data_19180 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19180 _Entry.PDB_ID 2M7C 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 19180 _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 PRO HA H 2 4.006 4.006 4.103 -0.097 19180 2 1 1 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.600 -0.338 19180 3 1 1 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.490 -0.154 19180 4 1 1 . 1 1 5 5 SER HA H 5 4.189 4.189 4.052 0.137 19180 5 1 1 . 1 1 5 5 SER H H 5 8.229 8.229 8.582 -0.353 19180 6 1 1 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.315 0.159 19180 7 1 1 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180 8 1 1 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.015 -0.084 19180 9 1 1 . 1 1 10 10 TYR H H 10 8.545 8.545 8.190 0.355 19180 10 1 1 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.073 0.052 19180 11 1 1 . 1 1 11 11 ALA H H 11 8.417 8.417 7.628 0.789 19180 12 1 1 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.076 -0.121 19180 13 1 1 . 1 1 12 12 GLN H H 12 8.164 8.164 7.674 0.490 19180 14 1 1 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.210 -0.090 19180 15 1 1 . 1 1 13 13 TRP H H 13 7.964 7.964 8.458 -0.494 19180 16 1 1 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.430 -0.185 19180 17 1 1 . 1 1 14 14 LEU H H 14 8.458 8.458 7.566 0.892 19180 18 1 1 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180 19 1 1 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180 20 1 1 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.598 0.029 19180 21 1 1 . 1 1 19 19 TRP H H 19 8.767 8.767 7.844 0.923 19180 22 1 1 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.282 0.216 19180 23 1 1 . 1 1 20 20 ALA H H 20 7.851 7.851 7.879 -0.028 19180 24 1 2 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.294 -0.288 19180 25 1 2 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.637 -0.375 19180 26 1 2 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.494 -0.158 19180 27 1 2 . 1 1 5 5 SER HA H 5 4.189 4.189 4.000 0.189 19180 28 1 2 . 1 1 5 5 SER H H 5 8.229 8.229 8.577 -0.348 19180 29 1 2 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.330 0.144 19180 30 1 2 . 1 1 9 9 ALA H H 9 8.272 8.272 8.386 -0.114 19180 31 1 2 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.016 -0.085 19180 32 1 2 . 1 1 10 10 TYR H H 10 8.545 8.545 8.320 0.225 19180 33 1 2 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.050 0.075 19180 34 1 2 . 1 1 11 11 ALA H H 11 8.417 8.417 7.678 0.739 19180 35 1 2 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.069 -0.114 19180 36 1 2 . 1 1 12 12 GLN H H 12 8.164 8.164 7.665 0.499 19180 37 1 2 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.180 -0.060 19180 38 1 2 . 1 1 13 13 TRP H H 13 7.964 7.964 8.449 -0.485 19180 39 1 2 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.490 -0.245 19180 40 1 2 . 1 1 14 14 LEU H H 14 8.458 8.458 7.601 0.857 19180 41 1 2 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.007 -0.016 19180 42 1 2 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180 43 1 2 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.567 0.060 19180 44 1 2 . 1 1 19 19 TRP H H 19 8.767 8.767 7.671 1.096 19180 45 1 2 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.608 -0.110 19180 46 1 2 . 1 1 20 20 ALA H H 20 7.851 7.851 7.722 0.129 19180 47 1 3 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.185 -0.179 19180 48 1 3 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.670 -0.408 19180 49 1 3 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.491 -0.155 19180 50 1 3 . 1 1 5 5 SER HA H 5 4.189 4.189 4.039 0.150 19180 51 1 3 . 1 1 5 5 SER H H 5 8.229 8.229 8.540 -0.311 19180 52 1 3 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.342 0.132 19180 53 1 3 . 1 1 9 9 ALA H H 9 8.272 8.272 8.397 -0.125 19180 54 1 3 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.019 -0.088 19180 55 1 3 . 1 1 10 10 TYR H H 10 8.545 8.545 8.302 0.243 19180 56 1 3 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.088 0.037 19180 57 1 3 . 1 1 11 11 ALA H H 11 8.417 8.417 7.724 0.693 19180 58 1 3 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.046 -0.091 19180 59 1 3 . 1 1 12 12 GLN H H 12 8.164 8.164 7.600 0.564 19180 60 1 3 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.199 -0.079 19180 61 1 3 . 1 1 13 13 TRP H H 13 7.964 7.964 8.437 -0.473 19180 62 1 3 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.466 -0.221 19180 63 1 3 . 1 1 14 14 LEU H H 14 8.458 8.458 7.582 0.876 19180 64 1 3 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.036 -0.045 19180 65 1 3 . 1 1 15 15 ALA H H 15 7.924 7.924 7.583 0.341 19180 66 1 3 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.506 0.121 19180 67 1 3 . 1 1 19 19 TRP H H 19 8.767 8.767 7.726 1.041 19180 68 1 3 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.672 -0.174 19180 69 1 3 . 1 1 20 20 ALA H H 20 7.851 7.851 7.889 -0.038 19180 70 1 4 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.318 -0.312 19180 71 1 4 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.635 -0.373 19180 72 1 4 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.418 -0.082 19180 73 1 4 . 1 1 5 5 SER HA H 5 4.189 4.189 4.111 0.078 19180 74 1 4 . 1 1 5 5 SER H H 5 8.229 8.229 8.212 0.017 19180 75 1 4 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.341 0.133 19180 76 1 4 . 1 1 9 9 ALA H H 9 8.272 8.272 8.409 -0.137 19180 77 1 4 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.012 -0.081 19180 78 1 4 . 1 1 10 10 TYR H H 10 8.545 8.545 8.206 0.339 19180 79 1 4 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.158 -0.033 19180 80 1 4 . 1 1 11 11 ALA H H 11 8.417 8.417 7.632 0.785 19180 81 1 4 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.082 -0.127 19180 82 1 4 . 1 1 12 12 GLN H H 12 8.164 8.164 7.615 0.549 19180 83 1 4 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.232 -0.112 19180 84 1 4 . 1 1 13 13 TRP H H 13 7.964 7.964 8.505 -0.541 19180 85 1 4 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.568 -0.323 19180 86 1 4 . 1 1 14 14 LEU H H 14 8.458 8.458 7.497 0.961 19180 87 1 4 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.034 -0.043 19180 88 1 4 . 1 1 15 15 ALA H H 15 7.924 7.924 7.607 0.317 19180 89 1 4 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.596 0.031 19180 90 1 4 . 1 1 19 19 TRP H H 19 8.767 8.767 7.782 0.985 19180 91 1 4 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.543 -0.045 19180 92 1 4 . 1 1 20 20 ALA H H 20 7.851 7.851 7.731 0.120 19180 93 1 5 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.416 -0.410 19180 94 1 5 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.624 -0.362 19180 95 1 5 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.431 -0.095 19180 96 1 5 . 1 1 5 5 SER HA H 5 4.189 4.189 4.114 0.075 19180 97 1 5 . 1 1 5 5 SER H H 5 8.229 8.229 8.119 0.110 19180 98 1 5 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.229 0.245 19180 99 1 5 . 1 1 9 9 ALA H H 9 8.272 8.272 8.398 -0.126 19180 100 1 5 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180 101 1 5 . 1 1 10 10 TYR H H 10 8.545 8.545 8.095 0.450 19180 102 1 5 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.119 0.006 19180 103 1 5 . 1 1 11 11 ALA H H 11 8.417 8.417 7.662 0.755 19180 104 1 5 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180 105 1 5 . 1 1 12 12 GLN H H 12 8.164 8.164 7.685 0.479 19180 106 1 5 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.180 -0.060 19180 107 1 5 . 1 1 13 13 TRP H H 13 7.964 7.964 8.408 -0.444 19180 108 1 5 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.535 -0.290 19180 109 1 5 . 1 1 14 14 LEU H H 14 8.458 8.458 7.485 0.973 19180 110 1 5 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180 111 1 5 . 1 1 15 15 ALA H H 15 7.924 7.924 7.573 0.351 19180 112 1 5 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.610 0.017 19180 113 1 5 . 1 1 19 19 TRP H H 19 8.767 8.767 7.713 1.054 19180 114 1 5 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.660 -0.162 19180 115 1 5 . 1 1 20 20 ALA H H 20 7.851 7.851 7.798 0.053 19180 116 1 6 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.543 -0.537 19180 117 1 6 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.631 -0.369 19180 118 1 6 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.446 -0.110 19180 119 1 6 . 1 1 5 5 SER HA H 5 4.189 4.189 4.126 0.063 19180 120 1 6 . 1 1 5 5 SER H H 5 8.229 8.229 8.308 -0.079 19180 121 1 6 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.331 0.143 19180 122 1 6 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180 123 1 6 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.011 -0.080 19180 124 1 6 . 1 1 10 10 TYR H H 10 8.545 8.545 8.185 0.360 19180 125 1 6 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.123 0.002 19180 126 1 6 . 1 1 11 11 ALA H H 11 8.417 8.417 7.666 0.751 19180 127 1 6 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.086 -0.131 19180 128 1 6 . 1 1 12 12 GLN H H 12 8.164 8.164 7.689 0.474 19180 129 1 6 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.176 -0.056 19180 130 1 6 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180 131 1 6 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.542 -0.297 19180 132 1 6 . 1 1 14 14 LEU H H 14 8.458 8.458 7.490 0.968 19180 133 1 6 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.040 -0.049 19180 134 1 6 . 1 1 15 15 ALA H H 15 7.924 7.924 7.597 0.327 19180 135 1 6 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.607 0.020 19180 136 1 6 . 1 1 19 19 TRP H H 19 8.767 8.767 7.676 1.091 19180 137 1 6 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.675 -0.177 19180 138 1 6 . 1 1 20 20 ALA H H 20 7.851 7.851 7.781 0.070 19180 139 1 7 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.289 -0.283 19180 140 1 7 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.482 -0.220 19180 141 1 7 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.494 -0.158 19180 142 1 7 . 1 1 5 5 SER HA H 5 4.189 4.189 4.071 0.118 19180 143 1 7 . 1 1 5 5 SER H H 5 8.229 8.229 8.263 -0.034 19180 144 1 7 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.292 0.182 19180 145 1 7 . 1 1 9 9 ALA H H 9 8.272 8.272 8.562 -0.290 19180 146 1 7 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.028 -0.097 19180 147 1 7 . 1 1 10 10 TYR H H 10 8.545 8.545 7.828 0.717 19180 148 1 7 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.103 0.022 19180 149 1 7 . 1 1 11 11 ALA H H 11 8.417 8.417 7.556 0.861 19180 150 1 7 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.054 -0.099 19180 151 1 7 . 1 1 12 12 GLN H H 12 8.164 8.164 7.600 0.564 19180 152 1 7 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.239 -0.119 19180 153 1 7 . 1 1 13 13 TRP H H 13 7.964 7.964 8.581 -0.617 19180 154 1 7 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.543 -0.298 19180 155 1 7 . 1 1 14 14 LEU H H 14 8.458 8.458 7.512 0.946 19180 156 1 7 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.043 -0.052 19180 157 1 7 . 1 1 15 15 ALA H H 15 7.924 7.924 7.592 0.332 19180 158 1 7 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.611 0.016 19180 159 1 7 . 1 1 19 19 TRP H H 19 8.767 8.767 7.852 0.915 19180 160 1 7 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.573 -0.075 19180 161 1 7 . 1 1 20 20 ALA H H 20 7.851 7.851 7.708 0.143 19180 162 1 8 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.464 -0.458 19180 163 1 8 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.689 -0.427 19180 164 1 8 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.492 -0.156 19180 165 1 8 . 1 1 5 5 SER HA H 5 4.189 4.189 4.027 0.162 19180 166 1 8 . 1 1 5 5 SER H H 5 8.229 8.229 8.544 -0.315 19180 167 1 8 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.318 0.156 19180 168 1 8 . 1 1 9 9 ALA H H 9 8.272 8.272 8.400 -0.128 19180 169 1 8 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.022 -0.091 19180 170 1 8 . 1 1 10 10 TYR H H 10 8.545 8.545 8.276 0.269 19180 171 1 8 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.069 0.056 19180 172 1 8 . 1 1 11 11 ALA H H 11 8.417 8.417 7.601 0.816 19180 173 1 8 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.061 -0.106 19180 174 1 8 . 1 1 12 12 GLN H H 12 8.164 8.164 7.590 0.574 19180 175 1 8 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.191 -0.071 19180 176 1 8 . 1 1 13 13 TRP H H 13 7.964 7.964 8.587 -0.623 19180 177 1 8 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.475 -0.230 19180 178 1 8 . 1 1 14 14 LEU H H 14 8.458 8.458 7.580 0.878 19180 179 1 8 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.031 -0.040 19180 180 1 8 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180 181 1 8 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.606 0.021 19180 182 1 8 . 1 1 19 19 TRP H H 19 8.767 8.767 7.692 1.075 19180 183 1 8 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.669 -0.171 19180 184 1 8 . 1 1 20 20 ALA H H 20 7.851 7.851 7.702 0.149 19180 185 1 9 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.244 -0.238 19180 186 1 9 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.694 -0.432 19180 187 1 9 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.436 -0.100 19180 188 1 9 . 1 1 5 5 SER HA H 5 4.189 4.189 4.054 0.135 19180 189 1 9 . 1 1 5 5 SER H H 5 8.229 8.229 8.266 -0.037 19180 190 1 9 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.313 0.161 19180 191 1 9 . 1 1 9 9 ALA H H 9 8.272 8.272 8.563 -0.291 19180 192 1 9 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.025 -0.094 19180 193 1 9 . 1 1 10 10 TYR H H 10 8.545 8.545 7.898 0.647 19180 194 1 9 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.117 0.008 19180 195 1 9 . 1 1 11 11 ALA H H 11 8.417 8.417 7.630 0.787 19180 196 1 9 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180 197 1 9 . 1 1 12 12 GLN H H 12 8.164 8.164 7.686 0.478 19180 198 1 9 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.226 -0.106 19180 199 1 9 . 1 1 13 13 TRP H H 13 7.964 7.964 8.513 -0.549 19180 200 1 9 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.579 -0.334 19180 201 1 9 . 1 1 14 14 LEU H H 14 8.458 8.458 7.401 1.057 19180 202 1 9 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180 203 1 9 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180 204 1 9 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.644 -0.017 19180 205 1 9 . 1 1 19 19 TRP H H 19 8.767 8.767 7.980 0.787 19180 206 1 9 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.256 0.242 19180 207 1 9 . 1 1 20 20 ALA H H 20 7.851 7.851 7.890 -0.039 19180 208 1 10 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.078 -0.072 19180 209 1 10 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.640 -0.378 19180 210 1 10 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.438 -0.102 19180 211 1 10 . 1 1 5 5 SER HA H 5 4.189 4.189 4.043 0.146 19180 212 1 10 . 1 1 5 5 SER H H 5 8.229 8.229 8.550 -0.321 19180 213 1 10 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.315 0.159 19180 214 1 10 . 1 1 9 9 ALA H H 9 8.272 8.272 8.400 -0.128 19180 215 1 10 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180 216 1 10 . 1 1 10 10 TYR H H 10 8.545 8.545 8.248 0.297 19180 217 1 10 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.065 0.060 19180 218 1 10 . 1 1 11 11 ALA H H 11 8.417 8.417 7.658 0.759 19180 219 1 10 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.072 -0.117 19180 220 1 10 . 1 1 12 12 GLN H H 12 8.164 8.164 7.675 0.489 19180 221 1 10 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.205 -0.085 19180 222 1 10 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180 223 1 10 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.434 -0.189 19180 224 1 10 . 1 1 14 14 LEU H H 14 8.458 8.458 7.584 0.874 19180 225 1 10 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180 226 1 10 . 1 1 15 15 ALA H H 15 7.924 7.924 7.590 0.334 19180 227 1 10 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.555 0.072 19180 228 1 10 . 1 1 19 19 TRP H H 19 8.767 8.767 7.740 1.027 19180 229 1 10 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.535 -0.037 19180 230 1 10 . 1 1 20 20 ALA H H 20 7.851 7.851 7.843 0.008 19180 231 1 11 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.061 -0.055 19180 232 1 11 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.687 -0.425 19180 233 1 11 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.451 -0.115 19180 234 1 11 . 1 1 5 5 SER HA H 5 4.189 4.189 4.119 0.070 19180 235 1 11 . 1 1 5 5 SER H H 5 8.229 8.229 8.322 -0.093 19180 236 1 11 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.335 0.139 19180 237 1 11 . 1 1 9 9 ALA H H 9 8.272 8.272 8.413 -0.141 19180 238 1 11 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.029 -0.098 19180 239 1 11 . 1 1 10 10 TYR H H 10 8.545 8.545 8.191 0.354 19180 240 1 11 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.133 -0.008 19180 241 1 11 . 1 1 11 11 ALA H H 11 8.417 8.417 7.683 0.734 19180 242 1 11 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.085 -0.130 19180 243 1 11 . 1 1 12 12 GLN H H 12 8.164 8.164 7.691 0.473 19180 244 1 11 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.173 -0.053 19180 245 1 11 . 1 1 13 13 TRP H H 13 7.964 7.964 8.494 -0.530 19180 246 1 11 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.562 -0.317 19180 247 1 11 . 1 1 14 14 LEU H H 14 8.458 8.458 7.382 1.076 19180 248 1 11 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180 249 1 11 . 1 1 15 15 ALA H H 15 7.924 7.924 7.600 0.324 19180 250 1 11 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.499 0.128 19180 251 1 11 . 1 1 19 19 TRP H H 19 8.767 8.767 7.664 1.103 19180 252 1 11 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.676 -0.178 19180 253 1 11 . 1 1 20 20 ALA H H 20 7.851 7.851 7.831 0.020 19180 254 1 12 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.235 -0.229 19180 255 1 12 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.554 -0.292 19180 256 1 12 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.439 -0.103 19180 257 1 12 . 1 1 5 5 SER HA H 5 4.189 4.189 4.069 0.120 19180 258 1 12 . 1 1 5 5 SER H H 5 8.229 8.229 8.223 0.006 19180 259 1 12 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.307 0.167 19180 260 1 12 . 1 1 9 9 ALA H H 9 8.272 8.272 8.482 -0.210 19180 261 1 12 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.031 -0.100 19180 262 1 12 . 1 1 10 10 TYR H H 10 8.545 8.545 7.919 0.626 19180 263 1 12 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.131 -0.006 19180 264 1 12 . 1 1 11 11 ALA H H 11 8.417 8.417 7.600 0.817 19180 265 1 12 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180 266 1 12 . 1 1 12 12 GLN H H 12 8.164 8.164 7.608 0.556 19180 267 1 12 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.204 -0.084 19180 268 1 12 . 1 1 13 13 TRP H H 13 7.964 7.964 8.587 -0.623 19180 269 1 12 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.547 -0.302 19180 270 1 12 . 1 1 14 14 LEU H H 14 8.458 8.458 7.496 0.962 19180 271 1 12 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180 272 1 12 . 1 1 15 15 ALA H H 15 7.924 7.924 7.596 0.328 19180 273 1 12 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.625 0.002 19180 274 1 12 . 1 1 19 19 TRP H H 19 8.767 8.767 7.780 0.987 19180 275 1 12 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.561 -0.063 19180 276 1 12 . 1 1 20 20 ALA H H 20 7.851 7.851 7.749 0.102 19180 277 1 13 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.420 -0.414 19180 278 1 13 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.599 -0.337 19180 279 1 13 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.417 -0.081 19180 280 1 13 . 1 1 5 5 SER HA H 5 4.189 4.189 4.105 0.084 19180 281 1 13 . 1 1 5 5 SER H H 5 8.229 8.229 8.109 0.120 19180 282 1 13 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.221 0.253 19180 283 1 13 . 1 1 9 9 ALA H H 9 8.272 8.272 8.379 -0.107 19180 284 1 13 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180 285 1 13 . 1 1 10 10 TYR H H 10 8.545 8.545 8.114 0.431 19180 286 1 13 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.104 0.021 19180 287 1 13 . 1 1 11 11 ALA H H 11 8.417 8.417 7.666 0.751 19180 288 1 13 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.079 -0.124 19180 289 1 13 . 1 1 12 12 GLN H H 12 8.164 8.164 7.693 0.471 19180 290 1 13 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.191 -0.071 19180 291 1 13 . 1 1 13 13 TRP H H 13 7.964 7.964 8.438 -0.474 19180 292 1 13 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.539 -0.294 19180 293 1 13 . 1 1 14 14 LEU H H 14 8.458 8.458 7.607 0.851 19180 294 1 13 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.016 -0.025 19180 295 1 13 . 1 1 15 15 ALA H H 15 7.924 7.924 7.623 0.301 19180 296 1 13 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.556 0.071 19180 297 1 13 . 1 1 19 19 TRP H H 19 8.767 8.767 7.706 1.061 19180 298 1 13 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.653 -0.155 19180 299 1 13 . 1 1 20 20 ALA H H 20 7.851 7.851 7.727 0.124 19180 300 1 14 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.457 -0.451 19180 301 1 14 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.698 -0.436 19180 302 1 14 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.430 -0.094 19180 303 1 14 . 1 1 5 5 SER HA H 5 4.189 4.189 4.007 0.182 19180 304 1 14 . 1 1 5 5 SER H H 5 8.229 8.229 8.612 -0.383 19180 305 1 14 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.248 0.226 19180 306 1 14 . 1 1 9 9 ALA H H 9 8.272 8.272 8.555 -0.283 19180 307 1 14 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.017 -0.086 19180 308 1 14 . 1 1 10 10 TYR H H 10 8.545 8.545 8.320 0.225 19180 309 1 14 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.082 0.043 19180 310 1 14 . 1 1 11 11 ALA H H 11 8.417 8.417 7.683 0.734 19180 311 1 14 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.058 -0.103 19180 312 1 14 . 1 1 12 12 GLN H H 12 8.164 8.164 7.595 0.569 19180 313 1 14 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.224 -0.104 19180 314 1 14 . 1 1 13 13 TRP H H 13 7.964 7.964 8.527 -0.563 19180 315 1 14 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.480 -0.235 19180 316 1 14 . 1 1 14 14 LEU H H 14 8.458 8.458 7.581 0.877 19180 317 1 14 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180 318 1 14 . 1 1 15 15 ALA H H 15 7.924 7.924 7.633 0.291 19180 319 1 14 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.586 0.041 19180 320 1 14 . 1 1 19 19 TRP H H 19 8.767 8.767 7.742 1.025 19180 321 1 14 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.602 -0.104 19180 322 1 14 . 1 1 20 20 ALA H H 20 7.851 7.851 7.720 0.131 19180 323 1 15 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.118 -0.112 19180 324 1 15 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.536 -0.274 19180 325 1 15 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.466 -0.130 19180 326 1 15 . 1 1 5 5 SER HA H 5 4.189 4.189 3.977 0.212 19180 327 1 15 . 1 1 5 5 SER H H 5 8.229 8.229 8.648 -0.419 19180 328 1 15 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.288 0.186 19180 329 1 15 . 1 1 9 9 ALA H H 9 8.272 8.272 8.561 -0.289 19180 330 1 15 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.036 -0.105 19180 331 1 15 . 1 1 10 10 TYR H H 10 8.545 8.545 7.970 0.575 19180 332 1 15 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.022 0.103 19180 333 1 15 . 1 1 11 11 ALA H H 11 8.417 8.417 7.546 0.871 19180 334 1 15 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.035 -0.080 19180 335 1 15 . 1 1 12 12 GLN H H 12 8.164 8.164 7.576 0.588 19180 336 1 15 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.214 -0.094 19180 337 1 15 . 1 1 13 13 TRP H H 13 7.964 7.964 8.430 -0.466 19180 338 1 15 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.460 -0.215 19180 339 1 15 . 1 1 14 14 LEU H H 14 8.458 8.458 7.615 0.843 19180 340 1 15 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.014 -0.023 19180 341 1 15 . 1 1 15 15 ALA H H 15 7.924 7.924 7.574 0.350 19180 342 1 15 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.546 0.081 19180 343 1 15 . 1 1 19 19 TRP H H 19 8.767 8.767 7.704 1.063 19180 344 1 15 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.601 -0.103 19180 345 1 15 . 1 1 20 20 ALA H H 20 7.851 7.851 7.732 0.119 19180 346 1 16 . 1 1 2 2 PRO HA H 2 4.006 4.006 3.889 0.117 19180 347 1 16 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.610 -0.348 19180 348 1 16 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.449 -0.113 19180 349 1 16 . 1 1 5 5 SER HA H 5 4.189 4.189 4.102 0.087 19180 350 1 16 . 1 1 5 5 SER H H 5 8.229 8.229 8.238 -0.009 19180 351 1 16 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.334 0.140 19180 352 1 16 . 1 1 9 9 ALA H H 9 8.272 8.272 8.406 -0.134 19180 353 1 16 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.014 -0.083 19180 354 1 16 . 1 1 10 10 TYR H H 10 8.545 8.545 8.201 0.344 19180 355 1 16 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.115 0.010 19180 356 1 16 . 1 1 11 11 ALA H H 11 8.417 8.417 7.680 0.737 19180 357 1 16 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.083 -0.128 19180 358 1 16 . 1 1 12 12 GLN H H 12 8.164 8.164 7.681 0.483 19180 359 1 16 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180 360 1 16 . 1 1 13 13 TRP H H 13 7.964 7.964 8.385 -0.421 19180 361 1 16 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.515 -0.270 19180 362 1 16 . 1 1 14 14 LEU H H 14 8.458 8.458 7.503 0.955 19180 363 1 16 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180 364 1 16 . 1 1 15 15 ALA H H 15 7.924 7.924 7.576 0.348 19180 365 1 16 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.520 0.107 19180 366 1 16 . 1 1 19 19 TRP H H 19 8.767 8.767 7.694 1.073 19180 367 1 16 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.582 -0.084 19180 368 1 16 . 1 1 20 20 ALA H H 20 7.851 7.851 7.791 0.060 19180 369 1 17 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.237 -0.231 19180 370 1 17 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.571 -0.309 19180 371 1 17 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.459 -0.123 19180 372 1 17 . 1 1 5 5 SER HA H 5 4.189 4.189 3.990 0.199 19180 373 1 17 . 1 1 5 5 SER H H 5 8.229 8.229 8.631 -0.402 19180 374 1 17 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.302 0.172 19180 375 1 17 . 1 1 9 9 ALA H H 9 8.272 8.272 8.561 -0.289 19180 376 1 17 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.030 -0.099 19180 377 1 17 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180 378 1 17 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.028 0.097 19180 379 1 17 . 1 1 11 11 ALA H H 11 8.417 8.417 7.618 0.799 19180 380 1 17 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.066 -0.111 19180 381 1 17 . 1 1 12 12 GLN H H 12 8.164 8.164 7.678 0.486 19180 382 1 17 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.211 -0.091 19180 383 1 17 . 1 1 13 13 TRP H H 13 7.964 7.964 8.381 -0.417 19180 384 1 17 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.434 -0.189 19180 385 1 17 . 1 1 14 14 LEU H H 14 8.458 8.458 7.596 0.862 19180 386 1 17 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.039 -0.048 19180 387 1 17 . 1 1 15 15 ALA H H 15 7.924 7.924 7.601 0.323 19180 388 1 17 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.582 0.045 19180 389 1 17 . 1 1 19 19 TRP H H 19 8.767 8.767 7.741 1.026 19180 390 1 17 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.620 -0.122 19180 391 1 17 . 1 1 20 20 ALA H H 20 7.851 7.851 7.703 0.148 19180 392 1 18 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.078 -0.072 19180 393 1 18 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.603 -0.342 19180 394 1 18 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.417 -0.081 19180 395 1 18 . 1 1 5 5 SER HA H 5 4.189 4.189 4.110 0.079 19180 396 1 18 . 1 1 5 5 SER H H 5 8.229 8.229 8.111 0.118 19180 397 1 18 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.234 0.240 19180 398 1 18 . 1 1 9 9 ALA H H 9 8.272 8.272 8.410 -0.138 19180 399 1 18 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.015 -0.084 19180 400 1 18 . 1 1 10 10 TYR H H 10 8.545 8.545 8.100 0.445 19180 401 1 18 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.141 -0.016 19180 402 1 18 . 1 1 11 11 ALA H H 11 8.417 8.417 7.635 0.782 19180 403 1 18 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.069 -0.114 19180 404 1 18 . 1 1 12 12 GLN H H 12 8.164 8.164 7.610 0.554 19180 405 1 18 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.234 -0.114 19180 406 1 18 . 1 1 13 13 TRP H H 13 7.964 7.964 8.481 -0.517 19180 407 1 18 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.546 -0.301 19180 408 1 18 . 1 1 14 14 LEU H H 14 8.458 8.458 7.585 0.873 19180 409 1 18 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.024 -0.033 19180 410 1 18 . 1 1 15 15 ALA H H 15 7.924 7.924 7.614 0.310 19180 411 1 18 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.589 0.038 19180 412 1 18 . 1 1 19 19 TRP H H 19 8.767 8.767 7.822 0.945 19180 413 1 18 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.571 -0.073 19180 414 1 18 . 1 1 20 20 ALA H H 20 7.851 7.851 7.766 0.085 19180 415 1 19 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.209 -0.203 19180 416 1 19 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.563 -0.301 19180 417 1 19 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.413 -0.077 19180 418 1 19 . 1 1 5 5 SER HA H 5 4.189 4.189 4.108 0.081 19180 419 1 19 . 1 1 5 5 SER H H 5 8.229 8.229 8.269 -0.040 19180 420 1 19 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.324 0.150 19180 421 1 19 . 1 1 9 9 ALA H H 9 8.272 8.272 8.415 -0.143 19180 422 1 19 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.009 -0.078 19180 423 1 19 . 1 1 10 10 TYR H H 10 8.545 8.545 8.167 0.378 19180 424 1 19 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.120 0.005 19180 425 1 19 . 1 1 11 11 ALA H H 11 8.417 8.417 7.630 0.787 19180 426 1 19 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180 427 1 19 . 1 1 12 12 GLN H H 12 8.164 8.164 7.688 0.476 19180 428 1 19 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.192 -0.072 19180 429 1 19 . 1 1 13 13 TRP H H 13 7.964 7.964 8.456 -0.492 19180 430 1 19 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.551 -0.306 19180 431 1 19 . 1 1 14 14 LEU H H 14 8.458 8.458 7.496 0.962 19180 432 1 19 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.042 -0.051 19180 433 1 19 . 1 1 15 15 ALA H H 15 7.924 7.924 7.605 0.319 19180 434 1 19 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.629 -0.002 19180 435 1 19 . 1 1 19 19 TRP H H 19 8.767 8.767 7.788 0.979 19180 436 1 19 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.556 -0.058 19180 437 1 19 . 1 1 20 20 ALA H H 20 7.851 7.851 7.748 0.103 19180 438 1 20 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.437 -0.431 19180 439 1 20 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.705 -0.443 19180 440 1 20 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.486 -0.150 19180 441 1 20 . 1 1 5 5 SER HA H 5 4.189 4.189 4.043 0.146 19180 442 1 20 . 1 1 5 5 SER H H 5 8.229 8.229 8.545 -0.316 19180 443 1 20 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.322 0.152 19180 444 1 20 . 1 1 9 9 ALA H H 9 8.272 8.272 8.407 -0.135 19180 445 1 20 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.016 -0.085 19180 446 1 20 . 1 1 10 10 TYR H H 10 8.545 8.545 8.222 0.323 19180 447 1 20 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.067 0.058 19180 448 1 20 . 1 1 11 11 ALA H H 11 8.417 8.417 7.653 0.764 19180 449 1 20 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.075 -0.120 19180 450 1 20 . 1 1 12 12 GLN H H 12 8.164 8.164 7.675 0.489 19180 451 1 20 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.175 -0.055 19180 452 1 20 . 1 1 13 13 TRP H H 13 7.964 7.964 8.476 -0.512 19180 453 1 20 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.478 -0.233 19180 454 1 20 . 1 1 14 14 LEU H H 14 8.458 8.458 7.578 0.880 19180 455 1 20 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.026 -0.035 19180 456 1 20 . 1 1 15 15 ALA H H 15 7.924 7.924 7.569 0.355 19180 457 1 20 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.614 0.013 19180 458 1 20 . 1 1 19 19 TRP H H 19 8.767 8.767 7.642 1.125 19180 459 1 20 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.654 -0.156 19180 460 1 20 . 1 1 20 20 ALA H H 20 7.851 7.851 7.808 0.043 19180 461 1 21 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.111 -0.105 19180 462 1 21 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.576 -0.314 19180 463 1 21 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.466 -0.130 19180 464 1 21 . 1 1 5 5 SER HA H 5 4.189 4.189 3.986 0.203 19180 465 1 21 . 1 1 5 5 SER H H 5 8.229 8.229 8.640 -0.411 19180 466 1 21 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.284 0.190 19180 467 1 21 . 1 1 9 9 ALA H H 9 8.272 8.272 8.559 -0.287 19180 468 1 21 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.035 -0.104 19180 469 1 21 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180 470 1 21 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.019 0.106 19180 471 1 21 . 1 1 11 11 ALA H H 11 8.417 8.417 7.634 0.783 19180 472 1 21 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.063 -0.108 19180 473 1 21 . 1 1 12 12 GLN H H 12 8.164 8.164 7.665 0.499 19180 474 1 21 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.192 -0.072 19180 475 1 21 . 1 1 13 13 TRP H H 13 7.964 7.964 8.332 -0.368 19180 476 1 21 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.431 -0.186 19180 477 1 21 . 1 1 14 14 LEU H H 14 8.458 8.458 7.593 0.865 19180 478 1 21 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.015 -0.024 19180 479 1 21 . 1 1 15 15 ALA H H 15 7.924 7.924 7.568 0.356 19180 480 1 21 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.546 0.081 19180 481 1 21 . 1 1 19 19 TRP H H 19 8.767 8.767 7.700 1.067 19180 482 1 21 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.595 -0.097 19180 483 1 21 . 1 1 20 20 ALA H H 20 7.851 7.851 7.792 0.059 19180 484 1 22 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.502 -0.496 19180 485 1 22 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.779 -0.517 19180 486 1 22 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.498 -0.162 19180 487 1 22 . 1 1 5 5 SER HA H 5 4.189 4.189 4.059 0.130 19180 488 1 22 . 1 1 5 5 SER H H 5 8.229 8.229 8.601 -0.372 19180 489 1 22 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.133 0.341 19180 490 1 22 . 1 1 9 9 ALA H H 9 8.272 8.272 8.450 -0.178 19180 491 1 22 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.024 -0.093 19180 492 1 22 . 1 1 10 10 TYR H H 10 8.545 8.545 8.259 0.286 19180 493 1 22 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.090 0.035 19180 494 1 22 . 1 1 11 11 ALA H H 11 8.417 8.417 7.677 0.740 19180 495 1 22 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.082 -0.127 19180 496 1 22 . 1 1 12 12 GLN H H 12 8.164 8.164 7.686 0.478 19180 497 1 22 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.182 -0.062 19180 498 1 22 . 1 1 13 13 TRP H H 13 7.964 7.964 8.445 -0.481 19180 499 1 22 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.445 -0.200 19180 500 1 22 . 1 1 14 14 LEU H H 14 8.458 8.458 7.554 0.904 19180 501 1 22 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.034 -0.043 19180 502 1 22 . 1 1 15 15 ALA H H 15 7.924 7.924 7.711 0.213 19180 503 1 22 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.618 0.009 19180 504 1 22 . 1 1 19 19 TRP H H 19 8.767 8.767 7.683 1.085 19180 505 1 22 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.691 -0.193 19180 506 1 22 . 1 1 20 20 ALA H H 20 7.851 7.851 7.728 0.123 19180 507 1 23 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.420 -0.414 19180 508 1 23 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.650 -0.388 19180 509 1 23 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.492 -0.156 19180 510 1 23 . 1 1 5 5 SER HA H 5 4.189 4.189 4.017 0.172 19180 511 1 23 . 1 1 5 5 SER H H 5 8.229 8.229 8.574 -0.345 19180 512 1 23 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.317 0.157 19180 513 1 23 . 1 1 9 9 ALA H H 9 8.272 8.272 8.391 -0.119 19180 514 1 23 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.018 -0.087 19180 515 1 23 . 1 1 10 10 TYR H H 10 8.545 8.545 8.341 0.204 19180 516 1 23 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.073 0.052 19180 517 1 23 . 1 1 11 11 ALA H H 11 8.417 8.417 7.623 0.794 19180 518 1 23 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.042 -0.087 19180 519 1 23 . 1 1 12 12 GLN H H 12 8.164 8.164 7.585 0.579 19180 520 1 23 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.228 -0.108 19180 521 1 23 . 1 1 13 13 TRP H H 13 7.964 7.964 8.489 -0.525 19180 522 1 23 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.449 -0.204 19180 523 1 23 . 1 1 14 14 LEU H H 14 8.458 8.458 7.574 0.884 19180 524 1 23 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.019 -0.028 19180 525 1 23 . 1 1 15 15 ALA H H 15 7.924 7.924 7.590 0.334 19180 526 1 23 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.536 0.091 19180 527 1 23 . 1 1 19 19 TRP H H 19 8.767 8.767 7.657 1.110 19180 528 1 23 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.598 -0.100 19180 529 1 23 . 1 1 20 20 ALA H H 20 7.851 7.851 7.744 0.107 19180 530 1 24 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.035 -0.029 19180 531 1 24 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.557 -0.295 19180 532 1 24 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.476 -0.140 19180 533 1 24 . 1 1 5 5 SER HA H 5 4.189 4.189 3.990 0.199 19180 534 1 24 . 1 1 5 5 SER H H 5 8.229 8.229 8.659 -0.430 19180 535 1 24 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.277 0.197 19180 536 1 24 . 1 1 9 9 ALA H H 9 8.272 8.272 8.557 -0.285 19180 537 1 24 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.046 -0.116 19180 538 1 24 . 1 1 10 10 TYR H H 10 8.545 8.545 7.902 0.643 19180 539 1 24 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.065 0.060 19180 540 1 24 . 1 1 11 11 ALA H H 11 8.417 8.417 7.572 0.845 19180 541 1 24 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180 542 1 24 . 1 1 12 12 GLN H H 12 8.164 8.164 7.597 0.567 19180 543 1 24 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180 544 1 24 . 1 1 13 13 TRP H H 13 7.964 7.964 8.464 -0.500 19180 545 1 24 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.431 -0.186 19180 546 1 24 . 1 1 14 14 LEU H H 14 8.458 8.458 7.576 0.882 19180 547 1 24 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.054 -0.063 19180 548 1 24 . 1 1 15 15 ALA H H 15 7.924 7.924 7.557 0.367 19180 549 1 24 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.567 0.060 19180 550 1 24 . 1 1 19 19 TRP H H 19 8.767 8.767 7.704 1.063 19180 551 1 24 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.613 -0.115 19180 552 1 24 . 1 1 20 20 ALA H H 20 7.851 7.851 7.771 0.080 19180 553 1 25 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.092 -0.086 19180 554 1 25 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.507 -0.245 19180 555 1 25 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.486 -0.150 19180 556 1 25 . 1 1 5 5 SER HA H 5 4.189 4.189 4.112 0.077 19180 557 1 25 . 1 1 5 5 SER H H 5 8.229 8.229 8.249 -0.020 19180 558 1 25 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.303 0.171 19180 559 1 25 . 1 1 9 9 ALA H H 9 8.272 8.272 8.483 -0.211 19180 560 1 25 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.030 -0.099 19180 561 1 25 . 1 1 10 10 TYR H H 10 8.545 8.545 7.836 0.709 19180 562 1 25 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.095 0.030 19180 563 1 25 . 1 1 11 11 ALA H H 11 8.417 8.417 7.633 0.784 19180 564 1 25 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.080 -0.125 19180 565 1 25 . 1 1 12 12 GLN H H 12 8.164 8.164 7.689 0.475 19180 566 1 25 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.225 -0.105 19180 567 1 25 . 1 1 13 13 TRP H H 13 7.964 7.964 8.488 -0.524 19180 568 1 25 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.534 -0.289 19180 569 1 25 . 1 1 14 14 LEU H H 14 8.458 8.458 7.514 0.944 19180 570 1 25 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.041 -0.050 19180 571 1 25 . 1 1 15 15 ALA H H 15 7.924 7.924 7.597 0.327 19180 572 1 25 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.622 0.005 19180 573 1 25 . 1 1 19 19 TRP H H 19 8.767 8.767 7.868 0.899 19180 574 1 25 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.569 -0.071 19180 575 1 25 . 1 1 20 20 ALA H H 20 7.851 7.851 7.750 0.101 19180 576 1 26 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.359 -0.353 19180 577 1 26 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.599 -0.337 19180 578 1 26 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.434 -0.098 19180 579 1 26 . 1 1 5 5 SER HA H 5 4.189 4.189 3.997 0.192 19180 580 1 26 . 1 1 5 5 SER H H 5 8.229 8.229 8.751 -0.522 19180 581 1 26 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.281 0.193 19180 582 1 26 . 1 1 9 9 ALA H H 9 8.272 8.272 8.558 -0.286 19180 583 1 26 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.031 -0.100 19180 584 1 26 . 1 1 10 10 TYR H H 10 8.545 8.545 7.965 0.580 19180 585 1 26 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.005 0.120 19180 586 1 26 . 1 1 11 11 ALA H H 11 8.417 8.417 7.539 0.878 19180 587 1 26 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.066 -0.111 19180 588 1 26 . 1 1 12 12 GLN H H 12 8.164 8.164 7.661 0.503 19180 589 1 26 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.158 -0.038 19180 590 1 26 . 1 1 13 13 TRP H H 13 7.964 7.964 8.282 -0.318 19180 591 1 26 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.461 -0.216 19180 592 1 26 . 1 1 14 14 LEU H H 14 8.458 8.458 7.600 0.858 19180 593 1 26 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.024 -0.033 19180 594 1 26 . 1 1 15 15 ALA H H 15 7.924 7.924 7.567 0.357 19180 595 1 26 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.581 0.046 19180 596 1 26 . 1 1 19 19 TRP H H 19 8.767 8.767 7.624 1.143 19180 597 1 26 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.568 -0.070 19180 598 1 26 . 1 1 20 20 ALA H H 20 7.851 7.851 7.742 0.109 19180 599 1 27 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.271 -0.265 19180 600 1 27 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.631 -0.369 19180 601 1 27 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.433 -0.097 19180 602 1 27 . 1 1 5 5 SER HA H 5 4.189 4.189 4.009 0.180 19180 603 1 27 . 1 1 5 5 SER H H 5 8.229 8.229 8.740 -0.511 19180 604 1 27 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.295 0.179 19180 605 1 27 . 1 1 9 9 ALA H H 9 8.272 8.272 8.560 -0.288 19180 606 1 27 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.029 -0.098 19180 607 1 27 . 1 1 10 10 TYR H H 10 8.545 8.545 7.971 0.574 19180 608 1 27 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.038 0.087 19180 609 1 27 . 1 1 11 11 ALA H H 11 8.417 8.417 7.623 0.794 19180 610 1 27 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.088 -0.133 19180 611 1 27 . 1 1 12 12 GLN H H 12 8.164 8.164 7.660 0.503 19180 612 1 27 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.188 -0.068 19180 613 1 27 . 1 1 13 13 TRP H H 13 7.964 7.964 8.424 -0.460 19180 614 1 27 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.435 -0.190 19180 615 1 27 . 1 1 14 14 LEU H H 14 8.458 8.458 7.578 0.880 19180 616 1 27 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.020 -0.029 19180 617 1 27 . 1 1 15 15 ALA H H 15 7.924 7.924 7.580 0.344 19180 618 1 27 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.561 0.066 19180 619 1 27 . 1 1 19 19 TRP H H 19 8.767 8.767 7.691 1.076 19180 620 1 27 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.546 -0.048 19180 621 1 27 . 1 1 20 20 ALA H H 20 7.851 7.851 7.827 0.024 19180 622 1 28 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.094 -0.088 19180 623 1 28 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.539 -0.277 19180 624 1 28 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.421 -0.085 19180 625 1 28 . 1 1 5 5 SER HA H 5 4.189 4.189 4.012 0.177 19180 626 1 28 . 1 1 5 5 SER H H 5 8.229 8.229 8.737 -0.508 19180 627 1 28 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.297 0.177 19180 628 1 28 . 1 1 9 9 ALA H H 9 8.272 8.272 8.560 -0.288 19180 629 1 28 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.036 -0.105 19180 630 1 28 . 1 1 10 10 TYR H H 10 8.545 8.545 7.971 0.574 19180 631 1 28 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.053 0.072 19180 632 1 28 . 1 1 11 11 ALA H H 11 8.417 8.417 7.611 0.806 19180 633 1 28 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.045 -0.090 19180 634 1 28 . 1 1 12 12 GLN H H 12 8.164 8.164 7.578 0.586 19180 635 1 28 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.215 -0.095 19180 636 1 28 . 1 1 13 13 TRP H H 13 7.964 7.964 8.481 -0.517 19180 637 1 28 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.432 -0.187 19180 638 1 28 . 1 1 14 14 LEU H H 14 8.458 8.458 7.592 0.866 19180 639 1 28 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.021 -0.030 19180 640 1 28 . 1 1 15 15 ALA H H 15 7.924 7.924 7.548 0.376 19180 641 1 28 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.599 0.028 19180 642 1 28 . 1 1 19 19 TRP H H 19 8.767 8.767 7.742 1.025 19180 643 1 28 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.609 -0.111 19180 644 1 28 . 1 1 20 20 ALA H H 20 7.851 7.851 7.701 0.150 19180 645 1 29 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.225 -0.219 19180 646 1 29 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.683 -0.421 19180 647 1 29 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.436 -0.100 19180 648 1 29 . 1 1 5 5 SER HA H 5 4.189 4.189 4.053 0.136 19180 649 1 29 . 1 1 5 5 SER H H 5 8.229 8.229 8.528 -0.299 19180 650 1 29 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.237 0.237 19180 651 1 29 . 1 1 9 9 ALA H H 9 8.272 8.272 8.398 -0.126 19180 652 1 29 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.022 -0.091 19180 653 1 29 . 1 1 10 10 TYR H H 10 8.545 8.545 8.204 0.341 19180 654 1 29 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.062 0.063 19180 655 1 29 . 1 1 11 11 ALA H H 11 8.417 8.417 7.714 0.703 19180 656 1 29 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.073 -0.118 19180 657 1 29 . 1 1 12 12 GLN H H 12 8.164 8.164 7.679 0.485 19180 658 1 29 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.197 -0.077 19180 659 1 29 . 1 1 13 13 TRP H H 13 7.964 7.964 8.402 -0.438 19180 660 1 29 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.429 -0.184 19180 661 1 29 . 1 1 14 14 LEU H H 14 8.458 8.458 7.586 0.872 19180 662 1 29 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.023 -0.032 19180 663 1 29 . 1 1 15 15 ALA H H 15 7.924 7.924 7.593 0.331 19180 664 1 29 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.549 0.078 19180 665 1 29 . 1 1 19 19 TRP H H 19 8.767 8.767 7.617 1.150 19180 666 1 29 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.598 -0.100 19180 667 1 29 . 1 1 20 20 ALA H H 20 7.851 7.851 7.768 0.083 19180 668 1 30 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.027 -0.021 19180 669 1 30 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.522 -0.260 19180 670 1 30 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.433 -0.097 19180 671 1 30 . 1 1 5 5 SER HA H 5 4.189 4.189 4.121 0.068 19180 672 1 30 . 1 1 5 5 SER H H 5 8.229 8.229 8.274 -0.045 19180 673 1 30 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.324 0.150 19180 674 1 30 . 1 1 9 9 ALA H H 9 8.272 8.272 8.412 -0.140 19180 675 1 30 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.026 -0.095 19180 676 1 30 . 1 1 10 10 TYR H H 10 8.545 8.545 8.149 0.396 19180 677 1 30 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.111 0.014 19180 678 1 30 . 1 1 11 11 ALA H H 11 8.417 8.417 7.671 0.746 19180 679 1 30 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180 680 1 30 . 1 1 12 12 GLN H H 12 8.164 8.164 7.685 0.479 19180 681 1 30 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.195 -0.075 19180 682 1 30 . 1 1 13 13 TRP H H 13 7.964 7.964 8.463 -0.499 19180 683 1 30 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.491 -0.246 19180 684 1 30 . 1 1 14 14 LEU H H 14 8.458 8.458 7.474 0.984 19180 685 1 30 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.077 -0.086 19180 686 1 30 . 1 1 15 15 ALA H H 15 7.924 7.924 7.495 0.429 19180 687 1 30 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.593 0.034 19180 688 1 30 . 1 1 19 19 TRP H H 19 8.767 8.767 7.857 0.910 19180 689 1 30 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.511 -0.013 19180 690 1 30 . 1 1 20 20 ALA H H 20 7.851 7.851 7.958 -0.107 19180 691 1 31 . 1 1 2 2 PRO HA H 2 4.006 4.006 3.927 0.079 19180 692 1 31 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.572 -0.310 19180 693 1 31 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.432 -0.096 19180 694 1 31 . 1 1 5 5 SER HA H 5 4.189 4.189 4.117 0.072 19180 695 1 31 . 1 1 5 5 SER H H 5 8.229 8.229 8.187 0.042 19180 696 1 31 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.318 0.156 19180 697 1 31 . 1 1 9 9 ALA H H 9 8.272 8.272 8.411 -0.139 19180 698 1 31 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.006 -0.075 19180 699 1 31 . 1 1 10 10 TYR H H 10 8.545 8.545 8.160 0.385 19180 700 1 31 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.111 0.014 19180 701 1 31 . 1 1 11 11 ALA H H 11 8.417 8.417 7.627 0.790 19180 702 1 31 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.097 -0.142 19180 703 1 31 . 1 1 12 12 GLN H H 12 8.164 8.164 7.735 0.429 19180 704 1 31 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.216 -0.096 19180 705 1 31 . 1 1 13 13 TRP H H 13 7.964 7.964 8.451 -0.487 19180 706 1 31 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.546 -0.301 19180 707 1 31 . 1 1 14 14 LEU H H 14 8.458 8.458 7.593 0.865 19180 708 1 31 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.068 -0.077 19180 709 1 31 . 1 1 15 15 ALA H H 15 7.924 7.924 7.634 0.290 19180 710 1 31 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.666 -0.039 19180 711 1 31 . 1 1 19 19 TRP H H 19 8.767 8.767 7.866 0.901 19180 712 1 31 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.339 0.159 19180 713 1 31 . 1 1 20 20 ALA H H 20 7.851 7.851 7.687 0.164 19180 714 1 32 . 1 1 2 2 PRO HA H 2 4.006 4.006 4.141 -0.135 19180 715 1 32 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.529 -0.267 19180 716 1 32 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.455 -0.119 19180 717 1 32 . 1 1 5 5 SER HA H 5 4.189 4.189 4.035 0.154 19180 718 1 32 . 1 1 5 5 SER H H 5 8.229 8.229 8.371 -0.142 19180 719 1 32 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.304 0.170 19180 720 1 32 . 1 1 9 9 ALA H H 9 8.272 8.272 8.558 -0.286 19180 721 1 32 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.023 -0.092 19180 722 1 32 . 1 1 10 10 TYR H H 10 8.545 8.545 7.902 0.643 19180 723 1 32 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.105 0.020 19180 724 1 32 . 1 1 11 11 ALA H H 11 8.417 8.417 7.622 0.795 19180 725 1 32 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.081 -0.126 19180 726 1 32 . 1 1 12 12 GLN H H 12 8.164 8.164 7.677 0.487 19180 727 1 32 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.203 -0.083 19180 728 1 32 . 1 1 13 13 TRP H H 13 7.964 7.964 8.478 -0.514 19180 729 1 32 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.503 -0.258 19180 730 1 32 . 1 1 14 14 LEU H H 14 8.458 8.458 7.507 0.951 19180 731 1 32 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.022 -0.031 19180 732 1 32 . 1 1 15 15 ALA H H 15 7.924 7.924 7.566 0.358 19180 733 1 32 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.557 0.070 19180 734 1 32 . 1 1 19 19 TRP H H 19 8.767 8.767 7.687 1.080 19180 735 1 32 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.587 -0.089 19180 736 1 32 . 1 1 20 20 ALA H H 20 7.851 7.851 7.739 0.112 19180 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 19180 2 1 1 "Average Difference" HA 13 0.154 0.039 0.155 19180 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19180 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19180 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19180 6 1 1 "Average Difference" HN 10 0.562 -0.279 0.514 19180 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19180 8 1 2 "Average Difference" HA 13 0.178 0.076 0.167 19180 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19180 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19180 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19180 12 1 2 "Average Difference" HN 10 0.574 -0.296 0.519 19180 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19180 14 1 3 "Average Difference" HA 13 0.171 0.077 0.159 19180 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19180 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19180 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19180 18 1 3 "Average Difference" HN 10 0.562 -0.281 0.513 19180 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19180 20 1 4 "Average Difference" HA 13 0.178 0.099 0.154 19180 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19180 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19180 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19180 24 1 4 "Average Difference" HN 10 0.579 -0.339 0.494 19180 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19180 26 1 5 "Average Difference" HA 13 0.199 0.099 0.179 19180 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19180 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19180 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19180 30 1 5 "Average Difference" HN 10 0.584 -0.366 0.480 19180 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19180 32 1 6 "Average Difference" HA 13 0.217 0.121 0.187 19180 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19180 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19180 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19180 36 1 6 "Average Difference" HN 10 0.584 -0.335 0.504 19180 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19180 38 1 7 "Average Difference" HA 13 0.160 0.082 0.143 19180 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19180 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19180 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19180 42 1 7 "Average Difference" HN 10 0.625 -0.354 0.543 19180 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19180 44 1 8 "Average Difference" HA 13 0.211 0.104 0.191 19180 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19180 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19180 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19180 48 1 8 "Average Difference" HN 10 0.602 -0.302 0.549 19180 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19180 50 1 9 "Average Difference" HA 13 0.197 0.072 0.191 19180 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19180 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19180 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19180 54 1 9 "Average Difference" HN 10 0.591 -0.317 0.527 19180 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19180 56 1 10 "Average Difference" HA 13 0.147 0.051 0.143 19180 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19180 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19180 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19180 60 1 10 "Average Difference" HN 10 0.564 -0.287 0.512 19180 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19180 62 1 11 "Average Difference" HA 13 0.176 0.084 0.161 19180 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19180 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19180 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19180 66 1 11 "Average Difference" HN 10 0.606 -0.332 0.535 19180 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19180 68 1 12 "Average Difference" HA 13 0.157 0.081 0.139 19180 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19180 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19180 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19180 72 1 12 "Average Difference" HN 10 0.618 -0.355 0.533 19180 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19180 74 1 13 "Average Difference" HA 13 0.197 0.089 0.183 19180 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19180 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19180 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19180 78 1 13 "Average Difference" HN 10 0.564 -0.353 0.463 19180 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19180 80 1 14 "Average Difference" HA 13 0.212 0.089 0.201 19180 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19180 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19180 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19180 84 1 14 "Average Difference" HN 10 0.581 -0.262 0.547 19180 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19180 86 1 15 "Average Difference" HA 13 0.148 0.043 0.148 19180 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19180 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19180 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19180 90 1 15 "Average Difference" HN 10 0.624 -0.324 0.562 19180 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19180 92 1 16 "Average Difference" HA 13 0.151 0.052 0.148 19180 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19180 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19180 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19180 96 1 16 "Average Difference" HN 10 0.573 -0.344 0.483 19180 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19180 98 1 17 "Average Difference" HA 13 0.159 0.062 0.152 19180 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19180 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19180 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19180 102 1 17 "Average Difference" HN 10 0.596 -0.312 0.535 19180 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19180 104 1 18 "Average Difference" HA 13 0.158 0.067 0.149 19180 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19180 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19180 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19180 108 1 18 "Average Difference" HN 10 0.563 -0.346 0.469 19180 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19180 110 1 19 "Average Difference" HA 13 0.151 0.080 0.133 19180 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19180 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19180 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19180 114 1 19 "Average Difference" HN 10 0.570 -0.333 0.488 19180 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19180 116 1 20 "Average Difference" HA 13 0.207 0.103 0.187 19180 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19180 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19180 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19180 120 1 20 "Average Difference" HN 10 0.590 -0.302 0.534 19180 121 1 21 "Average Difference" N 0 0.000 0.000 0.000 19180 122 1 21 "Average Difference" HA 13 0.150 0.043 0.150 19180 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19180 124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 19180 125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 19180 126 1 21 "Average Difference" HN 10 0.600 -0.314 0.539 19180 127 1 22 "Average Difference" N 0 0.000 0.000 0.000 19180 128 1 22 "Average Difference" HA 13 0.245 0.106 0.230 19180 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19180 130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 19180 131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 19180 132 1 22 "Average Difference" HN 10 0.576 -0.280 0.530 19180 133 1 23 "Average Difference" N 0 0.000 0.000 0.000 19180 134 1 23 "Average Difference" HA 13 0.194 0.085 0.182 19180 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19180 136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 19180 137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 19180 138 1 23 "Average Difference" HN 10 0.596 -0.302 0.541 19180 139 1 24 "Average Difference" N 0 0.000 0.000 0.000 19180 140 1 24 "Average Difference" HA 13 0.147 0.048 0.144 19180 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19180 142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 19180 143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 19180 144 1 24 "Average Difference" HN 10 0.634 -0.323 0.574 19180 145 1 25 "Average Difference" N 0 0.000 0.000 0.000 19180 146 1 25 "Average Difference" HA 13 0.140 0.072 0.124 19180 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19180 148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 19180 149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 19180 150 1 25 "Average Difference" HN 10 0.590 -0.348 0.502 19180 151 1 26 "Average Difference" N 0 0.000 0.000 0.000 19180 152 1 26 "Average Difference" HA 13 0.179 0.062 0.175 19180 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19180 154 1 26 "Average Difference" CA 0 0.000 0.000 0.000 19180 155 1 26 "Average Difference" CB 0 0.000 0.000 0.000 19180 156 1 26 "Average Difference" HN 10 0.632 -0.330 0.568 19180 157 1 27 "Average Difference" N 0 0.000 0.000 0.000 19180 158 1 27 "Average Difference" HA 13 0.167 0.060 0.162 19180 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19180 160 1 27 "Average Difference" CA 0 0.000 0.000 0.000 19180 161 1 27 "Average Difference" CB 0 0.000 0.000 0.000 19180 162 1 27 "Average Difference" HN 10 0.618 -0.294 0.573 19180 163 1 28 "Average Difference" N 0 0.000 0.000 0.000 19180 164 1 28 "Average Difference" HA 13 0.135 0.047 0.132 19180 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19180 166 1 28 "Average Difference" CA 0 0.000 0.000 0.000 19180 167 1 28 "Average Difference" CB 0 0.000 0.000 0.000 19180 168 1 28 "Average Difference" HN 10 0.624 -0.307 0.573 19180 169 1 29 "Average Difference" N 0 0.000 0.000 0.000 19180 170 1 29 "Average Difference" HA 13 0.174 0.064 0.168 19180 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19180 172 1 29 "Average Difference" CA 0 0.000 0.000 0.000 19180 173 1 29 "Average Difference" CB 0 0.000 0.000 0.000 19180 174 1 29 "Average Difference" HN 10 0.578 -0.310 0.514 19180 175 1 30 "Average Difference" N 0 0.000 0.000 0.000 19180 176 1 30 "Average Difference" HA 13 0.125 0.058 0.116 19180 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19180 178 1 30 "Average Difference" CA 0 0.000 0.000 0.000 19180 179 1 30 "Average Difference" CB 0 0.000 0.000 0.000 19180 180 1 30 "Average Difference" HN 10 0.566 -0.315 0.496 19180 181 1 31 "Average Difference" N 0 0.000 0.000 0.000 19180 182 1 31 "Average Difference" HA 13 0.152 0.050 0.149 19180 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 19180 184 1 31 "Average Difference" CA 0 0.000 0.000 0.000 19180 185 1 31 "Average Difference" CB 0 0.000 0.000 0.000 19180 186 1 31 "Average Difference" HN 10 0.537 -0.324 0.452 19180 187 1 32 "Average Difference" N 0 0.000 0.000 0.000 19180 188 1 32 "Average Difference" HA 13 0.144 0.061 0.136 19180 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 19180 190 1 32 "Average Difference" CA 0 0.000 0.000 0.000 19180 191 1 32 "Average Difference" CB 0 0.000 0.000 0.000 19180 192 1 32 "Average Difference" HN 10 0.621 -0.348 0.542 19180 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 19180 _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 PRO HA H 2 4.006 4.006 4.227 -0.221 19180 2 1 . 1 1 3 3 PRO HA H 3 2.262 2.262 2.612 -0.350 19180 3 1 . 1 1 4 4 PRO HA H 4 4.336 4.336 4.454 -0.118 19180 4 1 . 1 1 5 5 SER HA H 5 4.189 4.189 4.055 0.134 19180 5 1 . 1 1 5 5 SER H H 5 8.229 8.229 8.437 -0.208 19180 6 1 . 1 1 9 9 ALA HA H 9 4.474 4.474 4.294 0.180 19180 7 1 . 1 1 9 9 ALA H H 9 8.272 8.272 8.463 -0.191 19180 8 1 . 1 1 10 10 TYR HA H 10 3.931 3.931 4.023 -0.092 19180 9 1 . 1 1 10 10 TYR H H 10 8.545 8.545 8.104 0.441 19180 10 1 . 1 1 11 11 ALA HA H 11 4.125 4.125 4.085 0.040 19180 11 1 . 1 1 11 11 ALA H H 11 8.417 8.417 7.637 0.780 19180 12 1 . 1 1 12 12 GLN HA H 12 3.955 3.955 4.072 -0.117 19180 13 1 . 1 1 12 12 GLN H H 12 8.164 8.164 7.652 0.512 19180 14 1 . 1 1 13 13 TRP HA H 13 4.120 4.120 4.202 -0.082 19180 15 1 . 1 1 13 13 TRP H H 13 7.964 7.964 8.458 -0.494 19180 16 1 . 1 1 14 14 LEU HA H 14 3.245 3.245 3.493 -0.248 19180 17 1 . 1 1 14 14 LEU H H 14 8.458 8.458 7.546 0.912 19180 18 1 . 1 1 15 15 ALA HA H 15 3.991 3.991 4.031 -0.040 19180 19 1 . 1 1 15 15 ALA H H 15 7.924 7.924 7.589 0.335 19180 20 1 . 1 1 19 19 TRP HA H 19 4.627 4.627 4.583 0.044 19180 21 1 . 1 1 19 19 TRP H H 19 8.767 8.767 7.739 1.028 19180 22 1 . 1 1 20 20 ALA HA H 20 4.498 4.498 4.574 -0.076 19180 23 1 . 1 1 20 20 ALA H H 20 7.851 7.851 7.773 0.078 19180 stop_ save_