data_25335 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25335 _Entry.PDB_ID 2MWL 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 25335 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.490 -0.097 25335 2 1 1 . 1 1 2 2 ALA H H 2 8.647 8.647 6.590 2.057 25335 3 1 1 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.558 -0.280 25335 4 1 1 . 1 1 3 3 ARG H H 3 8.508 8.508 8.591 -0.083 25335 5 1 1 . 1 1 4 4 GLY H H 4 8.473 8.473 8.564 -0.091 25335 6 1 1 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.867 -0.284 25335 7 1 1 . 1 1 5 5 TRP H H 5 8.035 8.035 9.018 -0.983 25335 8 1 1 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.465 -0.113 25335 9 1 1 . 1 1 6 6 LYS H H 6 8.112 8.112 7.899 0.213 25335 10 1 1 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.314 -0.027 25335 11 1 1 . 1 1 7 7 ARG H H 7 8.224 8.224 8.615 -0.391 25335 12 1 1 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.260 -0.146 25335 13 1 1 . 1 1 8 8 LYS H H 8 8.035 8.035 8.398 -0.363 25335 14 1 1 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.364 0.151 25335 15 1 1 . 1 1 9 9 CYS H H 9 8.208 8.208 8.034 0.174 25335 16 1 1 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.452 -0.203 25335 17 1 1 . 1 1 11 11 LEU H H 11 8.111 8.111 6.809 1.302 25335 18 1 1 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.230 0.369 25335 19 1 1 . 1 1 12 12 PHE H H 12 8.136 8.136 7.740 0.396 25335 20 1 1 . 1 1 13 13 GLY H H 13 8.295 8.295 8.098 0.197 25335 21 1 1 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.903 0.452 25335 22 1 1 . 1 1 14 14 LYS H H 14 8.181 8.181 7.565 0.616 25335 23 1 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.644 -0.172 25335 24 1 2 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.505 -0.112 25335 25 1 2 . 1 1 2 2 ALA H H 2 8.647 8.647 6.691 1.956 25335 26 1 2 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.575 -0.297 25335 27 1 2 . 1 1 3 3 ARG H H 3 8.508 8.508 8.665 -0.157 25335 28 1 2 . 1 1 4 4 GLY H H 4 8.473 8.473 8.663 -0.190 25335 29 1 2 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.292 25335 30 1 2 . 1 1 5 5 TRP H H 5 8.035 8.035 8.984 -0.949 25335 31 1 2 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.484 -0.132 25335 32 1 2 . 1 1 6 6 LYS H H 6 8.112 8.112 7.853 0.259 25335 33 1 2 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.384 -0.097 25335 34 1 2 . 1 1 7 7 ARG H H 7 8.224 8.224 8.536 -0.312 25335 35 1 2 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.266 -0.152 25335 36 1 2 . 1 1 8 8 LYS H H 8 8.035 8.035 8.504 -0.469 25335 37 1 2 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.377 0.138 25335 38 1 2 . 1 1 9 9 CYS H H 9 8.208 8.208 8.031 0.177 25335 39 1 2 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.441 -0.192 25335 40 1 2 . 1 1 11 11 LEU H H 11 8.111 8.111 6.972 1.139 25335 41 1 2 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.223 0.376 25335 42 1 2 . 1 1 12 12 PHE H H 12 8.136 8.136 7.726 0.410 25335 43 1 2 . 1 1 13 13 GLY H H 13 8.295 8.295 8.183 0.112 25335 44 1 2 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.911 0.444 25335 45 1 2 . 1 1 14 14 LYS H H 14 8.181 8.181 7.739 0.442 25335 46 1 2 . 1 1 15 15 GLY H H 15 8.472 8.472 8.716 -0.244 25335 47 1 3 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.466 -0.073 25335 48 1 3 . 1 1 2 2 ALA H H 2 8.647 8.647 6.672 1.975 25335 49 1 3 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.574 -0.296 25335 50 1 3 . 1 1 3 3 ARG H H 3 8.508 8.508 8.646 -0.138 25335 51 1 3 . 1 1 4 4 GLY H H 4 8.473 8.473 8.643 -0.170 25335 52 1 3 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.878 -0.295 25335 53 1 3 . 1 1 5 5 TRP H H 5 8.035 8.035 8.973 -0.938 25335 54 1 3 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.476 -0.124 25335 55 1 3 . 1 1 6 6 LYS H H 6 8.112 8.112 7.859 0.253 25335 56 1 3 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.387 -0.100 25335 57 1 3 . 1 1 7 7 ARG H H 7 8.224 8.224 8.516 -0.292 25335 58 1 3 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.254 -0.140 25335 59 1 3 . 1 1 8 8 LYS H H 8 8.035 8.035 8.459 -0.424 25335 60 1 3 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.397 0.118 25335 61 1 3 . 1 1 9 9 CYS H H 9 8.208 8.208 7.955 0.253 25335 62 1 3 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.444 -0.195 25335 63 1 3 . 1 1 11 11 LEU H H 11 8.111 8.111 6.806 1.305 25335 64 1 3 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.232 0.367 25335 65 1 3 . 1 1 12 12 PHE H H 12 8.136 8.136 7.747 0.389 25335 66 1 3 . 1 1 13 13 GLY H H 13 8.295 8.295 7.983 0.312 25335 67 1 3 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.897 0.458 25335 68 1 3 . 1 1 14 14 LYS H H 14 8.181 8.181 7.634 0.547 25335 69 1 3 . 1 1 15 15 GLY H H 15 8.472 8.472 8.444 0.028 25335 70 1 4 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.423 -0.030 25335 71 1 4 . 1 1 2 2 ALA H H 2 8.647 8.647 7.003 1.644 25335 72 1 4 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.511 -0.233 25335 73 1 4 . 1 1 3 3 ARG H H 3 8.508 8.508 8.645 -0.137 25335 74 1 4 . 1 1 4 4 GLY H H 4 8.473 8.473 8.658 -0.185 25335 75 1 4 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.292 25335 76 1 4 . 1 1 5 5 TRP H H 5 8.035 8.035 8.968 -0.933 25335 77 1 4 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.473 -0.121 25335 78 1 4 . 1 1 6 6 LYS H H 6 8.112 8.112 7.907 0.205 25335 79 1 4 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.271 0.016 25335 80 1 4 . 1 1 7 7 ARG H H 7 8.224 8.224 8.617 -0.393 25335 81 1 4 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.222 -0.108 25335 82 1 4 . 1 1 8 8 LYS H H 8 8.035 8.035 8.378 -0.343 25335 83 1 4 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.394 0.121 25335 84 1 4 . 1 1 9 9 CYS H H 9 8.208 8.208 7.916 0.292 25335 85 1 4 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.450 -0.201 25335 86 1 4 . 1 1 11 11 LEU H H 11 8.111 8.111 6.812 1.299 25335 87 1 4 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.250 0.349 25335 88 1 4 . 1 1 12 12 PHE H H 12 8.136 8.136 7.771 0.365 25335 89 1 4 . 1 1 13 13 GLY H H 13 8.295 8.295 8.076 0.219 25335 90 1 4 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.901 0.454 25335 91 1 4 . 1 1 14 14 LYS H H 14 8.181 8.181 7.516 0.665 25335 92 1 4 . 1 1 15 15 GLY H H 15 8.472 8.472 8.628 -0.156 25335 93 1 5 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.450 -0.057 25335 94 1 5 . 1 1 2 2 ALA H H 2 8.647 8.647 6.768 1.879 25335 95 1 5 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.552 -0.274 25335 96 1 5 . 1 1 3 3 ARG H H 3 8.508 8.508 8.628 -0.120 25335 97 1 5 . 1 1 4 4 GLY H H 4 8.473 8.473 8.660 -0.187 25335 98 1 5 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.877 -0.294 25335 99 1 5 . 1 1 5 5 TRP H H 5 8.035 8.035 8.959 -0.924 25335 100 1 5 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.471 -0.119 25335 101 1 5 . 1 1 6 6 LYS H H 6 8.112 8.112 7.893 0.219 25335 102 1 5 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.232 0.055 25335 103 1 5 . 1 1 7 7 ARG H H 7 8.224 8.224 8.542 -0.318 25335 104 1 5 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.231 -0.117 25335 105 1 5 . 1 1 8 8 LYS H H 8 8.035 8.035 8.352 -0.317 25335 106 1 5 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.401 0.114 25335 107 1 5 . 1 1 9 9 CYS H H 9 8.208 8.208 7.933 0.275 25335 108 1 5 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.450 -0.201 25335 109 1 5 . 1 1 11 11 LEU H H 11 8.111 8.111 6.812 1.299 25335 110 1 5 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.250 0.349 25335 111 1 5 . 1 1 12 12 PHE H H 12 8.136 8.136 7.770 0.366 25335 112 1 5 . 1 1 13 13 GLY H H 13 8.295 8.295 8.022 0.273 25335 113 1 5 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.939 0.416 25335 114 1 5 . 1 1 14 14 LYS H H 14 8.181 8.181 7.645 0.536 25335 115 1 5 . 1 1 15 15 GLY H H 15 8.472 8.472 8.446 0.026 25335 116 1 6 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.579 -0.186 25335 117 1 6 . 1 1 2 2 ALA H H 2 8.647 8.647 6.566 2.081 25335 118 1 6 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.569 -0.291 25335 119 1 6 . 1 1 3 3 ARG H H 3 8.508 8.508 8.581 -0.073 25335 120 1 6 . 1 1 4 4 GLY H H 4 8.473 8.473 8.568 -0.095 25335 121 1 6 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.864 -0.281 25335 122 1 6 . 1 1 5 5 TRP H H 5 8.035 8.035 8.986 -0.951 25335 123 1 6 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.379 -0.027 25335 124 1 6 . 1 1 6 6 LYS H H 6 8.112 8.112 7.976 0.136 25335 125 1 6 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.192 0.095 25335 126 1 6 . 1 1 7 7 ARG H H 7 8.224 8.224 8.586 -0.362 25335 127 1 6 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.239 -0.125 25335 128 1 6 . 1 1 8 8 LYS H H 8 8.035 8.035 8.361 -0.326 25335 129 1 6 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.283 0.232 25335 130 1 6 . 1 1 9 9 CYS H H 9 8.208 8.208 8.135 0.073 25335 131 1 6 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.455 -0.206 25335 132 1 6 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335 133 1 6 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.214 0.385 25335 134 1 6 . 1 1 12 12 PHE H H 12 8.136 8.136 7.698 0.438 25335 135 1 6 . 1 1 13 13 GLY H H 13 8.295 8.295 8.308 -0.013 25335 136 1 6 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.937 0.418 25335 137 1 6 . 1 1 14 14 LYS H H 14 8.181 8.181 7.651 0.530 25335 138 1 6 . 1 1 15 15 GLY H H 15 8.472 8.472 8.448 0.024 25335 139 1 7 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.500 -0.107 25335 140 1 7 . 1 1 2 2 ALA H H 2 8.647 8.647 6.740 1.907 25335 141 1 7 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.571 -0.293 25335 142 1 7 . 1 1 3 3 ARG H H 3 8.508 8.508 8.649 -0.141 25335 143 1 7 . 1 1 4 4 GLY H H 4 8.473 8.473 8.653 -0.180 25335 144 1 7 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.876 -0.293 25335 145 1 7 . 1 1 5 5 TRP H H 5 8.035 8.035 8.969 -0.934 25335 146 1 7 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.469 -0.117 25335 147 1 7 . 1 1 6 6 LYS H H 6 8.112 8.112 7.902 0.210 25335 148 1 7 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.269 0.018 25335 149 1 7 . 1 1 7 7 ARG H H 7 8.224 8.224 8.616 -0.392 25335 150 1 7 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.231 -0.117 25335 151 1 7 . 1 1 8 8 LYS H H 8 8.035 8.035 8.383 -0.348 25335 152 1 7 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.405 0.110 25335 153 1 7 . 1 1 9 9 CYS H H 9 8.208 8.208 7.927 0.281 25335 154 1 7 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.441 -0.192 25335 155 1 7 . 1 1 11 11 LEU H H 11 8.111 8.111 6.810 1.301 25335 156 1 7 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.239 0.360 25335 157 1 7 . 1 1 12 12 PHE H H 12 8.136 8.136 7.758 0.378 25335 158 1 7 . 1 1 13 13 GLY H H 13 8.295 8.295 8.079 0.216 25335 159 1 7 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.924 0.431 25335 160 1 7 . 1 1 14 14 LYS H H 14 8.181 8.181 7.673 0.508 25335 161 1 7 . 1 1 15 15 GLY H H 15 8.472 8.472 8.716 -0.244 25335 162 1 8 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.474 -0.081 25335 163 1 8 . 1 1 2 2 ALA H H 2 8.647 8.647 6.792 1.855 25335 164 1 8 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.515 -0.237 25335 165 1 8 . 1 1 3 3 ARG H H 3 8.508 8.508 8.430 0.078 25335 166 1 8 . 1 1 4 4 GLY H H 4 8.473 8.473 8.640 -0.167 25335 167 1 8 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.291 25335 168 1 8 . 1 1 5 5 TRP H H 5 8.035 8.035 8.976 -0.941 25335 169 1 8 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.492 -0.140 25335 170 1 8 . 1 1 6 6 LYS H H 6 8.112 8.112 7.921 0.191 25335 171 1 8 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.348 -0.061 25335 172 1 8 . 1 1 7 7 ARG H H 7 8.224 8.224 8.571 -0.347 25335 173 1 8 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.235 -0.121 25335 174 1 8 . 1 1 8 8 LYS H H 8 8.035 8.035 8.365 -0.330 25335 175 1 8 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.386 0.129 25335 176 1 8 . 1 1 9 9 CYS H H 9 8.208 8.208 7.911 0.297 25335 177 1 8 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.421 -0.172 25335 178 1 8 . 1 1 11 11 LEU H H 11 8.111 8.111 6.952 1.159 25335 179 1 8 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.264 0.335 25335 180 1 8 . 1 1 12 12 PHE H H 12 8.136 8.136 7.792 0.344 25335 181 1 8 . 1 1 13 13 GLY H H 13 8.295 8.295 8.054 0.241 25335 182 1 8 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.941 0.414 25335 183 1 8 . 1 1 14 14 LYS H H 14 8.181 8.181 7.674 0.507 25335 184 1 8 . 1 1 15 15 GLY H H 15 8.472 8.472 8.675 -0.203 25335 185 1 9 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.610 -0.217 25335 186 1 9 . 1 1 2 2 ALA H H 2 8.647 8.647 6.962 1.685 25335 187 1 9 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.539 -0.261 25335 188 1 9 . 1 1 3 3 ARG H H 3 8.508 8.508 8.557 -0.049 25335 189 1 9 . 1 1 4 4 GLY H H 4 8.473 8.473 8.581 -0.108 25335 190 1 9 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.865 -0.282 25335 191 1 9 . 1 1 5 5 TRP H H 5 8.035 8.035 8.984 -0.949 25335 192 1 9 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.397 -0.045 25335 193 1 9 . 1 1 6 6 LYS H H 6 8.112 8.112 8.070 0.042 25335 194 1 9 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.237 0.050 25335 195 1 9 . 1 1 7 7 ARG H H 7 8.224 8.224 8.711 -0.487 25335 196 1 9 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.235 -0.121 25335 197 1 9 . 1 1 8 8 LYS H H 8 8.035 8.035 8.350 -0.315 25335 198 1 9 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.300 0.215 25335 199 1 9 . 1 1 9 9 CYS H H 9 8.208 8.208 8.147 0.061 25335 200 1 9 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.456 -0.207 25335 201 1 9 . 1 1 11 11 LEU H H 11 8.111 8.111 6.793 1.318 25335 202 1 9 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.219 0.380 25335 203 1 9 . 1 1 12 12 PHE H H 12 8.136 8.136 7.701 0.435 25335 204 1 9 . 1 1 13 13 GLY H H 13 8.295 8.295 8.129 0.166 25335 205 1 9 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.900 0.455 25335 206 1 9 . 1 1 14 14 LYS H H 14 8.181 8.181 7.541 0.640 25335 207 1 9 . 1 1 15 15 GLY H H 15 8.472 8.472 8.561 -0.089 25335 208 1 10 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.457 -0.064 25335 209 1 10 . 1 1 2 2 ALA H H 2 8.647 8.647 6.822 1.825 25335 210 1 10 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.511 -0.233 25335 211 1 10 . 1 1 3 3 ARG H H 3 8.508 8.508 8.675 -0.167 25335 212 1 10 . 1 1 4 4 GLY H H 4 8.473 8.473 8.552 -0.079 25335 213 1 10 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.862 -0.279 25335 214 1 10 . 1 1 5 5 TRP H H 5 8.035 8.035 8.980 -0.945 25335 215 1 10 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.414 -0.062 25335 216 1 10 . 1 1 6 6 LYS H H 6 8.112 8.112 8.058 0.054 25335 217 1 10 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.233 0.054 25335 218 1 10 . 1 1 7 7 ARG H H 7 8.224 8.224 8.685 -0.461 25335 219 1 10 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.241 -0.127 25335 220 1 10 . 1 1 8 8 LYS H H 8 8.035 8.035 8.362 -0.327 25335 221 1 10 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.297 0.218 25335 222 1 10 . 1 1 9 9 CYS H H 9 8.208 8.208 8.144 0.064 25335 223 1 10 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.448 -0.199 25335 224 1 10 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335 225 1 10 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.222 0.377 25335 226 1 10 . 1 1 12 12 PHE H H 12 8.136 8.136 7.718 0.418 25335 227 1 10 . 1 1 13 13 GLY H H 13 8.295 8.295 7.955 0.340 25335 228 1 10 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.941 0.414 25335 229 1 10 . 1 1 14 14 LYS H H 14 8.181 8.181 7.616 0.565 25335 230 1 10 . 1 1 15 15 GLY H H 15 8.472 8.472 8.624 -0.152 25335 231 1 11 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.490 -0.097 25335 232 1 11 . 1 1 2 2 ALA H H 2 8.647 8.647 6.482 2.165 25335 233 1 11 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.535 -0.257 25335 234 1 11 . 1 1 3 3 ARG H H 3 8.508 8.508 8.557 -0.049 25335 235 1 11 . 1 1 4 4 GLY H H 4 8.473 8.473 8.570 -0.097 25335 236 1 11 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.876 -0.293 25335 237 1 11 . 1 1 5 5 TRP H H 5 8.035 8.035 8.954 -0.919 25335 238 1 11 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.415 -0.063 25335 239 1 11 . 1 1 6 6 LYS H H 6 8.112 8.112 7.984 0.128 25335 240 1 11 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.218 0.069 25335 241 1 11 . 1 1 7 7 ARG H H 7 8.224 8.224 8.549 -0.325 25335 242 1 11 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.230 -0.116 25335 243 1 11 . 1 1 8 8 LYS H H 8 8.035 8.035 8.397 -0.362 25335 244 1 11 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.292 0.223 25335 245 1 11 . 1 1 9 9 CYS H H 9 8.208 8.208 8.074 0.134 25335 246 1 11 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.455 -0.205 25335 247 1 11 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335 248 1 11 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335 249 1 11 . 1 1 12 12 PHE H H 12 8.136 8.136 7.696 0.440 25335 250 1 11 . 1 1 13 13 GLY H H 13 8.295 8.295 8.028 0.267 25335 251 1 11 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.934 0.421 25335 252 1 11 . 1 1 14 14 LYS H H 14 8.181 8.181 7.640 0.541 25335 253 1 11 . 1 1 15 15 GLY H H 15 8.472 8.472 8.498 -0.026 25335 254 1 12 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.513 -0.120 25335 255 1 12 . 1 1 2 2 ALA H H 2 8.647 8.647 6.616 2.031 25335 256 1 12 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.532 -0.254 25335 257 1 12 . 1 1 3 3 ARG H H 3 8.508 8.508 8.541 -0.033 25335 258 1 12 . 1 1 4 4 GLY H H 4 8.473 8.473 8.580 -0.107 25335 259 1 12 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.856 -0.273 25335 260 1 12 . 1 1 5 5 TRP H H 5 8.035 8.035 9.013 -0.978 25335 261 1 12 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.424 -0.072 25335 262 1 12 . 1 1 6 6 LYS H H 6 8.112 8.112 7.942 0.170 25335 263 1 12 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.266 0.021 25335 264 1 12 . 1 1 7 7 ARG H H 7 8.224 8.224 8.588 -0.364 25335 265 1 12 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.212 -0.098 25335 266 1 12 . 1 1 8 8 LYS H H 8 8.035 8.035 8.394 -0.359 25335 267 1 12 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.367 0.148 25335 268 1 12 . 1 1 9 9 CYS H H 9 8.208 8.208 8.107 0.101 25335 269 1 12 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.454 -0.205 25335 270 1 12 . 1 1 11 11 LEU H H 11 8.111 8.111 6.793 1.318 25335 271 1 12 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335 272 1 12 . 1 1 12 12 PHE H H 12 8.136 8.136 7.698 0.438 25335 273 1 12 . 1 1 13 13 GLY H H 13 8.295 8.295 8.276 0.019 25335 274 1 12 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.918 0.437 25335 275 1 12 . 1 1 14 14 LYS H H 14 8.181 8.181 7.757 0.424 25335 276 1 12 . 1 1 15 15 GLY H H 15 8.472 8.472 8.494 -0.022 25335 277 1 13 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.507 -0.114 25335 278 1 13 . 1 1 2 2 ALA H H 2 8.647 8.647 6.627 2.020 25335 279 1 13 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.550 -0.272 25335 280 1 13 . 1 1 3 3 ARG H H 3 8.508 8.508 8.553 -0.045 25335 281 1 13 . 1 1 4 4 GLY H H 4 8.473 8.473 8.682 -0.209 25335 282 1 13 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.877 -0.294 25335 283 1 13 . 1 1 5 5 TRP H H 5 8.035 8.035 8.962 -0.927 25335 284 1 13 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.482 -0.130 25335 285 1 13 . 1 1 6 6 LYS H H 6 8.112 8.112 7.898 0.214 25335 286 1 13 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.284 0.003 25335 287 1 13 . 1 1 7 7 ARG H H 7 8.224 8.224 8.595 -0.371 25335 288 1 13 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.230 -0.116 25335 289 1 13 . 1 1 8 8 LYS H H 8 8.035 8.035 8.392 -0.357 25335 290 1 13 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.402 0.113 25335 291 1 13 . 1 1 9 9 CYS H H 9 8.208 8.208 7.934 0.274 25335 292 1 13 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.433 -0.184 25335 293 1 13 . 1 1 11 11 LEU H H 11 8.111 8.111 6.845 1.266 25335 294 1 13 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.247 0.352 25335 295 1 13 . 1 1 12 12 PHE H H 12 8.136 8.136 7.762 0.374 25335 296 1 13 . 1 1 13 13 GLY H H 13 8.295 8.295 7.901 0.394 25335 297 1 13 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.966 0.389 25335 298 1 13 . 1 1 14 14 LYS H H 14 8.181 8.181 7.694 0.487 25335 299 1 13 . 1 1 15 15 GLY H H 15 8.472 8.472 8.608 -0.136 25335 300 1 14 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.500 -0.107 25335 301 1 14 . 1 1 2 2 ALA H H 2 8.647 8.647 6.580 2.067 25335 302 1 14 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.529 -0.251 25335 303 1 14 . 1 1 3 3 ARG H H 3 8.508 8.508 8.678 -0.170 25335 304 1 14 . 1 1 4 4 GLY H H 4 8.473 8.473 8.562 -0.089 25335 305 1 14 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.866 -0.283 25335 306 1 14 . 1 1 5 5 TRP H H 5 8.035 8.035 8.968 -0.933 25335 307 1 14 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.415 -0.063 25335 308 1 14 . 1 1 6 6 LYS H H 6 8.112 8.112 7.967 0.145 25335 309 1 14 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.211 0.076 25335 310 1 14 . 1 1 7 7 ARG H H 7 8.224 8.224 8.495 -0.271 25335 311 1 14 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.199 -0.085 25335 312 1 14 . 1 1 8 8 LYS H H 8 8.035 8.035 8.367 -0.332 25335 313 1 14 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.298 0.217 25335 314 1 14 . 1 1 9 9 CYS H H 9 8.208 8.208 8.106 0.102 25335 315 1 14 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.453 -0.204 25335 316 1 14 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335 317 1 14 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335 318 1 14 . 1 1 12 12 PHE H H 12 8.136 8.136 7.703 0.433 25335 319 1 14 . 1 1 13 13 GLY H H 13 8.295 8.295 8.012 0.283 25335 320 1 14 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.969 0.386 25335 321 1 14 . 1 1 14 14 LYS H H 14 8.181 8.181 7.602 0.579 25335 322 1 14 . 1 1 15 15 GLY H H 15 8.472 8.472 8.545 -0.073 25335 323 1 15 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.475 -0.082 25335 324 1 15 . 1 1 2 2 ALA H H 2 8.647 8.647 6.655 1.992 25335 325 1 15 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.529 -0.251 25335 326 1 15 . 1 1 3 3 ARG H H 3 8.508 8.508 8.532 -0.024 25335 327 1 15 . 1 1 4 4 GLY H H 4 8.473 8.473 8.585 -0.112 25335 328 1 15 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.858 -0.275 25335 329 1 15 . 1 1 5 5 TRP H H 5 8.035 8.035 9.014 -0.979 25335 330 1 15 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.373 -0.021 25335 331 1 15 . 1 1 6 6 LYS H H 6 8.112 8.112 7.956 0.156 25335 332 1 15 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.209 0.078 25335 333 1 15 . 1 1 7 7 ARG H H 7 8.224 8.224 8.538 -0.314 25335 334 1 15 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.233 -0.119 25335 335 1 15 . 1 1 8 8 LYS H H 8 8.035 8.035 8.384 -0.349 25335 336 1 15 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.292 0.223 25335 337 1 15 . 1 1 9 9 CYS H H 9 8.208 8.208 8.070 0.138 25335 338 1 15 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.448 -0.199 25335 339 1 15 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335 340 1 15 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.225 0.374 25335 341 1 15 . 1 1 12 12 PHE H H 12 8.136 8.136 7.721 0.415 25335 342 1 15 . 1 1 13 13 GLY H H 13 8.295 8.295 7.967 0.328 25335 343 1 15 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.928 0.427 25335 344 1 15 . 1 1 14 14 LYS H H 14 8.181 8.181 7.592 0.589 25335 345 1 15 . 1 1 15 15 GLY H H 15 8.472 8.472 8.734 -0.262 25335 346 1 16 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.474 -0.081 25335 347 1 16 . 1 1 2 2 ALA H H 2 8.647 8.647 6.683 1.964 25335 348 1 16 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.550 -0.272 25335 349 1 16 . 1 1 3 3 ARG H H 3 8.508 8.508 8.598 -0.090 25335 350 1 16 . 1 1 4 4 GLY H H 4 8.473 8.473 8.637 -0.164 25335 351 1 16 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.874 -0.291 25335 352 1 16 . 1 1 5 5 TRP H H 5 8.035 8.035 8.965 -0.930 25335 353 1 16 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.476 -0.124 25335 354 1 16 . 1 1 6 6 LYS H H 6 8.112 8.112 7.924 0.188 25335 355 1 16 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.252 0.035 25335 356 1 16 . 1 1 7 7 ARG H H 7 8.224 8.224 8.613 -0.389 25335 357 1 16 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.245 -0.131 25335 358 1 16 . 1 1 8 8 LYS H H 8 8.035 8.035 8.386 -0.351 25335 359 1 16 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.390 0.125 25335 360 1 16 . 1 1 9 9 CYS H H 9 8.208 8.208 7.960 0.248 25335 361 1 16 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.437 -0.188 25335 362 1 16 . 1 1 11 11 LEU H H 11 8.111 8.111 6.882 1.229 25335 363 1 16 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.262 0.337 25335 364 1 16 . 1 1 12 12 PHE H H 12 8.136 8.136 7.739 0.397 25335 365 1 16 . 1 1 13 13 GLY H H 13 8.295 8.295 8.025 0.270 25335 366 1 16 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.890 0.465 25335 367 1 16 . 1 1 14 14 LYS H H 14 8.181 8.181 7.706 0.475 25335 368 1 16 . 1 1 15 15 GLY H H 15 8.472 8.472 8.437 0.035 25335 369 1 17 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.448 -0.055 25335 370 1 17 . 1 1 2 2 ALA H H 2 8.647 8.647 6.970 1.677 25335 371 1 17 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.513 -0.235 25335 372 1 17 . 1 1 3 3 ARG H H 3 8.508 8.508 8.679 -0.171 25335 373 1 17 . 1 1 4 4 GLY H H 4 8.473 8.473 8.682 -0.209 25335 374 1 17 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.909 -0.326 25335 375 1 17 . 1 1 5 5 TRP H H 5 8.035 8.035 8.825 -0.790 25335 376 1 17 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.496 -0.144 25335 377 1 17 . 1 1 6 6 LYS H H 6 8.112 8.112 7.943 0.169 25335 378 1 17 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.351 -0.064 25335 379 1 17 . 1 1 7 7 ARG H H 7 8.224 8.224 8.657 -0.433 25335 380 1 17 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.243 -0.129 25335 381 1 17 . 1 1 8 8 LYS H H 8 8.035 8.035 8.378 -0.343 25335 382 1 17 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.345 0.170 25335 383 1 17 . 1 1 9 9 CYS H H 9 8.208 8.208 7.889 0.319 25335 384 1 17 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.449 -0.200 25335 385 1 17 . 1 1 11 11 LEU H H 11 8.111 8.111 6.810 1.301 25335 386 1 17 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.263 0.336 25335 387 1 17 . 1 1 12 12 PHE H H 12 8.136 8.136 7.795 0.341 25335 388 1 17 . 1 1 13 13 GLY H H 13 8.295 8.295 8.059 0.236 25335 389 1 17 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.893 0.462 25335 390 1 17 . 1 1 14 14 LYS H H 14 8.181 8.181 7.510 0.671 25335 391 1 17 . 1 1 15 15 GLY H H 15 8.472 8.472 8.562 -0.090 25335 392 1 18 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.459 -0.066 25335 393 1 18 . 1 1 2 2 ALA H H 2 8.647 8.647 6.653 1.994 25335 394 1 18 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.569 -0.291 25335 395 1 18 . 1 1 3 3 ARG H H 3 8.508 8.508 8.637 -0.129 25335 396 1 18 . 1 1 4 4 GLY H H 4 8.473 8.473 8.641 -0.168 25335 397 1 18 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.861 -0.278 25335 398 1 18 . 1 1 5 5 TRP H H 5 8.035 8.035 8.986 -0.951 25335 399 1 18 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.394 -0.042 25335 400 1 18 . 1 1 6 6 LYS H H 6 8.112 8.112 7.982 0.130 25335 401 1 18 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.202 0.085 25335 402 1 18 . 1 1 7 7 ARG H H 7 8.224 8.224 8.497 -0.273 25335 403 1 18 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.199 -0.085 25335 404 1 18 . 1 1 8 8 LYS H H 8 8.035 8.035 8.366 -0.331 25335 405 1 18 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.297 0.218 25335 406 1 18 . 1 1 9 9 CYS H H 9 8.208 8.208 8.105 0.103 25335 407 1 18 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.453 -0.204 25335 408 1 18 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335 409 1 18 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.212 0.387 25335 410 1 18 . 1 1 12 12 PHE H H 12 8.136 8.136 7.692 0.444 25335 411 1 18 . 1 1 13 13 GLY H H 13 8.295 8.295 8.106 0.189 25335 412 1 18 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.927 0.428 25335 413 1 18 . 1 1 14 14 LYS H H 14 8.181 8.181 7.628 0.553 25335 414 1 18 . 1 1 15 15 GLY H H 15 8.472 8.472 8.537 -0.065 25335 415 1 19 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.534 -0.141 25335 416 1 19 . 1 1 2 2 ALA H H 2 8.647 8.647 6.496 2.151 25335 417 1 19 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.505 -0.227 25335 418 1 19 . 1 1 3 3 ARG H H 3 8.508 8.508 8.573 -0.065 25335 419 1 19 . 1 1 4 4 GLY H H 4 8.473 8.473 8.546 -0.073 25335 420 1 19 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.853 -0.270 25335 421 1 19 . 1 1 5 5 TRP H H 5 8.035 8.035 9.004 -0.969 25335 422 1 19 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.433 -0.081 25335 423 1 19 . 1 1 6 6 LYS H H 6 8.112 8.112 7.983 0.129 25335 424 1 19 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.317 -0.030 25335 425 1 19 . 1 1 7 7 ARG H H 7 8.224 8.224 8.554 -0.330 25335 426 1 19 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.222 -0.108 25335 427 1 19 . 1 1 8 8 LYS H H 8 8.035 8.035 8.330 -0.295 25335 428 1 19 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.338 0.177 25335 429 1 19 . 1 1 9 9 CYS H H 9 8.208 8.208 8.155 0.053 25335 430 1 19 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.447 -0.198 25335 431 1 19 . 1 1 11 11 LEU H H 11 8.111 8.111 6.788 1.323 25335 432 1 19 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.217 0.382 25335 433 1 19 . 1 1 12 12 PHE H H 12 8.136 8.136 7.714 0.422 25335 434 1 19 . 1 1 13 13 GLY H H 13 8.295 8.295 7.926 0.369 25335 435 1 19 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.928 0.427 25335 436 1 19 . 1 1 14 14 LYS H H 14 8.181 8.181 7.597 0.584 25335 437 1 19 . 1 1 15 15 GLY H H 15 8.472 8.472 8.721 -0.249 25335 438 1 20 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.364 0.029 25335 439 1 20 . 1 1 2 2 ALA H H 2 8.647 8.647 6.836 1.811 25335 440 1 20 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.501 -0.223 25335 441 1 20 . 1 1 3 3 ARG H H 3 8.508 8.508 8.644 -0.136 25335 442 1 20 . 1 1 4 4 GLY H H 4 8.473 8.473 8.651 -0.178 25335 443 1 20 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.902 -0.319 25335 444 1 20 . 1 1 5 5 TRP H H 5 8.035 8.035 8.917 -0.882 25335 445 1 20 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.480 -0.128 25335 446 1 20 . 1 1 6 6 LYS H H 6 8.112 8.112 8.046 0.066 25335 447 1 20 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.154 0.133 25335 448 1 20 . 1 1 7 7 ARG H H 7 8.224 8.224 8.581 -0.357 25335 449 1 20 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.232 -0.118 25335 450 1 20 . 1 1 8 8 LYS H H 8 8.035 8.035 8.362 -0.327 25335 451 1 20 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.290 0.225 25335 452 1 20 . 1 1 9 9 CYS H H 9 8.208 8.208 8.112 0.096 25335 453 1 20 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.452 -0.203 25335 454 1 20 . 1 1 11 11 LEU H H 11 8.111 8.111 6.797 1.314 25335 455 1 20 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.209 0.390 25335 456 1 20 . 1 1 12 12 PHE H H 12 8.136 8.136 7.690 0.446 25335 457 1 20 . 1 1 13 13 GLY H H 13 8.295 8.295 8.196 0.099 25335 458 1 20 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.989 0.366 25335 459 1 20 . 1 1 14 14 LYS H H 14 8.181 8.181 7.510 0.671 25335 460 1 20 . 1 1 15 15 GLY H H 15 8.472 8.472 8.362 0.110 25335 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 25335 2 1 1 "Average Difference" HA 16 0.243 0.046 0.247 25335 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25335 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25335 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25335 6 1 1 "Average Difference" HN 13 0.778 -0.221 0.777 25335 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25335 8 1 2 "Average Difference" HA 16 0.221 0.063 0.219 25335 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25335 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25335 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25335 12 1 2 "Average Difference" HN 13 0.730 -0.167 0.740 25335 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25335 14 1 3 "Average Difference" HA 16 0.230 0.045 0.233 25335 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25335 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25335 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25335 18 1 3 "Average Difference" HN 13 0.758 -0.239 0.749 25335 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25335 20 1 4 "Average Difference" HA 16 0.248 0.028 0.254 25335 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25335 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25335 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25335 24 1 4 "Average Difference" HN 13 0.699 -0.195 0.699 25335 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25335 26 1 5 "Average Difference" HA 16 0.228 0.056 0.229 25335 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25335 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25335 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25335 30 1 5 "Average Difference" HN 13 0.731 -0.231 0.721 25335 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25335 32 1 6 "Average Difference" HA 16 0.228 0.026 0.234 25335 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25335 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25335 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25335 36 1 6 "Average Difference" HN 13 0.771 -0.214 0.771 25335 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25335 38 1 7 "Average Difference" HA 16 0.226 0.068 0.223 25335 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25335 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25335 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25335 42 1 7 "Average Difference" HN 13 0.742 -0.197 0.745 25335 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25335 44 1 8 "Average Difference" HA 16 0.217 0.065 0.214 25335 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25335 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25335 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25335 48 1 8 "Average Difference" HN 13 0.709 -0.206 0.706 25335 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25335 50 1 9 "Average Difference" HA 16 0.253 0.028 0.259 25335 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25335 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25335 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25335 54 1 9 "Average Difference" HN 13 0.705 -0.181 0.709 25335 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25335 56 1 10 "Average Difference" HA 16 0.209 0.039 0.213 25335 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25335 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25335 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25335 60 1 10 "Average Difference" HN 13 0.732 -0.189 0.736 25335 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25335 62 1 11 "Average Difference" HA 16 0.234 0.057 0.234 25335 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25335 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25335 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25335 66 1 11 "Average Difference" HN 13 0.790 -0.247 0.781 25335 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25335 68 1 12 "Average Difference" HA 16 0.216 0.025 0.221 25335 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25335 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25335 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25335 72 1 12 "Average Difference" HN 13 0.760 -0.203 0.762 25335 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25335 74 1 13 "Average Difference" HA 16 0.200 0.057 0.197 25335 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25335 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25335 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25335 78 1 13 "Average Difference" HN 13 0.761 -0.230 0.755 25335 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25335 80 1 14 "Average Difference" HA 16 0.226 0.059 0.225 25335 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25335 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25335 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25335 84 1 14 "Average Difference" HN 13 0.772 -0.236 0.765 25335 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25335 86 1 15 "Average Difference" HA 16 0.215 0.014 0.222 25335 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25335 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25335 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25335 90 1 15 "Average Difference" HN 13 0.767 -0.223 0.763 25335 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25335 92 1 16 "Average Difference" HA 16 0.222 0.017 0.228 25335 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25335 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25335 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25335 96 1 16 "Average Difference" HN 13 0.739 -0.222 0.734 25335 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25335 98 1 17 "Average Difference" HA 16 0.232 0.030 0.238 25335 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25335 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25335 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25335 102 1 17 "Average Difference" HN 13 0.694 -0.206 0.690 25335 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25335 104 1 18 "Average Difference" HA 16 0.230 0.035 0.235 25335 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25335 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25335 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25335 108 1 18 "Average Difference" HN 13 0.756 -0.217 0.754 25335 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25335 110 1 19 "Average Difference" HA 16 0.211 0.027 0.216 25335 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25335 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25335 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25335 114 1 19 "Average Difference" HN 13 0.797 -0.235 0.793 25335 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25335 116 1 20 "Average Difference" HA 16 0.249 0.074 0.246 25335 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25335 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25335 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25335 120 1 20 "Average Difference" HN 13 0.721 -0.210 0.718 25335 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 25335 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.486 -0.093 25335 2 1 . 1 1 2 2 ALA H H 2 8.647 8.647 6.710 1.937 25335 3 1 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.539 -0.261 25335 4 1 . 1 1 3 3 ARG H H 3 8.508 8.508 8.603 -0.095 25335 5 1 . 1 1 4 4 GLY H H 4 8.473 8.473 8.616 -0.143 25335 6 1 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.872 -0.289 25335 7 1 . 1 1 5 5 TRP H H 5 8.035 8.035 8.970 -0.935 25335 8 1 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.445 -0.093 25335 9 1 . 1 1 6 6 LYS H H 6 8.112 8.112 7.948 0.164 25335 10 1 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.267 0.020 25335 11 1 . 1 1 7 7 ARG H H 7 8.224 8.224 8.583 -0.359 25335 12 1 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.233 -0.119 25335 13 1 . 1 1 8 8 LYS H H 8 8.035 8.035 8.383 -0.348 25335 14 1 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.346 0.169 25335 15 1 . 1 1 9 9 CYS H H 9 8.208 8.208 8.032 0.176 25335 16 1 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.447 -0.198 25335 17 1 . 1 1 11 11 LEU H H 11 8.111 8.111 6.821 1.290 25335 18 1 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.231 0.368 25335 19 1 . 1 1 12 12 PHE H H 12 8.136 8.136 7.732 0.404 25335 20 1 . 1 1 13 13 GLY H H 13 8.295 8.295 8.069 0.226 25335 21 1 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.927 0.428 25335 22 1 . 1 1 14 14 LYS H H 14 8.181 8.181 7.625 0.556 25335 23 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.570 -0.098 25335 stop_ save_