 119.400 120.114 -0.714 18952 606 1 7 . 1 1 39 39 LEU H H 39 7.990 7.990 8.073 -0.083 18952 607 1 7 . 1 1 40 40 ILE N N 40 119.250 119.250 119.512 -0.262 18952 608 1 7 . 1 1 40 40 ILE H H 40 8.140 8.140 7.666 0.474 18952 609 1 7 . 1 1 41 41 CYS N N 41 117.800 117.800 119.447 -1.647 18952 610 1 7 . 1 1 41 41 CYS H H 41 7.980 7.980 8.483 -0.503 18952 611 1 7 . 1 1 42 42 LEU N N 42 117.900 117.900 119.929 -2.029 18952 612 1 7 . 1 1 42 42 LEU H H 42 8.290 8.290 8.425 -0.135 18952 613 1 7 . 1 1 43 43 LEU N N 43 119.700 119.700 120.631 -0.931 18952 614 1 7 . 1 1 43 43 LEU H H 43 8.390 8.390 7.945 0.445 18952 615 1 7 . 1 1 44 44 LEU N N 44 117.800 117.800 120.000 -2.200 18952 616 1 7 . 1 1 44 44 LEU H H 44 8.180 8.180 8.558 -0.378 18952 617 1 7 . 1 1 45 45 ILE N N 45 117.690 117.690 119.398 -1.708 18952 618 1 7 . 1 1 45 45 ILE H H 45 8.170 8.170 7.923 0.247 18952 619 1 7 . 1 1 46 46 CYS N N 46 117.020 117.020 118.707 -1.687 18952 620 1 7 . 1 1 46 46 CYS H H 46 8.150 8.150 7.725 0.425 18952 621 1 7 . 1 1 47 47 ILE N N 47 117.300 117.300 121.398 -4.098 18952 622 1 7 . 1 1 47 47 ILE H H 47 8.230 8.230 8.463 -0.233 18952 623 1 7 . 1 1 48 48 ILE N N 48 117.690 117.690 120.342 -2.652 18952 624 1 7 . 1 1 48 48 ILE H H 48 8.200 8.200 8.185 0.015 18952 625 1 7 . 1 1 49 49 VAL N N 49 115.700 115.700 121.050 -5.350 18952 626 1 7 . 1 1 49 49 VAL H H 49 8.340 8.340 8.141 0.199 18952 627 1 7 . 1 1 50 50 MET N N 50 115.500 115.500 117.659 -2.159 18952 628 1 7 . 1 1 50 50 MET H H 50 7.920 7.920 8.120 -0.200 18952 629 1 7 . 1 1 51 51 LEU N N 51 118.100 118.100 120.116 -2.016 18952 630 1 7 . 1 1 51 51 LEU H H 51 7.880 7.880 7.822 0.058 18952 631 1 8 . 1 1 2 2 GLU N N 2 121.800 121.800 121.250 0.550 18952 632 1 8 . 1 1 2 2 GLU H H 2 9.240 9.240 8.734 0.506 18952 633 1 8 . 1 1 3 3 LYS N N 3 120.200 120.200 119.992 0.208 18952 634 1 8 . 1 1 3 3 LYS H H 3 8.270 8.270 8.366 -0.096 18952 635 1 8 . 1 1 4 4 VAL N N 4 117.600 117.600 120.419 -2.819 18952 636 1 8 . 1 1 4 4 VAL H H 4 7.750 7.750 7.900 -0.150 18952 637 1 8 . 1 1 5 5 GLN N N 5 120.800 120.800 119.206 1.594 18952 638 1 8 . 1 1 5 5 GLN H H 5 8.190 8.190 8.480 -0.290 18952 639 1 8 . 1 1 6 6 TYR N N 6 119.300 119.300 122.324 -3.024 18952 640 1 8 . 1 1 6 6 TYR H H 6 8.020 8.020 8.437 -0.417 18952 641 1 8 . 1 1 7 7 LEU N N 7 120.400 120.400 119.808 0.592 18952 642 1 8 . 1 1 7 7 LEU H H 7 8.110 8.110 8.488 -0.378 18952 643 1 8 . 1 1 8 8 THR N N 8 111.200 111.200 116.080 -4.880 18952 644 1 8 . 1 1 8 8 THR H H 8 7.890 7.890 8.339 -0.449 18952 645 1 8 . 1 1 9 9 ARG N N 9 120.700 120.700 121.705 -1.005 18952 646 1 8 . 1 1 9 9 ARG H H 9 8.220 8.220 8.297 -0.077 18952 647 1 8 . 1 1 10 10 SER N N 10 114.500 114.500 115.420 -0.920 18952 648 1 8 . 1 1 10 10 SER H H 10 7.990 7.990 8.189 -0.199 18952 649 1 8 . 1 1 11 11 ALA N N 11 124.000 124.000 124.915 -0.915 18952 650 1 8 . 1 1 11 11 ALA H H 11 8.060 8.060 8.085 -0.025 18952 651 1 8 . 1 1 12 12 ILE N N 12 115.900 115.900 118.448 -2.548 18952 652 1 8 . 1 1 12 12 ILE H H 12 7.780 7.780 7.928 -0.148 18952 653 1 8 . 1 1 13 13 ARG N N 13 121.100 121.100 118.925 2.175 18952 654 1 8 . 1 1 13 13 ARG H H 13 7.910 7.910 8.046 -0.136 18952 655 1 8 . 1 1 14 14 ARG N N 14 120.270 120.270 117.844 2.426 18952 656 1 8 . 1 1 14 14 ARG H H 14 8.060 8.060 7.817 0.243 18952 657 1 8 . 1 1 18 18 ILE N N 18 122.100 122.100 119.580 2.520 18952 658 1 8 . 1 1 18 18 ILE H H 18 7.720 7.720 7.894 -0.174 18952 659 1 8 . 1 1 19 19 GLU N N 19 124.800 124.800 127.458 -2.658 18952 660 1 8 . 1 1 19 19 GLU H H 19 8.250 8.250 8.297 -0.047 18952 661 1 8 . 1 1 20 20 MET N N 20 122.700 122.700 123.468 -0.768 18952 662 1 8 . 1 1 20 20 MET H H 20 8.480 8.480 8.685 -0.205 18952 663 1 8 . 1 1 22 22 GLN N N 22 121.600 121.600 116.552 5.048 18952 664 1 8 . 1 1 22 22 GLN H H 22 8.710 8.710 8.300 0.410 18952 665 1 8 . 1 1 23 23 GLN N N 23 119.000 119.000 119.843 -0.843 18952 666 1 8 . 1 1 23 23 GLN H H 23 8.620 8.620 8.445 0.175 18952 667 1 8 . 1 1 24 24 ALA N N 24 122.400 122.400 120.609 1.791 18952 668 1 8 . 1 1 24 24 ALA H H 24 7.840 7.840 7.815 0.025 18952 669 1 8 . 1 1 26 26 GLN N N 26 118.340 118.340 125.031 -6.691 18952 670 1 8 . 1 1 26 26 GLN H H 26 8.780 8.780 8.954 -0.174 18952 671 1 8 . 1 1 27 27 ASN N N 27 117.920 117.920 117.081 0.839 18952 672 1 8 . 1 1 27 27 ASN H H 27 8.000 8.000 8.483 -0.483 18952 673 1 8 . 1 1 28 28 LEU N N 28 121.400 121.400 121.048 0.352 18952 674 1 8 . 1 1 28 28 LEU H H 28 8.210 8.210 7.905 0.305 18952 675 1 8 . 1 1 29 29 GLN N N 29 117.930 117.930 118.651 -0.721 18952 676 1 8 . 1 1 29 29 GLN H H 29 8.130 8.130 7.736 0.394 18952 677 1 8 . 1 1 30 30 ASN N N 30 117.040 117.040 118.239 -1.199 18952 678 1 8 . 1 1 30 30 ASN H H 30 8.100 8.100 7.849 0.251 18952 679 1 8 . 1 1 31 31 LEU N N 31 121.200 121.200 121.248 -0.048 18952 680 1 8 . 1 1 31 31 LEU H H 31 8.060 8.060 7.127 0.933 18952 681 1 8 . 1 1 32 32 PHE N N 32 118.310 118.310 118.130 0.180 18952 682 1 8 . 1 1 32 32 PHE H H 32 8.450 8.450 7.145 1.305 18952 683 1 8 . 1 1 33 33 ILE N N 33 119.700 119.700 119.715 -0.015 18952 684 1 8 . 1 1 33 33 ILE H H 33 8.420 8.420 8.737 -0.317 18952 685 1 8 . 1 1 34 34 ASN N N 34 117.580 117.580 118.451 -0.871 18952 686 1 8 . 1 1 34 34 ASN H H 34 8.030 8.030 8.336 -0.306 18952 687 1 8 . 1 1 35 35 PHE N N 35 119.400 119.400 122.110 -2.710 18952 688 1 8 . 1 1 35 35 PHE H H 35 8.570 8.570 8.246 0.324 18952 689 1 8 . 1 1 36 36 CYS N N 36 116.680 116.680 118.240 -1.560 18952 690 1 8 . 1 1 36 36 CYS H H 36 8.160 8.160 7.953 0.207 18952 691 1 8 . 1 1 37 37 LEU N N 37 118.190 118.190 121.269 -3.079 18952 692 1 8 . 1 1 37 37 LEU H H 37 8.170 8.170 7.753 0.417 18952 693 1 8 . 1 1 38 38 ILE N N 38 119.700 119.700 120.063 -0.363 18952 694 1 8 . 1 1 38 38 ILE H H 38 8.390 8.390 8.602 -0.212 18952 695 1 8 . 1 1 39 39 LEU N N 39 119.400 119.400 120.210 -0.810 18952 696 1 8 . 1 1 39 39 LEU H H 39 7.990 7.990 7.940 0.050 18952 697 1 8 . 1 1 40 40 ILE N N 40 119.250 119.250 119.579 -0.329 18952 698 1 8 . 1 1 40 40 ILE H H 40 8.140 8.140 7.715 0.425 18952 699 1 8 . 1 1 41 41 CYS N N 41 117.800 117.800 119.646 -1.846 18952 700 1 8 . 1 1 41 41 CYS H H 41 7.980 7.980 8.503 -0.523 18952 701 1 8 . 1 1 42 42 LEU N N 42 117.900 117.900 119.948 -2.048 18952 702 1 8 . 1 1 42 42 LEU H H 42 8.290 8.290 8.548 -0.258 18952 703 1 8 . 1 1 43 43 LEU N N 43 119.700 119.700 120.504 -0.804 18952 704 1 8 . 1 1 43 43 LEU H H 43 8.390 8.390 8.035 0.355 18952 705 1 8 . 1 1 44 44 LEU N N 44 117.800 117.800 120.269 -2.469 18952 706 1 8 . 1 1 44 44 LEU H H 44 8.180 8.180 8.556 -0.376 18952 707 1 8 . 1 1 45 45 ILE N N 45 117.690 117.690 119.416 -1.726 18952 708 1 8 . 1 1 45 45 ILE H H 45 8.170 8.170 8.099 0.071 18952 709 1 8 . 1 1 46 46 CYS N N 46 117.020 117.020 118.604 -1.584 18952 710 1 8 . 1 1 46 46 CYS H H 46 8.150 8.150 7.477 0.673 18952 711 1 8 . 1 1 47 47 ILE N N 47 117.300 117.300 121.588 -4.288 18952 712 1 8 . 1 1 47 47 ILE H H 47 8.230 8.230 8.387 -0.157 18952 713 1 8 . 1 1 48 48 ILE N N 48 117.690 117.690 120.454 -2.764 18952 714 1 8 . 1 1 48 48 ILE H H 48 8.200 8.200 8.395 -0.195 18952 715 1 8 . 1 1 49 49 VAL N N 49 115.700 115.700 120.404 -4.704 18952 716 1 8 . 1 1 49 49 VAL H H 49 8.340 8.340 8.088 0.252 18952 717 1 8 . 1 1 50 50 MET N N 50 115.500 115.500 118.165 -2.665 18952 718 1 8 . 1 1 50 50 MET H H 50 7.920 7.920 8.140 -0.220 18952 719 1 8 . 1 1 51 51 LEU N N 51 118.100 118.100 119.340 -1.240 18952 720 1 8 . 1 1 51 51 LEU H H 51 7.880 7.880 7.991 -0.111 18952 721 1 9 . 1 1 2 2 GLU N N 2 121.800 121.800 122.728 -0.928 18952 722 1 9 . 1 1 2 2 GLU H H 2 9.240 9.240 8.921 0.319 18952 723 1 9 . 1 1 3 3 LYS N N 3 120.200 120.200 119.947 0.253 18952 724 1 9 . 1 1 3 3 LYS H H 3 8.270 8.270 8.367 -0.097 18952 725 1 9 . 1 1 4 4 VAL N N 4 117.600 117.600 120.533 -2.933 18952 726 1 9 . 1 1 4 4 VAL H H 4 7.750 7.750 7.884 -0.134 18952 727 1 9 . 1 1 5 5 GLN N N 5 120.800 120.800 118.857 1.943 18952 728 1 9 . 1 1 5 5 GLN H H 5 8.190 8.190 8.547 -0.357 18952 729 1 9 . 1 1 6 6 TYR N N 6 119.300 119.300 122.237 -2.937 18952 730 1 9 . 1 1 6 6 TYR H H 6 8.020 8.020 8.393 -0.373 18952 731 1 9 . 1 1 7 7 LEU N N 7 120.400 120.400 119.878 0.522 18952 732 1 9 . 1 1 7 7 LEU H H 7 8.110 8.110 8.548 -0.438 18952 733 1 9 . 1 1 8 8 THR N N 8 111.200 111.200 115.998 -4.798 18952 734 1 9 . 1 1 8 8 THR H H 8 7.890 7.890 8.373 -0.483 18952 735 1 9 . 1 1 9 9 ARG N N 9 120.700 120.700 121.643 -0.943 18952 736 1 9 . 1 1 9 9 ARG H H 9 8.220 8.220 8.167 0.053 18952 737 1 9 . 1 1 10 10 SER N N 10 114.500 114.500 115.460 -0.960 18952 738 1 9 . 1 1 10 10 SER H H 10 7.990 7.990 8.172 -0.182 18952 739 1 9 . 1 1 11 11 ALA N N 11 124.000 124.000 124.959 -0.959 18952 740 1 9 . 1 1 11 11 ALA H H 11 8.060 8.060 8.150 -0.090 18952 741 1 9 . 1 1 12 12 ILE N N 12 115.900 115.900 118.788 -2.888 18952 742 1 9 . 1 1 12 12 ILE H H 12 7.780 7.780 7.952 -0.172 18952 743 1 9 . 1 1 13 13 ARG N N 13 121.100 121.100 120.010 1.090 18952 744 1 9 . 1 1 13 13 ARG H H 13 7.910 7.910 8.021 -0.111 18952 745 1 9 . 1 1 14 14 ARG N N 14 120.270 120.270 118.044 2.226 18952 746 1 9 . 1 1 14 14 ARG H H 14 8.060 8.060 7.927 0.133 18952 747 1 9 . 1 1 18 18 ILE N N 18 122.100 122.100 123.103 -1.003 18952 748 1 9 . 1 1 18 18 ILE H H 18 7.720 7.720 7.854 -0.134 18952 749 1 9 . 1 1 19 19 GLU N N 19 124.800 124.800 126.589 -1.789 18952 750 1 9 . 1 1 19 19 GLU H H 19 8.250 8.250 8.510 -0.260 18952 751 1 9 . 1 1 20 20 MET N N 20 122.700 122.700 121.061 1.639 18952 752 1 9 . 1 1 20 20 MET H H 20 8.480 8.480 8.425 0.055 18952 753 1 9 . 1 1 22 22 GLN N N 22 121.600 121.600 118.353 3.247 18952 754 1 9 . 1 1 22 22 GLN H H 22 8.710 8.710 8.518 0.192 18952 755 1 9 . 1 1 23 23 GLN N N 23 119.000 119.000 116.150 2.850 18952 756 1 9 . 1 1 23 23 GLN H H 23 8.620 8.620 8.227 0.393 18952 757 1 9 . 1 1 24 24 ALA N N 24 122.400 122.400 122.273 0.127 18952 758 1 9 . 1 1 24 24 ALA H H 24 7.840 7.840 7.764 0.076 18952 759 1 9 . 1 1 26 26 GLN N N 26 118.340 118.340 117.545 0.795 18952 760 1 9 . 1 1 26 26 GLN H H 26 8.780 8.780 8.243 0.537 18952 761 1 9 . 1 1 27 27 ASN N N 27 117.920 117.920 115.997 1.923 18952 762 1 9 . 1 1 27 27 ASN H H 27 8.000 8.000 8.542 -0.542 18952 763 1 9 . 1 1 28 28 LEU N N 28 121.400 121.400 119.735 1.665 18952 764 1 9 . 1 1 28 28 LEU H H 28 8.210 8.210 7.634 0.576 18952 765 1 9 . 1 1 29 29 GLN N N 29 117.930 117.930 118.335 -0.405 18952 766 1 9 . 1 1 29 29 GLN H H 29 8.130 8.130 7.779 0.351 18952 767 1 9 . 1 1 30 30 ASN N N 30 117.040 117.040 119.346 -2.306 18952 768 1 9 . 1 1 30 30 ASN H H 30 8.100 8.100 7.447 0.653 18952 769 1 9 . 1 1 31 31 LEU N N 31 121.200 121.200 121.234 -0.034 18952 770 1 9 . 1 1 31 31 LEU H H 31 8.060 8.060 8.034 0.026 18952 771 1 9 . 1 1 32 32 PHE N N 32 118.310 118.310 118.095 0.215 18952 772 1 9 . 1 1 32 32 PHE H H 32 8.450 8.450 7.231 1.219 18952 773 1 9 . 1 1 33 33 ILE N N 33 119.700 119.700 119.822 -0.122 18952 774 1 9 . 1 1 33 33 ILE H H 33 8.420 8.420 8.808 -0.388 18952 775 1 9 . 1 1 34 34 ASN N N 34 117.580 117.580 118.200 -0.620 18952 776 1 9 . 1 1 34 34 ASN H H 34 8.030 8.030 8.306 -0.276 18952 777 1 9 . 1 1 35 35 PHE N N 35 119.400 119.400 121.658 -2.258 18952 778 1 9 . 1 1 35 35 PHE H H 35 8.570 8.570 7.945 0.625 18952 779 1 9 . 1 1 36 36 CYS N N 36 116.680 116.680 118.175 -1.495 18952 780 1 9 . 1 1 36 36 CYS H H 36 8.160 8.160 7.881 0.279 18952 781 1 9 . 1 1 37 37 LEU N N 37 118.190 118.190 121.428 -3.238 18952 782 1 9 . 1 1 37 37 LEU H H 37 8.170 8.170 7.825 0.345 18952 783 1 9 . 1 1 38 38 ILE N N 38 119.700 119.700 119.803 -0.103 18952 784 1 9 . 1 1 38 38 ILE H H 38 8.390 8.390 8.508 -0.118 18952 785 1 9 . 1 1 39 39 LEU N N 39 119.400 119.400 120.089 -0.689 18952 786 1 9 . 1 1 39 39 LEU H H 39 7.990 7.990 7.884 0.106 18952 787 1 9 . 1 1 40 40 ILE N N 40 119.250 119.250 119.133 0.117 18952 788 1 9 . 1 1 40 40 ILE H H 40 8.140 8.140 7.882 0.258 18952 789 1 9 . 1 1 41 41 CYS N N 41 117.800 117.800 118.781 -0.981 18952 790 1 9 . 1 1 41 41 CYS H H 41 7.980 7.980 8.378 -0.398 18952 791 1 9 . 1 1 42 42 LEU N N 42 117.900 117.900 119.804 -1.904 18952 792 1 9 . 1 1 42 42 LEU H H 42 8.290 8.290 8.132 0.158 18952 793 1 9 . 1 1 43 43 LEU N N 43 119.700 119.700 120.276 -0.576 18952 794 1 9 . 1 1 43 43 LEU H H 43 8.390 8.390 7.904 0.486 18952 795 1 9 . 1 1 44 44 LEU N N 44 117.800 117.800 120.766 -2.966 18952 796 1 9 . 1 1 44 44 LEU H H 44 8.180 8.180 8.289 -0.109 18952 797 1 9 . 1 1 45 45 ILE N N 45 117.690 117.690 119.913 -2.223 18952 798 1 9 . 1 1 45 45 ILE H H 45 8.170 8.170 7.680 0.490 18952 799 1 9 . 1 1 46 46 CYS N N 46 117.020 117.020 118.463 -1.443 18952 800 1 9 . 1 1 46 46 CYS H H 46 8.150 8.150 7.658 0.492 18952 801 1 9 . 1 1 47 47 ILE N N 47 117.300 117.300 121.457 -4.157 18952 802 1 9 . 1 1 47 47 ILE H H 47 8.230 8.230 8.238 -0.008 18952 803 1 9 . 1 1 48 48 ILE N N 48 117.690 117.690 120.257 -2.567 18952 804 1 9 . 1 1 48 48 ILE H H 48 8.200 8.200 8.239 -0.039 18952 805 1 9 . 1 1 49 49 VAL N N 49 115.700 115.700 120.519 -4.819 18952 806 1 9 . 1 1 49 49 VAL H H 49 8.340 8.340 8.134 0.206 18952 807 1 9 . 1 1 50 50 MET N N 50 115.500 115.500 117.754 -2.254 18952 808 1 9 . 1 1 50 50 MET H H 50 7.920 7.920 8.121 -0.201 18952 809 1 9 . 1 1 51 51 LEU N N 51 118.100 118.100 119.716 -1.616 18952 810 1 9 . 1 1 51 51 LEU H H 51 7.880 7.880 7.892 -0.012 18952 811 1 10 . 1 1 2 2 GLU N N 2 121.800 121.800 121.245 0.555 18952 812 1 10 . 1 1 2 2 GLU H H 2 9.240 9.240 8.734 0.506 18952 813 1 10 . 1 1 3 3 LYS N N 3 120.200 120.200 119.980 0.220 18952 814 1 10 . 1 1 3 3 LYS H H 3 8.270 8.270 8.365 -0.095 18952 815 1 10 . 1 1 4 4 VAL N N 4 117.600 117.600 120.378 -2.778 18952 816 1 10 . 1 1 4 4 VAL H H 4 7.750 7.750 7.898 -0.148 18952 817 1 10 . 1 1 5 5 GLN N N 5 120.800 120.800 119.221 1.579 18952 818 1 10 . 1 1 5 5 GLN H H 5 8.190 8.190 8.549 -0.359 18952 819 1 10 . 1 1 6 6 TYR N N 6 119.300 119.300 122.329 -3.029 18952 820 1 10 . 1 1 6 6 TYR H H 6 8.020 8.020 8.429 -0.409 18952 821 1 10 . 1 1 7 7 LEU N N 7 120.400 120.400 119.827 0.573 18952 822 1 10 . 1 1 7 7 LEU H H 7 8.110 8.110 8.472 -0.362 18952 823 1 10 . 1 1 8 8 THR N N 8 111.200 111.200 116.055 -4.855 18952 824 1 10 . 1 1 8 8 THR H H 8 7.890 7.890 8.310 -0.420 18952 825 1 10 . 1 1 9 9 ARG N N 9 120.700 120.700 121.673 -0.973 18952 826 1 10 . 1 1 9 9 ARG H H 9 8.220 8.220 8.321 -0.101 18952 827 1 10 . 1 1 10 10 SER N N 10 114.500 114.500 115.485 -0.985 18952 828 1 10 . 1 1 10 10 SER H H 10 7.990 7.990 8.178 -0.188 18952 829 1 10 . 1 1 11 11 ALA N N 11 124.000 124.000 124.958 -0.958 18952 830 1 10 . 1 1 11 11 ALA H H 11 8.060 8.060 8.125 -0.065 18952 831 1 10 . 1 1 12 12 ILE N N 12 115.900 115.900 118.505 -2.605 18952 832 1 10 . 1 1 12 12 ILE H H 12 7.780 7.780 7.958 -0.178 18952 833 1 10 . 1 1 13 13 ARG N N 13 121.100 121.100 118.684 2.416 18952 834 1 10 . 1 1 13 13 ARG H H 13 7.910 7.910 8.163 -0.253 18952 835 1 10 . 1 1 14 14 ARG N N 14 120.270 120.270 118.279 1.991 18952 836 1 10 . 1 1 14 14 ARG H H 14 8.060 8.060 7.841 0.219 18952 837 1 10 . 1 1 18 18 ILE N N 18 122.100 122.100 122.791 -0.691 18952 838 1 10 . 1 1 18 18 ILE H H 18 7.720 7.720 7.782 -0.062 18952 839 1 10 . 1 1 19 19 GLU N N 19 124.800 124.800 126.644 -1.844 18952 840 1 10 . 1 1 19 19 GLU H H 19 8.250 8.250 8.275 -0.025 18952 841 1 10 . 1 1 20 20 MET N N 20 122.700 122.700 120.480 2.220 18952 842 1 10 . 1 1 20 20 MET H H 20 8.480 8.480 8.293 0.187 18952 843 1 10 . 1 1 22 22 GLN N N 22 121.600 121.600 122.056 -0.456 18952 844 1 10 . 1 1 22 22 GLN H H 22 8.710 8.710 8.610 0.100 18952 845 1 10 . 1 1 23 23 GLN N N 23 119.000 119.000 118.589 0.411 18952 846 1 10 . 1 1 23 23 GLN H H 23 8.620 8.620 7.827 0.793 18952 847 1 10 . 1 1 24 24 ALA N N 24 122.400 122.400 122.483 -0.083 18952 848 1 10 . 1 1 24 24 ALA H H 24 7.840 7.840 8.334 -0.494 18952 849 1 10 . 1 1 26 26 GLN N N 26 118.340 118.340 118.052 0.288 18952 850 1 10 . 1 1 26 26 GLN H H 26 8.780 8.780 8.706 0.074 18952 851 1 10 . 1 1 27 27 ASN N N 27 117.920 117.920 117.226 0.694 18952 852 1 10 . 1 1 27 27 ASN H H 27 8.000 8.000 8.327 -0.327 18952 853 1 10 . 1 1 28 28 LEU N N 28 121.400 121.400 120.676 0.724 18952 854 1 10 . 1 1 28 28 LEU H H 28 8.210 8.210 7.423 0.787 18952 855 1 10 . 1 1 29 29 GLN N N 29 117.930 117.930 119.000 -1.070 18952 856 1 10 . 1 1 29 29 GLN H H 29 8.130 8.130 8.132 -0.002 18952 857 1 10 . 1 1 30 30 ASN N N 30 117.040 117.040 118.566 -1.526 18952 858 1 10 . 1 1 30 30 ASN H H 30 8.100 8.100 8.300 -0.200 18952 859 1 10 . 1 1 31 31 LEU N N 31 121.200 121.200 121.894 -0.694 18952 860 1 10 . 1 1 31 31 LEU H H 31 8.060 8.060 7.893 0.167 18952 861 1 10 . 1 1 32 32 PHE N N 32 118.310 118.310 116.746 1.564 18952 862 1 10 . 1 1 32 32 PHE H H 32 8.450 8.450 7.863 0.587 18952 863 1 10 . 1 1 33 33 ILE N N 33 119.700 119.700 120.396 -0.696 18952 864 1 10 . 1 1 33 33 ILE H H 33 8.420 8.420 7.564 0.856 18952 865 1 10 . 1 1 34 34 ASN N N 34 117.580 117.580 118.605 -1.025 18952 866 1 10 . 1 1 34 34 ASN H H 34 8.030 8.030 7.589 0.441 18952 867 1 10 . 1 1 35 35 PHE N N 35 119.400 119.400 119.683 -0.283 18952 868 1 10 . 1 1 35 35 PHE H H 35 8.570 8.570 7.834 0.736 18952 869 1 10 . 1 1 36 36 CYS N N 36 116.680 116.680 118.844 -2.164 18952 870 1 10 . 1 1 36 36 CYS H H 36 8.160 8.160 8.309 -0.149 18952 871 1 10 . 1 1 37 37 LEU N N 37 118.190 118.190 121.549 -3.359 18952 872 1 10 . 1 1 37 37 LEU H H 37 8.170 8.170 8.365 -0.195 18952 873 1 10 . 1 1 38 38 ILE N N 38 119.700 119.700 119.714 -0.014 18952 874 1 10 . 1 1 38 38 ILE H H 38 8.390 8.390 8.556 -0.166 18952 875 1 10 . 1 1 39 39 LEU N N 39 119.400 119.400 120.341 -0.941 18952 876 1 10 . 1 1 39 39 LEU H H 39 7.990 7.990 8.063 -0.073 18952 877 1 10 . 1 1 40 40 ILE N N 40 119.250 119.250 118.855 0.395 18952 878 1 10 . 1 1 40 40 ILE H H 40 8.140 8.140 8.193 -0.053 18952 879 1 10 . 1 1 41 41 CYS N N 41 117.800 117.800 118.916 -1.116 18952 880 1 10 . 1 1 41 41 CYS H H 41 7.980 7.980 8.430 -0.450 18952 881 1 10 . 1 1 42 42 LEU N N 42 117.900 117.900 120.060 -2.160 18952 882 1 10 . 1 1 42 42 LEU H H 42 8.290 8.290 8.261 0.029 18952 883 1 10 . 1 1 43 43 LEU N N 43 119.700 119.700 119.876 -0.176 18952 884 1 10 . 1 1 43 43 LEU H H 43 8.390 8.390 7.994 0.396 18952 885 1 10 . 1 1 44 44 LEU N N 44 117.800 117.800 120.593 -2.793 18952 886 1 10 . 1 1 44 44 LEU H H 44 8.180 8.180 8.275 -0.095 18952 887 1 10 . 1 1 45 45 ILE N N 45 117.690 117.690 120.544 -2.854 18952 888 1 10 . 1 1 45 45 ILE H H 45 8.170 8.170 7.886 0.284 18952 889 1 10 . 1 1 46 46 CYS N N 46 117.020 117.020 118.380 -1.360 18952 890 1 10 . 1 1 46 46 CYS H H 46 8.150 8.150 7.594 0.556 18952 891 1 10 . 1 1 47 47 ILE N N 47 117.300 117.300 121.163 -3.863 18952 892 1 10 . 1 1 47 47 ILE H H 47 8.230 8.230 7.654 0.576 18952 893 1 10 . 1 1 48 48 ILE N N 48 117.690 117.690 120.680 -2.990 18952 894 1 10 . 1 1 48 48 ILE H H 48 8.200 8.200 8.373 -0.173 18952 895 1 10 . 1 1 49 49 VAL N N 49 115.700 115.700 120.239 -4.539 18952 896 1 10 . 1 1 49 49 VAL H H 49 8.340 8.340 8.356 -0.016 18952 897 1 10 . 1 1 50 50 MET N N 50 115.500 115.500 118.249 -2.749 18952 898 1 10 . 1 1 50 50 MET H H 50 7.920 7.920 8.195 -0.275 18952 899 1 10 . 1 1 51 51 LEU N N 51 118.100 118.100 119.948 -1.848 18952 900 1 10 . 1 1 51 51 LEU H H 51 7.880 7.880 8.051 -0.171 18952 901 1 11 . 1 1 2 2 GLU N N 2 121.800 121.800 121.242 0.558 18952 902 1 11 . 1 1 2 2 GLU H H 2 9.240 9.240 8.727 0.513 18952 903 1 11 . 1 1 3 3 LYS N N 3 120.200 120.200 119.272 0.928 18952 904 1 11 . 1 1 3 3 LYS H H 3 8.270 8.270 8.365 -0.095 18952 905 1 11 . 1 1 4 4 VAL N N 4 117.600 117.600 120.439 -2.839 18952 906 1 11 . 1 1 4 4 VAL H H 4 7.750 7.750 7.892 -0.142 18952 907 1 11 . 1 1 5 5 GLN N N 5 120.800 120.800 119.151 1.649 18952 908 1 11 . 1 1 5 5 GLN H H 5 8.190 8.190 8.529 -0.339 18952 909 1 11 . 1 1 6 6 TYR N N 6 119.300 119.300 122.491 -3.191 18952 910 1 11 . 1 1 6 6 TYR H H 6 8.020 8.020 8.374 -0.354 18952 911 1 11 . 1 1 7 7 LEU N N 7 120.400 120.400 119.721 0.679 18952 912 1 11 . 1 1 7 7 LEU H H 7 8.110 8.110 8.401 -0.291 18952 913 1 11 . 1 1 8 8 THR N N 8 111.200 111.200 115.940 -4.740 18952 914 1 11 . 1 1 8 8 THR H H 8 7.890 7.890 8.243 -0.353 18952 915 1 11 . 1 1 9 9 ARG N N 9 120.700 120.700 121.636 -0.936 18952 916 1 11 . 1 1 9 9 ARG H H 9 8.220 8.220 8.241 -0.021 18952 917 1 11 . 1 1 10 10 SER N N 10 114.500 114.500 115.239 -0.739 18952 918 1 11 . 1 1 10 10 SER H H 10 7.990 7.990 8.163 -0.173 18952 919 1 11 . 1 1 11 11 ALA N N 11 124.000 124.000 124.764 -0.764 18952 920 1 11 . 1 1 11 11 ALA H H 11 8.060 8.060 7.978 0.082 18952 921 1 11 . 1 1 12 12 ILE N N 12 115.900 115.900 118.589 -2.689 18952 922 1 11 . 1 1 12 12 ILE H H 12 7.780 7.780 7.788 -0.008 18952 923 1 11 . 1 1 13 13 ARG N N 13 121.100 121.100 118.855 2.245 18952 924 1 11 . 1 1 13 13 ARG H H 13 7.910 7.910 8.033 -0.123 18952 925 1 11 . 1 1 14 14 ARG N N 14 120.270 120.270 117.668 2.602 18952 926 1 11 . 1 1 14 14 ARG H H 14 8.060 8.060 7.851 0.209 18952 927 1 11 . 1 1 18 18 ILE N N 18 122.100 122.100 125.866 -3.766 18952 928 1 11 . 1 1 18 18 ILE H H 18 7.720 7.720 8.298 -0.578 18952 929 1 11 . 1 1 19 19 GLU N N 19 124.800 124.800 126.411 -1.611 18952 930 1 11 . 1 1 19 19 GLU H H 19 8.250 8.250 8.060 0.190 18952 931 1 11 . 1 1 20 20 MET N N 20 122.700 122.700 122.141 0.559 18952 932 1 11 . 1 1 20 20 MET H H 20 8.480 8.480 8.387 0.093 18952 933 1 11 . 1 1 22 22 GLN N N 22 121.600 121.600 123.767 -2.167 18952 934 1 11 . 1 1 22 22 GLN H H 22 8.710 8.710 8.895 -0.185 18952 935 1 11 . 1 1 23 23 GLN N N 23 119.000 119.000 117.815 1.185 18952 936 1 11 . 1 1 23 23 GLN H H 23 8.620 8.620 8.168 0.452 18952 937 1 11 . 1 1 24 24 ALA N N 24 122.400 122.400 120.141 2.259 18952 938 1 11 . 1 1 24 24 ALA H H 24 7.840 7.840 8.315 -0.475 18952 939 1 11 . 1 1 26 26 GLN N N 26 118.340 118.340 116.061 2.279 18952 940 1 11 . 1 1 26 26 GLN H H 26 8.780 8.780 8.545 0.235 18952 941 1 11 . 1 1 27 27 ASN N N 27 117.920 117.920 117.888 0.032 18952 942 1 11 . 1 1 27 27 ASN H H 27 8.000 8.000 8.075 -0.075 18952 943 1 11 . 1 1 28 28 LEU N N 28 121.400 121.400 120.772 0.628 18952 944 1 11 . 1 1 28 28 LEU H H 28 8.210 8.210 8.367 -0.157 18952 945 1 11 . 1 1 29 29 GLN N N 29 117.930 117.930 118.798 -0.868 18952 946 1 11 . 1 1 29 29 GLN H H 29 8.130 8.130 7.781 0.349 18952 947 1 11 . 1 1 30 30 ASN N N 30 117.040 117.040 118.890 -1.850 18952 948 1 11 . 1 1 30 30 ASN H H 30 8.100 8.100 7.450 0.650 18952 949 1 11 . 1 1 31 31 LEU N N 31 121.200 121.200 121.394 -0.194 18952 950 1 11 . 1 1 31 31 LEU H H 31 8.060 8.060 7.968 0.092 18952 951 1 11 . 1 1 32 32 PHE N N 32 118.310 118.310 118.051 0.259 18952 952 1 11 . 1 1 32 32 PHE H H 32 8.450 8.450 7.589 0.861 18952 953 1 11 . 1 1 33 33 ILE N N 33 119.700 119.700 119.647 0.053 18952 954 1 11 . 1 1 33 33 ILE H H 33 8.420 8.420 8.768 -0.348 18952 955 1 11 . 1 1 34 34 ASN N N 34 117.580 117.580 118.032 -0.452 18952 956 1 11 . 1 1 34 34 ASN H H 34 8.030 8.030 8.155 -0.125 18952 957 1 11 . 1 1 35 35 PHE N N 35 119.400 119.400 121.567 -2.167 18952 958 1 11 . 1 1 35 35 PHE H H 35 8.570 8.570 7.750 0.820 18952 959 1 11 . 1 1 36 36 CYS N N 36 116.680 116.680 118.552 -1.872 18952 960 1 11 . 1 1 36 36 CYS H H 36 8.160 8.160 7.781 0.379 18952 961 1 11 . 1 1 37 37 LEU N N 37 118.190 118.190 121.072 -2.882 18952 962 1 11 . 1 1 37 37 LEU H H 37 8.170 8.170 8.540 -0.370 18952 963 1 11 . 1 1 38 38 ILE N N 38 119.700 119.700 118.851 0.849 18952 964 1 11 . 1 1 38 38 ILE H H 38 8.390 8.390 8.417 -0.027 18952 965 1 11 . 1 1 39 39 LEU N N 39 119.400 119.400 119.802 -0.402 18952 966 1 11 . 1 1 39 39 LEU H H 39 7.990 7.990 7.580 0.410 18952 967 1 11 . 1 1 40 40 ILE N N 40 119.250 119.250 119.726 -0.476 18952 968 1 11 . 1 1 40 40 ILE H H 40 8.140 8.140 8.253 -0.113 18952 969 1 11 . 1 1 41 41 CYS N N 41 117.800 117.800 118.810 -1.010 18952 970 1 11 . 1 1 41 41 CYS H H 41 7.980 7.980 8.432 -0.452 18952 971 1 11 . 1 1 42 42 LEU N N 42 117.900 117.900 120.030 -2.130 18952 972 1 11 . 1 1 42 42 LEU H H 42 8.290 8.290 8.079 0.211 18952 973 1 11 . 1 1 43 43 LEU N N 43 119.700 119.700 120.296 -0.596 18952 974 1 11 . 1 1 43 43 LEU H H 43 8.390 8.390 8.149 0.241 18952 975 1 11 . 1 1 44 44 LEU N N 44 117.800 117.800 120.503 -2.703 18952 976 1 11 . 1 1 44 44 LEU H H 44 8.180 8.180 8.223 -0.043 18952 977 1 11 . 1 1 45 45 ILE N N 45 117.690 117.690 119.914 -2.224 18952 978 1 11 . 1 1 45 45 ILE H H 45 8.170 8.170 7.694 0.476 18952 979 1 11 . 1 1 46 46 CYS N N 46 117.020 117.020 118.599 -1.579 18952 980 1 11 . 1 1 46 46 CYS H H 46 8.150 8.150 7.835 0.315 18952 981 1 11 . 1 1 47 47 ILE N N 47 117.300 117.300 121.389 -4.089 18952 982 1 11 . 1 1 47 47 ILE H H 47 8.230 8.230 8.198 0.032 18952 983 1 11 . 1 1 48 48 ILE N N 48 117.690 117.690 120.106 -2.416 18952 984 1 11 . 1 1 48 48 ILE H H 48 8.200 8.200 8.024 0.176 18952 985 1 11 . 1 1 49 49 VAL N N 49 115.700 115.700 120.333 -4.633 18952 986 1 11 . 1 1 49 49 VAL H H 49 8.340 8.340 8.143 0.197 18952 987 1 11 . 1 1 50 50 MET N N 50 115.500 115.500 116.949 -1.449 18952 988 1 11 . 1 1 50 50 MET H H 50 7.920 7.920 8.428 -0.508 18952 989 1 11 . 1 1 51 51 LEU N N 51 118.100 118.100 119.516 -1.416 18952 990 1 11 . 1 1 51 51 LEU H H 51 7.880 7.880 7.827 0.053 18952 991 1 12 . 1 1 2 2 GLU N N 2 121.800 121.800 120.888 0.912 18952 992 1 12 . 1 1 2 2 GLU H H 2 9.240 9.240 8.764 0.476 18952 993 1 12 . 1 1 3 3 LYS N N 3 120.200 120.200 119.225 0.975 18952 994 1 12 . 1 1 3 3 LYS H H 3 8.270 8.270 8.410 -0.140 18952 995 1 12 . 1 1 4 4 VAL N N 4 117.600 117.600 119.799 -2.199 18952 996 1 12 . 1 1 4 4 VAL H H 4 7.750 7.750 7.301 0.449 18952 997 1 12 . 1 1 5 5 GLN N N 5 120.800 120.800 118.729 2.071 18952 998 1 12 . 1 1 5 5 GLN H H 5 8.190 8.190 8.207 -0.017 18952 999 1 12 . 1 1 6 6 TYR N N 6 119.300 119.300 122.934 -3.634 18952 1000 1 12 . 1 1 6 6 TYR H H 6 8.020 8.020 8.428 -0.408 18952 1001 1 12 . 1 1 7 7 LEU N N 7 120.400 120.400 119.363 1.037 18952 1002 1 12 . 1 1 7 7 LEU H H 7 8.110 8.110 8.295 -0.185 18952 1003 1 12 . 1 1 8 8 THR N N 8 111.200 111.200 116.297 -5.097 18952 1004 1 12 . 1 1 8 8 THR H H 8 7.890 7.890 7.779 0.111 18952 1005 1 12 . 1 1 9 9 ARG N N 9 120.700 120.700 121.534 -0.834 18952 1006 1 12 . 1 1 9 9 ARG H H 9 8.220 8.220 8.563 -0.343 18952 1007 1 12 . 1 1 10 10 SER N N 10 114.500 114.500 114.509 -0.009 18952 1008 1 12 . 1 1 10 10 SER H H 10 7.990 7.990 8.089 -0.099 18952 1009 1 12 . 1 1 11 11 ALA N N 11 124.000 124.000 123.815 0.185 18952 1010 1 12 . 1 1 11 11 ALA H H 11 8.060 8.060 7.664 0.396 18952 1011 1 12 . 1 1 12 12 ILE N N 12 115.900 115.900 118.501 -2.601 18952 1012 1 12 . 1 1 12 12 ILE H H 12 7.780 7.780 7.829 -0.049 18952 1013 1 12 . 1 1 13 13 ARG N N 13 121.100 121.100 119.391 1.709 18952 1014 1 12 . 1 1 13 13 ARG H H 13 7.910 7.910 8.307 -0.397 18952 1015 1 12 . 1 1 14 14 ARG N N 14 120.270 120.270 119.495 0.775 18952 1016 1 12 . 1 1 14 14 ARG H H 14 8.060 8.060 8.006 0.054 18952 1017 1 12 . 1 1 18 18 ILE N N 18 122.100 122.100 122.278 -0.178 18952 1018 1 12 . 1 1 18 18 ILE H H 18 7.720 7.720 8.433 -0.713 18952 1019 1 12 . 1 1 19 19 GLU N N 19 124.800 124.800 126.484 -1.684 18952 1020 1 12 . 1 1 19 19 GLU H H 19 8.250 8.250 8.583 -0.333 18952 1021 1 12 . 1 1 20 20 MET N N 20 122.700 122.700 126.428 -3.728 18952 1022 1 12 . 1 1 20 20 MET H H 20 8.480 8.480 8.654 -0.174 18952 1023 1 12 . 1 1 22 22 GLN N N 22 121.600 121.600 122.102 -0.502 18952 1024 1 12 . 1 1 22 22 GLN H H 22 8.710 8.710 8.295 0.415 18952 1025 1 12 . 1 1 23 23 GLN N N 23 119.000 119.000 116.557 2.443 18952 1026 1 12 . 1 1 23 23 GLN H H 23 8.620 8.620 7.986 0.634 18952 1027 1 12 . 1 1 24 24 ALA N N 24 122.400 122.400 121.767 0.633 18952 1028 1 12 . 1 1 24 24 ALA H H 24 7.840 7.840 7.904 -0.064 18952 1029 1 12 . 1 1 26 26 GLN N N 26 118.340 118.340 120.842 -2.502 18952 1030 1 12 . 1 1 26 26 GLN H H 26 8.780 8.780 8.746 0.034 18952 1031 1 12 . 1 1 27 27 ASN N N 27 117.920 117.920 116.401 1.519 18952 1032 1 12 . 1 1 27 27 ASN H H 27 8.000 8.000 8.475 -0.475 18952 1033 1 12 . 1 1 28 28 LEU N N 28 121.400 121.400 120.593 0.807 18952 1034 1 12 . 1 1 28 28 LEU H H 28 8.210 8.210 7.544 0.666 18952 1035 1 12 . 1 1 29 29 GLN N N 29 117.930 117.930 118.992 -1.062 18952 1036 1 12 . 1 1 29 29 GLN H H 29 8.130 8.130 7.978 0.152 18952 1037 1 12 . 1 1 30 30 ASN N N 30 117.040 117.040 119.554 -2.514 18952 1038 1 12 . 1 1 30 30 ASN H H 30 8.100 8.100 8.448 -0.348 18952 1039 1 12 . 1 1 31 31 LEU N N 31 121.200 121.200 121.166 0.034 18952 1040 1 12 . 1 1 31 31 LEU H H 31 8.060 8.060 7.924 0.136 18952 1041 1 12 . 1 1 32 32 PHE N N 32 118.310 118.310 118.538 -0.228 18952 1042 1 12 . 1 1 32 32 PHE H H 32 8.450 8.450 7.657 0.793 18952 1043 1 12 . 1 1 33 33 ILE N N 33 119.700 119.700 119.916 -0.216 18952 1044 1 12 . 1 1 33 33 ILE H H 33 8.420 8.420 9.008 -0.588 18952 1045 1 12 . 1 1 34 34 ASN N N 34 117.580 117.580 118.426 -0.846 18952 1046 1 12 . 1 1 34 34 ASN H H 34 8.030 8.030 8.172 -0.142 18952 1047 1 12 . 1 1 35 35 PHE N N 35 119.400 119.400 121.686 -2.286 18952 1048 1 12 . 1 1 35 35 PHE H H 35 8.570 8.570 8.442 0.128 18952 1049 1 12 . 1 1 36 36 CYS N N 36 116.680 116.680 118.528 -1.848 18952 1050 1 12 . 1 1 36 36 CYS H H 36 8.160 8.160 8.394 -0.234 18952 1051 1 12 . 1 1 37 37 LEU N N 37 118.190 118.190 121.352 -3.162 18952 1052 1 12 . 1 1 37 37 LEU H H 37 8.170 8.170 8.463 -0.293 18952 1053 1 12 . 1 1 38 38 ILE N N 38 119.700 119.700 119.349 0.351 18952 1054 1 12 . 1 1 38 38 ILE H H 38 8.390 8.390 8.396 -0.006 18952 1055 1 12 . 1 1 39 39 LEU N N 39 119.400 119.400 120.046 -0.646 18952 1056 1 12 . 1 1 39 39 LEU H H 39 7.990 7.990 7.734 0.256 18952 1057 1 12 . 1 1 40 40 ILE N N 40 119.250 119.250 119.044 0.206 18952 1058 1 12 . 1 1 40 40 ILE H H 40 8.140 8.140 7.954 0.186 18952 1059 1 12 . 1 1 41 41 CYS N N 41 117.800 117.800 118.735 -0.935 18952 1060 1 12 . 1 1 41 41 CYS H H 41 7.980 7.980 8.379 -0.399 18952 1061 1 12 . 1 1 42 42 LEU N N 42 117.900 117.900 119.898 -1.998 18952 1062 1 12 . 1 1 42 42 LEU H H 42 8.290 8.290 8.039 0.251 18952 1063 1 12 . 1 1 43 43 LEU N N 43 119.700 119.700 120.264 -0.564 18952 1064 1 12 . 1 1 43 43 LEU H H 43 8.390 8.390 8.164 0.226 18952 1065 1 12 . 1 1 44 44 LEU N N 44 117.800 117.800 120.254 -2.454 18952 1066 1 12 . 1 1 44 44 LEU H H 44 8.180 8.180 8.380 -0.200 18952 1067 1 12 . 1 1 45 45 ILE N N 45 117.690 117.690 119.310 -1.620 18952 1068 1 12 . 1 1 45 45 ILE H H 45 8.170 8.170 7.406 0.764 18952 1069 1 12 . 1 1 46 46 CYS N N 46 117.020 117.020 118.352 -1.332 18952 1070 1 12 . 1 1 46 46 CYS H H 46 8.150 8.150 7.632 0.518 18952 1071 1 12 . 1 1 47 47 ILE N N 47 117.300 117.300 121.530 -4.230 18952 1072 1 12 . 1 1 47 47 ILE H H 47 8.230 8.230 8.279 -0.049 18952 1073 1 12 . 1 1 48 48 ILE N N 48 117.690 117.690 119.914 -2.224 18952 1074 1 12 . 1 1 48 48 ILE H H 48 8.200 8.200 7.491 0.709 18952 1075 1 12 . 1 1 49 49 VAL N N 49 115.700 115.700 120.471 -4.771 18952 1076 1 12 . 1 1 49 49 VAL H H 49 8.340 8.340 7.612 0.728 18952 1077 1 12 . 1 1 50 50 MET N N 50 115.500 115.500 116.860 -1.360 18952 1078 1 12 . 1 1 50 50 MET H H 50 7.920 7.920 8.260 -0.340 18952 1079 1 12 . 1 1 51 51 LEU N N 51 118.100 118.100 119.539 -1.439 18952 1080 1 12 . 1 1 51 51 LEU H H 51 7.880 7.880 7.934 -0.054 18952 1081 1 13 . 1 1 2 2 GLU N N 2 121.800 121.800 122.528 -0.728 18952 1082 1 13 . 1 1 2 2 GLU H H 2 9.240 9.240 8.884 0.356 18952 1083 1 13 . 1 1 3 3 LYS N N 3 120.200 120.200 118.743 1.457 18952 1084 1 13 . 1 1 3 3 LYS H H 3 8.270 8.270 8.424 -0.154 18952 1085 1 13 . 1 1 4 4 VAL N N 4 117.600 117.600 120.209 -2.609 18952 1086 1 13 . 1 1 4 4 VAL H H 4 7.750 7.750 7.366 0.384 18952 1087 1 13 . 1 1 5 5 GLN N N 5 120.800 120.800 118.675 2.125 18952 1088 1 13 . 1 1 5 5 GLN H H 5 8.190 8.190 8.022 0.168 18952 1089 1 13 . 1 1 6 6 TYR N N 6 119.300 119.300 121.801 -2.501 18952 1090 1 13 . 1 1 6 6 TYR H H 6 8.020 8.020 7.773 0.247 18952 1091 1 13 . 1 1 7 7 LEU N N 7 120.400 120.400 120.094 0.306 18952 1092 1 13 . 1 1 7 7 LEU H H 7 8.110 8.110 8.574 -0.464 18952 1093 1 13 . 1 1 8 8 THR N N 8 111.200 111.200 115.828 -4.628 18952 1094 1 13 . 1 1 8 8 THR H H 8 7.890 7.890 8.606 -0.716 18952 1095 1 13 . 1 1 9 9 ARG N N 9 120.700 120.700 121.613 -0.913 18952 1096 1 13 . 1 1 9 9 ARG H H 9 8.220 8.220 7.778 0.442 18952 1097 1 13 . 1 1 10 10 SER N N 10 114.500 114.500 115.020 -0.520 18952 1098 1 13 . 1 1 10 10 SER H H 10 7.990 7.990 8.065 -0.075 18952 1099 1 13 . 1 1 11 11 ALA N N 11 124.000 124.000 124.561 -0.561 18952 1100 1 13 . 1 1 11 11 ALA H H 11 8.060 8.060 8.161 -0.101 18952 1101 1 13 . 1 1 12 12 ILE N N 12 115.900 115.900 118.937 -3.037 18952 1102 1 13 . 1 1 12 12 ILE H H 12 7.780 7.780 7.937 -0.157 18952 1103 1 13 . 1 1 13 13 ARG N N 13 121.100 121.100 118.796 2.304 18952 1104 1 13 . 1 1 13 13 ARG H H 13 7.910 7.910 8.026 -0.116 18952 1105 1 13 . 1 1 14 14 ARG N N 14 120.270 120.270 117.535 2.735 18952 1106 1 13 . 1 1 14 14 ARG H H 14 8.060 8.060 7.514 0.546 18952 1107 1 13 . 1 1 18 18 ILE N N 18 122.100 122.100 121.125 0.975 18952 1108 1 13 . 1 1 18 18 ILE H H 18 7.720 7.720 7.983 -0.263 18952 1109 1 13 . 1 1 19 19 GLU N N 19 124.800 124.800 120.175 4.625 18952 1110 1 13 . 1 1 19 19 GLU H H 19 8.250 8.250 7.816 0.434 18952 1111 1 13 . 1 1 20 20 MET N N 20 122.700 122.700 121.514 1.186 18952 1112 1 13 . 1 1 20 20 MET H H 20 8.480 8.480 8.477 0.003 18952 1113 1 13 . 1 1 22 22 GLN N N 22 121.600 121.600 115.865 5.735 18952 1114 1 13 . 1 1 22 22 GLN H H 22 8.710 8.710 8.561 0.149 18952 1115 1 13 . 1 1 23 23 GLN N N 23 119.000 119.000 118.340 0.660 18952 1116 1 13 . 1 1 23 23 GLN H H 23 8.620 8.620 7.793 0.827 18952 1117 1 13 . 1 1 24 24 ALA N N 24 122.400 122.400 122.056 0.344 18952 1118 1 13 . 1 1 24 24 ALA H H 24 7.840 7.840 7.604 0.236 18952 1119 1 13 . 1 1 26 26 GLN N N 26 118.340 118.340 120.120 -1.780 18952 1120 1 13 . 1 1 26 26 GLN H H 26 8.780 8.780 8.873 -0.093 18952 1121 1 13 . 1 1 27 27 ASN N N 27 117.920 117.920 117.842 0.078 18952 1122 1 13 . 1 1 27 27 ASN H H 27 8.000 8.000 8.071 -0.071 18952 1123 1 13 . 1 1 28 28 LEU N N 28 121.400 121.400 120.669 0.731 18952 1124 1 13 . 1 1 28 28 LEU H H 28 8.210 8.210 7.704 0.506 18952 1125 1 13 . 1 1 29 29 GLN N N 29 117.930 117.930 118.504 -0.574 18952 1126 1 13 . 1 1 29 29 GLN H H 29 8.130 8.130 8.282 -0.152 18952 1127 1 13 . 1 1 30 30 ASN N N 30 117.040 117.040 119.116 -2.076 18952 1128 1 13 . 1 1 30 30 ASN H H 30 8.100 8.100 8.137 -0.037 18952 1129 1 13 . 1 1 31 31 LEU N N 31 121.200 121.200 120.848 0.352 18952 1130 1 13 . 1 1 31 31 LEU H H 31 8.060 8.060 7.336 0.724 18952 1131 1 13 . 1 1 32 32 PHE N N 32 118.310 118.310 118.435 -0.125 18952 1132 1 13 . 1 1 32 32 PHE H H 32 8.450 8.450 7.260 1.190 18952 1133 1 13 . 1 1 33 33 ILE N N 33 119.700 119.700 119.764 -0.064 18952 1134 1 13 . 1 1 33 33 ILE H H 33 8.420 8.420 8.926 -0.506 18952 1135 1 13 . 1 1 34 34 ASN N N 34 117.580 117.580 118.735 -1.155 18952 1136 1 13 . 1 1 34 34 ASN H H 34 8.030 8.030 8.611 -0.581 18952 1137 1 13 . 1 1 35 35 PHE N N 35 119.400 119.400 121.715 -2.315 18952 1138 1 13 . 1 1 35 35 PHE H H 35 8.570 8.570 8.405 0.165 18952 1139 1 13 . 1 1 36 36 CYS N N 36 116.680 116.680 119.010 -2.330 18952 1140 1 13 . 1 1 36 36 CYS H H 36 8.160 8.160 7.894 0.266 18952 1141 1 13 . 1 1 37 37 LEU N N 37 118.190 118.190 121.077 -2.887 18952 1142 1 13 . 1 1 37 37 LEU H H 37 8.170 8.170 8.546 -0.376 18952 1143 1 13 . 1 1 38 38 ILE N N 38 119.700 119.700 119.277 0.423 18952 1144 1 13 . 1 1 38 38 ILE H H 38 8.390 8.390 8.429 -0.039 18952 1145 1 13 . 1 1 39 39 LEU N N 39 119.400 119.400 120.403 -1.003 18952 1146 1 13 . 1 1 39 39 LEU H H 39 7.990 7.990 7.846 0.144 18952 1147 1 13 . 1 1 40 40 ILE N N 40 119.250 119.250 120.014 -0.764 18952 1148 1 13 . 1 1 40 40 ILE H H 40 8.140 8.140 8.355 -0.215 18952 1149 1 13 . 1 1 41 41 CYS N N 41 117.800 117.800 119.328 -1.528 18952 1150 1 13 . 1 1 41 41 CYS H H 41 7.980 7.980 8.637 -0.657 18952 1151 1 13 . 1 1 42 42 LEU N N 42 117.900 117.900 119.984 -2.084 18952 1152 1 13 . 1 1 42 42 LEU H H 42 8.290 8.290 8.322 -0.032 18952 1153 1 13 . 1 1 43 43 LEU N N 43 119.700 119.700 120.727 -1.027 18952 1154 1 13 . 1 1 43 43 LEU H H 43 8.390 8.390 8.080 0.310 18952 1155 1 13 . 1 1 44 44 LEU N N 44 117.800 117.800 120.040 -2.240 18952 1156 1 13 . 1 1 44 44 LEU H H 44 8.180 8.180 8.600 -0.420 18952 1157 1 13 . 1 1 45 45 ILE N N 45 117.690 117.690 119.506 -1.816 18952 1158 1 13 . 1 1 45 45 ILE H H 45 8.170 8.170 7.878 0.292 18952 1159 1 13 . 1 1 46 46 CYS N N 46 117.020 117.020 118.757 -1.737 18952 1160 1 13 . 1 1 46 46 CYS H H 46 8.150 8.150 7.839 0.311 18952 1161 1 13 . 1 1 47 47 ILE N N 47 117.300 117.300 121.467 -4.167 18952 1162 1 13 . 1 1 47 47 ILE H H 47 8.230 8.230 8.549 -0.319 18952 1163 1 13 . 1 1 48 48 ILE N N 48 117.690 117.690 120.251 -2.561 18952 1164 1 13 . 1 1 48 48 ILE H H 48 8.200 8.200 8.232 -0.032 18952 1165 1 13 . 1 1 49 49 VAL N N 49 115.700 115.700 120.345 -4.645 18952 1166 1 13 . 1 1 49 49 VAL H H 49 8.340 8.340 8.186 0.154 18952 1167 1 13 . 1 1 50 50 MET N N 50 115.500 115.500 117.346 -1.846 18952 1168 1 13 . 1 1 50 50 MET H H 50 7.920 7.920 8.190 -0.270 18952 1169 1 13 . 1 1 51 51 LEU N N 51 118.100 118.100 119.414 -1.314 18952 1170 1 13 . 1 1 51 51 LEU H H 51 7.880 7.880 7.862 0.018 18952 1171 1 14 . 1 1 2 2 GLU N N 2 121.800 121.800 122.729 -0.929 18952 1172 1 14 . 1 1 2 2 GLU H H 2 9.240 9.240 8.913 0.327 18952 1173 1 14 . 1 1 3 3 LYS N N 3 120.200 120.200 119.202 0.998 18952 1174 1 14 . 1 1 3 3 LYS H H 3 8.270 8.270 8.370 -0.100 18952 1175 1 14 . 1 1 4 4 VAL N N 4 117.600 117.600 120.403 -2.803 18952 1176 1 14 . 1 1 4 4 VAL H H 4 7.750 7.750 7.879 -0.129 18952 1177 1 14 . 1 1 5 5 GLN N N 5 120.800 120.800 119.161 1.639 18952 1178 1 14 . 1 1 5 5 GLN H H 5 8.190 8.190 8.513 -0.323 18952 1179 1 14 . 1 1 6 6 TYR N N 6 119.300 119.300 122.468 -3.168 18952 1180 1 14 . 1 1 6 6 TYR H H 6 8.020 8.020 8.362 -0.342 18952 1181 1 14 . 1 1 7 7 LEU N N 7 120.400 120.400 119.827 0.573 18952 1182 1 14 . 1 1 7 7 LEU H H 7 8.110 8.110 8.457 -0.347 18952 1183 1 14 . 1 1 8 8 THR N N 8 111.200 111.200 115.936 -4.736 18952 1184 1 14 . 1 1 8 8 THR H H 8 7.890 7.890 8.279 -0.389 18952 1185 1 14 . 1 1 9 9 ARG N N 9 120.700 120.700 121.627 -0.927 18952 1186 1 14 . 1 1 9 9 ARG H H 9 8.220 8.220 8.267 -0.047 18952 1187 1 14 . 1 1 10 10 SER N N 10 114.500 114.500 115.455 -0.955 18952 1188 1 14 . 1 1 10 10 SER H H 10 7.990 7.990 8.198 -0.208 18952 1189 1 14 . 1 1 11 11 ALA N N 11 124.000 124.000 125.009 -1.009 18952 1190 1 14 . 1 1 11 11 ALA H H 11 8.060 8.060 8.093 -0.033 18952 1191 1 14 . 1 1 12 12 ILE N N 12 115.900 115.900 118.429 -2.529 18952 1192 1 14 . 1 1 12 12 ILE H H 12 7.780 7.780 7.817 -0.037 18952 1193 1 14 . 1 1 13 13 ARG N N 13 121.100 121.100 118.788 2.312 18952 1194 1 14 . 1 1 13 13 ARG H H 13 7.910 7.910 8.008 -0.098 18952 1195 1 14 . 1 1 14 14 ARG N N 14 120.270 120.270 119.713 0.557 18952 1196 1 14 . 1 1 14 14 ARG H H 14 8.060 8.060 8.208 -0.148 18952 1197 1 14 . 1 1 18 18 ILE N N 18 122.100 122.100 121.119 0.981 18952 1198 1 14 . 1 1 18 18 ILE H H 18 7.720 7.720 7.897 -0.177 18952 1199 1 14 . 1 1 19 19 GLU N N 19 124.800 124.800 117.518 7.282 18952 1200 1 14 . 1 1 19 19 GLU H H 19 8.250 8.250 9.038 -0.788 18952 1201 1 14 . 1 1 20 20 MET N N 20 122.700 122.700 115.102 7.598 18952 1202 1 14 . 1 1 20 20 MET H H 20 8.480 8.480 8.145 0.335 18952 1203 1 14 . 1 1 22 22 GLN N N 22 121.600 121.600 116.284 5.316 18952 1204 1 14 . 1 1 22 22 GLN H H 22 8.710 8.710 8.508 0.202 18952 1205 1 14 . 1 1 23 23 GLN N N 23 119.000 119.000 120.363 -1.363 18952 1206 1 14 . 1 1 23 23 GLN H H 23 8.620 8.620 7.346 1.274 18952 1207 1 14 . 1 1 24 24 ALA N N 24 122.400 122.400 126.682 -4.282 18952 1208 1 14 . 1 1 24 24 ALA H H 24 7.840 7.840 8.017 -0.177 18952 1209 1 14 . 1 1 26 26 GLN N N 26 118.340 118.340 122.012 -3.672 18952 1210 1 14 . 1 1 26 26 GLN H H 26 8.780 8.780 8.842 -0.062 18952 1211 1 14 . 1 1 27 27 ASN N N 27 117.920 117.920 118.027 -0.107 18952 1212 1 14 . 1 1 27 27 ASN H H 27 8.000 8.000 7.984 0.016 18952 1213 1 14 . 1 1 28 28 LEU N N 28 121.400 121.400 120.051 1.349 18952 1214 1 14 . 1 1 28 28 LEU H H 28 8.210 8.210 7.860 0.350 18952 1215 1 14 . 1 1 29 29 GLN N N 29 117.930 117.930 118.874 -0.944 18952 1216 1 14 . 1 1 29 29 GLN H H 29 8.130 8.130 7.820 0.310 18952 1217 1 14 . 1 1 30 30 ASN N N 30 117.040 117.040 119.261 -2.221 18952 1218 1 14 . 1 1 30 30 ASN H H 30 8.100 8.100 8.502 -0.402 18952 1219 1 14 . 1 1 31 31 LEU N N 31 121.200 121.200 121.106 0.094 18952 1220 1 14 . 1 1 31 31 LEU H H 31 8.060 8.060 7.933 0.127 18952 1221 1 14 . 1 1 32 32 PHE N N 32 118.310 118.310 118.117 0.193 18952 1222 1 14 . 1 1 32 32 PHE H H 32 8.450 8.450 7.322 1.128 18952 1223 1 14 . 1 1 33 33 ILE N N 33 119.700 119.700 119.793 -0.093 18952 1224 1 14 . 1 1 33 33 ILE H H 33 8.420 8.420 8.766 -0.346 18952 1225 1 14 . 1 1 34 34 ASN N N 34 117.580 117.580 118.442 -0.862 18952 1226 1 14 . 1 1 34 34 ASN H H 34 8.030 8.030 8.364 -0.334 18952 1227 1 14 . 1 1 35 35 PHE N N 35 119.400 119.400 121.696 -2.296 18952 1228 1 14 . 1 1 35 35 PHE H H 35 8.570 8.570 7.791 0.779 18952 1229 1 14 . 1 1 36 36 CYS N N 36 116.680 116.680 118.840 -2.160 18952 1230 1 14 . 1 1 36 36 CYS H H 36 8.160 8.160 7.910 0.250 18952 1231 1 14 . 1 1 37 37 LEU N N 37 118.190 118.190 121.010 -2.820 18952 1232 1 14 . 1 1 37 37 LEU H H 37 8.170 8.170 8.564 -0.394 18952 1233 1 14 . 1 1 38 38 ILE N N 38 119.700 119.700 119.123 0.577 18952 1234 1 14 . 1 1 38 38 ILE H H 38 8.390 8.390 8.481 -0.091 18952 1235 1 14 . 1 1 39 39 LEU N N 39 119.400 119.400 120.122 -0.722 18952 1236 1 14 . 1 1 39 39 LEU H H 39 7.990 7.990 7.717 0.273 18952 1237 1 14 . 1 1 40 40 ILE N N 40 119.250 119.250 119.486 -0.236 18952 1238 1 14 . 1 1 40 40 ILE H H 40 8.140 8.140 8.265 -0.125 18952 1239 1 14 . 1 1 41 41 CYS N N 41 117.800 117.800 118.808 -1.008 18952 1240 1 14 . 1 1 41 41 CYS H H 41 7.980 7.980 8.363 -0.383 18952 1241 1 14 . 1 1 42 42 LEU N N 42 117.900 117.900 120.133 -2.233 18952 1242 1 14 . 1 1 42 42 LEU H H 42 8.290 8.290 8.311 -0.021 18952 1243 1 14 . 1 1 43 43 LEU N N 43 119.700 119.700 119.733 -0.033 18952 1244 1 14 . 1 1 43 43 LEU H H 43 8.390 8.390 7.997 0.393 18952 1245 1 14 . 1 1 44 44 LEU N N 44 117.800 117.800 120.495 -2.695 18952 1246 1 14 . 1 1 44 44 LEU H H 44 8.180 8.180 8.121 0.059 18952 1247 1 14 . 1 1 45 45 ILE N N 45 117.690 117.690 120.753 -3.063 18952 1248 1 14 . 1 1 45 45 ILE H H 45 8.170 8.170 8.012 0.158 18952 1249 1 14 . 1 1 46 46 CYS N N 46 117.020 117.020 118.284 -1.264 18952 1250 1 14 . 1 1 46 46 CYS H H 46 8.150 8.150 7.775 0.375 18952 1251 1 14 . 1 1 47 47 ILE N N 47 117.300 117.300 120.942 -3.642 18952 1252 1 14 . 1 1 47 47 ILE H H 47 8.230 8.230 7.538 0.692 18952 1253 1 14 . 1 1 48 48 ILE N N 48 117.690 117.690 120.637 -2.947 18952 1254 1 14 . 1 1 48 48 ILE H H 48 8.200 8.200 8.368 -0.168 18952 1255 1 14 . 1 1 49 49 VAL N N 49 115.700 115.700 120.284 -4.584 18952 1256 1 14 . 1 1 49 49 VAL H H 49 8.340 8.340 8.352 -0.012 18952 1257 1 14 . 1 1 50 50 MET N N 50 115.500 115.500 118.110 -2.610 18952 1258 1 14 . 1 1 50 50 MET H H 50 7.920 7.920 8.088 -0.168 18952 1259 1 14 . 1 1 51 51 LEU N N 51 118.100 118.100 119.568 -1.468 18952 1260 1 14 . 1 1 51 51 LEU H H 51 7.880 7.880 8.045 -0.165 18952 1261 1 15 . 1 1 2 2 GLU N N 2 121.800 121.800 121.299 0.501 18952 1262 1 15 . 1 1 2 2 GLU H H 2 9.240 9.240 8.729 0.511 18952 1263 1 15 . 1 1 3 3 LYS N N 3 120.200 120.200 119.288 0.912 18952 1264 1 15 . 1 1 3 3 LYS H H 3 8.270 8.270 8.367 -0.097 18952 1265 1 15 . 1 1 4 4 VAL N N 4 117.600 117.600 120.401 -2.801 18952 1266 1 15 . 1 1 4 4 VAL H H 4 7.750 7.750 7.895 -0.145 18952 1267 1 15 . 1 1 5 5 GLN N N 5 120.800 120.800 119.274 1.526 18952 1268 1 15 . 1 1 5 5 GLN H H 5 8.190 8.190 8.521 -0.331 18952 1269 1 15 . 1 1 6 6 TYR N N 6 119.300 119.300 122.391 -3.091 18952 1270 1 15 . 1 1 6 6 TYR H H 6 8.020 8.020 8.401 -0.381 18952 1271 1 15 . 1 1 7 7 LEU N N 7 120.400 120.400 119.797 0.603 18952 1272 1 15 . 1 1 7 7 LEU H H 7 8.110 8.110 8.405 -0.295 18952 1273 1 15 . 1 1 8 8 THR N N 8 111.200 111.200 115.987 -4.787 18952 1274 1 15 . 1 1 8 8 THR H H 8 7.890 7.890 8.295 -0.405 18952 1275 1 15 . 1 1 9 9 ARG N N 9 120.700 120.700 121.612 -0.912 18952 1276 1 15 . 1 1 9 9 ARG H H 9 8.220 8.220 8.295 -0.075 18952 1277 1 15 . 1 1 10 10 SER N N 10 114.500 114.500 115.249 -0.749 18952 1278 1 15 . 1 1 10 10 SER H H 10 7.990 7.990 8.169 -0.179 18952 1279 1 15 . 1 1 11 11 ALA N N 11 124.000 124.000 124.827 -0.827 18952 1280 1 15 . 1 1 11 11 ALA H H 11 8.060 8.060 8.052 0.008 18952 1281 1 15 . 1 1 12 12 ILE N N 12 115.900 115.900 118.500 -2.600 18952 1282 1 15 . 1 1 12 12 ILE H H 12 7.780 7.780 7.939 -0.159 18952 1283 1 15 . 1 1 13 13 ARG N N 13 121.100 121.100 118.767 2.333 18952 1284 1 15 . 1 1 13 13 ARG H H 13 7.910 7.910 7.993 -0.083 18952 1285 1 15 . 1 1 14 14 ARG N N 14 120.270 120.270 119.502 0.768 18952 1286 1 15 . 1 1 14 14 ARG H H 14 8.060 8.060 7.962 0.098 18952 1287 1 15 . 1 1 18 18 ILE N N 18 122.100 122.100 120.004 2.096 18952 1288 1 15 . 1 1 18 18 ILE H H 18 7.720 7.720 8.204 -0.484 18952 1289 1 15 . 1 1 19 19 GLU N N 19 124.800 124.800 127.419 -2.619 18952 1290 1 15 . 1 1 19 19 GLU H H 19 8.250 8.250 8.390 -0.140 18952 1291 1 15 . 1 1 20 20 MET N N 20 122.700 122.700 120.954 1.746 18952 1292 1 15 . 1 1 20 20 MET H H 20 8.480 8.480 8.543 -0.063 18952 1293 1 15 . 1 1 22 22 GLN N N 22 121.600 121.600 119.821 1.779 18952 1294 1 15 . 1 1 22 22 GLN H H 22 8.710 8.710 8.759 -0.049 18952 1295 1 15 . 1 1 23 23 GLN N N 23 119.000 119.000 116.739 2.261 18952 1296 1 15 . 1 1 23 23 GLN H H 23 8.620 8.620 7.713 0.907 18952 1297 1 15 . 1 1 24 24 ALA N N 24 122.400 122.400 121.660 0.740 18952 1298 1 15 . 1 1 24 24 ALA H H 24 7.840 7.840 8.266 -0.426 18952 1299 1 15 . 1 1 26 26 GLN N N 26 118.340 118.340 119.837 -1.497 18952 1300 1 15 . 1 1 26 26 GLN H H 26 8.780 8.780 8.347 0.433 18952 1301 1 15 . 1 1 27 27 ASN N N 27 117.920 117.920 117.854 0.066 18952 1302 1 15 . 1 1 27 27 ASN H H 27 8.000 8.000 7.799 0.201 18952 1303 1 15 . 1 1 28 28 LEU N N 28 121.400 121.400 120.542 0.858 18952 1304 1 15 . 1 1 28 28 LEU H H 28 8.210 8.210 8.279 -0.069 18952 1305 1 15 . 1 1 29 29 GLN N N 29 117.930 117.930 119.044 -1.114 18952 1306 1 15 . 1 1 29 29 GLN H H 29 8.130 8.130 8.675 -0.545 18952 1307 1 15 . 1 1 30 30 ASN N N 30 117.040 117.040 119.773 -2.733 18952 1308 1 15 . 1 1 30 30 ASN H H 30 8.100 8.100 8.371 -0.271 18952 1309 1 15 . 1 1 31 31 LEU N N 31 121.200 121.200 121.308 -0.108 18952 1310 1 15 . 1 1 31 31 LEU H H 31 8.060 8.060 7.900 0.160 18952 1311 1 15 . 1 1 32 32 PHE N N 32 118.310 118.310 118.594 -0.284 18952 1312 1 15 . 1 1 32 32 PHE H H 32 8.450 8.450 7.715 0.735 18952 1313 1 15 . 1 1 33 33 ILE N N 33 119.700 119.700 119.685 0.015 18952 1314 1 15 . 1 1 33 33 ILE H H 33 8.420 8.420 9.007 -0.587 18952 1315 1 15 . 1 1 34 34 ASN N N 34 117.580 117.580 118.574 -0.994 18952 1316 1 15 . 1 1 34 34 ASN H H 34 8.030 8.030 8.149 -0.119 18952 1317 1 15 . 1 1 35 35 PHE N N 35 119.400 119.400 121.526 -2.126 18952 1318 1 15 . 1 1 35 35 PHE H H 35 8.570 8.570 8.503 0.067 18952 1319 1 15 . 1 1 36 36 CYS N N 36 116.680 116.680 118.727 -2.047 18952 1320 1 15 . 1 1 36 36 CYS H H 36 8.160 8.160 8.319 -0.159 18952 1321 1 15 . 1 1 37 37 LEU N N 37 118.190 118.190 121.010 -2.820 18952 1322 1 15 . 1 1 37 37 LEU H H 37 8.170 8.170 8.598 -0.428 18952 1323 1 15 . 1 1 38 38 ILE N N 38 119.700 119.700 119.043 0.657 18952 1324 1 15 . 1 1 38 38 ILE H H 38 8.390 8.390 8.320 0.070 18952 1325 1 15 . 1 1 39 39 LEU N N 39 119.400 119.400 120.226 -0.826 18952 1326 1 15 . 1 1 39 39 LEU H H 39 7.990 7.990 7.662 0.328 18952 1327 1 15 . 1 1 40 40 ILE N N 40 119.250 119.250 119.644 -0.394 18952 1328 1 15 . 1 1 40 40 ILE H H 40 8.140 8.140 8.255 -0.115 18952 1329 1 15 . 1 1 41 41 CYS N N 41 117.800 117.800 119.061 -1.261 18952 1330 1 15 . 1 1 41 41 CYS H H 41 7.980 7.980 8.445 -0.465 18952 1331 1 15 . 1 1 42 42 LEU N N 42 117.900 117.900 119.892 -1.992 18952 1332 1 15 . 1 1 42 42 LEU H H 42 8.290 8.290 8.236 0.054 18952 1333 1 15 . 1 1 43 43 LEU N N 43 119.700 119.700 120.380 -0.680 18952 1334 1 15 . 1 1 43 43 LEU H H 43 8.390 8.390 8.170 0.220 18952 1335 1 15 . 1 1 44 44 LEU N N 44 117.800 117.800 119.697 -1.897 18952 1336 1 15 . 1 1 44 44 LEU H H 44 8.180 8.180 8.485 -0.305 18952 1337 1 15 . 1 1 45 45 ILE N N 45 117.690 117.690 119.222 -1.532 18952 1338 1 15 . 1 1 45 45 ILE H H 45 8.170 8.170 7.697 0.473 18952 1339 1 15 . 1 1 46 46 CYS N N 46 117.020 117.020 118.702 -1.682 18952 1340 1 15 . 1 1 46 46 CYS H H 46 8.150 8.150 7.766 0.384 18952 1341 1 15 . 1 1 47 47 ILE N N 47 117.300 117.300 121.384 -4.084 18952 1342 1 15 . 1 1 47 47 ILE H H 47 8.230 8.230 8.011 0.219 18952 1343 1 15 . 1 1 48 48 ILE N N 48 117.690 117.690 120.676 -2.986 18952 1344 1 15 . 1 1 48 48 ILE H H 48 8.200 8.200 8.334 -0.134 18952 1345 1 15 . 1 1 49 49 VAL N N 49 115.700 115.700 120.214 -4.514 18952 1346 1 15 . 1 1 49 49 VAL H H 49 8.340 8.340 8.344 -0.004 18952 1347 1 15 . 1 1 50 50 MET N N 50 115.500 115.500 118.234 -2.734 18952 1348 1 15 . 1 1 50 50 MET H H 50 7.920 7.920 8.150 -0.230 18952 1349 1 15 . 1 1 51 51 LEU N N 51 118.100 118.100 119.983 -1.883 18952 1350 1 15 . 1 1 51 51 LEU H H 51 7.880 7.880 7.917 -0.037 18952 1351 1 16 . 1 1 2 2 GLU N N 2 121.800 121.800 122.770 -0.970 18952 1352 1 16 . 1 1 2 2 GLU H H 2 9.240 9.240 8.926 0.314 18952 1353 1 16 . 1 1 3 3 LYS N N 3 120.200 120.200 119.869 0.331 18952 1354 1 16 . 1 1 3 3 LYS H H 3 8.270 8.270 8.366 -0.096 18952 1355 1 16 . 1 1 4 4 VAL N N 4 117.600 117.600 120.458 -2.858 18952 1356 1 16 . 1 1 4 4 VAL H H 4 7.750 7.750 7.896 -0.146 18952 1357 1 16 . 1 1 5 5 GLN N N 5 120.800 120.800 119.247 1.553 18952 1358 1 16 . 1 1 5 5 GLN H H 5 8.190 8.190 8.650 -0.460 18952 1359 1 16 . 1 1 6 6 TYR N N 6 119.300 119.300 122.206 -2.906 18952 1360 1 16 . 1 1 6 6 TYR H H 6 8.020 8.020 8.420 -0.400 18952 1361 1 16 . 1 1 7 7 LEU N N 7 120.400 120.400 119.893 0.507 18952 1362 1 16 . 1 1 7 7 LEU H H 7 8.110 8.110 8.533 -0.423 18952 1363 1 16 . 1 1 8 8 THR N N 8 111.200 111.200 116.120 -4.920 18952 1364 1 16 . 1 1 8 8 THR H H 8 7.890 7.890 8.390 -0.500 18952 1365 1 16 . 1 1 9 9 ARG N N 9 120.700 120.700 121.651 -0.951 18952 1366 1 16 . 1 1 9 9 ARG H H 9 8.220 8.220 8.294 -0.074 18952 1367 1 16 . 1 1 10 10 SER N N 10 114.500 114.500 115.120 -0.620 18952 1368 1 16 . 1 1 10 10 SER H H 10 7.990 7.990 8.160 -0.170 18952 1369 1 16 . 1 1 11 11 ALA N N 11 124.000 124.000 124.923 -0.923 18952 1370 1 16 . 1 1 11 11 ALA H H 11 8.060 8.060 8.197 -0.137 18952 1371 1 16 . 1 1 12 12 ILE N N 12 115.900 115.900 118.618 -2.718 18952 1372 1 16 . 1 1 12 12 ILE H H 12 7.780 7.780 8.093 -0.313 18952 1373 1 16 . 1 1 13 13 ARG N N 13 121.100 121.100 118.679 2.421 18952 1374 1 16 . 1 1 13 13 ARG H H 13 7.910 7.910 7.971 -0.061 18952 1375 1 16 . 1 1 14 14 ARG N N 14 120.270 120.270 119.401 0.869 18952 1376 1 16 . 1 1 14 14 ARG H H 14 8.060 8.060 8.113 -0.053 18952 1377 1 16 . 1 1 18 18 ILE N N 18 122.100 122.100 120.055 2.045 18952 1378 1 16 . 1 1 18 18 ILE H H 18 7.720 7.720 8.007 -0.287 18952 1379 1 16 . 1 1 19 19 GLU N N 19 124.800 124.800 123.209 1.591 18952 1380 1 16 . 1 1 19 19 GLU H H 19 8.250 8.250 7.860 0.390 18952 1381 1 16 . 1 1 20 20 MET N N 20 122.700 122.700 122.822 -0.122 18952 1382 1 16 . 1 1 20 20 MET H H 20 8.480 8.480 8.157 0.323 18952 1383 1 16 . 1 1 22 22 GLN N N 22 121.600 121.600 117.820 3.780 18952 1384 1 16 . 1 1 22 22 GLN H H 22 8.710 8.710 8.281 0.429 18952 1385 1 16 . 1 1 23 23 GLN N N 23 119.000 119.000 118.382 0.618 18952 1386 1 16 . 1 1 23 23 GLN H H 23 8.620 8.620 7.494 1.126 18952 1387 1 16 . 1 1 24 24 ALA N N 24 122.400 122.400 123.702 -1.302 18952 1388 1 16 . 1 1 24 24 ALA H H 24 7.840 7.840 7.532 0.308 18952 1389 1 16 . 1 1 26 26 GLN N N 26 118.340 118.340 119.565 -1.225 18952 1390 1 16 . 1 1 26 26 GLN H H 26 8.780 8.780 8.730 0.050 18952 1391 1 16 . 1 1 27 27 ASN N N 27 117.920 117.920 118.210 -0.290 18952 1392 1 16 . 1 1 27 27 ASN H H 27 8.000 8.000 8.388 -0.388 18952 1393 1 16 . 1 1 28 28 LEU N N 28 121.400 121.400 119.325 2.075 18952 1394 1 16 . 1 1 28 28 LEU H H 28 8.210 8.210 8.079 0.131 18952 1395 1 16 . 1 1 29 29 GLN N N 29 117.930 117.930 118.877 -0.947 18952 1396 1 16 . 1 1 29 29 GLN H H 29 8.130 8.130 7.557 0.573 18952 1397 1 16 . 1 1 30 30 ASN N N 30 117.040 117.040 119.896 -2.856 18952 1398 1 16 . 1 1 30 30 ASN H H 30 8.100 8.100 8.320 -0.220 18952 1399 1 16 . 1 1 31 31 LEU N N 31 121.200 121.200 121.376 -0.176 18952 1400 1 16 . 1 1 31 31 LEU H H 31 8.060 8.060 7.744 0.316 18952 1401 1 16 . 1 1 32 32 PHE N N 32 118.310 118.310 118.503 -0.193 18952 1402 1 16 . 1 1 32 32 PHE H H 32 8.450 8.450 7.409 1.041 18952 1403 1 16 . 1 1 33 33 ILE N N 33 119.700 119.700 119.779 -0.079 18952 1404 1 16 . 1 1 33 33 ILE H H 33 8.420 8.420 8.988 -0.568 18952 1405 1 16 . 1 1 34 34 ASN N N 34 117.580 117.580 118.608 -1.028 18952 1406 1 16 . 1 1 34 34 ASN H H 34 8.030 8.030 8.393 -0.363 18952 1407 1 16 . 1 1 35 35 PHE N N 35 119.400 119.400 121.590 -2.190 18952 1408 1 16 . 1 1 35 35 PHE H H 35 8.570 8.570 8.479 0.091 18952 1409 1 16 . 1 1 36 36 CYS N N 36 116.680 116.680 118.805 -2.125 18952 1410 1 16 . 1 1 36 36 CYS H H 36 8.160 8.160 8.235 -0.075 18952 1411 1 16 . 1 1 37 37 LEU N N 37 118.190 118.190 121.037 -2.847 18952 1412 1 16 . 1 1 37 37 LEU H H 37 8.170 8.170 8.561 -0.391 18952 1413 1 16 . 1 1 38 38 ILE N N 38 119.700 119.700 119.388 0.312 18952 1414 1 16 . 1 1 38 38 ILE H H 38 8.390 8.390 8.319 0.071 18952 1415 1 16 . 1 1 39 39 LEU N N 39 119.400 119.400 120.313 -0.913 18952 1416 1 16 . 1 1 39 39 LEU H H 39 7.990 7.990 7.857 0.133 18952 1417 1 16 . 1 1 40 40 ILE N N 40 119.250 119.250 119.935 -0.685 18952 1418 1 16 . 1 1 40 40 ILE H H 40 8.140 8.140 8.395 -0.255 18952 1419 1 16 . 1 1 41 41 CYS N N 41 117.800 117.800 119.127 -1.327 18952 1420 1 16 . 1 1 41 41 CYS H H 41 7.980 7.980 8.544 -0.564 18952 1421 1 16 . 1 1 42 42 LEU N N 42 117.900 117.900 119.863 -1.963 18952 1422 1 16 . 1 1 42 42 LEU H H 42 8.290 8.290 8.248 0.042 18952 1423 1 16 . 1 1 43 43 LEU N N 43 119.700 119.700 120.729 -1.029 18952 1424 1 16 . 1 1 43 43 LEU H H 43 8.390 8.390 7.956 0.434 18952 1425 1 16 . 1 1 44 44 LEU N N 44 117.800 117.800 119.879 -2.079 18952 1426 1 16 . 1 1 44 44 LEU H H 44 8.180 8.180 8.583 -0.403 18952 1427 1 16 . 1 1 45 45 ILE N N 45 117.690 117.690 119.372 -1.682 18952 1428 1 16 . 1 1 45 45 ILE H H 45 8.170 8.170 7.661 0.509 18952 1429 1 16 . 1 1 46 46 CYS N N 46 117.020 117.020 118.684 -1.664 18952 1430 1 16 . 1 1 46 46 CYS H H 46 8.150 8.150 7.755 0.395 18952 1431 1 16 . 1 1 47 47 ILE N N 47 117.300 117.300 121.738 -4.438 18952 1432 1 16 . 1 1 47 47 ILE H H 47 8.230 8.230 8.597 -0.367 18952 1433 1 16 . 1 1 48 48 ILE N N 48 117.690 117.690 120.336 -2.646 18952 1434 1 16 . 1 1 48 48 ILE H H 48 8.200 8.200 8.141 0.059 18952 1435 1 16 . 1 1 49 49 VAL N N 49 115.700 115.700 120.180 -4.480 18952 1436 1 16 . 1 1 49 49 VAL H H 49 8.340 8.340 8.067 0.273 18952 1437 1 16 . 1 1 50 50 MET N N 50 115.500 115.500 118.312 -2.812 18952 1438 1 16 . 1 1 50 50 MET H H 50 7.920 7.920 8.201 -0.281 18952 1439 1 16 . 1 1 51 51 LEU N N 51 118.100 118.100 120.025 -1.925 18952 1440 1 16 . 1 1 51 51 LEU H H 51 7.880 7.880 7.843 0.037 18952 1441 1 17 . 1 1 2 2 GLU N N 2 121.800 121.800 122.786 -0.986 18952 1442 1 17 . 1 1 2 2 GLU H H 2 9.240 9.240 8.923 0.317 18952 1443 1 17 . 1 1 3 3 LYS N N 3 120.200 120.200 119.785 0.415 18952 1444 1 17 . 1 1 3 3 LYS H H 3 8.270 8.270 8.373 -0.103 18952 1445 1 17 . 1 1 4 4 VAL N N 4 117.600 117.600 120.731 -3.131 18952 1446 1 17 . 1 1 4 4 VAL H H 4 7.750 7.750 7.898 -0.148 18952 1447 1 17 . 1 1 5 5 GLN N N 5 120.800 120.800 119.348 1.452 18952 1448 1 17 . 1 1 5 5 GLN H H 5 8.190 8.190 8.669 -0.479 18952 1449 1 17 . 1 1 6 6 TYR N N 6 119.300 119.300 122.201 -2.901 18952 1450 1 17 . 1 1 6 6 TYR H H 6 8.020 8.020 8.434 -0.414 18952 1451 1 17 . 1 1 7 7 LEU N N 7 120.400 120.400 119.786 0.614 18952 1452 1 17 . 1 1 7 7 LEU H H 7 8.110 8.110 8.530 -0.420 18952 1453 1 17 . 1 1 8 8 THR N N 8 111.200 111.200 116.320 -5.120 18952 1454 1 17 . 1 1 8 8 THR H H 8 7.890 7.890 8.311 -0.421 18952 1455 1 17 . 1 1 9 9 ARG N N 9 120.700 120.700 121.652 -0.952 18952 1456 1 17 . 1 1 9 9 ARG H H 9 8.220 8.220 8.279 -0.059 18952 1457 1 17 . 1 1 10 10 SER N N 10 114.500 114.500 115.369 -0.869 18952 1458 1 17 . 1 1 10 10 SER H H 10 7.990 7.990 8.165 -0.175 18952 1459 1 17 . 1 1 11 11 ALA N N 11 124.000 124.000 124.963 -0.963 18952 1460 1 17 . 1 1 11 11 ALA H H 11 8.060 8.060 8.094 -0.034 18952 1461 1 17 . 1 1 12 12 ILE N N 12 115.900 115.900 118.307 -2.407 18952 1462 1 17 . 1 1 12 12 ILE H H 12 7.780 7.780 8.029 -0.249 18952 1463 1 17 . 1 1 13 13 ARG N N 13 121.100 121.100 120.038 1.062 18952 1464 1 17 . 1 1 13 13 ARG H H 13 7.910 7.910 7.968 -0.058 18952 1465 1 17 . 1 1 14 14 ARG N N 14 120.270 120.270 118.025 2.245 18952 1466 1 17 . 1 1 14 14 ARG H H 14 8.060 8.060 7.998 0.062 18952 1467 1 17 . 1 1 18 18 ILE N N 18 122.100 122.100 123.602 -1.502 18952 1468 1 17 . 1 1 18 18 ILE H H 18 7.720 7.720 7.601 0.119 18952 1469 1 17 . 1 1 19 19 GLU N N 19 124.800 124.800 127.773 -2.973 18952 1470 1 17 . 1 1 19 19 GLU H H 19 8.250 8.250 8.577 -0.327 18952 1471 1 17 . 1 1 20 20 MET N N 20 122.700 122.700 123.312 -0.612 18952 1472 1 17 . 1 1 20 20 MET H H 20 8.480 8.480 8.503 -0.023 18952 1473 1 17 . 1 1 22 22 GLN N N 22 121.600 121.600 116.450 5.150 18952 1474 1 17 . 1 1 22 22 GLN H H 22 8.710 8.710 8.226 0.484 18952 1475 1 17 . 1 1 23 23 GLN N N 23 119.000 119.000 118.850 0.150 18952 1476 1 17 . 1 1 23 23 GLN H H 23 8.620 8.620 7.373 1.247 18952 1477 1 17 . 1 1 24 24 ALA N N 24 122.400 122.400 126.587 -4.187 18952 1478 1 17 . 1 1 24 24 ALA H H 24 7.840 7.840 7.697 0.143 18952 1479 1 17 . 1 1 26 26 GLN N N 26 118.340 118.340 115.846 2.494 18952 1480 1 17 . 1 1 26 26 GLN H H 26 8.780 8.780 8.660 0.120 18952 1481 1 17 . 1 1 27 27 ASN N N 27 117.920 117.920 117.862 0.058 18952 1482 1 17 . 1 1 27 27 ASN H H 27 8.000 8.000 7.889 0.111 18952 1483 1 17 . 1 1 28 28 LEU N N 28 121.400 121.400 120.377 1.023 18952 1484 1 17 . 1 1 28 28 LEU H H 28 8.210 8.210 8.180 0.030 18952 1485 1 17 . 1 1 29 29 GLN N N 29 117.930 117.930 118.999 -1.069 18952 1486 1 17 . 1 1 29 29 GLN H H 29 8.130 8.130 8.197 -0.067 18952 1487 1 17 . 1 1 30 30 ASN N N 30 117.040 117.040 119.328 -2.288 18952 1488 1 17 . 1 1 30 30 ASN H H 30 8.100 8.100 7.619 0.481 18952 1489 1 17 . 1 1 31 31 LEU N N 31 121.200 121.200 121.242 -0.042 18952 1490 1 17 . 1 1 31 31 LEU H H 31 8.060 8.060 7.912 0.148 18952 1491 1 17 . 1 1 32 32 PHE N N 32 118.310 118.310 117.914 0.396 18952 1492 1 17 . 1 1 32 32 PHE H H 32 8.450 8.450 7.752 0.698 18952 1493 1 17 . 1 1 33 33 ILE N N 33 119.700 119.700 119.864 -0.164 18952 1494 1 17 . 1 1 33 33 ILE H H 33 8.420 8.420 8.754 -0.334 18952 1495 1 17 . 1 1 34 34 ASN N N 34 117.580 117.580 118.339 -0.759 18952 1496 1 17 . 1 1 34 34 ASN H H 34 8.030 8.030 8.269 -0.239 18952 1497 1 17 . 1 1 35 35 PHE N N 35 119.400 119.400 121.480 -2.080 18952 1498 1 17 . 1 1 35 35 PHE H H 35 8.570 8.570 7.810 0.760 18952 1499 1 17 . 1 1 36 36 CYS N N 36 116.680 116.680 118.340 -1.660 18952 1500 1 17 . 1 1 36 36 CYS H H 36 8.160 8.160 7.874 0.286 18952 1501 1 17 . 1 1 37 37 LEU N N 37 118.190 118.190 121.497 -3.307 18952 1502 1 17 . 1 1 37 37 LEU H H 37 8.170 8.170 8.358 -0.188 18952 1503 1 17 . 1 1 38 38 ILE N N 38 119.700 119.700 119.635 0.065 18952 1504 1 17 . 1 1 38 38 ILE H H 38 8.390 8.390 8.505 -0.115 18952 1505 1 17 . 1 1 39 39 LEU N N 39 119.400 119.400 120.031 -0.631 18952 1506 1 17 . 1 1 39 39 LEU H H 39 7.990 7.990 7.735 0.255 18952 1507 1 17 . 1 1 40 40 ILE N N 40 119.250 119.250 119.464 -0.214 18952 1508 1 17 . 1 1 40 40 ILE H H 40 8.140 8.140 7.754 0.386 18952 1509 1 17 . 1 1 41 41 CYS N N 41 117.800 117.800 118.884 -1.084 18952 1510 1 17 . 1 1 41 41 CYS H H 41 7.980 7.980 8.435 -0.455 18952 1511 1 17 . 1 1 42 42 LEU N N 42 117.900 117.900 119.929 -2.029 18952 1512 1 17 . 1 1 42 42 LEU H H 42 8.290 8.290 8.329 -0.039 18952 1513 1 17 . 1 1 43 43 LEU N N 43 119.700 119.700 119.927 -0.227 18952 1514 1 17 . 1 1 43 43 LEU H H 43 8.390 8.390 7.981 0.409 18952 1515 1 17 . 1 1 44 44 LEU N N 44 117.800 117.800 120.489 -2.689 18952 1516 1 17 . 1 1 44 44 LEU H H 44 8.180 8.180 8.097 0.083 18952 1517 1 17 . 1 1 45 45 ILE N N 45 117.690 117.690 120.669 -2.979 18952 1518 1 17 . 1 1 45 45 ILE H H 45 8.170 8.170 7.988 0.182 18952 1519 1 17 . 1 1 46 46 CYS N N 46 117.020 117.020 118.313 -1.293 18952 1520 1 17 . 1 1 46 46 CYS H H 46 8.150 8.150 7.671 0.479 18952 1521 1 17 . 1 1 47 47 ILE N N 47 117.300 117.300 120.959 -3.659 18952 1522 1 17 . 1 1 47 47 ILE H H 47 8.230 8.230 7.463 0.767 18952 1523 1 17 . 1 1 48 48 ILE N N 48 117.690 117.690 120.631 -2.941 18952 1524 1 17 . 1 1 48 48 ILE H H 48 8.200 8.200 8.414 -0.214 18952 1525 1 17 . 1 1 49 49 VAL N N 49 115.700 115.700 120.416 -4.716 18952 1526 1 17 . 1 1 49 49 VAL H H 49 8.340 8.340 8.395 -0.055 18952 1527 1 17 . 1 1 50 50 MET N N 50 115.500 115.500 118.003 -2.503 18952 1528 1 17 . 1 1 50 50 MET H H 50 7.920 7.920 8.103 -0.183 18952 1529 1 17 . 1 1 51 51 LEU N N 51 118.100 118.100 119.285 -1.185 18952 1530 1 17 . 1 1 51 51 LEU H H 51 7.880 7.880 7.974 -0.094 18952 1531 1 18 . 1 1 2 2 GLU N N 2 121.800 121.800 121.258 0.542 18952 1532 1 18 . 1 1 2 2 GLU H H 2 9.240 9.240 8.726 0.514 18952 1533 1 18 . 1 1 3 3 LYS N N 3 120.200 120.200 119.996 0.204 18952 1534 1 18 . 1 1 3 3 LYS H H 3 8.270 8.270 8.366 -0.096 18952 1535 1 18 . 1 1 4 4 VAL N N 4 117.600 117.600 120.420 -2.820 18952 1536 1 18 . 1 1 4 4 VAL H H 4 7.750 7.750 7.902 -0.152 18952 1537 1 18 . 1 1 5 5 GLN N N 5 120.800 120.800 119.374 1.426 18952 1538 1 18 . 1 1 5 5 GLN H H 5 8.190 8.190 8.566 -0.376 18952 1539 1 18 . 1 1 6 6 TYR N N 6 119.300 119.300 122.221 -2.921 18952 1540 1 18 . 1 1 6 6 TYR H H 6 8.020 8.020 8.321 -0.301 18952 1541 1 18 . 1 1 7 7 LEU N N 7 120.400 120.400 119.895 0.505 18952 1542 1 18 . 1 1 7 7 LEU H H 7 8.110 8.110 8.466 -0.356 18952 1543 1 18 . 1 1 8 8 THR N N 8 111.200 111.200 115.981 -4.781 18952 1544 1 18 . 1 1 8 8 THR H H 8 7.890 7.890 8.340 -0.450 18952 1545 1 18 . 1 1 9 9 ARG N N 9 120.700 120.700 121.616 -0.916 18952 1546 1 18 . 1 1 9 9 ARG H H 9 8.220 8.220 8.162 0.058 18952 1547 1 18 . 1 1 10 10 SER N N 10 114.500 114.500 115.155 -0.655 18952 1548 1 18 . 1 1 10 10 SER H H 10 7.990 7.990 8.153 -0.163 18952 1549 1 18 . 1 1 11 11 ALA N N 11 124.000 124.000 124.871 -0.871 18952 1550 1 18 . 1 1 11 11 ALA H H 11 8.060 8.060 8.152 -0.092 18952 1551 1 18 . 1 1 12 12 ILE N N 12 115.900 115.900 118.502 -2.602 18952 1552 1 18 . 1 1 12 12 ILE H H 12 7.780 7.780 7.968 -0.188 18952 1553 1 18 . 1 1 13 13 ARG N N 13 121.100 121.100 118.551 2.549 18952 1554 1 18 . 1 1 13 13 ARG H H 13 7.910 7.910 7.928 -0.018 18952 1555 1 18 . 1 1 14 14 ARG N N 14 120.270 120.270 118.064 2.206 18952 1556 1 18 . 1 1 14 14 ARG H H 14 8.060 8.060 7.899 0.161 18952 1557 1 18 . 1 1 18 18 ILE N N 18 122.100 122.100 119.957 2.143 18952 1558 1 18 . 1 1 18 18 ILE H H 18 7.720 7.720 8.202 -0.482 18952 1559 1 18 . 1 1 19 19 GLU N N 19 124.800 124.800 127.774 -2.974 18952 1560 1 18 . 1 1 19 19 GLU H H 19 8.250 8.250 8.766 -0.516 18952 1561 1 18 . 1 1 20 20 MET N N 20 122.700 122.700 118.394 4.306 18952 1562 1 18 . 1 1 20 20 MET H H 20 8.480 8.480 8.181 0.299 18952 1563 1 18 . 1 1 22 22 GLN N N 22 121.600 121.600 118.858 2.742 18952 1564 1 18 . 1 1 22 22 GLN H H 22 8.710 8.710 8.678 0.032 18952 1565 1 18 . 1 1 23 23 GLN N N 23 119.000 119.000 116.807 2.193 18952 1566 1 18 . 1 1 23 23 GLN H H 23 8.620 8.620 8.613 0.007 18952 1567 1 18 . 1 1 24 24 ALA N N 24 122.400 122.400 121.815 0.585 18952 1568 1 18 . 1 1 24 24 ALA H H 24 7.840 7.840 7.456 0.384 18952 1569 1 18 . 1 1 26 26 GLN N N 26 118.340 118.340 120.673 -2.333 18952 1570 1 18 . 1 1 26 26 GLN H H 26 8.780 8.780 8.751 0.029 18952 1571 1 18 . 1 1 27 27 ASN N N 27 117.920 117.920 117.860 0.060 18952 1572 1 18 . 1 1 27 27 ASN H H 27 8.000 8.000 8.262 -0.262 18952 1573 1 18 . 1 1 28 28 LEU N N 28 121.400 121.400 119.494 1.906 18952 1574 1 18 . 1 1 28 28 LEU H H 28 8.210 8.210 7.840 0.370 18952 1575 1 18 . 1 1 29 29 GLN N N 29 117.930 117.930 118.407 -0.477 18952 1576 1 18 . 1 1 29 29 GLN H H 29 8.130 8.130 7.833 0.297 18952 1577 1 18 . 1 1 30 30 ASN N N 30 117.040 117.040 118.425 -1.385 18952 1578 1 18 . 1 1 30 30 ASN H H 30 8.100 8.100 7.451 0.649 18952 1579 1 18 . 1 1 31 31 LEU N N 31 121.200 121.200 121.442 -0.242 18952 1580 1 18 . 1 1 31 31 LEU H H 31 8.060 8.060 7.162 0.898 18952 1581 1 18 . 1 1 32 32 PHE N N 32 118.310 118.310 117.795 0.515 18952 1582 1 18 . 1 1 32 32 PHE H H 32 8.450 8.450 7.021 1.429 18952 1583 1 18 . 1 1 33 33 ILE N N 33 119.700 119.700 119.794 -0.094 18952 1584 1 18 . 1 1 33 33 ILE H H 33 8.420 8.420 8.309 0.111 18952 1585 1 18 . 1 1 34 34 ASN N N 34 117.580 117.580 118.519 -0.939 18952 1586 1 18 . 1 1 34 34 ASN H H 34 8.030 8.030 8.243 -0.213 18952 1587 1 18 . 1 1 35 35 PHE N N 35 119.400 119.400 121.895 -2.495 18952 1588 1 18 . 1 1 35 35 PHE H H 35 8.570 8.570 8.392 0.178 18952 1589 1 18 . 1 1 36 36 CYS N N 36 116.680 116.680 118.329 -1.649 18952 1590 1 18 . 1 1 36 36 CYS H H 36 8.160 8.160 8.070 0.090 18952 1591 1 18 . 1 1 37 37 LEU N N 37 118.190 118.190 121.092 -2.902 18952 1592 1 18 . 1 1 37 37 LEU H H 37 8.170 8.170 8.131 0.039 18952 1593 1 18 . 1 1 38 38 ILE N N 38 119.700 119.700 119.311 0.389 18952 1594 1 18 . 1 1 38 38 ILE H H 38 8.390 8.390 8.559 -0.169 18952 1595 1 18 . 1 1 39 39 LEU N N 39 119.400 119.400 119.896 -0.496 18952 1596 1 18 . 1 1 39 39 LEU H H 39 7.990 7.990 7.728 0.262 18952 1597 1 18 . 1 1 40 40 ILE N N 40 119.250 119.250 119.954 -0.704 18952 1598 1 18 . 1 1 40 40 ILE H H 40 8.140 8.140 8.299 -0.159 18952 1599 1 18 . 1 1 41 41 CYS N N 41 117.800 117.800 118.955 -1.155 18952 1600 1 18 . 1 1 41 41 CYS H H 41 7.980 7.980 8.428 -0.448 18952 1601 1 18 . 1 1 42 42 LEU N N 42 117.900 117.900 119.889 -1.989 18952 1602 1 18 . 1 1 42 42 LEU H H 42 8.290 8.290 8.215 0.075 18952 1603 1 18 . 1 1 43 43 LEU N N 43 119.700 119.700 120.188 -0.488 18952 1604 1 18 . 1 1 43 43 LEU H H 43 8.390 8.390 8.058 0.332 18952 1605 1 18 . 1 1 44 44 LEU N N 44 117.800 117.800 120.596 -2.796 18952 1606 1 18 . 1 1 44 44 LEU H H 44 8.180 8.180 8.257 -0.077 18952 1607 1 18 . 1 1 45 45 ILE N N 45 117.690 117.690 119.971 -2.281 18952 1608 1 18 . 1 1 45 45 ILE H H 45 8.170 8.170 7.820 0.350 18952 1609 1 18 . 1 1 46 46 CYS N N 46 117.020 117.020 118.513 -1.493 18952 1610 1 18 . 1 1 46 46 CYS H H 46 8.150 8.150 7.800 0.350 18952 1611 1 18 . 1 1 47 47 ILE N N 47 117.300 117.300 121.358 -4.058 18952 1612 1 18 . 1 1 47 47 ILE H H 47 8.230 8.230 8.119 0.111 18952 1613 1 18 . 1 1 48 48 ILE N N 48 117.690 117.690 120.217 -2.527 18952 1614 1 18 . 1 1 48 48 ILE H H 48 8.200 8.200 8.034 0.166 18952 1615 1 18 . 1 1 49 49 VAL N N 49 115.700 115.700 120.544 -4.844 18952 1616 1 18 . 1 1 49 49 VAL H H 49 8.340 8.340 8.124 0.216 18952 1617 1 18 . 1 1 50 50 MET N N 50 115.500 115.500 117.688 -2.188 18952 1618 1 18 . 1 1 50 50 MET H H 50 7.920 7.920 8.218 -0.298 18952 1619 1 18 . 1 1 51 51 LEU N N 51 118.100 118.100 120.208 -2.108 18952 1620 1 18 . 1 1 51 51 LEU H H 51 7.880 7.880 7.704 0.176 18952 1621 1 19 . 1 1 2 2 GLU N N 2 121.800 121.800 122.769 -0.969 18952 1622 1 19 . 1 1 2 2 GLU H H 2 9.240 9.240 8.914 0.326 18952 1623 1 19 . 1 1 3 3 LYS N N 3 120.200 120.200 119.155 1.045 18952 1624 1 19 . 1 1 3 3 LYS H H 3 8.270 8.270 8.363 -0.093 18952 1625 1 19 . 1 1 4 4 VAL N N 4 117.600 117.600 120.389 -2.789 18952 1626 1 19 . 1 1 4 4 VAL H H 4 7.750 7.750 7.884 -0.134 18952 1627 1 19 . 1 1 5 5 GLN N N 5 120.800 120.800 118.966 1.834 18952 1628 1 19 . 1 1 5 5 GLN H H 5 8.190 8.190 8.573 -0.383 18952 1629 1 19 . 1 1 6 6 TYR N N 6 119.300 119.300 122.772 -3.472 18952 1630 1 19 . 1 1 6 6 TYR H H 6 8.020 8.020 8.417 -0.397 18952 1631 1 19 . 1 1 7 7 LEU N N 7 120.400 120.400 119.567 0.833 18952 1632 1 19 . 1 1 7 7 LEU H H 7 8.110 8.110 8.373 -0.263 18952 1633 1 19 . 1 1 8 8 THR N N 8 111.200 111.200 116.015 -4.815 18952 1634 1 19 . 1 1 8 8 THR H H 8 7.890 7.890 8.111 -0.221 18952 1635 1 19 . 1 1 9 9 ARG N N 9 120.700 120.700 121.638 -0.938 18952 1636 1 19 . 1 1 9 9 ARG H H 9 8.220 8.220 8.406 -0.186 18952 1637 1 19 . 1 1 10 10 SER N N 10 114.500 114.500 115.226 -0.726 18952 1638 1 19 . 1 1 10 10 SER H H 10 7.990 7.990 8.164 -0.174 18952 1639 1 19 . 1 1 11 11 ALA N N 11 124.000 124.000 124.774 -0.774 18952 1640 1 19 . 1 1 11 11 ALA H H 11 8.060 8.060 8.026 0.034 18952 1641 1 19 . 1 1 12 12 ILE N N 12 115.900 115.900 118.560 -2.660 18952 1642 1 19 . 1 1 12 12 ILE H H 12 7.780 7.780 7.846 -0.066 18952 1643 1 19 . 1 1 13 13 ARG N N 13 121.100 121.100 118.733 2.367 18952 1644 1 19 . 1 1 13 13 ARG H H 13 7.910 7.910 8.035 -0.125 18952 1645 1 19 . 1 1 14 14 ARG N N 14 120.270 120.270 118.564 1.706 18952 1646 1 19 . 1 1 14 14 ARG H H 14 8.060 8.060 7.961 0.099 18952 1647 1 19 . 1 1 18 18 ILE N N 18 122.100 122.100 120.352 1.748 18952 1648 1 19 . 1 1 18 18 ILE H H 18 7.720 7.720 8.376 -0.656 18952 1649 1 19 . 1 1 19 19 GLU N N 19 124.800 124.800 121.907 2.893 18952 1650 1 19 . 1 1 19 19 GLU H H 19 8.250 8.250 8.451 -0.201 18952 1651 1 19 . 1 1 20 20 MET N N 20 122.700 122.700 119.348 3.352 18952 1652 1 19 . 1 1 20 20 MET H H 20 8.480 8.480 8.282 0.198 18952 1653 1 19 . 1 1 22 22 GLN N N 22 121.600 121.600 120.111 1.489 18952 1654 1 19 . 1 1 22 22 GLN H H 22 8.710 8.710 8.612 0.098 18952 1655 1 19 . 1 1 23 23 GLN N N 23 119.000 119.000 118.646 0.354 18952 1656 1 19 . 1 1 23 23 GLN H H 23 8.620 8.620 8.281 0.339 18952 1657 1 19 . 1 1 24 24 ALA N N 24 122.400 122.400 120.372 2.028 18952 1658 1 19 . 1 1 24 24 ALA H H 24 7.840 7.840 7.434 0.406 18952 1659 1 19 . 1 1 26 26 GLN N N 26 118.340 118.340 119.199 -0.859 18952 1660 1 19 . 1 1 26 26 GLN H H 26 8.780 8.780 8.646 0.134 18952 1661 1 19 . 1 1 27 27 ASN N N 27 117.920 117.920 117.513 0.407 18952 1662 1 19 . 1 1 27 27 ASN H H 27 8.000 8.000 8.417 -0.417 18952 1663 1 19 . 1 1 28 28 LEU N N 28 121.400 121.400 120.823 0.577 18952 1664 1 19 . 1 1 28 28 LEU H H 28 8.210 8.210 7.277 0.933 18952 1665 1 19 . 1 1 29 29 GLN N N 29 117.930 117.930 118.929 -0.999 18952 1666 1 19 . 1 1 29 29 GLN H H 29 8.130 8.130 8.344 -0.214 18952 1667 1 19 . 1 1 30 30 ASN N N 30 117.040 117.040 119.703 -2.663 18952 1668 1 19 . 1 1 30 30 ASN H H 30 8.100 8.100 8.246 -0.146 18952 1669 1 19 . 1 1 31 31 LEU N N 31 121.200 121.200 121.332 -0.132 18952 1670 1 19 . 1 1 31 31 LEU H H 31 8.060 8.060 7.608 0.452 18952 1671 1 19 . 1 1 32 32 PHE N N 32 118.310 118.310 118.562 -0.252 18952 1672 1 19 . 1 1 32 32 PHE H H 32 8.450 8.450 7.567 0.883 18952 1673 1 19 . 1 1 33 33 ILE N N 33 119.700 119.700 120.013 -0.313 18952 1674 1 19 . 1 1 33 33 ILE H H 33 8.420 8.420 8.942 -0.522 18952 1675 1 19 . 1 1 34 34 ASN N N 34 117.580 117.580 118.288 -0.708 18952 1676 1 19 . 1 1 34 34 ASN H H 34 8.030 8.030 8.197 -0.167 18952 1677 1 19 . 1 1 35 35 PHE N N 35 119.400 119.400 121.325 -1.925 18952 1678 1 19 . 1 1 35 35 PHE H H 35 8.570 8.570 8.610 -0.040 18952 1679 1 19 . 1 1 36 36 CYS N N 36 116.680 116.680 118.454 -1.774 18952 1680 1 19 . 1 1 36 36 CYS H H 36 8.160 8.160 8.505 -0.345 18952 1681 1 19 . 1 1 37 37 LEU N N 37 118.190 118.190 120.718 -2.528 18952 1682 1 19 . 1 1 37 37 LEU H H 37 8.170 8.170 8.155 0.015 18952 1683 1 19 . 1 1 38 38 ILE N N 38 119.700 119.700 118.503 1.197 18952 1684 1 19 . 1 1 38 38 ILE H H 38 8.390 8.390 8.028 0.362 18952 1685 1 19 . 1 1 39 39 LEU N N 39 119.400 119.400 118.995 0.405 18952 1686 1 19 . 1 1 39 39 LEU H H 39 7.990 7.990 7.945 0.045 18952 1687 1 19 . 1 1 40 40 ILE N N 40 119.250 119.250 119.535 -0.285 18952 1688 1 19 . 1 1 40 40 ILE H H 40 8.140 8.140 8.192 -0.052 18952 1689 1 19 . 1 1 41 41 CYS N N 41 117.800 117.800 118.539 -0.739 18952 1690 1 19 . 1 1 41 41 CYS H H 41 7.980 7.980 8.103 -0.123 18952 1691 1 19 . 1 1 42 42 LEU N N 42 117.900 117.900 120.053 -2.153 18952 1692 1 19 . 1 1 42 42 LEU H H 42 8.290 8.290 8.094 0.196 18952 1693 1 19 . 1 1 43 43 LEU N N 43 119.700 119.700 120.066 -0.366 18952 1694 1 19 . 1 1 43 43 LEU H H 43 8.390 8.390 8.006 0.384 18952 1695 1 19 . 1 1 44 44 LEU N N 44 117.800 117.800 120.578 -2.778 18952 1696 1 19 . 1 1 44 44 LEU H H 44 8.180 8.180 8.325 -0.145 18952 1697 1 19 . 1 1 45 45 ILE N N 45 117.690 117.690 120.177 -2.487 18952 1698 1 19 . 1 1 45 45 ILE H H 45 8.170 8.170 7.713 0.457 18952 1699 1 19 . 1 1 46 46 CYS N N 46 117.020 117.020 118.316 -1.296 18952 1700 1 19 . 1 1 46 46 CYS H H 46 8.150 8.150 7.619 0.531 18952 1701 1 19 . 1 1 47 47 ILE N N 47 117.300 117.300 120.858 -3.558 18952 1702 1 19 . 1 1 47 47 ILE H H 47 8.230 8.230 7.760 0.470 18952 1703 1 19 . 1 1 48 48 ILE N N 48 117.690 117.690 120.035 -2.345 18952 1704 1 19 . 1 1 48 48 ILE H H 48 8.200 8.200 8.090 0.110 18952 1705 1 19 . 1 1 49 49 VAL N N 49 115.700 115.700 120.719 -5.019 18952 1706 1 19 . 1 1 49 49 VAL H H 49 8.340 8.340 8.363 -0.023 18952 1707 1 19 . 1 1 50 50 MET N N 50 115.500 115.500 118.993 -3.493 18952 1708 1 19 . 1 1 50 50 MET H H 50 7.920 7.920 7.665 0.255 18952 1709 1 19 . 1 1 51 51 LEU N N 51 118.100 118.100 118.569 -0.469 18952 1710 1 19 . 1 1 51 51 LEU H H 51 7.880 7.880 7.712 0.168 18952 1711 1 20 . 1 1 2 2 GLU N N 2 121.800 121.800 121.335 0.465 18952 1712 1 20 . 1 1 2 2 GLU H H 2 9.240 9.240 8.734 0.506 18952 1713 1 20 . 1 1 3 3 LYS N N 3 120.200 120.200 120.092 0.108 18952 1714 1 20 . 1 1 3 3 LYS H H 3 8.270 8.270 8.361 -0.091 18952 1715 1 20 . 1 1 4 4 VAL N N 4 117.600 117.600 120.447 -2.847 18952 1716 1 20 . 1 1 4 4 VAL H H 4 7.750 7.750 7.933 -0.183 18952 1717 1 20 . 1 1 5 5 GLN N N 5 120.800 120.800 119.127 1.673 18952 1718 1 20 . 1 1 5 5 GLN H H 5 8.190 8.190 8.552 -0.362 18952 1719 1 20 . 1 1 6 6 TYR N N 6 119.300 119.300 122.355 -3.055 18952 1720 1 20 . 1 1 6 6 TYR H H 6 8.020 8.020 8.506 -0.486 18952 1721 1 20 . 1 1 7 7 LEU N N 7 120.400 120.400 119.753 0.647 18952 1722 1 20 . 1 1 7 7 LEU H H 7 8.110 8.110 8.460 -0.350 18952 1723 1 20 . 1 1 8 8 THR N N 8 111.200 111.200 116.035 -4.835 18952 1724 1 20 . 1 1 8 8 THR H H 8 7.890 7.890 8.405 -0.515 18952 1725 1 20 . 1 1 9 9 ARG N N 9 120.700 120.700 121.803 -1.103 18952 1726 1 20 . 1 1 9 9 ARG H H 9 8.220 8.220 8.479 -0.259 18952 1727 1 20 . 1 1 10 10 SER N N 10 114.500 114.500 115.303 -0.803 18952 1728 1 20 . 1 1 10 10 SER H H 10 7.990 7.990 8.256 -0.266 18952 1729 1 20 . 1 1 11 11 ALA N N 11 124.000 124.000 124.935 -0.935 18952 1730 1 20 . 1 1 11 11 ALA H H 11 8.060 8.060 8.042 0.018 18952 1731 1 20 . 1 1 12 12 ILE N N 12 115.900 115.900 119.192 -3.292 18952 1732 1 20 . 1 1 12 12 ILE H H 12 7.780 7.780 8.030 -0.250 18952 1733 1 20 . 1 1 13 13 ARG N N 13 121.100 121.100 120.139 0.961 18952 1734 1 20 . 1 1 13 13 ARG H H 13 7.910 7.910 8.361 -0.451 18952 1735 1 20 . 1 1 14 14 ARG N N 14 120.270 120.270 119.103 1.167 18952 1736 1 20 . 1 1 14 14 ARG H H 14 8.060 8.060 7.950 0.110 18952 1737 1 20 . 1 1 18 18 ILE N N 18 122.100 122.100 125.001 -2.901 18952 1738 1 20 . 1 1 18 18 ILE H H 18 7.720 7.720 8.152 -0.432 18952 1739 1 20 . 1 1 19 19 GLU N N 19 124.800 124.800 127.110 -2.310 18952 1740 1 20 . 1 1 19 19 GLU H H 19 8.250 8.250 8.554 -0.304 18952 1741 1 20 . 1 1 20 20 MET N N 20 122.700 122.700 121.352 1.348 18952 1742 1 20 . 1 1 20 20 MET H H 20 8.480 8.480 7.607 0.873 18952 1743 1 20 . 1 1 22 22 GLN N N 22 121.600 121.600 122.257 -0.657 18952 1744 1 20 . 1 1 22 22 GLN H H 22 8.710 8.710 8.539 0.171 18952 1745 1 20 . 1 1 23 23 GLN N N 23 119.000 119.000 115.851 3.149 18952 1746 1 20 . 1 1 23 23 GLN H H 23 8.620 8.620 7.961 0.659 18952 1747 1 20 . 1 1 24 24 ALA N N 24 122.400 122.400 120.962 1.438 18952 1748 1 20 . 1 1 24 24 ALA H H 24 7.840 7.840 8.382 -0.542 18952 1749 1 20 . 1 1 26 26 GLN N N 26 118.340 118.340 119.595 -1.255 18952 1750 1 20 . 1 1 26 26 GLN H H 26 8.780 8.780 8.645 0.135 18952 1751 1 20 . 1 1 27 27 ASN N N 27 117.920 117.920 118.250 -0.330 18952 1752 1 20 . 1 1 27 27 ASN H H 27 8.000 8.000 8.607 -0.607 18952 1753 1 20 . 1 1 28 28 LEU N N 28 121.400 121.400 119.272 2.128 18952 1754 1 20 . 1 1 28 28 LEU H H 28 8.210 8.210 8.038 0.172 18952 1755 1 20 . 1 1 29 29 GLN N N 29 117.930 117.930 119.259 -1.329 18952 1756 1 20 . 1 1 29 29 GLN H H 29 8.130 8.130 8.442 -0.312 18952 1757 1 20 . 1 1 30 30 ASN N N 30 117.040 117.040 119.188 -2.148 18952 1758 1 20 . 1 1 30 30 ASN H H 30 8.100 8.100 8.357 -0.257 18952 1759 1 20 . 1 1 31 31 LEU N N 31 121.200 121.200 121.062 0.138 18952 1760 1 20 . 1 1 31 31 LEU H H 31 8.060 8.060 7.780 0.280 18952 1761 1 20 . 1 1 32 32 PHE N N 32 118.310 118.310 117.731 0.579 18952 1762 1 20 . 1 1 32 32 PHE H H 32 8.450 8.450 8.014 0.436 18952 1763 1 20 . 1 1 33 33 ILE N N 33 119.700 119.700 119.667 0.033 18952 1764 1 20 . 1 1 33 33 ILE H H 33 8.420 8.420 8.701 -0.281 18952 1765 1 20 . 1 1 34 34 ASN N N 34 117.580 117.580 118.214 -0.634 18952 1766 1 20 . 1 1 34 34 ASN H H 34 8.030 8.030 7.993 0.037 18952 1767 1 20 . 1 1 35 35 PHE N N 35 119.400 119.400 121.504 -2.104 18952 1768 1 20 . 1 1 35 35 PHE H H 35 8.570 8.570 7.732 0.838 18952 1769 1 20 . 1 1 36 36 CYS N N 36 116.680 116.680 118.854 -2.174 18952 1770 1 20 . 1 1 36 36 CYS H H 36 8.160 8.160 7.858 0.302 18952 1771 1 20 . 1 1 37 37 LEU N N 37 118.190 118.190 121.161 -2.971 18952 1772 1 20 . 1 1 37 37 LEU H H 37 8.170 8.170 8.626 -0.456 18952 1773 1 20 . 1 1 38 38 ILE N N 38 119.700 119.700 119.042 0.658 18952 1774 1 20 . 1 1 38 38 ILE H H 38 8.390 8.390 8.445 -0.055 18952 1775 1 20 . 1 1 39 39 LEU N N 39 119.400 119.400 120.053 -0.653 18952 1776 1 20 . 1 1 39 39 LEU H H 39 7.990 7.990 7.479 0.511 18952 1777 1 20 . 1 1 40 40 ILE N N 40 119.250 119.250 118.948 0.302 18952 1778 1 20 . 1 1 40 40 ILE H H 40 8.140 8.140 8.296 -0.156 18952 1779 1 20 . 1 1 41 41 CYS N N 41 117.800 117.800 118.721 -0.921 18952 1780 1 20 . 1 1 41 41 CYS H H 41 7.980 7.980 8.476 -0.496 18952 1781 1 20 . 1 1 42 42 LEU N N 42 117.900 117.900 120.093 -2.193 18952 1782 1 20 . 1 1 42 42 LEU H H 42 8.290 8.290 8.046 0.244 18952 1783 1 20 . 1 1 43 43 LEU N N 43 119.700 119.700 119.865 -0.165 18952 1784 1 20 . 1 1 43 43 LEU H H 43 8.390 8.390 8.053 0.337 18952 1785 1 20 . 1 1 44 44 LEU N N 44 117.800 117.800 120.556 -2.756 18952 1786 1 20 . 1 1 44 44 LEU H H 44 8.180 8.180 8.182 -0.002 18952 1787 1 20 . 1 1 45 45 ILE N N 45 117.690 117.690 120.464 -2.774 18952 1788 1 20 . 1 1 45 45 ILE H H 45 8.170 8.170 7.759 0.411 18952 1789 1 20 . 1 1 46 46 CYS N N 46 117.020 117.020 118.344 -1.324 18952 1790 1 20 . 1 1 46 46 CYS H H 46 8.150 8.150 7.572 0.578 18952 1791 1 20 . 1 1 47 47 ILE N N 47 117.300 117.300 121.101 -3.801 18952 1792 1 20 . 1 1 47 47 ILE H H 47 8.230 8.230 7.700 0.530 18952 1793 1 20 . 1 1 48 48 ILE N N 48 117.690 117.690 120.387 -2.697 18952 1794 1 20 . 1 1 48 48 ILE H H 48 8.200 8.200 8.301 -0.101 18952 1795 1 20 . 1 1 49 49 VAL N N 49 115.700 115.700 120.390 -4.690 18952 1796 1 20 . 1 1 49 49 VAL H H 49 8.340 8.340 8.309 0.031 18952 1797 1 20 . 1 1 50 50 MET N N 50 115.500 115.500 117.396 -1.896 18952 1798 1 20 . 1 1 50 50 MET H H 50 7.920 7.920 8.228 -0.308 18952 1799 1 20 . 1 1 51 51 LEU N N 51 118.100 118.100 119.813 -1.713 18952 1800 1 20 . 1 1 51 51 LEU H H 51 7.880 7.880 7.778 0.102 18952 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 45 2.081 1.000 1.846 18952 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18952 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18952 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18952 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18952 6 1 1 "Average Difference" HN 45 0.347 -0.011 0.351 18952 7 1 2 "Average Difference" N 45 1.991 0.991 1.746 18952 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18952 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18952 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18952 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18952 12 1 2 "Average Difference" HN 45 0.413 -0.096 0.406 18952 13 1 3 "Average Difference" N 45 2.263 0.639 2.196 18952 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18952 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18952 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18952 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18952 18 1 3 "Average Difference" HN 45 0.394 -0.082 0.389 18952 19 1 4 "Average Difference" N 45 1.957 1.009 1.695 18952 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18952 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18952 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18952 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18952 24 1 4 "Average Difference" HN 45 0.350 -0.060 0.349 18952 25 1 5 "Average Difference" N 45 2.071 0.746 1.954 18952 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18952 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18952 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18952 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18952 30 1 5 "Average Difference" HN 45 0.420 -0.134 0.402 18952 31 1 6 "Average Difference" N 45 2.218 0.974 2.015 18952 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18952 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18952 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18952 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18952 36 1 6 "Average Difference" HN 45 0.347 -0.061 0.346 18952 37 1 7 "Average Difference" N 45 2.097 1.123 1.791 18952 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18952 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18952 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18952 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18952 42 1 7 "Average Difference" HN 45 0.361 -0.000 0.365 18952 43 1 8 "Average Difference" N 45 2.369 1.036 2.154 18952 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18952 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18952 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18952 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18952 48 1 8 "Average Difference" HN 45 0.379 -0.027 0.382 18952 49 1 9 "Average Difference" N 45 2.081 0.851 1.920 18952 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18952 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18952 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18952 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18952 54 1 9 "Average Difference" HN 45 0.367 -0.069 0.365 18952 55 1 10 "Average Difference" N 45 1.986 0.974 1.750 18952 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18952 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18952 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18952 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18952 60 1 10 "Average Difference" HN 45 0.363 -0.040 0.365 18952 61 1 11 "Average Difference" N 45 2.060 0.935 1.856 18952 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 18952 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18952 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18952 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18952 66 1 11 "Average Difference" HN 45 0.343 -0.037 0.345 18952 67 1 12 "Average Difference" N 45 2.041 1.001 1.798 18952 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 18952 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18952 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18952 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18952 72 1 12 "Average Difference" HN 45 0.387 -0.045 0.389 18952 73 1 13 "Average Difference" N 45 2.225 0.700 2.136 18952 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 18952 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18952 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18952 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18952 78 1 13 "Average Difference" HN 45 0.392 -0.045 0.394 18952 79 1 14 "Average Difference" N 45 2.737 0.776 2.654 18952 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 18952 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18952 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18952 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18952 84 1 14 "Average Difference" HN 45 0.395 -0.023 0.399 18952 85 1 15 "Average Difference" N 45 2.025 0.927 1.821 18952 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 18952 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18952 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18952 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18952 90 1 15 "Average Difference" HN 45 0.329 0.043 0.330 18952 91 1 16 "Average Difference" N 45 2.074 0.973 1.853 18952 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 18952 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18952 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18952 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18952 96 1 16 "Average Difference" HN 45 0.388 -0.001 0.393 18952 97 1 17 "Average Difference" N 45 2.242 1.089 1.981 18952 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 18952 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18952 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18952 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18952 102 1 17 "Average Difference" HN 45 0.369 -0.059 0.368 18952 103 1 18 "Average Difference" N 45 2.180 0.798 2.051 18952 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 18952 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18952 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18952 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18952 108 1 18 "Average Difference" HN 45 0.373 -0.062 0.372 18952 109 1 19 "Average Difference" N 45 2.094 0.712 1.992 18952 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 18952 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18952 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18952 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18952 114 1 19 "Average Difference" HN 45 0.339 -0.040 0.340 18952 115 1 20 "Average Difference" N 45 2.073 1.033 1.818 18952 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 18952 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18952 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18952 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18952 120 1 20 "Average Difference" HN 45 0.389 0.005 0.393 18952 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 18952 _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 GLU N N 2 115.710 115.710 115.918 -0.208 18952 2 1 . 1 1 2 2 GLU H H 2 8.778 8.778 8.389 0.389 18952 3 1 . 1 1 3 3 LYS N N 3 114.190 114.190 113.598 0.592 18952 4 1 . 1 1 3 3 LYS H H 3 7.856 7.856 7.953 -0.097 18952 5 1 . 1 1 4 4 VAL N N 4 117.810 117.810 120.451 -2.641 18952 6 1 . 1 1 4 4 VAL H H 4 7.825 7.825 7.879 -0.054 18952 7 1 . 1 1 5 5 GLN N N 5 120.770 120.770 119.141 1.629 18952 8 1 . 1 1 5 5 GLN H H 5 8.194 8.194 8.502 -0.308 18952 9 1 . 1 1 6 6 TYR N N 6 119.215 119.215 122.249 -3.034 18952 10 1 . 1 1 6 6 TYR H H 6 8.006 8.006 8.344 -0.338 18952 11 1 . 1 1 7 7 LEU N N 7 120.420 120.420 119.766 0.654 18952 12 1 . 1 1 7 7 LEU H H 7 8.114 8.114 8.456 -0.342 18952 13 1 . 1 1 8 8 THR N N 8 111.605 111.605 116.329 -4.724 18952 14 1 . 1 1 8 8 THR H H 8 7.896 7.896 8.307 -0.410 18952 15 1 . 1 1 9 9 ARG N N 9 120.685 120.685 121.552 -0.867 18952 16 1 . 1 1 9 9 ARG H H 9 8.214 8.214 8.266 -0.052 18952 17 1 . 1 1 10 10 SER N N 10 114.335 114.335 115.264 -0.929 18952 18 1 . 1 1 10 10 SER H H 10 7.985 7.985 8.176 -0.191 18952 19 1 . 1 1 11 11 ALA N N 11 123.835 123.835 124.635 -0.800 18952 20 1 . 1 1 11 11 ALA H H 11 8.068 8.068 8.069 -0.001 18952 21 1 . 1 1 12 12 ILE N N 12 115.830 115.830 118.407 -2.577 18952 22 1 . 1 1 12 12 ILE H H 12 7.790 7.790 7.951 -0.160 18952 23 1 . 1 1 13 13 ARG N N 13 121.245 121.245 119.461 1.784 18952 24 1 . 1 1 13 13 ARG H H 13 7.917 7.917 8.056 -0.139 18952 25 1 . 1 1 14 14 ARG N N 14 120.051 120.051 118.504 1.548 18952 26 1 . 1 1 14 14 ARG H H 14 8.046 8.046 7.938 0.108 18952 27 1 . 1 1 13 13 ARG N N 13 6.055 6.055 5.994 0.061 18952 28 1 . 1 1 13 13 ARG H H 13 0.396 0.396 0.408 -0.013 18952 29 1 . 1 1 14 14 ARG N N 14 6.013 6.013 5.930 0.084 18952 30 1 . 1 1 14 14 ARG H H 14 0.403 0.403 0.399 0.004 18952 31 1 . 1 1 18 18 ILE N N 18 115.995 115.995 116.141 -0.146 18952 32 1 . 1 1 18 18 ILE H H 18 7.334 7.334 7.668 -0.334 18952 33 1 . 1 1 19 19 GLU N N 19 118.560 118.560 119.157 -0.597 18952 34 1 . 1 1 19 19 GLU H H 19 7.838 7.838 8.037 -0.199 18952 35 1 . 1 1 20 20 MET N N 20 122.670 122.670 121.196 1.474 18952 36 1 . 1 1 20 20 MET H H 20 8.442 8.442 8.275 0.167 18952 37 1 . 1 1 19 19 GLU N N 19 6.240 6.240 6.280 -0.041 18952 38 1 . 1 1 19 19 GLU H H 19 0.412 0.412 0.421 -0.008 18952 39 1 . 1 1 22 22 GLN N N 22 121.655 121.655 119.376 2.279 18952 40 1 . 1 1 22 22 GLN H H 22 8.699 8.699 8.505 0.194 18952 41 1 . 1 1 23 23 GLN N N 23 113.050 113.050 112.402 0.648 18952 42 1 . 1 1 23 23 GLN H H 23 8.189 8.189 7.654 0.535 18952 43 1 . 1 1 24 24 ALA N N 24 122.360 122.360 121.913 0.447 18952 44 1 . 1 1 24 24 ALA H H 24 7.884 7.884 7.889 -0.006 18952 45 1 . 1 1 23 23 GLN N N 23 5.950 5.950 5.887 0.063 18952 46 1 . 1 1 23 23 GLN H H 23 0.431 0.431 0.415 0.016 18952 47 1 . 1 1 26 26 GLN N N 26 118.543 118.543 119.517 -0.974 18952 48 1 . 1 1 26 26 GLN H H 26 8.733 8.733 8.518 0.215 18952 49 1 . 1 1 27 27 ASN N N 27 112.024 112.024 111.805 0.219 18952 50 1 . 1 1 27 27 ASN H H 27 7.600 7.600 7.773 -0.173 18952 51 1 . 1 1 28 28 LEU N N 28 121.247 121.247 120.189 1.058 18952 52 1 . 1 1 28 28 LEU H H 28 8.239 8.239 7.910 0.329 18952 53 1 . 1 1 29 29 GLN N N 29 117.930 117.930 118.710 -0.780 18952 54 1 . 1 1 29 29 GLN H H 29 8.123 8.123 7.952 0.172 18952 55 1 . 1 1 30 30 ASN N N 30 117.258 117.258 119.103 -1.845 18952 56 1 . 1 1 30 30 ASN H H 30 8.105 8.105 7.946 0.160 18952 57 1 . 1 1 31 31 LEU N N 31 121.037 121.037 121.142 -0.105 18952 58 1 . 1 1 31 31 LEU H H 31 8.064 8.064 7.666 0.398 18952 59 1 . 1 1 32 32 PHE N N 32 118.246 118.246 118.165 0.082 18952 60 1 . 1 1 32 32 PHE H H 32 8.432 8.432 7.494 0.938 18952 61 1 . 1 1 33 33 ILE N N 33 119.775 119.775 119.866 -0.091 18952 62 1 . 1 1 33 33 ILE H H 33 8.402 8.402 8.672 -0.270 18952 63 1 . 1 1 34 34 ASN N N 34 117.616 117.616 118.326 -0.710 18952 64 1 . 1 1 34 34 ASN H H 34 8.051 8.051 8.169 -0.118 18952 65 1 . 1 1 35 35 PHE N N 35 119.415 119.415 121.489 -2.074 18952 66 1 . 1 1 35 35 PHE H H 35 8.562 8.562 8.191 0.371 18952 67 1 . 1 1 36 36 CYS N N 36 116.725 116.725 118.494 -1.769 18952 68 1 . 1 1 36 36 CYS H H 36 8.153 8.153 8.062 0.092 18952 69 1 . 1 1 37 37 LEU N N 37 118.251 118.251 121.216 -2.966 18952 70 1 . 1 1 37 37 LEU H H 37 8.190 8.190 8.256 -0.066 18952 71 1 . 1 1 38 38 ILE N N 38 119.549 119.549 119.336 0.213 18952 72 1 . 1 1 38 38 ILE H H 38 8.378 8.378 8.418 -0.039 18952 73 1 . 1 1 39 39 LEU N N 39 119.340 119.340 120.084 -0.745 18952 74 1 . 1 1 39 39 LEU H H 39 7.999 7.999 7.803 0.196 18952 75 1 . 1 1 40 40 ILE N N 40 119.272 119.272 119.420 -0.147 18952 76 1 . 1 1 40 40 ILE H H 40 8.152 8.152 8.120 0.032 18952 77 1 . 1 1 41 41 CYS N N 41 117.880 117.880 118.978 -1.098 18952 78 1 . 1 1 41 41 CYS H H 41 7.981 7.981 8.367 -0.386 18952 79 1 . 1 1 42 42 LEU N N 42 117.968 117.968 119.926 -1.958 18952 80 1 . 1 1 42 42 LEU H H 42 8.282 8.282 8.220 0.063 18952 81 1 . 1 1 43 43 LEU N N 43 119.605 119.605 120.117 -0.512 18952 82 1 . 1 1 43 43 LEU H H 43 8.369 8.369 8.044 0.326 18952 83 1 . 1 1 44 44 LEU N N 44 117.805 117.805 120.402 -2.597 18952 84 1 . 1 1 44 44 LEU H H 44 8.186 8.186 8.321 -0.135 18952 85 1 . 1 1 45 45 ILE N N 45 117.791 117.791 119.930 -2.139 18952 86 1 . 1 1 45 45 ILE H H 45 8.181 8.181 7.772 0.409 18952 87 1 . 1 1 46 46 CYS N N 46 117.059 117.059 118.585 -1.526 18952 88 1 . 1 1 46 46 CYS H H 46 8.152 8.152 7.705 0.447 18952 89 1 . 1 1 47 47 ILE N N 47 117.319 117.319 121.284 -3.965 18952 90 1 . 1 1 47 47 ILE H H 47 8.227 8.227 8.054 0.173 18952 91 1 . 1 1 48 48 ILE N N 48 117.657 117.657 120.230 -2.573 18952 92 1 . 1 1 48 48 ILE H H 48 8.197 8.197 8.130 0.067 18952 93 1 . 1 1 49 49 VAL N N 49 115.780 115.780 120.397 -4.617 18952 94 1 . 1 1 49 49 VAL H H 49 8.335 8.335 8.149 0.185 18952 95 1 . 1 1 50 50 MET N N 50 115.609 115.609 117.975 -2.365 18952 96 1 . 1 1 50 50 MET H H 50 7.934 7.934 8.176 -0.242 18952 97 1 . 1 1 51 51 LEU N N 51 117.980 117.980 119.642 -1.662 18952 98 1 . 1 1 51 51 LEU H H 51 7.903 7.903 7.892 0.011 18952 99 1 . 1 1 50 50 MET N N 50 5.775 5.775 5.903 -0.128 18952 100 1 . 1 1 50 50 MET H H 50 0.396 0.396 0.403 -0.007 18952 101 1 . 1 1 51 51 LEU N N 51 5.905 5.905 5.974 -0.069 18952 102 1 . 1 1 51 51 LEU H H 51 0.394 0.394 0.402 -0.008 18952 stop_ save_