data_18830 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18830 _Entry.PDB_ID 2M0W 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 18830 _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 PHE HA H 2 4.470 4.470 4.235 0.235 18830 2 1 1 . 1 1 2 2 PHE H H 2 8.129 8.129 8.055 0.074 18830 3 1 1 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.619 0.408 18830 4 1 1 . 1 1 3 3 LEU H H 3 7.971 7.971 8.206 -0.235 18830 5 1 1 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.382 0.107 18830 6 1 1 . 1 1 4 4 ASN H H 4 8.059 8.059 8.312 -0.253 18830 7 1 1 . 1 1 5 5 SER HA H 5 4.355 4.355 4.146 0.209 18830 8 1 1 . 1 1 5 5 SER H H 5 8.178 8.178 7.851 0.327 18830 9 1 1 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.023 0.137 18830 10 1 1 . 1 1 6 6 ALA H H 6 8.405 8.405 7.190 1.215 18830 11 1 1 . 1 1 7 7 MET HA H 7 4.240 4.240 4.258 -0.018 18830 12 1 1 . 1 1 7 7 MET H H 7 8.379 8.379 7.532 0.847 18830 13 1 1 . 1 1 8 8 SER HA H 8 4.356 4.356 4.124 0.232 18830 14 1 1 . 1 1 8 8 SER H H 8 8.060 8.060 8.245 -0.185 18830 15 1 1 . 1 1 9 9 SER HA H 9 4.441 4.441 4.262 0.179 18830 16 1 1 . 1 1 9 9 SER H H 9 8.104 8.104 7.957 0.147 18830 17 1 1 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.410 -0.175 18830 18 1 1 . 1 1 10 10 LEU H H 10 8.259 8.259 7.896 0.363 18830 19 1 1 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.705 -0.290 18830 20 1 1 . 1 1 11 11 TYR H H 11 8.404 8.404 9.113 -0.709 18830 21 1 1 . 1 1 12 12 SER HA H 12 4.305 4.305 4.453 -0.148 18830 22 1 1 . 1 1 12 12 SER H H 12 8.334 8.334 7.917 0.417 18830 23 1 1 . 1 1 13 13 GLY H H 13 8.270 8.270 7.538 0.732 18830 24 1 1 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.740 -0.209 18830 25 1 1 . 1 1 14 14 TRP H H 14 8.538 8.538 7.676 0.862 18830 26 1 1 . 1 1 15 15 SER HA H 15 4.021 4.021 3.608 0.413 18830 27 1 1 . 1 1 15 15 SER H H 15 8.295 8.295 6.119 2.176 18830 28 1 1 . 1 1 16 16 SER HA H 16 4.297 4.297 4.154 0.143 18830 29 1 1 . 1 1 16 16 SER H H 16 7.974 7.974 8.199 -0.225 18830 30 1 1 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.589 -0.090 18830 31 1 1 . 1 1 17 17 PHE H H 17 8.081 8.081 7.950 0.131 18830 32 1 1 . 1 1 18 18 THR HA H 18 4.059 4.059 3.921 0.138 18830 33 1 1 . 1 1 18 18 THR H H 18 7.887 7.887 8.494 -0.607 18830 34 1 1 . 1 1 19 19 THR HA H 19 4.323 4.323 3.907 0.416 18830 35 1 1 . 1 1 19 19 THR H H 19 7.743 7.743 8.062 -0.319 18830 36 1 1 . 1 1 20 20 GLY H H 20 8.031 8.031 8.471 -0.440 18830 37 1 1 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.333 0.008 18830 38 1 1 . 1 1 21 21 ALA H H 21 7.932 7.932 7.738 0.194 18830 39 1 1 . 1 1 22 22 SER HA H 22 4.446 4.446 4.298 0.148 18830 40 1 1 . 1 1 22 22 SER H H 22 8.111 8.111 8.196 -0.085 18830 41 1 2 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.220 0.250 18830 42 1 2 . 1 1 2 2 PHE H H 2 8.129 8.129 8.082 0.047 18830 43 1 2 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.645 0.382 18830 44 1 2 . 1 1 3 3 LEU H H 3 7.971 7.971 8.268 -0.297 18830 45 1 2 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.319 0.170 18830 46 1 2 . 1 1 4 4 ASN H H 4 8.059 8.059 8.217 -0.158 18830 47 1 2 . 1 1 5 5 SER HA H 5 4.355 4.355 4.173 0.182 18830 48 1 2 . 1 1 5 5 SER H H 5 8.178 8.178 8.063 0.115 18830 49 1 2 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.006 0.154 18830 50 1 2 . 1 1 6 6 ALA H H 6 8.405 8.405 7.910 0.495 18830 51 1 2 . 1 1 7 7 MET HA H 7 4.240 4.240 4.350 -0.110 18830 52 1 2 . 1 1 7 7 MET H H 7 8.379 8.379 7.530 0.849 18830 53 1 2 . 1 1 8 8 SER HA H 8 4.356 4.356 4.064 0.292 18830 54 1 2 . 1 1 8 8 SER H H 8 8.060 8.060 8.745 -0.685 18830 55 1 2 . 1 1 9 9 SER HA H 9 4.441 4.441 4.290 0.151 18830 56 1 2 . 1 1 9 9 SER H H 9 8.104 8.104 7.646 0.458 18830 57 1 2 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.321 -0.086 18830 58 1 2 . 1 1 10 10 LEU H H 10 8.259 8.259 8.423 -0.164 18830 59 1 2 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.660 -0.245 18830 60 1 2 . 1 1 11 11 TYR H H 11 8.404 8.404 8.403 0.001 18830 61 1 2 . 1 1 12 12 SER HA H 12 4.305 4.305 4.256 0.049 18830 62 1 2 . 1 1 12 12 SER H H 12 8.334 8.334 8.004 0.330 18830 63 1 2 . 1 1 13 13 GLY H H 13 8.270 8.270 8.127 0.143 18830 64 1 2 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.793 -0.262 18830 65 1 2 . 1 1 14 14 TRP H H 14 8.538 8.538 7.431 1.107 18830 66 1 2 . 1 1 15 15 SER HA H 15 4.021 4.021 3.954 0.067 18830 67 1 2 . 1 1 15 15 SER H H 15 8.295 8.295 6.527 1.768 18830 68 1 2 . 1 1 16 16 SER HA H 16 4.297 4.297 4.204 0.093 18830 69 1 2 . 1 1 16 16 SER H H 16 7.974 7.974 8.117 -0.143 18830 70 1 2 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.643 -0.144 18830 71 1 2 . 1 1 17 17 PHE H H 17 8.081 8.081 8.006 0.075 18830 72 1 2 . 1 1 18 18 THR HA H 18 4.059 4.059 3.768 0.291 18830 73 1 2 . 1 1 18 18 THR H H 18 7.887 7.887 8.460 -0.573 18830 74 1 2 . 1 1 19 19 THR HA H 19 4.323 4.323 4.063 0.260 18830 75 1 2 . 1 1 19 19 THR H H 19 7.743 7.743 7.997 -0.254 18830 76 1 2 . 1 1 20 20 GLY H H 20 8.031 8.031 8.602 -0.571 18830 77 1 2 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.116 0.225 18830 78 1 2 . 1 1 21 21 ALA H H 21 7.932 7.932 7.439 0.493 18830 79 1 2 . 1 1 22 22 SER HA H 22 4.446 4.446 4.241 0.205 18830 80 1 2 . 1 1 22 22 SER H H 22 8.111 8.111 7.978 0.133 18830 81 1 3 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.204 0.266 18830 82 1 3 . 1 1 2 2 PHE H H 2 8.129 8.129 8.070 0.059 18830 83 1 3 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.756 0.271 18830 84 1 3 . 1 1 3 3 LEU H H 3 7.971 7.971 8.287 -0.316 18830 85 1 3 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.420 0.069 18830 86 1 3 . 1 1 4 4 ASN H H 4 8.059 8.059 8.373 -0.314 18830 87 1 3 . 1 1 5 5 SER HA H 5 4.355 4.355 4.162 0.193 18830 88 1 3 . 1 1 5 5 SER H H 5 8.178 8.178 7.971 0.207 18830 89 1 3 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.886 0.274 18830 90 1 3 . 1 1 6 6 ALA H H 6 8.405 8.405 7.644 0.761 18830 91 1 3 . 1 1 7 7 MET HA H 7 4.240 4.240 4.126 0.114 18830 92 1 3 . 1 1 7 7 MET H H 7 8.379 8.379 7.571 0.808 18830 93 1 3 . 1 1 8 8 SER HA H 8 4.356 4.356 4.032 0.324 18830 94 1 3 . 1 1 8 8 SER H H 8 8.060 8.060 8.152 -0.092 18830 95 1 3 . 1 1 9 9 SER HA H 9 4.441 4.441 4.123 0.318 18830 96 1 3 . 1 1 9 9 SER H H 9 8.104 8.104 7.845 0.259 18830 97 1 3 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.288 -0.053 18830 98 1 3 . 1 1 10 10 LEU H H 10 8.259 8.259 8.288 -0.029 18830 99 1 3 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.499 -0.084 18830 100 1 3 . 1 1 11 11 TYR H H 11 8.404 8.404 8.739 -0.335 18830 101 1 3 . 1 1 12 12 SER HA H 12 4.305 4.305 4.207 0.098 18830 102 1 3 . 1 1 12 12 SER H H 12 8.334 8.334 8.594 -0.260 18830 103 1 3 . 1 1 13 13 GLY H H 13 8.270 8.270 7.881 0.389 18830 104 1 3 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.976 -0.445 18830 105 1 3 . 1 1 14 14 TRP H H 14 8.538 8.538 7.440 1.098 18830 106 1 3 . 1 1 15 15 SER HA H 15 4.021 4.021 3.898 0.123 18830 107 1 3 . 1 1 15 15 SER H H 15 8.295 8.295 6.676 1.619 18830 108 1 3 . 1 1 16 16 SER HA H 16 4.297 4.297 4.154 0.143 18830 109 1 3 . 1 1 16 16 SER H H 16 7.974 7.974 7.885 0.089 18830 110 1 3 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.598 -0.099 18830 111 1 3 . 1 1 17 17 PHE H H 17 8.081 8.081 7.905 0.176 18830 112 1 3 . 1 1 18 18 THR HA H 18 4.059 4.059 4.088 -0.029 18830 113 1 3 . 1 1 18 18 THR H H 18 7.887 7.887 8.519 -0.632 18830 114 1 3 . 1 1 19 19 THR HA H 19 4.323 4.323 3.919 0.404 18830 115 1 3 . 1 1 19 19 THR H H 19 7.743 7.743 7.904 -0.161 18830 116 1 3 . 1 1 20 20 GLY H H 20 8.031 8.031 8.252 -0.221 18830 117 1 3 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.094 0.247 18830 118 1 3 . 1 1 21 21 ALA H H 21 7.932 7.932 7.665 0.267 18830 119 1 3 . 1 1 22 22 SER HA H 22 4.446 4.446 4.293 0.153 18830 120 1 3 . 1 1 22 22 SER H H 22 8.111 8.111 7.807 0.304 18830 121 1 4 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.227 0.243 18830 122 1 4 . 1 1 2 2 PHE H H 2 8.129 8.129 8.056 0.073 18830 123 1 4 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.735 0.292 18830 124 1 4 . 1 1 3 3 LEU H H 3 7.971 7.971 8.221 -0.250 18830 125 1 4 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.361 0.128 18830 126 1 4 . 1 1 4 4 ASN H H 4 8.059 8.059 8.425 -0.366 18830 127 1 4 . 1 1 5 5 SER HA H 5 4.355 4.355 4.171 0.184 18830 128 1 4 . 1 1 5 5 SER H H 5 8.178 8.178 7.824 0.354 18830 129 1 4 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.918 0.242 18830 130 1 4 . 1 1 6 6 ALA H H 6 8.405 8.405 7.334 1.071 18830 131 1 4 . 1 1 7 7 MET HA H 7 4.240 4.240 4.366 -0.126 18830 132 1 4 . 1 1 7 7 MET H H 7 8.379 8.379 7.483 0.896 18830 133 1 4 . 1 1 8 8 SER HA H 8 4.356 4.356 4.165 0.191 18830 134 1 4 . 1 1 8 8 SER H H 8 8.060 8.060 8.764 -0.704 18830 135 1 4 . 1 1 9 9 SER HA H 9 4.441 4.441 4.321 0.120 18830 136 1 4 . 1 1 9 9 SER H H 9 8.104 8.104 8.147 -0.043 18830 137 1 4 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.398 -0.163 18830 138 1 4 . 1 1 10 10 LEU H H 10 8.259 8.259 8.150 0.109 18830 139 1 4 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.855 -0.440 18830 140 1 4 . 1 1 11 11 TYR H H 11 8.404 8.404 9.276 -0.872 18830 141 1 4 . 1 1 12 12 SER HA H 12 4.305 4.305 4.250 0.055 18830 142 1 4 . 1 1 12 12 SER H H 12 8.334 8.334 7.754 0.580 18830 143 1 4 . 1 1 13 13 GLY H H 13 8.270 8.270 8.294 -0.024 18830 144 1 4 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.726 -0.195 18830 145 1 4 . 1 1 14 14 TRP H H 14 8.538 8.538 7.389 1.149 18830 146 1 4 . 1 1 15 15 SER HA H 15 4.021 4.021 3.946 0.075 18830 147 1 4 . 1 1 15 15 SER H H 15 8.295 8.295 6.617 1.678 18830 148 1 4 . 1 1 16 16 SER HA H 16 4.297 4.297 4.115 0.182 18830 149 1 4 . 1 1 16 16 SER H H 16 7.974 7.974 7.838 0.136 18830 150 1 4 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.702 -0.203 18830 151 1 4 . 1 1 17 17 PHE H H 17 8.081 8.081 7.864 0.217 18830 152 1 4 . 1 1 18 18 THR HA H 18 4.059 4.059 3.888 0.171 18830 153 1 4 . 1 1 18 18 THR H H 18 7.887 7.887 8.007 -0.120 18830 154 1 4 . 1 1 19 19 THR HA H 19 4.323 4.323 3.984 0.339 18830 155 1 4 . 1 1 19 19 THR H H 19 7.743 7.743 8.040 -0.297 18830 156 1 4 . 1 1 20 20 GLY H H 20 8.031 8.031 8.283 -0.252 18830 157 1 4 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.147 0.194 18830 158 1 4 . 1 1 21 21 ALA H H 21 7.932 7.932 7.542 0.390 18830 159 1 4 . 1 1 22 22 SER HA H 22 4.446 4.446 4.232 0.214 18830 160 1 4 . 1 1 22 22 SER H H 22 8.111 8.111 7.747 0.364 18830 161 1 5 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.239 0.231 18830 162 1 5 . 1 1 2 2 PHE H H 2 8.129 8.129 8.015 0.114 18830 163 1 5 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.673 0.354 18830 164 1 5 . 1 1 3 3 LEU H H 3 7.971 7.971 8.245 -0.274 18830 165 1 5 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.371 0.118 18830 166 1 5 . 1 1 4 4 ASN H H 4 8.059 8.059 8.013 0.046 18830 167 1 5 . 1 1 5 5 SER HA H 5 4.355 4.355 4.211 0.144 18830 168 1 5 . 1 1 5 5 SER H H 5 8.178 8.178 8.078 0.100 18830 169 1 5 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.882 0.278 18830 170 1 5 . 1 1 6 6 ALA H H 6 8.405 8.405 7.313 1.092 18830 171 1 5 . 1 1 7 7 MET HA H 7 4.240 4.240 4.197 0.043 18830 172 1 5 . 1 1 7 7 MET H H 7 8.379 8.379 7.708 0.671 18830 173 1 5 . 1 1 8 8 SER HA H 8 4.356 4.356 4.128 0.228 18830 174 1 5 . 1 1 8 8 SER H H 8 8.060 8.060 8.172 -0.112 18830 175 1 5 . 1 1 9 9 SER HA H 9 4.441 4.441 4.230 0.211 18830 176 1 5 . 1 1 9 9 SER H H 9 8.104 8.104 8.210 -0.106 18830 177 1 5 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.203 0.032 18830 178 1 5 . 1 1 10 10 LEU H H 10 8.259 8.259 7.878 0.381 18830 179 1 5 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.535 -0.120 18830 180 1 5 . 1 1 11 11 TYR H H 11 8.404 8.404 8.924 -0.520 18830 181 1 5 . 1 1 12 12 SER HA H 12 4.305 4.305 4.446 -0.141 18830 182 1 5 . 1 1 12 12 SER H H 12 8.334 8.334 8.492 -0.158 18830 183 1 5 . 1 1 13 13 GLY H H 13 8.270 8.270 7.549 0.721 18830 184 1 5 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.640 -0.109 18830 185 1 5 . 1 1 14 14 TRP H H 14 8.538 8.538 7.666 0.872 18830 186 1 5 . 1 1 15 15 SER HA H 15 4.021 4.021 3.788 0.233 18830 187 1 5 . 1 1 15 15 SER H H 15 8.295 8.295 6.277 2.018 18830 188 1 5 . 1 1 16 16 SER HA H 16 4.297 4.297 4.120 0.177 18830 189 1 5 . 1 1 16 16 SER H H 16 7.974 7.974 7.798 0.176 18830 190 1 5 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.770 -0.271 18830 191 1 5 . 1 1 17 17 PHE H H 17 8.081 8.081 7.827 0.254 18830 192 1 5 . 1 1 18 18 THR HA H 18 4.059 4.059 3.894 0.165 18830 193 1 5 . 1 1 18 18 THR H H 18 7.887 7.887 8.314 -0.427 18830 194 1 5 . 1 1 19 19 THR HA H 19 4.323 4.323 3.871 0.452 18830 195 1 5 . 1 1 19 19 THR H H 19 7.743 7.743 8.090 -0.347 18830 196 1 5 . 1 1 20 20 GLY H H 20 8.031 8.031 8.054 -0.023 18830 197 1 5 . 1 1 21 21 ALA HA H 21 4.341 4.341 3.998 0.343 18830 198 1 5 . 1 1 21 21 ALA H H 21 7.932 7.932 8.057 -0.125 18830 199 1 5 . 1 1 22 22 SER HA H 22 4.446 4.446 4.341 0.105 18830 200 1 5 . 1 1 22 22 SER H H 22 8.111 8.111 7.649 0.462 18830 201 1 6 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.201 0.269 18830 202 1 6 . 1 1 2 2 PHE H H 2 8.129 8.129 8.016 0.113 18830 203 1 6 . 1 1 3 3 LEU HA H 3 4.027 4.027 4.109 -0.082 18830 204 1 6 . 1 1 3 3 LEU H H 3 7.971 7.971 8.471 -0.500 18830 205 1 6 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.482 0.007 18830 206 1 6 . 1 1 4 4 ASN H H 4 8.059 8.059 8.268 -0.209 18830 207 1 6 . 1 1 5 5 SER HA H 5 4.355 4.355 4.149 0.206 18830 208 1 6 . 1 1 5 5 SER H H 5 8.178 8.178 7.775 0.403 18830 209 1 6 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.909 0.251 18830 210 1 6 . 1 1 6 6 ALA H H 6 8.405 8.405 7.603 0.802 18830 211 1 6 . 1 1 7 7 MET HA H 7 4.240 4.240 4.325 -0.085 18830 212 1 6 . 1 1 7 7 MET H H 7 8.379 8.379 7.568 0.811 18830 213 1 6 . 1 1 8 8 SER HA H 8 4.356 4.356 4.047 0.309 18830 214 1 6 . 1 1 8 8 SER H H 8 8.060 8.060 8.328 -0.268 18830 215 1 6 . 1 1 9 9 SER HA H 9 4.441 4.441 4.181 0.260 18830 216 1 6 . 1 1 9 9 SER H H 9 8.104 8.104 7.698 0.406 18830 217 1 6 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.189 0.046 18830 218 1 6 . 1 1 10 10 LEU H H 10 8.259 8.259 8.313 -0.054 18830 219 1 6 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.698 -0.283 18830 220 1 6 . 1 1 11 11 TYR H H 11 8.404 8.404 8.762 -0.358 18830 221 1 6 . 1 1 12 12 SER HA H 12 4.305 4.305 4.571 -0.266 18830 222 1 6 . 1 1 12 12 SER H H 12 8.334 8.334 8.606 -0.272 18830 223 1 6 . 1 1 13 13 GLY H H 13 8.270 8.270 8.303 -0.033 18830 224 1 6 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.763 -0.232 18830 225 1 6 . 1 1 14 14 TRP H H 14 8.538 8.538 8.560 -0.022 18830 226 1 6 . 1 1 15 15 SER HA H 15 4.021 4.021 3.929 0.092 18830 227 1 6 . 1 1 15 15 SER H H 15 8.295 8.295 6.679 1.616 18830 228 1 6 . 1 1 16 16 SER HA H 16 4.297 4.297 4.200 0.097 18830 229 1 6 . 1 1 16 16 SER H H 16 7.974 7.974 8.224 -0.250 18830 230 1 6 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.776 -0.277 18830 231 1 6 . 1 1 17 17 PHE H H 17 8.081 8.081 7.959 0.122 18830 232 1 6 . 1 1 18 18 THR HA H 18 4.059 4.059 3.805 0.254 18830 233 1 6 . 1 1 18 18 THR H H 18 7.887 7.887 7.825 0.062 18830 234 1 6 . 1 1 19 19 THR HA H 19 4.323 4.323 3.916 0.407 18830 235 1 6 . 1 1 19 19 THR H H 19 7.743 7.743 7.961 -0.218 18830 236 1 6 . 1 1 20 20 GLY H H 20 8.031 8.031 8.264 -0.233 18830 237 1 6 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.108 0.233 18830 238 1 6 . 1 1 21 21 ALA H H 21 7.932 7.932 7.339 0.593 18830 239 1 6 . 1 1 22 22 SER HA H 22 4.446 4.446 4.241 0.205 18830 240 1 6 . 1 1 22 22 SER H H 22 8.111 8.111 8.290 -0.179 18830 241 1 7 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.221 0.249 18830 242 1 7 . 1 1 2 2 PHE H H 2 8.129 8.129 8.052 0.077 18830 243 1 7 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.647 0.381 18830 244 1 7 . 1 1 3 3 LEU H H 3 7.971 7.971 8.232 -0.261 18830 245 1 7 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.397 0.092 18830 246 1 7 . 1 1 4 4 ASN H H 4 8.059 8.059 8.118 -0.059 18830 247 1 7 . 1 1 5 5 SER HA H 5 4.355 4.355 4.228 0.127 18830 248 1 7 . 1 1 5 5 SER H H 5 8.178 8.178 7.829 0.349 18830 249 1 7 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.906 0.254 18830 250 1 7 . 1 1 6 6 ALA H H 6 8.405 8.405 7.597 0.808 18830 251 1 7 . 1 1 7 7 MET HA H 7 4.240 4.240 4.168 0.072 18830 252 1 7 . 1 1 7 7 MET H H 7 8.379 8.379 7.517 0.862 18830 253 1 7 . 1 1 8 8 SER HA H 8 4.356 4.356 4.055 0.301 18830 254 1 7 . 1 1 8 8 SER H H 8 8.060 8.060 7.927 0.133 18830 255 1 7 . 1 1 9 9 SER HA H 9 4.441 4.441 4.205 0.236 18830 256 1 7 . 1 1 9 9 SER H H 9 8.104 8.104 7.780 0.324 18830 257 1 7 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.259 -0.024 18830 258 1 7 . 1 1 10 10 LEU H H 10 8.259 8.259 7.921 0.338 18830 259 1 7 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.737 -0.322 18830 260 1 7 . 1 1 11 11 TYR H H 11 8.404 8.404 8.986 -0.582 18830 261 1 7 . 1 1 12 12 SER HA H 12 4.305 4.305 4.376 -0.071 18830 262 1 7 . 1 1 12 12 SER H H 12 8.334 8.334 8.535 -0.201 18830 263 1 7 . 1 1 13 13 GLY H H 13 8.270 8.270 7.741 0.529 18830 264 1 7 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.721 -0.190 18830 265 1 7 . 1 1 14 14 TRP H H 14 8.538 8.538 7.809 0.729 18830 266 1 7 . 1 1 15 15 SER HA H 15 4.021 4.021 3.870 0.151 18830 267 1 7 . 1 1 15 15 SER H H 15 8.295 8.295 6.545 1.750 18830 268 1 7 . 1 1 16 16 SER HA H 16 4.297 4.297 4.228 0.069 18830 269 1 7 . 1 1 16 16 SER H H 16 7.974 7.974 8.003 -0.029 18830 270 1 7 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.830 -0.331 18830 271 1 7 . 1 1 17 17 PHE H H 17 8.081 8.081 7.829 0.252 18830 272 1 7 . 1 1 18 18 THR HA H 18 4.059 4.059 3.647 0.412 18830 273 1 7 . 1 1 18 18 THR H H 18 7.887 7.887 8.205 -0.318 18830 274 1 7 . 1 1 19 19 THR HA H 19 4.323 4.323 3.905 0.418 18830 275 1 7 . 1 1 19 19 THR H H 19 7.743 7.743 8.254 -0.511 18830 276 1 7 . 1 1 20 20 GLY H H 20 8.031 8.031 8.221 -0.190 18830 277 1 7 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.373 -0.032 18830 278 1 7 . 1 1 21 21 ALA H H 21 7.932 7.932 8.151 -0.219 18830 279 1 7 . 1 1 22 22 SER HA H 22 4.446 4.446 4.353 0.093 18830 280 1 7 . 1 1 22 22 SER H H 22 8.111 8.111 7.891 0.220 18830 281 1 8 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.204 0.266 18830 282 1 8 . 1 1 2 2 PHE H H 2 8.129 8.129 8.048 0.081 18830 283 1 8 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.882 0.145 18830 284 1 8 . 1 1 3 3 LEU H H 3 7.971 7.971 8.343 -0.372 18830 285 1 8 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.385 0.104 18830 286 1 8 . 1 1 4 4 ASN H H 4 8.059 8.059 8.524 -0.465 18830 287 1 8 . 1 1 5 5 SER HA H 5 4.355 4.355 3.999 0.356 18830 288 1 8 . 1 1 5 5 SER H H 5 8.178 8.178 7.674 0.504 18830 289 1 8 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.845 0.315 18830 290 1 8 . 1 1 6 6 ALA H H 6 8.405 8.405 7.739 0.666 18830 291 1 8 . 1 1 7 7 MET HA H 7 4.240 4.240 4.314 -0.074 18830 292 1 8 . 1 1 7 7 MET H H 7 8.379 8.379 7.506 0.873 18830 293 1 8 . 1 1 8 8 SER HA H 8 4.356 4.356 4.114 0.242 18830 294 1 8 . 1 1 8 8 SER H H 8 8.060 8.060 8.175 -0.115 18830 295 1 8 . 1 1 9 9 SER HA H 9 4.441 4.441 4.104 0.337 18830 296 1 8 . 1 1 9 9 SER H H 9 8.104 8.104 7.910 0.194 18830 297 1 8 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.219 0.016 18830 298 1 8 . 1 1 10 10 LEU H H 10 8.259 8.259 7.880 0.379 18830 299 1 8 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.572 -0.157 18830 300 1 8 . 1 1 11 11 TYR H H 11 8.404 8.404 8.631 -0.227 18830 301 1 8 . 1 1 12 12 SER HA H 12 4.305 4.305 4.322 -0.017 18830 302 1 8 . 1 1 12 12 SER H H 12 8.334 8.334 8.888 -0.554 18830 303 1 8 . 1 1 13 13 GLY H H 13 8.270 8.270 7.458 0.812 18830 304 1 8 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.656 -0.125 18830 305 1 8 . 1 1 14 14 TRP H H 14 8.538 8.538 7.890 0.648 18830 306 1 8 . 1 1 15 15 SER HA H 15 4.021 4.021 3.858 0.163 18830 307 1 8 . 1 1 15 15 SER H H 15 8.295 8.295 6.446 1.849 18830 308 1 8 . 1 1 16 16 SER HA H 16 4.297 4.297 4.083 0.214 18830 309 1 8 . 1 1 16 16 SER H H 16 7.974 7.974 7.509 0.465 18830 310 1 8 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.749 -0.250 18830 311 1 8 . 1 1 17 17 PHE H H 17 8.081 8.081 7.610 0.471 18830 312 1 8 . 1 1 18 18 THR HA H 18 4.059 4.059 3.874 0.185 18830 313 1 8 . 1 1 18 18 THR H H 18 7.887 7.887 7.765 0.122 18830 314 1 8 . 1 1 19 19 THR HA H 19 4.323 4.323 4.011 0.312 18830 315 1 8 . 1 1 19 19 THR H H 19 7.743 7.743 8.184 -0.441 18830 316 1 8 . 1 1 20 20 GLY H H 20 8.031 8.031 7.889 0.142 18830 317 1 8 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.598 -0.257 18830 318 1 8 . 1 1 21 21 ALA H H 21 7.932 7.932 7.506 0.426 18830 319 1 8 . 1 1 22 22 SER HA H 22 4.446 4.446 4.386 0.060 18830 320 1 8 . 1 1 22 22 SER H H 22 8.111 8.111 8.463 -0.352 18830 321 1 9 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.243 0.227 18830 322 1 9 . 1 1 2 2 PHE H H 2 8.129 8.129 8.052 0.077 18830 323 1 9 . 1 1 3 3 LEU HA H 3 4.027 4.027 4.065 -0.038 18830 324 1 9 . 1 1 3 3 LEU H H 3 7.971 7.971 8.350 -0.379 18830 325 1 9 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.474 0.015 18830 326 1 9 . 1 1 4 4 ASN H H 4 8.059 8.059 8.287 -0.228 18830 327 1 9 . 1 1 5 5 SER HA H 5 4.355 4.355 4.166 0.189 18830 328 1 9 . 1 1 5 5 SER H H 5 8.178 8.178 7.629 0.549 18830 329 1 9 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.055 0.105 18830 330 1 9 . 1 1 6 6 ALA H H 6 8.405 8.405 7.697 0.708 18830 331 1 9 . 1 1 7 7 MET HA H 7 4.240 4.240 4.410 -0.170 18830 332 1 9 . 1 1 7 7 MET H H 7 8.379 8.379 7.585 0.794 18830 333 1 9 . 1 1 8 8 SER HA H 8 4.356 4.356 4.222 0.134 18830 334 1 9 . 1 1 8 8 SER H H 8 8.060 8.060 8.706 -0.646 18830 335 1 9 . 1 1 9 9 SER HA H 9 4.441 4.441 4.398 0.043 18830 336 1 9 . 1 1 9 9 SER H H 9 8.104 8.104 8.643 -0.539 18830 337 1 9 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.365 -0.130 18830 338 1 9 . 1 1 10 10 LEU H H 10 8.259 8.259 7.373 0.886 18830 339 1 9 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.904 -0.489 18830 340 1 9 . 1 1 11 11 TYR H H 11 8.404 8.404 8.925 -0.520 18830 341 1 9 . 1 1 12 12 SER HA H 12 4.305 4.305 4.530 -0.225 18830 342 1 9 . 1 1 12 12 SER H H 12 8.334 8.334 7.910 0.424 18830 343 1 9 . 1 1 13 13 GLY H H 13 8.270 8.270 8.575 -0.305 18830 344 1 9 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.850 -0.319 18830 345 1 9 . 1 1 14 14 TRP H H 14 8.538 8.538 7.786 0.752 18830 346 1 9 . 1 1 15 15 SER HA H 15 4.021 4.021 3.826 0.195 18830 347 1 9 . 1 1 15 15 SER H H 15 8.295 8.295 6.445 1.850 18830 348 1 9 . 1 1 16 16 SER HA H 16 4.297 4.297 4.173 0.124 18830 349 1 9 . 1 1 16 16 SER H H 16 7.974 7.974 8.278 -0.304 18830 350 1 9 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.707 -0.208 18830 351 1 9 . 1 1 17 17 PHE H H 17 8.081 8.081 7.882 0.199 18830 352 1 9 . 1 1 18 18 THR HA H 18 4.059 4.059 3.950 0.109 18830 353 1 9 . 1 1 18 18 THR H H 18 7.887 7.887 8.235 -0.348 18830 354 1 9 . 1 1 19 19 THR HA H 19 4.323 4.323 3.910 0.413 18830 355 1 9 . 1 1 19 19 THR H H 19 7.743 7.743 8.208 -0.465 18830 356 1 9 . 1 1 20 20 GLY H H 20 8.031 8.031 8.068 -0.037 18830 357 1 9 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.424 -0.083 18830 358 1 9 . 1 1 21 21 ALA H H 21 7.932 7.932 7.973 -0.041 18830 359 1 9 . 1 1 22 22 SER HA H 22 4.446 4.446 4.296 0.150 18830 360 1 9 . 1 1 22 22 SER H H 22 8.111 8.111 8.586 -0.475 18830 361 1 10 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.231 0.239 18830 362 1 10 . 1 1 2 2 PHE H H 2 8.129 8.129 8.126 0.003 18830 363 1 10 . 1 1 3 3 LEU HA H 3 4.027 4.027 4.168 -0.141 18830 364 1 10 . 1 1 3 3 LEU H H 3 7.971 7.971 8.397 -0.426 18830 365 1 10 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.417 0.072 18830 366 1 10 . 1 1 4 4 ASN H H 4 8.059 8.059 8.561 -0.502 18830 367 1 10 . 1 1 5 5 SER HA H 5 4.355 4.355 4.169 0.186 18830 368 1 10 . 1 1 5 5 SER H H 5 8.178 8.178 7.625 0.553 18830 369 1 10 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.027 0.133 18830 370 1 10 . 1 1 6 6 ALA H H 6 8.405 8.405 7.530 0.875 18830 371 1 10 . 1 1 7 7 MET HA H 7 4.240 4.240 4.343 -0.103 18830 372 1 10 . 1 1 7 7 MET H H 7 8.379 8.379 7.633 0.746 18830 373 1 10 . 1 1 8 8 SER HA H 8 4.356 4.356 4.132 0.224 18830 374 1 10 . 1 1 8 8 SER H H 8 8.060 8.060 8.141 -0.081 18830 375 1 10 . 1 1 9 9 SER HA H 9 4.441 4.441 4.318 0.123 18830 376 1 10 . 1 1 9 9 SER H H 9 8.104 8.104 7.677 0.427 18830 377 1 10 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.303 -0.068 18830 378 1 10 . 1 1 10 10 LEU H H 10 8.259 8.259 8.247 0.012 18830 379 1 10 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.672 -0.257 18830 380 1 10 . 1 1 11 11 TYR H H 11 8.404 8.404 8.415 -0.011 18830 381 1 10 . 1 1 12 12 SER HA H 12 4.305 4.305 4.433 -0.128 18830 382 1 10 . 1 1 12 12 SER H H 12 8.334 8.334 8.137 0.197 18830 383 1 10 . 1 1 13 13 GLY H H 13 8.270 8.270 7.519 0.751 18830 384 1 10 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.648 -0.117 18830 385 1 10 . 1 1 14 14 TRP H H 14 8.538 8.538 7.837 0.701 18830 386 1 10 . 1 1 15 15 SER HA H 15 4.021 4.021 3.769 0.252 18830 387 1 10 . 1 1 15 15 SER H H 15 8.295 8.295 6.360 1.935 18830 388 1 10 . 1 1 16 16 SER HA H 16 4.297 4.297 4.080 0.217 18830 389 1 10 . 1 1 16 16 SER H H 16 7.974 7.974 7.648 0.326 18830 390 1 10 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.547 -0.048 18830 391 1 10 . 1 1 17 17 PHE H H 17 8.081 8.081 7.354 0.727 18830 392 1 10 . 1 1 18 18 THR HA H 18 4.059 4.059 3.743 0.316 18830 393 1 10 . 1 1 18 18 THR H H 18 7.887 7.887 7.656 0.231 18830 394 1 10 . 1 1 19 19 THR HA H 19 4.323 4.323 4.106 0.217 18830 395 1 10 . 1 1 19 19 THR H H 19 7.743 7.743 7.920 -0.177 18830 396 1 10 . 1 1 20 20 GLY H H 20 8.031 8.031 8.290 -0.259 18830 397 1 10 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.194 0.147 18830 398 1 10 . 1 1 21 21 ALA H H 21 7.932 7.932 7.186 0.746 18830 399 1 10 . 1 1 22 22 SER HA H 22 4.446 4.446 4.397 0.049 18830 400 1 10 . 1 1 22 22 SER H H 22 8.111 8.111 7.963 0.148 18830 401 1 11 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.237 0.233 18830 402 1 11 . 1 1 2 2 PHE H H 2 8.129 8.129 8.053 0.076 18830 403 1 11 . 1 1 3 3 LEU HA H 3 4.027 4.027 4.156 -0.129 18830 404 1 11 . 1 1 3 3 LEU H H 3 7.971 7.971 8.368 -0.397 18830 405 1 11 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.516 -0.027 18830 406 1 11 . 1 1 4 4 ASN H H 4 8.059 8.059 8.053 0.006 18830 407 1 11 . 1 1 5 5 SER HA H 5 4.355 4.355 4.258 0.097 18830 408 1 11 . 1 1 5 5 SER H H 5 8.178 8.178 7.674 0.504 18830 409 1 11 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.046 0.114 18830 410 1 11 . 1 1 6 6 ALA H H 6 8.405 8.405 7.426 0.979 18830 411 1 11 . 1 1 7 7 MET HA H 7 4.240 4.240 4.377 -0.137 18830 412 1 11 . 1 1 7 7 MET H H 7 8.379 8.379 7.648 0.731 18830 413 1 11 . 1 1 8 8 SER HA H 8 4.356 4.356 4.115 0.241 18830 414 1 11 . 1 1 8 8 SER H H 8 8.060 8.060 8.280 -0.220 18830 415 1 11 . 1 1 9 9 SER HA H 9 4.441 4.441 4.137 0.304 18830 416 1 11 . 1 1 9 9 SER H H 9 8.104 8.104 7.720 0.384 18830 417 1 11 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.200 0.035 18830 418 1 11 . 1 1 10 10 LEU H H 10 8.259 8.259 8.245 0.014 18830 419 1 11 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.611 -0.196 18830 420 1 11 . 1 1 11 11 TYR H H 11 8.404 8.404 8.791 -0.387 18830 421 1 11 . 1 1 12 12 SER HA H 12 4.305 4.305 4.515 -0.210 18830 422 1 11 . 1 1 12 12 SER H H 12 8.334 8.334 8.577 -0.243 18830 423 1 11 . 1 1 13 13 GLY H H 13 8.270 8.270 8.299 -0.029 18830 424 1 11 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.968 -0.437 18830 425 1 11 . 1 1 14 14 TRP H H 14 8.538 8.538 7.750 0.788 18830 426 1 11 . 1 1 15 15 SER HA H 15 4.021 4.021 3.814 0.207 18830 427 1 11 . 1 1 15 15 SER H H 15 8.295 8.295 6.340 1.955 18830 428 1 11 . 1 1 16 16 SER HA H 16 4.297 4.297 4.037 0.260 18830 429 1 11 . 1 1 16 16 SER H H 16 7.974 7.974 8.170 -0.196 18830 430 1 11 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.769 -0.270 18830 431 1 11 . 1 1 17 17 PHE H H 17 8.081 8.081 7.563 0.518 18830 432 1 11 . 1 1 18 18 THR HA H 18 4.059 4.059 3.781 0.278 18830 433 1 11 . 1 1 18 18 THR H H 18 7.887 7.887 7.689 0.198 18830 434 1 11 . 1 1 19 19 THR HA H 19 4.323 4.323 3.892 0.431 18830 435 1 11 . 1 1 19 19 THR H H 19 7.743 7.743 7.988 -0.245 18830 436 1 11 . 1 1 20 20 GLY H H 20 8.031 8.031 8.114 -0.083 18830 437 1 11 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.194 0.147 18830 438 1 11 . 1 1 21 21 ALA H H 21 7.932 7.932 6.966 0.966 18830 439 1 11 . 1 1 22 22 SER HA H 22 4.446 4.446 4.570 -0.124 18830 440 1 11 . 1 1 22 22 SER H H 22 8.111 8.111 8.116 -0.005 18830 441 1 12 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.289 0.181 18830 442 1 12 . 1 1 2 2 PHE H H 2 8.129 8.129 8.235 -0.106 18830 443 1 12 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.922 0.105 18830 444 1 12 . 1 1 3 3 LEU H H 3 7.971 7.971 8.374 -0.403 18830 445 1 12 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.404 0.085 18830 446 1 12 . 1 1 4 4 ASN H H 4 8.059 8.059 7.966 0.093 18830 447 1 12 . 1 1 5 5 SER HA H 5 4.355 4.355 4.071 0.284 18830 448 1 12 . 1 1 5 5 SER H H 5 8.178 8.178 7.755 0.423 18830 449 1 12 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.974 0.186 18830 450 1 12 . 1 1 6 6 ALA H H 6 8.405 8.405 7.204 1.201 18830 451 1 12 . 1 1 7 7 MET HA H 7 4.240 4.240 4.355 -0.115 18830 452 1 12 . 1 1 7 7 MET H H 7 8.379 8.379 7.612 0.767 18830 453 1 12 . 1 1 8 8 SER HA H 8 4.356 4.356 4.133 0.223 18830 454 1 12 . 1 1 8 8 SER H H 8 8.060 8.060 8.618 -0.558 18830 455 1 12 . 1 1 9 9 SER HA H 9 4.441 4.441 4.326 0.115 18830 456 1 12 . 1 1 9 9 SER H H 9 8.104 8.104 7.561 0.543 18830 457 1 12 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.223 0.012 18830 458 1 12 . 1 1 10 10 LEU H H 10 8.259 8.259 8.091 0.168 18830 459 1 12 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.888 -0.473 18830 460 1 12 . 1 1 11 11 TYR H H 11 8.404 8.404 9.091 -0.687 18830 461 1 12 . 1 1 12 12 SER HA H 12 4.305 4.305 4.446 -0.141 18830 462 1 12 . 1 1 12 12 SER H H 12 8.334 8.334 8.294 0.040 18830 463 1 12 . 1 1 13 13 GLY H H 13 8.270 8.270 7.718 0.552 18830 464 1 12 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.683 -0.152 18830 465 1 12 . 1 1 14 14 TRP H H 14 8.538 8.538 7.971 0.567 18830 466 1 12 . 1 1 15 15 SER HA H 15 4.021 4.021 3.751 0.271 18830 467 1 12 . 1 1 15 15 SER H H 15 8.295 8.295 6.227 2.068 18830 468 1 12 . 1 1 16 16 SER HA H 16 4.297 4.297 4.085 0.212 18830 469 1 12 . 1 1 16 16 SER H H 16 7.974 7.974 7.932 0.042 18830 470 1 12 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.728 -0.229 18830 471 1 12 . 1 1 17 17 PHE H H 17 8.081 8.081 7.812 0.269 18830 472 1 12 . 1 1 18 18 THR HA H 18 4.059 4.059 3.603 0.456 18830 473 1 12 . 1 1 18 18 THR H H 18 7.887 7.887 7.870 0.017 18830 474 1 12 . 1 1 19 19 THR HA H 19 4.323 4.323 4.199 0.124 18830 475 1 12 . 1 1 19 19 THR H H 19 7.743 7.743 7.784 -0.041 18830 476 1 12 . 1 1 20 20 GLY H H 20 8.031 8.031 8.198 -0.167 18830 477 1 12 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.364 -0.023 18830 478 1 12 . 1 1 21 21 ALA H H 21 7.932 7.932 7.263 0.669 18830 479 1 12 . 1 1 22 22 SER HA H 22 4.446 4.446 4.288 0.158 18830 480 1 12 . 1 1 22 22 SER H H 22 8.111 8.111 7.800 0.311 18830 481 1 13 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.243 0.227 18830 482 1 13 . 1 1 2 2 PHE H H 2 8.129 8.129 8.026 0.103 18830 483 1 13 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.520 0.507 18830 484 1 13 . 1 1 3 3 LEU H H 3 7.971 7.971 8.250 -0.279 18830 485 1 13 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.416 0.073 18830 486 1 13 . 1 1 4 4 ASN H H 4 8.059 8.059 8.244 -0.185 18830 487 1 13 . 1 1 5 5 SER HA H 5 4.355 4.355 4.214 0.141 18830 488 1 13 . 1 1 5 5 SER H H 5 8.178 8.178 7.779 0.399 18830 489 1 13 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.997 0.163 18830 490 1 13 . 1 1 6 6 ALA H H 6 8.405 8.405 7.646 0.759 18830 491 1 13 . 1 1 7 7 MET HA H 7 4.240 4.240 4.369 -0.129 18830 492 1 13 . 1 1 7 7 MET H H 7 8.379 8.379 7.470 0.909 18830 493 1 13 . 1 1 8 8 SER HA H 8 4.356 4.356 4.062 0.294 18830 494 1 13 . 1 1 8 8 SER H H 8 8.060 8.060 8.715 -0.655 18830 495 1 13 . 1 1 9 9 SER HA H 9 4.441 4.441 4.210 0.231 18830 496 1 13 . 1 1 9 9 SER H H 9 8.104 8.104 7.848 0.256 18830 497 1 13 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.182 0.053 18830 498 1 13 . 1 1 10 10 LEU H H 10 8.259 8.259 8.216 0.043 18830 499 1 13 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.374 0.041 18830 500 1 13 . 1 1 11 11 TYR H H 11 8.404 8.404 8.040 0.364 18830 501 1 13 . 1 1 12 12 SER HA H 12 4.305 4.305 4.394 -0.089 18830 502 1 13 . 1 1 12 12 SER H H 12 8.334 8.334 8.476 -0.142 18830 503 1 13 . 1 1 13 13 GLY H H 13 8.270 8.270 7.444 0.826 18830 504 1 13 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.932 -0.401 18830 505 1 13 . 1 1 14 14 TRP H H 14 8.538 8.538 7.247 1.291 18830 506 1 13 . 1 1 15 15 SER HA H 15 4.021 4.021 4.087 -0.066 18830 507 1 13 . 1 1 15 15 SER H H 15 8.295 8.295 6.600 1.695 18830 508 1 13 . 1 1 16 16 SER HA H 16 4.297 4.297 4.146 0.151 18830 509 1 13 . 1 1 16 16 SER H H 16 7.974 7.974 8.005 -0.031 18830 510 1 13 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.690 -0.191 18830 511 1 13 . 1 1 17 17 PHE H H 17 8.081 8.081 7.915 0.166 18830 512 1 13 . 1 1 18 18 THR HA H 18 4.059 4.059 3.972 0.087 18830 513 1 13 . 1 1 18 18 THR H H 18 7.887 7.887 8.532 -0.645 18830 514 1 13 . 1 1 19 19 THR HA H 19 4.323 4.323 3.900 0.423 18830 515 1 13 . 1 1 19 19 THR H H 19 7.743 7.743 7.972 -0.229 18830 516 1 13 . 1 1 20 20 GLY H H 20 8.031 8.031 8.455 -0.424 18830 517 1 13 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.024 0.317 18830 518 1 13 . 1 1 21 21 ALA H H 21 7.932 7.932 7.590 0.342 18830 519 1 13 . 1 1 22 22 SER HA H 22 4.446 4.446 4.471 -0.025 18830 520 1 13 . 1 1 22 22 SER H H 22 8.111 8.111 7.773 0.338 18830 521 1 14 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.227 0.243 18830 522 1 14 . 1 1 2 2 PHE H H 2 8.129 8.129 8.280 -0.151 18830 523 1 14 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.769 0.258 18830 524 1 14 . 1 1 3 3 LEU H H 3 7.971 7.971 8.334 -0.363 18830 525 1 14 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.448 0.041 18830 526 1 14 . 1 1 4 4 ASN H H 4 8.059 8.059 8.336 -0.277 18830 527 1 14 . 1 1 5 5 SER HA H 5 4.355 4.355 4.237 0.118 18830 528 1 14 . 1 1 5 5 SER H H 5 8.178 8.178 7.735 0.443 18830 529 1 14 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.919 0.241 18830 530 1 14 . 1 1 6 6 ALA H H 6 8.405 8.405 8.250 0.155 18830 531 1 14 . 1 1 7 7 MET HA H 7 4.240 4.240 4.325 -0.086 18830 532 1 14 . 1 1 7 7 MET H H 7 8.379 8.379 7.390 0.989 18830 533 1 14 . 1 1 8 8 SER HA H 8 4.356 4.356 4.192 0.164 18830 534 1 14 . 1 1 8 8 SER H H 8 8.060 8.060 8.520 -0.460 18830 535 1 14 . 1 1 9 9 SER HA H 9 4.441 4.441 4.227 0.214 18830 536 1 14 . 1 1 9 9 SER H H 9 8.104 8.104 8.360 -0.256 18830 537 1 14 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.322 -0.087 18830 538 1 14 . 1 1 10 10 LEU H H 10 8.259 8.259 7.590 0.669 18830 539 1 14 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.664 -0.249 18830 540 1 14 . 1 1 11 11 TYR H H 11 8.404 8.404 8.886 -0.482 18830 541 1 14 . 1 1 12 12 SER HA H 12 4.305 4.305 4.399 -0.094 18830 542 1 14 . 1 1 12 12 SER H H 12 8.334 8.334 8.107 0.227 18830 543 1 14 . 1 1 13 13 GLY H H 13 8.270 8.270 7.388 0.882 18830 544 1 14 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.646 -0.115 18830 545 1 14 . 1 1 14 14 TRP H H 14 8.538 8.538 7.640 0.898 18830 546 1 14 . 1 1 15 15 SER HA H 15 4.021 4.021 3.887 0.134 18830 547 1 14 . 1 1 15 15 SER H H 15 8.295 8.295 6.599 1.696 18830 548 1 14 . 1 1 16 16 SER HA H 16 4.297 4.297 4.128 0.169 18830 549 1 14 . 1 1 16 16 SER H H 16 7.974 7.974 8.004 -0.030 18830 550 1 14 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.561 -0.062 18830 551 1 14 . 1 1 17 17 PHE H H 17 8.081 8.081 7.934 0.147 18830 552 1 14 . 1 1 18 18 THR HA H 18 4.059 4.059 3.921 0.138 18830 553 1 14 . 1 1 18 18 THR H H 18 7.887 7.887 7.565 0.322 18830 554 1 14 . 1 1 19 19 THR HA H 19 4.323 4.323 4.154 0.169 18830 555 1 14 . 1 1 19 19 THR H H 19 7.743 7.743 7.975 -0.232 18830 556 1 14 . 1 1 20 20 GLY H H 20 8.031 8.031 8.054 -0.023 18830 557 1 14 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.178 0.163 18830 558 1 14 . 1 1 21 21 ALA H H 21 7.932 7.932 7.442 0.490 18830 559 1 14 . 1 1 22 22 SER HA H 22 4.446 4.446 4.274 0.172 18830 560 1 14 . 1 1 22 22 SER H H 22 8.111 8.111 7.652 0.459 18830 561 1 15 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.254 0.216 18830 562 1 15 . 1 1 2 2 PHE H H 2 8.129 8.129 8.074 0.055 18830 563 1 15 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.876 0.151 18830 564 1 15 . 1 1 3 3 LEU H H 3 7.971 7.971 8.270 -0.299 18830 565 1 15 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.498 -0.009 18830 566 1 15 . 1 1 4 4 ASN H H 4 8.059 8.059 8.457 -0.398 18830 567 1 15 . 1 1 5 5 SER HA H 5 4.355 4.355 4.241 0.114 18830 568 1 15 . 1 1 5 5 SER H H 5 8.178 8.178 7.501 0.677 18830 569 1 15 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.994 0.166 18830 570 1 15 . 1 1 6 6 ALA H H 6 8.405 8.405 7.319 1.086 18830 571 1 15 . 1 1 7 7 MET HA H 7 4.240 4.240 4.342 -0.102 18830 572 1 15 . 1 1 7 7 MET H H 7 8.379 8.379 7.424 0.955 18830 573 1 15 . 1 1 8 8 SER HA H 8 4.356 4.356 4.076 0.280 18830 574 1 15 . 1 1 8 8 SER H H 8 8.060 8.060 8.540 -0.480 18830 575 1 15 . 1 1 9 9 SER HA H 9 4.441 4.441 4.153 0.288 18830 576 1 15 . 1 1 9 9 SER H H 9 8.104 8.104 7.904 0.200 18830 577 1 15 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.271 -0.036 18830 578 1 15 . 1 1 10 10 LEU H H 10 8.259 8.259 7.999 0.260 18830 579 1 15 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.479 -0.064 18830 580 1 15 . 1 1 11 11 TYR H H 11 8.404 8.404 8.868 -0.464 18830 581 1 15 . 1 1 12 12 SER HA H 12 4.305 4.305 4.372 -0.067 18830 582 1 15 . 1 1 12 12 SER H H 12 8.334 8.334 8.384 -0.050 18830 583 1 15 . 1 1 13 13 GLY H H 13 8.270 8.270 8.344 -0.074 18830 584 1 15 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.921 -0.390 18830 585 1 15 . 1 1 14 14 TRP H H 14 8.538 8.538 8.545 -0.007 18830 586 1 15 . 1 1 15 15 SER HA H 15 4.021 4.021 3.926 0.095 18830 587 1 15 . 1 1 15 15 SER H H 15 8.295 8.295 6.888 1.407 18830 588 1 15 . 1 1 16 16 SER HA H 16 4.297 4.297 4.062 0.235 18830 589 1 15 . 1 1 16 16 SER H H 16 7.974 7.974 8.117 -0.143 18830 590 1 15 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.696 -0.197 18830 591 1 15 . 1 1 17 17 PHE H H 17 8.081 8.081 7.519 0.562 18830 592 1 15 . 1 1 18 18 THR HA H 18 4.059 4.059 3.849 0.210 18830 593 1 15 . 1 1 18 18 THR H H 18 7.887 7.887 7.707 0.180 18830 594 1 15 . 1 1 19 19 THR HA H 19 4.323 4.323 3.886 0.437 18830 595 1 15 . 1 1 19 19 THR H H 19 7.743 7.743 7.859 -0.116 18830 596 1 15 . 1 1 20 20 GLY H H 20 8.031 8.031 8.042 -0.011 18830 597 1 15 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.152 0.189 18830 598 1 15 . 1 1 21 21 ALA H H 21 7.932 7.932 7.169 0.763 18830 599 1 15 . 1 1 22 22 SER HA H 22 4.446 4.446 4.188 0.258 18830 600 1 15 . 1 1 22 22 SER H H 22 8.111 8.111 7.599 0.512 18830 601 1 16 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.301 0.169 18830 602 1 16 . 1 1 2 2 PHE H H 2 8.129 8.129 8.368 -0.239 18830 603 1 16 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.708 0.319 18830 604 1 16 . 1 1 3 3 LEU H H 3 7.971 7.971 8.152 -0.181 18830 605 1 16 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.485 0.004 18830 606 1 16 . 1 1 4 4 ASN H H 4 8.059 8.059 7.926 0.133 18830 607 1 16 . 1 1 5 5 SER HA H 5 4.355 4.355 4.177 0.178 18830 608 1 16 . 1 1 5 5 SER H H 5 8.178 8.178 8.097 0.081 18830 609 1 16 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.045 0.115 18830 610 1 16 . 1 1 6 6 ALA H H 6 8.405 8.405 7.555 0.850 18830 611 1 16 . 1 1 7 7 MET HA H 7 4.240 4.240 4.401 -0.161 18830 612 1 16 . 1 1 7 7 MET H H 7 8.379 8.379 7.498 0.881 18830 613 1 16 . 1 1 8 8 SER HA H 8 4.356 4.356 4.128 0.228 18830 614 1 16 . 1 1 8 8 SER H H 8 8.060 8.060 8.700 -0.639 18830 615 1 16 . 1 1 9 9 SER HA H 9 4.441 4.441 4.296 0.145 18830 616 1 16 . 1 1 9 9 SER H H 9 8.104 8.104 8.104 0.000 18830 617 1 16 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.326 -0.091 18830 618 1 16 . 1 1 10 10 LEU H H 10 8.259 8.259 7.278 0.981 18830 619 1 16 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.876 -0.461 18830 620 1 16 . 1 1 11 11 TYR H H 11 8.404 8.404 9.122 -0.718 18830 621 1 16 . 1 1 12 12 SER HA H 12 4.305 4.305 4.433 -0.128 18830 622 1 16 . 1 1 12 12 SER H H 12 8.334 8.334 8.489 -0.155 18830 623 1 16 . 1 1 13 13 GLY H H 13 8.270 8.270 7.771 0.499 18830 624 1 16 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.847 -0.316 18830 625 1 16 . 1 1 14 14 TRP H H 14 8.538 8.538 7.735 0.803 18830 626 1 16 . 1 1 15 15 SER HA H 15 4.021 4.021 3.912 0.109 18830 627 1 16 . 1 1 15 15 SER H H 15 8.295 8.295 6.528 1.767 18830 628 1 16 . 1 1 16 16 SER HA H 16 4.297 4.297 4.205 0.092 18830 629 1 16 . 1 1 16 16 SER H H 16 7.974 7.974 8.084 -0.110 18830 630 1 16 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.635 -0.136 18830 631 1 16 . 1 1 17 17 PHE H H 17 8.081 8.081 7.851 0.230 18830 632 1 16 . 1 1 18 18 THR HA H 18 4.059 4.059 3.901 0.158 18830 633 1 16 . 1 1 18 18 THR H H 18 7.887 7.887 8.398 -0.511 18830 634 1 16 . 1 1 19 19 THR HA H 19 4.323 4.323 3.932 0.391 18830 635 1 16 . 1 1 19 19 THR H H 19 7.743 7.743 7.778 -0.035 18830 636 1 16 . 1 1 20 20 GLY H H 20 8.031 8.031 8.477 -0.446 18830 637 1 16 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.310 0.031 18830 638 1 16 . 1 1 21 21 ALA H H 21 7.932 7.932 7.645 0.287 18830 639 1 16 . 1 1 22 22 SER HA H 22 4.446 4.446 4.266 0.180 18830 640 1 16 . 1 1 22 22 SER H H 22 8.111 8.111 7.863 0.248 18830 641 1 17 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.254 0.216 18830 642 1 17 . 1 1 2 2 PHE H H 2 8.129 8.129 8.320 -0.191 18830 643 1 17 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.564 0.463 18830 644 1 17 . 1 1 3 3 LEU H H 3 7.971 7.971 8.136 -0.165 18830 645 1 17 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.413 0.076 18830 646 1 17 . 1 1 4 4 ASN H H 4 8.059 8.059 8.534 -0.475 18830 647 1 17 . 1 1 5 5 SER HA H 5 4.355 4.355 4.256 0.099 18830 648 1 17 . 1 1 5 5 SER H H 5 8.178 8.178 7.586 0.592 18830 649 1 17 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.052 0.108 18830 650 1 17 . 1 1 6 6 ALA H H 6 8.405 8.405 7.673 0.732 18830 651 1 17 . 1 1 7 7 MET HA H 7 4.240 4.240 4.422 -0.182 18830 652 1 17 . 1 1 7 7 MET H H 7 8.379 8.379 7.663 0.716 18830 653 1 17 . 1 1 8 8 SER HA H 8 4.356 4.356 4.147 0.209 18830 654 1 17 . 1 1 8 8 SER H H 8 8.060 8.060 8.843 -0.783 18830 655 1 17 . 1 1 9 9 SER HA H 9 4.441 4.441 4.274 0.167 18830 656 1 17 . 1 1 9 9 SER H H 9 8.104 8.104 7.747 0.357 18830 657 1 17 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.201 0.034 18830 658 1 17 . 1 1 10 10 LEU H H 10 8.259 8.259 8.325 -0.066 18830 659 1 17 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.579 -0.164 18830 660 1 17 . 1 1 11 11 TYR H H 11 8.404 8.404 8.819 -0.415 18830 661 1 17 . 1 1 12 12 SER HA H 12 4.305 4.305 4.475 -0.170 18830 662 1 17 . 1 1 12 12 SER H H 12 8.334 8.334 8.250 0.084 18830 663 1 17 . 1 1 13 13 GLY H H 13 8.270 8.270 7.937 0.333 18830 664 1 17 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.708 -0.177 18830 665 1 17 . 1 1 14 14 TRP H H 14 8.538 8.538 8.290 0.248 18830 666 1 17 . 1 1 15 15 SER HA H 15 4.021 4.021 3.718 0.303 18830 667 1 17 . 1 1 15 15 SER H H 15 8.295 8.295 6.173 2.122 18830 668 1 17 . 1 1 16 16 SER HA H 16 4.297 4.297 4.185 0.112 18830 669 1 17 . 1 1 16 16 SER H H 16 7.974 7.974 8.108 -0.134 18830 670 1 17 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.573 -0.074 18830 671 1 17 . 1 1 17 17 PHE H H 17 8.081 8.081 7.778 0.303 18830 672 1 17 . 1 1 18 18 THR HA H 18 4.059 4.059 3.679 0.380 18830 673 1 17 . 1 1 18 18 THR H H 18 7.887 7.887 8.427 -0.540 18830 674 1 17 . 1 1 19 19 THR HA H 19 4.323 4.323 3.771 0.552 18830 675 1 17 . 1 1 19 19 THR H H 19 7.743 7.743 7.644 0.099 18830 676 1 17 . 1 1 20 20 GLY H H 20 8.031 8.031 7.929 0.102 18830 677 1 17 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.400 -0.059 18830 678 1 17 . 1 1 21 21 ALA H H 21 7.932 7.932 7.895 0.037 18830 679 1 17 . 1 1 22 22 SER HA H 22 4.446 4.446 4.300 0.146 18830 680 1 17 . 1 1 22 22 SER H H 22 8.111 8.111 8.048 0.063 18830 681 1 18 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.215 0.255 18830 682 1 18 . 1 1 2 2 PHE H H 2 8.129 8.129 8.054 0.075 18830 683 1 18 . 1 1 3 3 LEU HA H 3 4.027 4.027 4.154 -0.127 18830 684 1 18 . 1 1 3 3 LEU H H 3 7.971 7.971 8.400 -0.429 18830 685 1 18 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.515 -0.026 18830 686 1 18 . 1 1 4 4 ASN H H 4 8.059 8.059 8.592 -0.533 18830 687 1 18 . 1 1 5 5 SER HA H 5 4.355 4.355 4.228 0.127 18830 688 1 18 . 1 1 5 5 SER H H 5 8.178 8.178 7.724 0.454 18830 689 1 18 . 1 1 6 6 ALA HA H 6 4.160 4.160 4.001 0.159 18830 690 1 18 . 1 1 6 6 ALA H H 6 8.405 8.405 7.950 0.455 18830 691 1 18 . 1 1 7 7 MET HA H 7 4.240 4.240 4.413 -0.173 18830 692 1 18 . 1 1 7 7 MET H H 7 8.379 8.379 7.551 0.828 18830 693 1 18 . 1 1 8 8 SER HA H 8 4.356 4.356 4.143 0.213 18830 694 1 18 . 1 1 8 8 SER H H 8 8.060 8.060 8.495 -0.435 18830 695 1 18 . 1 1 9 9 SER HA H 9 4.441 4.441 4.267 0.174 18830 696 1 18 . 1 1 9 9 SER H H 9 8.104 8.104 8.347 -0.243 18830 697 1 18 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.255 -0.020 18830 698 1 18 . 1 1 10 10 LEU H H 10 8.259 8.259 7.736 0.523 18830 699 1 18 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.471 -0.056 18830 700 1 18 . 1 1 11 11 TYR H H 11 8.404 8.404 9.273 -0.869 18830 701 1 18 . 1 1 12 12 SER HA H 12 4.305 4.305 4.345 -0.040 18830 702 1 18 . 1 1 12 12 SER H H 12 8.334 8.334 8.373 -0.039 18830 703 1 18 . 1 1 13 13 GLY H H 13 8.270 8.270 7.512 0.758 18830 704 1 18 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.926 -0.395 18830 705 1 18 . 1 1 14 14 TRP H H 14 8.538 8.538 7.537 1.001 18830 706 1 18 . 1 1 15 15 SER HA H 15 4.021 4.021 3.989 0.032 18830 707 1 18 . 1 1 15 15 SER H H 15 8.295 8.295 6.636 1.659 18830 708 1 18 . 1 1 16 16 SER HA H 16 4.297 4.297 4.200 0.097 18830 709 1 18 . 1 1 16 16 SER H H 16 7.974 7.974 8.064 -0.090 18830 710 1 18 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.816 -0.317 18830 711 1 18 . 1 1 17 17 PHE H H 17 8.081 8.081 7.969 0.112 18830 712 1 18 . 1 1 18 18 THR HA H 18 4.059 4.059 3.696 0.363 18830 713 1 18 . 1 1 18 18 THR H H 18 7.887 7.887 7.566 0.321 18830 714 1 18 . 1 1 19 19 THR HA H 19 4.323 4.323 3.955 0.368 18830 715 1 18 . 1 1 19 19 THR H H 19 7.743 7.743 7.940 -0.197 18830 716 1 18 . 1 1 20 20 GLY H H 20 8.031 8.031 8.604 -0.573 18830 717 1 18 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.071 0.270 18830 718 1 18 . 1 1 21 21 ALA H H 21 7.932 7.932 7.498 0.434 18830 719 1 18 . 1 1 22 22 SER HA H 22 4.446 4.446 4.155 0.291 18830 720 1 18 . 1 1 22 22 SER H H 22 8.111 8.111 7.714 0.397 18830 721 1 19 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.855 -0.385 18830 722 1 19 . 1 1 2 2 PHE H H 2 8.129 8.129 8.320 -0.191 18830 723 1 19 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.862 0.165 18830 724 1 19 . 1 1 3 3 LEU H H 3 7.971 7.971 8.435 -0.464 18830 725 1 19 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.480 0.009 18830 726 1 19 . 1 1 4 4 ASN H H 4 8.059 8.059 8.667 -0.608 18830 727 1 19 . 1 1 5 5 SER HA H 5 4.355 4.355 4.169 0.186 18830 728 1 19 . 1 1 5 5 SER H H 5 8.178 8.178 7.751 0.427 18830 729 1 19 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.967 0.193 18830 730 1 19 . 1 1 6 6 ALA H H 6 8.405 8.405 7.636 0.769 18830 731 1 19 . 1 1 7 7 MET HA H 7 4.240 4.240 4.460 -0.220 18830 732 1 19 . 1 1 7 7 MET H H 7 8.379 8.379 7.577 0.802 18830 733 1 19 . 1 1 8 8 SER HA H 8 4.356 4.356 4.202 0.154 18830 734 1 19 . 1 1 8 8 SER H H 8 8.060 8.060 9.007 -0.947 18830 735 1 19 . 1 1 9 9 SER HA H 9 4.441 4.441 4.244 0.197 18830 736 1 19 . 1 1 9 9 SER H H 9 8.104 8.104 7.988 0.116 18830 737 1 19 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.367 -0.132 18830 738 1 19 . 1 1 10 10 LEU H H 10 8.259 8.259 8.289 -0.030 18830 739 1 19 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.721 -0.306 18830 740 1 19 . 1 1 11 11 TYR H H 11 8.404 8.404 8.995 -0.591 18830 741 1 19 . 1 1 12 12 SER HA H 12 4.305 4.305 4.248 0.057 18830 742 1 19 . 1 1 12 12 SER H H 12 8.334 8.334 8.106 0.228 18830 743 1 19 . 1 1 13 13 GLY H H 13 8.270 8.270 7.399 0.871 18830 744 1 19 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.731 -0.200 18830 745 1 19 . 1 1 14 14 TRP H H 14 8.538 8.538 7.702 0.836 18830 746 1 19 . 1 1 15 15 SER HA H 15 4.021 4.021 3.906 0.115 18830 747 1 19 . 1 1 15 15 SER H H 15 8.295 8.295 6.737 1.558 18830 748 1 19 . 1 1 16 16 SER HA H 16 4.297 4.297 4.078 0.219 18830 749 1 19 . 1 1 16 16 SER H H 16 7.974 7.974 7.753 0.221 18830 750 1 19 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.711 -0.212 18830 751 1 19 . 1 1 17 17 PHE H H 17 8.081 8.081 7.528 0.553 18830 752 1 19 . 1 1 18 18 THR HA H 18 4.059 4.059 3.877 0.182 18830 753 1 19 . 1 1 18 18 THR H H 18 7.887 7.887 7.769 0.118 18830 754 1 19 . 1 1 19 19 THR HA H 19 4.323 4.323 4.088 0.235 18830 755 1 19 . 1 1 19 19 THR H H 19 7.743 7.743 8.019 -0.276 18830 756 1 19 . 1 1 20 20 GLY H H 20 8.031 8.031 8.246 -0.215 18830 757 1 19 . 1 1 21 21 ALA HA H 21 4.341 4.341 3.959 0.382 18830 758 1 19 . 1 1 21 21 ALA H H 21 7.932 7.932 7.416 0.516 18830 759 1 19 . 1 1 22 22 SER HA H 22 4.446 4.446 4.260 0.186 18830 760 1 19 . 1 1 22 22 SER H H 22 8.111 8.111 7.757 0.354 18830 761 1 20 . 1 1 2 2 PHE HA H 2 4.470 4.470 4.570 -0.100 18830 762 1 20 . 1 1 2 2 PHE H H 2 8.129 8.129 8.311 -0.182 18830 763 1 20 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.383 0.644 18830 764 1 20 . 1 1 3 3 LEU H H 3 7.971 7.971 8.280 -0.309 18830 765 1 20 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.372 0.117 18830 766 1 20 . 1 1 4 4 ASN H H 4 8.059 8.059 8.345 -0.286 18830 767 1 20 . 1 1 5 5 SER HA H 5 4.355 4.355 4.079 0.276 18830 768 1 20 . 1 1 5 5 SER H H 5 8.178 8.178 8.158 0.020 18830 769 1 20 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.913 0.247 18830 770 1 20 . 1 1 6 6 ALA H H 6 8.405 8.405 7.348 1.057 18830 771 1 20 . 1 1 7 7 MET HA H 7 4.240 4.240 4.168 0.072 18830 772 1 20 . 1 1 7 7 MET H H 7 8.379 8.379 7.650 0.729 18830 773 1 20 . 1 1 8 8 SER HA H 8 4.356 4.356 4.097 0.259 18830 774 1 20 . 1 1 8 8 SER H H 8 8.060 8.060 8.485 -0.425 18830 775 1 20 . 1 1 9 9 SER HA H 9 4.441 4.441 4.166 0.275 18830 776 1 20 . 1 1 9 9 SER H H 9 8.104 8.104 8.137 -0.033 18830 777 1 20 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.272 -0.037 18830 778 1 20 . 1 1 10 10 LEU H H 10 8.259 8.259 7.842 0.417 18830 779 1 20 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.627 -0.212 18830 780 1 20 . 1 1 11 11 TYR H H 11 8.404 8.404 9.148 -0.744 18830 781 1 20 . 1 1 12 12 SER HA H 12 4.305 4.305 4.297 0.008 18830 782 1 20 . 1 1 12 12 SER H H 12 8.334 8.334 8.319 0.015 18830 783 1 20 . 1 1 13 13 GLY H H 13 8.270 8.270 7.805 0.465 18830 784 1 20 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.827 -0.296 18830 785 1 20 . 1 1 14 14 TRP H H 14 8.538 8.538 7.542 0.996 18830 786 1 20 . 1 1 15 15 SER HA H 15 4.021 4.021 3.874 0.147 18830 787 1 20 . 1 1 15 15 SER H H 15 8.295 8.295 6.683 1.612 18830 788 1 20 . 1 1 16 16 SER HA H 16 4.297 4.297 4.103 0.194 18830 789 1 20 . 1 1 16 16 SER H H 16 7.974 7.974 7.844 0.130 18830 790 1 20 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.737 -0.238 18830 791 1 20 . 1 1 17 17 PHE H H 17 8.081 8.081 7.797 0.284 18830 792 1 20 . 1 1 18 18 THR HA H 18 4.059 4.059 4.003 0.056 18830 793 1 20 . 1 1 18 18 THR H H 18 7.887 7.887 8.437 -0.550 18830 794 1 20 . 1 1 19 19 THR HA H 19 4.323 4.323 3.992 0.331 18830 795 1 20 . 1 1 19 19 THR H H 19 7.743 7.743 8.154 -0.411 18830 796 1 20 . 1 1 20 20 GLY H H 20 8.031 8.031 8.417 -0.386 18830 797 1 20 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.221 0.120 18830 798 1 20 . 1 1 21 21 ALA H H 21 7.932 7.932 7.532 0.400 18830 799 1 20 . 1 1 22 22 SER HA H 22 4.446 4.446 4.141 0.305 18830 800 1 20 . 1 1 22 22 SER H H 22 8.111 8.111 7.750 0.361 18830 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 18830 2 1 1 "Average Difference" HA 23 0.257 -0.121 0.232 18830 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18830 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18830 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18830 6 1 1 "Average Difference" HN 21 0.693 -0.211 0.676 18830 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18830 8 1 2 "Average Difference" HA 23 0.222 -0.104 0.200 18830 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18830 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18830 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18830 12 1 2 "Average Difference" HN 21 0.589 -0.151 0.583 18830 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18830 14 1 3 "Average Difference" HA 23 0.263 -0.143 0.225 18830 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18830 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18830 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18830 18 1 3 "Average Difference" HN 21 0.552 -0.175 0.536 18830 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18830 20 1 4 "Average Difference" HA 23 0.253 -0.117 0.229 18830 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18830 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18830 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18830 24 1 4 "Average Difference" HN 21 0.638 -0.195 0.622 18830 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18830 26 1 5 "Average Difference" HA 23 0.268 -0.120 0.246 18830 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18830 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18830 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18830 30 1 5 "Average Difference" HN 21 0.624 -0.229 0.595 18830 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18830 32 1 6 "Average Difference" HA 23 0.246 -0.076 0.239 18830 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18830 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18830 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18830 36 1 6 "Average Difference" HN 21 0.507 -0.111 0.506 18830 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18830 38 1 7 "Average Difference" HA 23 0.236 -0.095 0.221 18830 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18830 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18830 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18830 42 1 7 "Average Difference" HN 21 0.562 -0.190 0.542 18830 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18830 44 1 8 "Average Difference" HA 23 0.232 -0.111 0.209 18830 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18830 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18830 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18830 48 1 8 "Average Difference" HN 21 0.611 -0.243 0.575 18830 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18830 50 1 9 "Average Difference" HA 23 0.237 -0.020 0.242 18830 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18830 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18830 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18830 54 1 9 "Average Difference" HN 21 0.631 -0.093 0.639 18830 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18830 56 1 10 "Average Difference" HA 23 0.220 -0.076 0.210 18830 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18830 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18830 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18830 60 1 10 "Average Difference" HN 21 0.635 -0.330 0.556 18830 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18830 62 1 11 "Average Difference" HA 23 0.241 -0.056 0.240 18830 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18830 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18830 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18830 66 1 11 "Average Difference" HN 21 0.621 -0.253 0.581 18830 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18830 68 1 12 "Average Difference" HA 23 0.228 -0.084 0.216 18830 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18830 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18830 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18830 72 1 12 "Average Difference" HN 21 0.657 -0.275 0.611 18830 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18830 74 1 13 "Average Difference" HA 23 0.298 -0.097 0.288 18830 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18830 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18830 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18830 78 1 13 "Average Difference" HN 21 0.635 -0.233 0.605 18830 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18830 80 1 14 "Average Difference" HA 23 0.248 -0.086 0.238 18830 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18830 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18830 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18830 84 1 14 "Average Difference" HN 21 0.599 -0.243 0.561 18830 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18830 86 1 15 "Average Difference" HA 23 0.243 -0.092 0.230 18830 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18830 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18830 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18830 90 1 15 "Average Difference" HN 21 0.559 -0.220 0.527 18830 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18830 92 1 16 "Average Difference" HA 23 0.261 -0.073 0.256 18830 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18830 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18830 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18830 96 1 16 "Average Difference" HN 21 0.625 -0.177 0.614 18830 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18830 98 1 17 "Average Difference" HA 23 0.288 -0.135 0.260 18830 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18830 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18830 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18830 102 1 17 "Average Difference" HN 21 0.606 -0.144 0.603 18830 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18830 104 1 18 "Average Difference" HA 23 0.228 -0.060 0.225 18830 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18830 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18830 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18830 108 1 18 "Average Difference" HN 21 0.618 -0.172 0.608 18830 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18830 110 1 19 "Average Difference" HA 23 0.266 -0.088 0.257 18830 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18830 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18830 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18830 114 1 19 "Average Difference" HN 21 0.622 -0.193 0.606 18830 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18830 116 1 20 "Average Difference" HA 23 0.292 -0.131 0.267 18830 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18830 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18830 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18830 120 1 20 "Average Difference" HN 21 0.601 -0.150 0.596 18830 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 18830 _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 PHE HA H 2 4.470 4.470 4.284 0.187 18830 2 1 . 1 1 2 2 PHE H H 2 8.129 8.129 8.131 -0.002 18830 3 1 . 1 1 3 3 LEU HA H 3 4.027 4.027 3.811 0.216 18830 4 1 . 1 1 3 3 LEU H H 3 7.971 7.971 8.301 -0.330 18830 5 1 . 1 1 4 4 ASN HA H 4 4.489 4.489 4.428 0.061 18830 6 1 . 1 1 4 4 ASN H H 4 8.059 8.059 8.311 -0.252 18830 7 1 . 1 1 5 5 SER HA H 5 4.355 4.355 4.175 0.180 18830 8 1 . 1 1 5 5 SER H H 5 8.178 8.178 7.804 0.374 18830 9 1 . 1 1 6 6 ALA HA H 6 4.160 4.160 3.968 0.192 18830 10 1 . 1 1 6 6 ALA H H 6 8.405 8.405 7.578 0.827 18830 11 1 . 1 1 7 7 MET HA H 7 4.240 4.240 4.324 -0.084 18830 12 1 . 1 1 7 7 MET H H 7 8.379 8.379 7.556 0.823 18830 13 1 . 1 1 8 8 SER HA H 8 4.356 4.356 4.119 0.237 18830 14 1 . 1 1 8 8 SER H H 8 8.060 8.060 8.478 -0.418 18830 15 1 . 1 1 9 9 SER HA H 9 4.441 4.441 4.237 0.204 18830 16 1 . 1 1 9 9 SER H H 9 8.104 8.104 7.961 0.143 18830 17 1 . 1 1 10 10 LEU HA H 10 4.235 4.235 4.279 -0.044 18830 18 1 . 1 1 10 10 LEU H H 10 8.259 8.259 7.999 0.260 18830 19 1 . 1 1 11 11 TYR HA H 11 4.415 4.415 4.656 -0.241 18830 20 1 . 1 1 11 11 TYR H H 11 8.404 8.404 8.860 -0.456 18830 21 1 . 1 1 12 12 SER HA H 12 4.305 4.305 4.388 -0.083 18830 22 1 . 1 1 12 12 SER H H 12 8.334 8.334 8.311 0.023 18830 23 1 . 1 1 13 13 GLY H H 13 8.270 8.270 7.830 0.440 18830 24 1 . 1 1 14 14 TRP HA H 14 4.531 4.531 4.785 -0.254 18830 25 1 . 1 1 14 14 TRP H H 14 8.538 8.538 7.772 0.766 18830 26 1 . 1 1 15 15 SER HA H 15 4.021 4.021 3.865 0.156 18830 27 1 . 1 1 15 15 SER H H 15 8.295 8.295 6.505 1.790 18830 28 1 . 1 1 16 16 SER HA H 16 4.297 4.297 4.137 0.160 18830 29 1 . 1 1 16 16 SER H H 16 7.974 7.974 7.979 -0.005 18830 30 1 . 1 1 17 17 PHE HA H 17 4.499 4.499 4.691 -0.192 18830 31 1 . 1 1 17 17 PHE H H 17 8.081 8.081 7.793 0.288 18830 32 1 . 1 1 18 18 THR HA H 18 4.059 4.059 3.843 0.216 18830 33 1 . 1 1 18 18 THR H H 18 7.887 7.887 8.072 -0.185 18830 34 1 . 1 1 19 19 THR HA H 19 4.323 4.323 3.968 0.355 18830 35 1 . 1 1 19 19 THR H H 19 7.743 7.743 7.987 -0.244 18830 36 1 . 1 1 20 20 GLY H H 20 8.031 8.031 8.247 -0.216 18830 37 1 . 1 1 21 21 ALA HA H 21 4.341 4.341 4.213 0.128 18830 38 1 . 1 1 21 21 ALA H H 21 7.932 7.932 7.551 0.381 18830 39 1 . 1 1 22 22 SER HA H 22 4.446 4.446 4.300 0.146 18830 40 1 . 1 1 22 22 SER H H 22 8.111 8.111 7.932 0.179 18830 stop_ save_