data_19774 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19774 _Entry.PDB_ID 2MKG 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 19774 _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 LEU N N -2 122.796 122.796 117.964 4.832 19774 2 1 1 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 3.888 0.457 19774 3 1 1 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.445 0.709 19774 4 1 1 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.752 -0.160 19774 5 1 1 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 39.923 2.304 19774 6 1 1 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.732 -0.028 19774 7 1 1 . 1 1 -1 -1 GLY N N -1 110.002 110.002 105.126 4.876 19774 8 1 1 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.794 -0.326 19774 9 1 1 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.264 0.059 19774 10 1 1 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.167 0.381 19774 11 1 1 . 1 1 75 75 LYS N N 75 123.250 123.250 122.852 0.398 19774 12 1 1 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.288 0.015 19774 13 1 1 . 1 1 75 75 LYS C C 75 176.826 176.826 176.390 0.436 19774 14 1 1 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.190 0.191 19774 15 1 1 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.121 -0.247 19774 16 1 1 . 1 1 75 75 LYS H H 75 8.447 8.447 8.280 0.166 19774 17 1 1 . 1 1 76 76 ILE N N 76 123.138 123.138 122.028 1.110 19774 18 1 1 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.073 0.019 19774 19 1 1 . 1 1 76 76 ILE C C 76 176.311 176.311 176.631 -0.320 19774 20 1 1 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.295 1.293 19774 21 1 1 . 1 1 76 76 ILE CB C 76 38.569 38.569 36.291 2.278 19774 22 1 1 . 1 1 76 76 ILE H H 76 8.315 8.315 8.135 0.180 19774 23 1 1 . 1 1 77 77 ALA N N 77 127.035 127.035 130.937 -3.902 19774 24 1 1 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.273 -0.015 19774 25 1 1 . 1 1 77 77 ALA C C 77 177.642 177.642 177.388 0.254 19774 26 1 1 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.528 1.307 19774 27 1 1 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.626 -0.526 19774 28 1 1 . 1 1 77 77 ALA H H 77 8.446 8.446 7.996 0.450 19774 29 1 1 . 1 1 78 78 GLN N N 78 119.150 119.150 120.213 -1.063 19774 30 1 1 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.258 0.055 19774 31 1 1 . 1 1 78 78 GLN C C 78 176.025 176.025 176.013 0.012 19774 32 1 1 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.776 -0.055 19774 33 1 1 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.067 0.464 19774 34 1 1 . 1 1 78 78 GLN H H 78 8.323 8.323 8.366 -0.043 19774 35 1 1 . 1 1 79 79 MET N N 79 122.456 122.456 120.150 2.306 19774 36 1 1 . 1 1 79 79 MET HA H 79 4.619 4.619 4.939 -0.320 19774 37 1 1 . 1 1 79 79 MET C C 79 177.080 177.080 176.879 0.201 19774 38 1 1 . 1 1 79 79 MET CA C 79 56.021 56.021 54.208 1.813 19774 39 1 1 . 1 1 79 79 MET CB C 79 34.723 34.723 33.247 1.476 19774 40 1 1 . 1 1 79 79 MET H H 79 8.410 8.410 8.127 0.283 19774 41 1 1 . 1 1 80 80 THR N N 80 115.145 115.145 113.864 1.281 19774 42 1 1 . 1 1 80 80 THR HA H 80 4.390 4.390 4.523 -0.133 19774 43 1 1 . 1 1 80 80 THR C C 80 175.463 175.463 175.502 -0.039 19774 44 1 1 . 1 1 80 80 THR CA C 80 61.546 61.546 61.034 0.512 19774 45 1 1 . 1 1 80 80 THR CB C 80 70.845 70.845 70.828 0.017 19774 46 1 1 . 1 1 80 80 THR H H 80 8.915 8.915 8.382 0.533 19774 47 1 1 . 1 1 81 81 GLU N N 81 122.254 122.254 121.552 0.702 19774 48 1 1 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.006 0.001 19774 49 1 1 . 1 1 81 81 GLU C C 81 178.734 178.734 178.792 -0.058 19774 50 1 1 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.025 -0.227 19774 51 1 1 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.079 0.315 19774 52 1 1 . 1 1 81 81 GLU H H 81 9.076 9.076 8.989 0.087 19774 53 1 1 . 1 1 82 82 GLU N N 82 119.436 119.436 117.773 1.663 19774 54 1 1 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.133 -0.010 19774 55 1 1 . 1 1 82 82 GLU C C 82 179.545 179.545 179.120 0.425 19774 56 1 1 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.396 0.429 19774 57 1 1 . 1 1 82 82 GLU CB C 82 29.268 29.268 28.988 0.280 19774 58 1 1 . 1 1 82 82 GLU H H 82 8.839 8.839 8.747 0.092 19774 59 1 1 . 1 1 83 83 GLU N N 83 121.597 121.597 120.292 1.305 19774 60 1 1 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.010 0.092 19774 61 1 1 . 1 1 83 83 GLU C C 83 179.440 179.440 178.823 0.617 19774 62 1 1 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.355 -0.452 19774 63 1 1 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.585 0.442 19774 64 1 1 . 1 1 83 83 GLU H H 83 8.029 8.029 7.668 0.361 19774 65 1 1 . 1 1 84 84 GLN N N 84 120.565 120.565 119.151 1.414 19774 66 1 1 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.069 -0.040 19774 67 1 1 . 1 1 84 84 GLN C C 84 178.689 178.689 178.370 0.319 19774 68 1 1 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.780 0.239 19774 69 1 1 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.500 0.113 19774 70 1 1 . 1 1 84 84 GLN H H 84 8.575 8.575 7.882 0.693 19774 71 1 1 . 1 1 85 85 PHE N N 85 121.525 121.525 120.538 0.987 19774 72 1 1 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.103 0.126 19774 73 1 1 . 1 1 85 85 PHE C C 85 177.713 177.713 176.710 1.003 19774 74 1 1 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.830 -0.507 19774 75 1 1 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.897 -0.177 19774 76 1 1 . 1 1 85 85 PHE H H 85 8.483 8.483 7.945 0.538 19774 77 1 1 . 1 1 86 86 ALA N N 86 121.849 121.849 122.625 -0.776 19774 78 1 1 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.903 0.241 19774 79 1 1 . 1 1 86 86 ALA C C 86 180.283 180.283 179.400 0.883 19774 80 1 1 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.100 -0.405 19774 81 1 1 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.082 0.130 19774 82 1 1 . 1 1 86 86 ALA H H 86 8.072 8.072 8.088 -0.016 19774 83 1 1 . 1 1 87 87 LEU N N 87 120.459 120.459 119.643 0.816 19774 84 1 1 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.927 0.291 19774 85 1 1 . 1 1 87 87 LEU C C 87 178.387 178.387 178.790 -0.403 19774 86 1 1 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.835 -0.578 19774 87 1 1 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.380 0.495 19774 88 1 1 . 1 1 87 87 LEU H H 87 8.010 8.010 8.051 -0.041 19774 89 1 1 . 1 1 88 88 ALA N N 88 122.123 122.123 121.966 0.157 19774 90 1 1 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.965 0.169 19774 91 1 1 . 1 1 88 88 ALA C C 88 180.241 180.241 179.704 0.537 19774 92 1 1 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.828 -0.336 19774 93 1 1 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.090 -0.231 19774 94 1 1 . 1 1 88 88 ALA H H 88 7.981 7.981 7.531 0.450 19774 95 1 1 . 1 1 89 89 LEU N N 89 119.923 119.923 118.312 1.611 19774 96 1 1 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.771 0.363 19774 97 1 1 . 1 1 89 89 LEU C C 89 178.981 178.981 178.852 0.129 19774 98 1 1 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.325 -0.321 19774 99 1 1 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.403 0.542 19774 100 1 1 . 1 1 89 89 LEU H H 89 7.897 7.897 7.389 0.508 19774 101 1 1 . 1 1 90 90 LYS N N 90 120.679 120.679 120.285 0.394 19774 102 1 1 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.930 0.246 19774 103 1 1 . 1 1 90 90 LYS C C 90 178.799 178.799 179.021 -0.222 19774 104 1 1 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.473 -1.274 19774 105 1 1 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.359 0.084 19774 106 1 1 . 1 1 90 90 LYS H H 90 7.913 7.913 7.853 0.060 19774 107 1 1 . 1 1 91 91 MET N N 91 118.958 118.958 118.242 0.716 19774 108 1 1 . 1 1 91 91 MET HA H 91 4.366 4.366 4.070 0.296 19774 109 1 1 . 1 1 91 91 MET C C 91 177.925 177.925 178.358 -0.433 19774 110 1 1 . 1 1 91 91 MET CA C 91 57.121 57.121 59.077 -1.956 19774 111 1 1 . 1 1 91 91 MET CB C 91 32.242 32.242 32.505 -0.263 19774 112 1 1 . 1 1 91 91 MET H H 91 8.392 8.392 8.355 0.037 19774 113 1 1 . 1 1 92 92 SER N N 92 116.458 116.458 115.376 1.082 19774 114 1 1 . 1 1 92 92 SER HA H 92 4.376 4.376 4.348 0.028 19774 115 1 1 . 1 1 92 92 SER C C 92 175.910 175.910 176.725 -0.815 19774 116 1 1 . 1 1 92 92 SER CA C 92 60.139 60.139 61.429 -1.290 19774 117 1 1 . 1 1 92 92 SER CB C 92 63.292 63.292 63.004 0.288 19774 118 1 1 . 1 1 92 92 SER H H 92 8.268 8.268 7.799 0.469 19774 119 1 1 . 1 1 93 93 GLU N N 93 122.379 122.379 121.006 1.373 19774 120 1 1 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.040 0.168 19774 121 1 1 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.071 -1.077 19774 122 1 1 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.272 0.514 19774 123 1 1 . 1 1 93 93 GLU H H 93 8.255 8.255 7.768 0.487 19774 124 1 1 . 1 1 94 94 GLN C C 94 177.043 177.043 178.797 -1.754 19774 125 1 1 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.549 -1.440 19774 126 1 1 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.348 0.623 19774 127 1 1 . 1 1 95 95 GLU N N 95 121.162 121.162 119.524 1.638 19774 128 1 1 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.068 0.098 19774 129 1 1 . 1 1 95 95 GLU C C 95 177.150 177.150 178.681 -1.531 19774 130 1 1 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.876 -1.297 19774 131 1 1 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.361 0.621 19774 132 1 1 . 1 1 95 95 GLU H H 95 8.294 8.294 7.980 0.314 19774 133 1 1 . 1 1 96 96 ALA N N 96 123.599 123.599 121.309 2.290 19774 134 1 1 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.182 0.131 19774 135 1 1 . 1 1 96 96 ALA C C 96 178.276 178.276 179.545 -1.269 19774 136 1 1 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.551 -1.369 19774 137 1 1 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.841 -0.156 19774 138 1 1 . 1 1 96 96 ALA H H 96 8.209 8.209 7.666 0.543 19774 139 1 1 . 1 1 97 97 ARG N N 97 119.759 119.759 116.278 3.481 19774 140 1 1 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.126 0.166 19774 141 1 1 . 1 1 97 97 ARG C C 97 176.904 176.904 177.459 -0.555 19774 142 1 1 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.229 -1.527 19774 143 1 1 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.124 0.746 19774 144 1 1 . 1 1 97 97 ARG H H 97 8.123 8.123 7.759 0.364 19774 145 1 1 . 1 1 98 98 GLU N N 98 121.995 121.995 116.972 5.023 19774 146 1 1 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.238 0.022 19774 147 1 1 . 1 1 98 98 GLU C C 98 176.939 176.939 176.854 0.085 19774 148 1 1 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.496 0.454 19774 149 1 1 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.570 0.481 19774 150 1 1 . 1 1 98 98 GLU H H 98 8.382 8.382 7.617 0.765 19774 151 1 1 . 1 1 99 99 VAL N N 99 121.412 121.412 120.413 0.999 19774 152 1 1 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.880 0.191 19774 153 1 1 . 1 1 99 99 VAL C C 99 176.276 176.276 175.202 1.074 19774 154 1 1 . 1 1 99 99 VAL CA C 99 62.936 62.936 63.107 -0.171 19774 155 1 1 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.042 0.708 19774 156 1 1 . 1 1 99 99 VAL H H 99 8.269 8.269 7.158 1.111 19774 157 1 1 . 1 1 100 100 ASN N N 100 122.455 122.455 124.962 -2.507 19774 158 1 1 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.739 0.080 19774 159 1 1 . 1 1 100 100 ASN C C 100 175.671 175.671 176.146 -0.475 19774 160 1 1 . 1 1 100 100 ASN CA C 100 53.425 53.425 52.460 0.965 19774 161 1 1 . 1 1 100 100 ASN CB C 100 39.040 39.040 38.704 0.336 19774 162 1 1 . 1 1 100 100 ASN H H 100 8.642 8.642 8.607 0.035 19774 163 1 1 . 1 1 101 101 SER N N 101 117.265 117.265 118.614 -1.349 19774 164 1 1 . 1 1 101 101 SER HA H 101 4.408 4.408 4.200 0.208 19774 165 1 1 . 1 1 101 101 SER C C 101 175.147 175.147 175.900 -0.753 19774 166 1 1 . 1 1 101 101 SER CA C 101 59.187 59.187 60.759 -1.572 19774 167 1 1 . 1 1 101 101 SER CB C 101 63.672 63.672 62.972 0.700 19774 168 1 1 . 1 1 101 101 SER H H 101 8.548 8.548 9.030 -0.482 19774 169 1 1 . 1 1 102 102 GLN N N 102 122.686 122.686 119.997 2.689 19774 170 1 1 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.100 0.192 19774 171 1 1 . 1 1 102 102 GLN C C 102 177.127 177.127 178.495 -1.368 19774 172 1 1 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.617 -1.232 19774 173 1 1 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.881 0.919 19774 174 1 1 . 1 1 102 102 GLN H H 102 8.596 8.596 8.693 -0.097 19774 175 1 1 . 1 1 103 103 GLU N N 103 121.071 121.071 120.381 0.690 19774 176 1 1 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.001 0.175 19774 177 1 1 . 1 1 103 103 GLU C C 103 178.080 178.080 178.713 -0.633 19774 178 1 1 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.695 -1.394 19774 179 1 1 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.485 0.216 19774 180 1 1 . 1 1 103 103 GLU H H 103 8.502 8.502 7.733 0.769 19774 181 1 1 . 1 1 104 104 GLU N N 104 121.073 121.073 119.016 2.057 19774 182 1 1 . 1 1 104 104 GLU C C 104 178.186 178.186 179.010 -0.824 19774 183 1 1 . 1 1 104 104 GLU H H 104 8.389 8.389 7.733 0.656 19774 184 1 1 . 1 1 105 105 GLU N N 105 121.561 121.561 121.162 0.399 19774 185 1 1 . 1 1 105 105 GLU C C 105 178.380 178.380 178.620 -0.240 19774 186 1 1 . 1 1 105 105 GLU H H 105 8.454 8.454 7.840 0.614 19774 187 1 1 . 1 1 106 106 GLU N N 106 120.852 120.852 120.161 0.691 19774 188 1 1 . 1 1 106 106 GLU C C 106 178.758 178.758 178.498 0.260 19774 189 1 1 . 1 1 106 106 GLU H H 106 8.473 8.473 8.620 -0.147 19774 190 1 1 . 1 1 107 107 GLU N N 107 120.445 120.445 119.576 0.869 19774 191 1 1 . 1 1 107 107 GLU C C 107 178.661 178.661 178.529 0.132 19774 192 1 1 . 1 1 107 107 GLU H H 107 8.396 8.396 7.765 0.631 19774 193 1 1 . 1 1 108 108 GLU N N 108 121.089 121.089 120.076 1.013 19774 194 1 1 . 1 1 108 108 GLU C C 108 178.454 178.454 179.113 -0.659 19774 195 1 1 . 1 1 108 108 GLU H H 108 8.139 8.139 7.582 0.557 19774 196 1 1 . 1 1 109 109 LEU N N 109 120.552 120.552 120.145 0.407 19774 197 1 1 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.007 0.106 19774 198 1 1 . 1 1 109 109 LEU C C 109 180.104 180.104 179.276 0.828 19774 199 1 1 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.624 0.286 19774 200 1 1 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.829 -0.138 19774 201 1 1 . 1 1 109 109 LEU H H 109 8.097 8.097 8.189 -0.092 19774 202 1 1 . 1 1 110 110 LEU N N 110 121.275 121.275 120.246 1.029 19774 203 1 1 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.954 0.285 19774 204 1 1 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.099 -0.604 19774 205 1 1 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.542 0.114 19774 206 1 1 . 1 1 110 110 LEU H H 110 7.964 7.964 8.211 -0.247 19774 207 1 1 . 1 1 112 112 LYS N N 112 120.602 120.602 119.438 1.164 19774 208 1 1 . 1 1 112 112 LYS C C 112 177.904 177.904 178.587 -0.683 19774 209 1 1 . 1 1 112 112 LYS H H 112 8.279 8.279 7.685 0.594 19774 210 1 1 . 1 1 113 113 ALA N N 113 122.972 122.972 122.448 0.524 19774 211 1 1 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.068 0.214 19774 212 1 1 . 1 1 113 113 ALA C C 113 180.557 180.557 179.828 0.729 19774 213 1 1 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.083 -0.607 19774 214 1 1 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.041 0.225 19774 215 1 1 . 1 1 113 113 ALA H H 113 7.992 7.992 8.264 -0.272 19774 216 1 1 . 1 1 114 114 ILE N N 114 120.299 120.299 118.831 1.468 19774 217 1 1 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.585 0.264 19774 218 1 1 . 1 1 114 114 ILE C C 114 178.314 178.314 177.754 0.560 19774 219 1 1 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.292 -1.509 19774 220 1 1 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.720 0.611 19774 221 1 1 . 1 1 114 114 ILE H H 114 8.231 8.231 7.727 0.504 19774 222 1 1 . 1 1 115 115 ALA N N 115 124.227 124.227 121.634 2.593 19774 223 1 1 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.982 0.226 19774 224 1 1 . 1 1 115 115 ALA C C 115 179.824 179.824 179.898 -0.074 19774 225 1 1 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.357 -0.800 19774 226 1 1 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.052 0.229 19774 227 1 1 . 1 1 115 115 ALA H H 115 8.087 8.087 7.553 0.534 19774 228 1 1 . 1 1 116 116 GLU N N 116 118.344 118.344 117.706 0.638 19774 229 1 1 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.049 0.159 19774 230 1 1 . 1 1 116 116 GLU C C 116 178.142 178.142 178.350 -0.208 19774 231 1 1 . 1 1 116 116 GLU CA C 116 57.988 57.988 58.743 -0.755 19774 232 1 1 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.231 0.422 19774 233 1 1 . 1 1 116 116 GLU H H 116 8.322 8.322 8.133 0.189 19774 234 1 1 . 1 1 117 117 SER N N 117 115.778 115.778 113.968 1.810 19774 235 1 1 . 1 1 117 117 SER HA H 117 4.380 4.380 4.231 0.149 19774 236 1 1 . 1 1 117 117 SER C C 117 175.595 175.595 177.094 -1.499 19774 237 1 1 . 1 1 117 117 SER CA C 117 59.926 59.926 61.377 -1.451 19774 238 1 1 . 1 1 117 117 SER CB C 117 63.351 63.351 63.400 -0.049 19774 239 1 1 . 1 1 117 117 SER H H 117 8.050 8.050 8.032 0.018 19774 240 1 1 . 1 1 118 118 LEU N N 118 122.792 122.792 121.597 1.195 19774 241 1 1 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.166 0.116 19774 242 1 1 . 1 1 118 118 LEU C C 118 177.998 177.998 177.891 0.107 19774 243 1 1 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.342 -1.201 19774 244 1 1 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.060 1.014 19774 245 1 1 . 1 1 118 118 LEU H H 118 7.984 7.984 7.923 0.061 19774 246 1 1 . 1 1 119 119 ASN N N 119 118.030 118.030 115.398 2.632 19774 247 1 1 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.787 -0.084 19774 248 1 1 . 1 1 119 119 ASN C C 119 175.640 175.640 175.778 -0.138 19774 249 1 1 . 1 1 119 119 ASN CA C 119 53.761 53.761 53.615 0.146 19774 250 1 1 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.612 0.211 19774 251 1 1 . 1 1 119 119 ASN H H 119 8.199 8.199 7.772 0.427 19774 252 1 1 . 1 1 120 120 SER N N 120 115.677 115.677 114.517 1.160 19774 253 1 1 . 1 1 120 120 SER HA H 120 4.473 4.473 4.481 -0.008 19774 254 1 1 . 1 1 120 120 SER CA C 120 58.803 58.803 58.240 0.563 19774 255 1 1 . 1 1 120 120 SER CB C 120 63.708 63.708 63.214 0.494 19774 256 1 1 . 1 1 120 120 SER H H 120 8.200 8.200 7.631 0.569 19774 257 1 1 . 1 1 123 123 PRO C C 123 177.186 177.186 176.124 1.062 19774 258 1 1 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.714 0.644 19774 259 1 1 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.329 -0.166 19774 260 1 1 . 1 1 124 124 SER N N 124 116.200 116.200 117.526 -1.326 19774 261 1 1 . 1 1 124 124 SER HA H 124 4.990 4.990 4.303 0.687 19774 262 1 1 . 1 1 124 124 SER C C 124 174.548 174.548 174.382 0.166 19774 263 1 1 . 1 1 124 124 SER CA C 124 58.600 58.600 58.114 0.486 19774 264 1 1 . 1 1 124 124 SER CB C 124 63.727 63.727 64.051 -0.324 19774 265 1 1 . 1 1 124 124 SER H H 124 8.596 8.596 8.296 0.300 19774 266 1 1 . 1 1 125 125 ASP N N 125 122.649 122.649 124.657 -2.008 19774 267 1 1 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.652 -0.044 19774 268 1 1 . 1 1 125 125 ASP C C 125 176.378 176.378 176.909 -0.531 19774 269 1 1 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.508 -0.261 19774 270 1 1 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.471 -0.391 19774 271 1 1 . 1 1 125 125 ASP H H 125 8.427 8.427 8.431 -0.004 19774 272 1 1 . 1 1 126 126 ALA N N 126 124.975 124.975 127.970 -2.995 19774 273 1 1 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.112 0.191 19774 274 1 1 . 1 1 126 126 ALA C C 126 178.138 178.138 178.149 -0.011 19774 275 1 1 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.392 -1.325 19774 276 1 1 . 1 1 126 126 ALA CB C 126 18.919 18.919 19.013 -0.094 19774 277 1 1 . 1 1 126 126 ALA H H 126 8.401 8.401 8.444 -0.043 19774 278 1 1 . 1 1 127 127 SER N N 127 114.892 114.892 114.775 0.117 19774 279 1 1 . 1 1 127 127 SER HA H 127 4.380 4.380 4.322 0.058 19774 280 1 1 . 1 1 127 127 SER C C 127 174.582 174.582 175.010 -0.428 19774 281 1 1 . 1 1 127 127 SER CA C 127 58.826 58.826 58.774 0.052 19774 282 1 1 . 1 1 127 127 SER CB C 127 63.662 63.662 63.070 0.592 19774 283 1 1 . 1 1 127 127 SER H H 127 8.403 8.403 7.860 0.543 19774 284 1 1 . 1 1 128 128 ALA N N 128 125.815 125.815 122.284 3.531 19774 285 1 1 . 1 1 128 128 ALA HA H 128 4.389 4.389 3.993 0.396 19774 286 1 1 . 1 1 128 128 ALA C C 128 177.957 177.957 176.692 1.265 19774 287 1 1 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.271 -0.559 19774 288 1 1 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.300 1.944 19774 289 1 1 . 1 1 128 128 ALA H H 128 8.266 8.266 7.444 0.822 19774 290 1 1 . 1 1 129 129 THR N N 129 113.766 113.766 115.611 -1.845 19774 291 1 1 . 1 1 129 129 THR HA H 129 4.310 4.310 4.294 0.016 19774 292 1 1 . 1 1 129 129 THR C C 129 174.414 174.414 173.995 0.419 19774 293 1 1 . 1 1 129 129 THR CA C 129 62.010 62.010 62.136 -0.126 19774 294 1 1 . 1 1 129 129 THR CB C 129 69.748 69.748 69.626 0.122 19774 295 1 1 . 1 1 129 129 THR H H 129 8.200 8.200 7.726 0.474 19774 296 1 1 . 1 1 130 130 ARG N N 130 124.611 124.611 125.089 -0.478 19774 297 1 1 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.379 0.071 19774 298 1 1 . 1 1 130 130 ARG C C 130 175.443 175.443 176.428 -0.985 19774 299 1 1 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.613 0.366 19774 300 1 1 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.440 0.463 19774 301 1 1 . 1 1 130 130 ARG H H 130 8.457 8.457 8.527 -0.070 19774 302 1 2 . 1 1 -2 -2 LEU N N -2 122.796 122.796 125.578 -2.782 19774 303 1 2 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.449 -0.104 19774 304 1 2 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.144 1.010 19774 305 1 2 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 54.434 1.158 19774 306 1 2 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 40.469 1.759 19774 307 1 2 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.642 0.062 19774 308 1 2 . 1 1 -1 -1 GLY N N -1 110.002 110.002 108.330 1.672 19774 309 1 2 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.869 -0.401 19774 310 1 2 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.072 0.251 19774 311 1 2 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.142 0.406 19774 312 1 2 . 1 1 75 75 LYS N N 75 123.250 123.250 123.398 -0.148 19774 313 1 2 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.260 0.043 19774 314 1 2 . 1 1 75 75 LYS C C 75 176.826 176.826 176.377 0.449 19774 315 1 2 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.560 -0.179 19774 316 1 2 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.941 -0.068 19774 317 1 2 . 1 1 75 75 LYS H H 75 8.447 8.447 8.255 0.192 19774 318 1 2 . 1 1 76 76 ILE N N 76 123.138 123.138 122.022 1.116 19774 319 1 2 . 1 1 76 76 ILE HA H 76 4.092 4.092 3.952 0.140 19774 320 1 2 . 1 1 76 76 ILE C C 76 176.311 176.311 176.607 -0.296 19774 321 1 2 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.345 0.243 19774 322 1 2 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.826 0.743 19774 323 1 2 . 1 1 76 76 ILE H H 76 8.315 8.315 8.165 0.150 19774 324 1 2 . 1 1 77 77 ALA N N 77 127.035 127.035 130.633 -3.598 19774 325 1 2 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.329 -0.071 19774 326 1 2 . 1 1 77 77 ALA C C 77 177.642 177.642 176.978 0.664 19774 327 1 2 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.379 1.456 19774 328 1 2 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.540 -0.440 19774 329 1 2 . 1 1 77 77 ALA H H 77 8.446 8.446 8.072 0.374 19774 330 1 2 . 1 1 78 78 GLN N N 78 119.150 119.150 119.290 -0.140 19774 331 1 2 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.184 0.129 19774 332 1 2 . 1 1 78 78 GLN C C 78 176.025 176.025 176.248 -0.223 19774 333 1 2 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.429 -0.708 19774 334 1 2 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.120 0.411 19774 335 1 2 . 1 1 78 78 GLN H H 78 8.323 8.323 8.352 -0.029 19774 336 1 2 . 1 1 79 79 MET N N 79 122.456 122.456 120.490 1.966 19774 337 1 2 . 1 1 79 79 MET HA H 79 4.619 4.619 4.593 0.026 19774 338 1 2 . 1 1 79 79 MET C C 79 177.080 177.080 176.236 0.844 19774 339 1 2 . 1 1 79 79 MET CA C 79 56.021 56.021 55.710 0.311 19774 340 1 2 . 1 1 79 79 MET CB C 79 34.723 34.723 32.804 1.919 19774 341 1 2 . 1 1 79 79 MET H H 79 8.410 8.410 8.112 0.298 19774 342 1 2 . 1 1 80 80 THR N N 80 115.145 115.145 113.648 1.497 19774 343 1 2 . 1 1 80 80 THR HA H 80 4.390 4.390 4.513 -0.123 19774 344 1 2 . 1 1 80 80 THR C C 80 175.463 175.463 175.723 -0.260 19774 345 1 2 . 1 1 80 80 THR CA C 80 61.546 61.546 60.508 1.038 19774 346 1 2 . 1 1 80 80 THR CB C 80 70.845 70.845 70.564 0.281 19774 347 1 2 . 1 1 80 80 THR H H 80 8.915 8.915 8.017 0.898 19774 348 1 2 . 1 1 81 81 GLU N N 81 122.254 122.254 121.708 0.546 19774 349 1 2 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.021 -0.014 19774 350 1 2 . 1 1 81 81 GLU C C 81 178.734 178.734 179.040 -0.306 19774 351 1 2 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.032 -0.234 19774 352 1 2 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.152 0.242 19774 353 1 2 . 1 1 81 81 GLU H H 81 9.076 9.076 8.954 0.122 19774 354 1 2 . 1 1 82 82 GLU N N 82 119.436 119.436 118.774 0.662 19774 355 1 2 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.158 -0.035 19774 356 1 2 . 1 1 82 82 GLU C C 82 179.545 179.545 179.328 0.217 19774 357 1 2 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.394 0.431 19774 358 1 2 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.072 0.196 19774 359 1 2 . 1 1 82 82 GLU H H 82 8.839 8.839 8.760 0.079 19774 360 1 2 . 1 1 83 83 GLU N N 83 121.597 121.597 119.295 2.302 19774 361 1 2 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.115 -0.013 19774 362 1 2 . 1 1 83 83 GLU C C 83 179.440 179.440 178.961 0.479 19774 363 1 2 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.072 -0.169 19774 364 1 2 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.333 0.694 19774 365 1 2 . 1 1 83 83 GLU H H 83 8.029 8.029 7.642 0.387 19774 366 1 2 . 1 1 84 84 GLN N N 84 120.565 120.565 120.151 0.414 19774 367 1 2 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.072 -0.043 19774 368 1 2 . 1 1 84 84 GLN C C 84 178.689 178.689 178.136 0.553 19774 369 1 2 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.925 0.094 19774 370 1 2 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.650 -0.037 19774 371 1 2 . 1 1 84 84 GLN H H 84 8.575 8.575 8.300 0.275 19774 372 1 2 . 1 1 85 85 PHE N N 85 121.525 121.525 120.445 1.080 19774 373 1 2 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.093 0.136 19774 374 1 2 . 1 1 85 85 PHE C C 85 177.713 177.713 176.720 0.993 19774 375 1 2 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.104 -0.781 19774 376 1 2 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.909 -0.189 19774 377 1 2 . 1 1 85 85 PHE H H 85 8.483 8.483 8.293 0.190 19774 378 1 2 . 1 1 86 86 ALA N N 86 121.849 121.849 122.254 -0.405 19774 379 1 2 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.869 0.275 19774 380 1 2 . 1 1 86 86 ALA C C 86 180.283 180.283 179.379 0.904 19774 381 1 2 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.954 -0.259 19774 382 1 2 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.101 0.111 19774 383 1 2 . 1 1 86 86 ALA H H 86 8.072 8.072 7.931 0.141 19774 384 1 2 . 1 1 87 87 LEU N N 87 120.459 120.459 119.564 0.895 19774 385 1 2 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.903 0.315 19774 386 1 2 . 1 1 87 87 LEU C C 87 178.387 178.387 178.512 -0.125 19774 387 1 2 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.395 -0.138 19774 388 1 2 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.836 0.039 19774 389 1 2 . 1 1 87 87 LEU H H 87 8.010 8.010 8.174 -0.164 19774 390 1 2 . 1 1 88 88 ALA N N 88 122.123 122.123 122.206 -0.083 19774 391 1 2 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.942 0.192 19774 392 1 2 . 1 1 88 88 ALA C C 88 180.241 180.241 179.740 0.501 19774 393 1 2 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.164 -0.672 19774 394 1 2 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.069 -0.210 19774 395 1 2 . 1 1 88 88 ALA H H 88 7.981 7.981 7.910 0.071 19774 396 1 2 . 1 1 89 89 LEU N N 89 119.923 119.923 118.914 1.009 19774 397 1 2 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.998 0.136 19774 398 1 2 . 1 1 89 89 LEU C C 89 178.981 178.981 179.050 -0.069 19774 399 1 2 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.213 -0.209 19774 400 1 2 . 1 1 89 89 LEU CB C 89 41.945 41.945 40.551 1.394 19774 401 1 2 . 1 1 89 89 LEU H H 89 7.897 7.897 7.552 0.345 19774 402 1 2 . 1 1 90 90 LYS N N 90 120.679 120.679 120.520 0.159 19774 403 1 2 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.165 0.011 19774 404 1 2 . 1 1 90 90 LYS C C 90 178.799 178.799 179.198 -0.399 19774 405 1 2 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.342 -1.143 19774 406 1 2 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.451 -0.008 19774 407 1 2 . 1 1 90 90 LYS H H 90 7.913 7.913 7.877 0.036 19774 408 1 2 . 1 1 91 91 MET N N 91 118.958 118.958 117.246 1.712 19774 409 1 2 . 1 1 91 91 MET HA H 91 4.366 4.366 4.214 0.152 19774 410 1 2 . 1 1 91 91 MET C C 91 177.925 177.925 178.617 -0.692 19774 411 1 2 . 1 1 91 91 MET CA C 91 57.121 57.121 57.314 -0.193 19774 412 1 2 . 1 1 91 91 MET CB C 91 32.242 32.242 31.719 0.523 19774 413 1 2 . 1 1 91 91 MET H H 91 8.392 8.392 8.045 0.347 19774 414 1 2 . 1 1 92 92 SER N N 92 116.458 116.458 115.694 0.764 19774 415 1 2 . 1 1 92 92 SER HA H 92 4.376 4.376 4.171 0.205 19774 416 1 2 . 1 1 92 92 SER C C 92 175.910 175.910 176.919 -1.009 19774 417 1 2 . 1 1 92 92 SER CA C 92 60.139 60.139 61.314 -1.175 19774 418 1 2 . 1 1 92 92 SER CB C 92 63.292 63.292 62.580 0.712 19774 419 1 2 . 1 1 92 92 SER H H 92 8.268 8.268 7.868 0.400 19774 420 1 2 . 1 1 93 93 GLU N N 93 122.379 122.379 122.036 0.343 19774 421 1 2 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.911 0.297 19774 422 1 2 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.264 -1.270 19774 423 1 2 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.448 0.338 19774 424 1 2 . 1 1 93 93 GLU H H 93 8.255 8.255 7.877 0.378 19774 425 1 2 . 1 1 94 94 GLN C C 94 177.043 177.043 179.107 -2.064 19774 426 1 2 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.731 -1.622 19774 427 1 2 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.721 0.250 19774 428 1 2 . 1 1 95 95 GLU N N 95 121.162 121.162 119.993 1.169 19774 429 1 2 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.074 0.092 19774 430 1 2 . 1 1 95 95 GLU C C 95 177.150 177.150 178.455 -1.305 19774 431 1 2 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.843 -1.264 19774 432 1 2 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.422 0.560 19774 433 1 2 . 1 1 95 95 GLU H H 95 8.294 8.294 8.027 0.267 19774 434 1 2 . 1 1 96 96 ALA N N 96 123.599 123.599 121.139 2.460 19774 435 1 2 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.267 0.046 19774 436 1 2 . 1 1 96 96 ALA C C 96 178.276 178.276 178.070 0.206 19774 437 1 2 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.433 -1.251 19774 438 1 2 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.657 0.028 19774 439 1 2 . 1 1 96 96 ALA H H 96 8.209 8.209 7.643 0.566 19774 440 1 2 . 1 1 97 97 ARG N N 97 119.759 119.759 115.653 4.106 19774 441 1 2 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.161 0.131 19774 442 1 2 . 1 1 97 97 ARG C C 97 176.904 176.904 177.631 -0.727 19774 443 1 2 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.013 -1.311 19774 444 1 2 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.469 0.401 19774 445 1 2 . 1 1 97 97 ARG H H 97 8.123 8.123 7.392 0.731 19774 446 1 2 . 1 1 98 98 GLU N N 98 121.995 121.995 116.512 5.483 19774 447 1 2 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.316 -0.056 19774 448 1 2 . 1 1 98 98 GLU C C 98 176.939 176.939 176.832 0.107 19774 449 1 2 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.425 0.525 19774 450 1 2 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.978 -0.927 19774 451 1 2 . 1 1 98 98 GLU H H 98 8.382 8.382 7.732 0.650 19774 452 1 2 . 1 1 99 99 VAL N N 99 121.412 121.412 120.964 0.448 19774 453 1 2 . 1 1 99 99 VAL HA H 99 4.071 4.071 4.046 0.025 19774 454 1 2 . 1 1 99 99 VAL C C 99 176.276 176.276 175.833 0.443 19774 455 1 2 . 1 1 99 99 VAL CA C 99 62.936 62.936 61.724 1.212 19774 456 1 2 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.454 0.296 19774 457 1 2 . 1 1 99 99 VAL H H 99 8.269 8.269 7.908 0.361 19774 458 1 2 . 1 1 100 100 ASN N N 100 122.455 122.455 121.257 1.198 19774 459 1 2 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.601 0.218 19774 460 1 2 . 1 1 100 100 ASN C C 100 175.671 175.671 176.709 -1.038 19774 461 1 2 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.663 -0.238 19774 462 1 2 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.423 -0.383 19774 463 1 2 . 1 1 100 100 ASN H H 100 8.642 8.642 8.416 0.226 19774 464 1 2 . 1 1 101 101 SER N N 101 117.265 117.265 117.020 0.245 19774 465 1 2 . 1 1 101 101 SER HA H 101 4.408 4.408 4.145 0.263 19774 466 1 2 . 1 1 101 101 SER C C 101 175.147 175.147 176.069 -0.922 19774 467 1 2 . 1 1 101 101 SER CA C 101 59.187 59.187 61.464 -2.277 19774 468 1 2 . 1 1 101 101 SER CB C 101 63.672 63.672 63.058 0.614 19774 469 1 2 . 1 1 101 101 SER H H 101 8.548 8.548 8.743 -0.195 19774 470 1 2 . 1 1 102 102 GLN N N 102 122.686 122.686 120.472 2.214 19774 471 1 2 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.025 0.267 19774 472 1 2 . 1 1 102 102 GLN C C 102 177.127 177.127 178.307 -1.180 19774 473 1 2 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.993 -1.608 19774 474 1 2 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.756 1.044 19774 475 1 2 . 1 1 102 102 GLN H H 102 8.596 8.596 8.657 -0.061 19774 476 1 2 . 1 1 103 103 GLU N N 103 121.071 121.071 119.700 1.371 19774 477 1 2 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.046 0.130 19774 478 1 2 . 1 1 103 103 GLU C C 103 178.080 178.080 178.633 -0.553 19774 479 1 2 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.290 -0.989 19774 480 1 2 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.384 0.317 19774 481 1 2 . 1 1 103 103 GLU H H 103 8.502 8.502 7.676 0.826 19774 482 1 2 . 1 1 104 104 GLU N N 104 121.073 121.073 119.851 1.222 19774 483 1 2 . 1 1 104 104 GLU C C 104 178.186 178.186 178.793 -0.607 19774 484 1 2 . 1 1 104 104 GLU H H 104 8.389 8.389 7.549 0.840 19774 485 1 2 . 1 1 105 105 GLU N N 105 121.561 121.561 119.518 2.043 19774 486 1 2 . 1 1 105 105 GLU C C 105 178.380 178.380 178.860 -0.480 19774 487 1 2 . 1 1 105 105 GLU H H 105 8.454 8.454 7.939 0.515 19774 488 1 2 . 1 1 106 106 GLU N N 106 120.852 120.852 119.367 1.485 19774 489 1 2 . 1 1 106 106 GLU C C 106 178.758 178.758 178.922 -0.164 19774 490 1 2 . 1 1 106 106 GLU H H 106 8.473 8.473 7.619 0.854 19774 491 1 2 . 1 1 107 107 GLU N N 107 120.445 120.445 119.642 0.803 19774 492 1 2 . 1 1 107 107 GLU C C 107 178.661 178.661 178.837 -0.176 19774 493 1 2 . 1 1 107 107 GLU H H 107 8.396 8.396 7.945 0.451 19774 494 1 2 . 1 1 108 108 GLU N N 108 121.089 121.089 120.454 0.635 19774 495 1 2 . 1 1 108 108 GLU C C 108 178.454 178.454 179.026 -0.572 19774 496 1 2 . 1 1 108 108 GLU H H 108 8.139 8.139 7.899 0.240 19774 497 1 2 . 1 1 109 109 LEU N N 109 120.552 120.552 119.820 0.732 19774 498 1 2 . 1 1 109 109 LEU HA H 109 4.113 4.113 3.983 0.130 19774 499 1 2 . 1 1 109 109 LEU C C 109 180.104 180.104 178.979 1.125 19774 500 1 2 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.886 0.024 19774 501 1 2 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.770 -0.078 19774 502 1 2 . 1 1 109 109 LEU H H 109 8.097 8.097 7.775 0.322 19774 503 1 2 . 1 1 110 110 LEU N N 110 121.275 121.275 120.378 0.897 19774 504 1 2 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.921 0.318 19774 505 1 2 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.359 -0.864 19774 506 1 2 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.953 -0.297 19774 507 1 2 . 1 1 110 110 LEU H H 110 7.964 7.964 7.991 -0.027 19774 508 1 2 . 1 1 112 112 LYS N N 112 120.602 120.602 119.640 0.962 19774 509 1 2 . 1 1 112 112 LYS C C 112 177.904 177.904 178.526 -0.622 19774 510 1 2 . 1 1 112 112 LYS H H 112 8.279 8.279 7.846 0.433 19774 511 1 2 . 1 1 113 113 ALA N N 113 122.972 122.972 122.075 0.897 19774 512 1 2 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.259 0.023 19774 513 1 2 . 1 1 113 113 ALA C C 113 180.557 180.557 180.010 0.547 19774 514 1 2 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.918 -0.442 19774 515 1 2 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.332 -0.066 19774 516 1 2 . 1 1 113 113 ALA H H 113 7.992 7.992 7.830 0.162 19774 517 1 2 . 1 1 114 114 ILE N N 114 120.299 120.299 118.897 1.402 19774 518 1 2 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.627 0.222 19774 519 1 2 . 1 1 114 114 ILE C C 114 178.314 178.314 177.756 0.558 19774 520 1 2 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.198 -1.415 19774 521 1 2 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.881 0.450 19774 522 1 2 . 1 1 114 114 ILE H H 114 8.231 8.231 7.644 0.587 19774 523 1 2 . 1 1 115 115 ALA N N 115 124.227 124.227 122.007 2.220 19774 524 1 2 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.955 0.253 19774 525 1 2 . 1 1 115 115 ALA C C 115 179.824 179.824 179.619 0.205 19774 526 1 2 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.412 -0.855 19774 527 1 2 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.960 0.321 19774 528 1 2 . 1 1 115 115 ALA H H 115 8.087 8.087 7.962 0.125 19774 529 1 2 . 1 1 116 116 GLU N N 116 118.344 118.344 118.912 -0.568 19774 530 1 2 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.917 0.291 19774 531 1 2 . 1 1 116 116 GLU C C 116 178.142 178.142 179.294 -1.152 19774 532 1 2 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.277 -1.289 19774 533 1 2 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.490 0.163 19774 534 1 2 . 1 1 116 116 GLU H H 116 8.322 8.322 8.414 -0.092 19774 535 1 2 . 1 1 117 117 SER N N 117 115.778 115.778 114.861 0.917 19774 536 1 2 . 1 1 117 117 SER HA H 117 4.380 4.380 4.207 0.173 19774 537 1 2 . 1 1 117 117 SER C C 117 175.595 175.595 175.793 -0.198 19774 538 1 2 . 1 1 117 117 SER CA C 117 59.926 59.926 61.888 -1.962 19774 539 1 2 . 1 1 117 117 SER CB C 117 63.351 63.351 63.292 0.059 19774 540 1 2 . 1 1 117 117 SER H H 117 8.050 8.050 7.733 0.317 19774 541 1 2 . 1 1 118 118 LEU N N 118 122.792 122.792 119.470 3.322 19774 542 1 2 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.233 0.049 19774 543 1 2 . 1 1 118 118 LEU C C 118 177.998 177.998 178.388 -0.390 19774 544 1 2 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.032 -0.891 19774 545 1 2 . 1 1 118 118 LEU CB C 118 42.074 42.074 42.332 -0.258 19774 546 1 2 . 1 1 118 118 LEU H H 118 7.984 7.984 7.555 0.429 19774 547 1 2 . 1 1 119 119 ASN N N 119 118.030 118.030 118.254 -0.224 19774 548 1 2 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.587 0.116 19774 549 1 2 . 1 1 119 119 ASN C C 119 175.640 175.640 176.577 -0.937 19774 550 1 2 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.323 -1.562 19774 551 1 2 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.555 0.268 19774 552 1 2 . 1 1 119 119 ASN H H 119 8.199 8.199 8.760 -0.561 19774 553 1 2 . 1 1 120 120 SER N N 120 115.677 115.677 114.607 1.070 19774 554 1 2 . 1 1 120 120 SER HA H 120 4.473 4.473 4.354 0.119 19774 555 1 2 . 1 1 120 120 SER CA C 120 58.803 58.803 59.657 -0.854 19774 556 1 2 . 1 1 120 120 SER CB C 120 63.708 63.708 63.700 0.008 19774 557 1 2 . 1 1 120 120 SER H H 120 8.200 8.200 7.820 0.380 19774 558 1 2 . 1 1 123 123 PRO C C 123 177.186 177.186 176.467 0.719 19774 559 1 2 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.764 0.594 19774 560 1 2 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.353 -0.190 19774 561 1 2 . 1 1 124 124 SER N N 124 116.200 116.200 118.325 -2.125 19774 562 1 2 . 1 1 124 124 SER HA H 124 4.990 4.990 4.290 0.700 19774 563 1 2 . 1 1 124 124 SER C C 124 174.548 174.548 174.568 -0.020 19774 564 1 2 . 1 1 124 124 SER CA C 124 58.600 58.600 58.863 -0.263 19774 565 1 2 . 1 1 124 124 SER CB C 124 63.727 63.727 63.689 0.038 19774 566 1 2 . 1 1 124 124 SER H H 124 8.596 8.596 8.322 0.274 19774 567 1 2 . 1 1 125 125 ASP N N 125 122.649 122.649 123.987 -1.338 19774 568 1 2 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.675 -0.067 19774 569 1 2 . 1 1 125 125 ASP C C 125 176.378 176.378 177.420 -1.042 19774 570 1 2 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.427 -0.180 19774 571 1 2 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.580 -0.500 19774 572 1 2 . 1 1 125 125 ASP H H 125 8.427 8.427 8.550 -0.123 19774 573 1 2 . 1 1 126 126 ALA N N 126 124.975 124.975 126.731 -1.756 19774 574 1 2 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.111 0.192 19774 575 1 2 . 1 1 126 126 ALA C C 126 178.138 178.138 178.054 0.084 19774 576 1 2 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.530 -1.463 19774 577 1 2 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.927 -0.008 19774 578 1 2 . 1 1 126 126 ALA H H 126 8.401 8.401 8.546 -0.145 19774 579 1 2 . 1 1 127 127 SER N N 127 114.892 114.892 113.333 1.559 19774 580 1 2 . 1 1 127 127 SER HA H 127 4.380 4.380 4.373 0.007 19774 581 1 2 . 1 1 127 127 SER C C 127 174.582 174.582 174.254 0.328 19774 582 1 2 . 1 1 127 127 SER CA C 127 58.826 58.826 58.723 0.103 19774 583 1 2 . 1 1 127 127 SER CB C 127 63.662 63.662 63.243 0.419 19774 584 1 2 . 1 1 127 127 SER H H 127 8.403 8.403 7.998 0.405 19774 585 1 2 . 1 1 128 128 ALA N N 128 125.815 125.815 120.028 5.787 19774 586 1 2 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.071 0.318 19774 587 1 2 . 1 1 128 128 ALA C C 128 177.957 177.957 176.206 1.751 19774 588 1 2 . 1 1 128 128 ALA CA C 128 52.712 52.712 52.945 -0.233 19774 589 1 2 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.290 1.954 19774 590 1 2 . 1 1 128 128 ALA H H 128 8.266 8.266 7.901 0.365 19774 591 1 2 . 1 1 129 129 THR N N 129 113.766 113.766 116.129 -2.363 19774 592 1 2 . 1 1 129 129 THR HA H 129 4.310 4.310 4.405 -0.095 19774 593 1 2 . 1 1 129 129 THR C C 129 174.414 174.414 173.590 0.824 19774 594 1 2 . 1 1 129 129 THR CA C 129 62.010 62.010 61.852 0.158 19774 595 1 2 . 1 1 129 129 THR CB C 129 69.748 69.748 69.198 0.550 19774 596 1 2 . 1 1 129 129 THR H H 129 8.200 8.200 7.805 0.395 19774 597 1 2 . 1 1 130 130 ARG N N 130 124.611 124.611 125.371 -0.760 19774 598 1 2 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.504 -0.054 19774 599 1 2 . 1 1 130 130 ARG C C 130 175.443 175.443 174.904 0.539 19774 600 1 2 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.815 0.164 19774 601 1 2 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.158 -0.255 19774 602 1 2 . 1 1 130 130 ARG H H 130 8.457 8.457 8.634 -0.177 19774 603 1 3 . 1 1 -2 -2 LEU N N -2 122.796 122.796 119.672 3.124 19774 604 1 3 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.436 -0.091 19774 605 1 3 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.832 0.322 19774 606 1 3 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 54.808 0.784 19774 607 1 3 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.264 0.964 19774 608 1 3 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.381 0.323 19774 609 1 3 . 1 1 -1 -1 GLY N N -1 110.002 110.002 104.938 5.064 19774 610 1 3 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.857 -0.389 19774 611 1 3 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.142 0.181 19774 612 1 3 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.135 0.413 19774 613 1 3 . 1 1 75 75 LYS N N 75 123.250 123.250 121.659 1.591 19774 614 1 3 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.278 0.025 19774 615 1 3 . 1 1 75 75 LYS C C 75 176.826 176.826 175.982 0.844 19774 616 1 3 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.176 0.205 19774 617 1 3 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.933 -0.059 19774 618 1 3 . 1 1 75 75 LYS H H 75 8.447 8.447 8.253 0.194 19774 619 1 3 . 1 1 76 76 ILE N N 76 123.138 123.138 121.745 1.393 19774 620 1 3 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.091 0.001 19774 621 1 3 . 1 1 76 76 ILE C C 76 176.311 176.311 176.594 -0.283 19774 622 1 3 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.227 1.361 19774 623 1 3 . 1 1 76 76 ILE CB C 76 38.569 38.569 36.857 1.712 19774 624 1 3 . 1 1 76 76 ILE H H 76 8.315 8.315 8.198 0.117 19774 625 1 3 . 1 1 77 77 ALA N N 77 127.035 127.035 130.167 -3.132 19774 626 1 3 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.247 0.011 19774 627 1 3 . 1 1 77 77 ALA C C 77 177.642 177.642 177.278 0.364 19774 628 1 3 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.982 0.853 19774 629 1 3 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.309 -0.209 19774 630 1 3 . 1 1 77 77 ALA H H 77 8.446 8.446 8.052 0.394 19774 631 1 3 . 1 1 78 78 GLN N N 78 119.150 119.150 121.418 -2.268 19774 632 1 3 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.156 0.157 19774 633 1 3 . 1 1 78 78 GLN C C 78 176.025 176.025 175.433 0.592 19774 634 1 3 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.279 -0.558 19774 635 1 3 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.246 0.285 19774 636 1 3 . 1 1 78 78 GLN H H 78 8.323 8.323 8.364 -0.041 19774 637 1 3 . 1 1 79 79 MET N N 79 122.456 122.456 123.541 -1.085 19774 638 1 3 . 1 1 79 79 MET HA H 79 4.619 4.619 4.491 0.128 19774 639 1 3 . 1 1 79 79 MET C C 79 177.080 177.080 177.004 0.076 19774 640 1 3 . 1 1 79 79 MET CA C 79 56.021 56.021 55.276 0.744 19774 641 1 3 . 1 1 79 79 MET CB C 79 34.723 34.723 33.634 1.089 19774 642 1 3 . 1 1 79 79 MET H H 79 8.410 8.410 8.181 0.229 19774 643 1 3 . 1 1 80 80 THR N N 80 115.145 115.145 116.691 -1.546 19774 644 1 3 . 1 1 80 80 THR HA H 80 4.390 4.390 4.423 -0.033 19774 645 1 3 . 1 1 80 80 THR C C 80 175.463 175.463 175.753 -0.290 19774 646 1 3 . 1 1 80 80 THR CA C 80 61.546 61.546 61.034 0.512 19774 647 1 3 . 1 1 80 80 THR CB C 80 70.845 70.845 70.390 0.455 19774 648 1 3 . 1 1 80 80 THR H H 80 8.915 8.915 8.674 0.241 19774 649 1 3 . 1 1 81 81 GLU N N 81 122.254 122.254 121.934 0.320 19774 650 1 3 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.986 0.021 19774 651 1 3 . 1 1 81 81 GLU C C 81 178.734 178.734 178.777 -0.043 19774 652 1 3 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.279 -0.481 19774 653 1 3 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.103 0.291 19774 654 1 3 . 1 1 81 81 GLU H H 81 9.076 9.076 8.944 0.132 19774 655 1 3 . 1 1 82 82 GLU N N 82 119.436 119.436 119.515 -0.079 19774 656 1 3 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.092 0.031 19774 657 1 3 . 1 1 82 82 GLU C C 82 179.545 179.545 178.836 0.709 19774 658 1 3 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.521 0.304 19774 659 1 3 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.253 0.015 19774 660 1 3 . 1 1 82 82 GLU H H 82 8.839 8.839 8.799 0.040 19774 661 1 3 . 1 1 83 83 GLU N N 83 121.597 121.597 120.067 1.530 19774 662 1 3 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.023 0.079 19774 663 1 3 . 1 1 83 83 GLU C C 83 179.440 179.440 178.826 0.614 19774 664 1 3 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.366 -0.463 19774 665 1 3 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.596 0.431 19774 666 1 3 . 1 1 83 83 GLU H H 83 8.029 8.029 7.779 0.250 19774 667 1 3 . 1 1 84 84 GLN N N 84 120.565 120.565 119.370 1.195 19774 668 1 3 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.103 -0.074 19774 669 1 3 . 1 1 84 84 GLN C C 84 178.689 178.689 178.145 0.544 19774 670 1 3 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.734 0.285 19774 671 1 3 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.438 0.175 19774 672 1 3 . 1 1 84 84 GLN H H 84 8.575 8.575 8.218 0.357 19774 673 1 3 . 1 1 85 85 PHE N N 85 121.525 121.525 120.709 0.816 19774 674 1 3 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.120 0.109 19774 675 1 3 . 1 1 85 85 PHE C C 85 177.713 177.713 176.754 0.959 19774 676 1 3 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.011 -0.688 19774 677 1 3 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.751 -0.031 19774 678 1 3 . 1 1 85 85 PHE H H 85 8.483 8.483 8.192 0.291 19774 679 1 3 . 1 1 86 86 ALA N N 86 121.849 121.849 122.366 -0.517 19774 680 1 3 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.919 0.225 19774 681 1 3 . 1 1 86 86 ALA C C 86 180.283 180.283 179.630 0.653 19774 682 1 3 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.117 -0.422 19774 683 1 3 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.187 0.025 19774 684 1 3 . 1 1 86 86 ALA H H 86 8.072 8.072 8.031 0.041 19774 685 1 3 . 1 1 87 87 LEU N N 87 120.459 120.459 119.072 1.387 19774 686 1 3 . 1 1 87 87 LEU HA H 87 4.218 4.218 4.000 0.218 19774 687 1 3 . 1 1 87 87 LEU C C 87 178.387 178.387 179.111 -0.724 19774 688 1 3 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.413 -0.156 19774 689 1 3 . 1 1 87 87 LEU CB C 87 41.875 41.875 40.750 1.125 19774 690 1 3 . 1 1 87 87 LEU H H 87 8.010 8.010 8.014 -0.004 19774 691 1 3 . 1 1 88 88 ALA N N 88 122.123 122.123 122.261 -0.138 19774 692 1 3 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.963 0.171 19774 693 1 3 . 1 1 88 88 ALA C C 88 180.241 180.241 179.885 0.356 19774 694 1 3 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.938 -0.446 19774 695 1 3 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.266 -0.407 19774 696 1 3 . 1 1 88 88 ALA H H 88 7.981 7.981 7.841 0.140 19774 697 1 3 . 1 1 89 89 LEU N N 89 119.923 119.923 118.881 1.042 19774 698 1 3 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.873 0.261 19774 699 1 3 . 1 1 89 89 LEU C C 89 178.981 178.981 179.287 -0.306 19774 700 1 3 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.005 -0.001 19774 701 1 3 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.456 0.488 19774 702 1 3 . 1 1 89 89 LEU H H 89 7.897 7.897 7.672 0.225 19774 703 1 3 . 1 1 90 90 LYS N N 90 120.679 120.679 119.640 1.039 19774 704 1 3 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.948 0.228 19774 705 1 3 . 1 1 90 90 LYS C C 90 178.799 178.799 178.668 0.131 19774 706 1 3 . 1 1 90 90 LYS CA C 90 58.199 58.199 58.942 -0.743 19774 707 1 3 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.110 0.333 19774 708 1 3 . 1 1 90 90 LYS H H 90 7.913 7.913 7.845 0.068 19774 709 1 3 . 1 1 91 91 MET N N 91 118.958 118.958 118.203 0.755 19774 710 1 3 . 1 1 91 91 MET HA H 91 4.366 4.366 4.062 0.304 19774 711 1 3 . 1 1 91 91 MET C C 91 177.925 177.925 178.272 -0.347 19774 712 1 3 . 1 1 91 91 MET CA C 91 57.121 57.121 59.373 -2.252 19774 713 1 3 . 1 1 91 91 MET CB C 91 32.242 32.242 32.604 -0.362 19774 714 1 3 . 1 1 91 91 MET H H 91 8.392 8.392 8.188 0.204 19774 715 1 3 . 1 1 92 92 SER N N 92 116.458 116.458 115.200 1.258 19774 716 1 3 . 1 1 92 92 SER HA H 92 4.376 4.376 4.105 0.271 19774 717 1 3 . 1 1 92 92 SER C C 92 175.910 175.910 177.087 -1.177 19774 718 1 3 . 1 1 92 92 SER CA C 92 60.139 60.139 61.452 -1.313 19774 719 1 3 . 1 1 92 92 SER CB C 92 63.292 63.292 62.786 0.506 19774 720 1 3 . 1 1 92 92 SER H H 92 8.268 8.268 7.957 0.311 19774 721 1 3 . 1 1 93 93 GLU N N 93 122.379 122.379 121.821 0.558 19774 722 1 3 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.996 0.212 19774 723 1 3 . 1 1 93 93 GLU CA C 93 57.993 57.993 58.987 -0.994 19774 724 1 3 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.164 0.622 19774 725 1 3 . 1 1 93 93 GLU H H 93 8.255 8.255 7.900 0.355 19774 726 1 3 . 1 1 94 94 GLN C C 94 177.043 177.043 179.203 -2.160 19774 727 1 3 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.389 -1.280 19774 728 1 3 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.391 0.580 19774 729 1 3 . 1 1 95 95 GLU N N 95 121.162 121.162 119.589 1.573 19774 730 1 3 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.174 -0.008 19774 731 1 3 . 1 1 95 95 GLU C C 95 177.150 177.150 178.655 -1.505 19774 732 1 3 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.446 -0.867 19774 733 1 3 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.327 0.655 19774 734 1 3 . 1 1 95 95 GLU H H 95 8.294 8.294 7.987 0.307 19774 735 1 3 . 1 1 96 96 ALA N N 96 123.599 123.599 122.050 1.549 19774 736 1 3 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.034 0.279 19774 737 1 3 . 1 1 96 96 ALA C C 96 178.276 178.276 179.346 -1.070 19774 738 1 3 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.532 -1.350 19774 739 1 3 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.255 0.430 19774 740 1 3 . 1 1 96 96 ALA H H 96 8.209 8.209 8.347 -0.138 19774 741 1 3 . 1 1 97 97 ARG N N 97 119.759 119.759 116.592 3.167 19774 742 1 3 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.080 0.212 19774 743 1 3 . 1 1 97 97 ARG C C 97 176.904 176.904 177.595 -0.691 19774 744 1 3 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.483 -1.781 19774 745 1 3 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.279 0.592 19774 746 1 3 . 1 1 97 97 ARG H H 97 8.123 8.123 7.402 0.721 19774 747 1 3 . 1 1 98 98 GLU N N 98 121.995 121.995 115.900 6.095 19774 748 1 3 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.278 -0.018 19774 749 1 3 . 1 1 98 98 GLU C C 98 176.939 176.939 176.512 0.427 19774 750 1 3 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.267 0.683 19774 751 1 3 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.332 -0.281 19774 752 1 3 . 1 1 98 98 GLU H H 98 8.382 8.382 7.682 0.700 19774 753 1 3 . 1 1 99 99 VAL N N 99 121.412 121.412 120.699 0.713 19774 754 1 3 . 1 1 99 99 VAL HA H 99 4.071 4.071 4.002 0.069 19774 755 1 3 . 1 1 99 99 VAL C C 99 176.276 176.276 175.933 0.343 19774 756 1 3 . 1 1 99 99 VAL CA C 99 62.936 62.936 61.997 0.939 19774 757 1 3 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.444 0.306 19774 758 1 3 . 1 1 99 99 VAL H H 99 8.269 8.269 7.409 0.860 19774 759 1 3 . 1 1 100 100 ASN N N 100 122.455 122.455 121.877 0.578 19774 760 1 3 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.583 0.236 19774 761 1 3 . 1 1 100 100 ASN C C 100 175.671 175.671 176.952 -1.281 19774 762 1 3 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.772 -0.347 19774 763 1 3 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.490 -0.451 19774 764 1 3 . 1 1 100 100 ASN H H 100 8.642 8.642 8.436 0.206 19774 765 1 3 . 1 1 101 101 SER N N 101 117.265 117.265 117.065 0.200 19774 766 1 3 . 1 1 101 101 SER HA H 101 4.408 4.408 4.140 0.268 19774 767 1 3 . 1 1 101 101 SER C C 101 175.147 175.147 175.945 -0.798 19774 768 1 3 . 1 1 101 101 SER CA C 101 59.187 59.187 61.532 -2.345 19774 769 1 3 . 1 1 101 101 SER CB C 101 63.672 63.672 62.704 0.968 19774 770 1 3 . 1 1 101 101 SER H H 101 8.548 8.548 8.791 -0.243 19774 771 1 3 . 1 1 102 102 GLN N N 102 122.686 122.686 120.285 2.401 19774 772 1 3 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.059 0.233 19774 773 1 3 . 1 1 102 102 GLN C C 102 177.127 177.127 177.390 -0.263 19774 774 1 3 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.640 -1.255 19774 775 1 3 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.874 0.926 19774 776 1 3 . 1 1 102 102 GLN H H 102 8.596 8.596 8.592 0.004 19774 777 1 3 . 1 1 103 103 GLU N N 103 121.071 121.071 119.356 1.715 19774 778 1 3 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.041 0.135 19774 779 1 3 . 1 1 103 103 GLU C C 103 178.080 178.080 178.606 -0.526 19774 780 1 3 . 1 1 103 103 GLU CA C 103 58.301 58.301 58.851 -0.550 19774 781 1 3 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.035 0.666 19774 782 1 3 . 1 1 103 103 GLU H H 103 8.502 8.502 8.444 0.058 19774 783 1 3 . 1 1 104 104 GLU N N 104 121.073 121.073 119.277 1.796 19774 784 1 3 . 1 1 104 104 GLU C C 104 178.186 178.186 178.956 -0.770 19774 785 1 3 . 1 1 104 104 GLU H H 104 8.389 8.389 8.273 0.116 19774 786 1 3 . 1 1 105 105 GLU N N 105 121.561 121.561 119.014 2.547 19774 787 1 3 . 1 1 105 105 GLU C C 105 178.380 178.380 179.130 -0.750 19774 788 1 3 . 1 1 105 105 GLU H H 105 8.454 8.454 7.692 0.762 19774 789 1 3 . 1 1 106 106 GLU N N 106 120.852 120.852 120.118 0.734 19774 790 1 3 . 1 1 106 106 GLU C C 106 178.758 178.758 178.560 0.198 19774 791 1 3 . 1 1 106 106 GLU H H 106 8.473 8.473 7.734 0.739 19774 792 1 3 . 1 1 107 107 GLU N N 107 120.445 120.445 120.040 0.405 19774 793 1 3 . 1 1 107 107 GLU C C 107 178.661 178.661 178.951 -0.290 19774 794 1 3 . 1 1 107 107 GLU H H 107 8.396 8.396 8.192 0.204 19774 795 1 3 . 1 1 108 108 GLU N N 108 121.089 121.089 119.571 1.518 19774 796 1 3 . 1 1 108 108 GLU C C 108 178.454 178.454 179.422 -0.968 19774 797 1 3 . 1 1 108 108 GLU H H 108 8.139 8.139 7.683 0.456 19774 798 1 3 . 1 1 109 109 LEU N N 109 120.552 120.552 120.516 0.036 19774 799 1 3 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.071 0.042 19774 800 1 3 . 1 1 109 109 LEU C C 109 180.104 180.104 178.993 1.111 19774 801 1 3 . 1 1 109 109 LEU CA C 109 57.910 57.910 58.118 -0.208 19774 802 1 3 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.776 -0.084 19774 803 1 3 . 1 1 109 109 LEU H H 109 8.097 8.097 7.619 0.478 19774 804 1 3 . 1 1 110 110 LEU N N 110 121.275 121.275 119.265 2.010 19774 805 1 3 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.878 0.361 19774 806 1 3 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.987 -0.492 19774 807 1 3 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.433 0.223 19774 808 1 3 . 1 1 110 110 LEU H H 110 7.964 7.964 8.217 -0.253 19774 809 1 3 . 1 1 112 112 LYS N N 112 120.602 120.602 118.947 1.655 19774 810 1 3 . 1 1 112 112 LYS C C 112 177.904 177.904 178.600 -0.696 19774 811 1 3 . 1 1 112 112 LYS H H 112 8.279 8.279 7.707 0.572 19774 812 1 3 . 1 1 113 113 ALA N N 113 122.972 122.972 122.435 0.537 19774 813 1 3 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.101 0.181 19774 814 1 3 . 1 1 113 113 ALA C C 113 180.557 180.557 180.080 0.477 19774 815 1 3 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.035 -0.559 19774 816 1 3 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.117 0.149 19774 817 1 3 . 1 1 113 113 ALA H H 113 7.992 7.992 7.607 0.385 19774 818 1 3 . 1 1 114 114 ILE N N 114 120.299 120.299 119.327 0.972 19774 819 1 3 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.721 0.128 19774 820 1 3 . 1 1 114 114 ILE C C 114 178.314 178.314 177.732 0.582 19774 821 1 3 . 1 1 114 114 ILE CA C 114 63.783 63.783 64.365 -0.582 19774 822 1 3 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.773 0.558 19774 823 1 3 . 1 1 114 114 ILE H H 114 8.231 8.231 7.632 0.599 19774 824 1 3 . 1 1 115 115 ALA N N 115 124.227 124.227 121.332 2.895 19774 825 1 3 . 1 1 115 115 ALA HA H 115 4.208 4.208 4.036 0.172 19774 826 1 3 . 1 1 115 115 ALA C C 115 179.824 179.824 180.483 -0.659 19774 827 1 3 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.186 -0.629 19774 828 1 3 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.092 0.189 19774 829 1 3 . 1 1 115 115 ALA H H 115 8.087 8.087 7.638 0.449 19774 830 1 3 . 1 1 116 116 GLU N N 116 118.344 118.344 118.732 -0.388 19774 831 1 3 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.049 0.159 19774 832 1 3 . 1 1 116 116 GLU C C 116 178.142 178.142 178.896 -0.754 19774 833 1 3 . 1 1 116 116 GLU CA C 116 57.988 57.988 58.608 -0.620 19774 834 1 3 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.018 0.635 19774 835 1 3 . 1 1 116 116 GLU H H 116 8.322 8.322 8.279 0.043 19774 836 1 3 . 1 1 117 117 SER N N 117 115.778 115.778 114.892 0.886 19774 837 1 3 . 1 1 117 117 SER HA H 117 4.380 4.380 4.230 0.150 19774 838 1 3 . 1 1 117 117 SER C C 117 175.595 175.595 175.980 -0.385 19774 839 1 3 . 1 1 117 117 SER CA C 117 59.926 59.926 61.563 -1.637 19774 840 1 3 . 1 1 117 117 SER CB C 117 63.351 63.351 62.878 0.473 19774 841 1 3 . 1 1 117 117 SER H H 117 8.050 8.050 7.766 0.284 19774 842 1 3 . 1 1 118 118 LEU N N 118 122.792 122.792 119.808 2.984 19774 843 1 3 . 1 1 118 118 LEU HA H 118 4.282 4.282 3.979 0.303 19774 844 1 3 . 1 1 118 118 LEU C C 118 177.998 177.998 177.519 0.479 19774 845 1 3 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.243 -1.102 19774 846 1 3 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.744 0.330 19774 847 1 3 . 1 1 118 118 LEU H H 118 7.984 7.984 7.507 0.477 19774 848 1 3 . 1 1 119 119 ASN N N 119 118.030 118.030 114.737 3.293 19774 849 1 3 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.685 0.018 19774 850 1 3 . 1 1 119 119 ASN C C 119 175.640 175.640 176.677 -1.037 19774 851 1 3 . 1 1 119 119 ASN CA C 119 53.761 53.761 54.397 -0.635 19774 852 1 3 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.496 0.327 19774 853 1 3 . 1 1 119 119 ASN H H 119 8.199 8.199 7.704 0.495 19774 854 1 3 . 1 1 120 120 SER N N 120 115.677 115.677 114.344 1.333 19774 855 1 3 . 1 1 120 120 SER HA H 120 4.473 4.473 4.528 -0.055 19774 856 1 3 . 1 1 120 120 SER CA C 120 58.803 58.803 58.349 0.454 19774 857 1 3 . 1 1 120 120 SER CB C 120 63.708 63.708 63.505 0.203 19774 858 1 3 . 1 1 120 120 SER H H 120 8.200 8.200 8.013 0.187 19774 859 1 3 . 1 1 123 123 PRO C C 123 177.186 177.186 176.589 0.597 19774 860 1 3 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.762 0.596 19774 861 1 3 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.312 -0.149 19774 862 1 3 . 1 1 124 124 SER N N 124 116.200 116.200 118.356 -2.156 19774 863 1 3 . 1 1 124 124 SER HA H 124 4.990 4.990 4.244 0.746 19774 864 1 3 . 1 1 124 124 SER C C 124 174.548 174.548 174.741 -0.193 19774 865 1 3 . 1 1 124 124 SER CA C 124 58.600 58.600 58.545 0.055 19774 866 1 3 . 1 1 124 124 SER CB C 124 63.727 63.727 64.053 -0.326 19774 867 1 3 . 1 1 124 124 SER H H 124 8.596 8.596 8.199 0.397 19774 868 1 3 . 1 1 125 125 ASP N N 125 122.649 122.649 125.131 -2.482 19774 869 1 3 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.514 0.094 19774 870 1 3 . 1 1 125 125 ASP C C 125 176.378 176.378 177.627 -1.249 19774 871 1 3 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.861 -0.613 19774 872 1 3 . 1 1 125 125 ASP CB C 125 41.080 41.080 42.173 -1.093 19774 873 1 3 . 1 1 125 125 ASP H H 125 8.427 8.427 8.587 -0.160 19774 874 1 3 . 1 1 126 126 ALA N N 126 124.975 124.975 127.909 -2.934 19774 875 1 3 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.064 0.239 19774 876 1 3 . 1 1 126 126 ALA C C 126 178.138 178.138 177.604 0.534 19774 877 1 3 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.558 -1.491 19774 878 1 3 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.900 0.019 19774 879 1 3 . 1 1 126 126 ALA H H 126 8.401 8.401 8.716 -0.315 19774 880 1 3 . 1 1 127 127 SER N N 127 114.892 114.892 113.751 1.141 19774 881 1 3 . 1 1 127 127 SER HA H 127 4.380 4.380 4.359 0.021 19774 882 1 3 . 1 1 127 127 SER C C 127 174.582 174.582 175.030 -0.448 19774 883 1 3 . 1 1 127 127 SER CA C 127 58.826 58.826 58.768 0.058 19774 884 1 3 . 1 1 127 127 SER CB C 127 63.662 63.662 62.850 0.812 19774 885 1 3 . 1 1 127 127 SER H H 127 8.403 8.403 8.089 0.314 19774 886 1 3 . 1 1 128 128 ALA N N 128 125.815 125.815 120.679 5.136 19774 887 1 3 . 1 1 128 128 ALA HA H 128 4.389 4.389 3.932 0.457 19774 888 1 3 . 1 1 128 128 ALA C C 128 177.957 177.957 176.815 1.142 19774 889 1 3 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.826 -1.114 19774 890 1 3 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.268 1.976 19774 891 1 3 . 1 1 128 128 ALA H H 128 8.266 8.266 8.012 0.254 19774 892 1 3 . 1 1 129 129 THR N N 129 113.766 113.766 111.020 2.746 19774 893 1 3 . 1 1 129 129 THR HA H 129 4.310 4.310 4.275 0.035 19774 894 1 3 . 1 1 129 129 THR C C 129 174.414 174.414 174.373 0.041 19774 895 1 3 . 1 1 129 129 THR CA C 129 62.010 62.010 61.369 0.641 19774 896 1 3 . 1 1 129 129 THR CB C 129 69.748 69.748 69.772 -0.024 19774 897 1 3 . 1 1 129 129 THR H H 129 8.200 8.200 7.755 0.445 19774 898 1 3 . 1 1 130 130 ARG N N 130 124.611 124.611 122.076 2.535 19774 899 1 3 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.460 -0.010 19774 900 1 3 . 1 1 130 130 ARG C C 130 175.443 175.443 176.342 -0.899 19774 901 1 3 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.672 0.307 19774 902 1 3 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.533 0.370 19774 903 1 3 . 1 1 130 130 ARG H H 130 8.457 8.457 8.223 0.234 19774 904 1 4 . 1 1 -2 -2 LEU N N -2 122.796 122.796 118.541 4.255 19774 905 1 4 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.113 0.232 19774 906 1 4 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.990 0.164 19774 907 1 4 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.504 0.088 19774 908 1 4 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.931 0.297 19774 909 1 4 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.647 1.057 19774 910 1 4 . 1 1 -1 -1 GLY N N -1 110.002 110.002 106.301 3.701 19774 911 1 4 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.919 -0.451 19774 912 1 4 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.084 0.239 19774 913 1 4 . 1 1 -1 -1 GLY H H -1 8.548 8.548 7.703 0.845 19774 914 1 4 . 1 1 75 75 LYS N N 75 123.250 123.250 124.469 -1.219 19774 915 1 4 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.256 0.047 19774 916 1 4 . 1 1 75 75 LYS C C 75 176.826 176.826 175.964 0.862 19774 917 1 4 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.862 -0.481 19774 918 1 4 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.917 -0.043 19774 919 1 4 . 1 1 75 75 LYS H H 75 8.447 8.447 8.339 0.108 19774 920 1 4 . 1 1 76 76 ILE N N 76 123.138 123.138 122.276 0.862 19774 921 1 4 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.097 -0.005 19774 922 1 4 . 1 1 76 76 ILE C C 76 176.311 176.311 176.280 0.031 19774 923 1 4 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.842 0.746 19774 924 1 4 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.855 0.714 19774 925 1 4 . 1 1 76 76 ILE H H 76 8.315 8.315 8.219 0.096 19774 926 1 4 . 1 1 77 77 ALA N N 77 127.035 127.035 130.292 -3.257 19774 927 1 4 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.351 -0.093 19774 928 1 4 . 1 1 77 77 ALA C C 77 177.642 177.642 177.065 0.577 19774 929 1 4 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.403 1.432 19774 930 1 4 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.542 -0.442 19774 931 1 4 . 1 1 77 77 ALA H H 77 8.446 8.446 8.165 0.281 19774 932 1 4 . 1 1 78 78 GLN N N 78 119.150 119.150 118.967 0.183 19774 933 1 4 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.182 0.131 19774 934 1 4 . 1 1 78 78 GLN C C 78 176.025 176.025 175.742 0.283 19774 935 1 4 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.182 -0.461 19774 936 1 4 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.270 0.261 19774 937 1 4 . 1 1 78 78 GLN H H 78 8.323 8.323 8.317 0.006 19774 938 1 4 . 1 1 79 79 MET N N 79 122.456 122.456 122.899 -0.443 19774 939 1 4 . 1 1 79 79 MET HA H 79 4.619 4.619 4.622 -0.003 19774 940 1 4 . 1 1 79 79 MET C C 79 177.080 177.080 177.027 0.053 19774 941 1 4 . 1 1 79 79 MET CA C 79 56.021 56.021 55.360 0.661 19774 942 1 4 . 1 1 79 79 MET CB C 79 34.723 34.723 33.245 1.478 19774 943 1 4 . 1 1 79 79 MET H H 79 8.410 8.410 8.207 0.203 19774 944 1 4 . 1 1 80 80 THR N N 80 115.145 115.145 116.225 -1.080 19774 945 1 4 . 1 1 80 80 THR HA H 80 4.390 4.390 4.512 -0.122 19774 946 1 4 . 1 1 80 80 THR C C 80 175.463 175.463 175.183 0.280 19774 947 1 4 . 1 1 80 80 THR CA C 80 61.546 61.546 60.801 0.745 19774 948 1 4 . 1 1 80 80 THR CB C 80 70.845 70.845 70.635 0.210 19774 949 1 4 . 1 1 80 80 THR H H 80 8.915 8.915 8.699 0.216 19774 950 1 4 . 1 1 81 81 GLU N N 81 122.254 122.254 122.020 0.234 19774 951 1 4 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.985 0.022 19774 952 1 4 . 1 1 81 81 GLU C C 81 178.734 178.734 178.649 0.085 19774 953 1 4 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.334 -0.536 19774 954 1 4 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.579 -0.185 19774 955 1 4 . 1 1 81 81 GLU H H 81 9.076 9.076 8.993 0.083 19774 956 1 4 . 1 1 82 82 GLU N N 82 119.436 119.436 119.159 0.277 19774 957 1 4 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.140 -0.017 19774 958 1 4 . 1 1 82 82 GLU C C 82 179.545 179.545 178.945 0.600 19774 959 1 4 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.237 0.588 19774 960 1 4 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.205 0.063 19774 961 1 4 . 1 1 82 82 GLU H H 82 8.839 8.839 8.683 0.156 19774 962 1 4 . 1 1 83 83 GLU N N 83 121.597 121.597 119.399 2.198 19774 963 1 4 . 1 1 83 83 GLU HA H 83 4.102 4.102 3.980 0.122 19774 964 1 4 . 1 1 83 83 GLU C C 83 179.440 179.440 179.075 0.365 19774 965 1 4 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.165 -0.262 19774 966 1 4 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.578 0.449 19774 967 1 4 . 1 1 83 83 GLU H H 83 8.029 8.029 7.710 0.319 19774 968 1 4 . 1 1 84 84 GLN N N 84 120.565 120.565 119.655 0.910 19774 969 1 4 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.114 -0.085 19774 970 1 4 . 1 1 84 84 GLN C C 84 178.689 178.689 177.960 0.729 19774 971 1 4 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.487 0.532 19774 972 1 4 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.376 0.237 19774 973 1 4 . 1 1 84 84 GLN H H 84 8.575 8.575 8.004 0.571 19774 974 1 4 . 1 1 85 85 PHE N N 85 121.525 121.525 120.401 1.124 19774 975 1 4 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.159 0.070 19774 976 1 4 . 1 1 85 85 PHE C C 85 177.713 177.713 176.800 0.913 19774 977 1 4 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.710 -0.387 19774 978 1 4 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.876 -0.156 19774 979 1 4 . 1 1 85 85 PHE H H 85 8.483 8.483 8.366 0.117 19774 980 1 4 . 1 1 86 86 ALA N N 86 121.849 121.849 122.547 -0.698 19774 981 1 4 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.930 0.214 19774 982 1 4 . 1 1 86 86 ALA C C 86 180.283 180.283 179.416 0.867 19774 983 1 4 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.139 -0.444 19774 984 1 4 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.083 0.129 19774 985 1 4 . 1 1 86 86 ALA H H 86 8.072 8.072 7.999 0.073 19774 986 1 4 . 1 1 87 87 LEU N N 87 120.459 120.459 119.354 1.105 19774 987 1 4 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.931 0.287 19774 988 1 4 . 1 1 87 87 LEU C C 87 178.387 178.387 178.863 -0.476 19774 989 1 4 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.783 -0.526 19774 990 1 4 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.367 0.507 19774 991 1 4 . 1 1 87 87 LEU H H 87 8.010 8.010 7.603 0.407 19774 992 1 4 . 1 1 88 88 ALA N N 88 122.123 122.123 121.859 0.264 19774 993 1 4 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.925 0.209 19774 994 1 4 . 1 1 88 88 ALA C C 88 180.241 180.241 179.703 0.538 19774 995 1 4 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.971 -0.479 19774 996 1 4 . 1 1 88 88 ALA CB C 88 17.859 17.859 17.893 -0.034 19774 997 1 4 . 1 1 88 88 ALA H H 88 7.981 7.981 7.474 0.507 19774 998 1 4 . 1 1 89 89 LEU N N 89 119.923 119.923 118.671 1.252 19774 999 1 4 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.798 0.336 19774 1000 1 4 . 1 1 89 89 LEU C C 89 178.981 178.981 179.473 -0.492 19774 1001 1 4 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.236 -0.232 19774 1002 1 4 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.388 0.557 19774 1003 1 4 . 1 1 89 89 LEU H H 89 7.897 7.897 7.500 0.397 19774 1004 1 4 . 1 1 90 90 LYS N N 90 120.679 120.679 119.298 1.381 19774 1005 1 4 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.986 0.190 19774 1006 1 4 . 1 1 90 90 LYS C C 90 178.799 178.799 179.304 -0.505 19774 1007 1 4 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.308 -1.109 19774 1008 1 4 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.308 0.135 19774 1009 1 4 . 1 1 90 90 LYS H H 90 7.913 7.913 7.532 0.382 19774 1010 1 4 . 1 1 91 91 MET N N 91 118.958 118.958 118.185 0.773 19774 1011 1 4 . 1 1 91 91 MET HA H 91 4.366 4.366 4.212 0.154 19774 1012 1 4 . 1 1 91 91 MET C C 91 177.925 177.925 178.542 -0.617 19774 1013 1 4 . 1 1 91 91 MET CA C 91 57.121 57.121 57.376 -0.255 19774 1014 1 4 . 1 1 91 91 MET CB C 91 32.242 32.242 31.758 0.484 19774 1015 1 4 . 1 1 91 91 MET H H 91 8.392 8.392 7.844 0.548 19774 1016 1 4 . 1 1 92 92 SER N N 92 116.458 116.458 114.928 1.530 19774 1017 1 4 . 1 1 92 92 SER HA H 92 4.376 4.376 4.140 0.236 19774 1018 1 4 . 1 1 92 92 SER C C 92 175.910 175.910 176.867 -0.957 19774 1019 1 4 . 1 1 92 92 SER CA C 92 60.139 60.139 61.974 -1.835 19774 1020 1 4 . 1 1 92 92 SER CB C 92 63.292 63.292 62.404 0.888 19774 1021 1 4 . 1 1 92 92 SER H H 92 8.268 8.268 8.125 0.143 19774 1022 1 4 . 1 1 93 93 GLU N N 93 122.379 122.379 123.253 -0.874 19774 1023 1 4 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.240 -0.032 19774 1024 1 4 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.361 -1.368 19774 1025 1 4 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.324 0.462 19774 1026 1 4 . 1 1 93 93 GLU H H 93 8.255 8.255 8.017 0.238 19774 1027 1 4 . 1 1 94 94 GLN C C 94 177.043 177.043 178.953 -1.910 19774 1028 1 4 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.626 -1.517 19774 1029 1 4 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.726 0.245 19774 1030 1 4 . 1 1 95 95 GLU N N 95 121.162 121.162 118.675 2.487 19774 1031 1 4 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.210 -0.044 19774 1032 1 4 . 1 1 95 95 GLU C C 95 177.150 177.150 178.596 -1.446 19774 1033 1 4 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.386 -0.807 19774 1034 1 4 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.501 0.481 19774 1035 1 4 . 1 1 95 95 GLU H H 95 8.294 8.294 7.764 0.530 19774 1036 1 4 . 1 1 96 96 ALA N N 96 123.599 123.599 122.739 0.860 19774 1037 1 4 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.112 0.201 19774 1038 1 4 . 1 1 96 96 ALA C C 96 178.276 178.276 179.996 -1.720 19774 1039 1 4 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.622 -1.440 19774 1040 1 4 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.200 0.485 19774 1041 1 4 . 1 1 96 96 ALA H H 96 8.209 8.209 8.520 -0.311 19774 1042 1 4 . 1 1 97 97 ARG N N 97 119.759 119.759 116.589 3.170 19774 1043 1 4 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.086 0.206 19774 1044 1 4 . 1 1 97 97 ARG C C 97 176.904 176.904 177.625 -0.721 19774 1045 1 4 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.091 -1.389 19774 1046 1 4 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.806 1.064 19774 1047 1 4 . 1 1 97 97 ARG H H 97 8.123 8.123 7.517 0.606 19774 1048 1 4 . 1 1 98 98 GLU N N 98 121.995 121.995 116.435 5.560 19774 1049 1 4 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.276 -0.016 19774 1050 1 4 . 1 1 98 98 GLU C C 98 176.939 176.939 176.689 0.250 19774 1051 1 4 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.428 0.522 19774 1052 1 4 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.397 -0.346 19774 1053 1 4 . 1 1 98 98 GLU H H 98 8.382 8.382 7.665 0.717 19774 1054 1 4 . 1 1 99 99 VAL N N 99 121.412 121.412 120.039 1.373 19774 1055 1 4 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.980 0.091 19774 1056 1 4 . 1 1 99 99 VAL C C 99 176.276 176.276 175.532 0.744 19774 1057 1 4 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.035 0.901 19774 1058 1 4 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.580 0.170 19774 1059 1 4 . 1 1 99 99 VAL H H 99 8.269 8.269 7.410 0.859 19774 1060 1 4 . 1 1 100 100 ASN N N 100 122.455 122.455 121.633 0.822 19774 1061 1 4 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.536 0.283 19774 1062 1 4 . 1 1 100 100 ASN C C 100 175.671 175.671 176.612 -0.941 19774 1063 1 4 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.185 -0.760 19774 1064 1 4 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.426 -0.386 19774 1065 1 4 . 1 1 100 100 ASN H H 100 8.642 8.642 8.543 0.099 19774 1066 1 4 . 1 1 101 101 SER N N 101 117.265 117.265 118.215 -0.950 19774 1067 1 4 . 1 1 101 101 SER HA H 101 4.408 4.408 4.106 0.302 19774 1068 1 4 . 1 1 101 101 SER C C 101 175.147 175.147 175.791 -0.644 19774 1069 1 4 . 1 1 101 101 SER CA C 101 59.187 59.187 61.320 -2.133 19774 1070 1 4 . 1 1 101 101 SER CB C 101 63.672 63.672 63.229 0.443 19774 1071 1 4 . 1 1 101 101 SER H H 101 8.548 8.548 8.823 -0.275 19774 1072 1 4 . 1 1 102 102 GLN N N 102 122.686 122.686 119.942 2.744 19774 1073 1 4 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.059 0.233 19774 1074 1 4 . 1 1 102 102 GLN C C 102 177.127 177.127 178.320 -1.193 19774 1075 1 4 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.558 -1.173 19774 1076 1 4 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.335 0.465 19774 1077 1 4 . 1 1 102 102 GLN H H 102 8.596 8.596 7.794 0.802 19774 1078 1 4 . 1 1 103 103 GLU N N 103 121.071 121.071 120.461 0.610 19774 1079 1 4 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.108 0.068 19774 1080 1 4 . 1 1 103 103 GLU C C 103 178.080 178.080 178.656 -0.576 19774 1081 1 4 . 1 1 103 103 GLU CA C 103 58.301 58.301 58.817 -0.516 19774 1082 1 4 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.215 0.486 19774 1083 1 4 . 1 1 103 103 GLU H H 103 8.502 8.502 7.808 0.694 19774 1084 1 4 . 1 1 104 104 GLU N N 104 121.073 121.073 120.762 0.311 19774 1085 1 4 . 1 1 104 104 GLU C C 104 178.186 178.186 178.949 -0.763 19774 1086 1 4 . 1 1 104 104 GLU H H 104 8.389 8.389 7.589 0.800 19774 1087 1 4 . 1 1 105 105 GLU N N 105 121.561 121.561 118.796 2.765 19774 1088 1 4 . 1 1 105 105 GLU C C 105 178.380 178.380 179.167 -0.787 19774 1089 1 4 . 1 1 105 105 GLU H H 105 8.454 8.454 8.328 0.126 19774 1090 1 4 . 1 1 106 106 GLU N N 106 120.852 120.852 119.958 0.894 19774 1091 1 4 . 1 1 106 106 GLU C C 106 178.758 178.758 178.619 0.139 19774 1092 1 4 . 1 1 106 106 GLU H H 106 8.473 8.473 7.788 0.685 19774 1093 1 4 . 1 1 107 107 GLU N N 107 120.445 120.445 120.057 0.388 19774 1094 1 4 . 1 1 107 107 GLU C C 107 178.661 178.661 178.924 -0.263 19774 1095 1 4 . 1 1 107 107 GLU H H 107 8.396 8.396 8.172 0.224 19774 1096 1 4 . 1 1 108 108 GLU N N 108 121.089 121.089 119.811 1.278 19774 1097 1 4 . 1 1 108 108 GLU C C 108 178.454 178.454 179.184 -0.730 19774 1098 1 4 . 1 1 108 108 GLU H H 108 8.139 8.139 8.018 0.121 19774 1099 1 4 . 1 1 109 109 LEU N N 109 120.552 120.552 119.672 0.880 19774 1100 1 4 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.032 0.081 19774 1101 1 4 . 1 1 109 109 LEU C C 109 180.104 180.104 179.286 0.818 19774 1102 1 4 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.675 0.235 19774 1103 1 4 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.832 -0.141 19774 1104 1 4 . 1 1 109 109 LEU H H 109 8.097 8.097 7.711 0.386 19774 1105 1 4 . 1 1 110 110 LEU N N 110 121.275 121.275 119.743 1.532 19774 1106 1 4 . 1 1 110 110 LEU HA H 110 4.239 4.239 4.074 0.165 19774 1107 1 4 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.538 -0.043 19774 1108 1 4 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.667 -0.011 19774 1109 1 4 . 1 1 110 110 LEU H H 110 7.964 7.964 7.813 0.151 19774 1110 1 4 . 1 1 112 112 LYS N N 112 120.602 120.602 118.385 2.217 19774 1111 1 4 . 1 1 112 112 LYS C C 112 177.904 177.904 178.645 -0.741 19774 1112 1 4 . 1 1 112 112 LYS H H 112 8.279 8.279 7.915 0.364 19774 1113 1 4 . 1 1 113 113 ALA N N 113 122.972 122.972 123.786 -0.814 19774 1114 1 4 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.308 -0.026 19774 1115 1 4 . 1 1 113 113 ALA C C 113 180.557 180.557 179.828 0.729 19774 1116 1 4 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.783 -0.307 19774 1117 1 4 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.475 -0.209 19774 1118 1 4 . 1 1 113 113 ALA H H 113 7.992 7.992 7.536 0.456 19774 1119 1 4 . 1 1 114 114 ILE N N 114 120.299 120.299 118.344 1.955 19774 1120 1 4 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.775 0.074 19774 1121 1 4 . 1 1 114 114 ILE C C 114 178.314 178.314 177.866 0.448 19774 1122 1 4 . 1 1 114 114 ILE CA C 114 63.783 63.783 62.392 1.391 19774 1123 1 4 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.610 1.721 19774 1124 1 4 . 1 1 114 114 ILE H H 114 8.231 8.231 7.766 0.465 19774 1125 1 4 . 1 1 115 115 ALA N N 115 124.227 124.227 122.653 1.574 19774 1126 1 4 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.970 0.238 19774 1127 1 4 . 1 1 115 115 ALA C C 115 179.824 179.824 179.813 0.011 19774 1128 1 4 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.493 -0.936 19774 1129 1 4 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.067 0.214 19774 1130 1 4 . 1 1 115 115 ALA H H 115 8.087 8.087 7.817 0.270 19774 1131 1 4 . 1 1 116 116 GLU N N 116 118.344 118.344 118.116 0.228 19774 1132 1 4 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.912 0.296 19774 1133 1 4 . 1 1 116 116 GLU C C 116 178.142 178.142 179.074 -0.932 19774 1134 1 4 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.371 -1.383 19774 1135 1 4 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.445 0.208 19774 1136 1 4 . 1 1 116 116 GLU H H 116 8.322 8.322 8.398 -0.076 19774 1137 1 4 . 1 1 117 117 SER N N 117 115.778 115.778 115.673 0.105 19774 1138 1 4 . 1 1 117 117 SER HA H 117 4.380 4.380 4.215 0.165 19774 1139 1 4 . 1 1 117 117 SER C C 117 175.595 175.595 176.816 -1.221 19774 1140 1 4 . 1 1 117 117 SER CA C 117 59.926 59.926 61.624 -1.698 19774 1141 1 4 . 1 1 117 117 SER CB C 117 63.351 63.351 63.103 0.248 19774 1142 1 4 . 1 1 117 117 SER H H 117 8.050 8.050 7.627 0.423 19774 1143 1 4 . 1 1 118 118 LEU N N 118 122.792 122.792 121.698 1.094 19774 1144 1 4 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.017 0.265 19774 1145 1 4 . 1 1 118 118 LEU C C 118 177.998 177.998 178.703 -0.705 19774 1146 1 4 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.471 -1.330 19774 1147 1 4 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.590 0.484 19774 1148 1 4 . 1 1 118 118 LEU H H 118 7.984 7.984 7.973 0.011 19774 1149 1 4 . 1 1 119 119 ASN N N 119 118.030 118.030 117.443 0.587 19774 1150 1 4 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.540 0.163 19774 1151 1 4 . 1 1 119 119 ASN C C 119 175.640 175.640 177.070 -1.430 19774 1152 1 4 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.798 -2.037 19774 1153 1 4 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.657 0.166 19774 1154 1 4 . 1 1 119 119 ASN H H 119 8.199 8.199 8.013 0.186 19774 1155 1 4 . 1 1 120 120 SER N N 120 115.677 115.677 114.567 1.110 19774 1156 1 4 . 1 1 120 120 SER HA H 120 4.473 4.473 4.497 -0.024 19774 1157 1 4 . 1 1 120 120 SER CA C 120 58.803 58.803 59.607 -0.804 19774 1158 1 4 . 1 1 120 120 SER CB C 120 63.708 63.708 63.221 0.487 19774 1159 1 4 . 1 1 120 120 SER H H 120 8.200 8.200 7.892 0.308 19774 1160 1 4 . 1 1 123 123 PRO C C 123 177.186 177.186 176.338 0.848 19774 1161 1 4 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.617 0.741 19774 1162 1 4 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.407 -0.244 19774 1163 1 4 . 1 1 124 124 SER N N 124 116.200 116.200 116.975 -0.775 19774 1164 1 4 . 1 1 124 124 SER HA H 124 4.990 4.990 4.368 0.622 19774 1165 1 4 . 1 1 124 124 SER C C 124 174.548 174.548 174.148 0.400 19774 1166 1 4 . 1 1 124 124 SER CA C 124 58.600 58.600 57.683 0.917 19774 1167 1 4 . 1 1 124 124 SER CB C 124 63.727 63.727 63.962 -0.235 19774 1168 1 4 . 1 1 124 124 SER H H 124 8.596 8.596 8.060 0.536 19774 1169 1 4 . 1 1 125 125 ASP N N 125 122.649 122.649 120.787 1.862 19774 1170 1 4 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.510 0.098 19774 1171 1 4 . 1 1 125 125 ASP C C 125 176.378 176.378 177.446 -1.068 19774 1172 1 4 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.294 -0.047 19774 1173 1 4 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.230 -0.150 19774 1174 1 4 . 1 1 125 125 ASP H H 125 8.427 8.427 8.393 0.034 19774 1175 1 4 . 1 1 126 126 ALA N N 126 124.975 124.975 126.105 -1.130 19774 1176 1 4 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.002 0.301 19774 1177 1 4 . 1 1 126 126 ALA C C 126 178.138 178.138 178.186 -0.048 19774 1178 1 4 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.223 -1.156 19774 1179 1 4 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.966 -0.047 19774 1180 1 4 . 1 1 126 126 ALA H H 126 8.401 8.401 8.568 -0.167 19774 1181 1 4 . 1 1 127 127 SER N N 127 114.892 114.892 114.343 0.549 19774 1182 1 4 . 1 1 127 127 SER HA H 127 4.380 4.380 4.356 0.024 19774 1183 1 4 . 1 1 127 127 SER C C 127 174.582 174.582 174.798 -0.216 19774 1184 1 4 . 1 1 127 127 SER CA C 127 58.826 58.826 58.966 -0.140 19774 1185 1 4 . 1 1 127 127 SER CB C 127 63.662 63.662 63.314 0.348 19774 1186 1 4 . 1 1 127 127 SER H H 127 8.403 8.403 8.142 0.261 19774 1187 1 4 . 1 1 128 128 ALA N N 128 125.815 125.815 119.810 6.005 19774 1188 1 4 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.191 0.198 19774 1189 1 4 . 1 1 128 128 ALA C C 128 177.957 177.957 176.557 1.400 19774 1190 1 4 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.046 -0.334 19774 1191 1 4 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.101 2.143 19774 1192 1 4 . 1 1 128 128 ALA H H 128 8.266 8.266 7.418 0.848 19774 1193 1 4 . 1 1 129 129 THR N N 129 113.766 113.766 110.086 3.680 19774 1194 1 4 . 1 1 129 129 THR HA H 129 4.310 4.310 4.331 -0.021 19774 1195 1 4 . 1 1 129 129 THR C C 129 174.414 174.414 174.274 0.140 19774 1196 1 4 . 1 1 129 129 THR CA C 129 62.010 62.010 60.838 1.172 19774 1197 1 4 . 1 1 129 129 THR CB C 129 69.748 69.748 69.552 0.196 19774 1198 1 4 . 1 1 129 129 THR H H 129 8.200 8.200 7.695 0.505 19774 1199 1 4 . 1 1 130 130 ARG N N 130 124.611 124.611 122.630 1.981 19774 1200 1 4 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.368 0.082 19774 1201 1 4 . 1 1 130 130 ARG C C 130 175.443 175.443 176.439 -0.996 19774 1202 1 4 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.347 -0.368 19774 1203 1 4 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.713 0.190 19774 1204 1 4 . 1 1 130 130 ARG H H 130 8.457 8.457 8.390 0.067 19774 1205 1 5 . 1 1 -2 -2 LEU N N -2 122.796 122.796 121.542 1.254 19774 1206 1 5 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.612 -0.267 19774 1207 1 5 . 1 1 -2 -2 LEU C C -2 178.154 178.154 176.008 2.146 19774 1208 1 5 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.671 -0.079 19774 1209 1 5 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 43.178 -0.951 19774 1210 1 5 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.193 0.511 19774 1211 1 5 . 1 1 -1 -1 GLY N N -1 110.002 110.002 112.256 -2.254 19774 1212 1 5 . 1 1 -1 -1 GLY C C -1 174.468 174.468 173.789 0.679 19774 1213 1 5 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.276 1.047 19774 1214 1 5 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.287 0.261 19774 1215 1 5 . 1 1 75 75 LYS N N 75 123.250 123.250 121.229 2.021 19774 1216 1 5 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.412 -0.109 19774 1217 1 5 . 1 1 75 75 LYS C C 75 176.826 176.826 176.622 0.204 19774 1218 1 5 . 1 1 75 75 LYS CA C 75 56.381 56.381 55.974 0.407 19774 1219 1 5 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.029 -0.155 19774 1220 1 5 . 1 1 75 75 LYS H H 75 8.447 8.447 8.293 0.154 19774 1221 1 5 . 1 1 76 76 ILE N N 76 123.138 123.138 122.310 0.828 19774 1222 1 5 . 1 1 76 76 ILE HA H 76 4.092 4.092 3.961 0.131 19774 1223 1 5 . 1 1 76 76 ILE C C 76 176.311 176.311 176.494 -0.183 19774 1224 1 5 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.254 0.334 19774 1225 1 5 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.054 0.515 19774 1226 1 5 . 1 1 76 76 ILE H H 76 8.315 8.315 8.118 0.197 19774 1227 1 5 . 1 1 77 77 ALA N N 77 127.035 127.035 130.572 -3.537 19774 1228 1 5 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.326 -0.068 19774 1229 1 5 . 1 1 77 77 ALA C C 77 177.642 177.642 176.990 0.652 19774 1230 1 5 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.478 1.357 19774 1231 1 5 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.572 -0.472 19774 1232 1 5 . 1 1 77 77 ALA H H 77 8.446 8.446 8.100 0.346 19774 1233 1 5 . 1 1 78 78 GLN N N 78 119.150 119.150 118.677 0.473 19774 1234 1 5 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.147 0.166 19774 1235 1 5 . 1 1 78 78 GLN C C 78 176.025 176.025 175.501 0.524 19774 1236 1 5 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.063 -0.342 19774 1237 1 5 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.206 0.325 19774 1238 1 5 . 1 1 78 78 GLN H H 78 8.323 8.323 8.306 0.017 19774 1239 1 5 . 1 1 79 79 MET N N 79 122.456 122.456 121.971 0.485 19774 1240 1 5 . 1 1 79 79 MET HA H 79 4.619 4.619 4.692 -0.073 19774 1241 1 5 . 1 1 79 79 MET C C 79 177.080 177.080 177.369 -0.289 19774 1242 1 5 . 1 1 79 79 MET CA C 79 56.021 56.021 55.091 0.930 19774 1243 1 5 . 1 1 79 79 MET CB C 79 34.723 34.723 32.890 1.833 19774 1244 1 5 . 1 1 79 79 MET H H 79 8.410 8.410 8.198 0.212 19774 1245 1 5 . 1 1 80 80 THR N N 80 115.145 115.145 116.730 -1.585 19774 1246 1 5 . 1 1 80 80 THR HA H 80 4.390 4.390 4.582 -0.192 19774 1247 1 5 . 1 1 80 80 THR C C 80 175.463 175.463 175.836 -0.373 19774 1248 1 5 . 1 1 80 80 THR CA C 80 61.546 61.546 60.855 0.691 19774 1249 1 5 . 1 1 80 80 THR CB C 80 70.845 70.845 70.700 0.145 19774 1250 1 5 . 1 1 80 80 THR H H 80 8.915 8.915 9.432 -0.517 19774 1251 1 5 . 1 1 81 81 GLU N N 81 122.254 122.254 121.817 0.437 19774 1252 1 5 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.941 0.066 19774 1253 1 5 . 1 1 81 81 GLU C C 81 178.734 178.734 178.621 0.113 19774 1254 1 5 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.692 0.106 19774 1255 1 5 . 1 1 81 81 GLU CB C 81 29.394 29.394 28.883 0.511 19774 1256 1 5 . 1 1 81 81 GLU H H 81 9.076 9.076 8.920 0.156 19774 1257 1 5 . 1 1 82 82 GLU N N 82 119.436 119.436 118.779 0.657 19774 1258 1 5 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.145 -0.022 19774 1259 1 5 . 1 1 82 82 GLU C C 82 179.545 179.545 179.005 0.540 19774 1260 1 5 . 1 1 82 82 GLU CA C 82 59.825 59.825 58.960 0.865 19774 1261 1 5 . 1 1 82 82 GLU CB C 82 29.268 29.268 28.881 0.387 19774 1262 1 5 . 1 1 82 82 GLU H H 82 8.839 8.839 8.840 -0.001 19774 1263 1 5 . 1 1 83 83 GLU N N 83 121.597 121.597 120.465 1.132 19774 1264 1 5 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.046 0.056 19774 1265 1 5 . 1 1 83 83 GLU C C 83 179.440 179.440 179.333 0.107 19774 1266 1 5 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.157 -0.254 19774 1267 1 5 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.446 0.581 19774 1268 1 5 . 1 1 83 83 GLU H H 83 8.029 8.029 7.575 0.454 19774 1269 1 5 . 1 1 84 84 GLN N N 84 120.565 120.565 118.567 1.998 19774 1270 1 5 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.095 -0.066 19774 1271 1 5 . 1 1 84 84 GLN C C 84 178.689 178.689 178.501 0.188 19774 1272 1 5 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.491 0.528 19774 1273 1 5 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.404 0.209 19774 1274 1 5 . 1 1 84 84 GLN H H 84 8.575 8.575 7.878 0.697 19774 1275 1 5 . 1 1 85 85 PHE N N 85 121.525 121.525 121.019 0.506 19774 1276 1 5 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.094 0.135 19774 1277 1 5 . 1 1 85 85 PHE C C 85 177.713 177.713 176.722 0.991 19774 1278 1 5 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.089 -0.766 19774 1279 1 5 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.833 -0.113 19774 1280 1 5 . 1 1 85 85 PHE H H 85 8.483 8.483 8.067 0.416 19774 1281 1 5 . 1 1 86 86 ALA N N 86 121.849 121.849 122.076 -0.227 19774 1282 1 5 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.857 0.287 19774 1283 1 5 . 1 1 86 86 ALA C C 86 180.283 180.283 179.193 1.090 19774 1284 1 5 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.935 -0.240 19774 1285 1 5 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.041 0.171 19774 1286 1 5 . 1 1 86 86 ALA H H 86 8.072 8.072 8.162 -0.090 19774 1287 1 5 . 1 1 87 87 LEU N N 87 120.459 120.459 119.858 0.601 19774 1288 1 5 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.899 0.319 19774 1289 1 5 . 1 1 87 87 LEU C C 87 178.387 178.387 178.375 0.012 19774 1290 1 5 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.807 -0.550 19774 1291 1 5 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.838 0.037 19774 1292 1 5 . 1 1 87 87 LEU H H 87 8.010 8.010 8.053 -0.043 19774 1293 1 5 . 1 1 88 88 ALA N N 88 122.123 122.123 121.748 0.375 19774 1294 1 5 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.912 0.222 19774 1295 1 5 . 1 1 88 88 ALA C C 88 180.241 180.241 179.564 0.677 19774 1296 1 5 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.034 -0.542 19774 1297 1 5 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.000 -0.141 19774 1298 1 5 . 1 1 88 88 ALA H H 88 7.981 7.981 7.681 0.300 19774 1299 1 5 . 1 1 89 89 LEU N N 89 119.923 119.923 118.591 1.332 19774 1300 1 5 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.781 0.353 19774 1301 1 5 . 1 1 89 89 LEU C C 89 178.981 178.981 178.986 -0.005 19774 1302 1 5 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.314 -0.310 19774 1303 1 5 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.399 0.546 19774 1304 1 5 . 1 1 89 89 LEU H H 89 7.897 7.897 7.488 0.409 19774 1305 1 5 . 1 1 90 90 LYS N N 90 120.679 120.679 120.050 0.629 19774 1306 1 5 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.191 -0.015 19774 1307 1 5 . 1 1 90 90 LYS C C 90 178.799 178.799 178.973 -0.174 19774 1308 1 5 . 1 1 90 90 LYS CA C 90 58.199 58.199 58.731 -0.532 19774 1309 1 5 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.212 0.232 19774 1310 1 5 . 1 1 90 90 LYS H H 90 7.913 7.913 7.861 0.052 19774 1311 1 5 . 1 1 91 91 MET N N 91 118.958 118.958 118.243 0.715 19774 1312 1 5 . 1 1 91 91 MET HA H 91 4.366 4.366 4.094 0.272 19774 1313 1 5 . 1 1 91 91 MET C C 91 177.925 177.925 178.180 -0.255 19774 1314 1 5 . 1 1 91 91 MET CA C 91 57.121 57.121 57.698 -0.577 19774 1315 1 5 . 1 1 91 91 MET CB C 91 32.242 32.242 31.420 0.822 19774 1316 1 5 . 1 1 91 91 MET H H 91 8.392 8.392 8.071 0.321 19774 1317 1 5 . 1 1 92 92 SER N N 92 116.458 116.458 115.952 0.506 19774 1318 1 5 . 1 1 92 92 SER HA H 92 4.376 4.376 4.370 0.006 19774 1319 1 5 . 1 1 92 92 SER C C 92 175.910 175.910 177.314 -1.404 19774 1320 1 5 . 1 1 92 92 SER CA C 92 60.139 60.139 61.974 -1.835 19774 1321 1 5 . 1 1 92 92 SER CB C 92 63.292 63.292 62.686 0.606 19774 1322 1 5 . 1 1 92 92 SER H H 92 8.268 8.268 7.794 0.474 19774 1323 1 5 . 1 1 93 93 GLU N N 93 122.379 122.379 121.638 0.741 19774 1324 1 5 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.992 0.216 19774 1325 1 5 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.476 -1.483 19774 1326 1 5 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.384 0.402 19774 1327 1 5 . 1 1 93 93 GLU H H 93 8.255 8.255 7.790 0.465 19774 1328 1 5 . 1 1 94 94 GLN C C 94 177.043 177.043 178.653 -1.610 19774 1329 1 5 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.530 -1.421 19774 1330 1 5 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.351 0.621 19774 1331 1 5 . 1 1 95 95 GLU N N 95 121.162 121.162 119.336 1.826 19774 1332 1 5 . 1 1 95 95 GLU HA H 95 4.166 4.166 3.989 0.177 19774 1333 1 5 . 1 1 95 95 GLU C C 95 177.150 177.150 177.495 -0.345 19774 1334 1 5 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.804 -1.226 19774 1335 1 5 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.315 0.667 19774 1336 1 5 . 1 1 95 95 GLU H H 95 8.294 8.294 7.838 0.456 19774 1337 1 5 . 1 1 96 96 ALA N N 96 123.599 123.599 119.602 3.997 19774 1338 1 5 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.127 0.186 19774 1339 1 5 . 1 1 96 96 ALA C C 96 178.276 178.276 180.333 -2.057 19774 1340 1 5 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.456 -1.274 19774 1341 1 5 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.791 -0.106 19774 1342 1 5 . 1 1 96 96 ALA H H 96 8.209 8.209 7.456 0.753 19774 1343 1 5 . 1 1 97 97 ARG N N 97 119.759 119.759 117.632 2.127 19774 1344 1 5 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.268 0.024 19774 1345 1 5 . 1 1 97 97 ARG C C 97 176.904 176.904 177.876 -0.972 19774 1346 1 5 . 1 1 97 97 ARG CA C 97 56.702 56.702 56.926 -0.224 19774 1347 1 5 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.926 0.944 19774 1348 1 5 . 1 1 97 97 ARG H H 97 8.123 8.123 7.719 0.404 19774 1349 1 5 . 1 1 98 98 GLU N N 98 121.995 121.995 117.743 4.252 19774 1350 1 5 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.421 -0.161 19774 1351 1 5 . 1 1 98 98 GLU C C 98 176.939 176.939 175.914 1.025 19774 1352 1 5 . 1 1 98 98 GLU CA C 98 56.950 56.950 55.407 1.543 19774 1353 1 5 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.030 1.021 19774 1354 1 5 . 1 1 98 98 GLU H H 98 8.382 8.382 7.952 0.430 19774 1355 1 5 . 1 1 99 99 VAL N N 99 121.412 121.412 120.743 0.669 19774 1356 1 5 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.878 0.193 19774 1357 1 5 . 1 1 99 99 VAL C C 99 176.276 176.276 175.915 0.361 19774 1358 1 5 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.782 0.154 19774 1359 1 5 . 1 1 99 99 VAL CB C 99 32.750 32.750 31.800 0.950 19774 1360 1 5 . 1 1 99 99 VAL H H 99 8.269 8.269 7.096 1.173 19774 1361 1 5 . 1 1 100 100 ASN N N 100 122.455 122.455 124.062 -1.607 19774 1362 1 5 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.583 0.236 19774 1363 1 5 . 1 1 100 100 ASN C C 100 175.671 175.671 177.109 -1.438 19774 1364 1 5 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.129 -0.704 19774 1365 1 5 . 1 1 100 100 ASN CB C 100 39.040 39.040 38.731 0.309 19774 1366 1 5 . 1 1 100 100 ASN H H 100 8.642 8.642 8.610 0.032 19774 1367 1 5 . 1 1 101 101 SER N N 101 117.265 117.265 119.917 -2.652 19774 1368 1 5 . 1 1 101 101 SER HA H 101 4.408 4.408 4.167 0.241 19774 1369 1 5 . 1 1 101 101 SER C C 101 175.147 175.147 176.077 -0.930 19774 1370 1 5 . 1 1 101 101 SER CA C 101 59.187 59.187 61.319 -2.132 19774 1371 1 5 . 1 1 101 101 SER CB C 101 63.672 63.672 63.323 0.349 19774 1372 1 5 . 1 1 101 101 SER H H 101 8.548 8.548 8.837 -0.289 19774 1373 1 5 . 1 1 102 102 GLN N N 102 122.686 122.686 120.441 2.245 19774 1374 1 5 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.288 0.004 19774 1375 1 5 . 1 1 102 102 GLN C C 102 177.127 177.127 178.230 -1.103 19774 1376 1 5 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.909 -1.524 19774 1377 1 5 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.372 0.428 19774 1378 1 5 . 1 1 102 102 GLN H H 102 8.596 8.596 8.603 -0.007 19774 1379 1 5 . 1 1 103 103 GLU N N 103 121.071 121.071 120.413 0.658 19774 1380 1 5 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.185 -0.009 19774 1381 1 5 . 1 1 103 103 GLU C C 103 178.080 178.080 178.526 -0.446 19774 1382 1 5 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.438 -1.137 19774 1383 1 5 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.458 0.243 19774 1384 1 5 . 1 1 103 103 GLU H H 103 8.502 8.502 7.768 0.734 19774 1385 1 5 . 1 1 104 104 GLU N N 104 121.073 121.073 119.732 1.341 19774 1386 1 5 . 1 1 104 104 GLU C C 104 178.186 178.186 178.927 -0.741 19774 1387 1 5 . 1 1 104 104 GLU H H 104 8.389 8.389 7.752 0.637 19774 1388 1 5 . 1 1 105 105 GLU N N 105 121.561 121.561 119.646 1.915 19774 1389 1 5 . 1 1 105 105 GLU C C 105 178.380 178.380 179.135 -0.755 19774 1390 1 5 . 1 1 105 105 GLU H H 105 8.454 8.454 7.712 0.742 19774 1391 1 5 . 1 1 106 106 GLU N N 106 120.852 120.852 119.482 1.370 19774 1392 1 5 . 1 1 106 106 GLU C C 106 178.758 178.758 178.718 0.040 19774 1393 1 5 . 1 1 106 106 GLU H H 106 8.473 8.473 8.543 -0.070 19774 1394 1 5 . 1 1 107 107 GLU N N 107 120.445 120.445 119.781 0.664 19774 1395 1 5 . 1 1 107 107 GLU C C 107 178.661 178.661 178.519 0.142 19774 1396 1 5 . 1 1 107 107 GLU H H 107 8.396 8.396 7.703 0.693 19774 1397 1 5 . 1 1 108 108 GLU N N 108 121.089 121.089 120.101 0.988 19774 1398 1 5 . 1 1 108 108 GLU C C 108 178.454 178.454 179.110 -0.656 19774 1399 1 5 . 1 1 108 108 GLU H H 108 8.139 8.139 7.610 0.529 19774 1400 1 5 . 1 1 109 109 LEU N N 109 120.552 120.552 120.614 -0.062 19774 1401 1 5 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.024 0.089 19774 1402 1 5 . 1 1 109 109 LEU C C 109 180.104 180.104 179.079 1.025 19774 1403 1 5 . 1 1 109 109 LEU CA C 109 57.910 57.910 58.245 -0.334 19774 1404 1 5 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.831 -0.140 19774 1405 1 5 . 1 1 109 109 LEU H H 109 8.097 8.097 7.994 0.103 19774 1406 1 5 . 1 1 110 110 LEU N N 110 121.275 121.275 119.046 2.229 19774 1407 1 5 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.856 0.383 19774 1408 1 5 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.131 -0.636 19774 1409 1 5 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.339 0.317 19774 1410 1 5 . 1 1 110 110 LEU H H 110 7.964 7.964 7.970 -0.006 19774 1411 1 5 . 1 1 112 112 LYS N N 112 120.602 120.602 119.708 0.894 19774 1412 1 5 . 1 1 112 112 LYS C C 112 177.904 177.904 178.647 -0.743 19774 1413 1 5 . 1 1 112 112 LYS H H 112 8.279 8.279 7.840 0.439 19774 1414 1 5 . 1 1 113 113 ALA N N 113 122.972 122.972 121.823 1.149 19774 1415 1 5 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.077 0.205 19774 1416 1 5 . 1 1 113 113 ALA C C 113 180.557 180.557 179.902 0.655 19774 1417 1 5 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.030 -0.554 19774 1418 1 5 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.133 0.134 19774 1419 1 5 . 1 1 113 113 ALA H H 113 7.992 7.992 7.899 0.093 19774 1420 1 5 . 1 1 114 114 ILE N N 114 120.299 120.299 119.150 1.149 19774 1421 1 5 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.691 0.158 19774 1422 1 5 . 1 1 114 114 ILE C C 114 178.314 178.314 177.968 0.346 19774 1423 1 5 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.026 -1.244 19774 1424 1 5 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.807 0.524 19774 1425 1 5 . 1 1 114 114 ILE H H 114 8.231 8.231 7.735 0.496 19774 1426 1 5 . 1 1 115 115 ALA N N 115 124.227 124.227 121.946 2.281 19774 1427 1 5 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.911 0.297 19774 1428 1 5 . 1 1 115 115 ALA C C 115 179.824 179.824 179.749 0.075 19774 1429 1 5 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.538 -0.981 19774 1430 1 5 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.107 0.174 19774 1431 1 5 . 1 1 115 115 ALA H H 115 8.087 8.087 7.864 0.223 19774 1432 1 5 . 1 1 116 116 GLU N N 116 118.344 118.344 118.183 0.161 19774 1433 1 5 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.010 0.198 19774 1434 1 5 . 1 1 116 116 GLU C C 116 178.142 178.142 179.312 -1.170 19774 1435 1 5 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.008 -1.020 19774 1436 1 5 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.193 0.460 19774 1437 1 5 . 1 1 116 116 GLU H H 116 8.322 8.322 8.156 0.166 19774 1438 1 5 . 1 1 117 117 SER N N 117 115.778 115.778 115.848 -0.070 19774 1439 1 5 . 1 1 117 117 SER HA H 117 4.380 4.380 4.210 0.170 19774 1440 1 5 . 1 1 117 117 SER C C 117 175.595 175.595 176.302 -0.707 19774 1441 1 5 . 1 1 117 117 SER CA C 117 59.926 59.926 61.279 -1.353 19774 1442 1 5 . 1 1 117 117 SER CB C 117 63.351 63.351 62.839 0.512 19774 1443 1 5 . 1 1 117 117 SER H H 117 8.050 8.050 7.949 0.101 19774 1444 1 5 . 1 1 118 118 LEU N N 118 122.792 122.792 121.025 1.767 19774 1445 1 5 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.181 0.101 19774 1446 1 5 . 1 1 118 118 LEU C C 118 177.998 177.998 179.448 -1.450 19774 1447 1 5 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.501 -1.360 19774 1448 1 5 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.796 0.278 19774 1449 1 5 . 1 1 118 118 LEU H H 118 7.984 7.984 7.652 0.332 19774 1450 1 5 . 1 1 119 119 ASN N N 119 118.030 118.030 118.352 -0.322 19774 1451 1 5 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.525 0.178 19774 1452 1 5 . 1 1 119 119 ASN C C 119 175.640 175.640 176.769 -1.129 19774 1453 1 5 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.408 -1.647 19774 1454 1 5 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.265 0.558 19774 1455 1 5 . 1 1 119 119 ASN H H 119 8.199 8.199 8.197 0.002 19774 1456 1 5 . 1 1 120 120 SER N N 120 115.677 115.677 114.614 1.063 19774 1457 1 5 . 1 1 120 120 SER HA H 120 4.473 4.473 4.357 0.116 19774 1458 1 5 . 1 1 120 120 SER CA C 120 58.803 58.803 59.120 -0.317 19774 1459 1 5 . 1 1 120 120 SER CB C 120 63.708 63.708 63.772 -0.064 19774 1460 1 5 . 1 1 120 120 SER H H 120 8.200 8.200 7.560 0.640 19774 1461 1 5 . 1 1 123 123 PRO C C 123 177.186 177.186 176.392 0.794 19774 1462 1 5 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.851 0.507 19774 1463 1 5 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.462 -0.298 19774 1464 1 5 . 1 1 124 124 SER N N 124 116.200 116.200 118.254 -2.054 19774 1465 1 5 . 1 1 124 124 SER HA H 124 4.990 4.990 4.297 0.693 19774 1466 1 5 . 1 1 124 124 SER C C 124 174.548 174.548 175.018 -0.470 19774 1467 1 5 . 1 1 124 124 SER CA C 124 58.600 58.600 58.715 -0.115 19774 1468 1 5 . 1 1 124 124 SER CB C 124 63.727 63.727 64.175 -0.448 19774 1469 1 5 . 1 1 124 124 SER H H 124 8.596 8.596 8.252 0.344 19774 1470 1 5 . 1 1 125 125 ASP N N 125 122.649 122.649 125.479 -2.830 19774 1471 1 5 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.597 0.011 19774 1472 1 5 . 1 1 125 125 ASP C C 125 176.378 176.378 177.790 -1.412 19774 1473 1 5 . 1 1 125 125 ASP CA C 125 54.247 54.247 55.000 -0.753 19774 1474 1 5 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.543 -0.463 19774 1475 1 5 . 1 1 125 125 ASP H H 125 8.427 8.427 8.692 -0.265 19774 1476 1 5 . 1 1 126 126 ALA N N 126 124.975 124.975 126.672 -1.697 19774 1477 1 5 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.041 0.262 19774 1478 1 5 . 1 1 126 126 ALA C C 126 178.138 178.138 178.174 -0.036 19774 1479 1 5 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.547 -1.480 19774 1480 1 5 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.930 -0.011 19774 1481 1 5 . 1 1 126 126 ALA H H 126 8.401 8.401 8.648 -0.247 19774 1482 1 5 . 1 1 127 127 SER N N 127 114.892 114.892 114.139 0.753 19774 1483 1 5 . 1 1 127 127 SER HA H 127 4.380 4.380 4.334 0.046 19774 1484 1 5 . 1 1 127 127 SER C C 127 174.582 174.582 174.980 -0.398 19774 1485 1 5 . 1 1 127 127 SER CA C 127 58.826 58.826 58.748 0.078 19774 1486 1 5 . 1 1 127 127 SER CB C 127 63.662 63.662 63.450 0.212 19774 1487 1 5 . 1 1 127 127 SER H H 127 8.403 8.403 8.032 0.371 19774 1488 1 5 . 1 1 128 128 ALA N N 128 125.815 125.815 123.638 2.177 19774 1489 1 5 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.010 0.379 19774 1490 1 5 . 1 1 128 128 ALA C C 128 177.957 177.957 177.052 0.905 19774 1491 1 5 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.047 -0.335 19774 1492 1 5 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.072 2.172 19774 1493 1 5 . 1 1 128 128 ALA H H 128 8.266 8.266 7.746 0.520 19774 1494 1 5 . 1 1 129 129 THR N N 129 113.766 113.766 113.459 0.307 19774 1495 1 5 . 1 1 129 129 THR HA H 129 4.310 4.310 4.317 -0.007 19774 1496 1 5 . 1 1 129 129 THR C C 129 174.414 174.414 174.311 0.103 19774 1497 1 5 . 1 1 129 129 THR CA C 129 62.010 62.010 61.389 0.621 19774 1498 1 5 . 1 1 129 129 THR CB C 129 69.748 69.748 69.807 -0.059 19774 1499 1 5 . 1 1 129 129 THR H H 129 8.200 8.200 7.529 0.671 19774 1500 1 5 . 1 1 130 130 ARG N N 130 124.611 124.611 122.704 1.907 19774 1501 1 5 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.402 0.048 19774 1502 1 5 . 1 1 130 130 ARG C C 130 175.443 175.443 175.572 -0.129 19774 1503 1 5 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.472 -0.493 19774 1504 1 5 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.451 0.452 19774 1505 1 5 . 1 1 130 130 ARG H H 130 8.457 8.457 8.537 -0.080 19774 1506 1 6 . 1 1 -2 -2 LEU N N -2 122.796 122.796 122.028 0.768 19774 1507 1 6 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.447 -0.102 19774 1508 1 6 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.113 1.041 19774 1509 1 6 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 54.784 0.808 19774 1510 1 6 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 42.349 -0.121 19774 1511 1 6 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.338 0.366 19774 1512 1 6 . 1 1 -1 -1 GLY N N -1 110.002 110.002 112.652 -2.650 19774 1513 1 6 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.368 0.100 19774 1514 1 6 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.790 0.533 19774 1515 1 6 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.620 -0.072 19774 1516 1 6 . 1 1 75 75 LYS N N 75 123.250 123.250 121.537 1.713 19774 1517 1 6 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.317 -0.014 19774 1518 1 6 . 1 1 75 75 LYS C C 75 176.826 176.826 176.814 0.012 19774 1519 1 6 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.372 0.009 19774 1520 1 6 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.119 -0.245 19774 1521 1 6 . 1 1 75 75 LYS H H 75 8.447 8.447 8.277 0.170 19774 1522 1 6 . 1 1 76 76 ILE N N 76 123.138 123.138 122.971 0.167 19774 1523 1 6 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.041 0.051 19774 1524 1 6 . 1 1 76 76 ILE C C 76 176.311 176.311 176.435 -0.124 19774 1525 1 6 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.997 0.591 19774 1526 1 6 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.132 0.438 19774 1527 1 6 . 1 1 76 76 ILE H H 76 8.315 8.315 8.096 0.219 19774 1528 1 6 . 1 1 77 77 ALA N N 77 127.035 127.035 130.478 -3.443 19774 1529 1 6 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.229 0.029 19774 1530 1 6 . 1 1 77 77 ALA C C 77 177.642 177.642 177.152 0.490 19774 1531 1 6 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.742 1.093 19774 1532 1 6 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.426 -0.326 19774 1533 1 6 . 1 1 77 77 ALA H H 77 8.446 8.446 8.161 0.285 19774 1534 1 6 . 1 1 78 78 GLN N N 78 119.150 119.150 121.442 -2.292 19774 1535 1 6 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.243 0.070 19774 1536 1 6 . 1 1 78 78 GLN C C 78 176.025 176.025 175.831 0.194 19774 1537 1 6 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.969 -0.248 19774 1538 1 6 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.509 0.023 19774 1539 1 6 . 1 1 78 78 GLN H H 78 8.323 8.323 8.373 -0.050 19774 1540 1 6 . 1 1 79 79 MET N N 79 122.456 122.456 123.395 -0.939 19774 1541 1 6 . 1 1 79 79 MET HA H 79 4.619 4.619 4.352 0.267 19774 1542 1 6 . 1 1 79 79 MET C C 79 177.080 177.080 177.258 -0.178 19774 1543 1 6 . 1 1 79 79 MET CA C 79 56.021 56.021 55.561 0.460 19774 1544 1 6 . 1 1 79 79 MET CB C 79 34.723 34.723 33.229 1.494 19774 1545 1 6 . 1 1 79 79 MET H H 79 8.410 8.410 8.410 0.000 19774 1546 1 6 . 1 1 80 80 THR N N 80 115.145 115.145 115.481 -0.336 19774 1547 1 6 . 1 1 80 80 THR HA H 80 4.390 4.390 4.475 -0.085 19774 1548 1 6 . 1 1 80 80 THR C C 80 175.463 175.463 175.221 0.242 19774 1549 1 6 . 1 1 80 80 THR CA C 80 61.546 61.546 61.185 0.361 19774 1550 1 6 . 1 1 80 80 THR CB C 80 70.845 70.845 70.605 0.240 19774 1551 1 6 . 1 1 80 80 THR H H 80 8.915 8.915 8.559 0.356 19774 1552 1 6 . 1 1 81 81 GLU N N 81 122.254 122.254 123.004 -0.750 19774 1553 1 6 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.958 0.049 19774 1554 1 6 . 1 1 81 81 GLU C C 81 178.734 178.734 178.822 -0.088 19774 1555 1 6 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.144 -0.346 19774 1556 1 6 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.623 -0.230 19774 1557 1 6 . 1 1 81 81 GLU H H 81 9.076 9.076 8.956 0.120 19774 1558 1 6 . 1 1 82 82 GLU N N 82 119.436 119.436 119.246 0.190 19774 1559 1 6 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.156 -0.033 19774 1560 1 6 . 1 1 82 82 GLU C C 82 179.545 179.545 178.699 0.846 19774 1561 1 6 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.087 0.738 19774 1562 1 6 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.134 0.134 19774 1563 1 6 . 1 1 82 82 GLU H H 82 8.839 8.839 8.574 0.265 19774 1564 1 6 . 1 1 83 83 GLU N N 83 121.597 121.597 119.747 1.850 19774 1565 1 6 . 1 1 83 83 GLU HA H 83 4.102 4.102 3.977 0.125 19774 1566 1 6 . 1 1 83 83 GLU C C 83 179.440 179.440 178.640 0.800 19774 1567 1 6 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.334 -0.431 19774 1568 1 6 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.612 0.415 19774 1569 1 6 . 1 1 83 83 GLU H H 83 8.029 8.029 7.782 0.247 19774 1570 1 6 . 1 1 84 84 GLN N N 84 120.565 120.565 119.506 1.059 19774 1571 1 6 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.063 -0.034 19774 1572 1 6 . 1 1 84 84 GLN C C 84 178.689 178.689 178.198 0.491 19774 1573 1 6 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.880 0.139 19774 1574 1 6 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.677 -0.064 19774 1575 1 6 . 1 1 84 84 GLN H H 84 8.575 8.575 8.105 0.470 19774 1576 1 6 . 1 1 85 85 PHE N N 85 121.525 121.525 120.428 1.097 19774 1577 1 6 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.120 0.109 19774 1578 1 6 . 1 1 85 85 PHE C C 85 177.713 177.713 176.863 0.850 19774 1579 1 6 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.807 -0.484 19774 1580 1 6 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.898 -0.178 19774 1581 1 6 . 1 1 85 85 PHE H H 85 8.483 8.483 8.223 0.260 19774 1582 1 6 . 1 1 86 86 ALA N N 86 121.849 121.849 122.393 -0.544 19774 1583 1 6 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.920 0.224 19774 1584 1 6 . 1 1 86 86 ALA C C 86 180.283 180.283 179.636 0.647 19774 1585 1 6 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.104 -0.409 19774 1586 1 6 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.197 0.015 19774 1587 1 6 . 1 1 86 86 ALA H H 86 8.072 8.072 8.383 -0.311 19774 1588 1 6 . 1 1 87 87 LEU N N 87 120.459 120.459 119.077 1.382 19774 1589 1 6 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.994 0.224 19774 1590 1 6 . 1 1 87 87 LEU C C 87 178.387 178.387 179.102 -0.715 19774 1591 1 6 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.444 -0.187 19774 1592 1 6 . 1 1 87 87 LEU CB C 87 41.875 41.875 40.795 1.080 19774 1593 1 6 . 1 1 87 87 LEU H H 87 8.010 8.010 8.134 -0.124 19774 1594 1 6 . 1 1 88 88 ALA N N 88 122.123 122.123 122.029 0.094 19774 1595 1 6 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.974 0.160 19774 1596 1 6 . 1 1 88 88 ALA C C 88 180.241 180.241 179.906 0.335 19774 1597 1 6 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.836 -0.344 19774 1598 1 6 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.300 -0.441 19774 1599 1 6 . 1 1 88 88 ALA H H 88 7.981 7.981 7.695 0.286 19774 1600 1 6 . 1 1 89 89 LEU N N 89 119.923 119.923 118.668 1.255 19774 1601 1 6 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.768 0.366 19774 1602 1 6 . 1 1 89 89 LEU C C 89 178.981 178.981 178.838 0.143 19774 1603 1 6 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.570 -0.566 19774 1604 1 6 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.353 0.592 19774 1605 1 6 . 1 1 89 89 LEU H H 89 7.897 7.897 7.537 0.360 19774 1606 1 6 . 1 1 90 90 LYS N N 90 120.679 120.679 120.089 0.590 19774 1607 1 6 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.955 0.221 19774 1608 1 6 . 1 1 90 90 LYS C C 90 178.799 178.799 178.862 -0.063 19774 1609 1 6 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.038 -0.839 19774 1610 1 6 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.068 0.375 19774 1611 1 6 . 1 1 90 90 LYS H H 90 7.913 7.913 7.686 0.227 19774 1612 1 6 . 1 1 91 91 MET N N 91 118.958 118.958 118.630 0.328 19774 1613 1 6 . 1 1 91 91 MET HA H 91 4.366 4.366 4.084 0.282 19774 1614 1 6 . 1 1 91 91 MET C C 91 177.925 177.925 178.563 -0.638 19774 1615 1 6 . 1 1 91 91 MET CA C 91 57.121 57.121 59.294 -2.173 19774 1616 1 6 . 1 1 91 91 MET CB C 91 32.242 32.242 32.523 -0.280 19774 1617 1 6 . 1 1 91 91 MET H H 91 8.392 8.392 7.917 0.475 19774 1618 1 6 . 1 1 92 92 SER N N 92 116.458 116.458 115.817 0.641 19774 1619 1 6 . 1 1 92 92 SER HA H 92 4.376 4.376 4.204 0.172 19774 1620 1 6 . 1 1 92 92 SER C C 92 175.910 175.910 177.149 -1.239 19774 1621 1 6 . 1 1 92 92 SER CA C 92 60.139 60.139 61.611 -1.472 19774 1622 1 6 . 1 1 92 92 SER CB C 92 63.292 63.292 62.610 0.682 19774 1623 1 6 . 1 1 92 92 SER H H 92 8.268 8.268 7.819 0.449 19774 1624 1 6 . 1 1 93 93 GLU N N 93 122.379 122.379 121.717 0.662 19774 1625 1 6 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.001 0.207 19774 1626 1 6 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.374 -1.381 19774 1627 1 6 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.113 0.673 19774 1628 1 6 . 1 1 93 93 GLU H H 93 8.255 8.255 8.263 -0.008 19774 1629 1 6 . 1 1 94 94 GLN C C 94 177.043 177.043 178.697 -1.654 19774 1630 1 6 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.399 -1.290 19774 1631 1 6 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.451 0.520 19774 1632 1 6 . 1 1 95 95 GLU N N 95 121.162 121.162 119.350 1.812 19774 1633 1 6 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.139 0.027 19774 1634 1 6 . 1 1 95 95 GLU C C 95 177.150 177.150 179.153 -2.003 19774 1635 1 6 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.624 -1.045 19774 1636 1 6 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.650 0.332 19774 1637 1 6 . 1 1 95 95 GLU H H 95 8.294 8.294 7.766 0.528 19774 1638 1 6 . 1 1 96 96 ALA N N 96 123.599 123.599 122.620 0.979 19774 1639 1 6 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.117 0.196 19774 1640 1 6 . 1 1 96 96 ALA C C 96 178.276 178.276 179.800 -1.524 19774 1641 1 6 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.710 -1.528 19774 1642 1 6 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.303 0.382 19774 1643 1 6 . 1 1 96 96 ALA H H 96 8.209 8.209 8.426 -0.217 19774 1644 1 6 . 1 1 97 97 ARG N N 97 119.759 119.759 115.874 3.885 19774 1645 1 6 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.096 0.196 19774 1646 1 6 . 1 1 97 97 ARG C C 97 176.904 176.904 177.369 -0.465 19774 1647 1 6 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.095 -1.393 19774 1648 1 6 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.801 1.069 19774 1649 1 6 . 1 1 97 97 ARG H H 97 8.123 8.123 7.510 0.613 19774 1650 1 6 . 1 1 98 98 GLU N N 98 121.995 121.995 115.961 6.034 19774 1651 1 6 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.353 -0.093 19774 1652 1 6 . 1 1 98 98 GLU C C 98 176.939 176.939 176.675 0.264 19774 1653 1 6 . 1 1 98 98 GLU CA C 98 56.950 56.950 55.698 1.252 19774 1654 1 6 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.124 -0.073 19774 1655 1 6 . 1 1 98 98 GLU H H 98 8.382 8.382 7.697 0.685 19774 1656 1 6 . 1 1 99 99 VAL N N 99 121.412 121.412 121.516 -0.104 19774 1657 1 6 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.994 0.077 19774 1658 1 6 . 1 1 99 99 VAL C C 99 176.276 176.276 175.764 0.512 19774 1659 1 6 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.166 0.770 19774 1660 1 6 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.322 0.428 19774 1661 1 6 . 1 1 99 99 VAL H H 99 8.269 8.269 7.490 0.779 19774 1662 1 6 . 1 1 100 100 ASN N N 100 122.455 122.455 124.559 -2.104 19774 1663 1 6 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.524 0.295 19774 1664 1 6 . 1 1 100 100 ASN C C 100 175.671 175.671 176.485 -0.814 19774 1665 1 6 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.128 -0.703 19774 1666 1 6 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.293 -0.253 19774 1667 1 6 . 1 1 100 100 ASN H H 100 8.642 8.642 8.496 0.146 19774 1668 1 6 . 1 1 101 101 SER N N 101 117.265 117.265 116.311 0.954 19774 1669 1 6 . 1 1 101 101 SER HA H 101 4.408 4.408 4.077 0.331 19774 1670 1 6 . 1 1 101 101 SER C C 101 175.147 175.147 176.012 -0.865 19774 1671 1 6 . 1 1 101 101 SER CA C 101 59.187 59.187 62.015 -2.828 19774 1672 1 6 . 1 1 101 101 SER CB C 101 63.672 63.672 63.155 0.517 19774 1673 1 6 . 1 1 101 101 SER H H 101 8.548 8.548 8.696 -0.148 19774 1674 1 6 . 1 1 102 102 GLN N N 102 122.686 122.686 118.578 4.108 19774 1675 1 6 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.158 0.134 19774 1676 1 6 . 1 1 102 102 GLN C C 102 177.127 177.127 178.190 -1.063 19774 1677 1 6 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.548 -1.163 19774 1678 1 6 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.806 0.994 19774 1679 1 6 . 1 1 102 102 GLN H H 102 8.596 8.596 8.554 0.042 19774 1680 1 6 . 1 1 103 103 GLU N N 103 121.071 121.071 121.560 -0.489 19774 1681 1 6 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.079 0.097 19774 1682 1 6 . 1 1 103 103 GLU C C 103 178.080 178.080 178.749 -0.669 19774 1683 1 6 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.198 -0.897 19774 1684 1 6 . 1 1 103 103 GLU CB C 103 29.701 29.701 28.969 0.732 19774 1685 1 6 . 1 1 103 103 GLU H H 103 8.502 8.502 8.569 -0.067 19774 1686 1 6 . 1 1 104 104 GLU N N 104 121.073 121.073 120.022 1.051 19774 1687 1 6 . 1 1 104 104 GLU C C 104 178.186 178.186 178.713 -0.527 19774 1688 1 6 . 1 1 104 104 GLU H H 104 8.389 8.389 8.679 -0.290 19774 1689 1 6 . 1 1 105 105 GLU N N 105 121.561 121.561 120.908 0.653 19774 1690 1 6 . 1 1 105 105 GLU C C 105 178.380 178.380 178.708 -0.328 19774 1691 1 6 . 1 1 105 105 GLU H H 105 8.454 8.454 7.979 0.475 19774 1692 1 6 . 1 1 106 106 GLU N N 106 120.852 120.852 119.447 1.405 19774 1693 1 6 . 1 1 106 106 GLU C C 106 178.758 178.758 178.860 -0.102 19774 1694 1 6 . 1 1 106 106 GLU H H 106 8.473 8.473 7.630 0.843 19774 1695 1 6 . 1 1 107 107 GLU N N 107 120.445 120.445 120.448 -0.003 19774 1696 1 6 . 1 1 107 107 GLU C C 107 178.661 178.661 178.527 0.134 19774 1697 1 6 . 1 1 107 107 GLU H H 107 8.396 8.396 8.577 -0.181 19774 1698 1 6 . 1 1 108 108 GLU N N 108 121.089 121.089 120.422 0.667 19774 1699 1 6 . 1 1 108 108 GLU C C 108 178.454 178.454 178.996 -0.542 19774 1700 1 6 . 1 1 108 108 GLU H H 108 8.139 8.139 8.434 -0.295 19774 1701 1 6 . 1 1 109 109 LEU N N 109 120.552 120.552 119.772 0.780 19774 1702 1 6 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.033 0.080 19774 1703 1 6 . 1 1 109 109 LEU C C 109 180.104 180.104 179.331 0.773 19774 1704 1 6 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.549 0.361 19774 1705 1 6 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.889 -0.198 19774 1706 1 6 . 1 1 109 109 LEU H H 109 8.097 8.097 7.755 0.342 19774 1707 1 6 . 1 1 110 110 LEU N N 110 121.275 121.275 120.259 1.016 19774 1708 1 6 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.985 0.254 19774 1709 1 6 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.919 -0.424 19774 1710 1 6 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.614 0.042 19774 1711 1 6 . 1 1 110 110 LEU H H 110 7.964 7.964 8.062 -0.098 19774 1712 1 6 . 1 1 112 112 LYS N N 112 120.602 120.602 119.157 1.445 19774 1713 1 6 . 1 1 112 112 LYS C C 112 177.904 177.904 178.819 -0.915 19774 1714 1 6 . 1 1 112 112 LYS H H 112 8.279 8.279 7.946 0.333 19774 1715 1 6 . 1 1 113 113 ALA N N 113 122.972 122.972 122.844 0.128 19774 1716 1 6 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.099 0.183 19774 1717 1 6 . 1 1 113 113 ALA C C 113 180.557 180.557 180.026 0.531 19774 1718 1 6 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.176 -0.700 19774 1719 1 6 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.117 0.149 19774 1720 1 6 . 1 1 113 113 ALA H H 113 7.992 7.992 7.713 0.279 19774 1721 1 6 . 1 1 114 114 ILE N N 114 120.299 120.299 119.493 0.806 19774 1722 1 6 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.887 -0.038 19774 1723 1 6 . 1 1 114 114 ILE C C 114 178.314 178.314 178.849 -0.535 19774 1724 1 6 . 1 1 114 114 ILE CA C 114 63.783 63.783 62.656 1.127 19774 1725 1 6 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.382 1.949 19774 1726 1 6 . 1 1 114 114 ILE H H 114 8.231 8.231 7.704 0.527 19774 1727 1 6 . 1 1 115 115 ALA N N 115 124.227 124.227 123.010 1.217 19774 1728 1 6 . 1 1 115 115 ALA HA H 115 4.208 4.208 4.041 0.167 19774 1729 1 6 . 1 1 115 115 ALA C C 115 179.824 179.824 179.863 -0.039 19774 1730 1 6 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.666 -1.109 19774 1731 1 6 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.251 0.030 19774 1732 1 6 . 1 1 115 115 ALA H H 115 8.087 8.087 8.338 -0.251 19774 1733 1 6 . 1 1 116 116 GLU N N 116 118.344 118.344 118.150 0.194 19774 1734 1 6 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.030 0.178 19774 1735 1 6 . 1 1 116 116 GLU C C 116 178.142 178.142 179.377 -1.235 19774 1736 1 6 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.092 -1.104 19774 1737 1 6 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.242 0.411 19774 1738 1 6 . 1 1 116 116 GLU H H 116 8.322 8.322 8.548 -0.226 19774 1739 1 6 . 1 1 117 117 SER N N 117 115.778 115.778 115.866 -0.088 19774 1740 1 6 . 1 1 117 117 SER HA H 117 4.380 4.380 4.286 0.094 19774 1741 1 6 . 1 1 117 117 SER C C 117 175.595 175.595 176.701 -1.106 19774 1742 1 6 . 1 1 117 117 SER CA C 117 59.926 59.926 61.400 -1.474 19774 1743 1 6 . 1 1 117 117 SER CB C 117 63.351 63.351 62.787 0.564 19774 1744 1 6 . 1 1 117 117 SER H H 117 8.050 8.050 8.198 -0.148 19774 1745 1 6 . 1 1 118 118 LEU N N 118 122.792 122.792 121.683 1.109 19774 1746 1 6 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.105 0.177 19774 1747 1 6 . 1 1 118 118 LEU C C 118 177.998 177.998 178.940 -0.942 19774 1748 1 6 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.592 -1.451 19774 1749 1 6 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.425 0.649 19774 1750 1 6 . 1 1 118 118 LEU H H 118 7.984 7.984 8.069 -0.085 19774 1751 1 6 . 1 1 119 119 ASN N N 119 118.030 118.030 115.942 2.088 19774 1752 1 6 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.513 0.190 19774 1753 1 6 . 1 1 119 119 ASN C C 119 175.640 175.640 175.988 -0.348 19774 1754 1 6 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.334 -1.573 19774 1755 1 6 . 1 1 119 119 ASN CB C 119 38.823 38.823 39.365 -0.542 19774 1756 1 6 . 1 1 119 119 ASN H H 119 8.199 8.199 7.984 0.215 19774 1757 1 6 . 1 1 120 120 SER N N 120 115.677 115.677 113.747 1.930 19774 1758 1 6 . 1 1 120 120 SER HA H 120 4.473 4.473 4.465 0.008 19774 1759 1 6 . 1 1 120 120 SER CA C 120 58.803 58.803 59.130 -0.327 19774 1760 1 6 . 1 1 120 120 SER CB C 120 63.708 63.708 63.645 0.063 19774 1761 1 6 . 1 1 120 120 SER H H 120 8.200 8.200 7.849 0.351 19774 1762 1 6 . 1 1 123 123 PRO C C 123 177.186 177.186 177.398 -0.212 19774 1763 1 6 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.580 0.778 19774 1764 1 6 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.111 0.052 19774 1765 1 6 . 1 1 124 124 SER N N 124 116.200 116.200 117.689 -1.489 19774 1766 1 6 . 1 1 124 124 SER HA H 124 4.990 4.990 4.327 0.663 19774 1767 1 6 . 1 1 124 124 SER C C 124 174.548 174.548 174.632 -0.084 19774 1768 1 6 . 1 1 124 124 SER CA C 124 58.600 58.600 58.530 0.070 19774 1769 1 6 . 1 1 124 124 SER CB C 124 63.727 63.727 63.817 -0.090 19774 1770 1 6 . 1 1 124 124 SER H H 124 8.596 8.596 8.336 0.260 19774 1771 1 6 . 1 1 125 125 ASP N N 125 122.649 122.649 125.807 -3.158 19774 1772 1 6 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.583 0.025 19774 1773 1 6 . 1 1 125 125 ASP C C 125 176.378 176.378 177.417 -1.039 19774 1774 1 6 . 1 1 125 125 ASP CA C 125 54.247 54.247 55.203 -0.956 19774 1775 1 6 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.808 -0.728 19774 1776 1 6 . 1 1 125 125 ASP H H 125 8.427 8.427 8.667 -0.240 19774 1777 1 6 . 1 1 126 126 ALA N N 126 124.975 124.975 126.835 -1.860 19774 1778 1 6 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.114 0.189 19774 1779 1 6 . 1 1 126 126 ALA C C 126 178.138 178.138 178.470 -0.332 19774 1780 1 6 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.245 -1.178 19774 1781 1 6 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.808 0.111 19774 1782 1 6 . 1 1 126 126 ALA H H 126 8.401 8.401 8.575 -0.174 19774 1783 1 6 . 1 1 127 127 SER N N 127 114.892 114.892 113.678 1.214 19774 1784 1 6 . 1 1 127 127 SER HA H 127 4.380 4.380 4.346 0.034 19774 1785 1 6 . 1 1 127 127 SER C C 127 174.582 174.582 174.861 -0.279 19774 1786 1 6 . 1 1 127 127 SER CA C 127 58.826 58.826 58.368 0.458 19774 1787 1 6 . 1 1 127 127 SER CB C 127 63.662 63.662 63.394 0.268 19774 1788 1 6 . 1 1 127 127 SER H H 127 8.403 8.403 7.965 0.438 19774 1789 1 6 . 1 1 128 128 ALA N N 128 125.815 125.815 120.486 5.329 19774 1790 1 6 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.043 0.346 19774 1791 1 6 . 1 1 128 128 ALA C C 128 177.957 177.957 176.343 1.614 19774 1792 1 6 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.296 -0.584 19774 1793 1 6 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.364 1.880 19774 1794 1 6 . 1 1 128 128 ALA H H 128 8.266 8.266 7.940 0.326 19774 1795 1 6 . 1 1 129 129 THR N N 129 113.766 113.766 109.867 3.899 19774 1796 1 6 . 1 1 129 129 THR HA H 129 4.310 4.310 4.288 0.022 19774 1797 1 6 . 1 1 129 129 THR C C 129 174.414 174.414 174.322 0.092 19774 1798 1 6 . 1 1 129 129 THR CA C 129 62.010 62.010 61.138 0.872 19774 1799 1 6 . 1 1 129 129 THR CB C 129 69.748 69.748 69.623 0.125 19774 1800 1 6 . 1 1 129 129 THR H H 129 8.200 8.200 7.690 0.510 19774 1801 1 6 . 1 1 130 130 ARG N N 130 124.611 124.611 122.593 2.018 19774 1802 1 6 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.379 0.071 19774 1803 1 6 . 1 1 130 130 ARG C C 130 175.443 175.443 176.610 -1.167 19774 1804 1 6 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.243 -0.264 19774 1805 1 6 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.902 0.000 19774 1806 1 6 . 1 1 130 130 ARG H H 130 8.457 8.457 8.496 -0.039 19774 1807 1 7 . 1 1 -2 -2 LEU N N -2 122.796 122.796 117.507 5.289 19774 1808 1 7 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 3.822 0.523 19774 1809 1 7 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.737 0.417 19774 1810 1 7 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.774 -0.182 19774 1811 1 7 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 40.693 1.536 19774 1812 1 7 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.612 1.092 19774 1813 1 7 . 1 1 -1 -1 GLY N N -1 110.002 110.002 105.763 4.239 19774 1814 1 7 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.721 -0.253 19774 1815 1 7 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.018 0.305 19774 1816 1 7 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.548 0.000 19774 1817 1 7 . 1 1 75 75 LYS N N 75 123.250 123.250 121.702 1.548 19774 1818 1 7 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.315 -0.012 19774 1819 1 7 . 1 1 75 75 LYS C C 75 176.826 176.826 176.353 0.473 19774 1820 1 7 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.056 0.325 19774 1821 1 7 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.116 -0.242 19774 1822 1 7 . 1 1 75 75 LYS H H 75 8.447 8.447 8.197 0.249 19774 1823 1 7 . 1 1 76 76 ILE N N 76 123.138 123.138 122.165 0.973 19774 1824 1 7 . 1 1 76 76 ILE HA H 76 4.092 4.092 3.958 0.134 19774 1825 1 7 . 1 1 76 76 ILE C C 76 176.311 176.311 176.438 -0.127 19774 1826 1 7 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.270 0.318 19774 1827 1 7 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.029 0.540 19774 1828 1 7 . 1 1 76 76 ILE H H 76 8.315 8.315 8.128 0.187 19774 1829 1 7 . 1 1 77 77 ALA N N 77 127.035 127.035 129.994 -2.959 19774 1830 1 7 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.203 0.055 19774 1831 1 7 . 1 1 77 77 ALA C C 77 177.642 177.642 177.058 0.584 19774 1832 1 7 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.754 1.081 19774 1833 1 7 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.375 -0.275 19774 1834 1 7 . 1 1 77 77 ALA H H 77 8.446 8.446 8.085 0.361 19774 1835 1 7 . 1 1 78 78 GLN N N 78 119.150 119.150 121.120 -1.970 19774 1836 1 7 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.253 0.060 19774 1837 1 7 . 1 1 78 78 GLN C C 78 176.025 176.025 176.100 -0.075 19774 1838 1 7 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.048 -0.327 19774 1839 1 7 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.238 0.293 19774 1840 1 7 . 1 1 78 78 GLN H H 78 8.323 8.323 8.404 -0.081 19774 1841 1 7 . 1 1 79 79 MET N N 79 122.456 122.456 123.142 -0.686 19774 1842 1 7 . 1 1 79 79 MET HA H 79 4.619 4.619 4.559 0.060 19774 1843 1 7 . 1 1 79 79 MET C C 79 177.080 177.080 176.392 0.688 19774 1844 1 7 . 1 1 79 79 MET CA C 79 56.021 56.021 55.167 0.854 19774 1845 1 7 . 1 1 79 79 MET CB C 79 34.723 34.723 33.601 1.122 19774 1846 1 7 . 1 1 79 79 MET H H 79 8.410 8.410 8.233 0.177 19774 1847 1 7 . 1 1 80 80 THR N N 80 115.145 115.145 113.891 1.254 19774 1848 1 7 . 1 1 80 80 THR HA H 80 4.390 4.390 4.372 0.018 19774 1849 1 7 . 1 1 80 80 THR C C 80 175.463 175.463 175.409 0.054 19774 1850 1 7 . 1 1 80 80 THR CA C 80 61.546 61.546 61.015 0.531 19774 1851 1 7 . 1 1 80 80 THR CB C 80 70.845 70.845 70.282 0.563 19774 1852 1 7 . 1 1 80 80 THR H H 80 8.915 8.915 8.017 0.898 19774 1853 1 7 . 1 1 81 81 GLU N N 81 122.254 122.254 122.952 -0.698 19774 1854 1 7 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.002 0.005 19774 1855 1 7 . 1 1 81 81 GLU C C 81 178.734 178.734 178.782 -0.048 19774 1856 1 7 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.899 -0.101 19774 1857 1 7 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.442 -0.048 19774 1858 1 7 . 1 1 81 81 GLU H H 81 9.076 9.076 8.934 0.142 19774 1859 1 7 . 1 1 82 82 GLU N N 82 119.436 119.436 118.648 0.788 19774 1860 1 7 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.079 0.044 19774 1861 1 7 . 1 1 82 82 GLU C C 82 179.545 179.545 178.972 0.573 19774 1862 1 7 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.559 0.266 19774 1863 1 7 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.140 0.128 19774 1864 1 7 . 1 1 82 82 GLU H H 82 8.839 8.839 8.679 0.160 19774 1865 1 7 . 1 1 83 83 GLU N N 83 121.597 121.597 119.653 1.944 19774 1866 1 7 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.062 0.040 19774 1867 1 7 . 1 1 83 83 GLU C C 83 179.440 179.440 178.728 0.712 19774 1868 1 7 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.340 -0.437 19774 1869 1 7 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.623 0.404 19774 1870 1 7 . 1 1 83 83 GLU H H 83 8.029 8.029 7.764 0.265 19774 1871 1 7 . 1 1 84 84 GLN N N 84 120.565 120.565 119.437 1.128 19774 1872 1 7 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.069 -0.040 19774 1873 1 7 . 1 1 84 84 GLN C C 84 178.689 178.689 178.276 0.413 19774 1874 1 7 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.912 0.107 19774 1875 1 7 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.591 0.022 19774 1876 1 7 . 1 1 84 84 GLN H H 84 8.575 8.575 8.055 0.520 19774 1877 1 7 . 1 1 85 85 PHE N N 85 121.525 121.525 120.856 0.669 19774 1878 1 7 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.098 0.131 19774 1879 1 7 . 1 1 85 85 PHE C C 85 177.713 177.713 176.846 0.867 19774 1880 1 7 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.335 -1.012 19774 1881 1 7 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.993 -0.273 19774 1882 1 7 . 1 1 85 85 PHE H H 85 8.483 8.483 8.348 0.135 19774 1883 1 7 . 1 1 86 86 ALA N N 86 121.849 121.849 122.131 -0.282 19774 1884 1 7 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.946 0.198 19774 1885 1 7 . 1 1 86 86 ALA C C 86 180.283 180.283 179.416 0.867 19774 1886 1 7 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.081 -0.386 19774 1887 1 7 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.163 0.049 19774 1888 1 7 . 1 1 86 86 ALA H H 86 8.072 8.072 8.260 -0.188 19774 1889 1 7 . 1 1 87 87 LEU N N 87 120.459 120.459 119.586 0.873 19774 1890 1 7 . 1 1 87 87 LEU HA H 87 4.218 4.218 4.019 0.199 19774 1891 1 7 . 1 1 87 87 LEU C C 87 178.387 178.387 178.803 -0.416 19774 1892 1 7 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.210 0.047 19774 1893 1 7 . 1 1 87 87 LEU CB C 87 41.875 41.875 40.789 1.086 19774 1894 1 7 . 1 1 87 87 LEU H H 87 8.010 8.010 7.936 0.074 19774 1895 1 7 . 1 1 88 88 ALA N N 88 122.123 122.123 121.961 0.162 19774 1896 1 7 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.936 0.198 19774 1897 1 7 . 1 1 88 88 ALA C C 88 180.241 180.241 179.630 0.611 19774 1898 1 7 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.870 -0.378 19774 1899 1 7 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.216 -0.357 19774 1900 1 7 . 1 1 88 88 ALA H H 88 7.981 7.981 7.792 0.189 19774 1901 1 7 . 1 1 89 89 LEU N N 89 119.923 119.923 118.833 1.090 19774 1902 1 7 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.789 0.345 19774 1903 1 7 . 1 1 89 89 LEU C C 89 178.981 178.981 179.033 -0.052 19774 1904 1 7 . 1 1 89 89 LEU CA C 89 57.004 57.004 58.102 -1.098 19774 1905 1 7 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.393 0.552 19774 1906 1 7 . 1 1 89 89 LEU H H 89 7.897 7.897 7.520 0.377 19774 1907 1 7 . 1 1 90 90 LYS N N 90 120.679 120.679 119.744 0.935 19774 1908 1 7 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.987 0.189 19774 1909 1 7 . 1 1 90 90 LYS C C 90 178.799 178.799 179.313 -0.514 19774 1910 1 7 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.513 -1.313 19774 1911 1 7 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.363 0.080 19774 1912 1 7 . 1 1 90 90 LYS H H 90 7.913 7.913 7.695 0.218 19774 1913 1 7 . 1 1 91 91 MET N N 91 118.958 118.958 119.045 -0.087 19774 1914 1 7 . 1 1 91 91 MET HA H 91 4.366 4.366 4.091 0.275 19774 1915 1 7 . 1 1 91 91 MET C C 91 177.925 177.925 178.477 -0.552 19774 1916 1 7 . 1 1 91 91 MET CA C 91 57.121 57.121 59.119 -1.998 19774 1917 1 7 . 1 1 91 91 MET CB C 91 32.242 32.242 32.622 -0.380 19774 1918 1 7 . 1 1 91 91 MET H H 91 8.392 8.392 8.021 0.371 19774 1919 1 7 . 1 1 92 92 SER N N 92 116.458 116.458 116.030 0.428 19774 1920 1 7 . 1 1 92 92 SER HA H 92 4.376 4.376 4.178 0.198 19774 1921 1 7 . 1 1 92 92 SER C C 92 175.910 175.910 177.005 -1.095 19774 1922 1 7 . 1 1 92 92 SER CA C 92 60.139 60.139 61.804 -1.665 19774 1923 1 7 . 1 1 92 92 SER CB C 92 63.292 63.292 62.634 0.658 19774 1924 1 7 . 1 1 92 92 SER H H 92 8.268 8.268 8.230 0.038 19774 1925 1 7 . 1 1 93 93 GLU N N 93 122.379 122.379 122.817 -0.438 19774 1926 1 7 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.888 0.320 19774 1927 1 7 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.611 -1.618 19774 1928 1 7 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.363 0.423 19774 1929 1 7 . 1 1 93 93 GLU H H 93 8.255 8.255 8.263 -0.008 19774 1930 1 7 . 1 1 94 94 GLN C C 94 177.043 177.043 178.949 -1.906 19774 1931 1 7 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.532 -1.423 19774 1932 1 7 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.415 0.556 19774 1933 1 7 . 1 1 95 95 GLU N N 95 121.162 121.162 119.454 1.708 19774 1934 1 7 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.052 0.114 19774 1935 1 7 . 1 1 95 95 GLU C C 95 177.150 177.150 178.913 -1.763 19774 1936 1 7 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.803 -1.224 19774 1937 1 7 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.478 0.504 19774 1938 1 7 . 1 1 95 95 GLU H H 95 8.294 8.294 7.865 0.429 19774 1939 1 7 . 1 1 96 96 ALA N N 96 123.599 123.599 121.923 1.676 19774 1940 1 7 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.124 0.189 19774 1941 1 7 . 1 1 96 96 ALA C C 96 178.276 178.276 179.699 -1.423 19774 1942 1 7 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.629 -1.446 19774 1943 1 7 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.537 0.148 19774 1944 1 7 . 1 1 96 96 ALA H H 96 8.209 8.209 8.117 0.092 19774 1945 1 7 . 1 1 97 97 ARG N N 97 119.759 119.759 115.555 4.204 19774 1946 1 7 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.100 0.192 19774 1947 1 7 . 1 1 97 97 ARG C C 97 176.904 176.904 177.583 -0.679 19774 1948 1 7 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.518 -1.816 19774 1949 1 7 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.315 0.555 19774 1950 1 7 . 1 1 97 97 ARG H H 97 8.123 8.123 7.583 0.540 19774 1951 1 7 . 1 1 98 98 GLU N N 98 121.995 121.995 116.288 5.707 19774 1952 1 7 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.248 0.012 19774 1953 1 7 . 1 1 98 98 GLU C C 98 176.939 176.939 176.491 0.448 19774 1954 1 7 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.407 0.543 19774 1955 1 7 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.212 -0.161 19774 1956 1 7 . 1 1 98 98 GLU H H 98 8.382 8.382 7.673 0.709 19774 1957 1 7 . 1 1 99 99 VAL N N 99 121.412 121.412 118.795 2.617 19774 1958 1 7 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.991 0.080 19774 1959 1 7 . 1 1 99 99 VAL C C 99 176.276 176.276 175.856 0.420 19774 1960 1 7 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.116 0.820 19774 1961 1 7 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.474 0.277 19774 1962 1 7 . 1 1 99 99 VAL H H 99 8.269 8.269 7.092 1.177 19774 1963 1 7 . 1 1 100 100 ASN N N 100 122.455 122.455 123.971 -1.516 19774 1964 1 7 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.545 0.274 19774 1965 1 7 . 1 1 100 100 ASN C C 100 175.671 175.671 176.439 -0.768 19774 1966 1 7 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.185 -0.760 19774 1967 1 7 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.943 -0.903 19774 1968 1 7 . 1 1 100 100 ASN H H 100 8.642 8.642 8.445 0.197 19774 1969 1 7 . 1 1 101 101 SER N N 101 117.265 117.265 119.231 -1.966 19774 1970 1 7 . 1 1 101 101 SER HA H 101 4.408 4.408 4.105 0.303 19774 1971 1 7 . 1 1 101 101 SER C C 101 175.147 175.147 176.587 -1.440 19774 1972 1 7 . 1 1 101 101 SER CA C 101 59.187 59.187 62.373 -3.187 19774 1973 1 7 . 1 1 101 101 SER CB C 101 63.672 63.672 63.299 0.373 19774 1974 1 7 . 1 1 101 101 SER H H 101 8.548 8.548 8.680 -0.132 19774 1975 1 7 . 1 1 102 102 GLN N N 102 122.686 122.686 119.477 3.209 19774 1976 1 7 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.088 0.204 19774 1977 1 7 . 1 1 102 102 GLN C C 102 177.127 177.127 178.448 -1.321 19774 1978 1 7 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.153 -1.768 19774 1979 1 7 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.951 -0.152 19774 1980 1 7 . 1 1 102 102 GLN H H 102 8.596 8.596 8.554 0.042 19774 1981 1 7 . 1 1 103 103 GLU N N 103 121.071 121.071 119.192 1.879 19774 1982 1 7 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.024 0.152 19774 1983 1 7 . 1 1 103 103 GLU C C 103 178.080 178.080 178.913 -0.833 19774 1984 1 7 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.252 -0.951 19774 1985 1 7 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.167 0.534 19774 1986 1 7 . 1 1 103 103 GLU H H 103 8.502 8.502 8.087 0.415 19774 1987 1 7 . 1 1 104 104 GLU N N 104 121.073 121.073 120.385 0.688 19774 1988 1 7 . 1 1 104 104 GLU C C 104 178.186 178.186 178.915 -0.729 19774 1989 1 7 . 1 1 104 104 GLU H H 104 8.389 8.389 8.642 -0.253 19774 1990 1 7 . 1 1 105 105 GLU N N 105 121.561 121.561 119.058 2.503 19774 1991 1 7 . 1 1 105 105 GLU C C 105 178.380 178.380 179.196 -0.816 19774 1992 1 7 . 1 1 105 105 GLU H H 105 8.454 8.454 7.987 0.467 19774 1993 1 7 . 1 1 106 106 GLU N N 106 120.852 120.852 118.787 2.065 19774 1994 1 7 . 1 1 106 106 GLU C C 106 178.758 178.758 179.252 -0.494 19774 1995 1 7 . 1 1 106 106 GLU H H 106 8.473 8.473 7.668 0.805 19774 1996 1 7 . 1 1 107 107 GLU N N 107 120.445 120.445 119.834 0.611 19774 1997 1 7 . 1 1 107 107 GLU C C 107 178.661 178.661 179.073 -0.412 19774 1998 1 7 . 1 1 107 107 GLU H H 107 8.396 8.396 8.048 0.348 19774 1999 1 7 . 1 1 108 108 GLU N N 108 121.089 121.089 120.232 0.857 19774 2000 1 7 . 1 1 108 108 GLU C C 108 178.454 178.454 179.013 -0.559 19774 2001 1 7 . 1 1 108 108 GLU H H 108 8.139 8.139 7.774 0.365 19774 2002 1 7 . 1 1 109 109 LEU N N 109 120.552 120.552 119.763 0.789 19774 2003 1 7 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.152 -0.039 19774 2004 1 7 . 1 1 109 109 LEU C C 109 180.104 180.104 179.362 0.742 19774 2005 1 7 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.564 0.346 19774 2006 1 7 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.149 0.542 19774 2007 1 7 . 1 1 109 109 LEU H H 109 8.097 8.097 7.701 0.396 19774 2008 1 7 . 1 1 110 110 LEU N N 110 121.275 121.275 120.935 0.340 19774 2009 1 7 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.965 0.274 19774 2010 1 7 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.113 -0.618 19774 2011 1 7 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.711 -0.055 19774 2012 1 7 . 1 1 110 110 LEU H H 110 7.964 7.964 8.265 -0.301 19774 2013 1 7 . 1 1 112 112 LYS N N 112 120.602 120.602 120.496 0.106 19774 2014 1 7 . 1 1 112 112 LYS C C 112 177.904 177.904 178.623 -0.719 19774 2015 1 7 . 1 1 112 112 LYS H H 112 8.279 8.279 8.052 0.227 19774 2016 1 7 . 1 1 113 113 ALA N N 113 122.972 122.972 122.343 0.629 19774 2017 1 7 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.302 -0.020 19774 2018 1 7 . 1 1 113 113 ALA C C 113 180.557 180.557 180.012 0.545 19774 2019 1 7 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.895 -0.419 19774 2020 1 7 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.400 -0.134 19774 2021 1 7 . 1 1 113 113 ALA H H 113 7.992 7.992 7.928 0.064 19774 2022 1 7 . 1 1 114 114 ILE N N 114 120.299 120.299 118.757 1.542 19774 2023 1 7 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.719 0.130 19774 2024 1 7 . 1 1 114 114 ILE C C 114 178.314 178.314 178.132 0.182 19774 2025 1 7 . 1 1 114 114 ILE CA C 114 63.783 63.783 63.807 -0.024 19774 2026 1 7 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.953 1.378 19774 2027 1 7 . 1 1 114 114 ILE H H 114 8.231 8.231 7.658 0.573 19774 2028 1 7 . 1 1 115 115 ALA N N 115 124.227 124.227 122.618 1.609 19774 2029 1 7 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.960 0.248 19774 2030 1 7 . 1 1 115 115 ALA C C 115 179.824 179.824 179.497 0.327 19774 2031 1 7 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.413 -0.855 19774 2032 1 7 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.233 0.048 19774 2033 1 7 . 1 1 115 115 ALA H H 115 8.087 8.087 8.353 -0.266 19774 2034 1 7 . 1 1 116 116 GLU N N 116 118.344 118.344 118.808 -0.464 19774 2035 1 7 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.920 0.288 19774 2036 1 7 . 1 1 116 116 GLU C C 116 178.142 178.142 179.297 -1.155 19774 2037 1 7 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.313 -1.325 19774 2038 1 7 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.551 0.102 19774 2039 1 7 . 1 1 116 116 GLU H H 116 8.322 8.322 8.357 -0.035 19774 2040 1 7 . 1 1 117 117 SER N N 117 115.778 115.778 116.178 -0.400 19774 2041 1 7 . 1 1 117 117 SER HA H 117 4.380 4.380 4.223 0.157 19774 2042 1 7 . 1 1 117 117 SER C C 117 175.595 175.595 177.098 -1.503 19774 2043 1 7 . 1 1 117 117 SER CA C 117 59.926 59.926 61.864 -1.938 19774 2044 1 7 . 1 1 117 117 SER CB C 117 63.351 63.351 63.310 0.041 19774 2045 1 7 . 1 1 117 117 SER H H 117 8.050 8.050 7.911 0.139 19774 2046 1 7 . 1 1 118 118 LEU N N 118 122.792 122.792 123.139 -0.347 19774 2047 1 7 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.083 0.199 19774 2048 1 7 . 1 1 118 118 LEU C C 118 177.998 177.998 179.150 -1.152 19774 2049 1 7 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.452 -1.311 19774 2050 1 7 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.739 0.335 19774 2051 1 7 . 1 1 118 118 LEU H H 118 7.984 7.984 8.040 -0.056 19774 2052 1 7 . 1 1 119 119 ASN N N 119 118.030 118.030 117.232 0.798 19774 2053 1 7 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.569 0.134 19774 2054 1 7 . 1 1 119 119 ASN C C 119 175.640 175.640 176.449 -0.809 19774 2055 1 7 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.129 -1.368 19774 2056 1 7 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.196 0.627 19774 2057 1 7 . 1 1 119 119 ASN H H 119 8.199 8.199 8.244 -0.045 19774 2058 1 7 . 1 1 120 120 SER N N 120 115.677 115.677 112.438 3.239 19774 2059 1 7 . 1 1 120 120 SER HA H 120 4.473 4.473 4.459 0.014 19774 2060 1 7 . 1 1 120 120 SER CA C 120 58.803 58.803 58.795 0.008 19774 2061 1 7 . 1 1 120 120 SER CB C 120 63.708 63.708 63.146 0.562 19774 2062 1 7 . 1 1 120 120 SER H H 120 8.200 8.200 7.766 0.434 19774 2063 1 7 . 1 1 123 123 PRO C C 123 177.186 177.186 175.871 1.315 19774 2064 1 7 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.972 0.386 19774 2065 1 7 . 1 1 123 123 PRO CB C 123 32.163 32.163 31.968 0.195 19774 2066 1 7 . 1 1 124 124 SER N N 124 116.200 116.200 117.749 -1.549 19774 2067 1 7 . 1 1 124 124 SER HA H 124 4.990 4.990 4.320 0.670 19774 2068 1 7 . 1 1 124 124 SER C C 124 174.548 174.548 174.440 0.108 19774 2069 1 7 . 1 1 124 124 SER CA C 124 58.600 58.600 58.277 0.323 19774 2070 1 7 . 1 1 124 124 SER CB C 124 63.727 63.727 64.088 -0.361 19774 2071 1 7 . 1 1 124 124 SER H H 124 8.596 8.596 8.136 0.460 19774 2072 1 7 . 1 1 125 125 ASP N N 125 122.649 122.649 121.884 0.765 19774 2073 1 7 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.591 0.017 19774 2074 1 7 . 1 1 125 125 ASP C C 125 176.378 176.378 177.497 -1.119 19774 2075 1 7 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.359 -0.112 19774 2076 1 7 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.976 -0.896 19774 2077 1 7 . 1 1 125 125 ASP H H 125 8.427 8.427 8.468 -0.041 19774 2078 1 7 . 1 1 126 126 ALA N N 126 124.975 124.975 128.550 -3.575 19774 2079 1 7 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.066 0.237 19774 2080 1 7 . 1 1 126 126 ALA C C 126 178.138 178.138 178.189 -0.051 19774 2081 1 7 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.333 -1.266 19774 2082 1 7 . 1 1 126 126 ALA CB C 126 18.919 18.919 19.003 -0.084 19774 2083 1 7 . 1 1 126 126 ALA H H 126 8.401 8.401 8.602 -0.201 19774 2084 1 7 . 1 1 127 127 SER N N 127 114.892 114.892 113.618 1.274 19774 2085 1 7 . 1 1 127 127 SER HA H 127 4.380 4.380 4.297 0.083 19774 2086 1 7 . 1 1 127 127 SER C C 127 174.582 174.582 175.452 -0.870 19774 2087 1 7 . 1 1 127 127 SER CA C 127 58.826 58.826 59.132 -0.306 19774 2088 1 7 . 1 1 127 127 SER CB C 127 63.662 63.662 63.795 -0.134 19774 2089 1 7 . 1 1 127 127 SER H H 127 8.403 8.403 8.276 0.127 19774 2090 1 7 . 1 1 128 128 ALA N N 128 125.815 125.815 121.998 3.817 19774 2091 1 7 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.025 0.364 19774 2092 1 7 . 1 1 128 128 ALA C C 128 177.957 177.957 177.184 0.773 19774 2093 1 7 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.958 -1.246 19774 2094 1 7 . 1 1 128 128 ALA CB C 128 19.244 19.244 16.936 2.308 19774 2095 1 7 . 1 1 128 128 ALA H H 128 8.266 8.266 7.871 0.395 19774 2096 1 7 . 1 1 129 129 THR N N 129 113.766 113.766 113.631 0.135 19774 2097 1 7 . 1 1 129 129 THR HA H 129 4.310 4.310 4.354 -0.044 19774 2098 1 7 . 1 1 129 129 THR C C 129 174.414 174.414 174.496 -0.082 19774 2099 1 7 . 1 1 129 129 THR CA C 129 62.010 62.010 61.546 0.464 19774 2100 1 7 . 1 1 129 129 THR CB C 129 69.748 69.748 70.006 -0.258 19774 2101 1 7 . 1 1 129 129 THR H H 129 8.200 8.200 8.037 0.163 19774 2102 1 7 . 1 1 130 130 ARG N N 130 124.611 124.611 123.630 0.981 19774 2103 1 7 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.449 0.001 19774 2104 1 7 . 1 1 130 130 ARG C C 130 175.443 175.443 175.552 -0.109 19774 2105 1 7 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.501 -0.522 19774 2106 1 7 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.525 -0.622 19774 2107 1 7 . 1 1 130 130 ARG H H 130 8.457 8.457 8.538 -0.081 19774 2108 1 8 . 1 1 -2 -2 LEU N N -2 122.796 122.796 121.338 1.458 19774 2109 1 8 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 3.850 0.495 19774 2110 1 8 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.362 0.792 19774 2111 1 8 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.303 0.289 19774 2112 1 8 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 40.962 1.266 19774 2113 1 8 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.293 0.411 19774 2114 1 8 . 1 1 -1 -1 GLY N N -1 110.002 110.002 106.109 3.893 19774 2115 1 8 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.234 0.234 19774 2116 1 8 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.972 0.351 19774 2117 1 8 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.429 0.119 19774 2118 1 8 . 1 1 75 75 LYS N N 75 123.250 123.250 124.940 -1.690 19774 2119 1 8 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.230 0.073 19774 2120 1 8 . 1 1 75 75 LYS C C 75 176.826 176.826 175.366 1.460 19774 2121 1 8 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.439 -0.058 19774 2122 1 8 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.058 -0.184 19774 2123 1 8 . 1 1 75 75 LYS H H 75 8.447 8.447 8.339 0.108 19774 2124 1 8 . 1 1 76 76 ILE N N 76 123.138 123.138 121.971 1.167 19774 2125 1 8 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.210 -0.118 19774 2126 1 8 . 1 1 76 76 ILE C C 76 176.311 176.311 176.618 -0.307 19774 2127 1 8 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.098 1.490 19774 2128 1 8 . 1 1 76 76 ILE CB C 76 38.569 38.569 36.983 1.586 19774 2129 1 8 . 1 1 76 76 ILE H H 76 8.315 8.315 8.210 0.105 19774 2130 1 8 . 1 1 77 77 ALA N N 77 127.035 127.035 130.123 -3.088 19774 2131 1 8 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.258 0.000 19774 2132 1 8 . 1 1 77 77 ALA C C 77 177.642 177.642 177.237 0.405 19774 2133 1 8 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.788 1.047 19774 2134 1 8 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.426 -0.326 19774 2135 1 8 . 1 1 77 77 ALA H H 77 8.446 8.446 8.063 0.383 19774 2136 1 8 . 1 1 78 78 GLN N N 78 119.150 119.150 119.228 -0.078 19774 2137 1 8 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.109 0.204 19774 2138 1 8 . 1 1 78 78 GLN C C 78 176.025 176.025 175.241 0.784 19774 2139 1 8 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.341 -0.620 19774 2140 1 8 . 1 1 78 78 GLN CB C 78 29.531 29.531 28.938 0.593 19774 2141 1 8 . 1 1 78 78 GLN H H 78 8.323 8.323 8.354 -0.031 19774 2142 1 8 . 1 1 79 79 MET N N 79 122.456 122.456 122.949 -0.493 19774 2143 1 8 . 1 1 79 79 MET HA H 79 4.619 4.619 4.569 0.050 19774 2144 1 8 . 1 1 79 79 MET C C 79 177.080 177.080 176.777 0.303 19774 2145 1 8 . 1 1 79 79 MET CA C 79 56.021 56.021 54.922 1.099 19774 2146 1 8 . 1 1 79 79 MET CB C 79 34.723 34.723 33.219 1.504 19774 2147 1 8 . 1 1 79 79 MET H H 79 8.410 8.410 8.249 0.161 19774 2148 1 8 . 1 1 80 80 THR N N 80 115.145 115.145 114.715 0.430 19774 2149 1 8 . 1 1 80 80 THR HA H 80 4.390 4.390 4.387 0.003 19774 2150 1 8 . 1 1 80 80 THR C C 80 175.463 175.463 175.501 -0.038 19774 2151 1 8 . 1 1 80 80 THR CA C 80 61.546 61.546 60.613 0.933 19774 2152 1 8 . 1 1 80 80 THR CB C 80 70.845 70.845 70.460 0.385 19774 2153 1 8 . 1 1 80 80 THR H H 80 8.915 8.915 8.054 0.861 19774 2154 1 8 . 1 1 81 81 GLU N N 81 122.254 122.254 122.228 0.026 19774 2155 1 8 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.176 -0.169 19774 2156 1 8 . 1 1 81 81 GLU C C 81 178.734 178.734 179.059 -0.325 19774 2157 1 8 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.881 -0.083 19774 2158 1 8 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.274 0.120 19774 2159 1 8 . 1 1 81 81 GLU H H 81 9.076 9.076 8.905 0.171 19774 2160 1 8 . 1 1 82 82 GLU N N 82 119.436 119.436 118.216 1.220 19774 2161 1 8 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.131 -0.008 19774 2162 1 8 . 1 1 82 82 GLU C C 82 179.545 179.545 179.005 0.540 19774 2163 1 8 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.510 0.315 19774 2164 1 8 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.220 0.049 19774 2165 1 8 . 1 1 82 82 GLU H H 82 8.839 8.839 8.633 0.206 19774 2166 1 8 . 1 1 83 83 GLU N N 83 121.597 121.597 120.066 1.531 19774 2167 1 8 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.067 0.035 19774 2168 1 8 . 1 1 83 83 GLU C C 83 179.440 179.440 179.175 0.265 19774 2169 1 8 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.133 -0.230 19774 2170 1 8 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.423 0.604 19774 2171 1 8 . 1 1 83 83 GLU H H 83 8.029 8.029 7.686 0.343 19774 2172 1 8 . 1 1 84 84 GLN N N 84 120.565 120.565 119.099 1.466 19774 2173 1 8 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.056 -0.027 19774 2174 1 8 . 1 1 84 84 GLN C C 84 178.689 178.689 178.633 0.056 19774 2175 1 8 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.719 0.299 19774 2176 1 8 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.772 -0.159 19774 2177 1 8 . 1 1 84 84 GLN H H 84 8.575 8.575 7.924 0.651 19774 2178 1 8 . 1 1 85 85 PHE N N 85 121.525 121.525 121.108 0.417 19774 2179 1 8 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.088 0.141 19774 2180 1 8 . 1 1 85 85 PHE C C 85 177.713 177.713 176.797 0.916 19774 2181 1 8 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.026 -0.703 19774 2182 1 8 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.970 -0.250 19774 2183 1 8 . 1 1 85 85 PHE H H 85 8.483 8.483 8.246 0.237 19774 2184 1 8 . 1 1 86 86 ALA N N 86 121.849 121.849 121.866 -0.017 19774 2185 1 8 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.850 0.294 19774 2186 1 8 . 1 1 86 86 ALA C C 86 180.283 180.283 179.218 1.065 19774 2187 1 8 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.957 -0.262 19774 2188 1 8 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.073 0.139 19774 2189 1 8 . 1 1 86 86 ALA H H 86 8.072 8.072 8.183 -0.111 19774 2190 1 8 . 1 1 87 87 LEU N N 87 120.459 120.459 120.195 0.264 19774 2191 1 8 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.927 0.291 19774 2192 1 8 . 1 1 87 87 LEU C C 87 178.387 178.387 178.219 0.168 19774 2193 1 8 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.633 -0.376 19774 2194 1 8 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.541 0.334 19774 2195 1 8 . 1 1 87 87 LEU H H 87 8.010 8.010 7.780 0.230 19774 2196 1 8 . 1 1 88 88 ALA N N 88 122.123 122.123 121.615 0.508 19774 2197 1 8 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.928 0.206 19774 2198 1 8 . 1 1 88 88 ALA C C 88 180.241 180.241 179.655 0.586 19774 2199 1 8 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.011 -0.520 19774 2200 1 8 . 1 1 88 88 ALA CB C 88 17.859 17.859 17.999 -0.140 19774 2201 1 8 . 1 1 88 88 ALA H H 88 7.981 7.981 7.751 0.230 19774 2202 1 8 . 1 1 89 89 LEU N N 89 119.923 119.923 118.772 1.151 19774 2203 1 8 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.743 0.391 19774 2204 1 8 . 1 1 89 89 LEU C C 89 178.981 178.981 178.834 0.147 19774 2205 1 8 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.444 -0.439 19774 2206 1 8 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.314 0.631 19774 2207 1 8 . 1 1 89 89 LEU H H 89 7.897 7.897 7.412 0.485 19774 2208 1 8 . 1 1 90 90 LYS N N 90 120.679 120.679 119.966 0.713 19774 2209 1 8 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.981 0.195 19774 2210 1 8 . 1 1 90 90 LYS C C 90 178.799 178.799 178.964 -0.165 19774 2211 1 8 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.244 -1.045 19774 2212 1 8 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.456 -0.014 19774 2213 1 8 . 1 1 90 90 LYS H H 90 7.913 7.913 7.650 0.263 19774 2214 1 8 . 1 1 91 91 MET N N 91 118.958 118.958 118.352 0.606 19774 2215 1 8 . 1 1 91 91 MET HA H 91 4.366 4.366 4.164 0.202 19774 2216 1 8 . 1 1 91 91 MET C C 91 177.925 177.925 178.704 -0.779 19774 2217 1 8 . 1 1 91 91 MET CA C 91 57.121 57.121 57.688 -0.567 19774 2218 1 8 . 1 1 91 91 MET CB C 91 32.242 32.242 31.614 0.628 19774 2219 1 8 . 1 1 91 91 MET H H 91 8.392 8.392 7.893 0.499 19774 2220 1 8 . 1 1 92 92 SER N N 92 116.458 116.458 116.013 0.445 19774 2221 1 8 . 1 1 92 92 SER HA H 92 4.376 4.376 4.318 0.058 19774 2222 1 8 . 1 1 92 92 SER C C 92 175.910 175.910 176.905 -0.995 19774 2223 1 8 . 1 1 92 92 SER CA C 92 60.139 60.139 61.759 -1.620 19774 2224 1 8 . 1 1 92 92 SER CB C 92 63.292 63.292 62.876 0.416 19774 2225 1 8 . 1 1 92 92 SER H H 92 8.268 8.268 7.902 0.366 19774 2226 1 8 . 1 1 93 93 GLU N N 93 122.379 122.379 121.789 0.590 19774 2227 1 8 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.976 0.232 19774 2228 1 8 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.468 -1.474 19774 2229 1 8 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.439 0.347 19774 2230 1 8 . 1 1 93 93 GLU H H 93 8.255 8.255 7.664 0.591 19774 2231 1 8 . 1 1 94 94 GLN C C 94 177.043 177.043 178.798 -1.755 19774 2232 1 8 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.628 -1.519 19774 2233 1 8 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.275 0.696 19774 2234 1 8 . 1 1 95 95 GLU N N 95 121.162 121.162 119.442 1.720 19774 2235 1 8 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.033 0.133 19774 2236 1 8 . 1 1 95 95 GLU C C 95 177.150 177.150 178.238 -1.088 19774 2237 1 8 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.864 -1.285 19774 2238 1 8 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.363 0.619 19774 2239 1 8 . 1 1 95 95 GLU H H 95 8.294 8.294 7.784 0.510 19774 2240 1 8 . 1 1 96 96 ALA N N 96 123.599 123.599 120.635 2.964 19774 2241 1 8 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.161 0.152 19774 2242 1 8 . 1 1 96 96 ALA C C 96 178.276 178.276 180.110 -1.834 19774 2243 1 8 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.486 -1.304 19774 2244 1 8 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.675 0.010 19774 2245 1 8 . 1 1 96 96 ALA H H 96 8.209 8.209 7.508 0.701 19774 2246 1 8 . 1 1 97 97 ARG N N 97 119.759 119.759 116.531 3.228 19774 2247 1 8 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.115 0.177 19774 2248 1 8 . 1 1 97 97 ARG C C 97 176.904 176.904 177.589 -0.685 19774 2249 1 8 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.753 -1.051 19774 2250 1 8 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.587 1.282 19774 2251 1 8 . 1 1 97 97 ARG H H 97 8.123 8.123 8.015 0.108 19774 2252 1 8 . 1 1 98 98 GLU N N 98 121.995 121.995 116.682 5.313 19774 2253 1 8 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.229 0.031 19774 2254 1 8 . 1 1 98 98 GLU C C 98 176.939 176.939 176.866 0.073 19774 2255 1 8 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.779 0.171 19774 2256 1 8 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.870 0.181 19774 2257 1 8 . 1 1 98 98 GLU H H 98 8.382 8.382 7.579 0.803 19774 2258 1 8 . 1 1 99 99 VAL N N 99 121.412 121.412 121.368 0.044 19774 2259 1 8 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.944 0.127 19774 2260 1 8 . 1 1 99 99 VAL C C 99 176.276 176.276 175.258 1.018 19774 2261 1 8 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.641 0.295 19774 2262 1 8 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.214 0.536 19774 2263 1 8 . 1 1 99 99 VAL H H 99 8.269 8.269 7.308 0.962 19774 2264 1 8 . 1 1 100 100 ASN N N 100 122.455 122.455 126.544 -4.089 19774 2265 1 8 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.808 0.011 19774 2266 1 8 . 1 1 100 100 ASN C C 100 175.671 175.671 175.968 -0.297 19774 2267 1 8 . 1 1 100 100 ASN CA C 100 53.425 53.425 52.724 0.701 19774 2268 1 8 . 1 1 100 100 ASN CB C 100 39.040 39.040 38.929 0.111 19774 2269 1 8 . 1 1 100 100 ASN H H 100 8.642 8.642 8.683 -0.041 19774 2270 1 8 . 1 1 101 101 SER N N 101 117.265 117.265 121.042 -3.777 19774 2271 1 8 . 1 1 101 101 SER HA H 101 4.408 4.408 4.551 -0.143 19774 2272 1 8 . 1 1 101 101 SER C C 101 175.147 175.147 175.925 -0.778 19774 2273 1 8 . 1 1 101 101 SER CA C 101 59.187 59.187 61.326 -2.139 19774 2274 1 8 . 1 1 101 101 SER CB C 101 63.672 63.672 63.538 0.134 19774 2275 1 8 . 1 1 101 101 SER H H 101 8.548 8.548 8.945 -0.397 19774 2276 1 8 . 1 1 102 102 GLN N N 102 122.686 122.686 120.475 2.211 19774 2277 1 8 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.153 0.139 19774 2278 1 8 . 1 1 102 102 GLN C C 102 177.127 177.127 178.371 -1.244 19774 2279 1 8 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.980 -1.595 19774 2280 1 8 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.468 0.331 19774 2281 1 8 . 1 1 102 102 GLN H H 102 8.596 8.596 8.584 0.012 19774 2282 1 8 . 1 1 103 103 GLU N N 103 121.071 121.071 120.117 0.954 19774 2283 1 8 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.044 0.132 19774 2284 1 8 . 1 1 103 103 GLU C C 103 178.080 178.080 178.651 -0.571 19774 2285 1 8 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.613 -1.312 19774 2286 1 8 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.165 0.536 19774 2287 1 8 . 1 1 103 103 GLU H H 103 8.502 8.502 8.731 -0.229 19774 2288 1 8 . 1 1 104 104 GLU N N 104 121.073 121.073 118.180 2.893 19774 2289 1 8 . 1 1 104 104 GLU C C 104 178.186 178.186 178.790 -0.604 19774 2290 1 8 . 1 1 104 104 GLU H H 104 8.389 8.389 7.666 0.723 19774 2291 1 8 . 1 1 105 105 GLU N N 105 121.561 121.561 122.143 -0.582 19774 2292 1 8 . 1 1 105 105 GLU C C 105 178.380 178.380 178.857 -0.477 19774 2293 1 8 . 1 1 105 105 GLU H H 105 8.454 8.454 7.993 0.461 19774 2294 1 8 . 1 1 106 106 GLU N N 106 120.852 120.852 119.094 1.758 19774 2295 1 8 . 1 1 106 106 GLU C C 106 178.758 178.758 179.096 -0.338 19774 2296 1 8 . 1 1 106 106 GLU H H 106 8.473 8.473 8.511 -0.038 19774 2297 1 8 . 1 1 107 107 GLU N N 107 120.445 120.445 119.577 0.868 19774 2298 1 8 . 1 1 107 107 GLU C C 107 178.661 178.661 179.158 -0.497 19774 2299 1 8 . 1 1 107 107 GLU H H 107 8.396 8.396 7.792 0.604 19774 2300 1 8 . 1 1 108 108 GLU N N 108 121.089 121.089 120.281 0.808 19774 2301 1 8 . 1 1 108 108 GLU C C 108 178.454 178.454 179.324 -0.870 19774 2302 1 8 . 1 1 108 108 GLU H H 108 8.139 8.139 7.777 0.362 19774 2303 1 8 . 1 1 109 109 LEU N N 109 120.552 120.552 120.775 -0.223 19774 2304 1 8 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.111 0.002 19774 2305 1 8 . 1 1 109 109 LEU C C 109 180.104 180.104 179.170 0.934 19774 2306 1 8 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.795 0.115 19774 2307 1 8 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.277 0.414 19774 2308 1 8 . 1 1 109 109 LEU H H 109 8.097 8.097 7.862 0.235 19774 2309 1 8 . 1 1 110 110 LEU N N 110 121.275 121.275 119.953 1.322 19774 2310 1 8 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.987 0.252 19774 2311 1 8 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.988 -0.493 19774 2312 1 8 . 1 1 110 110 LEU CB C 110 41.656 41.656 40.842 0.814 19774 2313 1 8 . 1 1 110 110 LEU H H 110 7.964 7.964 8.413 -0.449 19774 2314 1 8 . 1 1 112 112 LYS N N 112 120.602 120.602 119.583 1.019 19774 2315 1 8 . 1 1 112 112 LYS C C 112 177.904 177.904 178.619 -0.715 19774 2316 1 8 . 1 1 112 112 LYS H H 112 8.279 8.279 7.691 0.589 19774 2317 1 8 . 1 1 113 113 ALA N N 113 122.972 122.972 121.883 1.089 19774 2318 1 8 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.290 -0.008 19774 2319 1 8 . 1 1 113 113 ALA C C 113 180.557 180.557 179.966 0.591 19774 2320 1 8 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.849 -0.373 19774 2321 1 8 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.351 -0.085 19774 2322 1 8 . 1 1 113 113 ALA H H 113 7.992 7.992 7.590 0.402 19774 2323 1 8 . 1 1 114 114 ILE N N 114 120.299 120.299 118.755 1.544 19774 2324 1 8 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.600 0.249 19774 2325 1 8 . 1 1 114 114 ILE C C 114 178.314 178.314 177.808 0.506 19774 2326 1 8 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.103 -1.320 19774 2327 1 8 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.790 0.541 19774 2328 1 8 . 1 1 114 114 ILE H H 114 8.231 8.231 7.743 0.488 19774 2329 1 8 . 1 1 115 115 ALA N N 115 124.227 124.227 121.910 2.317 19774 2330 1 8 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.944 0.264 19774 2331 1 8 . 1 1 115 115 ALA C C 115 179.824 179.824 179.640 0.184 19774 2332 1 8 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.350 -0.793 19774 2333 1 8 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.938 0.343 19774 2334 1 8 . 1 1 115 115 ALA H H 115 8.087 8.087 7.938 0.149 19774 2335 1 8 . 1 1 116 116 GLU N N 116 118.344 118.344 118.466 -0.122 19774 2336 1 8 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.929 0.279 19774 2337 1 8 . 1 1 116 116 GLU C C 116 178.142 178.142 179.106 -0.964 19774 2338 1 8 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.328 -1.339 19774 2339 1 8 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.351 0.302 19774 2340 1 8 . 1 1 116 116 GLU H H 116 8.322 8.322 8.138 0.184 19774 2341 1 8 . 1 1 117 117 SER N N 117 115.778 115.778 115.591 0.187 19774 2342 1 8 . 1 1 117 117 SER HA H 117 4.380 4.380 4.224 0.156 19774 2343 1 8 . 1 1 117 117 SER C C 117 175.595 175.595 176.502 -0.907 19774 2344 1 8 . 1 1 117 117 SER CA C 117 59.926 59.926 61.433 -1.507 19774 2345 1 8 . 1 1 117 117 SER CB C 117 63.351 63.351 62.868 0.483 19774 2346 1 8 . 1 1 117 117 SER H H 117 8.050 8.050 7.597 0.453 19774 2347 1 8 . 1 1 118 118 LEU N N 118 122.792 122.792 121.590 1.202 19774 2348 1 8 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.158 0.124 19774 2349 1 8 . 1 1 118 118 LEU C C 118 177.998 177.998 178.968 -0.970 19774 2350 1 8 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.044 -0.903 19774 2351 1 8 . 1 1 118 118 LEU CB C 118 42.074 42.074 40.998 1.076 19774 2352 1 8 . 1 1 118 118 LEU H H 118 7.984 7.984 7.755 0.229 19774 2353 1 8 . 1 1 119 119 ASN N N 119 118.030 118.030 118.001 0.029 19774 2354 1 8 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.579 0.124 19774 2355 1 8 . 1 1 119 119 ASN C C 119 175.640 175.640 177.147 -1.507 19774 2356 1 8 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.215 -1.454 19774 2357 1 8 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.838 -0.015 19774 2358 1 8 . 1 1 119 119 ASN H H 119 8.199 8.199 8.220 -0.021 19774 2359 1 8 . 1 1 120 120 SER N N 120 115.677 115.677 114.780 0.897 19774 2360 1 8 . 1 1 120 120 SER HA H 120 4.473 4.473 4.363 0.110 19774 2361 1 8 . 1 1 120 120 SER CA C 120 58.803 58.803 58.672 0.131 19774 2362 1 8 . 1 1 120 120 SER CB C 120 63.708 63.708 63.815 -0.107 19774 2363 1 8 . 1 1 120 120 SER H H 120 8.200 8.200 7.887 0.313 19774 2364 1 8 . 1 1 123 123 PRO C C 123 177.186 177.186 176.878 0.308 19774 2365 1 8 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.733 0.625 19774 2366 1 8 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.149 0.014 19774 2367 1 8 . 1 1 124 124 SER N N 124 116.200 116.200 117.131 -0.931 19774 2368 1 8 . 1 1 124 124 SER HA H 124 4.990 4.990 4.452 0.538 19774 2369 1 8 . 1 1 124 124 SER C C 124 174.548 174.548 174.233 0.315 19774 2370 1 8 . 1 1 124 124 SER CA C 124 58.600 58.600 58.131 0.469 19774 2371 1 8 . 1 1 124 124 SER CB C 124 63.727 63.727 64.063 -0.336 19774 2372 1 8 . 1 1 124 124 SER H H 124 8.596 8.596 8.199 0.397 19774 2373 1 8 . 1 1 125 125 ASP N N 125 122.649 122.649 122.488 0.161 19774 2374 1 8 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.651 -0.043 19774 2375 1 8 . 1 1 125 125 ASP C C 125 176.378 176.378 176.044 0.334 19774 2376 1 8 . 1 1 125 125 ASP CA C 125 54.247 54.247 53.593 0.654 19774 2377 1 8 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.245 -0.165 19774 2378 1 8 . 1 1 125 125 ASP H H 125 8.427 8.427 8.306 0.121 19774 2379 1 8 . 1 1 126 126 ALA N N 126 124.975 124.975 126.404 -1.429 19774 2380 1 8 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.076 0.227 19774 2381 1 8 . 1 1 126 126 ALA C C 126 178.138 178.138 178.283 -0.145 19774 2382 1 8 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.256 -1.189 19774 2383 1 8 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.742 0.177 19774 2384 1 8 . 1 1 126 126 ALA H H 126 8.401 8.401 8.604 -0.203 19774 2385 1 8 . 1 1 127 127 SER N N 127 114.892 114.892 114.550 0.342 19774 2386 1 8 . 1 1 127 127 SER HA H 127 4.380 4.380 4.347 0.033 19774 2387 1 8 . 1 1 127 127 SER C C 127 174.582 174.582 174.950 -0.368 19774 2388 1 8 . 1 1 127 127 SER CA C 127 58.826 58.826 58.612 0.214 19774 2389 1 8 . 1 1 127 127 SER CB C 127 63.662 63.662 63.244 0.418 19774 2390 1 8 . 1 1 127 127 SER H H 127 8.403 8.403 7.950 0.453 19774 2391 1 8 . 1 1 128 128 ALA N N 128 125.815 125.815 118.986 6.829 19774 2392 1 8 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.255 0.134 19774 2393 1 8 . 1 1 128 128 ALA C C 128 177.957 177.957 176.376 1.581 19774 2394 1 8 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.162 -0.450 19774 2395 1 8 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.133 2.111 19774 2396 1 8 . 1 1 128 128 ALA H H 128 8.266 8.266 7.474 0.792 19774 2397 1 8 . 1 1 129 129 THR N N 129 113.766 113.766 109.508 4.258 19774 2398 1 8 . 1 1 129 129 THR HA H 129 4.310 4.310 4.314 -0.004 19774 2399 1 8 . 1 1 129 129 THR C C 129 174.414 174.414 174.067 0.347 19774 2400 1 8 . 1 1 129 129 THR CA C 129 62.010 62.010 60.747 1.263 19774 2401 1 8 . 1 1 129 129 THR CB C 129 69.748 69.748 69.719 0.029 19774 2402 1 8 . 1 1 129 129 THR H H 129 8.200 8.200 7.601 0.599 19774 2403 1 8 . 1 1 130 130 ARG N N 130 124.611 124.611 122.518 2.093 19774 2404 1 8 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.381 0.069 19774 2405 1 8 . 1 1 130 130 ARG C C 130 175.443 175.443 176.697 -1.254 19774 2406 1 8 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.587 0.393 19774 2407 1 8 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.617 0.286 19774 2408 1 8 . 1 1 130 130 ARG H H 130 8.457 8.457 8.421 0.036 19774 2409 1 9 . 1 1 -2 -2 LEU N N -2 122.796 122.796 123.142 -0.346 19774 2410 1 9 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.113 0.232 19774 2411 1 9 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.986 0.168 19774 2412 1 9 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.366 0.226 19774 2413 1 9 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.768 0.460 19774 2414 1 9 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.329 0.375 19774 2415 1 9 . 1 1 -1 -1 GLY N N -1 110.002 110.002 106.763 3.239 19774 2416 1 9 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.437 0.031 19774 2417 1 9 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.175 0.148 19774 2418 1 9 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.162 0.386 19774 2419 1 9 . 1 1 75 75 LYS N N 75 123.250 123.250 122.086 1.164 19774 2420 1 9 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.277 0.026 19774 2421 1 9 . 1 1 75 75 LYS C C 75 176.826 176.826 176.522 0.304 19774 2422 1 9 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.421 -0.040 19774 2423 1 9 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.960 -0.086 19774 2424 1 9 . 1 1 75 75 LYS H H 75 8.447 8.447 8.204 0.243 19774 2425 1 9 . 1 1 76 76 ILE N N 76 123.138 123.138 121.864 1.274 19774 2426 1 9 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.073 0.019 19774 2427 1 9 . 1 1 76 76 ILE C C 76 176.311 176.311 176.439 -0.128 19774 2428 1 9 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.362 0.226 19774 2429 1 9 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.027 0.542 19774 2430 1 9 . 1 1 76 76 ILE H H 76 8.315 8.315 8.354 -0.039 19774 2431 1 9 . 1 1 77 77 ALA N N 77 127.035 127.035 130.591 -3.556 19774 2432 1 9 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.398 -0.140 19774 2433 1 9 . 1 1 77 77 ALA C C 77 177.642 177.642 176.676 0.966 19774 2434 1 9 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.371 1.464 19774 2435 1 9 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.638 -0.538 19774 2436 1 9 . 1 1 77 77 ALA H H 77 8.446 8.446 8.085 0.361 19774 2437 1 9 . 1 1 78 78 GLN N N 78 119.150 119.150 120.589 -1.439 19774 2438 1 9 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.323 -0.010 19774 2439 1 9 . 1 1 78 78 GLN C C 78 176.025 176.025 175.908 0.117 19774 2440 1 9 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.903 -0.182 19774 2441 1 9 . 1 1 78 78 GLN CB C 78 29.531 29.531 28.967 0.564 19774 2442 1 9 . 1 1 78 78 GLN H H 78 8.323 8.323 8.351 -0.028 19774 2443 1 9 . 1 1 79 79 MET N N 79 122.456 122.456 121.620 0.836 19774 2444 1 9 . 1 1 79 79 MET HA H 79 4.619 4.619 4.775 -0.156 19774 2445 1 9 . 1 1 79 79 MET C C 79 177.080 177.080 176.734 0.346 19774 2446 1 9 . 1 1 79 79 MET CA C 79 56.021 56.021 54.175 1.845 19774 2447 1 9 . 1 1 79 79 MET CB C 79 34.723 34.723 32.923 1.800 19774 2448 1 9 . 1 1 79 79 MET H H 79 8.410 8.410 8.349 0.061 19774 2449 1 9 . 1 1 80 80 THR N N 80 115.145 115.145 114.531 0.614 19774 2450 1 9 . 1 1 80 80 THR HA H 80 4.390 4.390 4.579 -0.189 19774 2451 1 9 . 1 1 80 80 THR C C 80 175.463 175.463 175.509 -0.046 19774 2452 1 9 . 1 1 80 80 THR CA C 80 61.546 61.546 61.035 0.511 19774 2453 1 9 . 1 1 80 80 THR CB C 80 70.845 70.845 70.753 0.092 19774 2454 1 9 . 1 1 80 80 THR H H 80 8.915 8.915 8.732 0.183 19774 2455 1 9 . 1 1 81 81 GLU N N 81 122.254 122.254 121.734 0.520 19774 2456 1 9 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.970 0.037 19774 2457 1 9 . 1 1 81 81 GLU C C 81 178.734 178.734 179.087 -0.353 19774 2458 1 9 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.326 -0.528 19774 2459 1 9 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.360 0.034 19774 2460 1 9 . 1 1 81 81 GLU H H 81 9.076 9.076 8.978 0.098 19774 2461 1 9 . 1 1 82 82 GLU N N 82 119.436 119.436 119.042 0.394 19774 2462 1 9 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.101 0.022 19774 2463 1 9 . 1 1 82 82 GLU C C 82 179.545 179.545 179.100 0.445 19774 2464 1 9 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.516 0.309 19774 2465 1 9 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.280 -0.012 19774 2466 1 9 . 1 1 82 82 GLU H H 82 8.839 8.839 8.756 0.083 19774 2467 1 9 . 1 1 83 83 GLU N N 83 121.597 121.597 119.708 1.889 19774 2468 1 9 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.036 0.066 19774 2469 1 9 . 1 1 83 83 GLU C C 83 179.440 179.440 179.280 0.160 19774 2470 1 9 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.349 -0.446 19774 2471 1 9 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.476 0.551 19774 2472 1 9 . 1 1 83 83 GLU H H 83 8.029 8.029 7.771 0.258 19774 2473 1 9 . 1 1 84 84 GLN N N 84 120.565 120.565 119.109 1.456 19774 2474 1 9 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.059 -0.030 19774 2475 1 9 . 1 1 84 84 GLN C C 84 178.689 178.689 178.507 0.182 19774 2476 1 9 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.697 0.322 19774 2477 1 9 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.754 -0.141 19774 2478 1 9 . 1 1 84 84 GLN H H 84 8.575 8.575 7.843 0.732 19774 2479 1 9 . 1 1 85 85 PHE N N 85 121.525 121.525 120.709 0.816 19774 2480 1 9 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.077 0.152 19774 2481 1 9 . 1 1 85 85 PHE C C 85 177.713 177.713 176.629 1.084 19774 2482 1 9 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.118 -0.795 19774 2483 1 9 . 1 1 85 85 PHE CB C 85 38.720 38.720 39.028 -0.308 19774 2484 1 9 . 1 1 85 85 PHE H H 85 8.483 8.483 8.247 0.236 19774 2485 1 9 . 1 1 86 86 ALA N N 86 121.849 121.849 121.910 -0.061 19774 2486 1 9 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.916 0.228 19774 2487 1 9 . 1 1 86 86 ALA C C 86 180.283 180.283 179.209 1.074 19774 2488 1 9 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.999 -0.304 19774 2489 1 9 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.087 0.125 19774 2490 1 9 . 1 1 86 86 ALA H H 86 8.072 8.072 8.204 -0.132 19774 2491 1 9 . 1 1 87 87 LEU N N 87 120.459 120.459 120.036 0.423 19774 2492 1 9 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.945 0.273 19774 2493 1 9 . 1 1 87 87 LEU C C 87 178.387 178.387 178.381 0.006 19774 2494 1 9 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.420 -0.163 19774 2495 1 9 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.401 0.474 19774 2496 1 9 . 1 1 87 87 LEU H H 87 8.010 8.010 7.856 0.154 19774 2497 1 9 . 1 1 88 88 ALA N N 88 122.123 122.123 121.842 0.281 19774 2498 1 9 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.962 0.172 19774 2499 1 9 . 1 1 88 88 ALA C C 88 180.241 180.241 179.509 0.732 19774 2500 1 9 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.780 -0.288 19774 2501 1 9 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.095 -0.236 19774 2502 1 9 . 1 1 88 88 ALA H H 88 7.981 7.981 7.598 0.383 19774 2503 1 9 . 1 1 89 89 LEU N N 89 119.923 119.923 118.960 0.963 19774 2504 1 9 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.946 0.188 19774 2505 1 9 . 1 1 89 89 LEU C C 89 178.981 178.981 179.111 -0.130 19774 2506 1 9 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.407 -0.403 19774 2507 1 9 . 1 1 89 89 LEU CB C 89 41.945 41.945 40.535 1.410 19774 2508 1 9 . 1 1 89 89 LEU H H 89 7.897 7.897 7.493 0.404 19774 2509 1 9 . 1 1 90 90 LYS N N 90 120.679 120.679 120.323 0.356 19774 2510 1 9 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.020 0.156 19774 2511 1 9 . 1 1 90 90 LYS C C 90 178.799 178.799 179.209 -0.410 19774 2512 1 9 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.355 -1.157 19774 2513 1 9 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.417 0.026 19774 2514 1 9 . 1 1 90 90 LYS H H 90 7.913 7.913 7.821 0.092 19774 2515 1 9 . 1 1 91 91 MET N N 91 118.958 118.958 117.828 1.130 19774 2516 1 9 . 1 1 91 91 MET HA H 91 4.366 4.366 4.046 0.320 19774 2517 1 9 . 1 1 91 91 MET C C 91 177.925 177.925 178.387 -0.462 19774 2518 1 9 . 1 1 91 91 MET CA C 91 57.121 57.121 59.142 -2.021 19774 2519 1 9 . 1 1 91 91 MET CB C 91 32.242 32.242 32.596 -0.354 19774 2520 1 9 . 1 1 91 91 MET H H 91 8.392 8.392 8.348 0.044 19774 2521 1 9 . 1 1 92 92 SER N N 92 116.458 116.458 115.364 1.094 19774 2522 1 9 . 1 1 92 92 SER HA H 92 4.376 4.376 4.102 0.274 19774 2523 1 9 . 1 1 92 92 SER C C 92 175.910 175.910 176.829 -0.919 19774 2524 1 9 . 1 1 92 92 SER CA C 92 60.139 60.139 61.809 -1.669 19774 2525 1 9 . 1 1 92 92 SER CB C 92 63.292 63.292 62.513 0.779 19774 2526 1 9 . 1 1 92 92 SER H H 92 8.268 8.268 7.918 0.350 19774 2527 1 9 . 1 1 93 93 GLU N N 93 122.379 122.379 121.830 0.549 19774 2528 1 9 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.983 0.225 19774 2529 1 9 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.268 -1.275 19774 2530 1 9 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.374 0.412 19774 2531 1 9 . 1 1 93 93 GLU H H 93 8.255 8.255 7.706 0.549 19774 2532 1 9 . 1 1 94 94 GLN C C 94 177.043 177.043 178.762 -1.719 19774 2533 1 9 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.459 -1.350 19774 2534 1 9 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.178 0.793 19774 2535 1 9 . 1 1 95 95 GLU N N 95 121.162 121.162 119.072 2.090 19774 2536 1 9 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.360 -0.194 19774 2537 1 9 . 1 1 95 95 GLU C C 95 177.150 177.150 178.864 -1.714 19774 2538 1 9 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.774 -1.195 19774 2539 1 9 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.211 0.771 19774 2540 1 9 . 1 1 95 95 GLU H H 95 8.294 8.294 7.770 0.524 19774 2541 1 9 . 1 1 96 96 ALA N N 96 123.599 123.599 121.447 2.152 19774 2542 1 9 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.127 0.186 19774 2543 1 9 . 1 1 96 96 ALA C C 96 178.276 178.276 179.834 -1.558 19774 2544 1 9 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.681 -1.499 19774 2545 1 9 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.774 -0.089 19774 2546 1 9 . 1 1 96 96 ALA H H 96 8.209 8.209 7.744 0.465 19774 2547 1 9 . 1 1 97 97 ARG N N 97 119.759 119.759 116.419 3.340 19774 2548 1 9 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.104 0.188 19774 2549 1 9 . 1 1 97 97 ARG C C 97 176.904 176.904 177.731 -0.827 19774 2550 1 9 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.388 -1.686 19774 2551 1 9 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.268 0.602 19774 2552 1 9 . 1 1 97 97 ARG H H 97 8.123 8.123 7.711 0.412 19774 2553 1 9 . 1 1 98 98 GLU N N 98 121.995 121.995 116.960 5.035 19774 2554 1 9 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.211 0.049 19774 2555 1 9 . 1 1 98 98 GLU C C 98 176.939 176.939 176.645 0.294 19774 2556 1 9 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.630 0.320 19774 2557 1 9 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.463 0.588 19774 2558 1 9 . 1 1 98 98 GLU H H 98 8.382 8.382 7.551 0.831 19774 2559 1 9 . 1 1 99 99 VAL N N 99 121.412 121.412 119.997 1.415 19774 2560 1 9 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.889 0.182 19774 2561 1 9 . 1 1 99 99 VAL C C 99 176.276 176.276 175.387 0.889 19774 2562 1 9 . 1 1 99 99 VAL CA C 99 62.936 62.936 63.212 -0.276 19774 2563 1 9 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.103 0.647 19774 2564 1 9 . 1 1 99 99 VAL H H 99 8.269 8.269 7.083 1.186 19774 2565 1 9 . 1 1 100 100 ASN N N 100 122.455 122.455 126.355 -3.900 19774 2566 1 9 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.832 -0.013 19774 2567 1 9 . 1 1 100 100 ASN C C 100 175.671 175.671 176.060 -0.389 19774 2568 1 9 . 1 1 100 100 ASN CA C 100 53.425 53.425 52.939 0.486 19774 2569 1 9 . 1 1 100 100 ASN CB C 100 39.040 39.040 38.983 0.056 19774 2570 1 9 . 1 1 100 100 ASN H H 100 8.642 8.642 8.731 -0.089 19774 2571 1 9 . 1 1 101 101 SER N N 101 117.265 117.265 120.112 -2.847 19774 2572 1 9 . 1 1 101 101 SER HA H 101 4.408 4.408 4.174 0.234 19774 2573 1 9 . 1 1 101 101 SER C C 101 175.147 175.147 175.935 -0.788 19774 2574 1 9 . 1 1 101 101 SER CA C 101 59.187 59.187 60.335 -1.148 19774 2575 1 9 . 1 1 101 101 SER CB C 101 63.672 63.672 63.200 0.472 19774 2576 1 9 . 1 1 101 101 SER H H 101 8.548 8.548 8.985 -0.437 19774 2577 1 9 . 1 1 102 102 GLN N N 102 122.686 122.686 119.754 2.932 19774 2578 1 9 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.214 0.078 19774 2579 1 9 . 1 1 102 102 GLN C C 102 177.127 177.127 178.248 -1.121 19774 2580 1 9 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.034 -1.649 19774 2581 1 9 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.346 0.454 19774 2582 1 9 . 1 1 102 102 GLN H H 102 8.596 8.596 8.566 0.030 19774 2583 1 9 . 1 1 103 103 GLU N N 103 121.071 121.071 119.903 1.168 19774 2584 1 9 . 1 1 103 103 GLU HA H 103 4.176 4.176 3.947 0.229 19774 2585 1 9 . 1 1 103 103 GLU C C 103 178.080 178.080 178.546 -0.466 19774 2586 1 9 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.648 -1.347 19774 2587 1 9 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.521 0.180 19774 2588 1 9 . 1 1 103 103 GLU H H 103 8.502 8.502 7.693 0.809 19774 2589 1 9 . 1 1 104 104 GLU N N 104 121.073 121.073 118.893 2.180 19774 2590 1 9 . 1 1 104 104 GLU C C 104 178.186 178.186 179.188 -1.002 19774 2591 1 9 . 1 1 104 104 GLU H H 104 8.389 8.389 7.682 0.707 19774 2592 1 9 . 1 1 105 105 GLU N N 105 121.561 121.561 120.095 1.466 19774 2593 1 9 . 1 1 105 105 GLU C C 105 178.380 178.380 178.501 -0.121 19774 2594 1 9 . 1 1 105 105 GLU H H 105 8.454 8.454 8.080 0.374 19774 2595 1 9 . 1 1 106 106 GLU N N 106 120.852 120.852 119.584 1.268 19774 2596 1 9 . 1 1 106 106 GLU C C 106 178.758 178.758 178.622 0.136 19774 2597 1 9 . 1 1 106 106 GLU H H 106 8.473 8.473 8.243 0.230 19774 2598 1 9 . 1 1 107 107 GLU N N 107 120.445 120.445 118.313 2.132 19774 2599 1 9 . 1 1 107 107 GLU C C 107 178.661 178.661 179.195 -0.534 19774 2600 1 9 . 1 1 107 107 GLU H H 107 8.396 8.396 7.695 0.701 19774 2601 1 9 . 1 1 108 108 GLU N N 108 121.089 121.089 119.940 1.149 19774 2602 1 9 . 1 1 108 108 GLU C C 108 178.454 178.454 179.060 -0.606 19774 2603 1 9 . 1 1 108 108 GLU H H 108 8.139 8.139 7.559 0.580 19774 2604 1 9 . 1 1 109 109 LEU N N 109 120.552 120.552 120.796 -0.244 19774 2605 1 9 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.072 0.041 19774 2606 1 9 . 1 1 109 109 LEU C C 109 180.104 180.104 179.029 1.075 19774 2607 1 9 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.958 -0.048 19774 2608 1 9 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.107 0.584 19774 2609 1 9 . 1 1 109 109 LEU H H 109 8.097 8.097 7.666 0.431 19774 2610 1 9 . 1 1 110 110 LEU N N 110 121.275 121.275 119.796 1.479 19774 2611 1 9 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.966 0.273 19774 2612 1 9 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.146 -0.651 19774 2613 1 9 . 1 1 110 110 LEU CB C 110 41.656 41.656 40.770 0.886 19774 2614 1 9 . 1 1 110 110 LEU H H 110 7.964 7.964 7.977 -0.013 19774 2615 1 9 . 1 1 112 112 LYS N N 112 120.602 120.602 119.339 1.263 19774 2616 1 9 . 1 1 112 112 LYS C C 112 177.904 177.904 178.829 -0.925 19774 2617 1 9 . 1 1 112 112 LYS H H 112 8.279 8.279 8.094 0.185 19774 2618 1 9 . 1 1 113 113 ALA N N 113 122.972 122.972 123.628 -0.656 19774 2619 1 9 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.294 -0.012 19774 2620 1 9 . 1 1 113 113 ALA C C 113 180.557 180.557 179.735 0.822 19774 2621 1 9 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.950 -0.474 19774 2622 1 9 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.413 -0.147 19774 2623 1 9 . 1 1 113 113 ALA H H 113 7.992 7.992 8.272 -0.280 19774 2624 1 9 . 1 1 114 114 ILE N N 114 120.299 120.299 119.285 1.014 19774 2625 1 9 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.804 0.045 19774 2626 1 9 . 1 1 114 114 ILE C C 114 178.314 178.314 178.280 0.034 19774 2627 1 9 . 1 1 114 114 ILE CA C 114 63.783 63.783 63.900 -0.117 19774 2628 1 9 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.815 1.516 19774 2629 1 9 . 1 1 114 114 ILE H H 114 8.231 8.231 7.925 0.306 19774 2630 1 9 . 1 1 115 115 ALA N N 115 124.227 124.227 122.450 1.777 19774 2631 1 9 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.935 0.273 19774 2632 1 9 . 1 1 115 115 ALA C C 115 179.824 179.824 179.515 0.309 19774 2633 1 9 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.319 -0.762 19774 2634 1 9 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.166 0.115 19774 2635 1 9 . 1 1 115 115 ALA H H 115 8.087 8.087 7.787 0.300 19774 2636 1 9 . 1 1 116 116 GLU N N 116 118.344 118.344 118.617 -0.273 19774 2637 1 9 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.918 0.290 19774 2638 1 9 . 1 1 116 116 GLU C C 116 178.142 178.142 179.246 -1.104 19774 2639 1 9 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.375 -1.387 19774 2640 1 9 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.605 0.048 19774 2641 1 9 . 1 1 116 116 GLU H H 116 8.322 8.322 8.469 -0.147 19774 2642 1 9 . 1 1 117 117 SER N N 117 115.778 115.778 115.648 0.130 19774 2643 1 9 . 1 1 117 117 SER HA H 117 4.380 4.380 4.154 0.226 19774 2644 1 9 . 1 1 117 117 SER C C 117 175.595 175.595 176.754 -1.159 19774 2645 1 9 . 1 1 117 117 SER CA C 117 59.926 59.926 61.656 -1.730 19774 2646 1 9 . 1 1 117 117 SER CB C 117 63.351 63.351 63.174 0.177 19774 2647 1 9 . 1 1 117 117 SER H H 117 8.050 8.050 8.217 -0.167 19774 2648 1 9 . 1 1 118 118 LEU N N 118 122.792 122.792 121.910 0.882 19774 2649 1 9 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.020 0.262 19774 2650 1 9 . 1 1 118 118 LEU C C 118 177.998 177.998 178.627 -0.629 19774 2651 1 9 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.320 -1.179 19774 2652 1 9 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.827 0.247 19774 2653 1 9 . 1 1 118 118 LEU H H 118 7.984 7.984 7.913 0.071 19774 2654 1 9 . 1 1 119 119 ASN N N 119 118.030 118.030 115.121 2.909 19774 2655 1 9 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.610 0.093 19774 2656 1 9 . 1 1 119 119 ASN C C 119 175.640 175.640 177.465 -1.825 19774 2657 1 9 . 1 1 119 119 ASN CA C 119 53.761 53.761 54.739 -0.978 19774 2658 1 9 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.350 0.473 19774 2659 1 9 . 1 1 119 119 ASN H H 119 8.199 8.199 8.048 0.151 19774 2660 1 9 . 1 1 120 120 SER N N 120 115.677 115.677 115.861 -0.184 19774 2661 1 9 . 1 1 120 120 SER HA H 120 4.473 4.473 4.334 0.139 19774 2662 1 9 . 1 1 120 120 SER CA C 120 58.803 58.803 59.558 -0.755 19774 2663 1 9 . 1 1 120 120 SER CB C 120 63.708 63.708 63.406 0.302 19774 2664 1 9 . 1 1 120 120 SER H H 120 8.200 8.200 7.971 0.229 19774 2665 1 9 . 1 1 123 123 PRO C C 123 177.186 177.186 176.179 1.007 19774 2666 1 9 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.944 0.414 19774 2667 1 9 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.054 0.109 19774 2668 1 9 . 1 1 124 124 SER N N 124 116.200 116.200 118.529 -2.329 19774 2669 1 9 . 1 1 124 124 SER HA H 124 4.990 4.990 4.386 0.604 19774 2670 1 9 . 1 1 124 124 SER C C 124 174.548 174.548 174.511 0.037 19774 2671 1 9 . 1 1 124 124 SER CA C 124 58.600 58.600 58.011 0.589 19774 2672 1 9 . 1 1 124 124 SER CB C 124 63.727 63.727 64.094 -0.367 19774 2673 1 9 . 1 1 124 124 SER H H 124 8.596 8.596 8.225 0.371 19774 2674 1 9 . 1 1 125 125 ASP N N 125 122.649 122.649 125.198 -2.549 19774 2675 1 9 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.597 0.011 19774 2676 1 9 . 1 1 125 125 ASP C C 125 176.378 176.378 176.663 -0.285 19774 2677 1 9 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.722 -0.475 19774 2678 1 9 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.509 -0.429 19774 2679 1 9 . 1 1 125 125 ASP H H 125 8.427 8.427 8.386 0.041 19774 2680 1 9 . 1 1 126 126 ALA N N 126 124.975 124.975 127.532 -2.557 19774 2681 1 9 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.131 0.172 19774 2682 1 9 . 1 1 126 126 ALA C C 126 178.138 178.138 178.267 -0.129 19774 2683 1 9 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.165 -1.098 19774 2684 1 9 . 1 1 126 126 ALA CB C 126 18.919 18.919 19.024 -0.105 19774 2685 1 9 . 1 1 126 126 ALA H H 126 8.401 8.401 8.491 -0.090 19774 2686 1 9 . 1 1 127 127 SER N N 127 114.892 114.892 113.477 1.415 19774 2687 1 9 . 1 1 127 127 SER HA H 127 4.380 4.380 4.289 0.091 19774 2688 1 9 . 1 1 127 127 SER C C 127 174.582 174.582 174.991 -0.409 19774 2689 1 9 . 1 1 127 127 SER CA C 127 58.826 58.826 58.744 0.082 19774 2690 1 9 . 1 1 127 127 SER CB C 127 63.662 63.662 63.493 0.169 19774 2691 1 9 . 1 1 127 127 SER H H 127 8.403 8.403 8.040 0.363 19774 2692 1 9 . 1 1 128 128 ALA N N 128 125.815 125.815 121.912 3.903 19774 2693 1 9 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.040 0.349 19774 2694 1 9 . 1 1 128 128 ALA C C 128 177.957 177.957 176.840 1.117 19774 2695 1 9 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.623 -0.911 19774 2696 1 9 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.246 1.998 19774 2697 1 9 . 1 1 128 128 ALA H H 128 8.266 8.266 7.405 0.861 19774 2698 1 9 . 1 1 129 129 THR N N 129 113.766 113.766 116.692 -2.926 19774 2699 1 9 . 1 1 129 129 THR HA H 129 4.310 4.310 4.195 0.115 19774 2700 1 9 . 1 1 129 129 THR C C 129 174.414 174.414 174.113 0.301 19774 2701 1 9 . 1 1 129 129 THR CA C 129 62.010 62.010 63.050 -1.040 19774 2702 1 9 . 1 1 129 129 THR CB C 129 69.748 69.748 69.161 0.587 19774 2703 1 9 . 1 1 129 129 THR H H 129 8.200 8.200 7.612 0.588 19774 2704 1 9 . 1 1 130 130 ARG N N 130 124.611 124.611 126.605 -1.994 19774 2705 1 9 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.423 0.027 19774 2706 1 9 . 1 1 130 130 ARG C C 130 175.443 175.443 176.277 -0.834 19774 2707 1 9 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.504 0.475 19774 2708 1 9 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.631 0.272 19774 2709 1 9 . 1 1 130 130 ARG H H 130 8.457 8.457 8.481 -0.024 19774 2710 1 10 . 1 1 -2 -2 LEU N N -2 122.796 122.796 119.735 3.061 19774 2711 1 10 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.101 0.244 19774 2712 1 10 . 1 1 -2 -2 LEU C C -2 178.154 178.154 178.116 0.038 19774 2713 1 10 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.746 -0.154 19774 2714 1 10 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.975 0.253 19774 2715 1 10 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.596 1.108 19774 2716 1 10 . 1 1 -1 -1 GLY N N -1 110.002 110.002 106.235 3.767 19774 2717 1 10 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.902 -0.434 19774 2718 1 10 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.062 0.261 19774 2719 1 10 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.030 0.518 19774 2720 1 10 . 1 1 75 75 LYS N N 75 123.250 123.250 123.132 0.118 19774 2721 1 10 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.295 0.008 19774 2722 1 10 . 1 1 75 75 LYS C C 75 176.826 176.826 176.684 0.142 19774 2723 1 10 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.411 -0.030 19774 2724 1 10 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.219 -0.345 19774 2725 1 10 . 1 1 75 75 LYS H H 75 8.447 8.447 8.312 0.135 19774 2726 1 10 . 1 1 76 76 ILE N N 76 123.138 123.138 122.202 0.936 19774 2727 1 10 . 1 1 76 76 ILE HA H 76 4.092 4.092 3.977 0.115 19774 2728 1 10 . 1 1 76 76 ILE C C 76 176.311 176.311 175.987 0.324 19774 2729 1 10 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.013 0.576 19774 2730 1 10 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.706 0.863 19774 2731 1 10 . 1 1 76 76 ILE H H 76 8.315 8.315 8.164 0.151 19774 2732 1 10 . 1 1 77 77 ALA N N 77 127.035 127.035 130.562 -3.527 19774 2733 1 10 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.412 -0.154 19774 2734 1 10 . 1 1 77 77 ALA C C 77 177.642 177.642 177.174 0.468 19774 2735 1 10 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.562 1.273 19774 2736 1 10 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.750 -0.650 19774 2737 1 10 . 1 1 77 77 ALA H H 77 8.446 8.446 8.271 0.175 19774 2738 1 10 . 1 1 78 78 GLN N N 78 119.150 119.150 119.991 -0.841 19774 2739 1 10 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.300 0.013 19774 2740 1 10 . 1 1 78 78 GLN C C 78 176.025 176.025 175.520 0.505 19774 2741 1 10 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.682 0.039 19774 2742 1 10 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.074 0.457 19774 2743 1 10 . 1 1 78 78 GLN H H 78 8.323 8.323 8.325 -0.002 19774 2744 1 10 . 1 1 79 79 MET N N 79 122.456 122.456 123.431 -0.975 19774 2745 1 10 . 1 1 79 79 MET HA H 79 4.619 4.619 4.662 -0.043 19774 2746 1 10 . 1 1 79 79 MET C C 79 177.080 177.080 177.381 -0.301 19774 2747 1 10 . 1 1 79 79 MET CA C 79 56.021 56.021 53.958 2.063 19774 2748 1 10 . 1 1 79 79 MET CB C 79 34.723 34.723 33.071 1.652 19774 2749 1 10 . 1 1 79 79 MET H H 79 8.410 8.410 8.336 0.074 19774 2750 1 10 . 1 1 80 80 THR N N 80 115.145 115.145 115.886 -0.741 19774 2751 1 10 . 1 1 80 80 THR HA H 80 4.390 4.390 4.580 -0.190 19774 2752 1 10 . 1 1 80 80 THR C C 80 175.463 175.463 175.637 -0.174 19774 2753 1 10 . 1 1 80 80 THR CA C 80 61.546 61.546 61.038 0.508 19774 2754 1 10 . 1 1 80 80 THR CB C 80 70.845 70.845 70.764 0.081 19774 2755 1 10 . 1 1 80 80 THR H H 80 8.915 8.915 8.618 0.297 19774 2756 1 10 . 1 1 81 81 GLU N N 81 122.254 122.254 122.847 -0.593 19774 2757 1 10 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.979 0.028 19774 2758 1 10 . 1 1 81 81 GLU C C 81 178.734 178.734 178.586 0.148 19774 2759 1 10 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.639 0.160 19774 2760 1 10 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.006 0.388 19774 2761 1 10 . 1 1 81 81 GLU H H 81 9.076 9.076 8.990 0.086 19774 2762 1 10 . 1 1 82 82 GLU N N 82 119.436 119.436 119.810 -0.374 19774 2763 1 10 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.108 0.015 19774 2764 1 10 . 1 1 82 82 GLU C C 82 179.545 179.545 178.911 0.634 19774 2765 1 10 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.209 0.616 19774 2766 1 10 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.245 0.023 19774 2767 1 10 . 1 1 82 82 GLU H H 82 8.839 8.839 8.638 0.201 19774 2768 1 10 . 1 1 83 83 GLU N N 83 121.597 121.597 120.072 1.525 19774 2769 1 10 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.021 0.081 19774 2770 1 10 . 1 1 83 83 GLU C C 83 179.440 179.440 178.877 0.563 19774 2771 1 10 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.193 -0.290 19774 2772 1 10 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.682 0.345 19774 2773 1 10 . 1 1 83 83 GLU H H 83 8.029 8.029 7.717 0.312 19774 2774 1 10 . 1 1 84 84 GLN N N 84 120.565 120.565 119.464 1.101 19774 2775 1 10 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.068 -0.039 19774 2776 1 10 . 1 1 84 84 GLN C C 84 178.689 178.689 178.198 0.491 19774 2777 1 10 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.541 0.478 19774 2778 1 10 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.308 0.305 19774 2779 1 10 . 1 1 84 84 GLN H H 84 8.575 8.575 8.138 0.437 19774 2780 1 10 . 1 1 85 85 PHE N N 85 121.525 121.525 120.421 1.104 19774 2781 1 10 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.119 0.110 19774 2782 1 10 . 1 1 85 85 PHE C C 85 177.713 177.713 176.744 0.969 19774 2783 1 10 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.102 -0.779 19774 2784 1 10 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.857 -0.137 19774 2785 1 10 . 1 1 85 85 PHE H H 85 8.483 8.483 8.054 0.429 19774 2786 1 10 . 1 1 86 86 ALA N N 86 121.849 121.849 122.278 -0.429 19774 2787 1 10 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.894 0.250 19774 2788 1 10 . 1 1 86 86 ALA C C 86 180.283 180.283 179.579 0.704 19774 2789 1 10 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.037 -0.342 19774 2790 1 10 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.138 0.074 19774 2791 1 10 . 1 1 86 86 ALA H H 86 8.072 8.072 7.893 0.179 19774 2792 1 10 . 1 1 87 87 LEU N N 87 120.459 120.459 119.016 1.443 19774 2793 1 10 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.861 0.357 19774 2794 1 10 . 1 1 87 87 LEU C C 87 178.387 178.387 178.950 -0.563 19774 2795 1 10 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.584 -0.327 19774 2796 1 10 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.569 0.306 19774 2797 1 10 . 1 1 87 87 LEU H H 87 8.010 8.010 8.067 -0.057 19774 2798 1 10 . 1 1 88 88 ALA N N 88 122.123 122.123 122.205 -0.082 19774 2799 1 10 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.924 0.210 19774 2800 1 10 . 1 1 88 88 ALA C C 88 180.241 180.241 179.576 0.665 19774 2801 1 10 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.069 -0.577 19774 2802 1 10 . 1 1 88 88 ALA CB C 88 17.859 17.859 17.932 -0.073 19774 2803 1 10 . 1 1 88 88 ALA H H 88 7.981 7.981 7.774 0.207 19774 2804 1 10 . 1 1 89 89 LEU N N 89 119.923 119.923 118.224 1.699 19774 2805 1 10 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.838 0.296 19774 2806 1 10 . 1 1 89 89 LEU C C 89 178.981 178.981 179.341 -0.360 19774 2807 1 10 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.209 -0.205 19774 2808 1 10 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.392 0.554 19774 2809 1 10 . 1 1 89 89 LEU H H 89 7.897 7.897 7.479 0.418 19774 2810 1 10 . 1 1 90 90 LYS N N 90 120.679 120.679 118.592 2.087 19774 2811 1 10 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.953 0.223 19774 2812 1 10 . 1 1 90 90 LYS C C 90 178.799 178.799 179.107 -0.308 19774 2813 1 10 . 1 1 90 90 LYS CA C 90 58.199 58.199 58.864 -0.665 19774 2814 1 10 . 1 1 90 90 LYS CB C 90 32.443 32.443 31.962 0.481 19774 2815 1 10 . 1 1 90 90 LYS H H 90 7.913 7.913 7.687 0.226 19774 2816 1 10 . 1 1 91 91 MET N N 91 118.958 118.958 118.859 0.099 19774 2817 1 10 . 1 1 91 91 MET HA H 91 4.366 4.366 4.502 -0.136 19774 2818 1 10 . 1 1 91 91 MET C C 91 177.925 177.925 178.972 -1.047 19774 2819 1 10 . 1 1 91 91 MET CA C 91 57.121 57.121 57.467 -0.346 19774 2820 1 10 . 1 1 91 91 MET CB C 91 32.242 32.242 31.970 0.273 19774 2821 1 10 . 1 1 91 91 MET H H 91 8.392 8.392 8.173 0.219 19774 2822 1 10 . 1 1 92 92 SER N N 92 116.458 116.458 115.107 1.351 19774 2823 1 10 . 1 1 92 92 SER HA H 92 4.376 4.376 4.363 0.013 19774 2824 1 10 . 1 1 92 92 SER C C 92 175.910 175.910 176.968 -1.058 19774 2825 1 10 . 1 1 92 92 SER CA C 92 60.139 60.139 60.907 -0.768 19774 2826 1 10 . 1 1 92 92 SER CB C 92 63.292 63.292 62.945 0.347 19774 2827 1 10 . 1 1 92 92 SER H H 92 8.268 8.268 7.896 0.372 19774 2828 1 10 . 1 1 93 93 GLU N N 93 122.379 122.379 121.837 0.542 19774 2829 1 10 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.058 0.150 19774 2830 1 10 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.050 -1.057 19774 2831 1 10 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.135 0.651 19774 2832 1 10 . 1 1 93 93 GLU H H 93 8.255 8.255 7.703 0.552 19774 2833 1 10 . 1 1 94 94 GLN C C 94 177.043 177.043 178.555 -1.512 19774 2834 1 10 . 1 1 94 94 GLN CA C 94 57.109 57.109 59.104 -1.995 19774 2835 1 10 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.622 0.349 19774 2836 1 10 . 1 1 95 95 GLU N N 95 121.162 121.162 119.471 1.691 19774 2837 1 10 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.011 0.155 19774 2838 1 10 . 1 1 95 95 GLU C C 95 177.150 177.150 177.812 -0.662 19774 2839 1 10 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.845 -1.266 19774 2840 1 10 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.389 0.593 19774 2841 1 10 . 1 1 95 95 GLU H H 95 8.294 8.294 7.747 0.547 19774 2842 1 10 . 1 1 96 96 ALA N N 96 123.599 123.599 120.031 3.568 19774 2843 1 10 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.169 0.144 19774 2844 1 10 . 1 1 96 96 ALA C C 96 178.276 178.276 179.866 -1.590 19774 2845 1 10 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.351 -1.169 19774 2846 1 10 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.919 -0.234 19774 2847 1 10 . 1 1 96 96 ALA H H 96 8.209 8.209 7.481 0.728 19774 2848 1 10 . 1 1 97 97 ARG N N 97 119.759 119.759 116.525 3.234 19774 2849 1 10 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.109 0.183 19774 2850 1 10 . 1 1 97 97 ARG C C 97 176.904 176.904 177.544 -0.640 19774 2851 1 10 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.376 -1.674 19774 2852 1 10 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.163 0.707 19774 2853 1 10 . 1 1 97 97 ARG H H 97 8.123 8.123 7.919 0.204 19774 2854 1 10 . 1 1 98 98 GLU N N 98 121.995 121.995 117.005 4.990 19774 2855 1 10 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.247 0.013 19774 2856 1 10 . 1 1 98 98 GLU C C 98 176.939 176.939 176.563 0.376 19774 2857 1 10 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.673 0.277 19774 2858 1 10 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.681 0.370 19774 2859 1 10 . 1 1 98 98 GLU H H 98 8.382 8.382 7.650 0.732 19774 2860 1 10 . 1 1 99 99 VAL N N 99 121.412 121.412 121.070 0.342 19774 2861 1 10 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.934 0.137 19774 2862 1 10 . 1 1 99 99 VAL C C 99 176.276 176.276 175.666 0.610 19774 2863 1 10 . 1 1 99 99 VAL CA C 99 62.936 62.936 63.019 -0.083 19774 2864 1 10 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.066 0.684 19774 2865 1 10 . 1 1 99 99 VAL H H 99 8.269 8.269 7.210 1.059 19774 2866 1 10 . 1 1 100 100 ASN N N 100 122.455 122.455 126.514 -4.059 19774 2867 1 10 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.726 0.093 19774 2868 1 10 . 1 1 100 100 ASN C C 100 175.671 175.671 175.926 -0.255 19774 2869 1 10 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.338 0.087 19774 2870 1 10 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.405 -0.365 19774 2871 1 10 . 1 1 100 100 ASN H H 100 8.642 8.642 8.575 0.067 19774 2872 1 10 . 1 1 101 101 SER N N 101 117.265 117.265 119.167 -1.902 19774 2873 1 10 . 1 1 101 101 SER HA H 101 4.408 4.408 4.239 0.169 19774 2874 1 10 . 1 1 101 101 SER C C 101 175.147 175.147 176.173 -1.026 19774 2875 1 10 . 1 1 101 101 SER CA C 101 59.187 59.187 60.353 -1.166 19774 2876 1 10 . 1 1 101 101 SER CB C 101 63.672 63.672 63.335 0.337 19774 2877 1 10 . 1 1 101 101 SER H H 101 8.548 8.548 9.012 -0.464 19774 2878 1 10 . 1 1 102 102 GLN N N 102 122.686 122.686 119.461 3.225 19774 2879 1 10 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.075 0.217 19774 2880 1 10 . 1 1 102 102 GLN C C 102 177.127 177.127 178.221 -1.094 19774 2881 1 10 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.161 -1.776 19774 2882 1 10 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.435 0.365 19774 2883 1 10 . 1 1 102 102 GLN H H 102 8.596 8.596 8.465 0.131 19774 2884 1 10 . 1 1 103 103 GLU N N 103 121.071 121.071 119.725 1.346 19774 2885 1 10 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.014 0.162 19774 2886 1 10 . 1 1 103 103 GLU C C 103 178.080 178.080 178.838 -0.758 19774 2887 1 10 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.495 -1.194 19774 2888 1 10 . 1 1 103 103 GLU CB C 103 29.701 29.701 28.927 0.774 19774 2889 1 10 . 1 1 103 103 GLU H H 103 8.502 8.502 8.092 0.410 19774 2890 1 10 . 1 1 104 104 GLU N N 104 121.073 121.073 118.592 2.481 19774 2891 1 10 . 1 1 104 104 GLU C C 104 178.186 178.186 178.989 -0.803 19774 2892 1 10 . 1 1 104 104 GLU H H 104 8.389 8.389 7.874 0.515 19774 2893 1 10 . 1 1 105 105 GLU N N 105 121.561 121.561 120.758 0.803 19774 2894 1 10 . 1 1 105 105 GLU C C 105 178.380 178.380 178.757 -0.377 19774 2895 1 10 . 1 1 105 105 GLU H H 105 8.454 8.454 7.940 0.514 19774 2896 1 10 . 1 1 106 106 GLU N N 106 120.852 120.852 119.887 0.965 19774 2897 1 10 . 1 1 106 106 GLU C C 106 178.758 178.758 179.002 -0.244 19774 2898 1 10 . 1 1 106 106 GLU H H 106 8.473 8.473 8.354 0.119 19774 2899 1 10 . 1 1 107 107 GLU N N 107 120.445 120.445 118.995 1.450 19774 2900 1 10 . 1 1 107 107 GLU C C 107 178.661 178.661 179.157 -0.496 19774 2901 1 10 . 1 1 107 107 GLU H H 107 8.396 8.396 7.880 0.516 19774 2902 1 10 . 1 1 108 108 GLU N N 108 121.089 121.089 120.156 0.933 19774 2903 1 10 . 1 1 108 108 GLU C C 108 178.454 178.454 179.343 -0.889 19774 2904 1 10 . 1 1 108 108 GLU H H 108 8.139 8.139 7.676 0.463 19774 2905 1 10 . 1 1 109 109 LEU N N 109 120.552 120.552 120.052 0.500 19774 2906 1 10 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.025 0.088 19774 2907 1 10 . 1 1 109 109 LEU C C 109 180.104 180.104 179.116 0.988 19774 2908 1 10 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.678 0.232 19774 2909 1 10 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.770 -0.079 19774 2910 1 10 . 1 1 109 109 LEU H H 109 8.097 8.097 8.265 -0.168 19774 2911 1 10 . 1 1 110 110 LEU N N 110 121.275 121.275 120.304 0.971 19774 2912 1 10 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.965 0.274 19774 2913 1 10 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.080 -0.585 19774 2914 1 10 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.565 0.091 19774 2915 1 10 . 1 1 110 110 LEU H H 110 7.964 7.964 8.320 -0.356 19774 2916 1 10 . 1 1 112 112 LYS N N 112 120.602 120.602 119.720 0.882 19774 2917 1 10 . 1 1 112 112 LYS C C 112 177.904 177.904 178.632 -0.728 19774 2918 1 10 . 1 1 112 112 LYS H H 112 8.279 8.279 7.749 0.530 19774 2919 1 10 . 1 1 113 113 ALA N N 113 122.972 122.972 122.144 0.828 19774 2920 1 10 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.280 0.002 19774 2921 1 10 . 1 1 113 113 ALA C C 113 180.557 180.557 180.015 0.542 19774 2922 1 10 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.900 -0.424 19774 2923 1 10 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.368 -0.102 19774 2924 1 10 . 1 1 113 113 ALA H H 113 7.992 7.992 8.014 -0.022 19774 2925 1 10 . 1 1 114 114 ILE N N 114 120.299 120.299 118.964 1.335 19774 2926 1 10 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.605 0.244 19774 2927 1 10 . 1 1 114 114 ILE C C 114 178.314 178.314 177.743 0.571 19774 2928 1 10 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.280 -1.497 19774 2929 1 10 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.845 0.486 19774 2930 1 10 . 1 1 114 114 ILE H H 114 8.231 8.231 7.775 0.456 19774 2931 1 10 . 1 1 115 115 ALA N N 115 124.227 124.227 121.895 2.332 19774 2932 1 10 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.952 0.256 19774 2933 1 10 . 1 1 115 115 ALA C C 115 179.824 179.824 179.675 0.149 19774 2934 1 10 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.375 -0.818 19774 2935 1 10 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.979 0.302 19774 2936 1 10 . 1 1 115 115 ALA H H 115 8.087 8.087 7.939 0.148 19774 2937 1 10 . 1 1 116 116 GLU N N 116 118.344 118.344 118.836 -0.492 19774 2938 1 10 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.928 0.280 19774 2939 1 10 . 1 1 116 116 GLU C C 116 178.142 178.142 179.338 -1.196 19774 2940 1 10 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.379 -1.391 19774 2941 1 10 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.491 0.162 19774 2942 1 10 . 1 1 116 116 GLU H H 116 8.322 8.322 8.389 -0.067 19774 2943 1 10 . 1 1 117 117 SER N N 117 115.778 115.778 115.934 -0.156 19774 2944 1 10 . 1 1 117 117 SER HA H 117 4.380 4.380 4.177 0.203 19774 2945 1 10 . 1 1 117 117 SER C C 117 175.595 175.595 176.451 -0.856 19774 2946 1 10 . 1 1 117 117 SER CA C 117 59.926 59.926 61.614 -1.688 19774 2947 1 10 . 1 1 117 117 SER CB C 117 63.351 63.351 63.367 -0.016 19774 2948 1 10 . 1 1 117 117 SER H H 117 8.050 8.050 7.961 0.089 19774 2949 1 10 . 1 1 118 118 LEU N N 118 122.792 122.792 120.524 2.268 19774 2950 1 10 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.257 0.025 19774 2951 1 10 . 1 1 118 118 LEU C C 118 177.998 177.998 179.498 -1.500 19774 2952 1 10 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.263 -1.122 19774 2953 1 10 . 1 1 118 118 LEU CB C 118 42.074 42.074 42.086 -0.012 19774 2954 1 10 . 1 1 118 118 LEU H H 118 7.984 7.984 7.734 0.250 19774 2955 1 10 . 1 1 119 119 ASN N N 119 118.030 118.030 117.227 0.803 19774 2956 1 10 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.601 0.102 19774 2957 1 10 . 1 1 119 119 ASN C C 119 175.640 175.640 176.108 -0.468 19774 2958 1 10 . 1 1 119 119 ASN CA C 119 53.761 53.761 54.579 -0.818 19774 2959 1 10 . 1 1 119 119 ASN CB C 119 38.823 38.823 39.136 -0.313 19774 2960 1 10 . 1 1 119 119 ASN H H 119 8.199 8.199 8.373 -0.174 19774 2961 1 10 . 1 1 120 120 SER N N 120 115.677 115.677 113.153 2.524 19774 2962 1 10 . 1 1 120 120 SER HA H 120 4.473 4.473 4.517 -0.044 19774 2963 1 10 . 1 1 120 120 SER CA C 120 58.803 58.803 58.441 0.362 19774 2964 1 10 . 1 1 120 120 SER CB C 120 63.708 63.708 62.998 0.710 19774 2965 1 10 . 1 1 120 120 SER H H 120 8.200 8.200 8.278 -0.078 19774 2966 1 10 . 1 1 123 123 PRO C C 123 177.186 177.186 176.057 1.129 19774 2967 1 10 . 1 1 123 123 PRO CA C 123 63.358 63.358 63.011 0.347 19774 2968 1 10 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.339 -0.176 19774 2969 1 10 . 1 1 124 124 SER N N 124 116.200 116.200 118.414 -2.214 19774 2970 1 10 . 1 1 124 124 SER HA H 124 4.990 4.990 4.370 0.620 19774 2971 1 10 . 1 1 124 124 SER C C 124 174.548 174.548 174.746 -0.198 19774 2972 1 10 . 1 1 124 124 SER CA C 124 58.600 58.600 57.938 0.662 19774 2973 1 10 . 1 1 124 124 SER CB C 124 63.727 63.727 63.934 -0.207 19774 2974 1 10 . 1 1 124 124 SER H H 124 8.596 8.596 8.207 0.389 19774 2975 1 10 . 1 1 125 125 ASP N N 125 122.649 122.649 125.461 -2.812 19774 2976 1 10 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.674 -0.066 19774 2977 1 10 . 1 1 125 125 ASP C C 125 176.378 176.378 177.483 -1.105 19774 2978 1 10 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.517 -0.270 19774 2979 1 10 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.661 -0.581 19774 2980 1 10 . 1 1 125 125 ASP H H 125 8.427 8.427 8.621 -0.194 19774 2981 1 10 . 1 1 126 126 ALA N N 126 124.975 124.975 126.210 -1.235 19774 2982 1 10 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.175 0.128 19774 2983 1 10 . 1 1 126 126 ALA C C 126 178.138 178.138 177.967 0.171 19774 2984 1 10 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.391 -1.324 19774 2985 1 10 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.957 -0.038 19774 2986 1 10 . 1 1 126 126 ALA H H 126 8.401 8.401 8.413 -0.012 19774 2987 1 10 . 1 1 127 127 SER N N 127 114.892 114.892 113.601 1.291 19774 2988 1 10 . 1 1 127 127 SER HA H 127 4.380 4.380 4.348 0.032 19774 2989 1 10 . 1 1 127 127 SER C C 127 174.582 174.582 174.749 -0.167 19774 2990 1 10 . 1 1 127 127 SER CA C 127 58.826 58.826 58.560 0.266 19774 2991 1 10 . 1 1 127 127 SER CB C 127 63.662 63.662 63.000 0.662 19774 2992 1 10 . 1 1 127 127 SER H H 127 8.403 8.403 7.898 0.505 19774 2993 1 10 . 1 1 128 128 ALA N N 128 125.815 125.815 123.404 2.411 19774 2994 1 10 . 1 1 128 128 ALA HA H 128 4.389 4.389 3.999 0.390 19774 2995 1 10 . 1 1 128 128 ALA C C 128 177.957 177.957 177.014 0.943 19774 2996 1 10 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.536 -0.824 19774 2997 1 10 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.068 2.176 19774 2998 1 10 . 1 1 128 128 ALA H H 128 8.266 8.266 7.821 0.445 19774 2999 1 10 . 1 1 129 129 THR N N 129 113.766 113.766 111.918 1.848 19774 3000 1 10 . 1 1 129 129 THR HA H 129 4.310 4.310 4.337 -0.027 19774 3001 1 10 . 1 1 129 129 THR C C 129 174.414 174.414 173.782 0.632 19774 3002 1 10 . 1 1 129 129 THR CA C 129 62.010 62.010 60.904 1.106 19774 3003 1 10 . 1 1 129 129 THR CB C 129 69.748 69.748 69.903 -0.155 19774 3004 1 10 . 1 1 129 129 THR H H 129 8.200 8.200 7.550 0.650 19774 3005 1 10 . 1 1 130 130 ARG N N 130 124.611 124.611 123.468 1.143 19774 3006 1 10 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.400 0.050 19774 3007 1 10 . 1 1 130 130 ARG C C 130 175.443 175.443 175.663 -0.220 19774 3008 1 10 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.089 -0.110 19774 3009 1 10 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.979 -0.076 19774 3010 1 10 . 1 1 130 130 ARG H H 130 8.457 8.457 8.534 -0.077 19774 3011 1 11 . 1 1 -2 -2 LEU N N -2 122.796 122.796 121.557 1.239 19774 3012 1 11 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 3.899 0.446 19774 3013 1 11 . 1 1 -2 -2 LEU C C -2 178.154 178.154 176.531 1.623 19774 3014 1 11 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 56.026 -0.434 19774 3015 1 11 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.460 0.768 19774 3016 1 11 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.641 0.063 19774 3017 1 11 . 1 1 -1 -1 GLY N N -1 110.002 110.002 104.785 5.217 19774 3018 1 11 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.594 -0.126 19774 3019 1 11 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.106 0.217 19774 3020 1 11 . 1 1 -1 -1 GLY H H -1 8.548 8.548 7.880 0.668 19774 3021 1 11 . 1 1 75 75 LYS N N 75 123.250 123.250 123.046 0.204 19774 3022 1 11 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.260 0.043 19774 3023 1 11 . 1 1 75 75 LYS C C 75 176.826 176.826 176.545 0.281 19774 3024 1 11 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.226 0.155 19774 3025 1 11 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.972 -0.098 19774 3026 1 11 . 1 1 75 75 LYS H H 75 8.447 8.447 8.176 0.271 19774 3027 1 11 . 1 1 76 76 ILE N N 76 123.138 123.138 121.654 1.484 19774 3028 1 11 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.015 0.077 19774 3029 1 11 . 1 1 76 76 ILE C C 76 176.311 176.311 176.387 -0.076 19774 3030 1 11 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.787 0.801 19774 3031 1 11 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.670 0.899 19774 3032 1 11 . 1 1 76 76 ILE H H 76 8.315 8.315 8.181 0.134 19774 3033 1 11 . 1 1 77 77 ALA N N 77 127.035 127.035 130.683 -3.648 19774 3034 1 11 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.229 0.029 19774 3035 1 11 . 1 1 77 77 ALA C C 77 177.642 177.642 177.156 0.486 19774 3036 1 11 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.598 1.237 19774 3037 1 11 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.471 -0.371 19774 3038 1 11 . 1 1 77 77 ALA H H 77 8.446 8.446 7.986 0.460 19774 3039 1 11 . 1 1 78 78 GLN N N 78 119.150 119.150 121.229 -2.079 19774 3040 1 11 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.249 0.064 19774 3041 1 11 . 1 1 78 78 GLN C C 78 176.025 176.025 175.894 0.131 19774 3042 1 11 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.058 -0.337 19774 3043 1 11 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.384 0.147 19774 3044 1 11 . 1 1 78 78 GLN H H 78 8.323 8.323 8.375 -0.052 19774 3045 1 11 . 1 1 79 79 MET N N 79 122.456 122.456 122.547 -0.091 19774 3046 1 11 . 1 1 79 79 MET HA H 79 4.619 4.619 4.476 0.143 19774 3047 1 11 . 1 1 79 79 MET C C 79 177.080 177.080 177.020 0.060 19774 3048 1 11 . 1 1 79 79 MET CA C 79 56.021 56.021 55.329 0.692 19774 3049 1 11 . 1 1 79 79 MET CB C 79 34.723 34.723 33.346 1.377 19774 3050 1 11 . 1 1 79 79 MET H H 79 8.410 8.410 8.400 0.010 19774 3051 1 11 . 1 1 80 80 THR N N 80 115.145 115.145 115.195 -0.050 19774 3052 1 11 . 1 1 80 80 THR HA H 80 4.390 4.390 4.414 -0.024 19774 3053 1 11 . 1 1 80 80 THR C C 80 175.463 175.463 175.373 0.090 19774 3054 1 11 . 1 1 80 80 THR CA C 80 61.546 61.546 61.029 0.517 19774 3055 1 11 . 1 1 80 80 THR CB C 80 70.845 70.845 70.543 0.302 19774 3056 1 11 . 1 1 80 80 THR H H 80 8.915 8.915 8.814 0.101 19774 3057 1 11 . 1 1 81 81 GLU N N 81 122.254 122.254 122.302 -0.048 19774 3058 1 11 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.032 -0.025 19774 3059 1 11 . 1 1 81 81 GLU C C 81 178.734 178.734 178.749 -0.015 19774 3060 1 11 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.236 -0.438 19774 3061 1 11 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.303 0.091 19774 3062 1 11 . 1 1 81 81 GLU H H 81 9.076 9.076 9.017 0.059 19774 3063 1 11 . 1 1 82 82 GLU N N 82 119.436 119.436 118.491 0.945 19774 3064 1 11 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.130 -0.007 19774 3065 1 11 . 1 1 82 82 GLU C C 82 179.545 179.545 179.050 0.495 19774 3066 1 11 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.402 0.423 19774 3067 1 11 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.136 0.132 19774 3068 1 11 . 1 1 82 82 GLU H H 82 8.839 8.839 8.740 0.099 19774 3069 1 11 . 1 1 83 83 GLU N N 83 121.597 121.597 119.385 2.212 19774 3070 1 11 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.026 0.076 19774 3071 1 11 . 1 1 83 83 GLU C C 83 179.440 179.440 179.376 0.064 19774 3072 1 11 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.275 -0.372 19774 3073 1 11 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.475 0.552 19774 3074 1 11 . 1 1 83 83 GLU H H 83 8.029 8.029 7.700 0.329 19774 3075 1 11 . 1 1 84 84 GLN N N 84 120.565 120.565 118.424 2.141 19774 3076 1 11 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.103 -0.074 19774 3077 1 11 . 1 1 84 84 GLN C C 84 178.689 178.689 178.290 0.399 19774 3078 1 11 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.504 0.515 19774 3079 1 11 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.448 0.165 19774 3080 1 11 . 1 1 84 84 GLN H H 84 8.575 8.575 7.910 0.665 19774 3081 1 11 . 1 1 85 85 PHE N N 85 121.525 121.525 121.263 0.262 19774 3082 1 11 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.074 0.155 19774 3083 1 11 . 1 1 85 85 PHE C C 85 177.713 177.713 176.737 0.976 19774 3084 1 11 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.157 -0.834 19774 3085 1 11 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.843 -0.123 19774 3086 1 11 . 1 1 85 85 PHE H H 85 8.483 8.483 8.394 0.089 19774 3087 1 11 . 1 1 86 86 ALA N N 86 121.849 121.849 122.114 -0.265 19774 3088 1 11 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.801 0.343 19774 3089 1 11 . 1 1 86 86 ALA C C 86 180.283 180.283 179.253 1.030 19774 3090 1 11 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.180 -0.485 19774 3091 1 11 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.368 -0.156 19774 3092 1 11 . 1 1 86 86 ALA H H 86 8.072 8.072 7.954 0.118 19774 3093 1 11 . 1 1 87 87 LEU N N 87 120.459 120.459 118.921 1.538 19774 3094 1 11 . 1 1 87 87 LEU HA H 87 4.218 4.218 4.004 0.214 19774 3095 1 11 . 1 1 87 87 LEU C C 87 178.387 178.387 179.078 -0.691 19774 3096 1 11 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.272 -0.015 19774 3097 1 11 . 1 1 87 87 LEU CB C 87 41.875 41.875 40.749 1.126 19774 3098 1 11 . 1 1 87 87 LEU H H 87 8.010 8.010 8.015 -0.005 19774 3099 1 11 . 1 1 88 88 ALA N N 88 122.123 122.123 122.490 -0.367 19774 3100 1 11 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.929 0.205 19774 3101 1 11 . 1 1 88 88 ALA C C 88 180.241 180.241 179.853 0.388 19774 3102 1 11 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.159 -0.667 19774 3103 1 11 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.029 -0.171 19774 3104 1 11 . 1 1 88 88 ALA H H 88 7.981 7.981 7.940 0.041 19774 3105 1 11 . 1 1 89 89 LEU N N 89 119.923 119.923 118.547 1.376 19774 3106 1 11 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.737 0.397 19774 3107 1 11 . 1 1 89 89 LEU C C 89 178.981 178.981 178.835 0.146 19774 3108 1 11 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.485 -0.481 19774 3109 1 11 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.347 0.598 19774 3110 1 11 . 1 1 89 89 LEU H H 89 7.897 7.897 7.567 0.330 19774 3111 1 11 . 1 1 90 90 LYS N N 90 120.679 120.679 120.065 0.614 19774 3112 1 11 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.145 0.031 19774 3113 1 11 . 1 1 90 90 LYS C C 90 178.799 178.799 179.061 -0.262 19774 3114 1 11 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.182 -0.983 19774 3115 1 11 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.483 -0.040 19774 3116 1 11 . 1 1 90 90 LYS H H 90 7.913 7.913 7.567 0.346 19774 3117 1 11 . 1 1 91 91 MET N N 91 118.958 118.958 118.619 0.339 19774 3118 1 11 . 1 1 91 91 MET HA H 91 4.366 4.366 4.531 -0.165 19774 3119 1 11 . 1 1 91 91 MET C C 91 177.925 177.925 178.744 -0.819 19774 3120 1 11 . 1 1 91 91 MET CA C 91 57.121 57.121 57.247 -0.126 19774 3121 1 11 . 1 1 91 91 MET CB C 91 32.242 32.242 31.630 0.612 19774 3122 1 11 . 1 1 91 91 MET H H 91 8.392 8.392 8.162 0.230 19774 3123 1 11 . 1 1 92 92 SER N N 92 116.458 116.458 115.707 0.751 19774 3124 1 11 . 1 1 92 92 SER HA H 92 4.376 4.376 4.102 0.274 19774 3125 1 11 . 1 1 92 92 SER C C 92 175.910 175.910 176.936 -1.026 19774 3126 1 11 . 1 1 92 92 SER CA C 92 60.139 60.139 62.200 -2.061 19774 3127 1 11 . 1 1 92 92 SER CB C 92 63.292 63.292 62.914 0.378 19774 3128 1 11 . 1 1 92 92 SER H H 92 8.268 8.268 8.002 0.266 19774 3129 1 11 . 1 1 93 93 GLU N N 93 122.379 122.379 121.464 0.915 19774 3130 1 11 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.950 0.258 19774 3131 1 11 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.308 -1.315 19774 3132 1 11 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.427 0.359 19774 3133 1 11 . 1 1 93 93 GLU H H 93 8.255 8.255 7.916 0.339 19774 3134 1 11 . 1 1 94 94 GLN C C 94 177.043 177.043 178.863 -1.820 19774 3135 1 11 . 1 1 94 94 GLN CA C 94 57.109 57.109 59.006 -1.897 19774 3136 1 11 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.716 0.255 19774 3137 1 11 . 1 1 95 95 GLU N N 95 121.162 121.162 120.104 1.058 19774 3138 1 11 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.408 -0.242 19774 3139 1 11 . 1 1 95 95 GLU C C 95 177.150 177.150 178.722 -1.572 19774 3140 1 11 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.347 -0.769 19774 3141 1 11 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.309 0.673 19774 3142 1 11 . 1 1 95 95 GLU H H 95 8.294 8.294 8.029 0.265 19774 3143 1 11 . 1 1 96 96 ALA N N 96 123.599 123.599 121.824 1.775 19774 3144 1 11 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.120 0.193 19774 3145 1 11 . 1 1 96 96 ALA C C 96 178.276 178.276 179.605 -1.329 19774 3146 1 11 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.483 -1.302 19774 3147 1 11 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.300 0.385 19774 3148 1 11 . 1 1 96 96 ALA H H 96 8.209 8.209 8.188 0.021 19774 3149 1 11 . 1 1 97 97 ARG N N 97 119.759 119.759 116.633 3.126 19774 3150 1 11 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.064 0.228 19774 3151 1 11 . 1 1 97 97 ARG C C 97 176.904 176.904 177.595 -0.691 19774 3152 1 11 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.430 -1.728 19774 3153 1 11 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.165 0.705 19774 3154 1 11 . 1 1 97 97 ARG H H 97 8.123 8.123 7.388 0.735 19774 3155 1 11 . 1 1 98 98 GLU N N 98 121.995 121.995 116.483 5.512 19774 3156 1 11 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.264 -0.004 19774 3157 1 11 . 1 1 98 98 GLU C C 98 176.939 176.939 176.700 0.239 19774 3158 1 11 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.842 0.108 19774 3159 1 11 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.542 0.509 19774 3160 1 11 . 1 1 98 98 GLU H H 98 8.382 8.382 7.645 0.737 19774 3161 1 11 . 1 1 99 99 VAL N N 99 121.412 121.412 120.078 1.334 19774 3162 1 11 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.933 0.138 19774 3163 1 11 . 1 1 99 99 VAL C C 99 176.276 176.276 176.132 0.144 19774 3164 1 11 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.224 0.712 19774 3165 1 11 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.078 0.672 19774 3166 1 11 . 1 1 99 99 VAL H H 99 8.269 8.269 7.410 0.859 19774 3167 1 11 . 1 1 100 100 ASN N N 100 122.455 122.455 125.945 -3.490 19774 3168 1 11 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.573 0.246 19774 3169 1 11 . 1 1 100 100 ASN C C 100 175.671 175.671 176.527 -0.856 19774 3170 1 11 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.924 -0.499 19774 3171 1 11 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.111 -0.071 19774 3172 1 11 . 1 1 100 100 ASN H H 100 8.642 8.642 8.454 0.188 19774 3173 1 11 . 1 1 101 101 SER N N 101 117.265 117.265 117.372 -0.107 19774 3174 1 11 . 1 1 101 101 SER HA H 101 4.408 4.408 4.140 0.268 19774 3175 1 11 . 1 1 101 101 SER C C 101 175.147 175.147 176.126 -0.979 19774 3176 1 11 . 1 1 101 101 SER CA C 101 59.187 59.187 62.169 -2.982 19774 3177 1 11 . 1 1 101 101 SER CB C 101 63.672 63.672 63.267 0.405 19774 3178 1 11 . 1 1 101 101 SER H H 101 8.548 8.548 8.727 -0.179 19774 3179 1 11 . 1 1 102 102 GLN N N 102 122.686 122.686 119.235 3.451 19774 3180 1 11 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.068 0.224 19774 3181 1 11 . 1 1 102 102 GLN C C 102 177.127 177.127 178.006 -0.879 19774 3182 1 11 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.756 -1.371 19774 3183 1 11 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.012 0.788 19774 3184 1 11 . 1 1 102 102 GLN H H 102 8.596 8.596 8.539 0.057 19774 3185 1 11 . 1 1 103 103 GLU N N 103 121.071 121.071 119.869 1.202 19774 3186 1 11 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.211 -0.035 19774 3187 1 11 . 1 1 103 103 GLU C C 103 178.080 178.080 179.058 -0.978 19774 3188 1 11 . 1 1 103 103 GLU CA C 103 58.301 58.301 58.919 -0.618 19774 3189 1 11 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.253 0.448 19774 3190 1 11 . 1 1 103 103 GLU H H 103 8.502 8.502 8.389 0.113 19774 3191 1 11 . 1 1 104 104 GLU N N 104 121.073 121.073 120.920 0.153 19774 3192 1 11 . 1 1 104 104 GLU C C 104 178.186 178.186 178.694 -0.508 19774 3193 1 11 . 1 1 104 104 GLU H H 104 8.389 8.389 8.370 0.019 19774 3194 1 11 . 1 1 105 105 GLU N N 105 121.561 121.561 118.555 3.006 19774 3195 1 11 . 1 1 105 105 GLU C C 105 178.380 178.380 179.252 -0.872 19774 3196 1 11 . 1 1 105 105 GLU H H 105 8.454 8.454 7.869 0.585 19774 3197 1 11 . 1 1 106 106 GLU N N 106 120.852 120.852 118.966 1.886 19774 3198 1 11 . 1 1 106 106 GLU C C 106 178.758 178.758 179.084 -0.326 19774 3199 1 11 . 1 1 106 106 GLU H H 106 8.473 8.473 7.864 0.609 19774 3200 1 11 . 1 1 107 107 GLU N N 107 120.445 120.445 119.768 0.677 19774 3201 1 11 . 1 1 107 107 GLU C C 107 178.661 178.661 179.030 -0.369 19774 3202 1 11 . 1 1 107 107 GLU H H 107 8.396 8.396 7.707 0.689 19774 3203 1 11 . 1 1 108 108 GLU N N 108 121.089 121.089 120.546 0.543 19774 3204 1 11 . 1 1 108 108 GLU C C 108 178.454 178.454 178.951 -0.497 19774 3205 1 11 . 1 1 108 108 GLU H H 108 8.139 8.139 8.386 -0.247 19774 3206 1 11 . 1 1 109 109 LEU N N 109 120.552 120.552 119.809 0.743 19774 3207 1 11 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.007 0.106 19774 3208 1 11 . 1 1 109 109 LEU C C 109 180.104 180.104 179.204 0.900 19774 3209 1 11 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.897 0.013 19774 3210 1 11 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.848 -0.157 19774 3211 1 11 . 1 1 109 109 LEU H H 109 8.097 8.097 7.672 0.425 19774 3212 1 11 . 1 1 110 110 LEU N N 110 121.275 121.275 119.037 2.238 19774 3213 1 11 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.949 0.290 19774 3214 1 11 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.806 -0.311 19774 3215 1 11 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.403 0.253 19774 3216 1 11 . 1 1 110 110 LEU H H 110 7.964 7.964 7.645 0.319 19774 3217 1 11 . 1 1 112 112 LYS N N 112 120.602 120.602 120.423 0.179 19774 3218 1 11 . 1 1 112 112 LYS C C 112 177.904 177.904 178.556 -0.652 19774 3219 1 11 . 1 1 112 112 LYS H H 112 8.279 8.279 8.208 0.071 19774 3220 1 11 . 1 1 113 113 ALA N N 113 122.972 122.972 122.044 0.928 19774 3221 1 11 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.337 -0.055 19774 3222 1 11 . 1 1 113 113 ALA C C 113 180.557 180.557 180.001 0.556 19774 3223 1 11 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.837 -0.361 19774 3224 1 11 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.296 -0.030 19774 3225 1 11 . 1 1 113 113 ALA H H 113 7.992 7.992 7.568 0.424 19774 3226 1 11 . 1 1 114 114 ILE N N 114 120.299 120.299 118.988 1.311 19774 3227 1 11 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.616 0.233 19774 3228 1 11 . 1 1 114 114 ILE C C 114 178.314 178.314 177.724 0.590 19774 3229 1 11 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.273 -1.490 19774 3230 1 11 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.870 0.461 19774 3231 1 11 . 1 1 114 114 ILE H H 114 8.231 8.231 7.652 0.579 19774 3232 1 11 . 1 1 115 115 ALA N N 115 124.227 124.227 122.413 1.814 19774 3233 1 11 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.968 0.240 19774 3234 1 11 . 1 1 115 115 ALA C C 115 179.824 179.824 179.584 0.240 19774 3235 1 11 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.333 -0.776 19774 3236 1 11 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.153 0.128 19774 3237 1 11 . 1 1 115 115 ALA H H 115 8.087 8.087 8.056 0.031 19774 3238 1 11 . 1 1 116 116 GLU N N 116 118.344 118.344 118.640 -0.296 19774 3239 1 11 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.941 0.267 19774 3240 1 11 . 1 1 116 116 GLU C C 116 178.142 178.142 179.315 -1.173 19774 3241 1 11 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.362 -1.374 19774 3242 1 11 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.546 0.107 19774 3243 1 11 . 1 1 116 116 GLU H H 116 8.322 8.322 8.293 0.029 19774 3244 1 11 . 1 1 117 117 SER N N 117 115.778 115.778 115.771 0.007 19774 3245 1 11 . 1 1 117 117 SER HA H 117 4.380 4.380 4.173 0.207 19774 3246 1 11 . 1 1 117 117 SER C C 117 175.595 175.595 176.402 -0.807 19774 3247 1 11 . 1 1 117 117 SER CA C 117 59.926 59.926 62.456 -2.530 19774 3248 1 11 . 1 1 117 117 SER CB C 117 63.351 63.351 63.138 0.213 19774 3249 1 11 . 1 1 117 117 SER H H 117 8.050 8.050 7.807 0.243 19774 3250 1 11 . 1 1 118 118 LEU N N 118 122.792 122.792 121.633 1.159 19774 3251 1 11 . 1 1 118 118 LEU HA H 118 4.282 4.282 3.952 0.330 19774 3252 1 11 . 1 1 118 118 LEU C C 118 177.998 177.998 178.703 -0.705 19774 3253 1 11 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.483 -1.342 19774 3254 1 11 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.795 0.279 19774 3255 1 11 . 1 1 118 118 LEU H H 118 7.984 7.984 7.795 0.189 19774 3256 1 11 . 1 1 119 119 ASN N N 119 118.030 118.030 116.774 1.256 19774 3257 1 11 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.607 0.096 19774 3258 1 11 . 1 1 119 119 ASN C C 119 175.640 175.640 177.148 -1.508 19774 3259 1 11 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.358 -1.597 19774 3260 1 11 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.380 0.443 19774 3261 1 11 . 1 1 119 119 ASN H H 119 8.199 8.199 8.104 0.095 19774 3262 1 11 . 1 1 120 120 SER N N 120 115.677 115.677 114.827 0.850 19774 3263 1 11 . 1 1 120 120 SER HA H 120 4.473 4.473 4.454 0.019 19774 3264 1 11 . 1 1 120 120 SER CA C 120 58.803 58.803 59.079 -0.276 19774 3265 1 11 . 1 1 120 120 SER CB C 120 63.708 63.708 63.985 -0.277 19774 3266 1 11 . 1 1 120 120 SER H H 120 8.200 8.200 7.976 0.224 19774 3267 1 11 . 1 1 123 123 PRO C C 123 177.186 177.186 176.787 0.399 19774 3268 1 11 . 1 1 123 123 PRO CA C 123 63.358 63.358 63.051 0.307 19774 3269 1 11 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.436 -0.273 19774 3270 1 11 . 1 1 124 124 SER N N 124 116.200 116.200 118.735 -2.535 19774 3271 1 11 . 1 1 124 124 SER HA H 124 4.990 4.990 4.259 0.731 19774 3272 1 11 . 1 1 124 124 SER C C 124 174.548 174.548 174.555 -0.007 19774 3273 1 11 . 1 1 124 124 SER CA C 124 58.600 58.600 58.055 0.545 19774 3274 1 11 . 1 1 124 124 SER CB C 124 63.727 63.727 64.117 -0.390 19774 3275 1 11 . 1 1 124 124 SER H H 124 8.596 8.596 8.181 0.415 19774 3276 1 11 . 1 1 125 125 ASP N N 125 122.649 122.649 125.121 -2.472 19774 3277 1 11 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.522 0.086 19774 3278 1 11 . 1 1 125 125 ASP C C 125 176.378 176.378 176.840 -0.462 19774 3279 1 11 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.969 -0.722 19774 3280 1 11 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.853 -0.773 19774 3281 1 11 . 1 1 125 125 ASP H H 125 8.427 8.427 8.385 0.042 19774 3282 1 11 . 1 1 126 126 ALA N N 126 124.975 124.975 128.512 -3.537 19774 3283 1 11 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.099 0.204 19774 3284 1 11 . 1 1 126 126 ALA C C 126 178.138 178.138 178.464 -0.326 19774 3285 1 11 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.124 -1.057 19774 3286 1 11 . 1 1 126 126 ALA CB C 126 18.919 18.919 19.037 -0.118 19774 3287 1 11 . 1 1 126 126 ALA H H 126 8.401 8.401 8.600 -0.199 19774 3288 1 11 . 1 1 127 127 SER N N 127 114.892 114.892 112.907 1.985 19774 3289 1 11 . 1 1 127 127 SER HA H 127 4.380 4.380 4.345 0.035 19774 3290 1 11 . 1 1 127 127 SER C C 127 174.582 174.582 175.393 -0.811 19774 3291 1 11 . 1 1 127 127 SER CA C 127 58.826 58.826 60.202 -1.376 19774 3292 1 11 . 1 1 127 127 SER CB C 127 63.662 63.662 63.937 -0.275 19774 3293 1 11 . 1 1 127 127 SER H H 127 8.403 8.403 8.781 -0.378 19774 3294 1 11 . 1 1 128 128 ALA N N 128 125.815 125.815 121.343 4.472 19774 3295 1 11 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.055 0.334 19774 3296 1 11 . 1 1 128 128 ALA C C 128 177.957 177.957 176.943 1.014 19774 3297 1 11 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.916 -1.204 19774 3298 1 11 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.210 2.034 19774 3299 1 11 . 1 1 128 128 ALA H H 128 8.266 8.266 7.680 0.586 19774 3300 1 11 . 1 1 129 129 THR N N 129 113.766 113.766 117.468 -3.702 19774 3301 1 11 . 1 1 129 129 THR HA H 129 4.310 4.310 4.346 -0.036 19774 3302 1 11 . 1 1 129 129 THR C C 129 174.414 174.414 173.740 0.674 19774 3303 1 11 . 1 1 129 129 THR CA C 129 62.010 62.010 62.499 -0.489 19774 3304 1 11 . 1 1 129 129 THR CB C 129 69.748 69.748 69.359 0.389 19774 3305 1 11 . 1 1 129 129 THR H H 129 8.200 8.200 7.830 0.370 19774 3306 1 11 . 1 1 130 130 ARG N N 130 124.611 124.611 127.020 -2.409 19774 3307 1 11 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.355 0.095 19774 3308 1 11 . 1 1 130 130 ARG C C 130 175.443 175.443 176.165 -0.722 19774 3309 1 11 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.646 -0.667 19774 3310 1 11 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.032 -0.129 19774 3311 1 11 . 1 1 130 130 ARG H H 130 8.457 8.457 8.611 -0.154 19774 3312 1 12 . 1 1 -2 -2 LEU N N -2 122.796 122.796 122.951 -0.155 19774 3313 1 12 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.104 0.241 19774 3314 1 12 . 1 1 -2 -2 LEU C C -2 178.154 178.154 178.604 -0.450 19774 3315 1 12 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.819 -0.227 19774 3316 1 12 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.727 0.501 19774 3317 1 12 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.400 0.304 19774 3318 1 12 . 1 1 -1 -1 GLY N N -1 110.002 110.002 105.325 4.677 19774 3319 1 12 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.786 -0.318 19774 3320 1 12 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.950 0.373 19774 3321 1 12 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.158 0.390 19774 3322 1 12 . 1 1 75 75 LYS N N 75 123.250 123.250 123.462 -0.212 19774 3323 1 12 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.276 0.027 19774 3324 1 12 . 1 1 75 75 LYS C C 75 176.826 176.826 176.574 0.252 19774 3325 1 12 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.055 0.326 19774 3326 1 12 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.062 -0.188 19774 3327 1 12 . 1 1 75 75 LYS H H 75 8.447 8.447 8.234 0.213 19774 3328 1 12 . 1 1 76 76 ILE N N 76 123.138 123.138 123.288 -0.150 19774 3329 1 12 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.097 -0.005 19774 3330 1 12 . 1 1 76 76 ILE C C 76 176.311 176.311 176.481 -0.170 19774 3331 1 12 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.745 0.843 19774 3332 1 12 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.265 1.304 19774 3333 1 12 . 1 1 76 76 ILE H H 76 8.315 8.315 8.385 -0.070 19774 3334 1 12 . 1 1 77 77 ALA N N 77 127.035 127.035 130.686 -3.651 19774 3335 1 12 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.353 -0.095 19774 3336 1 12 . 1 1 77 77 ALA C C 77 177.642 177.642 177.029 0.613 19774 3337 1 12 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.819 1.016 19774 3338 1 12 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.702 -0.602 19774 3339 1 12 . 1 1 77 77 ALA H H 77 8.446 8.446 8.096 0.350 19774 3340 1 12 . 1 1 78 78 GLN N N 78 119.150 119.150 120.372 -1.222 19774 3341 1 12 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.360 -0.047 19774 3342 1 12 . 1 1 78 78 GLN C C 78 176.025 176.025 175.669 0.356 19774 3343 1 12 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.649 0.072 19774 3344 1 12 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.427 0.104 19774 3345 1 12 . 1 1 78 78 GLN H H 78 8.323 8.323 8.292 0.031 19774 3346 1 12 . 1 1 79 79 MET N N 79 122.456 122.456 122.354 0.102 19774 3347 1 12 . 1 1 79 79 MET HA H 79 4.619 4.619 4.562 0.057 19774 3348 1 12 . 1 1 79 79 MET C C 79 177.080 177.080 176.618 0.462 19774 3349 1 12 . 1 1 79 79 MET CA C 79 56.021 56.021 54.507 1.514 19774 3350 1 12 . 1 1 79 79 MET CB C 79 34.723 34.723 32.956 1.767 19774 3351 1 12 . 1 1 79 79 MET H H 79 8.410 8.410 8.327 0.083 19774 3352 1 12 . 1 1 80 80 THR N N 80 115.145 115.145 114.024 1.121 19774 3353 1 12 . 1 1 80 80 THR HA H 80 4.390 4.390 4.403 -0.013 19774 3354 1 12 . 1 1 80 80 THR C C 80 175.463 175.463 175.393 0.070 19774 3355 1 12 . 1 1 80 80 THR CA C 80 61.546 61.546 61.025 0.521 19774 3356 1 12 . 1 1 80 80 THR CB C 80 70.845 70.845 70.378 0.467 19774 3357 1 12 . 1 1 80 80 THR H H 80 8.915 8.915 8.061 0.854 19774 3358 1 12 . 1 1 81 81 GLU N N 81 122.254 122.254 120.958 1.296 19774 3359 1 12 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.981 0.026 19774 3360 1 12 . 1 1 81 81 GLU C C 81 178.734 178.734 179.017 -0.283 19774 3361 1 12 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.653 -0.855 19774 3362 1 12 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.257 0.137 19774 3363 1 12 . 1 1 81 81 GLU H H 81 9.076 9.076 8.921 0.155 19774 3364 1 12 . 1 1 82 82 GLU N N 82 119.436 119.436 119.133 0.303 19774 3365 1 12 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.081 0.042 19774 3366 1 12 . 1 1 82 82 GLU C C 82 179.545 179.545 178.933 0.612 19774 3367 1 12 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.606 0.219 19774 3368 1 12 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.295 -0.027 19774 3369 1 12 . 1 1 82 82 GLU H H 82 8.839 8.839 8.730 0.109 19774 3370 1 12 . 1 1 83 83 GLU N N 83 121.597 121.597 118.907 2.690 19774 3371 1 12 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.056 0.046 19774 3372 1 12 . 1 1 83 83 GLU C C 83 179.440 179.440 179.484 -0.044 19774 3373 1 12 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.344 -0.441 19774 3374 1 12 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.260 0.767 19774 3375 1 12 . 1 1 83 83 GLU H H 83 8.029 8.029 7.599 0.430 19774 3376 1 12 . 1 1 84 84 GLN N N 84 120.565 120.565 119.175 1.390 19774 3377 1 12 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.123 -0.094 19774 3378 1 12 . 1 1 84 84 GLN C C 84 178.689 178.689 178.484 0.205 19774 3379 1 12 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.497 0.522 19774 3380 1 12 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.423 0.190 19774 3381 1 12 . 1 1 84 84 GLN H H 84 8.575 8.575 7.852 0.723 19774 3382 1 12 . 1 1 85 85 PHE N N 85 121.525 121.525 120.874 0.651 19774 3383 1 12 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.106 0.123 19774 3384 1 12 . 1 1 85 85 PHE C C 85 177.713 177.713 176.731 0.982 19774 3385 1 12 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.982 -0.659 19774 3386 1 12 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.982 -0.262 19774 3387 1 12 . 1 1 85 85 PHE H H 85 8.483 8.483 8.437 0.046 19774 3388 1 12 . 1 1 86 86 ALA N N 86 121.849 121.849 122.085 -0.236 19774 3389 1 12 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.878 0.266 19774 3390 1 12 . 1 1 86 86 ALA C C 86 180.283 180.283 179.140 1.143 19774 3391 1 12 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.991 -0.296 19774 3392 1 12 . 1 1 86 86 ALA CB C 86 18.212 18.212 17.996 0.216 19774 3393 1 12 . 1 1 86 86 ALA H H 86 8.072 8.072 8.477 -0.405 19774 3394 1 12 . 1 1 87 87 LEU N N 87 120.459 120.459 119.894 0.565 19774 3395 1 12 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.892 0.326 19774 3396 1 12 . 1 1 87 87 LEU C C 87 178.387 178.387 178.357 0.030 19774 3397 1 12 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.860 -0.603 19774 3398 1 12 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.802 0.073 19774 3399 1 12 . 1 1 87 87 LEU H H 87 8.010 8.010 7.748 0.262 19774 3400 1 12 . 1 1 88 88 ALA N N 88 122.123 122.123 122.010 0.113 19774 3401 1 12 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.936 0.198 19774 3402 1 12 . 1 1 88 88 ALA C C 88 180.241 180.241 179.687 0.554 19774 3403 1 12 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.116 -0.624 19774 3404 1 12 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.029 -0.170 19774 3405 1 12 . 1 1 88 88 ALA H H 88 7.981 7.981 7.632 0.349 19774 3406 1 12 . 1 1 89 89 LEU N N 89 119.923 119.923 118.435 1.488 19774 3407 1 12 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.909 0.225 19774 3408 1 12 . 1 1 89 89 LEU C C 89 178.981 178.981 178.962 0.019 19774 3409 1 12 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.465 -0.460 19774 3410 1 12 . 1 1 89 89 LEU CB C 89 41.945 41.945 40.684 1.261 19774 3411 1 12 . 1 1 89 89 LEU H H 89 7.897 7.897 7.483 0.414 19774 3412 1 12 . 1 1 90 90 LYS N N 90 120.679 120.679 120.445 0.234 19774 3413 1 12 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.933 0.243 19774 3414 1 12 . 1 1 90 90 LYS C C 90 178.799 178.799 179.238 -0.439 19774 3415 1 12 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.554 -1.355 19774 3416 1 12 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.431 0.013 19774 3417 1 12 . 1 1 90 90 LYS H H 90 7.913 7.913 8.139 -0.226 19774 3418 1 12 . 1 1 91 91 MET N N 91 118.958 118.958 118.213 0.745 19774 3419 1 12 . 1 1 91 91 MET HA H 91 4.366 4.366 4.211 0.155 19774 3420 1 12 . 1 1 91 91 MET C C 91 177.925 177.925 178.584 -0.659 19774 3421 1 12 . 1 1 91 91 MET CA C 91 57.121 57.121 57.595 -0.474 19774 3422 1 12 . 1 1 91 91 MET CB C 91 32.242 32.242 31.411 0.831 19774 3423 1 12 . 1 1 91 91 MET H H 91 8.392 8.392 8.388 0.004 19774 3424 1 12 . 1 1 92 92 SER N N 92 116.458 116.458 115.823 0.635 19774 3425 1 12 . 1 1 92 92 SER HA H 92 4.376 4.376 4.386 -0.010 19774 3426 1 12 . 1 1 92 92 SER C C 92 175.910 175.910 177.101 -1.191 19774 3427 1 12 . 1 1 92 92 SER CA C 92 60.139 60.139 61.379 -1.240 19774 3428 1 12 . 1 1 92 92 SER CB C 92 63.292 63.292 62.667 0.625 19774 3429 1 12 . 1 1 92 92 SER H H 92 8.268 8.268 7.725 0.543 19774 3430 1 12 . 1 1 93 93 GLU N N 93 122.379 122.379 121.377 1.002 19774 3431 1 12 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.057 0.151 19774 3432 1 12 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.106 -1.113 19774 3433 1 12 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.306 0.479 19774 3434 1 12 . 1 1 93 93 GLU H H 93 8.255 8.255 7.889 0.366 19774 3435 1 12 . 1 1 94 94 GLN C C 94 177.043 177.043 178.791 -1.748 19774 3436 1 12 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.675 -1.565 19774 3437 1 12 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.338 0.633 19774 3438 1 12 . 1 1 95 95 GLU N N 95 121.162 121.162 119.276 1.886 19774 3439 1 12 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.320 -0.154 19774 3440 1 12 . 1 1 95 95 GLU C C 95 177.150 177.150 178.269 -1.119 19774 3441 1 12 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.835 -1.256 19774 3442 1 12 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.483 0.499 19774 3443 1 12 . 1 1 95 95 GLU H H 95 8.294 8.294 7.920 0.374 19774 3444 1 12 . 1 1 96 96 ALA N N 96 123.599 123.599 120.522 3.077 19774 3445 1 12 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.134 0.179 19774 3446 1 12 . 1 1 96 96 ALA C C 96 178.276 178.276 180.195 -1.919 19774 3447 1 12 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.553 -1.371 19774 3448 1 12 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.657 0.028 19774 3449 1 12 . 1 1 96 96 ALA H H 96 8.209 8.209 7.509 0.700 19774 3450 1 12 . 1 1 97 97 ARG N N 97 119.759 119.759 116.685 3.074 19774 3451 1 12 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.120 0.172 19774 3452 1 12 . 1 1 97 97 ARG C C 97 176.904 176.904 177.851 -0.947 19774 3453 1 12 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.551 -0.849 19774 3454 1 12 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.649 1.221 19774 3455 1 12 . 1 1 97 97 ARG H H 97 8.123 8.123 7.838 0.285 19774 3456 1 12 . 1 1 98 98 GLU N N 98 121.995 121.995 116.671 5.324 19774 3457 1 12 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.171 0.089 19774 3458 1 12 . 1 1 98 98 GLU C C 98 176.939 176.939 176.767 0.172 19774 3459 1 12 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.990 -0.041 19774 3460 1 12 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.824 0.227 19774 3461 1 12 . 1 1 98 98 GLU H H 98 8.382 8.382 7.601 0.781 19774 3462 1 12 . 1 1 99 99 VAL N N 99 121.412 121.412 120.359 1.053 19774 3463 1 12 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.883 0.188 19774 3464 1 12 . 1 1 99 99 VAL C C 99 176.276 176.276 175.312 0.964 19774 3465 1 12 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.925 0.011 19774 3466 1 12 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.154 0.596 19774 3467 1 12 . 1 1 99 99 VAL H H 99 8.269 8.269 7.154 1.115 19774 3468 1 12 . 1 1 100 100 ASN N N 100 122.455 122.455 126.985 -4.530 19774 3469 1 12 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.811 0.008 19774 3470 1 12 . 1 1 100 100 ASN C C 100 175.671 175.671 176.047 -0.376 19774 3471 1 12 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.143 0.282 19774 3472 1 12 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.367 -0.327 19774 3473 1 12 . 1 1 100 100 ASN H H 100 8.642 8.642 8.731 -0.089 19774 3474 1 12 . 1 1 101 101 SER N N 101 117.265 117.265 121.586 -4.321 19774 3475 1 12 . 1 1 101 101 SER HA H 101 4.408 4.408 4.243 0.165 19774 3476 1 12 . 1 1 101 101 SER C C 101 175.147 175.147 175.930 -0.783 19774 3477 1 12 . 1 1 101 101 SER CA C 101 59.187 59.187 60.878 -1.691 19774 3478 1 12 . 1 1 101 101 SER CB C 101 63.672 63.672 63.360 0.312 19774 3479 1 12 . 1 1 101 101 SER H H 101 8.548 8.548 8.945 -0.397 19774 3480 1 12 . 1 1 102 102 GLN N N 102 122.686 122.686 120.950 1.736 19774 3481 1 12 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.109 0.183 19774 3482 1 12 . 1 1 102 102 GLN C C 102 177.127 177.127 177.856 -0.729 19774 3483 1 12 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.392 -1.007 19774 3484 1 12 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.661 1.139 19774 3485 1 12 . 1 1 102 102 GLN H H 102 8.596 8.596 8.601 -0.005 19774 3486 1 12 . 1 1 103 103 GLU N N 103 121.071 121.071 119.553 1.518 19774 3487 1 12 . 1 1 103 103 GLU HA H 103 4.176 4.176 3.943 0.233 19774 3488 1 12 . 1 1 103 103 GLU C C 103 178.080 178.080 178.861 -0.781 19774 3489 1 12 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.837 -1.536 19774 3490 1 12 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.099 0.602 19774 3491 1 12 . 1 1 103 103 GLU H H 103 8.502 8.502 8.116 0.386 19774 3492 1 12 . 1 1 104 104 GLU N N 104 121.073 121.073 117.847 3.226 19774 3493 1 12 . 1 1 104 104 GLU C C 104 178.186 178.186 178.817 -0.631 19774 3494 1 12 . 1 1 104 104 GLU H H 104 8.389 8.389 7.787 0.602 19774 3495 1 12 . 1 1 105 105 GLU N N 105 121.561 121.561 120.843 0.718 19774 3496 1 12 . 1 1 105 105 GLU C C 105 178.380 178.380 178.719 -0.339 19774 3497 1 12 . 1 1 105 105 GLU H H 105 8.454 8.454 8.193 0.261 19774 3498 1 12 . 1 1 106 106 GLU N N 106 120.852 120.852 118.168 2.684 19774 3499 1 12 . 1 1 106 106 GLU C C 106 178.758 178.758 178.913 -0.155 19774 3500 1 12 . 1 1 106 106 GLU H H 106 8.473 8.473 8.443 0.030 19774 3501 1 12 . 1 1 107 107 GLU N N 107 120.445 120.445 120.855 -0.410 19774 3502 1 12 . 1 1 107 107 GLU C C 107 178.661 178.661 178.575 0.086 19774 3503 1 12 . 1 1 107 107 GLU H H 107 8.396 8.396 7.747 0.649 19774 3504 1 12 . 1 1 108 108 GLU N N 108 121.089 121.089 119.856 1.233 19774 3505 1 12 . 1 1 108 108 GLU C C 108 178.454 178.454 179.126 -0.672 19774 3506 1 12 . 1 1 108 108 GLU H H 108 8.139 8.139 7.811 0.328 19774 3507 1 12 . 1 1 109 109 LEU N N 109 120.552 120.552 120.270 0.282 19774 3508 1 12 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.084 0.029 19774 3509 1 12 . 1 1 109 109 LEU C C 109 180.104 180.104 179.052 1.052 19774 3510 1 12 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.828 0.082 19774 3511 1 12 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.854 -0.163 19774 3512 1 12 . 1 1 109 109 LEU H H 109 8.097 8.097 7.671 0.426 19774 3513 1 12 . 1 1 110 110 LEU N N 110 121.275 121.275 120.613 0.662 19774 3514 1 12 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.899 0.340 19774 3515 1 12 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.330 -0.835 19774 3516 1 12 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.758 -0.102 19774 3517 1 12 . 1 1 110 110 LEU H H 110 7.964 7.964 8.509 -0.545 19774 3518 1 12 . 1 1 112 112 LYS N N 112 120.602 120.602 120.278 0.324 19774 3519 1 12 . 1 1 112 112 LYS C C 112 177.904 177.904 178.493 -0.589 19774 3520 1 12 . 1 1 112 112 LYS H H 112 8.279 8.279 7.632 0.647 19774 3521 1 12 . 1 1 113 113 ALA N N 113 122.972 122.972 122.256 0.716 19774 3522 1 12 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.128 0.154 19774 3523 1 12 . 1 1 113 113 ALA C C 113 180.557 180.557 180.006 0.551 19774 3524 1 12 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.847 -0.371 19774 3525 1 12 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.248 0.018 19774 3526 1 12 . 1 1 113 113 ALA H H 113 7.992 7.992 7.675 0.317 19774 3527 1 12 . 1 1 114 114 ILE N N 114 120.299 120.299 119.276 1.023 19774 3528 1 12 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.682 0.167 19774 3529 1 12 . 1 1 114 114 ILE C C 114 178.314 178.314 177.708 0.606 19774 3530 1 12 . 1 1 114 114 ILE CA C 114 63.783 63.783 64.368 -0.585 19774 3531 1 12 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.599 0.732 19774 3532 1 12 . 1 1 114 114 ILE H H 114 8.231 8.231 7.570 0.661 19774 3533 1 12 . 1 1 115 115 ALA N N 115 124.227 124.227 122.061 2.166 19774 3534 1 12 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.952 0.256 19774 3535 1 12 . 1 1 115 115 ALA C C 115 179.824 179.824 179.878 -0.054 19774 3536 1 12 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.483 -0.926 19774 3537 1 12 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.963 0.318 19774 3538 1 12 . 1 1 115 115 ALA H H 115 8.087 8.087 7.803 0.284 19774 3539 1 12 . 1 1 116 116 GLU N N 116 118.344 118.344 118.846 -0.502 19774 3540 1 12 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.004 0.204 19774 3541 1 12 . 1 1 116 116 GLU C C 116 178.142 178.142 179.400 -1.258 19774 3542 1 12 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.133 -1.145 19774 3543 1 12 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.671 -0.018 19774 3544 1 12 . 1 1 116 116 GLU H H 116 8.322 8.322 8.178 0.144 19774 3545 1 12 . 1 1 117 117 SER N N 117 115.778 115.778 116.340 -0.562 19774 3546 1 12 . 1 1 117 117 SER HA H 117 4.380 4.380 4.154 0.226 19774 3547 1 12 . 1 1 117 117 SER C C 117 175.595 175.595 176.028 -0.433 19774 3548 1 12 . 1 1 117 117 SER CA C 117 59.926 59.926 61.571 -1.645 19774 3549 1 12 . 1 1 117 117 SER CB C 117 63.351 63.351 63.176 0.175 19774 3550 1 12 . 1 1 117 117 SER H H 117 8.050 8.050 7.856 0.194 19774 3551 1 12 . 1 1 118 118 LEU N N 118 122.792 122.792 119.197 3.595 19774 3552 1 12 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.080 0.202 19774 3553 1 12 . 1 1 118 118 LEU C C 118 177.998 177.998 179.012 -1.014 19774 3554 1 12 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.380 -1.239 19774 3555 1 12 . 1 1 118 118 LEU CB C 118 42.074 42.074 42.104 -0.030 19774 3556 1 12 . 1 1 118 118 LEU H H 118 7.984 7.984 7.963 0.021 19774 3557 1 12 . 1 1 119 119 ASN N N 119 118.030 118.030 117.195 0.835 19774 3558 1 12 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.524 0.179 19774 3559 1 12 . 1 1 119 119 ASN C C 119 175.640 175.640 176.298 -0.658 19774 3560 1 12 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.845 -2.084 19774 3561 1 12 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.594 0.229 19774 3562 1 12 . 1 1 119 119 ASN H H 119 8.199 8.199 7.933 0.266 19774 3563 1 12 . 1 1 120 120 SER N N 120 115.677 115.677 112.561 3.116 19774 3564 1 12 . 1 1 120 120 SER HA H 120 4.473 4.473 4.533 -0.060 19774 3565 1 12 . 1 1 120 120 SER CA C 120 58.803 58.803 57.450 1.353 19774 3566 1 12 . 1 1 120 120 SER CB C 120 63.708 63.708 63.621 0.087 19774 3567 1 12 . 1 1 120 120 SER H H 120 8.200 8.200 7.714 0.486 19774 3568 1 12 . 1 1 123 123 PRO C C 123 177.186 177.186 176.179 1.007 19774 3569 1 12 . 1 1 123 123 PRO CA C 123 63.358 63.358 63.183 0.175 19774 3570 1 12 . 1 1 123 123 PRO CB C 123 32.163 32.163 31.892 0.271 19774 3571 1 12 . 1 1 124 124 SER N N 124 116.200 116.200 118.339 -2.139 19774 3572 1 12 . 1 1 124 124 SER HA H 124 4.990 4.990 4.389 0.601 19774 3573 1 12 . 1 1 124 124 SER C C 124 174.548 174.548 174.756 -0.208 19774 3574 1 12 . 1 1 124 124 SER CA C 124 58.600 58.600 58.519 0.081 19774 3575 1 12 . 1 1 124 124 SER CB C 124 63.727 63.727 63.731 -0.004 19774 3576 1 12 . 1 1 124 124 SER H H 124 8.596 8.596 8.310 0.286 19774 3577 1 12 . 1 1 125 125 ASP N N 125 122.649 122.649 123.603 -0.954 19774 3578 1 12 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.571 0.037 19774 3579 1 12 . 1 1 125 125 ASP C C 125 176.378 176.378 177.106 -0.728 19774 3580 1 12 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.649 -0.402 19774 3581 1 12 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.496 -0.416 19774 3582 1 12 . 1 1 125 125 ASP H H 125 8.427 8.427 8.514 -0.087 19774 3583 1 12 . 1 1 126 126 ALA N N 126 124.975 124.975 125.918 -0.943 19774 3584 1 12 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.091 0.212 19774 3585 1 12 . 1 1 126 126 ALA C C 126 178.138 178.138 178.410 -0.272 19774 3586 1 12 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.267 -1.200 19774 3587 1 12 . 1 1 126 126 ALA CB C 126 18.919 18.919 19.046 -0.127 19774 3588 1 12 . 1 1 126 126 ALA H H 126 8.401 8.401 8.532 -0.131 19774 3589 1 12 . 1 1 127 127 SER N N 127 114.892 114.892 113.090 1.802 19774 3590 1 12 . 1 1 127 127 SER HA H 127 4.380 4.380 4.457 -0.077 19774 3591 1 12 . 1 1 127 127 SER C C 127 174.582 174.582 174.654 -0.072 19774 3592 1 12 . 1 1 127 127 SER CA C 127 58.826 58.826 58.660 0.166 19774 3593 1 12 . 1 1 127 127 SER CB C 127 63.662 63.662 63.510 0.152 19774 3594 1 12 . 1 1 127 127 SER H H 127 8.403 8.403 8.220 0.183 19774 3595 1 12 . 1 1 128 128 ALA N N 128 125.815 125.815 122.299 3.516 19774 3596 1 12 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.026 0.363 19774 3597 1 12 . 1 1 128 128 ALA C C 128 177.957 177.957 176.822 1.135 19774 3598 1 12 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.789 -1.077 19774 3599 1 12 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.167 2.077 19774 3600 1 12 . 1 1 128 128 ALA H H 128 8.266 8.266 7.871 0.395 19774 3601 1 12 . 1 1 129 129 THR N N 129 113.766 113.766 115.065 -1.299 19774 3602 1 12 . 1 1 129 129 THR HA H 129 4.310 4.310 4.320 -0.010 19774 3603 1 12 . 1 1 129 129 THR C C 129 174.414 174.414 174.050 0.364 19774 3604 1 12 . 1 1 129 129 THR CA C 129 62.010 62.010 61.019 0.991 19774 3605 1 12 . 1 1 129 129 THR CB C 129 69.748 69.748 69.845 -0.097 19774 3606 1 12 . 1 1 129 129 THR H H 129 8.200 8.200 8.018 0.182 19774 3607 1 12 . 1 1 130 130 ARG N N 130 124.611 124.611 125.143 -0.532 19774 3608 1 12 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.410 0.040 19774 3609 1 12 . 1 1 130 130 ARG C C 130 175.443 175.443 176.380 -0.937 19774 3610 1 12 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.166 -0.187 19774 3611 1 12 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.714 0.189 19774 3612 1 12 . 1 1 130 130 ARG H H 130 8.457 8.457 8.553 -0.096 19774 3613 1 13 . 1 1 -2 -2 LEU N N -2 122.796 122.796 118.991 3.805 19774 3614 1 13 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.100 0.245 19774 3615 1 13 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.939 0.215 19774 3616 1 13 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.766 -0.174 19774 3617 1 13 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.793 0.435 19774 3618 1 13 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.693 1.011 19774 3619 1 13 . 1 1 -1 -1 GLY N N -1 110.002 110.002 109.019 0.983 19774 3620 1 13 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.665 -0.197 19774 3621 1 13 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.888 0.435 19774 3622 1 13 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.768 -0.220 19774 3623 1 13 . 1 1 75 75 LYS N N 75 123.250 123.250 122.356 0.894 19774 3624 1 13 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.436 -0.133 19774 3625 1 13 . 1 1 75 75 LYS C C 75 176.826 176.826 176.452 0.374 19774 3626 1 13 . 1 1 75 75 LYS CA C 75 56.381 56.381 55.819 0.562 19774 3627 1 13 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.046 -0.172 19774 3628 1 13 . 1 1 75 75 LYS H H 75 8.447 8.447 8.202 0.245 19774 3629 1 13 . 1 1 76 76 ILE N N 76 123.138 123.138 121.495 1.643 19774 3630 1 13 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.065 0.027 19774 3631 1 13 . 1 1 76 76 ILE C C 76 176.311 176.311 176.325 -0.014 19774 3632 1 13 . 1 1 76 76 ILE CA C 76 61.588 61.588 61.171 0.417 19774 3633 1 13 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.662 0.907 19774 3634 1 13 . 1 1 76 76 ILE H H 76 8.315 8.315 8.383 -0.068 19774 3635 1 13 . 1 1 77 77 ALA N N 77 127.035 127.035 130.366 -3.331 19774 3636 1 13 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.512 -0.254 19774 3637 1 13 . 1 1 77 77 ALA C C 77 177.642 177.642 176.846 0.796 19774 3638 1 13 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.272 1.563 19774 3639 1 13 . 1 1 77 77 ALA CB C 77 19.100 19.100 20.010 -0.910 19774 3640 1 13 . 1 1 77 77 ALA H H 77 8.446 8.446 8.026 0.420 19774 3641 1 13 . 1 1 78 78 GLN N N 78 119.150 119.150 119.463 -0.313 19774 3642 1 13 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.252 0.061 19774 3643 1 13 . 1 1 78 78 GLN C C 78 176.025 176.025 175.807 0.218 19774 3644 1 13 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.013 -0.292 19774 3645 1 13 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.360 0.171 19774 3646 1 13 . 1 1 78 78 GLN H H 78 8.323 8.323 8.327 -0.004 19774 3647 1 13 . 1 1 79 79 MET N N 79 122.456 122.456 122.829 -0.373 19774 3648 1 13 . 1 1 79 79 MET HA H 79 4.619 4.619 4.446 0.173 19774 3649 1 13 . 1 1 79 79 MET C C 79 177.080 177.080 176.599 0.481 19774 3650 1 13 . 1 1 79 79 MET CA C 79 56.021 56.021 55.550 0.471 19774 3651 1 13 . 1 1 79 79 MET CB C 79 34.723 34.723 32.806 1.917 19774 3652 1 13 . 1 1 79 79 MET H H 79 8.410 8.410 8.475 -0.065 19774 3653 1 13 . 1 1 80 80 THR N N 80 115.145 115.145 114.922 0.223 19774 3654 1 13 . 1 1 80 80 THR HA H 80 4.390 4.390 4.463 -0.073 19774 3655 1 13 . 1 1 80 80 THR C C 80 175.463 175.463 175.475 -0.012 19774 3656 1 13 . 1 1 80 80 THR CA C 80 61.546 61.546 61.168 0.378 19774 3657 1 13 . 1 1 80 80 THR CB C 80 70.845 70.845 70.260 0.586 19774 3658 1 13 . 1 1 80 80 THR H H 80 8.915 8.915 8.062 0.853 19774 3659 1 13 . 1 1 81 81 GLU N N 81 122.254 122.254 121.808 0.446 19774 3660 1 13 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.018 -0.011 19774 3661 1 13 . 1 1 81 81 GLU C C 81 178.734 178.734 179.227 -0.493 19774 3662 1 13 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.050 -0.252 19774 3663 1 13 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.559 -0.165 19774 3664 1 13 . 1 1 81 81 GLU H H 81 9.076 9.076 8.890 0.186 19774 3665 1 13 . 1 1 82 82 GLU N N 82 119.436 119.436 118.687 0.749 19774 3666 1 13 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.114 0.009 19774 3667 1 13 . 1 1 82 82 GLU C C 82 179.545 179.545 178.978 0.567 19774 3668 1 13 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.198 0.627 19774 3669 1 13 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.308 -0.040 19774 3670 1 13 . 1 1 82 82 GLU H H 82 8.839 8.839 8.617 0.222 19774 3671 1 13 . 1 1 83 83 GLU N N 83 121.597 121.597 119.848 1.749 19774 3672 1 13 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.058 0.044 19774 3673 1 13 . 1 1 83 83 GLU C C 83 179.440 179.440 178.661 0.779 19774 3674 1 13 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.069 -0.166 19774 3675 1 13 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.403 0.624 19774 3676 1 13 . 1 1 83 83 GLU H H 83 8.029 8.029 7.670 0.359 19774 3677 1 13 . 1 1 84 84 GLN N N 84 120.565 120.565 119.902 0.663 19774 3678 1 13 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.051 -0.022 19774 3679 1 13 . 1 1 84 84 GLN C C 84 178.689 178.689 178.137 0.552 19774 3680 1 13 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.941 0.078 19774 3681 1 13 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.642 -0.028 19774 3682 1 13 . 1 1 84 84 GLN H H 84 8.575 8.575 7.918 0.657 19774 3683 1 13 . 1 1 85 85 PHE N N 85 121.525 121.525 120.365 1.160 19774 3684 1 13 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.111 0.118 19774 3685 1 13 . 1 1 85 85 PHE C C 85 177.713 177.713 176.862 0.851 19774 3686 1 13 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.918 -0.595 19774 3687 1 13 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.910 -0.190 19774 3688 1 13 . 1 1 85 85 PHE H H 85 8.483 8.483 8.043 0.440 19774 3689 1 13 . 1 1 86 86 ALA N N 86 121.849 121.849 122.313 -0.464 19774 3690 1 13 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.909 0.235 19774 3691 1 13 . 1 1 86 86 ALA C C 86 180.283 180.283 179.404 0.879 19774 3692 1 13 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.983 -0.288 19774 3693 1 13 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.090 0.122 19774 3694 1 13 . 1 1 86 86 ALA H H 86 8.072 8.072 8.137 -0.065 19774 3695 1 13 . 1 1 87 87 LEU N N 87 120.459 120.459 119.635 0.824 19774 3696 1 13 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.890 0.328 19774 3697 1 13 . 1 1 87 87 LEU C C 87 178.387 178.387 178.490 -0.103 19774 3698 1 13 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.481 -0.224 19774 3699 1 13 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.953 -0.078 19774 3700 1 13 . 1 1 87 87 LEU H H 87 8.010 8.010 8.179 -0.169 19774 3701 1 13 . 1 1 88 88 ALA N N 88 122.123 122.123 121.614 0.509 19774 3702 1 13 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.922 0.212 19774 3703 1 13 . 1 1 88 88 ALA C C 88 180.241 180.241 179.496 0.745 19774 3704 1 13 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.980 -0.488 19774 3705 1 13 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.140 -0.281 19774 3706 1 13 . 1 1 88 88 ALA H H 88 7.981 7.981 7.654 0.327 19774 3707 1 13 . 1 1 89 89 LEU N N 89 119.923 119.923 118.451 1.472 19774 3708 1 13 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.816 0.318 19774 3709 1 13 . 1 1 89 89 LEU C C 89 178.981 178.981 179.337 -0.356 19774 3710 1 13 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.253 -0.249 19774 3711 1 13 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.365 0.580 19774 3712 1 13 . 1 1 89 89 LEU H H 89 7.897 7.897 7.396 0.501 19774 3713 1 13 . 1 1 90 90 LYS N N 90 120.679 120.679 118.966 1.713 19774 3714 1 13 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.892 0.284 19774 3715 1 13 . 1 1 90 90 LYS C C 90 178.799 178.799 179.077 -0.278 19774 3716 1 13 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.691 -1.492 19774 3717 1 13 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.246 0.197 19774 3718 1 13 . 1 1 90 90 LYS H H 90 7.913 7.913 7.581 0.332 19774 3719 1 13 . 1 1 91 91 MET N N 91 118.958 118.958 118.690 0.268 19774 3720 1 13 . 1 1 91 91 MET HA H 91 4.366 4.366 4.406 -0.040 19774 3721 1 13 . 1 1 91 91 MET C C 91 177.925 177.925 178.586 -0.661 19774 3722 1 13 . 1 1 91 91 MET CA C 91 57.121 57.121 58.999 -1.878 19774 3723 1 13 . 1 1 91 91 MET CB C 91 32.242 32.242 32.910 -0.668 19774 3724 1 13 . 1 1 91 91 MET H H 91 8.392 8.392 7.910 0.482 19774 3725 1 13 . 1 1 92 92 SER N N 92 116.458 116.458 115.035 1.423 19774 3726 1 13 . 1 1 92 92 SER HA H 92 4.376 4.376 4.119 0.257 19774 3727 1 13 . 1 1 92 92 SER C C 92 175.910 175.910 176.944 -1.034 19774 3728 1 13 . 1 1 92 92 SER CA C 92 60.139 60.139 61.211 -1.072 19774 3729 1 13 . 1 1 92 92 SER CB C 92 63.292 63.292 62.873 0.419 19774 3730 1 13 . 1 1 92 92 SER H H 92 8.268 8.268 7.813 0.455 19774 3731 1 13 . 1 1 93 93 GLU N N 93 122.379 122.379 121.753 0.626 19774 3732 1 13 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.066 0.142 19774 3733 1 13 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.016 -1.023 19774 3734 1 13 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.071 0.715 19774 3735 1 13 . 1 1 93 93 GLU H H 93 8.255 8.255 7.753 0.502 19774 3736 1 13 . 1 1 94 94 GLN C C 94 177.043 177.043 178.700 -1.657 19774 3737 1 13 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.975 -1.866 19774 3738 1 13 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.602 0.369 19774 3739 1 13 . 1 1 95 95 GLU N N 95 121.162 121.162 119.193 1.969 19774 3740 1 13 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.308 -0.142 19774 3741 1 13 . 1 1 95 95 GLU C C 95 177.150 177.150 178.319 -1.169 19774 3742 1 13 . 1 1 95 95 GLU CA C 95 57.579 57.579 59.003 -1.424 19774 3743 1 13 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.297 0.685 19774 3744 1 13 . 1 1 95 95 GLU H H 95 8.294 8.294 7.772 0.522 19774 3745 1 13 . 1 1 96 96 ALA N N 96 123.599 123.599 120.664 2.935 19774 3746 1 13 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.164 0.149 19774 3747 1 13 . 1 1 96 96 ALA C C 96 178.276 178.276 180.169 -1.893 19774 3748 1 13 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.442 -1.260 19774 3749 1 13 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.635 0.050 19774 3750 1 13 . 1 1 96 96 ALA H H 96 8.209 8.209 7.508 0.701 19774 3751 1 13 . 1 1 97 97 ARG N N 97 119.759 119.759 117.032 2.727 19774 3752 1 13 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.087 0.205 19774 3753 1 13 . 1 1 97 97 ARG C C 97 176.904 176.904 177.808 -0.904 19774 3754 1 13 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.999 -1.297 19774 3755 1 13 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.776 1.094 19774 3756 1 13 . 1 1 97 97 ARG H H 97 8.123 8.123 8.126 -0.003 19774 3757 1 13 . 1 1 98 98 GLU N N 98 121.995 121.995 116.445 5.550 19774 3758 1 13 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.194 0.066 19774 3759 1 13 . 1 1 98 98 GLU C C 98 176.939 176.939 176.738 0.201 19774 3760 1 13 . 1 1 98 98 GLU CA C 98 56.950 56.950 57.073 -0.123 19774 3761 1 13 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.839 0.212 19774 3762 1 13 . 1 1 98 98 GLU H H 98 8.382 8.382 7.576 0.806 19774 3763 1 13 . 1 1 99 99 VAL N N 99 121.412 121.412 120.251 1.161 19774 3764 1 13 . 1 1 99 99 VAL HA H 99 4.071 4.071 4.011 0.060 19774 3765 1 13 . 1 1 99 99 VAL C C 99 176.276 176.276 175.528 0.748 19774 3766 1 13 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.089 0.847 19774 3767 1 13 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.092 0.658 19774 3768 1 13 . 1 1 99 99 VAL H H 99 8.269 8.269 7.381 0.888 19774 3769 1 13 . 1 1 100 100 ASN N N 100 122.455 122.455 125.539 -3.084 19774 3770 1 13 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.760 0.059 19774 3771 1 13 . 1 1 100 100 ASN C C 100 175.671 175.671 176.104 -0.433 19774 3772 1 13 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.391 0.034 19774 3773 1 13 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.400 -0.360 19774 3774 1 13 . 1 1 100 100 ASN H H 100 8.642 8.642 8.677 -0.035 19774 3775 1 13 . 1 1 101 101 SER N N 101 117.265 117.265 120.825 -3.560 19774 3776 1 13 . 1 1 101 101 SER HA H 101 4.408 4.408 4.201 0.207 19774 3777 1 13 . 1 1 101 101 SER C C 101 175.147 175.147 175.947 -0.800 19774 3778 1 13 . 1 1 101 101 SER CA C 101 59.187 59.187 61.005 -1.818 19774 3779 1 13 . 1 1 101 101 SER CB C 101 63.672 63.672 63.464 0.208 19774 3780 1 13 . 1 1 101 101 SER H H 101 8.548 8.548 8.952 -0.404 19774 3781 1 13 . 1 1 102 102 GLN N N 102 122.686 122.686 120.180 2.506 19774 3782 1 13 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.375 -0.083 19774 3783 1 13 . 1 1 102 102 GLN C C 102 177.127 177.127 178.194 -1.067 19774 3784 1 13 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.270 -0.885 19774 3785 1 13 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.791 1.009 19774 3786 1 13 . 1 1 102 102 GLN H H 102 8.596 8.596 8.723 -0.127 19774 3787 1 13 . 1 1 103 103 GLU N N 103 121.071 121.071 120.977 0.094 19774 3788 1 13 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.158 0.018 19774 3789 1 13 . 1 1 103 103 GLU C C 103 178.080 178.080 178.723 -0.643 19774 3790 1 13 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.967 -1.666 19774 3791 1 13 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.296 0.405 19774 3792 1 13 . 1 1 103 103 GLU H H 103 8.502 8.502 8.808 -0.306 19774 3793 1 13 . 1 1 104 104 GLU N N 104 121.073 121.073 118.075 2.998 19774 3794 1 13 . 1 1 104 104 GLU C C 104 178.186 178.186 179.302 -1.116 19774 3795 1 13 . 1 1 104 104 GLU H H 104 8.389 8.389 7.867 0.522 19774 3796 1 13 . 1 1 105 105 GLU N N 105 121.561 121.561 120.137 1.424 19774 3797 1 13 . 1 1 105 105 GLU C C 105 178.380 178.380 179.105 -0.725 19774 3798 1 13 . 1 1 105 105 GLU H H 105 8.454 8.454 7.760 0.694 19774 3799 1 13 . 1 1 106 106 GLU N N 106 120.852 120.852 119.483 1.369 19774 3800 1 13 . 1 1 106 106 GLU C C 106 178.758 178.758 179.233 -0.475 19774 3801 1 13 . 1 1 106 106 GLU H H 106 8.473 8.473 8.503 -0.030 19774 3802 1 13 . 1 1 107 107 GLU N N 107 120.445 120.445 118.929 1.516 19774 3803 1 13 . 1 1 107 107 GLU C C 107 178.661 178.661 179.253 -0.592 19774 3804 1 13 . 1 1 107 107 GLU H H 107 8.396 8.396 7.806 0.590 19774 3805 1 13 . 1 1 108 108 GLU N N 108 121.089 121.089 120.044 1.045 19774 3806 1 13 . 1 1 108 108 GLU C C 108 178.454 178.454 179.345 -0.891 19774 3807 1 13 . 1 1 108 108 GLU H H 108 8.139 8.139 7.703 0.436 19774 3808 1 13 . 1 1 109 109 LEU N N 109 120.552 120.552 121.107 -0.555 19774 3809 1 13 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.070 0.043 19774 3810 1 13 . 1 1 109 109 LEU C C 109 180.104 180.104 178.979 1.125 19774 3811 1 13 . 1 1 109 109 LEU CA C 109 57.910 57.910 58.244 -0.334 19774 3812 1 13 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.649 0.042 19774 3813 1 13 . 1 1 109 109 LEU H H 109 8.097 8.097 7.887 0.210 19774 3814 1 13 . 1 1 110 110 LEU N N 110 121.275 121.275 119.554 1.721 19774 3815 1 13 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.958 0.281 19774 3816 1 13 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.151 -0.656 19774 3817 1 13 . 1 1 110 110 LEU CB C 110 41.656 41.656 40.826 0.830 19774 3818 1 13 . 1 1 110 110 LEU H H 110 7.964 7.964 8.350 -0.386 19774 3819 1 13 . 1 1 112 112 LYS N N 112 120.602 120.602 119.477 1.125 19774 3820 1 13 . 1 1 112 112 LYS C C 112 177.904 177.904 178.470 -0.566 19774 3821 1 13 . 1 1 112 112 LYS H H 112 8.279 8.279 7.838 0.441 19774 3822 1 13 . 1 1 113 113 ALA N N 113 122.972 122.972 121.822 1.150 19774 3823 1 13 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.078 0.204 19774 3824 1 13 . 1 1 113 113 ALA C C 113 180.557 180.557 179.938 0.619 19774 3825 1 13 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.069 -0.593 19774 3826 1 13 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.133 0.133 19774 3827 1 13 . 1 1 113 113 ALA H H 113 7.992 7.992 7.915 0.077 19774 3828 1 13 . 1 1 114 114 ILE N N 114 120.299 120.299 119.355 0.944 19774 3829 1 13 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.710 0.139 19774 3830 1 13 . 1 1 114 114 ILE C C 114 178.314 178.314 178.089 0.225 19774 3831 1 13 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.052 -1.269 19774 3832 1 13 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.856 0.475 19774 3833 1 13 . 1 1 114 114 ILE H H 114 8.231 8.231 7.717 0.514 19774 3834 1 13 . 1 1 115 115 ALA N N 115 124.227 124.227 122.139 2.088 19774 3835 1 13 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.906 0.302 19774 3836 1 13 . 1 1 115 115 ALA C C 115 179.824 179.824 179.719 0.105 19774 3837 1 13 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.646 -1.089 19774 3838 1 13 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.094 0.187 19774 3839 1 13 . 1 1 115 115 ALA H H 115 8.087 8.087 8.194 -0.107 19774 3840 1 13 . 1 1 116 116 GLU N N 116 118.344 118.344 118.172 0.172 19774 3841 1 13 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.004 0.204 19774 3842 1 13 . 1 1 116 116 GLU C C 116 178.142 178.142 179.405 -1.263 19774 3843 1 13 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.178 -1.190 19774 3844 1 13 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.225 0.428 19774 3845 1 13 . 1 1 116 116 GLU H H 116 8.322 8.322 8.450 -0.128 19774 3846 1 13 . 1 1 117 117 SER N N 117 115.778 115.778 115.404 0.374 19774 3847 1 13 . 1 1 117 117 SER HA H 117 4.380 4.380 4.259 0.121 19774 3848 1 13 . 1 1 117 117 SER C C 117 175.595 175.595 176.750 -1.155 19774 3849 1 13 . 1 1 117 117 SER CA C 117 59.926 59.926 61.833 -1.907 19774 3850 1 13 . 1 1 117 117 SER CB C 117 63.351 63.351 63.107 0.244 19774 3851 1 13 . 1 1 117 117 SER H H 117 8.050 8.050 8.040 0.011 19774 3852 1 13 . 1 1 118 118 LEU N N 118 122.792 122.792 122.053 0.739 19774 3853 1 13 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.105 0.177 19774 3854 1 13 . 1 1 118 118 LEU C C 118 177.998 177.998 179.022 -1.024 19774 3855 1 13 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.194 -1.053 19774 3856 1 13 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.775 0.299 19774 3857 1 13 . 1 1 118 118 LEU H H 118 7.984 7.984 7.932 0.052 19774 3858 1 13 . 1 1 119 119 ASN N N 119 118.030 118.030 117.396 0.634 19774 3859 1 13 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.586 0.117 19774 3860 1 13 . 1 1 119 119 ASN C C 119 175.640 175.640 177.047 -1.407 19774 3861 1 13 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.462 -1.701 19774 3862 1 13 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.824 -0.001 19774 3863 1 13 . 1 1 119 119 ASN H H 119 8.199 8.199 8.237 -0.038 19774 3864 1 13 . 1 1 120 120 SER N N 120 115.677 115.677 114.243 1.434 19774 3865 1 13 . 1 1 120 120 SER HA H 120 4.473 4.473 4.482 -0.009 19774 3866 1 13 . 1 1 120 120 SER CA C 120 58.803 58.803 58.648 0.156 19774 3867 1 13 . 1 1 120 120 SER CB C 120 63.708 63.708 64.755 -1.047 19774 3868 1 13 . 1 1 120 120 SER H H 120 8.200 8.200 7.804 0.396 19774 3869 1 13 . 1 1 123 123 PRO C C 123 177.186 177.186 176.466 0.720 19774 3870 1 13 . 1 1 123 123 PRO CA C 123 63.358 63.358 63.082 0.276 19774 3871 1 13 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.249 -0.086 19774 3872 1 13 . 1 1 124 124 SER N N 124 116.200 116.200 118.280 -2.080 19774 3873 1 13 . 1 1 124 124 SER HA H 124 4.990 4.990 4.349 0.641 19774 3874 1 13 . 1 1 124 124 SER C C 124 174.548 174.548 174.527 0.021 19774 3875 1 13 . 1 1 124 124 SER CA C 124 58.600 58.600 57.917 0.682 19774 3876 1 13 . 1 1 124 124 SER CB C 124 63.727 63.727 63.971 -0.244 19774 3877 1 13 . 1 1 124 124 SER H H 124 8.596 8.596 8.135 0.461 19774 3878 1 13 . 1 1 125 125 ASP N N 125 122.649 122.649 122.143 0.506 19774 3879 1 13 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.702 -0.094 19774 3880 1 13 . 1 1 125 125 ASP C C 125 176.378 176.378 176.400 -0.022 19774 3881 1 13 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.458 -0.211 19774 3882 1 13 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.176 -0.096 19774 3883 1 13 . 1 1 125 125 ASP H H 125 8.427 8.427 8.531 -0.104 19774 3884 1 13 . 1 1 126 126 ALA N N 126 124.975 124.975 128.138 -3.163 19774 3885 1 13 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.145 0.158 19774 3886 1 13 . 1 1 126 126 ALA C C 126 178.138 178.138 178.350 -0.212 19774 3887 1 13 . 1 1 126 126 ALA CA C 126 53.067 53.067 53.831 -0.764 19774 3888 1 13 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.851 0.068 19774 3889 1 13 . 1 1 126 126 ALA H H 126 8.401 8.401 8.572 -0.171 19774 3890 1 13 . 1 1 127 127 SER N N 127 114.892 114.892 113.232 1.660 19774 3891 1 13 . 1 1 127 127 SER HA H 127 4.380 4.380 4.309 0.071 19774 3892 1 13 . 1 1 127 127 SER C C 127 174.582 174.582 174.925 -0.343 19774 3893 1 13 . 1 1 127 127 SER CA C 127 58.826 58.826 58.746 0.080 19774 3894 1 13 . 1 1 127 127 SER CB C 127 63.662 63.662 63.444 0.218 19774 3895 1 13 . 1 1 127 127 SER H H 127 8.403 8.403 7.920 0.483 19774 3896 1 13 . 1 1 128 128 ALA N N 128 125.815 125.815 124.152 1.663 19774 3897 1 13 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.065 0.324 19774 3898 1 13 . 1 1 128 128 ALA C C 128 177.957 177.957 176.627 1.330 19774 3899 1 13 . 1 1 128 128 ALA CA C 128 52.712 52.712 52.877 -0.165 19774 3900 1 13 . 1 1 128 128 ALA CB C 128 19.244 19.244 16.897 2.347 19774 3901 1 13 . 1 1 128 128 ALA H H 128 8.266 8.266 7.493 0.773 19774 3902 1 13 . 1 1 129 129 THR N N 129 113.766 113.766 113.368 0.398 19774 3903 1 13 . 1 1 129 129 THR HA H 129 4.310 4.310 4.218 0.092 19774 3904 1 13 . 1 1 129 129 THR C C 129 174.414 174.414 174.625 -0.211 19774 3905 1 13 . 1 1 129 129 THR CA C 129 62.010 62.010 61.838 0.172 19774 3906 1 13 . 1 1 129 129 THR CB C 129 69.748 69.748 69.643 0.105 19774 3907 1 13 . 1 1 129 129 THR H H 129 8.200 8.200 7.917 0.283 19774 3908 1 13 . 1 1 130 130 ARG N N 130 124.611 124.611 125.834 -1.223 19774 3909 1 13 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.586 -0.136 19774 3910 1 13 . 1 1 130 130 ARG C C 130 175.443 175.443 175.426 0.017 19774 3911 1 13 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.274 -0.295 19774 3912 1 13 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.337 -0.434 19774 3913 1 13 . 1 1 130 130 ARG H H 130 8.457 8.457 8.613 -0.156 19774 3914 1 14 . 1 1 -2 -2 LEU N N -2 122.796 122.796 120.840 1.956 19774 3915 1 14 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.131 0.214 19774 3916 1 14 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.786 0.368 19774 3917 1 14 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.747 -0.155 19774 3918 1 14 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.459 0.769 19774 3919 1 14 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.673 1.031 19774 3920 1 14 . 1 1 -1 -1 GLY N N -1 110.002 110.002 110.586 -0.584 19774 3921 1 14 . 1 1 -1 -1 GLY C C -1 174.468 174.468 175.069 -0.601 19774 3922 1 14 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.285 0.038 19774 3923 1 14 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.814 -0.266 19774 3924 1 14 . 1 1 75 75 LYS N N 75 123.250 123.250 122.470 0.780 19774 3925 1 14 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.359 -0.056 19774 3926 1 14 . 1 1 75 75 LYS C C 75 176.826 176.826 176.112 0.714 19774 3927 1 14 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.283 0.098 19774 3928 1 14 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.892 -0.018 19774 3929 1 14 . 1 1 75 75 LYS H H 75 8.447 8.447 8.378 0.069 19774 3930 1 14 . 1 1 76 76 ILE N N 76 123.138 123.138 122.309 0.829 19774 3931 1 14 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.173 -0.081 19774 3932 1 14 . 1 1 76 76 ILE C C 76 176.311 176.311 176.276 0.035 19774 3933 1 14 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.903 0.685 19774 3934 1 14 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.591 -0.022 19774 3935 1 14 . 1 1 76 76 ILE H H 76 8.315 8.315 8.111 0.204 19774 3936 1 14 . 1 1 77 77 ALA N N 77 127.035 127.035 129.985 -2.950 19774 3937 1 14 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.271 -0.013 19774 3938 1 14 . 1 1 77 77 ALA C C 77 177.642 177.642 177.220 0.422 19774 3939 1 14 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.765 1.070 19774 3940 1 14 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.366 -0.266 19774 3941 1 14 . 1 1 77 77 ALA H H 77 8.446 8.446 8.177 0.269 19774 3942 1 14 . 1 1 78 78 GLN N N 78 119.150 119.150 119.901 -0.751 19774 3943 1 14 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.138 0.175 19774 3944 1 14 . 1 1 78 78 GLN C C 78 176.025 176.025 175.493 0.532 19774 3945 1 14 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.505 -0.784 19774 3946 1 14 . 1 1 78 78 GLN CB C 78 29.531 29.531 28.892 0.639 19774 3947 1 14 . 1 1 78 78 GLN H H 78 8.323 8.323 8.349 -0.026 19774 3948 1 14 . 1 1 79 79 MET N N 79 122.456 122.456 122.013 0.443 19774 3949 1 14 . 1 1 79 79 MET HA H 79 4.619 4.619 4.639 -0.020 19774 3950 1 14 . 1 1 79 79 MET C C 79 177.080 177.080 176.408 0.672 19774 3951 1 14 . 1 1 79 79 MET CA C 79 56.021 56.021 54.953 1.068 19774 3952 1 14 . 1 1 79 79 MET CB C 79 34.723 34.723 33.718 1.005 19774 3953 1 14 . 1 1 79 79 MET H H 79 8.410 8.410 8.014 0.396 19774 3954 1 14 . 1 1 80 80 THR N N 80 115.145 115.145 114.242 0.903 19774 3955 1 14 . 1 1 80 80 THR HA H 80 4.390 4.390 4.443 -0.053 19774 3956 1 14 . 1 1 80 80 THR C C 80 175.463 175.463 175.780 -0.317 19774 3957 1 14 . 1 1 80 80 THR CA C 80 61.546 61.546 60.917 0.629 19774 3958 1 14 . 1 1 80 80 THR CB C 80 70.845 70.845 70.315 0.530 19774 3959 1 14 . 1 1 80 80 THR H H 80 8.915 8.915 8.447 0.468 19774 3960 1 14 . 1 1 81 81 GLU N N 81 122.254 122.254 120.651 1.603 19774 3961 1 14 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.980 0.027 19774 3962 1 14 . 1 1 81 81 GLU C C 81 178.734 178.734 178.802 -0.068 19774 3963 1 14 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.386 -0.588 19774 3964 1 14 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.106 0.288 19774 3965 1 14 . 1 1 81 81 GLU H H 81 9.076 9.076 8.928 0.148 19774 3966 1 14 . 1 1 82 82 GLU N N 82 119.436 119.436 118.278 1.158 19774 3967 1 14 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.131 -0.008 19774 3968 1 14 . 1 1 82 82 GLU C C 82 179.545 179.545 179.099 0.446 19774 3969 1 14 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.360 0.465 19774 3970 1 14 . 1 1 82 82 GLU CB C 82 29.268 29.268 28.931 0.337 19774 3971 1 14 . 1 1 82 82 GLU H H 82 8.839 8.839 8.796 0.043 19774 3972 1 14 . 1 1 83 83 GLU N N 83 121.597 121.597 120.169 1.428 19774 3973 1 14 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.020 0.082 19774 3974 1 14 . 1 1 83 83 GLU C C 83 179.440 179.440 179.065 0.375 19774 3975 1 14 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.378 -0.475 19774 3976 1 14 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.520 0.507 19774 3977 1 14 . 1 1 83 83 GLU H H 83 8.029 8.029 7.589 0.440 19774 3978 1 14 . 1 1 84 84 GLN N N 84 120.565 120.565 118.463 2.102 19774 3979 1 14 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.066 -0.037 19774 3980 1 14 . 1 1 84 84 GLN C C 84 178.689 178.689 178.479 0.210 19774 3981 1 14 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.854 0.165 19774 3982 1 14 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.436 0.177 19774 3983 1 14 . 1 1 84 84 GLN H H 84 8.575 8.575 7.681 0.894 19774 3984 1 14 . 1 1 85 85 PHE N N 85 121.525 121.525 120.809 0.716 19774 3985 1 14 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.092 0.137 19774 3986 1 14 . 1 1 85 85 PHE C C 85 177.713 177.713 176.749 0.964 19774 3987 1 14 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.143 -0.820 19774 3988 1 14 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.841 -0.121 19774 3989 1 14 . 1 1 85 85 PHE H H 85 8.483 8.483 7.999 0.484 19774 3990 1 14 . 1 1 86 86 ALA N N 86 121.849 121.849 121.885 -0.036 19774 3991 1 14 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.857 0.287 19774 3992 1 14 . 1 1 86 86 ALA C C 86 180.283 180.283 179.234 1.049 19774 3993 1 14 . 1 1 86 86 ALA CA C 86 54.695 54.695 54.891 -0.196 19774 3994 1 14 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.142 0.070 19774 3995 1 14 . 1 1 86 86 ALA H H 86 8.072 8.072 8.023 0.049 19774 3996 1 14 . 1 1 87 87 LEU N N 87 120.459 120.459 120.374 0.085 19774 3997 1 14 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.942 0.276 19774 3998 1 14 . 1 1 87 87 LEU C C 87 178.387 178.387 178.394 -0.007 19774 3999 1 14 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.586 -0.329 19774 4000 1 14 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.437 0.438 19774 4001 1 14 . 1 1 87 87 LEU H H 87 8.010 8.010 8.261 -0.251 19774 4002 1 14 . 1 1 88 88 ALA N N 88 122.123 122.123 121.522 0.601 19774 4003 1 14 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.927 0.207 19774 4004 1 14 . 1 1 88 88 ALA C C 88 180.241 180.241 179.659 0.582 19774 4005 1 14 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.015 -0.523 19774 4006 1 14 . 1 1 88 88 ALA CB C 88 17.859 17.859 17.985 -0.126 19774 4007 1 14 . 1 1 88 88 ALA H H 88 7.981 7.981 7.850 0.131 19774 4008 1 14 . 1 1 89 89 LEU N N 89 119.923 119.923 118.549 1.374 19774 4009 1 14 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.808 0.326 19774 4010 1 14 . 1 1 89 89 LEU C C 89 178.981 178.981 179.368 -0.387 19774 4011 1 14 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.324 -0.320 19774 4012 1 14 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.363 0.582 19774 4013 1 14 . 1 1 89 89 LEU H H 89 7.897 7.897 7.351 0.546 19774 4014 1 14 . 1 1 90 90 LYS N N 90 120.679 120.679 118.992 1.687 19774 4015 1 14 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.893 0.283 19774 4016 1 14 . 1 1 90 90 LYS C C 90 178.799 178.799 178.967 -0.168 19774 4017 1 14 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.634 -1.435 19774 4018 1 14 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.229 0.214 19774 4019 1 14 . 1 1 90 90 LYS H H 90 7.913 7.913 7.606 0.306 19774 4020 1 14 . 1 1 91 91 MET N N 91 118.958 118.958 118.598 0.360 19774 4021 1 14 . 1 1 91 91 MET HA H 91 4.366 4.366 4.460 -0.094 19774 4022 1 14 . 1 1 91 91 MET C C 91 177.925 177.925 178.770 -0.845 19774 4023 1 14 . 1 1 91 91 MET CA C 91 57.121 57.121 56.575 0.546 19774 4024 1 14 . 1 1 91 91 MET CB C 91 32.242 32.242 32.108 0.134 19774 4025 1 14 . 1 1 91 91 MET H H 91 8.392 8.392 7.939 0.453 19774 4026 1 14 . 1 1 92 92 SER N N 92 116.458 116.458 115.382 1.076 19774 4027 1 14 . 1 1 92 92 SER HA H 92 4.376 4.376 4.318 0.058 19774 4028 1 14 . 1 1 92 92 SER C C 92 175.910 175.910 176.977 -1.067 19774 4029 1 14 . 1 1 92 92 SER CA C 92 60.139 60.139 61.072 -0.933 19774 4030 1 14 . 1 1 92 92 SER CB C 92 63.292 63.292 62.794 0.498 19774 4031 1 14 . 1 1 92 92 SER H H 92 8.268 8.268 7.909 0.359 19774 4032 1 14 . 1 1 93 93 GLU N N 93 122.379 122.379 121.857 0.522 19774 4033 1 14 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.046 0.162 19774 4034 1 14 . 1 1 93 93 GLU CA C 93 57.993 57.993 58.743 -0.750 19774 4035 1 14 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.307 0.479 19774 4036 1 14 . 1 1 93 93 GLU H H 93 8.255 8.255 7.732 0.523 19774 4037 1 14 . 1 1 94 94 GLN C C 94 177.043 177.043 178.783 -1.740 19774 4038 1 14 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.995 -1.886 19774 4039 1 14 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.830 0.141 19774 4040 1 14 . 1 1 95 95 GLU N N 95 121.162 121.162 119.469 1.693 19774 4041 1 14 . 1 1 95 95 GLU HA H 95 4.166 4.166 3.963 0.203 19774 4042 1 14 . 1 1 95 95 GLU C C 95 177.150 177.150 177.640 -0.490 19774 4043 1 14 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.890 -1.311 19774 4044 1 14 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.386 0.596 19774 4045 1 14 . 1 1 95 95 GLU H H 95 8.294 8.294 8.009 0.285 19774 4046 1 14 . 1 1 96 96 ALA N N 96 123.599 123.599 119.610 3.989 19774 4047 1 14 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.128 0.185 19774 4048 1 14 . 1 1 96 96 ALA C C 96 178.276 178.276 180.337 -2.061 19774 4049 1 14 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.444 -1.262 19774 4050 1 14 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.775 -0.090 19774 4051 1 14 . 1 1 96 96 ALA H H 96 8.209 8.209 7.454 0.755 19774 4052 1 14 . 1 1 97 97 ARG N N 97 119.759 119.759 116.774 2.985 19774 4053 1 14 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.258 0.034 19774 4054 1 14 . 1 1 97 97 ARG C C 97 176.904 176.904 177.763 -0.859 19774 4055 1 14 . 1 1 97 97 ARG CA C 97 56.702 56.702 56.971 -0.270 19774 4056 1 14 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.985 0.885 19774 4057 1 14 . 1 1 97 97 ARG H H 97 8.123 8.123 7.808 0.315 19774 4058 1 14 . 1 1 98 98 GLU N N 98 121.995 121.995 118.236 3.759 19774 4059 1 14 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.368 -0.108 19774 4060 1 14 . 1 1 98 98 GLU C C 98 176.939 176.939 175.978 0.961 19774 4061 1 14 . 1 1 98 98 GLU CA C 98 56.950 56.950 55.837 1.113 19774 4062 1 14 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.059 0.992 19774 4063 1 14 . 1 1 98 98 GLU H H 98 8.382 8.382 7.911 0.471 19774 4064 1 14 . 1 1 99 99 VAL N N 99 121.412 121.412 120.429 0.983 19774 4065 1 14 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.875 0.196 19774 4066 1 14 . 1 1 99 99 VAL C C 99 176.276 176.276 176.159 0.117 19774 4067 1 14 . 1 1 99 99 VAL CA C 99 62.936 62.936 63.031 -0.094 19774 4068 1 14 . 1 1 99 99 VAL CB C 99 32.750 32.750 31.945 0.805 19774 4069 1 14 . 1 1 99 99 VAL H H 99 8.269 8.269 7.099 1.170 19774 4070 1 14 . 1 1 100 100 ASN N N 100 122.455 122.455 124.128 -1.673 19774 4071 1 14 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.608 0.211 19774 4072 1 14 . 1 1 100 100 ASN C C 100 175.671 175.671 177.072 -1.401 19774 4073 1 14 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.117 -0.692 19774 4074 1 14 . 1 1 100 100 ASN CB C 100 39.040 39.040 38.768 0.272 19774 4075 1 14 . 1 1 100 100 ASN H H 100 8.642 8.642 8.553 0.089 19774 4076 1 14 . 1 1 101 101 SER N N 101 117.265 117.265 120.808 -3.543 19774 4077 1 14 . 1 1 101 101 SER HA H 101 4.408 4.408 4.324 0.084 19774 4078 1 14 . 1 1 101 101 SER C C 101 175.147 175.147 176.257 -1.110 19774 4079 1 14 . 1 1 101 101 SER CA C 101 59.187 59.187 61.149 -1.962 19774 4080 1 14 . 1 1 101 101 SER CB C 101 63.672 63.672 63.600 0.072 19774 4081 1 14 . 1 1 101 101 SER H H 101 8.548 8.548 8.744 -0.196 19774 4082 1 14 . 1 1 102 102 GLN N N 102 122.686 122.686 122.491 0.195 19774 4083 1 14 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.314 -0.022 19774 4084 1 14 . 1 1 102 102 GLN C C 102 177.127 177.127 177.967 -0.840 19774 4085 1 14 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.930 -1.545 19774 4086 1 14 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.351 0.449 19774 4087 1 14 . 1 1 102 102 GLN H H 102 8.596 8.596 8.612 -0.016 19774 4088 1 14 . 1 1 103 103 GLU N N 103 121.071 121.071 119.011 2.060 19774 4089 1 14 . 1 1 103 103 GLU HA H 103 4.176 4.176 3.993 0.183 19774 4090 1 14 . 1 1 103 103 GLU C C 103 178.080 178.080 178.990 -0.910 19774 4091 1 14 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.685 -1.384 19774 4092 1 14 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.443 0.258 19774 4093 1 14 . 1 1 103 103 GLU H H 103 8.502 8.502 7.674 0.828 19774 4094 1 14 . 1 1 104 104 GLU N N 104 121.073 121.073 118.821 2.252 19774 4095 1 14 . 1 1 104 104 GLU C C 104 178.186 178.186 179.146 -0.960 19774 4096 1 14 . 1 1 104 104 GLU H H 104 8.389 8.389 7.713 0.676 19774 4097 1 14 . 1 1 105 105 GLU N N 105 121.561 121.561 119.780 1.781 19774 4098 1 14 . 1 1 105 105 GLU C C 105 178.380 178.380 178.894 -0.514 19774 4099 1 14 . 1 1 105 105 GLU H H 105 8.454 8.454 7.824 0.630 19774 4100 1 14 . 1 1 106 106 GLU N N 106 120.852 120.852 119.403 1.449 19774 4101 1 14 . 1 1 106 106 GLU C C 106 178.758 178.758 178.866 -0.108 19774 4102 1 14 . 1 1 106 106 GLU H H 106 8.473 8.473 8.173 0.300 19774 4103 1 14 . 1 1 107 107 GLU N N 107 120.445 120.445 118.658 1.787 19774 4104 1 14 . 1 1 107 107 GLU C C 107 178.661 178.661 178.921 -0.260 19774 4105 1 14 . 1 1 107 107 GLU H H 107 8.396 8.396 7.572 0.824 19774 4106 1 14 . 1 1 108 108 GLU N N 108 121.089 121.089 120.665 0.424 19774 4107 1 14 . 1 1 108 108 GLU C C 108 178.454 178.454 178.960 -0.506 19774 4108 1 14 . 1 1 108 108 GLU H H 108 8.139 8.139 7.581 0.558 19774 4109 1 14 . 1 1 109 109 LEU N N 109 120.552 120.552 120.688 -0.136 19774 4110 1 14 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.116 -0.003 19774 4111 1 14 . 1 1 109 109 LEU C C 109 180.104 180.104 179.240 0.864 19774 4112 1 14 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.939 -0.029 19774 4113 1 14 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.088 0.603 19774 4114 1 14 . 1 1 109 109 LEU H H 109 8.097 8.097 7.988 0.109 19774 4115 1 14 . 1 1 110 110 LEU N N 110 121.275 121.275 120.437 0.838 19774 4116 1 14 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.968 0.271 19774 4117 1 14 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.919 -0.424 19774 4118 1 14 . 1 1 110 110 LEU CB C 110 41.656 41.656 40.999 0.657 19774 4119 1 14 . 1 1 110 110 LEU H H 110 7.964 7.964 8.140 -0.176 19774 4120 1 14 . 1 1 112 112 LYS N N 112 120.602 120.602 119.414 1.188 19774 4121 1 14 . 1 1 112 112 LYS C C 112 177.904 177.904 178.712 -0.808 19774 4122 1 14 . 1 1 112 112 LYS H H 112 8.279 8.279 8.022 0.257 19774 4123 1 14 . 1 1 113 113 ALA N N 113 122.972 122.972 122.254 0.718 19774 4124 1 14 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.101 0.181 19774 4125 1 14 . 1 1 113 113 ALA C C 113 180.557 180.557 179.971 0.586 19774 4126 1 14 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.036 -0.560 19774 4127 1 14 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.120 0.146 19774 4128 1 14 . 1 1 113 113 ALA H H 113 7.992 7.992 7.956 0.036 19774 4129 1 14 . 1 1 114 114 ILE N N 114 120.299 120.299 118.990 1.309 19774 4130 1 14 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.619 0.230 19774 4131 1 14 . 1 1 114 114 ILE C C 114 178.314 178.314 177.729 0.585 19774 4132 1 14 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.174 -1.391 19774 4133 1 14 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.865 0.466 19774 4134 1 14 . 1 1 114 114 ILE H H 114 8.231 8.231 7.615 0.616 19774 4135 1 14 . 1 1 115 115 ALA N N 115 124.227 124.227 122.012 2.215 19774 4136 1 14 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.965 0.243 19774 4137 1 14 . 1 1 115 115 ALA C C 115 179.824 179.824 179.743 0.081 19774 4138 1 14 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.521 -0.964 19774 4139 1 14 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.985 0.296 19774 4140 1 14 . 1 1 115 115 ALA H H 115 8.087 8.087 8.248 -0.161 19774 4141 1 14 . 1 1 116 116 GLU N N 116 118.344 118.344 118.292 0.052 19774 4142 1 14 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.017 0.191 19774 4143 1 14 . 1 1 116 116 GLU C C 116 178.142 178.142 179.488 -1.346 19774 4144 1 14 . 1 1 116 116 GLU CA C 116 57.988 57.988 58.977 -0.989 19774 4145 1 14 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.087 0.566 19774 4146 1 14 . 1 1 116 116 GLU H H 116 8.322 8.322 8.199 0.123 19774 4147 1 14 . 1 1 117 117 SER N N 117 115.778 115.778 116.121 -0.343 19774 4148 1 14 . 1 1 117 117 SER HA H 117 4.380 4.380 4.214 0.166 19774 4149 1 14 . 1 1 117 117 SER C C 117 175.595 175.595 176.653 -1.058 19774 4150 1 14 . 1 1 117 117 SER CA C 117 59.926 59.926 61.701 -1.775 19774 4151 1 14 . 1 1 117 117 SER CB C 117 63.351 63.351 62.687 0.664 19774 4152 1 14 . 1 1 117 117 SER H H 117 8.050 8.050 7.812 0.238 19774 4153 1 14 . 1 1 118 118 LEU N N 118 122.792 122.792 121.265 1.527 19774 4154 1 14 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.153 0.129 19774 4155 1 14 . 1 1 118 118 LEU C C 118 177.998 177.998 178.507 -0.509 19774 4156 1 14 . 1 1 118 118 LEU CA C 118 56.141 56.141 56.987 -0.846 19774 4157 1 14 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.455 0.619 19774 4158 1 14 . 1 1 118 118 LEU H H 118 7.984 7.984 7.792 0.192 19774 4159 1 14 . 1 1 119 119 ASN N N 119 118.030 118.030 117.774 0.256 19774 4160 1 14 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.532 0.171 19774 4161 1 14 . 1 1 119 119 ASN C C 119 175.640 175.640 177.206 -1.566 19774 4162 1 14 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.452 -1.691 19774 4163 1 14 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.711 0.112 19774 4164 1 14 . 1 1 119 119 ASN H H 119 8.199 8.199 8.460 -0.261 19774 4165 1 14 . 1 1 120 120 SER N N 120 115.677 115.677 114.632 1.045 19774 4166 1 14 . 1 1 120 120 SER HA H 120 4.473 4.473 4.431 0.042 19774 4167 1 14 . 1 1 120 120 SER CA C 120 58.803 58.803 59.356 -0.553 19774 4168 1 14 . 1 1 120 120 SER CB C 120 63.708 63.708 63.808 -0.100 19774 4169 1 14 . 1 1 120 120 SER H H 120 8.200 8.200 7.885 0.315 19774 4170 1 14 . 1 1 123 123 PRO C C 123 177.186 177.186 176.040 1.146 19774 4171 1 14 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.914 0.444 19774 4172 1 14 . 1 1 123 123 PRO CB C 123 32.163 32.163 31.949 0.214 19774 4173 1 14 . 1 1 124 124 SER N N 124 116.200 116.200 117.619 -1.419 19774 4174 1 14 . 1 1 124 124 SER HA H 124 4.990 4.990 4.251 0.739 19774 4175 1 14 . 1 1 124 124 SER C C 124 174.548 174.548 174.923 -0.375 19774 4176 1 14 . 1 1 124 124 SER CA C 124 58.600 58.600 58.433 0.167 19774 4177 1 14 . 1 1 124 124 SER CB C 124 63.727 63.727 64.075 -0.348 19774 4178 1 14 . 1 1 124 124 SER H H 124 8.596 8.596 8.217 0.379 19774 4179 1 14 . 1 1 125 125 ASP N N 125 122.649 122.649 125.539 -2.890 19774 4180 1 14 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.541 0.067 19774 4181 1 14 . 1 1 125 125 ASP C C 125 176.378 176.378 178.013 -1.635 19774 4182 1 14 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.355 -0.107 19774 4183 1 14 . 1 1 125 125 ASP CB C 125 41.080 41.080 42.010 -0.930 19774 4184 1 14 . 1 1 125 125 ASP H H 125 8.427 8.427 8.656 -0.229 19774 4185 1 14 . 1 1 126 126 ALA N N 126 124.975 124.975 126.890 -1.915 19774 4186 1 14 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.112 0.191 19774 4187 1 14 . 1 1 126 126 ALA C C 126 178.138 178.138 178.061 0.077 19774 4188 1 14 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.397 -1.330 19774 4189 1 14 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.728 0.191 19774 4190 1 14 . 1 1 126 126 ALA H H 126 8.401 8.401 8.564 -0.163 19774 4191 1 14 . 1 1 127 127 SER N N 127 114.892 114.892 113.695 1.197 19774 4192 1 14 . 1 1 127 127 SER HA H 127 4.380 4.380 4.331 0.049 19774 4193 1 14 . 1 1 127 127 SER C C 127 174.582 174.582 174.988 -0.406 19774 4194 1 14 . 1 1 127 127 SER CA C 127 58.826 58.826 58.703 0.124 19774 4195 1 14 . 1 1 127 127 SER CB C 127 63.662 63.662 63.057 0.605 19774 4196 1 14 . 1 1 127 127 SER H H 127 8.403 8.403 7.900 0.503 19774 4197 1 14 . 1 1 128 128 ALA N N 128 125.815 125.815 122.688 3.127 19774 4198 1 14 . 1 1 128 128 ALA HA H 128 4.389 4.389 3.999 0.390 19774 4199 1 14 . 1 1 128 128 ALA C C 128 177.957 177.957 177.363 0.594 19774 4200 1 14 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.627 -0.915 19774 4201 1 14 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.550 1.694 19774 4202 1 14 . 1 1 128 128 ALA H H 128 8.266 8.266 8.187 0.079 19774 4203 1 14 . 1 1 129 129 THR N N 129 113.766 113.766 112.497 1.269 19774 4204 1 14 . 1 1 129 129 THR HA H 129 4.310 4.310 4.262 0.048 19774 4205 1 14 . 1 1 129 129 THR C C 129 174.414 174.414 174.099 0.315 19774 4206 1 14 . 1 1 129 129 THR CA C 129 62.010 62.010 61.754 0.256 19774 4207 1 14 . 1 1 129 129 THR CB C 129 69.748 69.748 69.951 -0.203 19774 4208 1 14 . 1 1 129 129 THR H H 129 8.200 8.200 7.635 0.565 19774 4209 1 14 . 1 1 130 130 ARG N N 130 124.611 124.611 123.058 1.553 19774 4210 1 14 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.383 0.067 19774 4211 1 14 . 1 1 130 130 ARG C C 130 175.443 175.443 176.447 -1.004 19774 4212 1 14 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.656 0.323 19774 4213 1 14 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.103 -0.200 19774 4214 1 14 . 1 1 130 130 ARG H H 130 8.457 8.457 8.559 -0.102 19774 4215 1 15 . 1 1 -2 -2 LEU N N -2 122.796 122.796 121.071 1.725 19774 4216 1 15 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.175 0.170 19774 4217 1 15 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.762 0.392 19774 4218 1 15 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.989 -0.397 19774 4219 1 15 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.642 0.586 19774 4220 1 15 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.716 0.988 19774 4221 1 15 . 1 1 -1 -1 GLY N N -1 110.002 110.002 112.822 -2.820 19774 4222 1 15 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.649 -0.181 19774 4223 1 15 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.717 0.606 19774 4224 1 15 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.864 -0.316 19774 4225 1 15 . 1 1 75 75 LYS N N 75 123.250 123.250 122.430 0.820 19774 4226 1 15 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.337 -0.034 19774 4227 1 15 . 1 1 75 75 LYS C C 75 176.826 176.826 176.513 0.313 19774 4228 1 15 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.303 0.078 19774 4229 1 15 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.143 -0.269 19774 4230 1 15 . 1 1 75 75 LYS H H 75 8.447 8.447 8.325 0.122 19774 4231 1 15 . 1 1 76 76 ILE N N 76 123.138 123.138 123.170 -0.032 19774 4232 1 15 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.112 -0.020 19774 4233 1 15 . 1 1 76 76 ILE C C 76 176.311 176.311 176.076 0.235 19774 4234 1 15 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.973 0.615 19774 4235 1 15 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.201 0.368 19774 4236 1 15 . 1 1 76 76 ILE H H 76 8.315 8.315 8.198 0.117 19774 4237 1 15 . 1 1 77 77 ALA N N 77 127.035 127.035 130.503 -3.468 19774 4238 1 15 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.407 -0.149 19774 4239 1 15 . 1 1 77 77 ALA C C 77 177.642 177.642 177.292 0.350 19774 4240 1 15 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.696 1.139 19774 4241 1 15 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.647 -0.547 19774 4242 1 15 . 1 1 77 77 ALA H H 77 8.446 8.446 8.206 0.240 19774 4243 1 15 . 1 1 78 78 GLN N N 78 119.150 119.150 119.848 -0.698 19774 4244 1 15 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.289 0.024 19774 4245 1 15 . 1 1 78 78 GLN C C 78 176.025 176.025 175.667 0.358 19774 4246 1 15 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.660 0.061 19774 4247 1 15 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.489 0.042 19774 4248 1 15 . 1 1 78 78 GLN H H 78 8.323 8.323 8.366 -0.043 19774 4249 1 15 . 1 1 79 79 MET N N 79 122.456 122.456 122.832 -0.376 19774 4250 1 15 . 1 1 79 79 MET HA H 79 4.619 4.619 4.623 -0.004 19774 4251 1 15 . 1 1 79 79 MET C C 79 177.080 177.080 176.527 0.553 19774 4252 1 15 . 1 1 79 79 MET CA C 79 56.021 56.021 55.137 0.884 19774 4253 1 15 . 1 1 79 79 MET CB C 79 34.723 34.723 33.229 1.494 19774 4254 1 15 . 1 1 79 79 MET H H 79 8.410 8.410 8.250 0.160 19774 4255 1 15 . 1 1 80 80 THR N N 80 115.145 115.145 115.756 -0.611 19774 4256 1 15 . 1 1 80 80 THR HA H 80 4.390 4.390 4.528 -0.138 19774 4257 1 15 . 1 1 80 80 THR C C 80 175.463 175.463 175.440 0.023 19774 4258 1 15 . 1 1 80 80 THR CA C 80 61.546 61.546 60.751 0.796 19774 4259 1 15 . 1 1 80 80 THR CB C 80 70.845 70.845 70.520 0.325 19774 4260 1 15 . 1 1 80 80 THR H H 80 8.915 8.915 8.303 0.612 19774 4261 1 15 . 1 1 81 81 GLU N N 81 122.254 122.254 122.053 0.201 19774 4262 1 15 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.982 0.025 19774 4263 1 15 . 1 1 81 81 GLU C C 81 178.734 178.734 179.257 -0.523 19774 4264 1 15 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.290 -0.492 19774 4265 1 15 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.499 -0.105 19774 4266 1 15 . 1 1 81 81 GLU H H 81 9.076 9.076 8.950 0.126 19774 4267 1 15 . 1 1 82 82 GLU N N 82 119.436 119.436 119.171 0.265 19774 4268 1 15 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.117 0.006 19774 4269 1 15 . 1 1 82 82 GLU C C 82 179.545 179.545 179.278 0.267 19774 4270 1 15 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.375 0.450 19774 4271 1 15 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.339 -0.071 19774 4272 1 15 . 1 1 82 82 GLU H H 82 8.839 8.839 8.639 0.200 19774 4273 1 15 . 1 1 83 83 GLU N N 83 121.597 121.597 119.082 2.515 19774 4274 1 15 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.100 0.002 19774 4275 1 15 . 1 1 83 83 GLU C C 83 179.440 179.440 178.920 0.520 19774 4276 1 15 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.179 -0.276 19774 4277 1 15 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.348 0.679 19774 4278 1 15 . 1 1 83 83 GLU H H 83 8.029 8.029 7.927 0.102 19774 4279 1 15 . 1 1 84 84 GLN N N 84 120.565 120.565 120.004 0.561 19774 4280 1 15 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.068 -0.039 19774 4281 1 15 . 1 1 84 84 GLN C C 84 178.689 178.689 178.183 0.506 19774 4282 1 15 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.948 0.071 19774 4283 1 15 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.651 -0.038 19774 4284 1 15 . 1 1 84 84 GLN H H 84 8.575 8.575 8.643 -0.068 19774 4285 1 15 . 1 1 85 85 PHE N N 85 121.525 121.525 120.454 1.071 19774 4286 1 15 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.089 0.140 19774 4287 1 15 . 1 1 85 85 PHE C C 85 177.713 177.713 176.674 1.039 19774 4288 1 15 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.189 -0.866 19774 4289 1 15 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.896 -0.176 19774 4290 1 15 . 1 1 85 85 PHE H H 85 8.483 8.483 8.137 0.346 19774 4291 1 15 . 1 1 86 86 ALA N N 86 121.849 121.849 122.250 -0.401 19774 4292 1 15 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.839 0.305 19774 4293 1 15 . 1 1 86 86 ALA C C 86 180.283 180.283 179.490 0.793 19774 4294 1 15 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.022 -0.327 19774 4295 1 15 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.173 0.039 19774 4296 1 15 . 1 1 86 86 ALA H H 86 8.072 8.072 7.903 0.169 19774 4297 1 15 . 1 1 87 87 LEU N N 87 120.459 120.459 119.354 1.105 19774 4298 1 15 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.862 0.356 19774 4299 1 15 . 1 1 87 87 LEU C C 87 178.387 178.387 179.029 -0.642 19774 4300 1 15 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.714 -0.457 19774 4301 1 15 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.542 0.333 19774 4302 1 15 . 1 1 87 87 LEU H H 87 8.010 8.010 8.424 -0.414 19774 4303 1 15 . 1 1 88 88 ALA N N 88 122.123 122.123 122.764 -0.641 19774 4304 1 15 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.957 0.177 19774 4305 1 15 . 1 1 88 88 ALA C C 88 180.241 180.241 179.807 0.434 19774 4306 1 15 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.221 -0.729 19774 4307 1 15 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.036 -0.177 19774 4308 1 15 . 1 1 88 88 ALA H H 88 7.981 7.981 8.131 -0.150 19774 4309 1 15 . 1 1 89 89 LEU N N 89 119.923 119.923 118.121 1.802 19774 4310 1 15 . 1 1 89 89 LEU HA H 89 4.134 4.134 4.028 0.106 19774 4311 1 15 . 1 1 89 89 LEU C C 89 178.981 178.981 179.298 -0.317 19774 4312 1 15 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.301 -0.297 19774 4313 1 15 . 1 1 89 89 LEU CB C 89 41.945 41.945 40.715 1.230 19774 4314 1 15 . 1 1 89 89 LEU H H 89 7.897 7.897 7.499 0.398 19774 4315 1 15 . 1 1 90 90 LYS N N 90 120.679 120.679 119.237 1.442 19774 4316 1 15 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.085 0.091 19774 4317 1 15 . 1 1 90 90 LYS C C 90 178.799 178.799 179.458 -0.659 19774 4318 1 15 . 1 1 90 90 LYS CA C 90 58.199 58.199 58.676 -0.477 19774 4319 1 15 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.100 0.343 19774 4320 1 15 . 1 1 90 90 LYS H H 90 7.913 7.913 8.262 -0.349 19774 4321 1 15 . 1 1 91 91 MET N N 91 118.958 118.958 118.904 0.054 19774 4322 1 15 . 1 1 91 91 MET HA H 91 4.366 4.366 4.192 0.174 19774 4323 1 15 . 1 1 91 91 MET C C 91 177.925 177.925 178.428 -0.503 19774 4324 1 15 . 1 1 91 91 MET CA C 91 57.121 57.121 57.988 -0.867 19774 4325 1 15 . 1 1 91 91 MET CB C 91 32.242 32.242 31.803 0.439 19774 4326 1 15 . 1 1 91 91 MET H H 91 8.392 8.392 8.755 -0.363 19774 4327 1 15 . 1 1 92 92 SER N N 92 116.458 116.458 115.395 1.063 19774 4328 1 15 . 1 1 92 92 SER HA H 92 4.376 4.376 4.334 0.042 19774 4329 1 15 . 1 1 92 92 SER C C 92 175.910 175.910 177.142 -1.232 19774 4330 1 15 . 1 1 92 92 SER CA C 92 60.139 60.139 60.901 -0.762 19774 4331 1 15 . 1 1 92 92 SER CB C 92 63.292 63.292 62.949 0.343 19774 4332 1 15 . 1 1 92 92 SER H H 92 8.268 8.268 7.923 0.345 19774 4333 1 15 . 1 1 93 93 GLU N N 93 122.379 122.379 122.917 -0.538 19774 4334 1 15 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.163 0.045 19774 4335 1 15 . 1 1 93 93 GLU CA C 93 57.993 57.993 58.841 -0.848 19774 4336 1 15 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.627 0.159 19774 4337 1 15 . 1 1 93 93 GLU H H 93 8.255 8.255 7.690 0.565 19774 4338 1 15 . 1 1 94 94 GLN C C 94 177.043 177.043 178.369 -1.326 19774 4339 1 15 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.965 -1.856 19774 4340 1 15 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.723 0.248 19774 4341 1 15 . 1 1 95 95 GLU N N 95 121.162 121.162 119.548 1.614 19774 4342 1 15 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.286 -0.120 19774 4343 1 15 . 1 1 95 95 GLU C C 95 177.150 177.150 178.594 -1.444 19774 4344 1 15 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.906 -1.327 19774 4345 1 15 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.582 0.400 19774 4346 1 15 . 1 1 95 95 GLU H H 95 8.294 8.294 8.342 -0.048 19774 4347 1 15 . 1 1 96 96 ALA N N 96 123.599 123.599 120.990 2.609 19774 4348 1 15 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.114 0.199 19774 4349 1 15 . 1 1 96 96 ALA C C 96 178.276 178.276 180.205 -1.929 19774 4350 1 15 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.623 -1.440 19774 4351 1 15 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.539 0.146 19774 4352 1 15 . 1 1 96 96 ALA H H 96 8.209 8.209 7.573 0.636 19774 4353 1 15 . 1 1 97 97 ARG N N 97 119.759 119.759 117.012 2.747 19774 4354 1 15 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.143 0.149 19774 4355 1 15 . 1 1 97 97 ARG C C 97 176.904 176.904 177.765 -0.861 19774 4356 1 15 . 1 1 97 97 ARG CA C 97 56.702 56.702 58.038 -1.337 19774 4357 1 15 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.043 0.827 19774 4358 1 15 . 1 1 97 97 ARG H H 97 8.123 8.123 7.636 0.487 19774 4359 1 15 . 1 1 98 98 GLU N N 98 121.995 121.995 116.917 5.078 19774 4360 1 15 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.198 0.062 19774 4361 1 15 . 1 1 98 98 GLU C C 98 176.939 176.939 176.602 0.337 19774 4362 1 15 . 1 1 98 98 GLU CA C 98 56.950 56.950 57.120 -0.169 19774 4363 1 15 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.849 0.202 19774 4364 1 15 . 1 1 98 98 GLU H H 98 8.382 8.382 7.577 0.805 19774 4365 1 15 . 1 1 99 99 VAL N N 99 121.412 121.412 119.965 1.447 19774 4366 1 15 . 1 1 99 99 VAL HA H 99 4.071 4.071 4.015 0.056 19774 4367 1 15 . 1 1 99 99 VAL C C 99 176.276 176.276 175.772 0.504 19774 4368 1 15 . 1 1 99 99 VAL CA C 99 62.936 62.936 61.855 1.081 19774 4369 1 15 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.583 0.167 19774 4370 1 15 . 1 1 99 99 VAL H H 99 8.269 8.269 7.207 1.062 19774 4371 1 15 . 1 1 100 100 ASN N N 100 122.455 122.455 120.910 1.545 19774 4372 1 15 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.532 0.287 19774 4373 1 15 . 1 1 100 100 ASN C C 100 175.671 175.671 176.701 -1.030 19774 4374 1 15 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.450 -1.025 19774 4375 1 15 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.311 -0.271 19774 4376 1 15 . 1 1 100 100 ASN H H 100 8.642 8.642 8.299 0.343 19774 4377 1 15 . 1 1 101 101 SER N N 101 117.265 117.265 116.400 0.865 19774 4378 1 15 . 1 1 101 101 SER HA H 101 4.408 4.408 4.090 0.318 19774 4379 1 15 . 1 1 101 101 SER C C 101 175.147 175.147 176.015 -0.868 19774 4380 1 15 . 1 1 101 101 SER CA C 101 59.187 59.187 61.779 -2.592 19774 4381 1 15 . 1 1 101 101 SER CB C 101 63.672 63.672 63.030 0.642 19774 4382 1 15 . 1 1 101 101 SER H H 101 8.548 8.548 8.725 -0.177 19774 4383 1 15 . 1 1 102 102 GLN N N 102 122.686 122.686 120.129 2.557 19774 4384 1 15 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.135 0.157 19774 4385 1 15 . 1 1 102 102 GLN C C 102 177.127 177.127 178.782 -1.655 19774 4386 1 15 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.871 -1.486 19774 4387 1 15 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.019 0.781 19774 4388 1 15 . 1 1 102 102 GLN H H 102 8.596 8.596 8.658 -0.062 19774 4389 1 15 . 1 1 103 103 GLU N N 103 121.071 121.071 119.003 2.068 19774 4390 1 15 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.148 0.028 19774 4391 1 15 . 1 1 103 103 GLU C C 103 178.080 178.080 178.782 -0.702 19774 4392 1 15 . 1 1 103 103 GLU CA C 103 58.301 58.301 58.787 -0.486 19774 4393 1 15 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.194 0.507 19774 4394 1 15 . 1 1 103 103 GLU H H 103 8.502 8.502 7.754 0.748 19774 4395 1 15 . 1 1 104 104 GLU N N 104 121.073 121.073 120.601 0.472 19774 4396 1 15 . 1 1 104 104 GLU C C 104 178.186 178.186 178.534 -0.348 19774 4397 1 15 . 1 1 104 104 GLU H H 104 8.389 8.389 7.785 0.604 19774 4398 1 15 . 1 1 105 105 GLU N N 105 121.561 121.561 119.716 1.845 19774 4399 1 15 . 1 1 105 105 GLU C C 105 178.380 178.380 178.884 -0.504 19774 4400 1 15 . 1 1 105 105 GLU H H 105 8.454 8.454 7.871 0.583 19774 4401 1 15 . 1 1 106 106 GLU N N 106 120.852 120.852 118.720 2.132 19774 4402 1 15 . 1 1 106 106 GLU C C 106 178.758 178.758 178.913 -0.155 19774 4403 1 15 . 1 1 106 106 GLU H H 106 8.473 8.473 7.669 0.804 19774 4404 1 15 . 1 1 107 107 GLU N N 107 120.445 120.445 119.817 0.628 19774 4405 1 15 . 1 1 107 107 GLU C C 107 178.661 178.661 178.509 0.152 19774 4406 1 15 . 1 1 107 107 GLU H H 107 8.396 8.396 7.684 0.712 19774 4407 1 15 . 1 1 108 108 GLU N N 108 121.089 121.089 120.350 0.739 19774 4408 1 15 . 1 1 108 108 GLU C C 108 178.454 178.454 179.074 -0.620 19774 4409 1 15 . 1 1 108 108 GLU H H 108 8.139 8.139 7.902 0.237 19774 4410 1 15 . 1 1 109 109 LEU N N 109 120.552 120.552 119.465 1.087 19774 4411 1 15 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.009 0.104 19774 4412 1 15 . 1 1 109 109 LEU C C 109 180.104 180.104 179.033 1.071 19774 4413 1 15 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.689 0.221 19774 4414 1 15 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.713 -0.022 19774 4415 1 15 . 1 1 109 109 LEU H H 109 8.097 8.097 8.026 0.071 19774 4416 1 15 . 1 1 110 110 LEU N N 110 121.275 121.275 120.483 0.792 19774 4417 1 15 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.947 0.292 19774 4418 1 15 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.175 -0.680 19774 4419 1 15 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.554 0.102 19774 4420 1 15 . 1 1 110 110 LEU H H 110 7.964 7.964 7.657 0.307 19774 4421 1 15 . 1 1 112 112 LYS N N 112 120.602 120.602 120.572 0.030 19774 4422 1 15 . 1 1 112 112 LYS C C 112 177.904 177.904 178.514 -0.610 19774 4423 1 15 . 1 1 112 112 LYS H H 112 8.279 8.279 7.800 0.479 19774 4424 1 15 . 1 1 113 113 ALA N N 113 122.972 122.972 122.378 0.594 19774 4425 1 15 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.073 0.209 19774 4426 1 15 . 1 1 113 113 ALA C C 113 180.557 180.557 179.984 0.573 19774 4427 1 15 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.170 -0.694 19774 4428 1 15 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.122 0.144 19774 4429 1 15 . 1 1 113 113 ALA H H 113 7.992 7.992 8.054 -0.062 19774 4430 1 15 . 1 1 114 114 ILE N N 114 120.299 120.299 118.530 1.769 19774 4431 1 15 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.732 0.117 19774 4432 1 15 . 1 1 114 114 ILE C C 114 178.314 178.314 178.152 0.162 19774 4433 1 15 . 1 1 114 114 ILE CA C 114 63.783 63.783 62.881 0.902 19774 4434 1 15 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.468 1.863 19774 4435 1 15 . 1 1 114 114 ILE H H 114 8.231 8.231 7.576 0.655 19774 4436 1 15 . 1 1 115 115 ALA N N 115 124.227 124.227 122.358 1.869 19774 4437 1 15 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.990 0.218 19774 4438 1 15 . 1 1 115 115 ALA C C 115 179.824 179.824 179.896 -0.072 19774 4439 1 15 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.497 -0.940 19774 4440 1 15 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.171 0.110 19774 4441 1 15 . 1 1 115 115 ALA H H 115 8.087 8.087 7.937 0.150 19774 4442 1 15 . 1 1 116 116 GLU N N 116 118.344 118.344 118.198 0.146 19774 4443 1 15 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.980 0.228 19774 4444 1 15 . 1 1 116 116 GLU C C 116 178.142 178.142 179.148 -1.006 19774 4445 1 15 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.190 -1.202 19774 4446 1 15 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.072 0.581 19774 4447 1 15 . 1 1 116 116 GLU H H 116 8.322 8.322 8.443 -0.121 19774 4448 1 15 . 1 1 117 117 SER N N 117 115.778 115.778 115.759 0.019 19774 4449 1 15 . 1 1 117 117 SER HA H 117 4.380 4.380 4.229 0.150 19774 4450 1 15 . 1 1 117 117 SER C C 117 175.595 175.595 176.960 -1.365 19774 4451 1 15 . 1 1 117 117 SER CA C 117 59.926 59.926 61.690 -1.764 19774 4452 1 15 . 1 1 117 117 SER CB C 117 63.351 63.351 62.956 0.396 19774 4453 1 15 . 1 1 117 117 SER H H 117 8.050 8.050 7.901 0.149 19774 4454 1 15 . 1 1 118 118 LEU N N 118 122.792 122.792 121.530 1.262 19774 4455 1 15 . 1 1 118 118 LEU HA H 118 4.282 4.282 3.956 0.326 19774 4456 1 15 . 1 1 118 118 LEU C C 118 177.998 177.998 178.266 -0.268 19774 4457 1 15 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.431 -1.290 19774 4458 1 15 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.917 0.157 19774 4459 1 15 . 1 1 118 118 LEU H H 118 7.984 7.984 7.793 0.191 19774 4460 1 15 . 1 1 119 119 ASN N N 119 118.030 118.030 115.242 2.788 19774 4461 1 15 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.593 0.110 19774 4462 1 15 . 1 1 119 119 ASN C C 119 175.640 175.640 177.070 -1.430 19774 4463 1 15 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.188 -1.427 19774 4464 1 15 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.946 -0.123 19774 4465 1 15 . 1 1 119 119 ASN H H 119 8.199 8.199 7.986 0.213 19774 4466 1 15 . 1 1 120 120 SER N N 120 115.677 115.677 115.009 0.668 19774 4467 1 15 . 1 1 120 120 SER HA H 120 4.473 4.473 4.395 0.078 19774 4468 1 15 . 1 1 120 120 SER CA C 120 58.803 58.803 59.796 -0.993 19774 4469 1 15 . 1 1 120 120 SER CB C 120 63.708 63.708 63.997 -0.289 19774 4470 1 15 . 1 1 120 120 SER H H 120 8.200 8.200 8.144 0.056 19774 4471 1 15 . 1 1 123 123 PRO C C 123 177.186 177.186 176.692 0.494 19774 4472 1 15 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.549 0.809 19774 4473 1 15 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.352 -0.189 19774 4474 1 15 . 1 1 124 124 SER N N 124 116.200 116.200 117.407 -1.207 19774 4475 1 15 . 1 1 124 124 SER HA H 124 4.990 4.990 4.390 0.600 19774 4476 1 15 . 1 1 124 124 SER C C 124 174.548 174.548 174.914 -0.366 19774 4477 1 15 . 1 1 124 124 SER CA C 124 58.600 58.600 58.355 0.245 19774 4478 1 15 . 1 1 124 124 SER CB C 124 63.727 63.727 63.780 -0.053 19774 4479 1 15 . 1 1 124 124 SER H H 124 8.596 8.596 8.295 0.301 19774 4480 1 15 . 1 1 125 125 ASP N N 125 122.649 122.649 121.735 0.914 19774 4481 1 15 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.549 0.059 19774 4482 1 15 . 1 1 125 125 ASP C C 125 176.378 176.378 177.506 -1.128 19774 4483 1 15 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.846 -0.599 19774 4484 1 15 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.434 -0.354 19774 4485 1 15 . 1 1 125 125 ASP H H 125 8.427 8.427 8.490 -0.063 19774 4486 1 15 . 1 1 126 126 ALA N N 126 124.975 124.975 126.222 -1.247 19774 4487 1 15 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.119 0.184 19774 4488 1 15 . 1 1 126 126 ALA C C 126 178.138 178.138 178.555 -0.417 19774 4489 1 15 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.417 -1.350 19774 4490 1 15 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.824 0.095 19774 4491 1 15 . 1 1 126 126 ALA H H 126 8.401 8.401 8.561 -0.160 19774 4492 1 15 . 1 1 127 127 SER N N 127 114.892 114.892 113.768 1.124 19774 4493 1 15 . 1 1 127 127 SER HA H 127 4.380 4.380 4.335 0.045 19774 4494 1 15 . 1 1 127 127 SER C C 127 174.582 174.582 174.778 -0.196 19774 4495 1 15 . 1 1 127 127 SER CA C 127 58.826 58.826 58.072 0.754 19774 4496 1 15 . 1 1 127 127 SER CB C 127 63.662 63.662 63.418 0.244 19774 4497 1 15 . 1 1 127 127 SER H H 127 8.403 8.403 8.054 0.349 19774 4498 1 15 . 1 1 128 128 ALA N N 128 125.815 125.815 120.234 5.581 19774 4499 1 15 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.075 0.314 19774 4500 1 15 . 1 1 128 128 ALA C C 128 177.957 177.957 176.300 1.657 19774 4501 1 15 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.011 -0.299 19774 4502 1 15 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.325 1.919 19774 4503 1 15 . 1 1 128 128 ALA H H 128 8.266 8.266 7.928 0.338 19774 4504 1 15 . 1 1 129 129 THR N N 129 113.766 113.766 110.318 3.448 19774 4505 1 15 . 1 1 129 129 THR HA H 129 4.310 4.310 4.308 0.002 19774 4506 1 15 . 1 1 129 129 THR C C 129 174.414 174.414 173.778 0.636 19774 4507 1 15 . 1 1 129 129 THR CA C 129 62.010 62.010 61.205 0.805 19774 4508 1 15 . 1 1 129 129 THR CB C 129 69.748 69.748 69.698 0.050 19774 4509 1 15 . 1 1 129 129 THR H H 129 8.200 8.200 7.743 0.457 19774 4510 1 15 . 1 1 130 130 ARG N N 130 124.611 124.611 122.201 2.410 19774 4511 1 15 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.619 -0.169 19774 4512 1 15 . 1 1 130 130 ARG C C 130 175.443 175.443 175.609 -0.166 19774 4513 1 15 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.248 0.731 19774 4514 1 15 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.252 -0.349 19774 4515 1 15 . 1 1 130 130 ARG H H 130 8.457 8.457 8.314 0.143 19774 4516 1 16 . 1 1 -2 -2 LEU N N -2 122.796 122.796 124.114 -1.318 19774 4517 1 16 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.241 0.104 19774 4518 1 16 . 1 1 -2 -2 LEU C C -2 178.154 178.154 176.785 1.369 19774 4519 1 16 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.216 0.376 19774 4520 1 16 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 40.828 1.400 19774 4521 1 16 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.381 0.323 19774 4522 1 16 . 1 1 -1 -1 GLY N N -1 110.002 110.002 107.538 2.464 19774 4523 1 16 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.354 0.114 19774 4524 1 16 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.078 0.245 19774 4525 1 16 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.313 0.235 19774 4526 1 16 . 1 1 75 75 LYS N N 75 123.250 123.250 122.155 1.095 19774 4527 1 16 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.209 0.094 19774 4528 1 16 . 1 1 75 75 LYS C C 75 176.826 176.826 175.987 0.839 19774 4529 1 16 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.770 -0.389 19774 4530 1 16 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.856 0.018 19774 4531 1 16 . 1 1 75 75 LYS H H 75 8.447 8.447 8.389 0.058 19774 4532 1 16 . 1 1 76 76 ILE N N 76 123.138 123.138 121.914 1.224 19774 4533 1 16 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.107 -0.015 19774 4534 1 16 . 1 1 76 76 ILE C C 76 176.311 176.311 176.325 -0.014 19774 4535 1 16 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.737 0.851 19774 4536 1 16 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.101 0.468 19774 4537 1 16 . 1 1 76 76 ILE H H 76 8.315 8.315 8.172 0.143 19774 4538 1 16 . 1 1 77 77 ALA N N 77 127.035 127.035 130.194 -3.159 19774 4539 1 16 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.230 0.028 19774 4540 1 16 . 1 1 77 77 ALA C C 77 177.642 177.642 177.215 0.427 19774 4541 1 16 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.712 1.123 19774 4542 1 16 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.409 -0.309 19774 4543 1 16 . 1 1 77 77 ALA H H 77 8.446 8.446 8.157 0.289 19774 4544 1 16 . 1 1 78 78 GLN N N 78 119.150 119.150 120.488 -1.338 19774 4545 1 16 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.192 0.121 19774 4546 1 16 . 1 1 78 78 GLN C C 78 176.025 176.025 175.882 0.143 19774 4547 1 16 . 1 1 78 78 GLN CA C 78 55.721 55.721 56.091 -0.370 19774 4548 1 16 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.317 0.214 19774 4549 1 16 . 1 1 78 78 GLN H H 78 8.323 8.323 8.325 -0.002 19774 4550 1 16 . 1 1 79 79 MET N N 79 122.456 122.456 122.080 0.376 19774 4551 1 16 . 1 1 79 79 MET HA H 79 4.619 4.619 4.591 0.028 19774 4552 1 16 . 1 1 79 79 MET C C 79 177.080 177.080 176.805 0.275 19774 4553 1 16 . 1 1 79 79 MET CA C 79 56.021 56.021 55.228 0.793 19774 4554 1 16 . 1 1 79 79 MET CB C 79 34.723 34.723 32.990 1.733 19774 4555 1 16 . 1 1 79 79 MET H H 79 8.410 8.410 8.268 0.142 19774 4556 1 16 . 1 1 80 80 THR N N 80 115.145 115.145 114.949 0.196 19774 4557 1 16 . 1 1 80 80 THR HA H 80 4.390 4.390 4.499 -0.109 19774 4558 1 16 . 1 1 80 80 THR C C 80 175.463 175.463 175.709 -0.246 19774 4559 1 16 . 1 1 80 80 THR CA C 80 61.546 61.546 60.689 0.857 19774 4560 1 16 . 1 1 80 80 THR CB C 80 70.845 70.845 70.396 0.449 19774 4561 1 16 . 1 1 80 80 THR H H 80 8.915 8.915 8.198 0.717 19774 4562 1 16 . 1 1 81 81 GLU N N 81 122.254 122.254 121.323 0.931 19774 4563 1 16 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.046 -0.039 19774 4564 1 16 . 1 1 81 81 GLU C C 81 178.734 178.734 178.904 -0.170 19774 4565 1 16 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.797 0.001 19774 4566 1 16 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.114 0.280 19774 4567 1 16 . 1 1 81 81 GLU H H 81 9.076 9.076 8.984 0.092 19774 4568 1 16 . 1 1 82 82 GLU N N 82 119.436 119.436 118.970 0.466 19774 4569 1 16 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.147 -0.024 19774 4570 1 16 . 1 1 82 82 GLU C C 82 179.545 179.545 179.308 0.237 19774 4571 1 16 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.381 0.444 19774 4572 1 16 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.039 0.229 19774 4573 1 16 . 1 1 82 82 GLU H H 82 8.839 8.839 8.774 0.065 19774 4574 1 16 . 1 1 83 83 GLU N N 83 121.597 121.597 119.173 2.424 19774 4575 1 16 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.099 0.003 19774 4576 1 16 . 1 1 83 83 GLU C C 83 179.440 179.440 179.205 0.235 19774 4577 1 16 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.102 -0.199 19774 4578 1 16 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.262 0.765 19774 4579 1 16 . 1 1 83 83 GLU H H 83 8.029 8.029 7.594 0.435 19774 4580 1 16 . 1 1 84 84 GLN N N 84 120.565 120.565 119.958 0.607 19774 4581 1 16 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.117 -0.088 19774 4582 1 16 . 1 1 84 84 GLN C C 84 178.689 178.689 178.027 0.662 19774 4583 1 16 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.483 0.535 19774 4584 1 16 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.304 0.309 19774 4585 1 16 . 1 1 84 84 GLN H H 84 8.575 8.575 7.848 0.727 19774 4586 1 16 . 1 1 85 85 PHE N N 85 121.525 121.525 120.533 0.992 19774 4587 1 16 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.112 0.117 19774 4588 1 16 . 1 1 85 85 PHE C C 85 177.713 177.713 176.761 0.952 19774 4589 1 16 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.186 -0.863 19774 4590 1 16 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.938 -0.218 19774 4591 1 16 . 1 1 85 85 PHE H H 85 8.483 8.483 8.342 0.141 19774 4592 1 16 . 1 1 86 86 ALA N N 86 121.849 121.849 121.922 -0.073 19774 4593 1 16 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.949 0.195 19774 4594 1 16 . 1 1 86 86 ALA C C 86 180.283 180.283 179.215 1.068 19774 4595 1 16 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.018 -0.323 19774 4596 1 16 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.068 0.144 19774 4597 1 16 . 1 1 86 86 ALA H H 86 8.072 8.072 8.218 -0.146 19774 4598 1 16 . 1 1 87 87 LEU N N 87 120.459 120.459 120.078 0.381 19774 4599 1 16 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.943 0.275 19774 4600 1 16 . 1 1 87 87 LEU C C 87 178.387 178.387 178.401 -0.014 19774 4601 1 16 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.447 -0.190 19774 4602 1 16 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.389 0.486 19774 4603 1 16 . 1 1 87 87 LEU H H 87 8.010 8.010 7.751 0.259 19774 4604 1 16 . 1 1 88 88 ALA N N 88 122.123 122.123 121.597 0.526 19774 4605 1 16 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.963 0.171 19774 4606 1 16 . 1 1 88 88 ALA C C 88 180.241 180.241 179.508 0.733 19774 4607 1 16 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.747 -0.255 19774 4608 1 16 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.132 -0.273 19774 4609 1 16 . 1 1 88 88 ALA H H 88 7.981 7.981 7.558 0.423 19774 4610 1 16 . 1 1 89 89 LEU N N 89 119.923 119.923 118.903 1.020 19774 4611 1 16 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.981 0.153 19774 4612 1 16 . 1 1 89 89 LEU C C 89 178.981 178.981 179.087 -0.106 19774 4613 1 16 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.234 -0.230 19774 4614 1 16 . 1 1 89 89 LEU CB C 89 41.945 41.945 40.563 1.382 19774 4615 1 16 . 1 1 89 89 LEU H H 89 7.897 7.897 7.554 0.343 19774 4616 1 16 . 1 1 90 90 LYS N N 90 120.679 120.679 120.615 0.064 19774 4617 1 16 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.209 -0.033 19774 4618 1 16 . 1 1 90 90 LYS C C 90 178.799 178.799 179.216 -0.417 19774 4619 1 16 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.398 -1.199 19774 4620 1 16 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.394 0.049 19774 4621 1 16 . 1 1 90 90 LYS H H 90 7.913 7.913 7.965 -0.052 19774 4622 1 16 . 1 1 91 91 MET N N 91 118.958 118.958 117.702 1.256 19774 4623 1 16 . 1 1 91 91 MET HA H 91 4.366 4.366 4.056 0.310 19774 4624 1 16 . 1 1 91 91 MET C C 91 177.925 177.925 178.155 -0.230 19774 4625 1 16 . 1 1 91 91 MET CA C 91 57.121 57.121 59.603 -2.482 19774 4626 1 16 . 1 1 91 91 MET CB C 91 32.242 32.242 32.610 -0.368 19774 4627 1 16 . 1 1 91 91 MET H H 91 8.392 8.392 8.134 0.258 19774 4628 1 16 . 1 1 92 92 SER N N 92 116.458 116.458 115.251 1.207 19774 4629 1 16 . 1 1 92 92 SER HA H 92 4.376 4.376 4.355 0.021 19774 4630 1 16 . 1 1 92 92 SER C C 92 175.910 175.910 176.942 -1.032 19774 4631 1 16 . 1 1 92 92 SER CA C 92 60.139 60.139 61.062 -0.923 19774 4632 1 16 . 1 1 92 92 SER CB C 92 63.292 63.292 62.886 0.406 19774 4633 1 16 . 1 1 92 92 SER H H 92 8.268 8.268 7.781 0.487 19774 4634 1 16 . 1 1 93 93 GLU N N 93 122.379 122.379 121.909 0.470 19774 4635 1 16 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.983 0.225 19774 4636 1 16 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.308 -1.315 19774 4637 1 16 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.400 0.386 19774 4638 1 16 . 1 1 93 93 GLU H H 93 8.255 8.255 7.891 0.364 19774 4639 1 16 . 1 1 94 94 GLN C C 94 177.043 177.043 178.687 -1.644 19774 4640 1 16 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.562 -1.453 19774 4641 1 16 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.275 0.696 19774 4642 1 16 . 1 1 95 95 GLU N N 95 121.162 121.162 119.302 1.860 19774 4643 1 16 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.319 -0.153 19774 4644 1 16 . 1 1 95 95 GLU C C 95 177.150 177.150 178.796 -1.646 19774 4645 1 16 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.857 -1.278 19774 4646 1 16 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.445 0.537 19774 4647 1 16 . 1 1 95 95 GLU H H 95 8.294 8.294 7.808 0.486 19774 4648 1 16 . 1 1 96 96 ALA N N 96 123.599 123.599 121.682 1.917 19774 4649 1 16 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.159 0.154 19774 4650 1 16 . 1 1 96 96 ALA C C 96 178.276 178.276 179.699 -1.423 19774 4651 1 16 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.621 -1.439 19774 4652 1 16 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.770 -0.085 19774 4653 1 16 . 1 1 96 96 ALA H H 96 8.209 8.209 7.678 0.531 19774 4654 1 16 . 1 1 97 97 ARG N N 97 119.759 119.759 115.722 4.037 19774 4655 1 16 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.221 0.071 19774 4656 1 16 . 1 1 97 97 ARG C C 97 176.904 176.904 177.424 -0.520 19774 4657 1 16 . 1 1 97 97 ARG CA C 97 56.702 56.702 56.654 0.048 19774 4658 1 16 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.642 1.228 19774 4659 1 16 . 1 1 97 97 ARG H H 97 8.123 8.123 7.793 0.330 19774 4660 1 16 . 1 1 98 98 GLU N N 98 121.995 121.995 117.262 4.733 19774 4661 1 16 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.209 0.051 19774 4662 1 16 . 1 1 98 98 GLU C C 98 176.939 176.939 176.461 0.478 19774 4663 1 16 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.721 0.229 19774 4664 1 16 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.420 0.631 19774 4665 1 16 . 1 1 98 98 GLU H H 98 8.382 8.382 7.632 0.750 19774 4666 1 16 . 1 1 99 99 VAL N N 99 121.412 121.412 119.624 1.788 19774 4667 1 16 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.932 0.139 19774 4668 1 16 . 1 1 99 99 VAL C C 99 176.276 176.276 175.770 0.506 19774 4669 1 16 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.616 0.320 19774 4670 1 16 . 1 1 99 99 VAL CB C 99 32.750 32.750 31.933 0.817 19774 4671 1 16 . 1 1 99 99 VAL H H 99 8.269 8.269 7.152 1.117 19774 4672 1 16 . 1 1 100 100 ASN N N 100 122.455 122.455 126.349 -3.894 19774 4673 1 16 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.774 0.045 19774 4674 1 16 . 1 1 100 100 ASN C C 100 175.671 175.671 176.437 -0.766 19774 4675 1 16 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.278 0.147 19774 4676 1 16 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.462 -0.421 19774 4677 1 16 . 1 1 100 100 ASN H H 100 8.642 8.642 8.687 -0.045 19774 4678 1 16 . 1 1 101 101 SER N N 101 117.265 117.265 121.217 -3.952 19774 4679 1 16 . 1 1 101 101 SER HA H 101 4.408 4.408 4.126 0.282 19774 4680 1 16 . 1 1 101 101 SER C C 101 175.147 175.147 175.763 -0.616 19774 4681 1 16 . 1 1 101 101 SER CA C 101 59.187 59.187 61.294 -2.107 19774 4682 1 16 . 1 1 101 101 SER CB C 101 63.672 63.672 62.909 0.763 19774 4683 1 16 . 1 1 101 101 SER H H 101 8.548 8.548 8.999 -0.451 19774 4684 1 16 . 1 1 102 102 GLN N N 102 122.686 122.686 120.518 2.168 19774 4685 1 16 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.118 0.174 19774 4686 1 16 . 1 1 102 102 GLN C C 102 177.127 177.127 178.185 -1.058 19774 4687 1 16 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.609 -1.224 19774 4688 1 16 . 1 1 102 102 GLN CB C 102 28.800 28.800 27.807 0.993 19774 4689 1 16 . 1 1 102 102 GLN H H 102 8.596 8.596 8.712 -0.116 19774 4690 1 16 . 1 1 103 103 GLU N N 103 121.071 121.071 119.091 1.980 19774 4691 1 16 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.236 -0.060 19774 4692 1 16 . 1 1 103 103 GLU C C 103 178.080 178.080 178.778 -0.698 19774 4693 1 16 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.286 -0.986 19774 4694 1 16 . 1 1 103 103 GLU CB C 103 29.701 29.701 28.833 0.868 19774 4695 1 16 . 1 1 103 103 GLU H H 103 8.502 8.502 7.926 0.576 19774 4696 1 16 . 1 1 104 104 GLU N N 104 121.073 121.073 120.262 0.811 19774 4697 1 16 . 1 1 104 104 GLU C C 104 178.186 178.186 178.896 -0.710 19774 4698 1 16 . 1 1 104 104 GLU H H 104 8.389 8.389 7.715 0.674 19774 4699 1 16 . 1 1 105 105 GLU N N 105 121.561 121.561 120.688 0.873 19774 4700 1 16 . 1 1 105 105 GLU C C 105 178.380 178.380 178.845 -0.465 19774 4701 1 16 . 1 1 105 105 GLU H H 105 8.454 8.454 7.642 0.812 19774 4702 1 16 . 1 1 106 106 GLU N N 106 120.852 120.852 119.142 1.710 19774 4703 1 16 . 1 1 106 106 GLU C C 106 178.758 178.758 178.757 0.001 19774 4704 1 16 . 1 1 106 106 GLU H H 106 8.473 8.473 8.290 0.183 19774 4705 1 16 . 1 1 107 107 GLU N N 107 120.445 120.445 119.973 0.472 19774 4706 1 16 . 1 1 107 107 GLU C C 107 178.661 178.661 178.474 0.187 19774 4707 1 16 . 1 1 107 107 GLU H H 107 8.396 8.396 7.778 0.618 19774 4708 1 16 . 1 1 108 108 GLU N N 108 121.089 121.089 120.022 1.067 19774 4709 1 16 . 1 1 108 108 GLU C C 108 178.454 178.454 179.124 -0.670 19774 4710 1 16 . 1 1 108 108 GLU H H 108 8.139 8.139 7.595 0.544 19774 4711 1 16 . 1 1 109 109 LEU N N 109 120.552 120.552 120.373 0.179 19774 4712 1 16 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.011 0.102 19774 4713 1 16 . 1 1 109 109 LEU C C 109 180.104 180.104 178.942 1.162 19774 4714 1 16 . 1 1 109 109 LEU CA C 109 57.910 57.910 58.265 -0.355 19774 4715 1 16 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.780 -0.089 19774 4716 1 16 . 1 1 109 109 LEU H H 109 8.097 8.097 7.682 0.415 19774 4717 1 16 . 1 1 110 110 LEU N N 110 121.275 121.275 119.240 2.035 19774 4718 1 16 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.852 0.387 19774 4719 1 16 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.187 -0.692 19774 4720 1 16 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.313 0.343 19774 4721 1 16 . 1 1 110 110 LEU H H 110 7.964 7.964 8.193 -0.229 19774 4722 1 16 . 1 1 112 112 LYS N N 112 120.602 120.602 119.655 0.947 19774 4723 1 16 . 1 1 112 112 LYS C C 112 177.904 177.904 178.663 -0.759 19774 4724 1 16 . 1 1 112 112 LYS H H 112 8.279 8.279 7.745 0.534 19774 4725 1 16 . 1 1 113 113 ALA N N 113 122.972 122.972 121.927 1.045 19774 4726 1 16 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.123 0.159 19774 4727 1 16 . 1 1 113 113 ALA C C 113 180.557 180.557 179.911 0.646 19774 4728 1 16 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.876 -0.399 19774 4729 1 16 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.379 -0.113 19774 4730 1 16 . 1 1 113 113 ALA H H 113 7.992 7.992 7.981 0.011 19774 4731 1 16 . 1 1 114 114 ILE N N 114 120.299 120.299 118.793 1.506 19774 4732 1 16 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.599 0.250 19774 4733 1 16 . 1 1 114 114 ILE C C 114 178.314 178.314 177.809 0.505 19774 4734 1 16 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.132 -1.349 19774 4735 1 16 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.760 0.571 19774 4736 1 16 . 1 1 114 114 ILE H H 114 8.231 8.231 7.907 0.324 19774 4737 1 16 . 1 1 115 115 ALA N N 115 124.227 124.227 121.952 2.275 19774 4738 1 16 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.948 0.260 19774 4739 1 16 . 1 1 115 115 ALA C C 115 179.824 179.824 179.662 0.162 19774 4740 1 16 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.360 -0.803 19774 4741 1 16 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.929 0.352 19774 4742 1 16 . 1 1 115 115 ALA H H 115 8.087 8.087 7.770 0.317 19774 4743 1 16 . 1 1 116 116 GLU N N 116 118.344 118.344 118.131 0.213 19774 4744 1 16 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.912 0.296 19774 4745 1 16 . 1 1 116 116 GLU C C 116 178.142 178.142 179.083 -0.941 19774 4746 1 16 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.300 -1.312 19774 4747 1 16 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.415 0.238 19774 4748 1 16 . 1 1 116 116 GLU H H 116 8.322 8.322 8.023 0.299 19774 4749 1 16 . 1 1 117 117 SER N N 117 115.778 115.778 115.648 0.130 19774 4750 1 16 . 1 1 117 117 SER HA H 117 4.380 4.380 4.218 0.162 19774 4751 1 16 . 1 1 117 117 SER C C 117 175.595 175.595 176.790 -1.195 19774 4752 1 16 . 1 1 117 117 SER CA C 117 59.926 59.926 61.557 -1.631 19774 4753 1 16 . 1 1 117 117 SER CB C 117 63.351 63.351 63.010 0.341 19774 4754 1 16 . 1 1 117 117 SER H H 117 8.050 8.050 7.778 0.272 19774 4755 1 16 . 1 1 118 118 LEU N N 118 122.792 122.792 120.360 2.432 19774 4756 1 16 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.107 0.175 19774 4757 1 16 . 1 1 118 118 LEU C C 118 177.998 177.998 178.983 -0.985 19774 4758 1 16 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.465 -1.324 19774 4759 1 16 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.597 0.477 19774 4760 1 16 . 1 1 118 118 LEU H H 118 7.984 7.984 7.818 0.166 19774 4761 1 16 . 1 1 119 119 ASN N N 119 118.030 118.030 115.847 2.183 19774 4762 1 16 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.572 0.131 19774 4763 1 16 . 1 1 119 119 ASN C C 119 175.640 175.640 176.663 -1.023 19774 4764 1 16 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.030 -1.269 19774 4765 1 16 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.875 -0.052 19774 4766 1 16 . 1 1 119 119 ASN H H 119 8.199 8.199 7.952 0.247 19774 4767 1 16 . 1 1 120 120 SER N N 120 115.677 115.677 113.751 1.926 19774 4768 1 16 . 1 1 120 120 SER HA H 120 4.473 4.473 4.486 -0.013 19774 4769 1 16 . 1 1 120 120 SER CA C 120 58.803 58.803 58.442 0.361 19774 4770 1 16 . 1 1 120 120 SER CB C 120 63.708 63.708 63.714 -0.006 19774 4771 1 16 . 1 1 120 120 SER H H 120 8.200 8.200 7.807 0.393 19774 4772 1 16 . 1 1 123 123 PRO C C 123 177.186 177.186 176.173 1.013 19774 4773 1 16 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.822 0.536 19774 4774 1 16 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.023 0.140 19774 4775 1 16 . 1 1 124 124 SER N N 124 116.200 116.200 117.426 -1.226 19774 4776 1 16 . 1 1 124 124 SER HA H 124 4.990 4.990 4.215 0.775 19774 4777 1 16 . 1 1 124 124 SER C C 124 174.548 174.548 174.766 -0.218 19774 4778 1 16 . 1 1 124 124 SER CA C 124 58.600 58.600 58.839 -0.239 19774 4779 1 16 . 1 1 124 124 SER CB C 124 63.727 63.727 63.841 -0.114 19774 4780 1 16 . 1 1 124 124 SER H H 124 8.596 8.596 8.247 0.349 19774 4781 1 16 . 1 1 125 125 ASP N N 125 122.649 122.649 126.038 -3.389 19774 4782 1 16 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.659 -0.051 19774 4783 1 16 . 1 1 125 125 ASP C C 125 176.378 176.378 177.466 -1.088 19774 4784 1 16 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.627 -0.380 19774 4785 1 16 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.541 -0.461 19774 4786 1 16 . 1 1 125 125 ASP H H 125 8.427 8.427 8.645 -0.218 19774 4787 1 16 . 1 1 126 126 ALA N N 126 124.975 124.975 126.547 -1.572 19774 4788 1 16 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.126 0.177 19774 4789 1 16 . 1 1 126 126 ALA C C 126 178.138 178.138 177.919 0.219 19774 4790 1 16 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.232 -1.165 19774 4791 1 16 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.593 0.326 19774 4792 1 16 . 1 1 126 126 ALA H H 126 8.401 8.401 8.437 -0.036 19774 4793 1 16 . 1 1 127 127 SER N N 127 114.892 114.892 113.048 1.844 19774 4794 1 16 . 1 1 127 127 SER HA H 127 4.380 4.380 4.311 0.069 19774 4795 1 16 . 1 1 127 127 SER C C 127 174.582 174.582 174.979 -0.397 19774 4796 1 16 . 1 1 127 127 SER CA C 127 58.826 58.826 58.709 0.117 19774 4797 1 16 . 1 1 127 127 SER CB C 127 63.662 63.662 63.324 0.338 19774 4798 1 16 . 1 1 127 127 SER H H 127 8.403 8.403 7.827 0.576 19774 4799 1 16 . 1 1 128 128 ALA N N 128 125.815 125.815 123.800 2.015 19774 4800 1 16 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.053 0.336 19774 4801 1 16 . 1 1 128 128 ALA C C 128 177.957 177.957 176.551 1.406 19774 4802 1 16 . 1 1 128 128 ALA CA C 128 52.712 52.712 52.910 -0.198 19774 4803 1 16 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.233 2.011 19774 4804 1 16 . 1 1 128 128 ALA H H 128 8.266 8.266 7.797 0.469 19774 4805 1 16 . 1 1 129 129 THR N N 129 113.766 113.766 115.229 -1.463 19774 4806 1 16 . 1 1 129 129 THR HA H 129 4.310 4.310 4.204 0.106 19774 4807 1 16 . 1 1 129 129 THR C C 129 174.414 174.414 174.468 -0.054 19774 4808 1 16 . 1 1 129 129 THR CA C 129 62.010 62.010 63.105 -1.095 19774 4809 1 16 . 1 1 129 129 THR CB C 129 69.748 69.748 69.303 0.445 19774 4810 1 16 . 1 1 129 129 THR H H 129 8.200 8.200 8.033 0.167 19774 4811 1 16 . 1 1 130 130 ARG N N 130 124.611 124.611 125.119 -0.508 19774 4812 1 16 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.477 -0.027 19774 4813 1 16 . 1 1 130 130 ARG C C 130 175.443 175.443 176.538 -1.095 19774 4814 1 16 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.145 0.834 19774 4815 1 16 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.372 0.531 19774 4816 1 16 . 1 1 130 130 ARG H H 130 8.457 8.457 8.539 -0.082 19774 4817 1 17 . 1 1 -2 -2 LEU N N -2 122.796 122.796 119.377 3.419 19774 4818 1 17 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.322 0.023 19774 4819 1 17 . 1 1 -2 -2 LEU C C -2 178.154 178.154 178.318 -0.164 19774 4820 1 17 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.873 -0.281 19774 4821 1 17 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.890 0.338 19774 4822 1 17 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.632 1.072 19774 4823 1 17 . 1 1 -1 -1 GLY N N -1 110.002 110.002 108.776 1.226 19774 4824 1 17 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.945 -0.477 19774 4825 1 17 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 44.966 0.357 19774 4826 1 17 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.831 -0.283 19774 4827 1 17 . 1 1 75 75 LYS N N 75 123.250 123.250 122.377 0.873 19774 4828 1 17 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.353 -0.050 19774 4829 1 17 . 1 1 75 75 LYS C C 75 176.826 176.826 176.515 0.311 19774 4830 1 17 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.005 0.376 19774 4831 1 17 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.124 -0.250 19774 4832 1 17 . 1 1 75 75 LYS H H 75 8.447 8.447 8.333 0.114 19774 4833 1 17 . 1 1 76 76 ILE N N 76 123.138 123.138 121.863 1.275 19774 4834 1 17 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.132 -0.040 19774 4835 1 17 . 1 1 76 76 ILE C C 76 176.311 176.311 176.560 -0.249 19774 4836 1 17 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.830 0.758 19774 4837 1 17 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.279 0.290 19774 4838 1 17 . 1 1 76 76 ILE H H 76 8.315 8.315 8.262 0.053 19774 4839 1 17 . 1 1 77 77 ALA N N 77 127.035 127.035 130.067 -3.032 19774 4840 1 17 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.342 -0.084 19774 4841 1 17 . 1 1 77 77 ALA C C 77 177.642 177.642 177.407 0.235 19774 4842 1 17 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.603 1.232 19774 4843 1 17 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.513 -0.413 19774 4844 1 17 . 1 1 77 77 ALA H H 77 8.446 8.446 8.124 0.322 19774 4845 1 17 . 1 1 78 78 GLN N N 78 119.150 119.150 119.493 -0.343 19774 4846 1 17 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.200 0.113 19774 4847 1 17 . 1 1 78 78 GLN C C 78 176.025 176.025 175.503 0.522 19774 4848 1 17 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.857 -0.136 19774 4849 1 17 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.192 0.339 19774 4850 1 17 . 1 1 78 78 GLN H H 78 8.323 8.323 8.355 -0.032 19774 4851 1 17 . 1 1 79 79 MET N N 79 122.456 122.456 121.279 1.177 19774 4852 1 17 . 1 1 79 79 MET HA H 79 4.619 4.619 4.871 -0.252 19774 4853 1 17 . 1 1 79 79 MET C C 79 177.080 177.080 177.170 -0.090 19774 4854 1 17 . 1 1 79 79 MET CA C 79 56.021 56.021 54.567 1.454 19774 4855 1 17 . 1 1 79 79 MET CB C 79 34.723 34.723 33.342 1.381 19774 4856 1 17 . 1 1 79 79 MET H H 79 8.410 8.410 8.225 0.185 19774 4857 1 17 . 1 1 80 80 THR N N 80 115.145 115.145 115.250 -0.105 19774 4858 1 17 . 1 1 80 80 THR HA H 80 4.390 4.390 4.486 -0.096 19774 4859 1 17 . 1 1 80 80 THR C C 80 175.463 175.463 175.972 -0.509 19774 4860 1 17 . 1 1 80 80 THR CA C 80 61.546 61.546 60.679 0.867 19774 4861 1 17 . 1 1 80 80 THR CB C 80 70.845 70.845 70.911 -0.066 19774 4862 1 17 . 1 1 80 80 THR H H 80 8.915 8.915 8.540 0.375 19774 4863 1 17 . 1 1 81 81 GLU N N 81 122.254 122.254 121.916 0.338 19774 4864 1 17 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.983 0.024 19774 4865 1 17 . 1 1 81 81 GLU C C 81 178.734 178.734 178.784 -0.050 19774 4866 1 17 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.706 0.092 19774 4867 1 17 . 1 1 81 81 GLU CB C 81 29.394 29.394 28.792 0.602 19774 4868 1 17 . 1 1 81 81 GLU H H 81 9.076 9.076 8.987 0.089 19774 4869 1 17 . 1 1 82 82 GLU N N 82 119.436 119.436 119.533 -0.097 19774 4870 1 17 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.147 -0.024 19774 4871 1 17 . 1 1 82 82 GLU C C 82 179.545 179.545 179.144 0.401 19774 4872 1 17 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.332 0.493 19774 4873 1 17 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.260 0.008 19774 4874 1 17 . 1 1 82 82 GLU H H 82 8.839 8.839 8.736 0.103 19774 4875 1 17 . 1 1 83 83 GLU N N 83 121.597 121.597 119.605 1.992 19774 4876 1 17 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.021 0.081 19774 4877 1 17 . 1 1 83 83 GLU C C 83 179.440 179.440 179.014 0.426 19774 4878 1 17 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.147 -0.244 19774 4879 1 17 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.504 0.523 19774 4880 1 17 . 1 1 83 83 GLU H H 83 8.029 8.029 7.576 0.453 19774 4881 1 17 . 1 1 84 84 GLN N N 84 120.565 120.565 119.843 0.722 19774 4882 1 17 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.098 -0.069 19774 4883 1 17 . 1 1 84 84 GLN C C 84 178.689 178.689 178.173 0.516 19774 4884 1 17 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.612 0.407 19774 4885 1 17 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.310 0.303 19774 4886 1 17 . 1 1 84 84 GLN H H 84 8.575 8.575 7.888 0.687 19774 4887 1 17 . 1 1 85 85 PHE N N 85 121.525 121.525 120.263 1.262 19774 4888 1 17 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.161 0.068 19774 4889 1 17 . 1 1 85 85 PHE C C 85 177.713 177.713 176.841 0.872 19774 4890 1 17 . 1 1 85 85 PHE CA C 85 60.323 60.323 60.789 -0.466 19774 4891 1 17 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.869 -0.149 19774 4892 1 17 . 1 1 85 85 PHE H H 85 8.483 8.483 7.998 0.485 19774 4893 1 17 . 1 1 86 86 ALA N N 86 121.849 121.849 122.437 -0.588 19774 4894 1 17 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.908 0.236 19774 4895 1 17 . 1 1 86 86 ALA C C 86 180.283 180.283 179.451 0.832 19774 4896 1 17 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.070 -0.375 19774 4897 1 17 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.148 0.064 19774 4898 1 17 . 1 1 86 86 ALA H H 86 8.072 8.072 8.029 0.043 19774 4899 1 17 . 1 1 87 87 LEU N N 87 120.459 120.459 119.634 0.825 19774 4900 1 17 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.921 0.297 19774 4901 1 17 . 1 1 87 87 LEU C C 87 178.387 178.387 178.850 -0.463 19774 4902 1 17 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.936 -0.679 19774 4903 1 17 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.388 0.487 19774 4904 1 17 . 1 1 87 87 LEU H H 87 8.010 8.010 8.238 -0.228 19774 4905 1 17 . 1 1 88 88 ALA N N 88 122.123 122.123 121.844 0.279 19774 4906 1 17 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.979 0.155 19774 4907 1 17 . 1 1 88 88 ALA C C 88 180.241 180.241 179.696 0.545 19774 4908 1 17 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.790 -0.298 19774 4909 1 17 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.144 -0.285 19774 4910 1 17 . 1 1 88 88 ALA H H 88 7.981 7.981 7.566 0.415 19774 4911 1 17 . 1 1 89 89 LEU N N 89 119.923 119.923 118.541 1.382 19774 4912 1 17 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.776 0.358 19774 4913 1 17 . 1 1 89 89 LEU C C 89 178.981 178.981 178.967 0.014 19774 4914 1 17 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.342 -0.338 19774 4915 1 17 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.416 0.529 19774 4916 1 17 . 1 1 89 89 LEU H H 89 7.897 7.897 7.423 0.474 19774 4917 1 17 . 1 1 90 90 LYS N N 90 120.679 120.679 120.067 0.612 19774 4918 1 17 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.037 0.139 19774 4919 1 17 . 1 1 90 90 LYS C C 90 178.799 178.799 178.896 -0.097 19774 4920 1 17 . 1 1 90 90 LYS CA C 90 58.199 58.199 58.803 -0.604 19774 4921 1 17 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.216 0.227 19774 4922 1 17 . 1 1 90 90 LYS H H 90 7.913 7.913 7.783 0.130 19774 4923 1 17 . 1 1 91 91 MET N N 91 118.958 118.958 118.458 0.500 19774 4924 1 17 . 1 1 91 91 MET HA H 91 4.366 4.366 4.004 0.362 19774 4925 1 17 . 1 1 91 91 MET C C 91 177.925 177.925 178.193 -0.268 19774 4926 1 17 . 1 1 91 91 MET CA C 91 57.121 57.121 59.818 -2.697 19774 4927 1 17 . 1 1 91 91 MET CB C 91 32.242 32.242 32.463 -0.221 19774 4928 1 17 . 1 1 91 91 MET H H 91 8.392 8.392 8.184 0.208 19774 4929 1 17 . 1 1 92 92 SER N N 92 116.458 116.458 116.056 0.402 19774 4930 1 17 . 1 1 92 92 SER HA H 92 4.376 4.376 4.287 0.089 19774 4931 1 17 . 1 1 92 92 SER C C 92 175.910 175.910 176.679 -0.769 19774 4932 1 17 . 1 1 92 92 SER CA C 92 60.139 60.139 62.190 -2.051 19774 4933 1 17 . 1 1 92 92 SER CB C 92 63.292 63.292 62.944 0.348 19774 4934 1 17 . 1 1 92 92 SER H H 92 8.268 8.268 7.749 0.519 19774 4935 1 17 . 1 1 93 93 GLU N N 93 122.379 122.379 121.335 1.044 19774 4936 1 17 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.964 0.244 19774 4937 1 17 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.383 -1.391 19774 4938 1 17 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.512 0.274 19774 4939 1 17 . 1 1 93 93 GLU H H 93 8.255 8.255 7.685 0.570 19774 4940 1 17 . 1 1 94 94 GLN C C 94 177.043 177.043 178.752 -1.709 19774 4941 1 17 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.558 -1.449 19774 4942 1 17 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.311 0.660 19774 4943 1 17 . 1 1 95 95 GLU N N 95 121.162 121.162 119.633 1.529 19774 4944 1 17 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.040 0.126 19774 4945 1 17 . 1 1 95 95 GLU C C 95 177.150 177.150 178.555 -1.405 19774 4946 1 17 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.788 -1.209 19774 4947 1 17 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.379 0.603 19774 4948 1 17 . 1 1 95 95 GLU H H 95 8.294 8.294 7.972 0.322 19774 4949 1 17 . 1 1 96 96 ALA N N 96 123.599 123.599 121.563 2.036 19774 4950 1 17 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.133 0.180 19774 4951 1 17 . 1 1 96 96 ALA C C 96 178.276 178.276 179.770 -1.494 19774 4952 1 17 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.651 -1.469 19774 4953 1 17 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.809 -0.124 19774 4954 1 17 . 1 1 96 96 ALA H H 96 8.209 8.209 7.657 0.552 19774 4955 1 17 . 1 1 97 97 ARG N N 97 119.759 119.759 116.627 3.132 19774 4956 1 17 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.103 0.189 19774 4957 1 17 . 1 1 97 97 ARG C C 97 176.904 176.904 177.817 -0.913 19774 4958 1 17 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.771 -1.069 19774 4959 1 17 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.924 0.946 19774 4960 1 17 . 1 1 97 97 ARG H H 97 8.123 8.123 7.945 0.178 19774 4961 1 17 . 1 1 98 98 GLU N N 98 121.995 121.995 116.784 5.211 19774 4962 1 17 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.287 -0.027 19774 4963 1 17 . 1 1 98 98 GLU C C 98 176.939 176.939 176.446 0.493 19774 4964 1 17 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.464 0.486 19774 4965 1 17 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.248 0.803 19774 4966 1 17 . 1 1 98 98 GLU H H 98 8.382 8.382 7.652 0.730 19774 4967 1 17 . 1 1 99 99 VAL N N 99 121.412 121.412 120.765 0.647 19774 4968 1 17 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.992 0.079 19774 4969 1 17 . 1 1 99 99 VAL C C 99 176.276 176.276 175.379 0.897 19774 4970 1 17 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.220 0.716 19774 4971 1 17 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.150 0.600 19774 4972 1 17 . 1 1 99 99 VAL H H 99 8.269 8.269 7.304 0.965 19774 4973 1 17 . 1 1 100 100 ASN N N 100 122.455 122.455 125.126 -2.671 19774 4974 1 17 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.740 0.079 19774 4975 1 17 . 1 1 100 100 ASN C C 100 175.671 175.671 175.425 0.246 19774 4976 1 17 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.017 0.408 19774 4977 1 17 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.400 -0.360 19774 4978 1 17 . 1 1 100 100 ASN H H 100 8.642 8.642 8.720 -0.078 19774 4979 1 17 . 1 1 101 101 SER N N 101 117.265 117.265 117.513 -0.248 19774 4980 1 17 . 1 1 101 101 SER HA H 101 4.408 4.408 4.249 0.159 19774 4981 1 17 . 1 1 101 101 SER C C 101 175.147 175.147 175.962 -0.815 19774 4982 1 17 . 1 1 101 101 SER CA C 101 59.187 59.187 60.463 -1.276 19774 4983 1 17 . 1 1 101 101 SER CB C 101 63.672 63.672 63.245 0.427 19774 4984 1 17 . 1 1 101 101 SER H H 101 8.548 8.548 9.066 -0.518 19774 4985 1 17 . 1 1 102 102 GLN N N 102 122.686 122.686 120.295 2.391 19774 4986 1 17 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.075 0.217 19774 4987 1 17 . 1 1 102 102 GLN C C 102 177.127 177.127 178.189 -1.062 19774 4988 1 17 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.985 -1.600 19774 4989 1 17 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.061 0.739 19774 4990 1 17 . 1 1 102 102 GLN H H 102 8.596 8.596 8.602 -0.006 19774 4991 1 17 . 1 1 103 103 GLU N N 103 121.071 121.071 119.907 1.164 19774 4992 1 17 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.014 0.162 19774 4993 1 17 . 1 1 103 103 GLU C C 103 178.080 178.080 178.820 -0.740 19774 4994 1 17 . 1 1 103 103 GLU CA C 103 58.301 58.301 60.030 -1.729 19774 4995 1 17 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.230 0.471 19774 4996 1 17 . 1 1 103 103 GLU H H 103 8.502 8.502 8.021 0.481 19774 4997 1 17 . 1 1 104 104 GLU N N 104 121.073 121.073 119.046 2.027 19774 4998 1 17 . 1 1 104 104 GLU C C 104 178.186 178.186 179.019 -0.833 19774 4999 1 17 . 1 1 104 104 GLU H H 104 8.389 8.389 7.821 0.568 19774 5000 1 17 . 1 1 105 105 GLU N N 105 121.561 121.561 120.113 1.448 19774 5001 1 17 . 1 1 105 105 GLU C C 105 178.380 178.380 178.448 -0.068 19774 5002 1 17 . 1 1 105 105 GLU H H 105 8.454 8.454 7.909 0.545 19774 5003 1 17 . 1 1 106 106 GLU N N 106 120.852 120.852 120.193 0.659 19774 5004 1 17 . 1 1 106 106 GLU C C 106 178.758 178.758 178.958 -0.200 19774 5005 1 17 . 1 1 106 106 GLU H H 106 8.473 8.473 8.340 0.133 19774 5006 1 17 . 1 1 107 107 GLU N N 107 120.445 120.445 119.077 1.368 19774 5007 1 17 . 1 1 107 107 GLU C C 107 178.661 178.661 178.892 -0.231 19774 5008 1 17 . 1 1 107 107 GLU H H 107 8.396 8.396 7.749 0.647 19774 5009 1 17 . 1 1 108 108 GLU N N 108 121.089 121.089 120.373 0.716 19774 5010 1 17 . 1 1 108 108 GLU C C 108 178.454 178.454 179.050 -0.596 19774 5011 1 17 . 1 1 108 108 GLU H H 108 8.139 8.139 7.589 0.550 19774 5012 1 17 . 1 1 109 109 LEU N N 109 120.552 120.552 120.165 0.387 19774 5013 1 17 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.014 0.099 19774 5014 1 17 . 1 1 109 109 LEU C C 109 180.104 180.104 179.410 0.694 19774 5015 1 17 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.556 0.354 19774 5016 1 17 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.791 -0.100 19774 5017 1 17 . 1 1 109 109 LEU H H 109 8.097 8.097 8.351 -0.254 19774 5018 1 17 . 1 1 110 110 LEU N N 110 121.275 121.275 120.275 1.000 19774 5019 1 17 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.965 0.274 19774 5020 1 17 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.055 -0.560 19774 5021 1 17 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.548 0.108 19774 5022 1 17 . 1 1 110 110 LEU H H 110 7.964 7.964 8.243 -0.279 19774 5023 1 17 . 1 1 112 112 LYS N N 112 120.602 120.602 119.496 1.106 19774 5024 1 17 . 1 1 112 112 LYS C C 112 177.904 177.904 178.451 -0.547 19774 5025 1 17 . 1 1 112 112 LYS H H 112 8.279 8.279 7.841 0.438 19774 5026 1 17 . 1 1 113 113 ALA N N 113 122.972 122.972 122.110 0.862 19774 5027 1 17 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.136 0.146 19774 5028 1 17 . 1 1 113 113 ALA C C 113 180.557 180.557 179.943 0.614 19774 5029 1 17 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.877 -0.401 19774 5030 1 17 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.286 -0.020 19774 5031 1 17 . 1 1 113 113 ALA H H 113 7.992 7.992 7.990 0.002 19774 5032 1 17 . 1 1 114 114 ILE N N 114 120.299 120.299 118.939 1.360 19774 5033 1 17 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.602 0.247 19774 5034 1 17 . 1 1 114 114 ILE C C 114 178.314 178.314 177.710 0.604 19774 5035 1 17 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.289 -1.506 19774 5036 1 17 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.838 0.493 19774 5037 1 17 . 1 1 114 114 ILE H H 114 8.231 8.231 7.806 0.425 19774 5038 1 17 . 1 1 115 115 ALA N N 115 124.227 124.227 121.922 2.305 19774 5039 1 17 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.947 0.261 19774 5040 1 17 . 1 1 115 115 ALA C C 115 179.824 179.824 179.666 0.158 19774 5041 1 17 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.384 -0.827 19774 5042 1 17 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.958 0.323 19774 5043 1 17 . 1 1 115 115 ALA H H 115 8.087 8.087 7.858 0.229 19774 5044 1 17 . 1 1 116 116 GLU N N 116 118.344 118.344 118.761 -0.417 19774 5045 1 17 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.957 0.251 19774 5046 1 17 . 1 1 116 116 GLU C C 116 178.142 178.142 179.444 -1.302 19774 5047 1 17 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.269 -1.281 19774 5048 1 17 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.472 0.181 19774 5049 1 17 . 1 1 116 116 GLU H H 116 8.322 8.322 8.298 0.024 19774 5050 1 17 . 1 1 117 117 SER N N 117 115.778 115.778 115.794 -0.016 19774 5051 1 17 . 1 1 117 117 SER HA H 117 4.380 4.380 4.185 0.195 19774 5052 1 17 . 1 1 117 117 SER C C 117 175.595 175.595 176.238 -0.643 19774 5053 1 17 . 1 1 117 117 SER CA C 117 59.926 59.926 62.253 -2.327 19774 5054 1 17 . 1 1 117 117 SER CB C 117 63.351 63.351 63.078 0.273 19774 5055 1 17 . 1 1 117 117 SER H H 117 8.050 8.050 7.954 0.096 19774 5056 1 17 . 1 1 118 118 LEU N N 118 122.792 122.792 121.158 1.634 19774 5057 1 17 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.133 0.149 19774 5058 1 17 . 1 1 118 118 LEU C C 118 177.998 177.998 179.259 -1.261 19774 5059 1 17 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.586 -1.445 19774 5060 1 17 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.818 0.256 19774 5061 1 17 . 1 1 118 118 LEU H H 118 7.984 7.984 7.777 0.207 19774 5062 1 17 . 1 1 119 119 ASN N N 119 118.030 118.030 117.549 0.481 19774 5063 1 17 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.539 0.164 19774 5064 1 17 . 1 1 119 119 ASN C C 119 175.640 175.640 176.595 -0.955 19774 5065 1 17 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.920 -2.159 19774 5066 1 17 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.633 0.190 19774 5067 1 17 . 1 1 119 119 ASN H H 119 8.199 8.199 8.309 -0.110 19774 5068 1 17 . 1 1 120 120 SER N N 120 115.677 115.677 113.235 2.442 19774 5069 1 17 . 1 1 120 120 SER HA H 120 4.473 4.473 4.438 0.035 19774 5070 1 17 . 1 1 120 120 SER CA C 120 58.803 58.803 59.003 -0.200 19774 5071 1 17 . 1 1 120 120 SER CB C 120 63.708 63.708 63.780 -0.072 19774 5072 1 17 . 1 1 120 120 SER H H 120 8.200 8.200 7.804 0.396 19774 5073 1 17 . 1 1 123 123 PRO C C 123 177.186 177.186 176.140 1.046 19774 5074 1 17 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.765 0.593 19774 5075 1 17 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.328 -0.165 19774 5076 1 17 . 1 1 124 124 SER N N 124 116.200 116.200 117.763 -1.563 19774 5077 1 17 . 1 1 124 124 SER HA H 124 4.990 4.990 4.449 0.541 19774 5078 1 17 . 1 1 124 124 SER C C 124 174.548 174.548 174.443 0.105 19774 5079 1 17 . 1 1 124 124 SER CA C 124 58.600 58.600 58.085 0.515 19774 5080 1 17 . 1 1 124 124 SER CB C 124 63.727 63.727 63.780 -0.053 19774 5081 1 17 . 1 1 124 124 SER H H 124 8.596 8.596 8.346 0.250 19774 5082 1 17 . 1 1 125 125 ASP N N 125 122.649 122.649 124.159 -1.510 19774 5083 1 17 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.677 -0.069 19774 5084 1 17 . 1 1 125 125 ASP C C 125 176.378 176.378 176.808 -0.430 19774 5085 1 17 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.671 -0.424 19774 5086 1 17 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.613 -0.533 19774 5087 1 17 . 1 1 125 125 ASP H H 125 8.427 8.427 8.550 -0.123 19774 5088 1 17 . 1 1 126 126 ALA N N 126 124.975 124.975 127.156 -2.181 19774 5089 1 17 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.120 0.183 19774 5090 1 17 . 1 1 126 126 ALA C C 126 178.138 178.138 178.205 -0.067 19774 5091 1 17 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.169 -1.102 19774 5092 1 17 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.777 0.142 19774 5093 1 17 . 1 1 126 126 ALA H H 126 8.401 8.401 8.473 -0.072 19774 5094 1 17 . 1 1 127 127 SER N N 127 114.892 114.892 112.961 1.931 19774 5095 1 17 . 1 1 127 127 SER HA H 127 4.380 4.380 4.325 0.055 19774 5096 1 17 . 1 1 127 127 SER C C 127 174.582 174.582 174.827 -0.245 19774 5097 1 17 . 1 1 127 127 SER CA C 127 58.826 58.826 58.689 0.137 19774 5098 1 17 . 1 1 127 127 SER CB C 127 63.662 63.662 63.432 0.230 19774 5099 1 17 . 1 1 127 127 SER H H 127 8.403 8.403 7.973 0.430 19774 5100 1 17 . 1 1 128 128 ALA N N 128 125.815 125.815 123.414 2.401 19774 5101 1 17 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.132 0.257 19774 5102 1 17 . 1 1 128 128 ALA C C 128 177.957 177.957 176.729 1.228 19774 5103 1 17 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.004 -0.292 19774 5104 1 17 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.438 1.806 19774 5105 1 17 . 1 1 128 128 ALA H H 128 8.266 8.266 7.350 0.916 19774 5106 1 17 . 1 1 129 129 THR N N 129 113.766 113.766 116.032 -2.266 19774 5107 1 17 . 1 1 129 129 THR HA H 129 4.310 4.310 4.248 0.062 19774 5108 1 17 . 1 1 129 129 THR C C 129 174.414 174.414 174.555 -0.141 19774 5109 1 17 . 1 1 129 129 THR CA C 129 62.010 62.010 63.236 -1.226 19774 5110 1 17 . 1 1 129 129 THR CB C 129 69.748 69.748 69.367 0.381 19774 5111 1 17 . 1 1 129 129 THR H H 129 8.200 8.200 7.652 0.548 19774 5112 1 17 . 1 1 130 130 ARG N N 130 124.611 124.611 126.974 -2.363 19774 5113 1 17 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.383 0.067 19774 5114 1 17 . 1 1 130 130 ARG C C 130 175.443 175.443 174.957 0.486 19774 5115 1 17 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.880 -0.901 19774 5116 1 17 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.681 0.222 19774 5117 1 17 . 1 1 130 130 ARG H H 130 8.457 8.457 8.633 -0.176 19774 5118 1 18 . 1 1 -2 -2 LEU N N -2 122.796 122.796 122.221 0.575 19774 5119 1 18 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.400 -0.055 19774 5120 1 18 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.161 0.993 19774 5121 1 18 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.374 0.218 19774 5122 1 18 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 42.484 -0.256 19774 5123 1 18 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.392 0.312 19774 5124 1 18 . 1 1 -1 -1 GLY N N -1 110.002 110.002 110.612 -0.610 19774 5125 1 18 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.442 0.026 19774 5126 1 18 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.042 0.281 19774 5127 1 18 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.365 0.183 19774 5128 1 18 . 1 1 75 75 LYS N N 75 123.250 123.250 121.517 1.733 19774 5129 1 18 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.536 -0.233 19774 5130 1 18 . 1 1 75 75 LYS C C 75 176.826 176.826 176.410 0.416 19774 5131 1 18 . 1 1 75 75 LYS CA C 75 56.381 56.381 55.413 0.968 19774 5132 1 18 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.035 -0.161 19774 5133 1 18 . 1 1 75 75 LYS H H 75 8.447 8.447 8.338 0.109 19774 5134 1 18 . 1 1 76 76 ILE N N 76 123.138 123.138 121.493 1.645 19774 5135 1 18 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.063 0.029 19774 5136 1 18 . 1 1 76 76 ILE C C 76 176.311 176.311 176.264 0.047 19774 5137 1 18 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.273 1.315 19774 5138 1 18 . 1 1 76 76 ILE CB C 76 38.569 38.569 36.035 2.534 19774 5139 1 18 . 1 1 76 76 ILE H H 76 8.315 8.315 8.321 -0.006 19774 5140 1 18 . 1 1 77 77 ALA N N 77 127.035 127.035 130.866 -3.831 19774 5141 1 18 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.391 -0.133 19774 5142 1 18 . 1 1 77 77 ALA C C 77 177.642 177.642 177.478 0.164 19774 5143 1 18 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.612 1.223 19774 5144 1 18 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.718 -0.618 19774 5145 1 18 . 1 1 77 77 ALA H H 77 8.446 8.446 8.111 0.335 19774 5146 1 18 . 1 1 78 78 GLN N N 78 119.150 119.150 120.132 -0.982 19774 5147 1 18 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.324 -0.011 19774 5148 1 18 . 1 1 78 78 GLN C C 78 176.025 176.025 175.239 0.786 19774 5149 1 18 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.533 0.188 19774 5150 1 18 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.369 0.162 19774 5151 1 18 . 1 1 78 78 GLN H H 78 8.323 8.323 8.298 0.025 19774 5152 1 18 . 1 1 79 79 MET N N 79 122.456 122.456 122.493 -0.037 19774 5153 1 18 . 1 1 79 79 MET HA H 79 4.619 4.619 4.772 -0.153 19774 5154 1 18 . 1 1 79 79 MET C C 79 177.080 177.080 177.259 -0.179 19774 5155 1 18 . 1 1 79 79 MET CA C 79 56.021 56.021 53.855 2.166 19774 5156 1 18 . 1 1 79 79 MET CB C 79 34.723 34.723 32.992 1.731 19774 5157 1 18 . 1 1 79 79 MET H H 79 8.410 8.410 8.395 0.015 19774 5158 1 18 . 1 1 80 80 THR N N 80 115.145 115.145 115.954 -0.809 19774 5159 1 18 . 1 1 80 80 THR HA H 80 4.390 4.390 4.512 -0.122 19774 5160 1 18 . 1 1 80 80 THR C C 80 175.463 175.463 175.387 0.076 19774 5161 1 18 . 1 1 80 80 THR CA C 80 61.546 61.546 61.136 0.409 19774 5162 1 18 . 1 1 80 80 THR CB C 80 70.845 70.845 70.335 0.510 19774 5163 1 18 . 1 1 80 80 THR H H 80 8.915 8.915 9.443 -0.528 19774 5164 1 18 . 1 1 81 81 GLU N N 81 122.254 122.254 121.828 0.426 19774 5165 1 18 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.266 -0.259 19774 5166 1 18 . 1 1 81 81 GLU C C 81 178.734 178.734 179.217 -0.483 19774 5167 1 18 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.893 -0.095 19774 5168 1 18 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.494 -0.100 19774 5169 1 18 . 1 1 81 81 GLU H H 81 9.076 9.076 8.920 0.156 19774 5170 1 18 . 1 1 82 82 GLU N N 82 119.436 119.436 118.973 0.463 19774 5171 1 18 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.137 -0.014 19774 5172 1 18 . 1 1 82 82 GLU C C 82 179.545 179.545 179.028 0.517 19774 5173 1 18 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.589 0.236 19774 5174 1 18 . 1 1 82 82 GLU CB C 82 29.268 29.268 28.919 0.349 19774 5175 1 18 . 1 1 82 82 GLU H H 82 8.839 8.839 8.766 0.073 19774 5176 1 18 . 1 1 83 83 GLU N N 83 121.597 121.597 119.770 1.827 19774 5177 1 18 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.020 0.082 19774 5178 1 18 . 1 1 83 83 GLU C C 83 179.440 179.440 179.239 0.201 19774 5179 1 18 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.339 -0.436 19774 5180 1 18 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.462 0.565 19774 5181 1 18 . 1 1 83 83 GLU H H 83 8.029 8.029 7.679 0.350 19774 5182 1 18 . 1 1 84 84 GLN N N 84 120.565 120.565 119.112 1.453 19774 5183 1 18 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.055 -0.026 19774 5184 1 18 . 1 1 84 84 GLN C C 84 178.689 178.689 178.525 0.164 19774 5185 1 18 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.721 0.298 19774 5186 1 18 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.713 -0.100 19774 5187 1 18 . 1 1 84 84 GLN H H 84 8.575 8.575 7.830 0.745 19774 5188 1 18 . 1 1 85 85 PHE N N 85 121.525 121.525 120.592 0.933 19774 5189 1 18 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.084 0.145 19774 5190 1 18 . 1 1 85 85 PHE C C 85 177.713 177.713 176.654 1.059 19774 5191 1 18 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.069 -0.746 19774 5192 1 18 . 1 1 85 85 PHE CB C 85 38.720 38.720 39.020 -0.300 19774 5193 1 18 . 1 1 85 85 PHE H H 85 8.483 8.483 8.100 0.383 19774 5194 1 18 . 1 1 86 86 ALA N N 86 121.849 121.849 122.345 -0.496 19774 5195 1 18 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.915 0.229 19774 5196 1 18 . 1 1 86 86 ALA C C 86 180.283 180.283 179.546 0.737 19774 5197 1 18 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.081 -0.386 19774 5198 1 18 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.104 0.108 19774 5199 1 18 . 1 1 86 86 ALA H H 86 8.072 8.072 8.066 0.006 19774 5200 1 18 . 1 1 87 87 LEU N N 87 120.459 120.459 118.986 1.473 19774 5201 1 18 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.860 0.358 19774 5202 1 18 . 1 1 87 87 LEU C C 87 178.387 178.387 178.919 -0.532 19774 5203 1 18 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.587 -0.331 19774 5204 1 18 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.510 0.365 19774 5205 1 18 . 1 1 87 87 LEU H H 87 8.010 8.010 8.052 -0.042 19774 5206 1 18 . 1 1 88 88 ALA N N 88 122.123 122.123 122.161 -0.038 19774 5207 1 18 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.958 0.176 19774 5208 1 18 . 1 1 88 88 ALA C C 88 180.241 180.241 179.443 0.798 19774 5209 1 18 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.773 -0.281 19774 5210 1 18 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.220 -0.360 19774 5211 1 18 . 1 1 88 88 ALA H H 88 7.981 7.981 7.627 0.354 19774 5212 1 18 . 1 1 89 89 LEU N N 89 119.923 119.923 118.833 1.090 19774 5213 1 18 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.848 0.286 19774 5214 1 18 . 1 1 89 89 LEU C C 89 178.981 178.981 178.713 0.268 19774 5215 1 18 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.779 -0.774 19774 5216 1 18 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.322 0.623 19774 5217 1 18 . 1 1 89 89 LEU H H 89 7.897 7.897 7.420 0.477 19774 5218 1 18 . 1 1 90 90 LYS N N 90 120.679 120.679 120.456 0.223 19774 5219 1 18 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.988 0.188 19774 5220 1 18 . 1 1 90 90 LYS C C 90 178.799 178.799 178.944 -0.145 19774 5221 1 18 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.408 -1.209 19774 5222 1 18 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.371 0.072 19774 5223 1 18 . 1 1 90 90 LYS H H 90 7.913 7.913 7.873 0.040 19774 5224 1 18 . 1 1 91 91 MET N N 91 118.958 118.958 118.714 0.244 19774 5225 1 18 . 1 1 91 91 MET HA H 91 4.366 4.366 4.408 -0.042 19774 5226 1 18 . 1 1 91 91 MET C C 91 177.925 177.925 178.513 -0.588 19774 5227 1 18 . 1 1 91 91 MET CA C 91 57.121 57.121 59.101 -1.980 19774 5228 1 18 . 1 1 91 91 MET CB C 91 32.242 32.242 32.741 -0.499 19774 5229 1 18 . 1 1 91 91 MET H H 91 8.392 8.392 8.264 0.128 19774 5230 1 18 . 1 1 92 92 SER N N 92 116.458 116.458 116.056 0.402 19774 5231 1 18 . 1 1 92 92 SER HA H 92 4.376 4.376 4.250 0.126 19774 5232 1 18 . 1 1 92 92 SER C C 92 175.910 175.910 176.721 -0.811 19774 5233 1 18 . 1 1 92 92 SER CA C 92 60.139 60.139 61.133 -0.994 19774 5234 1 18 . 1 1 92 92 SER CB C 92 63.292 63.292 62.876 0.416 19774 5235 1 18 . 1 1 92 92 SER H H 92 8.268 8.268 7.770 0.498 19774 5236 1 18 . 1 1 93 93 GLU N N 93 122.379 122.379 121.551 0.828 19774 5237 1 18 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.969 0.239 19774 5238 1 18 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.407 -1.414 19774 5239 1 18 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.480 0.306 19774 5240 1 18 . 1 1 93 93 GLU H H 93 8.255 8.255 7.815 0.440 19774 5241 1 18 . 1 1 94 94 GLN C C 94 177.043 177.043 178.724 -1.681 19774 5242 1 18 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.877 -1.768 19774 5243 1 18 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.693 0.278 19774 5244 1 18 . 1 1 95 95 GLU N N 95 121.162 121.162 119.643 1.519 19774 5245 1 18 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.040 0.126 19774 5246 1 18 . 1 1 95 95 GLU C C 95 177.150 177.150 178.731 -1.581 19774 5247 1 18 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.907 -1.328 19774 5248 1 18 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.403 0.579 19774 5249 1 18 . 1 1 95 95 GLU H H 95 8.294 8.294 7.850 0.444 19774 5250 1 18 . 1 1 96 96 ALA N N 96 123.599 123.599 121.584 2.015 19774 5251 1 18 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.145 0.168 19774 5252 1 18 . 1 1 96 96 ALA C C 96 178.276 178.276 179.861 -1.585 19774 5253 1 18 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.624 -1.442 19774 5254 1 18 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.675 0.010 19774 5255 1 18 . 1 1 96 96 ALA H H 96 8.209 8.209 7.694 0.515 19774 5256 1 18 . 1 1 97 97 ARG N N 97 119.759 119.759 116.339 3.420 19774 5257 1 18 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.112 0.180 19774 5258 1 18 . 1 1 97 97 ARG C C 97 176.904 176.904 177.651 -0.747 19774 5259 1 18 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.764 -1.062 19774 5260 1 18 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.690 1.180 19774 5261 1 18 . 1 1 97 97 ARG H H 97 8.123 8.123 7.831 0.292 19774 5262 1 18 . 1 1 98 98 GLU N N 98 121.995 121.995 116.779 5.216 19774 5263 1 18 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.262 -0.002 19774 5264 1 18 . 1 1 98 98 GLU C C 98 176.939 176.939 176.897 0.042 19774 5265 1 18 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.368 0.582 19774 5266 1 18 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.663 0.388 19774 5267 1 18 . 1 1 98 98 GLU H H 98 8.382 8.382 7.614 0.768 19774 5268 1 18 . 1 1 99 99 VAL N N 99 121.412 121.412 120.755 0.657 19774 5269 1 18 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.951 0.120 19774 5270 1 18 . 1 1 99 99 VAL C C 99 176.276 176.276 175.466 0.810 19774 5271 1 18 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.725 0.211 19774 5272 1 18 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.336 0.414 19774 5273 1 18 . 1 1 99 99 VAL H H 99 8.269 8.269 7.315 0.954 19774 5274 1 18 . 1 1 100 100 ASN N N 100 122.455 122.455 125.354 -2.899 19774 5275 1 18 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.717 0.102 19774 5276 1 18 . 1 1 100 100 ASN C C 100 175.671 175.671 176.075 -0.404 19774 5277 1 18 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.171 0.254 19774 5278 1 18 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.078 -0.038 19774 5279 1 18 . 1 1 100 100 ASN H H 100 8.642 8.642 8.637 0.005 19774 5280 1 18 . 1 1 101 101 SER N N 101 117.265 117.265 123.162 -5.897 19774 5281 1 18 . 1 1 101 101 SER HA H 101 4.408 4.408 4.320 0.088 19774 5282 1 18 . 1 1 101 101 SER C C 101 175.147 175.147 176.232 -1.085 19774 5283 1 18 . 1 1 101 101 SER CA C 101 59.187 59.187 60.770 -1.583 19774 5284 1 18 . 1 1 101 101 SER CB C 101 63.672 63.672 62.996 0.676 19774 5285 1 18 . 1 1 101 101 SER H H 101 8.548 8.548 8.915 -0.367 19774 5286 1 18 . 1 1 102 102 GLN N N 102 122.686 122.686 121.307 1.379 19774 5287 1 18 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.064 0.228 19774 5288 1 18 . 1 1 102 102 GLN C C 102 177.127 177.127 178.225 -1.098 19774 5289 1 18 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.316 -1.931 19774 5290 1 18 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.361 0.439 19774 5291 1 18 . 1 1 102 102 GLN H H 102 8.596 8.596 8.467 0.129 19774 5292 1 18 . 1 1 103 103 GLU N N 103 121.071 121.071 120.529 0.542 19774 5293 1 18 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.204 -0.028 19774 5294 1 18 . 1 1 103 103 GLU C C 103 178.080 178.080 178.501 -0.421 19774 5295 1 18 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.186 -0.885 19774 5296 1 18 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.272 0.429 19774 5297 1 18 . 1 1 103 103 GLU H H 103 8.502 8.502 9.210 -0.708 19774 5298 1 18 . 1 1 104 104 GLU N N 104 121.073 121.073 119.379 1.694 19774 5299 1 18 . 1 1 104 104 GLU C C 104 178.186 178.186 178.816 -0.630 19774 5300 1 18 . 1 1 104 104 GLU H H 104 8.389 8.389 7.827 0.562 19774 5301 1 18 . 1 1 105 105 GLU N N 105 121.561 121.561 118.798 2.763 19774 5302 1 18 . 1 1 105 105 GLU C C 105 178.380 178.380 179.230 -0.850 19774 5303 1 18 . 1 1 105 105 GLU H H 105 8.454 8.454 7.906 0.548 19774 5304 1 18 . 1 1 106 106 GLU N N 106 120.852 120.852 119.809 1.043 19774 5305 1 18 . 1 1 106 106 GLU C C 106 178.758 178.758 179.265 -0.507 19774 5306 1 18 . 1 1 106 106 GLU H H 106 8.473 8.473 8.533 -0.060 19774 5307 1 18 . 1 1 107 107 GLU N N 107 120.445 120.445 118.626 1.819 19774 5308 1 18 . 1 1 107 107 GLU C C 107 178.661 178.661 179.148 -0.487 19774 5309 1 18 . 1 1 107 107 GLU H H 107 8.396 8.396 7.888 0.508 19774 5310 1 18 . 1 1 108 108 GLU N N 108 121.089 121.089 119.559 1.530 19774 5311 1 18 . 1 1 108 108 GLU C C 108 178.454 178.454 179.312 -0.858 19774 5312 1 18 . 1 1 108 108 GLU H H 108 8.139 8.139 7.744 0.395 19774 5313 1 18 . 1 1 109 109 LEU N N 109 120.552 120.552 120.848 -0.296 19774 5314 1 18 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.077 0.036 19774 5315 1 18 . 1 1 109 109 LEU C C 109 180.104 180.104 179.132 0.972 19774 5316 1 18 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.945 -0.035 19774 5317 1 18 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.813 -0.122 19774 5318 1 18 . 1 1 109 109 LEU H H 109 8.097 8.097 8.192 -0.095 19774 5319 1 18 . 1 1 110 110 LEU N N 110 121.275 121.275 120.165 1.110 19774 5320 1 18 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.880 0.359 19774 5321 1 18 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.458 -0.963 19774 5322 1 18 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.737 -0.082 19774 5323 1 18 . 1 1 110 110 LEU H H 110 7.964 7.964 8.382 -0.418 19774 5324 1 18 . 1 1 112 112 LYS N N 112 120.602 120.602 119.262 1.340 19774 5325 1 18 . 1 1 112 112 LYS C C 112 177.904 177.904 178.771 -0.867 19774 5326 1 18 . 1 1 112 112 LYS H H 112 8.279 8.279 7.804 0.475 19774 5327 1 18 . 1 1 113 113 ALA N N 113 122.972 122.972 123.414 -0.442 19774 5328 1 18 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.278 0.004 19774 5329 1 18 . 1 1 113 113 ALA C C 113 180.557 180.557 179.868 0.689 19774 5330 1 18 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.988 -0.512 19774 5331 1 18 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.455 -0.189 19774 5332 1 18 . 1 1 113 113 ALA H H 113 7.992 7.992 8.017 -0.025 19774 5333 1 18 . 1 1 114 114 ILE N N 114 120.299 120.299 118.323 1.976 19774 5334 1 18 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.772 0.077 19774 5335 1 18 . 1 1 114 114 ILE C C 114 178.314 178.314 178.120 0.194 19774 5336 1 18 . 1 1 114 114 ILE CA C 114 63.783 63.783 62.609 1.174 19774 5337 1 18 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.502 1.829 19774 5338 1 18 . 1 1 114 114 ILE H H 114 8.231 8.231 7.687 0.544 19774 5339 1 18 . 1 1 115 115 ALA N N 115 124.227 124.227 122.602 1.625 19774 5340 1 18 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.958 0.250 19774 5341 1 18 . 1 1 115 115 ALA C C 115 179.824 179.824 179.803 0.021 19774 5342 1 18 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.515 -0.958 19774 5343 1 18 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.075 0.206 19774 5344 1 18 . 1 1 115 115 ALA H H 115 8.087 8.087 8.147 -0.060 19774 5345 1 18 . 1 1 116 116 GLU N N 116 118.344 118.344 118.599 -0.255 19774 5346 1 18 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.932 0.276 19774 5347 1 18 . 1 1 116 116 GLU C C 116 178.142 178.142 179.311 -1.169 19774 5348 1 18 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.395 -1.407 19774 5349 1 18 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.558 0.095 19774 5350 1 18 . 1 1 116 116 GLU H H 116 8.322 8.322 8.639 -0.317 19774 5351 1 18 . 1 1 117 117 SER N N 117 115.778 115.778 116.699 -0.921 19774 5352 1 18 . 1 1 117 117 SER HA H 117 4.380 4.380 4.182 0.198 19774 5353 1 18 . 1 1 117 117 SER C C 117 175.595 175.595 176.465 -0.870 19774 5354 1 18 . 1 1 117 117 SER CA C 117 59.926 59.926 62.386 -2.460 19774 5355 1 18 . 1 1 117 117 SER CB C 117 63.351 63.351 63.067 0.284 19774 5356 1 18 . 1 1 117 117 SER H H 117 8.050 8.050 7.783 0.267 19774 5357 1 18 . 1 1 118 118 LEU N N 118 122.792 122.792 121.174 1.618 19774 5358 1 18 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.031 0.251 19774 5359 1 18 . 1 1 118 118 LEU C C 118 177.998 177.998 179.444 -1.446 19774 5360 1 18 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.443 -1.302 19774 5361 1 18 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.638 0.436 19774 5362 1 18 . 1 1 118 118 LEU H H 118 7.984 7.984 7.968 0.016 19774 5363 1 18 . 1 1 119 119 ASN N N 119 118.030 118.030 117.228 0.802 19774 5364 1 18 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.531 0.172 19774 5365 1 18 . 1 1 119 119 ASN C C 119 175.640 175.640 176.373 -0.733 19774 5366 1 18 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.081 -1.320 19774 5367 1 18 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.481 0.342 19774 5368 1 18 . 1 1 119 119 ASN H H 119 8.199 8.199 8.398 -0.199 19774 5369 1 18 . 1 1 120 120 SER N N 120 115.677 115.677 113.160 2.517 19774 5370 1 18 . 1 1 120 120 SER HA H 120 4.473 4.473 4.500 -0.027 19774 5371 1 18 . 1 1 120 120 SER CA C 120 58.803 58.803 58.789 0.014 19774 5372 1 18 . 1 1 120 120 SER CB C 120 63.708 63.708 63.853 -0.145 19774 5373 1 18 . 1 1 120 120 SER H H 120 8.200 8.200 7.785 0.415 19774 5374 1 18 . 1 1 123 123 PRO C C 123 177.186 177.186 177.237 -0.051 19774 5375 1 18 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.692 0.666 19774 5376 1 18 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.109 0.054 19774 5377 1 18 . 1 1 124 124 SER N N 124 116.200 116.200 118.274 -2.074 19774 5378 1 18 . 1 1 124 124 SER HA H 124 4.990 4.990 4.389 0.601 19774 5379 1 18 . 1 1 124 124 SER C C 124 174.548 174.548 174.600 -0.052 19774 5380 1 18 . 1 1 124 124 SER CA C 124 58.600 58.600 58.118 0.482 19774 5381 1 18 . 1 1 124 124 SER CB C 124 63.727 63.727 63.841 -0.114 19774 5382 1 18 . 1 1 124 124 SER H H 124 8.596 8.596 8.330 0.266 19774 5383 1 18 . 1 1 125 125 ASP N N 125 122.649 122.649 120.998 1.651 19774 5384 1 18 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.597 0.011 19774 5385 1 18 . 1 1 125 125 ASP C C 125 176.378 176.378 177.758 -1.380 19774 5386 1 18 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.500 -0.253 19774 5387 1 18 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.472 -0.392 19774 5388 1 18 . 1 1 125 125 ASP H H 125 8.427 8.427 8.645 -0.218 19774 5389 1 18 . 1 1 126 126 ALA N N 126 124.975 124.975 124.413 0.562 19774 5390 1 18 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.112 0.191 19774 5391 1 18 . 1 1 126 126 ALA C C 126 178.138 178.138 178.236 -0.098 19774 5392 1 18 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.316 -1.249 19774 5393 1 18 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.843 0.076 19774 5394 1 18 . 1 1 126 126 ALA H H 126 8.401 8.401 8.598 -0.197 19774 5395 1 18 . 1 1 127 127 SER N N 127 114.892 114.892 114.203 0.689 19774 5396 1 18 . 1 1 127 127 SER HA H 127 4.380 4.380 4.338 0.042 19774 5397 1 18 . 1 1 127 127 SER C C 127 174.582 174.582 174.815 -0.233 19774 5398 1 18 . 1 1 127 127 SER CA C 127 58.826 58.826 58.639 0.187 19774 5399 1 18 . 1 1 127 127 SER CB C 127 63.662 63.662 63.484 0.177 19774 5400 1 18 . 1 1 127 127 SER H H 127 8.403 8.403 8.012 0.391 19774 5401 1 18 . 1 1 128 128 ALA N N 128 125.815 125.815 121.302 4.513 19774 5402 1 18 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.019 0.370 19774 5403 1 18 . 1 1 128 128 ALA C C 128 177.957 177.957 176.704 1.253 19774 5404 1 18 . 1 1 128 128 ALA CA C 128 52.712 52.712 52.851 -0.139 19774 5405 1 18 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.375 1.869 19774 5406 1 18 . 1 1 128 128 ALA H H 128 8.266 8.266 7.921 0.345 19774 5407 1 18 . 1 1 129 129 THR N N 129 113.766 113.766 110.191 3.575 19774 5408 1 18 . 1 1 129 129 THR HA H 129 4.310 4.310 4.380 -0.070 19774 5409 1 18 . 1 1 129 129 THR C C 129 174.414 174.414 174.186 0.228 19774 5410 1 18 . 1 1 129 129 THR CA C 129 62.010 62.010 60.882 1.128 19774 5411 1 18 . 1 1 129 129 THR CB C 129 69.748 69.748 69.970 -0.222 19774 5412 1 18 . 1 1 129 129 THR H H 129 8.200 8.200 7.714 0.486 19774 5413 1 18 . 1 1 130 130 ARG N N 130 124.611 124.611 124.146 0.465 19774 5414 1 18 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.431 0.019 19774 5415 1 18 . 1 1 130 130 ARG C C 130 175.443 175.443 176.084 -0.641 19774 5416 1 18 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.090 -0.111 19774 5417 1 18 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.062 -0.159 19774 5418 1 18 . 1 1 130 130 ARG H H 130 8.457 8.457 8.522 -0.065 19774 5419 1 19 . 1 1 -2 -2 LEU N N -2 122.796 122.796 119.482 3.314 19774 5420 1 19 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.459 -0.114 19774 5421 1 19 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.585 0.569 19774 5422 1 19 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 54.527 1.065 19774 5423 1 19 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 42.630 -0.402 19774 5424 1 19 . 1 1 -2 -2 LEU H H -2 8.704 8.704 7.564 1.140 19774 5425 1 19 . 1 1 -1 -1 GLY N N -1 110.002 110.002 109.856 0.146 19774 5426 1 19 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.932 -0.464 19774 5427 1 19 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.137 0.186 19774 5428 1 19 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.728 -0.180 19774 5429 1 19 . 1 1 75 75 LYS N N 75 123.250 123.250 120.401 2.849 19774 5430 1 19 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.310 -0.007 19774 5431 1 19 . 1 1 75 75 LYS C C 75 176.826 176.826 176.290 0.536 19774 5432 1 19 . 1 1 75 75 LYS CA C 75 56.381 56.381 55.807 0.574 19774 5433 1 19 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.794 0.080 19774 5434 1 19 . 1 1 75 75 LYS H H 75 8.447 8.447 8.255 0.192 19774 5435 1 19 . 1 1 76 76 ILE N N 76 123.138 123.138 122.269 0.869 19774 5436 1 19 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.033 0.059 19774 5437 1 19 . 1 1 76 76 ILE C C 76 176.311 176.311 176.526 -0.215 19774 5438 1 19 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.591 0.997 19774 5439 1 19 . 1 1 76 76 ILE CB C 76 38.569 38.569 36.317 2.252 19774 5440 1 19 . 1 1 76 76 ILE H H 76 8.315 8.315 8.183 0.132 19774 5441 1 19 . 1 1 77 77 ALA N N 77 127.035 127.035 131.020 -3.985 19774 5442 1 19 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.420 -0.162 19774 5443 1 19 . 1 1 77 77 ALA C C 77 177.642 177.642 177.368 0.274 19774 5444 1 19 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.563 1.272 19774 5445 1 19 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.784 -0.684 19774 5446 1 19 . 1 1 77 77 ALA H H 77 8.446 8.446 8.083 0.363 19774 5447 1 19 . 1 1 78 78 GLN N N 78 119.150 119.150 119.894 -0.744 19774 5448 1 19 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.311 0.002 19774 5449 1 19 . 1 1 78 78 GLN C C 78 176.025 176.025 175.328 0.697 19774 5450 1 19 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.665 0.056 19774 5451 1 19 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.242 0.289 19774 5452 1 19 . 1 1 78 78 GLN H H 78 8.323 8.323 8.276 0.047 19774 5453 1 19 . 1 1 79 79 MET N N 79 122.456 122.456 122.283 0.173 19774 5454 1 19 . 1 1 79 79 MET HA H 79 4.619 4.619 4.850 -0.231 19774 5455 1 19 . 1 1 79 79 MET C C 79 177.080 177.080 176.772 0.308 19774 5456 1 19 . 1 1 79 79 MET CA C 79 56.021 56.021 54.326 1.695 19774 5457 1 19 . 1 1 79 79 MET CB C 79 34.723 34.723 32.771 1.952 19774 5458 1 19 . 1 1 79 79 MET H H 79 8.410 8.410 8.349 0.061 19774 5459 1 19 . 1 1 80 80 THR N N 80 115.145 115.145 115.547 -0.402 19774 5460 1 19 . 1 1 80 80 THR HA H 80 4.390 4.390 4.459 -0.069 19774 5461 1 19 . 1 1 80 80 THR C C 80 175.463 175.463 175.603 -0.140 19774 5462 1 19 . 1 1 80 80 THR CA C 80 61.546 61.546 60.991 0.555 19774 5463 1 19 . 1 1 80 80 THR CB C 80 70.845 70.845 70.790 0.055 19774 5464 1 19 . 1 1 80 80 THR H H 80 8.915 8.915 8.527 0.388 19774 5465 1 19 . 1 1 81 81 GLU N N 81 122.254 122.254 122.093 0.161 19774 5466 1 19 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.247 -0.240 19774 5467 1 19 . 1 1 81 81 GLU C C 81 178.734 178.734 179.297 -0.563 19774 5468 1 19 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.063 -0.265 19774 5469 1 19 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.268 0.126 19774 5470 1 19 . 1 1 81 81 GLU H H 81 9.076 9.076 8.905 0.171 19774 5471 1 19 . 1 1 82 82 GLU N N 82 119.436 119.436 119.557 -0.121 19774 5472 1 19 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.179 -0.056 19774 5473 1 19 . 1 1 82 82 GLU C C 82 179.545 179.545 178.739 0.806 19774 5474 1 19 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.075 0.750 19774 5475 1 19 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.212 0.056 19774 5476 1 19 . 1 1 82 82 GLU H H 82 8.839 8.839 8.593 0.246 19774 5477 1 19 . 1 1 83 83 GLU N N 83 121.597 121.597 119.699 1.898 19774 5478 1 19 . 1 1 83 83 GLU HA H 83 4.102 4.102 3.992 0.110 19774 5479 1 19 . 1 1 83 83 GLU C C 83 179.440 179.440 179.031 0.409 19774 5480 1 19 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.418 -0.515 19774 5481 1 19 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.535 0.492 19774 5482 1 19 . 1 1 83 83 GLU H H 83 8.029 8.029 7.762 0.267 19774 5483 1 19 . 1 1 84 84 GLN N N 84 120.565 120.565 118.434 2.131 19774 5484 1 19 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.044 -0.015 19774 5485 1 19 . 1 1 84 84 GLN C C 84 178.689 178.689 178.625 0.064 19774 5486 1 19 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.632 0.387 19774 5487 1 19 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.748 -0.135 19774 5488 1 19 . 1 1 84 84 GLN H H 84 8.575 8.575 7.908 0.667 19774 5489 1 19 . 1 1 85 85 PHE N N 85 121.525 121.525 120.557 0.968 19774 5490 1 19 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.106 0.123 19774 5491 1 19 . 1 1 85 85 PHE C C 85 177.713 177.713 176.658 1.055 19774 5492 1 19 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.024 -0.701 19774 5493 1 19 . 1 1 85 85 PHE CB C 85 38.720 38.720 39.087 -0.367 19774 5494 1 19 . 1 1 85 85 PHE H H 85 8.483 8.483 7.973 0.510 19774 5495 1 19 . 1 1 86 86 ALA N N 86 121.849 121.849 122.897 -1.048 19774 5496 1 19 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.962 0.182 19774 5497 1 19 . 1 1 86 86 ALA C C 86 180.283 180.283 179.435 0.848 19774 5498 1 19 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.204 -0.509 19774 5499 1 19 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.297 -0.085 19774 5500 1 19 . 1 1 86 86 ALA H H 86 8.072 8.072 8.451 -0.379 19774 5501 1 19 . 1 1 87 87 LEU N N 87 120.459 120.459 118.968 1.491 19774 5502 1 19 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.870 0.348 19774 5503 1 19 . 1 1 87 87 LEU C C 87 178.387 178.387 178.924 -0.537 19774 5504 1 19 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.620 -0.363 19774 5505 1 19 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.543 0.332 19774 5506 1 19 . 1 1 87 87 LEU H H 87 8.010 8.010 7.846 0.164 19774 5507 1 19 . 1 1 88 88 ALA N N 88 122.123 122.123 122.222 -0.099 19774 5508 1 19 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.926 0.208 19774 5509 1 19 . 1 1 88 88 ALA C C 88 180.241 180.241 179.617 0.624 19774 5510 1 19 . 1 1 88 88 ALA CA C 88 54.492 54.492 55.008 -0.516 19774 5511 1 19 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.018 -0.160 19774 5512 1 19 . 1 1 88 88 ALA H H 88 7.981 7.981 7.459 0.522 19774 5513 1 19 . 1 1 89 89 LEU N N 89 119.923 119.923 118.813 1.110 19774 5514 1 19 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.889 0.245 19774 5515 1 19 . 1 1 89 89 LEU C C 89 178.981 178.981 178.858 0.123 19774 5516 1 19 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.633 -0.629 19774 5517 1 19 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.444 0.501 19774 5518 1 19 . 1 1 89 89 LEU H H 89 7.897 7.897 7.643 0.254 19774 5519 1 19 . 1 1 90 90 LYS N N 90 120.679 120.679 120.568 0.111 19774 5520 1 19 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.993 0.183 19774 5521 1 19 . 1 1 90 90 LYS C C 90 178.799 178.799 179.070 -0.271 19774 5522 1 19 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.175 -0.976 19774 5523 1 19 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.121 0.322 19774 5524 1 19 . 1 1 90 90 LYS H H 90 7.913 7.913 8.021 -0.108 19774 5525 1 19 . 1 1 91 91 MET N N 91 118.958 118.958 118.374 0.584 19774 5526 1 19 . 1 1 91 91 MET HA H 91 4.366 4.366 4.488 -0.122 19774 5527 1 19 . 1 1 91 91 MET C C 91 177.925 177.925 178.823 -0.898 19774 5528 1 19 . 1 1 91 91 MET CA C 91 57.121 57.121 57.358 -0.238 19774 5529 1 19 . 1 1 91 91 MET CB C 91 32.242 32.242 31.909 0.333 19774 5530 1 19 . 1 1 91 91 MET H H 91 8.392 8.392 7.969 0.423 19774 5531 1 19 . 1 1 92 92 SER N N 92 116.458 116.458 115.598 0.860 19774 5532 1 19 . 1 1 92 92 SER HA H 92 4.376 4.376 4.129 0.247 19774 5533 1 19 . 1 1 92 92 SER C C 92 175.910 175.910 176.793 -0.883 19774 5534 1 19 . 1 1 92 92 SER CA C 92 60.139 60.139 61.840 -1.701 19774 5535 1 19 . 1 1 92 92 SER CB C 92 63.292 63.292 62.896 0.396 19774 5536 1 19 . 1 1 92 92 SER H H 92 8.268 8.268 7.867 0.401 19774 5537 1 19 . 1 1 93 93 GLU N N 93 122.379 122.379 122.101 0.278 19774 5538 1 19 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.978 0.230 19774 5539 1 19 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.280 -1.287 19774 5540 1 19 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.356 0.430 19774 5541 1 19 . 1 1 93 93 GLU H H 93 8.255 8.255 8.215 0.040 19774 5542 1 19 . 1 1 94 94 GLN C C 94 177.043 177.043 179.135 -2.092 19774 5543 1 19 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.668 -1.559 19774 5544 1 19 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.757 0.214 19774 5545 1 19 . 1 1 95 95 GLU N N 95 121.162 121.162 119.239 1.923 19774 5546 1 19 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.087 0.079 19774 5547 1 19 . 1 1 95 95 GLU C C 95 177.150 177.150 178.396 -1.246 19774 5548 1 19 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.525 -0.946 19774 5549 1 19 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.052 0.930 19774 5550 1 19 . 1 1 95 95 GLU H H 95 8.294 8.294 7.849 0.445 19774 5551 1 19 . 1 1 96 96 ALA N N 96 123.599 123.599 121.296 2.303 19774 5552 1 19 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.087 0.226 19774 5553 1 19 . 1 1 96 96 ALA C C 96 178.276 178.276 178.292 -0.016 19774 5554 1 19 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.300 -1.118 19774 5555 1 19 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.590 0.095 19774 5556 1 19 . 1 1 96 96 ALA H H 96 8.209 8.209 7.582 0.627 19774 5557 1 19 . 1 1 97 97 ARG N N 97 119.759 119.759 115.761 3.998 19774 5558 1 19 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.152 0.140 19774 5559 1 19 . 1 1 97 97 ARG C C 97 176.904 176.904 177.685 -0.781 19774 5560 1 19 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.679 -0.977 19774 5561 1 19 . 1 1 97 97 ARG CB C 97 30.870 30.870 30.049 0.821 19774 5562 1 19 . 1 1 97 97 ARG H H 97 8.123 8.123 7.471 0.652 19774 5563 1 19 . 1 1 98 98 GLU N N 98 121.995 121.995 117.219 4.776 19774 5564 1 19 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.260 -0.000 19774 5565 1 19 . 1 1 98 98 GLU C C 98 176.939 176.939 176.106 0.833 19774 5566 1 19 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.606 0.344 19774 5567 1 19 . 1 1 98 98 GLU CB C 98 30.051 30.051 30.238 -0.187 19774 5568 1 19 . 1 1 98 98 GLU H H 98 8.382 8.382 7.667 0.715 19774 5569 1 19 . 1 1 99 99 VAL N N 99 121.412 121.412 119.273 2.139 19774 5570 1 19 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.967 0.104 19774 5571 1 19 . 1 1 99 99 VAL C C 99 176.276 176.276 176.024 0.252 19774 5572 1 19 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.220 0.716 19774 5573 1 19 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.540 0.210 19774 5574 1 19 . 1 1 99 99 VAL H H 99 8.269 8.269 7.003 1.266 19774 5575 1 19 . 1 1 100 100 ASN N N 100 122.455 122.455 125.245 -2.790 19774 5576 1 19 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.534 0.285 19774 5577 1 19 . 1 1 100 100 ASN C C 100 175.671 175.671 176.677 -1.006 19774 5578 1 19 . 1 1 100 100 ASN CA C 100 53.425 53.425 54.526 -1.101 19774 5579 1 19 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.032 0.008 19774 5580 1 19 . 1 1 100 100 ASN H H 100 8.642 8.642 8.314 0.328 19774 5581 1 19 . 1 1 101 101 SER N N 101 117.265 117.265 117.510 -0.245 19774 5582 1 19 . 1 1 101 101 SER HA H 101 4.408 4.408 4.029 0.379 19774 5583 1 19 . 1 1 101 101 SER C C 101 175.147 175.147 176.524 -1.377 19774 5584 1 19 . 1 1 101 101 SER CA C 101 59.187 59.187 61.884 -2.697 19774 5585 1 19 . 1 1 101 101 SER CB C 101 63.672 63.672 63.301 0.371 19774 5586 1 19 . 1 1 101 101 SER H H 101 8.548 8.548 8.743 -0.195 19774 5587 1 19 . 1 1 102 102 GLN N N 102 122.686 122.686 120.599 2.087 19774 5588 1 19 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.134 0.158 19774 5589 1 19 . 1 1 102 102 GLN C C 102 177.127 177.127 177.937 -0.810 19774 5590 1 19 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.007 -1.622 19774 5591 1 19 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.495 0.305 19774 5592 1 19 . 1 1 102 102 GLN H H 102 8.596 8.596 8.662 -0.066 19774 5593 1 19 . 1 1 103 103 GLU N N 103 121.071 121.071 119.473 1.598 19774 5594 1 19 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.048 0.128 19774 5595 1 19 . 1 1 103 103 GLU C C 103 178.080 178.080 178.920 -0.840 19774 5596 1 19 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.466 -1.165 19774 5597 1 19 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.316 0.385 19774 5598 1 19 . 1 1 103 103 GLU H H 103 8.502 8.502 8.591 -0.089 19774 5599 1 19 . 1 1 104 104 GLU N N 104 121.073 121.073 120.964 0.109 19774 5600 1 19 . 1 1 104 104 GLU C C 104 178.186 178.186 178.745 -0.559 19774 5601 1 19 . 1 1 104 104 GLU H H 104 8.389 8.389 8.706 -0.317 19774 5602 1 19 . 1 1 105 105 GLU N N 105 121.561 121.561 119.639 1.922 19774 5603 1 19 . 1 1 105 105 GLU C C 105 178.380 178.380 178.616 -0.236 19774 5604 1 19 . 1 1 105 105 GLU H H 105 8.454 8.454 8.035 0.419 19774 5605 1 19 . 1 1 106 106 GLU N N 106 120.852 120.852 119.490 1.362 19774 5606 1 19 . 1 1 106 106 GLU C C 106 178.758 178.758 179.015 -0.257 19774 5607 1 19 . 1 1 106 106 GLU H H 106 8.473 8.473 7.757 0.716 19774 5608 1 19 . 1 1 107 107 GLU N N 107 120.445 120.445 119.029 1.416 19774 5609 1 19 . 1 1 107 107 GLU C C 107 178.661 178.661 178.941 -0.280 19774 5610 1 19 . 1 1 107 107 GLU H H 107 8.396 8.396 8.201 0.195 19774 5611 1 19 . 1 1 108 108 GLU N N 108 121.089 121.089 120.791 0.298 19774 5612 1 19 . 1 1 108 108 GLU C C 108 178.454 178.454 178.903 -0.449 19774 5613 1 19 . 1 1 108 108 GLU H H 108 8.139 8.139 8.130 0.009 19774 5614 1 19 . 1 1 109 109 LEU N N 109 120.552 120.552 119.589 0.963 19774 5615 1 19 . 1 1 109 109 LEU HA H 109 4.113 4.113 3.969 0.144 19774 5616 1 19 . 1 1 109 109 LEU C C 109 180.104 180.104 179.153 0.951 19774 5617 1 19 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.994 -0.084 19774 5618 1 19 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.811 -0.120 19774 5619 1 19 . 1 1 109 109 LEU H H 109 8.097 8.097 7.917 0.180 19774 5620 1 19 . 1 1 110 110 LEU N N 110 121.275 121.275 119.327 1.948 19774 5621 1 19 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.995 0.244 19774 5622 1 19 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.175 -0.680 19774 5623 1 19 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.417 0.239 19774 5624 1 19 . 1 1 110 110 LEU H H 110 7.964 7.964 7.633 0.331 19774 5625 1 19 . 1 1 112 112 LYS N N 112 120.602 120.602 119.544 1.058 19774 5626 1 19 . 1 1 112 112 LYS C C 112 177.904 177.904 178.551 -0.647 19774 5627 1 19 . 1 1 112 112 LYS H H 112 8.279 8.279 8.032 0.247 19774 5628 1 19 . 1 1 113 113 ALA N N 113 122.972 122.972 122.480 0.492 19774 5629 1 19 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.081 0.201 19774 5630 1 19 . 1 1 113 113 ALA C C 113 180.557 180.557 180.012 0.545 19774 5631 1 19 . 1 1 113 113 ALA CA C 113 54.476 54.476 55.181 -0.705 19774 5632 1 19 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.111 0.155 19774 5633 1 19 . 1 1 113 113 ALA H H 113 7.992 7.992 7.667 0.325 19774 5634 1 19 . 1 1 114 114 ILE N N 114 120.299 120.299 119.255 1.044 19774 5635 1 19 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.879 -0.030 19774 5636 1 19 . 1 1 114 114 ILE C C 114 178.314 178.314 178.379 -0.065 19774 5637 1 19 . 1 1 114 114 ILE CA C 114 63.783 63.783 62.627 1.155 19774 5638 1 19 . 1 1 114 114 ILE CB C 114 38.331 38.331 36.390 1.941 19774 5639 1 19 . 1 1 114 114 ILE H H 114 8.231 8.231 7.725 0.506 19774 5640 1 19 . 1 1 115 115 ALA N N 115 124.227 124.227 122.496 1.731 19774 5641 1 19 . 1 1 115 115 ALA HA H 115 4.208 4.208 4.000 0.208 19774 5642 1 19 . 1 1 115 115 ALA C C 115 179.824 179.824 179.927 -0.103 19774 5643 1 19 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.588 -1.031 19774 5644 1 19 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.198 0.083 19774 5645 1 19 . 1 1 115 115 ALA H H 115 8.087 8.087 7.960 0.127 19774 5646 1 19 . 1 1 116 116 GLU N N 116 118.344 118.344 118.376 -0.032 19774 5647 1 19 . 1 1 116 116 GLU HA H 116 4.208 4.208 4.027 0.181 19774 5648 1 19 . 1 1 116 116 GLU C C 116 178.142 178.142 179.275 -1.133 19774 5649 1 19 . 1 1 116 116 GLU CA C 116 57.988 57.988 58.978 -0.990 19774 5650 1 19 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.315 0.338 19774 5651 1 19 . 1 1 116 116 GLU H H 116 8.322 8.322 8.586 -0.264 19774 5652 1 19 . 1 1 117 117 SER N N 117 115.778 115.778 115.793 -0.015 19774 5653 1 19 . 1 1 117 117 SER HA H 117 4.380 4.380 4.178 0.202 19774 5654 1 19 . 1 1 117 117 SER C C 117 175.595 175.595 176.333 -0.738 19774 5655 1 19 . 1 1 117 117 SER CA C 117 59.926 59.926 61.767 -1.841 19774 5656 1 19 . 1 1 117 117 SER CB C 117 63.351 63.351 62.977 0.374 19774 5657 1 19 . 1 1 117 117 SER H H 117 8.050 8.050 8.144 -0.094 19774 5658 1 19 . 1 1 118 118 LEU N N 118 122.792 122.792 120.366 2.426 19774 5659 1 19 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.011 0.271 19774 5660 1 19 . 1 1 118 118 LEU C C 118 177.998 177.998 178.215 -0.217 19774 5661 1 19 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.239 -1.098 19774 5662 1 19 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.820 0.254 19774 5663 1 19 . 1 1 118 118 LEU H H 118 7.984 7.984 7.791 0.193 19774 5664 1 19 . 1 1 119 119 ASN N N 119 118.030 118.030 115.199 2.831 19774 5665 1 19 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.524 0.179 19774 5666 1 19 . 1 1 119 119 ASN C C 119 175.640 175.640 176.616 -0.976 19774 5667 1 19 . 1 1 119 119 ASN CA C 119 53.761 53.761 54.837 -1.076 19774 5668 1 19 . 1 1 119 119 ASN CB C 119 38.823 38.823 39.341 -0.518 19774 5669 1 19 . 1 1 119 119 ASN H H 119 8.199 8.199 7.881 0.318 19774 5670 1 19 . 1 1 120 120 SER N N 120 115.677 115.677 115.266 0.411 19774 5671 1 19 . 1 1 120 120 SER HA H 120 4.473 4.473 4.569 -0.096 19774 5672 1 19 . 1 1 120 120 SER CA C 120 58.803 58.803 58.110 0.693 19774 5673 1 19 . 1 1 120 120 SER CB C 120 63.708 63.708 63.733 -0.025 19774 5674 1 19 . 1 1 120 120 SER H H 120 8.200 8.200 8.295 -0.095 19774 5675 1 19 . 1 1 123 123 PRO C C 123 177.186 177.186 176.323 0.863 19774 5676 1 19 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.615 0.743 19774 5677 1 19 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.314 -0.151 19774 5678 1 19 . 1 1 124 124 SER N N 124 116.200 116.200 117.923 -1.723 19774 5679 1 19 . 1 1 124 124 SER HA H 124 4.990 4.990 4.331 0.659 19774 5680 1 19 . 1 1 124 124 SER C C 124 174.548 174.548 174.741 -0.193 19774 5681 1 19 . 1 1 124 124 SER CA C 124 58.600 58.600 58.666 -0.067 19774 5682 1 19 . 1 1 124 124 SER CB C 124 63.727 63.727 63.959 -0.232 19774 5683 1 19 . 1 1 124 124 SER H H 124 8.596 8.596 8.300 0.296 19774 5684 1 19 . 1 1 125 125 ASP N N 125 122.649 122.649 125.807 -3.158 19774 5685 1 19 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.710 -0.102 19774 5686 1 19 . 1 1 125 125 ASP C C 125 176.378 176.378 177.020 -0.642 19774 5687 1 19 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.382 -0.135 19774 5688 1 19 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.906 -0.826 19774 5689 1 19 . 1 1 125 125 ASP H H 125 8.427 8.427 8.571 -0.144 19774 5690 1 19 . 1 1 126 126 ALA N N 126 124.975 124.975 126.261 -1.286 19774 5691 1 19 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.088 0.215 19774 5692 1 19 . 1 1 126 126 ALA C C 126 178.138 178.138 178.258 -0.120 19774 5693 1 19 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.361 -1.294 19774 5694 1 19 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.776 0.143 19774 5695 1 19 . 1 1 126 126 ALA H H 126 8.401 8.401 8.570 -0.169 19774 5696 1 19 . 1 1 127 127 SER N N 127 114.892 114.892 113.390 1.502 19774 5697 1 19 . 1 1 127 127 SER HA H 127 4.380 4.380 4.399 -0.019 19774 5698 1 19 . 1 1 127 127 SER C C 127 174.582 174.582 174.289 0.293 19774 5699 1 19 . 1 1 127 127 SER CA C 127 58.826 58.826 58.857 -0.031 19774 5700 1 19 . 1 1 127 127 SER CB C 127 63.662 63.662 63.466 0.196 19774 5701 1 19 . 1 1 127 127 SER H H 127 8.403 8.403 8.020 0.383 19774 5702 1 19 . 1 1 128 128 ALA N N 128 125.815 125.815 120.014 5.801 19774 5703 1 19 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.127 0.262 19774 5704 1 19 . 1 1 128 128 ALA C C 128 177.957 177.957 176.114 1.843 19774 5705 1 19 . 1 1 128 128 ALA CA C 128 52.712 52.712 52.487 0.225 19774 5706 1 19 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.023 2.221 19774 5707 1 19 . 1 1 128 128 ALA H H 128 8.266 8.266 7.297 0.969 19774 5708 1 19 . 1 1 129 129 THR N N 129 113.766 113.766 115.035 -1.269 19774 5709 1 19 . 1 1 129 129 THR HA H 129 4.310 4.310 4.281 0.029 19774 5710 1 19 . 1 1 129 129 THR C C 129 174.414 174.414 174.311 0.103 19774 5711 1 19 . 1 1 129 129 THR CA C 129 62.010 62.010 62.247 -0.237 19774 5712 1 19 . 1 1 129 129 THR CB C 129 69.748 69.748 69.264 0.484 19774 5713 1 19 . 1 1 129 129 THR H H 129 8.200 8.200 7.801 0.399 19774 5714 1 19 . 1 1 130 130 ARG N N 130 124.611 124.611 126.011 -1.400 19774 5715 1 19 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.464 -0.014 19774 5716 1 19 . 1 1 130 130 ARG C C 130 175.443 175.443 175.127 0.316 19774 5717 1 19 . 1 1 130 130 ARG CA C 130 55.979 55.979 56.498 -0.519 19774 5718 1 19 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.765 0.138 19774 5719 1 19 . 1 1 130 130 ARG H H 130 8.457 8.457 8.616 -0.159 19774 5720 1 20 . 1 1 -2 -2 LEU N N -2 122.796 122.796 120.300 2.496 19774 5721 1 20 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 3.810 0.535 19774 5722 1 20 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.594 0.560 19774 5723 1 20 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.680 -0.088 19774 5724 1 20 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 40.791 1.437 19774 5725 1 20 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.265 0.439 19774 5726 1 20 . 1 1 -1 -1 GLY N N -1 110.002 110.002 105.606 4.396 19774 5727 1 20 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.749 -0.281 19774 5728 1 20 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.078 0.245 19774 5729 1 20 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.412 0.136 19774 5730 1 20 . 1 1 75 75 LYS N N 75 123.250 123.250 122.042 1.208 19774 5731 1 20 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.338 -0.035 19774 5732 1 20 . 1 1 75 75 LYS C C 75 176.826 176.826 175.931 0.895 19774 5733 1 20 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.018 0.363 19774 5734 1 20 . 1 1 75 75 LYS CB C 75 32.874 32.874 32.958 -0.084 19774 5735 1 20 . 1 1 75 75 LYS H H 75 8.447 8.447 8.302 0.145 19774 5736 1 20 . 1 1 76 76 ILE N N 76 123.138 123.138 122.227 0.911 19774 5737 1 20 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.165 -0.073 19774 5738 1 20 . 1 1 76 76 ILE C C 76 176.311 176.311 176.044 0.267 19774 5739 1 20 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.687 0.901 19774 5740 1 20 . 1 1 76 76 ILE CB C 76 38.569 38.569 38.322 0.247 19774 5741 1 20 . 1 1 76 76 ILE H H 76 8.315 8.315 8.200 0.115 19774 5742 1 20 . 1 1 77 77 ALA N N 77 127.035 127.035 130.472 -3.437 19774 5743 1 20 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.417 -0.159 19774 5744 1 20 . 1 1 77 77 ALA C C 77 177.642 177.642 177.088 0.554 19774 5745 1 20 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.810 1.025 19774 5746 1 20 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.611 -0.511 19774 5747 1 20 . 1 1 77 77 ALA H H 77 8.446 8.446 8.258 0.188 19774 5748 1 20 . 1 1 78 78 GLN N N 78 119.150 119.150 120.660 -1.510 19774 5749 1 20 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.372 -0.059 19774 5750 1 20 . 1 1 78 78 GLN C C 78 176.025 176.025 175.694 0.331 19774 5751 1 20 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.424 0.297 19774 5752 1 20 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.794 -0.263 19774 5753 1 20 . 1 1 78 78 GLN H H 78 8.323 8.323 8.363 -0.040 19774 5754 1 20 . 1 1 79 79 MET N N 79 122.456 122.456 122.892 -0.436 19774 5755 1 20 . 1 1 79 79 MET HA H 79 4.619 4.619 4.533 0.086 19774 5756 1 20 . 1 1 79 79 MET C C 79 177.080 177.080 176.676 0.404 19774 5757 1 20 . 1 1 79 79 MET CA C 79 56.021 56.021 55.316 0.705 19774 5758 1 20 . 1 1 79 79 MET CB C 79 34.723 34.723 33.216 1.507 19774 5759 1 20 . 1 1 79 79 MET H H 79 8.410 8.410 8.398 0.012 19774 5760 1 20 . 1 1 80 80 THR N N 80 115.145 115.145 114.357 0.788 19774 5761 1 20 . 1 1 80 80 THR HA H 80 4.390 4.390 4.436 -0.046 19774 5762 1 20 . 1 1 80 80 THR C C 80 175.463 175.463 175.599 -0.136 19774 5763 1 20 . 1 1 80 80 THR CA C 80 61.546 61.546 61.190 0.356 19774 5764 1 20 . 1 1 80 80 THR CB C 80 70.845 70.845 70.336 0.509 19774 5765 1 20 . 1 1 80 80 THR H H 80 8.915 8.915 8.073 0.842 19774 5766 1 20 . 1 1 81 81 GLU N N 81 122.254 122.254 122.583 -0.329 19774 5767 1 20 . 1 1 81 81 GLU HA H 81 4.007 4.007 3.967 0.040 19774 5768 1 20 . 1 1 81 81 GLU C C 81 178.734 178.734 179.266 -0.532 19774 5769 1 20 . 1 1 81 81 GLU CA C 81 59.798 59.798 59.864 -0.066 19774 5770 1 20 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.532 -0.138 19774 5771 1 20 . 1 1 81 81 GLU H H 81 9.076 9.076 8.965 0.111 19774 5772 1 20 . 1 1 82 82 GLU N N 82 119.436 119.436 119.491 -0.055 19774 5773 1 20 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.157 -0.034 19774 5774 1 20 . 1 1 82 82 GLU C C 82 179.545 179.545 178.838 0.707 19774 5775 1 20 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.154 0.671 19774 5776 1 20 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.133 0.135 19774 5777 1 20 . 1 1 82 82 GLU H H 82 8.839 8.839 8.489 0.350 19774 5778 1 20 . 1 1 83 83 GLU N N 83 121.597 121.597 119.784 1.813 19774 5779 1 20 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.041 0.061 19774 5780 1 20 . 1 1 83 83 GLU C C 83 179.440 179.440 178.842 0.598 19774 5781 1 20 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.164 -0.261 19774 5782 1 20 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.455 0.572 19774 5783 1 20 . 1 1 83 83 GLU H H 83 8.029 8.029 7.806 0.223 19774 5784 1 20 . 1 1 84 84 GLN N N 84 120.565 120.565 119.815 0.750 19774 5785 1 20 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.054 -0.025 19774 5786 1 20 . 1 1 84 84 GLN C C 84 178.689 178.689 178.177 0.512 19774 5787 1 20 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.876 0.143 19774 5788 1 20 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.688 -0.075 19774 5789 1 20 . 1 1 84 84 GLN H H 84 8.575 8.575 8.192 0.383 19774 5790 1 20 . 1 1 85 85 PHE N N 85 121.525 121.525 120.389 1.136 19774 5791 1 20 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.103 0.126 19774 5792 1 20 . 1 1 85 85 PHE C C 85 177.713 177.713 176.815 0.898 19774 5793 1 20 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.087 -0.764 19774 5794 1 20 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.997 -0.277 19774 5795 1 20 . 1 1 85 85 PHE H H 85 8.483 8.483 8.274 0.209 19774 5796 1 20 . 1 1 86 86 ALA N N 86 121.849 121.849 122.111 -0.262 19774 5797 1 20 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.940 0.204 19774 5798 1 20 . 1 1 86 86 ALA C C 86 180.283 180.283 179.099 1.184 19774 5799 1 20 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.086 -0.391 19774 5800 1 20 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.399 -0.188 19774 5801 1 20 . 1 1 86 86 ALA H H 86 8.072 8.072 8.397 -0.325 19774 5802 1 20 . 1 1 87 87 LEU N N 87 120.459 120.459 120.131 0.328 19774 5803 1 20 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.939 0.279 19774 5804 1 20 . 1 1 87 87 LEU C C 87 178.387 178.387 178.386 0.001 19774 5805 1 20 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.657 -0.400 19774 5806 1 20 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.436 0.439 19774 5807 1 20 . 1 1 87 87 LEU H H 87 8.010 8.010 7.813 0.197 19774 5808 1 20 . 1 1 88 88 ALA N N 88 122.123 122.123 121.635 0.488 19774 5809 1 20 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.917 0.217 19774 5810 1 20 . 1 1 88 88 ALA C C 88 180.241 180.241 179.542 0.699 19774 5811 1 20 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.992 -0.500 19774 5812 1 20 . 1 1 88 88 ALA CB C 88 17.859 17.859 17.935 -0.076 19774 5813 1 20 . 1 1 88 88 ALA H H 88 7.981 7.981 7.518 0.463 19774 5814 1 20 . 1 1 89 89 LEU N N 89 119.923 119.923 118.697 1.226 19774 5815 1 20 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.799 0.335 19774 5816 1 20 . 1 1 89 89 LEU C C 89 178.981 178.981 179.008 -0.027 19774 5817 1 20 . 1 1 89 89 LEU CA C 89 57.004 57.004 58.003 -0.999 19774 5818 1 20 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.383 0.562 19774 5819 1 20 . 1 1 89 89 LEU H H 89 7.897 7.897 7.463 0.434 19774 5820 1 20 . 1 1 90 90 LYS N N 90 120.679 120.679 119.685 0.994 19774 5821 1 20 . 1 1 90 90 LYS HA H 90 4.176 4.176 3.899 0.277 19774 5822 1 20 . 1 1 90 90 LYS C C 90 178.799 178.799 179.153 -0.354 19774 5823 1 20 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.548 -1.349 19774 5824 1 20 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.158 0.285 19774 5825 1 20 . 1 1 90 90 LYS H H 90 7.913 7.913 7.515 0.398 19774 5826 1 20 . 1 1 91 91 MET N N 91 118.958 118.958 118.711 0.247 19774 5827 1 20 . 1 1 91 91 MET HA H 91 4.366 4.366 4.198 0.168 19774 5828 1 20 . 1 1 91 91 MET C C 91 177.925 177.925 178.524 -0.599 19774 5829 1 20 . 1 1 91 91 MET CA C 91 57.121 57.121 57.334 -0.213 19774 5830 1 20 . 1 1 91 91 MET CB C 91 32.242 32.242 31.999 0.243 19774 5831 1 20 . 1 1 91 91 MET H H 91 8.392 8.392 7.769 0.623 19774 5832 1 20 . 1 1 92 92 SER N N 92 116.458 116.458 116.165 0.293 19774 5833 1 20 . 1 1 92 92 SER HA H 92 4.376 4.376 4.068 0.308 19774 5834 1 20 . 1 1 92 92 SER C C 92 175.910 175.910 176.764 -0.854 19774 5835 1 20 . 1 1 92 92 SER CA C 92 60.139 60.139 61.469 -1.330 19774 5836 1 20 . 1 1 92 92 SER CB C 92 63.292 63.292 62.888 0.404 19774 5837 1 20 . 1 1 92 92 SER H H 92 8.268 8.268 7.984 0.284 19774 5838 1 20 . 1 1 93 93 GLU N N 93 122.379 122.379 122.605 -0.226 19774 5839 1 20 . 1 1 93 93 GLU HA H 93 4.208 4.208 3.988 0.220 19774 5840 1 20 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.178 -1.185 19774 5841 1 20 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.203 0.583 19774 5842 1 20 . 1 1 93 93 GLU H H 93 8.255 8.255 8.224 0.031 19774 5843 1 20 . 1 1 94 94 GLN C C 94 177.043 177.043 179.035 -1.992 19774 5844 1 20 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.667 -1.558 19774 5845 1 20 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.418 0.554 19774 5846 1 20 . 1 1 95 95 GLU N N 95 121.162 121.162 119.076 2.086 19774 5847 1 20 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.118 0.048 19774 5848 1 20 . 1 1 95 95 GLU C C 95 177.150 177.150 179.123 -1.973 19774 5849 1 20 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.512 -0.933 19774 5850 1 20 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.379 0.603 19774 5851 1 20 . 1 1 95 95 GLU H H 95 8.294 8.294 7.921 0.373 19774 5852 1 20 . 1 1 96 96 ALA N N 96 123.599 123.599 123.291 0.308 19774 5853 1 20 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.075 0.238 19774 5854 1 20 . 1 1 96 96 ALA C C 96 178.276 178.276 179.802 -1.526 19774 5855 1 20 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.784 -1.602 19774 5856 1 20 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.290 0.395 19774 5857 1 20 . 1 1 96 96 ALA H H 96 8.209 8.209 8.647 -0.438 19774 5858 1 20 . 1 1 97 97 ARG N N 97 119.759 119.759 115.849 3.910 19774 5859 1 20 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.106 0.186 19774 5860 1 20 . 1 1 97 97 ARG C C 97 176.904 176.904 177.469 -0.565 19774 5861 1 20 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.934 -1.232 19774 5862 1 20 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.835 1.035 19774 5863 1 20 . 1 1 97 97 ARG H H 97 8.123 8.123 7.636 0.487 19774 5864 1 20 . 1 1 98 98 GLU N N 98 121.995 121.995 116.536 5.459 19774 5865 1 20 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.216 0.044 19774 5866 1 20 . 1 1 98 98 GLU C C 98 176.939 176.939 176.582 0.357 19774 5867 1 20 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.616 0.334 19774 5868 1 20 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.975 0.076 19774 5869 1 20 . 1 1 98 98 GLU H H 98 8.382 8.382 7.585 0.797 19774 5870 1 20 . 1 1 99 99 VAL N N 99 121.412 121.412 120.435 0.977 19774 5871 1 20 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.997 0.074 19774 5872 1 20 . 1 1 99 99 VAL C C 99 176.276 176.276 175.684 0.592 19774 5873 1 20 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.146 0.790 19774 5874 1 20 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.497 0.253 19774 5875 1 20 . 1 1 99 99 VAL H H 99 8.269 8.269 7.445 0.824 19774 5876 1 20 . 1 1 100 100 ASN N N 100 122.455 122.455 123.754 -1.299 19774 5877 1 20 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.561 0.258 19774 5878 1 20 . 1 1 100 100 ASN C C 100 175.671 175.671 176.727 -1.056 19774 5879 1 20 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.930 -0.505 19774 5880 1 20 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.515 -0.475 19774 5881 1 20 . 1 1 100 100 ASN H H 100 8.642 8.642 8.480 0.162 19774 5882 1 20 . 1 1 101 101 SER N N 101 117.265 117.265 119.098 -1.833 19774 5883 1 20 . 1 1 101 101 SER HA H 101 4.408 4.408 4.145 0.263 19774 5884 1 20 . 1 1 101 101 SER C C 101 175.147 175.147 176.590 -1.443 19774 5885 1 20 . 1 1 101 101 SER CA C 101 59.187 59.187 61.859 -2.672 19774 5886 1 20 . 1 1 101 101 SER CB C 101 63.672 63.672 63.164 0.508 19774 5887 1 20 . 1 1 101 101 SER H H 101 8.548 8.548 8.765 -0.217 19774 5888 1 20 . 1 1 102 102 GLN N N 102 122.686 122.686 119.629 3.057 19774 5889 1 20 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.090 0.202 19774 5890 1 20 . 1 1 102 102 GLN C C 102 177.127 177.127 177.990 -0.863 19774 5891 1 20 . 1 1 102 102 GLN CA C 102 57.385 57.385 59.066 -1.681 19774 5892 1 20 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.588 0.212 19774 5893 1 20 . 1 1 102 102 GLN H H 102 8.596 8.596 7.954 0.642 19774 5894 1 20 . 1 1 103 103 GLU N N 103 121.071 121.071 120.497 0.574 19774 5895 1 20 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.078 0.098 19774 5896 1 20 . 1 1 103 103 GLU C C 103 178.080 178.080 178.712 -0.632 19774 5897 1 20 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.260 -0.959 19774 5898 1 20 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.031 0.670 19774 5899 1 20 . 1 1 103 103 GLU H H 103 8.502 8.502 8.570 -0.068 19774 5900 1 20 . 1 1 104 104 GLU N N 104 121.073 121.073 120.836 0.237 19774 5901 1 20 . 1 1 104 104 GLU C C 104 178.186 178.186 178.686 -0.500 19774 5902 1 20 . 1 1 104 104 GLU H H 104 8.389 8.389 8.734 -0.345 19774 5903 1 20 . 1 1 105 105 GLU N N 105 121.561 121.561 119.631 1.930 19774 5904 1 20 . 1 1 105 105 GLU C C 105 178.380 178.380 178.648 -0.268 19774 5905 1 20 . 1 1 105 105 GLU H H 105 8.454 8.454 8.043 0.411 19774 5906 1 20 . 1 1 106 106 GLU N N 106 120.852 120.852 119.338 1.514 19774 5907 1 20 . 1 1 106 106 GLU C C 106 178.758 178.758 178.618 0.140 19774 5908 1 20 . 1 1 106 106 GLU H H 106 8.473 8.473 7.710 0.763 19774 5909 1 20 . 1 1 107 107 GLU N N 107 120.445 120.445 119.999 0.446 19774 5910 1 20 . 1 1 107 107 GLU C C 107 178.661 178.661 178.996 -0.335 19774 5911 1 20 . 1 1 107 107 GLU H H 107 8.396 8.396 8.161 0.235 19774 5912 1 20 . 1 1 108 108 GLU N N 108 121.089 121.089 119.414 1.675 19774 5913 1 20 . 1 1 108 108 GLU C C 108 178.454 178.454 179.353 -0.899 19774 5914 1 20 . 1 1 108 108 GLU H H 108 8.139 8.139 8.238 -0.099 19774 5915 1 20 . 1 1 109 109 LEU N N 109 120.552 120.552 119.790 0.762 19774 5916 1 20 . 1 1 109 109 LEU HA H 109 4.113 4.113 3.977 0.136 19774 5917 1 20 . 1 1 109 109 LEU C C 109 180.104 180.104 179.362 0.742 19774 5918 1 20 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.933 -0.023 19774 5919 1 20 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.720 -0.029 19774 5920 1 20 . 1 1 109 109 LEU H H 109 8.097 8.097 7.785 0.312 19774 5921 1 20 . 1 1 110 110 LEU N N 110 121.275 121.275 118.621 2.654 19774 5922 1 20 . 1 1 110 110 LEU HA H 110 4.239 4.239 4.003 0.236 19774 5923 1 20 . 1 1 110 110 LEU CA C 110 57.495 57.495 57.638 -0.143 19774 5924 1 20 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.439 0.217 19774 5925 1 20 . 1 1 110 110 LEU H H 110 7.964 7.964 7.763 0.201 19774 5926 1 20 . 1 1 112 112 LYS N N 112 120.602 120.602 118.274 2.328 19774 5927 1 20 . 1 1 112 112 LYS C C 112 177.904 177.904 178.621 -0.717 19774 5928 1 20 . 1 1 112 112 LYS H H 112 8.279 8.279 8.142 0.137 19774 5929 1 20 . 1 1 113 113 ALA N N 113 122.972 122.972 123.074 -0.102 19774 5930 1 20 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.146 0.136 19774 5931 1 20 . 1 1 113 113 ALA C C 113 180.557 180.557 179.622 0.935 19774 5932 1 20 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.791 -0.315 19774 5933 1 20 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.384 -0.118 19774 5934 1 20 . 1 1 113 113 ALA H H 113 7.992 7.992 7.559 0.433 19774 5935 1 20 . 1 1 114 114 ILE N N 114 120.299 120.299 118.777 1.522 19774 5936 1 20 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.638 0.211 19774 5937 1 20 . 1 1 114 114 ILE C C 114 178.314 178.314 177.690 0.624 19774 5938 1 20 . 1 1 114 114 ILE CA C 114 63.783 63.783 65.229 -1.446 19774 5939 1 20 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.884 0.447 19774 5940 1 20 . 1 1 114 114 ILE H H 114 8.231 8.231 8.081 0.150 19774 5941 1 20 . 1 1 115 115 ALA N N 115 124.227 124.227 121.933 2.294 19774 5942 1 20 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.971 0.237 19774 5943 1 20 . 1 1 115 115 ALA C C 115 179.824 179.824 179.694 0.130 19774 5944 1 20 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.383 -0.826 19774 5945 1 20 . 1 1 115 115 ALA CB C 115 18.281 18.281 17.982 0.299 19774 5946 1 20 . 1 1 115 115 ALA H H 115 8.087 8.087 7.717 0.370 19774 5947 1 20 . 1 1 116 116 GLU N N 116 118.344 118.344 118.376 -0.032 19774 5948 1 20 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.939 0.269 19774 5949 1 20 . 1 1 116 116 GLU C C 116 178.142 178.142 179.279 -1.137 19774 5950 1 20 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.216 -1.228 19774 5951 1 20 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.517 0.136 19774 5952 1 20 . 1 1 116 116 GLU H H 116 8.322 8.322 8.156 0.166 19774 5953 1 20 . 1 1 117 117 SER N N 117 115.778 115.778 116.030 -0.252 19774 5954 1 20 . 1 1 117 117 SER HA H 117 4.380 4.380 4.205 0.175 19774 5955 1 20 . 1 1 117 117 SER C C 117 175.595 175.595 176.446 -0.851 19774 5956 1 20 . 1 1 117 117 SER CA C 117 59.926 59.926 62.059 -2.134 19774 5957 1 20 . 1 1 117 117 SER CB C 117 63.351 63.351 62.992 0.359 19774 5958 1 20 . 1 1 117 117 SER H H 117 8.050 8.050 7.775 0.275 19774 5959 1 20 . 1 1 118 118 LEU N N 118 122.792 122.792 121.170 1.622 19774 5960 1 20 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.068 0.214 19774 5961 1 20 . 1 1 118 118 LEU C C 118 177.998 177.998 178.554 -0.556 19774 5962 1 20 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.481 -1.340 19774 5963 1 20 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.955 0.119 19774 5964 1 20 . 1 1 118 118 LEU H H 118 7.984 7.984 7.765 0.219 19774 5965 1 20 . 1 1 119 119 ASN N N 119 118.030 118.030 116.035 1.995 19774 5966 1 20 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.501 0.202 19774 5967 1 20 . 1 1 119 119 ASN C C 119 175.640 175.640 176.676 -1.036 19774 5968 1 20 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.334 -1.573 19774 5969 1 20 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.775 0.048 19774 5970 1 20 . 1 1 119 119 ASN H H 119 8.199 8.199 7.837 0.362 19774 5971 1 20 . 1 1 120 120 SER N N 120 115.677 115.677 113.933 1.744 19774 5972 1 20 . 1 1 120 120 SER HA H 120 4.473 4.473 4.497 -0.024 19774 5973 1 20 . 1 1 120 120 SER CA C 120 58.803 58.803 59.156 -0.353 19774 5974 1 20 . 1 1 120 120 SER CB C 120 63.708 63.708 63.872 -0.164 19774 5975 1 20 . 1 1 120 120 SER H H 120 8.200 8.200 7.709 0.491 19774 5976 1 20 . 1 1 123 123 PRO C C 123 177.186 177.186 177.003 0.183 19774 5977 1 20 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.718 0.640 19774 5978 1 20 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.114 0.049 19774 5979 1 20 . 1 1 124 124 SER N N 124 116.200 116.200 118.286 -2.086 19774 5980 1 20 . 1 1 124 124 SER HA H 124 4.990 4.990 4.327 0.663 19774 5981 1 20 . 1 1 124 124 SER C C 124 174.548 174.548 174.917 -0.369 19774 5982 1 20 . 1 1 124 124 SER CA C 124 58.600 58.600 58.496 0.104 19774 5983 1 20 . 1 1 124 124 SER CB C 124 63.727 63.727 63.788 -0.061 19774 5984 1 20 . 1 1 124 124 SER H H 124 8.596 8.596 8.283 0.313 19774 5985 1 20 . 1 1 125 125 ASP N N 125 122.649 122.649 124.329 -1.680 19774 5986 1 20 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.731 -0.123 19774 5987 1 20 . 1 1 125 125 ASP C C 125 176.378 176.378 177.445 -1.067 19774 5988 1 20 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.278 -0.031 19774 5989 1 20 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.624 -0.544 19774 5990 1 20 . 1 1 125 125 ASP H H 125 8.427 8.427 8.352 0.075 19774 5991 1 20 . 1 1 126 126 ALA N N 126 124.975 124.975 126.544 -1.569 19774 5992 1 20 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.142 0.161 19774 5993 1 20 . 1 1 126 126 ALA C C 126 178.138 178.138 178.078 0.060 19774 5994 1 20 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.289 -1.222 19774 5995 1 20 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.911 0.008 19774 5996 1 20 . 1 1 126 126 ALA H H 126 8.401 8.401 8.578 -0.177 19774 5997 1 20 . 1 1 127 127 SER N N 127 114.892 114.892 113.592 1.300 19774 5998 1 20 . 1 1 127 127 SER HA H 127 4.380 4.380 4.431 -0.051 19774 5999 1 20 . 1 1 127 127 SER C C 127 174.582 174.582 174.706 -0.124 19774 6000 1 20 . 1 1 127 127 SER CA C 127 58.826 58.826 58.475 0.351 19774 6001 1 20 . 1 1 127 127 SER CB C 127 63.662 63.662 63.100 0.562 19774 6002 1 20 . 1 1 127 127 SER H H 127 8.403 8.403 7.996 0.407 19774 6003 1 20 . 1 1 128 128 ALA N N 128 125.815 125.815 120.638 5.177 19774 6004 1 20 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.029 0.360 19774 6005 1 20 . 1 1 128 128 ALA C C 128 177.957 177.957 176.519 1.438 19774 6006 1 20 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.170 -0.459 19774 6007 1 20 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.392 1.852 19774 6008 1 20 . 1 1 128 128 ALA H H 128 8.266 8.266 7.962 0.304 19774 6009 1 20 . 1 1 129 129 THR N N 129 113.766 113.766 109.444 4.322 19774 6010 1 20 . 1 1 129 129 THR HA H 129 4.310 4.310 4.353 -0.043 19774 6011 1 20 . 1 1 129 129 THR C C 129 174.414 174.414 173.758 0.656 19774 6012 1 20 . 1 1 129 129 THR CA C 129 62.010 62.010 60.680 1.330 19774 6013 1 20 . 1 1 129 129 THR CB C 129 69.748 69.748 69.927 -0.179 19774 6014 1 20 . 1 1 129 129 THR H H 129 8.200 8.200 7.611 0.589 19774 6015 1 20 . 1 1 130 130 ARG N N 130 124.611 124.611 123.165 1.446 19774 6016 1 20 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.482 -0.032 19774 6017 1 20 . 1 1 130 130 ARG C C 130 175.443 175.443 175.853 -0.410 19774 6018 1 20 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.471 0.508 19774 6019 1 20 . 1 1 130 130 ARG CB C 130 30.903 30.903 31.098 -0.195 19774 6020 1 20 . 1 1 130 130 ARG H H 130 8.457 8.457 8.497 -0.040 19774 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 53 2.000 -0.922 1.792 19774 2 1 1 "Average Difference" HA 48 0.222 -0.144 0.171 19774 3 1 1 "Average Difference" C 52 0.712 0.097 0.712 19774 4 1 1 "Average Difference" CA 49 0.936 0.368 0.869 19774 5 1 1 "Average Difference" CB 48 0.721 -0.391 0.612 19774 6 1 1 "Average Difference" HN 53 0.439 -0.294 0.329 19774 7 1 2 "Average Difference" N 53 1.896 -0.840 1.716 19774 8 1 2 "Average Difference" HA 48 0.202 -0.128 0.158 19774 9 1 2 "Average Difference" C 52 0.746 0.075 0.750 19774 10 1 2 "Average Difference" CA 49 0.958 0.453 0.853 19774 11 1 2 "Average Difference" CB 48 0.641 -0.275 0.585 19774 12 1 2 "Average Difference" HN 53 0.398 -0.270 0.295 19774 13 1 3 "Average Difference" N 53 2.146 -1.085 1.869 19774 14 1 3 "Average Difference" HA 48 0.216 -0.153 0.155 19774 15 1 3 "Average Difference" C 52 0.752 0.170 0.739 19774 16 1 3 "Average Difference" CA 49 0.919 0.388 0.842 19774 17 1 3 "Average Difference" CB 48 0.637 -0.342 0.543 19774 18 1 3 "Average Difference" HN 53 0.369 -0.263 0.261 19774 19 1 4 "Average Difference" N 53 1.984 -1.084 1.678 19774 20 1 4 "Average Difference" HA 48 0.203 -0.139 0.150 19774 21 1 4 "Average Difference" C 52 0.797 0.198 0.779 19774 22 1 4 "Average Difference" CA 49 0.969 0.363 0.908 19774 23 1 4 "Average Difference" CB 48 0.586 -0.302 0.507 19774 24 1 4 "Average Difference" HN 53 0.445 -0.329 0.301 19774 25 1 5 "Average Difference" N 53 1.657 -0.636 1.545 19774 26 1 5 "Average Difference" HA 48 0.213 -0.128 0.172 19774 27 1 5 "Average Difference" C 52 0.848 0.154 0.842 19774 28 1 5 "Average Difference" CA 49 0.950 0.421 0.860 19774 29 1 5 "Average Difference" CB 48 0.616 -0.317 0.534 19774 30 1 5 "Average Difference" HN 53 0.425 -0.281 0.321 19774 31 1 6 "Average Difference" N 53 1.954 -0.684 1.847 19774 32 1 6 "Average Difference" HA 48 0.201 -0.142 0.144 19774 33 1 6 "Average Difference" C 52 0.774 0.225 0.748 19774 34 1 6 "Average Difference" CA 49 1.007 0.417 0.925 19774 35 1 6 "Average Difference" CB 48 0.625 -0.285 0.562 19774 36 1 6 "Average Difference" HN 53 0.343 -0.174 0.299 19774 37 1 7 "Average Difference" N 53 2.035 -0.908 1.839 19774 38 1 7 "Average Difference" HA 48 0.218 -0.162 0.148 19774 39 1 7 "Average Difference" C 52 0.811 0.245 0.781 19774 40 1 7 "Average Difference" CA 49 1.066 0.565 0.914 19774 41 1 7 "Average Difference" CB 48 0.632 -0.233 0.593 19774 42 1 7 "Average Difference" HN 53 0.394 -0.233 0.321 19774 43 1 8 "Average Difference" N 53 2.071 -0.857 1.904 19774 44 1 8 "Average Difference" HA 48 0.194 -0.130 0.146 19774 45 1 8 "Average Difference" C 52 0.800 0.126 0.798 19774 46 1 8 "Average Difference" CA 49 0.948 0.350 0.890 19774 47 1 8 "Average Difference" CB 48 0.639 -0.381 0.519 19774 48 1 8 "Average Difference" HN 53 0.424 -0.294 0.309 19774 49 1 9 "Average Difference" N 53 1.950 -0.608 1.870 19774 50 1 9 "Average Difference" HA 48 0.199 -0.131 0.152 19774 51 1 9 "Average Difference" C 52 0.783 0.172 0.771 19774 52 1 9 "Average Difference" CA 49 0.961 0.482 0.840 19774 53 1 9 "Average Difference" CB 48 0.636 -0.344 0.541 19774 54 1 9 "Average Difference" HN 53 0.414 -0.270 0.317 19774 55 1 10 "Average Difference" N 53 1.937 -0.803 1.780 19774 56 1 10 "Average Difference" HA 48 0.204 -0.129 0.160 19774 57 1 10 "Average Difference" C 52 0.736 0.178 0.721 19774 58 1 10 "Average Difference" CA 49 0.917 0.356 0.854 19774 59 1 10 "Average Difference" CB 48 0.562 -0.255 0.506 19774 60 1 10 "Average Difference" HN 53 0.407 -0.262 0.314 19774 61 1 11 "Average Difference" N 53 2.102 -0.657 2.016 19774 62 1 11 "Average Difference" HA 48 0.230 -0.153 0.174 19774 63 1 11 "Average Difference" C 52 0.769 0.210 0.747 19774 64 1 11 "Average Difference" CA 49 1.062 0.593 0.890 19774 65 1 11 "Average Difference" CB 48 0.560 -0.275 0.493 19774 66 1 11 "Average Difference" HN 53 0.360 -0.233 0.277 19774 67 1 12 "Average Difference" N 53 2.060 -0.731 1.945 19774 68 1 12 "Average Difference" HA 48 0.195 -0.132 0.145 19774 69 1 12 "Average Difference" C 52 0.738 0.168 0.725 19774 70 1 12 "Average Difference" CA 49 0.934 0.425 0.840 19774 71 1 12 "Average Difference" CB 48 0.633 -0.327 0.547 19774 72 1 12 "Average Difference" HN 53 0.411 -0.256 0.325 19774 73 1 13 "Average Difference" N 53 1.830 -0.772 1.675 19774 74 1 13 "Average Difference" HA 48 0.202 -0.120 0.164 19774 75 1 13 "Average Difference" C 52 0.778 0.195 0.761 19774 76 1 13 "Average Difference" CA 49 0.940 0.469 0.823 19774 77 1 13 "Average Difference" CB 48 0.643 -0.249 0.599 19774 78 1 13 "Average Difference" HN 53 0.432 -0.250 0.355 19774 79 1 14 "Average Difference" N 53 1.691 -0.774 1.518 19774 80 1 14 "Average Difference" HA 48 0.208 -0.140 0.156 19774 81 1 14 "Average Difference" C 52 0.829 0.235 0.803 19774 82 1 14 "Average Difference" CA 49 0.913 0.451 0.802 19774 83 1 14 "Average Difference" CB 48 0.536 -0.324 0.431 19774 84 1 14 "Average Difference" HN 53 0.447 -0.288 0.344 19774 85 1 15 "Average Difference" N 53 1.851 -0.970 1.591 19774 86 1 15 "Average Difference" HA 48 0.199 -0.126 0.156 19774 87 1 15 "Average Difference" C 52 0.794 0.214 0.772 19774 88 1 15 "Average Difference" CA 49 0.961 0.398 0.884 19774 89 1 15 "Average Difference" CB 48 0.583 -0.269 0.523 19774 90 1 15 "Average Difference" HN 53 0.420 -0.245 0.345 19774 91 1 16 "Average Difference" N 53 1.858 -0.678 1.747 19774 92 1 16 "Average Difference" HA 48 0.213 -0.133 0.168 19774 93 1 16 "Average Difference" C 52 0.784 0.132 0.780 19774 94 1 16 "Average Difference" CA 49 0.941 0.441 0.839 19774 95 1 16 "Average Difference" CB 48 0.660 -0.393 0.536 19774 96 1 16 "Average Difference" HN 53 0.414 -0.288 0.299 19774 97 1 17 "Average Difference" N 53 1.702 -0.720 1.557 19774 98 1 17 "Average Difference" HA 48 0.194 -0.131 0.145 19774 99 1 17 "Average Difference" C 52 0.708 0.145 0.700 19774 100 1 17 "Average Difference" CA 49 1.082 0.505 0.967 19774 101 1 17 "Average Difference" CB 48 0.507 -0.266 0.436 19774 102 1 17 "Average Difference" HN 53 0.425 -0.260 0.339 19774 103 1 18 "Average Difference" N 53 1.961 -0.750 1.829 19774 104 1 18 "Average Difference" HA 48 0.199 -0.107 0.170 19774 105 1 18 "Average Difference" C 52 0.774 0.226 0.748 19774 106 1 18 "Average Difference" CA 49 1.045 0.354 0.994 19774 107 1 18 "Average Difference" CB 48 0.685 -0.284 0.630 19774 108 1 18 "Average Difference" HN 53 0.381 -0.182 0.338 19774 109 1 19 "Average Difference" N 53 1.964 -0.807 1.808 19774 110 1 19 "Average Difference" HA 48 0.211 -0.118 0.177 19774 111 1 19 "Average Difference" C 52 0.739 0.124 0.736 19774 112 1 19 "Average Difference" CA 49 0.982 0.352 0.926 19774 113 1 19 "Average Difference" CB 48 0.699 -0.284 0.646 19774 114 1 19 "Average Difference" HN 53 0.428 -0.252 0.350 19774 115 1 20 "Average Difference" N 53 2.012 -0.968 1.781 19774 116 1 20 "Average Difference" HA 48 0.222 -0.150 0.166 19774 117 1 20 "Average Difference" C 52 0.803 0.147 0.797 19774 118 1 20 "Average Difference" CA 49 0.983 0.429 0.894 19774 119 1 20 "Average Difference" CB 48 0.545 -0.249 0.490 19774 120 1 20 "Average Difference" HN 53 0.379 -0.251 0.286 19774 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 19774 _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 LEU N N -2 122.796 122.796 120.898 1.898 19774 2 1 . 1 1 -2 -2 LEU HA H -2 4.345 4.345 4.174 0.171 19774 3 1 . 1 1 -2 -2 LEU C C -2 178.154 178.154 177.540 0.614 19774 4 1 . 1 1 -2 -2 LEU CA C -2 55.592 55.592 55.458 0.134 19774 5 1 . 1 1 -2 -2 LEU CB C -2 42.228 42.228 41.561 0.667 19774 6 1 . 1 1 -2 -2 LEU H H -2 8.704 8.704 8.106 0.598 19774 7 1 . 1 1 -1 -1 GLY N N -1 110.002 110.002 107.970 2.032 19774 8 1 . 1 1 -1 -1 GLY C C -1 174.468 174.468 174.654 -0.186 19774 9 1 . 1 1 -1 -1 GLY CA C -1 45.323 45.323 45.005 0.318 19774 10 1 . 1 1 -1 -1 GLY H H -1 8.548 8.548 8.368 0.180 19774 11 1 . 1 1 75 75 LYS N N 75 123.250 123.250 122.463 0.787 19774 12 1 . 1 1 75 75 LYS HA H 75 4.303 4.303 4.317 -0.014 19774 13 1 . 1 1 75 75 LYS C C 75 176.826 176.826 176.320 0.506 19774 14 1 . 1 1 75 75 LYS CA C 75 56.381 56.381 56.208 0.173 19774 15 1 . 1 1 75 75 LYS CB C 75 32.874 32.874 33.015 -0.141 19774 16 1 . 1 1 75 75 LYS H H 75 8.447 8.447 8.284 0.163 19774 17 1 . 1 1 76 76 ILE N N 76 123.138 123.138 122.162 0.976 19774 18 1 . 1 1 76 76 ILE HA H 76 4.092 4.092 4.070 0.022 19774 19 1 . 1 1 76 76 ILE C C 76 176.311 176.311 176.389 -0.078 19774 20 1 . 1 1 76 76 ILE CA C 76 61.588 61.588 60.820 0.768 19774 21 1 . 1 1 76 76 ILE CB C 76 38.569 38.569 37.610 0.959 19774 22 1 . 1 1 76 76 ILE H H 76 8.315 8.315 8.209 0.106 19774 23 1 . 1 1 77 77 ALA N N 77 127.035 127.035 130.460 -3.425 19774 24 1 . 1 1 77 77 ALA HA H 77 4.258 4.258 4.330 -0.072 19774 25 1 . 1 1 77 77 ALA C C 77 177.642 177.642 177.155 0.487 19774 26 1 . 1 1 77 77 ALA CA C 77 52.835 52.835 51.622 1.213 19774 27 1 . 1 1 77 77 ALA CB C 77 19.100 19.100 19.572 -0.472 19774 28 1 . 1 1 77 77 ALA H H 77 8.446 8.446 8.114 0.332 19774 29 1 . 1 1 78 78 GLN N N 78 119.150 119.150 120.121 -0.971 19774 30 1 . 1 1 78 78 GLN HA H 78 4.313 4.313 4.242 0.071 19774 31 1 . 1 1 78 78 GLN C C 78 176.025 176.025 175.686 0.339 19774 32 1 . 1 1 78 78 GLN CA C 78 55.721 55.721 55.956 -0.235 19774 33 1 . 1 1 78 78 GLN CB C 78 29.531 29.531 29.255 0.276 19774 34 1 . 1 1 78 78 GLN H H 78 8.323 8.323 8.342 -0.019 19774 35 1 . 1 1 79 79 MET N N 79 122.456 122.456 122.359 0.097 19774 36 1 . 1 1 79 79 MET HA H 79 4.619 4.619 4.631 -0.012 19774 37 1 . 1 1 79 79 MET C C 79 177.080 177.080 176.846 0.234 19774 38 1 . 1 1 79 79 MET CA C 79 56.021 56.021 54.910 1.111 19774 39 1 . 1 1 79 79 MET CB C 79 34.723 34.723 33.161 1.562 19774 40 1 . 1 1 79 79 MET H H 79 8.410 8.410 8.275 0.135 19774 41 1 . 1 1 80 80 THR N N 80 115.145 115.145 115.093 0.052 19774 42 1 . 1 1 80 80 THR HA H 80 4.390 4.390 4.479 -0.089 19774 43 1 . 1 1 80 80 THR C C 80 175.463 175.463 175.550 -0.087 19774 44 1 . 1 1 80 80 THR CA C 80 61.546 61.546 60.935 0.611 19774 45 1 . 1 1 80 80 THR CB C 80 70.845 70.845 70.538 0.307 19774 46 1 . 1 1 80 80 THR H H 80 8.915 8.915 8.483 0.432 19774 47 1 . 1 1 81 81 GLU N N 81 122.254 122.254 121.966 0.288 19774 48 1 . 1 1 81 81 GLU HA H 81 4.007 4.007 4.026 -0.019 19774 49 1 . 1 1 81 81 GLU C C 81 178.734 178.734 178.937 -0.203 19774 50 1 . 1 1 81 81 GLU CA C 81 59.798 59.798 60.059 -0.261 19774 51 1 . 1 1 81 81 GLU CB C 81 29.394 29.394 29.271 0.123 19774 52 1 . 1 1 81 81 GLU H H 81 9.076 9.076 8.951 0.125 19774 53 1 . 1 1 82 82 GLU N N 82 119.436 119.436 118.962 0.474 19774 54 1 . 1 1 82 82 GLU HA H 82 4.123 4.123 4.129 -0.006 19774 55 1 . 1 1 82 82 GLU C C 82 179.545 179.545 179.016 0.529 19774 56 1 . 1 1 82 82 GLU CA C 82 59.825 59.825 59.343 0.482 19774 57 1 . 1 1 82 82 GLU CB C 82 29.268 29.268 29.149 0.119 19774 58 1 . 1 1 82 82 GLU H H 82 8.839 8.839 8.699 0.140 19774 59 1 . 1 1 83 83 GLU N N 83 121.597 121.597 119.709 1.888 19774 60 1 . 1 1 83 83 GLU HA H 83 4.102 4.102 4.038 0.064 19774 61 1 . 1 1 83 83 GLU C C 83 179.440 179.440 179.028 0.412 19774 62 1 . 1 1 83 83 GLU CA C 83 58.903 58.903 59.244 -0.341 19774 63 1 . 1 1 83 83 GLU CB C 83 30.027 30.027 29.479 0.548 19774 64 1 . 1 1 83 83 GLU H H 83 8.029 8.029 7.700 0.329 19774 65 1 . 1 1 84 84 GLN N N 84 120.565 120.565 119.332 1.233 19774 66 1 . 1 1 84 84 GLN HA H 84 4.029 4.029 4.077 -0.048 19774 67 1 . 1 1 84 84 GLN C C 84 178.689 178.689 178.301 0.388 19774 68 1 . 1 1 84 84 GLN CA C 84 59.019 59.019 58.712 0.307 19774 69 1 . 1 1 84 84 GLN CB C 84 28.613 28.613 28.542 0.071 19774 70 1 . 1 1 84 84 GLN H H 84 8.575 8.575 8.001 0.574 19774 71 1 . 1 1 85 85 PHE N N 85 121.525 121.525 120.637 0.888 19774 72 1 . 1 1 85 85 PHE HA H 85 4.229 4.229 4.105 0.124 19774 73 1 . 1 1 85 85 PHE C C 85 177.713 177.713 176.753 0.960 19774 74 1 . 1 1 85 85 PHE CA C 85 60.323 60.323 61.034 -0.711 19774 75 1 . 1 1 85 85 PHE CB C 85 38.720 38.720 38.920 -0.200 19774 76 1 . 1 1 85 85 PHE H H 85 8.483 8.483 8.184 0.299 19774 77 1 . 1 1 86 86 ALA N N 86 121.849 121.849 122.240 -0.391 19774 78 1 . 1 1 86 86 ALA HA H 86 4.144 4.144 3.898 0.246 19774 79 1 . 1 1 86 86 ALA C C 86 180.283 180.283 179.367 0.916 19774 80 1 . 1 1 86 86 ALA CA C 86 54.695 54.695 55.047 -0.352 19774 81 1 . 1 1 86 86 ALA CB C 86 18.212 18.212 18.147 0.065 19774 82 1 . 1 1 86 86 ALA H H 86 8.072 8.072 8.139 -0.067 19774 83 1 . 1 1 87 87 LEU N N 87 120.459 120.459 119.569 0.890 19774 84 1 . 1 1 87 87 LEU HA H 87 4.218 4.218 3.926 0.292 19774 85 1 . 1 1 87 87 LEU C C 87 178.387 178.387 178.697 -0.310 19774 86 1 . 1 1 87 87 LEU CA C 87 57.257 57.257 57.584 -0.327 19774 87 1 . 1 1 87 87 LEU CB C 87 41.875 41.875 41.401 0.474 19774 88 1 . 1 1 87 87 LEU H H 87 8.010 8.010 8.000 0.010 19774 89 1 . 1 1 88 88 ALA N N 88 122.123 122.123 121.978 0.145 19774 90 1 . 1 1 88 88 ALA HA H 88 4.134 4.134 3.942 0.192 19774 91 1 . 1 1 88 88 ALA C C 88 180.241 180.241 179.659 0.582 19774 92 1 . 1 1 88 88 ALA CA C 88 54.492 54.492 54.965 -0.473 19774 93 1 . 1 1 88 88 ALA CB C 88 17.859 17.859 18.076 -0.217 19774 94 1 . 1 1 88 88 ALA H H 88 7.981 7.981 7.699 0.282 19774 95 1 . 1 1 89 89 LEU N N 89 119.923 119.923 118.636 1.287 19774 96 1 . 1 1 89 89 LEU HA H 89 4.134 4.134 3.845 0.289 19774 97 1 . 1 1 89 89 LEU C C 89 178.981 178.981 179.062 -0.081 19774 98 1 . 1 1 89 89 LEU CA C 89 57.004 57.004 57.432 -0.428 19774 99 1 . 1 1 89 89 LEU CB C 89 41.945 41.945 41.189 0.756 19774 100 1 . 1 1 89 89 LEU H H 89 7.897 7.897 7.492 0.405 19774 101 1 . 1 1 90 90 LYS N N 90 120.679 120.679 119.880 0.799 19774 102 1 . 1 1 90 90 LYS HA H 90 4.176 4.176 4.010 0.167 19774 103 1 . 1 1 90 90 LYS C C 90 178.799 178.799 179.085 -0.286 19774 104 1 . 1 1 90 90 LYS CA C 90 58.199 58.199 59.244 -1.045 19774 105 1 . 1 1 90 90 LYS CB C 90 32.443 32.443 32.273 0.170 19774 106 1 . 1 1 90 90 LYS H H 90 7.913 7.913 7.791 0.122 19774 107 1 . 1 1 91 91 MET N N 91 118.958 118.958 118.391 0.567 19774 108 1 . 1 1 91 91 MET HA H 91 4.366 4.366 4.225 0.141 19774 109 1 . 1 1 91 91 MET C C 91 177.925 177.925 178.520 -0.595 19774 110 1 . 1 1 91 91 MET CA C 91 57.121 57.121 58.258 -1.137 19774 111 1 . 1 1 91 91 MET CB C 91 32.242 32.242 32.146 0.096 19774 112 1 . 1 1 91 91 MET H H 91 8.392 8.392 8.116 0.276 19774 113 1 . 1 1 92 92 SER N N 92 116.458 116.458 115.597 0.861 19774 114 1 . 1 1 92 92 SER HA H 92 4.376 4.376 4.232 0.144 19774 115 1 . 1 1 92 92 SER C C 92 175.910 175.910 176.938 -1.028 19774 116 1 . 1 1 92 92 SER CA C 92 60.139 60.139 61.525 -1.385 19774 117 1 . 1 1 92 92 SER CB C 92 63.292 63.292 62.786 0.506 19774 118 1 . 1 1 92 92 SER H H 92 8.268 8.268 7.892 0.376 19774 119 1 . 1 1 93 93 GLU N N 93 122.379 122.379 121.931 0.448 19774 120 1 . 1 1 93 93 GLU HA H 93 4.208 4.208 4.012 0.196 19774 121 1 . 1 1 93 93 GLU CA C 93 57.993 57.993 59.225 -1.232 19774 122 1 . 1 1 93 93 GLU CB C 93 29.786 29.786 29.335 0.451 19774 123 1 . 1 1 93 93 GLU H H 93 8.255 8.255 7.888 0.367 19774 124 1 . 1 1 94 94 GLN C C 94 177.043 177.043 178.816 -1.773 19774 125 1 . 1 1 94 94 GLN CA C 94 57.109 57.109 58.695 -1.586 19774 126 1 . 1 1 94 94 GLN CB C 94 28.971 28.971 28.507 0.464 19774 127 1 . 1 1 95 95 GLU N N 95 121.162 121.162 119.419 1.743 19774 128 1 . 1 1 95 95 GLU HA H 95 4.166 4.166 4.150 0.016 19774 129 1 . 1 1 95 95 GLU C C 95 177.150 177.150 178.500 -1.350 19774 130 1 . 1 1 95 95 GLU CA C 95 57.579 57.579 58.742 -1.163 19774 131 1 . 1 1 95 95 GLU CB C 95 29.982 29.982 29.387 0.595 19774 132 1 . 1 1 95 95 GLU H H 95 8.294 8.294 7.900 0.394 19774 133 1 . 1 1 96 96 ALA N N 96 123.599 123.599 121.326 2.273 19774 134 1 . 1 1 96 96 ALA HA H 96 4.313 4.313 4.134 0.179 19774 135 1 . 1 1 96 96 ALA C C 96 178.276 178.276 179.727 -1.451 19774 136 1 . 1 1 96 96 ALA CA C 96 53.182 53.182 54.549 -1.367 19774 137 1 . 1 1 96 96 ALA CB C 96 18.685 18.685 18.600 0.085 19774 138 1 . 1 1 96 96 ALA H H 96 8.209 8.209 7.820 0.389 19774 139 1 . 1 1 97 97 ARG N N 97 119.759 119.759 116.404 3.355 19774 140 1 . 1 1 97 97 ARG HA H 97 4.292 4.292 4.131 0.161 19774 141 1 . 1 1 97 97 ARG C C 97 176.904 176.904 177.642 -0.738 19774 142 1 . 1 1 97 97 ARG CA C 97 56.702 56.702 57.883 -1.181 19774 143 1 . 1 1 97 97 ARG CB C 97 30.870 30.870 29.975 0.895 19774 144 1 . 1 1 97 97 ARG H H 97 8.123 8.123 7.700 0.423 19774 145 1 . 1 1 98 98 GLU N N 98 121.995 121.995 116.790 5.206 19774 146 1 . 1 1 98 98 GLU HA H 98 4.260 4.260 4.262 -0.002 19774 147 1 . 1 1 98 98 GLU C C 98 176.939 176.939 176.566 0.373 19774 148 1 . 1 1 98 98 GLU CA C 98 56.950 56.950 56.492 0.458 19774 149 1 . 1 1 98 98 GLU CB C 98 30.051 30.051 29.816 0.235 19774 150 1 . 1 1 98 98 GLU H H 98 8.382 8.382 7.663 0.719 19774 151 1 . 1 1 99 99 VAL N N 99 121.412 121.412 120.377 1.035 19774 152 1 . 1 1 99 99 VAL HA H 99 4.071 4.071 3.955 0.116 19774 153 1 . 1 1 99 99 VAL C C 99 176.276 176.276 175.679 0.597 19774 154 1 . 1 1 99 99 VAL CA C 99 62.936 62.936 62.442 0.494 19774 155 1 . 1 1 99 99 VAL CB C 99 32.750 32.750 32.240 0.510 19774 156 1 . 1 1 99 99 VAL H H 99 8.269 8.269 7.282 0.987 19774 157 1 . 1 1 100 100 ASN N N 100 122.455 122.455 124.553 -2.098 19774 158 1 . 1 1 100 100 ASN HA H 100 4.819 4.819 4.654 0.165 19774 159 1 . 1 1 100 100 ASN C C 100 175.671 175.671 176.410 -0.739 19774 160 1 . 1 1 100 100 ASN CA C 100 53.425 53.425 53.623 -0.198 19774 161 1 . 1 1 100 100 ASN CB C 100 39.040 39.040 39.239 -0.199 19774 162 1 . 1 1 100 100 ASN H H 100 8.642 8.642 8.555 0.087 19774 163 1 . 1 1 101 101 SER N N 101 117.265 117.265 119.109 -1.844 19774 164 1 . 1 1 101 101 SER HA H 101 4.408 4.408 4.189 0.219 19774 165 1 . 1 1 101 101 SER C C 101 175.147 175.147 176.088 -0.941 19774 166 1 . 1 1 101 101 SER CA C 101 59.187 59.187 61.302 -2.115 19774 167 1 . 1 1 101 101 SER CB C 101 63.672 63.672 63.207 0.465 19774 168 1 . 1 1 101 101 SER H H 101 8.548 8.548 8.856 -0.308 19774 169 1 . 1 1 102 102 GLN N N 102 122.686 122.686 120.211 2.475 19774 170 1 . 1 1 102 102 GLN HA H 102 4.292 4.292 4.135 0.157 19774 171 1 . 1 1 102 102 GLN C C 102 177.127 177.127 178.178 -1.051 19774 172 1 . 1 1 102 102 GLN CA C 102 57.385 57.385 58.840 -1.455 19774 173 1 . 1 1 102 102 GLN CB C 102 28.800 28.800 28.168 0.631 19774 174 1 . 1 1 102 102 GLN H H 102 8.596 8.596 8.530 0.066 19774 175 1 . 1 1 103 103 GLU N N 103 121.071 121.071 119.936 1.135 19774 176 1 . 1 1 103 103 GLU HA H 103 4.176 4.176 4.076 0.100 19774 177 1 . 1 1 103 103 GLU C C 103 178.080 178.080 178.749 -0.669 19774 178 1 . 1 1 103 103 GLU CA C 103 58.301 58.301 59.386 -1.085 19774 179 1 . 1 1 103 103 GLU CB C 103 29.701 29.701 29.215 0.486 19774 180 1 . 1 1 103 103 GLU H H 103 8.502 8.502 8.183 0.319 19774 181 1 . 1 1 104 104 GLU N N 104 121.073 121.073 119.573 1.500 19774 182 1 . 1 1 104 104 GLU C C 104 178.186 178.186 178.894 -0.708 19774 183 1 . 1 1 104 104 GLU H H 104 8.389 8.389 7.988 0.401 19774 184 1 . 1 1 105 105 GLU N N 105 121.561 121.561 119.950 1.611 19774 185 1 . 1 1 105 105 GLU C C 105 178.380 178.380 178.879 -0.499 19774 186 1 . 1 1 105 105 GLU H H 105 8.454 8.454 7.927 0.527 19774 187 1 . 1 1 106 106 GLU N N 106 120.852 120.852 119.430 1.422 19774 188 1 . 1 1 106 106 GLU C C 106 178.758 178.758 178.889 -0.131 19774 189 1 . 1 1 106 106 GLU H H 106 8.473 8.473 8.100 0.373 19774 190 1 . 1 1 107 107 GLU N N 107 120.445 120.445 119.550 0.895 19774 191 1 . 1 1 107 107 GLU C C 107 178.661 178.661 178.880 -0.219 19774 192 1 . 1 1 107 107 GLU H H 107 8.396 8.396 7.903 0.493 19774 193 1 . 1 1 108 108 GLU N N 108 121.089 121.089 120.133 0.956 19774 194 1 . 1 1 108 108 GLU C C 108 178.454 178.454 179.139 -0.685 19774 195 1 . 1 1 108 108 GLU H H 108 8.139 8.139 7.835 0.304 19774 196 1 . 1 1 109 109 LEU N N 109 120.552 120.552 120.201 0.351 19774 197 1 . 1 1 109 109 LEU HA H 109 4.113 4.113 4.042 0.071 19774 198 1 . 1 1 109 109 LEU C C 109 180.104 180.104 179.156 0.948 19774 199 1 . 1 1 109 109 LEU CA C 109 57.910 57.910 57.869 0.041 19774 200 1 . 1 1 109 109 LEU CB C 109 41.691 41.691 41.665 0.026 19774 201 1 . 1 1 109 109 LEU H H 109 8.097 8.097 7.885 0.212 19774 202 1 . 1 1 110 110 LEU N N 110 121.275 121.275 119.884 1.391 19774 203 1 . 1 1 110 110 LEU HA H 110 4.239 4.239 3.948 0.291 19774 204 1 . 1 1 110 110 LEU CA C 110 57.495 57.495 58.063 -0.568 19774 205 1 . 1 1 110 110 LEU CB C 110 41.656 41.656 41.421 0.234 19774 206 1 . 1 1 110 110 LEU H H 110 7.964 7.964 8.088 -0.124 19774 207 1 . 1 1 112 112 LYS N N 112 120.602 120.602 119.540 1.062 19774 208 1 . 1 1 112 112 LYS C C 112 177.904 177.904 178.616 -0.712 19774 209 1 . 1 1 112 112 LYS H H 112 8.279 8.279 7.879 0.400 19774 210 1 . 1 1 113 113 ALA N N 113 122.972 122.972 122.458 0.514 19774 211 1 . 1 1 113 113 ALA HA H 113 4.282 4.282 4.178 0.104 19774 212 1 . 1 1 113 113 ALA C C 113 180.557 180.557 179.933 0.624 19774 213 1 . 1 1 113 113 ALA CA C 113 54.476 54.476 54.965 -0.489 19774 214 1 . 1 1 113 113 ALA CB C 113 18.266 18.266 18.264 0.002 19774 215 1 . 1 1 113 113 ALA H H 113 7.992 7.992 7.852 0.140 19774 216 1 . 1 1 114 114 ILE N N 114 120.299 120.299 118.951 1.348 19774 217 1 . 1 1 114 114 ILE HA H 114 3.849 3.849 3.693 0.156 19774 218 1 . 1 1 114 114 ILE C C 114 178.314 178.314 177.950 0.364 19774 219 1 . 1 1 114 114 ILE CA C 114 63.783 63.783 64.333 -0.550 19774 220 1 . 1 1 114 114 ILE CB C 114 38.331 38.331 37.380 0.951 19774 221 1 . 1 1 114 114 ILE H H 114 8.231 8.231 7.732 0.499 19774 222 1 . 1 1 115 115 ALA N N 115 124.227 124.227 122.167 2.060 19774 223 1 . 1 1 115 115 ALA HA H 115 4.208 4.208 3.965 0.243 19774 224 1 . 1 1 115 115 ALA C C 115 179.824 179.824 179.766 0.058 19774 225 1 . 1 1 115 115 ALA CA C 115 54.557 54.557 55.441 -0.884 19774 226 1 . 1 1 115 115 ALA CB C 115 18.281 18.281 18.068 0.213 19774 227 1 . 1 1 115 115 ALA H H 115 8.087 8.087 7.944 0.143 19774 228 1 . 1 1 116 116 GLU N N 116 118.344 118.344 118.446 -0.102 19774 229 1 . 1 1 116 116 GLU HA H 116 4.208 4.208 3.969 0.239 19774 230 1 . 1 1 116 116 GLU C C 116 178.142 178.142 179.222 -1.080 19774 231 1 . 1 1 116 116 GLU CA C 116 57.988 57.988 59.175 -1.187 19774 232 1 . 1 1 116 116 GLU CB C 116 29.653 29.653 29.375 0.278 19774 233 1 . 1 1 116 116 GLU H H 116 8.322 8.322 8.327 -0.005 19774 234 1 . 1 1 117 117 SER N N 117 115.778 115.778 115.691 0.087 19774 235 1 . 1 1 117 117 SER HA H 117 4.380 4.380 4.208 0.172 19774 236 1 . 1 1 117 117 SER C C 117 175.595 175.595 176.528 -0.933 19774 237 1 . 1 1 117 117 SER CA C 117 59.926 59.926 61.749 -1.823 19774 238 1 . 1 1 117 117 SER CB C 117 63.351 63.351 63.060 0.291 19774 239 1 . 1 1 117 117 SER H H 117 8.050 8.050 7.892 0.158 19774 240 1 . 1 1 118 118 LEU N N 118 122.792 122.792 121.117 1.674 19774 241 1 . 1 1 118 118 LEU HA H 118 4.282 4.282 4.090 0.192 19774 242 1 . 1 1 118 118 LEU C C 118 177.998 177.998 178.755 -0.757 19774 243 1 . 1 1 118 118 LEU CA C 118 56.141 56.141 57.347 -1.206 19774 244 1 . 1 1 118 118 LEU CB C 118 42.074 42.074 41.724 0.350 19774 245 1 . 1 1 118 118 LEU H H 118 7.984 7.984 7.826 0.158 19774 246 1 . 1 1 119 119 ASN N N 119 118.030 118.030 116.697 1.333 19774 247 1 . 1 1 119 119 ASN HA H 119 4.703 4.703 4.575 0.128 19774 248 1 . 1 1 119 119 ASN C C 119 175.640 175.640 176.686 -1.046 19774 249 1 . 1 1 119 119 ASN CA C 119 53.761 53.761 55.152 -1.391 19774 250 1 . 1 1 119 119 ASN CB C 119 38.823 38.823 38.702 0.122 19774 251 1 . 1 1 119 119 ASN H H 119 8.199 8.199 8.121 0.078 19774 252 1 . 1 1 120 120 SER N N 120 115.677 115.677 114.162 1.515 19774 253 1 . 1 1 120 120 SER HA H 120 4.473 4.473 4.457 0.016 19774 254 1 . 1 1 120 120 SER CA C 120 58.803 58.803 58.870 -0.067 19774 255 1 . 1 1 120 120 SER CB C 120 63.708 63.708 63.677 0.031 19774 256 1 . 1 1 120 120 SER H H 120 8.200 8.200 7.880 0.321 19774 257 1 . 1 1 123 123 PRO C C 123 177.186 177.186 176.467 0.719 19774 258 1 . 1 1 123 123 PRO CA C 123 63.358 63.358 62.817 0.541 19774 259 1 . 1 1 123 123 PRO CB C 123 32.163 32.163 32.212 -0.049 19774 260 1 . 1 1 124 124 SER N N 124 116.200 116.200 117.950 -1.750 19774 261 1 . 1 1 124 124 SER HA H 124 4.990 4.990 4.335 0.655 19774 262 1 . 1 1 124 124 SER C C 124 174.548 174.548 174.628 -0.080 19774 263 1 . 1 1 124 124 SER CA C 124 58.600 58.600 58.314 0.285 19774 264 1 . 1 1 124 124 SER CB C 124 63.727 63.727 63.940 -0.213 19774 265 1 . 1 1 124 124 SER H H 124 8.596 8.596 8.244 0.352 19774 266 1 . 1 1 125 125 ASP N N 125 122.649 122.649 124.018 -1.369 19774 267 1 . 1 1 125 125 ASP HA H 125 4.608 4.608 4.615 -0.007 19774 268 1 . 1 1 125 125 ASP C C 125 176.378 176.378 177.233 -0.855 19774 269 1 . 1 1 125 125 ASP CA C 125 54.247 54.247 54.561 -0.314 19774 270 1 . 1 1 125 125 ASP CB C 125 41.080 41.080 41.616 -0.536 19774 271 1 . 1 1 125 125 ASP H H 125 8.427 8.427 8.522 -0.095 19774 272 1 . 1 1 126 126 ALA N N 126 124.975 124.975 126.876 -1.901 19774 273 1 . 1 1 126 126 ALA HA H 126 4.303 4.303 4.102 0.201 19774 274 1 . 1 1 126 126 ALA C C 126 178.138 178.138 178.194 -0.056 19774 275 1 . 1 1 126 126 ALA CA C 126 53.067 53.067 54.302 -1.235 19774 276 1 . 1 1 126 126 ALA CB C 126 18.919 18.919 18.883 0.036 19774 277 1 . 1 1 126 126 ALA H H 126 8.401 8.401 8.555 -0.154 19774 278 1 . 1 1 127 127 SER N N 127 114.892 114.892 113.658 1.234 19774 279 1 . 1 1 127 127 SER HA H 127 4.380 4.380 4.348 0.032 19774 280 1 . 1 1 127 127 SER C C 127 174.582 174.582 174.871 -0.289 19774 281 1 . 1 1 127 127 SER CA C 127 58.826 58.826 58.757 0.069 19774 282 1 . 1 1 127 127 SER CB C 127 63.662 63.662 63.351 0.311 19774 283 1 . 1 1 127 127 SER H H 127 8.403 8.403 8.048 0.355 19774 284 1 . 1 1 128 128 ALA N N 128 125.815 125.815 121.655 4.160 19774 285 1 . 1 1 128 128 ALA HA H 128 4.389 4.389 4.057 0.332 19774 286 1 . 1 1 128 128 ALA C C 128 177.957 177.957 176.688 1.269 19774 287 1 . 1 1 128 128 ALA CA C 128 52.712 52.712 53.268 -0.556 19774 288 1 . 1 1 128 128 ALA CB C 128 19.244 19.244 17.219 2.025 19774 289 1 . 1 1 128 128 ALA H H 128 8.266 8.266 7.726 0.540 19774 290 1 . 1 1 129 129 THR N N 129 113.766 113.766 113.128 0.638 19774 291 1 . 1 1 129 129 THR HA H 129 4.310 4.310 4.301 0.008 19774 292 1 . 1 1 129 129 THR C C 129 174.414 174.414 174.145 0.269 19774 293 1 . 1 1 129 129 THR CA C 129 62.010 62.010 61.672 0.338 19774 294 1 . 1 1 129 129 THR CB C 129 69.748 69.748 69.635 0.113 19774 295 1 . 1 1 129 129 THR H H 129 8.200 8.200 7.748 0.452 19774 296 1 . 1 1 130 130 ARG N N 130 124.611 124.611 124.268 0.343 19774 297 1 . 1 1 130 130 ARG HA H 130 4.450 4.450 4.437 0.013 19774 298 1 . 1 1 130 130 ARG C C 130 175.443 175.443 175.953 -0.510 19774 299 1 . 1 1 130 130 ARG CA C 130 55.979 55.979 55.996 -0.017 19774 300 1 . 1 1 130 130 ARG CB C 130 30.903 30.903 30.868 0.035 19774 301 1 . 1 1 130 130 ARG H H 130 8.457 8.457 8.512 -0.055 19774 stop_ save_