data_19557 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19557 _Entry.PDB_ID 2MFP 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 19557 _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 8.312 8.312 8.167 0.145 19557 2 1 1 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.606 0.099 19557 3 1 1 . 1 1 3 3 CYS H H 3 7.987 7.987 8.596 -0.609 19557 4 1 1 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.827 -0.072 19557 5 1 1 . 1 1 4 4 ASP H H 4 9.311 9.311 8.334 0.977 19557 6 1 1 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.360 0.095 19557 7 1 1 . 1 1 5 5 ASP H H 5 8.710 8.710 8.555 0.155 19557 8 1 1 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.276 0.333 19557 9 1 1 . 1 1 6 6 LYS H H 6 8.652 8.652 8.489 0.163 19557 10 1 1 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.446 0.037 19557 11 1 1 . 1 1 7 7 CYS H H 7 7.698 7.698 7.767 -0.069 19557 12 1 1 . 1 1 8 8 GLY H H 8 8.756 8.756 7.585 1.171 19557 13 1 1 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.592 -0.176 19557 14 1 1 . 1 1 9 9 CYS H H 9 8.516 8.516 7.247 1.269 19557 15 1 1 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.384 -0.240 19557 16 1 1 . 1 1 10 10 ALA H H 10 8.503 8.503 8.099 0.404 19557 17 1 1 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.366 -0.134 19557 18 1 1 . 1 1 11 11 VAL H H 11 7.998 7.998 8.369 -0.371 19557 19 1 1 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.472 0.274 19557 20 1 1 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.696 -0.138 19557 21 1 1 . 1 1 13 13 CYS H H 13 8.505 8.505 8.614 -0.109 19557 22 1 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.579 -0.038 19557 23 1 1 . 1 1 15 15 GLY H H 15 8.816 8.816 8.124 0.692 19557 24 1 1 . 1 1 16 16 GLY H H 16 8.392 8.392 7.970 0.422 19557 25 1 1 . 1 1 17 17 THR HA H 17 4.285 4.285 4.044 0.241 19557 26 1 1 . 1 1 18 18 GLY H H 18 8.328 8.328 7.817 0.511 19557 27 1 1 . 1 1 19 19 CYS HA H 19 4.319 4.319 5.054 -0.735 19557 28 1 1 . 1 1 19 19 CYS H H 19 7.270 7.270 7.789 -0.519 19557 29 1 1 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.424 -0.034 19557 30 1 1 . 1 1 20 20 ARG H H 20 8.235 8.235 7.863 0.372 19557 31 1 1 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.984 -0.558 19557 32 1 1 . 1 1 21 21 CYS H H 21 8.472 8.472 8.254 0.218 19557 33 1 1 . 1 1 22 22 THR HA H 22 4.280 4.280 4.541 -0.261 19557 34 1 1 . 1 1 22 22 THR H H 22 7.885 7.885 7.808 0.077 19557 35 1 1 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.333 0.000 19557 36 1 1 . 1 1 24 24 ALA H H 24 8.028 8.028 8.050 -0.022 19557 37 1 1 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.432 -0.076 19557 38 1 1 . 1 1 25 25 ARG H H 25 7.983 7.983 8.782 -0.799 19557 39 1 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.063 0.224 19557 40 1 1 . 1 1 30 30 ALA H H 30 8.295 8.295 8.597 -0.302 19557 41 1 2 . 1 1 2 2 GLY H H 2 8.312 8.312 7.935 0.377 19557 42 1 2 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.773 -0.068 19557 43 1 2 . 1 1 3 3 CYS H H 3 7.987 7.987 8.332 -0.345 19557 44 1 2 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.781 -0.026 19557 45 1 2 . 1 1 4 4 ASP H H 4 9.311 9.311 8.410 0.901 19557 46 1 2 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.364 0.091 19557 47 1 2 . 1 1 5 5 ASP H H 5 8.710 8.710 8.672 0.038 19557 48 1 2 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.268 0.341 19557 49 1 2 . 1 1 6 6 LYS H H 6 8.652 8.652 8.176 0.476 19557 50 1 2 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.499 -0.016 19557 51 1 2 . 1 1 7 7 CYS H H 7 7.698 7.698 7.885 -0.187 19557 52 1 2 . 1 1 8 8 GLY H H 8 8.756 8.756 7.973 0.783 19557 53 1 2 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.498 -0.082 19557 54 1 2 . 1 1 9 9 CYS H H 9 8.516 8.516 7.509 1.007 19557 55 1 2 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.247 -0.103 19557 56 1 2 . 1 1 10 10 ALA H H 10 8.503 8.503 7.955 0.548 19557 57 1 2 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.392 -0.160 19557 58 1 2 . 1 1 11 11 VAL H H 11 7.998 7.998 8.330 -0.332 19557 59 1 2 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.503 0.243 19557 60 1 2 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.672 -0.114 19557 61 1 2 . 1 1 13 13 CYS H H 13 8.505 8.505 8.406 0.099 19557 62 1 2 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.560 -0.019 19557 63 1 2 . 1 1 15 15 GLY H H 15 8.816 8.816 7.685 1.131 19557 64 1 2 . 1 1 16 16 GLY H H 16 8.392 8.392 7.869 0.523 19557 65 1 2 . 1 1 17 17 THR HA H 17 4.285 4.285 4.079 0.206 19557 66 1 2 . 1 1 18 18 GLY H H 18 8.328 8.328 7.909 0.419 19557 67 1 2 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.810 -0.491 19557 68 1 2 . 1 1 19 19 CYS H H 19 7.270 7.270 7.796 -0.526 19557 69 1 2 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.388 0.002 19557 70 1 2 . 1 1 20 20 ARG H H 20 8.235 8.235 8.232 0.003 19557 71 1 2 . 1 1 21 21 CYS HA H 21 4.426 4.426 5.210 -0.784 19557 72 1 2 . 1 1 21 21 CYS H H 21 8.472 8.472 8.621 -0.149 19557 73 1 2 . 1 1 22 22 THR HA H 22 4.280 4.280 4.317 -0.037 19557 74 1 2 . 1 1 22 22 THR H H 22 7.885 7.885 7.896 -0.011 19557 75 1 2 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.536 -0.203 19557 76 1 2 . 1 1 24 24 ALA H H 24 8.028 8.028 8.045 -0.017 19557 77 1 2 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.313 0.043 19557 78 1 2 . 1 1 25 25 ARG H H 25 7.983 7.983 8.687 -0.704 19557 79 1 2 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.503 -0.216 19557 80 1 2 . 1 1 30 30 ALA H H 30 8.295 8.295 8.675 -0.380 19557 81 1 3 . 1 1 2 2 GLY H H 2 8.312 8.312 8.345 -0.033 19557 82 1 3 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.386 0.319 19557 83 1 3 . 1 1 3 3 CYS H H 3 7.987 7.987 8.308 -0.321 19557 84 1 3 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.716 0.039 19557 85 1 3 . 1 1 4 4 ASP H H 4 9.311 9.311 8.184 1.127 19557 86 1 3 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.475 -0.020 19557 87 1 3 . 1 1 5 5 ASP H H 5 8.710 8.710 8.650 0.060 19557 88 1 3 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.284 0.325 19557 89 1 3 . 1 1 6 6 LYS H H 6 8.652 8.652 7.952 0.700 19557 90 1 3 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.499 -0.016 19557 91 1 3 . 1 1 7 7 CYS H H 7 7.698 7.698 7.683 0.015 19557 92 1 3 . 1 1 8 8 GLY H H 8 8.756 8.756 7.537 1.219 19557 93 1 3 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.567 -0.151 19557 94 1 3 . 1 1 9 9 CYS H H 9 8.516 8.516 7.472 1.044 19557 95 1 3 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.260 -0.116 19557 96 1 3 . 1 1 10 10 ALA H H 10 8.503 8.503 8.275 0.228 19557 97 1 3 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.356 -0.124 19557 98 1 3 . 1 1 11 11 VAL H H 11 7.998 7.998 8.188 -0.190 19557 99 1 3 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.437 0.309 19557 100 1 3 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.688 -0.130 19557 101 1 3 . 1 1 13 13 CYS H H 13 8.505 8.505 8.640 -0.135 19557 102 1 3 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.035 19557 103 1 3 . 1 1 15 15 GLY H H 15 8.816 8.816 7.958 0.858 19557 104 1 3 . 1 1 16 16 GLY H H 16 8.392 8.392 7.682 0.710 19557 105 1 3 . 1 1 17 17 THR HA H 17 4.285 4.285 4.059 0.226 19557 106 1 3 . 1 1 18 18 GLY H H 18 8.328 8.328 8.624 -0.296 19557 107 1 3 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.726 -0.407 19557 108 1 3 . 1 1 19 19 CYS H H 19 7.270 7.270 8.077 -0.807 19557 109 1 3 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.333 0.057 19557 110 1 3 . 1 1 20 20 ARG H H 20 8.235 8.235 7.944 0.291 19557 111 1 3 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.630 -0.204 19557 112 1 3 . 1 1 21 21 CYS H H 21 8.472 8.472 8.668 -0.196 19557 113 1 3 . 1 1 22 22 THR HA H 22 4.280 4.280 4.140 0.140 19557 114 1 3 . 1 1 22 22 THR H H 22 7.885 7.885 7.757 0.128 19557 115 1 3 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.157 0.176 19557 116 1 3 . 1 1 24 24 ALA H H 24 8.028 8.028 8.194 -0.166 19557 117 1 3 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.248 0.108 19557 118 1 3 . 1 1 25 25 ARG H H 25 7.983 7.983 8.337 -0.354 19557 119 1 3 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.544 -0.257 19557 120 1 3 . 1 1 30 30 ALA H H 30 8.295 8.295 8.097 0.198 19557 121 1 4 . 1 1 2 2 GLY H H 2 8.312 8.312 8.274 0.038 19557 122 1 4 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.871 -0.166 19557 123 1 4 . 1 1 3 3 CYS H H 3 7.987 7.987 8.488 -0.501 19557 124 1 4 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.827 -0.072 19557 125 1 4 . 1 1 4 4 ASP H H 4 9.311 9.311 8.124 1.187 19557 126 1 4 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.527 -0.072 19557 127 1 4 . 1 1 5 5 ASP H H 5 8.710 8.710 8.557 0.153 19557 128 1 4 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.253 0.356 19557 129 1 4 . 1 1 6 6 LYS H H 6 8.652 8.652 8.079 0.573 19557 130 1 4 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.564 -0.081 19557 131 1 4 . 1 1 7 7 CYS H H 7 7.698 7.698 7.745 -0.047 19557 132 1 4 . 1 1 8 8 GLY H H 8 8.756 8.756 7.656 1.100 19557 133 1 4 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.773 -0.357 19557 134 1 4 . 1 1 9 9 CYS H H 9 8.516 8.516 7.400 1.116 19557 135 1 4 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.272 -0.128 19557 136 1 4 . 1 1 10 10 ALA H H 10 8.503 8.503 7.970 0.533 19557 137 1 4 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.447 -0.215 19557 138 1 4 . 1 1 11 11 VAL H H 11 7.998 7.998 8.280 -0.282 19557 139 1 4 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.442 0.304 19557 140 1 4 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.671 -0.113 19557 141 1 4 . 1 1 13 13 CYS H H 13 8.505 8.505 8.446 0.059 19557 142 1 4 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.036 19557 143 1 4 . 1 1 15 15 GLY H H 15 8.816 8.816 7.989 0.827 19557 144 1 4 . 1 1 16 16 GLY H H 16 8.392 8.392 8.053 0.339 19557 145 1 4 . 1 1 17 17 THR HA H 17 4.285 4.285 4.147 0.138 19557 146 1 4 . 1 1 18 18 GLY H H 18 8.328 8.328 7.961 0.367 19557 147 1 4 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.906 -0.587 19557 148 1 4 . 1 1 19 19 CYS H H 19 7.270 7.270 7.895 -0.625 19557 149 1 4 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.378 0.012 19557 150 1 4 . 1 1 20 20 ARG H H 20 8.235 8.235 7.963 0.272 19557 151 1 4 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.861 -0.435 19557 152 1 4 . 1 1 21 21 CYS H H 21 8.472 8.472 8.393 0.080 19557 153 1 4 . 1 1 22 22 THR HA H 22 4.280 4.280 4.417 -0.137 19557 154 1 4 . 1 1 22 22 THR H H 22 7.885 7.885 7.858 0.027 19557 155 1 4 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.678 -0.345 19557 156 1 4 . 1 1 24 24 ALA H H 24 8.028 8.028 7.563 0.465 19557 157 1 4 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.279 0.077 19557 158 1 4 . 1 1 25 25 ARG H H 25 7.983 7.983 8.606 -0.623 19557 159 1 4 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.247 0.040 19557 160 1 4 . 1 1 30 30 ALA H H 30 8.295 8.295 8.538 -0.243 19557 161 1 5 . 1 1 2 2 GLY H H 2 8.312 8.312 8.103 0.209 19557 162 1 5 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.714 -0.009 19557 163 1 5 . 1 1 3 3 CYS H H 3 7.987 7.987 8.553 -0.566 19557 164 1 5 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.812 -0.057 19557 165 1 5 . 1 1 4 4 ASP H H 4 9.311 9.311 8.339 0.972 19557 166 1 5 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.409 0.046 19557 167 1 5 . 1 1 5 5 ASP H H 5 8.710 8.710 8.582 0.128 19557 168 1 5 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.100 0.509 19557 169 1 5 . 1 1 6 6 LYS H H 6 8.652 8.652 8.169 0.483 19557 170 1 5 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.510 -0.027 19557 171 1 5 . 1 1 7 7 CYS H H 7 7.698 7.698 7.719 -0.021 19557 172 1 5 . 1 1 8 8 GLY H H 8 8.756 8.756 7.550 1.206 19557 173 1 5 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.639 -0.223 19557 174 1 5 . 1 1 9 9 CYS H H 9 8.516 8.516 7.404 1.112 19557 175 1 5 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.358 -0.214 19557 176 1 5 . 1 1 10 10 ALA H H 10 8.503 8.503 8.250 0.253 19557 177 1 5 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.380 -0.148 19557 178 1 5 . 1 1 11 11 VAL H H 11 7.998 7.998 8.371 -0.373 19557 179 1 5 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.512 0.234 19557 180 1 5 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.665 -0.107 19557 181 1 5 . 1 1 13 13 CYS H H 13 8.505 8.505 8.568 -0.063 19557 182 1 5 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.596 -0.055 19557 183 1 5 . 1 1 15 15 GLY H H 15 8.816 8.816 7.425 1.391 19557 184 1 5 . 1 1 16 16 GLY H H 16 8.392 8.392 8.347 0.045 19557 185 1 5 . 1 1 17 17 THR HA H 17 4.285 4.285 4.136 0.149 19557 186 1 5 . 1 1 18 18 GLY H H 18 8.328 8.328 7.749 0.579 19557 187 1 5 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.932 -0.613 19557 188 1 5 . 1 1 19 19 CYS H H 19 7.270 7.270 7.524 -0.254 19557 189 1 5 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.224 0.166 19557 190 1 5 . 1 1 20 20 ARG H H 20 8.235 8.235 8.069 0.166 19557 191 1 5 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.685 -0.259 19557 192 1 5 . 1 1 21 21 CYS H H 21 8.472 8.472 8.483 -0.011 19557 193 1 5 . 1 1 22 22 THR HA H 22 4.280 4.280 4.500 -0.220 19557 194 1 5 . 1 1 22 22 THR H H 22 7.885 7.885 7.828 0.057 19557 195 1 5 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.412 -0.079 19557 196 1 5 . 1 1 24 24 ALA H H 24 8.028 8.028 8.112 -0.084 19557 197 1 5 . 1 1 25 25 ARG HA H 25 4.356 4.356 3.969 0.387 19557 198 1 5 . 1 1 25 25 ARG H H 25 7.983 7.983 8.465 -0.482 19557 199 1 5 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.526 -0.239 19557 200 1 5 . 1 1 30 30 ALA H H 30 8.295 8.295 8.105 0.190 19557 201 1 6 . 1 1 2 2 GLY H H 2 8.312 8.312 8.153 0.159 19557 202 1 6 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.599 0.106 19557 203 1 6 . 1 1 3 3 CYS H H 3 7.987 7.987 8.058 -0.071 19557 204 1 6 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.742 0.013 19557 205 1 6 . 1 1 4 4 ASP H H 4 9.311 9.311 8.495 0.816 19557 206 1 6 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.458 -0.003 19557 207 1 6 . 1 1 5 5 ASP H H 5 8.710 8.710 8.595 0.115 19557 208 1 6 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.060 0.549 19557 209 1 6 . 1 1 6 6 LYS H H 6 8.652 8.652 7.949 0.703 19557 210 1 6 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.361 0.122 19557 211 1 6 . 1 1 7 7 CYS H H 7 7.698 7.698 7.781 -0.083 19557 212 1 6 . 1 1 8 8 GLY H H 8 8.756 8.756 7.907 0.849 19557 213 1 6 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.595 -0.179 19557 214 1 6 . 1 1 9 9 CYS H H 9 8.516 8.516 7.670 0.846 19557 215 1 6 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.306 -0.163 19557 216 1 6 . 1 1 10 10 ALA H H 10 8.503 8.503 8.360 0.143 19557 217 1 6 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.367 -0.135 19557 218 1 6 . 1 1 11 11 VAL H H 11 7.998 7.998 8.250 -0.252 19557 219 1 6 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.598 0.148 19557 220 1 6 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.679 -0.121 19557 221 1 6 . 1 1 13 13 CYS H H 13 8.505 8.505 8.341 0.164 19557 222 1 6 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.380 0.161 19557 223 1 6 . 1 1 15 15 GLY H H 15 8.816 8.816 7.988 0.828 19557 224 1 6 . 1 1 16 16 GLY H H 16 8.392 8.392 7.622 0.770 19557 225 1 6 . 1 1 17 17 THR HA H 17 4.285 4.285 4.085 0.200 19557 226 1 6 . 1 1 18 18 GLY H H 18 8.328 8.328 7.925 0.403 19557 227 1 6 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.695 -0.376 19557 228 1 6 . 1 1 19 19 CYS H H 19 7.270 7.270 7.618 -0.348 19557 229 1 6 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.410 -0.020 19557 230 1 6 . 1 1 20 20 ARG H H 20 8.235 8.235 8.950 -0.715 19557 231 1 6 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.838 -0.412 19557 232 1 6 . 1 1 21 21 CYS H H 21 8.472 8.472 7.644 0.828 19557 233 1 6 . 1 1 22 22 THR HA H 22 4.280 4.280 4.451 -0.171 19557 234 1 6 . 1 1 22 22 THR H H 22 7.885 7.885 7.631 0.254 19557 235 1 6 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.612 -0.279 19557 236 1 6 . 1 1 24 24 ALA H H 24 8.028 8.028 7.586 0.442 19557 237 1 6 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.541 -0.185 19557 238 1 6 . 1 1 25 25 ARG H H 25 7.983 7.983 8.621 -0.638 19557 239 1 6 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.495 -0.208 19557 240 1 6 . 1 1 30 30 ALA H H 30 8.295 8.295 7.725 0.570 19557 241 1 7 . 1 1 2 2 GLY H H 2 8.312 8.312 8.298 0.014 19557 242 1 7 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.648 0.057 19557 243 1 7 . 1 1 3 3 CYS H H 3 7.987 7.987 7.912 0.075 19557 244 1 7 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.682 0.073 19557 245 1 7 . 1 1 4 4 ASP H H 4 9.311 9.311 8.034 1.277 19557 246 1 7 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.446 0.009 19557 247 1 7 . 1 1 5 5 ASP H H 5 8.710 8.710 8.565 0.145 19557 248 1 7 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.149 0.460 19557 249 1 7 . 1 1 6 6 LYS H H 6 8.652 8.652 8.239 0.413 19557 250 1 7 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.473 0.010 19557 251 1 7 . 1 1 7 7 CYS H H 7 7.698 7.698 7.799 -0.101 19557 252 1 7 . 1 1 8 8 GLY H H 8 8.756 8.756 7.516 1.240 19557 253 1 7 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.634 -0.218 19557 254 1 7 . 1 1 9 9 CYS H H 9 8.516 8.516 7.314 1.202 19557 255 1 7 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.246 -0.102 19557 256 1 7 . 1 1 10 10 ALA H H 10 8.503 8.503 7.979 0.524 19557 257 1 7 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.414 -0.182 19557 258 1 7 . 1 1 11 11 VAL H H 11 7.998 7.998 8.159 -0.161 19557 259 1 7 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.447 0.299 19557 260 1 7 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.719 -0.161 19557 261 1 7 . 1 1 13 13 CYS H H 13 8.505 8.505 8.594 -0.089 19557 262 1 7 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.600 -0.059 19557 263 1 7 . 1 1 15 15 GLY H H 15 8.816 8.816 7.687 1.129 19557 264 1 7 . 1 1 16 16 GLY H H 16 8.392 8.392 7.961 0.431 19557 265 1 7 . 1 1 17 17 THR HA H 17 4.285 4.285 4.037 0.248 19557 266 1 7 . 1 1 18 18 GLY H H 18 8.328 8.328 7.903 0.425 19557 267 1 7 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.929 -0.610 19557 268 1 7 . 1 1 19 19 CYS H H 19 7.270 7.270 7.803 -0.533 19557 269 1 7 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.313 0.077 19557 270 1 7 . 1 1 20 20 ARG H H 20 8.235 8.235 8.348 -0.113 19557 271 1 7 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.736 -0.310 19557 272 1 7 . 1 1 21 21 CYS H H 21 8.472 8.472 8.416 0.056 19557 273 1 7 . 1 1 22 22 THR HA H 22 4.280 4.280 4.211 0.069 19557 274 1 7 . 1 1 22 22 THR H H 22 7.885 7.885 8.003 -0.118 19557 275 1 7 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.285 0.048 19557 276 1 7 . 1 1 24 24 ALA H H 24 8.028 8.028 7.587 0.441 19557 277 1 7 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.248 0.108 19557 278 1 7 . 1 1 25 25 ARG H H 25 7.983 7.983 8.567 -0.584 19557 279 1 7 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.542 -0.255 19557 280 1 7 . 1 1 30 30 ALA H H 30 8.295 8.295 8.291 0.004 19557 281 1 8 . 1 1 2 2 GLY H H 2 8.312 8.312 8.304 0.008 19557 282 1 8 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.769 -0.064 19557 283 1 8 . 1 1 3 3 CYS H H 3 7.987 7.987 8.359 -0.372 19557 284 1 8 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.779 -0.024 19557 285 1 8 . 1 1 4 4 ASP H H 4 9.311 9.311 8.029 1.282 19557 286 1 8 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.433 0.022 19557 287 1 8 . 1 1 5 5 ASP H H 5 8.710 8.710 8.588 0.122 19557 288 1 8 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.356 0.253 19557 289 1 8 . 1 1 6 6 LYS H H 6 8.652 8.652 8.841 -0.189 19557 290 1 8 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.292 0.191 19557 291 1 8 . 1 1 7 7 CYS H H 7 7.698 7.698 7.682 0.016 19557 292 1 8 . 1 1 8 8 GLY H H 8 8.756 8.756 7.653 1.103 19557 293 1 8 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.674 -0.258 19557 294 1 8 . 1 1 9 9 CYS H H 9 8.516 8.516 7.432 1.084 19557 295 1 8 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.356 -0.212 19557 296 1 8 . 1 1 10 10 ALA H H 10 8.503 8.503 8.547 -0.044 19557 297 1 8 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.300 -0.068 19557 298 1 8 . 1 1 11 11 VAL H H 11 7.998 7.998 8.325 -0.327 19557 299 1 8 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.537 0.209 19557 300 1 8 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.623 -0.065 19557 301 1 8 . 1 1 13 13 CYS H H 13 8.505 8.505 8.512 -0.007 19557 302 1 8 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.391 0.150 19557 303 1 8 . 1 1 15 15 GLY H H 15 8.816 8.816 8.042 0.774 19557 304 1 8 . 1 1 16 16 GLY H H 16 8.392 8.392 7.994 0.398 19557 305 1 8 . 1 1 17 17 THR HA H 17 4.285 4.285 4.206 0.079 19557 306 1 8 . 1 1 18 18 GLY H H 18 8.328 8.328 8.541 -0.213 19557 307 1 8 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.719 -0.400 19557 308 1 8 . 1 1 19 19 CYS H H 19 7.270 7.270 7.818 -0.548 19557 309 1 8 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.289 0.101 19557 310 1 8 . 1 1 20 20 ARG H H 20 8.235 8.235 8.072 0.163 19557 311 1 8 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.599 -0.173 19557 312 1 8 . 1 1 21 21 CYS H H 21 8.472 8.472 8.711 -0.239 19557 313 1 8 . 1 1 22 22 THR HA H 22 4.280 4.280 4.169 0.111 19557 314 1 8 . 1 1 22 22 THR H H 22 7.885 7.885 8.106 -0.221 19557 315 1 8 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.096 0.237 19557 316 1 8 . 1 1 24 24 ALA H H 24 8.028 8.028 8.006 0.022 19557 317 1 8 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.384 -0.028 19557 318 1 8 . 1 1 25 25 ARG H H 25 7.983 7.983 8.441 -0.458 19557 319 1 8 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.947 0.340 19557 320 1 8 . 1 1 30 30 ALA H H 30 8.295 8.295 8.440 -0.145 19557 321 1 9 . 1 1 2 2 GLY H H 2 8.312 8.312 7.959 0.353 19557 322 1 9 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.909 -0.204 19557 323 1 9 . 1 1 3 3 CYS H H 3 7.987 7.987 8.260 -0.273 19557 324 1 9 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.725 0.030 19557 325 1 9 . 1 1 4 4 ASP H H 4 9.311 9.311 8.249 1.062 19557 326 1 9 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.354 0.101 19557 327 1 9 . 1 1 5 5 ASP H H 5 8.710 8.710 8.579 0.131 19557 328 1 9 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.381 0.228 19557 329 1 9 . 1 1 6 6 LYS H H 6 8.652 8.652 8.667 -0.015 19557 330 1 9 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.564 -0.081 19557 331 1 9 . 1 1 7 7 CYS H H 7 7.698 7.698 7.831 -0.133 19557 332 1 9 . 1 1 8 8 GLY H H 8 8.756 8.756 7.864 0.892 19557 333 1 9 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.830 -0.414 19557 334 1 9 . 1 1 9 9 CYS H H 9 8.516 8.516 7.218 1.298 19557 335 1 9 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.317 -0.173 19557 336 1 9 . 1 1 10 10 ALA H H 10 8.503 8.503 7.982 0.521 19557 337 1 9 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.433 -0.201 19557 338 1 9 . 1 1 11 11 VAL H H 11 7.998 7.998 8.322 -0.324 19557 339 1 9 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.545 0.201 19557 340 1 9 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.710 -0.152 19557 341 1 9 . 1 1 13 13 CYS H H 13 8.505 8.505 8.426 0.079 19557 342 1 9 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.501 0.040 19557 343 1 9 . 1 1 15 15 GLY H H 15 8.816 8.816 8.241 0.575 19557 344 1 9 . 1 1 16 16 GLY H H 16 8.392 8.392 7.891 0.501 19557 345 1 9 . 1 1 17 17 THR HA H 17 4.285 4.285 4.196 0.089 19557 346 1 9 . 1 1 18 18 GLY H H 18 8.328 8.328 8.018 0.310 19557 347 1 9 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.829 -0.510 19557 348 1 9 . 1 1 19 19 CYS H H 19 7.270 7.270 7.864 -0.594 19557 349 1 9 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.286 0.104 19557 350 1 9 . 1 1 20 20 ARG H H 20 8.235 8.235 7.843 0.392 19557 351 1 9 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.735 -0.309 19557 352 1 9 . 1 1 21 21 CYS H H 21 8.472 8.472 8.609 -0.137 19557 353 1 9 . 1 1 22 22 THR HA H 22 4.280 4.280 4.368 -0.088 19557 354 1 9 . 1 1 22 22 THR H H 22 7.885 7.885 7.649 0.236 19557 355 1 9 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.534 -0.201 19557 356 1 9 . 1 1 24 24 ALA H H 24 8.028 8.028 7.072 0.956 19557 357 1 9 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.477 -0.121 19557 358 1 9 . 1 1 25 25 ARG H H 25 7.983 7.983 8.474 -0.491 19557 359 1 9 . 1 1 30 30 ALA HA H 30 4.287 4.287 5.039 -0.752 19557 360 1 9 . 1 1 30 30 ALA H H 30 8.295 8.295 7.900 0.395 19557 361 1 10 . 1 1 2 2 GLY H H 2 8.312 8.312 8.133 0.179 19557 362 1 10 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.686 0.019 19557 363 1 10 . 1 1 3 3 CYS H H 3 7.987 7.987 8.533 -0.546 19557 364 1 10 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.849 -0.094 19557 365 1 10 . 1 1 4 4 ASP H H 4 9.311 9.311 8.393 0.918 19557 366 1 10 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.426 0.029 19557 367 1 10 . 1 1 5 5 ASP H H 5 8.710 8.710 8.516 0.194 19557 368 1 10 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.151 0.458 19557 369 1 10 . 1 1 6 6 LYS H H 6 8.652 8.652 8.437 0.215 19557 370 1 10 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.336 0.147 19557 371 1 10 . 1 1 7 7 CYS H H 7 7.698 7.698 7.698 0.000 19557 372 1 10 . 1 1 8 8 GLY H H 8 8.756 8.756 7.839 0.917 19557 373 1 10 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.470 -0.054 19557 374 1 10 . 1 1 9 9 CYS H H 9 8.516 8.516 7.407 1.109 19557 375 1 10 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.275 -0.131 19557 376 1 10 . 1 1 10 10 ALA H H 10 8.503 8.503 8.137 0.366 19557 377 1 10 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.445 -0.213 19557 378 1 10 . 1 1 11 11 VAL H H 11 7.998 7.998 8.231 -0.233 19557 379 1 10 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.471 0.275 19557 380 1 10 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.609 -0.051 19557 381 1 10 . 1 1 13 13 CYS H H 13 8.505 8.505 8.451 0.054 19557 382 1 10 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.453 0.088 19557 383 1 10 . 1 1 15 15 GLY H H 15 8.816 8.816 7.952 0.864 19557 384 1 10 . 1 1 16 16 GLY H H 16 8.392 8.392 7.941 0.451 19557 385 1 10 . 1 1 17 17 THR HA H 17 4.285 4.285 4.061 0.224 19557 386 1 10 . 1 1 18 18 GLY H H 18 8.328 8.328 7.882 0.446 19557 387 1 10 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.760 -0.441 19557 388 1 10 . 1 1 19 19 CYS H H 19 7.270 7.270 7.782 -0.512 19557 389 1 10 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.323 0.067 19557 390 1 10 . 1 1 20 20 ARG H H 20 8.235 8.235 8.621 -0.386 19557 391 1 10 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.679 -0.253 19557 392 1 10 . 1 1 21 21 CYS H H 21 8.472 8.472 8.549 -0.077 19557 393 1 10 . 1 1 22 22 THR HA H 22 4.280 4.280 4.277 0.003 19557 394 1 10 . 1 1 22 22 THR H H 22 7.885 7.885 7.865 0.020 19557 395 1 10 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.595 -0.262 19557 396 1 10 . 1 1 24 24 ALA H H 24 8.028 8.028 7.066 0.962 19557 397 1 10 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.298 0.058 19557 398 1 10 . 1 1 25 25 ARG H H 25 7.983 7.983 8.662 -0.679 19557 399 1 10 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.416 -0.129 19557 400 1 10 . 1 1 30 30 ALA H H 30 8.295 8.295 7.648 0.647 19557 401 1 11 . 1 1 2 2 GLY H H 2 8.312 8.312 8.061 0.251 19557 402 1 11 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.641 0.064 19557 403 1 11 . 1 1 3 3 CYS H H 3 7.987 7.987 8.251 -0.264 19557 404 1 11 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.603 0.152 19557 405 1 11 . 1 1 4 4 ASP H H 4 9.311 9.311 7.732 1.579 19557 406 1 11 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.354 0.101 19557 407 1 11 . 1 1 5 5 ASP H H 5 8.710 8.710 8.602 0.108 19557 408 1 11 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.275 0.334 19557 409 1 11 . 1 1 6 6 LYS H H 6 8.652 8.652 8.717 -0.065 19557 410 1 11 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.442 0.041 19557 411 1 11 . 1 1 7 7 CYS H H 7 7.698 7.698 7.959 -0.261 19557 412 1 11 . 1 1 8 8 GLY H H 8 8.756 8.756 7.773 0.983 19557 413 1 11 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.718 -0.302 19557 414 1 11 . 1 1 9 9 CYS H H 9 8.516 8.516 7.298 1.218 19557 415 1 11 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.321 -0.177 19557 416 1 11 . 1 1 10 10 ALA H H 10 8.503 8.503 8.223 0.280 19557 417 1 11 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.351 -0.119 19557 418 1 11 . 1 1 11 11 VAL H H 11 7.998 7.998 8.268 -0.270 19557 419 1 11 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.507 0.239 19557 420 1 11 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.690 -0.132 19557 421 1 11 . 1 1 13 13 CYS H H 13 8.505 8.505 8.386 0.119 19557 422 1 11 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.573 -0.032 19557 423 1 11 . 1 1 15 15 GLY H H 15 8.816 8.816 7.349 1.467 19557 424 1 11 . 1 1 16 16 GLY H H 16 8.392 8.392 8.397 -0.005 19557 425 1 11 . 1 1 17 17 THR HA H 17 4.285 4.285 4.164 0.121 19557 426 1 11 . 1 1 18 18 GLY H H 18 8.328 8.328 7.809 0.519 19557 427 1 11 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.816 -0.497 19557 428 1 11 . 1 1 19 19 CYS H H 19 7.270 7.270 7.553 -0.283 19557 429 1 11 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.308 0.082 19557 430 1 11 . 1 1 20 20 ARG H H 20 8.235 8.235 8.436 -0.201 19557 431 1 11 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.833 -0.407 19557 432 1 11 . 1 1 21 21 CYS H H 21 8.472 8.472 8.749 -0.277 19557 433 1 11 . 1 1 22 22 THR HA H 22 4.280 4.280 4.439 -0.159 19557 434 1 11 . 1 1 22 22 THR H H 22 7.885 7.885 8.146 -0.261 19557 435 1 11 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.600 -0.267 19557 436 1 11 . 1 1 24 24 ALA H H 24 8.028 8.028 7.583 0.445 19557 437 1 11 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.362 -0.006 19557 438 1 11 . 1 1 25 25 ARG H H 25 7.983 7.983 8.551 -0.568 19557 439 1 11 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.382 -0.095 19557 440 1 11 . 1 1 30 30 ALA H H 30 8.295 8.295 8.545 -0.250 19557 441 1 12 . 1 1 2 2 GLY H H 2 8.312 8.312 8.047 0.265 19557 442 1 12 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.621 0.084 19557 443 1 12 . 1 1 3 3 CYS H H 3 7.987 7.987 8.062 -0.075 19557 444 1 12 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.648 0.107 19557 445 1 12 . 1 1 4 4 ASP H H 4 9.311 9.311 7.938 1.373 19557 446 1 12 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.472 -0.017 19557 447 1 12 . 1 1 5 5 ASP H H 5 8.710 8.710 8.625 0.085 19557 448 1 12 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.300 0.309 19557 449 1 12 . 1 1 6 6 LYS H H 6 8.652 8.652 7.964 0.688 19557 450 1 12 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.701 -0.218 19557 451 1 12 . 1 1 7 7 CYS H H 7 7.698 7.698 7.779 -0.081 19557 452 1 12 . 1 1 8 8 GLY H H 8 8.756 8.756 7.836 0.920 19557 453 1 12 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.643 -0.227 19557 454 1 12 . 1 1 9 9 CYS H H 9 8.516 8.516 7.470 1.046 19557 455 1 12 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.381 -0.237 19557 456 1 12 . 1 1 10 10 ALA H H 10 8.503 8.503 7.987 0.516 19557 457 1 12 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.324 -0.092 19557 458 1 12 . 1 1 11 11 VAL H H 11 7.998 7.998 8.372 -0.374 19557 459 1 12 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.488 0.258 19557 460 1 12 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.665 -0.107 19557 461 1 12 . 1 1 13 13 CYS H H 13 8.505 8.505 8.643 -0.138 19557 462 1 12 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.547 -0.006 19557 463 1 12 . 1 1 15 15 GLY H H 15 8.816 8.816 8.036 0.780 19557 464 1 12 . 1 1 16 16 GLY H H 16 8.392 8.392 7.749 0.643 19557 465 1 12 . 1 1 17 17 THR HA H 17 4.285 4.285 4.089 0.196 19557 466 1 12 . 1 1 18 18 GLY H H 18 8.328 8.328 7.995 0.333 19557 467 1 12 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.830 -0.511 19557 468 1 12 . 1 1 19 19 CYS H H 19 7.270 7.270 8.157 -0.887 19557 469 1 12 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.270 0.120 19557 470 1 12 . 1 1 20 20 ARG H H 20 8.235 8.235 8.078 0.157 19557 471 1 12 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.685 -0.259 19557 472 1 12 . 1 1 21 21 CYS H H 21 8.472 8.472 8.427 0.045 19557 473 1 12 . 1 1 22 22 THR HA H 22 4.280 4.280 4.128 0.152 19557 474 1 12 . 1 1 22 22 THR H H 22 7.885 7.885 7.973 -0.088 19557 475 1 12 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.330 0.003 19557 476 1 12 . 1 1 24 24 ALA H H 24 8.028 8.028 7.800 0.228 19557 477 1 12 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.417 -0.061 19557 478 1 12 . 1 1 25 25 ARG H H 25 7.983 7.983 8.310 -0.327 19557 479 1 12 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.549 -0.262 19557 480 1 12 . 1 1 30 30 ALA H H 30 8.295 8.295 7.823 0.472 19557 481 1 13 . 1 1 2 2 GLY H H 2 8.312 8.312 7.930 0.382 19557 482 1 13 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.875 -0.170 19557 483 1 13 . 1 1 3 3 CYS H H 3 7.987 7.987 8.408 -0.421 19557 484 1 13 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.883 -0.128 19557 485 1 13 . 1 1 4 4 ASP H H 4 9.311 9.311 8.420 0.891 19557 486 1 13 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.377 0.078 19557 487 1 13 . 1 1 5 5 ASP H H 5 8.710 8.710 8.567 0.143 19557 488 1 13 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.213 0.396 19557 489 1 13 . 1 1 6 6 LYS H H 6 8.652 8.652 8.233 0.419 19557 490 1 13 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.506 -0.023 19557 491 1 13 . 1 1 7 7 CYS H H 7 7.698 7.698 7.923 -0.225 19557 492 1 13 . 1 1 8 8 GLY H H 8 8.756 8.756 8.074 0.682 19557 493 1 13 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.694 -0.278 19557 494 1 13 . 1 1 9 9 CYS H H 9 8.516 8.516 7.332 1.184 19557 495 1 13 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.321 -0.177 19557 496 1 13 . 1 1 10 10 ALA H H 10 8.503 8.503 8.139 0.364 19557 497 1 13 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.408 -0.176 19557 498 1 13 . 1 1 11 11 VAL H H 11 7.998 7.998 8.215 -0.217 19557 499 1 13 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.493 0.253 19557 500 1 13 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.643 -0.085 19557 501 1 13 . 1 1 13 13 CYS H H 13 8.505 8.505 8.538 -0.033 19557 502 1 13 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.554 -0.013 19557 503 1 13 . 1 1 15 15 GLY H H 15 8.816 8.816 8.045 0.771 19557 504 1 13 . 1 1 16 16 GLY H H 16 8.392 8.392 7.471 0.921 19557 505 1 13 . 1 1 17 17 THR HA H 17 4.285 4.285 4.057 0.228 19557 506 1 13 . 1 1 18 18 GLY H H 18 8.328 8.328 7.892 0.436 19557 507 1 13 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.787 -0.468 19557 508 1 13 . 1 1 19 19 CYS H H 19 7.270 7.270 7.752 -0.482 19557 509 1 13 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.320 0.070 19557 510 1 13 . 1 1 20 20 ARG H H 20 8.235 8.235 8.753 -0.518 19557 511 1 13 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.644 -0.218 19557 512 1 13 . 1 1 21 21 CYS H H 21 8.472 8.472 8.413 0.059 19557 513 1 13 . 1 1 22 22 THR HA H 22 4.280 4.280 4.235 0.045 19557 514 1 13 . 1 1 22 22 THR H H 22 7.885 7.885 8.519 -0.634 19557 515 1 13 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.235 0.098 19557 516 1 13 . 1 1 24 24 ALA H H 24 8.028 8.028 7.806 0.222 19557 517 1 13 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.502 -0.146 19557 518 1 13 . 1 1 25 25 ARG H H 25 7.983 7.983 8.563 -0.580 19557 519 1 13 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.509 -0.222 19557 520 1 13 . 1 1 30 30 ALA H H 30 8.295 8.295 8.459 -0.164 19557 521 1 14 . 1 1 2 2 GLY H H 2 8.312 8.312 8.148 0.164 19557 522 1 14 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.835 -0.130 19557 523 1 14 . 1 1 3 3 CYS H H 3 7.987 7.987 8.493 -0.506 19557 524 1 14 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.770 -0.015 19557 525 1 14 . 1 1 4 4 ASP H H 4 9.311 9.311 8.190 1.121 19557 526 1 14 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.356 0.099 19557 527 1 14 . 1 1 5 5 ASP H H 5 8.710 8.710 8.677 0.033 19557 528 1 14 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.214 0.395 19557 529 1 14 . 1 1 6 6 LYS H H 6 8.652 8.652 8.379 0.273 19557 530 1 14 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.485 -0.002 19557 531 1 14 . 1 1 7 7 CYS H H 7 7.698 7.698 7.827 -0.129 19557 532 1 14 . 1 1 8 8 GLY H H 8 8.756 8.756 7.902 0.854 19557 533 1 14 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.761 -0.345 19557 534 1 14 . 1 1 9 9 CYS H H 9 8.516 8.516 7.361 1.155 19557 535 1 14 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.462 -0.318 19557 536 1 14 . 1 1 10 10 ALA H H 10 8.503 8.503 8.361 0.142 19557 537 1 14 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.392 -0.160 19557 538 1 14 . 1 1 11 11 VAL H H 11 7.998 7.998 8.360 -0.362 19557 539 1 14 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.512 0.234 19557 540 1 14 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.744 -0.186 19557 541 1 14 . 1 1 13 13 CYS H H 13 8.505 8.505 8.663 -0.158 19557 542 1 14 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.361 0.180 19557 543 1 14 . 1 1 15 15 GLY H H 15 8.816 8.816 7.984 0.832 19557 544 1 14 . 1 1 16 16 GLY H H 16 8.392 8.392 7.933 0.459 19557 545 1 14 . 1 1 17 17 THR HA H 17 4.285 4.285 4.163 0.122 19557 546 1 14 . 1 1 18 18 GLY H H 18 8.328 8.328 8.569 -0.241 19557 547 1 14 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.962 -0.643 19557 548 1 14 . 1 1 19 19 CYS H H 19 7.270 7.270 7.927 -0.657 19557 549 1 14 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.081 0.309 19557 550 1 14 . 1 1 20 20 ARG H H 20 8.235 8.235 8.487 -0.252 19557 551 1 14 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.314 0.112 19557 552 1 14 . 1 1 21 21 CYS H H 21 8.472 8.472 8.188 0.284 19557 553 1 14 . 1 1 22 22 THR HA H 22 4.280 4.280 4.149 0.131 19557 554 1 14 . 1 1 22 22 THR H H 22 7.885 7.885 8.038 -0.153 19557 555 1 14 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.563 -0.230 19557 556 1 14 . 1 1 24 24 ALA H H 24 8.028 8.028 7.920 0.108 19557 557 1 14 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.490 -0.134 19557 558 1 14 . 1 1 25 25 ARG H H 25 7.983 7.983 8.061 -0.078 19557 559 1 14 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.682 -0.395 19557 560 1 14 . 1 1 30 30 ALA H H 30 8.295 8.295 7.770 0.525 19557 561 1 15 . 1 1 2 2 GLY H H 2 8.312 8.312 8.616 -0.304 19557 562 1 15 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.852 -0.147 19557 563 1 15 . 1 1 3 3 CYS H H 3 7.987 7.987 8.040 -0.053 19557 564 1 15 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.790 -0.035 19557 565 1 15 . 1 1 4 4 ASP H H 4 9.311 9.311 7.996 1.315 19557 566 1 15 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.518 -0.063 19557 567 1 15 . 1 1 5 5 ASP H H 5 8.710 8.710 8.571 0.139 19557 568 1 15 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.210 0.399 19557 569 1 15 . 1 1 6 6 LYS H H 6 8.652 8.652 7.983 0.669 19557 570 1 15 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.458 0.025 19557 571 1 15 . 1 1 7 7 CYS H H 7 7.698 7.698 7.670 0.028 19557 572 1 15 . 1 1 8 8 GLY H H 8 8.756 8.756 7.712 1.044 19557 573 1 15 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.693 -0.277 19557 574 1 15 . 1 1 9 9 CYS H H 9 8.516 8.516 7.514 1.002 19557 575 1 15 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.399 -0.255 19557 576 1 15 . 1 1 10 10 ALA H H 10 8.503 8.503 8.410 0.093 19557 577 1 15 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.399 -0.167 19557 578 1 15 . 1 1 11 11 VAL H H 11 7.998 7.998 8.177 -0.179 19557 579 1 15 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.474 0.272 19557 580 1 15 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.672 -0.114 19557 581 1 15 . 1 1 13 13 CYS H H 13 8.505 8.505 8.439 0.066 19557 582 1 15 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.563 -0.022 19557 583 1 15 . 1 1 15 15 GLY H H 15 8.816 8.816 7.358 1.458 19557 584 1 15 . 1 1 16 16 GLY H H 16 8.392 8.392 8.287 0.105 19557 585 1 15 . 1 1 17 17 THR HA H 17 4.285 4.285 4.281 0.004 19557 586 1 15 . 1 1 18 18 GLY H H 18 8.328 8.328 7.822 0.506 19557 587 1 15 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.815 -0.496 19557 588 1 15 . 1 1 19 19 CYS H H 19 7.270 7.270 7.558 -0.288 19557 589 1 15 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.273 0.117 19557 590 1 15 . 1 1 20 20 ARG H H 20 8.235 8.235 8.493 -0.258 19557 591 1 15 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.823 -0.397 19557 592 1 15 . 1 1 21 21 CYS H H 21 8.472 8.472 8.600 -0.128 19557 593 1 15 . 1 1 22 22 THR HA H 22 4.280 4.280 4.312 -0.032 19557 594 1 15 . 1 1 22 22 THR H H 22 7.885 7.885 8.076 -0.191 19557 595 1 15 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.146 0.187 19557 596 1 15 . 1 1 24 24 ALA H H 24 8.028 8.028 8.243 -0.215 19557 597 1 15 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.463 -0.107 19557 598 1 15 . 1 1 25 25 ARG H H 25 7.983 7.983 7.840 0.143 19557 599 1 15 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.394 -0.107 19557 600 1 15 . 1 1 30 30 ALA H H 30 8.295 8.295 8.529 -0.234 19557 601 1 16 . 1 1 2 2 GLY H H 2 8.312 8.312 8.496 -0.184 19557 602 1 16 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.825 -0.120 19557 603 1 16 . 1 1 3 3 CYS H H 3 7.987 7.987 8.420 -0.433 19557 604 1 16 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.703 0.052 19557 605 1 16 . 1 1 4 4 ASP H H 4 9.311 9.311 8.120 1.191 19557 606 1 16 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.602 -0.147 19557 607 1 16 . 1 1 5 5 ASP H H 5 8.710 8.710 8.550 0.160 19557 608 1 16 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.268 0.341 19557 609 1 16 . 1 1 6 6 LYS H H 6 8.652 8.652 8.654 -0.002 19557 610 1 16 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.338 0.145 19557 611 1 16 . 1 1 7 7 CYS H H 7 7.698 7.698 7.674 0.024 19557 612 1 16 . 1 1 8 8 GLY H H 8 8.756 8.756 7.982 0.774 19557 613 1 16 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.694 -0.278 19557 614 1 16 . 1 1 9 9 CYS H H 9 8.516 8.516 7.524 0.992 19557 615 1 16 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.348 -0.204 19557 616 1 16 . 1 1 10 10 ALA H H 10 8.503 8.503 8.586 -0.083 19557 617 1 16 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.352 -0.120 19557 618 1 16 . 1 1 11 11 VAL H H 11 7.998 7.998 8.049 -0.051 19557 619 1 16 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.495 0.251 19557 620 1 16 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.726 -0.168 19557 621 1 16 . 1 1 13 13 CYS H H 13 8.505 8.505 8.618 -0.113 19557 622 1 16 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.395 0.146 19557 623 1 16 . 1 1 15 15 GLY H H 15 8.816 8.816 8.118 0.698 19557 624 1 16 . 1 1 16 16 GLY H H 16 8.392 8.392 7.937 0.455 19557 625 1 16 . 1 1 17 17 THR HA H 17 4.285 4.285 4.117 0.168 19557 626 1 16 . 1 1 18 18 GLY H H 18 8.328 8.328 7.867 0.461 19557 627 1 16 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.844 -0.525 19557 628 1 16 . 1 1 19 19 CYS H H 19 7.270 7.270 7.643 -0.373 19557 629 1 16 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.337 0.053 19557 630 1 16 . 1 1 20 20 ARG H H 20 8.235 8.235 9.060 -0.825 19557 631 1 16 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.806 -0.380 19557 632 1 16 . 1 1 21 21 CYS H H 21 8.472 8.472 8.696 -0.224 19557 633 1 16 . 1 1 22 22 THR HA H 22 4.280 4.280 4.421 -0.141 19557 634 1 16 . 1 1 22 22 THR H H 22 7.885 7.885 7.979 -0.094 19557 635 1 16 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.556 -0.223 19557 636 1 16 . 1 1 24 24 ALA H H 24 8.028 8.028 7.409 0.619 19557 637 1 16 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.383 -0.027 19557 638 1 16 . 1 1 25 25 ARG H H 25 7.983 7.983 8.559 -0.576 19557 639 1 16 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.692 -0.405 19557 640 1 16 . 1 1 30 30 ALA H H 30 8.295 8.295 7.568 0.727 19557 641 1 17 . 1 1 2 2 GLY H H 2 8.312 8.312 8.256 0.056 19557 642 1 17 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.519 0.186 19557 643 1 17 . 1 1 3 3 CYS H H 3 7.987 7.987 8.434 -0.447 19557 644 1 17 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.695 0.060 19557 645 1 17 . 1 1 4 4 ASP H H 4 9.311 9.311 7.843 1.468 19557 646 1 17 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.775 -0.320 19557 647 1 17 . 1 1 5 5 ASP H H 5 8.710 8.710 8.565 0.145 19557 648 1 17 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.222 0.387 19557 649 1 17 . 1 1 6 6 LYS H H 6 8.652 8.652 8.612 0.040 19557 650 1 17 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.385 0.098 19557 651 1 17 . 1 1 7 7 CYS H H 7 7.698 7.698 7.485 0.213 19557 652 1 17 . 1 1 8 8 GLY H H 8 8.756 8.756 7.790 0.966 19557 653 1 17 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.745 -0.329 19557 654 1 17 . 1 1 9 9 CYS H H 9 8.516 8.516 7.382 1.134 19557 655 1 17 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.479 -0.335 19557 656 1 17 . 1 1 10 10 ALA H H 10 8.503 8.503 8.061 0.442 19557 657 1 17 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.411 -0.179 19557 658 1 17 . 1 1 11 11 VAL H H 11 7.998 7.998 7.923 0.075 19557 659 1 17 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.447 0.299 19557 660 1 17 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.711 -0.153 19557 661 1 17 . 1 1 13 13 CYS H H 13 8.505 8.505 8.616 -0.111 19557 662 1 17 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.569 -0.028 19557 663 1 17 . 1 1 15 15 GLY H H 15 8.816 8.816 8.093 0.723 19557 664 1 17 . 1 1 16 16 GLY H H 16 8.392 8.392 7.929 0.463 19557 665 1 17 . 1 1 17 17 THR HA H 17 4.285 4.285 4.124 0.161 19557 666 1 17 . 1 1 18 18 GLY H H 18 8.328 8.328 8.504 -0.176 19557 667 1 17 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.909 -0.590 19557 668 1 17 . 1 1 19 19 CYS H H 19 7.270 7.270 8.015 -0.745 19557 669 1 17 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.326 0.064 19557 670 1 17 . 1 1 20 20 ARG H H 20 8.235 8.235 8.418 -0.183 19557 671 1 17 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.690 -0.264 19557 672 1 17 . 1 1 21 21 CYS H H 21 8.472 8.472 8.626 -0.154 19557 673 1 17 . 1 1 22 22 THR HA H 22 4.280 4.280 4.283 -0.003 19557 674 1 17 . 1 1 22 22 THR H H 22 7.885 7.885 8.111 -0.226 19557 675 1 17 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.594 -0.261 19557 676 1 17 . 1 1 24 24 ALA H H 24 8.028 8.028 7.394 0.634 19557 677 1 17 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.376 -0.020 19557 678 1 17 . 1 1 25 25 ARG H H 25 7.983 7.983 8.558 -0.575 19557 679 1 17 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.580 -0.293 19557 680 1 17 . 1 1 30 30 ALA H H 30 8.295 8.295 8.522 -0.227 19557 681 1 18 . 1 1 2 2 GLY H H 2 8.312 8.312 8.060 0.252 19557 682 1 18 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.384 0.321 19557 683 1 18 . 1 1 3 3 CYS H H 3 7.987 7.987 8.157 -0.170 19557 684 1 18 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.678 0.077 19557 685 1 18 . 1 1 4 4 ASP H H 4 9.311 9.311 7.916 1.395 19557 686 1 18 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.365 0.090 19557 687 1 18 . 1 1 5 5 ASP H H 5 8.710 8.710 8.609 0.101 19557 688 1 18 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.298 0.311 19557 689 1 18 . 1 1 6 6 LYS H H 6 8.652 8.652 8.892 -0.240 19557 690 1 18 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.446 0.037 19557 691 1 18 . 1 1 7 7 CYS H H 7 7.698 7.698 7.692 0.006 19557 692 1 18 . 1 1 8 8 GLY H H 8 8.756 8.756 7.674 1.082 19557 693 1 18 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.804 -0.388 19557 694 1 18 . 1 1 9 9 CYS H H 9 8.516 8.516 7.357 1.159 19557 695 1 18 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.368 -0.224 19557 696 1 18 . 1 1 10 10 ALA H H 10 8.503 8.503 8.201 0.302 19557 697 1 18 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.379 -0.147 19557 698 1 18 . 1 1 11 11 VAL H H 11 7.998 7.998 8.231 -0.233 19557 699 1 18 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.492 0.254 19557 700 1 18 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.692 -0.134 19557 701 1 18 . 1 1 13 13 CYS H H 13 8.505 8.505 8.592 -0.087 19557 702 1 18 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.561 -0.020 19557 703 1 18 . 1 1 15 15 GLY H H 15 8.816 8.816 7.805 1.011 19557 704 1 18 . 1 1 16 16 GLY H H 16 8.392 8.392 7.483 0.909 19557 705 1 18 . 1 1 17 17 THR HA H 17 4.285 4.285 4.054 0.231 19557 706 1 18 . 1 1 18 18 GLY H H 18 8.328 8.328 7.877 0.451 19557 707 1 18 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.725 -0.406 19557 708 1 18 . 1 1 19 19 CYS H H 19 7.270 7.270 7.934 -0.664 19557 709 1 18 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.291 0.099 19557 710 1 18 . 1 1 20 20 ARG H H 20 8.235 8.235 8.067 0.168 19557 711 1 18 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.715 -0.289 19557 712 1 18 . 1 1 21 21 CYS H H 21 8.472 8.472 8.725 -0.253 19557 713 1 18 . 1 1 22 22 THR HA H 22 4.280 4.280 4.585 -0.305 19557 714 1 18 . 1 1 22 22 THR H H 22 7.885 7.885 7.756 0.129 19557 715 1 18 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.511 -0.178 19557 716 1 18 . 1 1 24 24 ALA H H 24 8.028 8.028 8.632 -0.604 19557 717 1 18 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.447 -0.092 19557 718 1 18 . 1 1 25 25 ARG H H 25 7.983 7.983 8.074 -0.091 19557 719 1 18 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.269 0.018 19557 720 1 18 . 1 1 30 30 ALA H H 30 8.295 8.295 8.608 -0.313 19557 721 1 19 . 1 1 2 2 GLY H H 2 8.312 8.312 7.989 0.323 19557 722 1 19 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.776 -0.071 19557 723 1 19 . 1 1 3 3 CYS H H 3 7.987 7.987 7.997 -0.010 19557 724 1 19 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.810 -0.055 19557 725 1 19 . 1 1 4 4 ASP H H 4 9.311 9.311 8.077 1.234 19557 726 1 19 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.450 0.005 19557 727 1 19 . 1 1 5 5 ASP H H 5 8.710 8.710 8.584 0.126 19557 728 1 19 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.236 0.373 19557 729 1 19 . 1 1 6 6 LYS H H 6 8.652 8.652 8.751 -0.099 19557 730 1 19 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.544 -0.061 19557 731 1 19 . 1 1 7 7 CYS H H 7 7.698 7.698 7.570 0.128 19557 732 1 19 . 1 1 8 8 GLY H H 8 8.756 8.756 7.918 0.838 19557 733 1 19 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.685 -0.269 19557 734 1 19 . 1 1 9 9 CYS H H 9 8.516 8.516 7.534 0.982 19557 735 1 19 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.312 -0.168 19557 736 1 19 . 1 1 10 10 ALA H H 10 8.503 8.503 8.486 0.017 19557 737 1 19 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.347 -0.115 19557 738 1 19 . 1 1 11 11 VAL H H 11 7.998 7.998 8.171 -0.173 19557 739 1 19 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.547 0.199 19557 740 1 19 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.573 -0.015 19557 741 1 19 . 1 1 13 13 CYS H H 13 8.505 8.505 8.573 -0.068 19557 742 1 19 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.366 0.175 19557 743 1 19 . 1 1 15 15 GLY H H 15 8.816 8.816 8.255 0.561 19557 744 1 19 . 1 1 16 16 GLY H H 16 8.392 8.392 7.820 0.572 19557 745 1 19 . 1 1 17 17 THR HA H 17 4.285 4.285 4.230 0.055 19557 746 1 19 . 1 1 18 18 GLY H H 18 8.328 8.328 7.870 0.458 19557 747 1 19 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.771 -0.452 19557 748 1 19 . 1 1 19 19 CYS H H 19 7.270 7.270 7.576 -0.306 19557 749 1 19 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.367 0.023 19557 750 1 19 . 1 1 20 20 ARG H H 20 8.235 8.235 8.995 -0.760 19557 751 1 19 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.647 -0.221 19557 752 1 19 . 1 1 21 21 CYS H H 21 8.472 8.472 8.406 0.066 19557 753 1 19 . 1 1 22 22 THR HA H 22 4.280 4.280 4.253 0.027 19557 754 1 19 . 1 1 22 22 THR H H 22 7.885 7.885 8.117 -0.232 19557 755 1 19 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.478 -0.145 19557 756 1 19 . 1 1 24 24 ALA H H 24 8.028 8.028 7.502 0.526 19557 757 1 19 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.593 -0.237 19557 758 1 19 . 1 1 25 25 ARG H H 25 7.983 7.983 8.449 -0.466 19557 759 1 19 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.347 -0.060 19557 760 1 19 . 1 1 30 30 ALA H H 30 8.295 8.295 8.766 -0.471 19557 761 1 20 . 1 1 2 2 GLY H H 2 8.312 8.312 8.258 0.054 19557 762 1 20 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.390 0.315 19557 763 1 20 . 1 1 3 3 CYS H H 3 7.987 7.987 8.240 -0.253 19557 764 1 20 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.675 0.080 19557 765 1 20 . 1 1 4 4 ASP H H 4 9.311 9.311 8.142 1.169 19557 766 1 20 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.519 -0.064 19557 767 1 20 . 1 1 5 5 ASP H H 5 8.710 8.710 8.619 0.091 19557 768 1 20 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.132 0.477 19557 769 1 20 . 1 1 6 6 LYS H H 6 8.652 8.652 8.067 0.585 19557 770 1 20 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.527 -0.045 19557 771 1 20 . 1 1 7 7 CYS H H 7 7.698 7.698 7.682 0.016 19557 772 1 20 . 1 1 8 8 GLY H H 8 8.756 8.756 7.914 0.842 19557 773 1 20 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.662 -0.246 19557 774 1 20 . 1 1 9 9 CYS H H 9 8.516 8.516 7.310 1.206 19557 775 1 20 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.303 -0.159 19557 776 1 20 . 1 1 10 10 ALA H H 10 8.503 8.503 8.497 0.006 19557 777 1 20 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.337 -0.105 19557 778 1 20 . 1 1 11 11 VAL H H 11 7.998 7.998 8.251 -0.253 19557 779 1 20 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.506 0.240 19557 780 1 20 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.743 -0.185 19557 781 1 20 . 1 1 13 13 CYS H H 13 8.505 8.505 8.621 -0.116 19557 782 1 20 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.543 -0.002 19557 783 1 20 . 1 1 15 15 GLY H H 15 8.816 8.816 7.642 1.174 19557 784 1 20 . 1 1 16 16 GLY H H 16 8.392 8.392 8.656 -0.264 19557 785 1 20 . 1 1 17 17 THR HA H 17 4.285 4.285 4.339 -0.054 19557 786 1 20 . 1 1 18 18 GLY H H 18 8.328 8.328 8.740 -0.412 19557 787 1 20 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.782 -0.463 19557 788 1 20 . 1 1 19 19 CYS H H 19 7.270 7.270 7.689 -0.419 19557 789 1 20 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.403 -0.013 19557 790 1 20 . 1 1 20 20 ARG H H 20 8.235 8.235 7.953 0.282 19557 791 1 20 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.618 -0.192 19557 792 1 20 . 1 1 21 21 CYS H H 21 8.472 8.472 8.608 -0.136 19557 793 1 20 . 1 1 22 22 THR HA H 22 4.280 4.280 4.208 0.072 19557 794 1 20 . 1 1 22 22 THR H H 22 7.885 7.885 7.972 -0.087 19557 795 1 20 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.294 0.039 19557 796 1 20 . 1 1 24 24 ALA H H 24 8.028 8.028 7.338 0.690 19557 797 1 20 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.551 -0.195 19557 798 1 20 . 1 1 25 25 ARG H H 25 7.983 7.983 7.592 0.391 19557 799 1 20 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.685 -0.398 19557 800 1 20 . 1 1 30 30 ALA H H 30 8.295 8.295 7.727 0.568 19557 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 19557 2 1 1 "Average Difference" HA 29 0.311 0.007 0.317 19557 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19557 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19557 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19557 6 1 1 "Average Difference" HN 21 0.569 -0.180 0.553 19557 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19557 8 1 2 "Average Difference" HA 29 0.292 0.016 0.296 19557 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19557 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19557 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19557 12 1 2 "Average Difference" HN 21 0.537 -0.174 0.520 19557 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19557 14 1 3 "Average Difference" HA 29 0.271 -0.079 0.264 19557 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19557 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19557 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19557 18 1 3 "Average Difference" HN 21 0.572 -0.194 0.551 19557 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19557 20 1 4 "Average Difference" HA 29 0.307 -0.018 0.312 19557 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19557 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19557 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19557 24 1 4 "Average Difference" HN 21 0.573 -0.229 0.539 19557 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19557 26 1 5 "Average Difference" HA 29 0.299 -0.032 0.303 19557 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19557 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19557 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19557 30 1 5 "Average Difference" HN 21 0.582 -0.235 0.545 19557 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19557 32 1 6 "Average Difference" HA 29 0.286 -0.015 0.290 19557 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19557 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19557 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19557 36 1 6 "Average Difference" HN 21 0.557 -0.275 0.496 19557 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19557 38 1 7 "Average Difference" HA 29 0.287 -0.023 0.291 19557 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19557 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19557 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19557 42 1 7 "Average Difference" HN 21 0.602 -0.270 0.552 19557 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19557 44 1 8 "Average Difference" HA 29 0.258 -0.055 0.257 19557 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19557 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19557 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19557 48 1 8 "Average Difference" HN 21 0.526 -0.105 0.528 19557 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19557 50 1 9 "Average Difference" HA 29 0.313 0.048 0.315 19557 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19557 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19557 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19557 54 1 9 "Average Difference" HN 21 0.569 -0.273 0.511 19557 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19557 56 1 10 "Average Difference" HA 29 0.269 -0.002 0.274 19557 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19557 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19557 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19557 60 1 10 "Average Difference" HN 21 0.573 -0.234 0.536 19557 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19557 62 1 11 "Average Difference" HA 29 0.297 -0.037 0.300 19557 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19557 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19557 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19557 66 1 11 "Average Difference" HN 21 0.640 -0.203 0.622 19557 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19557 68 1 12 "Average Difference" HA 29 0.276 0.008 0.281 19557 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19557 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19557 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19557 72 1 12 "Average Difference" HN 21 0.583 -0.266 0.532 19557 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19557 74 1 13 "Average Difference" HA 29 0.272 -0.005 0.276 19557 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19557 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19557 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19557 78 1 13 "Average Difference" HN 21 0.550 -0.152 0.542 19557 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19557 80 1 14 "Average Difference" HA 29 0.311 -0.022 0.316 19557 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19557 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19557 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19557 84 1 14 "Average Difference" HN 21 0.522 -0.163 0.508 19557 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19557 86 1 15 "Average Difference" HA 29 0.296 -0.049 0.297 19557 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19557 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19557 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19557 90 1 15 "Average Difference" HN 21 0.583 -0.225 0.552 19557 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19557 92 1 16 "Average Difference" HA 29 0.291 0.032 0.295 19557 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19557 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19557 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19557 96 1 16 "Average Difference" HN 21 0.548 -0.150 0.540 19557 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19557 98 1 17 "Average Difference" HA 29 0.300 -0.015 0.305 19557 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19557 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19557 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19557 102 1 17 "Average Difference" HN 21 0.580 -0.167 0.569 19557 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19557 104 1 18 "Average Difference" HA 29 0.281 -0.038 0.283 19557 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19557 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19557 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19557 108 1 18 "Average Difference" HN 21 0.611 -0.205 0.590 19557 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19557 110 1 19 "Average Difference" HA 29 0.282 -0.016 0.287 19557 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19557 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19557 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19557 114 1 19 "Average Difference" HN 21 0.520 -0.155 0.508 19557 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19557 116 1 20 "Average Difference" HA 29 0.320 -0.079 0.315 19557 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19557 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19557 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19557 120 1 20 "Average Difference" HN 21 0.572 -0.244 0.530 19557 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 19557 _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 8.312 8.312 8.177 0.135 19557 2 1 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.684 0.021 19557 3 1 . 1 1 3 3 CYS H H 3 7.987 7.987 8.295 -0.308 19557 4 1 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.750 0.005 19557 5 1 . 1 1 4 4 ASP H H 4 9.311 9.311 8.148 1.163 19557 6 1 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.452 0.003 19557 7 1 . 1 1 5 5 ASP H H 5 8.710 8.710 8.591 0.119 19557 8 1 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.232 0.377 19557 9 1 . 1 1 6 6 LYS H H 6 8.652 8.652 8.363 0.289 19557 10 1 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.469 0.014 19557 11 1 . 1 1 7 7 CYS H H 7 7.698 7.698 7.743 -0.045 19557 12 1 . 1 1 8 8 GLY H H 8 8.756 8.756 7.783 0.973 19557 13 1 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.669 -0.253 19557 14 1 . 1 1 9 9 CYS H H 9 8.516 8.516 7.408 1.108 19557 15 1 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.336 -0.192 19557 16 1 . 1 1 10 10 ALA H H 10 8.503 8.503 8.225 0.278 19557 17 1 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.380 -0.148 19557 18 1 . 1 1 11 11 VAL H H 11 7.998 7.998 8.242 -0.244 19557 19 1 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.496 0.250 19557 20 1 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.680 -0.122 19557 21 1 . 1 1 13 13 CYS H H 13 8.505 8.505 8.534 -0.029 19557 22 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.036 19557 23 1 . 1 1 15 15 GLY H H 15 8.816 8.816 7.889 0.927 19557 24 1 . 1 1 16 16 GLY H H 16 8.392 8.392 7.950 0.442 19557 25 1 . 1 1 17 17 THR HA H 17 4.285 4.285 4.133 0.152 19557 26 1 . 1 1 18 18 GLY H H 18 8.328 8.328 8.064 0.264 19557 27 1 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.830 -0.511 19557 28 1 . 1 1 19 19 CYS H H 19 7.270 7.270 7.788 -0.518 19557 29 1 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.317 0.073 19557 30 1 . 1 1 20 20 ARG H H 20 8.235 8.235 8.332 -0.097 19557 31 1 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.737 -0.311 19557 32 1 . 1 1 21 21 CYS H H 21 8.472 8.472 8.489 -0.017 19557 33 1 . 1 1 22 22 THR HA H 22 4.280 4.280 4.320 -0.040 19557 34 1 . 1 1 22 22 THR H H 22 7.885 7.885 7.954 -0.069 19557 35 1 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.427 -0.094 19557 36 1 . 1 1 24 24 ALA H H 24 8.028 8.028 7.745 0.283 19557 37 1 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.389 -0.033 19557 38 1 . 1 1 25 25 ARG H H 25 7.983 7.983 8.410 -0.427 19557 39 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.471 -0.184 19557 40 1 . 1 1 30 30 ALA H H 30 8.295 8.295 8.217 0.078 19557 stop_ save_