data_17699 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17699 _Entry.PDB_ID 2LE7 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 17699 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL HA H 533 4.157 4.157 3.910 0.247 17699 2 1 1 . 1 1 2 2 VAL H H 533 8.690 8.690 8.556 0.134 17699 3 1 1 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.282 0.064 17699 4 1 1 . 1 1 3 3 ARG H H 534 8.630 8.630 8.611 0.019 17699 5 1 1 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.986 0.084 17699 6 1 1 . 1 1 4 4 VAL H H 535 8.244 8.244 7.642 0.602 17699 7 1 1 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.620 -0.356 17699 8 1 1 . 1 1 5 5 ALA H H 536 8.435 8.435 7.579 0.856 17699 9 1 1 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.386 -0.039 17699 10 1 1 . 1 1 6 6 ARG H H 537 8.264 8.264 8.411 -0.147 17699 11 1 1 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.052 0.297 17699 12 1 1 . 1 1 7 7 LYS H H 538 8.377 8.377 7.726 0.651 17699 13 1 1 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.045 0.143 17699 14 1 1 . 1 1 8 8 LEU H H 539 8.136 8.136 8.891 -0.755 17699 15 1 1 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.759 -0.326 17699 16 1 1 . 1 1 9 9 ASP H H 540 8.037 8.037 8.348 -0.311 17699 17 1 1 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.672 -0.506 17699 18 1 1 . 1 1 10 10 ARG H H 541 8.127 8.127 7.956 0.171 17699 19 1 1 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.455 0.077 17699 20 1 1 . 1 1 11 11 TYR H H 542 8.032 8.032 8.067 -0.035 17699 21 1 1 . 1 1 12 12 SER HA H 543 4.163 4.163 3.775 0.388 17699 22 1 1 . 1 1 12 12 SER H H 543 8.329 8.329 8.532 -0.203 17699 23 1 1 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.246 -0.114 17699 24 1 1 . 1 1 13 13 GLU H H 544 8.265 8.265 7.697 0.568 17699 25 1 1 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.719 -0.305 17699 26 1 1 . 1 1 14 14 TYR H H 545 7.910 7.910 7.438 0.472 17699 27 1 1 . 1 1 15 15 GLY H H 546 8.464 8.464 8.535 -0.071 17699 28 1 1 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.312 -0.236 17699 29 1 1 . 1 1 16 16 ALA H H 547 8.457 8.457 8.197 0.260 17699 30 1 1 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.485 -0.333 17699 31 1 1 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699 32 1 1 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.130 -0.299 17699 33 1 1 . 1 1 18 18 VAL H H 549 7.678 7.678 8.186 -0.508 17699 34 1 1 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699 35 1 1 . 1 1 19 19 LEU H H 550 7.737 7.737 7.919 -0.182 17699 36 1 2 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.437 -0.280 17699 37 1 2 . 1 1 2 2 VAL H H 533 8.690 8.690 8.645 0.045 17699 38 1 2 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.417 -0.071 17699 39 1 2 . 1 1 3 3 ARG H H 534 8.630 8.630 8.555 0.075 17699 40 1 2 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.891 0.179 17699 41 1 2 . 1 1 4 4 VAL H H 535 8.244 8.244 8.155 0.089 17699 42 1 2 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.559 -0.295 17699 43 1 2 . 1 1 5 5 ALA H H 536 8.435 8.435 7.486 0.949 17699 44 1 2 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.477 -0.130 17699 45 1 2 . 1 1 6 6 ARG H H 537 8.264 8.264 8.601 -0.337 17699 46 1 2 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.159 0.190 17699 47 1 2 . 1 1 7 7 LYS H H 538 8.377 8.377 7.654 0.723 17699 48 1 2 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.039 0.149 17699 49 1 2 . 1 1 8 8 LEU H H 539 8.136 8.136 9.023 -0.887 17699 50 1 2 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.727 -0.294 17699 51 1 2 . 1 1 9 9 ASP H H 540 8.037 8.037 8.182 -0.145 17699 52 1 2 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.662 -0.496 17699 53 1 2 . 1 1 10 10 ARG H H 541 8.127 8.127 7.872 0.255 17699 54 1 2 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.487 0.045 17699 55 1 2 . 1 1 11 11 TYR H H 542 8.032 8.032 8.184 -0.152 17699 56 1 2 . 1 1 12 12 SER HA H 543 4.163 4.163 3.772 0.391 17699 57 1 2 . 1 1 12 12 SER H H 543 8.329 8.329 8.530 -0.201 17699 58 1 2 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.256 -0.124 17699 59 1 2 . 1 1 13 13 GLU H H 544 8.265 8.265 7.803 0.462 17699 60 1 2 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.702 -0.288 17699 61 1 2 . 1 1 14 14 TYR H H 545 7.910 7.910 7.410 0.500 17699 62 1 2 . 1 1 15 15 GLY H H 546 8.464 8.464 8.498 -0.034 17699 63 1 2 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.282 -0.206 17699 64 1 2 . 1 1 16 16 ALA H H 547 8.457 8.457 8.165 0.292 17699 65 1 2 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699 66 1 2 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699 67 1 2 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.141 -0.310 17699 68 1 2 . 1 1 18 18 VAL H H 549 7.678 7.678 8.012 -0.334 17699 69 1 2 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.442 -0.426 17699 70 1 2 . 1 1 19 19 LEU H H 550 7.737 7.737 8.065 -0.328 17699 71 1 3 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.366 -0.209 17699 72 1 3 . 1 1 2 2 VAL H H 533 8.690 8.690 8.661 0.029 17699 73 1 3 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.398 -0.052 17699 74 1 3 . 1 1 3 3 ARG H H 534 8.630 8.630 8.597 0.033 17699 75 1 3 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.898 0.172 17699 76 1 3 . 1 1 4 4 VAL H H 535 8.244 8.244 8.114 0.130 17699 77 1 3 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.534 -0.270 17699 78 1 3 . 1 1 5 5 ALA H H 536 8.435 8.435 7.482 0.953 17699 79 1 3 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.465 -0.118 17699 80 1 3 . 1 1 6 6 ARG H H 537 8.264 8.264 8.555 -0.291 17699 81 1 3 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.054 0.295 17699 82 1 3 . 1 1 7 7 LYS H H 538 8.377 8.377 7.769 0.608 17699 83 1 3 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.059 0.129 17699 84 1 3 . 1 1 8 8 LEU H H 539 8.136 8.136 8.888 -0.752 17699 85 1 3 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.745 -0.312 17699 86 1 3 . 1 1 9 9 ASP H H 540 8.037 8.037 8.286 -0.249 17699 87 1 3 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.672 -0.506 17699 88 1 3 . 1 1 10 10 ARG H H 541 8.127 8.127 8.033 0.094 17699 89 1 3 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.410 0.122 17699 90 1 3 . 1 1 11 11 TYR H H 542 8.032 8.032 8.123 -0.091 17699 91 1 3 . 1 1 12 12 SER HA H 543 4.163 4.163 3.738 0.425 17699 92 1 3 . 1 1 12 12 SER H H 543 8.329 8.329 8.515 -0.186 17699 93 1 3 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.235 -0.103 17699 94 1 3 . 1 1 13 13 GLU H H 544 8.265 8.265 7.695 0.570 17699 95 1 3 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.721 -0.307 17699 96 1 3 . 1 1 14 14 TYR H H 545 7.910 7.910 7.526 0.384 17699 97 1 3 . 1 1 15 15 GLY H H 546 8.464 8.464 8.510 -0.046 17699 98 1 3 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.302 -0.226 17699 99 1 3 . 1 1 16 16 ALA H H 547 8.457 8.457 8.127 0.330 17699 100 1 3 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.485 -0.333 17699 101 1 3 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699 102 1 3 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.150 -0.319 17699 103 1 3 . 1 1 18 18 VAL H H 549 7.678 7.678 8.005 -0.327 17699 104 1 3 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.447 -0.431 17699 105 1 3 . 1 1 19 19 LEU H H 550 7.737 7.737 8.017 -0.280 17699 106 1 4 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.087 0.070 17699 107 1 4 . 1 1 2 2 VAL H H 533 8.690 8.690 8.450 0.240 17699 108 1 4 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.314 0.032 17699 109 1 4 . 1 1 3 3 ARG H H 534 8.630 8.630 8.610 0.020 17699 110 1 4 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.952 0.118 17699 111 1 4 . 1 1 4 4 VAL H H 535 8.244 8.244 7.649 0.595 17699 112 1 4 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.491 -0.227 17699 113 1 4 . 1 1 5 5 ALA H H 536 8.435 8.435 7.510 0.925 17699 114 1 4 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.437 -0.090 17699 115 1 4 . 1 1 6 6 ARG H H 537 8.264 8.264 8.441 -0.177 17699 116 1 4 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.122 0.227 17699 117 1 4 . 1 1 7 7 LYS H H 538 8.377 8.377 7.631 0.746 17699 118 1 4 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.010 0.178 17699 119 1 4 . 1 1 8 8 LEU H H 539 8.136 8.136 8.975 -0.839 17699 120 1 4 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.808 -0.375 17699 121 1 4 . 1 1 9 9 ASP H H 540 8.037 8.037 8.204 -0.167 17699 122 1 4 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.579 -0.413 17699 123 1 4 . 1 1 10 10 ARG H H 541 8.127 8.127 7.901 0.226 17699 124 1 4 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.461 0.071 17699 125 1 4 . 1 1 11 11 TYR H H 542 8.032 8.032 8.225 -0.193 17699 126 1 4 . 1 1 12 12 SER HA H 543 4.163 4.163 3.763 0.400 17699 127 1 4 . 1 1 12 12 SER H H 543 8.329 8.329 8.522 -0.193 17699 128 1 4 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.257 -0.125 17699 129 1 4 . 1 1 13 13 GLU H H 544 8.265 8.265 7.770 0.495 17699 130 1 4 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699 131 1 4 . 1 1 14 14 TYR H H 545 7.910 7.910 7.366 0.544 17699 132 1 4 . 1 1 15 15 GLY H H 546 8.464 8.464 8.515 -0.051 17699 133 1 4 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.295 -0.219 17699 134 1 4 . 1 1 16 16 ALA H H 547 8.457 8.457 8.127 0.330 17699 135 1 4 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.489 -0.337 17699 136 1 4 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699 137 1 4 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.130 -0.299 17699 138 1 4 . 1 1 18 18 VAL H H 549 7.678 7.678 8.080 -0.402 17699 139 1 4 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.436 -0.420 17699 140 1 4 . 1 1 19 19 LEU H H 550 7.737 7.737 7.993 -0.256 17699 141 1 5 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.037 0.120 17699 142 1 5 . 1 1 2 2 VAL H H 533 8.690 8.690 8.489 0.201 17699 143 1 5 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.362 -0.016 17699 144 1 5 . 1 1 3 3 ARG H H 534 8.630 8.630 8.525 0.105 17699 145 1 5 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.973 0.097 17699 146 1 5 . 1 1 4 4 VAL H H 535 8.244 8.244 7.883 0.361 17699 147 1 5 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.506 -0.242 17699 148 1 5 . 1 1 5 5 ALA H H 536 8.435 8.435 7.460 0.975 17699 149 1 5 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.395 -0.048 17699 150 1 5 . 1 1 6 6 ARG H H 537 8.264 8.264 8.471 -0.207 17699 151 1 5 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.116 0.233 17699 152 1 5 . 1 1 7 7 LYS H H 538 8.377 8.377 7.581 0.796 17699 153 1 5 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.974 0.214 17699 154 1 5 . 1 1 8 8 LEU H H 539 8.136 8.136 8.986 -0.850 17699 155 1 5 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.722 -0.289 17699 156 1 5 . 1 1 9 9 ASP H H 540 8.037 8.037 8.217 -0.180 17699 157 1 5 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.678 -0.512 17699 158 1 5 . 1 1 10 10 ARG H H 541 8.127 8.127 7.847 0.280 17699 159 1 5 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.483 0.049 17699 160 1 5 . 1 1 11 11 TYR H H 542 8.032 8.032 8.198 -0.166 17699 161 1 5 . 1 1 12 12 SER HA H 543 4.163 4.163 3.761 0.402 17699 162 1 5 . 1 1 12 12 SER H H 543 8.329 8.329 8.542 -0.213 17699 163 1 5 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.253 -0.121 17699 164 1 5 . 1 1 13 13 GLU H H 544 8.265 8.265 7.741 0.524 17699 165 1 5 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699 166 1 5 . 1 1 14 14 TYR H H 545 7.910 7.910 7.344 0.566 17699 167 1 5 . 1 1 15 15 GLY H H 546 8.464 8.464 8.516 -0.052 17699 168 1 5 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.283 -0.207 17699 169 1 5 . 1 1 16 16 ALA H H 547 8.457 8.457 8.106 0.351 17699 170 1 5 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.493 -0.341 17699 171 1 5 . 1 1 17 17 ALA H H 548 7.873 7.873 7.797 0.076 17699 172 1 5 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.142 -0.311 17699 173 1 5 . 1 1 18 18 VAL H H 549 7.678 7.678 8.035 -0.357 17699 174 1 5 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.440 -0.424 17699 175 1 5 . 1 1 19 19 LEU H H 550 7.737 7.737 8.042 -0.305 17699 176 1 6 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.128 0.029 17699 177 1 6 . 1 1 2 2 VAL H H 533 8.690 8.690 8.434 0.256 17699 178 1 6 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.354 -0.008 17699 179 1 6 . 1 1 3 3 ARG H H 534 8.630 8.630 8.573 0.057 17699 180 1 6 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.073 -0.003 17699 181 1 6 . 1 1 4 4 VAL H H 535 8.244 8.244 8.105 0.139 17699 182 1 6 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.604 -0.340 17699 183 1 6 . 1 1 5 5 ALA H H 536 8.435 8.435 7.544 0.891 17699 184 1 6 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.420 -0.073 17699 185 1 6 . 1 1 6 6 ARG H H 537 8.264 8.264 8.488 -0.224 17699 186 1 6 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.061 0.288 17699 187 1 6 . 1 1 7 7 LYS H H 538 8.377 8.377 7.579 0.798 17699 188 1 6 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.015 0.173 17699 189 1 6 . 1 1 8 8 LEU H H 539 8.136 8.136 9.061 -0.925 17699 190 1 6 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.778 -0.345 17699 191 1 6 . 1 1 9 9 ASP H H 540 8.037 8.037 8.244 -0.207 17699 192 1 6 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.567 -0.401 17699 193 1 6 . 1 1 10 10 ARG H H 541 8.127 8.127 8.130 -0.003 17699 194 1 6 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.460 0.072 17699 195 1 6 . 1 1 11 11 TYR H H 542 8.032 8.032 8.122 -0.090 17699 196 1 6 . 1 1 12 12 SER HA H 543 4.163 4.163 3.760 0.403 17699 197 1 6 . 1 1 12 12 SER H H 543 8.329 8.329 8.536 -0.207 17699 198 1 6 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.251 -0.119 17699 199 1 6 . 1 1 13 13 GLU H H 544 8.265 8.265 7.807 0.458 17699 200 1 6 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699 201 1 6 . 1 1 14 14 TYR H H 545 7.910 7.910 7.425 0.485 17699 202 1 6 . 1 1 15 15 GLY H H 546 8.464 8.464 8.525 -0.061 17699 203 1 6 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.296 -0.220 17699 204 1 6 . 1 1 16 16 ALA H H 547 8.457 8.457 8.184 0.273 17699 205 1 6 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.474 -0.322 17699 206 1 6 . 1 1 17 17 ALA H H 548 7.873 7.873 7.711 0.162 17699 207 1 6 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.061 -0.230 17699 208 1 6 . 1 1 18 18 VAL H H 549 7.678 7.678 8.106 -0.428 17699 209 1 6 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699 210 1 6 . 1 1 19 19 LEU H H 550 7.737 7.737 7.978 -0.241 17699 211 1 7 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.497 -0.340 17699 212 1 7 . 1 1 2 2 VAL H H 533 8.690 8.690 8.032 0.658 17699 213 1 7 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.488 -0.142 17699 214 1 7 . 1 1 3 3 ARG H H 534 8.630 8.630 8.481 0.149 17699 215 1 7 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.900 0.170 17699 216 1 7 . 1 1 4 4 VAL H H 535 8.244 8.244 7.955 0.289 17699 217 1 7 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.443 -0.179 17699 218 1 7 . 1 1 5 5 ALA H H 536 8.435 8.435 7.552 0.883 17699 219 1 7 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.430 -0.083 17699 220 1 7 . 1 1 6 6 ARG H H 537 8.264 8.264 8.541 -0.277 17699 221 1 7 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.020 0.329 17699 222 1 7 . 1 1 7 7 LYS H H 538 8.377 8.377 7.779 0.598 17699 223 1 7 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.084 0.104 17699 224 1 7 . 1 1 8 8 LEU H H 539 8.136 8.136 9.148 -1.012 17699 225 1 7 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.760 -0.327 17699 226 1 7 . 1 1 9 9 ASP H H 540 8.037 8.037 8.207 -0.170 17699 227 1 7 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.567 -0.401 17699 228 1 7 . 1 1 10 10 ARG H H 541 8.127 8.127 7.940 0.187 17699 229 1 7 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.494 0.038 17699 230 1 7 . 1 1 11 11 TYR H H 542 8.032 8.032 8.194 -0.162 17699 231 1 7 . 1 1 12 12 SER HA H 543 4.163 4.163 3.810 0.353 17699 232 1 7 . 1 1 12 12 SER H H 543 8.329 8.329 8.569 -0.240 17699 233 1 7 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.270 -0.138 17699 234 1 7 . 1 1 13 13 GLU H H 544 8.265 8.265 7.738 0.527 17699 235 1 7 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699 236 1 7 . 1 1 14 14 TYR H H 545 7.910 7.910 7.348 0.562 17699 237 1 7 . 1 1 15 15 GLY H H 546 8.464 8.464 8.533 -0.069 17699 238 1 7 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.291 -0.215 17699 239 1 7 . 1 1 16 16 ALA H H 547 8.457 8.457 8.093 0.364 17699 240 1 7 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.483 -0.331 17699 241 1 7 . 1 1 17 17 ALA H H 548 7.873 7.873 7.737 0.136 17699 242 1 7 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.126 -0.295 17699 243 1 7 . 1 1 18 18 VAL H H 549 7.678 7.678 8.275 -0.597 17699 244 1 7 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.415 -0.399 17699 245 1 7 . 1 1 19 19 LEU H H 550 7.737 7.737 7.891 -0.154 17699 246 1 8 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.589 -0.432 17699 247 1 8 . 1 1 2 2 VAL H H 533 8.690 8.690 8.124 0.566 17699 248 1 8 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.444 -0.098 17699 249 1 8 . 1 1 3 3 ARG H H 534 8.630 8.630 8.488 0.142 17699 250 1 8 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.899 0.171 17699 251 1 8 . 1 1 4 4 VAL H H 535 8.244 8.244 7.941 0.303 17699 252 1 8 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.488 -0.224 17699 253 1 8 . 1 1 5 5 ALA H H 536 8.435 8.435 7.555 0.880 17699 254 1 8 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.468 -0.121 17699 255 1 8 . 1 1 6 6 ARG H H 537 8.264 8.264 8.633 -0.369 17699 256 1 8 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.084 0.265 17699 257 1 8 . 1 1 7 7 LYS H H 538 8.377 8.377 7.749 0.628 17699 258 1 8 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.986 0.202 17699 259 1 8 . 1 1 8 8 LEU H H 539 8.136 8.136 9.112 -0.976 17699 260 1 8 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.783 -0.350 17699 261 1 8 . 1 1 9 9 ASP H H 540 8.037 8.037 8.279 -0.242 17699 262 1 8 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.541 -0.375 17699 263 1 8 . 1 1 10 10 ARG H H 541 8.127 8.127 8.027 0.100 17699 264 1 8 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.508 0.024 17699 265 1 8 . 1 1 11 11 TYR H H 542 8.032 8.032 8.106 -0.074 17699 266 1 8 . 1 1 12 12 SER HA H 543 4.163 4.163 3.739 0.424 17699 267 1 8 . 1 1 12 12 SER H H 543 8.329 8.329 8.497 -0.168 17699 268 1 8 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.258 -0.126 17699 269 1 8 . 1 1 13 13 GLU H H 544 8.265 8.265 7.747 0.518 17699 270 1 8 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.712 -0.298 17699 271 1 8 . 1 1 14 14 TYR H H 545 7.910 7.910 7.338 0.572 17699 272 1 8 . 1 1 15 15 GLY H H 546 8.464 8.464 8.536 -0.072 17699 273 1 8 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.310 -0.234 17699 274 1 8 . 1 1 16 16 ALA H H 547 8.457 8.457 8.168 0.289 17699 275 1 8 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.498 -0.346 17699 276 1 8 . 1 1 17 17 ALA H H 548 7.873 7.873 7.773 0.100 17699 277 1 8 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.055 -0.224 17699 278 1 8 . 1 1 18 18 VAL H H 549 7.678 7.678 8.256 -0.578 17699 279 1 8 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.438 -0.422 17699 280 1 8 . 1 1 19 19 LEU H H 550 7.737 7.737 7.907 -0.170 17699 281 1 9 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.114 0.043 17699 282 1 9 . 1 1 2 2 VAL H H 533 8.690 8.690 8.133 0.557 17699 283 1 9 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.331 0.015 17699 284 1 9 . 1 1 3 3 ARG H H 534 8.630 8.630 8.687 -0.057 17699 285 1 9 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.013 0.057 17699 286 1 9 . 1 1 4 4 VAL H H 535 8.244 8.244 7.690 0.554 17699 287 1 9 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.565 -0.301 17699 288 1 9 . 1 1 5 5 ALA H H 536 8.435 8.435 7.598 0.837 17699 289 1 9 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.438 -0.091 17699 290 1 9 . 1 1 6 6 ARG H H 537 8.264 8.264 8.567 -0.303 17699 291 1 9 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.108 0.241 17699 292 1 9 . 1 1 7 7 LYS H H 538 8.377 8.377 7.695 0.682 17699 293 1 9 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.050 0.138 17699 294 1 9 . 1 1 8 8 LEU H H 539 8.136 8.136 9.035 -0.899 17699 295 1 9 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.770 -0.337 17699 296 1 9 . 1 1 9 9 ASP H H 540 8.037 8.037 8.238 -0.201 17699 297 1 9 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.560 -0.394 17699 298 1 9 . 1 1 10 10 ARG H H 541 8.127 8.127 7.864 0.263 17699 299 1 9 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.521 0.011 17699 300 1 9 . 1 1 11 11 TYR H H 542 8.032 8.032 8.209 -0.177 17699 301 1 9 . 1 1 12 12 SER HA H 543 4.163 4.163 3.794 0.369 17699 302 1 9 . 1 1 12 12 SER H H 543 8.329 8.329 8.550 -0.221 17699 303 1 9 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.267 -0.135 17699 304 1 9 . 1 1 13 13 GLU H H 544 8.265 8.265 7.713 0.552 17699 305 1 9 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.703 -0.289 17699 306 1 9 . 1 1 14 14 TYR H H 545 7.910 7.910 7.325 0.585 17699 307 1 9 . 1 1 15 15 GLY H H 546 8.464 8.464 8.525 -0.061 17699 308 1 9 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.285 -0.209 17699 309 1 9 . 1 1 16 16 ALA H H 547 8.457 8.457 8.056 0.401 17699 310 1 9 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.500 -0.348 17699 311 1 9 . 1 1 17 17 ALA H H 548 7.873 7.873 7.776 0.097 17699 312 1 9 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.049 -0.218 17699 313 1 9 . 1 1 18 18 VAL H H 549 7.678 7.678 8.270 -0.592 17699 314 1 9 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.431 -0.415 17699 315 1 9 . 1 1 19 19 LEU H H 550 7.737 7.737 7.914 -0.177 17699 316 1 10 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.531 -0.374 17699 317 1 10 . 1 1 2 2 VAL H H 533 8.690 8.690 7.954 0.736 17699 318 1 10 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.359 -0.013 17699 319 1 10 . 1 1 3 3 ARG H H 534 8.630 8.630 8.510 0.120 17699 320 1 10 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.037 0.033 17699 321 1 10 . 1 1 4 4 VAL H H 535 8.244 8.244 8.072 0.172 17699 322 1 10 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.518 -0.254 17699 323 1 10 . 1 1 5 5 ALA H H 536 8.435 8.435 7.514 0.921 17699 324 1 10 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.475 -0.128 17699 325 1 10 . 1 1 6 6 ARG H H 537 8.264 8.264 8.439 -0.175 17699 326 1 10 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.076 0.273 17699 327 1 10 . 1 1 7 7 LYS H H 538 8.377 8.377 7.829 0.548 17699 328 1 10 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.066 0.122 17699 329 1 10 . 1 1 8 8 LEU H H 539 8.136 8.136 9.023 -0.887 17699 330 1 10 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.762 -0.329 17699 331 1 10 . 1 1 9 9 ASP H H 540 8.037 8.037 8.385 -0.348 17699 332 1 10 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.656 -0.490 17699 333 1 10 . 1 1 10 10 ARG H H 541 8.127 8.127 8.091 0.036 17699 334 1 10 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.416 0.116 17699 335 1 10 . 1 1 11 11 TYR H H 542 8.032 8.032 8.215 -0.183 17699 336 1 10 . 1 1 12 12 SER HA H 543 4.163 4.163 3.718 0.445 17699 337 1 10 . 1 1 12 12 SER H H 543 8.329 8.329 8.496 -0.167 17699 338 1 10 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.239 -0.107 17699 339 1 10 . 1 1 13 13 GLU H H 544 8.265 8.265 7.734 0.531 17699 340 1 10 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.725 -0.311 17699 341 1 10 . 1 1 14 14 TYR H H 545 7.910 7.910 7.420 0.490 17699 342 1 10 . 1 1 15 15 GLY H H 546 8.464 8.464 8.538 -0.074 17699 343 1 10 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.338 -0.262 17699 344 1 10 . 1 1 16 16 ALA H H 547 8.457 8.457 8.184 0.273 17699 345 1 10 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.487 -0.335 17699 346 1 10 . 1 1 17 17 ALA H H 548 7.873 7.873 7.782 0.091 17699 347 1 10 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.122 -0.291 17699 348 1 10 . 1 1 18 18 VAL H H 549 7.678 7.678 8.262 -0.584 17699 349 1 10 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.435 -0.419 17699 350 1 10 . 1 1 19 19 LEU H H 550 7.737 7.737 7.838 -0.101 17699 351 1 11 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.497 -0.340 17699 352 1 11 . 1 1 2 2 VAL H H 533 8.690 8.690 7.894 0.796 17699 353 1 11 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.397 -0.051 17699 354 1 11 . 1 1 3 3 ARG H H 534 8.630 8.630 8.637 -0.007 17699 355 1 11 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.890 0.180 17699 356 1 11 . 1 1 4 4 VAL H H 535 8.244 8.244 8.110 0.134 17699 357 1 11 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.478 -0.214 17699 358 1 11 . 1 1 5 5 ALA H H 536 8.435 8.435 7.631 0.804 17699 359 1 11 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.437 -0.090 17699 360 1 11 . 1 1 6 6 ARG H H 537 8.264 8.264 8.611 -0.347 17699 361 1 11 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.115 0.234 17699 362 1 11 . 1 1 7 7 LYS H H 538 8.377 8.377 7.785 0.592 17699 363 1 11 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.082 0.106 17699 364 1 11 . 1 1 8 8 LEU H H 539 8.136 8.136 8.964 -0.828 17699 365 1 11 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.859 -0.426 17699 366 1 11 . 1 1 9 9 ASP H H 540 8.037 8.037 8.333 -0.296 17699 367 1 11 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.662 -0.496 17699 368 1 11 . 1 1 10 10 ARG H H 541 8.127 8.127 8.032 0.095 17699 369 1 11 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.421 0.111 17699 370 1 11 . 1 1 11 11 TYR H H 542 8.032 8.032 8.172 -0.140 17699 371 1 11 . 1 1 12 12 SER HA H 543 4.163 4.163 3.724 0.439 17699 372 1 11 . 1 1 12 12 SER H H 543 8.329 8.329 8.534 -0.205 17699 373 1 11 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.241 -0.109 17699 374 1 11 . 1 1 13 13 GLU H H 544 8.265 8.265 7.734 0.531 17699 375 1 11 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.725 -0.311 17699 376 1 11 . 1 1 14 14 TYR H H 545 7.910 7.910 7.379 0.531 17699 377 1 11 . 1 1 15 15 GLY H H 546 8.464 8.464 8.545 -0.081 17699 378 1 11 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.335 -0.259 17699 379 1 11 . 1 1 16 16 ALA H H 547 8.457 8.457 8.178 0.279 17699 380 1 11 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.451 -0.299 17699 381 1 11 . 1 1 17 17 ALA H H 548 7.873 7.873 7.691 0.182 17699 382 1 11 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.131 -0.300 17699 383 1 11 . 1 1 18 18 VAL H H 549 7.678 7.678 8.327 -0.649 17699 384 1 11 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.419 -0.403 17699 385 1 11 . 1 1 19 19 LEU H H 550 7.737 7.737 7.831 -0.094 17699 386 1 12 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.209 -0.052 17699 387 1 12 . 1 1 2 2 VAL H H 533 8.690 8.690 8.424 0.266 17699 388 1 12 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.339 0.007 17699 389 1 12 . 1 1 3 3 ARG H H 534 8.630 8.630 8.629 0.001 17699 390 1 12 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.908 0.162 17699 391 1 12 . 1 1 4 4 VAL H H 535 8.244 8.244 8.063 0.181 17699 392 1 12 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.653 -0.389 17699 393 1 12 . 1 1 5 5 ALA H H 536 8.435 8.435 7.554 0.881 17699 394 1 12 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.386 -0.039 17699 395 1 12 . 1 1 6 6 ARG H H 537 8.264 8.264 8.360 -0.096 17699 396 1 12 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.176 0.173 17699 397 1 12 . 1 1 7 7 LYS H H 538 8.377 8.377 7.707 0.670 17699 398 1 12 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.948 0.240 17699 399 1 12 . 1 1 8 8 LEU H H 539 8.136 8.136 9.017 -0.881 17699 400 1 12 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.698 -0.265 17699 401 1 12 . 1 1 9 9 ASP H H 540 8.037 8.037 8.397 -0.360 17699 402 1 12 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.638 -0.472 17699 403 1 12 . 1 1 10 10 ARG H H 541 8.127 8.127 7.860 0.267 17699 404 1 12 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.566 -0.034 17699 405 1 12 . 1 1 11 11 TYR H H 542 8.032 8.032 8.257 -0.225 17699 406 1 12 . 1 1 12 12 SER HA H 543 4.163 4.163 3.854 0.309 17699 407 1 12 . 1 1 12 12 SER H H 543 8.329 8.329 8.570 -0.241 17699 408 1 12 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.278 -0.146 17699 409 1 12 . 1 1 13 13 GLU H H 544 8.265 8.265 7.849 0.415 17699 410 1 12 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.686 -0.272 17699 411 1 12 . 1 1 14 14 TYR H H 545 7.910 7.910 7.395 0.515 17699 412 1 12 . 1 1 15 15 GLY H H 546 8.464 8.464 8.497 -0.033 17699 413 1 12 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.258 -0.182 17699 414 1 12 . 1 1 16 16 ALA H H 547 8.457 8.457 8.086 0.371 17699 415 1 12 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.509 -0.357 17699 416 1 12 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699 417 1 12 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.073 -0.242 17699 418 1 12 . 1 1 18 18 VAL H H 549 7.678 7.678 8.024 -0.346 17699 419 1 12 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699 420 1 12 . 1 1 19 19 LEU H H 550 7.737 7.737 8.064 -0.327 17699 421 1 13 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.026 0.131 17699 422 1 13 . 1 1 2 2 VAL H H 533 8.690 8.690 8.479 0.211 17699 423 1 13 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.343 0.003 17699 424 1 13 . 1 1 3 3 ARG H H 534 8.630 8.630 8.564 0.066 17699 425 1 13 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.042 0.028 17699 426 1 13 . 1 1 4 4 VAL H H 535 8.244 8.244 7.899 0.345 17699 427 1 13 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.629 -0.365 17699 428 1 13 . 1 1 5 5 ALA H H 536 8.435 8.435 7.555 0.880 17699 429 1 13 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.409 -0.062 17699 430 1 13 . 1 1 6 6 ARG H H 537 8.264 8.264 8.276 -0.012 17699 431 1 13 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.094 0.255 17699 432 1 13 . 1 1 7 7 LYS H H 538 8.377 8.377 7.857 0.520 17699 433 1 13 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.036 0.152 17699 434 1 13 . 1 1 8 8 LEU H H 539 8.136 8.136 9.047 -0.911 17699 435 1 13 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.645 -0.212 17699 436 1 13 . 1 1 9 9 ASP H H 540 8.037 8.037 8.319 -0.282 17699 437 1 13 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.629 -0.463 17699 438 1 13 . 1 1 10 10 ARG H H 541 8.127 8.127 7.805 0.322 17699 439 1 13 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.520 0.012 17699 440 1 13 . 1 1 11 11 TYR H H 542 8.032 8.032 8.088 -0.056 17699 441 1 13 . 1 1 12 12 SER HA H 543 4.163 4.163 3.856 0.307 17699 442 1 13 . 1 1 12 12 SER H H 543 8.329 8.329 8.551 -0.222 17699 443 1 13 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.263 -0.131 17699 444 1 13 . 1 1 13 13 GLU H H 544 8.265 8.265 7.853 0.412 17699 445 1 13 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.700 -0.286 17699 446 1 13 . 1 1 14 14 TYR H H 545 7.910 7.910 7.402 0.508 17699 447 1 13 . 1 1 15 15 GLY H H 546 8.464 8.464 8.501 -0.036 17699 448 1 13 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.266 -0.190 17699 449 1 13 . 1 1 16 16 ALA H H 547 8.457 8.457 8.153 0.304 17699 450 1 13 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.502 -0.350 17699 451 1 13 . 1 1 17 17 ALA H H 548 7.873 7.873 7.765 0.108 17699 452 1 13 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.065 -0.234 17699 453 1 13 . 1 1 18 18 VAL H H 549 7.678 7.678 8.041 -0.363 17699 454 1 13 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.436 -0.420 17699 455 1 13 . 1 1 19 19 LEU H H 550 7.737 7.737 8.028 -0.291 17699 456 1 14 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.038 0.119 17699 457 1 14 . 1 1 2 2 VAL H H 533 8.690 8.690 8.329 0.361 17699 458 1 14 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.519 -0.173 17699 459 1 14 . 1 1 3 3 ARG H H 534 8.630 8.630 8.676 -0.046 17699 460 1 14 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.935 0.135 17699 461 1 14 . 1 1 4 4 VAL H H 535 8.244 8.244 8.118 0.126 17699 462 1 14 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.651 -0.387 17699 463 1 14 . 1 1 5 5 ALA H H 536 8.435 8.435 7.713 0.722 17699 464 1 14 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.414 -0.067 17699 465 1 14 . 1 1 6 6 ARG H H 537 8.264 8.264 8.522 -0.258 17699 466 1 14 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.183 0.166 17699 467 1 14 . 1 1 7 7 LYS H H 538 8.377 8.377 7.735 0.642 17699 468 1 14 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.952 0.236 17699 469 1 14 . 1 1 8 8 LEU H H 539 8.136 8.136 9.015 -0.879 17699 470 1 14 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.738 -0.305 17699 471 1 14 . 1 1 9 9 ASP H H 540 8.037 8.037 8.343 -0.306 17699 472 1 14 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.592 -0.426 17699 473 1 14 . 1 1 10 10 ARG H H 541 8.127 8.127 7.894 0.233 17699 474 1 14 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.526 0.006 17699 475 1 14 . 1 1 11 11 TYR H H 542 8.032 8.032 8.203 -0.171 17699 476 1 14 . 1 1 12 12 SER HA H 543 4.163 4.163 3.844 0.319 17699 477 1 14 . 1 1 12 12 SER H H 543 8.329 8.329 8.549 -0.220 17699 478 1 14 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.268 -0.136 17699 479 1 14 . 1 1 13 13 GLU H H 544 8.265 8.265 7.779 0.486 17699 480 1 14 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.698 -0.284 17699 481 1 14 . 1 1 14 14 TYR H H 545 7.910 7.910 7.431 0.479 17699 482 1 14 . 1 1 15 15 GLY H H 546 8.464 8.464 8.521 -0.057 17699 483 1 14 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.282 -0.206 17699 484 1 14 . 1 1 16 16 ALA H H 547 8.457 8.457 8.128 0.329 17699 485 1 14 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.487 -0.335 17699 486 1 14 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699 487 1 14 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.127 -0.296 17699 488 1 14 . 1 1 18 18 VAL H H 549 7.678 7.678 8.091 -0.413 17699 489 1 14 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.434 -0.418 17699 490 1 14 . 1 1 19 19 LEU H H 550 7.737 7.737 7.978 -0.241 17699 491 1 15 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.258 -0.101 17699 492 1 15 . 1 1 2 2 VAL H H 533 8.690 8.690 8.588 0.102 17699 493 1 15 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.307 0.039 17699 494 1 15 . 1 1 3 3 ARG H H 534 8.630 8.630 8.518 0.112 17699 495 1 15 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.965 0.105 17699 496 1 15 . 1 1 4 4 VAL H H 535 8.244 8.244 7.782 0.462 17699 497 1 15 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.667 -0.403 17699 498 1 15 . 1 1 5 5 ALA H H 536 8.435 8.435 7.651 0.784 17699 499 1 15 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.443 -0.096 17699 500 1 15 . 1 1 6 6 ARG H H 537 8.264 8.264 8.613 -0.349 17699 501 1 15 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.130 0.219 17699 502 1 15 . 1 1 7 7 LYS H H 538 8.377 8.377 7.714 0.663 17699 503 1 15 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.042 0.146 17699 504 1 15 . 1 1 8 8 LEU H H 539 8.136 8.136 9.082 -0.946 17699 505 1 15 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.838 -0.405 17699 506 1 15 . 1 1 9 9 ASP H H 540 8.037 8.037 8.487 -0.450 17699 507 1 15 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.608 -0.442 17699 508 1 15 . 1 1 10 10 ARG H H 541 8.127 8.127 8.111 0.016 17699 509 1 15 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.457 0.075 17699 510 1 15 . 1 1 11 11 TYR H H 542 8.032 8.032 8.222 -0.190 17699 511 1 15 . 1 1 12 12 SER HA H 543 4.163 4.163 3.749 0.414 17699 512 1 15 . 1 1 12 12 SER H H 543 8.329 8.329 8.552 -0.223 17699 513 1 15 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.246 -0.114 17699 514 1 15 . 1 1 13 13 GLU H H 544 8.265 8.265 7.802 0.463 17699 515 1 15 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699 516 1 15 . 1 1 14 14 TYR H H 545 7.910 7.910 7.396 0.514 17699 517 1 15 . 1 1 15 15 GLY H H 546 8.464 8.464 8.522 -0.058 17699 518 1 15 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.291 -0.215 17699 519 1 15 . 1 1 16 16 ALA H H 547 8.457 8.457 8.175 0.282 17699 520 1 15 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699 521 1 15 . 1 1 17 17 ALA H H 548 7.873 7.873 7.753 0.120 17699 522 1 15 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.150 -0.319 17699 523 1 15 . 1 1 18 18 VAL H H 549 7.678 7.678 8.072 -0.394 17699 524 1 15 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.425 -0.409 17699 525 1 15 . 1 1 19 19 LEU H H 550 7.737 7.737 8.017 -0.280 17699 526 1 16 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.284 -0.127 17699 527 1 16 . 1 1 2 2 VAL H H 533 8.690 8.690 8.515 0.175 17699 528 1 16 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.363 -0.017 17699 529 1 16 . 1 1 3 3 ARG H H 534 8.630 8.630 8.888 -0.258 17699 530 1 16 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.936 0.134 17699 531 1 16 . 1 1 4 4 VAL H H 535 8.244 8.244 7.833 0.411 17699 532 1 16 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.484 -0.220 17699 533 1 16 . 1 1 5 5 ALA H H 536 8.435 8.435 7.499 0.936 17699 534 1 16 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.450 -0.103 17699 535 1 16 . 1 1 6 6 ARG H H 537 8.264 8.264 8.346 -0.082 17699 536 1 16 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.076 0.273 17699 537 1 16 . 1 1 7 7 LYS H H 538 8.377 8.377 7.816 0.561 17699 538 1 16 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.053 0.135 17699 539 1 16 . 1 1 8 8 LEU H H 539 8.136 8.136 9.115 -0.979 17699 540 1 16 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.894 -0.461 17699 541 1 16 . 1 1 9 9 ASP H H 540 8.037 8.037 8.467 -0.430 17699 542 1 16 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.684 -0.518 17699 543 1 16 . 1 1 10 10 ARG H H 541 8.127 8.127 8.110 0.017 17699 544 1 16 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.478 0.054 17699 545 1 16 . 1 1 11 11 TYR H H 542 8.032 8.032 8.288 -0.256 17699 546 1 16 . 1 1 12 12 SER HA H 543 4.163 4.163 3.757 0.406 17699 547 1 16 . 1 1 12 12 SER H H 543 8.329 8.329 8.552 -0.223 17699 548 1 16 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.249 -0.117 17699 549 1 16 . 1 1 13 13 GLU H H 544 8.265 8.265 7.777 0.488 17699 550 1 16 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.708 -0.294 17699 551 1 16 . 1 1 14 14 TYR H H 545 7.910 7.910 7.366 0.544 17699 552 1 16 . 1 1 15 15 GLY H H 546 8.464 8.464 8.542 -0.078 17699 553 1 16 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.316 -0.240 17699 554 1 16 . 1 1 16 16 ALA H H 547 8.457 8.457 8.133 0.324 17699 555 1 16 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.450 -0.298 17699 556 1 16 . 1 1 17 17 ALA H H 548 7.873 7.873 7.703 0.170 17699 557 1 16 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.120 -0.289 17699 558 1 16 . 1 1 18 18 VAL H H 549 7.678 7.678 8.237 -0.559 17699 559 1 16 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.433 -0.417 17699 560 1 16 . 1 1 19 19 LEU H H 550 7.737 7.737 7.889 -0.152 17699 561 1 17 . 1 1 2 2 VAL HA H 533 4.157 4.157 3.969 0.188 17699 562 1 17 . 1 1 2 2 VAL H H 533 8.690 8.690 8.614 0.076 17699 563 1 17 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.367 -0.021 17699 564 1 17 . 1 1 3 3 ARG H H 534 8.630 8.630 8.796 -0.166 17699 565 1 17 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.939 0.131 17699 566 1 17 . 1 1 4 4 VAL H H 535 8.244 8.244 7.783 0.461 17699 567 1 17 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.566 -0.302 17699 568 1 17 . 1 1 5 5 ALA H H 536 8.435 8.435 7.567 0.868 17699 569 1 17 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.455 -0.108 17699 570 1 17 . 1 1 6 6 ARG H H 537 8.264 8.264 8.588 -0.324 17699 571 1 17 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.157 0.192 17699 572 1 17 . 1 1 7 7 LYS H H 538 8.377 8.377 7.822 0.555 17699 573 1 17 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.034 0.154 17699 574 1 17 . 1 1 8 8 LEU H H 539 8.136 8.136 8.832 -0.696 17699 575 1 17 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.717 -0.284 17699 576 1 17 . 1 1 9 9 ASP H H 540 8.037 8.037 8.324 -0.287 17699 577 1 17 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.675 -0.509 17699 578 1 17 . 1 1 10 10 ARG H H 541 8.127 8.127 7.941 0.186 17699 579 1 17 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.494 0.038 17699 580 1 17 . 1 1 11 11 TYR H H 542 8.032 8.032 8.156 -0.124 17699 581 1 17 . 1 1 12 12 SER HA H 543 4.163 4.163 3.724 0.439 17699 582 1 17 . 1 1 12 12 SER H H 543 8.329 8.329 8.483 -0.154 17699 583 1 17 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.254 -0.122 17699 584 1 17 . 1 1 13 13 GLU H H 544 8.265 8.265 7.758 0.507 17699 585 1 17 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.711 -0.297 17699 586 1 17 . 1 1 14 14 TYR H H 545 7.910 7.910 7.378 0.531 17699 587 1 17 . 1 1 15 15 GLY H H 546 8.464 8.464 8.529 -0.065 17699 588 1 17 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.316 -0.240 17699 589 1 17 . 1 1 16 16 ALA H H 547 8.457 8.457 8.170 0.287 17699 590 1 17 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.491 -0.339 17699 591 1 17 . 1 1 17 17 ALA H H 548 7.873 7.873 7.790 0.083 17699 592 1 17 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.131 -0.300 17699 593 1 17 . 1 1 18 18 VAL H H 549 7.678 7.678 8.218 -0.540 17699 594 1 17 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.439 -0.423 17699 595 1 17 . 1 1 19 19 LEU H H 550 7.737 7.737 7.950 -0.213 17699 596 1 18 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.188 -0.031 17699 597 1 18 . 1 1 2 2 VAL H H 533 8.690 8.690 8.706 -0.016 17699 598 1 18 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.264 0.082 17699 599 1 18 . 1 1 3 3 ARG H H 534 8.630 8.630 8.582 0.048 17699 600 1 18 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.965 0.105 17699 601 1 18 . 1 1 4 4 VAL H H 535 8.244 8.244 7.927 0.317 17699 602 1 18 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.482 -0.218 17699 603 1 18 . 1 1 5 5 ALA H H 536 8.435 8.435 7.653 0.782 17699 604 1 18 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.384 -0.037 17699 605 1 18 . 1 1 6 6 ARG H H 537 8.264 8.264 8.575 -0.311 17699 606 1 18 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.083 0.266 17699 607 1 18 . 1 1 7 7 LYS H H 538 8.377 8.377 7.665 0.712 17699 608 1 18 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.976 0.212 17699 609 1 18 . 1 1 8 8 LEU H H 539 8.136 8.136 9.049 -0.913 17699 610 1 18 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.723 -0.290 17699 611 1 18 . 1 1 9 9 ASP H H 540 8.037 8.037 8.169 -0.132 17699 612 1 18 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.554 -0.388 17699 613 1 18 . 1 1 10 10 ARG H H 541 8.127 8.127 7.918 0.209 17699 614 1 18 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.487 0.045 17699 615 1 18 . 1 1 11 11 TYR H H 542 8.032 8.032 8.055 -0.023 17699 616 1 18 . 1 1 12 12 SER HA H 543 4.163 4.163 3.774 0.389 17699 617 1 18 . 1 1 12 12 SER H H 543 8.329 8.329 8.543 -0.214 17699 618 1 18 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.255 -0.123 17699 619 1 18 . 1 1 13 13 GLU H H 544 8.265 8.265 7.788 0.477 17699 620 1 18 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.705 -0.291 17699 621 1 18 . 1 1 14 14 TYR H H 545 7.910 7.910 7.383 0.527 17699 622 1 18 . 1 1 15 15 GLY H H 546 8.464 8.464 8.505 -0.041 17699 623 1 18 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.268 -0.192 17699 624 1 18 . 1 1 16 16 ALA H H 547 8.457 8.457 8.143 0.314 17699 625 1 18 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.502 -0.350 17699 626 1 18 . 1 1 17 17 ALA H H 548 7.873 7.873 7.780 0.093 17699 627 1 18 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.074 -0.243 17699 628 1 18 . 1 1 18 18 VAL H H 549 7.678 7.678 8.038 -0.360 17699 629 1 18 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.443 -0.427 17699 630 1 18 . 1 1 19 19 LEU H H 550 7.737 7.737 8.034 -0.297 17699 631 1 19 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.188 -0.031 17699 632 1 19 . 1 1 2 2 VAL H H 533 8.690 8.690 8.573 0.117 17699 633 1 19 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.399 -0.053 17699 634 1 19 . 1 1 3 3 ARG H H 534 8.630 8.630 8.696 -0.066 17699 635 1 19 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.982 0.088 17699 636 1 19 . 1 1 4 4 VAL H H 535 8.244 8.244 7.878 0.366 17699 637 1 19 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.572 -0.308 17699 638 1 19 . 1 1 5 5 ALA H H 536 8.435 8.435 7.570 0.865 17699 639 1 19 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.376 -0.029 17699 640 1 19 . 1 1 6 6 ARG H H 537 8.264 8.264 8.547 -0.283 17699 641 1 19 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.181 0.168 17699 642 1 19 . 1 1 7 7 LYS H H 538 8.377 8.377 7.931 0.446 17699 643 1 19 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.104 0.084 17699 644 1 19 . 1 1 8 8 LEU H H 539 8.136 8.136 9.099 -0.963 17699 645 1 19 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.742 -0.309 17699 646 1 19 . 1 1 9 9 ASP H H 540 8.037 8.037 8.094 -0.057 17699 647 1 19 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.675 -0.509 17699 648 1 19 . 1 1 10 10 ARG H H 541 8.127 8.127 7.828 0.299 17699 649 1 19 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.501 0.031 17699 650 1 19 . 1 1 11 11 TYR H H 542 8.032 8.032 7.991 0.041 17699 651 1 19 . 1 1 12 12 SER HA H 543 4.163 4.163 3.813 0.350 17699 652 1 19 . 1 1 12 12 SER H H 543 8.329 8.329 8.548 -0.219 17699 653 1 19 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.265 -0.133 17699 654 1 19 . 1 1 13 13 GLU H H 544 8.265 8.265 7.787 0.478 17699 655 1 19 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699 656 1 19 . 1 1 14 14 TYR H H 545 7.910 7.910 7.379 0.531 17699 657 1 19 . 1 1 15 15 GLY H H 546 8.464 8.464 8.515 -0.051 17699 658 1 19 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.278 -0.202 17699 659 1 19 . 1 1 16 16 ALA H H 547 8.457 8.457 8.148 0.309 17699 660 1 19 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699 661 1 19 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699 662 1 19 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.136 -0.305 17699 663 1 19 . 1 1 18 18 VAL H H 549 7.678 7.678 8.044 -0.366 17699 664 1 19 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.438 -0.422 17699 665 1 19 . 1 1 19 19 LEU H H 550 7.737 7.737 8.022 -0.285 17699 666 1 20 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.322 -0.165 17699 667 1 20 . 1 1 2 2 VAL H H 533 8.690 8.690 7.507 1.183 17699 668 1 20 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.158 0.188 17699 669 1 20 . 1 1 3 3 ARG H H 534 8.630 8.630 8.640 -0.010 17699 670 1 20 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.245 -0.175 17699 671 1 20 . 1 1 4 4 VAL H H 535 8.244 8.244 7.673 0.571 17699 672 1 20 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.641 -0.377 17699 673 1 20 . 1 1 5 5 ALA H H 536 8.435 8.435 7.599 0.836 17699 674 1 20 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.380 -0.033 17699 675 1 20 . 1 1 6 6 ARG H H 537 8.264 8.264 8.567 -0.303 17699 676 1 20 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.098 0.251 17699 677 1 20 . 1 1 7 7 LYS H H 538 8.377 8.377 7.675 0.702 17699 678 1 20 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.040 0.148 17699 679 1 20 . 1 1 8 8 LEU H H 539 8.136 8.136 9.069 -0.933 17699 680 1 20 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.836 -0.403 17699 681 1 20 . 1 1 9 9 ASP H H 540 8.037 8.037 8.395 -0.358 17699 682 1 20 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.686 -0.520 17699 683 1 20 . 1 1 10 10 ARG H H 541 8.127 8.127 7.998 0.129 17699 684 1 20 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.506 0.026 17699 685 1 20 . 1 1 11 11 TYR H H 542 8.032 8.032 8.268 -0.236 17699 686 1 20 . 1 1 12 12 SER HA H 543 4.163 4.163 3.809 0.354 17699 687 1 20 . 1 1 12 12 SER H H 543 8.329 8.329 8.609 -0.280 17699 688 1 20 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.270 -0.138 17699 689 1 20 . 1 1 13 13 GLU H H 544 8.265 8.265 7.830 0.435 17699 690 1 20 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.687 -0.273 17699 691 1 20 . 1 1 14 14 TYR H H 545 7.910 7.910 7.412 0.498 17699 692 1 20 . 1 1 15 15 GLY H H 546 8.464 8.464 8.513 -0.049 17699 693 1 20 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.280 -0.204 17699 694 1 20 . 1 1 16 16 ALA H H 547 8.457 8.457 8.056 0.401 17699 695 1 20 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.460 -0.308 17699 696 1 20 . 1 1 17 17 ALA H H 548 7.873 7.873 7.702 0.171 17699 697 1 20 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.141 -0.310 17699 698 1 20 . 1 1 18 18 VAL H H 549 7.678 7.678 8.127 -0.449 17699 699 1 20 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.417 -0.401 17699 700 1 20 . 1 1 19 19 LEU H H 550 7.737 7.737 7.979 -0.242 17699 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 0 0.000 0.000 0.000 17699 2 1 1 "Average Difference" HA 19 0.268 0.088 0.260 17699 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17699 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17699 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17699 6 1 1 "Average Difference" HN 18 0.423 -0.089 0.425 17699 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17699 8 1 2 "Average Difference" HA 19 0.261 0.123 0.237 17699 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17699 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17699 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17699 12 1 2 "Average Difference" HN 18 0.426 -0.059 0.434 17699 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17699 14 1 3 "Average Difference" HA 19 0.268 0.109 0.252 17699 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17699 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17699 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17699 18 1 3 "Average Difference" HN 18 0.397 -0.055 0.405 17699 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17699 20 1 4 "Average Difference" HA 19 0.248 0.092 0.236 17699 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17699 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17699 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17699 24 1 4 "Average Difference" HN 18 0.447 -0.107 0.447 17699 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17699 26 1 5 "Average Difference" HA 19 0.255 0.093 0.244 17699 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17699 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17699 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17699 30 1 5 "Average Difference" HN 18 0.451 -0.106 0.451 17699 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17699 32 1 6 "Average Difference" HA 19 0.247 0.097 0.234 17699 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17699 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17699 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17699 36 1 6 "Average Difference" HN 18 0.429 -0.063 0.436 17699 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17699 38 1 7 "Average Difference" HA 19 0.254 0.115 0.233 17699 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17699 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17699 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17699 42 1 7 "Average Difference" HN 18 0.475 -0.093 0.479 17699 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17699 44 1 8 "Average Difference" HA 19 0.267 0.118 0.246 17699 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17699 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17699 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17699 48 1 8 "Average Difference" HN 18 0.462 -0.080 0.469 17699 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17699 50 1 9 "Average Difference" HA 19 0.238 0.101 0.221 17699 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17699 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17699 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17699 54 1 9 "Average Difference" HN 18 0.476 -0.102 0.478 17699 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17699 56 1 10 "Average Difference" HA 19 0.274 0.126 0.250 17699 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17699 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17699 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17699 60 1 10 "Average Difference" HN 18 0.453 -0.078 0.459 17699 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17699 62 1 11 "Average Difference" HA 19 0.274 0.121 0.252 17699 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17699 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17699 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17699 66 1 11 "Average Difference" HN 18 0.455 -0.072 0.462 17699 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17699 68 1 12 "Average Difference" HA 19 0.246 0.105 0.229 17699 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17699 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17699 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17699 72 1 12 "Average Difference" HN 18 0.424 -0.064 0.431 17699 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17699 74 1 13 "Average Difference" HA 19 0.239 0.096 0.225 17699 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17699 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17699 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17699 78 1 13 "Average Difference" HN 18 0.410 -0.083 0.413 17699 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17699 80 1 14 "Average Difference" HA 19 0.251 0.108 0.232 17699 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17699 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17699 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17699 84 1 14 "Average Difference" HN 18 0.406 -0.049 0.414 17699 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17699 86 1 15 "Average Difference" HA 19 0.265 0.116 0.244 17699 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17699 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17699 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17699 90 1 15 "Average Difference" HN 18 0.435 -0.035 0.446 17699 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17699 92 1 16 "Average Difference" HA 19 0.266 0.114 0.246 17699 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17699 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17699 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17699 96 1 16 "Average Difference" HN 18 0.455 -0.034 0.467 17699 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17699 98 1 17 "Average Difference" HA 19 0.261 0.100 0.248 17699 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17699 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17699 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17699 102 1 17 "Average Difference" HN 18 0.410 -0.055 0.418 17699 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17699 104 1 18 "Average Difference" HA 19 0.238 0.082 0.229 17699 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17699 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17699 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17699 108 1 18 "Average Difference" HN 18 0.414 -0.065 0.421 17699 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17699 110 1 19 "Average Difference" HA 19 0.246 0.118 0.222 17699 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17699 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17699 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17699 114 1 19 "Average Difference" HN 18 0.414 -0.070 0.420 17699 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17699 116 1 20 "Average Difference" HA 19 0.268 0.124 0.245 17699 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17699 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17699 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17699 120 1 20 "Average Difference" HN 18 0.530 -0.115 0.532 17699 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 17699 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.234 -0.077 17699 2 1 . 1 1 2 2 VAL H H 533 8.690 8.690 8.355 0.335 17699 3 1 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.360 -0.014 17699 4 1 . 1 1 3 3 ARG H H 534 8.630 8.630 8.613 0.017 17699 5 1 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.971 0.099 17699 6 1 . 1 1 4 4 VAL H H 535 8.244 8.244 7.914 0.330 17699 7 1 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.558 -0.294 17699 8 1 . 1 1 5 5 ALA H H 536 8.435 8.435 7.564 0.871 17699 9 1 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.426 -0.079 17699 10 1 . 1 1 6 6 ARG H H 537 8.264 8.264 8.508 -0.244 17699 11 1 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.107 0.242 17699 12 1 . 1 1 7 7 LYS H H 538 8.377 8.377 7.735 0.642 17699 13 1 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.030 0.158 17699 14 1 . 1 1 8 8 LEU H H 539 8.136 8.136 9.022 -0.886 17699 15 1 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.765 -0.332 17699 16 1 . 1 1 9 9 ASP H H 540 8.037 8.037 8.296 -0.259 17699 17 1 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.628 -0.462 17699 18 1 . 1 1 10 10 ARG H H 541 8.127 8.127 7.958 0.169 17699 19 1 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.483 0.049 17699 20 1 . 1 1 11 11 TYR H H 542 8.032 8.032 8.167 -0.135 17699 21 1 . 1 1 12 12 SER HA H 543 4.163 4.163 3.777 0.386 17699 22 1 . 1 1 12 12 SER H H 543 8.329 8.329 8.539 -0.210 17699 23 1 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.256 -0.124 17699 24 1 . 1 1 13 13 GLU H H 544 8.265 8.265 7.770 0.495 17699 25 1 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.707 -0.293 17699 26 1 . 1 1 14 14 TYR H H 545 7.910 7.910 7.393 0.517 17699 27 1 . 1 1 15 15 GLY H H 546 8.464 8.464 8.521 -0.057 17699 28 1 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.294 -0.218 17699 29 1 . 1 1 16 16 ALA H H 547 8.457 8.457 8.139 0.318 17699 30 1 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.486 -0.334 17699 31 1 . 1 1 17 17 ALA H H 548 7.873 7.873 7.763 0.110 17699 32 1 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.113 -0.282 17699 33 1 . 1 1 18 18 VAL H H 549 7.678 7.678 8.135 -0.457 17699 34 1 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.434 -0.418 17699 35 1 . 1 1 19 19 LEU H H 550 7.737 7.737 7.968 -0.231 17699 stop_ save_