data_25408 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25408 _Entry.PDB_ID 2MXG 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 25408 _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 4.387 4.387 5.107 -0.720 25408 2 1 1 . 1 1 2 2 ALA H H 2 8.658 8.658 8.475 0.183 25408 3 1 1 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.412 -0.120 25408 4 1 1 . 1 1 3 3 ARG H H 3 8.368 8.368 8.262 0.106 25408 5 1 1 . 1 1 4 4 GLY H H 4 8.413 8.413 8.429 -0.016 25408 6 1 1 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.886 -1.603 25408 7 1 1 . 1 1 5 5 TRP H H 5 7.909 7.909 7.694 0.215 25408 8 1 1 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.638 -0.535 25408 9 1 1 . 1 1 6 6 LYS H H 6 7.972 7.972 8.327 -0.355 25408 10 1 1 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.388 -0.159 25408 11 1 1 . 1 1 7 7 ARG H H 7 7.759 7.759 8.076 -0.317 25408 12 1 1 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.272 0.060 25408 13 1 1 . 1 1 8 8 LYS H H 8 8.145 8.145 8.522 -0.377 25408 14 1 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.747 0.074 25408 15 1 1 . 1 1 9 9 CYS H H 9 8.208 8.208 7.673 0.535 25408 16 1 1 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.196 -0.006 25408 17 1 1 . 1 1 11 11 LEU H H 11 7.840 7.840 7.850 -0.010 25408 18 1 1 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.717 -0.046 25408 19 1 1 . 1 1 12 12 PHE H H 12 7.871 7.871 7.952 -0.081 25408 20 1 1 . 1 1 13 13 GLY H H 13 8.188 8.188 8.578 -0.390 25408 21 1 1 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.139 0.256 25408 22 1 1 . 1 1 14 14 LYS H H 14 8.190 8.190 8.182 0.008 25408 23 1 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.301 0.171 25408 24 1 2 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.761 -0.374 25408 25 1 2 . 1 1 2 2 ALA H H 2 8.658 8.658 8.424 0.234 25408 26 1 2 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.492 -0.200 25408 27 1 2 . 1 1 3 3 ARG H H 3 8.368 8.368 8.127 0.241 25408 28 1 2 . 1 1 4 4 GLY H H 4 8.413 8.413 8.284 0.129 25408 29 1 2 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.791 -1.508 25408 30 1 2 . 1 1 5 5 TRP H H 5 7.909 7.909 7.988 -0.079 25408 31 1 2 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.676 -0.573 25408 32 1 2 . 1 1 6 6 LYS H H 6 7.972 7.972 7.933 0.039 25408 33 1 2 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.410 -0.181 25408 34 1 2 . 1 1 7 7 ARG H H 7 7.759 7.759 8.025 -0.266 25408 35 1 2 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.350 -0.018 25408 36 1 2 . 1 1 8 8 LYS H H 8 8.145 8.145 8.523 -0.378 25408 37 1 2 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.727 0.094 25408 38 1 2 . 1 1 9 9 CYS H H 9 8.208 8.208 7.705 0.503 25408 39 1 2 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.208 -0.018 25408 40 1 2 . 1 1 11 11 LEU H H 11 7.840 7.840 7.987 -0.147 25408 41 1 2 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.755 -0.084 25408 42 1 2 . 1 1 12 12 PHE H H 12 7.871 7.871 8.038 -0.167 25408 43 1 2 . 1 1 13 13 GLY H H 13 8.188 8.188 7.513 0.675 25408 44 1 2 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.426 -0.031 25408 45 1 2 . 1 1 14 14 LYS H H 14 8.190 8.190 7.965 0.225 25408 46 1 2 . 1 1 15 15 GLY H H 15 8.472 8.472 8.397 0.075 25408 47 1 3 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.974 -0.587 25408 48 1 3 . 1 1 2 2 ALA H H 2 8.658 8.658 8.443 0.215 25408 49 1 3 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.425 -0.133 25408 50 1 3 . 1 1 3 3 ARG H H 3 8.368 8.368 8.007 0.361 25408 51 1 3 . 1 1 4 4 GLY H H 4 8.413 8.413 8.352 0.061 25408 52 1 3 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.805 -1.522 25408 53 1 3 . 1 1 5 5 TRP H H 5 7.909 7.909 7.671 0.238 25408 54 1 3 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.685 -0.582 25408 55 1 3 . 1 1 6 6 LYS H H 6 7.972 7.972 8.262 -0.290 25408 56 1 3 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.420 -0.191 25408 57 1 3 . 1 1 7 7 ARG H H 7 7.759 7.759 8.065 -0.306 25408 58 1 3 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.306 0.026 25408 59 1 3 . 1 1 8 8 LYS H H 8 8.145 8.145 8.533 -0.388 25408 60 1 3 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.762 0.059 25408 61 1 3 . 1 1 9 9 CYS H H 9 8.208 8.208 7.734 0.474 25408 62 1 3 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.190 0.000 25408 63 1 3 . 1 1 11 11 LEU H H 11 7.840 7.840 7.799 0.041 25408 64 1 3 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.662 0.009 25408 65 1 3 . 1 1 12 12 PHE H H 12 7.871 7.871 7.951 -0.080 25408 66 1 3 . 1 1 13 13 GLY H H 13 8.188 8.188 8.711 -0.523 25408 67 1 3 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.315 0.080 25408 68 1 3 . 1 1 14 14 LYS H H 14 8.190 8.190 8.087 0.103 25408 69 1 3 . 1 1 15 15 GLY H H 15 8.472 8.472 8.492 -0.020 25408 70 1 4 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.846 -0.459 25408 71 1 4 . 1 1 2 2 ALA H H 2 8.658 8.658 8.269 0.389 25408 72 1 4 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.548 -0.256 25408 73 1 4 . 1 1 3 3 ARG H H 3 8.368 8.368 8.290 0.078 25408 74 1 4 . 1 1 4 4 GLY H H 4 8.413 8.413 8.615 -0.202 25408 75 1 4 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.948 -1.665 25408 76 1 4 . 1 1 5 5 TRP H H 5 7.909 7.909 7.813 0.096 25408 77 1 4 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.668 -0.565 25408 78 1 4 . 1 1 6 6 LYS H H 6 7.972 7.972 8.180 -0.208 25408 79 1 4 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.361 -0.132 25408 80 1 4 . 1 1 7 7 ARG H H 7 7.759 7.759 8.023 -0.264 25408 81 1 4 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.447 -0.115 25408 82 1 4 . 1 1 8 8 LYS H H 8 8.145 8.145 8.368 -0.223 25408 83 1 4 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.613 0.208 25408 84 1 4 . 1 1 9 9 CYS H H 9 8.208 8.208 7.865 0.343 25408 85 1 4 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.177 0.013 25408 86 1 4 . 1 1 11 11 LEU H H 11 7.840 7.840 8.243 -0.403 25408 87 1 4 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.834 -0.163 25408 88 1 4 . 1 1 12 12 PHE H H 12 7.871 7.871 8.097 -0.226 25408 89 1 4 . 1 1 13 13 GLY H H 13 8.188 8.188 7.517 0.671 25408 90 1 4 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.270 0.125 25408 91 1 4 . 1 1 14 14 LYS H H 14 8.190 8.190 8.127 0.063 25408 92 1 4 . 1 1 15 15 GLY H H 15 8.472 8.472 8.479 -0.007 25408 93 1 5 . 1 1 2 2 ALA HA H 2 4.387 4.387 5.058 -0.671 25408 94 1 5 . 1 1 2 2 ALA H H 2 8.658 8.658 8.566 0.092 25408 95 1 5 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.371 -0.079 25408 96 1 5 . 1 1 3 3 ARG H H 3 8.368 8.368 8.093 0.275 25408 97 1 5 . 1 1 4 4 GLY H H 4 8.413 8.413 8.087 0.326 25408 98 1 5 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.891 -1.608 25408 99 1 5 . 1 1 5 5 TRP H H 5 7.909 7.909 8.518 -0.609 25408 100 1 5 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.701 -0.598 25408 101 1 5 . 1 1 6 6 LYS H H 6 7.972 7.972 8.019 -0.047 25408 102 1 5 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.373 -0.144 25408 103 1 5 . 1 1 7 7 ARG H H 7 7.759 7.759 8.066 -0.307 25408 104 1 5 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.430 -0.098 25408 105 1 5 . 1 1 8 8 LYS H H 8 8.145 8.145 8.429 -0.284 25408 106 1 5 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.631 0.190 25408 107 1 5 . 1 1 9 9 CYS H H 9 8.208 8.208 7.789 0.419 25408 108 1 5 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.228 -0.038 25408 109 1 5 . 1 1 11 11 LEU H H 11 7.840 7.840 8.102 -0.262 25408 110 1 5 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.714 -0.043 25408 111 1 5 . 1 1 12 12 PHE H H 12 7.871 7.871 8.030 -0.159 25408 112 1 5 . 1 1 13 13 GLY H H 13 8.188 8.188 7.515 0.673 25408 113 1 5 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.218 0.176 25408 114 1 5 . 1 1 14 14 LYS H H 14 8.190 8.190 8.021 0.169 25408 115 1 5 . 1 1 15 15 GLY H H 15 8.472 8.472 8.558 -0.086 25408 116 1 6 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.814 -0.427 25408 117 1 6 . 1 1 2 2 ALA H H 2 8.658 8.658 8.479 0.179 25408 118 1 6 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.485 -0.193 25408 119 1 6 . 1 1 3 3 ARG H H 3 8.368 8.368 8.080 0.288 25408 120 1 6 . 1 1 4 4 GLY H H 4 8.413 8.413 8.605 -0.192 25408 121 1 6 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.911 -1.628 25408 122 1 6 . 1 1 5 5 TRP H H 5 7.909 7.909 8.109 -0.200 25408 123 1 6 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.691 -0.588 25408 124 1 6 . 1 1 6 6 LYS H H 6 7.972 7.972 8.101 -0.129 25408 125 1 6 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.384 -0.155 25408 126 1 6 . 1 1 7 7 ARG H H 7 7.759 7.759 8.151 -0.392 25408 127 1 6 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.291 0.041 25408 128 1 6 . 1 1 8 8 LYS H H 8 8.145 8.145 8.534 -0.389 25408 129 1 6 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.736 0.085 25408 130 1 6 . 1 1 9 9 CYS H H 9 8.208 8.208 7.599 0.609 25408 131 1 6 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.195 -0.005 25408 132 1 6 . 1 1 11 11 LEU H H 11 7.840 7.840 7.888 -0.048 25408 133 1 6 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.716 -0.045 25408 134 1 6 . 1 1 12 12 PHE H H 12 7.871 7.871 7.918 -0.047 25408 135 1 6 . 1 1 13 13 GLY H H 13 8.188 8.188 8.432 -0.244 25408 136 1 6 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.272 0.123 25408 137 1 6 . 1 1 14 14 LYS H H 14 8.190 8.190 7.828 0.362 25408 138 1 6 . 1 1 15 15 GLY H H 15 8.472 8.472 8.766 -0.294 25408 139 1 7 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.640 -0.253 25408 140 1 7 . 1 1 2 2 ALA H H 2 8.658 8.658 8.421 0.237 25408 141 1 7 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.488 -0.196 25408 142 1 7 . 1 1 3 3 ARG H H 3 8.368 8.368 8.152 0.216 25408 143 1 7 . 1 1 4 4 GLY H H 4 8.413 8.413 8.085 0.328 25408 144 1 7 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.780 -1.497 25408 145 1 7 . 1 1 5 5 TRP H H 5 7.909 7.909 8.047 -0.138 25408 146 1 7 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.727 -0.624 25408 147 1 7 . 1 1 6 6 LYS H H 6 7.972 7.972 8.102 -0.130 25408 148 1 7 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.416 -0.187 25408 149 1 7 . 1 1 7 7 ARG H H 7 7.759 7.759 8.049 -0.290 25408 150 1 7 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.315 0.017 25408 151 1 7 . 1 1 8 8 LYS H H 8 8.145 8.145 8.530 -0.385 25408 152 1 7 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.764 0.057 25408 153 1 7 . 1 1 9 9 CYS H H 9 8.208 8.208 7.747 0.461 25408 154 1 7 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.188 0.002 25408 155 1 7 . 1 1 11 11 LEU H H 11 7.840 7.840 7.764 0.076 25408 156 1 7 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.702 -0.031 25408 157 1 7 . 1 1 12 12 PHE H H 12 7.871 7.871 7.922 -0.051 25408 158 1 7 . 1 1 13 13 GLY H H 13 8.188 8.188 8.563 -0.375 25408 159 1 7 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.232 0.163 25408 160 1 7 . 1 1 14 14 LYS H H 14 8.190 8.190 7.990 0.200 25408 161 1 7 . 1 1 15 15 GLY H H 15 8.472 8.472 8.373 0.099 25408 162 1 8 . 1 1 2 2 ALA HA H 2 4.387 4.387 5.020 -0.633 25408 163 1 8 . 1 1 2 2 ALA H H 2 8.658 8.658 8.414 0.244 25408 164 1 8 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.460 -0.168 25408 165 1 8 . 1 1 3 3 ARG H H 3 8.368 8.368 8.198 0.170 25408 166 1 8 . 1 1 4 4 GLY H H 4 8.413 8.413 8.474 -0.061 25408 167 1 8 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.919 -1.636 25408 168 1 8 . 1 1 5 5 TRP H H 5 7.909 7.909 7.803 0.106 25408 169 1 8 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.591 -0.488 25408 170 1 8 . 1 1 6 6 LYS H H 6 7.972 7.972 8.186 -0.214 25408 171 1 8 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.499 -0.270 25408 172 1 8 . 1 1 7 7 ARG H H 7 7.759 7.759 8.125 -0.366 25408 173 1 8 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.436 -0.104 25408 174 1 8 . 1 1 8 8 LYS H H 8 8.145 8.145 8.436 -0.291 25408 175 1 8 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.610 0.211 25408 176 1 8 . 1 1 9 9 CYS H H 9 8.208 8.208 7.888 0.320 25408 177 1 8 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.215 -0.025 25408 178 1 8 . 1 1 11 11 LEU H H 11 7.840 7.840 7.935 -0.095 25408 179 1 8 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.648 0.023 25408 180 1 8 . 1 1 12 12 PHE H H 12 7.871 7.871 8.055 -0.184 25408 181 1 8 . 1 1 13 13 GLY H H 13 8.188 8.188 7.472 0.716 25408 182 1 8 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.249 0.146 25408 183 1 8 . 1 1 14 14 LYS H H 14 8.190 8.190 8.330 -0.140 25408 184 1 8 . 1 1 15 15 GLY H H 15 8.472 8.472 8.725 -0.253 25408 185 1 9 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.552 -0.165 25408 186 1 9 . 1 1 2 2 ALA H H 2 8.658 8.658 8.477 0.181 25408 187 1 9 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.226 0.066 25408 188 1 9 . 1 1 3 3 ARG H H 3 8.368 8.368 7.618 0.750 25408 189 1 9 . 1 1 4 4 GLY H H 4 8.413 8.413 8.221 0.192 25408 190 1 9 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.750 -1.467 25408 191 1 9 . 1 1 5 5 TRP H H 5 7.909 7.909 8.271 -0.362 25408 192 1 9 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.608 -0.505 25408 193 1 9 . 1 1 6 6 LYS H H 6 7.972 7.972 7.816 0.156 25408 194 1 9 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.490 -0.261 25408 195 1 9 . 1 1 7 7 ARG H H 7 7.759 7.759 7.749 0.010 25408 196 1 9 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.371 -0.039 25408 197 1 9 . 1 1 8 8 LYS H H 8 8.145 8.145 8.521 -0.376 25408 198 1 9 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.755 0.066 25408 199 1 9 . 1 1 9 9 CYS H H 9 8.208 8.208 7.708 0.500 25408 200 1 9 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.218 -0.028 25408 201 1 9 . 1 1 11 11 LEU H H 11 7.840 7.840 7.960 -0.120 25408 202 1 9 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.639 0.032 25408 203 1 9 . 1 1 12 12 PHE H H 12 7.871 7.871 8.036 -0.165 25408 204 1 9 . 1 1 13 13 GLY H H 13 8.188 8.188 7.464 0.724 25408 205 1 9 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.339 0.056 25408 206 1 9 . 1 1 14 14 LYS H H 14 8.190 8.190 8.217 -0.027 25408 207 1 9 . 1 1 15 15 GLY H H 15 8.472 8.472 8.457 0.015 25408 208 1 10 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.824 -0.437 25408 209 1 10 . 1 1 2 2 ALA H H 2 8.658 8.658 8.421 0.237 25408 210 1 10 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.492 -0.200 25408 211 1 10 . 1 1 3 3 ARG H H 3 8.368 8.368 8.167 0.201 25408 212 1 10 . 1 1 4 4 GLY H H 4 8.413 8.413 8.639 -0.226 25408 213 1 10 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.894 -1.611 25408 214 1 10 . 1 1 5 5 TRP H H 5 7.909 7.909 7.980 -0.071 25408 215 1 10 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.711 -0.608 25408 216 1 10 . 1 1 6 6 LYS H H 6 7.972 7.972 7.885 0.087 25408 217 1 10 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.431 -0.202 25408 218 1 10 . 1 1 7 7 ARG H H 7 7.759 7.759 8.100 -0.341 25408 219 1 10 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.303 0.029 25408 220 1 10 . 1 1 8 8 LYS H H 8 8.145 8.145 8.523 -0.378 25408 221 1 10 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.733 0.088 25408 222 1 10 . 1 1 9 9 CYS H H 9 8.208 8.208 7.643 0.565 25408 223 1 10 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.191 -0.001 25408 224 1 10 . 1 1 11 11 LEU H H 11 7.840 7.840 7.815 0.025 25408 225 1 10 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.700 -0.029 25408 226 1 10 . 1 1 12 12 PHE H H 12 7.871 7.871 7.954 -0.083 25408 227 1 10 . 1 1 13 13 GLY H H 13 8.188 8.188 8.663 -0.475 25408 228 1 10 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.381 0.014 25408 229 1 10 . 1 1 14 14 LYS H H 14 8.190 8.190 8.050 0.140 25408 230 1 10 . 1 1 15 15 GLY H H 15 8.472 8.472 8.276 0.196 25408 231 1 11 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.705 -0.318 25408 232 1 11 . 1 1 2 2 ALA H H 2 8.658 8.658 8.643 0.015 25408 233 1 11 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.440 -0.148 25408 234 1 11 . 1 1 3 3 ARG H H 3 8.368 8.368 7.761 0.607 25408 235 1 11 . 1 1 4 4 GLY H H 4 8.413 8.413 8.368 0.045 25408 236 1 11 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.734 -1.451 25408 237 1 11 . 1 1 5 5 TRP H H 5 7.909 7.909 7.970 -0.061 25408 238 1 11 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.688 -0.585 25408 239 1 11 . 1 1 6 6 LYS H H 6 7.972 7.972 7.984 -0.012 25408 240 1 11 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.409 -0.180 25408 241 1 11 . 1 1 7 7 ARG H H 7 7.759 7.759 8.059 -0.300 25408 242 1 11 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.317 0.015 25408 243 1 11 . 1 1 8 8 LYS H H 8 8.145 8.145 8.538 -0.393 25408 244 1 11 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.721 0.100 25408 245 1 11 . 1 1 9 9 CYS H H 9 8.208 8.208 7.742 0.466 25408 246 1 11 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.263 -0.073 25408 247 1 11 . 1 1 11 11 LEU H H 11 7.840 7.840 7.948 -0.108 25408 248 1 11 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.595 0.076 25408 249 1 11 . 1 1 12 12 PHE H H 12 7.871 7.871 8.054 -0.183 25408 250 1 11 . 1 1 13 13 GLY H H 13 8.188 8.188 7.568 0.620 25408 251 1 11 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.270 0.125 25408 252 1 11 . 1 1 14 14 LYS H H 14 8.190 8.190 8.415 -0.225 25408 253 1 11 . 1 1 15 15 GLY H H 15 8.472 8.472 8.582 -0.110 25408 254 1 12 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.708 -0.321 25408 255 1 12 . 1 1 2 2 ALA H H 2 8.658 8.658 8.493 0.165 25408 256 1 12 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.533 -0.241 25408 257 1 12 . 1 1 3 3 ARG H H 3 8.368 8.368 8.163 0.205 25408 258 1 12 . 1 1 4 4 GLY H H 4 8.413 8.413 8.314 0.099 25408 259 1 12 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.708 -1.425 25408 260 1 12 . 1 1 5 5 TRP H H 5 7.909 7.909 7.860 0.049 25408 261 1 12 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.785 -0.682 25408 262 1 12 . 1 1 6 6 LYS H H 6 7.972 7.972 8.062 -0.090 25408 263 1 12 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.446 -0.217 25408 264 1 12 . 1 1 7 7 ARG H H 7 7.759 7.759 7.794 -0.035 25408 265 1 12 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.394 -0.062 25408 266 1 12 . 1 1 8 8 LYS H H 8 8.145 8.145 8.494 -0.349 25408 267 1 12 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.802 0.019 25408 268 1 12 . 1 1 9 9 CYS H H 9 8.208 8.208 7.882 0.326 25408 269 1 12 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.365 -0.175 25408 270 1 12 . 1 1 11 11 LEU H H 11 7.840 7.840 8.292 -0.452 25408 271 1 12 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.561 0.110 25408 272 1 12 . 1 1 12 12 PHE H H 12 7.871 7.871 8.224 -0.353 25408 273 1 12 . 1 1 13 13 GLY H H 13 8.188 8.188 8.384 -0.196 25408 274 1 12 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.299 0.096 25408 275 1 12 . 1 1 14 14 LYS H H 14 8.190 8.190 7.785 0.405 25408 276 1 12 . 1 1 15 15 GLY H H 15 8.472 8.472 8.526 -0.054 25408 277 1 13 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.710 -0.323 25408 278 1 13 . 1 1 2 2 ALA H H 2 8.658 8.658 8.631 0.027 25408 279 1 13 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.120 0.172 25408 280 1 13 . 1 1 3 3 ARG H H 3 8.368 8.368 8.261 0.107 25408 281 1 13 . 1 1 4 4 GLY H H 4 8.413 8.413 7.911 0.502 25408 282 1 13 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.743 -1.460 25408 283 1 13 . 1 1 5 5 TRP H H 5 7.909 7.909 8.578 -0.669 25408 284 1 13 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.758 -0.655 25408 285 1 13 . 1 1 6 6 LYS H H 6 7.972 7.972 7.940 0.032 25408 286 1 13 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.479 -0.250 25408 287 1 13 . 1 1 7 7 ARG H H 7 7.759 7.759 8.002 -0.243 25408 288 1 13 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.336 -0.004 25408 289 1 13 . 1 1 8 8 LYS H H 8 8.145 8.145 8.562 -0.417 25408 290 1 13 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.700 0.121 25408 291 1 13 . 1 1 9 9 CYS H H 9 8.208 8.208 7.586 0.622 25408 292 1 13 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.252 -0.062 25408 293 1 13 . 1 1 11 11 LEU H H 11 7.840 7.840 7.765 0.075 25408 294 1 13 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.631 0.040 25408 295 1 13 . 1 1 12 12 PHE H H 12 7.871 7.871 7.969 -0.098 25408 296 1 13 . 1 1 13 13 GLY H H 13 8.188 8.188 8.027 0.161 25408 297 1 13 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.513 -0.118 25408 298 1 13 . 1 1 14 14 LYS H H 14 8.190 8.190 8.312 -0.122 25408 299 1 13 . 1 1 15 15 GLY H H 15 8.472 8.472 8.186 0.286 25408 300 1 14 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.488 -0.101 25408 301 1 14 . 1 1 2 2 ALA H H 2 8.658 8.658 8.581 0.077 25408 302 1 14 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.489 -0.197 25408 303 1 14 . 1 1 3 3 ARG H H 3 8.368 8.368 8.089 0.279 25408 304 1 14 . 1 1 4 4 GLY H H 4 8.413 8.413 8.329 0.084 25408 305 1 14 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.753 -1.470 25408 306 1 14 . 1 1 5 5 TRP H H 5 7.909 7.909 7.888 0.021 25408 307 1 14 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.708 -0.605 25408 308 1 14 . 1 1 6 6 LYS H H 6 7.972 7.972 7.774 0.198 25408 309 1 14 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.428 -0.199 25408 310 1 14 . 1 1 7 7 ARG H H 7 7.759 7.759 8.076 -0.317 25408 311 1 14 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.434 -0.102 25408 312 1 14 . 1 1 8 8 LYS H H 8 8.145 8.145 8.373 -0.228 25408 313 1 14 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.567 0.254 25408 314 1 14 . 1 1 9 9 CYS H H 9 8.208 8.208 7.826 0.382 25408 315 1 14 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.236 -0.046 25408 316 1 14 . 1 1 11 11 LEU H H 11 7.840 7.840 7.755 0.085 25408 317 1 14 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.498 0.173 25408 318 1 14 . 1 1 12 12 PHE H H 12 7.871 7.871 7.980 -0.109 25408 319 1 14 . 1 1 13 13 GLY H H 13 8.188 8.188 7.712 0.476 25408 320 1 14 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.413 -0.018 25408 321 1 14 . 1 1 14 14 LYS H H 14 8.190 8.190 8.239 -0.049 25408 322 1 14 . 1 1 15 15 GLY H H 15 8.472 8.472 8.036 0.436 25408 323 1 15 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.758 -0.371 25408 324 1 15 . 1 1 2 2 ALA H H 2 8.658 8.658 8.451 0.207 25408 325 1 15 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.176 0.116 25408 326 1 15 . 1 1 3 3 ARG H H 3 8.368 8.368 8.252 0.116 25408 327 1 15 . 1 1 4 4 GLY H H 4 8.413 8.413 7.891 0.522 25408 328 1 15 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.751 -1.468 25408 329 1 15 . 1 1 5 5 TRP H H 5 7.909 7.909 7.964 -0.055 25408 330 1 15 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.763 -0.660 25408 331 1 15 . 1 1 6 6 LYS H H 6 7.972 7.972 8.068 -0.096 25408 332 1 15 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.439 -0.210 25408 333 1 15 . 1 1 7 7 ARG H H 7 7.759 7.759 7.931 -0.172 25408 334 1 15 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.319 0.013 25408 335 1 15 . 1 1 8 8 LYS H H 8 8.145 8.145 8.524 -0.379 25408 336 1 15 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.855 -0.034 25408 337 1 15 . 1 1 9 9 CYS H H 9 8.208 8.208 8.014 0.194 25408 338 1 15 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.444 -0.254 25408 339 1 15 . 1 1 11 11 LEU H H 11 7.840 7.840 8.205 -0.365 25408 340 1 15 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.762 -0.091 25408 341 1 15 . 1 1 12 12 PHE H H 12 7.871 7.871 8.518 -0.647 25408 342 1 15 . 1 1 13 13 GLY H H 13 8.188 8.188 8.245 -0.057 25408 343 1 15 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.579 -0.184 25408 344 1 15 . 1 1 14 14 LYS H H 14 8.190 8.190 7.939 0.251 25408 345 1 15 . 1 1 15 15 GLY H H 15 8.472 8.472 7.654 0.818 25408 346 1 16 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.486 -0.099 25408 347 1 16 . 1 1 2 2 ALA H H 2 8.658 8.658 8.504 0.154 25408 348 1 16 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.167 0.125 25408 349 1 16 . 1 1 3 3 ARG H H 3 8.368 8.368 7.810 0.558 25408 350 1 16 . 1 1 4 4 GLY H H 4 8.413 8.413 8.085 0.328 25408 351 1 16 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.663 -1.380 25408 352 1 16 . 1 1 5 5 TRP H H 5 7.909 7.909 8.737 -0.828 25408 353 1 16 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.766 -0.663 25408 354 1 16 . 1 1 6 6 LYS H H 6 7.972 7.972 7.980 -0.008 25408 355 1 16 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.430 -0.201 25408 356 1 16 . 1 1 7 7 ARG H H 7 7.759 7.759 7.833 -0.074 25408 357 1 16 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.348 -0.016 25408 358 1 16 . 1 1 8 8 LYS H H 8 8.145 8.145 8.513 -0.368 25408 359 1 16 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.817 0.004 25408 360 1 16 . 1 1 9 9 CYS H H 9 8.208 8.208 7.761 0.447 25408 361 1 16 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.252 -0.062 25408 362 1 16 . 1 1 11 11 LEU H H 11 7.840 7.840 7.862 -0.022 25408 363 1 16 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.661 0.010 25408 364 1 16 . 1 1 12 12 PHE H H 12 7.871 7.871 7.948 -0.077 25408 365 1 16 . 1 1 13 13 GLY H H 13 8.188 8.188 8.501 -0.313 25408 366 1 16 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.494 -0.099 25408 367 1 16 . 1 1 14 14 LYS H H 14 8.190 8.190 7.846 0.344 25408 368 1 16 . 1 1 15 15 GLY H H 15 8.472 8.472 8.615 -0.143 25408 369 1 17 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.750 -0.363 25408 370 1 17 . 1 1 2 2 ALA H H 2 8.658 8.658 8.382 0.276 25408 371 1 17 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.582 -0.290 25408 372 1 17 . 1 1 3 3 ARG H H 3 8.368 8.368 8.490 -0.122 25408 373 1 17 . 1 1 4 4 GLY H H 4 8.413 8.413 8.922 -0.509 25408 374 1 17 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.860 -1.577 25408 375 1 17 . 1 1 5 5 TRP H H 5 7.909 7.909 7.600 0.309 25408 376 1 17 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.688 -0.585 25408 377 1 17 . 1 1 6 6 LYS H H 6 7.972 7.972 8.318 -0.346 25408 378 1 17 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.362 -0.133 25408 379 1 17 . 1 1 7 7 ARG H H 7 7.759 7.759 8.071 -0.312 25408 380 1 17 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.427 -0.095 25408 381 1 17 . 1 1 8 8 LYS H H 8 8.145 8.145 8.431 -0.286 25408 382 1 17 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.725 0.096 25408 383 1 17 . 1 1 9 9 CYS H H 9 8.208 8.208 7.787 0.421 25408 384 1 17 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.367 -0.177 25408 385 1 17 . 1 1 11 11 LEU H H 11 7.840 7.840 8.295 -0.455 25408 386 1 17 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.733 -0.062 25408 387 1 17 . 1 1 12 12 PHE H H 12 7.871 7.871 8.495 -0.624 25408 388 1 17 . 1 1 13 13 GLY H H 13 8.188 8.188 8.098 0.090 25408 389 1 17 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.254 0.141 25408 390 1 17 . 1 1 14 14 LYS H H 14 8.190 8.190 8.220 -0.030 25408 391 1 17 . 1 1 15 15 GLY H H 15 8.472 8.472 8.455 0.017 25408 392 1 18 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.960 -0.573 25408 393 1 18 . 1 1 2 2 ALA H H 2 8.658 8.658 8.411 0.247 25408 394 1 18 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.448 -0.156 25408 395 1 18 . 1 1 3 3 ARG H H 3 8.368 8.368 8.632 -0.264 25408 396 1 18 . 1 1 4 4 GLY H H 4 8.413 8.413 8.548 -0.135 25408 397 1 18 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.955 -1.672 25408 398 1 18 . 1 1 5 5 TRP H H 5 7.909 7.909 7.738 0.171 25408 399 1 18 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.727 -0.624 25408 400 1 18 . 1 1 6 6 LYS H H 6 7.972 7.972 8.153 -0.181 25408 401 1 18 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.345 -0.116 25408 402 1 18 . 1 1 7 7 ARG H H 7 7.759 7.759 8.247 -0.488 25408 403 1 18 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.423 -0.091 25408 404 1 18 . 1 1 8 8 LYS H H 8 8.145 8.145 8.442 -0.297 25408 405 1 18 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.741 0.080 25408 406 1 18 . 1 1 9 9 CYS H H 9 8.208 8.208 7.822 0.386 25408 407 1 18 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.361 -0.171 25408 408 1 18 . 1 1 11 11 LEU H H 11 7.840 7.840 8.308 -0.468 25408 409 1 18 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.522 0.149 25408 410 1 18 . 1 1 12 12 PHE H H 12 7.871 7.871 8.366 -0.495 25408 411 1 18 . 1 1 13 13 GLY H H 13 8.188 8.188 7.970 0.218 25408 412 1 18 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.266 0.129 25408 413 1 18 . 1 1 14 14 LYS H H 14 8.190 8.190 8.369 -0.179 25408 414 1 18 . 1 1 15 15 GLY H H 15 8.472 8.472 8.284 0.188 25408 415 1 19 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.637 -0.250 25408 416 1 19 . 1 1 2 2 ALA H H 2 8.658 8.658 8.455 0.203 25408 417 1 19 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.583 -0.291 25408 418 1 19 . 1 1 3 3 ARG H H 3 8.368 8.368 7.932 0.436 25408 419 1 19 . 1 1 4 4 GLY H H 4 8.413 8.413 8.796 -0.383 25408 420 1 19 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.911 -1.628 25408 421 1 19 . 1 1 5 5 TRP H H 5 7.909 7.909 7.678 0.231 25408 422 1 19 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.723 -0.620 25408 423 1 19 . 1 1 6 6 LYS H H 6 7.972 7.972 8.179 -0.207 25408 424 1 19 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.416 -0.187 25408 425 1 19 . 1 1 7 7 ARG H H 7 7.759 7.759 8.112 -0.353 25408 426 1 19 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.447 -0.115 25408 427 1 19 . 1 1 8 8 LYS H H 8 8.145 8.145 8.504 -0.359 25408 428 1 19 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.734 0.087 25408 429 1 19 . 1 1 9 9 CYS H H 9 8.208 8.208 7.823 0.385 25408 430 1 19 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.350 -0.160 25408 431 1 19 . 1 1 11 11 LEU H H 11 7.840 7.840 8.269 -0.429 25408 432 1 19 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.564 0.107 25408 433 1 19 . 1 1 12 12 PHE H H 12 7.871 7.871 8.301 -0.430 25408 434 1 19 . 1 1 13 13 GLY H H 13 8.188 8.188 8.190 -0.002 25408 435 1 19 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.468 -0.073 25408 436 1 19 . 1 1 14 14 LYS H H 14 8.190 8.190 8.285 -0.095 25408 437 1 19 . 1 1 15 15 GLY H H 15 8.472 8.472 8.368 0.104 25408 438 1 20 . 1 1 2 2 ALA HA H 2 4.387 4.387 4.509 -0.122 25408 439 1 20 . 1 1 2 2 ALA H H 2 8.658 8.658 8.492 0.166 25408 440 1 20 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.212 0.080 25408 441 1 20 . 1 1 3 3 ARG H H 3 8.368 8.368 7.937 0.431 25408 442 1 20 . 1 1 4 4 GLY H H 4 8.413 8.413 8.665 -0.252 25408 443 1 20 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.824 -1.541 25408 444 1 20 . 1 1 5 5 TRP H H 5 7.909 7.909 7.771 0.138 25408 445 1 20 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.618 -0.515 25408 446 1 20 . 1 1 6 6 LYS H H 6 7.972 7.972 8.195 -0.223 25408 447 1 20 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.406 -0.177 25408 448 1 20 . 1 1 7 7 ARG H H 7 7.759 7.759 8.087 -0.328 25408 449 1 20 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.336 -0.004 25408 450 1 20 . 1 1 8 8 LYS H H 8 8.145 8.145 8.554 -0.409 25408 451 1 20 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.712 0.109 25408 452 1 20 . 1 1 9 9 CYS H H 9 8.208 8.208 7.758 0.450 25408 453 1 20 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.217 -0.027 25408 454 1 20 . 1 1 11 11 LEU H H 11 7.840 7.840 8.053 -0.213 25408 455 1 20 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.808 -0.137 25408 456 1 20 . 1 1 12 12 PHE H H 12 7.871 7.871 8.010 -0.139 25408 457 1 20 . 1 1 13 13 GLY H H 13 8.188 8.188 7.582 0.606 25408 458 1 20 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.360 0.035 25408 459 1 20 . 1 1 14 14 LYS H H 14 8.190 8.190 8.088 0.102 25408 460 1 20 . 1 1 15 15 GLY H H 15 8.472 8.472 8.459 0.013 25408 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 25408 2 1 1 "Average Difference" HA 16 0.475 0.207 0.442 25408 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25408 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25408 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25408 6 1 1 "Average Difference" HN 13 0.268 0.025 0.278 25408 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25408 8 1 2 "Average Difference" HA 16 0.425 0.215 0.378 25408 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25408 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25408 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25408 12 1 2 "Average Difference" HN 13 0.300 -0.083 0.299 25408 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25408 14 1 3 "Average Difference" HA 16 0.456 0.214 0.416 25408 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25408 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25408 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25408 18 1 3 "Average Difference" HN 13 0.289 0.009 0.300 25408 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25408 20 1 4 "Average Difference" HA 16 0.478 0.230 0.433 25408 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25408 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25408 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25408 24 1 4 "Average Difference" HN 13 0.298 -0.008 0.310 25408 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25408 26 1 5 "Average Difference" HA 16 0.477 0.229 0.432 25408 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25408 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25408 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25408 30 1 5 "Average Difference" HN 13 0.339 -0.015 0.353 25408 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25408 32 1 6 "Average Difference" HA 16 0.462 0.225 0.417 25408 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25408 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25408 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25408 36 1 6 "Average Difference" HN 13 0.299 0.038 0.309 25408 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25408 38 1 7 "Average Difference" HA 16 0.430 0.144 0.418 25408 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25408 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25408 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25408 42 1 7 "Average Difference" HN 13 0.262 -0.019 0.272 25408 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25408 44 1 8 "Average Difference" HA 16 0.474 0.207 0.440 25408 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25408 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25408 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25408 48 1 8 "Average Difference" HN 13 0.292 0.004 0.304 25408 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25408 50 1 9 "Average Difference" HA 16 0.407 0.162 0.385 25408 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25408 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25408 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25408 54 1 9 "Average Difference" HN 13 0.366 -0.114 0.363 25408 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25408 56 1 10 "Average Difference" HA 16 0.454 0.176 0.432 25408 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25408 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25408 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25408 60 1 10 "Average Difference" HN 13 0.282 0.009 0.293 25408 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25408 62 1 11 "Average Difference" HA 16 0.415 0.154 0.398 25408 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25408 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25408 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25408 66 1 11 "Average Difference" HN 13 0.320 -0.028 0.331 25408 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25408 68 1 12 "Average Difference" HA 16 0.423 0.199 0.385 25408 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25408 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25408 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25408 72 1 12 "Average Difference" HN 13 0.256 0.022 0.266 25408 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25408 74 1 13 "Average Difference" HA 16 0.434 0.228 0.381 25408 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25408 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25408 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25408 78 1 13 "Average Difference" HN 13 0.336 -0.020 0.349 25408 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25408 80 1 14 "Average Difference" HA 16 0.415 0.167 0.393 25408 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25408 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25408 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25408 84 1 14 "Average Difference" HN 13 0.258 -0.103 0.247 25408 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25408 86 1 15 "Average Difference" HA 16 0.432 0.215 0.388 25408 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25408 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25408 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25408 90 1 15 "Average Difference" HN 13 0.376 -0.026 0.391 25408 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25408 92 1 16 "Average Difference" HA 16 0.405 0.201 0.363 25408 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25408 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25408 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25408 96 1 16 "Average Difference" HN 13 0.363 0.000 0.378 25408 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25408 98 1 17 "Average Difference" HA 16 0.457 0.225 0.411 25408 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25408 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25408 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25408 102 1 17 "Average Difference" HN 13 0.343 0.121 0.334 25408 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25408 104 1 18 "Average Difference" HA 16 0.481 0.167 0.466 25408 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25408 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25408 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25408 108 1 18 "Average Difference" HN 13 0.312 0.100 0.308 25408 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25408 110 1 19 "Average Difference" HA 16 0.486 0.245 0.433 25408 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25408 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25408 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25408 114 1 19 "Average Difference" HN 13 0.312 0.069 0.317 25408 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25408 116 1 20 "Average Difference" HA 16 0.430 0.205 0.390 25408 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25408 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25408 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25408 120 1 20 "Average Difference" HN 13 0.312 -0.026 0.324 25408 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 25408 _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 4.387 4.387 4.765 -0.378 25408 2 1 . 1 1 2 2 ALA H H 2 8.658 8.658 8.472 0.186 25408 3 1 . 1 1 3 3 ARG HA H 3 4.292 4.292 4.407 -0.115 25408 4 1 . 1 1 3 3 ARG H H 3 8.368 8.368 8.116 0.252 25408 5 1 . 1 1 4 4 GLY H H 4 8.413 8.413 8.381 0.032 25408 6 1 . 1 1 5 5 TRP HA H 5 3.283 3.283 4.824 -1.541 25408 7 1 . 1 1 5 5 TRP H H 5 7.909 7.909 7.984 -0.075 25408 8 1 . 1 1 6 6 LYS HA H 6 4.103 4.103 4.696 -0.593 25408 9 1 . 1 1 6 6 LYS H H 6 7.972 7.972 8.073 -0.101 25408 10 1 . 1 1 7 7 ARG HA H 7 4.229 4.229 4.417 -0.188 25408 11 1 . 1 1 7 7 ARG H H 7 7.759 7.759 8.032 -0.273 25408 12 1 . 1 1 8 8 LYS HA H 8 4.332 4.332 4.365 -0.033 25408 13 1 . 1 1 8 8 LYS H H 8 8.145 8.145 8.493 -0.348 25408 14 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.723 0.098 25408 15 1 . 1 1 9 9 CYS H H 9 8.208 8.208 7.768 0.440 25408 16 1 . 1 1 11 11 LEU HA H 11 4.190 4.190 4.256 -0.066 25408 17 1 . 1 1 11 11 LEU H H 11 7.840 7.840 8.005 -0.165 25408 18 1 . 1 1 12 12 PHE HA H 12 4.671 4.671 4.671 -0.000 25408 19 1 . 1 1 12 12 PHE H H 12 7.871 7.871 8.091 -0.220 25408 20 1 . 1 1 13 13 GLY H H 13 8.188 8.188 8.035 0.153 25408 21 1 . 1 1 14 14 LYS HA H 14 4.395 4.395 4.338 0.057 25408 22 1 . 1 1 14 14 LYS H H 14 8.190 8.190 8.115 0.075 25408 23 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.399 0.073 25408 stop_ save_