data_18684 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18684 _Entry.PDB_ID 2LXO 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 18684 _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 6 6 LEU HA H 6 4.174 4.174 4.043 0.131 18684 2 1 1 . 1 1 6 6 LEU H H 6 8.323 8.323 7.420 0.903 18684 3 1 1 . 1 1 7 7 GLN H H 7 8.555 8.555 8.910 -0.355 18684 4 1 1 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.292 -0.112 18684 5 1 1 . 1 1 8 8 LYS H H 8 8.130 8.130 8.524 -0.394 18684 6 1 1 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.282 -0.211 18684 7 1 1 . 1 1 9 9 TYR H H 9 8.004 8.004 8.985 -0.981 18684 8 1 1 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.352 0.049 18684 9 1 1 . 1 1 10 10 TYR H H 10 7.862 7.862 7.452 0.410 18684 10 1 1 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.077 0.235 18684 11 1 1 . 1 1 11 11 CYS H H 11 8.217 8.217 7.939 0.278 18684 12 1 1 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.596 1.108 18684 13 1 1 . 1 1 18 18 CYS H H 18 8.704 8.704 7.445 1.259 18684 14 1 1 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.484 0.444 18684 15 1 1 . 1 1 19 19 HIS H H 19 9.728 9.728 8.307 1.421 18684 16 1 1 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.679 -0.237 18684 17 1 1 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.726 -0.407 18684 18 1 1 . 1 1 21 21 VAL H H 21 8.753 8.753 8.472 0.281 18684 19 1 1 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.855 0.060 18684 20 1 1 . 1 1 22 22 PHE H H 22 9.353 9.353 8.224 1.129 18684 21 1 1 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.374 0.651 18684 22 1 1 . 1 1 23 23 CYS H H 23 8.997 8.997 7.850 1.147 18684 23 1 1 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.044 0.280 18684 24 1 1 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.246 0.797 18684 25 1 1 . 1 1 25 25 ARG H H 25 8.414 8.414 7.831 0.583 18684 26 1 1 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.968 -0.098 18684 27 1 1 . 1 1 26 26 ARG H H 26 8.633 8.633 8.356 0.277 18684 28 1 1 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.259 0.360 18684 29 1 1 . 1 1 27 27 TYR H H 27 8.402 8.402 7.292 1.110 18684 30 1 1 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.407 0.205 18684 31 1 1 . 1 1 28 28 LYS H H 28 8.688 8.688 8.133 0.555 18684 32 1 1 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.877 0.991 18684 33 1 1 . 1 1 29 29 GLN H H 29 9.094 9.094 8.314 0.780 18684 34 1 1 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.281 0.465 18684 35 1 1 . 1 1 30 30 ILE H H 30 8.899 8.899 8.452 0.447 18684 36 1 1 . 1 1 31 31 GLY H H 31 7.660 7.660 7.507 0.153 18684 37 1 1 . 1 1 32 32 THR HA H 32 4.985 4.985 4.505 0.480 18684 38 1 1 . 1 1 32 32 THR H H 32 8.846 8.846 8.041 0.805 18684 39 1 1 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.005 -0.113 18684 40 1 1 . 1 1 33 33 CYS H H 33 7.634 7.634 8.031 -0.397 18684 41 1 1 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.405 -0.132 18684 42 1 1 . 1 1 37 37 GLY H H 37 8.475 8.475 8.296 0.179 18684 43 1 1 . 1 1 38 38 THR HA H 38 4.425 4.425 4.615 -0.190 18684 44 1 1 . 1 1 38 38 THR H H 38 7.704 7.704 7.777 -0.073 18684 45 1 1 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.879 -0.319 18684 46 1 1 . 1 1 39 39 LYS H H 39 8.647 8.647 8.361 0.286 18684 47 1 1 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.747 0.375 18684 48 1 1 . 1 1 40 40 CYS H H 40 8.233 8.233 8.102 0.131 18684 49 1 1 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.617 0.932 18684 50 1 1 . 1 1 41 41 CYS H H 41 9.626 9.626 8.135 1.491 18684 51 1 1 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.535 0.169 18684 52 1 1 . 1 1 42 42 LYS H H 42 9.852 9.852 8.394 1.458 18684 53 1 2 . 1 1 6 6 LEU HA H 6 4.174 4.174 3.948 0.226 18684 54 1 2 . 1 1 6 6 LEU H H 6 8.323 8.323 8.887 -0.564 18684 55 1 2 . 1 1 7 7 GLN H H 7 8.555 8.555 9.091 -0.536 18684 56 1 2 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.395 -0.215 18684 57 1 2 . 1 1 8 8 LYS H H 8 8.130 8.130 8.649 -0.519 18684 58 1 2 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.397 -0.326 18684 59 1 2 . 1 1 9 9 TYR H H 9 8.004 8.004 9.020 -1.016 18684 60 1 2 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.294 0.107 18684 61 1 2 . 1 1 10 10 TYR H H 10 7.862 7.862 7.422 0.440 18684 62 1 2 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.174 0.138 18684 63 1 2 . 1 1 11 11 CYS H H 11 8.217 8.217 8.165 0.052 18684 64 1 2 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.655 1.049 18684 65 1 2 . 1 1 18 18 CYS H H 18 8.704 8.704 7.564 1.140 18684 66 1 2 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.547 0.381 18684 67 1 2 . 1 1 19 19 HIS H H 19 9.728 9.728 8.296 1.432 18684 68 1 2 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.654 -0.212 18684 69 1 2 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.749 -0.430 18684 70 1 2 . 1 1 21 21 VAL H H 21 8.753 8.753 8.617 0.136 18684 71 1 2 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.967 -0.052 18684 72 1 2 . 1 1 22 22 PHE H H 22 9.353 9.353 8.313 1.040 18684 73 1 2 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.364 0.661 18684 74 1 2 . 1 1 23 23 CYS H H 23 8.997 8.997 7.879 1.118 18684 75 1 2 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.073 0.251 18684 76 1 2 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.285 0.758 18684 77 1 2 . 1 1 25 25 ARG H H 25 8.414 8.414 7.923 0.491 18684 78 1 2 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.989 -0.119 18684 79 1 2 . 1 1 26 26 ARG H H 26 8.633 8.633 8.457 0.176 18684 80 1 2 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.258 0.361 18684 81 1 2 . 1 1 27 27 TYR H H 27 8.402 8.402 7.401 1.001 18684 82 1 2 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.395 0.217 18684 83 1 2 . 1 1 28 28 LYS H H 28 8.688 8.688 8.011 0.677 18684 84 1 2 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.767 1.101 18684 85 1 2 . 1 1 29 29 GLN H H 29 9.094 9.094 8.631 0.463 18684 86 1 2 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.320 0.426 18684 87 1 2 . 1 1 30 30 ILE H H 30 8.899 8.899 8.592 0.307 18684 88 1 2 . 1 1 31 31 GLY H H 31 7.660 7.660 7.264 0.396 18684 89 1 2 . 1 1 32 32 THR HA H 32 4.985 4.985 4.591 0.394 18684 90 1 2 . 1 1 32 32 THR H H 32 8.846 8.846 8.106 0.740 18684 91 1 2 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.234 -0.342 18684 92 1 2 . 1 1 33 33 CYS H H 33 7.634 7.634 8.523 -0.889 18684 93 1 2 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.505 -0.232 18684 94 1 2 . 1 1 37 37 GLY H H 37 8.475 8.475 7.952 0.523 18684 95 1 2 . 1 1 38 38 THR HA H 38 4.425 4.425 4.791 -0.366 18684 96 1 2 . 1 1 38 38 THR H H 38 7.704 7.704 7.590 0.114 18684 97 1 2 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.856 -0.296 18684 98 1 2 . 1 1 39 39 LYS H H 39 8.647 8.647 8.398 0.249 18684 99 1 2 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.948 0.174 18684 100 1 2 . 1 1 40 40 CYS H H 40 8.233 8.233 8.065 0.168 18684 101 1 2 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.655 0.893 18684 102 1 2 . 1 1 41 41 CYS H H 41 9.626 9.626 7.896 1.730 18684 103 1 2 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.141 0.563 18684 104 1 2 . 1 1 42 42 LYS H H 42 9.852 9.852 8.414 1.438 18684 105 1 3 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.404 -0.230 18684 106 1 3 . 1 1 6 6 LEU H H 6 8.323 8.323 7.704 0.619 18684 107 1 3 . 1 1 7 7 GLN H H 7 8.555 8.555 8.658 -0.103 18684 108 1 3 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.463 -0.283 18684 109 1 3 . 1 1 8 8 LYS H H 8 8.130 8.130 8.726 -0.596 18684 110 1 3 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.409 -0.338 18684 111 1 3 . 1 1 9 9 TYR H H 9 8.004 8.004 9.033 -1.029 18684 112 1 3 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.286 0.115 18684 113 1 3 . 1 1 10 10 TYR H H 10 7.862 7.862 7.435 0.427 18684 114 1 3 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.101 0.211 18684 115 1 3 . 1 1 11 11 CYS H H 11 8.217 8.217 8.109 0.108 18684 116 1 3 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.540 1.164 18684 117 1 3 . 1 1 18 18 CYS H H 18 8.704 8.704 7.324 1.380 18684 118 1 3 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.526 0.402 18684 119 1 3 . 1 1 19 19 HIS H H 19 9.728 9.728 8.248 1.480 18684 120 1 3 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.678 -0.236 18684 121 1 3 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.732 -0.413 18684 122 1 3 . 1 1 21 21 VAL H H 21 8.753 8.753 8.557 0.196 18684 123 1 3 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.062 -0.147 18684 124 1 3 . 1 1 22 22 PHE H H 22 9.353 9.353 8.377 0.976 18684 125 1 3 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.225 0.800 18684 126 1 3 . 1 1 23 23 CYS H H 23 8.997 8.997 7.712 1.285 18684 127 1 3 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.023 0.301 18684 128 1 3 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.247 0.796 18684 129 1 3 . 1 1 25 25 ARG H H 25 8.414 8.414 7.780 0.634 18684 130 1 3 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.989 -0.119 18684 131 1 3 . 1 1 26 26 ARG H H 26 8.633 8.633 8.394 0.239 18684 132 1 3 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.347 0.272 18684 133 1 3 . 1 1 27 27 TYR H H 27 8.402 8.402 7.371 1.031 18684 134 1 3 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.438 0.174 18684 135 1 3 . 1 1 28 28 LYS H H 28 8.688 8.688 7.825 0.863 18684 136 1 3 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.898 0.970 18684 137 1 3 . 1 1 29 29 GLN H H 29 9.094 9.094 8.729 0.365 18684 138 1 3 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.418 0.328 18684 139 1 3 . 1 1 30 30 ILE H H 30 8.899 8.899 8.948 -0.049 18684 140 1 3 . 1 1 31 31 GLY H H 31 7.660 7.660 7.372 0.288 18684 141 1 3 . 1 1 32 32 THR HA H 32 4.985 4.985 4.650 0.335 18684 142 1 3 . 1 1 32 32 THR H H 32 8.846 8.846 8.063 0.783 18684 143 1 3 . 1 1 33 33 CYS HA H 33 4.892 4.892 4.997 -0.105 18684 144 1 3 . 1 1 33 33 CYS H H 33 7.634 7.634 8.859 -1.225 18684 145 1 3 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.493 -0.220 18684 146 1 3 . 1 1 37 37 GLY H H 37 8.475 8.475 8.103 0.372 18684 147 1 3 . 1 1 38 38 THR HA H 38 4.425 4.425 4.839 -0.414 18684 148 1 3 . 1 1 38 38 THR H H 38 7.704 7.704 7.634 0.070 18684 149 1 3 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.696 -0.136 18684 150 1 3 . 1 1 39 39 LYS H H 39 8.647 8.647 8.203 0.444 18684 151 1 3 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.760 0.362 18684 152 1 3 . 1 1 40 40 CYS H H 40 8.233 8.233 8.091 0.142 18684 153 1 3 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.243 0.306 18684 154 1 3 . 1 1 41 41 CYS H H 41 9.626 9.626 7.926 1.700 18684 155 1 3 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.392 0.312 18684 156 1 3 . 1 1 42 42 LYS H H 42 9.852 9.852 8.366 1.486 18684 157 1 4 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.097 0.077 18684 158 1 4 . 1 1 6 6 LEU H H 6 8.323 8.323 8.060 0.263 18684 159 1 4 . 1 1 7 7 GLN H H 7 8.555 8.555 8.802 -0.247 18684 160 1 4 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.183 -0.003 18684 161 1 4 . 1 1 8 8 LYS H H 8 8.130 8.130 8.510 -0.380 18684 162 1 4 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.290 -0.219 18684 163 1 4 . 1 1 9 9 TYR H H 9 8.004 8.004 8.901 -0.897 18684 164 1 4 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.342 0.059 18684 165 1 4 . 1 1 10 10 TYR H H 10 7.862 7.862 7.416 0.446 18684 166 1 4 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.108 0.204 18684 167 1 4 . 1 1 11 11 CYS H H 11 8.217 8.217 7.957 0.260 18684 168 1 4 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.491 1.213 18684 169 1 4 . 1 1 18 18 CYS H H 18 8.704 8.704 7.449 1.255 18684 170 1 4 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.448 0.480 18684 171 1 4 . 1 1 19 19 HIS H H 19 9.728 9.728 8.309 1.419 18684 172 1 4 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.601 -0.159 18684 173 1 4 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.732 -0.413 18684 174 1 4 . 1 1 21 21 VAL H H 21 8.753 8.753 8.652 0.101 18684 175 1 4 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.032 -0.117 18684 176 1 4 . 1 1 22 22 PHE H H 22 9.353 9.353 8.324 1.029 18684 177 1 4 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.203 0.822 18684 178 1 4 . 1 1 23 23 CYS H H 23 8.997 8.997 7.380 1.617 18684 179 1 4 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.093 0.231 18684 180 1 4 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.143 0.900 18684 181 1 4 . 1 1 25 25 ARG H H 25 8.414 8.414 7.806 0.608 18684 182 1 4 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.026 -0.156 18684 183 1 4 . 1 1 26 26 ARG H H 26 8.633 8.633 8.578 0.055 18684 184 1 4 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.245 0.374 18684 185 1 4 . 1 1 27 27 TYR H H 27 8.402 8.402 7.533 0.869 18684 186 1 4 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.371 0.241 18684 187 1 4 . 1 1 28 28 LYS H H 28 8.688 8.688 7.886 0.802 18684 188 1 4 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.678 1.190 18684 189 1 4 . 1 1 29 29 GLN H H 29 9.094 9.094 8.331 0.763 18684 190 1 4 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.333 0.413 18684 191 1 4 . 1 1 30 30 ILE H H 30 8.899 8.899 8.632 0.267 18684 192 1 4 . 1 1 31 31 GLY H H 31 7.660 7.660 7.294 0.366 18684 193 1 4 . 1 1 32 32 THR HA H 32 4.985 4.985 4.264 0.721 18684 194 1 4 . 1 1 32 32 THR H H 32 8.846 8.846 7.960 0.886 18684 195 1 4 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.252 -0.360 18684 196 1 4 . 1 1 33 33 CYS H H 33 7.634 7.634 8.300 -0.666 18684 197 1 4 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.472 -0.199 18684 198 1 4 . 1 1 37 37 GLY H H 37 8.475 8.475 8.394 0.081 18684 199 1 4 . 1 1 38 38 THR HA H 38 4.425 4.425 4.617 -0.192 18684 200 1 4 . 1 1 38 38 THR H H 38 7.704 7.704 7.617 0.087 18684 201 1 4 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.992 -0.432 18684 202 1 4 . 1 1 39 39 LYS H H 39 8.647 8.647 8.319 0.328 18684 203 1 4 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.591 0.531 18684 204 1 4 . 1 1 40 40 CYS H H 40 8.233 8.233 7.990 0.243 18684 205 1 4 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.657 0.892 18684 206 1 4 . 1 1 41 41 CYS H H 41 9.626 9.626 7.965 1.661 18684 207 1 4 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.221 0.483 18684 208 1 4 . 1 1 42 42 LYS H H 42 9.852 9.852 8.456 1.396 18684 209 1 5 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.606 -0.432 18684 210 1 5 . 1 1 6 6 LEU H H 6 8.323 8.323 8.009 0.314 18684 211 1 5 . 1 1 7 7 GLN H H 7 8.555 8.555 9.012 -0.457 18684 212 1 5 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.274 -0.094 18684 213 1 5 . 1 1 8 8 LYS H H 8 8.130 8.130 8.519 -0.389 18684 214 1 5 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.291 -0.220 18684 215 1 5 . 1 1 9 9 TYR H H 9 8.004 8.004 8.919 -0.915 18684 216 1 5 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.444 -0.043 18684 217 1 5 . 1 1 10 10 TYR H H 10 7.862 7.862 7.817 0.045 18684 218 1 5 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.089 0.223 18684 219 1 5 . 1 1 11 11 CYS H H 11 8.217 8.217 8.256 -0.039 18684 220 1 5 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.172 1.532 18684 221 1 5 . 1 1 18 18 CYS H H 18 8.704 8.704 8.787 -0.083 18684 222 1 5 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.493 0.435 18684 223 1 5 . 1 1 19 19 HIS H H 19 9.728 9.728 8.320 1.408 18684 224 1 5 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.624 -0.182 18684 225 1 5 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.752 -0.433 18684 226 1 5 . 1 1 21 21 VAL H H 21 8.753 8.753 8.654 0.099 18684 227 1 5 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.006 -0.091 18684 228 1 5 . 1 1 22 22 PHE H H 22 9.353 9.353 8.066 1.287 18684 229 1 5 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.702 0.323 18684 230 1 5 . 1 1 23 23 CYS H H 23 8.997 8.997 8.264 0.733 18684 231 1 5 . 1 1 24 24 PRO HA H 24 4.324 4.324 3.972 0.352 18684 232 1 5 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.245 0.798 18684 233 1 5 . 1 1 25 25 ARG H H 25 8.414 8.414 7.721 0.693 18684 234 1 5 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.960 -0.090 18684 235 1 5 . 1 1 26 26 ARG H H 26 8.633 8.633 8.432 0.201 18684 236 1 5 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.311 0.308 18684 237 1 5 . 1 1 27 27 TYR H H 27 8.402 8.402 7.226 1.176 18684 238 1 5 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.276 0.336 18684 239 1 5 . 1 1 28 28 LYS H H 28 8.688 8.688 7.981 0.707 18684 240 1 5 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.884 0.984 18684 241 1 5 . 1 1 29 29 GLN H H 29 9.094 9.094 8.600 0.494 18684 242 1 5 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.324 0.422 18684 243 1 5 . 1 1 30 30 ILE H H 30 8.899 8.899 8.245 0.654 18684 244 1 5 . 1 1 31 31 GLY H H 31 7.660 7.660 7.418 0.242 18684 245 1 5 . 1 1 32 32 THR HA H 32 4.985 4.985 4.403 0.582 18684 246 1 5 . 1 1 32 32 THR H H 32 8.846 8.846 8.052 0.794 18684 247 1 5 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.037 -0.145 18684 248 1 5 . 1 1 33 33 CYS H H 33 7.634 7.634 8.357 -0.723 18684 249 1 5 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.433 -0.160 18684 250 1 5 . 1 1 37 37 GLY H H 37 8.475 8.475 8.544 -0.069 18684 251 1 5 . 1 1 38 38 THR HA H 38 4.425 4.425 4.792 -0.367 18684 252 1 5 . 1 1 38 38 THR H H 38 7.704 7.704 7.656 0.048 18684 253 1 5 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.906 -0.346 18684 254 1 5 . 1 1 39 39 LYS H H 39 8.647 8.647 8.217 0.430 18684 255 1 5 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.496 0.626 18684 256 1 5 . 1 1 40 40 CYS H H 40 8.233 8.233 8.104 0.129 18684 257 1 5 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.953 0.596 18684 258 1 5 . 1 1 41 41 CYS H H 41 9.626 9.626 8.427 1.199 18684 259 1 5 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.239 0.465 18684 260 1 5 . 1 1 42 42 LYS H H 42 9.852 9.852 8.445 1.407 18684 261 1 6 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.093 0.081 18684 262 1 6 . 1 1 6 6 LEU H H 6 8.323 8.323 8.356 -0.033 18684 263 1 6 . 1 1 7 7 GLN H H 7 8.555 8.555 8.985 -0.430 18684 264 1 6 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.356 -0.176 18684 265 1 6 . 1 1 8 8 LYS H H 8 8.130 8.130 8.310 -0.180 18684 266 1 6 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.427 -0.356 18684 267 1 6 . 1 1 9 9 TYR H H 9 8.004 8.004 9.066 -1.062 18684 268 1 6 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.304 0.097 18684 269 1 6 . 1 1 10 10 TYR H H 10 7.862 7.862 7.535 0.327 18684 270 1 6 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.233 0.079 18684 271 1 6 . 1 1 11 11 CYS H H 11 8.217 8.217 8.408 -0.191 18684 272 1 6 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.188 1.516 18684 273 1 6 . 1 1 18 18 CYS H H 18 8.704 8.704 8.386 0.318 18684 274 1 6 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.449 0.479 18684 275 1 6 . 1 1 19 19 HIS H H 19 9.728 9.728 8.266 1.462 18684 276 1 6 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.625 -0.183 18684 277 1 6 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.764 -0.445 18684 278 1 6 . 1 1 21 21 VAL H H 21 8.753 8.753 8.671 0.082 18684 279 1 6 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.038 -0.123 18684 280 1 6 . 1 1 22 22 PHE H H 22 9.353 9.353 8.299 1.054 18684 281 1 6 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.656 0.369 18684 282 1 6 . 1 1 23 23 CYS H H 23 8.997 8.997 8.171 0.826 18684 283 1 6 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.016 0.308 18684 284 1 6 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.318 0.725 18684 285 1 6 . 1 1 25 25 ARG H H 25 8.414 8.414 7.869 0.545 18684 286 1 6 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.050 -0.180 18684 287 1 6 . 1 1 26 26 ARG H H 26 8.633 8.633 8.240 0.393 18684 288 1 6 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.243 0.376 18684 289 1 6 . 1 1 27 27 TYR H H 27 8.402 8.402 7.191 1.211 18684 290 1 6 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.257 0.355 18684 291 1 6 . 1 1 28 28 LYS H H 28 8.688 8.688 7.911 0.777 18684 292 1 6 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.118 0.750 18684 293 1 6 . 1 1 29 29 GLN H H 29 9.094 9.094 8.540 0.554 18684 294 1 6 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.425 0.321 18684 295 1 6 . 1 1 30 30 ILE H H 30 8.899 8.899 8.725 0.174 18684 296 1 6 . 1 1 31 31 GLY H H 31 7.660 7.660 7.772 -0.112 18684 297 1 6 . 1 1 32 32 THR HA H 32 4.985 4.985 4.512 0.473 18684 298 1 6 . 1 1 32 32 THR H H 32 8.846 8.846 8.044 0.802 18684 299 1 6 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.121 -0.229 18684 300 1 6 . 1 1 33 33 CYS H H 33 7.634 7.634 8.320 -0.686 18684 301 1 6 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.533 -0.260 18684 302 1 6 . 1 1 37 37 GLY H H 37 8.475 8.475 8.104 0.371 18684 303 1 6 . 1 1 38 38 THR HA H 38 4.425 4.425 4.748 -0.323 18684 304 1 6 . 1 1 38 38 THR H H 38 7.704 7.704 7.638 0.066 18684 305 1 6 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.742 -0.182 18684 306 1 6 . 1 1 39 39 LYS H H 39 8.647 8.647 8.161 0.486 18684 307 1 6 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.486 0.636 18684 308 1 6 . 1 1 40 40 CYS H H 40 8.233 8.233 7.841 0.392 18684 309 1 6 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.951 0.598 18684 310 1 6 . 1 1 41 41 CYS H H 41 9.626 9.626 8.052 1.574 18684 311 1 6 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.227 0.477 18684 312 1 6 . 1 1 42 42 LYS H H 42 9.852 9.852 8.510 1.342 18684 313 1 7 . 1 1 6 6 LEU HA H 6 4.174 4.174 3.954 0.220 18684 314 1 7 . 1 1 6 6 LEU H H 6 8.323 8.323 8.562 -0.239 18684 315 1 7 . 1 1 7 7 GLN H H 7 8.555 8.555 8.809 -0.254 18684 316 1 7 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.327 -0.147 18684 317 1 7 . 1 1 8 8 LYS H H 8 8.130 8.130 8.552 -0.422 18684 318 1 7 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.429 -0.358 18684 319 1 7 . 1 1 9 9 TYR H H 9 8.004 8.004 8.729 -0.725 18684 320 1 7 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.401 0.000 18684 321 1 7 . 1 1 10 10 TYR H H 10 7.862 7.862 7.709 0.153 18684 322 1 7 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.179 0.133 18684 323 1 7 . 1 1 11 11 CYS H H 11 8.217 8.217 8.065 0.152 18684 324 1 7 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.668 1.036 18684 325 1 7 . 1 1 18 18 CYS H H 18 8.704 8.704 7.410 1.294 18684 326 1 7 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.525 0.403 18684 327 1 7 . 1 1 19 19 HIS H H 19 9.728 9.728 8.288 1.440 18684 328 1 7 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.615 -0.173 18684 329 1 7 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.753 -0.434 18684 330 1 7 . 1 1 21 21 VAL H H 21 8.753 8.753 8.610 0.143 18684 331 1 7 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.049 -0.134 18684 332 1 7 . 1 1 22 22 PHE H H 22 9.353 9.353 8.172 1.181 18684 333 1 7 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.605 0.420 18684 334 1 7 . 1 1 23 23 CYS H H 23 8.997 8.997 8.109 0.888 18684 335 1 7 . 1 1 24 24 PRO HA H 24 4.324 4.324 3.930 0.394 18684 336 1 7 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.279 0.764 18684 337 1 7 . 1 1 25 25 ARG H H 25 8.414 8.414 7.799 0.615 18684 338 1 7 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.983 -0.114 18684 339 1 7 . 1 1 26 26 ARG H H 26 8.633 8.633 8.452 0.181 18684 340 1 7 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.352 0.267 18684 341 1 7 . 1 1 27 27 TYR H H 27 8.402 8.402 7.308 1.094 18684 342 1 7 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.254 0.358 18684 343 1 7 . 1 1 28 28 LYS H H 28 8.688 8.688 7.975 0.713 18684 344 1 7 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.956 0.912 18684 345 1 7 . 1 1 29 29 GLN H H 29 9.094 9.094 8.633 0.461 18684 346 1 7 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.353 0.393 18684 347 1 7 . 1 1 30 30 ILE H H 30 8.899 8.899 8.557 0.342 18684 348 1 7 . 1 1 31 31 GLY H H 31 7.660 7.660 7.511 0.149 18684 349 1 7 . 1 1 32 32 THR HA H 32 4.985 4.985 4.256 0.729 18684 350 1 7 . 1 1 32 32 THR H H 32 8.846 8.846 7.979 0.867 18684 351 1 7 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.062 -0.170 18684 352 1 7 . 1 1 33 33 CYS H H 33 7.634 7.634 8.509 -0.875 18684 353 1 7 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.479 -0.206 18684 354 1 7 . 1 1 37 37 GLY H H 37 8.475 8.475 8.046 0.429 18684 355 1 7 . 1 1 38 38 THR HA H 38 4.425 4.425 4.617 -0.192 18684 356 1 7 . 1 1 38 38 THR H H 38 7.704 7.704 7.608 0.096 18684 357 1 7 . 1 1 39 39 LYS HA H 39 4.560 4.560 5.026 -0.466 18684 358 1 7 . 1 1 39 39 LYS H H 39 8.647 8.647 7.957 0.690 18684 359 1 7 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.780 0.342 18684 360 1 7 . 1 1 40 40 CYS H H 40 8.233 8.233 8.214 0.019 18684 361 1 7 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.073 0.476 18684 362 1 7 . 1 1 41 41 CYS H H 41 9.626 9.626 8.025 1.601 18684 363 1 7 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.539 0.165 18684 364 1 7 . 1 1 42 42 LYS H H 42 9.852 9.852 8.257 1.595 18684 365 1 8 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.522 -0.348 18684 366 1 8 . 1 1 6 6 LEU H H 6 8.323 8.323 7.834 0.489 18684 367 1 8 . 1 1 7 7 GLN H H 7 8.555 8.555 8.916 -0.361 18684 368 1 8 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.379 -0.199 18684 369 1 8 . 1 1 8 8 LYS H H 8 8.130 8.130 8.478 -0.348 18684 370 1 8 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.385 -0.314 18684 371 1 8 . 1 1 9 9 TYR H H 9 8.004 8.004 8.905 -0.901 18684 372 1 8 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.466 -0.065 18684 373 1 8 . 1 1 10 10 TYR H H 10 7.862 7.862 7.851 0.011 18684 374 1 8 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.114 0.198 18684 375 1 8 . 1 1 11 11 CYS H H 11 8.217 8.217 8.246 -0.029 18684 376 1 8 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.114 1.590 18684 377 1 8 . 1 1 18 18 CYS H H 18 8.704 8.704 7.779 0.925 18684 378 1 8 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.393 0.535 18684 379 1 8 . 1 1 19 19 HIS H H 19 9.728 9.728 8.160 1.568 18684 380 1 8 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.637 -0.195 18684 381 1 8 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.731 -0.412 18684 382 1 8 . 1 1 21 21 VAL H H 21 8.753 8.753 8.638 0.115 18684 383 1 8 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.938 -0.023 18684 384 1 8 . 1 1 22 22 PHE H H 22 9.353 9.353 8.336 1.017 18684 385 1 8 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.448 0.577 18684 386 1 8 . 1 1 23 23 CYS H H 23 8.997 8.997 7.617 1.380 18684 387 1 8 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.073 0.251 18684 388 1 8 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.285 0.758 18684 389 1 8 . 1 1 25 25 ARG H H 25 8.414 8.414 7.831 0.583 18684 390 1 8 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.974 -0.104 18684 391 1 8 . 1 1 26 26 ARG H H 26 8.633 8.633 8.503 0.130 18684 392 1 8 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.391 0.228 18684 393 1 8 . 1 1 27 27 TYR H H 27 8.402 8.402 7.250 1.152 18684 394 1 8 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.295 0.317 18684 395 1 8 . 1 1 28 28 LYS H H 28 8.688 8.688 7.974 0.714 18684 396 1 8 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.033 0.835 18684 397 1 8 . 1 1 29 29 GLN H H 29 9.094 9.094 8.646 0.448 18684 398 1 8 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.381 0.365 18684 399 1 8 . 1 1 30 30 ILE H H 30 8.899 8.899 8.873 0.026 18684 400 1 8 . 1 1 31 31 GLY H H 31 7.660 7.660 7.582 0.078 18684 401 1 8 . 1 1 32 32 THR HA H 32 4.985 4.985 4.609 0.376 18684 402 1 8 . 1 1 32 32 THR H H 32 8.846 8.846 8.114 0.732 18684 403 1 8 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.241 -0.349 18684 404 1 8 . 1 1 33 33 CYS H H 33 7.634 7.634 8.535 -0.901 18684 405 1 8 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.528 -0.255 18684 406 1 8 . 1 1 37 37 GLY H H 37 8.475 8.475 8.008 0.467 18684 407 1 8 . 1 1 38 38 THR HA H 38 4.425 4.425 4.701 -0.276 18684 408 1 8 . 1 1 38 38 THR H H 38 7.704 7.704 7.628 0.076 18684 409 1 8 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.663 -0.103 18684 410 1 8 . 1 1 39 39 LYS H H 39 8.647 8.647 8.028 0.619 18684 411 1 8 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.560 0.562 18684 412 1 8 . 1 1 40 40 CYS H H 40 8.233 8.233 7.874 0.359 18684 413 1 8 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.260 0.289 18684 414 1 8 . 1 1 41 41 CYS H H 41 9.626 9.626 8.063 1.563 18684 415 1 8 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.300 0.404 18684 416 1 8 . 1 1 42 42 LYS H H 42 9.852 9.852 8.321 1.531 18684 417 1 9 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.497 -0.323 18684 418 1 9 . 1 1 6 6 LEU H H 6 8.323 8.323 7.949 0.374 18684 419 1 9 . 1 1 7 7 GLN H H 7 8.555 8.555 9.071 -0.516 18684 420 1 9 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.362 -0.182 18684 421 1 9 . 1 1 8 8 LYS H H 8 8.130 8.130 8.352 -0.222 18684 422 1 9 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.445 -0.374 18684 423 1 9 . 1 1 9 9 TYR H H 9 8.004 8.004 9.067 -1.063 18684 424 1 9 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.323 0.078 18684 425 1 9 . 1 1 10 10 TYR H H 10 7.862 7.862 7.656 0.206 18684 426 1 9 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.162 0.150 18684 427 1 9 . 1 1 11 11 CYS H H 11 8.217 8.217 8.276 -0.059 18684 428 1 9 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.556 1.148 18684 429 1 9 . 1 1 18 18 CYS H H 18 8.704 8.704 7.476 1.228 18684 430 1 9 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.455 0.473 18684 431 1 9 . 1 1 19 19 HIS H H 19 9.728 9.728 8.258 1.470 18684 432 1 9 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.630 -0.188 18684 433 1 9 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.741 -0.422 18684 434 1 9 . 1 1 21 21 VAL H H 21 8.753 8.753 8.628 0.125 18684 435 1 9 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.926 -0.011 18684 436 1 9 . 1 1 22 22 PHE H H 22 9.353 9.353 8.390 0.963 18684 437 1 9 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.244 0.781 18684 438 1 9 . 1 1 23 23 CYS H H 23 8.997 8.997 7.526 1.471 18684 439 1 9 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.149 0.175 18684 440 1 9 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.278 0.765 18684 441 1 9 . 1 1 25 25 ARG H H 25 8.414 8.414 7.891 0.523 18684 442 1 9 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.008 -0.138 18684 443 1 9 . 1 1 26 26 ARG H H 26 8.633 8.633 8.488 0.145 18684 444 1 9 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.271 0.348 18684 445 1 9 . 1 1 27 27 TYR H H 27 8.402 8.402 7.198 1.204 18684 446 1 9 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.414 0.198 18684 447 1 9 . 1 1 28 28 LYS H H 28 8.688 8.688 7.756 0.932 18684 448 1 9 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.923 0.945 18684 449 1 9 . 1 1 29 29 GLN H H 29 9.094 9.094 8.799 0.295 18684 450 1 9 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.351 0.395 18684 451 1 9 . 1 1 30 30 ILE H H 30 8.899 8.899 8.578 0.321 18684 452 1 9 . 1 1 31 31 GLY H H 31 7.660 7.660 7.524 0.136 18684 453 1 9 . 1 1 32 32 THR HA H 32 4.985 4.985 4.731 0.254 18684 454 1 9 . 1 1 32 32 THR H H 32 8.846 8.846 8.172 0.674 18684 455 1 9 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.277 -0.385 18684 456 1 9 . 1 1 33 33 CYS H H 33 7.634 7.634 8.580 -0.946 18684 457 1 9 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.512 -0.239 18684 458 1 9 . 1 1 37 37 GLY H H 37 8.475 8.475 8.017 0.458 18684 459 1 9 . 1 1 38 38 THR HA H 38 4.425 4.425 4.679 -0.255 18684 460 1 9 . 1 1 38 38 THR H H 38 7.704 7.704 7.622 0.082 18684 461 1 9 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.738 -0.178 18684 462 1 9 . 1 1 39 39 LYS H H 39 8.647 8.647 8.243 0.404 18684 463 1 9 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.684 0.438 18684 464 1 9 . 1 1 40 40 CYS H H 40 8.233 8.233 8.169 0.064 18684 465 1 9 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.394 0.155 18684 466 1 9 . 1 1 41 41 CYS H H 41 9.626 9.626 7.932 1.694 18684 467 1 9 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.589 0.115 18684 468 1 9 . 1 1 42 42 LYS H H 42 9.852 9.852 8.166 1.686 18684 469 1 10 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.090 0.084 18684 470 1 10 . 1 1 6 6 LEU H H 6 8.323 8.323 8.676 -0.353 18684 471 1 10 . 1 1 7 7 GLN H H 7 8.555 8.555 8.830 -0.275 18684 472 1 10 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.305 -0.125 18684 473 1 10 . 1 1 8 8 LYS H H 8 8.130 8.130 8.684 -0.554 18684 474 1 10 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.383 -0.312 18684 475 1 10 . 1 1 9 9 TYR H H 9 8.004 8.004 8.928 -0.924 18684 476 1 10 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.476 -0.075 18684 477 1 10 . 1 1 10 10 TYR H H 10 7.862 7.862 7.725 0.137 18684 478 1 10 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.151 0.161 18684 479 1 10 . 1 1 11 11 CYS H H 11 8.217 8.217 8.174 0.043 18684 480 1 10 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.567 1.137 18684 481 1 10 . 1 1 18 18 CYS H H 18 8.704 8.704 7.439 1.265 18684 482 1 10 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.521 0.407 18684 483 1 10 . 1 1 19 19 HIS H H 19 9.728 9.728 8.318 1.410 18684 484 1 10 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.683 -0.241 18684 485 1 10 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.727 -0.408 18684 486 1 10 . 1 1 21 21 VAL H H 21 8.753 8.753 8.480 0.273 18684 487 1 10 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.835 0.080 18684 488 1 10 . 1 1 22 22 PHE H H 22 9.353 9.353 8.294 1.059 18684 489 1 10 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.265 0.760 18684 490 1 10 . 1 1 23 23 CYS H H 23 8.997 8.997 7.658 1.339 18684 491 1 10 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.075 0.249 18684 492 1 10 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.284 0.759 18684 493 1 10 . 1 1 25 25 ARG H H 25 8.414 8.414 7.835 0.579 18684 494 1 10 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.977 -0.107 18684 495 1 10 . 1 1 26 26 ARG H H 26 8.633 8.633 8.381 0.252 18684 496 1 10 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.331 0.288 18684 497 1 10 . 1 1 27 27 TYR H H 27 8.402 8.402 7.213 1.189 18684 498 1 10 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.436 0.176 18684 499 1 10 . 1 1 28 28 LYS H H 28 8.688 8.688 8.088 0.600 18684 500 1 10 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.874 0.994 18684 501 1 10 . 1 1 29 29 GLN H H 29 9.094 9.094 8.739 0.355 18684 502 1 10 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.426 0.320 18684 503 1 10 . 1 1 30 30 ILE H H 30 8.899 8.899 8.762 0.137 18684 504 1 10 . 1 1 31 31 GLY H H 31 7.660 7.660 7.393 0.267 18684 505 1 10 . 1 1 32 32 THR HA H 32 4.985 4.985 4.631 0.354 18684 506 1 10 . 1 1 32 32 THR H H 32 8.846 8.846 8.087 0.759 18684 507 1 10 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.055 -0.163 18684 508 1 10 . 1 1 33 33 CYS H H 33 7.634 7.634 8.442 -0.808 18684 509 1 10 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.468 -0.195 18684 510 1 10 . 1 1 37 37 GLY H H 37 8.475 8.475 8.264 0.211 18684 511 1 10 . 1 1 38 38 THR HA H 38 4.425 4.425 4.634 -0.209 18684 512 1 10 . 1 1 38 38 THR H H 38 7.704 7.704 7.874 -0.170 18684 513 1 10 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.669 -0.109 18684 514 1 10 . 1 1 39 39 LYS H H 39 8.647 8.647 8.162 0.485 18684 515 1 10 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.788 0.334 18684 516 1 10 . 1 1 40 40 CYS H H 40 8.233 8.233 8.215 0.018 18684 517 1 10 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.069 0.480 18684 518 1 10 . 1 1 41 41 CYS H H 41 9.626 9.626 8.033 1.593 18684 519 1 10 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.324 0.380 18684 520 1 10 . 1 1 42 42 LYS H H 42 9.852 9.852 8.469 1.383 18684 521 1 11 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.145 0.029 18684 522 1 11 . 1 1 6 6 LEU H H 6 8.323 8.323 7.659 0.664 18684 523 1 11 . 1 1 7 7 GLN H H 7 8.555 8.555 8.959 -0.404 18684 524 1 11 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.419 -0.239 18684 525 1 11 . 1 1 8 8 LYS H H 8 8.130 8.130 8.474 -0.344 18684 526 1 11 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.417 -0.346 18684 527 1 11 . 1 1 9 9 TYR H H 9 8.004 8.004 9.054 -1.050 18684 528 1 11 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.305 0.096 18684 529 1 11 . 1 1 10 10 TYR H H 10 7.862 7.862 7.581 0.281 18684 530 1 11 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.137 0.175 18684 531 1 11 . 1 1 11 11 CYS H H 11 8.217 8.217 8.084 0.133 18684 532 1 11 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.226 1.478 18684 533 1 11 . 1 1 18 18 CYS H H 18 8.704 8.704 8.579 0.125 18684 534 1 11 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.601 0.327 18684 535 1 11 . 1 1 19 19 HIS H H 19 9.728 9.728 8.382 1.346 18684 536 1 11 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.626 -0.184 18684 537 1 11 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.753 -0.434 18684 538 1 11 . 1 1 21 21 VAL H H 21 8.753 8.753 8.660 0.093 18684 539 1 11 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.024 -0.109 18684 540 1 11 . 1 1 22 22 PHE H H 22 9.353 9.353 8.332 1.021 18684 541 1 11 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.616 0.409 18684 542 1 11 . 1 1 23 23 CYS H H 23 8.997 8.997 7.932 1.065 18684 543 1 11 . 1 1 24 24 PRO HA H 24 4.324 4.324 3.997 0.327 18684 544 1 11 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.328 0.715 18684 545 1 11 . 1 1 25 25 ARG H H 25 8.414 8.414 7.822 0.592 18684 546 1 11 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.065 -0.195 18684 547 1 11 . 1 1 26 26 ARG H H 26 8.633 8.633 8.183 0.450 18684 548 1 11 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.265 0.354 18684 549 1 11 . 1 1 27 27 TYR H H 27 8.402 8.402 7.308 1.094 18684 550 1 11 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.250 0.362 18684 551 1 11 . 1 1 28 28 LYS H H 28 8.688 8.688 7.861 0.827 18684 552 1 11 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.091 0.777 18684 553 1 11 . 1 1 29 29 GLN H H 29 9.094 9.094 8.546 0.548 18684 554 1 11 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.392 0.354 18684 555 1 11 . 1 1 30 30 ILE H H 30 8.899 8.899 8.733 0.166 18684 556 1 11 . 1 1 31 31 GLY H H 31 7.660 7.660 7.497 0.163 18684 557 1 11 . 1 1 32 32 THR HA H 32 4.985 4.985 4.581 0.404 18684 558 1 11 . 1 1 32 32 THR H H 32 8.846 8.846 8.034 0.812 18684 559 1 11 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.205 -0.313 18684 560 1 11 . 1 1 33 33 CYS H H 33 7.634 7.634 8.469 -0.835 18684 561 1 11 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.471 -0.198 18684 562 1 11 . 1 1 37 37 GLY H H 37 8.475 8.475 8.215 0.260 18684 563 1 11 . 1 1 38 38 THR HA H 38 4.425 4.425 4.803 -0.378 18684 564 1 11 . 1 1 38 38 THR H H 38 7.704 7.704 7.619 0.085 18684 565 1 11 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.747 -0.187 18684 566 1 11 . 1 1 39 39 LYS H H 39 8.647 8.647 8.236 0.411 18684 567 1 11 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.455 0.667 18684 568 1 11 . 1 1 40 40 CYS H H 40 8.233 8.233 7.856 0.377 18684 569 1 11 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.037 0.512 18684 570 1 11 . 1 1 41 41 CYS H H 41 9.626 9.626 8.018 1.608 18684 571 1 11 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.210 0.494 18684 572 1 11 . 1 1 42 42 LYS H H 42 9.852 9.852 8.454 1.398 18684 573 1 12 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.065 0.109 18684 574 1 12 . 1 1 6 6 LEU H H 6 8.323 8.323 8.533 -0.210 18684 575 1 12 . 1 1 7 7 GLN H H 7 8.555 8.555 9.010 -0.455 18684 576 1 12 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.371 -0.191 18684 577 1 12 . 1 1 8 8 LYS H H 8 8.130 8.130 8.453 -0.323 18684 578 1 12 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.319 -0.248 18684 579 1 12 . 1 1 9 9 TYR H H 9 8.004 8.004 9.000 -0.996 18684 580 1 12 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.525 -0.124 18684 581 1 12 . 1 1 10 10 TYR H H 10 7.862 7.862 7.659 0.203 18684 582 1 12 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.033 0.279 18684 583 1 12 . 1 1 11 11 CYS H H 11 8.217 8.217 8.131 0.086 18684 584 1 12 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.188 1.516 18684 585 1 12 . 1 1 18 18 CYS H H 18 8.704 8.704 8.559 0.145 18684 586 1 12 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.635 0.293 18684 587 1 12 . 1 1 19 19 HIS H H 19 9.728 9.728 8.316 1.412 18684 588 1 12 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.662 -0.220 18684 589 1 12 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.737 -0.418 18684 590 1 12 . 1 1 21 21 VAL H H 21 8.753 8.753 8.643 0.110 18684 591 1 12 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.907 0.008 18684 592 1 12 . 1 1 22 22 PHE H H 22 9.353 9.353 8.266 1.087 18684 593 1 12 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.602 0.423 18684 594 1 12 . 1 1 23 23 CYS H H 23 8.997 8.997 7.959 1.038 18684 595 1 12 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.032 0.292 18684 596 1 12 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.321 0.722 18684 597 1 12 . 1 1 25 25 ARG H H 25 8.414 8.414 7.652 0.762 18684 598 1 12 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.980 -0.110 18684 599 1 12 . 1 1 26 26 ARG H H 26 8.633 8.633 8.373 0.260 18684 600 1 12 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.277 0.342 18684 601 1 12 . 1 1 27 27 TYR H H 27 8.402 8.402 7.152 1.250 18684 602 1 12 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.392 0.220 18684 603 1 12 . 1 1 28 28 LYS H H 28 8.688 8.688 8.278 0.410 18684 604 1 12 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.757 1.111 18684 605 1 12 . 1 1 29 29 GLN H H 29 9.094 9.094 8.470 0.624 18684 606 1 12 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.337 0.409 18684 607 1 12 . 1 1 30 30 ILE H H 30 8.899 8.899 8.597 0.302 18684 608 1 12 . 1 1 31 31 GLY H H 31 7.660 7.660 7.444 0.216 18684 609 1 12 . 1 1 32 32 THR HA H 32 4.985 4.985 4.513 0.472 18684 610 1 12 . 1 1 32 32 THR H H 32 8.846 8.846 8.090 0.756 18684 611 1 12 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.088 -0.196 18684 612 1 12 . 1 1 33 33 CYS H H 33 7.634 7.634 8.456 -0.822 18684 613 1 12 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.553 -0.280 18684 614 1 12 . 1 1 37 37 GLY H H 37 8.475 8.475 8.007 0.468 18684 615 1 12 . 1 1 38 38 THR HA H 38 4.425 4.425 4.716 -0.291 18684 616 1 12 . 1 1 38 38 THR H H 38 7.704 7.704 7.656 0.048 18684 617 1 12 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.781 -0.221 18684 618 1 12 . 1 1 39 39 LYS H H 39 8.647 8.647 8.289 0.358 18684 619 1 12 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.587 0.535 18684 620 1 12 . 1 1 40 40 CYS H H 40 8.233 8.233 7.877 0.356 18684 621 1 12 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.564 0.985 18684 622 1 12 . 1 1 41 41 CYS H H 41 9.626 9.626 8.160 1.466 18684 623 1 12 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.016 0.688 18684 624 1 12 . 1 1 42 42 LYS H H 42 9.852 9.852 8.537 1.315 18684 625 1 13 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.601 -0.427 18684 626 1 13 . 1 1 6 6 LEU H H 6 8.323 8.323 7.569 0.754 18684 627 1 13 . 1 1 7 7 GLN H H 7 8.555 8.555 8.850 -0.295 18684 628 1 13 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.277 -0.097 18684 629 1 13 . 1 1 8 8 LYS H H 8 8.130 8.130 8.662 -0.532 18684 630 1 13 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.337 -0.266 18684 631 1 13 . 1 1 9 9 TYR H H 9 8.004 8.004 8.766 -0.762 18684 632 1 13 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.416 -0.015 18684 633 1 13 . 1 1 10 10 TYR H H 10 7.862 7.862 7.689 0.173 18684 634 1 13 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.103 0.209 18684 635 1 13 . 1 1 11 11 CYS H H 11 8.217 8.217 7.914 0.303 18684 636 1 13 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.104 1.600 18684 637 1 13 . 1 1 18 18 CYS H H 18 8.704 8.704 7.872 0.832 18684 638 1 13 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.305 0.623 18684 639 1 13 . 1 1 19 19 HIS H H 19 9.728 9.728 8.133 1.595 18684 640 1 13 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.593 -0.151 18684 641 1 13 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.705 -0.386 18684 642 1 13 . 1 1 21 21 VAL H H 21 8.753 8.753 8.593 0.160 18684 643 1 13 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.946 -0.031 18684 644 1 13 . 1 1 22 22 PHE H H 22 9.353 9.353 8.229 1.124 18684 645 1 13 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.404 0.621 18684 646 1 13 . 1 1 23 23 CYS H H 23 8.997 8.997 7.721 1.276 18684 647 1 13 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.027 0.297 18684 648 1 13 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.208 0.835 18684 649 1 13 . 1 1 25 25 ARG H H 25 8.414 8.414 7.799 0.615 18684 650 1 13 . 1 1 26 26 ARG HA H 26 3.870 3.870 3.967 -0.097 18684 651 1 13 . 1 1 26 26 ARG H H 26 8.633 8.633 8.616 0.017 18684 652 1 13 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.311 0.308 18684 653 1 13 . 1 1 27 27 TYR H H 27 8.402 8.402 7.226 1.176 18684 654 1 13 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.270 0.342 18684 655 1 13 . 1 1 28 28 LYS H H 28 8.688 8.688 8.038 0.650 18684 656 1 13 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.903 0.965 18684 657 1 13 . 1 1 29 29 GLN H H 29 9.094 9.094 8.194 0.900 18684 658 1 13 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.289 0.457 18684 659 1 13 . 1 1 30 30 ILE H H 30 8.899 8.899 8.286 0.613 18684 660 1 13 . 1 1 31 31 GLY H H 31 7.660 7.660 7.513 0.147 18684 661 1 13 . 1 1 32 32 THR HA H 32 4.985 4.985 4.511 0.474 18684 662 1 13 . 1 1 32 32 THR H H 32 8.846 8.846 8.025 0.821 18684 663 1 13 . 1 1 33 33 CYS HA H 33 4.892 4.892 4.930 -0.038 18684 664 1 13 . 1 1 33 33 CYS H H 33 7.634 7.634 8.322 -0.688 18684 665 1 13 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.479 -0.206 18684 666 1 13 . 1 1 37 37 GLY H H 37 8.475 8.475 8.257 0.218 18684 667 1 13 . 1 1 38 38 THR HA H 38 4.425 4.425 4.671 -0.246 18684 668 1 13 . 1 1 38 38 THR H H 38 7.704 7.704 7.937 -0.233 18684 669 1 13 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.890 -0.330 18684 670 1 13 . 1 1 39 39 LYS H H 39 8.647 8.647 8.068 0.579 18684 671 1 13 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.508 0.614 18684 672 1 13 . 1 1 40 40 CYS H H 40 8.233 8.233 8.147 0.086 18684 673 1 13 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.616 0.933 18684 674 1 13 . 1 1 41 41 CYS H H 41 9.626 9.626 8.129 1.497 18684 675 1 13 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.125 0.579 18684 676 1 13 . 1 1 42 42 LYS H H 42 9.852 9.852 8.673 1.179 18684 677 1 14 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.189 -0.015 18684 678 1 14 . 1 1 6 6 LEU H H 6 8.323 8.323 8.427 -0.104 18684 679 1 14 . 1 1 7 7 GLN H H 7 8.555 8.555 8.930 -0.375 18684 680 1 14 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.536 -0.356 18684 681 1 14 . 1 1 8 8 LYS H H 8 8.130 8.130 8.384 -0.254 18684 682 1 14 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.599 -0.528 18684 683 1 14 . 1 1 9 9 TYR H H 9 8.004 8.004 8.922 -0.918 18684 684 1 14 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.395 0.006 18684 685 1 14 . 1 1 10 10 TYR H H 10 7.862 7.862 7.525 0.337 18684 686 1 14 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.198 0.114 18684 687 1 14 . 1 1 11 11 CYS H H 11 8.217 8.217 7.976 0.241 18684 688 1 14 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.123 1.581 18684 689 1 14 . 1 1 18 18 CYS H H 18 8.704 8.704 8.718 -0.014 18684 690 1 14 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.392 0.536 18684 691 1 14 . 1 1 19 19 HIS H H 19 9.728 9.728 8.282 1.446 18684 692 1 14 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.619 -0.177 18684 693 1 14 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.755 -0.436 18684 694 1 14 . 1 1 21 21 VAL H H 21 8.753 8.753 8.642 0.111 18684 695 1 14 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.763 0.152 18684 696 1 14 . 1 1 22 22 PHE H H 22 9.353 9.353 8.143 1.210 18684 697 1 14 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.609 0.416 18684 698 1 14 . 1 1 23 23 CYS H H 23 8.997 8.997 7.967 1.030 18684 699 1 14 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.004 0.320 18684 700 1 14 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.239 0.804 18684 701 1 14 . 1 1 25 25 ARG H H 25 8.414 8.414 7.681 0.733 18684 702 1 14 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.047 -0.177 18684 703 1 14 . 1 1 26 26 ARG H H 26 8.633 8.633 8.238 0.395 18684 704 1 14 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.397 0.222 18684 705 1 14 . 1 1 27 27 TYR H H 27 8.402 8.402 7.153 1.249 18684 706 1 14 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.286 0.326 18684 707 1 14 . 1 1 28 28 LYS H H 28 8.688 8.688 8.056 0.632 18684 708 1 14 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.807 1.061 18684 709 1 14 . 1 1 29 29 GLN H H 29 9.094 9.094 8.590 0.504 18684 710 1 14 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.265 0.481 18684 711 1 14 . 1 1 30 30 ILE H H 30 8.899 8.899 8.351 0.548 18684 712 1 14 . 1 1 31 31 GLY H H 31 7.660 7.660 7.566 0.094 18684 713 1 14 . 1 1 32 32 THR HA H 32 4.985 4.985 4.506 0.479 18684 714 1 14 . 1 1 32 32 THR H H 32 8.846 8.846 8.171 0.675 18684 715 1 14 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.175 -0.283 18684 716 1 14 . 1 1 33 33 CYS H H 33 7.634 7.634 8.211 -0.577 18684 717 1 14 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.411 -0.138 18684 718 1 14 . 1 1 37 37 GLY H H 37 8.475 8.475 8.337 0.138 18684 719 1 14 . 1 1 38 38 THR HA H 38 4.425 4.425 4.707 -0.282 18684 720 1 14 . 1 1 38 38 THR H H 38 7.704 7.704 7.762 -0.058 18684 721 1 14 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.761 -0.201 18684 722 1 14 . 1 1 39 39 LYS H H 39 8.647 8.647 8.399 0.248 18684 723 1 14 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.546 0.576 18684 724 1 14 . 1 1 40 40 CYS H H 40 8.233 8.233 8.222 0.011 18684 725 1 14 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.955 0.594 18684 726 1 14 . 1 1 41 41 CYS H H 41 9.626 9.626 8.176 1.450 18684 727 1 14 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.447 0.257 18684 728 1 14 . 1 1 42 42 LYS H H 42 9.852 9.852 8.514 1.338 18684 729 1 15 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.512 -0.338 18684 730 1 15 . 1 1 6 6 LEU H H 6 8.323 8.323 7.734 0.589 18684 731 1 15 . 1 1 7 7 GLN H H 7 8.555 8.555 8.919 -0.364 18684 732 1 15 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.224 -0.044 18684 733 1 15 . 1 1 8 8 LYS H H 8 8.130 8.130 8.345 -0.215 18684 734 1 15 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.242 -0.171 18684 735 1 15 . 1 1 9 9 TYR H H 9 8.004 8.004 8.959 -0.955 18684 736 1 15 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.378 0.023 18684 737 1 15 . 1 1 10 10 TYR H H 10 7.862 7.862 7.515 0.347 18684 738 1 15 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.133 0.179 18684 739 1 15 . 1 1 11 11 CYS H H 11 8.217 8.217 8.070 0.147 18684 740 1 15 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.478 1.226 18684 741 1 15 . 1 1 18 18 CYS H H 18 8.704 8.704 7.527 1.177 18684 742 1 15 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.437 0.491 18684 743 1 15 . 1 1 19 19 HIS H H 19 9.728 9.728 8.304 1.424 18684 744 1 15 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.672 -0.230 18684 745 1 15 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.719 -0.400 18684 746 1 15 . 1 1 21 21 VAL H H 21 8.753 8.753 8.480 0.273 18684 747 1 15 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.870 0.045 18684 748 1 15 . 1 1 22 22 PHE H H 22 9.353 9.353 8.297 1.056 18684 749 1 15 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.198 0.827 18684 750 1 15 . 1 1 23 23 CYS H H 23 8.997 8.997 7.637 1.360 18684 751 1 15 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.064 0.260 18684 752 1 15 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.249 0.794 18684 753 1 15 . 1 1 25 25 ARG H H 25 8.414 8.414 7.753 0.661 18684 754 1 15 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.062 -0.192 18684 755 1 15 . 1 1 26 26 ARG H H 26 8.633 8.633 8.152 0.481 18684 756 1 15 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.261 0.358 18684 757 1 15 . 1 1 27 27 TYR H H 27 8.402 8.402 7.350 1.052 18684 758 1 15 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.271 0.341 18684 759 1 15 . 1 1 28 28 LYS H H 28 8.688 8.688 7.728 0.960 18684 760 1 15 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.206 0.662 18684 761 1 15 . 1 1 29 29 GLN H H 29 9.094 9.094 8.560 0.534 18684 762 1 15 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.405 0.341 18684 763 1 15 . 1 1 30 30 ILE H H 30 8.899 8.899 8.417 0.482 18684 764 1 15 . 1 1 31 31 GLY H H 31 7.660 7.660 7.432 0.228 18684 765 1 15 . 1 1 32 32 THR HA H 32 4.985 4.985 4.431 0.554 18684 766 1 15 . 1 1 32 32 THR H H 32 8.846 8.846 8.347 0.499 18684 767 1 15 . 1 1 33 33 CYS HA H 33 4.892 4.892 4.797 0.095 18684 768 1 15 . 1 1 33 33 CYS H H 33 7.634 7.634 8.430 -0.796 18684 769 1 15 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.383 -0.110 18684 770 1 15 . 1 1 37 37 GLY H H 37 8.475 8.475 8.258 0.217 18684 771 1 15 . 1 1 38 38 THR HA H 38 4.425 4.425 4.586 -0.161 18684 772 1 15 . 1 1 38 38 THR H H 38 7.704 7.704 7.883 -0.179 18684 773 1 15 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.844 -0.284 18684 774 1 15 . 1 1 39 39 LYS H H 39 8.647 8.647 8.110 0.537 18684 775 1 15 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.622 0.500 18684 776 1 15 . 1 1 40 40 CYS H H 40 8.233 8.233 7.993 0.240 18684 777 1 15 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.109 0.440 18684 778 1 15 . 1 1 41 41 CYS H H 41 9.626 9.626 7.887 1.739 18684 779 1 15 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.072 0.632 18684 780 1 15 . 1 1 42 42 LYS H H 42 9.852 9.852 8.353 1.499 18684 781 1 16 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.015 0.159 18684 782 1 16 . 1 1 6 6 LEU H H 6 8.323 8.323 8.546 -0.223 18684 783 1 16 . 1 1 7 7 GLN H H 7 8.555 8.555 8.618 -0.063 18684 784 1 16 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.401 -0.221 18684 785 1 16 . 1 1 8 8 LYS H H 8 8.130 8.130 8.666 -0.536 18684 786 1 16 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.411 -0.340 18684 787 1 16 . 1 1 9 9 TYR H H 9 8.004 8.004 8.798 -0.794 18684 788 1 16 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.398 0.003 18684 789 1 16 . 1 1 10 10 TYR H H 10 7.862 7.862 7.642 0.220 18684 790 1 16 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.169 0.143 18684 791 1 16 . 1 1 11 11 CYS H H 11 8.217 8.217 8.390 -0.173 18684 792 1 16 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.042 1.662 18684 793 1 16 . 1 1 18 18 CYS H H 18 8.704 8.704 8.384 0.320 18684 794 1 16 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.718 0.210 18684 795 1 16 . 1 1 19 19 HIS H H 19 9.728 9.728 8.207 1.521 18684 796 1 16 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.631 -0.189 18684 797 1 16 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.753 -0.434 18684 798 1 16 . 1 1 21 21 VAL H H 21 8.753 8.753 8.636 0.117 18684 799 1 16 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.929 -0.014 18684 800 1 16 . 1 1 22 22 PHE H H 22 9.353 9.353 8.188 1.165 18684 801 1 16 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.445 0.580 18684 802 1 16 . 1 1 23 23 CYS H H 23 8.997 8.997 7.674 1.323 18684 803 1 16 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.045 0.279 18684 804 1 16 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.251 0.792 18684 805 1 16 . 1 1 25 25 ARG H H 25 8.414 8.414 7.791 0.623 18684 806 1 16 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.051 -0.181 18684 807 1 16 . 1 1 26 26 ARG H H 26 8.633 8.633 8.155 0.478 18684 808 1 16 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.271 0.348 18684 809 1 16 . 1 1 27 27 TYR H H 27 8.402 8.402 7.194 1.208 18684 810 1 16 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.257 0.355 18684 811 1 16 . 1 1 28 28 LYS H H 28 8.688 8.688 8.000 0.688 18684 812 1 16 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.028 0.840 18684 813 1 16 . 1 1 29 29 GLN H H 29 9.094 9.094 8.625 0.469 18684 814 1 16 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.409 0.337 18684 815 1 16 . 1 1 30 30 ILE H H 30 8.899 8.899 8.644 0.255 18684 816 1 16 . 1 1 31 31 GLY H H 31 7.660 7.660 7.572 0.088 18684 817 1 16 . 1 1 32 32 THR HA H 32 4.985 4.985 4.701 0.284 18684 818 1 16 . 1 1 32 32 THR H H 32 8.846 8.846 8.089 0.757 18684 819 1 16 . 1 1 33 33 CYS HA H 33 4.892 4.892 4.973 -0.081 18684 820 1 16 . 1 1 33 33 CYS H H 33 7.634 7.634 8.800 -1.166 18684 821 1 16 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.398 -0.125 18684 822 1 16 . 1 1 37 37 GLY H H 37 8.475 8.475 8.364 0.111 18684 823 1 16 . 1 1 38 38 THR HA H 38 4.425 4.425 4.607 -0.182 18684 824 1 16 . 1 1 38 38 THR H H 38 7.704 7.704 7.823 -0.119 18684 825 1 16 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.627 -0.067 18684 826 1 16 . 1 1 39 39 LYS H H 39 8.647 8.647 8.147 0.500 18684 827 1 16 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.577 0.545 18684 828 1 16 . 1 1 40 40 CYS H H 40 8.233 8.233 8.142 0.091 18684 829 1 16 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.190 0.359 18684 830 1 16 . 1 1 41 41 CYS H H 41 9.626 9.626 7.868 1.758 18684 831 1 16 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.079 0.625 18684 832 1 16 . 1 1 42 42 LYS H H 42 9.852 9.852 8.564 1.288 18684 833 1 17 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.490 -0.316 18684 834 1 17 . 1 1 6 6 LEU H H 6 8.323 8.323 7.806 0.517 18684 835 1 17 . 1 1 7 7 GLN H H 7 8.555 8.555 8.803 -0.248 18684 836 1 17 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.240 -0.060 18684 837 1 17 . 1 1 8 8 LYS H H 8 8.130 8.130 8.522 -0.392 18684 838 1 17 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.276 -0.205 18684 839 1 17 . 1 1 9 9 TYR H H 9 8.004 8.004 8.791 -0.787 18684 840 1 17 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.438 -0.037 18684 841 1 17 . 1 1 10 10 TYR H H 10 7.862 7.862 7.624 0.238 18684 842 1 17 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.059 0.253 18684 843 1 17 . 1 1 11 11 CYS H H 11 8.217 8.217 7.952 0.265 18684 844 1 17 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.126 1.578 18684 845 1 17 . 1 1 18 18 CYS H H 18 8.704 8.704 8.771 -0.067 18684 846 1 17 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.438 0.490 18684 847 1 17 . 1 1 19 19 HIS H H 19 9.728 9.728 8.278 1.450 18684 848 1 17 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.623 -0.181 18684 849 1 17 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.744 -0.425 18684 850 1 17 . 1 1 21 21 VAL H H 21 8.753 8.753 8.562 0.191 18684 851 1 17 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.785 0.130 18684 852 1 17 . 1 1 22 22 PHE H H 22 9.353 9.353 8.153 1.200 18684 853 1 17 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.585 0.440 18684 854 1 17 . 1 1 23 23 CYS H H 23 8.997 8.997 8.018 0.978 18684 855 1 17 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.069 0.255 18684 856 1 17 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.252 0.791 18684 857 1 17 . 1 1 25 25 ARG H H 25 8.414 8.414 7.484 0.930 18684 858 1 17 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.007 -0.137 18684 859 1 17 . 1 1 26 26 ARG H H 26 8.633 8.633 8.423 0.210 18684 860 1 17 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.295 0.324 18684 861 1 17 . 1 1 27 27 TYR H H 27 8.402 8.402 7.300 1.102 18684 862 1 17 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.308 0.304 18684 863 1 17 . 1 1 28 28 LYS H H 28 8.688 8.688 8.081 0.607 18684 864 1 17 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.808 1.060 18684 865 1 17 . 1 1 29 29 GLN H H 29 9.094 9.094 8.507 0.587 18684 866 1 17 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.322 0.424 18684 867 1 17 . 1 1 30 30 ILE H H 30 8.899 8.899 8.536 0.363 18684 868 1 17 . 1 1 31 31 GLY H H 31 7.660 7.660 7.355 0.305 18684 869 1 17 . 1 1 32 32 THR HA H 32 4.985 4.985 4.343 0.642 18684 870 1 17 . 1 1 32 32 THR H H 32 8.846 8.846 7.925 0.921 18684 871 1 17 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.192 -0.300 18684 872 1 17 . 1 1 33 33 CYS H H 33 7.634 7.634 8.104 -0.470 18684 873 1 17 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.405 -0.132 18684 874 1 17 . 1 1 37 37 GLY H H 37 8.475 8.475 8.327 0.148 18684 875 1 17 . 1 1 38 38 THR HA H 38 4.425 4.425 4.813 -0.388 18684 876 1 17 . 1 1 38 38 THR H H 38 7.704 7.704 7.686 0.018 18684 877 1 17 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.849 -0.289 18684 878 1 17 . 1 1 39 39 LYS H H 39 8.647 8.647 8.413 0.234 18684 879 1 17 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.508 0.614 18684 880 1 17 . 1 1 40 40 CYS H H 40 8.233 8.233 8.208 0.025 18684 881 1 17 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.579 0.970 18684 882 1 17 . 1 1 41 41 CYS H H 41 9.626 9.626 8.148 1.478 18684 883 1 17 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.145 0.559 18684 884 1 17 . 1 1 42 42 LYS H H 42 9.852 9.852 8.524 1.328 18684 885 1 18 . 1 1 6 6 LEU HA H 6 4.174 4.174 3.928 0.246 18684 886 1 18 . 1 1 6 6 LEU H H 6 8.323 8.323 7.536 0.787 18684 887 1 18 . 1 1 7 7 GLN H H 7 8.555 8.555 8.659 -0.104 18684 888 1 18 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.411 -0.231 18684 889 1 18 . 1 1 8 8 LYS H H 8 8.130 8.130 8.261 -0.131 18684 890 1 18 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.320 -0.249 18684 891 1 18 . 1 1 9 9 TYR H H 9 8.004 8.004 8.995 -0.991 18684 892 1 18 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.394 0.007 18684 893 1 18 . 1 1 10 10 TYR H H 10 7.862 7.862 7.395 0.467 18684 894 1 18 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.123 0.189 18684 895 1 18 . 1 1 11 11 CYS H H 11 8.217 8.217 8.061 0.156 18684 896 1 18 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.157 1.547 18684 897 1 18 . 1 1 18 18 CYS H H 18 8.704 8.704 8.548 0.156 18684 898 1 18 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.565 0.363 18684 899 1 18 . 1 1 19 19 HIS H H 19 9.728 9.728 8.277 1.451 18684 900 1 18 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.659 -0.217 18684 901 1 18 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.720 -0.401 18684 902 1 18 . 1 1 21 21 VAL H H 21 8.753 8.753 8.601 0.152 18684 903 1 18 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.015 -0.100 18684 904 1 18 . 1 1 22 22 PHE H H 22 9.353 9.353 8.352 1.001 18684 905 1 18 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.310 0.715 18684 906 1 18 . 1 1 23 23 CYS H H 23 8.997 8.997 7.785 1.212 18684 907 1 18 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.043 0.281 18684 908 1 18 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.258 0.785 18684 909 1 18 . 1 1 25 25 ARG H H 25 8.414 8.414 7.752 0.662 18684 910 1 18 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.003 -0.133 18684 911 1 18 . 1 1 26 26 ARG H H 26 8.633 8.633 8.416 0.217 18684 912 1 18 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.317 0.302 18684 913 1 18 . 1 1 27 27 TYR H H 27 8.402 8.402 7.389 1.013 18684 914 1 18 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.371 0.241 18684 915 1 18 . 1 1 28 28 LYS H H 28 8.688 8.688 7.810 0.878 18684 916 1 18 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.018 0.850 18684 917 1 18 . 1 1 29 29 GLN H H 29 9.094 9.094 8.558 0.536 18684 918 1 18 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.522 0.224 18684 919 1 18 . 1 1 30 30 ILE H H 30 8.899 8.899 8.563 0.336 18684 920 1 18 . 1 1 31 31 GLY H H 31 7.660 7.660 7.429 0.231 18684 921 1 18 . 1 1 32 32 THR HA H 32 4.985 4.985 4.630 0.355 18684 922 1 18 . 1 1 32 32 THR H H 32 8.846 8.846 7.993 0.853 18684 923 1 18 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.130 -0.238 18684 924 1 18 . 1 1 33 33 CYS H H 33 7.634 7.634 8.674 -1.040 18684 925 1 18 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.599 -0.326 18684 926 1 18 . 1 1 37 37 GLY H H 37 8.475 8.475 8.170 0.305 18684 927 1 18 . 1 1 38 38 THR HA H 38 4.425 4.425 4.755 -0.330 18684 928 1 18 . 1 1 38 38 THR H H 38 7.704 7.704 7.700 0.004 18684 929 1 18 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.819 -0.259 18684 930 1 18 . 1 1 39 39 LYS H H 39 8.647 8.647 8.263 0.384 18684 931 1 18 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.597 0.525 18684 932 1 18 . 1 1 40 40 CYS H H 40 8.233 8.233 8.260 -0.027 18684 933 1 18 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.070 0.479 18684 934 1 18 . 1 1 41 41 CYS H H 41 9.626 9.626 7.848 1.778 18684 935 1 18 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.178 0.525 18684 936 1 18 . 1 1 42 42 LYS H H 42 9.852 9.852 8.457 1.395 18684 937 1 19 . 1 1 6 6 LEU HA H 6 4.174 4.174 3.910 0.264 18684 938 1 19 . 1 1 6 6 LEU H H 6 8.323 8.323 8.492 -0.169 18684 939 1 19 . 1 1 7 7 GLN H H 7 8.555 8.555 9.016 -0.461 18684 940 1 19 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.438 -0.258 18684 941 1 19 . 1 1 8 8 LYS H H 8 8.130 8.130 8.481 -0.351 18684 942 1 19 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.261 -0.190 18684 943 1 19 . 1 1 9 9 TYR H H 9 8.004 8.004 9.019 -1.015 18684 944 1 19 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.419 -0.018 18684 945 1 19 . 1 1 10 10 TYR H H 10 7.862 7.862 7.576 0.286 18684 946 1 19 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.202 0.110 18684 947 1 19 . 1 1 11 11 CYS H H 11 8.217 8.217 8.030 0.187 18684 948 1 19 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.543 1.161 18684 949 1 19 . 1 1 18 18 CYS H H 18 8.704 8.704 7.455 1.249 18684 950 1 19 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.468 0.460 18684 951 1 19 . 1 1 19 19 HIS H H 19 9.728 9.728 8.395 1.333 18684 952 1 19 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.625 -0.183 18684 953 1 19 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.747 -0.428 18684 954 1 19 . 1 1 21 21 VAL H H 21 8.753 8.753 8.624 0.129 18684 955 1 19 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.878 0.037 18684 956 1 19 . 1 1 22 22 PHE H H 22 9.353 9.353 8.320 1.033 18684 957 1 19 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.219 0.806 18684 958 1 19 . 1 1 23 23 CYS H H 23 8.997 8.997 7.566 1.431 18684 959 1 19 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.123 0.201 18684 960 1 19 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.236 0.807 18684 961 1 19 . 1 1 25 25 ARG H H 25 8.414 8.414 7.695 0.719 18684 962 1 19 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.004 -0.134 18684 963 1 19 . 1 1 26 26 ARG H H 26 8.633 8.633 8.421 0.212 18684 964 1 19 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.330 0.289 18684 965 1 19 . 1 1 27 27 TYR H H 27 8.402 8.402 7.227 1.175 18684 966 1 19 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.455 0.157 18684 967 1 19 . 1 1 28 28 LYS H H 28 8.688 8.688 7.953 0.735 18684 968 1 19 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.871 0.997 18684 969 1 19 . 1 1 29 29 GLN H H 29 9.094 9.094 8.741 0.353 18684 970 1 19 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.369 0.377 18684 971 1 19 . 1 1 30 30 ILE H H 30 8.899 8.899 8.706 0.193 18684 972 1 19 . 1 1 31 31 GLY H H 31 7.660 7.660 7.520 0.140 18684 973 1 19 . 1 1 32 32 THR HA H 32 4.985 4.985 4.609 0.376 18684 974 1 19 . 1 1 32 32 THR H H 32 8.846 8.846 8.257 0.589 18684 975 1 19 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.023 -0.131 18684 976 1 19 . 1 1 33 33 CYS H H 33 7.634 7.634 8.274 -0.640 18684 977 1 19 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.406 -0.133 18684 978 1 19 . 1 1 37 37 GLY H H 37 8.475 8.475 8.316 0.159 18684 979 1 19 . 1 1 38 38 THR HA H 38 4.425 4.425 4.727 -0.302 18684 980 1 19 . 1 1 38 38 THR H H 38 7.704 7.704 7.810 -0.106 18684 981 1 19 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.900 -0.340 18684 982 1 19 . 1 1 39 39 LYS H H 39 8.647 8.647 8.426 0.221 18684 983 1 19 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.723 0.399 18684 984 1 19 . 1 1 40 40 CYS H H 40 8.233 8.233 8.138 0.095 18684 985 1 19 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.231 0.318 18684 986 1 19 . 1 1 41 41 CYS H H 41 9.626 9.626 7.775 1.851 18684 987 1 19 . 1 1 42 42 LYS HA H 42 4.704 4.704 3.951 0.753 18684 988 1 19 . 1 1 42 42 LYS H H 42 9.852 9.852 8.135 1.717 18684 989 1 20 . 1 1 6 6 LEU HA H 6 4.174 4.174 4.514 -0.340 18684 990 1 20 . 1 1 6 6 LEU H H 6 8.323 8.323 7.660 0.663 18684 991 1 20 . 1 1 7 7 GLN H H 7 8.555 8.555 8.854 -0.299 18684 992 1 20 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.512 -0.332 18684 993 1 20 . 1 1 8 8 LYS H H 8 8.130 8.130 8.444 -0.314 18684 994 1 20 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.409 -0.338 18684 995 1 20 . 1 1 9 9 TYR H H 9 8.004 8.004 8.958 -0.954 18684 996 1 20 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.431 -0.030 18684 997 1 20 . 1 1 10 10 TYR H H 10 7.862 7.862 7.679 0.183 18684 998 1 20 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.193 0.119 18684 999 1 20 . 1 1 11 11 CYS H H 11 8.217 8.217 8.152 0.065 18684 1000 1 20 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.530 1.174 18684 1001 1 20 . 1 1 18 18 CYS H H 18 8.704 8.704 7.524 1.180 18684 1002 1 20 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.611 0.317 18684 1003 1 20 . 1 1 19 19 HIS H H 19 9.728 9.728 8.295 1.433 18684 1004 1 20 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.631 -0.189 18684 1005 1 20 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.726 -0.407 18684 1006 1 20 . 1 1 21 21 VAL H H 21 8.753 8.753 8.622 0.131 18684 1007 1 20 . 1 1 22 22 PHE HA H 22 4.915 4.915 5.261 -0.346 18684 1008 1 20 . 1 1 22 22 PHE H H 22 9.353 9.353 8.277 1.076 18684 1009 1 20 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.469 0.556 18684 1010 1 20 . 1 1 23 23 CYS H H 23 8.997 8.997 7.881 1.116 18684 1011 1 20 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.079 0.245 18684 1012 1 20 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.303 0.740 18684 1013 1 20 . 1 1 25 25 ARG H H 25 8.414 8.414 7.830 0.584 18684 1014 1 20 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.025 -0.155 18684 1015 1 20 . 1 1 26 26 ARG H H 26 8.633 8.633 8.529 0.104 18684 1016 1 20 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.333 0.285 18684 1017 1 20 . 1 1 27 27 TYR H H 27 8.402 8.402 7.135 1.267 18684 1018 1 20 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.334 0.278 18684 1019 1 20 . 1 1 28 28 LYS H H 28 8.688 8.688 8.012 0.676 18684 1020 1 20 . 1 1 29 29 GLN HA H 29 4.868 4.868 4.272 0.596 18684 1021 1 20 . 1 1 29 29 GLN H H 29 9.094 9.094 8.678 0.416 18684 1022 1 20 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.559 0.187 18684 1023 1 20 . 1 1 30 30 ILE H H 30 8.899 8.899 8.558 0.341 18684 1024 1 20 . 1 1 31 31 GLY H H 31 7.660 7.660 7.621 0.039 18684 1025 1 20 . 1 1 32 32 THR HA H 32 4.985 4.985 4.528 0.457 18684 1026 1 20 . 1 1 32 32 THR H H 32 8.846 8.846 8.149 0.697 18684 1027 1 20 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.334 -0.442 18684 1028 1 20 . 1 1 33 33 CYS H H 33 7.634 7.634 8.699 -1.065 18684 1029 1 20 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.524 -0.251 18684 1030 1 20 . 1 1 37 37 GLY H H 37 8.475 8.475 8.567 -0.092 18684 1031 1 20 . 1 1 38 38 THR HA H 38 4.425 4.425 4.748 -0.323 18684 1032 1 20 . 1 1 38 38 THR H H 38 7.704 7.704 7.672 0.032 18684 1033 1 20 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.774 -0.214 18684 1034 1 20 . 1 1 39 39 LYS H H 39 8.647 8.647 8.071 0.576 18684 1035 1 20 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.704 0.418 18684 1036 1 20 . 1 1 40 40 CYS H H 40 8.233 8.233 8.107 0.126 18684 1037 1 20 . 1 1 41 41 CYS HA H 41 5.549 5.549 5.263 0.286 18684 1038 1 20 . 1 1 41 41 CYS H H 41 9.626 9.626 8.132 1.494 18684 1039 1 20 . 1 1 42 42 LYS HA H 42 4.704 4.704 3.987 0.717 18684 1040 1 20 . 1 1 42 42 LYS H H 42 9.852 9.852 8.659 1.193 18684 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 18684 2 1 1 "Average Difference" HA 30 0.451 -0.233 0.393 18684 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18684 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18684 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18684 6 1 1 "Average Difference" HN 26 0.800 -0.495 0.641 18684 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18684 8 1 2 "Average Difference" HA 30 0.454 -0.181 0.423 18684 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18684 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18684 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18684 12 1 2 "Average Difference" HN 26 0.803 -0.396 0.712 18684 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18684 14 1 3 "Average Difference" HA 30 0.432 -0.157 0.410 18684 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18684 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18684 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18684 18 1 3 "Average Difference" HN 26 0.850 -0.457 0.731 18684 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18684 20 1 4 "Average Difference" HA 30 0.513 -0.226 0.468 18684 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18684 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18684 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18684 24 1 4 "Average Difference" HN 26 0.816 -0.485 0.669 18684 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18684 26 1 5 "Average Difference" HA 30 0.496 -0.196 0.463 18684 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18684 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18684 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18684 30 1 5 "Average Difference" HN 26 0.718 -0.361 0.633 18684 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18684 32 1 6 "Average Difference" HA 30 0.462 -0.185 0.431 18684 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18684 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18684 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18684 36 1 6 "Average Difference" HN 26 0.742 -0.387 0.646 18684 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18684 38 1 7 "Average Difference" HA 30 0.421 -0.172 0.390 18684 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18684 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18684 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18684 42 1 7 "Average Difference" HN 26 0.799 -0.446 0.676 18684 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18684 44 1 8 "Average Difference" HA 30 0.467 -0.171 0.442 18684 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18684 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18684 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18684 48 1 8 "Average Difference" HN 26 0.805 -0.440 0.687 18684 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18684 50 1 9 "Average Difference" HA 30 0.429 -0.147 0.410 18684 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18684 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18684 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18684 54 1 9 "Average Difference" HN 26 0.848 -0.448 0.734 18684 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18684 56 1 10 "Average Difference" HA 30 0.416 -0.192 0.375 18684 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18684 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18684 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18684 60 1 10 "Average Difference" HN 26 0.793 -0.395 0.701 18684 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18684 62 1 11 "Average Difference" HA 30 0.460 -0.178 0.431 18684 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18684 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18684 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18684 66 1 11 "Average Difference" HN 26 0.760 -0.419 0.646 18684 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18684 68 1 12 "Average Difference" HA 30 0.498 -0.198 0.465 18684 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18684 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18684 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18684 72 1 12 "Average Difference" HN 26 0.739 -0.379 0.646 18684 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18684 74 1 13 "Average Difference" HA 30 0.529 -0.256 0.471 18684 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18684 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18684 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18684 78 1 13 "Average Difference" HN 26 0.795 -0.469 0.654 18684 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18684 80 1 14 "Average Difference" HA 30 0.507 -0.224 0.463 18684 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18684 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18684 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18684 84 1 14 "Average Difference" HN 26 0.730 -0.388 0.630 18684 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18684 86 1 15 "Average Difference" HA 30 0.446 -0.226 0.392 18684 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18684 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18684 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18684 90 1 15 "Average Difference" HN 26 0.829 -0.500 0.675 18684 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18684 92 1 16 "Average Difference" HA 30 0.476 -0.230 0.424 18684 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18684 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18684 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18684 96 1 16 "Average Difference" HN 26 0.794 -0.381 0.711 18684 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18684 98 1 17 "Average Difference" HA 30 0.521 -0.237 0.472 18684 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18684 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18684 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18684 102 1 17 "Average Difference" HN 26 0.732 -0.428 0.605 18684 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18684 104 1 18 "Average Difference" HA 30 0.478 -0.188 0.447 18684 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18684 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18684 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18684 108 1 18 "Average Difference" HN 26 0.794 -0.449 0.668 18684 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18684 110 1 19 "Average Difference" HA 30 0.456 -0.220 0.406 18684 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18684 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18684 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18684 114 1 19 "Average Difference" HN 26 0.829 -0.426 0.726 18684 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18684 116 1 20 "Average Difference" HA 30 0.431 -0.115 0.423 18684 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18684 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18684 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18684 120 1 20 "Average Difference" HN 26 0.779 -0.410 0.675 18684 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 18684 _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 6 6 LEU HA H 6 4.174 4.174 4.231 -0.057 18684 2 1 . 1 1 6 6 LEU H H 6 8.323 8.323 8.071 0.252 18684 3 1 . 1 1 7 7 GLN H H 7 8.555 8.555 8.885 -0.330 18684 4 1 . 1 1 8 8 LYS HA H 8 4.180 4.180 4.358 -0.178 18684 5 1 . 1 1 8 8 LYS H H 8 8.130 8.130 8.500 -0.370 18684 6 1 . 1 1 9 9 TYR HA H 9 4.071 4.071 4.366 -0.295 18684 7 1 . 1 1 9 9 TYR H H 9 8.004 8.004 8.941 -0.937 18684 8 1 . 1 1 10 10 TYR HA H 10 4.401 4.401 4.389 0.012 18684 9 1 . 1 1 10 10 TYR H H 10 7.862 7.862 7.595 0.267 18684 10 1 . 1 1 11 11 CYS HA H 11 4.312 4.312 4.137 0.175 18684 11 1 . 1 1 11 11 CYS H H 11 8.217 8.217 8.118 0.099 18684 12 1 . 1 1 18 18 CYS HA H 18 5.704 5.704 4.353 1.351 18684 13 1 . 1 1 18 18 CYS H H 18 8.704 8.704 7.950 0.754 18684 14 1 . 1 1 19 19 HIS HA H 19 4.928 4.928 4.501 0.427 18684 15 1 . 1 1 19 19 HIS H H 19 9.728 9.728 8.282 1.446 18684 16 1 . 1 1 20 20 PRO HA H 20 4.442 4.442 4.638 -0.196 18684 17 1 . 1 1 21 21 VAL HA H 21 3.319 3.319 3.738 -0.419 18684 18 1 . 1 1 21 21 VAL H H 21 8.753 8.753 8.602 0.151 18684 19 1 . 1 1 22 22 PHE HA H 22 4.915 4.915 4.954 -0.039 18684 20 1 . 1 1 22 22 PHE H H 22 9.353 9.353 8.268 1.085 18684 21 1 . 1 1 23 23 CYS HA H 23 5.025 5.025 4.427 0.598 18684 22 1 . 1 1 23 23 CYS H H 23 8.997 8.997 7.815 1.182 18684 23 1 . 1 1 24 24 PRO HA H 24 4.324 4.324 4.047 0.277 18684 24 1 . 1 1 25 25 ARG HA H 25 4.043 4.043 3.263 0.780 18684 25 1 . 1 1 25 25 ARG H H 25 8.414 8.414 7.777 0.637 18684 26 1 . 1 1 26 26 ARG HA H 26 3.870 3.870 4.007 -0.137 18684 27 1 . 1 1 26 26 ARG H H 26 8.633 8.633 8.389 0.244 18684 28 1 . 1 1 27 27 TYR HA H 27 4.619 4.619 4.303 0.316 18684 29 1 . 1 1 27 27 TYR H H 27 8.402 8.402 7.271 1.131 18684 30 1 . 1 1 28 28 LYS HA H 28 4.612 4.612 4.337 0.275 18684 31 1 . 1 1 28 28 LYS H H 28 8.688 8.688 7.968 0.720 18684 32 1 . 1 1 29 29 GLN HA H 29 4.868 4.868 3.938 0.930 18684 33 1 . 1 1 29 29 GLN H H 29 9.094 9.094 8.572 0.522 18684 34 1 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.374 0.372 18684 35 1 . 1 1 30 30 ILE H H 30 8.899 8.899 8.588 0.311 18684 36 1 . 1 1 31 31 GLY H H 31 7.660 7.660 7.479 0.181 18684 37 1 . 1 1 32 32 THR HA H 32 4.985 4.985 4.525 0.460 18684 38 1 . 1 1 32 32 THR H H 32 8.846 8.846 8.085 0.761 18684 39 1 . 1 1 33 33 CYS HA H 33 4.892 4.892 5.106 -0.214 18684 40 1 . 1 1 33 33 CYS H H 33 7.634 7.634 8.445 -0.811 18684 41 1 . 1 1 36 36 PRO HA H 36 4.273 4.273 4.473 -0.200 18684 42 1 . 1 1 37 37 GLY H H 37 8.475 8.475 8.227 0.248 18684 43 1 . 1 1 38 38 THR HA H 38 4.425 4.425 4.708 -0.283 18684 44 1 . 1 1 38 38 THR H H 38 7.704 7.704 7.710 -0.006 18684 45 1 . 1 1 39 39 LYS HA H 39 4.560 4.560 4.808 -0.248 18684 46 1 . 1 1 39 39 LYS H H 39 8.647 8.647 8.224 0.423 18684 47 1 . 1 1 40 40 CYS HA H 40 5.122 5.122 4.633 0.489 18684 48 1 . 1 1 40 40 CYS H H 40 8.233 8.233 8.081 0.152 18684 49 1 . 1 1 41 41 CYS HA H 41 5.549 5.549 4.974 0.575 18684 50 1 . 1 1 41 41 CYS H H 41 9.626 9.626 8.030 1.596 18684 51 1 . 1 1 42 42 LYS HA H 42 4.704 4.704 4.236 0.468 18684 52 1 . 1 1 42 42 LYS H H 42 9.852 9.852 8.433 1.419 18684 stop_ save_