data_17731 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17731 _Entry.PDB_ID 2LEW 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 17731 _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 LEU HA H 2 4.355 4.355 3.947 0.408 17731 2 1 1 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.639 -0.233 17731 3 1 1 . 1 1 3 3 LEU H H 3 8.341 8.341 8.065 0.276 17731 4 1 1 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.371 0.725 17731 5 1 1 . 1 1 4 4 CYS H H 4 7.946 7.946 7.636 0.310 17731 6 1 1 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.968 -0.132 17731 7 1 1 . 1 1 5 5 TYR H H 5 8.663 8.663 8.157 0.506 17731 8 1 1 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.665 0.116 17731 9 1 1 . 1 1 6 6 CYS H H 6 8.942 8.942 9.169 -0.227 17731 10 1 1 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.729 0.009 17731 11 1 1 . 1 1 7 7 ARG H H 7 9.828 9.828 9.311 0.517 17731 12 1 1 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.488 0.394 17731 13 1 1 . 1 1 8 8 LYS H H 8 8.639 8.639 8.662 -0.023 17731 14 1 1 . 1 1 9 9 GLY H H 9 8.781 8.781 8.714 0.067 17731 15 1 1 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.716 -0.171 17731 16 1 1 . 1 1 10 10 HIS H H 10 8.076 8.076 7.871 0.205 17731 17 1 1 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.449 0.393 17731 18 1 1 . 1 1 11 11 CYS H H 11 8.854 8.854 8.481 0.373 17731 19 1 1 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.317 0.023 17731 20 1 1 . 1 1 12 12 LYS H H 12 7.967 7.967 8.410 -0.443 17731 21 1 1 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.973 0.075 17731 22 1 1 . 1 1 13 13 ARG H H 13 8.470 8.470 8.905 -0.435 17731 23 1 1 . 1 1 15 15 GLY H H 15 8.385 8.385 8.351 0.034 17731 24 1 1 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.603 0.098 17731 25 1 1 . 1 1 16 16 ARG H H 16 8.855 8.855 8.164 0.691 17731 26 1 1 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.839 0.226 17731 27 1 1 . 1 1 17 17 VAL H H 17 8.749 8.749 7.972 0.777 17731 28 1 1 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.412 0.288 17731 29 1 1 . 1 1 18 18 ARG H H 18 9.500 9.500 9.081 0.419 17731 30 1 1 . 1 1 19 19 GLY H H 19 7.821 7.821 7.820 0.001 17731 31 1 1 . 1 1 20 20 THR HA H 20 5.065 5.065 4.475 0.590 17731 32 1 1 . 1 1 20 20 THR H H 20 8.608 8.608 8.267 0.341 17731 33 1 1 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.517 0.357 17731 34 1 1 . 1 1 21 21 CYS H H 21 8.159 8.159 8.710 -0.551 17731 35 1 1 . 1 1 22 22 GLY H H 22 8.319 8.319 7.647 0.672 17731 36 1 1 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.448 -0.420 17731 37 1 1 . 1 1 23 23 ILE H H 23 8.145 8.145 8.286 -0.141 17731 38 1 1 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.974 0.017 17731 39 1 1 . 1 1 24 24 ARG H H 24 8.457 8.457 9.024 -0.568 17731 40 1 1 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.121 -0.217 17731 41 1 1 . 1 1 25 25 PHE H H 25 7.854 7.854 7.652 0.202 17731 42 1 1 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.761 -0.126 17731 43 1 1 . 1 1 26 26 LEU H H 26 8.983 8.983 9.454 -0.471 17731 44 1 1 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.256 -0.297 17731 45 1 1 . 1 1 27 27 TYR H H 27 8.222 8.222 9.230 -1.008 17731 46 1 1 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.899 0.080 17731 47 1 1 . 1 1 28 28 CYS H H 28 8.768 8.768 8.534 0.234 17731 48 1 1 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.560 0.499 17731 49 1 1 . 1 1 29 29 CYS H H 29 8.878 8.878 8.662 0.216 17731 50 1 1 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.426 0.290 17731 51 1 1 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.347 -0.244 17731 52 1 1 . 1 1 31 31 ARG H H 31 8.429 8.429 8.253 0.176 17731 53 1 2 . 1 1 2 2 LEU HA H 2 4.355 4.355 3.909 0.446 17731 54 1 2 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.287 0.119 17731 55 1 2 . 1 1 3 3 LEU H H 3 8.341 8.341 7.864 0.477 17731 56 1 2 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.052 1.044 17731 57 1 2 . 1 1 4 4 CYS H H 4 7.946 7.946 8.216 -0.270 17731 58 1 2 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.981 -0.145 17731 59 1 2 . 1 1 5 5 TYR H H 5 8.663 8.663 8.486 0.177 17731 60 1 2 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.278 0.503 17731 61 1 2 . 1 1 6 6 CYS H H 6 8.942 8.942 9.162 -0.220 17731 62 1 2 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.812 -0.074 17731 63 1 2 . 1 1 7 7 ARG H H 7 9.828 9.828 9.493 0.335 17731 64 1 2 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.085 0.797 17731 65 1 2 . 1 1 8 8 LYS H H 8 8.639 8.639 8.794 -0.155 17731 66 1 2 . 1 1 9 9 GLY H H 9 8.781 8.781 8.532 0.249 17731 67 1 2 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.672 -0.127 17731 68 1 2 . 1 1 10 10 HIS H H 10 8.076 8.076 8.134 -0.058 17731 69 1 2 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.353 0.489 17731 70 1 2 . 1 1 11 11 CYS H H 11 8.854 8.854 8.774 0.080 17731 71 1 2 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.358 -0.018 17731 72 1 2 . 1 1 12 12 LYS H H 12 7.967 7.967 8.602 -0.635 17731 73 1 2 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.994 0.054 17731 74 1 2 . 1 1 13 13 ARG H H 13 8.470 8.470 8.911 -0.441 17731 75 1 2 . 1 1 15 15 GLY H H 15 8.385 8.385 7.615 0.770 17731 76 1 2 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.732 -0.031 17731 77 1 2 . 1 1 16 16 ARG H H 16 8.855 8.855 8.740 0.115 17731 78 1 2 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.938 0.127 17731 79 1 2 . 1 1 17 17 VAL H H 17 8.749 8.749 8.775 -0.026 17731 80 1 2 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.418 0.282 17731 81 1 2 . 1 1 18 18 ARG H H 18 9.500 9.500 9.229 0.271 17731 82 1 2 . 1 1 19 19 GLY H H 19 7.821 7.821 7.850 -0.029 17731 83 1 2 . 1 1 20 20 THR HA H 20 5.065 5.065 4.709 0.356 17731 84 1 2 . 1 1 20 20 THR H H 20 8.608 8.608 8.206 0.402 17731 85 1 2 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.656 0.218 17731 86 1 2 . 1 1 21 21 CYS H H 21 8.159 8.159 8.767 -0.608 17731 87 1 2 . 1 1 22 22 GLY H H 22 8.319 8.319 7.351 0.968 17731 88 1 2 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.229 -0.201 17731 89 1 2 . 1 1 23 23 ILE H H 23 8.145 8.145 8.305 -0.160 17731 90 1 2 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.975 0.016 17731 91 1 2 . 1 1 24 24 ARG H H 24 8.457 8.457 9.110 -0.653 17731 92 1 2 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.855 0.049 17731 93 1 2 . 1 1 25 25 PHE H H 25 7.854 7.854 7.707 0.147 17731 94 1 2 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.955 -0.320 17731 95 1 2 . 1 1 26 26 LEU H H 26 8.983 8.983 9.327 -0.344 17731 96 1 2 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.099 -0.140 17731 97 1 2 . 1 1 27 27 TYR H H 27 8.222 8.222 9.229 -1.007 17731 98 1 2 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.002 -0.023 17731 99 1 2 . 1 1 28 28 CYS H H 28 8.768 8.768 8.702 0.066 17731 100 1 2 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.722 0.337 17731 101 1 2 . 1 1 29 29 CYS H H 29 8.878 8.878 8.922 -0.044 17731 102 1 2 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.902 -0.186 17731 103 1 2 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.504 -0.401 17731 104 1 2 . 1 1 31 31 ARG H H 31 8.429 8.429 8.510 -0.081 17731 105 1 3 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.457 -0.102 17731 106 1 3 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.775 -0.369 17731 107 1 3 . 1 1 3 3 LEU H H 3 8.341 8.341 7.638 0.703 17731 108 1 3 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.322 0.774 17731 109 1 3 . 1 1 4 4 CYS H H 4 7.946 7.946 7.891 0.055 17731 110 1 3 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.043 -0.207 17731 111 1 3 . 1 1 5 5 TYR H H 5 8.663 8.663 8.678 -0.015 17731 112 1 3 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.511 0.270 17731 113 1 3 . 1 1 6 6 CYS H H 6 8.942 8.942 9.159 -0.217 17731 114 1 3 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.700 0.038 17731 115 1 3 . 1 1 7 7 ARG H H 7 9.828 9.828 9.362 0.466 17731 116 1 3 . 1 1 8 8 LYS HA H 8 3.882 3.882 2.989 0.893 17731 117 1 3 . 1 1 8 8 LYS H H 8 8.639 8.639 8.632 0.007 17731 118 1 3 . 1 1 9 9 GLY H H 9 8.781 8.781 8.751 0.030 17731 119 1 3 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.773 -0.228 17731 120 1 3 . 1 1 10 10 HIS H H 10 8.076 8.076 7.979 0.097 17731 121 1 3 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.452 0.390 17731 122 1 3 . 1 1 11 11 CYS H H 11 8.854 8.854 8.962 -0.108 17731 123 1 3 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.066 0.274 17731 124 1 3 . 1 1 12 12 LYS H H 12 7.967 7.967 8.235 -0.268 17731 125 1 3 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.011 0.037 17731 126 1 3 . 1 1 13 13 ARG H H 13 8.470 8.470 9.046 -0.576 17731 127 1 3 . 1 1 15 15 GLY H H 15 8.385 8.385 8.079 0.306 17731 128 1 3 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.524 0.177 17731 129 1 3 . 1 1 16 16 ARG H H 16 8.855 8.855 8.021 0.834 17731 130 1 3 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.769 0.296 17731 131 1 3 . 1 1 17 17 VAL H H 17 8.749 8.749 8.760 -0.011 17731 132 1 3 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.242 0.458 17731 133 1 3 . 1 1 18 18 ARG H H 18 9.500 9.500 9.070 0.430 17731 134 1 3 . 1 1 19 19 GLY H H 19 7.821 7.821 7.849 -0.028 17731 135 1 3 . 1 1 20 20 THR HA H 20 5.065 5.065 4.524 0.541 17731 136 1 3 . 1 1 20 20 THR H H 20 8.608 8.608 8.177 0.431 17731 137 1 3 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.707 0.167 17731 138 1 3 . 1 1 21 21 CYS H H 21 8.159 8.159 8.800 -0.641 17731 139 1 3 . 1 1 22 22 GLY H H 22 8.319 8.319 7.751 0.568 17731 140 1 3 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.229 -0.201 17731 141 1 3 . 1 1 23 23 ILE H H 23 8.145 8.145 8.398 -0.253 17731 142 1 3 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.069 -0.078 17731 143 1 3 . 1 1 24 24 ARG H H 24 8.457 8.457 8.853 -0.396 17731 144 1 3 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.220 -0.316 17731 145 1 3 . 1 1 25 25 PHE H H 25 7.854 7.854 7.740 0.114 17731 146 1 3 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.852 -0.217 17731 147 1 3 . 1 1 26 26 LEU H H 26 8.983 8.983 9.453 -0.470 17731 148 1 3 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.267 -0.308 17731 149 1 3 . 1 1 27 27 TYR H H 27 8.222 8.222 9.103 -0.881 17731 150 1 3 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.043 -0.064 17731 151 1 3 . 1 1 28 28 CYS H H 28 8.768 8.768 8.750 0.018 17731 152 1 3 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.511 0.548 17731 153 1 3 . 1 1 29 29 CYS H H 29 8.878 8.878 8.955 -0.077 17731 154 1 3 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.481 0.235 17731 155 1 3 . 1 1 31 31 ARG HA H 31 4.103 4.103 3.994 0.109 17731 156 1 3 . 1 1 31 31 ARG H H 31 8.429 8.429 8.457 -0.028 17731 157 1 4 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.344 0.011 17731 158 1 4 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.310 0.096 17731 159 1 4 . 1 1 3 3 LEU H H 3 8.341 8.341 8.085 0.256 17731 160 1 4 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.125 0.971 17731 161 1 4 . 1 1 4 4 CYS H H 4 7.946 7.946 7.847 0.099 17731 162 1 4 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.938 -0.102 17731 163 1 4 . 1 1 5 5 TYR H H 5 8.663 8.663 8.466 0.197 17731 164 1 4 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.485 0.296 17731 165 1 4 . 1 1 6 6 CYS H H 6 8.942 8.942 9.128 -0.186 17731 166 1 4 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.775 -0.037 17731 167 1 4 . 1 1 7 7 ARG H H 7 9.828 9.828 9.443 0.385 17731 168 1 4 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.783 0.099 17731 169 1 4 . 1 1 8 8 LYS H H 8 8.639 8.639 8.682 -0.043 17731 170 1 4 . 1 1 9 9 GLY H H 9 8.781 8.781 7.794 0.987 17731 171 1 4 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.678 -0.133 17731 172 1 4 . 1 1 10 10 HIS H H 10 8.076 8.076 8.736 -0.660 17731 173 1 4 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.336 0.506 17731 174 1 4 . 1 1 11 11 CYS H H 11 8.854 8.854 8.259 0.595 17731 175 1 4 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.419 -0.079 17731 176 1 4 . 1 1 12 12 LYS H H 12 7.967 7.967 8.471 -0.504 17731 177 1 4 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.792 0.256 17731 178 1 4 . 1 1 13 13 ARG H H 13 8.470 8.470 8.332 0.138 17731 179 1 4 . 1 1 15 15 GLY H H 15 8.385 8.385 7.893 0.492 17731 180 1 4 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.666 0.035 17731 181 1 4 . 1 1 16 16 ARG H H 16 8.855 8.855 8.569 0.286 17731 182 1 4 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.943 0.122 17731 183 1 4 . 1 1 17 17 VAL H H 17 8.749 8.749 8.696 0.053 17731 184 1 4 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.368 0.332 17731 185 1 4 . 1 1 18 18 ARG H H 18 9.500 9.500 9.162 0.338 17731 186 1 4 . 1 1 19 19 GLY H H 19 7.821 7.821 7.913 -0.092 17731 187 1 4 . 1 1 20 20 THR HA H 20 5.065 5.065 4.697 0.368 17731 188 1 4 . 1 1 20 20 THR H H 20 8.608 8.608 8.248 0.360 17731 189 1 4 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.577 0.297 17731 190 1 4 . 1 1 21 21 CYS H H 21 8.159 8.159 8.716 -0.557 17731 191 1 4 . 1 1 22 22 GLY H H 22 8.319 8.319 7.610 0.709 17731 192 1 4 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.337 -0.309 17731 193 1 4 . 1 1 23 23 ILE H H 23 8.145 8.145 8.263 -0.118 17731 194 1 4 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.010 -0.019 17731 195 1 4 . 1 1 24 24 ARG H H 24 8.457 8.457 8.944 -0.487 17731 196 1 4 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.765 0.139 17731 197 1 4 . 1 1 25 25 PHE H H 25 7.854 7.854 7.721 0.133 17731 198 1 4 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.790 -0.155 17731 199 1 4 . 1 1 26 26 LEU H H 26 8.983 8.983 9.250 -0.267 17731 200 1 4 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.188 -0.229 17731 201 1 4 . 1 1 27 27 TYR H H 27 8.222 8.222 8.990 -0.768 17731 202 1 4 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.019 -0.040 17731 203 1 4 . 1 1 28 28 CYS H H 28 8.768 8.768 8.705 0.063 17731 204 1 4 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.517 0.542 17731 205 1 4 . 1 1 29 29 CYS H H 29 8.878 8.878 8.954 -0.076 17731 206 1 4 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.452 0.264 17731 207 1 4 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.414 -0.311 17731 208 1 4 . 1 1 31 31 ARG H H 31 8.429 8.429 7.748 0.681 17731 209 1 5 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.611 -0.256 17731 210 1 5 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.446 -0.040 17731 211 1 5 . 1 1 3 3 LEU H H 3 8.341 8.341 8.048 0.293 17731 212 1 5 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.091 1.005 17731 213 1 5 . 1 1 4 4 CYS H H 4 7.946 7.946 8.701 -0.755 17731 214 1 5 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.952 -0.116 17731 215 1 5 . 1 1 5 5 TYR H H 5 8.663 8.663 8.468 0.195 17731 216 1 5 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.194 0.587 17731 217 1 5 . 1 1 6 6 CYS H H 6 8.942 8.942 9.149 -0.207 17731 218 1 5 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.796 -0.058 17731 219 1 5 . 1 1 7 7 ARG H H 7 9.828 9.828 9.412 0.416 17731 220 1 5 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.671 0.211 17731 221 1 5 . 1 1 8 8 LYS H H 8 8.639 8.639 8.717 -0.078 17731 222 1 5 . 1 1 9 9 GLY H H 9 8.781 8.781 7.580 1.201 17731 223 1 5 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.666 -0.121 17731 224 1 5 . 1 1 10 10 HIS H H 10 8.076 8.076 8.792 -0.716 17731 225 1 5 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.209 0.633 17731 226 1 5 . 1 1 11 11 CYS H H 11 8.854 8.854 8.876 -0.022 17731 227 1 5 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.158 0.182 17731 228 1 5 . 1 1 12 12 LYS H H 12 7.967 7.967 8.764 -0.797 17731 229 1 5 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.518 0.530 17731 230 1 5 . 1 1 13 13 ARG H H 13 8.470 8.470 8.271 0.199 17731 231 1 5 . 1 1 15 15 GLY H H 15 8.385 8.385 8.098 0.287 17731 232 1 5 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.543 0.158 17731 233 1 5 . 1 1 16 16 ARG H H 16 8.855 8.855 8.046 0.809 17731 234 1 5 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.986 0.079 17731 235 1 5 . 1 1 17 17 VAL H H 17 8.749 8.749 7.765 0.984 17731 236 1 5 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.621 0.079 17731 237 1 5 . 1 1 18 18 ARG H H 18 9.500 9.500 9.105 0.395 17731 238 1 5 . 1 1 19 19 GLY H H 19 7.821 7.821 7.710 0.111 17731 239 1 5 . 1 1 20 20 THR HA H 20 5.065 5.065 4.592 0.473 17731 240 1 5 . 1 1 20 20 THR H H 20 8.608 8.608 8.206 0.402 17731 241 1 5 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.658 0.216 17731 242 1 5 . 1 1 21 21 CYS H H 21 8.159 8.159 8.820 -0.661 17731 243 1 5 . 1 1 22 22 GLY H H 22 8.319 8.319 7.778 0.541 17731 244 1 5 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.205 -0.177 17731 245 1 5 . 1 1 23 23 ILE H H 23 8.145 8.145 8.349 -0.204 17731 246 1 5 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.061 -0.070 17731 247 1 5 . 1 1 24 24 ARG H H 24 8.457 8.457 8.818 -0.361 17731 248 1 5 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.865 0.039 17731 249 1 5 . 1 1 25 25 PHE H H 25 7.854 7.854 7.714 0.140 17731 250 1 5 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.750 -0.115 17731 251 1 5 . 1 1 26 26 LEU H H 26 8.983 8.983 9.429 -0.446 17731 252 1 5 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.862 0.097 17731 253 1 5 . 1 1 27 27 TYR H H 27 8.222 8.222 9.208 -0.986 17731 254 1 5 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.886 0.093 17731 255 1 5 . 1 1 28 28 CYS H H 28 8.768 8.768 8.591 0.177 17731 256 1 5 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.375 0.684 17731 257 1 5 . 1 1 29 29 CYS H H 29 8.878 8.878 8.413 0.465 17731 258 1 5 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.338 0.378 17731 259 1 5 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.313 -0.210 17731 260 1 5 . 1 1 31 31 ARG H H 31 8.429 8.429 8.348 0.081 17731 261 1 6 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.336 0.019 17731 262 1 6 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.228 0.178 17731 263 1 6 . 1 1 3 3 LEU H H 3 8.341 8.341 7.723 0.618 17731 264 1 6 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.056 1.040 17731 265 1 6 . 1 1 4 4 CYS H H 4 7.946 7.946 8.577 -0.631 17731 266 1 6 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.053 -0.217 17731 267 1 6 . 1 1 5 5 TYR H H 5 8.663 8.663 8.746 -0.083 17731 268 1 6 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.040 0.741 17731 269 1 6 . 1 1 6 6 CYS H H 6 8.942 8.942 9.139 -0.197 17731 270 1 6 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.698 0.040 17731 271 1 6 . 1 1 7 7 ARG H H 7 9.828 9.828 9.283 0.545 17731 272 1 6 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.203 0.679 17731 273 1 6 . 1 1 8 8 LYS H H 8 8.639 8.639 8.660 -0.021 17731 274 1 6 . 1 1 9 9 GLY H H 9 8.781 8.781 8.142 0.639 17731 275 1 6 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.512 0.033 17731 276 1 6 . 1 1 10 10 HIS H H 10 8.076 8.076 8.162 -0.086 17731 277 1 6 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.310 0.532 17731 278 1 6 . 1 1 11 11 CYS H H 11 8.854 8.854 8.705 0.149 17731 279 1 6 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.507 -0.167 17731 280 1 6 . 1 1 12 12 LYS H H 12 7.967 7.967 8.532 -0.565 17731 281 1 6 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.960 0.088 17731 282 1 6 . 1 1 13 13 ARG H H 13 8.470 8.470 9.268 -0.798 17731 283 1 6 . 1 1 15 15 GLY H H 15 8.385 8.385 8.284 0.101 17731 284 1 6 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.529 0.172 17731 285 1 6 . 1 1 16 16 ARG H H 16 8.855 8.855 7.985 0.870 17731 286 1 6 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.031 0.034 17731 287 1 6 . 1 1 17 17 VAL H H 17 8.749 8.749 8.566 0.183 17731 288 1 6 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.425 0.275 17731 289 1 6 . 1 1 18 18 ARG H H 18 9.500 9.500 9.233 0.267 17731 290 1 6 . 1 1 19 19 GLY H H 19 7.821 7.821 7.981 -0.160 17731 291 1 6 . 1 1 20 20 THR HA H 20 5.065 5.065 4.504 0.561 17731 292 1 6 . 1 1 20 20 THR H H 20 8.608 8.608 8.130 0.478 17731 293 1 6 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.780 0.094 17731 294 1 6 . 1 1 21 21 CYS H H 21 8.159 8.159 8.718 -0.559 17731 295 1 6 . 1 1 22 22 GLY H H 22 8.319 8.319 7.919 0.400 17731 296 1 6 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.439 -0.411 17731 297 1 6 . 1 1 23 23 ILE H H 23 8.145 8.145 8.313 -0.168 17731 298 1 6 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.067 -0.076 17731 299 1 6 . 1 1 24 24 ARG H H 24 8.457 8.457 9.035 -0.578 17731 300 1 6 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.153 -0.249 17731 301 1 6 . 1 1 25 25 PHE H H 25 7.854 7.854 7.635 0.219 17731 302 1 6 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.908 -0.273 17731 303 1 6 . 1 1 26 26 LEU H H 26 8.983 8.983 9.450 -0.467 17731 304 1 6 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.796 0.163 17731 305 1 6 . 1 1 27 27 TYR H H 27 8.222 8.222 8.899 -0.677 17731 306 1 6 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.796 0.183 17731 307 1 6 . 1 1 28 28 CYS H H 28 8.768 8.768 8.767 0.001 17731 308 1 6 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.511 0.548 17731 309 1 6 . 1 1 29 29 CYS H H 29 8.878 8.878 8.406 0.472 17731 310 1 6 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.406 0.310 17731 311 1 6 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.354 -0.251 17731 312 1 6 . 1 1 31 31 ARG H H 31 8.429 8.429 7.976 0.453 17731 313 1 7 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.546 -0.191 17731 314 1 7 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.490 -0.084 17731 315 1 7 . 1 1 3 3 LEU H H 3 8.341 8.341 8.135 0.206 17731 316 1 7 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.144 0.952 17731 317 1 7 . 1 1 4 4 CYS H H 4 7.946 7.946 7.629 0.317 17731 318 1 7 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.068 -0.232 17731 319 1 7 . 1 1 5 5 TYR H H 5 8.663 8.663 8.691 -0.028 17731 320 1 7 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.631 0.150 17731 321 1 7 . 1 1 6 6 CYS H H 6 8.942 8.942 9.046 -0.104 17731 322 1 7 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.710 0.028 17731 323 1 7 . 1 1 7 7 ARG H H 7 9.828 9.828 9.126 0.702 17731 324 1 7 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.748 0.134 17731 325 1 7 . 1 1 8 8 LYS H H 8 8.639 8.639 8.581 0.058 17731 326 1 7 . 1 1 9 9 GLY H H 9 8.781 8.781 8.118 0.663 17731 327 1 7 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.578 -0.033 17731 328 1 7 . 1 1 10 10 HIS H H 10 8.076 8.076 7.936 0.140 17731 329 1 7 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.436 0.406 17731 330 1 7 . 1 1 11 11 CYS H H 11 8.854 8.854 8.003 0.851 17731 331 1 7 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.555 -0.215 17731 332 1 7 . 1 1 12 12 LYS H H 12 7.967 7.967 8.662 -0.695 17731 333 1 7 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.992 0.056 17731 334 1 7 . 1 1 13 13 ARG H H 13 8.470 8.470 8.957 -0.487 17731 335 1 7 . 1 1 15 15 GLY H H 15 8.385 8.385 7.590 0.795 17731 336 1 7 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.753 -0.052 17731 337 1 7 . 1 1 16 16 ARG H H 16 8.855 8.855 8.749 0.106 17731 338 1 7 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.137 -0.072 17731 339 1 7 . 1 1 17 17 VAL H H 17 8.749 8.749 8.665 0.084 17731 340 1 7 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.716 -0.016 17731 341 1 7 . 1 1 18 18 ARG H H 18 9.500 9.500 9.028 0.472 17731 342 1 7 . 1 1 19 19 GLY H H 19 7.821 7.821 7.945 -0.124 17731 343 1 7 . 1 1 20 20 THR HA H 20 5.065 5.065 4.981 0.084 17731 344 1 7 . 1 1 20 20 THR H H 20 8.608 8.608 8.178 0.430 17731 345 1 7 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.563 0.311 17731 346 1 7 . 1 1 21 21 CYS H H 21 8.159 8.159 8.675 -0.516 17731 347 1 7 . 1 1 22 22 GLY H H 22 8.319 8.319 7.318 1.001 17731 348 1 7 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.255 -0.227 17731 349 1 7 . 1 1 23 23 ILE H H 23 8.145 8.145 8.324 -0.179 17731 350 1 7 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.015 -0.024 17731 351 1 7 . 1 1 24 24 ARG H H 24 8.457 8.457 9.130 -0.673 17731 352 1 7 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.754 0.150 17731 353 1 7 . 1 1 25 25 PHE H H 25 7.854 7.854 7.712 0.142 17731 354 1 7 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.622 0.013 17731 355 1 7 . 1 1 26 26 LEU H H 26 8.983 8.983 8.991 -0.008 17731 356 1 7 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.924 0.035 17731 357 1 7 . 1 1 27 27 TYR H H 27 8.222 8.222 9.036 -0.814 17731 358 1 7 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.053 -0.074 17731 359 1 7 . 1 1 28 28 CYS H H 28 8.768 8.768 8.450 0.318 17731 360 1 7 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.435 0.624 17731 361 1 7 . 1 1 29 29 CYS H H 29 8.878 8.878 9.012 -0.134 17731 362 1 7 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.274 0.442 17731 363 1 7 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.459 -0.356 17731 364 1 7 . 1 1 31 31 ARG H H 31 8.429 8.429 8.051 0.378 17731 365 1 8 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.736 -0.381 17731 366 1 8 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.403 0.003 17731 367 1 8 . 1 1 3 3 LEU H H 3 8.341 8.341 8.047 0.294 17731 368 1 8 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.250 0.846 17731 369 1 8 . 1 1 4 4 CYS H H 4 7.946 7.946 8.692 -0.746 17731 370 1 8 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.158 -0.322 17731 371 1 8 . 1 1 5 5 TYR H H 5 8.663 8.663 8.473 0.190 17731 372 1 8 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.682 0.099 17731 373 1 8 . 1 1 6 6 CYS H H 6 8.942 8.942 9.115 -0.173 17731 374 1 8 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.876 -0.138 17731 375 1 8 . 1 1 7 7 ARG H H 7 9.828 9.828 9.228 0.600 17731 376 1 8 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.746 0.136 17731 377 1 8 . 1 1 8 8 LYS H H 8 8.639 8.639 8.332 0.307 17731 378 1 8 . 1 1 9 9 GLY H H 9 8.781 8.781 7.481 1.300 17731 379 1 8 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.466 0.079 17731 380 1 8 . 1 1 10 10 HIS H H 10 8.076 8.076 8.691 -0.615 17731 381 1 8 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.211 0.631 17731 382 1 8 . 1 1 11 11 CYS H H 11 8.854 8.854 8.273 0.581 17731 383 1 8 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.469 -0.129 17731 384 1 8 . 1 1 12 12 LYS H H 12 7.967 7.967 8.542 -0.575 17731 385 1 8 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.942 0.106 17731 386 1 8 . 1 1 13 13 ARG H H 13 8.470 8.470 8.920 -0.450 17731 387 1 8 . 1 1 15 15 GLY H H 15 8.385 8.385 8.203 0.182 17731 388 1 8 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.530 0.171 17731 389 1 8 . 1 1 16 16 ARG H H 16 8.855 8.855 7.992 0.863 17731 390 1 8 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.015 0.050 17731 391 1 8 . 1 1 17 17 VAL H H 17 8.749 8.749 7.983 0.766 17731 392 1 8 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.621 0.079 17731 393 1 8 . 1 1 18 18 ARG H H 18 9.500 9.500 9.222 0.278 17731 394 1 8 . 1 1 19 19 GLY H H 19 7.821 7.821 7.870 -0.049 17731 395 1 8 . 1 1 20 20 THR HA H 20 5.065 5.065 5.147 -0.082 17731 396 1 8 . 1 1 20 20 THR H H 20 8.608 8.608 8.144 0.464 17731 397 1 8 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.620 0.254 17731 398 1 8 . 1 1 21 21 CYS H H 21 8.159 8.159 9.039 -0.880 17731 399 1 8 . 1 1 22 22 GLY H H 22 8.319 8.319 7.953 0.366 17731 400 1 8 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.456 -0.428 17731 401 1 8 . 1 1 23 23 ILE H H 23 8.145 8.145 7.976 0.169 17731 402 1 8 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.450 -0.459 17731 403 1 8 . 1 1 24 24 ARG H H 24 8.457 8.457 8.759 -0.302 17731 404 1 8 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.712 0.192 17731 405 1 8 . 1 1 25 25 PHE H H 25 7.854 7.854 8.501 -0.647 17731 406 1 8 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.734 -0.099 17731 407 1 8 . 1 1 26 26 LEU H H 26 8.983 8.983 9.216 -0.233 17731 408 1 8 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.858 0.101 17731 409 1 8 . 1 1 27 27 TYR H H 27 8.222 8.222 9.067 -0.845 17731 410 1 8 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.171 -0.192 17731 411 1 8 . 1 1 28 28 CYS H H 28 8.768 8.768 8.722 0.046 17731 412 1 8 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.466 0.593 17731 413 1 8 . 1 1 29 29 CYS H H 29 8.878 8.878 8.393 0.485 17731 414 1 8 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.383 0.333 17731 415 1 8 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.408 -0.305 17731 416 1 8 . 1 1 31 31 ARG H H 31 8.429 8.429 7.725 0.704 17731 417 1 9 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.377 -0.022 17731 418 1 9 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.364 0.042 17731 419 1 9 . 1 1 3 3 LEU H H 3 8.341 8.341 7.664 0.677 17731 420 1 9 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.163 0.933 17731 421 1 9 . 1 1 4 4 CYS H H 4 7.946 7.946 8.739 -0.793 17731 422 1 9 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.130 -0.294 17731 423 1 9 . 1 1 5 5 TYR H H 5 8.663 8.663 8.621 0.042 17731 424 1 9 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.728 0.053 17731 425 1 9 . 1 1 6 6 CYS H H 6 8.942 8.942 9.038 -0.096 17731 426 1 9 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.724 0.014 17731 427 1 9 . 1 1 7 7 ARG H H 7 9.828 9.828 9.252 0.576 17731 428 1 9 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.295 0.587 17731 429 1 9 . 1 1 8 8 LYS H H 8 8.639 8.639 8.513 0.126 17731 430 1 9 . 1 1 9 9 GLY H H 9 8.781 8.781 7.755 1.026 17731 431 1 9 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.451 0.094 17731 432 1 9 . 1 1 10 10 HIS H H 10 8.076 8.076 8.671 -0.595 17731 433 1 9 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.234 0.608 17731 434 1 9 . 1 1 11 11 CYS H H 11 8.854 8.854 8.318 0.536 17731 435 1 9 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.500 -0.160 17731 436 1 9 . 1 1 12 12 LYS H H 12 7.967 7.967 8.753 -0.786 17731 437 1 9 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.002 0.046 17731 438 1 9 . 1 1 13 13 ARG H H 13 8.470 8.470 9.048 -0.578 17731 439 1 9 . 1 1 15 15 GLY H H 15 8.385 8.385 7.752 0.633 17731 440 1 9 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.642 0.059 17731 441 1 9 . 1 1 16 16 ARG H H 16 8.855 8.855 7.988 0.867 17731 442 1 9 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.277 -0.212 17731 443 1 9 . 1 1 17 17 VAL H H 17 8.749 8.749 8.284 0.465 17731 444 1 9 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.799 -0.099 17731 445 1 9 . 1 1 18 18 ARG H H 18 9.500 9.500 8.864 0.636 17731 446 1 9 . 1 1 19 19 GLY H H 19 7.821 7.821 7.811 0.010 17731 447 1 9 . 1 1 20 20 THR HA H 20 5.065 5.065 4.826 0.239 17731 448 1 9 . 1 1 20 20 THR H H 20 8.608 8.608 8.198 0.410 17731 449 1 9 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.869 0.005 17731 450 1 9 . 1 1 21 21 CYS H H 21 8.159 8.159 8.745 -0.586 17731 451 1 9 . 1 1 22 22 GLY H H 22 8.319 8.319 7.820 0.499 17731 452 1 9 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.212 -0.184 17731 453 1 9 . 1 1 23 23 ILE H H 23 8.145 8.145 8.380 -0.235 17731 454 1 9 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.074 -0.083 17731 455 1 9 . 1 1 24 24 ARG H H 24 8.457 8.457 9.084 -0.627 17731 456 1 9 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.089 -0.185 17731 457 1 9 . 1 1 25 25 PHE H H 25 7.854 7.854 7.697 0.157 17731 458 1 9 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.838 -0.203 17731 459 1 9 . 1 1 26 26 LEU H H 26 8.983 8.983 9.344 -0.361 17731 460 1 9 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.933 0.026 17731 461 1 9 . 1 1 27 27 TYR H H 27 8.222 8.222 8.726 -0.504 17731 462 1 9 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.922 0.057 17731 463 1 9 . 1 1 28 28 CYS H H 28 8.768 8.768 8.675 0.093 17731 464 1 9 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.383 0.676 17731 465 1 9 . 1 1 29 29 CYS H H 29 8.878 8.878 8.780 0.098 17731 466 1 9 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.324 0.392 17731 467 1 9 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.112 -0.009 17731 468 1 9 . 1 1 31 31 ARG H H 31 8.429 8.429 8.467 -0.038 17731 469 1 10 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.390 -0.035 17731 470 1 10 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.100 0.306 17731 471 1 10 . 1 1 3 3 LEU H H 3 8.341 8.341 7.642 0.699 17731 472 1 10 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.004 1.092 17731 473 1 10 . 1 1 4 4 CYS H H 4 7.946 7.946 8.357 -0.411 17731 474 1 10 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.036 -0.200 17731 475 1 10 . 1 1 5 5 TYR H H 5 8.663 8.663 8.821 -0.158 17731 476 1 10 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.163 0.618 17731 477 1 10 . 1 1 6 6 CYS H H 6 8.942 8.942 9.145 -0.203 17731 478 1 10 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.643 0.095 17731 479 1 10 . 1 1 7 7 ARG H H 7 9.828 9.828 9.353 0.475 17731 480 1 10 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.726 0.156 17731 481 1 10 . 1 1 8 8 LYS H H 8 8.639 8.639 8.721 -0.082 17731 482 1 10 . 1 1 9 9 GLY H H 9 8.781 8.781 7.771 1.010 17731 483 1 10 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.868 -0.323 17731 484 1 10 . 1 1 10 10 HIS H H 10 8.076 8.076 8.519 -0.443 17731 485 1 10 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.176 0.666 17731 486 1 10 . 1 1 11 11 CYS H H 11 8.854 8.854 8.521 0.333 17731 487 1 10 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.513 -0.173 17731 488 1 10 . 1 1 12 12 LYS H H 12 7.967 7.967 8.641 -0.674 17731 489 1 10 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.066 -0.018 17731 490 1 10 . 1 1 13 13 ARG H H 13 8.470 8.470 8.979 -0.509 17731 491 1 10 . 1 1 15 15 GLY H H 15 8.385 8.385 8.706 -0.321 17731 492 1 10 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.403 0.298 17731 493 1 10 . 1 1 16 16 ARG H H 16 8.855 8.855 8.370 0.485 17731 494 1 10 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.935 0.130 17731 495 1 10 . 1 1 17 17 VAL H H 17 8.749 8.749 7.774 0.975 17731 496 1 10 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.462 0.238 17731 497 1 10 . 1 1 18 18 ARG H H 18 9.500 9.500 9.213 0.287 17731 498 1 10 . 1 1 19 19 GLY H H 19 7.821 7.821 7.839 -0.018 17731 499 1 10 . 1 1 20 20 THR HA H 20 5.065 5.065 4.448 0.617 17731 500 1 10 . 1 1 20 20 THR H H 20 8.608 8.608 8.189 0.419 17731 501 1 10 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.700 0.174 17731 502 1 10 . 1 1 21 21 CYS H H 21 8.159 8.159 8.808 -0.649 17731 503 1 10 . 1 1 22 22 GLY H H 22 8.319 8.319 7.935 0.384 17731 504 1 10 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.437 -0.409 17731 505 1 10 . 1 1 23 23 ILE H H 23 8.145 8.145 8.305 -0.160 17731 506 1 10 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.876 0.115 17731 507 1 10 . 1 1 24 24 ARG H H 24 8.457 8.457 8.926 -0.469 17731 508 1 10 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.725 0.179 17731 509 1 10 . 1 1 25 25 PHE H H 25 7.854 7.854 7.691 0.163 17731 510 1 10 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.782 -0.147 17731 511 1 10 . 1 1 26 26 LEU H H 26 8.983 8.983 9.160 -0.177 17731 512 1 10 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.855 0.104 17731 513 1 10 . 1 1 27 27 TYR H H 27 8.222 8.222 8.959 -0.737 17731 514 1 10 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.094 -0.115 17731 515 1 10 . 1 1 28 28 CYS H H 28 8.768 8.768 8.754 0.014 17731 516 1 10 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.690 0.369 17731 517 1 10 . 1 1 29 29 CYS H H 29 8.878 8.878 8.473 0.405 17731 518 1 10 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.583 0.133 17731 519 1 10 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.314 -0.210 17731 520 1 10 . 1 1 31 31 ARG H H 31 8.429 8.429 8.332 0.097 17731 521 1 11 . 1 1 2 2 LEU HA H 2 4.355 4.355 3.883 0.472 17731 522 1 11 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.232 0.174 17731 523 1 11 . 1 1 3 3 LEU H H 3 8.341 8.341 7.859 0.482 17731 524 1 11 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.621 0.475 17731 525 1 11 . 1 1 4 4 CYS H H 4 7.946 7.946 8.040 -0.094 17731 526 1 11 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.985 -0.149 17731 527 1 11 . 1 1 5 5 TYR H H 5 8.663 8.663 8.787 -0.124 17731 528 1 11 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.368 0.413 17731 529 1 11 . 1 1 6 6 CYS H H 6 8.942 8.942 9.048 -0.106 17731 530 1 11 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.661 0.077 17731 531 1 11 . 1 1 7 7 ARG H H 7 9.828 9.828 8.992 0.836 17731 532 1 11 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.914 -0.032 17731 533 1 11 . 1 1 8 8 LYS H H 8 8.639 8.639 8.396 0.243 17731 534 1 11 . 1 1 9 9 GLY H H 9 8.781 8.781 7.814 0.967 17731 535 1 11 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.458 0.087 17731 536 1 11 . 1 1 10 10 HIS H H 10 8.076 8.076 8.702 -0.626 17731 537 1 11 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.355 0.487 17731 538 1 11 . 1 1 11 11 CYS H H 11 8.854 8.854 8.902 -0.048 17731 539 1 11 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.111 0.229 17731 540 1 11 . 1 1 12 12 LYS H H 12 7.967 7.967 8.559 -0.592 17731 541 1 11 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.085 -0.037 17731 542 1 11 . 1 1 13 13 ARG H H 13 8.470 8.470 9.052 -0.582 17731 543 1 11 . 1 1 15 15 GLY H H 15 8.385 8.385 8.309 0.076 17731 544 1 11 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.447 0.254 17731 545 1 11 . 1 1 16 16 ARG H H 16 8.855 8.855 8.431 0.424 17731 546 1 11 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.793 0.272 17731 547 1 11 . 1 1 17 17 VAL H H 17 8.749 8.749 7.906 0.843 17731 548 1 11 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.651 0.049 17731 549 1 11 . 1 1 18 18 ARG H H 18 9.500 9.500 8.871 0.629 17731 550 1 11 . 1 1 19 19 GLY H H 19 7.821 7.821 7.772 0.049 17731 551 1 11 . 1 1 20 20 THR HA H 20 5.065 5.065 4.704 0.361 17731 552 1 11 . 1 1 20 20 THR H H 20 8.608 8.608 8.239 0.369 17731 553 1 11 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.708 0.166 17731 554 1 11 . 1 1 21 21 CYS H H 21 8.159 8.159 8.916 -0.757 17731 555 1 11 . 1 1 22 22 GLY H H 22 8.319 8.319 7.904 0.415 17731 556 1 11 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.256 -0.228 17731 557 1 11 . 1 1 23 23 ILE H H 23 8.145 8.145 8.316 -0.171 17731 558 1 11 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.021 -0.030 17731 559 1 11 . 1 1 24 24 ARG H H 24 8.457 8.457 8.999 -0.542 17731 560 1 11 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.675 0.229 17731 561 1 11 . 1 1 25 25 PHE H H 25 7.854 7.854 7.911 -0.057 17731 562 1 11 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.683 -0.047 17731 563 1 11 . 1 1 26 26 LEU H H 26 8.983 8.983 9.329 -0.346 17731 564 1 11 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.967 -0.008 17731 565 1 11 . 1 1 27 27 TYR H H 27 8.222 8.222 9.057 -0.835 17731 566 1 11 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.714 0.265 17731 567 1 11 . 1 1 28 28 CYS H H 28 8.768 8.768 8.269 0.499 17731 568 1 11 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.523 0.536 17731 569 1 11 . 1 1 29 29 CYS H H 29 8.878 8.878 8.171 0.707 17731 570 1 11 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.418 0.298 17731 571 1 11 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.578 -0.475 17731 572 1 11 . 1 1 31 31 ARG H H 31 8.429 8.429 7.764 0.665 17731 573 1 12 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.364 -0.009 17731 574 1 12 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.318 0.088 17731 575 1 12 . 1 1 3 3 LEU H H 3 8.341 8.341 8.158 0.183 17731 576 1 12 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.410 0.686 17731 577 1 12 . 1 1 4 4 CYS H H 4 7.946 7.946 8.597 -0.651 17731 578 1 12 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.913 -0.077 17731 579 1 12 . 1 1 5 5 TYR H H 5 8.663 8.663 8.611 0.052 17731 580 1 12 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.461 0.320 17731 581 1 12 . 1 1 6 6 CYS H H 6 8.942 8.942 9.118 -0.176 17731 582 1 12 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.887 -0.149 17731 583 1 12 . 1 1 7 7 ARG H H 7 9.828 9.828 8.986 0.842 17731 584 1 12 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.878 0.004 17731 585 1 12 . 1 1 8 8 LYS H H 8 8.639 8.639 8.430 0.209 17731 586 1 12 . 1 1 9 9 GLY H H 9 8.781 8.781 8.560 0.221 17731 587 1 12 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.612 -0.067 17731 588 1 12 . 1 1 10 10 HIS H H 10 8.076 8.076 8.384 -0.308 17731 589 1 12 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.380 0.462 17731 590 1 12 . 1 1 11 11 CYS H H 11 8.854 8.854 8.407 0.447 17731 591 1 12 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.493 -0.153 17731 592 1 12 . 1 1 12 12 LYS H H 12 7.967 7.967 8.834 -0.867 17731 593 1 12 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.965 0.083 17731 594 1 12 . 1 1 13 13 ARG H H 13 8.470 8.470 9.141 -0.671 17731 595 1 12 . 1 1 15 15 GLY H H 15 8.385 8.385 8.536 -0.151 17731 596 1 12 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.392 0.309 17731 597 1 12 . 1 1 16 16 ARG H H 16 8.855 8.855 8.180 0.675 17731 598 1 12 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.817 0.248 17731 599 1 12 . 1 1 17 17 VAL H H 17 8.749 8.749 7.718 1.031 17731 600 1 12 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.756 -0.056 17731 601 1 12 . 1 1 18 18 ARG H H 18 9.500 9.500 8.995 0.505 17731 602 1 12 . 1 1 19 19 GLY H H 19 7.821 7.821 7.605 0.216 17731 603 1 12 . 1 1 20 20 THR HA H 20 5.065 5.065 4.647 0.418 17731 604 1 12 . 1 1 20 20 THR H H 20 8.608 8.608 8.210 0.398 17731 605 1 12 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.684 0.190 17731 606 1 12 . 1 1 21 21 CYS H H 21 8.159 8.159 8.633 -0.474 17731 607 1 12 . 1 1 22 22 GLY H H 22 8.319 8.319 8.484 -0.165 17731 608 1 12 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.370 -0.342 17731 609 1 12 . 1 1 23 23 ILE H H 23 8.145 8.145 8.316 -0.171 17731 610 1 12 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.591 -0.600 17731 611 1 12 . 1 1 24 24 ARG H H 24 8.457 8.457 7.808 0.649 17731 612 1 12 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.890 0.014 17731 613 1 12 . 1 1 25 25 PHE H H 25 7.854 7.854 8.296 -0.442 17731 614 1 12 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.599 0.036 17731 615 1 12 . 1 1 26 26 LEU H H 26 8.983 8.983 8.922 0.061 17731 616 1 12 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.750 0.209 17731 617 1 12 . 1 1 27 27 TYR H H 27 8.222 8.222 8.643 -0.421 17731 618 1 12 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.901 0.078 17731 619 1 12 . 1 1 28 28 CYS H H 28 8.768 8.768 8.259 0.509 17731 620 1 12 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.558 0.501 17731 621 1 12 . 1 1 29 29 CYS H H 29 8.878 8.878 9.011 -0.133 17731 622 1 12 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.262 0.454 17731 623 1 12 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.527 -0.424 17731 624 1 12 . 1 1 31 31 ARG H H 31 8.429 8.429 8.297 0.132 17731 625 1 13 . 1 1 2 2 LEU HA H 2 4.355 4.355 3.984 0.371 17731 626 1 13 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.536 -0.130 17731 627 1 13 . 1 1 3 3 LEU H H 3 8.341 8.341 7.996 0.345 17731 628 1 13 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.457 0.639 17731 629 1 13 . 1 1 4 4 CYS H H 4 7.946 7.946 8.042 -0.096 17731 630 1 13 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.862 -0.026 17731 631 1 13 . 1 1 5 5 TYR H H 5 8.663 8.663 8.473 0.191 17731 632 1 13 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.407 0.374 17731 633 1 13 . 1 1 6 6 CYS H H 6 8.942 8.942 8.959 -0.017 17731 634 1 13 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.876 -0.138 17731 635 1 13 . 1 1 7 7 ARG H H 7 9.828 9.828 9.345 0.483 17731 636 1 13 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.702 0.180 17731 637 1 13 . 1 1 8 8 LYS H H 8 8.639 8.639 8.714 -0.075 17731 638 1 13 . 1 1 9 9 GLY H H 9 8.781 8.781 8.136 0.645 17731 639 1 13 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.907 -0.362 17731 640 1 13 . 1 1 10 10 HIS H H 10 8.076 8.076 8.523 -0.447 17731 641 1 13 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.362 0.480 17731 642 1 13 . 1 1 11 11 CYS H H 11 8.854 8.854 8.788 0.066 17731 643 1 13 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.453 -0.113 17731 644 1 13 . 1 1 12 12 LYS H H 12 7.967 7.967 8.494 -0.527 17731 645 1 13 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.486 -0.438 17731 646 1 13 . 1 1 13 13 ARG H H 13 8.470 8.470 8.311 0.159 17731 647 1 13 . 1 1 15 15 GLY H H 15 8.385 8.385 8.041 0.344 17731 648 1 13 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.444 0.257 17731 649 1 13 . 1 1 16 16 ARG H H 16 8.855 8.855 8.521 0.334 17731 650 1 13 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.793 0.272 17731 651 1 13 . 1 1 17 17 VAL H H 17 8.749 8.749 7.563 1.186 17731 652 1 13 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.430 0.270 17731 653 1 13 . 1 1 18 18 ARG H H 18 9.500 9.500 9.179 0.321 17731 654 1 13 . 1 1 19 19 GLY H H 19 7.821 7.821 8.058 -0.237 17731 655 1 13 . 1 1 20 20 THR HA H 20 5.065 5.065 4.578 0.487 17731 656 1 13 . 1 1 20 20 THR H H 20 8.608 8.608 8.126 0.482 17731 657 1 13 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.717 0.157 17731 658 1 13 . 1 1 21 21 CYS H H 21 8.159 8.159 8.796 -0.637 17731 659 1 13 . 1 1 22 22 GLY H H 22 8.319 8.319 7.994 0.325 17731 660 1 13 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.392 -0.364 17731 661 1 13 . 1 1 23 23 ILE H H 23 8.145 8.145 8.328 -0.183 17731 662 1 13 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.912 0.079 17731 663 1 13 . 1 1 24 24 ARG H H 24 8.457 8.457 9.000 -0.543 17731 664 1 13 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.619 0.285 17731 665 1 13 . 1 1 25 25 PHE H H 25 7.854 7.854 7.830 0.024 17731 666 1 13 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.893 -0.258 17731 667 1 13 . 1 1 26 26 LEU H H 26 8.983 8.983 9.401 -0.418 17731 668 1 13 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.918 0.041 17731 669 1 13 . 1 1 27 27 TYR H H 27 8.222 8.222 8.997 -0.775 17731 670 1 13 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.893 0.086 17731 671 1 13 . 1 1 28 28 CYS H H 28 8.768 8.768 8.713 0.055 17731 672 1 13 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.403 0.656 17731 673 1 13 . 1 1 29 29 CYS H H 29 8.878 8.878 8.228 0.650 17731 674 1 13 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.244 0.472 17731 675 1 13 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.407 -0.304 17731 676 1 13 . 1 1 31 31 ARG H H 31 8.429 8.429 7.646 0.783 17731 677 1 14 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.400 -0.045 17731 678 1 14 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.333 0.073 17731 679 1 14 . 1 1 3 3 LEU H H 3 8.341 8.341 8.121 0.220 17731 680 1 14 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.450 0.646 17731 681 1 14 . 1 1 4 4 CYS H H 4 7.946 7.946 8.599 -0.653 17731 682 1 14 . 1 1 5 5 TYR HA H 5 4.836 4.836 5.069 -0.233 17731 683 1 14 . 1 1 5 5 TYR H H 5 8.663 8.663 8.758 -0.095 17731 684 1 14 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.835 -0.054 17731 685 1 14 . 1 1 6 6 CYS H H 6 8.942 8.942 9.195 -0.253 17731 686 1 14 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.824 -0.086 17731 687 1 14 . 1 1 7 7 ARG H H 7 9.828 9.828 9.123 0.705 17731 688 1 14 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.740 0.142 17731 689 1 14 . 1 1 8 8 LYS H H 8 8.639 8.639 7.912 0.727 17731 690 1 14 . 1 1 9 9 GLY H H 9 8.781 8.781 8.309 0.472 17731 691 1 14 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.636 -0.091 17731 692 1 14 . 1 1 10 10 HIS H H 10 8.076 8.076 8.479 -0.403 17731 693 1 14 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.287 0.555 17731 694 1 14 . 1 1 11 11 CYS H H 11 8.854 8.854 8.307 0.547 17731 695 1 14 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.411 -0.071 17731 696 1 14 . 1 1 12 12 LYS H H 12 7.967 7.967 8.824 -0.857 17731 697 1 14 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.976 0.072 17731 698 1 14 . 1 1 13 13 ARG H H 13 8.470 8.470 9.080 -0.610 17731 699 1 14 . 1 1 15 15 GLY H H 15 8.385 8.385 8.159 0.226 17731 700 1 14 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.576 0.125 17731 701 1 14 . 1 1 16 16 ARG H H 16 8.855 8.855 8.168 0.687 17731 702 1 14 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.134 -0.069 17731 703 1 14 . 1 1 17 17 VAL H H 17 8.749 8.749 8.674 0.075 17731 704 1 14 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.670 0.030 17731 705 1 14 . 1 1 18 18 ARG H H 18 9.500 9.500 9.077 0.423 17731 706 1 14 . 1 1 19 19 GLY H H 19 7.821 7.821 7.733 0.088 17731 707 1 14 . 1 1 20 20 THR HA H 20 5.065 5.065 4.936 0.129 17731 708 1 14 . 1 1 20 20 THR H H 20 8.608 8.608 8.125 0.483 17731 709 1 14 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.484 0.390 17731 710 1 14 . 1 1 21 21 CYS H H 21 8.159 8.159 9.069 -0.910 17731 711 1 14 . 1 1 22 22 GLY H H 22 8.319 8.319 8.455 -0.136 17731 712 1 14 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.392 -0.364 17731 713 1 14 . 1 1 23 23 ILE H H 23 8.145 8.145 7.480 0.665 17731 714 1 14 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.099 -0.108 17731 715 1 14 . 1 1 24 24 ARG H H 24 8.457 8.457 8.925 -0.468 17731 716 1 14 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.754 0.150 17731 717 1 14 . 1 1 25 25 PHE H H 25 7.854 7.854 8.196 -0.342 17731 718 1 14 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.499 0.136 17731 719 1 14 . 1 1 26 26 LEU H H 26 8.983 8.983 8.808 0.175 17731 720 1 14 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.891 0.068 17731 721 1 14 . 1 1 27 27 TYR H H 27 8.222 8.222 8.946 -0.724 17731 722 1 14 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.049 -0.070 17731 723 1 14 . 1 1 28 28 CYS H H 28 8.768 8.768 8.810 -0.042 17731 724 1 14 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.572 0.487 17731 725 1 14 . 1 1 29 29 CYS H H 29 8.878 8.878 8.963 -0.085 17731 726 1 14 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.407 0.309 17731 727 1 14 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.115 -0.012 17731 728 1 14 . 1 1 31 31 ARG H H 31 8.429 8.429 7.760 0.669 17731 729 1 15 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.259 0.096 17731 730 1 15 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.389 0.017 17731 731 1 15 . 1 1 3 3 LEU H H 3 8.341 8.341 7.702 0.639 17731 732 1 15 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.286 0.810 17731 733 1 15 . 1 1 4 4 CYS H H 4 7.946 7.946 8.775 -0.829 17731 734 1 15 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.844 -0.008 17731 735 1 15 . 1 1 5 5 TYR H H 5 8.663 8.663 8.048 0.615 17731 736 1 15 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.319 0.462 17731 737 1 15 . 1 1 6 6 CYS H H 6 8.942 8.942 9.135 -0.193 17731 738 1 15 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.841 -0.103 17731 739 1 15 . 1 1 7 7 ARG H H 7 9.828 9.828 9.279 0.549 17731 740 1 15 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.744 0.138 17731 741 1 15 . 1 1 8 8 LYS H H 8 8.639 8.639 8.777 -0.138 17731 742 1 15 . 1 1 9 9 GLY H H 9 8.781 8.781 7.598 1.183 17731 743 1 15 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.866 -0.321 17731 744 1 15 . 1 1 10 10 HIS H H 10 8.076 8.076 8.627 -0.551 17731 745 1 15 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.357 0.485 17731 746 1 15 . 1 1 11 11 CYS H H 11 8.854 8.854 8.174 0.680 17731 747 1 15 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.384 -0.044 17731 748 1 15 . 1 1 12 12 LYS H H 12 7.967 7.967 8.438 -0.471 17731 749 1 15 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.992 0.056 17731 750 1 15 . 1 1 13 13 ARG H H 13 8.470 8.470 9.203 -0.733 17731 751 1 15 . 1 1 15 15 GLY H H 15 8.385 8.385 7.951 0.434 17731 752 1 15 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.623 0.078 17731 753 1 15 . 1 1 16 16 ARG H H 16 8.855 8.855 8.222 0.633 17731 754 1 15 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.891 0.174 17731 755 1 15 . 1 1 17 17 VAL H H 17 8.749 8.749 8.694 0.055 17731 756 1 15 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.454 0.246 17731 757 1 15 . 1 1 18 18 ARG H H 18 9.500 9.500 9.193 0.307 17731 758 1 15 . 1 1 19 19 GLY H H 19 7.821 7.821 7.811 0.010 17731 759 1 15 . 1 1 20 20 THR HA H 20 5.065 5.065 4.634 0.431 17731 760 1 15 . 1 1 20 20 THR H H 20 8.608 8.608 8.146 0.462 17731 761 1 15 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.703 0.171 17731 762 1 15 . 1 1 21 21 CYS H H 21 8.159 8.159 8.825 -0.666 17731 763 1 15 . 1 1 22 22 GLY H H 22 8.319 8.319 7.880 0.439 17731 764 1 15 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.166 -0.138 17731 765 1 15 . 1 1 23 23 ILE H H 23 8.145 8.145 8.458 -0.313 17731 766 1 15 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.943 0.048 17731 767 1 15 . 1 1 24 24 ARG H H 24 8.457 8.457 8.872 -0.415 17731 768 1 15 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.977 -0.073 17731 769 1 15 . 1 1 25 25 PHE H H 25 7.854 7.854 7.712 0.142 17731 770 1 15 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.810 -0.175 17731 771 1 15 . 1 1 26 26 LEU H H 26 8.983 8.983 9.478 -0.495 17731 772 1 15 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.112 -0.153 17731 773 1 15 . 1 1 27 27 TYR H H 27 8.222 8.222 9.181 -0.959 17731 774 1 15 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.973 0.006 17731 775 1 15 . 1 1 28 28 CYS H H 28 8.768 8.768 8.581 0.187 17731 776 1 15 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.600 0.459 17731 777 1 15 . 1 1 29 29 CYS H H 29 8.878 8.878 8.950 -0.072 17731 778 1 15 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.646 0.070 17731 779 1 15 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.101 0.002 17731 780 1 15 . 1 1 31 31 ARG H H 31 8.429 8.429 8.620 -0.191 17731 781 1 16 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.424 -0.069 17731 782 1 16 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.652 -0.246 17731 783 1 16 . 1 1 3 3 LEU H H 3 8.341 8.341 7.722 0.619 17731 784 1 16 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.277 0.819 17731 785 1 16 . 1 1 4 4 CYS H H 4 7.946 7.946 7.884 0.062 17731 786 1 16 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.981 -0.145 17731 787 1 16 . 1 1 5 5 TYR H H 5 8.663 8.663 8.639 0.024 17731 788 1 16 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.873 -0.092 17731 789 1 16 . 1 1 6 6 CYS H H 6 8.942 8.942 9.076 -0.134 17731 790 1 16 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.912 -0.174 17731 791 1 16 . 1 1 7 7 ARG H H 7 9.828 9.828 9.143 0.685 17731 792 1 16 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.790 0.092 17731 793 1 16 . 1 1 8 8 LYS H H 8 8.639 8.639 8.589 0.050 17731 794 1 16 . 1 1 9 9 GLY H H 9 8.781 8.781 8.646 0.135 17731 795 1 16 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.628 -0.083 17731 796 1 16 . 1 1 10 10 HIS H H 10 8.076 8.076 7.819 0.257 17731 797 1 16 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.165 0.677 17731 798 1 16 . 1 1 11 11 CYS H H 11 8.854 8.854 8.322 0.532 17731 799 1 16 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.377 -0.037 17731 800 1 16 . 1 1 12 12 LYS H H 12 7.967 7.967 8.320 -0.353 17731 801 1 16 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.908 0.140 17731 802 1 16 . 1 1 13 13 ARG H H 13 8.470 8.470 9.092 -0.622 17731 803 1 16 . 1 1 15 15 GLY H H 15 8.385 8.385 8.209 0.176 17731 804 1 16 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.472 0.229 17731 805 1 16 . 1 1 16 16 ARG H H 16 8.855 8.855 8.090 0.765 17731 806 1 16 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.892 0.173 17731 807 1 16 . 1 1 17 17 VAL H H 17 8.749 8.749 8.611 0.138 17731 808 1 16 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.621 0.079 17731 809 1 16 . 1 1 18 18 ARG H H 18 9.500 9.500 9.038 0.462 17731 810 1 16 . 1 1 19 19 GLY H H 19 7.821 7.821 7.896 -0.075 17731 811 1 16 . 1 1 20 20 THR HA H 20 5.065 5.065 4.650 0.415 17731 812 1 16 . 1 1 20 20 THR H H 20 8.608 8.608 8.224 0.384 17731 813 1 16 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.849 0.025 17731 814 1 16 . 1 1 21 21 CYS H H 21 8.159 8.159 8.966 -0.807 17731 815 1 16 . 1 1 22 22 GLY H H 22 8.319 8.319 8.488 -0.169 17731 816 1 16 . 1 1 23 23 ILE HA H 23 4.028 4.028 3.992 0.036 17731 817 1 16 . 1 1 23 23 ILE H H 23 8.145 8.145 8.108 0.037 17731 818 1 16 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.984 0.007 17731 819 1 16 . 1 1 24 24 ARG H H 24 8.457 8.457 8.441 0.016 17731 820 1 16 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.096 -0.192 17731 821 1 16 . 1 1 25 25 PHE H H 25 7.854 7.854 7.750 0.104 17731 822 1 16 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.800 -0.165 17731 823 1 16 . 1 1 26 26 LEU H H 26 8.983 8.983 9.099 -0.116 17731 824 1 16 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.069 -0.110 17731 825 1 16 . 1 1 27 27 TYR H H 27 8.222 8.222 8.981 -0.759 17731 826 1 16 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.041 -0.062 17731 827 1 16 . 1 1 28 28 CYS H H 28 8.768 8.768 8.709 0.059 17731 828 1 16 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.464 0.595 17731 829 1 16 . 1 1 29 29 CYS H H 29 8.878 8.878 8.931 -0.053 17731 830 1 16 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.275 0.441 17731 831 1 16 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.473 -0.370 17731 832 1 16 . 1 1 31 31 ARG H H 31 8.429 8.429 8.294 0.135 17731 833 1 17 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.446 -0.091 17731 834 1 17 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.645 -0.239 17731 835 1 17 . 1 1 3 3 LEU H H 3 8.341 8.341 8.424 -0.083 17731 836 1 17 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.136 0.960 17731 837 1 17 . 1 1 4 4 CYS H H 4 7.946 7.946 7.442 0.504 17731 838 1 17 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.892 -0.056 17731 839 1 17 . 1 1 5 5 TYR H H 5 8.663 8.663 8.376 0.287 17731 840 1 17 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.129 0.652 17731 841 1 17 . 1 1 6 6 CYS H H 6 8.942 8.942 9.214 -0.272 17731 842 1 17 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.678 0.060 17731 843 1 17 . 1 1 7 7 ARG H H 7 9.828 9.828 9.326 0.502 17731 844 1 17 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.853 0.029 17731 845 1 17 . 1 1 8 8 LYS H H 8 8.639 8.639 8.766 -0.127 17731 846 1 17 . 1 1 9 9 GLY H H 9 8.781 8.781 8.048 0.733 17731 847 1 17 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.707 -0.162 17731 848 1 17 . 1 1 10 10 HIS H H 10 8.076 8.076 7.591 0.485 17731 849 1 17 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.400 0.442 17731 850 1 17 . 1 1 11 11 CYS H H 11 8.854 8.854 8.618 0.236 17731 851 1 17 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.426 -0.086 17731 852 1 17 . 1 1 12 12 LYS H H 12 7.967 7.967 8.556 -0.589 17731 853 1 17 . 1 1 13 13 ARG HA H 13 4.048 4.048 3.984 0.064 17731 854 1 17 . 1 1 13 13 ARG H H 13 8.470 8.470 9.349 -0.879 17731 855 1 17 . 1 1 15 15 GLY H H 15 8.385 8.385 7.584 0.801 17731 856 1 17 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.470 0.231 17731 857 1 17 . 1 1 16 16 ARG H H 16 8.855 8.855 7.949 0.906 17731 858 1 17 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.757 0.308 17731 859 1 17 . 1 1 17 17 VAL H H 17 8.749 8.749 8.733 0.016 17731 860 1 17 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.660 0.040 17731 861 1 17 . 1 1 18 18 ARG H H 18 9.500 9.500 9.074 0.426 17731 862 1 17 . 1 1 19 19 GLY H H 19 7.821 7.821 7.929 -0.108 17731 863 1 17 . 1 1 20 20 THR HA H 20 5.065 5.065 5.097 -0.032 17731 864 1 17 . 1 1 20 20 THR H H 20 8.608 8.608 8.260 0.348 17731 865 1 17 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.966 -0.092 17731 866 1 17 . 1 1 21 21 CYS H H 21 8.159 8.159 9.003 -0.844 17731 867 1 17 . 1 1 22 22 GLY H H 22 8.319 8.319 7.649 0.670 17731 868 1 17 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.081 -0.053 17731 869 1 17 . 1 1 23 23 ILE H H 23 8.145 8.145 8.360 -0.215 17731 870 1 17 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.029 -0.038 17731 871 1 17 . 1 1 24 24 ARG H H 24 8.457 8.457 8.548 -0.091 17731 872 1 17 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.721 0.183 17731 873 1 17 . 1 1 25 25 PHE H H 25 7.854 7.854 7.679 0.175 17731 874 1 17 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.808 -0.173 17731 875 1 17 . 1 1 26 26 LEU H H 26 8.983 8.983 9.279 -0.296 17731 876 1 17 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.299 -0.340 17731 877 1 17 . 1 1 27 27 TYR H H 27 8.222 8.222 9.287 -1.065 17731 878 1 17 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.017 -0.038 17731 879 1 17 . 1 1 28 28 CYS H H 28 8.768 8.768 8.740 0.028 17731 880 1 17 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.530 0.529 17731 881 1 17 . 1 1 29 29 CYS H H 29 8.878 8.878 8.684 0.194 17731 882 1 17 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.500 0.216 17731 883 1 17 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.491 -0.388 17731 884 1 17 . 1 1 31 31 ARG H H 31 8.429 8.429 8.745 -0.316 17731 885 1 18 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.093 0.262 17731 886 1 18 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.301 0.105 17731 887 1 18 . 1 1 3 3 LEU H H 3 8.341 8.341 7.932 0.409 17731 888 1 18 . 1 1 4 4 CYS HA H 4 5.096 5.096 3.962 1.133 17731 889 1 18 . 1 1 4 4 CYS H H 4 7.946 7.946 8.691 -0.745 17731 890 1 18 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.859 -0.023 17731 891 1 18 . 1 1 5 5 TYR H H 5 8.663 8.663 8.068 0.595 17731 892 1 18 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.249 0.532 17731 893 1 18 . 1 1 6 6 CYS H H 6 8.942 8.942 9.096 -0.154 17731 894 1 18 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.778 -0.040 17731 895 1 18 . 1 1 7 7 ARG H H 7 9.828 9.828 9.319 0.509 17731 896 1 18 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.820 0.062 17731 897 1 18 . 1 1 8 8 LYS H H 8 8.639 8.639 8.688 -0.049 17731 898 1 18 . 1 1 9 9 GLY H H 9 8.781 8.781 8.712 0.069 17731 899 1 18 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.831 -0.286 17731 900 1 18 . 1 1 10 10 HIS H H 10 8.076 8.076 7.736 0.340 17731 901 1 18 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.602 0.240 17731 902 1 18 . 1 1 11 11 CYS H H 11 8.854 8.854 8.288 0.566 17731 903 1 18 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.357 -0.017 17731 904 1 18 . 1 1 12 12 LYS H H 12 7.967 7.967 7.945 0.022 17731 905 1 18 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.402 -0.354 17731 906 1 18 . 1 1 13 13 ARG H H 13 8.470 8.470 8.208 0.262 17731 907 1 18 . 1 1 15 15 GLY H H 15 8.385 8.385 8.649 -0.264 17731 908 1 18 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.591 0.110 17731 909 1 18 . 1 1 16 16 ARG H H 16 8.855 8.855 8.111 0.744 17731 910 1 18 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.828 0.237 17731 911 1 18 . 1 1 17 17 VAL H H 17 8.749 8.749 8.135 0.614 17731 912 1 18 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.545 0.155 17731 913 1 18 . 1 1 18 18 ARG H H 18 9.500 9.500 8.907 0.593 17731 914 1 18 . 1 1 19 19 GLY H H 19 7.821 7.821 7.745 0.076 17731 915 1 18 . 1 1 20 20 THR HA H 20 5.065 5.065 4.675 0.390 17731 916 1 18 . 1 1 20 20 THR H H 20 8.608 8.608 8.229 0.379 17731 917 1 18 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.662 0.212 17731 918 1 18 . 1 1 21 21 CYS H H 21 8.159 8.159 8.783 -0.624 17731 919 1 18 . 1 1 22 22 GLY H H 22 8.319 8.319 8.667 -0.348 17731 920 1 18 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.523 -0.495 17731 921 1 18 . 1 1 23 23 ILE H H 23 8.145 8.145 8.207 -0.062 17731 922 1 18 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.511 -0.520 17731 923 1 18 . 1 1 24 24 ARG H H 24 8.457 8.457 7.832 0.625 17731 924 1 18 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.745 0.159 17731 925 1 18 . 1 1 25 25 PHE H H 25 7.854 7.854 8.180 -0.326 17731 926 1 18 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.580 0.055 17731 927 1 18 . 1 1 26 26 LEU H H 26 8.983 8.983 9.354 -0.371 17731 928 1 18 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.173 -0.214 17731 929 1 18 . 1 1 27 27 TYR H H 27 8.222 8.222 9.107 -0.885 17731 930 1 18 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.885 0.094 17731 931 1 18 . 1 1 28 28 CYS H H 28 8.768 8.768 8.417 0.351 17731 932 1 18 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.426 0.633 17731 933 1 18 . 1 1 29 29 CYS H H 29 8.878 8.878 8.601 0.277 17731 934 1 18 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.448 0.268 17731 935 1 18 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.453 -0.350 17731 936 1 18 . 1 1 31 31 ARG H H 31 8.429 8.429 8.111 0.318 17731 937 1 19 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.835 -0.480 17731 938 1 19 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.717 -0.311 17731 939 1 19 . 1 1 3 3 LEU H H 3 8.341 8.341 8.276 0.065 17731 940 1 19 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.196 0.900 17731 941 1 19 . 1 1 4 4 CYS H H 4 7.946 7.946 8.566 -0.620 17731 942 1 19 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.948 -0.112 17731 943 1 19 . 1 1 5 5 TYR H H 5 8.663 8.663 8.686 -0.023 17731 944 1 19 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.402 0.379 17731 945 1 19 . 1 1 6 6 CYS H H 6 8.942 8.942 9.101 -0.159 17731 946 1 19 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.786 -0.048 17731 947 1 19 . 1 1 7 7 ARG H H 7 9.828 9.828 9.351 0.477 17731 948 1 19 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.788 0.094 17731 949 1 19 . 1 1 8 8 LYS H H 8 8.639 8.639 8.765 -0.126 17731 950 1 19 . 1 1 9 9 GLY H H 9 8.781 8.781 7.560 1.221 17731 951 1 19 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.726 -0.181 17731 952 1 19 . 1 1 10 10 HIS H H 10 8.076 8.076 8.525 -0.449 17731 953 1 19 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.207 0.635 17731 954 1 19 . 1 1 11 11 CYS H H 11 8.854 8.854 7.920 0.934 17731 955 1 19 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.418 -0.078 17731 956 1 19 . 1 1 12 12 LYS H H 12 7.967 7.967 8.249 -0.282 17731 957 1 19 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.015 0.033 17731 958 1 19 . 1 1 13 13 ARG H H 13 8.470 8.470 8.932 -0.462 17731 959 1 19 . 1 1 15 15 GLY H H 15 8.385 8.385 8.799 -0.414 17731 960 1 19 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.402 0.299 17731 961 1 19 . 1 1 16 16 ARG H H 16 8.855 8.855 8.103 0.752 17731 962 1 19 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.902 0.163 17731 963 1 19 . 1 1 17 17 VAL H H 17 8.749 8.749 7.863 0.886 17731 964 1 19 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.609 0.090 17731 965 1 19 . 1 1 18 18 ARG H H 18 9.500 9.500 9.140 0.360 17731 966 1 19 . 1 1 19 19 GLY H H 19 7.821 7.821 7.929 -0.108 17731 967 1 19 . 1 1 20 20 THR HA H 20 5.065 5.065 4.746 0.319 17731 968 1 19 . 1 1 20 20 THR H H 20 8.608 8.608 8.237 0.371 17731 969 1 19 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.647 0.227 17731 970 1 19 . 1 1 21 21 CYS H H 21 8.159 8.159 8.862 -0.703 17731 971 1 19 . 1 1 22 22 GLY H H 22 8.319 8.319 7.956 0.363 17731 972 1 19 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.085 -0.057 17731 973 1 19 . 1 1 23 23 ILE H H 23 8.145 8.145 8.457 -0.312 17731 974 1 19 . 1 1 24 24 ARG HA H 24 3.991 3.991 3.963 0.028 17731 975 1 19 . 1 1 24 24 ARG H H 24 8.457 8.457 8.754 -0.297 17731 976 1 19 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.755 0.149 17731 977 1 19 . 1 1 25 25 PHE H H 25 7.854 7.854 7.763 0.091 17731 978 1 19 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.791 -0.156 17731 979 1 19 . 1 1 26 26 LEU H H 26 8.983 8.983 9.073 -0.090 17731 980 1 19 . 1 1 27 27 TYR HA H 27 4.959 4.959 4.966 -0.007 17731 981 1 19 . 1 1 27 27 TYR H H 27 8.222 8.222 9.222 -1.000 17731 982 1 19 . 1 1 28 28 CYS HA H 28 4.979 4.979 5.054 -0.075 17731 983 1 19 . 1 1 28 28 CYS H H 28 8.768 8.768 8.641 0.127 17731 984 1 19 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.435 0.624 17731 985 1 19 . 1 1 29 29 CYS H H 29 8.878 8.878 8.579 0.299 17731 986 1 19 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.498 0.218 17731 987 1 19 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.383 -0.280 17731 988 1 19 . 1 1 31 31 ARG H H 31 8.429 8.429 8.400 0.029 17731 989 1 20 . 1 1 2 2 LEU HA H 2 4.355 4.355 4.554 -0.199 17731 990 1 20 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.562 -0.156 17731 991 1 20 . 1 1 3 3 LEU H H 3 8.341 8.341 7.508 0.833 17731 992 1 20 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.063 1.033 17731 993 1 20 . 1 1 4 4 CYS H H 4 7.946 7.946 7.935 0.011 17731 994 1 20 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.713 0.123 17731 995 1 20 . 1 1 5 5 TYR H H 5 8.663 8.663 8.060 0.603 17731 996 1 20 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.584 0.197 17731 997 1 20 . 1 1 6 6 CYS H H 6 8.942 8.942 8.969 -0.027 17731 998 1 20 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.907 -0.169 17731 999 1 20 . 1 1 7 7 ARG H H 7 9.828 9.828 8.962 0.866 17731 1000 1 20 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.733 0.149 17731 1001 1 20 . 1 1 8 8 LYS H H 8 8.639 8.639 8.402 0.237 17731 1002 1 20 . 1 1 9 9 GLY H H 9 8.781 8.781 7.649 1.132 17731 1003 1 20 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.403 0.142 17731 1004 1 20 . 1 1 10 10 HIS H H 10 8.076 8.076 8.707 -0.631 17731 1005 1 20 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.365 0.477 17731 1006 1 20 . 1 1 11 11 CYS H H 11 8.854 8.854 8.680 0.174 17731 1007 1 20 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.407 -0.067 17731 1008 1 20 . 1 1 12 12 LYS H H 12 7.967 7.967 8.890 -0.923 17731 1009 1 20 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.490 -0.442 17731 1010 1 20 . 1 1 13 13 ARG H H 13 8.470 8.470 7.927 0.543 17731 1011 1 20 . 1 1 15 15 GLY H H 15 8.385 8.385 8.645 -0.260 17731 1012 1 20 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.479 0.222 17731 1013 1 20 . 1 1 16 16 ARG H H 16 8.855 8.855 8.230 0.625 17731 1014 1 20 . 1 1 17 17 VAL HA H 17 4.065 4.065 4.135 -0.070 17731 1015 1 20 . 1 1 17 17 VAL H H 17 8.749 8.749 7.890 0.859 17731 1016 1 20 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.711 -0.011 17731 1017 1 20 . 1 1 18 18 ARG H H 18 9.500 9.500 9.110 0.390 17731 1018 1 20 . 1 1 19 19 GLY H H 19 7.821 7.821 7.735 0.086 17731 1019 1 20 . 1 1 20 20 THR HA H 20 5.065 5.065 4.684 0.381 17731 1020 1 20 . 1 1 20 20 THR H H 20 8.608 8.608 8.171 0.437 17731 1021 1 20 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.954 -0.080 17731 1022 1 20 . 1 1 21 21 CYS H H 21 8.159 8.159 8.930 -0.771 17731 1023 1 20 . 1 1 22 22 GLY H H 22 8.319 8.319 8.473 -0.154 17731 1024 1 20 . 1 1 23 23 ILE HA H 23 4.028 4.028 3.994 0.034 17731 1025 1 20 . 1 1 23 23 ILE H H 23 8.145 8.145 8.064 0.081 17731 1026 1 20 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.075 -0.084 17731 1027 1 20 . 1 1 24 24 ARG H H 24 8.457 8.457 8.631 -0.174 17731 1028 1 20 . 1 1 25 25 PHE HA H 25 4.904 4.904 5.053 -0.149 17731 1029 1 20 . 1 1 25 25 PHE H H 25 7.854 7.854 7.892 -0.038 17731 1030 1 20 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.741 -0.106 17731 1031 1 20 . 1 1 26 26 LEU H H 26 8.983 8.983 9.438 -0.455 17731 1032 1 20 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.015 -0.056 17731 1033 1 20 . 1 1 27 27 TYR H H 27 8.222 8.222 8.712 -0.490 17731 1034 1 20 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.966 0.013 17731 1035 1 20 . 1 1 28 28 CYS H H 28 8.768 8.768 8.482 0.286 17731 1036 1 20 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.295 0.764 17731 1037 1 20 . 1 1 29 29 CYS H H 29 8.878 8.878 8.268 0.610 17731 1038 1 20 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.477 0.239 17731 1039 1 20 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.549 -0.446 17731 1040 1 20 . 1 1 31 31 ARG H H 31 8.429 8.429 7.976 0.453 17731 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 17731 2 1 1 "Average Difference" HA 35 0.338 -0.103 0.326 17731 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17731 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17731 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17731 6 1 1 "Average Difference" HN 27 0.439 -0.080 0.440 17731 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17731 8 1 2 "Average Difference" HA 35 0.374 -0.096 0.367 17731 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17731 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17731 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17731 12 1 2 "Average Difference" HN 27 0.428 0.025 0.436 17731 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17731 14 1 3 "Average Difference" HA 35 0.365 -0.133 0.345 17731 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17731 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17731 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17731 18 1 3 "Average Difference" HN 27 0.400 -0.003 0.408 17731 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17731 20 1 4 "Average Difference" HA 35 0.361 -0.081 0.357 17731 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17731 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17731 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17731 24 1 4 "Average Difference" HN 27 0.436 -0.075 0.438 17731 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17731 26 1 5 "Average Difference" HA 35 0.360 -0.122 0.343 17731 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17731 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17731 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17731 30 1 5 "Average Difference" HN 27 0.542 -0.054 0.550 17731 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17731 32 1 6 "Average Difference" HA 35 0.395 -0.181 0.356 17731 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17731 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17731 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17731 36 1 6 "Average Difference" HN 27 0.457 -0.015 0.465 17731 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17731 38 1 7 "Average Difference" HA 35 0.325 -0.036 0.328 17731 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17731 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17731 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17731 42 1 7 "Average Difference" HN 27 0.484 -0.107 0.481 17731 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17731 44 1 8 "Average Difference" HA 35 0.346 -0.046 0.348 17731 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17731 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17731 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17731 48 1 8 "Average Difference" HN 27 0.568 -0.077 0.573 17731 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17731 50 1 9 "Average Difference" HA 35 0.372 -0.042 0.375 17731 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17731 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17731 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17731 54 1 9 "Average Difference" HN 27 0.527 -0.061 0.534 17731 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17731 56 1 10 "Average Difference" HA 35 0.360 -0.121 0.344 17731 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17731 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17731 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17731 60 1 10 "Average Difference" HN 27 0.477 -0.027 0.485 17731 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17731 62 1 11 "Average Difference" HA 35 0.309 -0.102 0.296 17731 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17731 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17731 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17731 66 1 11 "Average Difference" HN 27 0.529 -0.086 0.532 17731 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17731 68 1 12 "Average Difference" HA 35 0.326 -0.096 0.316 17731 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17731 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17731 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17731 72 1 12 "Average Difference" HN 27 0.478 -0.056 0.484 17731 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17731 74 1 13 "Average Difference" HA 35 0.339 -0.103 0.327 17731 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17731 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17731 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17731 78 1 13 "Average Difference" HN 27 0.472 -0.090 0.472 17731 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17731 80 1 14 "Average Difference" HA 35 0.287 -0.063 0.284 17731 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17731 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17731 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17731 84 1 14 "Average Difference" HN 27 0.507 -0.022 0.516 17731 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17731 86 1 15 "Average Difference" HA 35 0.321 -0.082 0.315 17731 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17731 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17731 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17731 90 1 15 "Average Difference" HN 27 0.538 -0.011 0.548 17731 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17731 92 1 16 "Average Difference" HA 35 0.343 -0.111 0.329 17731 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17731 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17731 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17731 96 1 16 "Average Difference" HN 27 0.388 -0.057 0.391 17731 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17731 98 1 17 "Average Difference" HA 35 0.337 -0.098 0.328 17731 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17731 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17731 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17731 102 1 17 "Average Difference" HN 27 0.510 -0.053 0.517 17731 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17731 104 1 18 "Average Difference" HA 35 0.376 -0.099 0.368 17731 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17731 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17731 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17731 108 1 18 "Average Difference" HN 27 0.456 -0.108 0.451 17731 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17731 110 1 19 "Average Difference" HA 35 0.331 -0.096 0.321 17731 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17731 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17731 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17731 114 1 19 "Average Difference" HN 27 0.518 -0.034 0.527 17731 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17731 116 1 20 "Average Difference" HA 35 0.347 -0.057 0.347 17731 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17731 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17731 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17731 120 1 20 "Average Difference" HN 27 0.545 -0.159 0.532 17731 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 17731 _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 LEU HA H 2 4.355 4.355 4.345 0.010 17731 2 1 . 1 1 3 3 LEU HA H 3 4.406 4.406 4.436 -0.030 17731 3 1 . 1 1 3 3 LEU H H 3 8.341 8.341 7.930 0.411 17731 4 1 . 1 1 4 4 CYS HA H 4 5.096 5.096 4.222 0.874 17731 5 1 . 1 1 4 4 CYS H H 4 7.946 7.946 8.243 -0.297 17731 6 1 . 1 1 5 5 TYR HA H 5 4.836 4.836 4.970 -0.134 17731 7 1 . 1 1 5 5 TYR H H 5 8.663 8.663 8.506 0.157 17731 8 1 . 1 1 6 6 CYS HA H 6 5.781 5.781 5.450 0.331 17731 9 1 . 1 1 6 6 CYS H H 6 8.942 8.942 9.108 -0.166 17731 10 1 . 1 1 7 7 ARG HA H 7 4.738 4.738 4.781 -0.043 17731 11 1 . 1 1 7 7 ARG H H 7 9.828 9.828 9.254 0.574 17731 12 1 . 1 1 8 8 LYS HA H 8 3.882 3.882 3.635 0.247 17731 13 1 . 1 1 8 8 LYS H H 8 8.639 8.639 8.587 0.052 17731 14 1 . 1 1 9 9 GLY H H 9 8.781 8.781 8.083 0.698 17731 15 1 . 1 1 10 10 HIS HA H 10 4.545 4.545 4.658 -0.113 17731 16 1 . 1 1 10 10 HIS H H 10 8.076 8.076 8.329 -0.253 17731 17 1 . 1 1 11 11 CYS HA H 11 4.842 4.842 4.332 0.510 17731 18 1 . 1 1 11 11 CYS H H 11 8.854 8.854 8.479 0.375 17731 19 1 . 1 1 12 12 LYS HA H 12 4.340 4.340 4.385 -0.045 17731 20 1 . 1 1 12 12 LYS H H 12 7.967 7.967 8.536 -0.569 17731 21 1 . 1 1 13 13 ARG HA H 13 4.048 4.048 4.028 0.020 17731 22 1 . 1 1 13 13 ARG H H 13 8.470 8.470 8.847 -0.377 17731 23 1 . 1 1 15 15 GLY H H 15 8.385 8.385 8.173 0.212 17731 24 1 . 1 1 16 16 ARG HA H 16 4.701 4.701 4.541 0.160 17731 25 1 . 1 1 16 16 ARG H H 16 8.855 8.855 8.231 0.624 17731 26 1 . 1 1 17 17 VAL HA H 17 4.065 4.065 3.941 0.124 17731 27 1 . 1 1 17 17 VAL H H 17 8.749 8.749 8.251 0.498 17731 28 1 . 1 1 18 18 ARG HA H 18 4.700 4.700 4.560 0.140 17731 29 1 . 1 1 18 18 ARG H H 18 9.500 9.500 9.090 0.410 17731 30 1 . 1 1 19 19 GLY H H 19 7.821 7.821 7.840 -0.019 17731 31 1 . 1 1 20 20 THR HA H 20 5.065 5.065 4.713 0.352 17731 32 1 . 1 1 20 20 THR H H 20 8.608 8.608 8.195 0.412 17731 33 1 . 1 1 21 21 CYS HA H 21 4.874 4.874 4.701 0.173 17731 34 1 . 1 1 21 21 CYS H H 21 8.159 8.159 8.829 -0.670 17731 35 1 . 1 1 22 22 GLY H H 22 8.319 8.319 7.952 0.367 17731 36 1 . 1 1 23 23 ILE HA H 23 4.028 4.028 4.275 -0.247 17731 37 1 . 1 1 23 23 ILE H H 23 8.145 8.145 8.250 -0.105 17731 38 1 . 1 1 24 24 ARG HA H 24 3.991 3.991 4.085 -0.094 17731 39 1 . 1 1 24 24 ARG H H 24 8.457 8.457 8.775 -0.318 17731 40 1 . 1 1 25 25 PHE HA H 25 4.904 4.904 4.877 0.027 17731 41 1 . 1 1 25 25 PHE H H 25 7.854 7.854 7.849 0.005 17731 42 1 . 1 1 26 26 LEU HA H 26 4.635 4.635 4.760 -0.125 17731 43 1 . 1 1 26 26 LEU H H 26 8.983 8.983 9.263 -0.280 17731 44 1 . 1 1 27 27 TYR HA H 27 4.959 4.959 5.010 -0.051 17731 45 1 . 1 1 27 27 TYR H H 27 8.222 8.222 9.029 -0.807 17731 46 1 . 1 1 28 28 CYS HA H 28 4.979 4.979 4.969 0.010 17731 47 1 . 1 1 28 28 CYS H H 28 8.768 8.768 8.614 0.154 17731 48 1 . 1 1 29 29 CYS HA H 29 5.059 5.059 4.499 0.560 17731 49 1 . 1 1 29 29 CYS H H 29 8.878 8.878 8.668 0.210 17731 50 1 . 1 1 30 30 PRO HA H 30 4.716 4.716 4.437 0.279 17731 51 1 . 1 1 31 31 ARG HA H 31 4.103 4.103 4.365 -0.262 17731 52 1 . 1 1 31 31 ARG H H 31 8.429 8.429 8.174 0.255 17731 stop_ save_