data_19846 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19846 _Entry.PDB_ID 2MM5 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 19846 _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 2 4.334 4.334 4.379 -0.045 19846 2 1 1 . 1 1 2 2 VAL H H 2 9.114 9.114 8.318 0.796 19846 3 1 1 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.340 0.079 19846 4 1 1 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.134 -1.475 19846 5 1 1 . 1 1 4 4 GLN H H 4 7.676 7.676 7.564 0.112 19846 6 1 1 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.338 -0.372 19846 7 1 1 . 1 1 5 5 TYR H H 5 9.487 9.487 8.409 1.078 19846 8 1 1 . 1 1 6 6 GLY H H 6 8.520 8.520 7.755 0.765 19846 9 1 1 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.111 0.806 19846 10 1 1 . 1 1 7 7 VAL H H 7 8.178 8.178 8.031 0.147 19846 11 1 1 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.715 0.239 19846 12 1 1 . 1 1 8 8 CYS H H 8 8.016 8.016 8.368 -0.352 19846 13 1 1 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.613 0.166 19846 14 1 1 . 1 1 9 9 ASP H H 9 8.509 8.509 8.104 0.405 19846 15 1 1 . 1 1 10 10 GLY H H 10 8.160 8.160 8.491 -0.331 19846 16 1 1 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.588 -0.430 19846 17 1 1 . 1 1 11 11 ILE H H 11 8.264 8.264 8.173 0.091 19846 18 1 1 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.240 -0.172 19846 19 1 1 . 1 1 12 12 ILE H H 12 8.195 8.195 7.903 0.292 19846 20 1 1 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.856 -0.049 19846 21 1 1 . 1 1 13 13 ASN H H 13 8.524 8.524 8.145 0.379 19846 22 1 1 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.378 0.100 19846 23 1 1 . 1 1 14 14 GLN H H 14 8.524 8.524 8.759 -0.235 19846 24 1 1 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.756 0.101 19846 25 1 1 . 1 1 15 15 CYS H H 15 8.733 8.733 7.927 0.806 19846 26 1 1 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.806 -0.244 19846 27 1 1 . 1 1 16 16 CYS H H 16 9.798 9.798 8.726 1.072 19846 28 1 1 . 1 1 17 17 ASP HA H 17 4.655 4.655 5.062 -0.407 19846 29 1 1 . 1 1 17 17 ASP H H 17 8.785 8.785 8.547 0.238 19846 30 1 1 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.281 0.370 19846 31 1 1 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.962 0.646 19846 32 1 1 . 1 1 19 19 TYR H H 19 8.512 8.512 7.230 1.282 19846 33 1 1 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.762 0.095 19846 34 1 1 . 1 1 20 20 TYR H H 20 8.478 8.478 8.385 0.093 19846 35 1 1 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.411 -0.006 19846 36 1 1 . 1 1 21 21 CYS H H 21 8.527 8.527 8.650 -0.123 19846 37 1 1 . 1 1 22 22 SER HA H 22 4.657 4.657 5.096 -0.439 19846 38 1 1 . 1 1 22 22 SER H H 22 8.559 8.559 8.692 -0.133 19846 39 1 1 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.635 0.447 19846 40 1 1 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.497 -0.537 19846 41 1 1 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.143 -0.406 19846 42 1 1 . 1 1 25 25 ILE H H 25 7.609 7.609 8.315 -0.706 19846 43 1 1 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.853 -0.130 19846 44 1 1 . 1 1 26 26 TYR H H 26 7.326 7.326 8.199 -0.873 19846 45 1 1 . 1 1 27 27 GLY H H 27 8.048 8.048 7.851 0.197 19846 46 1 1 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.037 0.557 19846 47 1 1 . 1 1 28 28 HIS H H 28 8.125 8.125 8.079 0.046 19846 48 1 1 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.483 0.295 19846 49 1 1 . 1 1 29 29 CYS H H 29 8.373 8.373 8.424 -0.051 19846 50 1 2 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.484 -0.150 19846 51 1 2 . 1 1 2 2 VAL H H 2 9.114 9.114 7.974 1.140 19846 52 1 2 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.303 0.116 19846 53 1 2 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.188 -1.529 19846 54 1 2 . 1 1 4 4 GLN H H 4 7.676 7.676 7.587 0.089 19846 55 1 2 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.321 -0.355 19846 56 1 2 . 1 1 5 5 TYR H H 5 9.487 9.487 8.417 1.070 19846 57 1 2 . 1 1 6 6 GLY H H 6 8.520 8.520 7.845 0.675 19846 58 1 2 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.376 0.541 19846 59 1 2 . 1 1 7 7 VAL H H 7 8.178 8.178 8.176 0.002 19846 60 1 2 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.781 0.173 19846 61 1 2 . 1 1 8 8 CYS H H 8 8.016 8.016 8.816 -0.800 19846 62 1 2 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.740 0.039 19846 63 1 2 . 1 1 9 9 ASP H H 9 8.509 8.509 8.121 0.388 19846 64 1 2 . 1 1 10 10 GLY H H 10 8.160 8.160 8.023 0.137 19846 65 1 2 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.320 -0.162 19846 66 1 2 . 1 1 11 11 ILE H H 11 8.264 8.264 8.286 -0.022 19846 67 1 2 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.060 0.008 19846 68 1 2 . 1 1 12 12 ILE H H 12 8.195 8.195 8.262 -0.067 19846 69 1 2 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.728 0.079 19846 70 1 2 . 1 1 13 13 ASN H H 13 8.524 8.524 7.765 0.759 19846 71 1 2 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.389 0.089 19846 72 1 2 . 1 1 14 14 GLN H H 14 8.524 8.524 8.504 0.020 19846 73 1 2 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.631 0.226 19846 74 1 2 . 1 1 15 15 CYS H H 15 8.733 8.733 8.106 0.627 19846 75 1 2 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.742 -0.180 19846 76 1 2 . 1 1 16 16 CYS H H 16 9.798 9.798 8.731 1.067 19846 77 1 2 . 1 1 17 17 ASP HA H 17 4.655 4.655 5.072 -0.417 19846 78 1 2 . 1 1 17 17 ASP H H 17 8.785 8.785 8.569 0.216 19846 79 1 2 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.301 0.350 19846 80 1 2 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.892 0.716 19846 81 1 2 . 1 1 19 19 TYR H H 19 8.512 8.512 7.385 1.127 19846 82 1 2 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.816 0.041 19846 83 1 2 . 1 1 20 20 TYR H H 20 8.478 8.478 8.342 0.136 19846 84 1 2 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.475 -0.070 19846 85 1 2 . 1 1 21 21 CYS H H 21 8.527 8.527 8.744 -0.217 19846 86 1 2 . 1 1 22 22 SER HA H 22 4.657 4.657 5.213 -0.556 19846 87 1 2 . 1 1 22 22 SER H H 22 8.559 8.559 8.745 -0.186 19846 88 1 2 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.700 0.382 19846 89 1 2 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.491 -0.531 19846 90 1 2 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.188 -0.451 19846 91 1 2 . 1 1 25 25 ILE H H 25 7.609 7.609 8.198 -0.589 19846 92 1 2 . 1 1 26 26 TYR HA H 26 4.723 4.723 5.120 -0.398 19846 93 1 2 . 1 1 26 26 TYR H H 26 7.326 7.326 8.235 -0.909 19846 94 1 2 . 1 1 27 27 GLY H H 27 8.048 8.048 7.900 0.148 19846 95 1 2 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.264 0.330 19846 96 1 2 . 1 1 28 28 HIS H H 28 8.125 8.125 8.102 0.023 19846 97 1 2 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.410 0.368 19846 98 1 2 . 1 1 29 29 CYS H H 29 8.373 8.373 8.334 0.039 19846 99 1 3 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.427 -0.093 19846 100 1 3 . 1 1 2 2 VAL H H 2 9.114 9.114 8.324 0.790 19846 101 1 3 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.388 0.031 19846 102 1 3 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.021 -1.362 19846 103 1 3 . 1 1 4 4 GLN H H 4 7.676 7.676 7.582 0.094 19846 104 1 3 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.386 -0.420 19846 105 1 3 . 1 1 5 5 TYR H H 5 9.487 9.487 8.301 1.186 19846 106 1 3 . 1 1 6 6 GLY H H 6 8.520 8.520 8.025 0.495 19846 107 1 3 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.216 0.701 19846 108 1 3 . 1 1 7 7 VAL H H 7 8.178 8.178 7.514 0.664 19846 109 1 3 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.714 0.240 19846 110 1 3 . 1 1 8 8 CYS H H 8 8.016 8.016 7.806 0.210 19846 111 1 3 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.604 0.175 19846 112 1 3 . 1 1 9 9 ASP H H 9 8.509 8.509 8.021 0.488 19846 113 1 3 . 1 1 10 10 GLY H H 10 8.160 8.160 8.318 -0.158 19846 114 1 3 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.382 -0.224 19846 115 1 3 . 1 1 11 11 ILE H H 11 8.264 8.264 8.347 -0.083 19846 116 1 3 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.204 -0.136 19846 117 1 3 . 1 1 12 12 ILE H H 12 8.195 8.195 7.924 0.271 19846 118 1 3 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.840 -0.033 19846 119 1 3 . 1 1 13 13 ASN H H 13 8.524 8.524 8.060 0.464 19846 120 1 3 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.342 0.136 19846 121 1 3 . 1 1 14 14 GLN H H 14 8.524 8.524 8.865 -0.341 19846 122 1 3 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.935 -0.078 19846 123 1 3 . 1 1 15 15 CYS H H 15 8.733 8.733 7.929 0.804 19846 124 1 3 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.781 -0.219 19846 125 1 3 . 1 1 16 16 CYS H H 16 9.798 9.798 8.747 1.051 19846 126 1 3 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.821 -0.166 19846 127 1 3 . 1 1 17 17 ASP H H 17 8.785 8.785 8.554 0.231 19846 128 1 3 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.152 0.499 19846 129 1 3 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.950 0.658 19846 130 1 3 . 1 1 19 19 TYR H H 19 8.512 8.512 7.149 1.363 19846 131 1 3 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.736 0.121 19846 132 1 3 . 1 1 20 20 TYR H H 20 8.478 8.478 8.512 -0.034 19846 133 1 3 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.340 0.065 19846 134 1 3 . 1 1 21 21 CYS H H 21 8.527 8.527 8.310 0.217 19846 135 1 3 . 1 1 22 22 SER HA H 22 4.657 4.657 5.246 -0.589 19846 136 1 3 . 1 1 22 22 SER H H 22 8.559 8.559 9.059 -0.500 19846 137 1 3 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.691 0.391 19846 138 1 3 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.496 -0.536 19846 139 1 3 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.168 -0.431 19846 140 1 3 . 1 1 25 25 ILE H H 25 7.609 7.609 8.287 -0.678 19846 141 1 3 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.900 -0.177 19846 142 1 3 . 1 1 26 26 TYR H H 26 7.326 7.326 8.167 -0.841 19846 143 1 3 . 1 1 27 27 GLY H H 27 8.048 8.048 7.814 0.234 19846 144 1 3 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.963 0.631 19846 145 1 3 . 1 1 28 28 HIS H H 28 8.125 8.125 8.076 0.049 19846 146 1 3 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.575 0.203 19846 147 1 3 . 1 1 29 29 CYS H H 29 8.373 8.373 8.859 -0.486 19846 148 1 4 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.467 -0.133 19846 149 1 4 . 1 1 2 2 VAL H H 2 9.114 9.114 8.265 0.849 19846 150 1 4 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.315 0.104 19846 151 1 4 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.172 -1.513 19846 152 1 4 . 1 1 4 4 GLN H H 4 7.676 7.676 7.585 0.091 19846 153 1 4 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.297 -0.331 19846 154 1 4 . 1 1 5 5 TYR H H 5 9.487 9.487 8.341 1.146 19846 155 1 4 . 1 1 6 6 GLY H H 6 8.520 8.520 7.814 0.706 19846 156 1 4 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.121 0.796 19846 157 1 4 . 1 1 7 7 VAL H H 7 8.178 8.178 8.191 -0.013 19846 158 1 4 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.750 0.204 19846 159 1 4 . 1 1 8 8 CYS H H 8 8.016 8.016 8.750 -0.734 19846 160 1 4 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.658 0.121 19846 161 1 4 . 1 1 9 9 ASP H H 9 8.509 8.509 8.011 0.498 19846 162 1 4 . 1 1 10 10 GLY H H 10 8.160 8.160 8.262 -0.102 19846 163 1 4 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.368 -0.210 19846 164 1 4 . 1 1 11 11 ILE H H 11 8.264 8.264 8.345 -0.081 19846 165 1 4 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.214 -0.146 19846 166 1 4 . 1 1 12 12 ILE H H 12 8.195 8.195 7.974 0.221 19846 167 1 4 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.840 -0.033 19846 168 1 4 . 1 1 13 13 ASN H H 13 8.524 8.524 8.196 0.328 19846 169 1 4 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.364 0.114 19846 170 1 4 . 1 1 14 14 GLN H H 14 8.524 8.524 8.660 -0.136 19846 171 1 4 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.730 0.127 19846 172 1 4 . 1 1 15 15 CYS H H 15 8.733 8.733 7.893 0.840 19846 173 1 4 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.743 -0.181 19846 174 1 4 . 1 1 16 16 CYS H H 16 9.798 9.798 8.874 0.924 19846 175 1 4 . 1 1 17 17 ASP HA H 17 4.655 4.655 5.042 -0.387 19846 176 1 4 . 1 1 17 17 ASP H H 17 8.785 8.785 8.582 0.203 19846 177 1 4 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.302 0.349 19846 178 1 4 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.914 0.694 19846 179 1 4 . 1 1 19 19 TYR H H 19 8.512 8.512 7.237 1.275 19846 180 1 4 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.829 0.028 19846 181 1 4 . 1 1 20 20 TYR H H 20 8.478 8.478 8.099 0.379 19846 182 1 4 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.440 -0.035 19846 183 1 4 . 1 1 21 21 CYS H H 21 8.527 8.527 8.890 -0.363 19846 184 1 4 . 1 1 22 22 SER HA H 22 4.657 4.657 5.208 -0.551 19846 185 1 4 . 1 1 22 22 SER H H 22 8.559 8.559 8.709 -0.150 19846 186 1 4 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.605 0.477 19846 187 1 4 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.501 -0.541 19846 188 1 4 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.157 -0.420 19846 189 1 4 . 1 1 25 25 ILE H H 25 7.609 7.609 8.303 -0.694 19846 190 1 4 . 1 1 26 26 TYR HA H 26 4.723 4.723 5.032 -0.309 19846 191 1 4 . 1 1 26 26 TYR H H 26 7.326 7.326 8.234 -0.908 19846 192 1 4 . 1 1 27 27 GLY H H 27 8.048 8.048 7.808 0.240 19846 193 1 4 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.229 0.365 19846 194 1 4 . 1 1 28 28 HIS H H 28 8.125 8.125 8.099 0.026 19846 195 1 4 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.413 0.364 19846 196 1 4 . 1 1 29 29 CYS H H 29 8.373 8.373 8.387 -0.014 19846 197 1 5 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.490 -0.156 19846 198 1 5 . 1 1 2 2 VAL H H 2 9.114 9.114 8.264 0.850 19846 199 1 5 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.347 0.072 19846 200 1 5 . 1 1 4 4 GLN HA H 4 2.659 2.659 3.974 -1.315 19846 201 1 5 . 1 1 4 4 GLN H H 4 7.676 7.676 7.600 0.076 19846 202 1 5 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.378 -0.412 19846 203 1 5 . 1 1 5 5 TYR H H 5 9.487 9.487 8.741 0.746 19846 204 1 5 . 1 1 6 6 GLY H H 6 8.520 8.520 8.157 0.363 19846 205 1 5 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.125 0.792 19846 206 1 5 . 1 1 7 7 VAL H H 7 8.178 8.178 7.254 0.924 19846 207 1 5 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.725 0.229 19846 208 1 5 . 1 1 8 8 CYS H H 8 8.016 8.016 7.841 0.175 19846 209 1 5 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.661 0.118 19846 210 1 5 . 1 1 9 9 ASP H H 9 8.509 8.509 7.939 0.570 19846 211 1 5 . 1 1 10 10 GLY H H 10 8.160 8.160 8.363 -0.203 19846 212 1 5 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.393 -0.235 19846 213 1 5 . 1 1 11 11 ILE H H 11 8.264 8.264 8.461 -0.197 19846 214 1 5 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.331 -0.263 19846 215 1 5 . 1 1 12 12 ILE H H 12 8.195 8.195 7.827 0.368 19846 216 1 5 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.887 -0.080 19846 217 1 5 . 1 1 13 13 ASN H H 13 8.524 8.524 8.275 0.249 19846 218 1 5 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.338 0.140 19846 219 1 5 . 1 1 14 14 GLN H H 14 8.524 8.524 8.723 -0.199 19846 220 1 5 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.883 -0.026 19846 221 1 5 . 1 1 15 15 CYS H H 15 8.733 8.733 8.020 0.713 19846 222 1 5 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.737 -0.175 19846 223 1 5 . 1 1 16 16 CYS H H 16 9.798 9.798 8.651 1.147 19846 224 1 5 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.831 -0.176 19846 225 1 5 . 1 1 17 17 ASP H H 17 8.785 8.785 8.583 0.202 19846 226 1 5 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.204 0.447 19846 227 1 5 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.718 0.890 19846 228 1 5 . 1 1 19 19 TYR H H 19 8.512 8.512 7.007 1.505 19846 229 1 5 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.756 0.101 19846 230 1 5 . 1 1 20 20 TYR H H 20 8.478 8.478 8.434 0.044 19846 231 1 5 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.361 0.044 19846 232 1 5 . 1 1 21 21 CYS H H 21 8.527 8.527 8.480 0.047 19846 233 1 5 . 1 1 22 22 SER HA H 22 4.657 4.657 5.119 -0.462 19846 234 1 5 . 1 1 22 22 SER H H 22 8.559 8.559 8.721 -0.162 19846 235 1 5 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.630 0.452 19846 236 1 5 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.491 -0.531 19846 237 1 5 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.149 -0.412 19846 238 1 5 . 1 1 25 25 ILE H H 25 7.609 7.609 8.310 -0.701 19846 239 1 5 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.989 -0.266 19846 240 1 5 . 1 1 26 26 TYR H H 26 7.326 7.326 8.162 -0.836 19846 241 1 5 . 1 1 27 27 GLY H H 27 8.048 8.048 7.831 0.217 19846 242 1 5 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.958 0.636 19846 243 1 5 . 1 1 28 28 HIS H H 28 8.125 8.125 8.105 0.020 19846 244 1 5 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.604 0.174 19846 245 1 5 . 1 1 29 29 CYS H H 29 8.373 8.373 8.847 -0.474 19846 246 1 6 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.436 -0.102 19846 247 1 6 . 1 1 2 2 VAL H H 2 9.114 9.114 8.213 0.901 19846 248 1 6 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.296 0.123 19846 249 1 6 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.056 -1.397 19846 250 1 6 . 1 1 4 4 GLN H H 4 7.676 7.676 7.467 0.209 19846 251 1 6 . 1 1 5 5 TYR HA H 5 3.966 3.966 3.470 0.496 19846 252 1 6 . 1 1 5 5 TYR H H 5 9.487 9.487 8.355 1.132 19846 253 1 6 . 1 1 6 6 GLY H H 6 8.520 8.520 7.989 0.531 19846 254 1 6 . 1 1 7 7 VAL HA H 7 3.917 3.917 4.122 -0.205 19846 255 1 6 . 1 1 7 7 VAL H H 7 8.178 8.178 7.024 1.154 19846 256 1 6 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.919 0.035 19846 257 1 6 . 1 1 8 8 CYS H H 8 8.016 8.016 8.260 -0.244 19846 258 1 6 . 1 1 9 9 ASP HA H 9 4.779 4.779 5.265 -0.486 19846 259 1 6 . 1 1 9 9 ASP H H 9 8.509 8.509 8.230 0.279 19846 260 1 6 . 1 1 10 10 GLY H H 10 8.160 8.160 8.439 -0.279 19846 261 1 6 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.462 -0.304 19846 262 1 6 . 1 1 11 11 ILE H H 11 8.264 8.264 8.318 -0.054 19846 263 1 6 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.245 -0.177 19846 264 1 6 . 1 1 12 12 ILE H H 12 8.195 8.195 8.351 -0.156 19846 265 1 6 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.879 -0.072 19846 266 1 6 . 1 1 13 13 ASN H H 13 8.524 8.524 7.762 0.762 19846 267 1 6 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.384 0.094 19846 268 1 6 . 1 1 14 14 GLN H H 14 8.524 8.524 8.832 -0.308 19846 269 1 6 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.762 0.095 19846 270 1 6 . 1 1 15 15 CYS H H 15 8.733 8.733 7.720 1.013 19846 271 1 6 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.784 -0.222 19846 272 1 6 . 1 1 16 16 CYS H H 16 9.798 9.798 8.852 0.946 19846 273 1 6 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.898 -0.243 19846 274 1 6 . 1 1 17 17 ASP H H 17 8.785 8.785 8.761 0.024 19846 275 1 6 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.127 0.524 19846 276 1 6 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.874 0.734 19846 277 1 6 . 1 1 19 19 TYR H H 19 8.512 8.512 7.203 1.309 19846 278 1 6 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.948 -0.091 19846 279 1 6 . 1 1 20 20 TYR H H 20 8.478 8.478 8.621 -0.143 19846 280 1 6 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.397 0.008 19846 281 1 6 . 1 1 21 21 CYS H H 21 8.527 8.527 8.370 0.157 19846 282 1 6 . 1 1 22 22 SER HA H 22 4.657 4.657 5.227 -0.570 19846 283 1 6 . 1 1 22 22 SER H H 22 8.559 8.559 9.026 -0.467 19846 284 1 6 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.675 0.407 19846 285 1 6 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.439 -0.479 19846 286 1 6 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.024 -0.287 19846 287 1 6 . 1 1 25 25 ILE H H 25 7.609 7.609 8.124 -0.515 19846 288 1 6 . 1 1 26 26 TYR HA H 26 4.723 4.723 5.147 -0.424 19846 289 1 6 . 1 1 26 26 TYR H H 26 7.326 7.326 7.855 -0.529 19846 290 1 6 . 1 1 27 27 GLY H H 27 8.048 8.048 7.904 0.144 19846 291 1 6 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.016 0.578 19846 292 1 6 . 1 1 28 28 HIS H H 28 8.125 8.125 8.072 0.053 19846 293 1 6 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.650 0.128 19846 294 1 6 . 1 1 29 29 CYS H H 29 8.373 8.373 8.758 -0.385 19846 295 1 7 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.407 -0.072 19846 296 1 7 . 1 1 2 2 VAL H H 2 9.114 9.114 8.353 0.761 19846 297 1 7 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.381 0.038 19846 298 1 7 . 1 1 4 4 GLN HA H 4 2.659 2.659 3.960 -1.301 19846 299 1 7 . 1 1 4 4 GLN H H 4 7.676 7.676 7.621 0.055 19846 300 1 7 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.332 -0.366 19846 301 1 7 . 1 1 5 5 TYR H H 5 9.487 9.487 8.750 0.737 19846 302 1 7 . 1 1 6 6 GLY H H 6 8.520 8.520 8.167 0.353 19846 303 1 7 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.162 0.755 19846 304 1 7 . 1 1 7 7 VAL H H 7 8.178 8.178 7.456 0.722 19846 305 1 7 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.669 0.285 19846 306 1 7 . 1 1 8 8 CYS H H 8 8.016 8.016 7.744 0.272 19846 307 1 7 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.663 0.116 19846 308 1 7 . 1 1 9 9 ASP H H 9 8.509 8.509 8.089 0.420 19846 309 1 7 . 1 1 10 10 GLY H H 10 8.160 8.160 8.338 -0.178 19846 310 1 7 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.379 -0.221 19846 311 1 7 . 1 1 11 11 ILE H H 11 8.264 8.264 8.340 -0.076 19846 312 1 7 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.221 -0.153 19846 313 1 7 . 1 1 12 12 ILE H H 12 8.195 8.195 7.971 0.224 19846 314 1 7 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.828 -0.021 19846 315 1 7 . 1 1 13 13 ASN H H 13 8.524 8.524 8.131 0.393 19846 316 1 7 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.425 0.053 19846 317 1 7 . 1 1 14 14 GLN H H 14 8.524 8.524 8.759 -0.235 19846 318 1 7 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.851 0.006 19846 319 1 7 . 1 1 15 15 CYS H H 15 8.733 8.733 7.762 0.971 19846 320 1 7 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.748 -0.186 19846 321 1 7 . 1 1 16 16 CYS H H 16 9.798 9.798 8.761 1.037 19846 322 1 7 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.811 -0.156 19846 323 1 7 . 1 1 17 17 ASP H H 17 8.785 8.785 8.542 0.243 19846 324 1 7 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.122 0.529 19846 325 1 7 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.916 0.692 19846 326 1 7 . 1 1 19 19 TYR H H 19 8.512 8.512 7.015 1.497 19846 327 1 7 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.772 0.085 19846 328 1 7 . 1 1 20 20 TYR H H 20 8.478 8.478 8.443 0.035 19846 329 1 7 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.354 0.051 19846 330 1 7 . 1 1 21 21 CYS H H 21 8.527 8.527 8.304 0.223 19846 331 1 7 . 1 1 22 22 SER HA H 22 4.657 4.657 5.105 -0.448 19846 332 1 7 . 1 1 22 22 SER H H 22 8.559 8.559 8.795 -0.236 19846 333 1 7 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.632 0.450 19846 334 1 7 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.492 -0.532 19846 335 1 7 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.155 -0.418 19846 336 1 7 . 1 1 25 25 ILE H H 25 7.609 7.609 8.287 -0.678 19846 337 1 7 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.896 -0.173 19846 338 1 7 . 1 1 26 26 TYR H H 26 7.326 7.326 8.172 -0.846 19846 339 1 7 . 1 1 27 27 GLY H H 27 8.048 8.048 7.821 0.227 19846 340 1 7 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.964 0.630 19846 341 1 7 . 1 1 28 28 HIS H H 28 8.125 8.125 8.091 0.034 19846 342 1 7 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.619 0.159 19846 343 1 7 . 1 1 29 29 CYS H H 29 8.373 8.373 8.844 -0.471 19846 344 1 8 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.532 -0.198 19846 345 1 8 . 1 1 2 2 VAL H H 2 9.114 9.114 8.085 1.029 19846 346 1 8 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.375 0.044 19846 347 1 8 . 1 1 4 4 GLN HA H 4 2.659 2.659 3.960 -1.301 19846 348 1 8 . 1 1 4 4 GLN H H 4 7.676 7.676 7.623 0.053 19846 349 1 8 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.335 -0.369 19846 350 1 8 . 1 1 5 5 TYR H H 5 9.487 9.487 8.751 0.736 19846 351 1 8 . 1 1 6 6 GLY H H 6 8.520 8.520 8.155 0.365 19846 352 1 8 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.152 0.765 19846 353 1 8 . 1 1 7 7 VAL H H 7 8.178 8.178 7.414 0.764 19846 354 1 8 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.725 0.229 19846 355 1 8 . 1 1 8 8 CYS H H 8 8.016 8.016 7.838 0.178 19846 356 1 8 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.675 0.104 19846 357 1 8 . 1 1 9 9 ASP H H 9 8.509 8.509 7.948 0.561 19846 358 1 8 . 1 1 10 10 GLY H H 10 8.160 8.160 8.288 -0.128 19846 359 1 8 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.416 -0.258 19846 360 1 8 . 1 1 11 11 ILE H H 11 8.264 8.264 8.386 -0.122 19846 361 1 8 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.302 -0.234 19846 362 1 8 . 1 1 12 12 ILE H H 12 8.195 8.195 8.018 0.177 19846 363 1 8 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.903 -0.096 19846 364 1 8 . 1 1 13 13 ASN H H 13 8.524 8.524 8.231 0.293 19846 365 1 8 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.288 0.190 19846 366 1 8 . 1 1 14 14 GLN H H 14 8.524 8.524 8.462 0.062 19846 367 1 8 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.553 0.304 19846 368 1 8 . 1 1 15 15 CYS H H 15 8.733 8.733 8.290 0.443 19846 369 1 8 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.649 -0.087 19846 370 1 8 . 1 1 16 16 CYS H H 16 9.798 9.798 8.548 1.250 19846 371 1 8 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.843 -0.188 19846 372 1 8 . 1 1 17 17 ASP H H 17 8.785 8.785 8.595 0.190 19846 373 1 8 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.224 0.427 19846 374 1 8 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.746 0.862 19846 375 1 8 . 1 1 19 19 TYR H H 19 8.512 8.512 7.092 1.420 19846 376 1 8 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.726 0.131 19846 377 1 8 . 1 1 20 20 TYR H H 20 8.478 8.478 8.470 0.008 19846 378 1 8 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.355 0.050 19846 379 1 8 . 1 1 21 21 CYS H H 21 8.527 8.527 8.403 0.124 19846 380 1 8 . 1 1 22 22 SER HA H 22 4.657 4.657 5.118 -0.461 19846 381 1 8 . 1 1 22 22 SER H H 22 8.559 8.559 8.759 -0.200 19846 382 1 8 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.630 0.452 19846 383 1 8 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.491 -0.531 19846 384 1 8 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.144 -0.407 19846 385 1 8 . 1 1 25 25 ILE H H 25 7.609 7.609 8.297 -0.688 19846 386 1 8 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.989 -0.266 19846 387 1 8 . 1 1 26 26 TYR H H 26 7.326 7.326 8.154 -0.828 19846 388 1 8 . 1 1 27 27 GLY H H 27 8.048 8.048 7.823 0.225 19846 389 1 8 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.963 0.631 19846 390 1 8 . 1 1 28 28 HIS H H 28 8.125 8.125 8.091 0.034 19846 391 1 8 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.564 0.214 19846 392 1 8 . 1 1 29 29 CYS H H 29 8.373 8.373 8.858 -0.485 19846 393 1 9 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.505 -0.171 19846 394 1 9 . 1 1 2 2 VAL H H 2 9.114 9.114 8.175 0.939 19846 395 1 9 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.339 0.080 19846 396 1 9 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.118 -1.459 19846 397 1 9 . 1 1 4 4 GLN H H 4 7.676 7.676 7.589 0.087 19846 398 1 9 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.370 -0.404 19846 399 1 9 . 1 1 5 5 TYR H H 5 9.487 9.487 8.721 0.766 19846 400 1 9 . 1 1 6 6 GLY H H 6 8.520 8.520 8.159 0.361 19846 401 1 9 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.142 0.775 19846 402 1 9 . 1 1 7 7 VAL H H 7 8.178 8.178 7.307 0.871 19846 403 1 9 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.746 0.208 19846 404 1 9 . 1 1 8 8 CYS H H 8 8.016 8.016 7.908 0.108 19846 405 1 9 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.680 0.099 19846 406 1 9 . 1 1 9 9 ASP H H 9 8.509 8.509 7.945 0.564 19846 407 1 9 . 1 1 10 10 GLY H H 10 8.160 8.160 8.261 -0.101 19846 408 1 9 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.520 -0.362 19846 409 1 9 . 1 1 11 11 ILE H H 11 8.264 8.264 8.319 -0.055 19846 410 1 9 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.132 -0.064 19846 411 1 9 . 1 1 12 12 ILE H H 12 8.195 8.195 8.264 -0.069 19846 412 1 9 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.753 0.054 19846 413 1 9 . 1 1 13 13 ASN H H 13 8.524 8.524 7.847 0.677 19846 414 1 9 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.392 0.086 19846 415 1 9 . 1 1 14 14 GLN H H 14 8.524 8.524 8.604 -0.080 19846 416 1 9 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.756 0.101 19846 417 1 9 . 1 1 15 15 CYS H H 15 8.733 8.733 8.125 0.608 19846 418 1 9 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.649 -0.087 19846 419 1 9 . 1 1 16 16 CYS H H 16 9.798 9.798 8.652 1.146 19846 420 1 9 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.811 -0.156 19846 421 1 9 . 1 1 17 17 ASP H H 17 8.785 8.785 8.546 0.239 19846 422 1 9 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.112 0.539 19846 423 1 9 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.898 0.710 19846 424 1 9 . 1 1 19 19 TYR H H 19 8.512 8.512 6.955 1.557 19846 425 1 9 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.765 0.092 19846 426 1 9 . 1 1 20 20 TYR H H 20 8.478 8.478 8.441 0.037 19846 427 1 9 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.348 0.057 19846 428 1 9 . 1 1 21 21 CYS H H 21 8.527 8.527 8.527 0.000 19846 429 1 9 . 1 1 22 22 SER HA H 22 4.657 4.657 5.109 -0.452 19846 430 1 9 . 1 1 22 22 SER H H 22 8.559 8.559 8.721 -0.162 19846 431 1 9 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.629 0.453 19846 432 1 9 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.490 -0.530 19846 433 1 9 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.219 -0.482 19846 434 1 9 . 1 1 25 25 ILE H H 25 7.609 7.609 8.241 -0.632 19846 435 1 9 . 1 1 26 26 TYR HA H 26 4.723 4.723 5.003 -0.280 19846 436 1 9 . 1 1 26 26 TYR H H 26 7.326 7.326 8.169 -0.843 19846 437 1 9 . 1 1 27 27 GLY H H 27 8.048 8.048 7.820 0.228 19846 438 1 9 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.954 0.640 19846 439 1 9 . 1 1 28 28 HIS H H 28 8.125 8.125 8.096 0.029 19846 440 1 9 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.598 0.180 19846 441 1 9 . 1 1 29 29 CYS H H 29 8.373 8.373 8.848 -0.475 19846 442 1 10 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.321 0.013 19846 443 1 10 . 1 1 2 2 VAL H H 2 9.114 9.114 8.132 0.982 19846 444 1 10 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.384 0.035 19846 445 1 10 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.005 -1.346 19846 446 1 10 . 1 1 4 4 GLN H H 4 7.676 7.676 7.526 0.150 19846 447 1 10 . 1 1 5 5 TYR HA H 5 3.966 3.966 3.883 0.083 19846 448 1 10 . 1 1 5 5 TYR H H 5 9.487 9.487 8.297 1.190 19846 449 1 10 . 1 1 6 6 GLY H H 6 8.520 8.520 7.748 0.772 19846 450 1 10 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.885 0.032 19846 451 1 10 . 1 1 7 7 VAL H H 7 8.178 8.178 8.448 -0.270 19846 452 1 10 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.818 0.136 19846 453 1 10 . 1 1 8 8 CYS H H 8 8.016 8.016 8.602 -0.586 19846 454 1 10 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.765 0.014 19846 455 1 10 . 1 1 9 9 ASP H H 9 8.509 8.509 8.089 0.420 19846 456 1 10 . 1 1 10 10 GLY H H 10 8.160 8.160 8.021 0.139 19846 457 1 10 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.345 -0.187 19846 458 1 10 . 1 1 11 11 ILE H H 11 8.264 8.264 8.333 -0.069 19846 459 1 10 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.240 -0.172 19846 460 1 10 . 1 1 12 12 ILE H H 12 8.195 8.195 7.968 0.227 19846 461 1 10 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.888 -0.080 19846 462 1 10 . 1 1 13 13 ASN H H 13 8.524 8.524 8.091 0.433 19846 463 1 10 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.367 0.111 19846 464 1 10 . 1 1 14 14 GLN H H 14 8.524 8.524 8.854 -0.330 19846 465 1 10 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.849 0.008 19846 466 1 10 . 1 1 15 15 CYS H H 15 8.733 8.733 7.825 0.908 19846 467 1 10 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.761 -0.199 19846 468 1 10 . 1 1 16 16 CYS H H 16 9.798 9.798 8.655 1.143 19846 469 1 10 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.871 -0.216 19846 470 1 10 . 1 1 17 17 ASP H H 17 8.785 8.785 8.607 0.178 19846 471 1 10 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.186 0.465 19846 472 1 10 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.922 0.686 19846 473 1 10 . 1 1 19 19 TYR H H 19 8.512 8.512 7.137 1.375 19846 474 1 10 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.758 0.099 19846 475 1 10 . 1 1 20 20 TYR H H 20 8.478 8.478 7.893 0.585 19846 476 1 10 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.342 0.063 19846 477 1 10 . 1 1 21 21 CYS H H 21 8.527 8.527 8.349 0.178 19846 478 1 10 . 1 1 22 22 SER HA H 22 4.657 4.657 4.891 -0.234 19846 479 1 10 . 1 1 22 22 SER H H 22 8.559 8.559 9.023 -0.464 19846 480 1 10 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.711 0.371 19846 481 1 10 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.398 -0.438 19846 482 1 10 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.361 -0.624 19846 483 1 10 . 1 1 25 25 ILE H H 25 7.609 7.609 7.964 -0.355 19846 484 1 10 . 1 1 26 26 TYR HA H 26 4.723 4.723 5.092 -0.369 19846 485 1 10 . 1 1 26 26 TYR H H 26 7.326 7.326 8.260 -0.934 19846 486 1 10 . 1 1 27 27 GLY H H 27 8.048 8.048 7.704 0.344 19846 487 1 10 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.047 0.547 19846 488 1 10 . 1 1 28 28 HIS H H 28 8.125 8.125 7.960 0.165 19846 489 1 10 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.574 0.204 19846 490 1 10 . 1 1 29 29 CYS H H 29 8.373 8.373 8.509 -0.136 19846 491 1 11 . 1 1 2 2 VAL HA H 2 4.334 4.334 4.436 -0.102 19846 492 1 11 . 1 1 2 2 VAL H H 2 9.114 9.114 8.155 0.959 19846 493 1 11 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.352 0.067 19846 494 1 11 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.139 -1.480 19846 495 1 11 . 1 1 4 4 GLN H H 4 7.676 7.676 7.507 0.169 19846 496 1 11 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.291 -0.325 19846 497 1 11 . 1 1 5 5 TYR H H 5 9.487 9.487 8.481 1.006 19846 498 1 11 . 1 1 6 6 GLY H H 6 8.520 8.520 8.127 0.393 19846 499 1 11 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.472 0.445 19846 500 1 11 . 1 1 7 7 VAL H H 7 8.178 8.178 7.624 0.554 19846 501 1 11 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.763 0.192 19846 502 1 11 . 1 1 8 8 CYS H H 8 8.016 8.016 7.841 0.175 19846 503 1 11 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.756 0.023 19846 504 1 11 . 1 1 9 9 ASP H H 9 8.509 8.509 8.024 0.485 19846 505 1 11 . 1 1 10 10 GLY H H 10 8.160 8.160 8.459 -0.299 19846 506 1 11 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.305 -0.147 19846 507 1 11 . 1 1 11 11 ILE H H 11 8.264 8.264 8.340 -0.076 19846 508 1 11 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.265 -0.197 19846 509 1 11 . 1 1 12 12 ILE H H 12 8.195 8.195 7.957 0.238 19846 510 1 11 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.879 -0.072 19846 511 1 11 . 1 1 13 13 ASN H H 13 8.524 8.524 8.087 0.437 19846 512 1 11 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.350 0.128 19846 513 1 11 . 1 1 14 14 GLN H H 14 8.524 8.524 8.857 -0.333 19846 514 1 11 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.753 0.104 19846 515 1 11 . 1 1 15 15 CYS H H 15 8.733 8.733 7.771 0.962 19846 516 1 11 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.777 -0.215 19846 517 1 11 . 1 1 16 16 CYS H H 16 9.798 9.798 8.832 0.966 19846 518 1 11 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.982 -0.327 19846 519 1 11 . 1 1 17 17 ASP H H 17 8.785 8.785 8.710 0.075 19846 520 1 11 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.142 0.509 19846 521 1 11 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.947 0.661 19846 522 1 11 . 1 1 19 19 TYR H H 19 8.512 8.512 7.099 1.413 19846 523 1 11 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.816 0.041 19846 524 1 11 . 1 1 20 20 TYR H H 20 8.478 8.478 8.581 -0.103 19846 525 1 11 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.303 0.102 19846 526 1 11 . 1 1 21 21 CYS H H 21 8.527 8.527 8.502 0.025 19846 527 1 11 . 1 1 22 22 SER HA H 22 4.657 4.657 5.084 -0.427 19846 528 1 11 . 1 1 22 22 SER H H 22 8.559 8.559 8.933 -0.374 19846 529 1 11 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.636 0.446 19846 530 1 11 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.496 -0.536 19846 531 1 11 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.201 -0.464 19846 532 1 11 . 1 1 25 25 ILE H H 25 7.609 7.609 8.308 -0.699 19846 533 1 11 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.942 -0.219 19846 534 1 11 . 1 1 26 26 TYR H H 26 7.326 7.326 8.325 -0.999 19846 535 1 11 . 1 1 27 27 GLY H H 27 8.048 8.048 7.820 0.228 19846 536 1 11 . 1 1 28 28 HIS HA H 28 5.594 5.594 4.854 0.740 19846 537 1 11 . 1 1 28 28 HIS H H 28 8.125 8.125 8.100 0.025 19846 538 1 11 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.768 0.010 19846 539 1 11 . 1 1 29 29 CYS H H 29 8.373 8.373 8.811 -0.438 19846 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 19846 2 1 1 "Average Difference" HA 31 0.443 0.068 0.445 19846 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19846 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19846 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19846 6 1 1 "Average Difference" HN 24 0.576 -0.208 0.548 19846 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19846 8 1 2 "Average Difference" HA 31 0.438 0.097 0.434 19846 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19846 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19846 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19846 12 1 2 "Average Difference" HN 24 0.593 -0.203 0.569 19846 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19846 14 1 3 "Average Difference" HA 31 0.419 0.044 0.423 19846 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19846 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19846 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19846 18 1 3 "Average Difference" HN 24 0.608 -0.229 0.575 19846 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19846 20 1 4 "Average Difference" HA 31 0.443 0.075 0.444 19846 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19846 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19846 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19846 24 1 4 "Average Difference" HN 24 0.592 -0.189 0.573 19846 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19846 26 1 5 "Average Difference" HA 31 0.436 0.055 0.439 19846 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19846 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19846 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19846 30 1 5 "Average Difference" HN 24 0.597 -0.227 0.565 19846 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19846 32 1 6 "Average Difference" HA 31 0.418 0.087 0.416 19846 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19846 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19846 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19846 36 1 6 "Average Difference" HN 24 0.622 -0.231 0.590 19846 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19846 38 1 7 "Average Difference" HA 31 0.414 0.044 0.419 19846 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19846 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19846 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19846 42 1 7 "Average Difference" HN 24 0.584 -0.228 0.549 19846 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19846 44 1 8 "Average Difference" HA 31 0.432 0.041 0.438 19846 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19846 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19846 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19846 48 1 8 "Average Difference" HN 24 0.582 -0.227 0.547 19846 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19846 50 1 9 "Average Difference" HA 31 0.444 0.055 0.447 19846 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19846 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19846 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19846 54 1 9 "Average Difference" HN 24 0.604 -0.242 0.565 19846 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19846 56 1 10 "Average Difference" HA 31 0.379 0.061 0.380 19846 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19846 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19846 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19846 60 1 10 "Average Difference" HN 24 0.638 -0.252 0.599 19846 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19846 62 1 11 "Average Difference" HA 31 0.418 0.054 0.422 19846 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19846 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19846 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19846 66 1 11 "Average Difference" HN 24 0.608 -0.200 0.587 19846 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 19846 _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 2 4.334 4.334 4.444 -0.110 19846 2 1 . 1 1 2 2 VAL H H 2 9.114 9.114 8.205 0.909 19846 3 1 . 1 1 3 3 PRO HA H 3 4.419 4.419 4.347 0.072 19846 4 1 . 1 1 4 4 GLN HA H 4 2.659 2.659 4.066 -1.407 19846 5 1 . 1 1 4 4 GLN H H 4 7.676 7.676 7.568 0.108 19846 6 1 . 1 1 5 5 TYR HA H 5 3.966 3.966 4.218 -0.252 19846 7 1 . 1 1 5 5 TYR H H 5 9.487 9.487 8.506 0.981 19846 8 1 . 1 1 6 6 GLY H H 6 8.520 8.520 7.995 0.525 19846 9 1 . 1 1 7 7 VAL HA H 7 3.917 3.917 3.353 0.564 19846 10 1 . 1 1 7 7 VAL H H 7 8.178 8.178 7.676 0.502 19846 11 1 . 1 1 8 8 CYS HA H 8 4.954 4.954 4.757 0.197 19846 12 1 . 1 1 8 8 CYS H H 8 8.016 8.016 8.161 -0.145 19846 13 1 . 1 1 9 9 ASP HA H 9 4.779 4.779 4.735 0.044 19846 14 1 . 1 1 9 9 ASP H H 9 8.509 8.509 8.047 0.462 19846 15 1 . 1 1 10 10 GLY H H 10 8.160 8.160 8.297 -0.137 19846 16 1 . 1 1 11 11 ILE HA H 11 4.158 4.158 4.407 -0.249 19846 17 1 . 1 1 11 11 ILE H H 11 8.264 8.264 8.332 -0.068 19846 18 1 . 1 1 12 12 ILE HA H 12 4.068 4.068 4.223 -0.155 19846 19 1 . 1 1 12 12 ILE H H 12 8.195 8.195 8.038 0.157 19846 20 1 . 1 1 13 13 ASN HA H 13 4.807 4.807 4.844 -0.037 19846 21 1 . 1 1 13 13 ASN H H 13 8.524 8.524 8.054 0.470 19846 22 1 . 1 1 14 14 GLN HA H 14 4.478 4.478 4.365 0.113 19846 23 1 . 1 1 14 14 GLN H H 14 8.524 8.524 8.716 -0.192 19846 24 1 . 1 1 15 15 CYS HA H 15 4.857 4.857 4.769 0.088 19846 25 1 . 1 1 15 15 CYS H H 15 8.733 8.733 7.943 0.790 19846 26 1 . 1 1 16 16 CYS HA H 16 4.562 4.562 4.743 -0.181 19846 27 1 . 1 1 16 16 CYS H H 16 9.798 9.798 8.730 1.068 19846 28 1 . 1 1 17 17 ASP HA H 17 4.655 4.655 4.913 -0.258 19846 29 1 . 1 1 17 17 ASP H H 17 8.785 8.785 8.600 0.185 19846 30 1 . 1 1 18 18 PRO HA H 18 4.651 4.651 4.196 0.455 19846 31 1 . 1 1 19 19 TYR HA H 19 4.608 4.608 3.885 0.723 19846 32 1 . 1 1 19 19 TYR H H 19 8.512 8.512 7.137 1.375 19846 33 1 . 1 1 20 20 TYR HA H 20 4.857 4.857 4.789 0.068 19846 34 1 . 1 1 20 20 TYR H H 20 8.478 8.478 8.384 0.094 19846 35 1 . 1 1 21 21 CYS HA H 21 4.405 4.405 4.375 0.030 19846 36 1 . 1 1 21 21 CYS H H 21 8.527 8.527 8.503 0.024 19846 37 1 . 1 1 22 22 SER HA H 22 4.657 4.657 5.129 -0.472 19846 38 1 . 1 1 22 22 SER H H 22 8.559 8.559 8.835 -0.276 19846 39 1 . 1 1 23 23 PRO HA H 23 5.082 5.082 4.652 0.430 19846 40 1 . 1 1 24 24 PRO HA H 24 3.960 3.960 4.480 -0.520 19846 41 1 . 1 1 25 25 ILE HA H 25 3.737 3.737 4.174 -0.437 19846 42 1 . 1 1 25 25 ILE H H 25 7.609 7.609 8.239 -0.630 19846 43 1 . 1 1 26 26 TYR HA H 26 4.723 4.723 4.997 -0.274 19846 44 1 . 1 1 26 26 TYR H H 26 7.326 7.326 8.176 -0.850 19846 45 1 . 1 1 27 27 GLY H H 27 8.048 8.048 7.827 0.221 19846 46 1 . 1 1 28 28 HIS HA H 28 5.594 5.594 5.023 0.571 19846 47 1 . 1 1 28 28 HIS H H 28 8.125 8.125 8.079 0.046 19846 48 1 . 1 1 29 29 CYS HA H 29 4.778 4.778 4.569 0.209 19846 49 1 . 1 1 29 29 CYS H H 29 8.373 8.373 8.680 -0.307 19846 stop_ save_