data_25731 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25731 _Entry.PDB_ID 2N5T 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 25731 _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 4 4 GLY N N 4 109.068 109.068 111.164 -2.096 25731 2 1 1 . 1 1 4 4 GLY H H 4 8.608 8.608 8.259 0.349 25731 3 1 1 . 1 1 5 5 ILE N N 5 131.711 131.711 120.610 11.101 25731 4 1 1 . 1 1 5 5 ILE H H 5 9.573 9.573 8.416 1.157 25731 5 1 1 . 1 1 7 7 ALA N N 7 130.884 130.884 126.044 4.840 25731 6 1 1 . 1 1 7 7 ALA H H 7 7.841 7.841 8.531 -0.690 25731 7 1 1 . 1 1 8 8 SER N N 8 111.971 111.971 112.718 -0.747 25731 8 1 1 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 9 1 1 . 1 1 10 10 GLY N N 10 104.297 104.297 109.417 -5.120 25731 10 1 1 . 1 1 10 10 GLY H H 10 6.261 6.261 7.918 -1.657 25731 11 1 1 . 1 1 14 14 GLY N N 14 108.348 108.348 110.407 -2.059 25731 12 1 1 . 1 1 14 14 GLY H H 14 8.294 8.294 8.028 0.266 25731 13 1 1 . 1 1 18 18 LEU N N 18 129.007 129.007 126.957 2.050 25731 14 1 1 . 1 1 18 18 LEU H H 18 8.839 8.839 8.463 0.376 25731 15 1 1 . 1 1 19 19 LEU N N 19 129.235 129.235 128.777 0.458 25731 16 1 1 . 1 1 19 19 LEU H H 19 8.982 8.982 8.259 0.723 25731 17 1 1 . 1 1 23 23 GLU N N 23 122.434 122.434 119.204 3.230 25731 18 1 1 . 1 1 23 23 GLU H H 23 8.471 8.471 8.458 0.013 25731 19 1 1 . 1 1 24 24 ILE N N 24 124.551 124.551 122.802 1.749 25731 20 1 1 . 1 1 24 24 ILE H H 24 8.459 8.459 8.380 0.079 25731 21 1 1 . 1 1 25 25 VAL N N 25 131.023 131.023 127.433 3.590 25731 22 1 1 . 1 1 25 25 VAL H H 25 8.087 8.087 8.240 -0.153 25731 23 1 1 . 1 1 26 26 ILE N N 26 126.563 126.563 126.645 -0.082 25731 24 1 1 . 1 1 26 26 ILE H H 26 7.994 7.994 8.337 -0.343 25731 25 1 1 . 1 1 27 27 ASP N N 27 128.838 128.838 127.718 1.120 25731 26 1 1 . 1 1 27 27 ASP H H 27 9.479 9.479 8.491 0.988 25731 27 1 1 . 1 1 28 28 ARG N N 28 124.609 124.609 123.769 0.840 25731 28 1 1 . 1 1 28 28 ARG H H 28 8.299 8.299 7.945 0.354 25731 29 1 1 . 1 1 29 29 LYS N N 29 123.043 123.043 121.078 1.965 25731 30 1 1 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 31 1 1 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 32 1 1 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 33 1 1 . 1 1 32 32 SER N N 32 114.432 114.432 116.750 -2.318 25731 34 1 1 . 1 1 32 32 SER H H 32 8.102 8.102 9.191 -1.089 25731 35 1 1 . 1 1 37 37 ASP N N 37 118.749 118.749 118.593 0.156 25731 36 1 1 . 1 1 37 37 ASP H H 37 8.539 8.539 7.950 0.589 25731 37 1 1 . 1 1 40 40 VAL N N 40 122.242 122.242 120.134 2.108 25731 38 1 1 . 1 1 40 40 VAL H H 40 8.817 8.817 8.050 0.767 25731 39 1 1 . 1 1 41 41 GLU N N 41 119.003 119.003 120.107 -1.104 25731 40 1 1 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 41 1 1 . 1 1 45 45 SER N N 45 116.937 116.937 115.163 1.774 25731 42 1 1 . 1 1 45 45 SER H H 45 9.073 9.073 8.829 0.244 25731 43 1 1 . 1 1 46 46 GLY N N 46 111.188 111.188 109.372 1.816 25731 44 1 1 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 45 1 1 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 46 1 1 . 1 1 47 47 ARG H H 47 8.755 8.755 8.490 0.265 25731 47 1 1 . 1 1 56 56 THR N N 56 116.925 116.925 115.810 1.115 25731 48 1 1 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 49 1 1 . 1 1 58 58 LYS N N 58 120.834 120.834 120.815 0.019 25731 50 1 1 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 51 1 1 . 1 1 68 68 GLU N N 68 120.644 120.644 120.543 0.101 25731 52 1 1 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 53 1 1 . 1 1 71 71 ALA N N 71 118.782 118.782 121.360 -2.578 25731 54 1 1 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 55 1 1 . 1 1 75 75 GLY N N 75 106.782 106.782 108.614 -1.832 25731 56 1 1 . 1 1 75 75 GLY H H 75 7.803 7.803 8.125 -0.322 25731 57 1 1 . 1 1 81 81 GLU N N 81 113.885 113.885 114.911 -1.026 25731 58 1 1 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 59 1 1 . 1 1 83 83 GLU N N 83 129.401 129.401 127.074 2.327 25731 60 1 1 . 1 1 83 83 GLU H H 83 9.055 9.055 8.954 0.101 25731 61 1 1 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 62 1 1 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 63 1 1 . 1 1 93 93 ILE N N 93 120.627 120.627 120.058 0.569 25731 64 1 1 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 65 1 1 . 1 1 94 94 LYS N N 94 115.650 115.650 118.424 -2.774 25731 66 1 1 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 67 1 1 . 1 1 96 96 LYS N N 96 115.886 115.886 116.401 -0.515 25731 68 1 1 . 1 1 96 96 LYS H H 96 7.154 7.154 8.064 -0.910 25731 69 1 1 . 1 1 100 100 ALA N N 100 121.819 121.819 124.427 -2.608 25731 70 1 1 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 71 1 1 . 1 1 101 101 ASP N N 101 109.661 109.661 117.288 -7.627 25731 72 1 1 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 73 1 1 . 1 1 104 104 ALA N N 104 118.118 118.118 120.871 -2.753 25731 74 1 1 . 1 1 104 104 ALA H H 104 8.328 8.328 8.161 0.167 25731 75 1 1 . 1 1 110 110 GLY N N 110 108.385 108.385 107.923 0.462 25731 76 1 1 . 1 1 110 110 GLY H H 110 7.984 7.984 8.508 -0.524 25731 77 1 1 . 1 1 113 113 SER N N 113 112.590 112.590 114.936 -2.346 25731 78 1 1 . 1 1 113 113 SER H H 113 8.406 8.406 8.571 -0.165 25731 79 1 1 . 1 1 115 115 LEU N N 115 118.313 118.313 118.535 -0.222 25731 80 1 1 . 1 1 115 115 LEU H H 115 7.467 7.467 7.907 -0.440 25731 81 1 1 . 1 1 116 116 GLU N N 116 116.378 116.378 120.073 -3.695 25731 82 1 1 . 1 1 116 116 GLU H H 116 7.756 7.756 8.038 -0.282 25731 83 1 1 . 1 1 117 117 GLU N N 117 117.307 117.307 116.665 0.642 25731 84 1 1 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 85 1 1 . 1 1 118 118 LEU N N 118 119.474 119.474 121.650 -2.176 25731 86 1 1 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 87 1 1 . 1 1 122 122 TYR N N 122 119.867 119.867 120.490 -0.623 25731 88 1 1 . 1 1 122 122 TYR H H 122 8.258 8.258 8.539 -0.281 25731 89 1 1 . 1 1 134 134 GLY N N 134 109.570 109.570 106.462 3.108 25731 90 1 1 . 1 1 134 134 GLY H H 134 8.746 8.746 7.625 1.121 25731 91 1 1 . 1 1 138 138 LEU N N 138 119.451 119.451 118.540 0.911 25731 92 1 1 . 1 1 138 138 LEU H H 138 8.921 8.921 7.727 1.194 25731 93 1 1 . 1 1 143 143 GLY N N 143 109.192 109.192 104.916 4.276 25731 94 1 1 . 1 1 143 143 GLY H H 143 7.673 7.673 8.307 -0.634 25731 95 1 1 . 1 1 146 146 ILE N N 146 126.426 126.426 123.060 3.366 25731 96 1 1 . 1 1 146 146 ILE H H 146 8.295 8.295 8.460 -0.165 25731 97 1 1 . 1 1 148 148 ASP N N 148 126.756 126.756 127.043 -0.287 25731 98 1 1 . 1 1 148 148 ASP H H 148 8.369 8.369 8.368 0.001 25731 99 1 1 . 1 1 151 151 ALA N N 151 125.461 125.461 124.378 1.083 25731 100 1 1 . 1 1 151 151 ALA H H 151 7.407 7.407 7.452 -0.045 25731 101 1 1 . 1 1 152 152 ILE N N 152 119.784 119.784 119.159 0.625 25731 102 1 1 . 1 1 152 152 ILE H H 152 6.746 6.746 7.703 -0.957 25731 103 1 1 . 1 1 158 158 LEU N N 158 127.511 127.511 127.403 0.108 25731 104 1 1 . 1 1 158 158 LEU H H 158 8.058 8.058 8.069 -0.011 25731 105 1 1 . 1 1 161 161 ALA N N 161 125.207 125.207 121.700 3.507 25731 106 1 1 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 107 1 1 . 1 1 162 162 ASP N N 162 110.996 110.996 113.743 -2.747 25731 108 1 1 . 1 1 162 162 ASP H H 162 7.475 7.475 7.885 -0.410 25731 109 1 1 . 1 1 181 181 THR N N 181 111.899 111.899 120.530 -8.631 25731 110 1 1 . 1 1 181 181 THR H H 181 8.354 8.354 8.469 -0.115 25731 111 1 1 . 1 1 206 206 GLY N N 206 117.211 117.211 107.917 9.294 25731 112 1 1 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 113 1 1 . 1 1 207 207 SER N N 207 112.839 112.839 112.472 0.367 25731 114 1 1 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 115 1 1 . 1 1 208 208 VAL N N 208 128.351 128.351 121.100 7.251 25731 116 1 1 . 1 1 208 208 VAL H H 208 7.799 7.799 8.010 -0.211 25731 117 1 1 . 1 1 209 209 THR N N 209 113.459 113.459 114.589 -1.130 25731 118 1 1 . 1 1 209 209 THR H H 209 9.742 9.742 8.094 1.648 25731 119 1 1 . 1 1 210 210 SER N N 210 114.577 114.577 112.901 1.676 25731 120 1 1 . 1 1 210 210 SER H H 210 7.630 7.630 8.438 -0.808 25731 121 1 1 . 1 1 212 212 VAL N N 212 119.189 119.189 120.214 -1.025 25731 122 1 1 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 123 1 1 . 1 1 213 213 LYS N N 213 124.796 124.796 124.317 0.479 25731 124 1 1 . 1 1 213 213 LYS H H 213 8.871 8.871 9.618 -0.747 25731 125 1 1 . 1 1 214 214 ASN N N 214 118.397 118.397 120.336 -1.939 25731 126 1 1 . 1 1 214 214 ASN H H 214 8.508 8.508 8.392 0.116 25731 127 1 1 . 1 1 220 220 LEU N N 220 130.815 130.815 128.883 1.932 25731 128 1 1 . 1 1 220 220 LEU H H 220 9.089 9.089 8.351 0.738 25731 129 1 1 . 1 1 222 222 ALA N N 222 128.761 128.761 120.190 8.571 25731 130 1 1 . 1 1 222 222 ALA H H 222 8.440 8.440 8.550 -0.110 25731 131 1 1 . 1 1 229 229 VAL N N 229 123.649 123.649 125.087 -1.438 25731 132 1 1 . 1 1 229 229 VAL H H 229 8.483 8.483 8.635 -0.152 25731 133 1 1 . 1 1 230 230 ASN N N 230 124.668 124.668 125.800 -1.132 25731 134 1 1 . 1 1 230 230 ASN H H 230 10.129 10.129 8.530 1.599 25731 135 1 1 . 1 1 232 232 THR N N 232 109.569 109.569 115.624 -6.055 25731 136 1 1 . 1 1 232 232 THR H H 232 7.786 7.786 8.075 -0.289 25731 137 1 1 . 1 1 283 283 GLY N N 283 107.398 107.398 107.160 0.238 25731 138 1 1 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 139 1 1 . 1 1 288 288 GLY N N 288 106.551 106.551 107.050 -0.499 25731 140 1 1 . 1 1 288 288 GLY H H 288 7.774 7.774 7.495 0.279 25731 141 1 1 . 1 1 291 291 GLY N N 291 106.112 106.112 104.175 1.937 25731 142 1 1 . 1 1 291 291 GLY H H 291 7.360 7.360 7.380 -0.020 25731 143 1 1 . 1 1 330 330 ILE N N 330 125.891 125.891 128.542 -2.651 25731 144 1 1 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 145 1 1 . 1 1 331 331 VAL N N 331 130.011 130.011 128.107 1.904 25731 146 1 1 . 1 1 331 331 VAL H H 331 8.978 8.978 8.900 0.078 25731 147 1 1 . 1 1 332 332 ARG N N 332 128.386 128.386 128.591 -0.205 25731 148 1 1 . 1 1 332 332 ARG H H 332 7.923 7.923 8.450 -0.527 25731 149 1 1 . 1 1 368 368 GLU N N 368 120.295 120.295 118.290 2.005 25731 150 1 1 . 1 1 368 368 GLU H H 368 9.831 9.831 8.788 1.043 25731 151 1 1 . 1 1 370 370 LEU N N 370 121.704 121.704 121.811 -0.107 25731 152 1 1 . 1 1 370 370 LEU H H 370 6.739 6.739 7.599 -0.860 25731 153 1 1 . 1 1 373 373 GLN N N 373 115.819 115.819 120.584 -4.765 25731 154 1 1 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 155 1 1 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 156 1 1 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.016 25731 157 1 1 . 1 1 386 386 LEU N N 386 126.834 126.834 126.986 -0.152 25731 158 1 1 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 159 1 1 . 1 1 399 399 VAL N N 399 117.218 117.218 119.104 -1.886 25731 160 1 1 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 161 1 1 . 1 1 419 419 ALA N N 419 125.187 125.187 127.529 -2.342 25731 162 1 1 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 163 1 1 . 1 1 420 420 PHE N N 420 110.844 110.844 115.935 -5.091 25731 164 1 1 . 1 1 420 420 PHE H H 420 7.151 7.151 7.544 -0.393 25731 165 1 1 . 1 1 422 422 GLU N N 422 127.390 127.390 125.667 1.723 25731 166 1 1 . 1 1 422 422 GLU H H 422 8.442 8.442 8.633 -0.191 25731 167 1 1 . 1 1 423 423 SER N N 423 115.144 115.144 114.506 0.638 25731 168 1 1 . 1 1 423 423 SER H H 423 8.591 8.591 7.983 0.608 25731 169 1 1 . 1 1 425 425 GLU N N 425 128.863 128.863 128.462 0.401 25731 170 1 1 . 1 1 425 425 GLU H H 425 8.779 8.779 8.700 0.079 25731 171 1 1 . 1 1 426 426 ILE N N 426 122.399 122.399 121.519 0.880 25731 172 1 1 . 1 1 426 426 ILE H H 426 9.634 9.634 8.182 1.452 25731 173 1 1 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 174 1 1 . 1 1 427 427 GLY H H 427 9.038 9.038 8.514 0.524 25731 175 1 1 . 1 1 475 475 GLN N N 475 126.671 126.671 127.070 -0.399 25731 176 1 1 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 177 1 1 . 1 1 481 481 VAL N N 481 123.573 123.573 122.758 0.815 25731 178 1 1 . 1 1 481 481 VAL H H 481 6.827 6.827 7.321 -0.494 25731 179 1 1 . 1 1 496 496 GLY N N 496 108.132 108.132 107.312 0.820 25731 180 1 1 . 1 1 496 496 GLY H H 496 7.913 7.913 7.861 0.052 25731 181 1 1 . 1 1 498 498 TRP N N 498 114.239 114.239 116.788 -2.549 25731 182 1 1 . 1 1 498 498 TRP H H 498 6.657 6.657 7.791 -1.134 25731 183 1 1 . 1 1 499 499 THR N N 499 115.578 115.578 117.616 -2.038 25731 184 1 1 . 1 1 499 499 THR H H 499 9.872 9.872 9.487 0.385 25731 185 1 1 . 1 1 557 557 THR N N 557 132.226 132.226 114.824 17.402 25731 186 1 1 . 1 1 557 557 THR H H 557 6.536 6.536 7.387 -0.851 25731 187 1 1 . 1 1 558 558 THR N N 558 121.278 121.278 120.779 0.499 25731 188 1 1 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 189 1 1 . 1 1 559 559 ASP N N 559 121.304 121.304 121.125 0.179 25731 190 1 1 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.604 25731 191 1 2 . 1 1 4 4 GLY N N 4 109.068 109.068 111.158 -2.090 25731 192 1 2 . 1 1 4 4 GLY H H 4 8.608 8.608 8.257 0.351 25731 193 1 2 . 1 1 5 5 ILE N N 5 131.711 131.711 120.613 11.098 25731 194 1 2 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 195 1 2 . 1 1 7 7 ALA N N 7 130.884 130.884 126.046 4.838 25731 196 1 2 . 1 1 7 7 ALA H H 7 7.841 7.841 8.529 -0.688 25731 197 1 2 . 1 1 8 8 SER N N 8 111.971 111.971 112.710 -0.739 25731 198 1 2 . 1 1 8 8 SER H H 8 7.715 7.715 7.572 0.143 25731 199 1 2 . 1 1 10 10 GLY N N 10 104.297 104.297 109.451 -5.154 25731 200 1 2 . 1 1 10 10 GLY H H 10 6.261 6.261 7.923 -1.662 25731 201 1 2 . 1 1 14 14 GLY N N 14 108.348 108.348 110.950 -2.602 25731 202 1 2 . 1 1 14 14 GLY H H 14 8.294 8.294 8.062 0.232 25731 203 1 2 . 1 1 18 18 LEU N N 18 129.007 129.007 126.959 2.048 25731 204 1 2 . 1 1 18 18 LEU H H 18 8.839 8.839 8.462 0.377 25731 205 1 2 . 1 1 19 19 LEU N N 19 129.235 129.235 128.782 0.453 25731 206 1 2 . 1 1 19 19 LEU H H 19 8.982 8.982 8.256 0.726 25731 207 1 2 . 1 1 23 23 GLU N N 23 122.434 122.434 119.215 3.219 25731 208 1 2 . 1 1 23 23 GLU H H 23 8.471 8.471 8.458 0.013 25731 209 1 2 . 1 1 24 24 ILE N N 24 124.551 124.551 122.957 1.594 25731 210 1 2 . 1 1 24 24 ILE H H 24 8.459 8.459 8.386 0.073 25731 211 1 2 . 1 1 25 25 VAL N N 25 131.023 131.023 127.539 3.484 25731 212 1 2 . 1 1 25 25 VAL H H 25 8.087 8.087 8.245 -0.158 25731 213 1 2 . 1 1 26 26 ILE N N 26 126.563 126.563 126.653 -0.090 25731 214 1 2 . 1 1 26 26 ILE H H 26 7.994 7.994 8.337 -0.343 25731 215 1 2 . 1 1 27 27 ASP N N 27 128.838 128.838 127.711 1.127 25731 216 1 2 . 1 1 27 27 ASP H H 27 9.479 9.479 8.489 0.990 25731 217 1 2 . 1 1 28 28 ARG N N 28 124.609 124.609 123.763 0.846 25731 218 1 2 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 219 1 2 . 1 1 29 29 LYS N N 29 123.043 123.043 121.077 1.966 25731 220 1 2 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 221 1 2 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 222 1 2 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 223 1 2 . 1 1 32 32 SER N N 32 114.432 114.432 116.741 -2.309 25731 224 1 2 . 1 1 32 32 SER H H 32 8.102 8.102 9.191 -1.089 25731 225 1 2 . 1 1 37 37 ASP N N 37 118.749 118.749 118.595 0.154 25731 226 1 2 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 227 1 2 . 1 1 40 40 VAL N N 40 122.242 122.242 120.138 2.104 25731 228 1 2 . 1 1 40 40 VAL H H 40 8.817 8.817 8.049 0.768 25731 229 1 2 . 1 1 41 41 GLU N N 41 119.003 119.003 120.106 -1.103 25731 230 1 2 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 231 1 2 . 1 1 45 45 SER N N 45 116.937 116.937 115.162 1.775 25731 232 1 2 . 1 1 45 45 SER H H 45 9.073 9.073 8.828 0.245 25731 233 1 2 . 1 1 46 46 GLY N N 46 111.188 111.188 109.377 1.811 25731 234 1 2 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 235 1 2 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 236 1 2 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 237 1 2 . 1 1 56 56 THR N N 56 116.925 116.925 115.809 1.116 25731 238 1 2 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 239 1 2 . 1 1 58 58 LYS N N 58 120.834 120.834 120.814 0.020 25731 240 1 2 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 241 1 2 . 1 1 68 68 GLU N N 68 120.644 120.644 120.552 0.092 25731 242 1 2 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 243 1 2 . 1 1 71 71 ALA N N 71 118.782 118.782 121.356 -2.574 25731 244 1 2 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 245 1 2 . 1 1 75 75 GLY N N 75 106.782 106.782 108.613 -1.831 25731 246 1 2 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 247 1 2 . 1 1 81 81 GLU N N 81 113.885 113.885 114.908 -1.023 25731 248 1 2 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 249 1 2 . 1 1 83 83 GLU N N 83 129.401 129.401 127.082 2.319 25731 250 1 2 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 251 1 2 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 252 1 2 . 1 1 92 92 LEU H H 92 7.422 7.422 7.588 -0.166 25731 253 1 2 . 1 1 93 93 ILE N N 93 120.627 120.627 120.058 0.569 25731 254 1 2 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 255 1 2 . 1 1 94 94 LYS N N 94 115.650 115.650 118.421 -2.771 25731 256 1 2 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 257 1 2 . 1 1 96 96 LYS N N 96 115.886 115.886 116.399 -0.513 25731 258 1 2 . 1 1 96 96 LYS H H 96 7.154 7.154 8.063 -0.909 25731 259 1 2 . 1 1 100 100 ALA N N 100 121.819 121.819 124.436 -2.617 25731 260 1 2 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 261 1 2 . 1 1 101 101 ASP N N 101 109.661 109.661 117.288 -7.627 25731 262 1 2 . 1 1 101 101 ASP H H 101 9.437 9.437 8.742 0.695 25731 263 1 2 . 1 1 104 104 ALA N N 104 118.118 118.118 120.871 -2.753 25731 264 1 2 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 265 1 2 . 1 1 110 110 GLY N N 110 108.385 108.385 107.918 0.467 25731 266 1 2 . 1 1 110 110 GLY H H 110 7.984 7.984 8.500 -0.516 25731 267 1 2 . 1 1 113 113 SER N N 113 112.590 112.590 114.933 -2.343 25731 268 1 2 . 1 1 113 113 SER H H 113 8.406 8.406 8.567 -0.161 25731 269 1 2 . 1 1 115 115 LEU N N 115 118.313 118.313 118.532 -0.219 25731 270 1 2 . 1 1 115 115 LEU H H 115 7.467 7.467 7.906 -0.439 25731 271 1 2 . 1 1 116 116 GLU N N 116 116.378 116.378 120.072 -3.694 25731 272 1 2 . 1 1 116 116 GLU H H 116 7.756 7.756 8.038 -0.282 25731 273 1 2 . 1 1 117 117 GLU N N 117 117.307 117.307 116.665 0.642 25731 274 1 2 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 275 1 2 . 1 1 118 118 LEU N N 118 119.474 119.474 121.646 -2.172 25731 276 1 2 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 277 1 2 . 1 1 122 122 TYR N N 122 119.867 119.867 120.488 -0.621 25731 278 1 2 . 1 1 122 122 TYR H H 122 8.258 8.258 8.538 -0.280 25731 279 1 2 . 1 1 134 134 GLY N N 134 109.570 109.570 106.463 3.107 25731 280 1 2 . 1 1 134 134 GLY H H 134 8.746 8.746 7.628 1.118 25731 281 1 2 . 1 1 138 138 LEU N N 138 119.451 119.451 118.549 0.902 25731 282 1 2 . 1 1 138 138 LEU H H 138 8.921 8.921 7.732 1.189 25731 283 1 2 . 1 1 143 143 GLY N N 143 109.192 109.192 105.240 3.952 25731 284 1 2 . 1 1 143 143 GLY H H 143 7.673 7.673 8.184 -0.511 25731 285 1 2 . 1 1 146 146 ILE N N 146 126.426 126.426 125.640 0.786 25731 286 1 2 . 1 1 146 146 ILE H H 146 8.295 8.295 8.730 -0.435 25731 287 1 2 . 1 1 148 148 ASP N N 148 126.756 126.756 127.080 -0.324 25731 288 1 2 . 1 1 148 148 ASP H H 148 8.369 8.369 8.486 -0.117 25731 289 1 2 . 1 1 151 151 ALA N N 151 125.461 125.461 124.390 1.071 25731 290 1 2 . 1 1 151 151 ALA H H 151 7.407 7.407 7.457 -0.050 25731 291 1 2 . 1 1 152 152 ILE N N 152 119.784 119.784 119.221 0.563 25731 292 1 2 . 1 1 152 152 ILE H H 152 6.746 6.746 7.690 -0.944 25731 293 1 2 . 1 1 158 158 LEU N N 158 127.511 127.511 127.402 0.109 25731 294 1 2 . 1 1 158 158 LEU H H 158 8.058 8.058 8.067 -0.009 25731 295 1 2 . 1 1 161 161 ALA N N 161 125.207 125.207 121.700 3.507 25731 296 1 2 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 297 1 2 . 1 1 162 162 ASP N N 162 110.996 110.996 113.753 -2.757 25731 298 1 2 . 1 1 162 162 ASP H H 162 7.475 7.475 7.885 -0.410 25731 299 1 2 . 1 1 181 181 THR N N 181 111.899 111.899 120.529 -8.630 25731 300 1 2 . 1 1 181 181 THR H H 181 8.354 8.354 8.467 -0.113 25731 301 1 2 . 1 1 206 206 GLY N N 206 117.211 117.211 107.921 9.290 25731 302 1 2 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 303 1 2 . 1 1 207 207 SER N N 207 112.839 112.839 112.462 0.377 25731 304 1 2 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 305 1 2 . 1 1 208 208 VAL N N 208 128.351 128.351 121.096 7.255 25731 306 1 2 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 307 1 2 . 1 1 209 209 THR N N 209 113.459 113.459 114.590 -1.131 25731 308 1 2 . 1 1 209 209 THR H H 209 9.742 9.742 8.094 1.648 25731 309 1 2 . 1 1 210 210 SER N N 210 114.577 114.577 112.898 1.679 25731 310 1 2 . 1 1 210 210 SER H H 210 7.630 7.630 8.438 -0.808 25731 311 1 2 . 1 1 212 212 VAL N N 212 119.189 119.189 120.211 -1.022 25731 312 1 2 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 313 1 2 . 1 1 213 213 LYS N N 213 124.796 124.796 124.312 0.484 25731 314 1 2 . 1 1 213 213 LYS H H 213 8.871 8.871 9.620 -0.749 25731 315 1 2 . 1 1 214 214 ASN N N 214 118.397 118.397 120.337 -1.940 25731 316 1 2 . 1 1 214 214 ASN H H 214 8.508 8.508 8.392 0.116 25731 317 1 2 . 1 1 220 220 LEU N N 220 130.815 130.815 128.923 1.892 25731 318 1 2 . 1 1 220 220 LEU H H 220 9.089 9.089 8.339 0.750 25731 319 1 2 . 1 1 222 222 ALA N N 222 128.761 128.761 120.183 8.578 25731 320 1 2 . 1 1 222 222 ALA H H 222 8.440 8.440 8.520 -0.080 25731 321 1 2 . 1 1 229 229 VAL N N 229 123.649 123.649 125.071 -1.422 25731 322 1 2 . 1 1 229 229 VAL H H 229 8.483 8.483 8.643 -0.160 25731 323 1 2 . 1 1 230 230 ASN N N 230 124.668 124.668 125.803 -1.135 25731 324 1 2 . 1 1 230 230 ASN H H 230 10.129 10.129 8.530 1.599 25731 325 1 2 . 1 1 232 232 THR N N 232 109.569 109.569 115.605 -6.036 25731 326 1 2 . 1 1 232 232 THR H H 232 7.786 7.786 8.067 -0.281 25731 327 1 2 . 1 1 283 283 GLY N N 283 107.398 107.398 107.159 0.239 25731 328 1 2 . 1 1 283 283 GLY H H 283 8.129 8.129 8.306 -0.177 25731 329 1 2 . 1 1 288 288 GLY N N 288 106.551 106.551 107.131 -0.580 25731 330 1 2 . 1 1 288 288 GLY H H 288 7.774 7.774 7.506 0.268 25731 331 1 2 . 1 1 291 291 GLY N N 291 106.112 106.112 104.648 1.464 25731 332 1 2 . 1 1 291 291 GLY H H 291 7.360 7.360 7.402 -0.042 25731 333 1 2 . 1 1 330 330 ILE N N 330 125.891 125.891 128.537 -2.646 25731 334 1 2 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 335 1 2 . 1 1 331 331 VAL N N 331 130.011 130.011 128.101 1.910 25731 336 1 2 . 1 1 331 331 VAL H H 331 8.978 8.978 8.900 0.078 25731 337 1 2 . 1 1 332 332 ARG N N 332 128.386 128.386 128.582 -0.196 25731 338 1 2 . 1 1 332 332 ARG H H 332 7.923 7.923 8.448 -0.525 25731 339 1 2 . 1 1 368 368 GLU N N 368 120.295 120.295 118.293 2.002 25731 340 1 2 . 1 1 368 368 GLU H H 368 9.831 9.831 8.788 1.043 25731 341 1 2 . 1 1 370 370 LEU N N 370 121.704 121.704 121.811 -0.107 25731 342 1 2 . 1 1 370 370 LEU H H 370 6.739 6.739 7.599 -0.860 25731 343 1 2 . 1 1 373 373 GLN N N 373 115.819 115.819 120.585 -4.766 25731 344 1 2 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 345 1 2 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 346 1 2 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.016 25731 347 1 2 . 1 1 386 386 LEU N N 386 126.834 126.834 126.986 -0.152 25731 348 1 2 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 349 1 2 . 1 1 399 399 VAL N N 399 117.218 117.218 119.104 -1.886 25731 350 1 2 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 351 1 2 . 1 1 419 419 ALA N N 419 125.187 125.187 127.527 -2.340 25731 352 1 2 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 353 1 2 . 1 1 420 420 PHE N N 420 110.844 110.844 115.935 -5.091 25731 354 1 2 . 1 1 420 420 PHE H H 420 7.151 7.151 7.542 -0.391 25731 355 1 2 . 1 1 422 422 GLU N N 422 127.390 127.390 125.668 1.722 25731 356 1 2 . 1 1 422 422 GLU H H 422 8.442 8.442 8.633 -0.191 25731 357 1 2 . 1 1 423 423 SER N N 423 115.144 115.144 114.508 0.636 25731 358 1 2 . 1 1 423 423 SER H H 423 8.591 8.591 7.983 0.608 25731 359 1 2 . 1 1 425 425 GLU N N 425 128.863 128.863 128.462 0.401 25731 360 1 2 . 1 1 425 425 GLU H H 425 8.779 8.779 8.700 0.079 25731 361 1 2 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 362 1 2 . 1 1 426 426 ILE H H 426 9.634 9.634 8.182 1.452 25731 363 1 2 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 364 1 2 . 1 1 427 427 GLY H H 427 9.038 9.038 8.514 0.524 25731 365 1 2 . 1 1 475 475 GLN N N 475 126.671 126.671 127.071 -0.400 25731 366 1 2 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 367 1 2 . 1 1 481 481 VAL N N 481 123.573 123.573 122.718 0.855 25731 368 1 2 . 1 1 481 481 VAL H H 481 6.827 6.827 7.319 -0.492 25731 369 1 2 . 1 1 496 496 GLY N N 496 108.132 108.132 107.314 0.818 25731 370 1 2 . 1 1 496 496 GLY H H 496 7.913 7.913 7.862 0.051 25731 371 1 2 . 1 1 498 498 TRP N N 498 114.239 114.239 116.791 -2.552 25731 372 1 2 . 1 1 498 498 TRP H H 498 6.657 6.657 7.793 -1.136 25731 373 1 2 . 1 1 499 499 THR N N 499 115.578 115.578 117.619 -2.041 25731 374 1 2 . 1 1 499 499 THR H H 499 9.872 9.872 9.487 0.385 25731 375 1 2 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 376 1 2 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 377 1 2 . 1 1 558 558 THR N N 558 121.278 121.278 120.784 0.494 25731 378 1 2 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 379 1 2 . 1 1 559 559 ASP N N 559 121.304 121.304 121.127 0.177 25731 380 1 2 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.605 25731 381 1 3 . 1 1 4 4 GLY N N 4 109.068 109.068 111.167 -2.099 25731 382 1 3 . 1 1 4 4 GLY H H 4 8.608 8.608 8.259 0.349 25731 383 1 3 . 1 1 5 5 ILE N N 5 131.711 131.711 120.611 11.100 25731 384 1 3 . 1 1 5 5 ILE H H 5 9.573 9.573 8.416 1.157 25731 385 1 3 . 1 1 7 7 ALA N N 7 130.884 130.884 126.046 4.838 25731 386 1 3 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 387 1 3 . 1 1 8 8 SER N N 8 111.971 111.971 112.727 -0.756 25731 388 1 3 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 389 1 3 . 1 1 10 10 GLY N N 10 104.297 104.297 109.411 -5.114 25731 390 1 3 . 1 1 10 10 GLY H H 10 6.261 6.261 7.916 -1.655 25731 391 1 3 . 1 1 14 14 GLY N N 14 108.348 108.348 110.401 -2.053 25731 392 1 3 . 1 1 14 14 GLY H H 14 8.294 8.294 8.024 0.270 25731 393 1 3 . 1 1 18 18 LEU N N 18 129.007 129.007 126.961 2.046 25731 394 1 3 . 1 1 18 18 LEU H H 18 8.839 8.839 8.463 0.376 25731 395 1 3 . 1 1 19 19 LEU N N 19 129.235 129.235 128.781 0.454 25731 396 1 3 . 1 1 19 19 LEU H H 19 8.982 8.982 8.257 0.725 25731 397 1 3 . 1 1 23 23 GLU N N 23 122.434 122.434 119.141 3.293 25731 398 1 3 . 1 1 23 23 GLU H H 23 8.471 8.471 8.454 0.017 25731 399 1 3 . 1 1 24 24 ILE N N 24 124.551 124.551 122.931 1.620 25731 400 1 3 . 1 1 24 24 ILE H H 24 8.459 8.459 8.377 0.082 25731 401 1 3 . 1 1 25 25 VAL N N 25 131.023 131.023 127.448 3.575 25731 402 1 3 . 1 1 25 25 VAL H H 25 8.087 8.087 8.225 -0.138 25731 403 1 3 . 1 1 26 26 ILE N N 26 126.563 126.563 126.650 -0.087 25731 404 1 3 . 1 1 26 26 ILE H H 26 7.994 7.994 8.336 -0.342 25731 405 1 3 . 1 1 27 27 ASP N N 27 128.838 128.838 127.710 1.128 25731 406 1 3 . 1 1 27 27 ASP H H 27 9.479 9.479 8.489 0.990 25731 407 1 3 . 1 1 28 28 ARG N N 28 124.609 124.609 123.768 0.841 25731 408 1 3 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 409 1 3 . 1 1 29 29 LYS N N 29 123.043 123.043 121.077 1.966 25731 410 1 3 . 1 1 29 29 LYS H H 29 8.152 8.152 7.604 0.548 25731 411 1 3 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 412 1 3 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 413 1 3 . 1 1 32 32 SER N N 32 114.432 114.432 116.747 -2.315 25731 414 1 3 . 1 1 32 32 SER H H 32 8.102 8.102 9.192 -1.090 25731 415 1 3 . 1 1 37 37 ASP N N 37 118.749 118.749 118.599 0.150 25731 416 1 3 . 1 1 37 37 ASP H H 37 8.539 8.539 7.948 0.591 25731 417 1 3 . 1 1 40 40 VAL N N 40 122.242 122.242 120.135 2.107 25731 418 1 3 . 1 1 40 40 VAL H H 40 8.817 8.817 8.049 0.768 25731 419 1 3 . 1 1 41 41 GLU N N 41 119.003 119.003 120.111 -1.108 25731 420 1 3 . 1 1 41 41 GLU H H 41 7.910 7.910 7.926 -0.016 25731 421 1 3 . 1 1 45 45 SER N N 45 116.937 116.937 115.166 1.771 25731 422 1 3 . 1 1 45 45 SER H H 45 9.073 9.073 8.828 0.245 25731 423 1 3 . 1 1 46 46 GLY N N 46 111.188 111.188 109.370 1.818 25731 424 1 3 . 1 1 46 46 GLY H H 46 7.990 7.990 8.647 -0.657 25731 425 1 3 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 426 1 3 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 427 1 3 . 1 1 56 56 THR N N 56 116.925 116.925 115.809 1.116 25731 428 1 3 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 429 1 3 . 1 1 58 58 LYS N N 58 120.834 120.834 120.816 0.018 25731 430 1 3 . 1 1 58 58 LYS H H 58 8.611 8.611 7.480 1.131 25731 431 1 3 . 1 1 68 68 GLU N N 68 120.644 120.644 120.545 0.099 25731 432 1 3 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 433 1 3 . 1 1 71 71 ALA N N 71 118.782 118.782 121.361 -2.579 25731 434 1 3 . 1 1 71 71 ALA H H 71 7.660 7.660 7.637 0.023 25731 435 1 3 . 1 1 75 75 GLY N N 75 106.782 106.782 108.614 -1.832 25731 436 1 3 . 1 1 75 75 GLY H H 75 7.803 7.803 8.125 -0.322 25731 437 1 3 . 1 1 81 81 GLU N N 81 113.885 113.885 114.915 -1.030 25731 438 1 3 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 439 1 3 . 1 1 83 83 GLU N N 83 129.401 129.401 127.073 2.328 25731 440 1 3 . 1 1 83 83 GLU H H 83 9.055 9.055 8.954 0.101 25731 441 1 3 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 442 1 3 . 1 1 92 92 LEU H H 92 7.422 7.422 7.588 -0.166 25731 443 1 3 . 1 1 93 93 ILE N N 93 120.627 120.627 120.054 0.573 25731 444 1 3 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 445 1 3 . 1 1 94 94 LYS N N 94 115.650 115.650 118.428 -2.778 25731 446 1 3 . 1 1 94 94 LYS H H 94 8.498 8.498 8.220 0.278 25731 447 1 3 . 1 1 96 96 LYS N N 96 115.886 115.886 116.399 -0.513 25731 448 1 3 . 1 1 96 96 LYS H H 96 7.154 7.154 8.065 -0.911 25731 449 1 3 . 1 1 100 100 ALA N N 100 121.819 121.819 124.434 -2.615 25731 450 1 3 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 451 1 3 . 1 1 101 101 ASP N N 101 109.661 109.661 117.285 -7.624 25731 452 1 3 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 453 1 3 . 1 1 104 104 ALA N N 104 118.118 118.118 120.870 -2.752 25731 454 1 3 . 1 1 104 104 ALA H H 104 8.328 8.328 8.159 0.169 25731 455 1 3 . 1 1 110 110 GLY N N 110 108.385 108.385 107.922 0.463 25731 456 1 3 . 1 1 110 110 GLY H H 110 7.984 7.984 8.495 -0.511 25731 457 1 3 . 1 1 113 113 SER N N 113 112.590 112.590 114.854 -2.264 25731 458 1 3 . 1 1 113 113 SER H H 113 8.406 8.406 8.480 -0.074 25731 459 1 3 . 1 1 115 115 LEU N N 115 118.313 118.313 118.532 -0.219 25731 460 1 3 . 1 1 115 115 LEU H H 115 7.467 7.467 7.905 -0.438 25731 461 1 3 . 1 1 116 116 GLU N N 116 116.378 116.378 120.073 -3.695 25731 462 1 3 . 1 1 116 116 GLU H H 116 7.756 7.756 8.037 -0.281 25731 463 1 3 . 1 1 117 117 GLU N N 117 117.307 117.307 116.666 0.641 25731 464 1 3 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 465 1 3 . 1 1 118 118 LEU N N 118 119.474 119.474 121.648 -2.174 25731 466 1 3 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 467 1 3 . 1 1 122 122 TYR N N 122 119.867 119.867 120.488 -0.621 25731 468 1 3 . 1 1 122 122 TYR H H 122 8.258 8.258 8.538 -0.280 25731 469 1 3 . 1 1 134 134 GLY N N 134 109.570 109.570 106.462 3.108 25731 470 1 3 . 1 1 134 134 GLY H H 134 8.746 8.746 7.631 1.115 25731 471 1 3 . 1 1 138 138 LEU N N 138 119.451 119.451 118.546 0.905 25731 472 1 3 . 1 1 138 138 LEU H H 138 8.921 8.921 7.734 1.187 25731 473 1 3 . 1 1 143 143 GLY N N 143 109.192 109.192 105.336 3.856 25731 474 1 3 . 1 1 143 143 GLY H H 143 7.673 7.673 8.184 -0.511 25731 475 1 3 . 1 1 146 146 ILE N N 146 126.426 126.426 125.355 1.071 25731 476 1 3 . 1 1 146 146 ILE H H 146 8.295 8.295 8.747 -0.452 25731 477 1 3 . 1 1 148 148 ASP N N 148 126.756 126.756 127.059 -0.303 25731 478 1 3 . 1 1 148 148 ASP H H 148 8.369 8.369 8.416 -0.047 25731 479 1 3 . 1 1 151 151 ALA N N 151 125.461 125.461 124.395 1.066 25731 480 1 3 . 1 1 151 151 ALA H H 151 7.407 7.407 7.453 -0.046 25731 481 1 3 . 1 1 152 152 ILE N N 152 119.784 119.784 119.226 0.558 25731 482 1 3 . 1 1 152 152 ILE H H 152 6.746 6.746 7.692 -0.946 25731 483 1 3 . 1 1 158 158 LEU N N 158 127.511 127.511 127.403 0.108 25731 484 1 3 . 1 1 158 158 LEU H H 158 8.058 8.058 8.068 -0.010 25731 485 1 3 . 1 1 161 161 ALA N N 161 125.207 125.207 121.698 3.509 25731 486 1 3 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 487 1 3 . 1 1 162 162 ASP N N 162 110.996 110.996 113.748 -2.752 25731 488 1 3 . 1 1 162 162 ASP H H 162 7.475 7.475 7.885 -0.410 25731 489 1 3 . 1 1 181 181 THR N N 181 111.899 111.899 120.533 -8.634 25731 490 1 3 . 1 1 181 181 THR H H 181 8.354 8.354 8.469 -0.115 25731 491 1 3 . 1 1 206 206 GLY N N 206 117.211 117.211 107.918 9.293 25731 492 1 3 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 493 1 3 . 1 1 207 207 SER N N 207 112.839 112.839 112.465 0.374 25731 494 1 3 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 495 1 3 . 1 1 208 208 VAL N N 208 128.351 128.351 121.092 7.259 25731 496 1 3 . 1 1 208 208 VAL H H 208 7.799 7.799 8.010 -0.211 25731 497 1 3 . 1 1 209 209 THR N N 209 113.459 113.459 114.596 -1.137 25731 498 1 3 . 1 1 209 209 THR H H 209 9.742 9.742 8.093 1.649 25731 499 1 3 . 1 1 210 210 SER N N 210 114.577 114.577 112.902 1.675 25731 500 1 3 . 1 1 210 210 SER H H 210 7.630 7.630 8.437 -0.807 25731 501 1 3 . 1 1 212 212 VAL N N 212 119.189 119.189 120.214 -1.025 25731 502 1 3 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 503 1 3 . 1 1 213 213 LYS N N 213 124.796 124.796 124.318 0.478 25731 504 1 3 . 1 1 213 213 LYS H H 213 8.871 8.871 9.620 -0.749 25731 505 1 3 . 1 1 214 214 ASN N N 214 118.397 118.397 120.341 -1.944 25731 506 1 3 . 1 1 214 214 ASN H H 214 8.508 8.508 8.392 0.116 25731 507 1 3 . 1 1 220 220 LEU N N 220 130.815 130.815 128.886 1.929 25731 508 1 3 . 1 1 220 220 LEU H H 220 9.089 9.089 8.355 0.734 25731 509 1 3 . 1 1 222 222 ALA N N 222 128.761 128.761 120.180 8.581 25731 510 1 3 . 1 1 222 222 ALA H H 222 8.440 8.440 8.550 -0.110 25731 511 1 3 . 1 1 229 229 VAL N N 229 123.649 123.649 125.095 -1.446 25731 512 1 3 . 1 1 229 229 VAL H H 229 8.483 8.483 8.635 -0.152 25731 513 1 3 . 1 1 230 230 ASN N N 230 124.668 124.668 125.804 -1.136 25731 514 1 3 . 1 1 230 230 ASN H H 230 10.129 10.129 8.530 1.599 25731 515 1 3 . 1 1 232 232 THR N N 232 109.569 109.569 115.623 -6.054 25731 516 1 3 . 1 1 232 232 THR H H 232 7.786 7.786 8.075 -0.289 25731 517 1 3 . 1 1 283 283 GLY N N 283 107.398 107.398 107.159 0.239 25731 518 1 3 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 519 1 3 . 1 1 288 288 GLY N N 288 106.551 106.551 106.957 -0.406 25731 520 1 3 . 1 1 288 288 GLY H H 288 7.774 7.774 7.494 0.280 25731 521 1 3 . 1 1 291 291 GLY N N 291 106.112 106.112 104.601 1.511 25731 522 1 3 . 1 1 291 291 GLY H H 291 7.360 7.360 7.405 -0.045 25731 523 1 3 . 1 1 330 330 ILE N N 330 125.891 125.891 128.544 -2.653 25731 524 1 3 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 525 1 3 . 1 1 331 331 VAL N N 331 130.011 130.011 128.115 1.896 25731 526 1 3 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 527 1 3 . 1 1 332 332 ARG N N 332 128.386 128.386 128.595 -0.209 25731 528 1 3 . 1 1 332 332 ARG H H 332 7.923 7.923 8.450 -0.527 25731 529 1 3 . 1 1 368 368 GLU N N 368 120.295 120.295 118.349 1.946 25731 530 1 3 . 1 1 368 368 GLU H H 368 9.831 9.831 8.785 1.046 25731 531 1 3 . 1 1 370 370 LEU N N 370 121.704 121.704 121.787 -0.083 25731 532 1 3 . 1 1 370 370 LEU H H 370 6.739 6.739 7.598 -0.859 25731 533 1 3 . 1 1 373 373 GLN N N 373 115.819 115.819 120.585 -4.766 25731 534 1 3 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 535 1 3 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 536 1 3 . 1 1 384 384 GLY H H 384 7.286 7.286 7.301 -0.015 25731 537 1 3 . 1 1 386 386 LEU N N 386 126.834 126.834 126.985 -0.151 25731 538 1 3 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 539 1 3 . 1 1 399 399 VAL N N 399 117.218 117.218 119.101 -1.883 25731 540 1 3 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 541 1 3 . 1 1 419 419 ALA N N 419 125.187 125.187 127.531 -2.344 25731 542 1 3 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 543 1 3 . 1 1 420 420 PHE N N 420 110.844 110.844 115.934 -5.090 25731 544 1 3 . 1 1 420 420 PHE H H 420 7.151 7.151 7.544 -0.393 25731 545 1 3 . 1 1 422 422 GLU N N 422 127.390 127.390 125.666 1.724 25731 546 1 3 . 1 1 422 422 GLU H H 422 8.442 8.442 8.633 -0.191 25731 547 1 3 . 1 1 423 423 SER N N 423 115.144 115.144 114.507 0.637 25731 548 1 3 . 1 1 423 423 SER H H 423 8.591 8.591 7.984 0.607 25731 549 1 3 . 1 1 425 425 GLU N N 425 128.863 128.863 128.464 0.399 25731 550 1 3 . 1 1 425 425 GLU H H 425 8.779 8.779 8.701 0.078 25731 551 1 3 . 1 1 426 426 ILE N N 426 122.399 122.399 121.519 0.880 25731 552 1 3 . 1 1 426 426 ILE H H 426 9.634 9.634 8.181 1.453 25731 553 1 3 . 1 1 427 427 GLY N N 427 116.513 116.513 112.232 4.281 25731 554 1 3 . 1 1 427 427 GLY H H 427 9.038 9.038 8.512 0.526 25731 555 1 3 . 1 1 475 475 GLN N N 475 126.671 126.671 127.071 -0.400 25731 556 1 3 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 557 1 3 . 1 1 481 481 VAL N N 481 123.573 123.573 122.708 0.865 25731 558 1 3 . 1 1 481 481 VAL H H 481 6.827 6.827 7.319 -0.492 25731 559 1 3 . 1 1 496 496 GLY N N 496 108.132 108.132 107.315 0.817 25731 560 1 3 . 1 1 496 496 GLY H H 496 7.913 7.913 7.863 0.050 25731 561 1 3 . 1 1 498 498 TRP N N 498 114.239 114.239 116.741 -2.502 25731 562 1 3 . 1 1 498 498 TRP H H 498 6.657 6.657 7.803 -1.146 25731 563 1 3 . 1 1 499 499 THR N N 499 115.578 115.578 117.514 -1.936 25731 564 1 3 . 1 1 499 499 THR H H 499 9.872 9.872 8.700 1.172 25731 565 1 3 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 566 1 3 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 567 1 3 . 1 1 558 558 THR N N 558 121.278 121.278 120.783 0.495 25731 568 1 3 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 569 1 3 . 1 1 559 559 ASP N N 559 121.304 121.304 121.127 0.177 25731 570 1 3 . 1 1 559 559 ASP H H 559 9.227 9.227 8.622 0.605 25731 571 1 4 . 1 1 4 4 GLY N N 4 109.068 109.068 111.163 -2.095 25731 572 1 4 . 1 1 4 4 GLY H H 4 8.608 8.608 8.257 0.351 25731 573 1 4 . 1 1 5 5 ILE N N 5 131.711 131.711 120.611 11.100 25731 574 1 4 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 575 1 4 . 1 1 7 7 ALA N N 7 130.884 130.884 126.044 4.840 25731 576 1 4 . 1 1 7 7 ALA H H 7 7.841 7.841 8.528 -0.687 25731 577 1 4 . 1 1 8 8 SER N N 8 111.971 111.971 112.718 -0.747 25731 578 1 4 . 1 1 8 8 SER H H 8 7.715 7.715 7.571 0.144 25731 579 1 4 . 1 1 10 10 GLY N N 10 104.297 104.297 109.439 -5.142 25731 580 1 4 . 1 1 10 10 GLY H H 10 6.261 6.261 7.921 -1.660 25731 581 1 4 . 1 1 14 14 GLY N N 14 108.348 108.348 111.055 -2.707 25731 582 1 4 . 1 1 14 14 GLY H H 14 8.294 8.294 8.091 0.203 25731 583 1 4 . 1 1 18 18 LEU N N 18 129.007 129.007 126.964 2.043 25731 584 1 4 . 1 1 18 18 LEU H H 18 8.839 8.839 8.463 0.376 25731 585 1 4 . 1 1 19 19 LEU N N 19 129.235 129.235 128.783 0.452 25731 586 1 4 . 1 1 19 19 LEU H H 19 8.982 8.982 8.258 0.724 25731 587 1 4 . 1 1 23 23 GLU N N 23 122.434 122.434 119.181 3.253 25731 588 1 4 . 1 1 23 23 GLU H H 23 8.471 8.471 8.457 0.014 25731 589 1 4 . 1 1 24 24 ILE N N 24 124.551 124.551 122.995 1.556 25731 590 1 4 . 1 1 24 24 ILE H H 24 8.459 8.459 8.384 0.075 25731 591 1 4 . 1 1 25 25 VAL N N 25 131.023 131.023 127.486 3.537 25731 592 1 4 . 1 1 25 25 VAL H H 25 8.087 8.087 8.238 -0.151 25731 593 1 4 . 1 1 26 26 ILE N N 26 126.563 126.563 126.659 -0.096 25731 594 1 4 . 1 1 26 26 ILE H H 26 7.994 7.994 8.336 -0.343 25731 595 1 4 . 1 1 27 27 ASP N N 27 128.838 128.838 127.712 1.126 25731 596 1 4 . 1 1 27 27 ASP H H 27 9.479 9.479 8.489 0.990 25731 597 1 4 . 1 1 28 28 ARG N N 28 124.609 124.609 123.764 0.845 25731 598 1 4 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 599 1 4 . 1 1 29 29 LYS N N 29 123.043 123.043 121.077 1.966 25731 600 1 4 . 1 1 29 29 LYS H H 29 8.152 8.152 7.604 0.548 25731 601 1 4 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 602 1 4 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 603 1 4 . 1 1 32 32 SER N N 32 114.432 114.432 116.748 -2.316 25731 604 1 4 . 1 1 32 32 SER H H 32 8.102 8.102 9.194 -1.092 25731 605 1 4 . 1 1 37 37 ASP N N 37 118.749 118.749 118.593 0.156 25731 606 1 4 . 1 1 37 37 ASP H H 37 8.539 8.539 7.950 0.589 25731 607 1 4 . 1 1 40 40 VAL N N 40 122.242 122.242 120.137 2.105 25731 608 1 4 . 1 1 40 40 VAL H H 40 8.817 8.817 8.049 0.768 25731 609 1 4 . 1 1 41 41 GLU N N 41 119.003 119.003 120.104 -1.101 25731 610 1 4 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 611 1 4 . 1 1 45 45 SER N N 45 116.937 116.937 115.170 1.767 25731 612 1 4 . 1 1 45 45 SER H H 45 9.073 9.073 8.829 0.244 25731 613 1 4 . 1 1 46 46 GLY N N 46 111.188 111.188 109.374 1.814 25731 614 1 4 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 615 1 4 . 1 1 47 47 ARG N N 47 123.155 123.155 121.983 1.172 25731 616 1 4 . 1 1 47 47 ARG H H 47 8.755 8.755 8.490 0.265 25731 617 1 4 . 1 1 56 56 THR N N 56 116.925 116.925 115.808 1.117 25731 618 1 4 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 619 1 4 . 1 1 58 58 LYS N N 58 120.834 120.834 120.815 0.019 25731 620 1 4 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 621 1 4 . 1 1 68 68 GLU N N 68 120.644 120.644 120.539 0.105 25731 622 1 4 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 623 1 4 . 1 1 71 71 ALA N N 71 118.782 118.782 121.361 -2.579 25731 624 1 4 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 625 1 4 . 1 1 75 75 GLY N N 75 106.782 106.782 108.611 -1.829 25731 626 1 4 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 627 1 4 . 1 1 81 81 GLU N N 81 113.885 113.885 114.910 -1.025 25731 628 1 4 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 629 1 4 . 1 1 83 83 GLU N N 83 129.401 129.401 127.078 2.323 25731 630 1 4 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 631 1 4 . 1 1 92 92 LEU N N 92 118.295 118.295 119.108 -0.813 25731 632 1 4 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 633 1 4 . 1 1 93 93 ILE N N 93 120.627 120.627 120.059 0.568 25731 634 1 4 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 635 1 4 . 1 1 94 94 LYS N N 94 115.650 115.650 118.420 -2.770 25731 636 1 4 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 637 1 4 . 1 1 96 96 LYS N N 96 115.886 115.886 116.400 -0.514 25731 638 1 4 . 1 1 96 96 LYS H H 96 7.154 7.154 8.065 -0.911 25731 639 1 4 . 1 1 100 100 ALA N N 100 121.819 121.819 124.424 -2.605 25731 640 1 4 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 641 1 4 . 1 1 101 101 ASP N N 101 109.661 109.661 117.292 -7.631 25731 642 1 4 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 643 1 4 . 1 1 104 104 ALA N N 104 118.118 118.118 120.873 -2.755 25731 644 1 4 . 1 1 104 104 ALA H H 104 8.328 8.328 8.159 0.169 25731 645 1 4 . 1 1 110 110 GLY N N 110 108.385 108.385 107.920 0.465 25731 646 1 4 . 1 1 110 110 GLY H H 110 7.984 7.984 8.501 -0.517 25731 647 1 4 . 1 1 113 113 SER N N 113 112.590 112.590 114.934 -2.344 25731 648 1 4 . 1 1 113 113 SER H H 113 8.406 8.406 8.567 -0.161 25731 649 1 4 . 1 1 115 115 LEU N N 115 118.313 118.313 118.534 -0.221 25731 650 1 4 . 1 1 115 115 LEU H H 115 7.467 7.467 7.905 -0.438 25731 651 1 4 . 1 1 116 116 GLU N N 116 116.378 116.378 120.070 -3.692 25731 652 1 4 . 1 1 116 116 GLU H H 116 7.756 7.756 8.037 -0.281 25731 653 1 4 . 1 1 117 117 GLU N N 117 117.307 117.307 116.662 0.645 25731 654 1 4 . 1 1 117 117 GLU H H 117 7.446 7.446 7.521 -0.075 25731 655 1 4 . 1 1 118 118 LEU N N 118 119.474 119.474 121.647 -2.173 25731 656 1 4 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 657 1 4 . 1 1 122 122 TYR N N 122 119.867 119.867 120.486 -0.619 25731 658 1 4 . 1 1 122 122 TYR H H 122 8.258 8.258 8.536 -0.278 25731 659 1 4 . 1 1 134 134 GLY N N 134 109.570 109.570 106.461 3.109 25731 660 1 4 . 1 1 134 134 GLY H H 134 8.746 8.746 7.628 1.118 25731 661 1 4 . 1 1 138 138 LEU N N 138 119.451 119.451 118.546 0.905 25731 662 1 4 . 1 1 138 138 LEU H H 138 8.921 8.921 7.732 1.189 25731 663 1 4 . 1 1 143 143 GLY N N 143 109.192 109.192 105.246 3.946 25731 664 1 4 . 1 1 143 143 GLY H H 143 7.673 7.673 8.183 -0.510 25731 665 1 4 . 1 1 146 146 ILE N N 146 126.426 126.426 125.418 1.008 25731 666 1 4 . 1 1 146 146 ILE H H 146 8.295 8.295 8.749 -0.454 25731 667 1 4 . 1 1 148 148 ASP N N 148 126.756 126.756 127.071 -0.315 25731 668 1 4 . 1 1 148 148 ASP H H 148 8.369 8.369 8.453 -0.084 25731 669 1 4 . 1 1 151 151 ALA N N 151 125.461 125.461 124.403 1.058 25731 670 1 4 . 1 1 151 151 ALA H H 151 7.407 7.407 7.453 -0.046 25731 671 1 4 . 1 1 152 152 ILE N N 152 119.784 119.784 119.221 0.563 25731 672 1 4 . 1 1 152 152 ILE H H 152 6.746 6.746 7.691 -0.945 25731 673 1 4 . 1 1 158 158 LEU N N 158 127.511 127.511 127.394 0.117 25731 674 1 4 . 1 1 158 158 LEU H H 158 8.058 8.058 8.067 -0.009 25731 675 1 4 . 1 1 161 161 ALA N N 161 125.207 125.207 121.700 3.507 25731 676 1 4 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 677 1 4 . 1 1 162 162 ASP N N 162 110.996 110.996 113.752 -2.756 25731 678 1 4 . 1 1 162 162 ASP H H 162 7.475 7.475 7.885 -0.410 25731 679 1 4 . 1 1 181 181 THR N N 181 111.899 111.899 120.530 -8.631 25731 680 1 4 . 1 1 181 181 THR H H 181 8.354 8.354 8.467 -0.113 25731 681 1 4 . 1 1 206 206 GLY N N 206 117.211 117.211 107.918 9.293 25731 682 1 4 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 683 1 4 . 1 1 207 207 SER N N 207 112.839 112.839 112.462 0.377 25731 684 1 4 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 685 1 4 . 1 1 208 208 VAL N N 208 128.351 128.351 121.093 7.258 25731 686 1 4 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 687 1 4 . 1 1 209 209 THR N N 209 113.459 113.459 114.588 -1.129 25731 688 1 4 . 1 1 209 209 THR H H 209 9.742 9.742 8.094 1.648 25731 689 1 4 . 1 1 210 210 SER N N 210 114.577 114.577 112.895 1.682 25731 690 1 4 . 1 1 210 210 SER H H 210 7.630 7.630 8.438 -0.808 25731 691 1 4 . 1 1 212 212 VAL N N 212 119.189 119.189 120.215 -1.026 25731 692 1 4 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 693 1 4 . 1 1 213 213 LYS N N 213 124.796 124.796 124.318 0.478 25731 694 1 4 . 1 1 213 213 LYS H H 213 8.871 8.871 9.620 -0.749 25731 695 1 4 . 1 1 214 214 ASN N N 214 118.397 118.397 120.340 -1.943 25731 696 1 4 . 1 1 214 214 ASN H H 214 8.508 8.508 8.392 0.116 25731 697 1 4 . 1 1 220 220 LEU N N 220 130.815 130.815 128.913 1.902 25731 698 1 4 . 1 1 220 220 LEU H H 220 9.089 9.089 8.338 0.751 25731 699 1 4 . 1 1 222 222 ALA N N 222 128.761 128.761 120.167 8.594 25731 700 1 4 . 1 1 222 222 ALA H H 222 8.440 8.440 8.519 -0.079 25731 701 1 4 . 1 1 229 229 VAL N N 229 123.649 123.649 125.061 -1.412 25731 702 1 4 . 1 1 229 229 VAL H H 229 8.483 8.483 8.642 -0.159 25731 703 1 4 . 1 1 230 230 ASN N N 230 124.668 124.668 125.802 -1.134 25731 704 1 4 . 1 1 230 230 ASN H H 230 10.129 10.129 8.530 1.599 25731 705 1 4 . 1 1 232 232 THR N N 232 109.569 109.569 115.608 -6.039 25731 706 1 4 . 1 1 232 232 THR H H 232 7.786 7.786 8.068 -0.282 25731 707 1 4 . 1 1 283 283 GLY N N 283 107.398 107.398 107.159 0.239 25731 708 1 4 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 709 1 4 . 1 1 288 288 GLY N N 288 106.551 106.551 107.173 -0.622 25731 710 1 4 . 1 1 288 288 GLY H H 288 7.774 7.774 7.441 0.333 25731 711 1 4 . 1 1 291 291 GLY N N 291 106.112 106.112 104.503 1.609 25731 712 1 4 . 1 1 291 291 GLY H H 291 7.360 7.360 7.397 -0.037 25731 713 1 4 . 1 1 330 330 ILE N N 330 125.891 125.891 128.537 -2.646 25731 714 1 4 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 715 1 4 . 1 1 331 331 VAL N N 331 130.011 130.011 128.106 1.905 25731 716 1 4 . 1 1 331 331 VAL H H 331 8.978 8.978 8.900 0.078 25731 717 1 4 . 1 1 332 332 ARG N N 332 128.386 128.386 128.584 -0.198 25731 718 1 4 . 1 1 332 332 ARG H H 332 7.923 7.923 8.451 -0.528 25731 719 1 4 . 1 1 368 368 GLU N N 368 120.295 120.295 118.308 1.987 25731 720 1 4 . 1 1 368 368 GLU H H 368 9.831 9.831 8.790 1.041 25731 721 1 4 . 1 1 370 370 LEU N N 370 121.704 121.704 121.820 -0.116 25731 722 1 4 . 1 1 370 370 LEU H H 370 6.739 6.739 7.601 -0.862 25731 723 1 4 . 1 1 373 373 GLN N N 373 115.819 115.819 120.584 -4.765 25731 724 1 4 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 725 1 4 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 726 1 4 . 1 1 384 384 GLY H H 384 7.286 7.286 7.301 -0.015 25731 727 1 4 . 1 1 386 386 LEU N N 386 126.834 126.834 126.985 -0.151 25731 728 1 4 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 729 1 4 . 1 1 399 399 VAL N N 399 117.218 117.218 119.102 -1.884 25731 730 1 4 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 731 1 4 . 1 1 419 419 ALA N N 419 125.187 125.187 127.529 -2.342 25731 732 1 4 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 733 1 4 . 1 1 420 420 PHE N N 420 110.844 110.844 115.934 -5.090 25731 734 1 4 . 1 1 420 420 PHE H H 420 7.151 7.151 7.543 -0.392 25731 735 1 4 . 1 1 422 422 GLU N N 422 127.390 127.390 125.668 1.722 25731 736 1 4 . 1 1 422 422 GLU H H 422 8.442 8.442 8.634 -0.192 25731 737 1 4 . 1 1 423 423 SER N N 423 115.144 115.144 114.507 0.637 25731 738 1 4 . 1 1 423 423 SER H H 423 8.591 8.591 7.984 0.607 25731 739 1 4 . 1 1 425 425 GLU N N 425 128.863 128.863 128.466 0.397 25731 740 1 4 . 1 1 425 425 GLU H H 425 8.779 8.779 8.701 0.078 25731 741 1 4 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 742 1 4 . 1 1 426 426 ILE H H 426 9.634 9.634 8.183 1.451 25731 743 1 4 . 1 1 427 427 GLY N N 427 116.513 116.513 112.233 4.280 25731 744 1 4 . 1 1 427 427 GLY H H 427 9.038 9.038 8.517 0.521 25731 745 1 4 . 1 1 475 475 GLN N N 475 126.671 126.671 127.072 -0.401 25731 746 1 4 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 747 1 4 . 1 1 481 481 VAL N N 481 123.573 123.573 122.705 0.868 25731 748 1 4 . 1 1 481 481 VAL H H 481 6.827 6.827 7.320 -0.493 25731 749 1 4 . 1 1 496 496 GLY N N 496 108.132 108.132 107.311 0.821 25731 750 1 4 . 1 1 496 496 GLY H H 496 7.913 7.913 7.860 0.053 25731 751 1 4 . 1 1 498 498 TRP N N 498 114.239 114.239 116.710 -2.471 25731 752 1 4 . 1 1 498 498 TRP H H 498 6.657 6.657 7.792 -1.135 25731 753 1 4 . 1 1 499 499 THR N N 499 115.578 115.578 117.511 -1.933 25731 754 1 4 . 1 1 499 499 THR H H 499 9.872 9.872 8.701 1.171 25731 755 1 4 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 756 1 4 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 757 1 4 . 1 1 558 558 THR N N 558 121.278 121.278 120.786 0.492 25731 758 1 4 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.455 25731 759 1 4 . 1 1 559 559 ASP N N 559 121.304 121.304 121.129 0.175 25731 760 1 4 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.604 25731 761 1 5 . 1 1 4 4 GLY N N 4 109.068 109.068 111.166 -2.098 25731 762 1 5 . 1 1 4 4 GLY H H 4 8.608 8.608 8.256 0.352 25731 763 1 5 . 1 1 5 5 ILE N N 5 131.711 131.711 120.611 11.100 25731 764 1 5 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 765 1 5 . 1 1 7 7 ALA N N 7 130.884 130.884 126.043 4.841 25731 766 1 5 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 767 1 5 . 1 1 8 8 SER N N 8 111.971 111.971 112.717 -0.746 25731 768 1 5 . 1 1 8 8 SER H H 8 7.715 7.715 7.573 0.142 25731 769 1 5 . 1 1 10 10 GLY N N 10 104.297 104.297 109.424 -5.127 25731 770 1 5 . 1 1 10 10 GLY H H 10 6.261 6.261 7.918 -1.657 25731 771 1 5 . 1 1 14 14 GLY N N 14 108.348 108.348 111.098 -2.750 25731 772 1 5 . 1 1 14 14 GLY H H 14 8.294 8.294 8.220 0.074 25731 773 1 5 . 1 1 18 18 LEU N N 18 129.007 129.007 126.966 2.041 25731 774 1 5 . 1 1 18 18 LEU H H 18 8.839 8.839 8.465 0.374 25731 775 1 5 . 1 1 19 19 LEU N N 19 129.235 129.235 128.789 0.446 25731 776 1 5 . 1 1 19 19 LEU H H 19 8.982 8.982 8.259 0.723 25731 777 1 5 . 1 1 23 23 GLU N N 23 122.434 122.434 119.227 3.207 25731 778 1 5 . 1 1 23 23 GLU H H 23 8.471 8.471 8.458 0.013 25731 779 1 5 . 1 1 24 24 ILE N N 24 124.551 124.551 123.021 1.530 25731 780 1 5 . 1 1 24 24 ILE H H 24 8.459 8.459 8.386 0.073 25731 781 1 5 . 1 1 25 25 VAL N N 25 131.023 131.023 127.527 3.496 25731 782 1 5 . 1 1 25 25 VAL H H 25 8.087 8.087 8.239 -0.152 25731 783 1 5 . 1 1 26 26 ILE N N 26 126.563 126.563 126.665 -0.102 25731 784 1 5 . 1 1 26 26 ILE H H 26 7.994 7.994 8.338 -0.344 25731 785 1 5 . 1 1 27 27 ASP N N 27 128.838 128.838 127.723 1.115 25731 786 1 5 . 1 1 27 27 ASP H H 27 9.479 9.479 8.489 0.990 25731 787 1 5 . 1 1 28 28 ARG N N 28 124.609 124.609 123.757 0.852 25731 788 1 5 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 789 1 5 . 1 1 29 29 LYS N N 29 123.043 123.043 121.075 1.968 25731 790 1 5 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 791 1 5 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 792 1 5 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 793 1 5 . 1 1 32 32 SER N N 32 114.432 114.432 116.752 -2.320 25731 794 1 5 . 1 1 32 32 SER H H 32 8.102 8.102 9.192 -1.090 25731 795 1 5 . 1 1 37 37 ASP N N 37 118.749 118.749 118.596 0.153 25731 796 1 5 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 797 1 5 . 1 1 40 40 VAL N N 40 122.242 122.242 120.137 2.105 25731 798 1 5 . 1 1 40 40 VAL H H 40 8.817 8.817 8.048 0.769 25731 799 1 5 . 1 1 41 41 GLU N N 41 119.003 119.003 120.105 -1.102 25731 800 1 5 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 801 1 5 . 1 1 45 45 SER N N 45 116.937 116.937 115.160 1.777 25731 802 1 5 . 1 1 45 45 SER H H 45 9.073 9.073 8.830 0.243 25731 803 1 5 . 1 1 46 46 GLY N N 46 111.188 111.188 109.374 1.814 25731 804 1 5 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 805 1 5 . 1 1 47 47 ARG N N 47 123.155 123.155 121.982 1.173 25731 806 1 5 . 1 1 47 47 ARG H H 47 8.755 8.755 8.490 0.265 25731 807 1 5 . 1 1 56 56 THR N N 56 116.925 116.925 115.808 1.117 25731 808 1 5 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 809 1 5 . 1 1 58 58 LYS N N 58 120.834 120.834 120.815 0.019 25731 810 1 5 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 811 1 5 . 1 1 68 68 GLU N N 68 120.644 120.644 120.544 0.100 25731 812 1 5 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 813 1 5 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 814 1 5 . 1 1 71 71 ALA H H 71 7.660 7.660 7.637 0.023 25731 815 1 5 . 1 1 75 75 GLY N N 75 106.782 106.782 108.613 -1.831 25731 816 1 5 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 817 1 5 . 1 1 81 81 GLU N N 81 113.885 113.885 114.912 -1.027 25731 818 1 5 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 819 1 5 . 1 1 83 83 GLU N N 83 129.401 129.401 127.074 2.327 25731 820 1 5 . 1 1 83 83 GLU H H 83 9.055 9.055 8.954 0.101 25731 821 1 5 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 822 1 5 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 823 1 5 . 1 1 93 93 ILE N N 93 120.627 120.627 120.054 0.573 25731 824 1 5 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 825 1 5 . 1 1 94 94 LYS N N 94 115.650 115.650 118.427 -2.777 25731 826 1 5 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 827 1 5 . 1 1 96 96 LYS N N 96 115.886 115.886 116.396 -0.510 25731 828 1 5 . 1 1 96 96 LYS H H 96 7.154 7.154 8.066 -0.912 25731 829 1 5 . 1 1 100 100 ALA N N 100 121.819 121.819 124.433 -2.614 25731 830 1 5 . 1 1 100 100 ALA H H 100 10.542 10.542 8.262 2.280 25731 831 1 5 . 1 1 101 101 ASP N N 101 109.661 109.661 117.288 -7.627 25731 832 1 5 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 833 1 5 . 1 1 104 104 ALA N N 104 118.118 118.118 120.870 -2.752 25731 834 1 5 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 835 1 5 . 1 1 110 110 GLY N N 110 108.385 108.385 107.922 0.463 25731 836 1 5 . 1 1 110 110 GLY H H 110 7.984 7.984 8.502 -0.518 25731 837 1 5 . 1 1 113 113 SER N N 113 112.590 112.590 114.935 -2.345 25731 838 1 5 . 1 1 113 113 SER H H 113 8.406 8.406 8.569 -0.163 25731 839 1 5 . 1 1 115 115 LEU N N 115 118.313 118.313 118.534 -0.221 25731 840 1 5 . 1 1 115 115 LEU H H 115 7.467 7.467 7.905 -0.438 25731 841 1 5 . 1 1 116 116 GLU N N 116 116.378 116.378 120.068 -3.690 25731 842 1 5 . 1 1 116 116 GLU H H 116 7.756 7.756 8.039 -0.283 25731 843 1 5 . 1 1 117 117 GLU N N 117 117.307 117.307 116.665 0.642 25731 844 1 5 . 1 1 117 117 GLU H H 117 7.446 7.446 7.521 -0.075 25731 845 1 5 . 1 1 118 118 LEU N N 118 119.474 119.474 121.642 -2.168 25731 846 1 5 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 847 1 5 . 1 1 122 122 TYR N N 122 119.867 119.867 120.485 -0.618 25731 848 1 5 . 1 1 122 122 TYR H H 122 8.258 8.258 8.536 -0.278 25731 849 1 5 . 1 1 134 134 GLY N N 134 109.570 109.570 106.463 3.107 25731 850 1 5 . 1 1 134 134 GLY H H 134 8.746 8.746 7.628 1.118 25731 851 1 5 . 1 1 138 138 LEU N N 138 119.451 119.451 118.543 0.908 25731 852 1 5 . 1 1 138 138 LEU H H 138 8.921 8.921 7.730 1.191 25731 853 1 5 . 1 1 143 143 GLY N N 143 109.192 109.192 105.315 3.877 25731 854 1 5 . 1 1 143 143 GLY H H 143 7.673 7.673 8.184 -0.511 25731 855 1 5 . 1 1 146 146 ILE N N 146 126.426 126.426 125.133 1.293 25731 856 1 5 . 1 1 146 146 ILE H H 146 8.295 8.295 8.751 -0.456 25731 857 1 5 . 1 1 148 148 ASP N N 148 126.756 126.756 127.054 -0.298 25731 858 1 5 . 1 1 148 148 ASP H H 148 8.369 8.369 8.447 -0.077 25731 859 1 5 . 1 1 151 151 ALA N N 151 125.461 125.461 124.376 1.085 25731 860 1 5 . 1 1 151 151 ALA H H 151 7.407 7.407 7.449 -0.042 25731 861 1 5 . 1 1 152 152 ILE N N 152 119.784 119.784 119.229 0.555 25731 862 1 5 . 1 1 152 152 ILE H H 152 6.746 6.746 7.694 -0.948 25731 863 1 5 . 1 1 158 158 LEU N N 158 127.511 127.511 127.416 0.095 25731 864 1 5 . 1 1 158 158 LEU H H 158 8.058 8.058 8.074 -0.016 25731 865 1 5 . 1 1 161 161 ALA N N 161 125.207 125.207 121.702 3.505 25731 866 1 5 . 1 1 161 161 ALA H H 161 9.201 9.201 8.866 0.335 25731 867 1 5 . 1 1 162 162 ASP N N 162 110.996 110.996 113.757 -2.761 25731 868 1 5 . 1 1 162 162 ASP H H 162 7.475 7.475 7.886 -0.411 25731 869 1 5 . 1 1 181 181 THR N N 181 111.899 111.899 120.533 -8.634 25731 870 1 5 . 1 1 181 181 THR H H 181 8.354 8.354 8.467 -0.113 25731 871 1 5 . 1 1 206 206 GLY N N 206 117.211 117.211 107.919 9.292 25731 872 1 5 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 873 1 5 . 1 1 207 207 SER N N 207 112.839 112.839 112.465 0.374 25731 874 1 5 . 1 1 207 207 SER H H 207 7.865 7.865 7.526 0.339 25731 875 1 5 . 1 1 208 208 VAL N N 208 128.351 128.351 121.089 7.262 25731 876 1 5 . 1 1 208 208 VAL H H 208 7.799 7.799 8.008 -0.209 25731 877 1 5 . 1 1 209 209 THR N N 209 113.459 113.459 114.593 -1.134 25731 878 1 5 . 1 1 209 209 THR H H 209 9.742 9.742 8.092 1.650 25731 879 1 5 . 1 1 210 210 SER N N 210 114.577 114.577 112.897 1.680 25731 880 1 5 . 1 1 210 210 SER H H 210 7.630 7.630 8.437 -0.807 25731 881 1 5 . 1 1 212 212 VAL N N 212 119.189 119.189 120.212 -1.023 25731 882 1 5 . 1 1 212 212 VAL H H 212 7.299 7.299 7.464 -0.165 25731 883 1 5 . 1 1 213 213 LYS N N 213 124.796 124.796 124.311 0.485 25731 884 1 5 . 1 1 213 213 LYS H H 213 8.871 8.871 9.621 -0.750 25731 885 1 5 . 1 1 214 214 ASN N N 214 118.397 118.397 120.339 -1.942 25731 886 1 5 . 1 1 214 214 ASN H H 214 8.508 8.508 8.392 0.116 25731 887 1 5 . 1 1 220 220 LEU N N 220 130.815 130.815 128.965 1.850 25731 888 1 5 . 1 1 220 220 LEU H H 220 9.089 9.089 8.317 0.772 25731 889 1 5 . 1 1 222 222 ALA N N 222 128.761 128.761 120.032 8.729 25731 890 1 5 . 1 1 222 222 ALA H H 222 8.440 8.440 8.536 -0.096 25731 891 1 5 . 1 1 229 229 VAL N N 229 123.649 123.649 125.122 -1.473 25731 892 1 5 . 1 1 229 229 VAL H H 229 8.483 8.483 8.630 -0.147 25731 893 1 5 . 1 1 230 230 ASN N N 230 124.668 124.668 125.788 -1.120 25731 894 1 5 . 1 1 230 230 ASN H H 230 10.129 10.129 8.518 1.611 25731 895 1 5 . 1 1 232 232 THR N N 232 109.569 109.569 115.617 -6.048 25731 896 1 5 . 1 1 232 232 THR H H 232 7.786 7.786 8.071 -0.285 25731 897 1 5 . 1 1 283 283 GLY N N 283 107.398 107.398 107.160 0.238 25731 898 1 5 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 899 1 5 . 1 1 288 288 GLY N N 288 106.551 106.551 106.991 -0.440 25731 900 1 5 . 1 1 288 288 GLY H H 288 7.774 7.774 7.502 0.272 25731 901 1 5 . 1 1 291 291 GLY N N 291 106.112 106.112 103.972 2.140 25731 902 1 5 . 1 1 291 291 GLY H H 291 7.360 7.360 7.366 -0.006 25731 903 1 5 . 1 1 330 330 ILE N N 330 125.891 125.891 128.539 -2.648 25731 904 1 5 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 905 1 5 . 1 1 331 331 VAL N N 331 130.011 130.011 128.104 1.907 25731 906 1 5 . 1 1 331 331 VAL H H 331 8.978 8.978 8.900 0.078 25731 907 1 5 . 1 1 332 332 ARG N N 332 128.386 128.386 128.595 -0.209 25731 908 1 5 . 1 1 332 332 ARG H H 332 7.923 7.923 8.451 -0.528 25731 909 1 5 . 1 1 368 368 GLU N N 368 120.295 120.295 118.364 1.931 25731 910 1 5 . 1 1 368 368 GLU H H 368 9.831 9.831 8.787 1.044 25731 911 1 5 . 1 1 370 370 LEU N N 370 121.704 121.704 121.805 -0.101 25731 912 1 5 . 1 1 370 370 LEU H H 370 6.739 6.739 7.602 -0.863 25731 913 1 5 . 1 1 373 373 GLN N N 373 115.819 115.819 120.584 -4.765 25731 914 1 5 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 915 1 5 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 916 1 5 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.016 25731 917 1 5 . 1 1 386 386 LEU N N 386 126.834 126.834 126.987 -0.153 25731 918 1 5 . 1 1 386 386 LEU H H 386 9.300 9.300 8.147 1.153 25731 919 1 5 . 1 1 399 399 VAL N N 399 117.218 117.218 119.103 -1.885 25731 920 1 5 . 1 1 399 399 VAL H H 399 6.947 6.947 7.359 -0.412 25731 921 1 5 . 1 1 419 419 ALA N N 419 125.187 125.187 127.618 -2.431 25731 922 1 5 . 1 1 419 419 ALA H H 419 8.324 8.324 8.637 -0.313 25731 923 1 5 . 1 1 420 420 PHE N N 420 110.844 110.844 116.146 -5.302 25731 924 1 5 . 1 1 420 420 PHE H H 420 7.151 7.151 7.625 -0.474 25731 925 1 5 . 1 1 422 422 GLU N N 422 127.390 127.390 125.627 1.763 25731 926 1 5 . 1 1 422 422 GLU H H 422 8.442 8.442 8.597 -0.155 25731 927 1 5 . 1 1 423 423 SER N N 423 115.144 115.144 114.509 0.635 25731 928 1 5 . 1 1 423 423 SER H H 423 8.591 8.591 7.975 0.616 25731 929 1 5 . 1 1 425 425 GLU N N 425 128.863 128.863 128.468 0.395 25731 930 1 5 . 1 1 425 425 GLU H H 425 8.779 8.779 8.703 0.076 25731 931 1 5 . 1 1 426 426 ILE N N 426 122.399 122.399 121.522 0.877 25731 932 1 5 . 1 1 426 426 ILE H H 426 9.634 9.634 8.184 1.450 25731 933 1 5 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 934 1 5 . 1 1 427 427 GLY H H 427 9.038 9.038 8.518 0.520 25731 935 1 5 . 1 1 475 475 GLN N N 475 126.671 126.671 127.071 -0.400 25731 936 1 5 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 937 1 5 . 1 1 481 481 VAL N N 481 123.573 123.573 122.727 0.846 25731 938 1 5 . 1 1 481 481 VAL H H 481 6.827 6.827 7.321 -0.494 25731 939 1 5 . 1 1 496 496 GLY N N 496 108.132 108.132 107.313 0.819 25731 940 1 5 . 1 1 496 496 GLY H H 496 7.913 7.913 7.859 0.054 25731 941 1 5 . 1 1 498 498 TRP N N 498 114.239 114.239 116.713 -2.474 25731 942 1 5 . 1 1 498 498 TRP H H 498 6.657 6.657 7.793 -1.136 25731 943 1 5 . 1 1 499 499 THR N N 499 115.578 115.578 117.513 -1.935 25731 944 1 5 . 1 1 499 499 THR H H 499 9.872 9.872 8.701 1.171 25731 945 1 5 . 1 1 557 557 THR N N 557 132.226 132.226 114.824 17.402 25731 946 1 5 . 1 1 557 557 THR H H 557 6.536 6.536 7.388 -0.852 25731 947 1 5 . 1 1 558 558 THR N N 558 121.278 121.278 120.758 0.520 25731 948 1 5 . 1 1 558 558 THR H H 558 9.116 9.116 8.663 0.453 25731 949 1 5 . 1 1 559 559 ASP N N 559 121.304 121.304 121.114 0.190 25731 950 1 5 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.604 25731 951 1 6 . 1 1 4 4 GLY N N 4 109.068 109.068 111.163 -2.095 25731 952 1 6 . 1 1 4 4 GLY H H 4 8.608 8.608 8.259 0.349 25731 953 1 6 . 1 1 5 5 ILE N N 5 131.711 131.711 120.614 11.097 25731 954 1 6 . 1 1 5 5 ILE H H 5 9.573 9.573 8.417 1.156 25731 955 1 6 . 1 1 7 7 ALA N N 7 130.884 130.884 126.044 4.840 25731 956 1 6 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 957 1 6 . 1 1 8 8 SER N N 8 111.971 111.971 112.720 -0.749 25731 958 1 6 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 959 1 6 . 1 1 10 10 GLY N N 10 104.297 104.297 109.422 -5.125 25731 960 1 6 . 1 1 10 10 GLY H H 10 6.261 6.261 7.917 -1.656 25731 961 1 6 . 1 1 14 14 GLY N N 14 108.348 108.348 110.402 -2.054 25731 962 1 6 . 1 1 14 14 GLY H H 14 8.294 8.294 8.026 0.268 25731 963 1 6 . 1 1 18 18 LEU N N 18 129.007 129.007 126.966 2.041 25731 964 1 6 . 1 1 18 18 LEU H H 18 8.839 8.839 8.462 0.377 25731 965 1 6 . 1 1 19 19 LEU N N 19 129.235 129.235 129.328 -0.093 25731 966 1 6 . 1 1 19 19 LEU H H 19 8.982 8.982 8.247 0.735 25731 967 1 6 . 1 1 23 23 GLU N N 23 122.434 122.434 119.270 3.164 25731 968 1 6 . 1 1 23 23 GLU H H 23 8.471 8.471 8.457 0.014 25731 969 1 6 . 1 1 24 24 ILE N N 24 124.551 124.551 123.060 1.491 25731 970 1 6 . 1 1 24 24 ILE H H 24 8.459 8.459 8.382 0.077 25731 971 1 6 . 1 1 25 25 VAL N N 25 131.023 131.023 127.559 3.464 25731 972 1 6 . 1 1 25 25 VAL H H 25 8.087 8.087 8.237 -0.150 25731 973 1 6 . 1 1 26 26 ILE N N 26 126.563 126.563 126.661 -0.098 25731 974 1 6 . 1 1 26 26 ILE H H 26 7.994 7.994 8.331 -0.337 25731 975 1 6 . 1 1 27 27 ASP N N 27 128.838 128.838 127.709 1.129 25731 976 1 6 . 1 1 27 27 ASP H H 27 9.479 9.479 8.487 0.992 25731 977 1 6 . 1 1 28 28 ARG N N 28 124.609 124.609 123.761 0.848 25731 978 1 6 . 1 1 28 28 ARG H H 28 8.299 8.299 7.943 0.356 25731 979 1 6 . 1 1 29 29 LYS N N 29 123.043 123.043 121.080 1.963 25731 980 1 6 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 981 1 6 . 1 1 30 30 LYS N N 30 123.947 123.947 122.885 1.062 25731 982 1 6 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 983 1 6 . 1 1 32 32 SER N N 32 114.432 114.432 116.735 -2.303 25731 984 1 6 . 1 1 32 32 SER H H 32 8.102 8.102 9.192 -1.090 25731 985 1 6 . 1 1 37 37 ASP N N 37 118.749 118.749 118.599 0.150 25731 986 1 6 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 987 1 6 . 1 1 40 40 VAL N N 40 122.242 122.242 120.137 2.105 25731 988 1 6 . 1 1 40 40 VAL H H 40 8.817 8.817 8.048 0.769 25731 989 1 6 . 1 1 41 41 GLU N N 41 119.003 119.003 120.106 -1.103 25731 990 1 6 . 1 1 41 41 GLU H H 41 7.910 7.910 7.926 -0.016 25731 991 1 6 . 1 1 45 45 SER N N 45 116.937 116.937 115.166 1.771 25731 992 1 6 . 1 1 45 45 SER H H 45 9.073 9.073 8.828 0.245 25731 993 1 6 . 1 1 46 46 GLY N N 46 111.188 111.188 109.372 1.816 25731 994 1 6 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 995 1 6 . 1 1 47 47 ARG N N 47 123.155 123.155 121.986 1.169 25731 996 1 6 . 1 1 47 47 ARG H H 47 8.755 8.755 8.492 0.263 25731 997 1 6 . 1 1 56 56 THR N N 56 116.925 116.925 115.811 1.114 25731 998 1 6 . 1 1 56 56 THR H H 56 7.602 7.602 7.529 0.073 25731 999 1 6 . 1 1 58 58 LYS N N 58 120.834 120.834 120.817 0.017 25731 1000 1 6 . 1 1 58 58 LYS H H 58 8.611 8.611 7.481 1.130 25731 1001 1 6 . 1 1 68 68 GLU N N 68 120.644 120.644 120.549 0.095 25731 1002 1 6 . 1 1 68 68 GLU H H 68 8.986 8.986 8.782 0.204 25731 1003 1 6 . 1 1 71 71 ALA N N 71 118.782 118.782 121.356 -2.574 25731 1004 1 6 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 1005 1 6 . 1 1 75 75 GLY N N 75 106.782 106.782 108.613 -1.831 25731 1006 1 6 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 1007 1 6 . 1 1 81 81 GLU N N 81 113.885 113.885 114.914 -1.029 25731 1008 1 6 . 1 1 81 81 GLU H H 81 7.963 7.963 7.797 0.166 25731 1009 1 6 . 1 1 83 83 GLU N N 83 129.401 129.401 127.077 2.324 25731 1010 1 6 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 1011 1 6 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 1012 1 6 . 1 1 92 92 LEU H H 92 7.422 7.422 7.587 -0.165 25731 1013 1 6 . 1 1 93 93 ILE N N 93 120.627 120.627 120.056 0.571 25731 1014 1 6 . 1 1 93 93 ILE H H 93 7.601 7.601 7.537 0.064 25731 1015 1 6 . 1 1 94 94 LYS N N 94 115.650 115.650 118.456 -2.806 25731 1016 1 6 . 1 1 94 94 LYS H H 94 8.498 8.498 8.219 0.279 25731 1017 1 6 . 1 1 96 96 LYS N N 96 115.886 115.886 116.401 -0.515 25731 1018 1 6 . 1 1 96 96 LYS H H 96 7.154 7.154 8.064 -0.910 25731 1019 1 6 . 1 1 100 100 ALA N N 100 121.819 121.819 124.421 -2.602 25731 1020 1 6 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 1021 1 6 . 1 1 101 101 ASP N N 101 109.661 109.661 117.283 -7.622 25731 1022 1 6 . 1 1 101 101 ASP H H 101 9.437 9.437 8.740 0.697 25731 1023 1 6 . 1 1 104 104 ALA N N 104 118.118 118.118 120.890 -2.772 25731 1024 1 6 . 1 1 104 104 ALA H H 104 8.328 8.328 8.156 0.172 25731 1025 1 6 . 1 1 110 110 GLY N N 110 108.385 108.385 107.905 0.480 25731 1026 1 6 . 1 1 110 110 GLY H H 110 7.984 7.984 8.468 -0.484 25731 1027 1 6 . 1 1 113 113 SER N N 113 112.590 112.590 114.925 -2.335 25731 1028 1 6 . 1 1 113 113 SER H H 113 8.406 8.406 8.554 -0.148 25731 1029 1 6 . 1 1 115 115 LEU N N 115 118.313 118.313 118.534 -0.221 25731 1030 1 6 . 1 1 115 115 LEU H H 115 7.467 7.467 7.900 -0.433 25731 1031 1 6 . 1 1 116 116 GLU N N 116 116.378 116.378 120.067 -3.689 25731 1032 1 6 . 1 1 116 116 GLU H H 116 7.756 7.756 8.033 -0.277 25731 1033 1 6 . 1 1 117 117 GLU N N 117 117.307 117.307 116.667 0.640 25731 1034 1 6 . 1 1 117 117 GLU H H 117 7.446 7.446 7.519 -0.073 25731 1035 1 6 . 1 1 118 118 LEU N N 118 119.474 119.474 121.642 -2.168 25731 1036 1 6 . 1 1 118 118 LEU H H 118 7.218 7.218 7.520 -0.302 25731 1037 1 6 . 1 1 122 122 TYR N N 122 119.867 119.867 120.491 -0.624 25731 1038 1 6 . 1 1 122 122 TYR H H 122 8.258 8.258 8.543 -0.285 25731 1039 1 6 . 1 1 134 134 GLY N N 134 109.570 109.570 106.480 3.090 25731 1040 1 6 . 1 1 134 134 GLY H H 134 8.746 8.746 7.644 1.102 25731 1041 1 6 . 1 1 138 138 LEU N N 138 119.451 119.451 118.549 0.902 25731 1042 1 6 . 1 1 138 138 LEU H H 138 8.921 8.921 7.741 1.180 25731 1043 1 6 . 1 1 143 143 GLY N N 143 109.192 109.192 104.999 4.193 25731 1044 1 6 . 1 1 143 143 GLY H H 143 7.673 7.673 8.173 -0.500 25731 1045 1 6 . 1 1 146 146 ILE N N 146 126.426 126.426 125.521 0.905 25731 1046 1 6 . 1 1 146 146 ILE H H 146 8.295 8.295 8.522 -0.227 25731 1047 1 6 . 1 1 148 148 ASP N N 148 126.756 126.756 127.044 -0.288 25731 1048 1 6 . 1 1 148 148 ASP H H 148 8.369 8.369 8.545 -0.176 25731 1049 1 6 . 1 1 151 151 ALA N N 151 125.461 125.461 124.372 1.089 25731 1050 1 6 . 1 1 151 151 ALA H H 151 7.407 7.407 7.462 -0.055 25731 1051 1 6 . 1 1 152 152 ILE N N 152 119.784 119.784 119.215 0.569 25731 1052 1 6 . 1 1 152 152 ILE H H 152 6.746 6.746 7.688 -0.942 25731 1053 1 6 . 1 1 158 158 LEU N N 158 127.511 127.511 127.399 0.112 25731 1054 1 6 . 1 1 158 158 LEU H H 158 8.058 8.058 8.068 -0.010 25731 1055 1 6 . 1 1 161 161 ALA N N 161 125.207 125.207 121.701 3.506 25731 1056 1 6 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 1057 1 6 . 1 1 162 162 ASP N N 162 110.996 110.996 113.749 -2.753 25731 1058 1 6 . 1 1 162 162 ASP H H 162 7.475 7.475 7.884 -0.409 25731 1059 1 6 . 1 1 181 181 THR N N 181 111.899 111.899 120.529 -8.630 25731 1060 1 6 . 1 1 181 181 THR H H 181 8.354 8.354 8.470 -0.116 25731 1061 1 6 . 1 1 206 206 GLY N N 206 117.211 117.211 107.920 9.291 25731 1062 1 6 . 1 1 206 206 GLY H H 206 10.135 10.135 8.718 1.417 25731 1063 1 6 . 1 1 207 207 SER N N 207 112.839 112.839 112.463 0.376 25731 1064 1 6 . 1 1 207 207 SER H H 207 7.865 7.865 7.527 0.338 25731 1065 1 6 . 1 1 208 208 VAL N N 208 128.351 128.351 121.100 7.251 25731 1066 1 6 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 1067 1 6 . 1 1 209 209 THR N N 209 113.459 113.459 114.589 -1.130 25731 1068 1 6 . 1 1 209 209 THR H H 209 9.742 9.742 8.094 1.648 25731 1069 1 6 . 1 1 210 210 SER N N 210 114.577 114.577 112.896 1.681 25731 1070 1 6 . 1 1 210 210 SER H H 210 7.630 7.630 8.438 -0.808 25731 1071 1 6 . 1 1 212 212 VAL N N 212 119.189 119.189 120.216 -1.027 25731 1072 1 6 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 1073 1 6 . 1 1 213 213 LYS N N 213 124.796 124.796 124.295 0.501 25731 1074 1 6 . 1 1 213 213 LYS H H 213 8.871 8.871 9.623 -0.752 25731 1075 1 6 . 1 1 214 214 ASN N N 214 118.397 118.397 120.372 -1.975 25731 1076 1 6 . 1 1 214 214 ASN H H 214 8.508 8.508 8.387 0.121 25731 1077 1 6 . 1 1 220 220 LEU N N 220 130.815 130.815 128.797 2.018 25731 1078 1 6 . 1 1 220 220 LEU H H 220 9.089 9.089 8.356 0.733 25731 1079 1 6 . 1 1 222 222 ALA N N 222 128.761 128.761 120.226 8.535 25731 1080 1 6 . 1 1 222 222 ALA H H 222 8.440 8.440 8.558 -0.118 25731 1081 1 6 . 1 1 229 229 VAL N N 229 123.649 123.649 125.143 -1.494 25731 1082 1 6 . 1 1 229 229 VAL H H 229 8.483 8.483 8.637 -0.154 25731 1083 1 6 . 1 1 230 230 ASN N N 230 124.668 124.668 125.809 -1.141 25731 1084 1 6 . 1 1 230 230 ASN H H 230 10.129 10.129 8.530 1.599 25731 1085 1 6 . 1 1 232 232 THR N N 232 109.569 109.569 115.609 -6.040 25731 1086 1 6 . 1 1 232 232 THR H H 232 7.786 7.786 8.072 -0.286 25731 1087 1 6 . 1 1 283 283 GLY N N 283 107.398 107.398 107.155 0.243 25731 1088 1 6 . 1 1 283 283 GLY H H 283 8.129 8.129 8.304 -0.175 25731 1089 1 6 . 1 1 288 288 GLY N N 288 106.551 106.551 107.018 -0.467 25731 1090 1 6 . 1 1 288 288 GLY H H 288 7.774 7.774 7.499 0.275 25731 1091 1 6 . 1 1 291 291 GLY N N 291 106.112 106.112 104.610 1.502 25731 1092 1 6 . 1 1 291 291 GLY H H 291 7.360 7.360 7.476 -0.116 25731 1093 1 6 . 1 1 330 330 ILE N N 330 125.891 125.891 128.575 -2.684 25731 1094 1 6 . 1 1 330 330 ILE H H 330 7.596 7.596 8.291 -0.695 25731 1095 1 6 . 1 1 331 331 VAL N N 331 130.011 130.011 128.131 1.880 25731 1096 1 6 . 1 1 331 331 VAL H H 331 8.978 8.978 8.902 0.076 25731 1097 1 6 . 1 1 332 332 ARG N N 332 128.386 128.386 128.589 -0.203 25731 1098 1 6 . 1 1 332 332 ARG H H 332 7.923 7.923 8.427 -0.504 25731 1099 1 6 . 1 1 368 368 GLU N N 368 120.295 120.295 118.380 1.915 25731 1100 1 6 . 1 1 368 368 GLU H H 368 9.831 9.831 8.792 1.039 25731 1101 1 6 . 1 1 370 370 LEU N N 370 121.704 121.704 121.785 -0.081 25731 1102 1 6 . 1 1 370 370 LEU H H 370 6.739 6.739 7.600 -0.861 25731 1103 1 6 . 1 1 373 373 GLN N N 373 115.819 115.819 120.586 -4.767 25731 1104 1 6 . 1 1 373 373 GLN H H 373 7.260 7.260 7.792 -0.532 25731 1105 1 6 . 1 1 384 384 GLY N N 384 106.461 106.461 106.003 0.458 25731 1106 1 6 . 1 1 384 384 GLY H H 384 7.286 7.286 7.304 -0.018 25731 1107 1 6 . 1 1 386 386 LEU N N 386 126.834 126.834 126.987 -0.153 25731 1108 1 6 . 1 1 386 386 LEU H H 386 9.300 9.300 8.148 1.152 25731 1109 1 6 . 1 1 399 399 VAL N N 399 117.218 117.218 119.097 -1.879 25731 1110 1 6 . 1 1 399 399 VAL H H 399 6.947 6.947 7.352 -0.405 25731 1111 1 6 . 1 1 419 419 ALA N N 419 125.187 125.187 127.531 -2.344 25731 1112 1 6 . 1 1 419 419 ALA H H 419 8.324 8.324 8.625 -0.301 25731 1113 1 6 . 1 1 420 420 PHE N N 420 110.844 110.844 115.935 -5.091 25731 1114 1 6 . 1 1 420 420 PHE H H 420 7.151 7.151 7.544 -0.393 25731 1115 1 6 . 1 1 422 422 GLU N N 422 127.390 127.390 125.665 1.725 25731 1116 1 6 . 1 1 422 422 GLU H H 422 8.442 8.442 8.632 -0.190 25731 1117 1 6 . 1 1 423 423 SER N N 423 115.144 115.144 114.501 0.643 25731 1118 1 6 . 1 1 423 423 SER H H 423 8.591 8.591 7.984 0.607 25731 1119 1 6 . 1 1 425 425 GLU N N 425 128.863 128.863 128.485 0.378 25731 1120 1 6 . 1 1 425 425 GLU H H 425 8.779 8.779 8.699 0.080 25731 1121 1 6 . 1 1 426 426 ILE N N 426 122.399 122.399 121.518 0.881 25731 1122 1 6 . 1 1 426 426 ILE H H 426 9.634 9.634 8.181 1.453 25731 1123 1 6 . 1 1 427 427 GLY N N 427 116.513 116.513 112.233 4.280 25731 1124 1 6 . 1 1 427 427 GLY H H 427 9.038 9.038 8.513 0.525 25731 1125 1 6 . 1 1 475 475 GLN N N 475 126.671 126.671 127.092 -0.421 25731 1126 1 6 . 1 1 475 475 GLN H H 475 5.948 5.948 7.654 -1.706 25731 1127 1 6 . 1 1 481 481 VAL N N 481 123.573 123.573 122.717 0.856 25731 1128 1 6 . 1 1 481 481 VAL H H 481 6.827 6.827 7.320 -0.493 25731 1129 1 6 . 1 1 496 496 GLY N N 496 108.132 108.132 107.302 0.830 25731 1130 1 6 . 1 1 496 496 GLY H H 496 7.913 7.913 7.861 0.052 25731 1131 1 6 . 1 1 498 498 TRP N N 498 114.239 114.239 116.779 -2.540 25731 1132 1 6 . 1 1 498 498 TRP H H 498 6.657 6.657 7.786 -1.129 25731 1133 1 6 . 1 1 499 499 THR N N 499 115.578 115.578 117.610 -2.032 25731 1134 1 6 . 1 1 499 499 THR H H 499 9.872 9.872 9.489 0.383 25731 1135 1 6 . 1 1 557 557 THR N N 557 132.226 132.226 114.824 17.402 25731 1136 1 6 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 1137 1 6 . 1 1 558 558 THR N N 558 121.278 121.278 120.784 0.494 25731 1138 1 6 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 1139 1 6 . 1 1 559 559 ASP N N 559 121.304 121.304 121.128 0.176 25731 1140 1 6 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.604 25731 1141 1 7 . 1 1 4 4 GLY N N 4 109.068 109.068 111.167 -2.099 25731 1142 1 7 . 1 1 4 4 GLY H H 4 8.608 8.608 8.259 0.349 25731 1143 1 7 . 1 1 5 5 ILE N N 5 131.711 131.711 120.614 11.097 25731 1144 1 7 . 1 1 5 5 ILE H H 5 9.573 9.573 8.416 1.157 25731 1145 1 7 . 1 1 7 7 ALA N N 7 130.884 130.884 126.044 4.840 25731 1146 1 7 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 1147 1 7 . 1 1 8 8 SER N N 8 111.971 111.971 112.709 -0.738 25731 1148 1 7 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 1149 1 7 . 1 1 10 10 GLY N N 10 104.297 104.297 109.450 -5.153 25731 1150 1 7 . 1 1 10 10 GLY H H 10 6.261 6.261 7.922 -1.661 25731 1151 1 7 . 1 1 14 14 GLY N N 14 108.348 108.348 110.775 -2.427 25731 1152 1 7 . 1 1 14 14 GLY H H 14 8.294 8.294 8.043 0.251 25731 1153 1 7 . 1 1 18 18 LEU N N 18 129.007 129.007 126.969 2.038 25731 1154 1 7 . 1 1 18 18 LEU H H 18 8.839 8.839 8.462 0.377 25731 1155 1 7 . 1 1 19 19 LEU N N 19 129.235 129.235 129.340 -0.105 25731 1156 1 7 . 1 1 19 19 LEU H H 19 8.982 8.982 8.245 0.737 25731 1157 1 7 . 1 1 23 23 GLU N N 23 122.434 122.434 119.491 2.943 25731 1158 1 7 . 1 1 23 23 GLU H H 23 8.471 8.471 8.461 0.010 25731 1159 1 7 . 1 1 24 24 ILE N N 24 124.551 124.551 123.313 1.238 25731 1160 1 7 . 1 1 24 24 ILE H H 24 8.459 8.459 8.395 0.064 25731 1161 1 7 . 1 1 25 25 VAL N N 25 131.023 131.023 127.625 3.398 25731 1162 1 7 . 1 1 25 25 VAL H H 25 8.087 8.087 8.238 -0.151 25731 1163 1 7 . 1 1 26 26 ILE N N 26 126.563 126.563 126.672 -0.109 25731 1164 1 7 . 1 1 26 26 ILE H H 26 7.994 7.994 8.330 -0.336 25731 1165 1 7 . 1 1 27 27 ASP N N 27 128.838 128.838 127.715 1.123 25731 1166 1 7 . 1 1 27 27 ASP H H 27 9.479 9.479 8.487 0.992 25731 1167 1 7 . 1 1 28 28 ARG N N 28 124.609 124.609 123.764 0.845 25731 1168 1 7 . 1 1 28 28 ARG H H 28 8.299 8.299 7.943 0.356 25731 1169 1 7 . 1 1 29 29 LYS N N 29 123.043 123.043 121.078 1.965 25731 1170 1 7 . 1 1 29 29 LYS H H 29 8.152 8.152 7.604 0.548 25731 1171 1 7 . 1 1 30 30 LYS N N 30 123.947 123.947 122.885 1.062 25731 1172 1 7 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 1173 1 7 . 1 1 32 32 SER N N 32 114.432 114.432 116.743 -2.311 25731 1174 1 7 . 1 1 32 32 SER H H 32 8.102 8.102 9.191 -1.089 25731 1175 1 7 . 1 1 37 37 ASP N N 37 118.749 118.749 118.595 0.154 25731 1176 1 7 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 1177 1 7 . 1 1 40 40 VAL N N 40 122.242 122.242 120.139 2.103 25731 1178 1 7 . 1 1 40 40 VAL H H 40 8.817 8.817 8.049 0.768 25731 1179 1 7 . 1 1 41 41 GLU N N 41 119.003 119.003 120.102 -1.099 25731 1180 1 7 . 1 1 41 41 GLU H H 41 7.910 7.910 7.926 -0.016 25731 1181 1 7 . 1 1 45 45 SER N N 45 116.937 116.937 115.159 1.778 25731 1182 1 7 . 1 1 45 45 SER H H 45 9.073 9.073 8.830 0.243 25731 1183 1 7 . 1 1 46 46 GLY N N 46 111.188 111.188 109.376 1.812 25731 1184 1 7 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 1185 1 7 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 1186 1 7 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 1187 1 7 . 1 1 56 56 THR N N 56 116.925 116.925 115.808 1.117 25731 1188 1 7 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 1189 1 7 . 1 1 58 58 LYS N N 58 120.834 120.834 120.814 0.020 25731 1190 1 7 . 1 1 58 58 LYS H H 58 8.611 8.611 7.481 1.130 25731 1191 1 7 . 1 1 68 68 GLU N N 68 120.644 120.644 120.542 0.102 25731 1192 1 7 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 1193 1 7 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 1194 1 7 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 1195 1 7 . 1 1 75 75 GLY N N 75 106.782 106.782 108.615 -1.833 25731 1196 1 7 . 1 1 75 75 GLY H H 75 7.803 7.803 8.127 -0.324 25731 1197 1 7 . 1 1 81 81 GLU N N 81 113.885 113.885 114.913 -1.028 25731 1198 1 7 . 1 1 81 81 GLU H H 81 7.963 7.963 7.796 0.167 25731 1199 1 7 . 1 1 83 83 GLU N N 83 129.401 129.401 127.074 2.327 25731 1200 1 7 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 1201 1 7 . 1 1 92 92 LEU N N 92 118.295 118.295 119.108 -0.813 25731 1202 1 7 . 1 1 92 92 LEU H H 92 7.422 7.422 7.588 -0.166 25731 1203 1 7 . 1 1 93 93 ILE N N 93 120.627 120.627 120.054 0.573 25731 1204 1 7 . 1 1 93 93 ILE H H 93 7.601 7.601 7.535 0.066 25731 1205 1 7 . 1 1 94 94 LYS N N 94 115.650 115.650 118.423 -2.773 25731 1206 1 7 . 1 1 94 94 LYS H H 94 8.498 8.498 8.220 0.278 25731 1207 1 7 . 1 1 96 96 LYS N N 96 115.886 115.886 116.401 -0.515 25731 1208 1 7 . 1 1 96 96 LYS H H 96 7.154 7.154 8.064 -0.910 25731 1209 1 7 . 1 1 100 100 ALA N N 100 121.819 121.819 124.426 -2.607 25731 1210 1 7 . 1 1 100 100 ALA H H 100 10.542 10.542 8.261 2.281 25731 1211 1 7 . 1 1 101 101 ASP N N 101 109.661 109.661 117.288 -7.627 25731 1212 1 7 . 1 1 101 101 ASP H H 101 9.437 9.437 8.741 0.696 25731 1213 1 7 . 1 1 104 104 ALA N N 104 118.118 118.118 120.886 -2.768 25731 1214 1 7 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 1215 1 7 . 1 1 110 110 GLY N N 110 108.385 108.385 107.911 0.474 25731 1216 1 7 . 1 1 110 110 GLY H H 110 7.984 7.984 8.479 -0.495 25731 1217 1 7 . 1 1 113 113 SER N N 113 112.590 112.590 114.887 -2.297 25731 1218 1 7 . 1 1 113 113 SER H H 113 8.406 8.406 8.465 -0.059 25731 1219 1 7 . 1 1 115 115 LEU N N 115 118.313 118.313 118.536 -0.223 25731 1220 1 7 . 1 1 115 115 LEU H H 115 7.467 7.467 7.903 -0.436 25731 1221 1 7 . 1 1 116 116 GLU N N 116 116.378 116.378 120.069 -3.691 25731 1222 1 7 . 1 1 116 116 GLU H H 116 7.756 7.756 8.033 -0.277 25731 1223 1 7 . 1 1 117 117 GLU N N 117 117.307 117.307 116.692 0.615 25731 1224 1 7 . 1 1 117 117 GLU H H 117 7.446 7.446 7.519 -0.073 25731 1225 1 7 . 1 1 118 118 LEU N N 118 119.474 119.474 121.624 -2.150 25731 1226 1 7 . 1 1 118 118 LEU H H 118 7.218 7.218 7.520 -0.302 25731 1227 1 7 . 1 1 122 122 TYR N N 122 119.867 119.867 120.488 -0.621 25731 1228 1 7 . 1 1 122 122 TYR H H 122 8.258 8.258 8.539 -0.281 25731 1229 1 7 . 1 1 134 134 GLY N N 134 109.570 109.570 106.470 3.100 25731 1230 1 7 . 1 1 134 134 GLY H H 134 8.746 8.746 7.638 1.108 25731 1231 1 7 . 1 1 138 138 LEU N N 138 119.451 119.451 118.545 0.906 25731 1232 1 7 . 1 1 138 138 LEU H H 138 8.921 8.921 7.740 1.181 25731 1233 1 7 . 1 1 143 143 GLY N N 143 109.192 109.192 105.056 4.136 25731 1234 1 7 . 1 1 143 143 GLY H H 143 7.673 7.673 8.170 -0.497 25731 1235 1 7 . 1 1 146 146 ILE N N 146 126.426 126.426 125.591 0.835 25731 1236 1 7 . 1 1 146 146 ILE H H 146 8.295 8.295 8.500 -0.205 25731 1237 1 7 . 1 1 148 148 ASP N N 148 126.756 126.756 127.041 -0.285 25731 1238 1 7 . 1 1 148 148 ASP H H 148 8.369 8.369 8.488 -0.119 25731 1239 1 7 . 1 1 151 151 ALA N N 151 125.461 125.461 124.375 1.086 25731 1240 1 7 . 1 1 151 151 ALA H H 151 7.407 7.407 7.450 -0.043 25731 1241 1 7 . 1 1 152 152 ILE N N 152 119.784 119.784 119.223 0.561 25731 1242 1 7 . 1 1 152 152 ILE H H 152 6.746 6.746 7.692 -0.946 25731 1243 1 7 . 1 1 158 158 LEU N N 158 127.511 127.511 127.389 0.122 25731 1244 1 7 . 1 1 158 158 LEU H H 158 8.058 8.058 8.068 -0.010 25731 1245 1 7 . 1 1 161 161 ALA N N 161 125.207 125.207 121.704 3.503 25731 1246 1 7 . 1 1 161 161 ALA H H 161 9.201 9.201 8.865 0.336 25731 1247 1 7 . 1 1 162 162 ASP N N 162 110.996 110.996 113.755 -2.759 25731 1248 1 7 . 1 1 162 162 ASP H H 162 7.475 7.475 7.885 -0.410 25731 1249 1 7 . 1 1 181 181 THR N N 181 111.899 111.899 120.528 -8.629 25731 1250 1 7 . 1 1 181 181 THR H H 181 8.354 8.354 8.470 -0.116 25731 1251 1 7 . 1 1 206 206 GLY N N 206 117.211 117.211 107.921 9.290 25731 1252 1 7 . 1 1 206 206 GLY H H 206 10.135 10.135 8.717 1.418 25731 1253 1 7 . 1 1 207 207 SER N N 207 112.839 112.839 112.468 0.371 25731 1254 1 7 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 1255 1 7 . 1 1 208 208 VAL N N 208 128.351 128.351 121.097 7.254 25731 1256 1 7 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 1257 1 7 . 1 1 209 209 THR N N 209 113.459 113.459 114.583 -1.124 25731 1258 1 7 . 1 1 209 209 THR H H 209 9.742 9.742 8.093 1.649 25731 1259 1 7 . 1 1 210 210 SER N N 210 114.577 114.577 112.888 1.689 25731 1260 1 7 . 1 1 210 210 SER H H 210 7.630 7.630 8.438 -0.808 25731 1261 1 7 . 1 1 212 212 VAL N N 212 119.189 119.189 120.210 -1.021 25731 1262 1 7 . 1 1 212 212 VAL H H 212 7.299 7.299 7.463 -0.164 25731 1263 1 7 . 1 1 213 213 LYS N N 213 124.796 124.796 124.303 0.493 25731 1264 1 7 . 1 1 213 213 LYS H H 213 8.871 8.871 9.622 -0.751 25731 1265 1 7 . 1 1 214 214 ASN N N 214 118.397 118.397 120.357 -1.960 25731 1266 1 7 . 1 1 214 214 ASN H H 214 8.508 8.508 8.391 0.117 25731 1267 1 7 . 1 1 220 220 LEU N N 220 130.815 130.815 128.892 1.923 25731 1268 1 7 . 1 1 220 220 LEU H H 220 9.089 9.089 8.352 0.737 25731 1269 1 7 . 1 1 222 222 ALA N N 222 128.761 128.761 120.152 8.609 25731 1270 1 7 . 1 1 222 222 ALA H H 222 8.440 8.440 8.551 -0.111 25731 1271 1 7 . 1 1 229 229 VAL N N 229 123.649 123.649 125.095 -1.446 25731 1272 1 7 . 1 1 229 229 VAL H H 229 8.483 8.483 8.636 -0.153 25731 1273 1 7 . 1 1 230 230 ASN N N 230 124.668 124.668 125.791 -1.123 25731 1274 1 7 . 1 1 230 230 ASN H H 230 10.129 10.129 8.531 1.598 25731 1275 1 7 . 1 1 232 232 THR N N 232 109.569 109.569 115.625 -6.056 25731 1276 1 7 . 1 1 232 232 THR H H 232 7.786 7.786 8.077 -0.291 25731 1277 1 7 . 1 1 283 283 GLY N N 283 107.398 107.398 107.157 0.241 25731 1278 1 7 . 1 1 283 283 GLY H H 283 8.129 8.129 8.305 -0.176 25731 1279 1 7 . 1 1 288 288 GLY N N 288 106.551 106.551 107.179 -0.628 25731 1280 1 7 . 1 1 288 288 GLY H H 288 7.774 7.774 7.555 0.219 25731 1281 1 7 . 1 1 291 291 GLY N N 291 106.112 106.112 104.927 1.185 25731 1282 1 7 . 1 1 291 291 GLY H H 291 7.360 7.360 7.475 -0.115 25731 1283 1 7 . 1 1 330 330 ILE N N 330 125.891 125.891 128.571 -2.680 25731 1284 1 7 . 1 1 330 330 ILE H H 330 7.596 7.596 8.290 -0.694 25731 1285 1 7 . 1 1 331 331 VAL N N 331 130.011 130.011 128.126 1.885 25731 1286 1 7 . 1 1 331 331 VAL H H 331 8.978 8.978 8.902 0.076 25731 1287 1 7 . 1 1 332 332 ARG N N 332 128.386 128.386 128.580 -0.194 25731 1288 1 7 . 1 1 332 332 ARG H H 332 7.923 7.923 8.430 -0.507 25731 1289 1 7 . 1 1 368 368 GLU N N 368 120.295 120.295 118.404 1.891 25731 1290 1 7 . 1 1 368 368 GLU H H 368 9.831 9.831 8.792 1.039 25731 1291 1 7 . 1 1 370 370 LEU N N 370 121.704 121.704 121.781 -0.077 25731 1292 1 7 . 1 1 370 370 LEU H H 370 6.739 6.739 7.600 -0.861 25731 1293 1 7 . 1 1 373 373 GLN N N 373 115.819 115.819 120.585 -4.766 25731 1294 1 7 . 1 1 373 373 GLN H H 373 7.260 7.260 7.791 -0.531 25731 1295 1 7 . 1 1 384 384 GLY N N 384 106.461 106.461 106.002 0.459 25731 1296 1 7 . 1 1 384 384 GLY H H 384 7.286 7.286 7.304 -0.018 25731 1297 1 7 . 1 1 386 386 LEU N N 386 126.834 126.834 126.988 -0.154 25731 1298 1 7 . 1 1 386 386 LEU H H 386 9.300 9.300 8.148 1.152 25731 1299 1 7 . 1 1 399 399 VAL N N 399 117.218 117.218 119.096 -1.878 25731 1300 1 7 . 1 1 399 399 VAL H H 399 6.947 6.947 7.352 -0.405 25731 1301 1 7 . 1 1 419 419 ALA N N 419 125.187 125.187 127.524 -2.337 25731 1302 1 7 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 1303 1 7 . 1 1 420 420 PHE N N 420 110.844 110.844 115.938 -5.094 25731 1304 1 7 . 1 1 420 420 PHE H H 420 7.151 7.151 7.540 -0.389 25731 1305 1 7 . 1 1 422 422 GLU N N 422 127.390 127.390 125.666 1.724 25731 1306 1 7 . 1 1 422 422 GLU H H 422 8.442 8.442 8.634 -0.192 25731 1307 1 7 . 1 1 423 423 SER N N 423 115.144 115.144 114.504 0.640 25731 1308 1 7 . 1 1 423 423 SER H H 423 8.591 8.591 7.984 0.607 25731 1309 1 7 . 1 1 425 425 GLU N N 425 128.863 128.863 128.471 0.392 25731 1310 1 7 . 1 1 425 425 GLU H H 425 8.779 8.779 8.699 0.080 25731 1311 1 7 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 1312 1 7 . 1 1 426 426 ILE H H 426 9.634 9.634 8.181 1.453 25731 1313 1 7 . 1 1 427 427 GLY N N 427 116.513 116.513 112.233 4.280 25731 1314 1 7 . 1 1 427 427 GLY H H 427 9.038 9.038 8.514 0.524 25731 1315 1 7 . 1 1 475 475 GLN N N 475 126.671 126.671 127.094 -0.423 25731 1316 1 7 . 1 1 475 475 GLN H H 475 5.948 5.948 7.654 -1.706 25731 1317 1 7 . 1 1 481 481 VAL N N 481 123.573 123.573 122.714 0.859 25731 1318 1 7 . 1 1 481 481 VAL H H 481 6.827 6.827 7.320 -0.493 25731 1319 1 7 . 1 1 496 496 GLY N N 496 108.132 108.132 107.312 0.820 25731 1320 1 7 . 1 1 496 496 GLY H H 496 7.913 7.913 7.859 0.054 25731 1321 1 7 . 1 1 498 498 TRP N N 498 114.239 114.239 116.780 -2.541 25731 1322 1 7 . 1 1 498 498 TRP H H 498 6.657 6.657 7.785 -1.128 25731 1323 1 7 . 1 1 499 499 THR N N 499 115.578 115.578 117.609 -2.031 25731 1324 1 7 . 1 1 499 499 THR H H 499 9.872 9.872 9.486 0.386 25731 1325 1 7 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 1326 1 7 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 1327 1 7 . 1 1 558 558 THR N N 558 121.278 121.278 120.786 0.492 25731 1328 1 7 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 1329 1 7 . 1 1 559 559 ASP N N 559 121.304 121.304 121.129 0.175 25731 1330 1 7 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.604 25731 1331 1 8 . 1 1 4 4 GLY N N 4 109.068 109.068 111.167 -2.099 25731 1332 1 8 . 1 1 4 4 GLY H H 4 8.608 8.608 8.257 0.351 25731 1333 1 8 . 1 1 5 5 ILE N N 5 131.711 131.711 120.613 11.098 25731 1334 1 8 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 1335 1 8 . 1 1 7 7 ALA N N 7 130.884 130.884 126.048 4.836 25731 1336 1 8 . 1 1 7 7 ALA H H 7 7.841 7.841 8.531 -0.690 25731 1337 1 8 . 1 1 8 8 SER N N 8 111.971 111.971 112.717 -0.746 25731 1338 1 8 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 1339 1 8 . 1 1 10 10 GLY N N 10 104.297 104.297 109.431 -5.134 25731 1340 1 8 . 1 1 10 10 GLY H H 10 6.261 6.261 7.919 -1.658 25731 1341 1 8 . 1 1 14 14 GLY N N 14 108.348 108.348 111.141 -2.793 25731 1342 1 8 . 1 1 14 14 GLY H H 14 8.294 8.294 8.233 0.061 25731 1343 1 8 . 1 1 18 18 LEU N N 18 129.007 129.007 126.966 2.041 25731 1344 1 8 . 1 1 18 18 LEU H H 18 8.839 8.839 8.465 0.374 25731 1345 1 8 . 1 1 19 19 LEU N N 19 129.235 129.235 128.781 0.454 25731 1346 1 8 . 1 1 19 19 LEU H H 19 8.982 8.982 8.259 0.723 25731 1347 1 8 . 1 1 23 23 GLU N N 23 122.434 122.434 119.204 3.230 25731 1348 1 8 . 1 1 23 23 GLU H H 23 8.471 8.471 8.458 0.013 25731 1349 1 8 . 1 1 24 24 ILE N N 24 124.551 124.551 122.959 1.592 25731 1350 1 8 . 1 1 24 24 ILE H H 24 8.459 8.459 8.380 0.079 25731 1351 1 8 . 1 1 25 25 VAL N N 25 131.023 131.023 127.432 3.591 25731 1352 1 8 . 1 1 25 25 VAL H H 25 8.087 8.087 8.230 -0.143 25731 1353 1 8 . 1 1 26 26 ILE N N 26 126.563 126.563 126.647 -0.084 25731 1354 1 8 . 1 1 26 26 ILE H H 26 7.994 7.994 8.336 -0.342 25731 1355 1 8 . 1 1 27 27 ASP N N 27 128.838 128.838 127.718 1.120 25731 1356 1 8 . 1 1 27 27 ASP H H 27 9.479 9.479 8.490 0.989 25731 1357 1 8 . 1 1 28 28 ARG N N 28 124.609 124.609 123.759 0.850 25731 1358 1 8 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 1359 1 8 . 1 1 29 29 LYS N N 29 123.043 123.043 121.076 1.967 25731 1360 1 8 . 1 1 29 29 LYS H H 29 8.152 8.152 7.604 0.548 25731 1361 1 8 . 1 1 30 30 LYS N N 30 123.947 123.947 122.883 1.064 25731 1362 1 8 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 1363 1 8 . 1 1 32 32 SER N N 32 114.432 114.432 116.744 -2.312 25731 1364 1 8 . 1 1 32 32 SER H H 32 8.102 8.102 9.191 -1.089 25731 1365 1 8 . 1 1 37 37 ASP N N 37 118.749 118.749 118.593 0.156 25731 1366 1 8 . 1 1 37 37 ASP H H 37 8.539 8.539 7.950 0.589 25731 1367 1 8 . 1 1 40 40 VAL N N 40 122.242 122.242 120.136 2.106 25731 1368 1 8 . 1 1 40 40 VAL H H 40 8.817 8.817 8.047 0.770 25731 1369 1 8 . 1 1 41 41 GLU N N 41 119.003 119.003 120.106 -1.103 25731 1370 1 8 . 1 1 41 41 GLU H H 41 7.910 7.910 7.928 -0.018 25731 1371 1 8 . 1 1 45 45 SER N N 45 116.937 116.937 115.163 1.774 25731 1372 1 8 . 1 1 45 45 SER H H 45 9.073 9.073 8.830 0.243 25731 1373 1 8 . 1 1 46 46 GLY N N 46 111.188 111.188 109.374 1.814 25731 1374 1 8 . 1 1 46 46 GLY H H 46 7.990 7.990 8.647 -0.657 25731 1375 1 8 . 1 1 47 47 ARG N N 47 123.155 123.155 121.985 1.170 25731 1376 1 8 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 1377 1 8 . 1 1 56 56 THR N N 56 116.925 116.925 115.808 1.117 25731 1378 1 8 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 1379 1 8 . 1 1 58 58 LYS N N 58 120.834 120.834 120.815 0.019 25731 1380 1 8 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 1381 1 8 . 1 1 68 68 GLU N N 68 120.644 120.644 120.548 0.096 25731 1382 1 8 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 1383 1 8 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 1384 1 8 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 1385 1 8 . 1 1 75 75 GLY N N 75 106.782 106.782 108.612 -1.830 25731 1386 1 8 . 1 1 75 75 GLY H H 75 7.803 7.803 8.127 -0.324 25731 1387 1 8 . 1 1 81 81 GLU N N 81 113.885 113.885 114.913 -1.028 25731 1388 1 8 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 1389 1 8 . 1 1 83 83 GLU N N 83 129.401 129.401 127.075 2.326 25731 1390 1 8 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 1391 1 8 . 1 1 92 92 LEU N N 92 118.295 118.295 119.105 -0.810 25731 1392 1 8 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 1393 1 8 . 1 1 93 93 ILE N N 93 120.627 120.627 120.059 0.568 25731 1394 1 8 . 1 1 93 93 ILE H H 93 7.601 7.601 7.535 0.066 25731 1395 1 8 . 1 1 94 94 LYS N N 94 115.650 115.650 118.429 -2.779 25731 1396 1 8 . 1 1 94 94 LYS H H 94 8.498 8.498 8.222 0.276 25731 1397 1 8 . 1 1 96 96 LYS N N 96 115.886 115.886 116.397 -0.511 25731 1398 1 8 . 1 1 96 96 LYS H H 96 7.154 7.154 8.065 -0.911 25731 1399 1 8 . 1 1 100 100 ALA N N 100 121.819 121.819 124.425 -2.606 25731 1400 1 8 . 1 1 100 100 ALA H H 100 10.542 10.542 8.262 2.280 25731 1401 1 8 . 1 1 101 101 ASP N N 101 109.661 109.661 117.290 -7.629 25731 1402 1 8 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 1403 1 8 . 1 1 104 104 ALA N N 104 118.118 118.118 120.875 -2.757 25731 1404 1 8 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 1405 1 8 . 1 1 110 110 GLY N N 110 108.385 108.385 107.914 0.471 25731 1406 1 8 . 1 1 110 110 GLY H H 110 7.984 7.984 8.498 -0.514 25731 1407 1 8 . 1 1 113 113 SER N N 113 112.590 112.590 114.932 -2.342 25731 1408 1 8 . 1 1 113 113 SER H H 113 8.406 8.406 8.566 -0.160 25731 1409 1 8 . 1 1 115 115 LEU N N 115 118.313 118.313 118.535 -0.222 25731 1410 1 8 . 1 1 115 115 LEU H H 115 7.467 7.467 7.906 -0.439 25731 1411 1 8 . 1 1 116 116 GLU N N 116 116.378 116.378 120.069 -3.691 25731 1412 1 8 . 1 1 116 116 GLU H H 116 7.756 7.756 8.038 -0.282 25731 1413 1 8 . 1 1 117 117 GLU N N 117 117.307 117.307 116.666 0.641 25731 1414 1 8 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 1415 1 8 . 1 1 118 118 LEU N N 118 119.474 119.474 121.644 -2.170 25731 1416 1 8 . 1 1 118 118 LEU H H 118 7.218 7.218 7.521 -0.303 25731 1417 1 8 . 1 1 122 122 TYR N N 122 119.867 119.867 120.487 -0.620 25731 1418 1 8 . 1 1 122 122 TYR H H 122 8.258 8.258 8.536 -0.278 25731 1419 1 8 . 1 1 134 134 GLY N N 134 109.570 109.570 106.462 3.108 25731 1420 1 8 . 1 1 134 134 GLY H H 134 8.746 8.746 7.629 1.117 25731 1421 1 8 . 1 1 138 138 LEU N N 138 119.451 119.451 118.548 0.903 25731 1422 1 8 . 1 1 138 138 LEU H H 138 8.921 8.921 7.733 1.188 25731 1423 1 8 . 1 1 143 143 GLY N N 143 109.192 109.192 105.372 3.820 25731 1424 1 8 . 1 1 143 143 GLY H H 143 7.673 7.673 8.184 -0.511 25731 1425 1 8 . 1 1 146 146 ILE N N 146 126.426 126.426 124.920 1.506 25731 1426 1 8 . 1 1 146 146 ILE H H 146 8.295 8.295 8.713 -0.418 25731 1427 1 8 . 1 1 148 148 ASP N N 148 126.756 126.756 127.053 -0.297 25731 1428 1 8 . 1 1 148 148 ASP H H 148 8.369 8.369 8.405 -0.036 25731 1429 1 8 . 1 1 151 151 ALA N N 151 125.461 125.461 124.410 1.051 25731 1430 1 8 . 1 1 151 151 ALA H H 151 7.407 7.407 7.457 -0.050 25731 1431 1 8 . 1 1 152 152 ILE N N 152 119.784 119.784 119.224 0.560 25731 1432 1 8 . 1 1 152 152 ILE H H 152 6.746 6.746 7.692 -0.946 25731 1433 1 8 . 1 1 158 158 LEU N N 158 127.511 127.511 127.418 0.093 25731 1434 1 8 . 1 1 158 158 LEU H H 158 8.058 8.058 8.075 -0.017 25731 1435 1 8 . 1 1 161 161 ALA N N 161 125.207 125.207 121.699 3.508 25731 1436 1 8 . 1 1 161 161 ALA H H 161 9.201 9.201 8.866 0.335 25731 1437 1 8 . 1 1 162 162 ASP N N 162 110.996 110.996 113.752 -2.756 25731 1438 1 8 . 1 1 162 162 ASP H H 162 7.475 7.475 7.886 -0.411 25731 1439 1 8 . 1 1 181 181 THR N N 181 111.899 111.899 120.533 -8.634 25731 1440 1 8 . 1 1 181 181 THR H H 181 8.354 8.354 8.470 -0.116 25731 1441 1 8 . 1 1 206 206 GLY N N 206 117.211 117.211 107.920 9.291 25731 1442 1 8 . 1 1 206 206 GLY H H 206 10.135 10.135 8.716 1.419 25731 1443 1 8 . 1 1 207 207 SER N N 207 112.839 112.839 112.473 0.366 25731 1444 1 8 . 1 1 207 207 SER H H 207 7.865 7.865 7.527 0.338 25731 1445 1 8 . 1 1 208 208 VAL N N 208 128.351 128.351 121.094 7.257 25731 1446 1 8 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 1447 1 8 . 1 1 209 209 THR N N 209 113.459 113.459 114.583 -1.124 25731 1448 1 8 . 1 1 209 209 THR H H 209 9.742 9.742 8.093 1.649 25731 1449 1 8 . 1 1 210 210 SER N N 210 114.577 114.577 112.889 1.688 25731 1450 1 8 . 1 1 210 210 SER H H 210 7.630 7.630 8.437 -0.807 25731 1451 1 8 . 1 1 212 212 VAL N N 212 119.189 119.189 120.212 -1.023 25731 1452 1 8 . 1 1 212 212 VAL H H 212 7.299 7.299 7.462 -0.163 25731 1453 1 8 . 1 1 213 213 LYS N N 213 124.796 124.796 124.312 0.484 25731 1454 1 8 . 1 1 213 213 LYS H H 213 8.871 8.871 9.618 -0.747 25731 1455 1 8 . 1 1 214 214 ASN N N 214 118.397 118.397 120.339 -1.942 25731 1456 1 8 . 1 1 214 214 ASN H H 214 8.508 8.508 8.393 0.115 25731 1457 1 8 . 1 1 220 220 LEU N N 220 130.815 130.815 128.858 1.957 25731 1458 1 8 . 1 1 220 220 LEU H H 220 9.089 9.089 8.341 0.748 25731 1459 1 8 . 1 1 222 222 ALA N N 222 128.761 128.761 120.181 8.580 25731 1460 1 8 . 1 1 222 222 ALA H H 222 8.440 8.440 8.547 -0.107 25731 1461 1 8 . 1 1 229 229 VAL N N 229 123.649 123.649 125.068 -1.419 25731 1462 1 8 . 1 1 229 229 VAL H H 229 8.483 8.483 8.623 -0.140 25731 1463 1 8 . 1 1 230 230 ASN N N 230 124.668 124.668 125.778 -1.110 25731 1464 1 8 . 1 1 230 230 ASN H H 230 10.129 10.129 8.517 1.612 25731 1465 1 8 . 1 1 232 232 THR N N 232 109.569 109.569 115.606 -6.037 25731 1466 1 8 . 1 1 232 232 THR H H 232 7.786 7.786 8.084 -0.298 25731 1467 1 8 . 1 1 283 283 GLY N N 283 107.398 107.398 107.158 0.240 25731 1468 1 8 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 1469 1 8 . 1 1 288 288 GLY N N 288 106.551 106.551 107.469 -0.918 25731 1470 1 8 . 1 1 288 288 GLY H H 288 7.774 7.774 7.569 0.205 25731 1471 1 8 . 1 1 291 291 GLY N N 291 106.112 106.112 104.657 1.455 25731 1472 1 8 . 1 1 291 291 GLY H H 291 7.360 7.360 7.404 -0.044 25731 1473 1 8 . 1 1 330 330 ILE N N 330 125.891 125.891 128.538 -2.647 25731 1474 1 8 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 1475 1 8 . 1 1 331 331 VAL N N 331 130.011 130.011 128.108 1.903 25731 1476 1 8 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 1477 1 8 . 1 1 332 332 ARG N N 332 128.386 128.386 128.588 -0.202 25731 1478 1 8 . 1 1 332 332 ARG H H 332 7.923 7.923 8.451 -0.528 25731 1479 1 8 . 1 1 368 368 GLU N N 368 120.295 120.295 118.293 2.002 25731 1480 1 8 . 1 1 368 368 GLU H H 368 9.831 9.831 8.788 1.043 25731 1481 1 8 . 1 1 370 370 LEU N N 370 121.704 121.704 121.808 -0.104 25731 1482 1 8 . 1 1 370 370 LEU H H 370 6.739 6.739 7.599 -0.860 25731 1483 1 8 . 1 1 373 373 GLN N N 373 115.819 115.819 120.584 -4.765 25731 1484 1 8 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 1485 1 8 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 1486 1 8 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.016 25731 1487 1 8 . 1 1 386 386 LEU N N 386 126.834 126.834 126.984 -0.150 25731 1488 1 8 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 1489 1 8 . 1 1 399 399 VAL N N 399 117.218 117.218 119.103 -1.885 25731 1490 1 8 . 1 1 399 399 VAL H H 399 6.947 6.947 7.359 -0.412 25731 1491 1 8 . 1 1 419 419 ALA N N 419 125.187 125.187 127.529 -2.342 25731 1492 1 8 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 1493 1 8 . 1 1 420 420 PHE N N 420 110.844 110.844 115.935 -5.091 25731 1494 1 8 . 1 1 420 420 PHE H H 420 7.151 7.151 7.544 -0.393 25731 1495 1 8 . 1 1 422 422 GLU N N 422 127.390 127.390 125.666 1.724 25731 1496 1 8 . 1 1 422 422 GLU H H 422 8.442 8.442 8.633 -0.191 25731 1497 1 8 . 1 1 423 423 SER N N 423 115.144 115.144 114.503 0.641 25731 1498 1 8 . 1 1 423 423 SER H H 423 8.591 8.591 7.984 0.607 25731 1499 1 8 . 1 1 425 425 GLU N N 425 128.863 128.863 128.464 0.399 25731 1500 1 8 . 1 1 425 425 GLU H H 425 8.779 8.779 8.700 0.079 25731 1501 1 8 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 1502 1 8 . 1 1 426 426 ILE H H 426 9.634 9.634 8.183 1.451 25731 1503 1 8 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 1504 1 8 . 1 1 427 427 GLY H H 427 9.038 9.038 8.518 0.520 25731 1505 1 8 . 1 1 475 475 GLN N N 475 126.671 126.671 127.072 -0.401 25731 1506 1 8 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 1507 1 8 . 1 1 481 481 VAL N N 481 123.573 123.573 122.718 0.855 25731 1508 1 8 . 1 1 481 481 VAL H H 481 6.827 6.827 7.319 -0.492 25731 1509 1 8 . 1 1 496 496 GLY N N 496 108.132 108.132 107.313 0.819 25731 1510 1 8 . 1 1 496 496 GLY H H 496 7.913 7.913 7.859 0.054 25731 1511 1 8 . 1 1 498 498 TRP N N 498 114.239 114.239 116.750 -2.511 25731 1512 1 8 . 1 1 498 498 TRP H H 498 6.657 6.657 7.780 -1.123 25731 1513 1 8 . 1 1 499 499 THR N N 499 115.578 115.578 117.625 -2.047 25731 1514 1 8 . 1 1 499 499 THR H H 499 9.872 9.872 9.538 0.334 25731 1515 1 8 . 1 1 557 557 THR N N 557 132.226 132.226 114.822 17.404 25731 1516 1 8 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 1517 1 8 . 1 1 558 558 THR N N 558 121.278 121.278 120.781 0.497 25731 1518 1 8 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 1519 1 8 . 1 1 559 559 ASP N N 559 121.304 121.304 121.126 0.178 25731 1520 1 8 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.605 25731 1521 1 9 . 1 1 4 4 GLY N N 4 109.068 109.068 111.163 -2.095 25731 1522 1 9 . 1 1 4 4 GLY H H 4 8.608 8.608 8.257 0.351 25731 1523 1 9 . 1 1 5 5 ILE N N 5 131.711 131.711 120.611 11.100 25731 1524 1 9 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 1525 1 9 . 1 1 7 7 ALA N N 7 130.884 130.884 126.044 4.840 25731 1526 1 9 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 1527 1 9 . 1 1 8 8 SER N N 8 111.971 111.971 112.715 -0.744 25731 1528 1 9 . 1 1 8 8 SER H H 8 7.715 7.715 7.574 0.141 25731 1529 1 9 . 1 1 10 10 GLY N N 10 104.297 104.297 109.413 -5.116 25731 1530 1 9 . 1 1 10 10 GLY H H 10 6.261 6.261 7.916 -1.655 25731 1531 1 9 . 1 1 14 14 GLY N N 14 108.348 108.348 110.574 -2.226 25731 1532 1 9 . 1 1 14 14 GLY H H 14 8.294 8.294 8.190 0.104 25731 1533 1 9 . 1 1 18 18 LEU N N 18 129.007 129.007 126.969 2.038 25731 1534 1 9 . 1 1 18 18 LEU H H 18 8.839 8.839 8.465 0.374 25731 1535 1 9 . 1 1 19 19 LEU N N 19 129.235 129.235 128.786 0.449 25731 1536 1 9 . 1 1 19 19 LEU H H 19 8.982 8.982 8.258 0.725 25731 1537 1 9 . 1 1 23 23 GLU N N 23 122.434 122.434 119.230 3.204 25731 1538 1 9 . 1 1 23 23 GLU H H 23 8.471 8.471 8.456 0.015 25731 1539 1 9 . 1 1 24 24 ILE N N 24 124.551 124.551 122.991 1.560 25731 1540 1 9 . 1 1 24 24 ILE H H 24 8.459 8.459 8.385 0.074 25731 1541 1 9 . 1 1 25 25 VAL N N 25 131.023 131.023 127.540 3.483 25731 1542 1 9 . 1 1 25 25 VAL H H 25 8.087 8.087 8.238 -0.151 25731 1543 1 9 . 1 1 26 26 ILE N N 26 126.563 126.563 126.661 -0.098 25731 1544 1 9 . 1 1 26 26 ILE H H 26 7.994 7.994 8.336 -0.342 25731 1545 1 9 . 1 1 27 27 ASP N N 27 128.838 128.838 127.704 1.134 25731 1546 1 9 . 1 1 27 27 ASP H H 27 9.479 9.479 8.488 0.991 25731 1547 1 9 . 1 1 28 28 ARG N N 28 124.609 124.609 123.770 0.839 25731 1548 1 9 . 1 1 28 28 ARG H H 28 8.299 8.299 7.943 0.356 25731 1549 1 9 . 1 1 29 29 LYS N N 29 123.043 123.043 121.080 1.963 25731 1550 1 9 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 1551 1 9 . 1 1 30 30 LYS N N 30 123.947 123.947 122.885 1.062 25731 1552 1 9 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 1553 1 9 . 1 1 32 32 SER N N 32 114.432 114.432 116.746 -2.314 25731 1554 1 9 . 1 1 32 32 SER H H 32 8.102 8.102 9.192 -1.090 25731 1555 1 9 . 1 1 37 37 ASP N N 37 118.749 118.749 118.594 0.155 25731 1556 1 9 . 1 1 37 37 ASP H H 37 8.539 8.539 7.950 0.589 25731 1557 1 9 . 1 1 40 40 VAL N N 40 122.242 122.242 120.134 2.108 25731 1558 1 9 . 1 1 40 40 VAL H H 40 8.817 8.817 8.050 0.767 25731 1559 1 9 . 1 1 41 41 GLU N N 41 119.003 119.003 120.108 -1.105 25731 1560 1 9 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 1561 1 9 . 1 1 45 45 SER N N 45 116.937 116.937 115.162 1.775 25731 1562 1 9 . 1 1 45 45 SER H H 45 9.073 9.073 8.828 0.245 25731 1563 1 9 . 1 1 46 46 GLY N N 46 111.188 111.188 109.374 1.814 25731 1564 1 9 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 1565 1 9 . 1 1 47 47 ARG N N 47 123.155 123.155 121.985 1.170 25731 1566 1 9 . 1 1 47 47 ARG H H 47 8.755 8.755 8.490 0.265 25731 1567 1 9 . 1 1 56 56 THR N N 56 116.925 116.925 115.809 1.116 25731 1568 1 9 . 1 1 56 56 THR H H 56 7.602 7.602 7.529 0.073 25731 1569 1 9 . 1 1 58 58 LYS N N 58 120.834 120.834 120.819 0.015 25731 1570 1 9 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 1571 1 9 . 1 1 68 68 GLU N N 68 120.644 120.644 120.549 0.095 25731 1572 1 9 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 1573 1 9 . 1 1 71 71 ALA N N 71 118.782 118.782 121.363 -2.581 25731 1574 1 9 . 1 1 71 71 ALA H H 71 7.660 7.660 7.637 0.023 25731 1575 1 9 . 1 1 75 75 GLY N N 75 106.782 106.782 108.616 -1.834 25731 1576 1 9 . 1 1 75 75 GLY H H 75 7.803 7.803 8.127 -0.324 25731 1577 1 9 . 1 1 81 81 GLU N N 81 113.885 113.885 114.914 -1.029 25731 1578 1 9 . 1 1 81 81 GLU H H 81 7.963 7.963 7.796 0.167 25731 1579 1 9 . 1 1 83 83 GLU N N 83 129.401 129.401 127.077 2.324 25731 1580 1 9 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 1581 1 9 . 1 1 92 92 LEU N N 92 118.295 118.295 119.110 -0.815 25731 1582 1 9 . 1 1 92 92 LEU H H 92 7.422 7.422 7.588 -0.166 25731 1583 1 9 . 1 1 93 93 ILE N N 93 120.627 120.627 120.053 0.574 25731 1584 1 9 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 1585 1 9 . 1 1 94 94 LYS N N 94 115.650 115.650 118.426 -2.776 25731 1586 1 9 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 1587 1 9 . 1 1 96 96 LYS N N 96 115.886 115.886 116.396 -0.510 25731 1588 1 9 . 1 1 96 96 LYS H H 96 7.154 7.154 8.065 -0.911 25731 1589 1 9 . 1 1 100 100 ALA N N 100 121.819 121.819 124.424 -2.605 25731 1590 1 9 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 1591 1 9 . 1 1 101 101 ASP N N 101 109.661 109.661 117.293 -7.632 25731 1592 1 9 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 1593 1 9 . 1 1 104 104 ALA N N 104 118.118 118.118 120.871 -2.753 25731 1594 1 9 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 1595 1 9 . 1 1 110 110 GLY N N 110 108.385 108.385 107.927 0.458 25731 1596 1 9 . 1 1 110 110 GLY H H 110 7.984 7.984 8.498 -0.514 25731 1597 1 9 . 1 1 113 113 SER N N 113 112.590 112.590 114.932 -2.342 25731 1598 1 9 . 1 1 113 113 SER H H 113 8.406 8.406 8.566 -0.160 25731 1599 1 9 . 1 1 115 115 LEU N N 115 118.313 118.313 118.539 -0.226 25731 1600 1 9 . 1 1 115 115 LEU H H 115 7.467 7.467 7.905 -0.438 25731 1601 1 9 . 1 1 116 116 GLU N N 116 116.378 116.378 120.065 -3.687 25731 1602 1 9 . 1 1 116 116 GLU H H 116 7.756 7.756 8.037 -0.281 25731 1603 1 9 . 1 1 117 117 GLU N N 117 117.307 117.307 116.663 0.644 25731 1604 1 9 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 1605 1 9 . 1 1 118 118 LEU N N 118 119.474 119.474 121.645 -2.171 25731 1606 1 9 . 1 1 118 118 LEU H H 118 7.218 7.218 7.521 -0.303 25731 1607 1 9 . 1 1 122 122 TYR N N 122 119.867 119.867 120.485 -0.618 25731 1608 1 9 . 1 1 122 122 TYR H H 122 8.258 8.258 8.540 -0.282 25731 1609 1 9 . 1 1 134 134 GLY N N 134 109.570 109.570 106.466 3.104 25731 1610 1 9 . 1 1 134 134 GLY H H 134 8.746 8.746 7.630 1.116 25731 1611 1 9 . 1 1 138 138 LEU N N 138 119.451 119.451 118.545 0.906 25731 1612 1 9 . 1 1 138 138 LEU H H 138 8.921 8.921 7.733 1.188 25731 1613 1 9 . 1 1 143 143 GLY N N 143 109.192 109.192 105.254 3.938 25731 1614 1 9 . 1 1 143 143 GLY H H 143 7.673 7.673 8.184 -0.511 25731 1615 1 9 . 1 1 146 146 ILE N N 146 126.426 126.426 125.860 0.566 25731 1616 1 9 . 1 1 146 146 ILE H H 146 8.295 8.295 8.705 -0.410 25731 1617 1 9 . 1 1 148 148 ASP N N 148 126.756 126.756 127.081 -0.325 25731 1618 1 9 . 1 1 148 148 ASP H H 148 8.369 8.369 8.476 -0.107 25731 1619 1 9 . 1 1 151 151 ALA N N 151 125.461 125.461 124.365 1.096 25731 1620 1 9 . 1 1 151 151 ALA H H 151 7.407 7.407 7.454 -0.047 25731 1621 1 9 . 1 1 152 152 ILE N N 152 119.784 119.784 119.222 0.562 25731 1622 1 9 . 1 1 152 152 ILE H H 152 6.746 6.746 7.692 -0.946 25731 1623 1 9 . 1 1 158 158 LEU N N 158 127.511 127.511 127.416 0.095 25731 1624 1 9 . 1 1 158 158 LEU H H 158 8.058 8.058 8.075 -0.017 25731 1625 1 9 . 1 1 161 161 ALA N N 161 125.207 125.207 121.701 3.506 25731 1626 1 9 . 1 1 161 161 ALA H H 161 9.201 9.201 8.866 0.335 25731 1627 1 9 . 1 1 162 162 ASP N N 162 110.996 110.996 113.755 -2.759 25731 1628 1 9 . 1 1 162 162 ASP H H 162 7.475 7.475 7.886 -0.411 25731 1629 1 9 . 1 1 181 181 THR N N 181 111.899 111.899 120.537 -8.638 25731 1630 1 9 . 1 1 181 181 THR H H 181 8.354 8.354 8.468 -0.114 25731 1631 1 9 . 1 1 206 206 GLY N N 206 117.211 117.211 107.917 9.294 25731 1632 1 9 . 1 1 206 206 GLY H H 206 10.135 10.135 8.716 1.419 25731 1633 1 9 . 1 1 207 207 SER N N 207 112.839 112.839 112.468 0.371 25731 1634 1 9 . 1 1 207 207 SER H H 207 7.865 7.865 7.526 0.339 25731 1635 1 9 . 1 1 208 208 VAL N N 208 128.351 128.351 121.093 7.258 25731 1636 1 9 . 1 1 208 208 VAL H H 208 7.799 7.799 8.008 -0.209 25731 1637 1 9 . 1 1 209 209 THR N N 209 113.459 113.459 114.585 -1.126 25731 1638 1 9 . 1 1 209 209 THR H H 209 9.742 9.742 8.092 1.650 25731 1639 1 9 . 1 1 210 210 SER N N 210 114.577 114.577 112.893 1.684 25731 1640 1 9 . 1 1 210 210 SER H H 210 7.630 7.630 8.436 -0.806 25731 1641 1 9 . 1 1 212 212 VAL N N 212 119.189 119.189 120.209 -1.020 25731 1642 1 9 . 1 1 212 212 VAL H H 212 7.299 7.299 7.463 -0.164 25731 1643 1 9 . 1 1 213 213 LYS N N 213 124.796 124.796 124.310 0.486 25731 1644 1 9 . 1 1 213 213 LYS H H 213 8.871 8.871 9.619 -0.748 25731 1645 1 9 . 1 1 214 214 ASN N N 214 118.397 118.397 120.348 -1.951 25731 1646 1 9 . 1 1 214 214 ASN H H 214 8.508 8.508 8.393 0.115 25731 1647 1 9 . 1 1 220 220 LEU N N 220 130.815 130.815 128.870 1.945 25731 1648 1 9 . 1 1 220 220 LEU H H 220 9.089 9.089 8.340 0.749 25731 1649 1 9 . 1 1 222 222 ALA N N 222 128.761 128.761 120.174 8.587 25731 1650 1 9 . 1 1 222 222 ALA H H 222 8.440 8.440 8.547 -0.107 25731 1651 1 9 . 1 1 229 229 VAL N N 229 123.649 123.649 125.065 -1.416 25731 1652 1 9 . 1 1 229 229 VAL H H 229 8.483 8.483 8.622 -0.139 25731 1653 1 9 . 1 1 230 230 ASN N N 230 124.668 124.668 125.787 -1.119 25731 1654 1 9 . 1 1 230 230 ASN H H 230 10.129 10.129 8.516 1.613 25731 1655 1 9 . 1 1 232 232 THR N N 232 109.569 109.569 115.619 -6.050 25731 1656 1 9 . 1 1 232 232 THR H H 232 7.786 7.786 8.083 -0.297 25731 1657 1 9 . 1 1 283 283 GLY N N 283 107.398 107.398 107.159 0.239 25731 1658 1 9 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 1659 1 9 . 1 1 288 288 GLY N N 288 106.551 106.551 106.997 -0.446 25731 1660 1 9 . 1 1 288 288 GLY H H 288 7.774 7.774 7.498 0.276 25731 1661 1 9 . 1 1 291 291 GLY N N 291 106.112 106.112 104.622 1.490 25731 1662 1 9 . 1 1 291 291 GLY H H 291 7.360 7.360 7.404 -0.044 25731 1663 1 9 . 1 1 330 330 ILE N N 330 125.891 125.891 128.540 -2.649 25731 1664 1 9 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 1665 1 9 . 1 1 331 331 VAL N N 331 130.011 130.011 128.107 1.904 25731 1666 1 9 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 1667 1 9 . 1 1 332 332 ARG N N 332 128.386 128.386 128.585 -0.199 25731 1668 1 9 . 1 1 332 332 ARG H H 332 7.923 7.923 8.449 -0.526 25731 1669 1 9 . 1 1 368 368 GLU N N 368 120.295 120.295 118.293 2.002 25731 1670 1 9 . 1 1 368 368 GLU H H 368 9.831 9.831 8.789 1.042 25731 1671 1 9 . 1 1 370 370 LEU N N 370 121.704 121.704 121.816 -0.112 25731 1672 1 9 . 1 1 370 370 LEU H H 370 6.739 6.739 7.601 -0.862 25731 1673 1 9 . 1 1 373 373 GLN N N 373 115.819 115.819 120.585 -4.766 25731 1674 1 9 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 1675 1 9 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 1676 1 9 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.016 25731 1677 1 9 . 1 1 386 386 LEU N N 386 126.834 126.834 126.986 -0.152 25731 1678 1 9 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 1679 1 9 . 1 1 399 399 VAL N N 399 117.218 117.218 119.103 -1.885 25731 1680 1 9 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 1681 1 9 . 1 1 419 419 ALA N N 419 125.187 125.187 127.529 -2.342 25731 1682 1 9 . 1 1 419 419 ALA H H 419 8.324 8.324 8.624 -0.300 25731 1683 1 9 . 1 1 420 420 PHE N N 420 110.844 110.844 115.935 -5.091 25731 1684 1 9 . 1 1 420 420 PHE H H 420 7.151 7.151 7.543 -0.392 25731 1685 1 9 . 1 1 422 422 GLU N N 422 127.390 127.390 125.667 1.723 25731 1686 1 9 . 1 1 422 422 GLU H H 422 8.442 8.442 8.633 -0.191 25731 1687 1 9 . 1 1 423 423 SER N N 423 115.144 115.144 114.508 0.636 25731 1688 1 9 . 1 1 423 423 SER H H 423 8.591 8.591 7.983 0.608 25731 1689 1 9 . 1 1 425 425 GLU N N 425 128.863 128.863 128.463 0.400 25731 1690 1 9 . 1 1 425 425 GLU H H 425 8.779 8.779 8.700 0.079 25731 1691 1 9 . 1 1 426 426 ILE N N 426 122.399 122.399 121.519 0.880 25731 1692 1 9 . 1 1 426 426 ILE H H 426 9.634 9.634 8.182 1.452 25731 1693 1 9 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 1694 1 9 . 1 1 427 427 GLY H H 427 9.038 9.038 8.514 0.524 25731 1695 1 9 . 1 1 475 475 GLN N N 475 126.671 126.671 127.071 -0.400 25731 1696 1 9 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 1697 1 9 . 1 1 481 481 VAL N N 481 123.573 123.573 122.714 0.859 25731 1698 1 9 . 1 1 481 481 VAL H H 481 6.827 6.827 7.320 -0.493 25731 1699 1 9 . 1 1 496 496 GLY N N 496 108.132 108.132 107.314 0.818 25731 1700 1 9 . 1 1 496 496 GLY H H 496 7.913 7.913 7.861 0.052 25731 1701 1 9 . 1 1 498 498 TRP N N 498 114.239 114.239 116.789 -2.550 25731 1702 1 9 . 1 1 498 498 TRP H H 498 6.657 6.657 7.791 -1.134 25731 1703 1 9 . 1 1 499 499 THR N N 499 115.578 115.578 117.616 -2.038 25731 1704 1 9 . 1 1 499 499 THR H H 499 9.872 9.872 9.484 0.388 25731 1705 1 9 . 1 1 557 557 THR N N 557 132.226 132.226 114.822 17.404 25731 1706 1 9 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 1707 1 9 . 1 1 558 558 THR N N 558 121.278 121.278 120.787 0.491 25731 1708 1 9 . 1 1 558 558 THR H H 558 9.116 9.116 8.661 0.455 25731 1709 1 9 . 1 1 559 559 ASP N N 559 121.304 121.304 121.129 0.175 25731 1710 1 9 . 1 1 559 559 ASP H H 559 9.227 9.227 8.622 0.605 25731 1711 1 10 . 1 1 4 4 GLY N N 4 109.068 109.068 111.165 -2.097 25731 1712 1 10 . 1 1 4 4 GLY H H 4 8.608 8.608 8.257 0.351 25731 1713 1 10 . 1 1 5 5 ILE N N 5 131.711 131.711 120.612 11.099 25731 1714 1 10 . 1 1 5 5 ILE H H 5 9.573 9.573 8.415 1.158 25731 1715 1 10 . 1 1 7 7 ALA N N 7 130.884 130.884 126.050 4.834 25731 1716 1 10 . 1 1 7 7 ALA H H 7 7.841 7.841 8.530 -0.689 25731 1717 1 10 . 1 1 8 8 SER N N 8 111.971 111.971 112.717 -0.746 25731 1718 1 10 . 1 1 8 8 SER H H 8 7.715 7.715 7.573 0.142 25731 1719 1 10 . 1 1 10 10 GLY N N 10 104.297 104.297 109.420 -5.123 25731 1720 1 10 . 1 1 10 10 GLY H H 10 6.261 6.261 7.919 -1.658 25731 1721 1 10 . 1 1 14 14 GLY N N 14 108.348 108.348 111.113 -2.765 25731 1722 1 10 . 1 1 14 14 GLY H H 14 8.294 8.294 8.230 0.064 25731 1723 1 10 . 1 1 18 18 LEU N N 18 129.007 129.007 126.970 2.037 25731 1724 1 10 . 1 1 18 18 LEU H H 18 8.839 8.839 8.465 0.374 25731 1725 1 10 . 1 1 19 19 LEU N N 19 129.235 129.235 128.776 0.459 25731 1726 1 10 . 1 1 19 19 LEU H H 19 8.982 8.982 8.259 0.723 25731 1727 1 10 . 1 1 23 23 GLU N N 23 122.434 122.434 119.533 2.901 25731 1728 1 10 . 1 1 23 23 GLU H H 23 8.471 8.471 8.352 0.119 25731 1729 1 10 . 1 1 24 24 ILE N N 24 124.551 124.551 123.521 1.030 25731 1730 1 10 . 1 1 24 24 ILE H H 24 8.459 8.459 8.327 0.132 25731 1731 1 10 . 1 1 25 25 VAL N N 25 131.023 131.023 127.385 3.638 25731 1732 1 10 . 1 1 25 25 VAL H H 25 8.087 8.087 8.226 -0.139 25731 1733 1 10 . 1 1 26 26 ILE N N 26 126.563 126.563 126.642 -0.079 25731 1734 1 10 . 1 1 26 26 ILE H H 26 7.994 7.994 8.335 -0.341 25731 1735 1 10 . 1 1 27 27 ASP N N 27 128.838 128.838 127.717 1.121 25731 1736 1 10 . 1 1 27 27 ASP H H 27 9.479 9.479 8.490 0.989 25731 1737 1 10 . 1 1 28 28 ARG N N 28 124.609 124.609 123.764 0.845 25731 1738 1 10 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 1739 1 10 . 1 1 29 29 LYS N N 29 123.043 123.043 121.079 1.964 25731 1740 1 10 . 1 1 29 29 LYS H H 29 8.152 8.152 7.604 0.548 25731 1741 1 10 . 1 1 30 30 LYS N N 30 123.947 123.947 122.886 1.061 25731 1742 1 10 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 1743 1 10 . 1 1 32 32 SER N N 32 114.432 114.432 116.741 -2.309 25731 1744 1 10 . 1 1 32 32 SER H H 32 8.102 8.102 9.192 -1.090 25731 1745 1 10 . 1 1 37 37 ASP N N 37 118.749 118.749 118.600 0.149 25731 1746 1 10 . 1 1 37 37 ASP H H 37 8.539 8.539 7.948 0.591 25731 1747 1 10 . 1 1 40 40 VAL N N 40 122.242 122.242 120.133 2.109 25731 1748 1 10 . 1 1 40 40 VAL H H 40 8.817 8.817 8.048 0.769 25731 1749 1 10 . 1 1 41 41 GLU N N 41 119.003 119.003 120.105 -1.102 25731 1750 1 10 . 1 1 41 41 GLU H H 41 7.910 7.910 7.926 -0.016 25731 1751 1 10 . 1 1 45 45 SER N N 45 116.937 116.937 115.163 1.774 25731 1752 1 10 . 1 1 45 45 SER H H 45 9.073 9.073 8.829 0.244 25731 1753 1 10 . 1 1 46 46 GLY N N 46 111.188 111.188 109.377 1.811 25731 1754 1 10 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.655 25731 1755 1 10 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 1756 1 10 . 1 1 47 47 ARG H H 47 8.755 8.755 8.490 0.265 25731 1757 1 10 . 1 1 56 56 THR N N 56 116.925 116.925 115.810 1.115 25731 1758 1 10 . 1 1 56 56 THR H H 56 7.602 7.602 7.529 0.073 25731 1759 1 10 . 1 1 58 58 LYS N N 58 120.834 120.834 120.817 0.017 25731 1760 1 10 . 1 1 58 58 LYS H H 58 8.611 8.611 7.480 1.131 25731 1761 1 10 . 1 1 68 68 GLU N N 68 120.644 120.644 120.550 0.094 25731 1762 1 10 . 1 1 68 68 GLU H H 68 8.986 8.986 8.783 0.203 25731 1763 1 10 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 1764 1 10 . 1 1 71 71 ALA H H 71 7.660 7.660 7.637 0.023 25731 1765 1 10 . 1 1 75 75 GLY N N 75 106.782 106.782 108.613 -1.831 25731 1766 1 10 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 1767 1 10 . 1 1 81 81 GLU N N 81 113.885 113.885 114.911 -1.026 25731 1768 1 10 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 1769 1 10 . 1 1 83 83 GLU N N 83 129.401 129.401 127.073 2.328 25731 1770 1 10 . 1 1 83 83 GLU H H 83 9.055 9.055 8.954 0.102 25731 1771 1 10 . 1 1 92 92 LEU N N 92 118.295 118.295 119.105 -0.810 25731 1772 1 10 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 1773 1 10 . 1 1 93 93 ILE N N 93 120.627 120.627 120.056 0.571 25731 1774 1 10 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 1775 1 10 . 1 1 94 94 LYS N N 94 115.650 115.650 118.424 -2.774 25731 1776 1 10 . 1 1 94 94 LYS H H 94 8.498 8.498 8.222 0.276 25731 1777 1 10 . 1 1 96 96 LYS N N 96 115.886 115.886 116.401 -0.515 25731 1778 1 10 . 1 1 96 96 LYS H H 96 7.154 7.154 8.065 -0.911 25731 1779 1 10 . 1 1 100 100 ALA N N 100 121.819 121.819 124.427 -2.608 25731 1780 1 10 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 1781 1 10 . 1 1 101 101 ASP N N 101 109.661 109.661 117.298 -7.637 25731 1782 1 10 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 1783 1 10 . 1 1 104 104 ALA N N 104 118.118 118.118 120.873 -2.755 25731 1784 1 10 . 1 1 104 104 ALA H H 104 8.328 8.328 8.161 0.167 25731 1785 1 10 . 1 1 110 110 GLY N N 110 108.385 108.385 107.916 0.469 25731 1786 1 10 . 1 1 110 110 GLY H H 110 7.984 7.984 8.500 -0.516 25731 1787 1 10 . 1 1 113 113 SER N N 113 112.590 112.590 114.936 -2.346 25731 1788 1 10 . 1 1 113 113 SER H H 113 8.406 8.406 8.567 -0.161 25731 1789 1 10 . 1 1 115 115 LEU N N 115 118.313 118.313 118.532 -0.219 25731 1790 1 10 . 1 1 115 115 LEU H H 115 7.467 7.467 7.904 -0.437 25731 1791 1 10 . 1 1 116 116 GLU N N 116 116.378 116.378 120.075 -3.697 25731 1792 1 10 . 1 1 116 116 GLU H H 116 7.756 7.756 8.037 -0.281 25731 1793 1 10 . 1 1 117 117 GLU N N 117 117.307 117.307 116.666 0.641 25731 1794 1 10 . 1 1 117 117 GLU H H 117 7.446 7.446 7.521 -0.075 25731 1795 1 10 . 1 1 118 118 LEU N N 118 119.474 119.474 121.648 -2.174 25731 1796 1 10 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 1797 1 10 . 1 1 122 122 TYR N N 122 119.867 119.867 120.487 -0.620 25731 1798 1 10 . 1 1 122 122 TYR H H 122 8.258 8.258 8.541 -0.283 25731 1799 1 10 . 1 1 134 134 GLY N N 134 109.570 109.570 106.462 3.108 25731 1800 1 10 . 1 1 134 134 GLY H H 134 8.746 8.746 7.628 1.118 25731 1801 1 10 . 1 1 138 138 LEU N N 138 119.451 119.451 118.545 0.906 25731 1802 1 10 . 1 1 138 138 LEU H H 138 8.921 8.921 7.732 1.189 25731 1803 1 10 . 1 1 143 143 GLY N N 143 109.192 109.192 105.563 3.629 25731 1804 1 10 . 1 1 143 143 GLY H H 143 7.673 7.673 8.194 -0.521 25731 1805 1 10 . 1 1 146 146 ILE N N 146 126.426 126.426 124.200 2.226 25731 1806 1 10 . 1 1 146 146 ILE H H 146 8.295 8.295 8.623 -0.328 25731 1807 1 10 . 1 1 148 148 ASP N N 148 126.756 126.756 127.061 -0.305 25731 1808 1 10 . 1 1 148 148 ASP H H 148 8.369 8.369 8.436 -0.067 25731 1809 1 10 . 1 1 151 151 ALA N N 151 125.461 125.461 124.380 1.081 25731 1810 1 10 . 1 1 151 151 ALA H H 151 7.407 7.407 7.456 -0.049 25731 1811 1 10 . 1 1 152 152 ILE N N 152 119.784 119.784 119.220 0.564 25731 1812 1 10 . 1 1 152 152 ILE H H 152 6.746 6.746 7.692 -0.946 25731 1813 1 10 . 1 1 158 158 LEU N N 158 127.511 127.511 127.410 0.101 25731 1814 1 10 . 1 1 158 158 LEU H H 158 8.058 8.058 8.075 -0.017 25731 1815 1 10 . 1 1 161 161 ALA N N 161 125.207 125.207 121.700 3.507 25731 1816 1 10 . 1 1 161 161 ALA H H 161 9.201 9.201 8.866 0.335 25731 1817 1 10 . 1 1 162 162 ASP N N 162 110.996 110.996 113.757 -2.761 25731 1818 1 10 . 1 1 162 162 ASP H H 162 7.475 7.475 7.887 -0.412 25731 1819 1 10 . 1 1 181 181 THR N N 181 111.899 111.899 120.543 -8.644 25731 1820 1 10 . 1 1 181 181 THR H H 181 8.354 8.354 8.470 -0.116 25731 1821 1 10 . 1 1 206 206 GLY N N 206 117.211 117.211 107.918 9.293 25731 1822 1 10 . 1 1 206 206 GLY H H 206 10.135 10.135 8.716 1.419 25731 1823 1 10 . 1 1 207 207 SER N N 207 112.839 112.839 112.465 0.374 25731 1824 1 10 . 1 1 207 207 SER H H 207 7.865 7.865 7.526 0.339 25731 1825 1 10 . 1 1 208 208 VAL N N 208 128.351 128.351 121.089 7.262 25731 1826 1 10 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 1827 1 10 . 1 1 209 209 THR N N 209 113.459 113.459 114.592 -1.133 25731 1828 1 10 . 1 1 209 209 THR H H 209 9.742 9.742 8.093 1.649 25731 1829 1 10 . 1 1 210 210 SER N N 210 114.577 114.577 112.899 1.678 25731 1830 1 10 . 1 1 210 210 SER H H 210 7.630 7.630 8.436 -0.806 25731 1831 1 10 . 1 1 212 212 VAL N N 212 119.189 119.189 120.211 -1.022 25731 1832 1 10 . 1 1 212 212 VAL H H 212 7.299 7.299 7.464 -0.165 25731 1833 1 10 . 1 1 213 213 LYS N N 213 124.796 124.796 124.321 0.475 25731 1834 1 10 . 1 1 213 213 LYS H H 213 8.871 8.871 9.617 -0.746 25731 1835 1 10 . 1 1 214 214 ASN N N 214 118.397 118.397 120.340 -1.943 25731 1836 1 10 . 1 1 214 214 ASN H H 214 8.508 8.508 8.393 0.115 25731 1837 1 10 . 1 1 220 220 LEU N N 220 130.815 130.815 128.743 2.072 25731 1838 1 10 . 1 1 220 220 LEU H H 220 9.089 9.089 8.346 0.743 25731 1839 1 10 . 1 1 222 222 ALA N N 222 128.761 128.761 120.208 8.553 25731 1840 1 10 . 1 1 222 222 ALA H H 222 8.440 8.440 8.553 -0.113 25731 1841 1 10 . 1 1 229 229 VAL N N 229 123.649 123.649 125.119 -1.470 25731 1842 1 10 . 1 1 229 229 VAL H H 229 8.483 8.483 8.625 -0.142 25731 1843 1 10 . 1 1 230 230 ASN N N 230 124.668 124.668 125.781 -1.113 25731 1844 1 10 . 1 1 230 230 ASN H H 230 10.129 10.129 8.517 1.612 25731 1845 1 10 . 1 1 232 232 THR N N 232 109.569 109.569 115.611 -6.042 25731 1846 1 10 . 1 1 232 232 THR H H 232 7.786 7.786 8.077 -0.291 25731 1847 1 10 . 1 1 283 283 GLY N N 283 107.398 107.398 107.158 0.240 25731 1848 1 10 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 1849 1 10 . 1 1 288 288 GLY N N 288 106.551 106.551 107.039 -0.488 25731 1850 1 10 . 1 1 288 288 GLY H H 288 7.774 7.774 7.499 0.275 25731 1851 1 10 . 1 1 291 291 GLY N N 291 106.112 106.112 104.562 1.550 25731 1852 1 10 . 1 1 291 291 GLY H H 291 7.360 7.360 7.398 -0.038 25731 1853 1 10 . 1 1 330 330 ILE N N 330 125.891 125.891 128.542 -2.651 25731 1854 1 10 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 1855 1 10 . 1 1 331 331 VAL N N 331 130.011 130.011 128.109 1.902 25731 1856 1 10 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 1857 1 10 . 1 1 332 332 ARG N N 332 128.386 128.386 128.587 -0.201 25731 1858 1 10 . 1 1 332 332 ARG H H 332 7.923 7.923 8.451 -0.528 25731 1859 1 10 . 1 1 368 368 GLU N N 368 120.295 120.295 118.312 1.983 25731 1860 1 10 . 1 1 368 368 GLU H H 368 9.831 9.831 8.789 1.042 25731 1861 1 10 . 1 1 370 370 LEU N N 370 121.704 121.704 121.824 -0.120 25731 1862 1 10 . 1 1 370 370 LEU H H 370 6.739 6.739 7.602 -0.863 25731 1863 1 10 . 1 1 373 373 GLN N N 373 115.819 115.819 120.585 -4.766 25731 1864 1 10 . 1 1 373 373 GLN H H 373 7.260 7.260 7.790 -0.530 25731 1865 1 10 . 1 1 384 384 GLY N N 384 106.461 106.461 106.000 0.461 25731 1866 1 10 . 1 1 384 384 GLY H H 384 7.286 7.286 7.301 -0.016 25731 1867 1 10 . 1 1 386 386 LEU N N 386 126.834 126.834 126.986 -0.152 25731 1868 1 10 . 1 1 386 386 LEU H H 386 9.300 9.300 8.146 1.154 25731 1869 1 10 . 1 1 399 399 VAL N N 399 117.218 117.218 119.104 -1.886 25731 1870 1 10 . 1 1 399 399 VAL H H 399 6.947 6.947 7.358 -0.411 25731 1871 1 10 . 1 1 419 419 ALA N N 419 125.187 125.187 127.603 -2.416 25731 1872 1 10 . 1 1 419 419 ALA H H 419 8.324 8.324 8.635 -0.311 25731 1873 1 10 . 1 1 420 420 PHE N N 420 110.844 110.844 116.091 -5.247 25731 1874 1 10 . 1 1 420 420 PHE H H 420 7.151 7.151 7.612 -0.461 25731 1875 1 10 . 1 1 422 422 GLU N N 422 127.390 127.390 125.643 1.747 25731 1876 1 10 . 1 1 422 422 GLU H H 422 8.442 8.442 8.604 -0.162 25731 1877 1 10 . 1 1 423 423 SER N N 423 115.144 115.144 114.511 0.633 25731 1878 1 10 . 1 1 423 423 SER H H 423 8.591 8.591 7.977 0.614 25731 1879 1 10 . 1 1 425 425 GLU N N 425 128.863 128.863 128.465 0.398 25731 1880 1 10 . 1 1 425 425 GLU H H 425 8.779 8.779 8.702 0.077 25731 1881 1 10 . 1 1 426 426 ILE N N 426 122.399 122.399 121.521 0.878 25731 1882 1 10 . 1 1 426 426 ILE H H 426 9.634 9.634 8.183 1.451 25731 1883 1 10 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 1884 1 10 . 1 1 427 427 GLY H H 427 9.038 9.038 8.515 0.523 25731 1885 1 10 . 1 1 475 475 GLN N N 475 126.671 126.671 127.071 -0.400 25731 1886 1 10 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 1887 1 10 . 1 1 481 481 VAL N N 481 123.573 123.573 122.716 0.857 25731 1888 1 10 . 1 1 481 481 VAL H H 481 6.827 6.827 7.319 -0.492 25731 1889 1 10 . 1 1 496 496 GLY N N 496 108.132 108.132 107.312 0.820 25731 1890 1 10 . 1 1 496 496 GLY H H 496 7.913 7.913 7.861 0.052 25731 1891 1 10 . 1 1 498 498 TRP N N 498 114.239 114.239 116.786 -2.547 25731 1892 1 10 . 1 1 498 498 TRP H H 498 6.657 6.657 7.790 -1.133 25731 1893 1 10 . 1 1 499 499 THR N N 499 115.578 115.578 117.613 -2.035 25731 1894 1 10 . 1 1 499 499 THR H H 499 9.872 9.872 9.486 0.386 25731 1895 1 10 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 1896 1 10 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 1897 1 10 . 1 1 558 558 THR N N 558 121.278 121.278 120.787 0.491 25731 1898 1 10 . 1 1 558 558 THR H H 558 9.116 9.116 8.661 0.455 25731 1899 1 10 . 1 1 559 559 ASP N N 559 121.304 121.304 121.129 0.175 25731 1900 1 10 . 1 1 559 559 ASP H H 559 9.227 9.227 8.622 0.605 25731 1901 1 11 . 1 1 4 4 GLY N N 4 109.068 109.068 111.166 -2.098 25731 1902 1 11 . 1 1 4 4 GLY H H 4 8.608 8.608 8.262 0.346 25731 1903 1 11 . 1 1 5 5 ILE N N 5 131.711 131.711 120.611 11.100 25731 1904 1 11 . 1 1 5 5 ILE H H 5 9.573 9.573 8.417 1.156 25731 1905 1 11 . 1 1 7 7 ALA N N 7 130.884 130.884 125.987 4.897 25731 1906 1 11 . 1 1 7 7 ALA H H 7 7.841 7.841 8.682 -0.841 25731 1907 1 11 . 1 1 8 8 SER N N 8 111.971 111.971 112.421 -0.450 25731 1908 1 11 . 1 1 8 8 SER H H 8 7.715 7.715 7.617 0.098 25731 1909 1 11 . 1 1 10 10 GLY N N 10 104.297 104.297 109.412 -5.115 25731 1910 1 11 . 1 1 10 10 GLY H H 10 6.261 6.261 7.921 -1.660 25731 1911 1 11 . 1 1 14 14 GLY N N 14 108.348 108.348 110.398 -2.050 25731 1912 1 11 . 1 1 14 14 GLY H H 14 8.294 8.294 8.018 0.276 25731 1913 1 11 . 1 1 18 18 LEU N N 18 129.007 129.007 126.885 2.122 25731 1914 1 11 . 1 1 18 18 LEU H H 18 8.839 8.839 8.463 0.376 25731 1915 1 11 . 1 1 19 19 LEU N N 19 129.235 129.235 129.151 0.084 25731 1916 1 11 . 1 1 19 19 LEU H H 19 8.982 8.982 8.191 0.791 25731 1917 1 11 . 1 1 23 23 GLU N N 23 122.434 122.434 122.959 -0.525 25731 1918 1 11 . 1 1 23 23 GLU H H 23 8.471 8.471 8.454 0.017 25731 1919 1 11 . 1 1 24 24 ILE N N 24 124.551 124.551 126.331 -1.780 25731 1920 1 11 . 1 1 24 24 ILE H H 24 8.459 8.459 8.502 -0.043 25731 1921 1 11 . 1 1 25 25 VAL N N 25 131.023 131.023 128.040 2.983 25731 1922 1 11 . 1 1 25 25 VAL H H 25 8.087 8.087 8.122 -0.035 25731 1923 1 11 . 1 1 26 26 ILE N N 26 126.563 126.563 126.662 -0.099 25731 1924 1 11 . 1 1 26 26 ILE H H 26 7.994 7.994 8.295 -0.301 25731 1925 1 11 . 1 1 27 27 ASP N N 27 128.838 128.838 127.755 1.083 25731 1926 1 11 . 1 1 27 27 ASP H H 27 9.479 9.479 8.491 0.988 25731 1927 1 11 . 1 1 28 28 ARG N N 28 124.609 124.609 123.765 0.844 25731 1928 1 11 . 1 1 28 28 ARG H H 28 8.299 8.299 7.951 0.348 25731 1929 1 11 . 1 1 29 29 LYS N N 29 123.043 123.043 121.051 1.992 25731 1930 1 11 . 1 1 29 29 LYS H H 29 8.152 8.152 7.609 0.543 25731 1931 1 11 . 1 1 30 30 LYS N N 30 123.947 123.947 122.987 0.960 25731 1932 1 11 . 1 1 30 30 LYS H H 30 8.346 8.346 8.268 0.078 25731 1933 1 11 . 1 1 32 32 SER N N 32 114.432 114.432 116.723 -2.291 25731 1934 1 11 . 1 1 32 32 SER H H 32 8.102 8.102 9.176 -1.074 25731 1935 1 11 . 1 1 37 37 ASP N N 37 118.749 118.749 118.598 0.151 25731 1936 1 11 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 1937 1 11 . 1 1 40 40 VAL N N 40 122.242 122.242 120.135 2.107 25731 1938 1 11 . 1 1 40 40 VAL H H 40 8.817 8.817 8.050 0.767 25731 1939 1 11 . 1 1 41 41 GLU N N 41 119.003 119.003 120.103 -1.100 25731 1940 1 11 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 1941 1 11 . 1 1 45 45 SER N N 45 116.937 116.937 115.154 1.783 25731 1942 1 11 . 1 1 45 45 SER H H 45 9.073 9.073 8.831 0.242 25731 1943 1 11 . 1 1 46 46 GLY N N 46 111.188 111.188 109.375 1.813 25731 1944 1 11 . 1 1 46 46 GLY H H 46 7.990 7.990 8.647 -0.657 25731 1945 1 11 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 1946 1 11 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 1947 1 11 . 1 1 56 56 THR N N 56 116.925 116.925 115.797 1.128 25731 1948 1 11 . 1 1 56 56 THR H H 56 7.602 7.602 7.521 0.081 25731 1949 1 11 . 1 1 58 58 LYS N N 58 120.834 120.834 120.800 0.034 25731 1950 1 11 . 1 1 58 58 LYS H H 58 8.611 8.611 7.468 1.143 25731 1951 1 11 . 1 1 68 68 GLU N N 68 120.644 120.644 120.465 0.179 25731 1952 1 11 . 1 1 68 68 GLU H H 68 8.986 8.986 8.760 0.226 25731 1953 1 11 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 1954 1 11 . 1 1 71 71 ALA H H 71 7.660 7.660 7.634 0.026 25731 1955 1 11 . 1 1 75 75 GLY N N 75 106.782 106.782 108.614 -1.832 25731 1956 1 11 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 1957 1 11 . 1 1 81 81 GLU N N 81 113.885 113.885 114.915 -1.030 25731 1958 1 11 . 1 1 81 81 GLU H H 81 7.963 7.963 7.796 0.167 25731 1959 1 11 . 1 1 83 83 GLU N N 83 129.401 129.401 127.088 2.313 25731 1960 1 11 . 1 1 83 83 GLU H H 83 9.055 9.055 8.954 0.101 25731 1961 1 11 . 1 1 92 92 LEU N N 92 118.295 118.295 119.110 -0.815 25731 1962 1 11 . 1 1 92 92 LEU H H 92 7.422 7.422 7.590 -0.168 25731 1963 1 11 . 1 1 93 93 ILE N N 93 120.627 120.627 120.063 0.564 25731 1964 1 11 . 1 1 93 93 ILE H H 93 7.601 7.601 7.537 0.064 25731 1965 1 11 . 1 1 94 94 LYS N N 94 115.650 115.650 118.418 -2.768 25731 1966 1 11 . 1 1 94 94 LYS H H 94 8.498 8.498 8.224 0.274 25731 1967 1 11 . 1 1 96 96 LYS N N 96 115.886 115.886 116.520 -0.634 25731 1968 1 11 . 1 1 96 96 LYS H H 96 7.154 7.154 8.167 -1.013 25731 1969 1 11 . 1 1 100 100 ALA N N 100 121.819 121.819 124.432 -2.613 25731 1970 1 11 . 1 1 100 100 ALA H H 100 10.542 10.542 8.262 2.280 25731 1971 1 11 . 1 1 101 101 ASP N N 101 109.661 109.661 117.295 -7.634 25731 1972 1 11 . 1 1 101 101 ASP H H 101 9.437 9.437 8.746 0.691 25731 1973 1 11 . 1 1 104 104 ALA N N 104 118.118 118.118 120.874 -2.756 25731 1974 1 11 . 1 1 104 104 ALA H H 104 8.328 8.328 8.162 0.166 25731 1975 1 11 . 1 1 110 110 GLY N N 110 108.385 108.385 107.920 0.465 25731 1976 1 11 . 1 1 110 110 GLY H H 110 7.984 7.984 8.503 -0.519 25731 1977 1 11 . 1 1 113 113 SER N N 113 112.590 112.590 114.894 -2.304 25731 1978 1 11 . 1 1 113 113 SER H H 113 8.406 8.406 8.477 -0.071 25731 1979 1 11 . 1 1 115 115 LEU N N 115 118.313 118.313 118.538 -0.225 25731 1980 1 11 . 1 1 115 115 LEU H H 115 7.467 7.467 7.908 -0.441 25731 1981 1 11 . 1 1 116 116 GLU N N 116 116.378 116.378 120.075 -3.697 25731 1982 1 11 . 1 1 116 116 GLU H H 116 7.756 7.756 8.041 -0.285 25731 1983 1 11 . 1 1 117 117 GLU N N 117 117.307 117.307 116.703 0.604 25731 1984 1 11 . 1 1 117 117 GLU H H 117 7.446 7.446 7.524 -0.078 25731 1985 1 11 . 1 1 118 118 LEU N N 118 119.474 119.474 121.635 -2.161 25731 1986 1 11 . 1 1 118 118 LEU H H 118 7.218 7.218 7.525 -0.307 25731 1987 1 11 . 1 1 122 122 TYR N N 122 119.867 119.867 120.499 -0.632 25731 1988 1 11 . 1 1 122 122 TYR H H 122 8.258 8.258 8.554 -0.296 25731 1989 1 11 . 1 1 134 134 GLY N N 134 109.570 109.570 106.467 3.103 25731 1990 1 11 . 1 1 134 134 GLY H H 134 8.746 8.746 7.635 1.111 25731 1991 1 11 . 1 1 138 138 LEU N N 138 119.451 119.451 118.544 0.907 25731 1992 1 11 . 1 1 138 138 LEU H H 138 8.921 8.921 7.738 1.183 25731 1993 1 11 . 1 1 143 143 GLY N N 143 109.192 109.192 106.473 2.719 25731 1994 1 11 . 1 1 143 143 GLY H H 143 7.673 7.673 8.249 -0.576 25731 1995 1 11 . 1 1 146 146 ILE N N 146 126.426 126.426 122.515 3.911 25731 1996 1 11 . 1 1 146 146 ILE H H 146 8.295 8.295 8.556 -0.261 25731 1997 1 11 . 1 1 148 148 ASP N N 148 126.756 126.756 126.022 0.734 25731 1998 1 11 . 1 1 148 148 ASP H H 148 8.369 8.369 8.753 -0.384 25731 1999 1 11 . 1 1 151 151 ALA N N 151 125.461 125.461 124.313 1.148 25731 2000 1 11 . 1 1 151 151 ALA H H 151 7.407 7.407 7.442 -0.035 25731 2001 1 11 . 1 1 152 152 ILE N N 152 119.784 119.784 119.500 0.284 25731 2002 1 11 . 1 1 152 152 ILE H H 152 6.746 6.746 7.651 -0.905 25731 2003 1 11 . 1 1 158 158 LEU N N 158 127.511 127.511 127.399 0.112 25731 2004 1 11 . 1 1 158 158 LEU H H 158 8.058 8.058 8.074 -0.016 25731 2005 1 11 . 1 1 161 161 ALA N N 161 125.207 125.207 121.669 3.538 25731 2006 1 11 . 1 1 161 161 ALA H H 161 9.201 9.201 8.868 0.333 25731 2007 1 11 . 1 1 162 162 ASP N N 162 110.996 110.996 113.639 -2.643 25731 2008 1 11 . 1 1 162 162 ASP H H 162 7.475 7.475 7.889 -0.414 25731 2009 1 11 . 1 1 181 181 THR N N 181 111.899 111.899 120.537 -8.638 25731 2010 1 11 . 1 1 181 181 THR H H 181 8.354 8.354 8.471 -0.117 25731 2011 1 11 . 1 1 206 206 GLY N N 206 117.211 117.211 107.892 9.319 25731 2012 1 11 . 1 1 206 206 GLY H H 206 10.135 10.135 8.712 1.423 25731 2013 1 11 . 1 1 207 207 SER N N 207 112.839 112.839 112.481 0.358 25731 2014 1 11 . 1 1 207 207 SER H H 207 7.865 7.865 7.528 0.337 25731 2015 1 11 . 1 1 208 208 VAL N N 208 128.351 128.351 121.077 7.274 25731 2016 1 11 . 1 1 208 208 VAL H H 208 7.799 7.799 8.014 -0.215 25731 2017 1 11 . 1 1 209 209 THR N N 209 113.459 113.459 114.609 -1.150 25731 2018 1 11 . 1 1 209 209 THR H H 209 9.742 9.742 8.097 1.645 25731 2019 1 11 . 1 1 210 210 SER N N 210 114.577 114.577 112.952 1.625 25731 2020 1 11 . 1 1 210 210 SER H H 210 7.630 7.630 8.436 -0.806 25731 2021 1 11 . 1 1 212 212 VAL N N 212 119.189 119.189 120.206 -1.017 25731 2022 1 11 . 1 1 212 212 VAL H H 212 7.299 7.299 7.473 -0.174 25731 2023 1 11 . 1 1 213 213 LYS N N 213 124.796 124.796 124.239 0.557 25731 2024 1 11 . 1 1 213 213 LYS H H 213 8.871 8.871 9.629 -0.758 25731 2025 1 11 . 1 1 214 214 ASN N N 214 118.397 118.397 120.464 -2.067 25731 2026 1 11 . 1 1 214 214 ASN H H 214 8.508 8.508 8.376 0.132 25731 2027 1 11 . 1 1 220 220 LEU N N 220 130.815 130.815 128.759 2.056 25731 2028 1 11 . 1 1 220 220 LEU H H 220 9.089 9.089 8.362 0.727 25731 2029 1 11 . 1 1 222 222 ALA N N 222 128.761 128.761 120.211 8.550 25731 2030 1 11 . 1 1 222 222 ALA H H 222 8.440 8.440 8.560 -0.120 25731 2031 1 11 . 1 1 229 229 VAL N N 229 123.649 123.649 125.151 -1.502 25731 2032 1 11 . 1 1 229 229 VAL H H 229 8.483 8.483 8.640 -0.157 25731 2033 1 11 . 1 1 230 230 ASN N N 230 124.668 124.668 125.807 -1.139 25731 2034 1 11 . 1 1 230 230 ASN H H 230 10.129 10.129 8.532 1.597 25731 2035 1 11 . 1 1 232 232 THR N N 232 109.569 109.569 115.753 -6.184 25731 2036 1 11 . 1 1 232 232 THR H H 232 7.786 7.786 8.080 -0.294 25731 2037 1 11 . 1 1 283 283 GLY N N 283 107.398 107.398 107.158 0.240 25731 2038 1 11 . 1 1 283 283 GLY H H 283 8.129 8.129 8.308 -0.179 25731 2039 1 11 . 1 1 288 288 GLY N N 288 106.551 106.551 106.734 -0.183 25731 2040 1 11 . 1 1 288 288 GLY H H 288 7.774 7.774 7.495 0.279 25731 2041 1 11 . 1 1 291 291 GLY N N 291 106.112 106.112 104.576 1.536 25731 2042 1 11 . 1 1 291 291 GLY H H 291 7.360 7.360 7.406 -0.046 25731 2043 1 11 . 1 1 330 330 ILE N N 330 125.891 125.891 128.544 -2.653 25731 2044 1 11 . 1 1 330 330 ILE H H 330 7.596 7.596 8.291 -0.695 25731 2045 1 11 . 1 1 331 331 VAL N N 331 130.011 130.011 128.107 1.904 25731 2046 1 11 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 2047 1 11 . 1 1 332 332 ARG N N 332 128.386 128.386 128.585 -0.199 25731 2048 1 11 . 1 1 332 332 ARG H H 332 7.923 7.923 8.450 -0.527 25731 2049 1 11 . 1 1 368 368 GLU N N 368 120.295 120.295 118.316 1.979 25731 2050 1 11 . 1 1 368 368 GLU H H 368 9.831 9.831 8.789 1.042 25731 2051 1 11 . 1 1 370 370 LEU N N 370 121.704 121.704 121.802 -0.098 25731 2052 1 11 . 1 1 370 370 LEU H H 370 6.739 6.739 7.590 -0.851 25731 2053 1 11 . 1 1 373 373 GLN N N 373 115.819 115.819 120.575 -4.756 25731 2054 1 11 . 1 1 373 373 GLN H H 373 7.260 7.260 7.781 -0.521 25731 2055 1 11 . 1 1 384 384 GLY N N 384 106.461 106.461 106.012 0.449 25731 2056 1 11 . 1 1 384 384 GLY H H 384 7.286 7.286 7.306 -0.020 25731 2057 1 11 . 1 1 386 386 LEU N N 386 126.834 126.834 126.988 -0.154 25731 2058 1 11 . 1 1 386 386 LEU H H 386 9.300 9.300 8.147 1.153 25731 2059 1 11 . 1 1 399 399 VAL N N 399 117.218 117.218 119.102 -1.884 25731 2060 1 11 . 1 1 399 399 VAL H H 399 6.947 6.947 7.357 -0.410 25731 2061 1 11 . 1 1 419 419 ALA N N 419 125.187 125.187 127.524 -2.337 25731 2062 1 11 . 1 1 419 419 ALA H H 419 8.324 8.324 8.625 -0.301 25731 2063 1 11 . 1 1 420 420 PHE N N 420 110.844 110.844 115.939 -5.095 25731 2064 1 11 . 1 1 420 420 PHE H H 420 7.151 7.151 7.540 -0.389 25731 2065 1 11 . 1 1 422 422 GLU N N 422 127.390 127.390 125.668 1.722 25731 2066 1 11 . 1 1 422 422 GLU H H 422 8.442 8.442 8.635 -0.193 25731 2067 1 11 . 1 1 423 423 SER N N 423 115.144 115.144 114.505 0.639 25731 2068 1 11 . 1 1 423 423 SER H H 423 8.591 8.591 7.985 0.606 25731 2069 1 11 . 1 1 425 425 GLU N N 425 128.863 128.863 128.463 0.400 25731 2070 1 11 . 1 1 425 425 GLU H H 425 8.779 8.779 8.701 0.078 25731 2071 1 11 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 2072 1 11 . 1 1 426 426 ILE H H 426 9.634 9.634 8.183 1.451 25731 2073 1 11 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 2074 1 11 . 1 1 427 427 GLY H H 427 9.038 9.038 8.516 0.522 25731 2075 1 11 . 1 1 475 475 GLN N N 475 126.671 126.671 127.063 -0.392 25731 2076 1 11 . 1 1 475 475 GLN H H 475 5.948 5.948 7.650 -1.702 25731 2077 1 11 . 1 1 481 481 VAL N N 481 123.573 123.573 122.720 0.853 25731 2078 1 11 . 1 1 481 481 VAL H H 481 6.827 6.827 7.319 -0.492 25731 2079 1 11 . 1 1 496 496 GLY N N 496 108.132 108.132 107.313 0.819 25731 2080 1 11 . 1 1 496 496 GLY H H 496 7.913 7.913 7.862 0.051 25731 2081 1 11 . 1 1 498 498 TRP N N 498 114.239 114.239 116.785 -2.546 25731 2082 1 11 . 1 1 498 498 TRP H H 498 6.657 6.657 7.790 -1.133 25731 2083 1 11 . 1 1 499 499 THR N N 499 115.578 115.578 117.613 -2.035 25731 2084 1 11 . 1 1 499 499 THR H H 499 9.872 9.872 9.483 0.389 25731 2085 1 11 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 2086 1 11 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 2087 1 11 . 1 1 558 558 THR N N 558 121.278 121.278 120.787 0.491 25731 2088 1 11 . 1 1 558 558 THR H H 558 9.116 9.116 8.661 0.455 25731 2089 1 11 . 1 1 559 559 ASP N N 559 121.304 121.304 121.129 0.175 25731 2090 1 11 . 1 1 559 559 ASP H H 559 9.227 9.227 8.622 0.605 25731 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 95 3.523 -0.345 3.524 25731 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25731 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25731 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25731 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25731 6 1 1 "Average Difference" HN 95 0.693 -0.065 0.694 25731 7 1 2 "Average Difference" N 95 3.502 -0.300 3.508 25731 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25731 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25731 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25731 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25731 12 1 2 "Average Difference" HN 95 0.693 -0.062 0.694 25731 13 1 3 "Average Difference" N 95 3.498 -0.314 3.503 25731 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25731 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25731 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25731 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25731 18 1 3 "Average Difference" HN 95 0.702 -0.072 0.702 25731 19 1 4 "Average Difference" N 95 3.504 -0.305 3.509 25731 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25731 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25731 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25731 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25731 24 1 4 "Average Difference" HN 95 0.702 -0.071 0.703 25731 25 1 5 "Average Difference" N 95 3.514 -0.310 3.519 25731 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25731 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25731 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25731 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25731 30 1 5 "Average Difference" HN 95 0.703 -0.069 0.703 25731 31 1 6 "Average Difference" N 95 3.499 -0.302 3.505 25731 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25731 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25731 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25731 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25731 36 1 6 "Average Difference" HN 95 0.691 -0.064 0.692 25731 37 1 7 "Average Difference" N 95 3.497 -0.287 3.504 25731 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25731 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25731 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25731 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25731 42 1 7 "Average Difference" HN 95 0.691 -0.064 0.691 25731 43 1 8 "Average Difference" N 95 3.506 -0.303 3.512 25731 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25731 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25731 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25731 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25731 48 1 8 "Average Difference" HN 95 0.692 -0.060 0.693 25731 49 1 9 "Average Difference" N 95 3.499 -0.303 3.505 25731 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25731 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25731 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25731 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25731 54 1 9 "Average Difference" HN 95 0.693 -0.061 0.694 25731 55 1 10 "Average Difference" N 95 3.507 -0.302 3.512 25731 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25731 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25731 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25731 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25731 60 1 10 "Average Difference" HN 95 0.693 -0.063 0.694 25731 61 1 11 "Average Difference" N 95 3.493 -0.258 3.502 25731 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25731 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25731 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25731 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25731 66 1 11 "Average Difference" HN 95 0.696 -0.059 0.697 25731 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 25731 _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 4 4 GLY N N 4 109.068 109.068 111.164 -2.096 25731 2 1 . 1 1 4 4 GLY H H 4 8.608 8.608 8.258 0.350 25731 3 1 . 1 1 5 5 ILE N N 5 131.711 131.711 120.612 11.099 25731 4 1 . 1 1 5 5 ILE H H 5 9.573 9.573 8.416 1.157 25731 5 1 . 1 1 7 7 ALA N N 7 130.884 130.884 126.040 4.844 25731 6 1 . 1 1 7 7 ALA H H 7 7.841 7.841 8.544 -0.703 25731 7 1 . 1 1 8 8 SER N N 8 111.971 111.971 112.690 -0.719 25731 8 1 . 1 1 8 8 SER H H 8 7.715 7.715 7.577 0.138 25731 9 1 . 1 1 10 10 GLY N N 10 104.297 104.297 109.426 -5.129 25731 10 1 . 1 1 10 10 GLY H H 10 6.261 6.261 7.919 -1.658 25731 11 1 . 1 1 14 14 GLY N N 14 108.348 108.348 110.756 -2.408 25731 12 1 . 1 1 14 14 GLY H H 14 8.294 8.294 8.106 0.188 25731 13 1 . 1 1 18 18 LEU N N 18 129.007 129.007 126.957 2.050 25731 14 1 . 1 1 18 18 LEU H H 18 8.839 8.839 8.463 0.376 25731 15 1 . 1 1 19 19 LEU N N 19 129.235 129.235 128.916 0.319 25731 16 1 . 1 1 19 19 LEU H H 19 8.982 8.982 8.250 0.732 25731 17 1 . 1 1 23 23 GLU N N 23 122.434 122.434 119.605 2.829 25731 18 1 . 1 1 23 23 GLU H H 23 8.471 8.471 8.448 0.023 25731 19 1 . 1 1 24 24 ILE N N 24 124.551 124.551 123.353 1.198 25731 20 1 . 1 1 24 24 ILE H H 24 8.459 8.459 8.389 0.070 25731 21 1 . 1 1 25 25 VAL N N 25 131.023 131.023 127.547 3.476 25731 22 1 . 1 1 25 25 VAL H H 25 8.087 8.087 8.225 -0.138 25731 23 1 . 1 1 26 26 ILE N N 26 126.563 126.563 126.656 -0.093 25731 24 1 . 1 1 26 26 ILE H H 26 7.994 7.994 8.332 -0.338 25731 25 1 . 1 1 27 27 ASP N N 27 128.838 128.838 127.717 1.121 25731 26 1 . 1 1 27 27 ASP H H 27 9.479 9.479 8.489 0.990 25731 27 1 . 1 1 28 28 ARG N N 28 124.609 124.609 123.764 0.845 25731 28 1 . 1 1 28 28 ARG H H 28 8.299 8.299 7.944 0.355 25731 29 1 . 1 1 29 29 LYS N N 29 123.043 123.043 121.075 1.968 25731 30 1 . 1 1 29 29 LYS H H 29 8.152 8.152 7.605 0.547 25731 31 1 . 1 1 30 30 LYS N N 30 123.947 123.947 122.895 1.052 25731 32 1 . 1 1 30 30 LYS H H 30 8.346 8.346 8.269 0.077 25731 33 1 . 1 1 32 32 SER N N 32 114.432 114.432 116.743 -2.311 25731 34 1 . 1 1 32 32 SER H H 32 8.102 8.102 9.190 -1.088 25731 35 1 . 1 1 37 37 ASP N N 37 118.749 118.749 118.596 0.153 25731 36 1 . 1 1 37 37 ASP H H 37 8.539 8.539 7.949 0.590 25731 37 1 . 1 1 40 40 VAL N N 40 122.242 122.242 120.136 2.106 25731 38 1 . 1 1 40 40 VAL H H 40 8.817 8.817 8.049 0.768 25731 39 1 . 1 1 41 41 GLU N N 41 119.003 119.003 120.106 -1.103 25731 40 1 . 1 1 41 41 GLU H H 41 7.910 7.910 7.927 -0.017 25731 41 1 . 1 1 45 45 SER N N 45 116.937 116.937 115.163 1.774 25731 42 1 . 1 1 45 45 SER H H 45 9.073 9.073 8.829 0.244 25731 43 1 . 1 1 46 46 GLY N N 46 111.188 111.188 109.374 1.814 25731 44 1 . 1 1 46 46 GLY H H 46 7.990 7.990 8.646 -0.656 25731 45 1 . 1 1 47 47 ARG N N 47 123.155 123.155 121.984 1.171 25731 46 1 . 1 1 47 47 ARG H H 47 8.755 8.755 8.491 0.264 25731 47 1 . 1 1 56 56 THR N N 56 116.925 116.925 115.808 1.117 25731 48 1 . 1 1 56 56 THR H H 56 7.602 7.602 7.528 0.074 25731 49 1 . 1 1 58 58 LYS N N 58 120.834 120.834 120.814 0.020 25731 50 1 . 1 1 58 58 LYS H H 58 8.611 8.611 7.479 1.132 25731 51 1 . 1 1 68 68 GLU N N 68 120.644 120.644 120.539 0.105 25731 52 1 . 1 1 68 68 GLU H H 68 8.986 8.986 8.781 0.205 25731 53 1 . 1 1 71 71 ALA N N 71 118.782 118.782 121.359 -2.577 25731 54 1 . 1 1 71 71 ALA H H 71 7.660 7.660 7.636 0.024 25731 55 1 . 1 1 75 75 GLY N N 75 106.782 106.782 108.613 -1.831 25731 56 1 . 1 1 75 75 GLY H H 75 7.803 7.803 8.126 -0.323 25731 57 1 . 1 1 81 81 GLU N N 81 113.885 113.885 114.912 -1.027 25731 58 1 . 1 1 81 81 GLU H H 81 7.963 7.963 7.795 0.168 25731 59 1 . 1 1 83 83 GLU N N 83 129.401 129.401 127.077 2.324 25731 60 1 . 1 1 83 83 GLU H H 83 9.055 9.055 8.953 0.102 25731 61 1 . 1 1 92 92 LEU N N 92 118.295 118.295 119.107 -0.812 25731 62 1 . 1 1 92 92 LEU H H 92 7.422 7.422 7.589 -0.167 25731 63 1 . 1 1 93 93 ILE N N 93 120.627 120.627 120.057 0.570 25731 64 1 . 1 1 93 93 ILE H H 93 7.601 7.601 7.536 0.065 25731 65 1 . 1 1 94 94 LYS N N 94 115.650 115.650 118.427 -2.777 25731 66 1 . 1 1 94 94 LYS H H 94 8.498 8.498 8.221 0.277 25731 67 1 . 1 1 96 96 LYS N N 96 115.886 115.886 116.410 -0.524 25731 68 1 . 1 1 96 96 LYS H H 96 7.154 7.154 8.074 -0.920 25731 69 1 . 1 1 100 100 ALA N N 100 121.819 121.819 124.428 -2.609 25731 70 1 . 1 1 100 100 ALA H H 100 10.542 10.542 8.263 2.279 25731 71 1 . 1 1 101 101 ASP N N 101 109.661 109.661 117.290 -7.629 25731 72 1 . 1 1 101 101 ASP H H 101 9.437 9.437 8.743 0.694 25731 73 1 . 1 1 104 104 ALA N N 104 118.118 118.118 120.875 -2.757 25731 74 1 . 1 1 104 104 ALA H H 104 8.328 8.328 8.160 0.168 25731 75 1 . 1 1 110 110 GLY N N 110 108.385 108.385 107.918 0.467 25731 76 1 . 1 1 110 110 GLY H H 110 7.984 7.984 8.496 -0.512 25731 77 1 . 1 1 113 113 SER N N 113 112.590 112.590 114.918 -2.328 25731 78 1 . 1 1 113 113 SER H H 113 8.406 8.406 8.541 -0.135 25731 79 1 . 1 1 115 115 LEU N N 115 118.313 118.313 118.535 -0.222 25731 80 1 . 1 1 115 115 LEU H H 115 7.467 7.467 7.905 -0.438 25731 81 1 . 1 1 116 116 GLU N N 116 116.378 116.378 120.071 -3.693 25731 82 1 . 1 1 116 116 GLU H H 116 7.756 7.756 8.037 -0.281 25731 83 1 . 1 1 117 117 GLU N N 117 117.307 117.307 116.671 0.636 25731 84 1 . 1 1 117 117 GLU H H 117 7.446 7.446 7.520 -0.074 25731 85 1 . 1 1 118 118 LEU N N 118 119.474 119.474 121.643 -2.169 25731 86 1 . 1 1 118 118 LEU H H 118 7.218 7.218 7.522 -0.304 25731 87 1 . 1 1 122 122 TYR N N 122 119.867 119.867 120.489 -0.622 25731 88 1 . 1 1 122 122 TYR H H 122 8.258 8.258 8.540 -0.282 25731 89 1 . 1 1 134 134 GLY N N 134 109.570 109.570 106.465 3.105 25731 90 1 . 1 1 134 134 GLY H H 134 8.746 8.746 7.631 1.115 25731 91 1 . 1 1 138 138 LEU N N 138 119.451 119.451 118.545 0.906 25731 92 1 . 1 1 138 138 LEU H H 138 8.921 8.921 7.734 1.187 25731 93 1 . 1 1 143 143 GLY N N 143 109.192 109.192 105.343 3.849 25731 94 1 . 1 1 143 143 GLY H H 143 7.673 7.673 8.200 -0.527 25731 95 1 . 1 1 146 146 ILE N N 146 126.426 126.426 124.838 1.588 25731 96 1 . 1 1 146 146 ILE H H 146 8.295 8.295 8.641 -0.346 25731 97 1 . 1 1 148 148 ASP N N 148 126.756 126.756 126.964 -0.208 25731 98 1 . 1 1 148 148 ASP H H 148 8.369 8.369 8.479 -0.110 25731 99 1 . 1 1 151 151 ALA N N 151 125.461 125.461 124.378 1.083 25731 100 1 . 1 1 151 151 ALA H H 151 7.407 7.407 7.453 -0.046 25731 101 1 . 1 1 152 152 ILE N N 152 119.784 119.784 119.242 0.542 25731 102 1 . 1 1 152 152 ILE H H 152 6.746 6.746 7.689 -0.943 25731 103 1 . 1 1 158 158 LEU N N 158 127.511 127.511 127.404 0.107 25731 104 1 . 1 1 158 158 LEU H H 158 8.058 8.058 8.071 -0.013 25731 105 1 . 1 1 161 161 ALA N N 161 125.207 125.207 121.698 3.509 25731 106 1 . 1 1 161 161 ALA H H 161 9.201 9.201 8.866 0.335 25731 107 1 . 1 1 162 162 ASP N N 162 110.996 110.996 113.742 -2.746 25731 108 1 . 1 1 162 162 ASP H H 162 7.475 7.475 7.886 -0.411 25731 109 1 . 1 1 181 181 THR N N 181 111.899 111.899 120.533 -8.634 25731 110 1 . 1 1 181 181 THR H H 181 8.354 8.354 8.469 -0.115 25731 111 1 . 1 1 206 206 GLY N N 206 117.211 117.211 107.916 9.295 25731 112 1 . 1 1 206 206 GLY H H 206 10.135 10.135 8.716 1.419 25731 113 1 . 1 1 207 207 SER N N 207 112.839 112.839 112.468 0.371 25731 114 1 . 1 1 207 207 SER H H 207 7.865 7.865 7.527 0.338 25731 115 1 . 1 1 208 208 VAL N N 208 128.351 128.351 121.093 7.258 25731 116 1 . 1 1 208 208 VAL H H 208 7.799 7.799 8.009 -0.210 25731 117 1 . 1 1 209 209 THR N N 209 113.459 113.459 114.591 -1.132 25731 118 1 . 1 1 209 209 THR H H 209 9.742 9.742 8.094 1.648 25731 119 1 . 1 1 210 210 SER N N 210 114.577 114.577 112.901 1.676 25731 120 1 . 1 1 210 210 SER H H 210 7.630 7.630 8.437 -0.807 25731 121 1 . 1 1 212 212 VAL N N 212 119.189 119.189 120.212 -1.023 25731 122 1 . 1 1 212 212 VAL H H 212 7.299 7.299 7.465 -0.166 25731 123 1 . 1 1 213 213 LYS N N 213 124.796 124.796 124.305 0.491 25731 124 1 . 1 1 213 213 LYS H H 213 8.871 8.871 9.621 -0.750 25731 125 1 . 1 1 214 214 ASN N N 214 118.397 118.397 120.356 -1.959 25731 126 1 . 1 1 214 214 ASN H H 214 8.508 8.508 8.390 0.118 25731 127 1 . 1 1 220 220 LEU N N 220 130.815 130.815 128.863 1.952 25731 128 1 . 1 1 220 220 LEU H H 220 9.089 9.089 8.345 0.744 25731 129 1 . 1 1 222 222 ALA N N 222 128.761 128.761 120.173 8.588 25731 130 1 . 1 1 222 222 ALA H H 222 8.440 8.440 8.545 -0.105 25731 131 1 . 1 1 229 229 VAL N N 229 123.649 123.649 125.098 -1.449 25731 132 1 . 1 1 229 229 VAL H H 229 8.483 8.483 8.633 -0.150 25731 133 1 . 1 1 230 230 ASN N N 230 124.668 124.668 125.795 -1.127 25731 134 1 . 1 1 230 230 ASN H H 230 10.129 10.129 8.526 1.603 25731 135 1 . 1 1 232 232 THR N N 232 109.569 109.569 115.627 -6.058 25731 136 1 . 1 1 232 232 THR H H 232 7.786 7.786 8.075 -0.289 25731 137 1 . 1 1 283 283 GLY N N 283 107.398 107.398 107.158 0.240 25731 138 1 . 1 1 283 283 GLY H H 283 8.129 8.129 8.307 -0.178 25731 139 1 . 1 1 288 288 GLY N N 288 106.551 106.551 107.067 -0.516 25731 140 1 . 1 1 288 288 GLY H H 288 7.774 7.774 7.505 0.269 25731 141 1 . 1 1 291 291 GLY N N 291 106.112 106.112 104.532 1.580 25731 142 1 . 1 1 291 291 GLY H H 291 7.360 7.360 7.410 -0.050 25731 143 1 . 1 1 330 330 ILE N N 330 125.891 125.891 128.546 -2.655 25731 144 1 . 1 1 330 330 ILE H H 330 7.596 7.596 8.289 -0.693 25731 145 1 . 1 1 331 331 VAL N N 331 130.011 130.011 128.111 1.900 25731 146 1 . 1 1 331 331 VAL H H 331 8.978 8.978 8.901 0.077 25731 147 1 . 1 1 332 332 ARG N N 332 128.386 128.386 128.587 -0.201 25731 148 1 . 1 1 332 332 ARG H H 332 7.923 7.923 8.446 -0.523 25731 149 1 . 1 1 368 368 GLU N N 368 120.295 120.295 118.327 1.968 25731 150 1 . 1 1 368 368 GLU H H 368 9.831 9.831 8.789 1.042 25731 151 1 . 1 1 370 370 LEU N N 370 121.704 121.704 121.805 -0.101 25731 152 1 . 1 1 370 370 LEU H H 370 6.739 6.739 7.599 -0.860 25731 153 1 . 1 1 373 373 GLN N N 373 115.819 115.819 120.584 -4.765 25731 154 1 . 1 1 373 373 GLN H H 373 7.260 7.260 7.789 -0.529 25731 155 1 . 1 1 384 384 GLY N N 384 106.461 106.461 106.002 0.459 25731 156 1 . 1 1 384 384 GLY H H 384 7.286 7.286 7.302 -0.017 25731 157 1 . 1 1 386 386 LEU N N 386 126.834 126.834 126.986 -0.152 25731 158 1 . 1 1 386 386 LEU H H 386 9.300 9.300 8.147 1.153 25731 159 1 . 1 1 399 399 VAL N N 399 117.218 117.218 119.102 -1.884 25731 160 1 . 1 1 399 399 VAL H H 399 6.947 6.947 7.357 -0.410 25731 161 1 . 1 1 419 419 ALA N N 419 125.187 125.187 127.543 -2.356 25731 162 1 . 1 1 419 419 ALA H H 419 8.324 8.324 8.626 -0.302 25731 163 1 . 1 1 420 420 PHE N N 420 110.844 110.844 115.969 -5.125 25731 164 1 . 1 1 420 420 PHE H H 420 7.151 7.151 7.556 -0.405 25731 165 1 . 1 1 422 422 GLU N N 422 127.390 127.390 125.661 1.729 25731 166 1 . 1 1 422 422 GLU H H 422 8.442 8.442 8.627 -0.185 25731 167 1 . 1 1 423 423 SER N N 423 115.144 115.144 114.506 0.638 25731 168 1 . 1 1 423 423 SER H H 423 8.591 8.591 7.982 0.609 25731 169 1 . 1 1 425 425 GLU N N 425 128.863 128.863 128.467 0.396 25731 170 1 . 1 1 425 425 GLU H H 425 8.779 8.779 8.701 0.078 25731 171 1 . 1 1 426 426 ILE N N 426 122.399 122.399 121.520 0.879 25731 172 1 . 1 1 426 426 ILE H H 426 9.634 9.634 8.182 1.452 25731 173 1 . 1 1 427 427 GLY N N 427 116.513 116.513 112.234 4.279 25731 174 1 . 1 1 427 427 GLY H H 427 9.038 9.038 8.515 0.523 25731 175 1 . 1 1 475 475 GLN N N 475 126.671 126.671 127.074 -0.403 25731 176 1 . 1 1 475 475 GLN H H 475 5.948 5.948 7.653 -1.705 25731 177 1 . 1 1 481 481 VAL N N 481 123.573 123.573 122.720 0.853 25731 178 1 . 1 1 481 481 VAL H H 481 6.827 6.827 7.320 -0.493 25731 179 1 . 1 1 496 496 GLY N N 496 108.132 108.132 107.312 0.820 25731 180 1 . 1 1 496 496 GLY H H 496 7.913 7.913 7.861 0.052 25731 181 1 . 1 1 498 498 TRP N N 498 114.239 114.239 116.765 -2.526 25731 182 1 . 1 1 498 498 TRP H H 498 6.657 6.657 7.790 -1.133 25731 183 1 . 1 1 499 499 THR N N 499 115.578 115.578 117.587 -2.009 25731 184 1 . 1 1 499 499 THR H H 499 9.872 9.872 9.277 0.595 25731 185 1 . 1 1 557 557 THR N N 557 132.226 132.226 114.823 17.403 25731 186 1 . 1 1 557 557 THR H H 557 6.536 6.536 7.386 -0.850 25731 187 1 . 1 1 558 558 THR N N 558 121.278 121.278 120.782 0.496 25731 188 1 . 1 1 558 558 THR H H 558 9.116 9.116 8.662 0.454 25731 189 1 . 1 1 559 559 ASP N N 559 121.304 121.304 121.127 0.177 25731 190 1 . 1 1 559 559 ASP H H 559 9.227 9.227 8.623 0.605 25731 stop_ save_