data_19702 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19702 _Entry.PDB_ID 2MJ2 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 19702 _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 TRP HA H 2 4.825 4.825 4.847 -0.022 19702 2 1 1 . 1 1 2 2 TRP H H 2 8.776 8.776 8.291 0.485 19702 3 1 1 . 1 1 3 3 SER HA H 3 4.315 4.315 4.666 -0.351 19702 4 1 1 . 1 1 3 3 SER H H 3 8.174 8.174 8.029 0.145 19702 5 1 1 . 1 1 4 4 GLY H H 4 7.499 7.499 8.781 -1.282 19702 6 1 1 . 1 1 5 5 THR HA H 5 4.143 4.143 4.240 -0.097 19702 7 1 1 . 1 1 5 5 THR H H 5 7.823 7.823 7.735 0.088 19702 8 1 1 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.618 -0.475 19702 9 1 1 . 1 1 6 6 LYS H H 6 8.040 8.040 8.412 -0.372 19702 10 1 1 . 1 1 7 7 LYS HA H 7 4.179 4.179 3.825 0.354 19702 11 1 1 . 1 1 7 7 LYS H H 7 7.897 7.897 7.808 0.089 19702 12 1 1 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.097 0.018 19702 13 1 1 . 1 1 8 8 ARG H H 8 7.884 7.884 8.445 -0.561 19702 14 1 1 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.094 0.025 19702 15 1 1 . 1 1 9 9 ALA H H 9 8.031 8.031 8.078 -0.047 19702 16 1 1 . 1 1 10 10 GLN HA H 10 4.043 4.043 3.937 0.106 19702 17 1 1 . 1 1 10 10 GLN H H 10 8.040 8.040 7.990 0.050 19702 18 1 1 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.887 0.190 19702 19 1 1 . 1 1 11 11 ARG H H 11 7.768 7.768 7.230 0.538 19702 20 1 1 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.454 0.459 19702 21 1 1 . 1 1 12 12 ILE H H 12 7.777 7.777 7.313 0.464 19702 22 1 1 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.889 0.253 19702 23 1 1 . 1 1 13 13 LEU H H 13 7.894 7.894 7.961 -0.067 19702 24 1 1 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.527 0.271 19702 25 1 1 . 1 1 14 14 ILE H H 14 7.832 7.832 7.265 0.567 19702 26 1 1 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.289 0.070 19702 27 1 1 . 1 1 15 15 PHE H H 15 7.691 7.691 7.191 0.500 19702 28 1 1 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.265 -0.169 19702 29 1 1 . 1 1 16 16 LEU H H 16 8.434 8.434 8.426 0.008 19702 30 1 1 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.044 0.062 19702 31 1 1 . 1 1 17 17 LEU H H 17 8.494 8.494 8.586 -0.092 19702 32 1 1 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.964 -0.022 19702 33 1 1 . 1 1 18 18 GLU H H 18 8.287 8.287 8.414 -0.127 19702 34 1 1 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.243 -0.016 19702 35 1 1 . 1 1 19 19 PHE H H 19 8.245 8.245 8.387 -0.142 19702 36 1 1 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.843 0.194 19702 37 1 1 . 1 1 20 20 LEU H H 20 8.611 8.611 8.380 0.231 19702 38 1 1 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.848 0.266 19702 39 1 1 . 1 1 21 21 LEU H H 21 8.567 8.567 8.342 0.225 19702 40 1 1 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.316 0.126 19702 41 1 1 . 1 1 22 22 ASP H H 22 8.181 8.181 8.016 0.165 19702 42 1 1 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.129 0.203 19702 43 1 1 . 1 1 23 23 PHE H H 23 8.327 8.327 8.124 0.203 19702 44 1 1 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.568 -0.273 19702 45 1 1 . 1 1 24 24 CYS H H 24 8.409 8.409 8.224 0.185 19702 46 1 1 . 1 1 25 25 THR HA H 25 4.295 4.295 4.312 -0.017 19702 47 1 1 . 1 1 25 25 THR H H 25 7.868 7.868 7.355 0.513 19702 48 1 1 . 1 1 26 26 GLY H H 26 7.948 7.948 7.816 0.132 19702 49 1 1 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.070 0.174 19702 50 1 1 . 1 1 27 27 GLU H H 27 8.036 8.036 8.608 -0.572 19702 51 1 1 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.556 0.135 19702 52 1 1 . 1 1 28 28 ASP H H 28 8.201 8.201 8.228 -0.027 19702 53 1 1 . 1 1 29 29 SER HA H 29 4.477 4.477 4.113 0.364 19702 54 1 1 . 1 1 29 29 SER H H 29 7.989 7.989 7.322 0.667 19702 55 1 1 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.354 -0.249 19702 56 1 1 . 1 1 30 30 VAL H H 30 7.950 7.950 8.537 -0.587 19702 57 1 1 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.698 -0.043 19702 58 1 1 . 1 1 31 31 ASP H H 31 8.182 8.182 8.675 -0.493 19702 59 1 1 . 1 1 32 32 GLY H H 32 8.124 8.124 8.167 -0.043 19702 60 1 1 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.039 0.308 19702 61 1 1 . 1 1 33 33 LYS H H 33 7.891 7.891 7.909 -0.018 19702 62 1 1 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.280 0.068 19702 63 1 1 . 1 1 34 34 LYS H H 34 8.049 8.049 8.538 -0.489 19702 64 1 1 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.159 0.206 19702 65 1 1 . 1 1 35 35 ARG H H 35 8.155 8.155 8.221 -0.066 19702 66 1 2 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.861 -0.036 19702 67 1 2 . 1 1 2 2 TRP H H 2 8.776 8.776 8.760 0.016 19702 68 1 2 . 1 1 3 3 SER HA H 3 4.315 4.315 4.479 -0.164 19702 69 1 2 . 1 1 3 3 SER H H 3 8.174 8.174 8.839 -0.665 19702 70 1 2 . 1 1 4 4 GLY H H 4 7.499 7.499 8.481 -0.982 19702 71 1 2 . 1 1 5 5 THR HA H 5 4.143 4.143 4.346 -0.203 19702 72 1 2 . 1 1 5 5 THR H H 5 7.823 7.823 7.854 -0.031 19702 73 1 2 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.220 -0.077 19702 74 1 2 . 1 1 6 6 LYS H H 6 8.040 8.040 8.661 -0.621 19702 75 1 2 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.280 -0.101 19702 76 1 2 . 1 1 7 7 LYS H H 7 7.897 7.897 8.228 -0.331 19702 77 1 2 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.005 0.110 19702 78 1 2 . 1 1 8 8 ARG H H 8 7.884 7.884 7.561 0.323 19702 79 1 2 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.224 -0.105 19702 80 1 2 . 1 1 9 9 ALA H H 9 8.031 8.031 8.211 -0.180 19702 81 1 2 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.089 -0.046 19702 82 1 2 . 1 1 10 10 GLN H H 10 8.040 8.040 7.728 0.312 19702 83 1 2 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.179 -0.102 19702 84 1 2 . 1 1 11 11 ARG H H 11 7.768 7.768 7.852 -0.084 19702 85 1 2 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.011 -0.098 19702 86 1 2 . 1 1 12 12 ILE H H 12 7.777 7.777 7.579 0.198 19702 87 1 2 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.045 0.096 19702 88 1 2 . 1 1 13 13 LEU H H 13 7.894 7.894 8.216 -0.322 19702 89 1 2 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.616 0.182 19702 90 1 2 . 1 1 14 14 ILE H H 14 7.832 7.832 7.552 0.280 19702 91 1 2 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.271 0.088 19702 92 1 2 . 1 1 15 15 PHE H H 15 7.691 7.691 7.361 0.330 19702 93 1 2 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.016 0.080 19702 94 1 2 . 1 1 16 16 LEU H H 16 8.434 8.434 8.516 -0.082 19702 95 1 2 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.912 0.194 19702 96 1 2 . 1 1 17 17 LEU H H 17 8.494 8.494 8.826 -0.332 19702 97 1 2 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.942 -0.000 19702 98 1 2 . 1 1 18 18 GLU H H 18 8.287 8.287 8.103 0.184 19702 99 1 2 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.284 -0.057 19702 100 1 2 . 1 1 19 19 PHE H H 19 8.245 8.245 7.966 0.279 19702 101 1 2 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.948 0.089 19702 102 1 2 . 1 1 20 20 LEU H H 20 8.611 8.611 8.770 -0.159 19702 103 1 2 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.048 0.066 19702 104 1 2 . 1 1 21 21 LEU H H 21 8.567 8.567 8.519 0.048 19702 105 1 2 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.361 0.081 19702 106 1 2 . 1 1 22 22 ASP H H 22 8.181 8.181 7.890 0.291 19702 107 1 2 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.151 0.181 19702 108 1 2 . 1 1 23 23 PHE H H 23 8.327 8.327 7.753 0.574 19702 109 1 2 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.142 0.153 19702 110 1 2 . 1 1 24 24 CYS H H 24 8.409 8.409 8.672 -0.263 19702 111 1 2 . 1 1 25 25 THR HA H 25 4.295 4.295 4.107 0.188 19702 112 1 2 . 1 1 25 25 THR H H 25 7.868 7.868 7.939 -0.071 19702 113 1 2 . 1 1 26 26 GLY H H 26 7.948 7.948 7.551 0.397 19702 114 1 2 . 1 1 27 27 GLU HA H 27 4.244 4.244 3.925 0.319 19702 115 1 2 . 1 1 27 27 GLU H H 27 8.036 8.036 7.357 0.679 19702 116 1 2 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.656 0.035 19702 117 1 2 . 1 1 28 28 ASP H H 28 8.201 8.201 8.379 -0.178 19702 118 1 2 . 1 1 29 29 SER HA H 29 4.477 4.477 4.602 -0.125 19702 119 1 2 . 1 1 29 29 SER H H 29 7.989 7.989 7.625 0.364 19702 120 1 2 . 1 1 30 30 VAL HA H 30 4.105 4.105 3.753 0.352 19702 121 1 2 . 1 1 30 30 VAL H H 30 7.950 7.950 8.340 -0.390 19702 122 1 2 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.500 0.155 19702 123 1 2 . 1 1 31 31 ASP H H 31 8.182 8.182 8.329 -0.147 19702 124 1 2 . 1 1 32 32 GLY H H 32 8.124 8.124 8.830 -0.706 19702 125 1 2 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.277 0.070 19702 126 1 2 . 1 1 33 33 LYS H H 33 7.891 7.891 8.330 -0.439 19702 127 1 2 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.407 -0.059 19702 128 1 2 . 1 1 34 34 LYS H H 34 8.049 8.049 8.088 -0.039 19702 129 1 2 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.343 0.022 19702 130 1 2 . 1 1 35 35 ARG H H 35 8.155 8.155 7.387 0.768 19702 131 1 3 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.322 0.503 19702 132 1 3 . 1 1 2 2 TRP H H 2 8.776 8.776 8.231 0.545 19702 133 1 3 . 1 1 3 3 SER HA H 3 4.315 4.315 4.682 -0.367 19702 134 1 3 . 1 1 3 3 SER H H 3 8.174 8.174 8.035 0.139 19702 135 1 3 . 1 1 4 4 GLY H H 4 7.499 7.499 8.003 -0.504 19702 136 1 3 . 1 1 5 5 THR HA H 5 4.143 4.143 4.072 0.071 19702 137 1 3 . 1 1 5 5 THR H H 5 7.823 7.823 8.227 -0.404 19702 138 1 3 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.182 -0.039 19702 139 1 3 . 1 1 6 6 LYS H H 6 8.040 8.040 8.444 -0.404 19702 140 1 3 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.247 -0.068 19702 141 1 3 . 1 1 7 7 LYS H H 7 7.897 7.897 7.476 0.421 19702 142 1 3 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.115 -0.000 19702 143 1 3 . 1 1 8 8 ARG H H 8 7.884 7.884 7.660 0.224 19702 144 1 3 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.140 -0.021 19702 145 1 3 . 1 1 9 9 ALA H H 9 8.031 8.031 7.563 0.468 19702 146 1 3 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.086 -0.043 19702 147 1 3 . 1 1 10 10 GLN H H 10 8.040 8.040 8.551 -0.511 19702 148 1 3 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.199 -0.122 19702 149 1 3 . 1 1 11 11 ARG H H 11 7.768 7.768 7.801 -0.033 19702 150 1 3 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.096 -0.183 19702 151 1 3 . 1 1 12 12 ILE H H 12 7.777 7.777 7.378 0.399 19702 152 1 3 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.100 0.041 19702 153 1 3 . 1 1 13 13 LEU H H 13 7.894 7.894 7.601 0.293 19702 154 1 3 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.543 0.255 19702 155 1 3 . 1 1 14 14 ILE H H 14 7.832 7.832 7.496 0.336 19702 156 1 3 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.204 0.155 19702 157 1 3 . 1 1 15 15 PHE H H 15 7.691 7.691 7.563 0.128 19702 158 1 3 . 1 1 16 16 LEU HA H 16 4.096 4.096 3.966 0.130 19702 159 1 3 . 1 1 16 16 LEU H H 16 8.434 8.434 8.825 -0.391 19702 160 1 3 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.909 0.197 19702 161 1 3 . 1 1 17 17 LEU H H 17 8.494 8.494 8.458 0.036 19702 162 1 3 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.919 0.023 19702 163 1 3 . 1 1 18 18 GLU H H 18 8.287 8.287 8.171 0.116 19702 164 1 3 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.283 -0.056 19702 165 1 3 . 1 1 19 19 PHE H H 19 8.245 8.245 8.417 -0.172 19702 166 1 3 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.079 -0.042 19702 167 1 3 . 1 1 20 20 LEU H H 20 8.611 8.611 8.846 -0.235 19702 168 1 3 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.906 0.208 19702 169 1 3 . 1 1 21 21 LEU H H 21 8.567 8.567 8.591 -0.024 19702 170 1 3 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.266 0.176 19702 171 1 3 . 1 1 22 22 ASP H H 22 8.181 8.181 7.889 0.292 19702 172 1 3 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.290 0.042 19702 173 1 3 . 1 1 23 23 PHE H H 23 8.327 8.327 8.470 -0.143 19702 174 1 3 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.058 0.237 19702 175 1 3 . 1 1 24 24 CYS H H 24 8.409 8.409 8.028 0.381 19702 176 1 3 . 1 1 25 25 THR HA H 25 4.295 4.295 4.259 0.036 19702 177 1 3 . 1 1 25 25 THR H H 25 7.868 7.868 7.617 0.251 19702 178 1 3 . 1 1 26 26 GLY H H 26 7.948 7.948 8.213 -0.265 19702 179 1 3 . 1 1 27 27 GLU HA H 27 4.244 4.244 3.832 0.412 19702 180 1 3 . 1 1 27 27 GLU H H 27 8.036 8.036 8.393 -0.357 19702 181 1 3 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.618 0.073 19702 182 1 3 . 1 1 28 28 ASP H H 28 8.201 8.201 8.255 -0.054 19702 183 1 3 . 1 1 29 29 SER HA H 29 4.477 4.477 4.576 -0.099 19702 184 1 3 . 1 1 29 29 SER H H 29 7.989 7.989 8.236 -0.247 19702 185 1 3 . 1 1 30 30 VAL HA H 30 4.105 4.105 3.778 0.327 19702 186 1 3 . 1 1 30 30 VAL H H 30 7.950 7.950 8.514 -0.564 19702 187 1 3 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.933 -0.278 19702 188 1 3 . 1 1 31 31 ASP H H 31 8.182 8.182 8.272 -0.090 19702 189 1 3 . 1 1 32 32 GLY H H 32 8.124 8.124 7.954 0.170 19702 190 1 3 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.078 0.269 19702 191 1 3 . 1 1 33 33 LYS H H 33 7.891 7.891 8.226 -0.335 19702 192 1 3 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.189 0.159 19702 193 1 3 . 1 1 34 34 LYS H H 34 8.049 8.049 8.198 -0.149 19702 194 1 3 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.602 -0.237 19702 195 1 3 . 1 1 35 35 ARG H H 35 8.155 8.155 8.545 -0.390 19702 196 1 4 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.716 0.109 19702 197 1 4 . 1 1 2 2 TRP H H 2 8.776 8.776 8.571 0.205 19702 198 1 4 . 1 1 3 3 SER HA H 3 4.315 4.315 4.609 -0.294 19702 199 1 4 . 1 1 3 3 SER H H 3 8.174 8.174 8.139 0.035 19702 200 1 4 . 1 1 4 4 GLY H H 4 7.499 7.499 8.418 -0.919 19702 201 1 4 . 1 1 5 5 THR HA H 5 4.143 4.143 4.110 0.033 19702 202 1 4 . 1 1 5 5 THR H H 5 7.823 7.823 8.195 -0.372 19702 203 1 4 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.534 -0.391 19702 204 1 4 . 1 1 6 6 LYS H H 6 8.040 8.040 8.204 -0.164 19702 205 1 4 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.169 0.010 19702 206 1 4 . 1 1 7 7 LYS H H 7 7.897 7.897 8.424 -0.527 19702 207 1 4 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.273 -0.158 19702 208 1 4 . 1 1 8 8 ARG H H 8 7.884 7.884 7.966 -0.082 19702 209 1 4 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.318 -0.199 19702 210 1 4 . 1 1 9 9 ALA H H 9 8.031 8.031 7.344 0.687 19702 211 1 4 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.077 -0.034 19702 212 1 4 . 1 1 10 10 GLN H H 10 8.040 8.040 8.605 -0.565 19702 213 1 4 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.233 -0.156 19702 214 1 4 . 1 1 11 11 ARG H H 11 7.768 7.768 7.782 -0.014 19702 215 1 4 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.132 -0.219 19702 216 1 4 . 1 1 12 12 ILE H H 12 7.777 7.777 7.580 0.197 19702 217 1 4 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.010 0.131 19702 218 1 4 . 1 1 13 13 LEU H H 13 7.894 7.894 7.667 0.227 19702 219 1 4 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.600 0.198 19702 220 1 4 . 1 1 14 14 ILE H H 14 7.832 7.832 7.477 0.355 19702 221 1 4 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.290 0.069 19702 222 1 4 . 1 1 15 15 PHE H H 15 7.691 7.691 7.731 -0.040 19702 223 1 4 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.016 0.080 19702 224 1 4 . 1 1 16 16 LEU H H 16 8.434 8.434 7.957 0.477 19702 225 1 4 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.974 0.132 19702 226 1 4 . 1 1 17 17 LEU H H 17 8.494 8.494 8.451 0.043 19702 227 1 4 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.958 -0.016 19702 228 1 4 . 1 1 18 18 GLU H H 18 8.287 8.287 8.273 0.014 19702 229 1 4 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.366 -0.139 19702 230 1 4 . 1 1 19 19 PHE H H 19 8.245 8.245 7.663 0.582 19702 231 1 4 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.071 -0.034 19702 232 1 4 . 1 1 20 20 LEU H H 20 8.611 8.611 8.659 -0.048 19702 233 1 4 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.311 -0.197 19702 234 1 4 . 1 1 21 21 LEU H H 21 8.567 8.567 8.178 0.389 19702 235 1 4 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.474 -0.032 19702 236 1 4 . 1 1 22 22 ASP H H 22 8.181 8.181 7.568 0.613 19702 237 1 4 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.153 0.179 19702 238 1 4 . 1 1 23 23 PHE H H 23 8.327 8.327 8.557 -0.230 19702 239 1 4 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.067 0.228 19702 240 1 4 . 1 1 24 24 CYS H H 24 8.409 8.409 7.871 0.538 19702 241 1 4 . 1 1 25 25 THR HA H 25 4.295 4.295 4.228 0.067 19702 242 1 4 . 1 1 25 25 THR H H 25 7.868 7.868 7.436 0.432 19702 243 1 4 . 1 1 26 26 GLY H H 26 7.948 7.948 7.707 0.241 19702 244 1 4 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.237 0.007 19702 245 1 4 . 1 1 27 27 GLU H H 27 8.036 8.036 8.480 -0.444 19702 246 1 4 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.644 0.047 19702 247 1 4 . 1 1 28 28 ASP H H 28 8.201 8.201 8.059 0.142 19702 248 1 4 . 1 1 29 29 SER HA H 29 4.477 4.477 4.889 -0.412 19702 249 1 4 . 1 1 29 29 SER H H 29 7.989 7.989 8.619 -0.630 19702 250 1 4 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.192 -0.087 19702 251 1 4 . 1 1 30 30 VAL H H 30 7.950 7.950 8.279 -0.329 19702 252 1 4 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.721 -0.066 19702 253 1 4 . 1 1 31 31 ASP H H 31 8.182 8.182 8.173 0.009 19702 254 1 4 . 1 1 32 32 GLY H H 32 8.124 8.124 8.760 -0.636 19702 255 1 4 . 1 1 33 33 LYS HA H 33 4.347 4.347 3.918 0.429 19702 256 1 4 . 1 1 33 33 LYS H H 33 7.891 7.891 8.243 -0.352 19702 257 1 4 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.080 0.268 19702 258 1 4 . 1 1 34 34 LYS H H 34 8.049 8.049 8.329 -0.280 19702 259 1 4 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.551 -0.186 19702 260 1 4 . 1 1 35 35 ARG H H 35 8.155 8.155 8.015 0.140 19702 261 1 5 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.872 -0.047 19702 262 1 5 . 1 1 2 2 TRP H H 2 8.776 8.776 8.569 0.207 19702 263 1 5 . 1 1 3 3 SER HA H 3 4.315 4.315 4.618 -0.303 19702 264 1 5 . 1 1 3 3 SER H H 3 8.174 8.174 8.689 -0.515 19702 265 1 5 . 1 1 4 4 GLY H H 4 7.499 7.499 8.892 -1.393 19702 266 1 5 . 1 1 5 5 THR HA H 5 4.143 4.143 4.149 -0.006 19702 267 1 5 . 1 1 5 5 THR H H 5 7.823 7.823 8.149 -0.326 19702 268 1 5 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.400 -0.257 19702 269 1 5 . 1 1 6 6 LYS H H 6 8.040 8.040 8.666 -0.626 19702 270 1 5 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.044 0.135 19702 271 1 5 . 1 1 7 7 LYS H H 7 7.897 7.897 8.389 -0.492 19702 272 1 5 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.164 -0.049 19702 273 1 5 . 1 1 8 8 ARG H H 8 7.884 7.884 7.863 0.021 19702 274 1 5 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.307 -0.188 19702 275 1 5 . 1 1 9 9 ALA H H 9 8.031 8.031 7.328 0.703 19702 276 1 5 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.088 -0.045 19702 277 1 5 . 1 1 10 10 GLN H H 10 8.040 8.040 8.252 -0.212 19702 278 1 5 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.933 0.144 19702 279 1 5 . 1 1 11 11 ARG H H 11 7.768 7.768 7.938 -0.170 19702 280 1 5 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.697 0.216 19702 281 1 5 . 1 1 12 12 ILE H H 12 7.777 7.777 7.057 0.720 19702 282 1 5 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.969 0.172 19702 283 1 5 . 1 1 13 13 LEU H H 13 7.894 7.894 7.547 0.347 19702 284 1 5 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.538 0.260 19702 285 1 5 . 1 1 14 14 ILE H H 14 7.832 7.832 7.170 0.662 19702 286 1 5 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.635 -0.276 19702 287 1 5 . 1 1 15 15 PHE H H 15 7.691 7.691 7.103 0.588 19702 288 1 5 . 1 1 16 16 LEU HA H 16 4.096 4.096 3.977 0.119 19702 289 1 5 . 1 1 16 16 LEU H H 16 8.434 8.434 8.774 -0.340 19702 290 1 5 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.890 0.216 19702 291 1 5 . 1 1 17 17 LEU H H 17 8.494 8.494 8.475 0.019 19702 292 1 5 . 1 1 18 18 GLU HA H 18 3.942 3.942 4.016 -0.074 19702 293 1 5 . 1 1 18 18 GLU H H 18 8.287 8.287 8.479 -0.192 19702 294 1 5 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.342 -0.115 19702 295 1 5 . 1 1 19 19 PHE H H 19 8.245 8.245 7.773 0.472 19702 296 1 5 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.941 0.096 19702 297 1 5 . 1 1 20 20 LEU H H 20 8.611 8.611 8.712 -0.101 19702 298 1 5 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.071 0.043 19702 299 1 5 . 1 1 21 21 LEU H H 21 8.567 8.567 8.327 0.240 19702 300 1 5 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.281 0.161 19702 301 1 5 . 1 1 22 22 ASP H H 22 8.181 8.181 7.502 0.679 19702 302 1 5 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.034 0.298 19702 303 1 5 . 1 1 23 23 PHE H H 23 8.327 8.327 8.218 0.109 19702 304 1 5 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.077 0.218 19702 305 1 5 . 1 1 24 24 CYS H H 24 8.409 8.409 8.400 0.009 19702 306 1 5 . 1 1 25 25 THR HA H 25 4.295 4.295 4.258 0.037 19702 307 1 5 . 1 1 25 25 THR H H 25 7.868 7.868 8.200 -0.332 19702 308 1 5 . 1 1 26 26 GLY H H 26 7.948 7.948 7.466 0.482 19702 309 1 5 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.003 0.241 19702 310 1 5 . 1 1 27 27 GLU H H 27 8.036 8.036 8.590 -0.554 19702 311 1 5 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.605 0.086 19702 312 1 5 . 1 1 28 28 ASP H H 28 8.201 8.201 8.150 0.051 19702 313 1 5 . 1 1 29 29 SER HA H 29 4.477 4.477 4.084 0.393 19702 314 1 5 . 1 1 29 29 SER H H 29 7.989 7.989 7.809 0.180 19702 315 1 5 . 1 1 30 30 VAL HA H 30 4.105 4.105 3.777 0.328 19702 316 1 5 . 1 1 30 30 VAL H H 30 7.950 7.950 8.706 -0.756 19702 317 1 5 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.491 0.164 19702 318 1 5 . 1 1 31 31 ASP H H 31 8.182 8.182 8.211 -0.029 19702 319 1 5 . 1 1 32 32 GLY H H 32 8.124 8.124 8.601 -0.477 19702 320 1 5 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.496 -0.149 19702 321 1 5 . 1 1 33 33 LYS H H 33 7.891 7.891 8.002 -0.111 19702 322 1 5 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.299 0.049 19702 323 1 5 . 1 1 34 34 LYS H H 34 8.049 8.049 8.191 -0.141 19702 324 1 5 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.514 -0.149 19702 325 1 5 . 1 1 35 35 ARG H H 35 8.155 8.155 8.342 -0.187 19702 326 1 6 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.833 -0.008 19702 327 1 6 . 1 1 2 2 TRP H H 2 8.776 8.776 8.428 0.348 19702 328 1 6 . 1 1 3 3 SER HA H 3 4.315 4.315 4.350 -0.035 19702 329 1 6 . 1 1 3 3 SER H H 3 8.174 8.174 8.691 -0.517 19702 330 1 6 . 1 1 4 4 GLY H H 4 7.499 7.499 8.522 -1.023 19702 331 1 6 . 1 1 5 5 THR HA H 5 4.143 4.143 3.952 0.191 19702 332 1 6 . 1 1 5 5 THR H H 5 7.823 7.823 8.204 -0.381 19702 333 1 6 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.349 -0.206 19702 334 1 6 . 1 1 6 6 LYS H H 6 8.040 8.040 8.434 -0.394 19702 335 1 6 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.424 -0.245 19702 336 1 6 . 1 1 7 7 LYS H H 7 7.897 7.897 7.699 0.198 19702 337 1 6 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.265 -0.150 19702 338 1 6 . 1 1 8 8 ARG H H 8 7.884 7.884 8.790 -0.906 19702 339 1 6 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.095 0.024 19702 340 1 6 . 1 1 9 9 ALA H H 9 8.031 8.031 7.828 0.203 19702 341 1 6 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.098 -0.055 19702 342 1 6 . 1 1 10 10 GLN H H 10 8.040 8.040 7.843 0.197 19702 343 1 6 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.419 -0.342 19702 344 1 6 . 1 1 11 11 ARG H H 11 7.768 7.768 7.656 0.112 19702 345 1 6 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.936 -0.023 19702 346 1 6 . 1 1 12 12 ILE H H 12 7.777 7.777 8.620 -0.843 19702 347 1 6 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.060 0.081 19702 348 1 6 . 1 1 13 13 LEU H H 13 7.894 7.894 8.079 -0.185 19702 349 1 6 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.670 0.128 19702 350 1 6 . 1 1 14 14 ILE H H 14 7.832 7.832 7.810 0.022 19702 351 1 6 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.344 0.015 19702 352 1 6 . 1 1 15 15 PHE H H 15 7.691 7.691 7.634 0.057 19702 353 1 6 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.306 -0.210 19702 354 1 6 . 1 1 16 16 LEU H H 16 8.434 8.434 8.736 -0.302 19702 355 1 6 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.983 0.123 19702 356 1 6 . 1 1 17 17 LEU H H 17 8.494 8.494 8.327 0.167 19702 357 1 6 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.899 0.043 19702 358 1 6 . 1 1 18 18 GLU H H 18 8.287 8.287 8.306 -0.019 19702 359 1 6 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.248 -0.021 19702 360 1 6 . 1 1 19 19 PHE H H 19 8.245 8.245 8.293 -0.048 19702 361 1 6 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.885 0.152 19702 362 1 6 . 1 1 20 20 LEU H H 20 8.611 8.611 8.425 0.186 19702 363 1 6 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.100 0.014 19702 364 1 6 . 1 1 21 21 LEU H H 21 8.567 8.567 7.778 0.789 19702 365 1 6 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.414 0.028 19702 366 1 6 . 1 1 22 22 ASP H H 22 8.181 8.181 8.086 0.095 19702 367 1 6 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.070 0.262 19702 368 1 6 . 1 1 23 23 PHE H H 23 8.327 8.327 8.436 -0.109 19702 369 1 6 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.199 0.096 19702 370 1 6 . 1 1 24 24 CYS H H 24 8.409 8.409 8.168 0.241 19702 371 1 6 . 1 1 25 25 THR HA H 25 4.295 4.295 4.175 0.120 19702 372 1 6 . 1 1 25 25 THR H H 25 7.868 7.868 7.151 0.717 19702 373 1 6 . 1 1 26 26 GLY H H 26 7.948 7.948 7.652 0.296 19702 374 1 6 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.162 0.082 19702 375 1 6 . 1 1 27 27 GLU H H 27 8.036 8.036 8.294 -0.258 19702 376 1 6 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.710 -0.019 19702 377 1 6 . 1 1 28 28 ASP H H 28 8.201 8.201 8.133 0.068 19702 378 1 6 . 1 1 29 29 SER HA H 29 4.477 4.477 4.571 -0.094 19702 379 1 6 . 1 1 29 29 SER H H 29 7.989 7.989 7.982 0.007 19702 380 1 6 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.304 -0.199 19702 381 1 6 . 1 1 30 30 VAL H H 30 7.950 7.950 8.390 -0.440 19702 382 1 6 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.652 0.003 19702 383 1 6 . 1 1 31 31 ASP H H 31 8.182 8.182 8.181 0.001 19702 384 1 6 . 1 1 32 32 GLY H H 32 8.124 8.124 8.319 -0.195 19702 385 1 6 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.465 -0.118 19702 386 1 6 . 1 1 33 33 LYS H H 33 7.891 7.891 8.292 -0.401 19702 387 1 6 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.335 0.013 19702 388 1 6 . 1 1 34 34 LYS H H 34 8.049 8.049 8.048 0.001 19702 389 1 6 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.058 0.307 19702 390 1 6 . 1 1 35 35 ARG H H 35 8.155 8.155 8.256 -0.101 19702 391 1 7 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.543 0.282 19702 392 1 7 . 1 1 2 2 TRP H H 2 8.776 8.776 8.374 0.402 19702 393 1 7 . 1 1 3 3 SER HA H 3 4.315 4.315 4.542 -0.227 19702 394 1 7 . 1 1 3 3 SER H H 3 8.174 8.174 8.150 0.024 19702 395 1 7 . 1 1 4 4 GLY H H 4 7.499 7.499 7.663 -0.164 19702 396 1 7 . 1 1 5 5 THR HA H 5 4.143 4.143 4.020 0.123 19702 397 1 7 . 1 1 5 5 THR H H 5 7.823 7.823 8.167 -0.344 19702 398 1 7 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.127 0.016 19702 399 1 7 . 1 1 6 6 LYS H H 6 8.040 8.040 8.555 -0.515 19702 400 1 7 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.080 0.099 19702 401 1 7 . 1 1 7 7 LYS H H 7 7.897 7.897 8.308 -0.411 19702 402 1 7 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.186 -0.071 19702 403 1 7 . 1 1 8 8 ARG H H 8 7.884 7.884 7.399 0.485 19702 404 1 7 . 1 1 9 9 ALA HA H 9 4.119 4.119 3.957 0.162 19702 405 1 7 . 1 1 9 9 ALA H H 9 8.031 8.031 8.008 0.023 19702 406 1 7 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.004 0.039 19702 407 1 7 . 1 1 10 10 GLN H H 10 8.040 8.040 8.456 -0.416 19702 408 1 7 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.185 -0.108 19702 409 1 7 . 1 1 11 11 ARG H H 11 7.768 7.768 7.764 0.004 19702 410 1 7 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.101 -0.188 19702 411 1 7 . 1 1 12 12 ILE H H 12 7.777 7.777 7.816 -0.039 19702 412 1 7 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.060 0.081 19702 413 1 7 . 1 1 13 13 LEU H H 13 7.894 7.894 7.589 0.305 19702 414 1 7 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.524 0.274 19702 415 1 7 . 1 1 14 14 ILE H H 14 7.832 7.832 7.178 0.654 19702 416 1 7 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.244 0.115 19702 417 1 7 . 1 1 15 15 PHE H H 15 7.691 7.691 7.576 0.115 19702 418 1 7 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.268 -0.172 19702 419 1 7 . 1 1 16 16 LEU H H 16 8.434 8.434 8.724 -0.290 19702 420 1 7 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.019 0.087 19702 421 1 7 . 1 1 17 17 LEU H H 17 8.494 8.494 8.110 0.384 19702 422 1 7 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.971 -0.029 19702 423 1 7 . 1 1 18 18 GLU H H 18 8.287 8.287 8.458 -0.171 19702 424 1 7 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.245 -0.018 19702 425 1 7 . 1 1 19 19 PHE H H 19 8.245 8.245 8.365 -0.120 19702 426 1 7 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.909 0.128 19702 427 1 7 . 1 1 20 20 LEU H H 20 8.611 8.611 8.283 0.328 19702 428 1 7 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.937 0.177 19702 429 1 7 . 1 1 21 21 LEU H H 21 8.567 8.567 7.864 0.703 19702 430 1 7 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.336 0.106 19702 431 1 7 . 1 1 22 22 ASP H H 22 8.181 8.181 8.356 -0.175 19702 432 1 7 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.134 0.198 19702 433 1 7 . 1 1 23 23 PHE H H 23 8.327 8.327 8.269 0.058 19702 434 1 7 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.573 -0.278 19702 435 1 7 . 1 1 24 24 CYS H H 24 8.409 8.409 7.394 1.015 19702 436 1 7 . 1 1 25 25 THR HA H 25 4.295 4.295 4.396 -0.101 19702 437 1 7 . 1 1 25 25 THR H H 25 7.868 7.868 7.262 0.606 19702 438 1 7 . 1 1 26 26 GLY H H 26 7.948 7.948 8.893 -0.945 19702 439 1 7 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.144 0.100 19702 440 1 7 . 1 1 27 27 GLU H H 27 8.036 8.036 8.280 -0.244 19702 441 1 7 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.584 0.107 19702 442 1 7 . 1 1 28 28 ASP H H 28 8.201 8.201 7.557 0.644 19702 443 1 7 . 1 1 29 29 SER HA H 29 4.477 4.477 4.434 0.043 19702 444 1 7 . 1 1 29 29 SER H H 29 7.989 7.989 8.155 -0.166 19702 445 1 7 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.203 -0.098 19702 446 1 7 . 1 1 30 30 VAL H H 30 7.950 7.950 8.486 -0.536 19702 447 1 7 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.694 -0.039 19702 448 1 7 . 1 1 31 31 ASP H H 31 8.182 8.182 8.036 0.146 19702 449 1 7 . 1 1 32 32 GLY H H 32 8.124 8.124 8.653 -0.529 19702 450 1 7 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.204 0.143 19702 451 1 7 . 1 1 33 33 LYS H H 33 7.891 7.891 7.920 -0.029 19702 452 1 7 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.230 0.118 19702 453 1 7 . 1 1 34 34 LYS H H 34 8.049 8.049 8.118 -0.069 19702 454 1 7 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.286 0.079 19702 455 1 7 . 1 1 35 35 ARG H H 35 8.155 8.155 7.182 0.973 19702 456 1 8 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.565 0.260 19702 457 1 8 . 1 1 2 2 TRP H H 2 8.776 8.776 8.786 -0.010 19702 458 1 8 . 1 1 3 3 SER HA H 3 4.315 4.315 4.193 0.122 19702 459 1 8 . 1 1 3 3 SER H H 3 8.174 8.174 8.842 -0.668 19702 460 1 8 . 1 1 4 4 GLY H H 4 7.499 7.499 7.904 -0.405 19702 461 1 8 . 1 1 5 5 THR HA H 5 4.143 4.143 3.993 0.150 19702 462 1 8 . 1 1 5 5 THR H H 5 7.823 7.823 7.909 -0.086 19702 463 1 8 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.503 -0.360 19702 464 1 8 . 1 1 6 6 LYS H H 6 8.040 8.040 8.384 -0.344 19702 465 1 8 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.530 -0.351 19702 466 1 8 . 1 1 7 7 LYS H H 7 7.897 7.897 7.435 0.462 19702 467 1 8 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.228 -0.113 19702 468 1 8 . 1 1 8 8 ARG H H 8 7.884 7.884 8.122 -0.238 19702 469 1 8 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.282 -0.163 19702 470 1 8 . 1 1 9 9 ALA H H 9 8.031 8.031 8.386 -0.355 19702 471 1 8 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.159 -0.116 19702 472 1 8 . 1 1 10 10 GLN H H 10 8.040 8.040 8.615 -0.575 19702 473 1 8 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.266 -0.189 19702 474 1 8 . 1 1 11 11 ARG H H 11 7.768 7.768 7.397 0.371 19702 475 1 8 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.083 -0.170 19702 476 1 8 . 1 1 12 12 ILE H H 12 7.777 7.777 7.253 0.524 19702 477 1 8 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.068 0.073 19702 478 1 8 . 1 1 13 13 LEU H H 13 7.894 7.894 7.610 0.284 19702 479 1 8 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.546 0.252 19702 480 1 8 . 1 1 14 14 ILE H H 14 7.832 7.832 7.397 0.435 19702 481 1 8 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.298 0.061 19702 482 1 8 . 1 1 15 15 PHE H H 15 7.691 7.691 7.554 0.137 19702 483 1 8 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.243 -0.147 19702 484 1 8 . 1 1 16 16 LEU H H 16 8.434 8.434 8.641 -0.207 19702 485 1 8 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.005 0.101 19702 486 1 8 . 1 1 17 17 LEU H H 17 8.494 8.494 8.511 -0.017 19702 487 1 8 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.949 -0.007 19702 488 1 8 . 1 1 18 18 GLU H H 18 8.287 8.287 8.037 0.250 19702 489 1 8 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.242 -0.015 19702 490 1 8 . 1 1 19 19 PHE H H 19 8.245 8.245 8.296 -0.051 19702 491 1 8 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.049 -0.012 19702 492 1 8 . 1 1 20 20 LEU H H 20 8.611 8.611 8.539 0.072 19702 493 1 8 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.863 0.251 19702 494 1 8 . 1 1 21 21 LEU H H 21 8.567 8.567 8.016 0.551 19702 495 1 8 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.389 0.053 19702 496 1 8 . 1 1 22 22 ASP H H 22 8.181 8.181 8.090 0.091 19702 497 1 8 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.085 0.247 19702 498 1 8 . 1 1 23 23 PHE H H 23 8.327 8.327 8.193 0.134 19702 499 1 8 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.290 0.005 19702 500 1 8 . 1 1 24 24 CYS H H 24 8.409 8.409 7.915 0.494 19702 501 1 8 . 1 1 25 25 THR HA H 25 4.295 4.295 4.251 0.044 19702 502 1 8 . 1 1 25 25 THR H H 25 7.868 7.868 7.398 0.470 19702 503 1 8 . 1 1 26 26 GLY H H 26 7.948 7.948 8.083 -0.135 19702 504 1 8 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.103 0.141 19702 505 1 8 . 1 1 27 27 GLU H H 27 8.036 8.036 8.576 -0.540 19702 506 1 8 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.573 0.118 19702 507 1 8 . 1 1 28 28 ASP H H 28 8.201 8.201 7.785 0.416 19702 508 1 8 . 1 1 29 29 SER HA H 29 4.477 4.477 3.950 0.527 19702 509 1 8 . 1 1 29 29 SER H H 29 7.989 7.989 7.638 0.351 19702 510 1 8 . 1 1 30 30 VAL HA H 30 4.105 4.105 3.761 0.344 19702 511 1 8 . 1 1 30 30 VAL H H 30 7.950 7.950 8.246 -0.296 19702 512 1 8 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.449 0.206 19702 513 1 8 . 1 1 31 31 ASP H H 31 8.182 8.182 8.237 -0.055 19702 514 1 8 . 1 1 32 32 GLY H H 32 8.124 8.124 8.637 -0.513 19702 515 1 8 . 1 1 33 33 LYS HA H 33 4.347 4.347 3.899 0.448 19702 516 1 8 . 1 1 33 33 LYS H H 33 7.891 7.891 8.131 -0.240 19702 517 1 8 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.298 0.050 19702 518 1 8 . 1 1 34 34 LYS H H 34 8.049 8.049 8.311 -0.262 19702 519 1 8 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.473 -0.108 19702 520 1 8 . 1 1 35 35 ARG H H 35 8.155 8.155 8.812 -0.656 19702 521 1 9 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.722 0.103 19702 522 1 9 . 1 1 2 2 TRP H H 2 8.776 8.776 8.583 0.193 19702 523 1 9 . 1 1 3 3 SER HA H 3 4.315 4.315 4.659 -0.344 19702 524 1 9 . 1 1 3 3 SER H H 3 8.174 8.174 8.388 -0.214 19702 525 1 9 . 1 1 4 4 GLY H H 4 7.499 7.499 7.639 -0.140 19702 526 1 9 . 1 1 5 5 THR HA H 5 4.143 4.143 3.964 0.179 19702 527 1 9 . 1 1 5 5 THR H H 5 7.823 7.823 8.383 -0.560 19702 528 1 9 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.368 -0.225 19702 529 1 9 . 1 1 6 6 LYS H H 6 8.040 8.040 8.212 -0.172 19702 530 1 9 . 1 1 7 7 LYS HA H 7 4.179 4.179 3.998 0.181 19702 531 1 9 . 1 1 7 7 LYS H H 7 7.897 7.897 8.307 -0.410 19702 532 1 9 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.110 0.005 19702 533 1 9 . 1 1 8 8 ARG H H 8 7.884 7.884 7.612 0.272 19702 534 1 9 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.255 -0.136 19702 535 1 9 . 1 1 9 9 ALA H H 9 8.031 8.031 7.556 0.475 19702 536 1 9 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.091 -0.048 19702 537 1 9 . 1 1 10 10 GLN H H 10 8.040 8.040 7.892 0.148 19702 538 1 9 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.078 -0.001 19702 539 1 9 . 1 1 11 11 ARG H H 11 7.768 7.768 7.827 -0.059 19702 540 1 9 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.827 0.086 19702 541 1 9 . 1 1 12 12 ILE H H 12 7.777 7.777 7.151 0.626 19702 542 1 9 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.969 0.172 19702 543 1 9 . 1 1 13 13 LEU H H 13 7.894 7.894 7.374 0.520 19702 544 1 9 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.627 0.171 19702 545 1 9 . 1 1 14 14 ILE H H 14 7.832 7.832 7.115 0.717 19702 546 1 9 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.588 -0.229 19702 547 1 9 . 1 1 15 15 PHE H H 15 7.691 7.691 6.823 0.868 19702 548 1 9 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.030 0.066 19702 549 1 9 . 1 1 16 16 LEU H H 16 8.434 8.434 8.162 0.272 19702 550 1 9 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.880 0.226 19702 551 1 9 . 1 1 17 17 LEU H H 17 8.494 8.494 8.679 -0.185 19702 552 1 9 . 1 1 18 18 GLU HA H 18 3.942 3.942 4.047 -0.105 19702 553 1 9 . 1 1 18 18 GLU H H 18 8.287 8.287 8.387 -0.100 19702 554 1 9 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.460 -0.233 19702 555 1 9 . 1 1 19 19 PHE H H 19 8.245 8.245 7.505 0.740 19702 556 1 9 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.741 0.296 19702 557 1 9 . 1 1 20 20 LEU H H 20 8.611 8.611 8.747 -0.136 19702 558 1 9 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.058 0.056 19702 559 1 9 . 1 1 21 21 LEU H H 21 8.567 8.567 8.678 -0.111 19702 560 1 9 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.392 0.050 19702 561 1 9 . 1 1 22 22 ASP H H 22 8.181 8.181 7.409 0.772 19702 562 1 9 . 1 1 23 23 PHE HA H 23 4.332 4.332 3.918 0.414 19702 563 1 9 . 1 1 23 23 PHE H H 23 8.327 8.327 8.073 0.254 19702 564 1 9 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.214 0.081 19702 565 1 9 . 1 1 24 24 CYS H H 24 8.409 8.409 8.731 -0.322 19702 566 1 9 . 1 1 25 25 THR HA H 25 4.295 4.295 4.434 -0.139 19702 567 1 9 . 1 1 25 25 THR H H 25 7.868 7.868 7.954 -0.086 19702 568 1 9 . 1 1 26 26 GLY H H 26 7.948 7.948 7.457 0.491 19702 569 1 9 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.231 0.013 19702 570 1 9 . 1 1 27 27 GLU H H 27 8.036 8.036 9.082 -1.046 19702 571 1 9 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.530 0.161 19702 572 1 9 . 1 1 28 28 ASP H H 28 8.201 8.201 8.438 -0.237 19702 573 1 9 . 1 1 29 29 SER HA H 29 4.477 4.477 4.577 -0.100 19702 574 1 9 . 1 1 29 29 SER H H 29 7.989 7.989 7.709 0.280 19702 575 1 9 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.430 -0.325 19702 576 1 9 . 1 1 30 30 VAL H H 30 7.950 7.950 8.432 -0.482 19702 577 1 9 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.911 -0.256 19702 578 1 9 . 1 1 31 31 ASP H H 31 8.182 8.182 8.079 0.103 19702 579 1 9 . 1 1 32 32 GLY H H 32 8.124 8.124 8.445 -0.321 19702 580 1 9 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.137 0.210 19702 581 1 9 . 1 1 33 33 LYS H H 33 7.891 7.891 8.240 -0.349 19702 582 1 9 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.218 0.130 19702 583 1 9 . 1 1 34 34 LYS H H 34 8.049 8.049 8.276 -0.227 19702 584 1 9 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.472 -0.107 19702 585 1 9 . 1 1 35 35 ARG H H 35 8.155 8.155 8.079 0.076 19702 586 1 10 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.895 -0.070 19702 587 1 10 . 1 1 2 2 TRP H H 2 8.776 8.776 8.467 0.309 19702 588 1 10 . 1 1 3 3 SER HA H 3 4.315 4.315 4.564 -0.249 19702 589 1 10 . 1 1 3 3 SER H H 3 8.174 8.174 8.977 -0.803 19702 590 1 10 . 1 1 4 4 GLY H H 4 7.499 7.499 8.391 -0.892 19702 591 1 10 . 1 1 5 5 THR HA H 5 4.143 4.143 4.311 -0.168 19702 592 1 10 . 1 1 5 5 THR H H 5 7.823 7.823 7.844 -0.021 19702 593 1 10 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.600 -0.457 19702 594 1 10 . 1 1 6 6 LYS H H 6 8.040 8.040 8.471 -0.431 19702 595 1 10 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.134 0.045 19702 596 1 10 . 1 1 7 7 LYS H H 7 7.897 7.897 8.401 -0.504 19702 597 1 10 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.356 -0.241 19702 598 1 10 . 1 1 8 8 ARG H H 8 7.884 7.884 8.172 -0.288 19702 599 1 10 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.132 -0.013 19702 600 1 10 . 1 1 9 9 ALA H H 9 8.031 8.031 8.118 -0.087 19702 601 1 10 . 1 1 10 10 GLN HA H 10 4.043 4.043 3.938 0.105 19702 602 1 10 . 1 1 10 10 GLN H H 10 8.040 8.040 8.576 -0.536 19702 603 1 10 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.878 0.199 19702 604 1 10 . 1 1 11 11 ARG H H 11 7.768 7.768 7.419 0.349 19702 605 1 10 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.351 0.562 19702 606 1 10 . 1 1 12 12 ILE H H 12 7.777 7.777 6.957 0.820 19702 607 1 10 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.915 0.226 19702 608 1 10 . 1 1 13 13 LEU H H 13 7.894 7.894 7.740 0.154 19702 609 1 10 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.721 0.077 19702 610 1 10 . 1 1 14 14 ILE H H 14 7.832 7.832 7.500 0.332 19702 611 1 10 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.679 -0.320 19702 612 1 10 . 1 1 15 15 PHE H H 15 7.691 7.691 7.550 0.141 19702 613 1 10 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.256 -0.160 19702 614 1 10 . 1 1 16 16 LEU H H 16 8.434 8.434 8.590 -0.156 19702 615 1 10 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.930 0.176 19702 616 1 10 . 1 1 17 17 LEU H H 17 8.494 8.494 8.149 0.345 19702 617 1 10 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.990 -0.048 19702 618 1 10 . 1 1 18 18 GLU H H 18 8.287 8.287 8.422 -0.135 19702 619 1 10 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.211 0.016 19702 620 1 10 . 1 1 19 19 PHE H H 19 8.245 8.245 8.237 0.008 19702 621 1 10 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.183 -0.146 19702 622 1 10 . 1 1 20 20 LEU H H 20 8.611 8.611 8.272 0.339 19702 623 1 10 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.004 0.110 19702 624 1 10 . 1 1 21 21 LEU H H 21 8.567 8.567 7.166 1.401 19702 625 1 10 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.285 0.157 19702 626 1 10 . 1 1 22 22 ASP H H 22 8.181 8.181 7.898 0.283 19702 627 1 10 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.130 0.202 19702 628 1 10 . 1 1 23 23 PHE H H 23 8.327 8.327 8.339 -0.012 19702 629 1 10 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.160 0.135 19702 630 1 10 . 1 1 24 24 CYS H H 24 8.409 8.409 7.907 0.502 19702 631 1 10 . 1 1 25 25 THR HA H 25 4.295 4.295 4.298 -0.003 19702 632 1 10 . 1 1 25 25 THR H H 25 7.868 7.868 7.252 0.616 19702 633 1 10 . 1 1 26 26 GLY H H 26 7.948 7.948 8.362 -0.414 19702 634 1 10 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.204 0.040 19702 635 1 10 . 1 1 27 27 GLU H H 27 8.036 8.036 7.741 0.295 19702 636 1 10 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.666 0.025 19702 637 1 10 . 1 1 28 28 ASP H H 28 8.201 8.201 8.184 0.017 19702 638 1 10 . 1 1 29 29 SER HA H 29 4.477 4.477 4.381 0.096 19702 639 1 10 . 1 1 29 29 SER H H 29 7.989 7.989 8.172 -0.183 19702 640 1 10 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.314 -0.209 19702 641 1 10 . 1 1 30 30 VAL H H 30 7.950 7.950 8.429 -0.479 19702 642 1 10 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.322 0.333 19702 643 1 10 . 1 1 31 31 ASP H H 31 8.182 8.182 8.119 0.063 19702 644 1 10 . 1 1 32 32 GLY H H 32 8.124 8.124 9.034 -0.910 19702 645 1 10 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.667 -0.320 19702 646 1 10 . 1 1 33 33 LYS H H 33 7.891 7.891 8.122 -0.231 19702 647 1 10 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.491 -0.143 19702 648 1 10 . 1 1 34 34 LYS H H 34 8.049 8.049 8.198 -0.149 19702 649 1 10 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.349 0.016 19702 650 1 10 . 1 1 35 35 ARG H H 35 8.155 8.155 8.800 -0.645 19702 651 1 11 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.852 -0.027 19702 652 1 11 . 1 1 2 2 TRP H H 2 8.776 8.776 8.521 0.255 19702 653 1 11 . 1 1 3 3 SER HA H 3 4.315 4.315 4.164 0.151 19702 654 1 11 . 1 1 3 3 SER H H 3 8.174 8.174 7.621 0.553 19702 655 1 11 . 1 1 4 4 GLY H H 4 7.499 7.499 8.088 -0.589 19702 656 1 11 . 1 1 5 5 THR HA H 5 4.143 4.143 4.208 -0.065 19702 657 1 11 . 1 1 5 5 THR H H 5 7.823 7.823 8.540 -0.717 19702 658 1 11 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.663 -0.520 19702 659 1 11 . 1 1 6 6 LYS H H 6 8.040 8.040 8.439 -0.399 19702 660 1 11 . 1 1 7 7 LYS HA H 7 4.179 4.179 3.914 0.265 19702 661 1 11 . 1 1 7 7 LYS H H 7 7.897 7.897 7.996 -0.099 19702 662 1 11 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.122 -0.007 19702 663 1 11 . 1 1 8 8 ARG H H 8 7.884 7.884 8.345 -0.461 19702 664 1 11 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.202 -0.083 19702 665 1 11 . 1 1 9 9 ALA H H 9 8.031 8.031 8.319 -0.288 19702 666 1 11 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.033 0.010 19702 667 1 11 . 1 1 10 10 GLN H H 10 8.040 8.040 8.567 -0.527 19702 668 1 11 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.171 -0.094 19702 669 1 11 . 1 1 11 11 ARG H H 11 7.768 7.768 7.257 0.511 19702 670 1 11 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.038 -0.125 19702 671 1 11 . 1 1 12 12 ILE H H 12 7.777 7.777 8.424 -0.647 19702 672 1 11 . 1 1 13 13 LEU HA H 13 4.141 4.141 4.007 0.134 19702 673 1 11 . 1 1 13 13 LEU H H 13 7.894 7.894 8.447 -0.553 19702 674 1 11 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.445 0.353 19702 675 1 11 . 1 1 14 14 ILE H H 14 7.832 7.832 7.276 0.556 19702 676 1 11 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.585 -0.226 19702 677 1 11 . 1 1 15 15 PHE H H 15 7.691 7.691 7.374 0.317 19702 678 1 11 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.221 -0.125 19702 679 1 11 . 1 1 16 16 LEU H H 16 8.434 8.434 8.748 -0.314 19702 680 1 11 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.973 0.133 19702 681 1 11 . 1 1 17 17 LEU H H 17 8.494 8.494 8.216 0.278 19702 682 1 11 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.954 -0.012 19702 683 1 11 . 1 1 18 18 GLU H H 18 8.287 8.287 8.036 0.251 19702 684 1 11 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.229 -0.002 19702 685 1 11 . 1 1 19 19 PHE H H 19 8.245 8.245 8.449 -0.204 19702 686 1 11 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.120 -0.083 19702 687 1 11 . 1 1 20 20 LEU H H 20 8.611 8.611 7.791 0.820 19702 688 1 11 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.987 0.127 19702 689 1 11 . 1 1 21 21 LEU H H 21 8.567 8.567 7.556 1.011 19702 690 1 11 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.335 0.107 19702 691 1 11 . 1 1 22 22 ASP H H 22 8.181 8.181 8.349 -0.168 19702 692 1 11 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.152 0.180 19702 693 1 11 . 1 1 23 23 PHE H H 23 8.327 8.327 8.277 0.050 19702 694 1 11 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.489 -0.194 19702 695 1 11 . 1 1 24 24 CYS H H 24 8.409 8.409 7.890 0.519 19702 696 1 11 . 1 1 25 25 THR HA H 25 4.295 4.295 4.358 -0.063 19702 697 1 11 . 1 1 25 25 THR H H 25 7.868 7.868 7.335 0.533 19702 698 1 11 . 1 1 26 26 GLY H H 26 7.948 7.948 7.518 0.430 19702 699 1 11 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.078 0.166 19702 700 1 11 . 1 1 27 27 GLU H H 27 8.036 8.036 8.678 -0.642 19702 701 1 11 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.565 0.126 19702 702 1 11 . 1 1 28 28 ASP H H 28 8.201 8.201 8.380 -0.179 19702 703 1 11 . 1 1 29 29 SER HA H 29 4.477 4.477 4.519 -0.042 19702 704 1 11 . 1 1 29 29 SER H H 29 7.989 7.989 7.549 0.440 19702 705 1 11 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.352 -0.247 19702 706 1 11 . 1 1 30 30 VAL H H 30 7.950 7.950 8.217 -0.267 19702 707 1 11 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.487 0.168 19702 708 1 11 . 1 1 31 31 ASP H H 31 8.182 8.182 8.325 -0.143 19702 709 1 11 . 1 1 32 32 GLY H H 32 8.124 8.124 8.266 -0.142 19702 710 1 11 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.018 0.329 19702 711 1 11 . 1 1 33 33 LYS H H 33 7.891 7.891 8.555 -0.664 19702 712 1 11 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.142 0.206 19702 713 1 11 . 1 1 34 34 LYS H H 34 8.049 8.049 8.398 -0.349 19702 714 1 11 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.477 -0.112 19702 715 1 11 . 1 1 35 35 ARG H H 35 8.155 8.155 8.055 0.100 19702 716 1 12 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.852 -0.027 19702 717 1 12 . 1 1 2 2 TRP H H 2 8.776 8.776 8.355 0.421 19702 718 1 12 . 1 1 3 3 SER HA H 3 4.315 4.315 4.063 0.252 19702 719 1 12 . 1 1 3 3 SER H H 3 8.174 8.174 8.227 -0.053 19702 720 1 12 . 1 1 4 4 GLY H H 4 7.499 7.499 8.002 -0.503 19702 721 1 12 . 1 1 5 5 THR HA H 5 4.143 4.143 4.172 -0.029 19702 722 1 12 . 1 1 5 5 THR H H 5 7.823 7.823 7.814 0.009 19702 723 1 12 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.529 -0.386 19702 724 1 12 . 1 1 6 6 LYS H H 6 8.040 8.040 8.015 0.025 19702 725 1 12 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.065 0.114 19702 726 1 12 . 1 1 7 7 LYS H H 7 7.897 7.897 8.157 -0.260 19702 727 1 12 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.248 -0.133 19702 728 1 12 . 1 1 8 8 ARG H H 8 7.884 7.884 8.449 -0.565 19702 729 1 12 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.191 -0.072 19702 730 1 12 . 1 1 9 9 ALA H H 9 8.031 8.031 8.167 -0.136 19702 731 1 12 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.025 0.018 19702 732 1 12 . 1 1 10 10 GLN H H 10 8.040 8.040 8.345 -0.305 19702 733 1 12 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.209 -0.132 19702 734 1 12 . 1 1 11 11 ARG H H 11 7.768 7.768 7.801 -0.033 19702 735 1 12 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.350 -0.437 19702 736 1 12 . 1 1 12 12 ILE H H 12 7.777 7.777 7.669 0.108 19702 737 1 12 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.979 0.162 19702 738 1 12 . 1 1 13 13 LEU H H 13 7.894 7.894 8.439 -0.545 19702 739 1 12 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.528 0.270 19702 740 1 12 . 1 1 14 14 ILE H H 14 7.832 7.832 7.430 0.402 19702 741 1 12 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.341 0.018 19702 742 1 12 . 1 1 15 15 PHE H H 15 7.691 7.691 7.291 0.400 19702 743 1 12 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.261 -0.165 19702 744 1 12 . 1 1 16 16 LEU H H 16 8.434 8.434 8.751 -0.317 19702 745 1 12 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.087 0.019 19702 746 1 12 . 1 1 17 17 LEU H H 17 8.494 8.494 8.447 0.047 19702 747 1 12 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.920 0.022 19702 748 1 12 . 1 1 18 18 GLU H H 18 8.287 8.287 8.038 0.249 19702 749 1 12 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.248 -0.021 19702 750 1 12 . 1 1 19 19 PHE H H 19 8.245 8.245 8.005 0.240 19702 751 1 12 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.020 0.017 19702 752 1 12 . 1 1 20 20 LEU H H 20 8.611 8.611 7.900 0.711 19702 753 1 12 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.883 0.231 19702 754 1 12 . 1 1 21 21 LEU H H 21 8.567 8.567 8.240 0.327 19702 755 1 12 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.313 0.129 19702 756 1 12 . 1 1 22 22 ASP H H 22 8.181 8.181 8.004 0.177 19702 757 1 12 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.075 0.257 19702 758 1 12 . 1 1 23 23 PHE H H 23 8.327 8.327 8.227 0.100 19702 759 1 12 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.542 -0.247 19702 760 1 12 . 1 1 24 24 CYS H H 24 8.409 8.409 7.899 0.510 19702 761 1 12 . 1 1 25 25 THR HA H 25 4.295 4.295 4.137 0.158 19702 762 1 12 . 1 1 25 25 THR H H 25 7.868 7.868 7.322 0.546 19702 763 1 12 . 1 1 26 26 GLY H H 26 7.948 7.948 7.620 0.328 19702 764 1 12 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.096 0.148 19702 765 1 12 . 1 1 27 27 GLU H H 27 8.036 8.036 8.811 -0.775 19702 766 1 12 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.688 0.003 19702 767 1 12 . 1 1 28 28 ASP H H 28 8.201 8.201 8.146 0.055 19702 768 1 12 . 1 1 29 29 SER HA H 29 4.477 4.477 4.540 -0.063 19702 769 1 12 . 1 1 29 29 SER H H 29 7.989 7.989 7.794 0.195 19702 770 1 12 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.092 0.013 19702 771 1 12 . 1 1 30 30 VAL H H 30 7.950 7.950 8.617 -0.667 19702 772 1 12 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.316 0.339 19702 773 1 12 . 1 1 31 31 ASP H H 31 8.182 8.182 8.385 -0.203 19702 774 1 12 . 1 1 32 32 GLY H H 32 8.124 8.124 7.379 0.745 19702 775 1 12 . 1 1 33 33 LYS HA H 33 4.347 4.347 3.884 0.463 19702 776 1 12 . 1 1 33 33 LYS H H 33 7.891 7.891 8.316 -0.425 19702 777 1 12 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.277 0.071 19702 778 1 12 . 1 1 34 34 LYS H H 34 8.049 8.049 8.528 -0.479 19702 779 1 12 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.588 -0.223 19702 780 1 12 . 1 1 35 35 ARG H H 35 8.155 8.155 8.042 0.113 19702 781 1 13 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.794 0.031 19702 782 1 13 . 1 1 2 2 TRP H H 2 8.776 8.776 8.427 0.349 19702 783 1 13 . 1 1 3 3 SER HA H 3 4.315 4.315 4.639 -0.324 19702 784 1 13 . 1 1 3 3 SER H H 3 8.174 8.174 8.035 0.139 19702 785 1 13 . 1 1 4 4 GLY H H 4 7.499 7.499 8.286 -0.787 19702 786 1 13 . 1 1 5 5 THR HA H 5 4.143 4.143 3.801 0.342 19702 787 1 13 . 1 1 5 5 THR H H 5 7.823 7.823 8.231 -0.408 19702 788 1 13 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.021 0.122 19702 789 1 13 . 1 1 6 6 LYS H H 6 8.040 8.040 8.548 -0.508 19702 790 1 13 . 1 1 7 7 LYS HA H 7 4.179 4.179 3.994 0.185 19702 791 1 13 . 1 1 7 7 LYS H H 7 7.897 7.897 8.039 -0.142 19702 792 1 13 . 1 1 8 8 ARG HA H 8 4.115 4.115 3.986 0.129 19702 793 1 13 . 1 1 8 8 ARG H H 8 7.884 7.884 8.346 -0.462 19702 794 1 13 . 1 1 9 9 ALA HA H 9 4.119 4.119 3.982 0.137 19702 795 1 13 . 1 1 9 9 ALA H H 9 8.031 8.031 7.998 0.033 19702 796 1 13 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.060 -0.017 19702 797 1 13 . 1 1 10 10 GLN H H 10 8.040 8.040 8.204 -0.164 19702 798 1 13 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.857 0.220 19702 799 1 13 . 1 1 11 11 ARG H H 11 7.768 7.768 7.584 0.184 19702 800 1 13 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.686 0.227 19702 801 1 13 . 1 1 12 12 ILE H H 12 7.777 7.777 8.114 -0.337 19702 802 1 13 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.980 0.161 19702 803 1 13 . 1 1 13 13 LEU H H 13 7.894 7.894 7.556 0.338 19702 804 1 13 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.490 0.308 19702 805 1 13 . 1 1 14 14 ILE H H 14 7.832 7.832 7.567 0.265 19702 806 1 13 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.284 0.075 19702 807 1 13 . 1 1 15 15 PHE H H 15 7.691 7.691 7.705 -0.014 19702 808 1 13 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.197 -0.101 19702 809 1 13 . 1 1 16 16 LEU H H 16 8.434 8.434 8.612 -0.178 19702 810 1 13 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.130 -0.024 19702 811 1 13 . 1 1 17 17 LEU H H 17 8.494 8.494 8.131 0.363 19702 812 1 13 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.944 -0.002 19702 813 1 13 . 1 1 18 18 GLU H H 18 8.287 8.287 8.621 -0.334 19702 814 1 13 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.228 -0.001 19702 815 1 13 . 1 1 19 19 PHE H H 19 8.245 8.245 8.637 -0.392 19702 816 1 13 . 1 1 20 20 LEU HA H 20 4.037 4.037 4.169 -0.132 19702 817 1 13 . 1 1 20 20 LEU H H 20 8.611 8.611 7.748 0.863 19702 818 1 13 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.937 0.177 19702 819 1 13 . 1 1 21 21 LEU H H 21 8.567 8.567 8.346 0.221 19702 820 1 13 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.364 0.078 19702 821 1 13 . 1 1 22 22 ASP H H 22 8.181 8.181 8.174 0.007 19702 822 1 13 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.139 0.193 19702 823 1 13 . 1 1 23 23 PHE H H 23 8.327 8.327 7.838 0.489 19702 824 1 13 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.625 -0.330 19702 825 1 13 . 1 1 24 24 CYS H H 24 8.409 8.409 8.138 0.271 19702 826 1 13 . 1 1 25 25 THR HA H 25 4.295 4.295 4.244 0.051 19702 827 1 13 . 1 1 25 25 THR H H 25 7.868 7.868 7.293 0.575 19702 828 1 13 . 1 1 26 26 GLY H H 26 7.948 7.948 7.535 0.413 19702 829 1 13 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.104 0.140 19702 830 1 13 . 1 1 27 27 GLU H H 27 8.036 8.036 8.725 -0.689 19702 831 1 13 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.793 -0.102 19702 832 1 13 . 1 1 28 28 ASP H H 28 8.201 8.201 8.080 0.121 19702 833 1 13 . 1 1 29 29 SER HA H 29 4.477 4.477 4.417 0.060 19702 834 1 13 . 1 1 29 29 SER H H 29 7.989 7.989 8.310 -0.321 19702 835 1 13 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.225 -0.120 19702 836 1 13 . 1 1 30 30 VAL H H 30 7.950 7.950 8.180 -0.230 19702 837 1 13 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.732 -0.077 19702 838 1 13 . 1 1 31 31 ASP H H 31 8.182 8.182 7.856 0.326 19702 839 1 13 . 1 1 32 32 GLY H H 32 8.124 8.124 8.262 -0.138 19702 840 1 13 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.447 -0.100 19702 841 1 13 . 1 1 33 33 LYS H H 33 7.891 7.891 7.876 0.015 19702 842 1 13 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.461 -0.113 19702 843 1 13 . 1 1 34 34 LYS H H 34 8.049 8.049 8.238 -0.189 19702 844 1 13 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.089 0.276 19702 845 1 13 . 1 1 35 35 ARG H H 35 8.155 8.155 8.585 -0.430 19702 846 1 14 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.946 -0.121 19702 847 1 14 . 1 1 2 2 TRP H H 2 8.776 8.776 8.257 0.519 19702 848 1 14 . 1 1 3 3 SER HA H 3 4.315 4.315 4.520 -0.205 19702 849 1 14 . 1 1 3 3 SER H H 3 8.174 8.174 8.306 -0.132 19702 850 1 14 . 1 1 4 4 GLY H H 4 7.499 7.499 8.549 -1.050 19702 851 1 14 . 1 1 5 5 THR HA H 5 4.143 4.143 4.067 0.076 19702 852 1 14 . 1 1 5 5 THR H H 5 7.823 7.823 7.782 0.041 19702 853 1 14 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.092 0.051 19702 854 1 14 . 1 1 6 6 LYS H H 6 8.040 8.040 8.657 -0.617 19702 855 1 14 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.042 0.137 19702 856 1 14 . 1 1 7 7 LYS H H 7 7.897 7.897 8.087 -0.190 19702 857 1 14 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.198 -0.083 19702 858 1 14 . 1 1 8 8 ARG H H 8 7.884 7.884 7.936 -0.052 19702 859 1 14 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.113 0.006 19702 860 1 14 . 1 1 9 9 ALA H H 9 8.031 8.031 7.765 0.266 19702 861 1 14 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.076 -0.033 19702 862 1 14 . 1 1 10 10 GLN H H 10 8.040 8.040 8.501 -0.461 19702 863 1 14 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.247 -0.170 19702 864 1 14 . 1 1 11 11 ARG H H 11 7.768 7.768 7.775 -0.007 19702 865 1 14 . 1 1 12 12 ILE HA H 12 3.913 3.913 4.039 -0.126 19702 866 1 14 . 1 1 12 12 ILE H H 12 7.777 7.777 7.247 0.530 19702 867 1 14 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.979 0.162 19702 868 1 14 . 1 1 13 13 LEU H H 13 7.894 7.894 7.412 0.482 19702 869 1 14 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.564 0.234 19702 870 1 14 . 1 1 14 14 ILE H H 14 7.832 7.832 7.364 0.468 19702 871 1 14 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.275 0.084 19702 872 1 14 . 1 1 15 15 PHE H H 15 7.691 7.691 7.429 0.262 19702 873 1 14 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.259 -0.163 19702 874 1 14 . 1 1 16 16 LEU H H 16 8.434 8.434 8.428 0.006 19702 875 1 14 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.984 0.122 19702 876 1 14 . 1 1 17 17 LEU H H 17 8.494 8.494 8.599 -0.105 19702 877 1 14 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.948 -0.006 19702 878 1 14 . 1 1 18 18 GLU H H 18 8.287 8.287 8.280 0.007 19702 879 1 14 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.292 -0.065 19702 880 1 14 . 1 1 19 19 PHE H H 19 8.245 8.245 7.924 0.321 19702 881 1 14 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.966 0.071 19702 882 1 14 . 1 1 20 20 LEU H H 20 8.611 8.611 8.580 0.031 19702 883 1 14 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.083 0.031 19702 884 1 14 . 1 1 21 21 LEU H H 21 8.567 8.567 8.215 0.352 19702 885 1 14 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.528 -0.086 19702 886 1 14 . 1 1 22 22 ASP H H 22 8.181 8.181 7.357 0.824 19702 887 1 14 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.087 0.245 19702 888 1 14 . 1 1 23 23 PHE H H 23 8.327 8.327 8.599 -0.272 19702 889 1 14 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.450 -0.155 19702 890 1 14 . 1 1 24 24 CYS H H 24 8.409 8.409 8.230 0.179 19702 891 1 14 . 1 1 25 25 THR HA H 25 4.295 4.295 4.156 0.139 19702 892 1 14 . 1 1 25 25 THR H H 25 7.868 7.868 7.290 0.578 19702 893 1 14 . 1 1 26 26 GLY H H 26 7.948 7.948 7.909 0.039 19702 894 1 14 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.058 0.186 19702 895 1 14 . 1 1 27 27 GLU H H 27 8.036 8.036 7.886 0.150 19702 896 1 14 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.526 0.165 19702 897 1 14 . 1 1 28 28 ASP H H 28 8.201 8.201 8.516 -0.315 19702 898 1 14 . 1 1 29 29 SER HA H 29 4.477 4.477 4.667 -0.190 19702 899 1 14 . 1 1 29 29 SER H H 29 7.989 7.989 7.883 0.106 19702 900 1 14 . 1 1 30 30 VAL HA H 30 4.105 4.105 3.923 0.182 19702 901 1 14 . 1 1 30 30 VAL H H 30 7.950 7.950 8.423 -0.473 19702 902 1 14 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.624 0.031 19702 903 1 14 . 1 1 31 31 ASP H H 31 8.182 8.182 8.777 -0.595 19702 904 1 14 . 1 1 32 32 GLY H H 32 8.124 8.124 8.133 -0.009 19702 905 1 14 . 1 1 33 33 LYS HA H 33 4.347 4.347 3.940 0.407 19702 906 1 14 . 1 1 33 33 LYS H H 33 7.891 7.891 7.448 0.443 19702 907 1 14 . 1 1 34 34 LYS HA H 34 4.348 4.348 3.915 0.433 19702 908 1 14 . 1 1 34 34 LYS H H 34 8.049 8.049 8.525 -0.476 19702 909 1 14 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.355 0.010 19702 910 1 14 . 1 1 35 35 ARG H H 35 8.155 8.155 8.095 0.060 19702 911 1 15 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.471 0.354 19702 912 1 15 . 1 1 2 2 TRP H H 2 8.776 8.776 8.693 0.083 19702 913 1 15 . 1 1 3 3 SER HA H 3 4.315 4.315 4.635 -0.320 19702 914 1 15 . 1 1 3 3 SER H H 3 8.174 8.174 7.697 0.477 19702 915 1 15 . 1 1 4 4 GLY H H 4 7.499 7.499 8.599 -1.100 19702 916 1 15 . 1 1 5 5 THR HA H 5 4.143 4.143 4.430 -0.287 19702 917 1 15 . 1 1 5 5 THR H H 5 7.823 7.823 7.726 0.097 19702 918 1 15 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.391 -0.248 19702 919 1 15 . 1 1 6 6 LYS H H 6 8.040 8.040 8.392 -0.352 19702 920 1 15 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.134 0.045 19702 921 1 15 . 1 1 7 7 LYS H H 7 7.897 7.897 8.263 -0.366 19702 922 1 15 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.295 -0.180 19702 923 1 15 . 1 1 8 8 ARG H H 8 7.884 7.884 7.696 0.188 19702 924 1 15 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.239 -0.120 19702 925 1 15 . 1 1 9 9 ALA H H 9 8.031 8.031 7.701 0.330 19702 926 1 15 . 1 1 10 10 GLN HA H 10 4.043 4.043 3.942 0.101 19702 927 1 15 . 1 1 10 10 GLN H H 10 8.040 8.040 7.844 0.196 19702 928 1 15 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.910 0.167 19702 929 1 15 . 1 1 11 11 ARG H H 11 7.768 7.768 7.835 -0.067 19702 930 1 15 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.551 0.362 19702 931 1 15 . 1 1 12 12 ILE H H 12 7.777 7.777 7.295 0.482 19702 932 1 15 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.977 0.164 19702 933 1 15 . 1 1 13 13 LEU H H 13 7.894 7.894 7.358 0.536 19702 934 1 15 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.497 0.301 19702 935 1 15 . 1 1 14 14 ILE H H 14 7.832 7.832 7.228 0.604 19702 936 1 15 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.243 0.116 19702 937 1 15 . 1 1 15 15 PHE H H 15 7.691 7.691 7.115 0.576 19702 938 1 15 . 1 1 16 16 LEU HA H 16 4.096 4.096 3.998 0.098 19702 939 1 15 . 1 1 16 16 LEU H H 16 8.434 8.434 8.662 -0.228 19702 940 1 15 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.928 0.178 19702 941 1 15 . 1 1 17 17 LEU H H 17 8.494 8.494 8.577 -0.083 19702 942 1 15 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.968 -0.026 19702 943 1 15 . 1 1 18 18 GLU H H 18 8.287 8.287 8.355 -0.068 19702 944 1 15 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.299 -0.072 19702 945 1 15 . 1 1 19 19 PHE H H 19 8.245 8.245 8.328 -0.083 19702 946 1 15 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.971 0.066 19702 947 1 15 . 1 1 20 20 LEU H H 20 8.611 8.611 8.872 -0.261 19702 948 1 15 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.834 0.280 19702 949 1 15 . 1 1 21 21 LEU H H 21 8.567 8.567 8.557 0.010 19702 950 1 15 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.322 0.120 19702 951 1 15 . 1 1 22 22 ASP H H 22 8.181 8.181 7.664 0.517 19702 952 1 15 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.210 0.122 19702 953 1 15 . 1 1 23 23 PHE H H 23 8.327 8.327 8.328 -0.001 19702 954 1 15 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.165 0.130 19702 955 1 15 . 1 1 24 24 CYS H H 24 8.409 8.409 8.271 0.138 19702 956 1 15 . 1 1 25 25 THR HA H 25 4.295 4.295 4.060 0.235 19702 957 1 15 . 1 1 25 25 THR H H 25 7.868 7.868 7.470 0.398 19702 958 1 15 . 1 1 26 26 GLY H H 26 7.948 7.948 7.133 0.815 19702 959 1 15 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.226 0.018 19702 960 1 15 . 1 1 27 27 GLU H H 27 8.036 8.036 8.580 -0.544 19702 961 1 15 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.609 0.082 19702 962 1 15 . 1 1 28 28 ASP H H 28 8.201 8.201 8.131 0.070 19702 963 1 15 . 1 1 29 29 SER HA H 29 4.477 4.477 4.236 0.241 19702 964 1 15 . 1 1 29 29 SER H H 29 7.989 7.989 7.804 0.185 19702 965 1 15 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.216 -0.111 19702 966 1 15 . 1 1 30 30 VAL H H 30 7.950 7.950 8.521 -0.571 19702 967 1 15 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.669 -0.014 19702 968 1 15 . 1 1 31 31 ASP H H 31 8.182 8.182 7.525 0.657 19702 969 1 15 . 1 1 32 32 GLY H H 32 8.124 8.124 7.979 0.145 19702 970 1 15 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.401 -0.054 19702 971 1 15 . 1 1 33 33 LYS H H 33 7.891 7.891 8.600 -0.709 19702 972 1 15 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.245 0.103 19702 973 1 15 . 1 1 34 34 LYS H H 34 8.049 8.049 8.100 -0.051 19702 974 1 15 . 1 1 35 35 ARG HA H 35 4.365 4.365 3.948 0.417 19702 975 1 15 . 1 1 35 35 ARG H H 35 8.155 8.155 8.917 -0.762 19702 976 1 16 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.818 0.007 19702 977 1 16 . 1 1 2 2 TRP H H 2 8.776 8.776 7.980 0.796 19702 978 1 16 . 1 1 3 3 SER HA H 3 4.315 4.315 4.257 0.058 19702 979 1 16 . 1 1 3 3 SER H H 3 8.174 8.174 8.648 -0.474 19702 980 1 16 . 1 1 4 4 GLY H H 4 7.499 7.499 8.094 -0.595 19702 981 1 16 . 1 1 5 5 THR HA H 5 4.143 4.143 4.154 -0.011 19702 982 1 16 . 1 1 5 5 THR H H 5 7.823 7.823 7.739 0.084 19702 983 1 16 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.304 -0.161 19702 984 1 16 . 1 1 6 6 LYS H H 6 8.040 8.040 8.348 -0.308 19702 985 1 16 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.423 -0.244 19702 986 1 16 . 1 1 7 7 LYS H H 7 7.897 7.897 7.992 -0.095 19702 987 1 16 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.031 0.084 19702 988 1 16 . 1 1 8 8 ARG H H 8 7.884 7.884 7.422 0.462 19702 989 1 16 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.194 -0.075 19702 990 1 16 . 1 1 9 9 ALA H H 9 8.031 8.031 8.412 -0.381 19702 991 1 16 . 1 1 10 10 GLN HA H 10 4.043 4.043 3.986 0.057 19702 992 1 16 . 1 1 10 10 GLN H H 10 8.040 8.040 8.386 -0.346 19702 993 1 16 . 1 1 11 11 ARG HA H 11 4.077 4.077 3.813 0.264 19702 994 1 16 . 1 1 11 11 ARG H H 11 7.768 7.768 7.987 -0.219 19702 995 1 16 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.874 0.039 19702 996 1 16 . 1 1 12 12 ILE H H 12 7.777 7.777 7.053 0.724 19702 997 1 16 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.958 0.183 19702 998 1 16 . 1 1 13 13 LEU H H 13 7.894 7.894 7.842 0.052 19702 999 1 16 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.624 0.174 19702 1000 1 16 . 1 1 14 14 ILE H H 14 7.832 7.832 8.035 -0.203 19702 1001 1 16 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.807 -0.448 19702 1002 1 16 . 1 1 15 15 PHE H H 15 7.691 7.691 7.237 0.454 19702 1003 1 16 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.024 0.072 19702 1004 1 16 . 1 1 16 16 LEU H H 16 8.434 8.434 8.631 -0.197 19702 1005 1 16 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.881 0.225 19702 1006 1 16 . 1 1 17 17 LEU H H 17 8.494 8.494 8.699 -0.205 19702 1007 1 16 . 1 1 18 18 GLU HA H 18 3.942 3.942 4.018 -0.076 19702 1008 1 16 . 1 1 18 18 GLU H H 18 8.287 8.287 8.518 -0.231 19702 1009 1 16 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.373 -0.146 19702 1010 1 16 . 1 1 19 19 PHE H H 19 8.245 8.245 7.423 0.822 19702 1011 1 16 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.941 0.096 19702 1012 1 16 . 1 1 20 20 LEU H H 20 8.611 8.611 8.790 -0.179 19702 1013 1 16 . 1 1 21 21 LEU HA H 21 4.114 4.114 4.134 -0.020 19702 1014 1 16 . 1 1 21 21 LEU H H 21 8.567 8.567 8.190 0.377 19702 1015 1 16 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.417 0.025 19702 1016 1 16 . 1 1 22 22 ASP H H 22 8.181 8.181 7.583 0.598 19702 1017 1 16 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.008 0.324 19702 1018 1 16 . 1 1 23 23 PHE H H 23 8.327 8.327 8.419 -0.092 19702 1019 1 16 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.181 0.114 19702 1020 1 16 . 1 1 24 24 CYS H H 24 8.409 8.409 7.952 0.457 19702 1021 1 16 . 1 1 25 25 THR HA H 25 4.295 4.295 4.390 -0.095 19702 1022 1 16 . 1 1 25 25 THR H H 25 7.868 7.868 8.147 -0.279 19702 1023 1 16 . 1 1 26 26 GLY H H 26 7.948 7.948 7.444 0.504 19702 1024 1 16 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.315 -0.071 19702 1025 1 16 . 1 1 27 27 GLU H H 27 8.036 8.036 9.480 -1.444 19702 1026 1 16 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.824 -0.133 19702 1027 1 16 . 1 1 28 28 ASP H H 28 8.201 8.201 8.024 0.177 19702 1028 1 16 . 1 1 29 29 SER HA H 29 4.477 4.477 4.269 0.208 19702 1029 1 16 . 1 1 29 29 SER H H 29 7.989 7.989 8.006 -0.017 19702 1030 1 16 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.356 -0.251 19702 1031 1 16 . 1 1 30 30 VAL H H 30 7.950 7.950 8.511 -0.561 19702 1032 1 16 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.559 0.096 19702 1033 1 16 . 1 1 31 31 ASP H H 31 8.182 8.182 8.475 -0.293 19702 1034 1 16 . 1 1 32 32 GLY H H 32 8.124 8.124 8.312 -0.188 19702 1035 1 16 . 1 1 33 33 LYS HA H 33 4.347 4.347 3.844 0.503 19702 1036 1 16 . 1 1 33 33 LYS H H 33 7.891 7.891 7.593 0.298 19702 1037 1 16 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.399 -0.051 19702 1038 1 16 . 1 1 34 34 LYS H H 34 8.049 8.049 8.536 -0.487 19702 1039 1 16 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.283 0.082 19702 1040 1 16 . 1 1 35 35 ARG H H 35 8.155 8.155 8.137 0.018 19702 1041 1 17 . 1 1 2 2 TRP HA H 2 4.825 4.825 4.928 -0.103 19702 1042 1 17 . 1 1 2 2 TRP H H 2 8.776 8.776 8.194 0.582 19702 1043 1 17 . 1 1 3 3 SER HA H 3 4.315 4.315 4.538 -0.223 19702 1044 1 17 . 1 1 3 3 SER H H 3 8.174 8.174 8.240 -0.066 19702 1045 1 17 . 1 1 4 4 GLY H H 4 7.499 7.499 7.709 -0.210 19702 1046 1 17 . 1 1 5 5 THR HA H 5 4.143 4.143 3.820 0.323 19702 1047 1 17 . 1 1 5 5 THR H H 5 7.823 7.823 8.054 -0.231 19702 1048 1 17 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.033 0.110 19702 1049 1 17 . 1 1 6 6 LYS H H 6 8.040 8.040 8.466 -0.426 19702 1050 1 17 . 1 1 7 7 LYS HA H 7 4.179 4.179 3.992 0.187 19702 1051 1 17 . 1 1 7 7 LYS H H 7 7.897 7.897 8.057 -0.160 19702 1052 1 17 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.069 0.046 19702 1053 1 17 . 1 1 8 8 ARG H H 8 7.884 7.884 8.357 -0.473 19702 1054 1 17 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.123 -0.004 19702 1055 1 17 . 1 1 9 9 ALA H H 9 8.031 8.031 7.838 0.193 19702 1056 1 17 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.028 0.015 19702 1057 1 17 . 1 1 10 10 GLN H H 10 8.040 8.040 8.491 -0.451 19702 1058 1 17 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.148 -0.071 19702 1059 1 17 . 1 1 11 11 ARG H H 11 7.768 7.768 8.065 -0.297 19702 1060 1 17 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.972 -0.059 19702 1061 1 17 . 1 1 12 12 ILE H H 12 7.777 7.777 7.638 0.139 19702 1062 1 17 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.950 0.191 19702 1063 1 17 . 1 1 13 13 LEU H H 13 7.894 7.894 7.561 0.333 19702 1064 1 17 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.614 0.184 19702 1065 1 17 . 1 1 14 14 ILE H H 14 7.832 7.832 7.404 0.428 19702 1066 1 17 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.335 0.024 19702 1067 1 17 . 1 1 15 15 PHE H H 15 7.691 7.691 7.272 0.419 19702 1068 1 17 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.238 -0.142 19702 1069 1 17 . 1 1 16 16 LEU H H 16 8.434 8.434 8.686 -0.252 19702 1070 1 17 . 1 1 17 17 LEU HA H 17 4.106 4.106 4.029 0.077 19702 1071 1 17 . 1 1 17 17 LEU H H 17 8.494 8.494 8.359 0.135 19702 1072 1 17 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.944 -0.002 19702 1073 1 17 . 1 1 18 18 GLU H H 18 8.287 8.287 8.078 0.209 19702 1074 1 17 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.276 -0.049 19702 1075 1 17 . 1 1 19 19 PHE H H 19 8.245 8.245 8.249 -0.004 19702 1076 1 17 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.844 0.193 19702 1077 1 17 . 1 1 20 20 LEU H H 20 8.611 8.611 7.948 0.663 19702 1078 1 17 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.922 0.192 19702 1079 1 17 . 1 1 21 21 LEU H H 21 8.567 8.567 8.006 0.561 19702 1080 1 17 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.312 0.130 19702 1081 1 17 . 1 1 22 22 ASP H H 22 8.181 8.181 7.886 0.295 19702 1082 1 17 . 1 1 23 23 PHE HA H 23 4.332 4.332 3.956 0.376 19702 1083 1 17 . 1 1 23 23 PHE H H 23 8.327 8.327 8.444 -0.117 19702 1084 1 17 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.234 0.061 19702 1085 1 17 . 1 1 24 24 CYS H H 24 8.409 8.409 7.728 0.681 19702 1086 1 17 . 1 1 25 25 THR HA H 25 4.295 4.295 4.279 0.016 19702 1087 1 17 . 1 1 25 25 THR H H 25 7.868 7.868 8.177 -0.309 19702 1088 1 17 . 1 1 26 26 GLY H H 26 7.948 7.948 7.547 0.401 19702 1089 1 17 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.095 0.149 19702 1090 1 17 . 1 1 27 27 GLU H H 27 8.036 8.036 8.684 -0.648 19702 1091 1 17 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.624 0.067 19702 1092 1 17 . 1 1 28 28 ASP H H 28 8.201 8.201 8.504 -0.303 19702 1093 1 17 . 1 1 29 29 SER HA H 29 4.477 4.477 4.830 -0.353 19702 1094 1 17 . 1 1 29 29 SER H H 29 7.989 7.989 7.797 0.192 19702 1095 1 17 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.166 -0.061 19702 1096 1 17 . 1 1 30 30 VAL H H 30 7.950 7.950 8.362 -0.412 19702 1097 1 17 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.507 0.148 19702 1098 1 17 . 1 1 31 31 ASP H H 31 8.182 8.182 7.944 0.238 19702 1099 1 17 . 1 1 32 32 GLY H H 32 8.124 8.124 8.017 0.107 19702 1100 1 17 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.421 -0.074 19702 1101 1 17 . 1 1 33 33 LYS H H 33 7.891 7.891 8.066 -0.175 19702 1102 1 17 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.313 0.035 19702 1103 1 17 . 1 1 34 34 LYS H H 34 8.049 8.049 7.503 0.546 19702 1104 1 17 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.302 0.063 19702 1105 1 17 . 1 1 35 35 ARG H H 35 8.155 8.155 8.578 -0.423 19702 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 19702 2 1 1 "Average Difference" HA 37 0.222 -0.040 0.221 19702 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19702 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19702 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19702 6 1 1 "Average Difference" HN 34 0.406 -0.008 0.412 19702 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19702 8 1 2 "Average Difference" HA 37 0.153 -0.029 0.153 19702 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19702 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19702 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19702 12 1 2 "Average Difference" HN 34 0.401 0.029 0.406 19702 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19702 14 1 3 "Average Difference" HA 37 0.209 -0.022 0.211 19702 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19702 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19702 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19702 18 1 3 "Average Difference" HN 34 0.319 0.032 0.322 19702 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19702 20 1 4 "Average Difference" HA 37 0.290 -0.020 0.293 19702 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19702 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19702 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19702 24 1 4 "Average Difference" HN 34 0.398 0.009 0.404 19702 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19702 26 1 5 "Average Difference" HA 37 0.193 -0.042 0.191 19702 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19702 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19702 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19702 30 1 5 "Average Difference" HN 34 0.468 0.043 0.473 19702 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19702 32 1 6 "Average Difference" HA 37 0.187 -0.019 0.189 19702 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19702 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19702 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19702 36 1 6 "Average Difference" HN 34 0.397 0.071 0.397 19702 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19702 38 1 7 "Average Difference" HA 37 0.133 -0.041 0.129 19702 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19702 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19702 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19702 42 1 7 "Average Difference" HN 34 0.451 -0.050 0.455 19702 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19702 44 1 8 "Average Difference" HA 37 0.250 -0.063 0.246 19702 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19702 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19702 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19702 48 1 8 "Average Difference" HN 34 0.367 0.018 0.372 19702 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19702 50 1 9 "Average Difference" HA 37 0.183 0.013 0.185 19702 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19702 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19702 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19702 54 1 9 "Average Difference" HN 34 0.432 -0.049 0.435 19702 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19702 56 1 10 "Average Difference" HA 37 0.254 -0.016 0.257 19702 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19702 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19702 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19702 60 1 10 "Average Difference" HN 34 0.488 0.027 0.495 19702 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19702 62 1 11 "Average Difference" HA 37 0.211 0.008 0.213 19702 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19702 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19702 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19702 66 1 11 "Average Difference" HN 34 0.468 0.021 0.474 19702 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19702 68 1 12 "Average Difference" HA 37 0.235 -0.006 0.238 19702 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19702 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19702 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19702 72 1 12 "Average Difference" HN 34 0.391 -0.013 0.397 19702 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19702 74 1 13 "Average Difference" HA 37 0.222 0.022 0.224 19702 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19702 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19702 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19702 78 1 13 "Average Difference" HN 34 0.376 0.022 0.381 19702 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19702 80 1 14 "Average Difference" HA 37 0.195 -0.018 0.197 19702 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19702 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19702 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19702 84 1 14 "Average Difference" HN 34 0.398 -0.027 0.403 19702 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19702 86 1 15 "Average Difference" HA 37 0.242 -0.089 0.228 19702 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19702 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19702 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19702 90 1 15 "Average Difference" HN 34 0.439 -0.037 0.444 19702 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19702 92 1 16 "Average Difference" HA 37 0.225 -0.004 0.228 19702 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19702 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19702 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19702 96 1 16 "Average Difference" HN 34 0.466 0.029 0.472 19702 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19702 98 1 17 "Average Difference" HA 37 0.174 -0.028 0.175 19702 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19702 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19702 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19702 102 1 17 "Average Difference" HN 34 0.371 -0.034 0.375 19702 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 19702 _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 TRP HA H 2 4.825 4.825 4.755 0.070 19702 2 1 . 1 1 2 2 TRP H H 2 8.776 8.776 8.440 0.336 19702 3 1 . 1 1 3 3 SER HA H 3 4.315 4.315 4.481 -0.166 19702 4 1 . 1 1 3 3 SER H H 3 8.174 8.174 8.327 -0.153 19702 5 1 . 1 1 4 4 GLY H H 4 7.499 7.499 8.237 -0.738 19702 6 1 . 1 1 5 5 THR HA H 5 4.143 4.143 4.106 0.037 19702 7 1 . 1 1 5 5 THR H H 5 7.823 7.823 8.033 -0.210 19702 8 1 . 1 1 6 6 LYS HA H 6 4.143 4.143 4.349 -0.206 19702 9 1 . 1 1 6 6 LYS H H 6 8.040 8.040 8.430 -0.390 19702 10 1 . 1 1 7 7 LYS HA H 7 4.179 4.179 4.135 0.044 19702 11 1 . 1 1 7 7 LYS H H 7 7.897 7.897 8.063 -0.166 19702 12 1 . 1 1 8 8 ARG HA H 8 4.115 4.115 4.162 -0.047 19702 13 1 . 1 1 8 8 ARG H H 8 7.884 7.884 8.008 -0.124 19702 14 1 . 1 1 9 9 ALA HA H 9 4.119 4.119 4.168 -0.049 19702 15 1 . 1 1 9 9 ALA H H 9 8.031 8.031 7.919 0.112 19702 16 1 . 1 1 10 10 GLN HA H 10 4.043 4.043 4.042 0.001 19702 17 1 . 1 1 10 10 GLN H H 10 8.040 8.040 8.285 -0.245 19702 18 1 . 1 1 11 11 ARG HA H 11 4.077 4.077 4.095 -0.018 19702 19 1 . 1 1 11 11 ARG H H 11 7.768 7.768 7.704 0.064 19702 20 1 . 1 1 12 12 ILE HA H 12 3.913 3.913 3.894 0.019 19702 21 1 . 1 1 12 12 ILE H H 12 7.777 7.777 7.538 0.239 19702 22 1 . 1 1 13 13 LEU HA H 13 4.141 4.141 3.995 0.146 19702 23 1 . 1 1 13 13 LEU H H 13 7.894 7.894 7.765 0.129 19702 24 1 . 1 1 14 14 ILE HA H 14 3.798 3.798 3.569 0.229 19702 25 1 . 1 1 14 14 ILE H H 14 7.832 7.832 7.427 0.405 19702 26 1 . 1 1 15 15 PHE HA H 15 4.359 4.359 4.395 -0.036 19702 27 1 . 1 1 15 15 PHE H H 15 7.691 7.691 7.383 0.308 19702 28 1 . 1 1 16 16 LEU HA H 16 4.096 4.096 4.149 -0.053 19702 29 1 . 1 1 16 16 LEU H H 16 8.434 8.434 8.581 -0.147 19702 30 1 . 1 1 17 17 LEU HA H 17 4.106 4.106 3.974 0.132 19702 31 1 . 1 1 17 17 LEU H H 17 8.494 8.494 8.447 0.047 19702 32 1 . 1 1 18 18 GLU HA H 18 3.942 3.942 3.962 -0.020 19702 33 1 . 1 1 18 18 GLU H H 18 8.287 8.287 8.293 -0.006 19702 34 1 . 1 1 19 19 PHE HA H 19 4.227 4.227 4.286 -0.059 19702 35 1 . 1 1 19 19 PHE H H 19 8.245 8.245 8.113 0.132 19702 36 1 . 1 1 20 20 LEU HA H 20 4.037 4.037 3.981 0.056 19702 37 1 . 1 1 20 20 LEU H H 20 8.611 8.611 8.427 0.184 19702 38 1 . 1 1 21 21 LEU HA H 21 4.114 4.114 3.996 0.118 19702 39 1 . 1 1 21 21 LEU H H 21 8.567 8.567 8.151 0.416 19702 40 1 . 1 1 22 22 ASP HA H 22 4.442 4.442 4.359 0.083 19702 41 1 . 1 1 22 22 ASP H H 22 8.181 8.181 7.866 0.315 19702 42 1 . 1 1 23 23 PHE HA H 23 4.332 4.332 4.101 0.231 19702 43 1 . 1 1 23 23 PHE H H 23 8.327 8.327 8.268 0.059 19702 44 1 . 1 1 24 24 CYS HA H 24 4.295 4.295 4.296 -0.001 19702 45 1 . 1 1 24 24 CYS H H 24 8.409 8.409 8.083 0.326 19702 46 1 . 1 1 25 25 THR HA H 25 4.295 4.295 4.255 0.040 19702 47 1 . 1 1 25 25 THR H H 25 7.868 7.868 7.565 0.303 19702 48 1 . 1 1 26 26 GLY H H 26 7.948 7.948 7.759 0.189 19702 49 1 . 1 1 27 27 GLU HA H 27 4.244 4.244 4.111 0.133 19702 50 1 . 1 1 27 27 GLU H H 27 8.036 8.036 8.485 -0.449 19702 51 1 . 1 1 28 28 ASP HA H 28 4.691 4.691 4.634 0.057 19702 52 1 . 1 1 28 28 ASP H H 28 8.201 8.201 8.173 0.028 19702 53 1 . 1 1 29 29 SER HA H 29 4.477 4.477 4.450 0.027 19702 54 1 . 1 1 29 29 SER H H 29 7.989 7.989 7.906 0.083 19702 55 1 . 1 1 30 30 VAL HA H 30 4.105 4.105 4.129 -0.024 19702 56 1 . 1 1 30 30 VAL H H 30 7.950 7.950 8.423 -0.473 19702 57 1 . 1 1 31 31 ASP HA H 31 4.655 4.655 4.604 0.051 19702 58 1 . 1 1 31 31 ASP H H 31 8.182 8.182 8.212 -0.030 19702 59 1 . 1 1 32 32 GLY H H 32 8.124 8.124 8.338 -0.214 19702 60 1 . 1 1 33 33 LYS HA H 33 4.347 4.347 4.184 0.163 19702 61 1 . 1 1 33 33 LYS H H 33 7.891 7.891 8.110 -0.219 19702 62 1 . 1 1 34 34 LYS HA H 34 4.348 4.348 4.269 0.079 19702 63 1 . 1 1 34 34 LYS H H 34 8.049 8.049 8.243 -0.193 19702 64 1 . 1 1 35 35 ARG HA H 35 4.365 4.365 4.344 0.021 19702 65 1 . 1 1 35 35 ARG H H 35 8.155 8.155 8.238 -0.083 19702 stop_ save_