data_25212 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25212 _Entry.PDB_ID 2MUH 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 25212 _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 GLY H H 2 8.946 8.946 8.546 0.400 25212 2 1 1 . 1 1 3 3 GLY H H 3 8.333 8.333 8.287 0.046 25212 3 1 1 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.737 -0.357 25212 4 1 1 . 1 1 4 4 ARG H H 4 8.283 8.283 8.842 -0.559 25212 5 1 1 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.688 -0.138 25212 6 1 1 . 1 1 5 5 LEU H H 5 8.486 8.486 8.218 0.268 25212 7 1 1 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.250 0.444 25212 8 1 1 . 1 1 6 6 CYS H H 6 8.298 8.298 8.184 0.114 25212 9 1 1 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.488 0.187 25212 10 1 1 . 1 1 7 7 TYR H H 7 8.184 8.184 8.834 -0.650 25212 11 1 1 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.961 0.734 25212 12 1 1 . 1 1 8 8 CYS H H 8 9.155 9.155 8.740 0.415 25212 13 1 1 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.546 -0.199 25212 14 1 1 . 1 1 9 9 ARG H H 9 9.231 9.231 8.600 0.631 25212 15 1 1 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.862 -0.088 25212 16 1 1 . 1 1 10 10 ARG H H 10 9.236 9.236 8.729 0.507 25212 17 1 1 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.472 -0.501 25212 18 1 1 . 1 1 11 11 ARG H H 11 8.125 8.125 8.284 -0.159 25212 19 1 1 . 1 1 12 12 PHE HA H 12 3.862 3.862 5.031 -1.169 25212 20 1 1 . 1 1 12 12 PHE H H 12 8.478 8.478 7.828 0.650 25212 21 1 1 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.503 0.171 25212 22 1 1 . 1 1 13 13 CYS H H 13 8.807 8.807 8.638 0.169 25212 23 1 1 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.554 -0.174 25212 24 1 1 . 1 1 14 14 VAL H H 14 8.945 8.945 9.212 -0.267 25212 25 1 1 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.219 0.346 25212 26 1 1 . 1 1 15 15 CYS H H 15 8.858 8.858 8.456 0.402 25212 27 1 2 . 1 1 2 2 GLY H H 2 8.946 8.946 8.435 0.511 25212 28 1 2 . 1 1 3 3 GLY H H 3 8.333 8.333 8.215 0.118 25212 29 1 2 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.506 -0.126 25212 30 1 2 . 1 1 4 4 ARG H H 4 8.283 8.283 8.415 -0.132 25212 31 1 2 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.721 -0.171 25212 32 1 2 . 1 1 5 5 LEU H H 5 8.486 8.486 8.171 0.315 25212 33 1 2 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.133 0.561 25212 34 1 2 . 1 1 6 6 CYS H H 6 8.298 8.298 8.397 -0.099 25212 35 1 2 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.488 0.187 25212 36 1 2 . 1 1 7 7 TYR H H 7 8.184 8.184 8.789 -0.605 25212 37 1 2 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.224 0.471 25212 38 1 2 . 1 1 8 8 CYS H H 8 9.155 9.155 8.821 0.334 25212 39 1 2 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.797 -0.450 25212 40 1 2 . 1 1 9 9 ARG H H 9 9.231 9.231 8.996 0.235 25212 41 1 2 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.955 -0.181 25212 42 1 2 . 1 1 10 10 ARG H H 10 9.236 9.236 8.905 0.331 25212 43 1 2 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.392 -0.421 25212 44 1 2 . 1 1 11 11 ARG H H 11 8.125 8.125 8.434 -0.309 25212 45 1 2 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.671 -0.809 25212 46 1 2 . 1 1 12 12 PHE H H 12 8.478 8.478 7.900 0.578 25212 47 1 2 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.193 0.481 25212 48 1 2 . 1 1 13 13 CYS H H 13 8.807 8.807 7.473 1.333 25212 49 1 2 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.371 0.009 25212 50 1 2 . 1 1 14 14 VAL H H 14 8.945 8.945 8.853 0.092 25212 51 1 2 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.447 0.118 25212 52 1 2 . 1 1 15 15 CYS H H 15 8.858 8.858 8.154 0.704 25212 53 1 3 . 1 1 2 2 GLY H H 2 8.946 8.946 8.342 0.604 25212 54 1 3 . 1 1 3 3 GLY H H 3 8.333 8.333 8.253 0.080 25212 55 1 3 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.353 0.027 25212 56 1 3 . 1 1 4 4 ARG H H 4 8.283 8.283 8.421 -0.138 25212 57 1 3 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.698 -0.148 25212 58 1 3 . 1 1 5 5 LEU H H 5 8.486 8.486 8.034 0.452 25212 59 1 3 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.271 0.423 25212 60 1 3 . 1 1 6 6 CYS H H 6 8.298 8.298 8.539 -0.241 25212 61 1 3 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.542 0.133 25212 62 1 3 . 1 1 7 7 TYR H H 7 8.184 8.184 9.037 -0.853 25212 63 1 3 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.345 0.350 25212 64 1 3 . 1 1 8 8 CYS H H 8 9.155 9.155 8.780 0.375 25212 65 1 3 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.736 -0.389 25212 66 1 3 . 1 1 9 9 ARG H H 9 9.231 9.231 8.973 0.258 25212 67 1 3 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.989 -0.215 25212 68 1 3 . 1 1 10 10 ARG H H 10 9.236 9.236 8.888 0.348 25212 69 1 3 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.352 -0.381 25212 70 1 3 . 1 1 11 11 ARG H H 11 8.125 8.125 8.427 -0.302 25212 71 1 3 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.692 -0.830 25212 72 1 3 . 1 1 12 12 PHE H H 12 8.478 8.478 7.775 0.703 25212 73 1 3 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.464 0.210 25212 74 1 3 . 1 1 13 13 CYS H H 13 8.807 8.807 7.789 1.018 25212 75 1 3 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.413 -0.033 25212 76 1 3 . 1 1 14 14 VAL H H 14 8.945 8.945 9.106 -0.161 25212 77 1 3 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.581 -0.016 25212 78 1 3 . 1 1 15 15 CYS H H 15 8.858 8.858 8.298 0.560 25212 79 1 4 . 1 1 2 2 GLY H H 2 8.946 8.946 9.124 -0.178 25212 80 1 4 . 1 1 3 3 GLY H H 3 8.333 8.333 8.159 0.174 25212 81 1 4 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.572 -0.192 25212 82 1 4 . 1 1 4 4 ARG H H 4 8.283 8.283 8.293 -0.010 25212 83 1 4 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.674 -0.124 25212 84 1 4 . 1 1 5 5 LEU H H 5 8.486 8.486 8.000 0.486 25212 85 1 4 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.063 0.631 25212 86 1 4 . 1 1 6 6 CYS H H 6 8.298 8.298 8.298 -0.000 25212 87 1 4 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.279 0.396 25212 88 1 4 . 1 1 7 7 TYR H H 7 8.184 8.184 8.990 -0.806 25212 89 1 4 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.550 1.145 25212 90 1 4 . 1 1 8 8 CYS H H 8 9.155 9.155 8.869 0.286 25212 91 1 4 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.649 -0.302 25212 92 1 4 . 1 1 9 9 ARG H H 9 9.231 9.231 8.667 0.564 25212 93 1 4 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.064 -0.290 25212 94 1 4 . 1 1 10 10 ARG H H 10 9.236 9.236 8.748 0.488 25212 95 1 4 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.564 -0.593 25212 96 1 4 . 1 1 11 11 ARG H H 11 8.125 8.125 8.532 -0.407 25212 97 1 4 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.939 -1.077 25212 98 1 4 . 1 1 12 12 PHE H H 12 8.478 8.478 8.453 0.025 25212 99 1 4 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.133 0.541 25212 100 1 4 . 1 1 13 13 CYS H H 13 8.807 8.807 8.090 0.717 25212 101 1 4 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.365 0.015 25212 102 1 4 . 1 1 14 14 VAL H H 14 8.945 8.945 8.772 0.173 25212 103 1 4 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.494 0.071 25212 104 1 4 . 1 1 15 15 CYS H H 15 8.858 8.858 8.611 0.247 25212 105 1 5 . 1 1 2 2 GLY H H 2 8.946 8.946 8.708 0.238 25212 106 1 5 . 1 1 3 3 GLY H H 3 8.333 8.333 8.336 -0.003 25212 107 1 5 . 1 1 4 4 ARG HA H 4 4.380 4.380 5.034 -0.654 25212 108 1 5 . 1 1 4 4 ARG H H 4 8.283 8.283 8.869 -0.586 25212 109 1 5 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.463 0.087 25212 110 1 5 . 1 1 5 5 LEU H H 5 8.486 8.486 8.399 0.087 25212 111 1 5 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.218 0.476 25212 112 1 5 . 1 1 6 6 CYS H H 6 8.298 8.298 8.062 0.236 25212 113 1 5 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.577 0.098 25212 114 1 5 . 1 1 7 7 TYR H H 7 8.184 8.184 8.887 -0.703 25212 115 1 5 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.532 0.163 25212 116 1 5 . 1 1 8 8 CYS H H 8 9.155 9.155 8.768 0.387 25212 117 1 5 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.727 -0.380 25212 118 1 5 . 1 1 9 9 ARG H H 9 9.231 9.231 8.976 0.255 25212 119 1 5 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.036 -0.262 25212 120 1 5 . 1 1 10 10 ARG H H 10 9.236 9.236 8.836 0.400 25212 121 1 5 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.522 -0.551 25212 122 1 5 . 1 1 11 11 ARG H H 11 8.125 8.125 8.298 -0.173 25212 123 1 5 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.800 -0.938 25212 124 1 5 . 1 1 12 12 PHE H H 12 8.478 8.478 8.350 0.128 25212 125 1 5 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.695 -0.021 25212 126 1 5 . 1 1 13 13 CYS H H 13 8.807 8.807 8.370 0.437 25212 127 1 5 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.511 -0.131 25212 128 1 5 . 1 1 14 14 VAL H H 14 8.945 8.945 9.229 -0.284 25212 129 1 5 . 1 1 15 15 CYS HA H 15 5.565 5.565 4.512 1.053 25212 130 1 5 . 1 1 15 15 CYS H H 15 8.858 8.858 8.641 0.217 25212 131 1 6 . 1 1 2 2 GLY H H 2 8.946 8.946 8.591 0.355 25212 132 1 6 . 1 1 3 3 GLY H H 3 8.333 8.333 7.863 0.470 25212 133 1 6 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.545 -0.165 25212 134 1 6 . 1 1 4 4 ARG H H 4 8.283 8.283 8.331 -0.048 25212 135 1 6 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.596 -0.046 25212 136 1 6 . 1 1 5 5 LEU H H 5 8.486 8.486 8.284 0.202 25212 137 1 6 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.168 0.526 25212 138 1 6 . 1 1 6 6 CYS H H 6 8.298 8.298 8.289 0.009 25212 139 1 6 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.683 -0.008 25212 140 1 6 . 1 1 7 7 TYR H H 7 8.184 8.184 8.803 -0.619 25212 141 1 6 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.803 0.892 25212 142 1 6 . 1 1 8 8 CYS H H 8 9.155 9.155 9.078 0.077 25212 143 1 6 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.713 -0.366 25212 144 1 6 . 1 1 9 9 ARG H H 9 9.231 9.231 9.132 0.099 25212 145 1 6 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.903 -0.129 25212 146 1 6 . 1 1 10 10 ARG H H 10 9.236 9.236 8.918 0.318 25212 147 1 6 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.382 -0.411 25212 148 1 6 . 1 1 11 11 ARG H H 11 8.125 8.125 8.339 -0.214 25212 149 1 6 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.706 -0.844 25212 150 1 6 . 1 1 12 12 PHE H H 12 8.478 8.478 8.115 0.363 25212 151 1 6 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.587 0.087 25212 152 1 6 . 1 1 13 13 CYS H H 13 8.807 8.807 8.286 0.521 25212 153 1 6 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.449 -0.069 25212 154 1 6 . 1 1 14 14 VAL H H 14 8.945 8.945 9.176 -0.231 25212 155 1 6 . 1 1 15 15 CYS HA H 15 5.565 5.565 4.700 0.865 25212 156 1 6 . 1 1 15 15 CYS H H 15 8.858 8.858 8.551 0.307 25212 157 1 7 . 1 1 2 2 GLY H H 2 8.946 8.946 9.044 -0.098 25212 158 1 7 . 1 1 3 3 GLY H H 3 8.333 8.333 8.087 0.246 25212 159 1 7 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.695 -0.315 25212 160 1 7 . 1 1 4 4 ARG H H 4 8.283 8.283 8.367 -0.084 25212 161 1 7 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.696 -0.146 25212 162 1 7 . 1 1 5 5 LEU H H 5 8.486 8.486 8.100 0.386 25212 163 1 7 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.146 0.548 25212 164 1 7 . 1 1 6 6 CYS H H 6 8.298 8.298 8.325 -0.027 25212 165 1 7 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.477 0.198 25212 166 1 7 . 1 1 7 7 TYR H H 7 8.184 8.184 8.735 -0.551 25212 167 1 7 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.511 0.184 25212 168 1 7 . 1 1 8 8 CYS H H 8 9.155 9.155 8.812 0.343 25212 169 1 7 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.855 -0.508 25212 170 1 7 . 1 1 9 9 ARG H H 9 9.231 9.231 9.031 0.200 25212 171 1 7 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.942 -0.168 25212 172 1 7 . 1 1 10 10 ARG H H 10 9.236 9.236 8.871 0.365 25212 173 1 7 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.518 -0.547 25212 174 1 7 . 1 1 11 11 ARG H H 11 8.125 8.125 8.157 -0.032 25212 175 1 7 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.759 -0.897 25212 176 1 7 . 1 1 12 12 PHE H H 12 8.478 8.478 8.463 0.015 25212 177 1 7 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.662 0.012 25212 178 1 7 . 1 1 13 13 CYS H H 13 8.807 8.807 7.732 1.075 25212 179 1 7 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.330 0.050 25212 180 1 7 . 1 1 14 14 VAL H H 14 8.945 8.945 9.152 -0.207 25212 181 1 7 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.561 0.004 25212 182 1 7 . 1 1 15 15 CYS H H 15 8.858 8.858 8.434 0.424 25212 183 1 8 . 1 1 2 2 GLY H H 2 8.946 8.946 9.335 -0.389 25212 184 1 8 . 1 1 3 3 GLY H H 3 8.333 8.333 9.338 -1.005 25212 185 1 8 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.510 -0.130 25212 186 1 8 . 1 1 4 4 ARG H H 4 8.283 8.283 7.920 0.363 25212 187 1 8 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.824 -0.274 25212 188 1 8 . 1 1 5 5 LEU H H 5 8.486 8.486 8.242 0.244 25212 189 1 8 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.252 0.442 25212 190 1 8 . 1 1 6 6 CYS H H 6 8.298 8.298 8.148 0.150 25212 191 1 8 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.511 0.164 25212 192 1 8 . 1 1 7 7 TYR H H 7 8.184 8.184 8.976 -0.792 25212 193 1 8 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.190 0.505 25212 194 1 8 . 1 1 8 8 CYS H H 8 9.155 9.155 8.769 0.386 25212 195 1 8 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.799 -0.452 25212 196 1 8 . 1 1 9 9 ARG H H 9 9.231 9.231 8.879 0.352 25212 197 1 8 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.067 -0.293 25212 198 1 8 . 1 1 10 10 ARG H H 10 9.236 9.236 8.591 0.645 25212 199 1 8 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.747 -0.776 25212 200 1 8 . 1 1 11 11 ARG H H 11 8.125 8.125 8.552 -0.427 25212 201 1 8 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.764 -0.902 25212 202 1 8 . 1 1 12 12 PHE H H 12 8.478 8.478 8.369 0.109 25212 203 1 8 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.206 0.468 25212 204 1 8 . 1 1 13 13 CYS H H 13 8.807 8.807 7.425 1.382 25212 205 1 8 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.380 -0.000 25212 206 1 8 . 1 1 14 14 VAL H H 14 8.945 8.945 8.925 0.020 25212 207 1 8 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.345 0.220 25212 208 1 8 . 1 1 15 15 CYS H H 15 8.858 8.858 8.329 0.529 25212 209 1 9 . 1 1 2 2 GLY H H 2 8.946 8.946 8.211 0.735 25212 210 1 9 . 1 1 3 3 GLY H H 3 8.333 8.333 7.908 0.425 25212 211 1 9 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.435 -0.055 25212 212 1 9 . 1 1 4 4 ARG H H 4 8.283 8.283 8.504 -0.221 25212 213 1 9 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.629 -0.079 25212 214 1 9 . 1 1 5 5 LEU H H 5 8.486 8.486 8.709 -0.223 25212 215 1 9 . 1 1 6 6 CYS HA H 6 5.694 5.694 4.985 0.709 25212 216 1 9 . 1 1 6 6 CYS H H 6 8.298 8.298 8.822 -0.524 25212 217 1 9 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.394 0.281 25212 218 1 9 . 1 1 7 7 TYR H H 7 8.184 8.184 8.930 -0.746 25212 219 1 9 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.359 0.336 25212 220 1 9 . 1 1 8 8 CYS H H 8 9.155 9.155 8.705 0.450 25212 221 1 9 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.835 -0.488 25212 222 1 9 . 1 1 9 9 ARG H H 9 9.231 9.231 9.138 0.093 25212 223 1 9 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.926 -0.152 25212 224 1 9 . 1 1 10 10 ARG H H 10 9.236 9.236 8.930 0.306 25212 225 1 9 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.266 -0.295 25212 226 1 9 . 1 1 11 11 ARG H H 11 8.125 8.125 7.908 0.217 25212 227 1 9 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.781 -0.919 25212 228 1 9 . 1 1 12 12 PHE H H 12 8.478 8.478 7.822 0.656 25212 229 1 9 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.701 -0.027 25212 230 1 9 . 1 1 13 13 CYS H H 13 8.807 8.807 8.653 0.154 25212 231 1 9 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.479 -0.099 25212 232 1 9 . 1 1 14 14 VAL H H 14 8.945 8.945 9.025 -0.080 25212 233 1 9 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.586 -0.021 25212 234 1 9 . 1 1 15 15 CYS H H 15 8.858 8.858 8.461 0.397 25212 235 1 10 . 1 1 2 2 GLY H H 2 8.946 8.946 8.887 0.059 25212 236 1 10 . 1 1 3 3 GLY H H 3 8.333 8.333 8.287 0.046 25212 237 1 10 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.568 -0.188 25212 238 1 10 . 1 1 4 4 ARG H H 4 8.283 8.283 8.148 0.135 25212 239 1 10 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.467 0.083 25212 240 1 10 . 1 1 5 5 LEU H H 5 8.486 8.486 8.409 0.077 25212 241 1 10 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.064 0.630 25212 242 1 10 . 1 1 6 6 CYS H H 6 8.298 8.298 8.521 -0.223 25212 243 1 10 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.396 0.279 25212 244 1 10 . 1 1 7 7 TYR H H 7 8.184 8.184 8.809 -0.625 25212 245 1 10 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.412 0.283 25212 246 1 10 . 1 1 8 8 CYS H H 8 9.155 9.155 8.817 0.338 25212 247 1 10 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.771 -0.424 25212 248 1 10 . 1 1 9 9 ARG H H 9 9.231 9.231 9.131 0.100 25212 249 1 10 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.017 -0.243 25212 250 1 10 . 1 1 10 10 ARG H H 10 9.236 9.236 8.947 0.289 25212 251 1 10 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.342 -0.371 25212 252 1 10 . 1 1 11 11 ARG H H 11 8.125 8.125 8.299 -0.174 25212 253 1 10 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.840 -0.978 25212 254 1 10 . 1 1 12 12 PHE H H 12 8.478 8.478 8.137 0.341 25212 255 1 10 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.719 -0.045 25212 256 1 10 . 1 1 13 13 CYS H H 13 8.807 8.807 8.687 0.120 25212 257 1 10 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.395 -0.015 25212 258 1 10 . 1 1 14 14 VAL H H 14 8.945 8.945 9.098 -0.153 25212 259 1 10 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.698 -0.133 25212 260 1 10 . 1 1 15 15 CYS H H 15 8.858 8.858 8.294 0.564 25212 261 1 11 . 1 1 2 2 GLY H H 2 8.946 8.946 8.037 0.909 25212 262 1 11 . 1 1 3 3 GLY H H 3 8.333 8.333 8.289 0.044 25212 263 1 11 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.307 0.073 25212 264 1 11 . 1 1 4 4 ARG H H 4 8.283 8.283 7.975 0.308 25212 265 1 11 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.600 -0.050 25212 266 1 11 . 1 1 5 5 LEU H H 5 8.486 8.486 8.012 0.474 25212 267 1 11 . 1 1 6 6 CYS HA H 6 5.694 5.694 4.891 0.803 25212 268 1 11 . 1 1 6 6 CYS H H 6 8.298 8.298 8.500 -0.202 25212 269 1 11 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.673 0.002 25212 270 1 11 . 1 1 7 7 TYR H H 7 8.184 8.184 9.090 -0.906 25212 271 1 11 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.396 0.299 25212 272 1 11 . 1 1 8 8 CYS H H 8 9.155 9.155 8.895 0.260 25212 273 1 11 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.750 -0.403 25212 274 1 11 . 1 1 9 9 ARG H H 9 9.231 9.231 8.949 0.282 25212 275 1 11 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.963 -0.189 25212 276 1 11 . 1 1 10 10 ARG H H 10 9.236 9.236 8.796 0.440 25212 277 1 11 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.455 -0.484 25212 278 1 11 . 1 1 11 11 ARG H H 11 8.125 8.125 8.374 -0.249 25212 279 1 11 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.725 -0.863 25212 280 1 11 . 1 1 12 12 PHE H H 12 8.478 8.478 7.958 0.520 25212 281 1 11 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.583 0.091 25212 282 1 11 . 1 1 13 13 CYS H H 13 8.807 8.807 7.976 0.831 25212 283 1 11 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.422 -0.042 25212 284 1 11 . 1 1 14 14 VAL H H 14 8.945 8.945 9.174 -0.229 25212 285 1 11 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.334 0.231 25212 286 1 11 . 1 1 15 15 CYS H H 15 8.858 8.858 8.421 0.437 25212 287 1 12 . 1 1 2 2 GLY H H 2 8.946 8.946 8.394 0.552 25212 288 1 12 . 1 1 3 3 GLY H H 3 8.333 8.333 8.055 0.278 25212 289 1 12 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.864 -0.484 25212 290 1 12 . 1 1 4 4 ARG H H 4 8.283 8.283 8.411 -0.128 25212 291 1 12 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.685 -0.135 25212 292 1 12 . 1 1 5 5 LEU H H 5 8.486 8.486 8.142 0.344 25212 293 1 12 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.107 0.587 25212 294 1 12 . 1 1 6 6 CYS H H 6 8.298 8.298 8.340 -0.042 25212 295 1 12 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.436 0.239 25212 296 1 12 . 1 1 7 7 TYR H H 7 8.184 8.184 8.941 -0.757 25212 297 1 12 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.899 0.796 25212 298 1 12 . 1 1 8 8 CYS H H 8 9.155 9.155 9.237 -0.082 25212 299 1 12 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.636 -0.289 25212 300 1 12 . 1 1 9 9 ARG H H 9 9.231 9.231 8.843 0.388 25212 301 1 12 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.768 0.006 25212 302 1 12 . 1 1 10 10 ARG H H 10 9.236 9.236 8.870 0.366 25212 303 1 12 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.270 -0.299 25212 304 1 12 . 1 1 11 11 ARG H H 11 8.125 8.125 7.272 0.853 25212 305 1 12 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.833 -0.971 25212 306 1 12 . 1 1 12 12 PHE H H 12 8.478 8.478 7.324 1.154 25212 307 1 12 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.643 0.031 25212 308 1 12 . 1 1 13 13 CYS H H 13 8.807 8.807 8.682 0.125 25212 309 1 12 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.504 -0.124 25212 310 1 12 . 1 1 14 14 VAL H H 14 8.945 8.945 9.219 -0.274 25212 311 1 12 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.243 0.322 25212 312 1 12 . 1 1 15 15 CYS H H 15 8.858 8.858 8.365 0.493 25212 313 1 13 . 1 1 2 2 GLY H H 2 8.946 8.946 8.944 0.002 25212 314 1 13 . 1 1 3 3 GLY H H 3 8.333 8.333 8.127 0.206 25212 315 1 13 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.644 -0.264 25212 316 1 13 . 1 1 4 4 ARG H H 4 8.283 8.283 8.582 -0.299 25212 317 1 13 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.417 0.133 25212 318 1 13 . 1 1 5 5 LEU H H 5 8.486 8.486 7.980 0.506 25212 319 1 13 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.079 0.615 25212 320 1 13 . 1 1 6 6 CYS H H 6 8.298 8.298 8.126 0.172 25212 321 1 13 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.595 0.080 25212 322 1 13 . 1 1 7 7 TYR H H 7 8.184 8.184 8.791 -0.607 25212 323 1 13 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.133 0.562 25212 324 1 13 . 1 1 8 8 CYS H H 8 9.155 9.155 8.946 0.209 25212 325 1 13 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.710 -0.363 25212 326 1 13 . 1 1 9 9 ARG H H 9 9.231 9.231 8.962 0.269 25212 327 1 13 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.873 -0.099 25212 328 1 13 . 1 1 10 10 ARG H H 10 9.236 9.236 8.140 1.096 25212 329 1 13 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.154 -0.183 25212 330 1 13 . 1 1 11 11 ARG H H 11 8.125 8.125 8.341 -0.216 25212 331 1 13 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.596 -0.734 25212 332 1 13 . 1 1 12 12 PHE H H 12 8.478 8.478 7.772 0.706 25212 333 1 13 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.425 0.249 25212 334 1 13 . 1 1 13 13 CYS H H 13 8.807 8.807 8.324 0.483 25212 335 1 13 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.404 -0.024 25212 336 1 13 . 1 1 14 14 VAL H H 14 8.945 8.945 9.290 -0.345 25212 337 1 13 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.447 0.118 25212 338 1 13 . 1 1 15 15 CYS H H 15 8.858 8.858 8.298 0.560 25212 339 1 14 . 1 1 2 2 GLY H H 2 8.946 8.946 8.546 0.400 25212 340 1 14 . 1 1 3 3 GLY H H 3 8.333 8.333 8.287 0.046 25212 341 1 14 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.738 -0.358 25212 342 1 14 . 1 1 4 4 ARG H H 4 8.283 8.283 8.842 -0.559 25212 343 1 14 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.688 -0.138 25212 344 1 14 . 1 1 5 5 LEU H H 5 8.486 8.486 8.218 0.268 25212 345 1 14 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.248 0.446 25212 346 1 14 . 1 1 6 6 CYS H H 6 8.298 8.298 8.185 0.113 25212 347 1 14 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.487 0.188 25212 348 1 14 . 1 1 7 7 TYR H H 7 8.184 8.184 8.832 -0.648 25212 349 1 14 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.961 0.734 25212 350 1 14 . 1 1 8 8 CYS H H 8 9.155 9.155 8.741 0.414 25212 351 1 14 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.546 -0.199 25212 352 1 14 . 1 1 9 9 ARG H H 9 9.231 9.231 8.599 0.632 25212 353 1 14 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.862 -0.088 25212 354 1 14 . 1 1 10 10 ARG H H 10 9.236 9.236 8.729 0.507 25212 355 1 14 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.472 -0.501 25212 356 1 14 . 1 1 11 11 ARG H H 11 8.125 8.125 8.283 -0.158 25212 357 1 14 . 1 1 12 12 PHE HA H 12 3.862 3.862 5.031 -1.169 25212 358 1 14 . 1 1 12 12 PHE H H 12 8.478 8.478 7.829 0.649 25212 359 1 14 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.503 0.171 25212 360 1 14 . 1 1 13 13 CYS H H 13 8.807 8.807 8.638 0.169 25212 361 1 14 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.554 -0.174 25212 362 1 14 . 1 1 14 14 VAL H H 14 8.945 8.945 9.213 -0.268 25212 363 1 14 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.219 0.346 25212 364 1 14 . 1 1 15 15 CYS H H 15 8.858 8.858 8.456 0.402 25212 365 1 15 . 1 1 2 2 GLY H H 2 8.946 8.946 8.514 0.432 25212 366 1 15 . 1 1 3 3 GLY H H 3 8.333 8.333 7.655 0.678 25212 367 1 15 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.517 -0.137 25212 368 1 15 . 1 1 4 4 ARG H H 4 8.283 8.283 8.591 -0.308 25212 369 1 15 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.373 0.177 25212 370 1 15 . 1 1 5 5 LEU H H 5 8.486 8.486 7.458 1.028 25212 371 1 15 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.177 0.517 25212 372 1 15 . 1 1 6 6 CYS H H 6 8.298 8.298 8.150 0.148 25212 373 1 15 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.600 0.075 25212 374 1 15 . 1 1 7 7 TYR H H 7 8.184 8.184 8.715 -0.531 25212 375 1 15 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.312 0.383 25212 376 1 15 . 1 1 8 8 CYS H H 8 9.155 9.155 8.897 0.258 25212 377 1 15 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.859 -0.512 25212 378 1 15 . 1 1 9 9 ARG H H 9 9.231 9.231 9.097 0.134 25212 379 1 15 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.009 -0.235 25212 380 1 15 . 1 1 10 10 ARG H H 10 9.236 9.236 8.636 0.600 25212 381 1 15 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.480 -0.509 25212 382 1 15 . 1 1 11 11 ARG H H 11 8.125 8.125 8.339 -0.214 25212 383 1 15 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.737 -0.875 25212 384 1 15 . 1 1 12 12 PHE H H 12 8.478 8.478 8.415 0.063 25212 385 1 15 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.387 0.287 25212 386 1 15 . 1 1 13 13 CYS H H 13 8.807 8.807 7.017 1.790 25212 387 1 15 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.467 -0.087 25212 388 1 15 . 1 1 14 14 VAL H H 14 8.945 8.945 9.047 -0.102 25212 389 1 15 . 1 1 15 15 CYS HA H 15 5.565 5.565 4.539 1.026 25212 390 1 15 . 1 1 15 15 CYS H H 15 8.858 8.858 8.569 0.289 25212 391 1 16 . 1 1 2 2 GLY H H 2 8.946 8.946 8.534 0.412 25212 392 1 16 . 1 1 3 3 GLY H H 3 8.333 8.333 8.271 0.062 25212 393 1 16 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.503 -0.123 25212 394 1 16 . 1 1 4 4 ARG H H 4 8.283 8.283 8.271 0.012 25212 395 1 16 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.672 -0.122 25212 396 1 16 . 1 1 5 5 LEU H H 5 8.486 8.486 8.163 0.323 25212 397 1 16 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.054 0.640 25212 398 1 16 . 1 1 6 6 CYS H H 6 8.298 8.298 8.625 -0.327 25212 399 1 16 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.458 0.217 25212 400 1 16 . 1 1 7 7 TYR H H 7 8.184 8.184 8.750 -0.566 25212 401 1 16 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.117 0.578 25212 402 1 16 . 1 1 8 8 CYS H H 8 9.155 9.155 8.999 0.156 25212 403 1 16 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.808 -0.461 25212 404 1 16 . 1 1 9 9 ARG H H 9 9.231 9.231 8.973 0.258 25212 405 1 16 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.983 -0.209 25212 406 1 16 . 1 1 10 10 ARG H H 10 9.236 9.236 8.832 0.404 25212 407 1 16 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.775 -0.804 25212 408 1 16 . 1 1 11 11 ARG H H 11 8.125 8.125 8.542 -0.417 25212 409 1 16 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.721 -0.859 25212 410 1 16 . 1 1 12 12 PHE H H 12 8.478 8.478 8.292 0.186 25212 411 1 16 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.385 0.289 25212 412 1 16 . 1 1 13 13 CYS H H 13 8.807 8.807 7.176 1.631 25212 413 1 16 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.421 -0.041 25212 414 1 16 . 1 1 14 14 VAL H H 14 8.945 8.945 8.764 0.181 25212 415 1 16 . 1 1 15 15 CYS HA H 15 5.565 5.565 4.831 0.734 25212 416 1 16 . 1 1 15 15 CYS H H 15 8.858 8.858 8.522 0.336 25212 417 1 17 . 1 1 2 2 GLY H H 2 8.946 8.946 8.439 0.507 25212 418 1 17 . 1 1 3 3 GLY H H 3 8.333 8.333 8.445 -0.112 25212 419 1 17 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.495 -0.115 25212 420 1 17 . 1 1 4 4 ARG H H 4 8.283 8.283 8.078 0.205 25212 421 1 17 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.527 0.023 25212 422 1 17 . 1 1 5 5 LEU H H 5 8.486 8.486 8.114 0.372 25212 423 1 17 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.213 0.481 25212 424 1 17 . 1 1 6 6 CYS H H 6 8.298 8.298 8.300 -0.002 25212 425 1 17 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.450 0.225 25212 426 1 17 . 1 1 7 7 TYR H H 7 8.184 8.184 8.772 -0.588 25212 427 1 17 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.471 0.224 25212 428 1 17 . 1 1 8 8 CYS H H 8 9.155 9.155 8.945 0.210 25212 429 1 17 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.778 -0.431 25212 430 1 17 . 1 1 9 9 ARG H H 9 9.231 9.231 9.061 0.170 25212 431 1 17 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.821 -0.047 25212 432 1 17 . 1 1 10 10 ARG H H 10 9.236 9.236 8.861 0.375 25212 433 1 17 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.265 -0.294 25212 434 1 17 . 1 1 11 11 ARG H H 11 8.125 8.125 7.562 0.563 25212 435 1 17 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.710 -0.848 25212 436 1 17 . 1 1 12 12 PHE H H 12 8.478 8.478 7.695 0.783 25212 437 1 17 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.711 -0.037 25212 438 1 17 . 1 1 13 13 CYS H H 13 8.807 8.807 8.733 0.074 25212 439 1 17 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.444 -0.064 25212 440 1 17 . 1 1 14 14 VAL H H 14 8.945 8.945 9.056 -0.111 25212 441 1 17 . 1 1 15 15 CYS HA H 15 5.565 5.565 4.976 0.589 25212 442 1 17 . 1 1 15 15 CYS H H 15 8.858 8.858 8.597 0.261 25212 443 1 18 . 1 1 2 2 GLY H H 2 8.946 8.946 8.517 0.429 25212 444 1 18 . 1 1 3 3 GLY H H 3 8.333 8.333 8.414 -0.081 25212 445 1 18 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.273 0.107 25212 446 1 18 . 1 1 4 4 ARG H H 4 8.283 8.283 8.147 0.136 25212 447 1 18 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.497 0.053 25212 448 1 18 . 1 1 5 5 LEU H H 5 8.486 8.486 7.965 0.521 25212 449 1 18 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.154 0.540 25212 450 1 18 . 1 1 6 6 CYS H H 6 8.298 8.298 8.325 -0.027 25212 451 1 18 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.552 0.123 25212 452 1 18 . 1 1 7 7 TYR H H 7 8.184 8.184 9.171 -0.987 25212 453 1 18 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.904 0.791 25212 454 1 18 . 1 1 8 8 CYS H H 8 9.155 9.155 9.024 0.131 25212 455 1 18 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.644 -0.297 25212 456 1 18 . 1 1 9 9 ARG H H 9 9.231 9.231 9.035 0.196 25212 457 1 18 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.888 -0.114 25212 458 1 18 . 1 1 10 10 ARG H H 10 9.236 9.236 8.413 0.823 25212 459 1 18 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.359 -0.388 25212 460 1 18 . 1 1 11 11 ARG H H 11 8.125 8.125 8.435 -0.310 25212 461 1 18 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.617 -0.755 25212 462 1 18 . 1 1 12 12 PHE H H 12 8.478 8.478 7.886 0.592 25212 463 1 18 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.398 0.276 25212 464 1 18 . 1 1 13 13 CYS H H 13 8.807 8.807 8.193 0.614 25212 465 1 18 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.494 -0.114 25212 466 1 18 . 1 1 14 14 VAL H H 14 8.945 8.945 9.159 -0.214 25212 467 1 18 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.295 0.270 25212 468 1 18 . 1 1 15 15 CYS H H 15 8.858 8.858 8.303 0.555 25212 469 1 19 . 1 1 2 2 GLY H H 2 8.946 8.946 8.311 0.635 25212 470 1 19 . 1 1 3 3 GLY H H 3 8.333 8.333 7.986 0.347 25212 471 1 19 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.020 0.360 25212 472 1 19 . 1 1 4 4 ARG H H 4 8.283 8.283 8.377 -0.094 25212 473 1 19 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.538 0.012 25212 474 1 19 . 1 1 5 5 LEU H H 5 8.486 8.486 7.879 0.607 25212 475 1 19 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.154 0.540 25212 476 1 19 . 1 1 6 6 CYS H H 6 8.298 8.298 8.802 -0.504 25212 477 1 19 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.419 0.256 25212 478 1 19 . 1 1 7 7 TYR H H 7 8.184 8.184 8.942 -0.758 25212 479 1 19 . 1 1 8 8 CYS HA H 8 5.695 5.695 4.780 0.915 25212 480 1 19 . 1 1 8 8 CYS H H 8 9.155 9.155 8.861 0.294 25212 481 1 19 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.707 -0.360 25212 482 1 19 . 1 1 9 9 ARG H H 9 9.231 9.231 8.541 0.690 25212 483 1 19 . 1 1 10 10 ARG HA H 10 3.774 3.774 4.064 -0.290 25212 484 1 19 . 1 1 10 10 ARG H H 10 9.236 9.236 8.711 0.525 25212 485 1 19 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.518 -0.547 25212 486 1 19 . 1 1 11 11 ARG H H 11 8.125 8.125 8.508 -0.383 25212 487 1 19 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.892 -1.030 25212 488 1 19 . 1 1 12 12 PHE H H 12 8.478 8.478 8.412 0.066 25212 489 1 19 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.028 0.646 25212 490 1 19 . 1 1 13 13 CYS H H 13 8.807 8.807 8.478 0.329 25212 491 1 19 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.426 -0.046 25212 492 1 19 . 1 1 14 14 VAL H H 14 8.945 8.945 8.951 -0.006 25212 493 1 19 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.603 -0.038 25212 494 1 19 . 1 1 15 15 CYS H H 15 8.858 8.858 8.172 0.686 25212 495 1 20 . 1 1 2 2 GLY H H 2 8.946 8.946 8.343 0.603 25212 496 1 20 . 1 1 3 3 GLY H H 3 8.333 8.333 8.011 0.322 25212 497 1 20 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.664 -0.284 25212 498 1 20 . 1 1 4 4 ARG H H 4 8.283 8.283 7.777 0.506 25212 499 1 20 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.696 -0.146 25212 500 1 20 . 1 1 5 5 LEU H H 5 8.486 8.486 8.246 0.240 25212 501 1 20 . 1 1 6 6 CYS HA H 6 5.694 5.694 4.942 0.752 25212 502 1 20 . 1 1 6 6 CYS H H 6 8.298 8.298 8.464 -0.166 25212 503 1 20 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.439 0.236 25212 504 1 20 . 1 1 7 7 TYR H H 7 8.184 8.184 8.754 -0.570 25212 505 1 20 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.234 0.461 25212 506 1 20 . 1 1 8 8 CYS H H 8 9.155 9.155 8.829 0.326 25212 507 1 20 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.665 -0.318 25212 508 1 20 . 1 1 9 9 ARG H H 9 9.231 9.231 9.013 0.218 25212 509 1 20 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.925 -0.151 25212 510 1 20 . 1 1 10 10 ARG H H 10 9.236 9.236 8.622 0.614 25212 511 1 20 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.341 -0.370 25212 512 1 20 . 1 1 11 11 ARG H H 11 8.125 8.125 8.419 -0.294 25212 513 1 20 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.676 -0.814 25212 514 1 20 . 1 1 12 12 PHE H H 12 8.478 8.478 7.829 0.649 25212 515 1 20 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.587 0.087 25212 516 1 20 . 1 1 13 13 CYS H H 13 8.807 8.807 8.029 0.778 25212 517 1 20 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.396 -0.016 25212 518 1 20 . 1 1 14 14 VAL H H 14 8.945 8.945 9.143 -0.198 25212 519 1 20 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.459 0.106 25212 520 1 20 . 1 1 15 15 CYS H H 15 8.858 8.858 8.171 0.687 25212 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 25212 2 1 1 "Average Difference" HA 16 0.433 0.036 0.446 25212 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25212 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25212 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25212 6 1 1 "Average Difference" HN 14 0.424 -0.141 0.415 25212 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25212 8 1 2 "Average Difference" HA 16 0.354 0.043 0.362 25212 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25212 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25212 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25212 12 1 2 "Average Difference" HN 14 0.518 -0.243 0.474 25212 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25212 14 1 3 "Average Difference" HA 16 0.321 0.080 0.321 25212 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25212 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25212 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25212 18 1 3 "Average Difference" HN 14 0.512 -0.193 0.492 25212 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25212 20 1 4 "Average Difference" HA 16 0.552 0.075 0.565 25212 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25212 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25212 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25212 24 1 4 "Average Difference" HN 14 0.410 -0.126 0.405 25212 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25212 26 1 5 "Average Difference" HA 16 0.458 0.020 0.473 25212 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25212 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25212 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25212 30 1 5 "Average Difference" HN 14 0.348 -0.045 0.358 25212 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25212 32 1 6 "Average Difference" HA 16 0.433 -0.046 0.445 25212 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25212 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25212 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25212 36 1 6 "Average Difference" HN 14 0.326 -0.115 0.316 25212 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25212 38 1 7 "Average Difference" HA 16 0.372 0.157 0.349 25212 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25212 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25212 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25212 42 1 7 "Average Difference" HN 14 0.397 -0.147 0.382 25212 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25212 44 1 8 "Average Difference" HA 16 0.447 0.154 0.434 25212 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25212 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25212 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25212 48 1 8 "Average Difference" HN 14 0.602 -0.112 0.614 25212 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25212 50 1 9 "Average Difference" HA 16 0.362 0.045 0.371 25212 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25212 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25212 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25212 54 1 9 "Average Difference" HN 14 0.433 -0.117 0.432 25212 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25212 56 1 10 "Average Difference" HA 16 0.370 0.117 0.363 25212 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25212 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25212 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25212 60 1 10 "Average Difference" HN 14 0.290 -0.064 0.294 25212 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25212 62 1 11 "Average Difference" HA 16 0.364 0.015 0.376 25212 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25212 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25212 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25212 66 1 11 "Average Difference" HN 14 0.508 -0.208 0.481 25212 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25212 68 1 12 "Average Difference" HA 16 0.405 -0.005 0.418 25212 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25212 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25212 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25212 72 1 12 "Average Difference" HN 14 0.519 -0.234 0.481 25212 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25212 74 1 13 "Average Difference" HA 16 0.386 0.107 0.383 25212 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25212 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25212 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25212 78 1 13 "Average Difference" HN 14 0.486 -0.196 0.462 25212 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25212 80 1 14 "Average Difference" HA 16 0.433 0.035 0.446 25212 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25212 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25212 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25212 84 1 14 "Average Difference" HN 14 0.424 -0.141 0.415 25212 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25212 86 1 15 "Average Difference" HA 16 0.431 -0.008 0.445 25212 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25212 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25212 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25212 90 1 15 "Average Difference" HN 14 0.649 -0.305 0.594 25212 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25212 92 1 16 "Average Difference" HA 16 0.451 0.006 0.466 25212 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25212 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25212 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25212 96 1 16 "Average Difference" HN 14 0.533 -0.189 0.517 25212 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25212 98 1 17 "Average Difference" HA 16 0.352 -0.050 0.360 25212 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25212 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25212 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25212 102 1 17 "Average Difference" HN 14 0.380 -0.193 0.340 25212 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25212 104 1 18 "Average Difference" HA 16 0.370 -0.089 0.371 25212 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25212 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25212 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25212 108 1 18 "Average Difference" HN 14 0.490 -0.170 0.477 25212 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25212 110 1 19 "Average Difference" HA 16 0.458 -0.014 0.473 25212 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25212 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25212 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25212 114 1 19 "Average Difference" HN 14 0.485 -0.174 0.470 25212 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25212 116 1 20 "Average Difference" HA 16 0.344 0.017 0.355 25212 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25212 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25212 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25212 120 1 20 "Average Difference" HN 14 0.485 -0.265 0.421 25212 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 25212 _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 GLY H H 2 8.946 8.946 8.590 0.356 25212 2 1 . 1 1 3 3 GLY H H 3 8.333 8.333 8.214 0.119 25212 3 1 . 1 1 4 4 ARG HA H 4 4.380 4.380 4.549 -0.169 25212 4 1 . 1 1 4 4 ARG H H 4 8.283 8.283 8.358 -0.075 25212 5 1 . 1 1 5 5 LEU HA H 5 4.550 4.550 4.607 -0.057 25212 6 1 . 1 1 5 5 LEU H H 5 8.486 8.486 8.137 0.349 25212 7 1 . 1 1 6 6 CYS HA H 6 5.694 5.694 5.128 0.566 25212 8 1 . 1 1 6 6 CYS H H 6 8.298 8.298 8.370 -0.072 25212 9 1 . 1 1 7 7 TYR HA H 7 4.675 4.675 4.497 0.178 25212 10 1 . 1 1 7 7 TYR H H 7 8.184 8.184 8.877 -0.693 25212 11 1 . 1 1 8 8 CYS HA H 8 5.695 5.695 5.155 0.540 25212 12 1 . 1 1 8 8 CYS H H 8 9.155 9.155 8.877 0.278 25212 13 1 . 1 1 9 9 ARG HA H 9 4.347 4.347 4.727 -0.380 25212 14 1 . 1 1 9 9 ARG H H 9 9.231 9.231 8.930 0.301 25212 15 1 . 1 1 10 10 ARG HA H 10 3.774 3.774 3.946 -0.172 25212 16 1 . 1 1 10 10 ARG H H 10 9.236 9.236 8.749 0.487 25212 17 1 . 1 1 11 11 ARG HA H 11 3.971 3.971 4.432 -0.461 25212 18 1 . 1 1 11 11 ARG H H 11 8.125 8.125 8.265 -0.140 25212 19 1 . 1 1 12 12 PHE HA H 12 3.862 3.862 4.776 -0.914 25212 20 1 . 1 1 12 12 PHE H H 12 8.478 8.478 8.031 0.447 25212 21 1 . 1 1 13 13 CYS HA H 13 5.674 5.674 5.476 0.198 25212 22 1 . 1 1 13 13 CYS H H 13 8.807 8.807 8.119 0.688 25212 23 1 . 1 1 14 14 VAL HA H 14 4.380 4.380 4.439 -0.059 25212 24 1 . 1 1 14 14 VAL H H 14 8.945 8.945 9.078 -0.133 25212 25 1 . 1 1 15 15 CYS HA H 15 5.565 5.565 5.254 0.311 25212 26 1 . 1 1 15 15 CYS H H 15 8.858 8.858 8.405 0.453 25212 stop_ save_