data_19183 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19183 _Entry.PDB_ID 2M7D 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 19183 _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 ALA HA H 2 4.246 4.246 4.477 -0.231 19183 2 1 1 . 1 1 2 2 ALA H H 2 8.311 8.311 7.907 0.404 19183 3 1 1 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.177 -0.225 19183 4 1 1 . 1 1 3 3 TYR H H 3 8.849 8.849 8.462 0.387 19183 5 1 1 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.078 0.005 19183 6 1 1 . 1 1 4 4 ALA H H 4 8.311 8.311 8.661 -0.350 19183 7 1 1 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.158 -0.208 19183 8 1 1 . 1 1 5 5 GLN H H 5 8.129 8.129 8.465 -0.336 19183 9 1 1 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.172 -0.076 19183 10 1 1 . 1 1 6 6 TRP H H 6 8.033 8.033 8.038 -0.005 19183 11 1 1 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.480 -0.196 19183 12 1 1 . 1 1 7 7 LEU H H 7 8.381 8.381 7.852 0.529 19183 13 1 1 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.145 -0.145 19183 14 1 1 . 1 1 8 8 ALA H H 8 8.161 8.161 7.482 0.679 19183 15 1 1 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.851 -0.255 19183 16 1 1 . 1 1 12 12 TRP H H 12 9.118 9.118 7.637 1.481 19183 17 1 1 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.330 0.021 19183 18 1 1 . 1 1 13 13 ALA H H 13 7.806 7.806 8.069 -0.263 19183 19 1 1 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.337 -0.338 19183 20 1 1 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.702 -0.672 19183 21 1 1 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.470 -0.181 19183 22 1 2 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.564 -0.318 19183 23 1 2 . 1 1 2 2 ALA H H 2 8.311 8.311 8.492 -0.181 19183 24 1 2 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.069 -0.117 19183 25 1 2 . 1 1 3 3 TYR H H 3 8.849 8.849 8.074 0.775 19183 26 1 2 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.021 0.062 19183 27 1 2 . 1 1 4 4 ALA H H 4 8.311 8.311 8.092 0.219 19183 28 1 2 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.072 -0.122 19183 29 1 2 . 1 1 5 5 GLN H H 5 8.129 8.129 8.161 -0.032 19183 30 1 2 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.171 -0.075 19183 31 1 2 . 1 1 6 6 TRP H H 6 8.033 8.033 7.909 0.124 19183 32 1 2 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.491 -0.207 19183 33 1 2 . 1 1 7 7 LEU H H 7 8.381 8.381 7.866 0.515 19183 34 1 2 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.149 -0.149 19183 35 1 2 . 1 1 8 8 ALA H H 8 8.161 8.161 7.520 0.641 19183 36 1 2 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.838 -0.242 19183 37 1 2 . 1 1 12 12 TRP H H 12 9.118 9.118 7.643 1.475 19183 38 1 2 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.299 0.052 19183 39 1 2 . 1 1 13 13 ALA H H 13 7.806 7.806 8.082 -0.276 19183 40 1 2 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.300 -0.301 19183 41 1 2 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.710 -0.680 19183 42 1 2 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.393 -0.104 19183 43 1 3 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.365 -0.119 19183 44 1 3 . 1 1 2 2 ALA H H 2 8.311 8.311 8.449 -0.138 19183 45 1 3 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.153 -0.201 19183 46 1 3 . 1 1 3 3 TYR H H 3 8.849 8.849 8.463 0.386 19183 47 1 3 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.106 -0.023 19183 48 1 3 . 1 1 4 4 ALA H H 4 8.311 8.311 8.720 -0.409 19183 49 1 3 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.170 -0.220 19183 50 1 3 . 1 1 5 5 GLN H H 5 8.129 8.129 8.375 -0.246 19183 51 1 3 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.164 -0.068 19183 52 1 3 . 1 1 6 6 TRP H H 6 8.033 8.033 8.321 -0.288 19183 53 1 3 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.474 -0.190 19183 54 1 3 . 1 1 7 7 LEU H H 7 8.381 8.381 7.776 0.605 19183 55 1 3 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.157 -0.157 19183 56 1 3 . 1 1 8 8 ALA H H 8 8.161 8.161 7.422 0.739 19183 57 1 3 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.847 -0.251 19183 58 1 3 . 1 1 12 12 TRP H H 12 9.118 9.118 7.650 1.468 19183 59 1 3 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.327 0.024 19183 60 1 3 . 1 1 13 13 ALA H H 13 7.806 7.806 8.070 -0.264 19183 61 1 3 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.342 -0.343 19183 62 1 3 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.686 -0.656 19183 63 1 3 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.467 -0.178 19183 64 1 4 . 1 1 2 2 ALA HA H 2 4.246 4.246 3.954 0.292 19183 65 1 4 . 1 1 2 2 ALA H H 2 8.311 8.311 8.557 -0.246 19183 66 1 4 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.199 -0.247 19183 67 1 4 . 1 1 3 3 TYR H H 3 8.849 8.849 8.271 0.578 19183 68 1 4 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.089 -0.006 19183 69 1 4 . 1 1 4 4 ALA H H 4 8.311 8.311 8.407 -0.096 19183 70 1 4 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.162 -0.212 19183 71 1 4 . 1 1 5 5 GLN H H 5 8.129 8.129 8.450 -0.321 19183 72 1 4 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.173 -0.077 19183 73 1 4 . 1 1 6 6 TRP H H 6 8.033 8.033 8.046 -0.013 19183 74 1 4 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.488 -0.204 19183 75 1 4 . 1 1 7 7 LEU H H 7 8.381 8.381 7.866 0.515 19183 76 1 4 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.143 -0.143 19183 77 1 4 . 1 1 8 8 ALA H H 8 8.161 8.161 7.474 0.687 19183 78 1 4 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.847 -0.251 19183 79 1 4 . 1 1 12 12 TRP H H 12 9.118 9.118 7.633 1.485 19183 80 1 4 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.325 0.026 19183 81 1 4 . 1 1 13 13 ALA H H 13 7.806 7.806 8.071 -0.265 19183 82 1 4 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.335 -0.336 19183 83 1 4 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.686 -0.656 19183 84 1 4 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.489 -0.200 19183 85 1 5 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.187 0.059 19183 86 1 5 . 1 1 2 2 ALA H H 2 8.311 8.311 8.343 -0.032 19183 87 1 5 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.187 -0.235 19183 88 1 5 . 1 1 3 3 TYR H H 3 8.849 8.849 8.471 0.378 19183 89 1 5 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.198 -0.115 19183 90 1 5 . 1 1 4 4 ALA H H 4 8.311 8.311 8.445 -0.134 19183 91 1 5 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.127 -0.177 19183 92 1 5 . 1 1 5 5 GLN H H 5 8.129 8.129 7.897 0.232 19183 93 1 5 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.165 -0.069 19183 94 1 5 . 1 1 6 6 TRP H H 6 8.033 8.033 8.340 -0.307 19183 95 1 5 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.506 -0.222 19183 96 1 5 . 1 1 7 7 LEU H H 7 8.381 8.381 7.745 0.636 19183 97 1 5 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.145 -0.145 19183 98 1 5 . 1 1 8 8 ALA H H 8 8.161 8.161 7.456 0.705 19183 99 1 5 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.841 -0.245 19183 100 1 5 . 1 1 12 12 TRP H H 12 9.118 9.118 7.632 1.486 19183 101 1 5 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.314 0.037 19183 102 1 5 . 1 1 13 13 ALA H H 13 7.806 7.806 8.075 -0.269 19183 103 1 5 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.317 -0.318 19183 104 1 5 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.667 -0.637 19183 105 1 5 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.465 -0.176 19183 106 1 6 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.564 -0.318 19183 107 1 6 . 1 1 2 2 ALA H H 2 8.311 8.311 8.645 -0.334 19183 108 1 6 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.091 -0.139 19183 109 1 6 . 1 1 3 3 TYR H H 3 8.849 8.849 8.003 0.846 19183 110 1 6 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.037 0.046 19183 111 1 6 . 1 1 4 4 ALA H H 4 8.311 8.311 8.119 0.192 19183 112 1 6 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.110 -0.160 19183 113 1 6 . 1 1 5 5 GLN H H 5 8.129 8.129 8.391 -0.262 19183 114 1 6 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.169 -0.073 19183 115 1 6 . 1 1 6 6 TRP H H 6 8.033 8.033 8.047 -0.014 19183 116 1 6 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.514 -0.230 19183 117 1 6 . 1 1 7 7 LEU H H 7 8.381 8.381 7.849 0.532 19183 118 1 6 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.179 -0.179 19183 119 1 6 . 1 1 8 8 ALA H H 8 8.161 8.161 7.543 0.618 19183 120 1 6 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.834 -0.238 19183 121 1 6 . 1 1 12 12 TRP H H 12 9.118 9.118 7.629 1.489 19183 122 1 6 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.300 0.051 19183 123 1 6 . 1 1 13 13 ALA H H 13 7.806 7.806 8.080 -0.274 19183 124 1 6 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.315 -0.316 19183 125 1 6 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.679 -0.649 19183 126 1 6 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.478 -0.189 19183 127 1 7 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.008 0.238 19183 128 1 7 . 1 1 2 2 ALA H H 2 8.311 8.311 8.291 0.020 19183 129 1 7 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.176 -0.224 19183 130 1 7 . 1 1 3 3 TYR H H 3 8.849 8.849 8.328 0.521 19183 131 1 7 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.125 -0.042 19183 132 1 7 . 1 1 4 4 ALA H H 4 8.311 8.311 8.467 -0.156 19183 133 1 7 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.164 -0.214 19183 134 1 7 . 1 1 5 5 GLN H H 5 8.129 8.129 8.433 -0.304 19183 135 1 7 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.172 -0.076 19183 136 1 7 . 1 1 6 6 TRP H H 6 8.033 8.033 8.171 -0.138 19183 137 1 7 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.495 -0.211 19183 138 1 7 . 1 1 7 7 LEU H H 7 8.381 8.381 7.798 0.583 19183 139 1 7 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.144 -0.144 19183 140 1 7 . 1 1 8 8 ALA H H 8 8.161 8.161 7.460 0.701 19183 141 1 7 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.838 -0.242 19183 142 1 7 . 1 1 12 12 TRP H H 12 9.118 9.118 7.644 1.474 19183 143 1 7 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.282 0.069 19183 144 1 7 . 1 1 13 13 ALA H H 13 7.806 7.806 8.085 -0.279 19183 145 1 7 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.270 -0.271 19183 146 1 7 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.657 -0.627 19183 147 1 7 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.490 -0.201 19183 148 1 8 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.339 -0.093 19183 149 1 8 . 1 1 2 2 ALA H H 2 8.311 8.311 8.324 -0.013 19183 150 1 8 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.260 -0.308 19183 151 1 8 . 1 1 3 3 TYR H H 3 8.849 8.849 8.502 0.347 19183 152 1 8 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.196 -0.113 19183 153 1 8 . 1 1 4 4 ALA H H 4 8.311 8.311 8.592 -0.281 19183 154 1 8 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.149 -0.199 19183 155 1 8 . 1 1 5 5 GLN H H 5 8.129 8.129 8.524 -0.395 19183 156 1 8 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.176 -0.080 19183 157 1 8 . 1 1 6 6 TRP H H 6 8.033 8.033 8.132 -0.099 19183 158 1 8 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.484 -0.200 19183 159 1 8 . 1 1 7 7 LEU H H 7 8.381 8.381 7.811 0.570 19183 160 1 8 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.141 -0.141 19183 161 1 8 . 1 1 8 8 ALA H H 8 8.161 8.161 7.439 0.722 19183 162 1 8 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.844 -0.248 19183 163 1 8 . 1 1 12 12 TRP H H 12 9.118 9.118 7.651 1.467 19183 164 1 8 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.317 0.034 19183 165 1 8 . 1 1 13 13 ALA H H 13 7.806 7.806 8.068 -0.262 19183 166 1 8 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.330 -0.331 19183 167 1 8 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.697 -0.667 19183 168 1 8 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.454 -0.165 19183 169 1 9 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.353 -0.107 19183 170 1 9 . 1 1 2 2 ALA H H 2 8.311 8.311 8.393 -0.082 19183 171 1 9 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.250 -0.298 19183 172 1 9 . 1 1 3 3 TYR H H 3 8.849 8.849 8.485 0.364 19183 173 1 9 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.189 -0.106 19183 174 1 9 . 1 1 4 4 ALA H H 4 8.311 8.311 8.600 -0.289 19183 175 1 9 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.150 -0.200 19183 176 1 9 . 1 1 5 5 GLN H H 5 8.129 8.129 8.444 -0.315 19183 177 1 9 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.171 -0.075 19183 178 1 9 . 1 1 6 6 TRP H H 6 8.033 8.033 8.174 -0.141 19183 179 1 9 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.497 -0.213 19183 180 1 9 . 1 1 7 7 LEU H H 7 8.381 8.381 7.836 0.545 19183 181 1 9 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.172 -0.172 19183 182 1 9 . 1 1 8 8 ALA H H 8 8.161 8.161 7.473 0.688 19183 183 1 9 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.844 -0.248 19183 184 1 9 . 1 1 12 12 TRP H H 12 9.118 9.118 7.634 1.484 19183 185 1 9 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.318 0.033 19183 186 1 9 . 1 1 13 13 ALA H H 13 7.806 7.806 8.071 -0.265 19183 187 1 9 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.310 -0.311 19183 188 1 9 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.694 -0.664 19183 189 1 9 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.470 -0.181 19183 190 1 10 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.688 -0.442 19183 191 1 10 . 1 1 2 2 ALA H H 2 8.311 8.311 8.561 -0.250 19183 192 1 10 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.184 -0.232 19183 193 1 10 . 1 1 3 3 TYR H H 3 8.849 8.849 8.396 0.453 19183 194 1 10 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.122 -0.039 19183 195 1 10 . 1 1 4 4 ALA H H 4 8.311 8.311 8.354 -0.043 19183 196 1 10 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.074 -0.124 19183 197 1 10 . 1 1 5 5 GLN H H 5 8.129 8.129 7.993 0.136 19183 198 1 10 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.170 -0.074 19183 199 1 10 . 1 1 6 6 TRP H H 6 8.033 8.033 7.941 0.092 19183 200 1 10 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.491 -0.207 19183 201 1 10 . 1 1 7 7 LEU H H 7 8.381 8.381 7.848 0.533 19183 202 1 10 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.174 -0.174 19183 203 1 10 . 1 1 8 8 ALA H H 8 8.161 8.161 7.553 0.608 19183 204 1 10 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.843 -0.247 19183 205 1 10 . 1 1 12 12 TRP H H 12 9.118 9.118 7.637 1.481 19183 206 1 10 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.295 0.056 19183 207 1 10 . 1 1 13 13 ALA H H 13 7.806 7.806 8.084 -0.278 19183 208 1 10 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.294 -0.295 19183 209 1 10 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.710 -0.680 19183 210 1 10 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.457 -0.168 19183 211 1 11 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.537 -0.291 19183 212 1 11 . 1 1 2 2 ALA H H 2 8.311 8.311 7.835 0.476 19183 213 1 11 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.250 -0.298 19183 214 1 11 . 1 1 3 3 TYR H H 3 8.849 8.849 8.478 0.371 19183 215 1 11 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.196 -0.113 19183 216 1 11 . 1 1 4 4 ALA H H 4 8.311 8.311 8.591 -0.280 19183 217 1 11 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.167 -0.217 19183 218 1 11 . 1 1 5 5 GLN H H 5 8.129 8.129 8.431 -0.302 19183 219 1 11 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.172 -0.076 19183 220 1 11 . 1 1 6 6 TRP H H 6 8.033 8.033 8.135 -0.102 19183 221 1 11 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.492 -0.208 19183 222 1 11 . 1 1 7 7 LEU H H 7 8.381 8.381 7.808 0.573 19183 223 1 11 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.152 -0.152 19183 224 1 11 . 1 1 8 8 ALA H H 8 8.161 8.161 7.429 0.732 19183 225 1 11 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.841 -0.245 19183 226 1 11 . 1 1 12 12 TRP H H 12 9.118 9.118 7.648 1.470 19183 227 1 11 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.297 0.054 19183 228 1 11 . 1 1 13 13 ALA H H 13 7.806 7.806 8.079 -0.273 19183 229 1 11 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.298 -0.299 19183 230 1 11 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.684 -0.654 19183 231 1 11 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.497 -0.208 19183 232 1 12 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.222 0.024 19183 233 1 12 . 1 1 2 2 ALA H H 2 8.311 8.311 8.307 0.004 19183 234 1 12 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.190 -0.238 19183 235 1 12 . 1 1 3 3 TYR H H 3 8.849 8.849 8.463 0.386 19183 236 1 12 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.195 -0.112 19183 237 1 12 . 1 1 4 4 ALA H H 4 8.311 8.311 8.470 -0.159 19183 238 1 12 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.144 -0.194 19183 239 1 12 . 1 1 5 5 GLN H H 5 8.129 8.129 7.892 0.237 19183 240 1 12 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.167 -0.071 19183 241 1 12 . 1 1 6 6 TRP H H 6 8.033 8.033 8.310 -0.277 19183 242 1 12 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.488 -0.204 19183 243 1 12 . 1 1 7 7 LEU H H 7 8.381 8.381 7.759 0.622 19183 244 1 12 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.175 -0.175 19183 245 1 12 . 1 1 8 8 ALA H H 8 8.161 8.161 7.486 0.675 19183 246 1 12 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.849 -0.253 19183 247 1 12 . 1 1 12 12 TRP H H 12 9.118 9.118 7.648 1.470 19183 248 1 12 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.323 0.028 19183 249 1 12 . 1 1 13 13 ALA H H 13 7.806 7.806 8.076 -0.270 19183 250 1 12 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.327 -0.328 19183 251 1 12 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.690 -0.660 19183 252 1 12 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.480 -0.191 19183 253 1 13 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.429 -0.183 19183 254 1 13 . 1 1 2 2 ALA H H 2 8.311 8.311 8.420 -0.109 19183 255 1 13 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.176 -0.224 19183 256 1 13 . 1 1 3 3 TYR H H 3 8.849 8.849 8.316 0.533 19183 257 1 13 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.071 0.012 19183 258 1 13 . 1 1 4 4 ALA H H 4 8.311 8.311 8.736 -0.425 19183 259 1 13 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.114 -0.164 19183 260 1 13 . 1 1 5 5 GLN H H 5 8.129 8.129 8.036 0.093 19183 261 1 13 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.167 -0.071 19183 262 1 13 . 1 1 6 6 TRP H H 6 8.033 8.033 8.199 -0.166 19183 263 1 13 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.487 -0.203 19183 264 1 13 . 1 1 7 7 LEU H H 7 8.381 8.381 7.818 0.563 19183 265 1 13 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.146 -0.146 19183 266 1 13 . 1 1 8 8 ALA H H 8 8.161 8.161 7.448 0.713 19183 267 1 13 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.846 -0.250 19183 268 1 13 . 1 1 12 12 TRP H H 12 9.118 9.118 7.640 1.478 19183 269 1 13 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.324 0.027 19183 270 1 13 . 1 1 13 13 ALA H H 13 7.806 7.806 8.071 -0.265 19183 271 1 13 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.341 -0.342 19183 272 1 13 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.690 -0.660 19183 273 1 13 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.468 -0.179 19183 274 1 14 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.565 -0.319 19183 275 1 14 . 1 1 2 2 ALA H H 2 8.311 8.311 7.855 0.456 19183 276 1 14 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.266 -0.314 19183 277 1 14 . 1 1 3 3 TYR H H 3 8.849 8.849 8.469 0.380 19183 278 1 14 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.182 -0.099 19183 279 1 14 . 1 1 4 4 ALA H H 4 8.311 8.311 8.599 -0.288 19183 280 1 14 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.164 -0.214 19183 281 1 14 . 1 1 5 5 GLN H H 5 8.129 8.129 8.452 -0.323 19183 282 1 14 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.175 -0.079 19183 283 1 14 . 1 1 6 6 TRP H H 6 8.033 8.033 8.063 -0.030 19183 284 1 14 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.493 -0.209 19183 285 1 14 . 1 1 7 7 LEU H H 7 8.381 8.381 7.858 0.523 19183 286 1 14 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.142 -0.142 19183 287 1 14 . 1 1 8 8 ALA H H 8 8.161 8.161 7.448 0.713 19183 288 1 14 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.921 -0.325 19183 289 1 14 . 1 1 12 12 TRP H H 12 9.118 9.118 7.814 1.304 19183 290 1 14 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.340 0.011 19183 291 1 14 . 1 1 13 13 ALA H H 13 7.806 7.806 8.063 -0.257 19183 292 1 14 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.354 -0.355 19183 293 1 14 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.698 -0.668 19183 294 1 14 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.498 -0.209 19183 295 1 15 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.300 -0.054 19183 296 1 15 . 1 1 2 2 ALA H H 2 8.311 8.311 8.208 0.103 19183 297 1 15 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.270 -0.318 19183 298 1 15 . 1 1 3 3 TYR H H 3 8.849 8.849 8.519 0.330 19183 299 1 15 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.195 -0.112 19183 300 1 15 . 1 1 4 4 ALA H H 4 8.311 8.311 8.595 -0.284 19183 301 1 15 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.168 -0.218 19183 302 1 15 . 1 1 5 5 GLN H H 5 8.129 8.129 8.445 -0.316 19183 303 1 15 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.177 -0.081 19183 304 1 15 . 1 1 6 6 TRP H H 6 8.033 8.033 8.111 -0.078 19183 305 1 15 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.484 -0.200 19183 306 1 15 . 1 1 7 7 LEU H H 7 8.381 8.381 7.822 0.559 19183 307 1 15 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.140 -0.140 19183 308 1 15 . 1 1 8 8 ALA H H 8 8.161 8.161 7.429 0.732 19183 309 1 15 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.845 -0.249 19183 310 1 15 . 1 1 12 12 TRP H H 12 9.118 9.118 7.647 1.471 19183 311 1 15 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.326 0.025 19183 312 1 15 . 1 1 13 13 ALA H H 13 7.806 7.806 8.069 -0.263 19183 313 1 15 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.329 -0.330 19183 314 1 15 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.698 -0.668 19183 315 1 15 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.472 -0.183 19183 316 1 16 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.233 0.013 19183 317 1 16 . 1 1 2 2 ALA H H 2 8.311 8.311 8.618 -0.307 19183 318 1 16 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.141 -0.189 19183 319 1 16 . 1 1 3 3 TYR H H 3 8.849 8.849 8.246 0.603 19183 320 1 16 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.195 -0.112 19183 321 1 16 . 1 1 4 4 ALA H H 4 8.311 8.311 8.508 -0.197 19183 322 1 16 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.123 -0.173 19183 323 1 16 . 1 1 5 5 GLN H H 5 8.129 8.129 7.783 0.346 19183 324 1 16 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.160 -0.064 19183 325 1 16 . 1 1 6 6 TRP H H 6 8.033 8.033 8.333 -0.300 19183 326 1 16 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.501 -0.217 19183 327 1 16 . 1 1 7 7 LEU H H 7 8.381 8.381 7.769 0.612 19183 328 1 16 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.145 -0.145 19183 329 1 16 . 1 1 8 8 ALA H H 8 8.161 8.161 7.446 0.715 19183 330 1 16 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.843 -0.247 19183 331 1 16 . 1 1 12 12 TRP H H 12 9.118 9.118 7.632 1.486 19183 332 1 16 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.327 0.024 19183 333 1 16 . 1 1 13 13 ALA H H 13 7.806 7.806 8.070 -0.264 19183 334 1 16 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.333 -0.334 19183 335 1 16 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.662 -0.632 19183 336 1 16 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.498 -0.209 19183 337 1 17 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.512 -0.266 19183 338 1 17 . 1 1 2 2 ALA H H 2 8.311 8.311 8.612 -0.301 19183 339 1 17 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.087 -0.135 19183 340 1 17 . 1 1 3 3 TYR H H 3 8.849 8.849 7.929 0.920 19183 341 1 17 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.065 0.018 19183 342 1 17 . 1 1 4 4 ALA H H 4 8.311 8.311 8.771 -0.460 19183 343 1 17 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.104 -0.154 19183 344 1 17 . 1 1 5 5 GLN H H 5 8.129 8.129 8.153 -0.024 19183 345 1 17 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.166 -0.070 19183 346 1 17 . 1 1 6 6 TRP H H 6 8.033 8.033 8.120 -0.087 19183 347 1 17 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.508 -0.224 19183 348 1 17 . 1 1 7 7 LEU H H 7 8.381 8.381 7.811 0.570 19183 349 1 17 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.151 -0.151 19183 350 1 17 . 1 1 8 8 ALA H H 8 8.161 8.161 7.490 0.671 19183 351 1 17 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.914 -0.318 19183 352 1 17 . 1 1 12 12 TRP H H 12 9.118 9.118 7.811 1.307 19183 353 1 17 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.316 0.035 19183 354 1 17 . 1 1 13 13 ALA H H 13 7.806 7.806 8.069 -0.263 19183 355 1 17 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.325 -0.326 19183 356 1 17 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.669 -0.639 19183 357 1 17 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.494 -0.205 19183 358 1 18 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.357 -0.111 19183 359 1 18 . 1 1 2 2 ALA H H 2 8.311 8.311 8.005 0.306 19183 360 1 18 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.268 -0.316 19183 361 1 18 . 1 1 3 3 TYR H H 3 8.849 8.849 8.518 0.331 19183 362 1 18 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.192 -0.109 19183 363 1 18 . 1 1 4 4 ALA H H 4 8.311 8.311 8.595 -0.284 19183 364 1 18 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.165 -0.215 19183 365 1 18 . 1 1 5 5 GLN H H 5 8.129 8.129 8.448 -0.319 19183 366 1 18 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.175 -0.079 19183 367 1 18 . 1 1 6 6 TRP H H 6 8.033 8.033 8.133 -0.100 19183 368 1 18 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.497 -0.213 19183 369 1 18 . 1 1 7 7 LEU H H 7 8.381 8.381 7.818 0.563 19183 370 1 18 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.137 -0.137 19183 371 1 18 . 1 1 8 8 ALA H H 8 8.161 8.161 7.457 0.704 19183 372 1 18 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.839 -0.243 19183 373 1 18 . 1 1 12 12 TRP H H 12 9.118 9.118 7.634 1.484 19183 374 1 18 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.304 0.047 19183 375 1 18 . 1 1 13 13 ALA H H 13 7.806 7.806 8.074 -0.268 19183 376 1 18 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.288 -0.289 19183 377 1 18 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.678 -0.648 19183 378 1 18 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.490 -0.201 19183 379 1 19 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.535 -0.289 19183 380 1 19 . 1 1 2 2 ALA H H 2 8.311 8.311 8.231 0.080 19183 381 1 19 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.265 -0.313 19183 382 1 19 . 1 1 3 3 TYR H H 3 8.849 8.849 8.481 0.368 19183 383 1 19 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.186 -0.103 19183 384 1 19 . 1 1 4 4 ALA H H 4 8.311 8.311 8.600 -0.289 19183 385 1 19 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.138 -0.188 19183 386 1 19 . 1 1 5 5 GLN H H 5 8.129 8.129 8.486 -0.357 19183 387 1 19 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.171 -0.075 19183 388 1 19 . 1 1 6 6 TRP H H 6 8.033 8.033 8.091 -0.058 19183 389 1 19 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.495 -0.211 19183 390 1 19 . 1 1 7 7 LEU H H 7 8.381 8.381 7.835 0.546 19183 391 1 19 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.156 -0.156 19183 392 1 19 . 1 1 8 8 ALA H H 8 8.161 8.161 7.468 0.693 19183 393 1 19 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.842 -0.246 19183 394 1 19 . 1 1 12 12 TRP H H 12 9.118 9.118 7.641 1.477 19183 395 1 19 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.310 0.041 19183 396 1 19 . 1 1 13 13 ALA H H 13 7.806 7.806 8.072 -0.266 19183 397 1 19 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.310 -0.311 19183 398 1 19 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.698 -0.668 19183 399 1 19 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.471 -0.182 19183 400 1 20 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.340 -0.094 19183 401 1 20 . 1 1 2 2 ALA H H 2 8.311 8.311 7.942 0.369 19183 402 1 20 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.190 -0.238 19183 403 1 20 . 1 1 3 3 TYR H H 3 8.849 8.849 8.504 0.345 19183 404 1 20 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.201 -0.118 19183 405 1 20 . 1 1 4 4 ALA H H 4 8.311 8.311 8.568 -0.257 19183 406 1 20 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.166 -0.216 19183 407 1 20 . 1 1 5 5 GLN H H 5 8.129 8.129 8.385 -0.256 19183 408 1 20 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.168 -0.072 19183 409 1 20 . 1 1 6 6 TRP H H 6 8.033 8.033 8.340 -0.307 19183 410 1 20 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.506 -0.222 19183 411 1 20 . 1 1 7 7 LEU H H 7 8.381 8.381 7.758 0.623 19183 412 1 20 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.144 -0.144 19183 413 1 20 . 1 1 8 8 ALA H H 8 8.161 8.161 7.466 0.695 19183 414 1 20 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.837 -0.241 19183 415 1 20 . 1 1 12 12 TRP H H 12 9.118 9.118 7.634 1.484 19183 416 1 20 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.321 0.030 19183 417 1 20 . 1 1 13 13 ALA H H 13 7.806 7.806 8.070 -0.264 19183 418 1 20 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.331 -0.332 19183 419 1 20 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.683 -0.653 19183 420 1 20 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.493 -0.204 19183 421 1 21 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.328 -0.082 19183 422 1 21 . 1 1 2 2 ALA H H 2 8.311 8.311 8.275 0.036 19183 423 1 21 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.268 -0.316 19183 424 1 21 . 1 1 3 3 TYR H H 3 8.849 8.849 8.513 0.336 19183 425 1 21 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.186 -0.103 19183 426 1 21 . 1 1 4 4 ALA H H 4 8.311 8.311 8.597 -0.286 19183 427 1 21 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.151 -0.201 19183 428 1 21 . 1 1 5 5 GLN H H 5 8.129 8.129 8.543 -0.414 19183 429 1 21 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.171 -0.075 19183 430 1 21 . 1 1 6 6 TRP H H 6 8.033 8.033 8.150 -0.117 19183 431 1 21 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.495 -0.211 19183 432 1 21 . 1 1 7 7 LEU H H 7 8.381 8.381 7.823 0.558 19183 433 1 21 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.138 -0.138 19183 434 1 21 . 1 1 8 8 ALA H H 8 8.161 8.161 7.432 0.729 19183 435 1 21 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.840 -0.244 19183 436 1 21 . 1 1 12 12 TRP H H 12 9.118 9.118 7.632 1.486 19183 437 1 21 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.312 0.039 19183 438 1 21 . 1 1 13 13 ALA H H 13 7.806 7.806 8.072 -0.266 19183 439 1 21 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.310 -0.311 19183 440 1 21 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.688 -0.658 19183 441 1 21 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.488 -0.199 19183 442 1 22 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.363 -0.117 19183 443 1 22 . 1 1 2 2 ALA H H 2 8.311 8.311 8.323 -0.012 19183 444 1 22 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.175 -0.223 19183 445 1 22 . 1 1 3 3 TYR H H 3 8.849 8.849 8.452 0.397 19183 446 1 22 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.197 -0.114 19183 447 1 22 . 1 1 4 4 ALA H H 4 8.311 8.311 8.512 -0.201 19183 448 1 22 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.111 -0.161 19183 449 1 22 . 1 1 5 5 GLN H H 5 8.129 8.129 7.908 0.221 19183 450 1 22 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.167 -0.071 19183 451 1 22 . 1 1 6 6 TRP H H 6 8.033 8.033 8.259 -0.226 19183 452 1 22 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.507 -0.223 19183 453 1 22 . 1 1 7 7 LEU H H 7 8.381 8.381 7.777 0.604 19183 454 1 22 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.150 -0.150 19183 455 1 22 . 1 1 8 8 ALA H H 8 8.161 8.161 7.498 0.663 19183 456 1 22 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.832 -0.236 19183 457 1 22 . 1 1 12 12 TRP H H 12 9.118 9.118 7.635 1.483 19183 458 1 22 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.297 0.054 19183 459 1 22 . 1 1 13 13 ALA H H 13 7.806 7.806 8.082 -0.276 19183 460 1 22 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.308 -0.309 19183 461 1 22 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.690 -0.660 19183 462 1 22 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.471 -0.182 19183 463 1 23 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.602 -0.356 19183 464 1 23 . 1 1 2 2 ALA H H 2 8.311 8.311 8.653 -0.342 19183 465 1 23 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.060 -0.108 19183 466 1 23 . 1 1 3 3 TYR H H 3 8.849 8.849 8.004 0.845 19183 467 1 23 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.039 0.044 19183 468 1 23 . 1 1 4 4 ALA H H 4 8.311 8.311 8.153 0.158 19183 469 1 23 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.087 -0.137 19183 470 1 23 . 1 1 5 5 GLN H H 5 8.129 8.129 8.183 -0.054 19183 471 1 23 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.174 -0.078 19183 472 1 23 . 1 1 6 6 TRP H H 6 8.033 8.033 7.924 0.109 19183 473 1 23 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.500 -0.216 19183 474 1 23 . 1 1 7 7 LEU H H 7 8.381 8.381 7.857 0.524 19183 475 1 23 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.151 -0.151 19183 476 1 23 . 1 1 8 8 ALA H H 8 8.161 8.161 7.506 0.655 19183 477 1 23 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.845 -0.249 19183 478 1 23 . 1 1 12 12 TRP H H 12 9.118 9.118 7.633 1.485 19183 479 1 23 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.318 0.033 19183 480 1 23 . 1 1 13 13 ALA H H 13 7.806 7.806 8.076 -0.270 19183 481 1 23 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.329 -0.330 19183 482 1 23 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.703 -0.673 19183 483 1 23 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.471 -0.182 19183 484 1 24 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.502 -0.256 19183 485 1 24 . 1 1 2 2 ALA H H 2 8.311 8.311 8.543 -0.232 19183 486 1 24 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.120 -0.168 19183 487 1 24 . 1 1 3 3 TYR H H 3 8.849 8.849 8.277 0.572 19183 488 1 24 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.063 0.020 19183 489 1 24 . 1 1 4 4 ALA H H 4 8.311 8.311 8.938 -0.627 19183 490 1 24 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.101 -0.151 19183 491 1 24 . 1 1 5 5 GLN H H 5 8.129 8.129 8.148 -0.019 19183 492 1 24 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.170 -0.074 19183 493 1 24 . 1 1 6 6 TRP H H 6 8.033 8.033 8.224 -0.191 19183 494 1 24 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.504 -0.220 19183 495 1 24 . 1 1 7 7 LEU H H 7 8.381 8.381 7.799 0.582 19183 496 1 24 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.147 -0.147 19183 497 1 24 . 1 1 8 8 ALA H H 8 8.161 8.161 7.470 0.691 19183 498 1 24 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.842 -0.246 19183 499 1 24 . 1 1 12 12 TRP H H 12 9.118 9.118 7.626 1.492 19183 500 1 24 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.316 0.035 19183 501 1 24 . 1 1 13 13 ALA H H 13 7.806 7.806 8.073 -0.267 19183 502 1 24 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.328 -0.329 19183 503 1 24 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.682 -0.652 19183 504 1 24 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.480 -0.191 19183 505 1 25 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.000 0.246 19183 506 1 25 . 1 1 2 2 ALA H H 2 8.311 8.311 8.250 0.061 19183 507 1 25 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.199 -0.247 19183 508 1 25 . 1 1 3 3 TYR H H 3 8.849 8.849 8.245 0.604 19183 509 1 25 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.108 -0.025 19183 510 1 25 . 1 1 4 4 ALA H H 4 8.311 8.311 8.518 -0.207 19183 511 1 25 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.165 -0.215 19183 512 1 25 . 1 1 5 5 GLN H H 5 8.129 8.129 8.535 -0.406 19183 513 1 25 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.174 -0.078 19183 514 1 25 . 1 1 6 6 TRP H H 6 8.033 8.033 8.061 -0.028 19183 515 1 25 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.483 -0.199 19183 516 1 25 . 1 1 7 7 LEU H H 7 8.381 8.381 7.842 0.539 19183 517 1 25 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.143 -0.143 19183 518 1 25 . 1 1 8 8 ALA H H 8 8.161 8.161 7.446 0.715 19183 519 1 25 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.846 -0.250 19183 520 1 25 . 1 1 12 12 TRP H H 12 9.118 9.118 7.643 1.475 19183 521 1 25 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.323 0.028 19183 522 1 25 . 1 1 13 13 ALA H H 13 7.806 7.806 8.070 -0.264 19183 523 1 25 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.328 -0.329 19183 524 1 25 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.708 -0.678 19183 525 1 25 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.481 -0.192 19183 526 1 26 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.318 -0.072 19183 527 1 26 . 1 1 2 2 ALA H H 2 8.311 8.311 8.099 0.212 19183 528 1 26 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.187 -0.235 19183 529 1 26 . 1 1 3 3 TYR H H 3 8.849 8.849 8.496 0.353 19183 530 1 26 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.147 -0.064 19183 531 1 26 . 1 1 4 4 ALA H H 4 8.311 8.311 8.333 -0.022 19183 532 1 26 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.116 -0.166 19183 533 1 26 . 1 1 5 5 GLN H H 5 8.129 8.129 8.004 0.125 19183 534 1 26 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.169 -0.073 19183 535 1 26 . 1 1 6 6 TRP H H 6 8.033 8.033 8.313 -0.280 19183 536 1 26 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.500 -0.216 19183 537 1 26 . 1 1 7 7 LEU H H 7 8.381 8.381 7.769 0.612 19183 538 1 26 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.148 -0.148 19183 539 1 26 . 1 1 8 8 ALA H H 8 8.161 8.161 7.454 0.707 19183 540 1 26 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.846 -0.250 19183 541 1 26 . 1 1 12 12 TRP H H 12 9.118 9.118 7.640 1.478 19183 542 1 26 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.327 0.024 19183 543 1 26 . 1 1 13 13 ALA H H 13 7.806 7.806 8.076 -0.270 19183 544 1 26 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.344 -0.345 19183 545 1 26 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.694 -0.664 19183 546 1 26 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.474 -0.185 19183 547 1 27 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.291 -0.045 19183 548 1 27 . 1 1 2 2 ALA H H 2 8.311 8.311 8.228 0.083 19183 549 1 27 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.190 -0.238 19183 550 1 27 . 1 1 3 3 TYR H H 3 8.849 8.849 8.472 0.377 19183 551 1 27 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.205 -0.122 19183 552 1 27 . 1 1 4 4 ALA H H 4 8.311 8.311 8.566 -0.255 19183 553 1 27 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.136 -0.186 19183 554 1 27 . 1 1 5 5 GLN H H 5 8.129 8.129 7.681 0.448 19183 555 1 27 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.165 -0.069 19183 556 1 27 . 1 1 6 6 TRP H H 6 8.033 8.033 8.333 -0.300 19183 557 1 27 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.508 -0.224 19183 558 1 27 . 1 1 7 7 LEU H H 7 8.381 8.381 7.781 0.600 19183 559 1 27 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.156 -0.156 19183 560 1 27 . 1 1 8 8 ALA H H 8 8.161 8.161 7.444 0.717 19183 561 1 27 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.843 -0.247 19183 562 1 27 . 1 1 12 12 TRP H H 12 9.118 9.118 7.622 1.496 19183 563 1 27 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.321 0.030 19183 564 1 27 . 1 1 13 13 ALA H H 13 7.806 7.806 8.071 -0.265 19183 565 1 27 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.331 -0.332 19183 566 1 27 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.696 -0.666 19183 567 1 27 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.490 -0.201 19183 568 1 28 . 1 1 2 2 ALA HA H 2 4.246 4.246 4.560 -0.314 19183 569 1 28 . 1 1 2 2 ALA H H 2 8.311 8.311 8.621 -0.310 19183 570 1 28 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.053 -0.101 19183 571 1 28 . 1 1 3 3 TYR H H 3 8.849 8.849 8.002 0.848 19183 572 1 28 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.040 0.043 19183 573 1 28 . 1 1 4 4 ALA H H 4 8.311 8.311 8.315 -0.004 19183 574 1 28 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.087 -0.137 19183 575 1 28 . 1 1 5 5 GLN H H 5 8.129 8.129 8.217 -0.088 19183 576 1 28 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.172 -0.076 19183 577 1 28 . 1 1 6 6 TRP H H 6 8.033 8.033 7.991 0.042 19183 578 1 28 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.501 -0.217 19183 579 1 28 . 1 1 7 7 LEU H H 7 8.381 8.381 7.852 0.529 19183 580 1 28 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.173 -0.173 19183 581 1 28 . 1 1 8 8 ALA H H 8 8.161 8.161 7.544 0.617 19183 582 1 28 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.840 -0.244 19183 583 1 28 . 1 1 12 12 TRP H H 12 9.118 9.118 7.625 1.493 19183 584 1 28 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.321 0.030 19183 585 1 28 . 1 1 13 13 ALA H H 13 7.806 7.806 8.065 -0.259 19183 586 1 28 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.317 -0.318 19183 587 1 28 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.693 -0.663 19183 588 1 28 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.494 -0.205 19183 589 1 29 . 1 1 2 2 ALA HA H 2 4.246 4.246 3.940 0.306 19183 590 1 29 . 1 1 2 2 ALA H H 2 8.311 8.311 8.457 -0.146 19183 591 1 29 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.187 -0.235 19183 592 1 29 . 1 1 3 3 TYR H H 3 8.849 8.849 8.321 0.528 19183 593 1 29 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.102 -0.019 19183 594 1 29 . 1 1 4 4 ALA H H 4 8.311 8.311 8.268 0.043 19183 595 1 29 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.160 -0.210 19183 596 1 29 . 1 1 5 5 GLN H H 5 8.129 8.129 8.514 -0.385 19183 597 1 29 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.167 -0.071 19183 598 1 29 . 1 1 6 6 TRP H H 6 8.033 8.033 8.112 -0.079 19183 599 1 29 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.488 -0.204 19183 600 1 29 . 1 1 7 7 LEU H H 7 8.381 8.381 7.806 0.575 19183 601 1 29 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.146 -0.146 19183 602 1 29 . 1 1 8 8 ALA H H 8 8.161 8.161 7.461 0.700 19183 603 1 29 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.845 -0.249 19183 604 1 29 . 1 1 12 12 TRP H H 12 9.118 9.118 7.640 1.478 19183 605 1 29 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.318 0.033 19183 606 1 29 . 1 1 13 13 ALA H H 13 7.806 7.806 8.074 -0.268 19183 607 1 29 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.323 -0.324 19183 608 1 29 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.689 -0.659 19183 609 1 29 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.480 -0.191 19183 610 1 30 . 1 1 2 2 ALA HA H 2 4.246 4.246 3.952 0.294 19183 611 1 30 . 1 1 2 2 ALA H H 2 8.311 8.311 8.529 -0.218 19183 612 1 30 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.195 -0.243 19183 613 1 30 . 1 1 3 3 TYR H H 3 8.849 8.849 8.266 0.583 19183 614 1 30 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.104 -0.021 19183 615 1 30 . 1 1 4 4 ALA H H 4 8.311 8.311 8.316 -0.005 19183 616 1 30 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.165 -0.215 19183 617 1 30 . 1 1 5 5 GLN H H 5 8.129 8.129 8.537 -0.408 19183 618 1 30 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.178 -0.082 19183 619 1 30 . 1 1 6 6 TRP H H 6 8.033 8.033 8.061 -0.028 19183 620 1 30 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.484 -0.200 19183 621 1 30 . 1 1 7 7 LEU H H 7 8.381 8.381 7.830 0.551 19183 622 1 30 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.163 -0.163 19183 623 1 30 . 1 1 8 8 ALA H H 8 8.161 8.161 7.464 0.697 19183 624 1 30 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.919 -0.323 19183 625 1 30 . 1 1 12 12 TRP H H 12 9.118 9.118 7.819 1.299 19183 626 1 30 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.318 0.033 19183 627 1 30 . 1 1 13 13 ALA H H 13 7.806 7.806 8.067 -0.261 19183 628 1 30 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.316 -0.317 19183 629 1 30 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.696 -0.666 19183 630 1 30 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.468 -0.179 19183 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 19183 2 1 1 "Average Difference" HA 12 0.270 0.208 0.180 19183 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19183 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19183 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19183 6 1 1 "Average Difference" HN 9 0.628 -0.281 0.596 19183 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19183 8 1 2 "Average Difference" HA 12 0.263 0.183 0.197 19183 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19183 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19183 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19183 12 1 2 "Average Difference" HN 9 0.635 -0.362 0.553 19183 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19183 14 1 3 "Average Difference" HA 12 0.260 0.198 0.175 19183 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19183 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19183 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19183 18 1 3 "Average Difference" HN 9 0.634 -0.206 0.636 19183 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19183 20 1 4 "Average Difference" HA 12 0.275 0.168 0.227 19183 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19183 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19183 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19183 24 1 4 "Average Difference" HN 9 0.625 -0.258 0.604 19183 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19183 26 1 5 "Average Difference" HA 12 0.255 0.187 0.181 19183 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19183 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19183 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19183 30 1 5 "Average Difference" HN 9 0.623 -0.299 0.579 19183 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19183 32 1 6 "Average Difference" HA 12 0.267 0.199 0.185 19183 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19183 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19183 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19183 36 1 6 "Average Difference" HN 9 0.657 -0.310 0.615 19183 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19183 38 1 7 "Average Difference" HA 12 0.257 0.162 0.209 19183 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19183 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19183 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19183 42 1 7 "Average Difference" HN 9 0.623 -0.269 0.595 19183 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19183 44 1 8 "Average Difference" HA 12 0.269 0.209 0.176 19183 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19183 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19183 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19183 48 1 8 "Average Difference" HN 9 0.618 -0.228 0.609 19183 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19183 50 1 9 "Average Difference" HA 12 0.268 0.212 0.172 19183 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19183 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19183 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19183 54 1 9 "Average Difference" HN 9 0.613 -0.221 0.607 19183 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19183 56 1 10 "Average Difference" HA 12 0.287 0.219 0.193 19183 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19183 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19183 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19183 60 1 10 "Average Difference" HN 9 0.598 -0.304 0.547 19183 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19183 62 1 11 "Average Difference" HA 12 0.278 0.226 0.170 19183 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19183 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19183 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19183 66 1 11 "Average Difference" HN 9 0.636 -0.296 0.597 19183 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19183 68 1 12 "Average Difference" HA 12 0.263 0.198 0.181 19183 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19183 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19183 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19183 72 1 12 "Average Difference" HN 9 0.613 -0.299 0.568 19183 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19183 74 1 13 "Average Difference" HA 12 0.262 0.199 0.179 19183 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19183 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19183 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19183 78 1 13 "Average Difference" HN 9 0.632 -0.268 0.607 19183 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19183 80 1 14 "Average Difference" HA 12 0.295 0.243 0.175 19183 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19183 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19183 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19183 84 1 14 "Average Difference" HN 9 0.586 -0.275 0.549 19183 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19183 86 1 15 "Average Difference" HA 12 0.271 0.211 0.178 19183 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19183 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19183 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19183 90 1 15 "Average Difference" HN 9 0.613 -0.250 0.594 19183 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19183 92 1 16 "Average Difference" HA 12 0.253 0.190 0.174 19183 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19183 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19183 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19183 96 1 16 "Average Difference" HN 9 0.656 -0.299 0.619 19183 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19183 98 1 17 "Average Difference" HA 12 0.266 0.203 0.180 19183 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19183 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19183 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19183 102 1 17 "Average Difference" HN 9 0.642 -0.259 0.623 19183 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19183 104 1 18 "Average Difference" HA 12 0.265 0.209 0.170 19183 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19183 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19183 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19183 108 1 18 "Average Difference" HN 9 0.622 -0.269 0.595 19183 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19183 110 1 19 "Average Difference" HA 12 0.280 0.225 0.174 19183 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19183 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19183 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19183 114 1 19 "Average Difference" HN 9 0.613 -0.244 0.597 19183 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19183 116 1 20 "Average Difference" HA 12 0.264 0.209 0.170 19183 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19183 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19183 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19183 120 1 20 "Average Difference" HN 9 0.635 -0.270 0.609 19183 121 1 21 "Average Difference" N 0 0.000 0.000 0.000 19183 122 1 21 "Average Difference" HA 12 0.267 0.208 0.175 19183 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19183 124 1 21 "Average Difference" CA 0 0.000 0.000 0.000 19183 125 1 21 "Average Difference" CB 0 0.000 0.000 0.000 19183 126 1 21 "Average Difference" HN 9 0.624 -0.229 0.616 19183 127 1 22 "Average Difference" N 0 0.000 0.000 0.000 19183 128 1 22 "Average Difference" HA 12 0.259 0.199 0.172 19183 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19183 130 1 22 "Average Difference" CA 0 0.000 0.000 0.000 19183 131 1 22 "Average Difference" CB 0 0.000 0.000 0.000 19183 132 1 22 "Average Difference" HN 9 0.613 -0.295 0.570 19183 133 1 23 "Average Difference" N 0 0.000 0.000 0.000 19183 134 1 23 "Average Difference" HA 12 0.273 0.200 0.193 19183 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19183 136 1 23 "Average Difference" CA 0 0.000 0.000 0.000 19183 137 1 23 "Average Difference" CB 0 0.000 0.000 0.000 19183 138 1 23 "Average Difference" HN 9 0.654 -0.346 0.589 19183 139 1 24 "Average Difference" N 0 0.000 0.000 0.000 19183 140 1 24 "Average Difference" HA 12 0.262 0.198 0.179 19183 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19183 142 1 24 "Average Difference" CA 0 0.000 0.000 0.000 19183 143 1 24 "Average Difference" CB 0 0.000 0.000 0.000 19183 144 1 24 "Average Difference" HN 9 0.660 -0.222 0.660 19183 145 1 25 "Average Difference" N 0 0.000 0.000 0.000 19183 146 1 25 "Average Difference" HA 12 0.274 0.174 0.222 19183 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19183 148 1 25 "Average Difference" CA 0 0.000 0.000 0.000 19183 149 1 25 "Average Difference" CB 0 0.000 0.000 0.000 19183 150 1 25 "Average Difference" HN 9 0.635 -0.277 0.606 19183 151 1 26 "Average Difference" N 0 0.000 0.000 0.000 19183 152 1 26 "Average Difference" HA 12 0.262 0.200 0.177 19183 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19183 154 1 26 "Average Difference" CA 0 0.000 0.000 0.000 19183 155 1 26 "Average Difference" CB 0 0.000 0.000 0.000 19183 156 1 26 "Average Difference" HN 9 0.614 -0.324 0.554 19183 157 1 27 "Average Difference" N 0 0.000 0.000 0.000 19183 158 1 27 "Average Difference" HA 12 0.265 0.204 0.176 19183 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 19183 160 1 27 "Average Difference" CA 0 0.000 0.000 0.000 19183 161 1 27 "Average Difference" CB 0 0.000 0.000 0.000 19183 162 1 27 "Average Difference" HN 9 0.640 -0.322 0.587 19183 163 1 28 "Average Difference" N 0 0.000 0.000 0.000 19183 164 1 28 "Average Difference" HA 12 0.267 0.198 0.187 19183 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 19183 166 1 28 "Average Difference" CA 0 0.000 0.000 0.000 19183 167 1 28 "Average Difference" CB 0 0.000 0.000 0.000 19183 168 1 28 "Average Difference" HN 9 0.648 -0.319 0.599 19183 169 1 29 "Average Difference" N 0 0.000 0.000 0.000 19183 170 1 29 "Average Difference" HA 12 0.274 0.164 0.229 19183 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 19183 172 1 29 "Average Difference" CA 0 0.000 0.000 0.000 19183 173 1 29 "Average Difference" CB 0 0.000 0.000 0.000 19183 174 1 29 "Average Difference" HN 9 0.626 -0.272 0.599 19183 175 1 30 "Average Difference" N 0 0.000 0.000 0.000 19183 176 1 30 "Average Difference" HA 12 0.281 0.174 0.231 19183 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 19183 178 1 30 "Average Difference" CA 0 0.000 0.000 0.000 19183 179 1 30 "Average Difference" CB 0 0.000 0.000 0.000 19183 180 1 30 "Average Difference" HN 9 0.587 -0.246 0.565 19183 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 19183 _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 ALA HA H 2 4.246 4.246 4.346 -0.100 19183 2 1 . 1 1 2 2 ALA H H 2 8.311 8.311 8.332 -0.021 19183 3 1 . 1 1 3 3 TYR HA H 3 3.952 3.952 4.183 -0.231 19183 4 1 . 1 1 3 3 TYR H H 3 8.849 8.849 8.348 0.502 19183 5 1 . 1 1 4 4 ALA HA H 4 4.083 4.083 4.134 -0.051 19183 6 1 . 1 1 4 4 ALA H H 4 8.311 8.311 8.500 -0.189 19183 7 1 . 1 1 5 5 GLN HA H 5 3.950 3.950 4.136 -0.186 19183 8 1 . 1 1 5 5 GLN H H 5 8.129 8.129 8.264 -0.135 19183 9 1 . 1 1 6 6 TRP HA H 6 4.096 4.096 4.170 -0.074 19183 10 1 . 1 1 6 6 TRP H H 6 8.033 8.033 8.146 -0.113 19183 11 1 . 1 1 7 7 LEU HA H 7 3.284 3.284 3.495 -0.211 19183 12 1 . 1 1 7 7 LEU H H 7 8.381 8.381 7.815 0.566 19183 13 1 . 1 1 8 8 ALA HA H 8 4.000 4.000 4.152 -0.152 19183 14 1 . 1 1 8 8 ALA H H 8 8.161 8.161 7.470 0.691 19183 15 1 . 1 1 12 12 TRP HA H 12 4.596 4.596 4.850 -0.254 19183 16 1 . 1 1 12 12 TRP H H 12 9.118 9.118 7.655 1.463 19183 17 1 . 1 1 13 13 ALA HA H 13 4.351 4.351 4.316 0.035 19183 18 1 . 1 1 13 13 ALA H H 13 7.806 7.806 8.073 -0.267 19183 19 1 . 1 1 17 17 PRO HA H 17 3.999 3.999 4.321 -0.322 19183 20 1 . 1 1 18 18 PRO HA H 18 2.030 2.030 2.689 -0.659 19183 21 1 . 1 1 19 19 PRO HA H 19 4.289 4.289 4.476 -0.187 19183 stop_ save_