data_17763 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17763 _Entry.PDB_ID 2LFK 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 17763 _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 ASP HA H 20 4.682 4.682 4.987 -0.305 17763 2 1 1 . 1 1 2 2 ASP H H 20 8.665 8.665 8.472 0.193 17763 3 1 1 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.578 -0.355 17763 4 1 1 . 1 1 3 3 LYS H H 21 8.401 8.401 8.281 0.120 17763 5 1 1 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.503 -0.229 17763 6 1 1 . 1 1 4 4 GLU H H 22 8.227 8.227 8.427 -0.200 17763 7 1 1 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.318 -0.008 17763 8 1 1 . 1 1 5 5 GLU H H 23 8.242 8.242 8.409 -0.167 17763 9 1 1 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.627 0.190 17763 10 1 1 . 1 1 6 6 CYS H H 24 8.465 8.465 8.495 -0.030 17763 11 1 1 . 1 1 7 7 THR HA H 25 4.298 4.298 4.239 0.059 17763 12 1 1 . 1 1 7 7 THR H H 25 8.443 8.443 8.347 0.096 17763 13 1 1 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.172 -0.128 17763 14 1 1 . 1 1 8 8 VAL H H 26 8.287 8.287 8.357 -0.070 17763 15 1 1 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.769 -0.437 17763 16 1 1 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.929 -0.038 17763 17 1 1 . 1 1 10 10 ILE H H 28 8.285 8.285 8.382 -0.097 17763 18 1 1 . 1 1 11 11 GLY H H 29 8.783 8.783 7.908 0.875 17763 19 1 1 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.556 -0.253 17763 20 1 1 . 1 1 12 12 TRP H H 30 7.757 7.757 7.674 0.083 17763 21 1 1 . 1 1 13 13 SER HA H 31 4.251 4.251 4.218 0.033 17763 22 1 1 . 1 1 13 13 SER H H 31 7.823 7.823 7.296 0.527 17763 23 1 1 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.683 -0.536 17763 24 1 1 . 1 1 14 14 GLU H H 32 8.198 8.198 7.981 0.217 17763 25 1 1 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.366 -0.425 17763 26 1 1 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.268 -0.444 17763 27 1 1 . 1 1 16 16 VAL H H 34 8.116 8.116 8.353 -0.237 17763 28 1 1 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.236 0.488 17763 29 1 1 . 1 1 17 17 LYS H H 35 8.385 8.385 8.456 -0.071 17763 30 1 1 . 1 1 18 18 GLY H H 36 8.071 8.071 8.178 -0.107 17763 31 1 1 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.913 0.461 17763 32 1 1 . 1 1 19 19 LEU H H 37 8.398 8.398 7.834 0.564 17763 33 1 1 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.593 0.241 17763 34 1 1 . 1 1 20 20 CYS H H 38 7.946 7.946 8.012 -0.066 17763 35 1 1 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.276 0.008 17763 36 1 1 . 1 1 21 21 LYS H H 39 8.432 8.432 8.559 -0.127 17763 37 1 1 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.430 -0.525 17763 38 1 1 . 1 1 22 22 ALA H H 40 7.132 7.132 7.190 -0.058 17763 39 1 1 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.434 -0.379 17763 40 1 1 . 1 1 23 23 ARG H H 41 8.059 8.059 8.029 0.030 17763 41 1 1 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.591 0.456 17763 42 1 1 . 1 1 24 24 PHE H H 42 8.118 8.118 7.985 0.133 17763 43 1 1 . 1 1 25 25 THR HA H 43 4.824 4.824 4.924 -0.100 17763 44 1 1 . 1 1 25 25 THR H H 43 8.752 8.752 8.394 0.358 17763 45 1 1 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.152 -0.335 17763 46 1 1 . 1 1 26 26 ARG H H 44 8.792 8.792 9.017 -0.225 17763 47 1 1 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.296 -0.225 17763 48 1 1 . 1 1 27 27 TYR H H 45 8.866 8.866 8.841 0.025 17763 49 1 1 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.074 -0.150 17763 50 1 1 . 1 1 28 28 TYR H H 46 9.194 9.194 9.324 -0.130 17763 51 1 1 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.368 -0.610 17763 52 1 1 . 1 1 29 29 CYS H H 47 9.450 9.450 8.903 0.547 17763 53 1 1 . 1 1 30 30 MET HA H 48 4.571 4.571 4.588 -0.017 17763 54 1 1 . 1 1 30 30 MET H H 48 9.039 9.039 9.018 0.021 17763 55 1 1 . 1 1 31 31 GLY H H 49 6.977 6.977 8.893 -1.916 17763 56 1 1 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.914 -0.378 17763 57 1 1 . 1 1 32 32 ASN H H 50 8.052 8.052 7.869 0.183 17763 58 1 1 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.828 -0.137 17763 59 1 1 . 1 1 33 33 CYS H H 51 7.461 7.461 7.510 -0.049 17763 60 1 1 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.303 0.163 17763 61 1 1 . 1 1 34 34 CYS H H 52 8.834 8.834 8.843 -0.009 17763 62 1 1 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.681 -0.065 17763 63 1 1 . 1 1 35 35 LYS H H 53 9.150 9.150 9.305 -0.155 17763 64 1 1 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.169 0.121 17763 65 1 1 . 1 1 36 36 VAL H H 54 8.124 8.124 8.491 -0.367 17763 66 1 1 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.584 -0.406 17763 67 1 1 . 1 1 37 37 TYR H H 55 8.967 8.967 9.044 -0.077 17763 68 1 1 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.487 0.258 17763 69 1 1 . 1 1 38 38 GLU H H 56 8.462 8.462 8.758 -0.296 17763 70 1 1 . 1 1 39 39 GLY H H 57 9.262 9.262 8.401 0.861 17763 71 1 1 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.272 0.335 17763 72 1 1 . 1 1 40 40 CYS H H 58 8.957 8.957 8.695 0.262 17763 73 1 1 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.356 0.458 17763 74 1 1 . 1 1 41 41 TYR H H 59 7.888 7.888 8.707 -0.819 17763 75 1 1 . 1 1 42 42 THR HA H 60 4.304 4.304 3.912 0.392 17763 76 1 1 . 1 1 42 42 THR H H 60 8.623 8.623 8.499 0.124 17763 77 1 1 . 1 1 43 43 GLY H H 61 7.479 7.479 7.859 -0.380 17763 78 1 1 . 1 1 44 44 GLY H H 62 8.005 8.005 7.805 0.200 17763 79 1 1 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.430 0.251 17763 80 1 1 . 1 1 45 45 TYR H H 63 8.884 8.884 7.829 1.055 17763 81 1 1 . 1 1 46 46 SER HA H 64 4.504 4.504 4.363 0.141 17763 82 1 1 . 1 1 46 46 SER H H 64 9.090 9.090 8.675 0.415 17763 83 1 1 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.274 0.311 17763 84 1 1 . 1 1 47 47 ARG H H 65 7.182 7.182 7.585 -0.403 17763 85 1 1 . 1 1 48 48 MET HA H 66 3.176 3.176 3.774 -0.598 17763 86 1 1 . 1 1 48 48 MET H H 66 8.312 8.312 7.729 0.583 17763 87 1 1 . 1 1 49 49 GLY H H 67 8.757 8.757 8.599 0.158 17763 88 1 1 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.221 -0.419 17763 89 1 1 . 1 1 50 50 GLU H H 68 6.370 6.370 7.510 -1.140 17763 90 1 1 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.673 0.043 17763 91 1 1 . 1 1 51 51 CYS H H 69 6.810 6.810 7.336 -0.526 17763 92 1 1 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.088 -0.348 17763 93 1 1 . 1 1 52 52 ALA H H 70 8.534 8.534 8.156 0.378 17763 94 1 1 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.152 -0.087 17763 95 1 1 . 1 1 53 53 ARG H H 71 6.930 6.930 7.849 -0.919 17763 96 1 1 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.770 -0.003 17763 97 1 1 . 1 1 54 54 ASN H H 72 7.267 7.267 7.511 -0.244 17763 98 1 1 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.552 0.577 17763 99 1 1 . 1 1 55 55 CYS H H 73 6.995 6.995 8.000 -1.004 17763 100 1 1 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.415 0.321 17763 101 1 2 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.806 -0.124 17763 102 1 2 . 1 1 2 2 ASP H H 20 8.665 8.665 8.334 0.331 17763 103 1 2 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.244 -0.021 17763 104 1 2 . 1 1 3 3 LYS H H 21 8.401 8.401 8.280 0.121 17763 105 1 2 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.279 -0.005 17763 106 1 2 . 1 1 4 4 GLU H H 22 8.227 8.227 8.538 -0.311 17763 107 1 2 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.312 -0.002 17763 108 1 2 . 1 1 5 5 GLU H H 23 8.242 8.242 8.059 0.183 17763 109 1 2 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.624 0.193 17763 110 1 2 . 1 1 6 6 CYS H H 24 8.465 8.465 8.456 0.009 17763 111 1 2 . 1 1 7 7 THR HA H 25 4.298 4.298 4.425 -0.127 17763 112 1 2 . 1 1 7 7 THR H H 25 8.443 8.443 8.053 0.390 17763 113 1 2 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.456 -0.412 17763 114 1 2 . 1 1 8 8 VAL H H 26 8.287 8.287 8.045 0.242 17763 115 1 2 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.672 -0.340 17763 116 1 2 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.949 -0.058 17763 117 1 2 . 1 1 10 10 ILE H H 28 8.285 8.285 8.397 -0.112 17763 118 1 2 . 1 1 11 11 GLY H H 29 8.783 8.783 7.930 0.853 17763 119 1 2 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.585 -0.282 17763 120 1 2 . 1 1 12 12 TRP H H 30 7.757 7.757 7.621 0.136 17763 121 1 2 . 1 1 13 13 SER HA H 31 4.251 4.251 4.274 -0.023 17763 122 1 2 . 1 1 13 13 SER H H 31 7.823 7.823 7.361 0.462 17763 123 1 2 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.570 -0.423 17763 124 1 2 . 1 1 14 14 GLU H H 32 8.198 8.198 7.785 0.413 17763 125 1 2 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.388 -0.447 17763 126 1 2 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.321 -0.497 17763 127 1 2 . 1 1 16 16 VAL H H 34 8.116 8.116 8.387 -0.271 17763 128 1 2 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.670 0.054 17763 129 1 2 . 1 1 17 17 LYS H H 35 8.385 8.385 8.493 -0.108 17763 130 1 2 . 1 1 18 18 GLY H H 36 8.071 8.071 8.603 -0.532 17763 131 1 2 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.920 0.454 17763 132 1 2 . 1 1 19 19 LEU H H 37 8.398 8.398 7.891 0.507 17763 133 1 2 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.428 0.406 17763 134 1 2 . 1 1 20 20 CYS H H 38 7.946 7.946 7.869 0.077 17763 135 1 2 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.063 0.221 17763 136 1 2 . 1 1 21 21 LYS H H 39 8.432 8.432 8.443 -0.011 17763 137 1 2 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.410 -0.505 17763 138 1 2 . 1 1 22 22 ALA H H 40 7.132 7.132 7.253 -0.121 17763 139 1 2 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.332 -0.277 17763 140 1 2 . 1 1 23 23 ARG H H 41 8.059 8.059 8.417 -0.358 17763 141 1 2 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.756 0.291 17763 142 1 2 . 1 1 24 24 PHE H H 42 8.118 8.118 7.876 0.242 17763 143 1 2 . 1 1 25 25 THR HA H 43 4.824 4.824 5.133 -0.309 17763 144 1 2 . 1 1 25 25 THR H H 43 8.752 8.752 8.330 0.422 17763 145 1 2 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.807 0.010 17763 146 1 2 . 1 1 26 26 ARG H H 44 8.792 8.792 8.916 -0.124 17763 147 1 2 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.136 -0.065 17763 148 1 2 . 1 1 27 27 TYR H H 45 8.866 8.866 8.588 0.278 17763 149 1 2 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.704 0.220 17763 150 1 2 . 1 1 28 28 TYR H H 46 9.194 9.194 8.639 0.555 17763 151 1 2 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.391 -0.633 17763 152 1 2 . 1 1 29 29 CYS H H 47 9.450 9.450 9.033 0.417 17763 153 1 2 . 1 1 30 30 MET HA H 48 4.571 4.571 4.713 -0.142 17763 154 1 2 . 1 1 30 30 MET H H 48 9.039 9.039 9.044 -0.005 17763 155 1 2 . 1 1 31 31 GLY H H 49 6.977 6.977 8.557 -1.580 17763 156 1 2 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.975 -0.439 17763 157 1 2 . 1 1 32 32 ASN H H 50 8.052 8.052 8.035 0.017 17763 158 1 2 . 1 1 33 33 CYS HA H 51 4.691 4.691 5.030 -0.339 17763 159 1 2 . 1 1 33 33 CYS H H 51 7.461 7.461 7.817 -0.356 17763 160 1 2 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.264 0.202 17763 161 1 2 . 1 1 34 34 CYS H H 52 8.834 8.834 8.774 0.060 17763 162 1 2 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.780 -0.164 17763 163 1 2 . 1 1 35 35 LYS H H 53 9.150 9.150 9.261 -0.111 17763 164 1 2 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.372 -0.082 17763 165 1 2 . 1 1 36 36 VAL H H 54 8.124 8.124 8.512 -0.388 17763 166 1 2 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.573 -0.395 17763 167 1 2 . 1 1 37 37 TYR H H 55 8.967 8.967 8.986 -0.019 17763 168 1 2 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.437 0.308 17763 169 1 2 . 1 1 38 38 GLU H H 56 8.462 8.462 8.797 -0.335 17763 170 1 2 . 1 1 39 39 GLY H H 57 9.262 9.262 8.834 0.428 17763 171 1 2 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.597 0.010 17763 172 1 2 . 1 1 40 40 CYS H H 58 8.957 8.957 8.371 0.586 17763 173 1 2 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.938 -0.124 17763 174 1 2 . 1 1 41 41 TYR H H 59 7.888 7.888 8.052 -0.164 17763 175 1 2 . 1 1 42 42 THR HA H 60 4.304 4.304 4.552 -0.248 17763 176 1 2 . 1 1 42 42 THR H H 60 8.623 8.623 8.481 0.142 17763 177 1 2 . 1 1 43 43 GLY H H 61 7.479 7.479 8.192 -0.713 17763 178 1 2 . 1 1 44 44 GLY H H 62 8.005 8.005 7.435 0.570 17763 179 1 2 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.350 0.331 17763 180 1 2 . 1 1 45 45 TYR H H 63 8.884 8.884 8.088 0.796 17763 181 1 2 . 1 1 46 46 SER HA H 64 4.504 4.504 4.387 0.117 17763 182 1 2 . 1 1 46 46 SER H H 64 9.090 9.090 8.765 0.325 17763 183 1 2 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.548 0.037 17763 184 1 2 . 1 1 47 47 ARG H H 65 7.182 7.182 7.796 -0.614 17763 185 1 2 . 1 1 48 48 MET HA H 66 3.176 3.176 4.013 -0.837 17763 186 1 2 . 1 1 48 48 MET H H 66 8.312 8.312 8.402 -0.090 17763 187 1 2 . 1 1 49 49 GLY H H 67 8.757 8.757 8.415 0.343 17763 188 1 2 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.056 -0.254 17763 189 1 2 . 1 1 50 50 GLU H H 68 6.370 6.370 8.377 -2.007 17763 190 1 2 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.046 -0.330 17763 191 1 2 . 1 1 51 51 CYS H H 69 6.810 6.810 7.535 -0.725 17763 192 1 2 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.049 -0.309 17763 193 1 2 . 1 1 52 52 ALA H H 70 8.534 8.534 7.775 0.759 17763 194 1 2 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.056 0.009 17763 195 1 2 . 1 1 53 53 ARG H H 71 6.930 6.930 7.861 -0.931 17763 196 1 2 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.804 -0.037 17763 197 1 2 . 1 1 54 54 ASN H H 72 7.267 7.267 7.523 -0.256 17763 198 1 2 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.633 0.496 17763 199 1 2 . 1 1 55 55 CYS H H 73 6.995 6.995 8.211 -1.216 17763 200 1 2 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.371 0.365 17763 201 1 3 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.710 -0.028 17763 202 1 3 . 1 1 2 2 ASP H H 20 8.665 8.665 8.392 0.273 17763 203 1 3 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.599 -0.376 17763 204 1 3 . 1 1 3 3 LYS H H 21 8.401 8.401 8.452 -0.051 17763 205 1 3 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.489 -0.215 17763 206 1 3 . 1 1 4 4 GLU H H 22 8.227 8.227 8.384 -0.157 17763 207 1 3 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.486 -0.176 17763 208 1 3 . 1 1 5 5 GLU H H 23 8.242 8.242 8.457 -0.215 17763 209 1 3 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.608 0.209 17763 210 1 3 . 1 1 6 6 CYS H H 24 8.465 8.465 8.872 -0.407 17763 211 1 3 . 1 1 7 7 THR HA H 25 4.298 4.298 4.667 -0.369 17763 212 1 3 . 1 1 7 7 THR H H 25 8.443 8.443 8.167 0.276 17763 213 1 3 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.426 -0.382 17763 214 1 3 . 1 1 8 8 VAL H H 26 8.287 8.287 8.189 0.098 17763 215 1 3 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.713 -0.381 17763 216 1 3 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.936 -0.045 17763 217 1 3 . 1 1 10 10 ILE H H 28 8.285 8.285 8.406 -0.121 17763 218 1 3 . 1 1 11 11 GLY H H 29 8.783 8.783 7.940 0.843 17763 219 1 3 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.648 -0.345 17763 220 1 3 . 1 1 12 12 TRP H H 30 7.757 7.757 7.744 0.013 17763 221 1 3 . 1 1 13 13 SER HA H 31 4.251 4.251 4.465 -0.214 17763 222 1 3 . 1 1 13 13 SER H H 31 7.823 7.823 7.711 0.112 17763 223 1 3 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.409 -0.262 17763 224 1 3 . 1 1 14 14 GLU H H 32 8.198 8.198 7.954 0.244 17763 225 1 3 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.359 -0.418 17763 226 1 3 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.317 -0.493 17763 227 1 3 . 1 1 16 16 VAL H H 34 8.116 8.116 8.398 -0.282 17763 228 1 3 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.247 0.477 17763 229 1 3 . 1 1 17 17 LYS H H 35 8.385 8.385 8.466 -0.081 17763 230 1 3 . 1 1 18 18 GLY H H 36 8.071 8.071 8.238 -0.167 17763 231 1 3 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.942 0.432 17763 232 1 3 . 1 1 19 19 LEU H H 37 8.398 8.398 7.890 0.508 17763 233 1 3 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.604 0.230 17763 234 1 3 . 1 1 20 20 CYS H H 38 7.946 7.946 8.415 -0.469 17763 235 1 3 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.321 -0.037 17763 236 1 3 . 1 1 21 21 LYS H H 39 8.432 8.432 8.512 -0.080 17763 237 1 3 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.586 -0.681 17763 238 1 3 . 1 1 22 22 ALA H H 40 7.132 7.132 7.323 -0.191 17763 239 1 3 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.508 -0.453 17763 240 1 3 . 1 1 23 23 ARG H H 41 8.059 8.059 8.312 -0.253 17763 241 1 3 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.598 0.449 17763 242 1 3 . 1 1 24 24 PHE H H 42 8.118 8.118 7.963 0.155 17763 243 1 3 . 1 1 25 25 THR HA H 43 4.824 4.824 4.866 -0.042 17763 244 1 3 . 1 1 25 25 THR H H 43 8.752 8.752 8.321 0.431 17763 245 1 3 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.999 -0.182 17763 246 1 3 . 1 1 26 26 ARG H H 44 8.792 8.792 8.867 -0.075 17763 247 1 3 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.378 -0.307 17763 248 1 3 . 1 1 27 27 TYR H H 45 8.866 8.866 8.317 0.549 17763 249 1 3 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.101 -0.177 17763 250 1 3 . 1 1 28 28 TYR H H 46 9.194 9.194 9.602 -0.408 17763 251 1 3 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.721 0.037 17763 252 1 3 . 1 1 29 29 CYS H H 47 9.450 9.450 9.404 0.046 17763 253 1 3 . 1 1 30 30 MET HA H 48 4.571 4.571 4.563 0.008 17763 254 1 3 . 1 1 30 30 MET H H 48 9.039 9.039 8.850 0.189 17763 255 1 3 . 1 1 31 31 GLY H H 49 6.977 6.977 8.475 -1.498 17763 256 1 3 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.819 -0.283 17763 257 1 3 . 1 1 32 32 ASN H H 50 8.052 8.052 7.933 0.119 17763 258 1 3 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.800 -0.109 17763 259 1 3 . 1 1 33 33 CYS H H 51 7.461 7.461 7.570 -0.109 17763 260 1 3 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.898 0.568 17763 261 1 3 . 1 1 34 34 CYS H H 52 8.834 8.834 8.954 -0.120 17763 262 1 3 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.738 -0.122 17763 263 1 3 . 1 1 35 35 LYS H H 53 9.150 9.150 9.069 0.081 17763 264 1 3 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.474 -0.184 17763 265 1 3 . 1 1 36 36 VAL H H 54 8.124 8.124 8.578 -0.454 17763 266 1 3 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.661 -0.483 17763 267 1 3 . 1 1 37 37 TYR H H 55 8.967 8.967 8.858 0.109 17763 268 1 3 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.198 0.547 17763 269 1 3 . 1 1 38 38 GLU H H 56 8.462 8.462 8.560 -0.098 17763 270 1 3 . 1 1 39 39 GLY H H 57 9.262 9.262 8.929 0.333 17763 271 1 3 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.165 0.442 17763 272 1 3 . 1 1 40 40 CYS H H 58 8.957 8.957 8.718 0.239 17763 273 1 3 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.354 0.460 17763 274 1 3 . 1 1 41 41 TYR H H 59 7.888 7.888 8.563 -0.675 17763 275 1 3 . 1 1 42 42 THR HA H 60 4.304 4.304 4.029 0.275 17763 276 1 3 . 1 1 42 42 THR H H 60 8.623 8.623 8.551 0.072 17763 277 1 3 . 1 1 43 43 GLY H H 61 7.479 7.479 8.006 -0.527 17763 278 1 3 . 1 1 44 44 GLY H H 62 8.005 8.005 7.320 0.685 17763 279 1 3 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.421 0.260 17763 280 1 3 . 1 1 45 45 TYR H H 63 8.884 8.884 8.185 0.699 17763 281 1 3 . 1 1 46 46 SER HA H 64 4.504 4.504 4.282 0.222 17763 282 1 3 . 1 1 46 46 SER H H 64 9.090 9.090 8.732 0.358 17763 283 1 3 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.283 0.302 17763 284 1 3 . 1 1 47 47 ARG H H 65 7.182 7.182 7.611 -0.429 17763 285 1 3 . 1 1 48 48 MET HA H 66 3.176 3.176 3.936 -0.760 17763 286 1 3 . 1 1 48 48 MET H H 66 8.312 8.312 7.895 0.417 17763 287 1 3 . 1 1 49 49 GLY H H 67 8.757 8.757 8.441 0.316 17763 288 1 3 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.082 -0.280 17763 289 1 3 . 1 1 50 50 GLU H H 68 6.370 6.370 7.620 -1.250 17763 290 1 3 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.646 0.070 17763 291 1 3 . 1 1 51 51 CYS H H 69 6.810 6.810 7.352 -0.542 17763 292 1 3 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.037 -0.297 17763 293 1 3 . 1 1 52 52 ALA H H 70 8.534 8.534 7.663 0.871 17763 294 1 3 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.122 -0.057 17763 295 1 3 . 1 1 53 53 ARG H H 71 6.930 6.930 7.434 -0.504 17763 296 1 3 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.763 0.004 17763 297 1 3 . 1 1 54 54 ASN H H 72 7.267 7.267 7.636 -0.369 17763 298 1 3 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.561 0.568 17763 299 1 3 . 1 1 55 55 CYS H H 73 6.995 6.995 8.022 -1.027 17763 300 1 3 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.390 0.346 17763 301 1 4 . 1 1 2 2 ASP HA H 20 4.682 4.682 5.339 -0.657 17763 302 1 4 . 1 1 2 2 ASP H H 20 8.665 8.665 9.117 -0.452 17763 303 1 4 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.662 -0.439 17763 304 1 4 . 1 1 3 3 LYS H H 21 8.401 8.401 8.596 -0.195 17763 305 1 4 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.363 -0.089 17763 306 1 4 . 1 1 4 4 GLU H H 22 8.227 8.227 8.587 -0.360 17763 307 1 4 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.248 0.062 17763 308 1 4 . 1 1 5 5 GLU H H 23 8.242 8.242 7.897 0.345 17763 309 1 4 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.447 0.370 17763 310 1 4 . 1 1 6 6 CYS H H 24 8.465 8.465 8.526 -0.061 17763 311 1 4 . 1 1 7 7 THR HA H 25 4.298 4.298 4.435 -0.137 17763 312 1 4 . 1 1 7 7 THR H H 25 8.443 8.443 8.117 0.326 17763 313 1 4 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.436 -0.392 17763 314 1 4 . 1 1 8 8 VAL H H 26 8.287 8.287 7.841 0.446 17763 315 1 4 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.662 -0.330 17763 316 1 4 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.923 -0.032 17763 317 1 4 . 1 1 10 10 ILE H H 28 8.285 8.285 8.394 -0.109 17763 318 1 4 . 1 1 11 11 GLY H H 29 8.783 8.783 7.932 0.851 17763 319 1 4 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.624 -0.321 17763 320 1 4 . 1 1 12 12 TRP H H 30 7.757 7.757 7.763 -0.006 17763 321 1 4 . 1 1 13 13 SER HA H 31 4.251 4.251 4.334 -0.083 17763 322 1 4 . 1 1 13 13 SER H H 31 7.823 7.823 7.547 0.276 17763 323 1 4 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.432 -0.285 17763 324 1 4 . 1 1 14 14 GLU H H 32 8.198 8.198 7.849 0.349 17763 325 1 4 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.337 -0.396 17763 326 1 4 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.328 -0.504 17763 327 1 4 . 1 1 16 16 VAL H H 34 8.116 8.116 8.399 -0.283 17763 328 1 4 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.796 -0.072 17763 329 1 4 . 1 1 17 17 LYS H H 35 8.385 8.385 8.444 -0.059 17763 330 1 4 . 1 1 18 18 GLY H H 36 8.071 8.071 8.556 -0.485 17763 331 1 4 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.865 0.509 17763 332 1 4 . 1 1 19 19 LEU H H 37 8.398 8.398 7.760 0.638 17763 333 1 4 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.391 0.443 17763 334 1 4 . 1 1 20 20 CYS H H 38 7.946 7.946 7.923 0.023 17763 335 1 4 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.182 0.102 17763 336 1 4 . 1 1 21 21 LYS H H 39 8.432 8.432 8.481 -0.049 17763 337 1 4 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.588 -0.683 17763 338 1 4 . 1 1 22 22 ALA H H 40 7.132 7.132 7.311 -0.179 17763 339 1 4 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.347 -0.292 17763 340 1 4 . 1 1 23 23 ARG H H 41 8.059 8.059 8.387 -0.328 17763 341 1 4 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.817 0.230 17763 342 1 4 . 1 1 24 24 PHE H H 42 8.118 8.118 8.007 0.111 17763 343 1 4 . 1 1 25 25 THR HA H 43 4.824 4.824 5.256 -0.432 17763 344 1 4 . 1 1 25 25 THR H H 43 8.752 8.752 8.721 0.031 17763 345 1 4 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.069 -0.252 17763 346 1 4 . 1 1 26 26 ARG H H 44 8.792 8.792 9.010 -0.218 17763 347 1 4 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.099 -0.028 17763 348 1 4 . 1 1 27 27 TYR H H 45 8.866 8.866 8.860 0.006 17763 349 1 4 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.893 0.031 17763 350 1 4 . 1 1 28 28 TYR H H 46 9.194 9.194 9.225 -0.031 17763 351 1 4 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.836 -0.078 17763 352 1 4 . 1 1 29 29 CYS H H 47 9.450 9.450 9.419 0.031 17763 353 1 4 . 1 1 30 30 MET HA H 48 4.571 4.571 4.454 0.117 17763 354 1 4 . 1 1 30 30 MET H H 48 9.039 9.039 8.950 0.089 17763 355 1 4 . 1 1 31 31 GLY H H 49 6.977 6.977 8.685 -1.708 17763 356 1 4 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.933 -0.397 17763 357 1 4 . 1 1 32 32 ASN H H 50 8.052 8.052 7.995 0.057 17763 358 1 4 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.856 -0.165 17763 359 1 4 . 1 1 33 33 CYS H H 51 7.461 7.461 7.497 -0.036 17763 360 1 4 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.915 0.551 17763 361 1 4 . 1 1 34 34 CYS H H 52 8.834 8.834 8.841 -0.007 17763 362 1 4 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.268 0.348 17763 363 1 4 . 1 1 35 35 LYS H H 53 9.150 9.150 8.289 0.861 17763 364 1 4 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.274 0.016 17763 365 1 4 . 1 1 36 36 VAL H H 54 8.124 8.124 8.467 -0.343 17763 366 1 4 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.594 -0.416 17763 367 1 4 . 1 1 37 37 TYR H H 55 8.967 8.967 8.921 0.046 17763 368 1 4 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.440 0.305 17763 369 1 4 . 1 1 38 38 GLU H H 56 8.462 8.462 8.729 -0.267 17763 370 1 4 . 1 1 39 39 GLY H H 57 9.262 9.262 8.601 0.661 17763 371 1 4 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.651 -0.044 17763 372 1 4 . 1 1 40 40 CYS H H 58 8.957 8.957 8.452 0.505 17763 373 1 4 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.966 -0.152 17763 374 1 4 . 1 1 41 41 TYR H H 59 7.888 7.888 8.100 -0.212 17763 375 1 4 . 1 1 42 42 THR HA H 60 4.304 4.304 4.513 -0.209 17763 376 1 4 . 1 1 42 42 THR H H 60 8.623 8.623 8.467 0.155 17763 377 1 4 . 1 1 43 43 GLY H H 61 7.479 7.479 8.249 -0.770 17763 378 1 4 . 1 1 44 44 GLY H H 62 8.005 8.005 7.341 0.664 17763 379 1 4 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.333 0.347 17763 380 1 4 . 1 1 45 45 TYR H H 63 8.884 8.884 7.837 1.047 17763 381 1 4 . 1 1 46 46 SER HA H 64 4.504 4.504 4.411 0.093 17763 382 1 4 . 1 1 46 46 SER H H 64 9.090 9.090 8.606 0.484 17763 383 1 4 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.555 0.030 17763 384 1 4 . 1 1 47 47 ARG H H 65 7.182 7.182 7.857 -0.675 17763 385 1 4 . 1 1 48 48 MET HA H 66 3.176 3.176 3.783 -0.607 17763 386 1 4 . 1 1 48 48 MET H H 66 8.312 8.312 8.456 -0.144 17763 387 1 4 . 1 1 49 49 GLY H H 67 8.757 8.757 8.437 0.320 17763 388 1 4 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.014 -0.212 17763 389 1 4 . 1 1 50 50 GLU H H 68 6.370 6.370 8.442 -2.072 17763 390 1 4 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.436 -0.720 17763 391 1 4 . 1 1 51 51 CYS H H 69 6.810 6.810 7.916 -1.106 17763 392 1 4 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.948 -0.208 17763 393 1 4 . 1 1 52 52 ALA H H 70 8.534 8.534 8.274 0.260 17763 394 1 4 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.038 0.027 17763 395 1 4 . 1 1 53 53 ARG H H 71 6.930 6.930 7.817 -0.887 17763 396 1 4 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.840 -0.073 17763 397 1 4 . 1 1 54 54 ASN H H 72 7.267 7.267 7.415 -0.148 17763 398 1 4 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.456 0.673 17763 399 1 4 . 1 1 55 55 CYS H H 73 6.995 6.995 7.922 -0.927 17763 400 1 4 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.424 0.312 17763 401 1 5 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.785 -0.103 17763 402 1 5 . 1 1 2 2 ASP H H 20 8.665 8.665 8.315 0.350 17763 403 1 5 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.392 -0.169 17763 404 1 5 . 1 1 3 3 LYS H H 21 8.401 8.401 8.475 -0.074 17763 405 1 5 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.382 -0.108 17763 406 1 5 . 1 1 4 4 GLU H H 22 8.227 8.227 8.383 -0.156 17763 407 1 5 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.526 -0.216 17763 408 1 5 . 1 1 5 5 GLU H H 23 8.242 8.242 8.032 0.210 17763 409 1 5 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.735 0.082 17763 410 1 5 . 1 1 6 6 CYS H H 24 8.465 8.465 8.553 -0.088 17763 411 1 5 . 1 1 7 7 THR HA H 25 4.298 4.298 4.258 0.040 17763 412 1 5 . 1 1 7 7 THR H H 25 8.443 8.443 8.128 0.315 17763 413 1 5 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.470 -0.426 17763 414 1 5 . 1 1 8 8 VAL H H 26 8.287 8.287 7.873 0.414 17763 415 1 5 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.735 -0.403 17763 416 1 5 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.894 -0.003 17763 417 1 5 . 1 1 10 10 ILE H H 28 8.285 8.285 8.561 -0.276 17763 418 1 5 . 1 1 11 11 GLY H H 29 8.783 8.783 7.958 0.825 17763 419 1 5 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.531 -0.228 17763 420 1 5 . 1 1 12 12 TRP H H 30 7.757 7.757 7.710 0.047 17763 421 1 5 . 1 1 13 13 SER HA H 31 4.251 4.251 4.307 -0.056 17763 422 1 5 . 1 1 13 13 SER H H 31 7.823 7.823 7.889 -0.066 17763 423 1 5 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.786 -0.639 17763 424 1 5 . 1 1 14 14 GLU H H 32 8.198 8.198 7.925 0.273 17763 425 1 5 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.373 -0.432 17763 426 1 5 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.298 -0.474 17763 427 1 5 . 1 1 16 16 VAL H H 34 8.116 8.116 8.395 -0.279 17763 428 1 5 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.593 0.131 17763 429 1 5 . 1 1 17 17 LYS H H 35 8.385 8.385 8.341 0.044 17763 430 1 5 . 1 1 18 18 GLY H H 36 8.071 8.071 8.639 -0.568 17763 431 1 5 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.894 0.480 17763 432 1 5 . 1 1 19 19 LEU H H 37 8.398 8.398 7.665 0.733 17763 433 1 5 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.467 0.367 17763 434 1 5 . 1 1 20 20 CYS H H 38 7.946 7.946 7.913 0.033 17763 435 1 5 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.206 0.078 17763 436 1 5 . 1 1 21 21 LYS H H 39 8.432 8.432 8.551 -0.119 17763 437 1 5 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.481 -0.576 17763 438 1 5 . 1 1 22 22 ALA H H 40 7.132 7.132 7.192 -0.060 17763 439 1 5 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.266 -0.211 17763 440 1 5 . 1 1 23 23 ARG H H 41 8.059 8.059 8.050 0.009 17763 441 1 5 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.665 0.382 17763 442 1 5 . 1 1 24 24 PHE H H 42 8.118 8.118 8.126 -0.008 17763 443 1 5 . 1 1 25 25 THR HA H 43 4.824 4.824 5.291 -0.467 17763 444 1 5 . 1 1 25 25 THR H H 43 8.752 8.752 8.545 0.207 17763 445 1 5 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.507 0.310 17763 446 1 5 . 1 1 26 26 ARG H H 44 8.792 8.792 8.825 -0.033 17763 447 1 5 . 1 1 27 27 TYR HA H 45 5.071 5.071 4.828 0.243 17763 448 1 5 . 1 1 27 27 TYR H H 45 8.866 8.866 8.000 0.866 17763 449 1 5 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.574 0.350 17763 450 1 5 . 1 1 28 28 TYR H H 46 9.194 9.194 8.023 1.171 17763 451 1 5 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.125 -0.367 17763 452 1 5 . 1 1 29 29 CYS H H 47 9.450 9.450 8.979 0.471 17763 453 1 5 . 1 1 30 30 MET HA H 48 4.571 4.571 4.530 0.041 17763 454 1 5 . 1 1 30 30 MET H H 48 9.039 9.039 8.411 0.628 17763 455 1 5 . 1 1 31 31 GLY H H 49 6.977 6.977 7.650 -0.673 17763 456 1 5 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.828 -0.292 17763 457 1 5 . 1 1 32 32 ASN H H 50 8.052 8.052 8.414 -0.362 17763 458 1 5 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.822 -0.131 17763 459 1 5 . 1 1 33 33 CYS H H 51 7.461 7.461 7.862 -0.401 17763 460 1 5 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.862 0.604 17763 461 1 5 . 1 1 34 34 CYS H H 52 8.834 8.834 8.848 -0.014 17763 462 1 5 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.193 0.423 17763 463 1 5 . 1 1 35 35 LYS H H 53 9.150 9.150 8.177 0.973 17763 464 1 5 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.374 -0.084 17763 465 1 5 . 1 1 36 36 VAL H H 54 8.124 8.124 8.495 -0.371 17763 466 1 5 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.713 -0.535 17763 467 1 5 . 1 1 37 37 TYR H H 55 8.967 8.967 8.863 0.104 17763 468 1 5 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.411 0.334 17763 469 1 5 . 1 1 38 38 GLU H H 56 8.462 8.462 8.447 0.015 17763 470 1 5 . 1 1 39 39 GLY H H 57 9.262 9.262 8.774 0.488 17763 471 1 5 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.427 0.180 17763 472 1 5 . 1 1 40 40 CYS H H 58 8.957 8.957 8.584 0.373 17763 473 1 5 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.946 -0.132 17763 474 1 5 . 1 1 41 41 TYR H H 59 7.888 7.888 8.313 -0.425 17763 475 1 5 . 1 1 42 42 THR HA H 60 4.304 4.304 4.439 -0.135 17763 476 1 5 . 1 1 42 42 THR H H 60 8.623 8.623 8.438 0.185 17763 477 1 5 . 1 1 43 43 GLY H H 61 7.479 7.479 7.804 -0.325 17763 478 1 5 . 1 1 44 44 GLY H H 62 8.005 8.005 8.158 -0.153 17763 479 1 5 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.519 0.162 17763 480 1 5 . 1 1 45 45 TYR H H 63 8.884 8.884 8.237 0.647 17763 481 1 5 . 1 1 46 46 SER HA H 64 4.504 4.504 4.337 0.167 17763 482 1 5 . 1 1 46 46 SER H H 64 9.090 9.090 8.697 0.393 17763 483 1 5 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.542 0.043 17763 484 1 5 . 1 1 47 47 ARG H H 65 7.182 7.182 7.784 -0.602 17763 485 1 5 . 1 1 48 48 MET HA H 66 3.176 3.176 4.127 -0.951 17763 486 1 5 . 1 1 48 48 MET H H 66 8.312 8.312 8.565 -0.253 17763 487 1 5 . 1 1 49 49 GLY H H 67 8.757 8.757 8.395 0.362 17763 488 1 5 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.142 -0.340 17763 489 1 5 . 1 1 50 50 GLU H H 68 6.370 6.370 7.694 -1.324 17763 490 1 5 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.317 -0.601 17763 491 1 5 . 1 1 51 51 CYS H H 69 6.810 6.810 7.398 -0.588 17763 492 1 5 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.050 -0.310 17763 493 1 5 . 1 1 52 52 ALA H H 70 8.534 8.534 7.634 0.900 17763 494 1 5 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.054 0.011 17763 495 1 5 . 1 1 53 53 ARG H H 71 6.930 6.930 7.739 -0.809 17763 496 1 5 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.769 -0.002 17763 497 1 5 . 1 1 54 54 ASN H H 72 7.267 7.267 7.500 -0.233 17763 498 1 5 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.566 0.563 17763 499 1 5 . 1 1 55 55 CYS H H 73 6.995 6.995 8.085 -1.090 17763 500 1 5 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.345 0.391 17763 501 1 6 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.783 -0.101 17763 502 1 6 . 1 1 2 2 ASP H H 20 8.665 8.665 8.363 0.302 17763 503 1 6 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.384 -0.161 17763 504 1 6 . 1 1 3 3 LYS H H 21 8.401 8.401 8.408 -0.007 17763 505 1 6 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.563 -0.289 17763 506 1 6 . 1 1 4 4 GLU H H 22 8.227 8.227 8.457 -0.230 17763 507 1 6 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.511 -0.201 17763 508 1 6 . 1 1 5 5 GLU H H 23 8.242 8.242 8.391 -0.149 17763 509 1 6 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.624 0.193 17763 510 1 6 . 1 1 6 6 CYS H H 24 8.465 8.465 8.499 -0.034 17763 511 1 6 . 1 1 7 7 THR HA H 25 4.298 4.298 4.319 -0.021 17763 512 1 6 . 1 1 7 7 THR H H 25 8.443 8.443 8.486 -0.043 17763 513 1 6 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.519 -0.475 17763 514 1 6 . 1 1 8 8 VAL H H 26 8.287 8.287 8.032 0.255 17763 515 1 6 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.757 -0.425 17763 516 1 6 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.950 -0.059 17763 517 1 6 . 1 1 10 10 ILE H H 28 8.285 8.285 8.394 -0.109 17763 518 1 6 . 1 1 11 11 GLY H H 29 8.783 8.783 7.919 0.864 17763 519 1 6 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.576 -0.273 17763 520 1 6 . 1 1 12 12 TRP H H 30 7.757 7.757 7.561 0.196 17763 521 1 6 . 1 1 13 13 SER HA H 31 4.251 4.251 4.271 -0.020 17763 522 1 6 . 1 1 13 13 SER H H 31 7.823 7.823 7.352 0.471 17763 523 1 6 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.425 -0.278 17763 524 1 6 . 1 1 14 14 GLU H H 32 8.198 8.198 7.714 0.484 17763 525 1 6 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.322 -0.381 17763 526 1 6 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.213 -0.389 17763 527 1 6 . 1 1 16 16 VAL H H 34 8.116 8.116 8.417 -0.301 17763 528 1 6 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.497 0.227 17763 529 1 6 . 1 1 17 17 LYS H H 35 8.385 8.385 8.472 -0.087 17763 530 1 6 . 1 1 18 18 GLY H H 36 8.071 8.071 8.321 -0.250 17763 531 1 6 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.877 0.497 17763 532 1 6 . 1 1 19 19 LEU H H 37 8.398 8.398 7.860 0.538 17763 533 1 6 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.606 0.228 17763 534 1 6 . 1 1 20 20 CYS H H 38 7.946 7.946 7.695 0.251 17763 535 1 6 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.111 0.173 17763 536 1 6 . 1 1 21 21 LYS H H 39 8.432 8.432 8.440 -0.007 17763 537 1 6 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.327 -0.422 17763 538 1 6 . 1 1 22 22 ALA H H 40 7.132 7.132 7.171 -0.040 17763 539 1 6 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.468 -0.413 17763 540 1 6 . 1 1 23 23 ARG H H 41 8.059 8.059 8.289 -0.230 17763 541 1 6 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.698 0.349 17763 542 1 6 . 1 1 24 24 PHE H H 42 8.118 8.118 7.897 0.221 17763 543 1 6 . 1 1 25 25 THR HA H 43 4.824 4.824 4.951 -0.127 17763 544 1 6 . 1 1 25 25 THR H H 43 8.752 8.752 8.317 0.435 17763 545 1 6 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.886 -0.069 17763 546 1 6 . 1 1 26 26 ARG H H 44 8.792 8.792 8.822 -0.030 17763 547 1 6 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.147 -0.076 17763 548 1 6 . 1 1 27 27 TYR H H 45 8.866 8.866 8.667 0.199 17763 549 1 6 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.084 -0.160 17763 550 1 6 . 1 1 28 28 TYR H H 46 9.194 9.194 9.485 -0.290 17763 551 1 6 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.892 -0.134 17763 552 1 6 . 1 1 29 29 CYS H H 47 9.450 9.450 9.527 -0.077 17763 553 1 6 . 1 1 30 30 MET HA H 48 4.571 4.571 4.543 0.028 17763 554 1 6 . 1 1 30 30 MET H H 48 9.039 9.039 9.160 -0.121 17763 555 1 6 . 1 1 31 31 GLY H H 49 6.977 6.977 8.432 -1.455 17763 556 1 6 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.751 -0.215 17763 557 1 6 . 1 1 32 32 ASN H H 50 8.052 8.052 7.866 0.186 17763 558 1 6 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.810 -0.119 17763 559 1 6 . 1 1 33 33 CYS H H 51 7.461 7.461 7.840 -0.379 17763 560 1 6 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.290 0.176 17763 561 1 6 . 1 1 34 34 CYS H H 52 8.834 8.834 8.733 0.101 17763 562 1 6 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.743 -0.127 17763 563 1 6 . 1 1 35 35 LYS H H 53 9.150 9.150 9.123 0.027 17763 564 1 6 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.614 -0.324 17763 565 1 6 . 1 1 36 36 VAL H H 54 8.124 8.124 8.516 -0.392 17763 566 1 6 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.646 -0.468 17763 567 1 6 . 1 1 37 37 TYR H H 55 8.967 8.967 9.167 -0.200 17763 568 1 6 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.441 0.304 17763 569 1 6 . 1 1 38 38 GLU H H 56 8.462 8.462 8.946 -0.484 17763 570 1 6 . 1 1 39 39 GLY H H 57 9.262 9.262 8.362 0.900 17763 571 1 6 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.954 0.653 17763 572 1 6 . 1 1 40 40 CYS H H 58 8.957 8.957 7.933 1.024 17763 573 1 6 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.894 -0.080 17763 574 1 6 . 1 1 41 41 TYR H H 59 7.888 7.888 8.367 -0.479 17763 575 1 6 . 1 1 42 42 THR HA H 60 4.304 4.304 4.424 -0.120 17763 576 1 6 . 1 1 42 42 THR H H 60 8.623 8.623 8.562 0.061 17763 577 1 6 . 1 1 43 43 GLY H H 61 7.479 7.479 7.875 -0.396 17763 578 1 6 . 1 1 44 44 GLY H H 62 8.005 8.005 7.848 0.157 17763 579 1 6 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.658 0.023 17763 580 1 6 . 1 1 45 45 TYR H H 63 8.884 8.884 8.143 0.741 17763 581 1 6 . 1 1 46 46 SER HA H 64 4.504 4.504 4.467 0.037 17763 582 1 6 . 1 1 46 46 SER H H 64 9.090 9.090 8.790 0.300 17763 583 1 6 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.418 0.167 17763 584 1 6 . 1 1 47 47 ARG H H 65 7.182 7.182 7.734 -0.552 17763 585 1 6 . 1 1 48 48 MET HA H 66 3.176 3.176 3.900 -0.724 17763 586 1 6 . 1 1 48 48 MET H H 66 8.312 8.312 8.246 0.066 17763 587 1 6 . 1 1 49 49 GLY H H 67 8.757 8.757 8.455 0.302 17763 588 1 6 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.157 -0.355 17763 589 1 6 . 1 1 50 50 GLU H H 68 6.370 6.370 7.556 -1.186 17763 590 1 6 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.009 -0.293 17763 591 1 6 . 1 1 51 51 CYS H H 69 6.810 6.810 7.409 -0.599 17763 592 1 6 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.962 -0.222 17763 593 1 6 . 1 1 52 52 ALA H H 70 8.534 8.534 7.558 0.976 17763 594 1 6 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.035 0.030 17763 595 1 6 . 1 1 53 53 ARG H H 71 6.930 6.930 8.010 -1.080 17763 596 1 6 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.740 0.027 17763 597 1 6 . 1 1 54 54 ASN H H 72 7.267 7.267 7.502 -0.235 17763 598 1 6 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.497 0.632 17763 599 1 6 . 1 1 55 55 CYS H H 73 6.995 6.995 7.963 -0.968 17763 600 1 6 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.389 0.347 17763 601 1 7 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.997 -0.315 17763 602 1 7 . 1 1 2 2 ASP H H 20 8.665 8.665 8.563 0.102 17763 603 1 7 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.483 -0.260 17763 604 1 7 . 1 1 3 3 LYS H H 21 8.401 8.401 8.389 0.012 17763 605 1 7 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.192 0.082 17763 606 1 7 . 1 1 4 4 GLU H H 22 8.227 8.227 8.604 -0.377 17763 607 1 7 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.187 0.123 17763 608 1 7 . 1 1 5 5 GLU H H 23 8.242 8.242 7.505 0.737 17763 609 1 7 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.394 0.423 17763 610 1 7 . 1 1 6 6 CYS H H 24 8.465 8.465 8.635 -0.170 17763 611 1 7 . 1 1 7 7 THR HA H 25 4.298 4.298 4.523 -0.225 17763 612 1 7 . 1 1 7 7 THR H H 25 8.443 8.443 8.282 0.161 17763 613 1 7 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.288 -0.244 17763 614 1 7 . 1 1 8 8 VAL H H 26 8.287 8.287 8.162 0.125 17763 615 1 7 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.687 -0.355 17763 616 1 7 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.983 -0.092 17763 617 1 7 . 1 1 10 10 ILE H H 28 8.285 8.285 8.282 0.003 17763 618 1 7 . 1 1 11 11 GLY H H 29 8.783 8.783 8.707 0.076 17763 619 1 7 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.591 -0.288 17763 620 1 7 . 1 1 12 12 TRP H H 30 7.757 7.757 7.819 -0.062 17763 621 1 7 . 1 1 13 13 SER HA H 31 4.251 4.251 4.387 -0.136 17763 622 1 7 . 1 1 13 13 SER H H 31 7.823 7.823 7.560 0.263 17763 623 1 7 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.524 -0.377 17763 624 1 7 . 1 1 14 14 GLU H H 32 8.198 8.198 7.979 0.219 17763 625 1 7 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.414 -0.473 17763 626 1 7 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.271 -0.447 17763 627 1 7 . 1 1 16 16 VAL H H 34 8.116 8.116 8.350 -0.234 17763 628 1 7 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.302 0.422 17763 629 1 7 . 1 1 17 17 LYS H H 35 8.385 8.385 8.434 -0.049 17763 630 1 7 . 1 1 18 18 GLY H H 36 8.071 8.071 8.265 -0.194 17763 631 1 7 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.896 0.478 17763 632 1 7 . 1 1 19 19 LEU H H 37 8.398 8.398 7.985 0.413 17763 633 1 7 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.377 0.457 17763 634 1 7 . 1 1 20 20 CYS H H 38 7.946 7.946 7.948 -0.002 17763 635 1 7 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.025 0.259 17763 636 1 7 . 1 1 21 21 LYS H H 39 8.432 8.432 8.663 -0.231 17763 637 1 7 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.262 -0.357 17763 638 1 7 . 1 1 22 22 ALA H H 40 7.132 7.132 7.881 -0.749 17763 639 1 7 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.446 -0.391 17763 640 1 7 . 1 1 23 23 ARG H H 41 8.059 8.059 8.394 -0.335 17763 641 1 7 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.533 0.514 17763 642 1 7 . 1 1 24 24 PHE H H 42 8.118 8.118 8.043 0.075 17763 643 1 7 . 1 1 25 25 THR HA H 43 4.824 4.824 4.921 -0.097 17763 644 1 7 . 1 1 25 25 THR H H 43 8.752 8.752 8.273 0.479 17763 645 1 7 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.236 -0.419 17763 646 1 7 . 1 1 26 26 ARG H H 44 8.792 8.792 9.008 -0.216 17763 647 1 7 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.414 -0.343 17763 648 1 7 . 1 1 27 27 TYR H H 45 8.866 8.866 9.006 -0.140 17763 649 1 7 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.112 -0.188 17763 650 1 7 . 1 1 28 28 TYR H H 46 9.194 9.194 9.447 -0.253 17763 651 1 7 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.856 -0.098 17763 652 1 7 . 1 1 29 29 CYS H H 47 9.450 9.450 9.467 -0.017 17763 653 1 7 . 1 1 30 30 MET HA H 48 4.571 4.571 4.319 0.252 17763 654 1 7 . 1 1 30 30 MET H H 48 9.039 9.039 9.028 0.011 17763 655 1 7 . 1 1 31 31 GLY H H 49 6.977 6.977 7.386 -0.409 17763 656 1 7 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.247 0.289 17763 657 1 7 . 1 1 32 32 ASN H H 50 8.052 8.052 8.843 -0.791 17763 658 1 7 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.807 -0.116 17763 659 1 7 . 1 1 33 33 CYS H H 51 7.461 7.461 7.859 -0.398 17763 660 1 7 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.456 0.010 17763 661 1 7 . 1 1 34 34 CYS H H 52 8.834 8.834 8.826 0.008 17763 662 1 7 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.716 -0.100 17763 663 1 7 . 1 1 35 35 LYS H H 53 9.150 9.150 9.083 0.067 17763 664 1 7 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.385 -0.095 17763 665 1 7 . 1 1 36 36 VAL H H 54 8.124 8.124 8.361 -0.237 17763 666 1 7 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.529 -0.351 17763 667 1 7 . 1 1 37 37 TYR H H 55 8.967 8.967 8.999 -0.032 17763 668 1 7 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.423 0.322 17763 669 1 7 . 1 1 38 38 GLU H H 56 8.462 8.462 8.810 -0.348 17763 670 1 7 . 1 1 39 39 GLY H H 57 9.262 9.262 8.585 0.677 17763 671 1 7 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.442 1.165 17763 672 1 7 . 1 1 40 40 CYS H H 58 8.957 8.957 8.444 0.513 17763 673 1 7 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.517 0.297 17763 674 1 7 . 1 1 41 41 TYR H H 59 7.888 7.888 8.310 -0.422 17763 675 1 7 . 1 1 42 42 THR HA H 60 4.304 4.304 4.510 -0.206 17763 676 1 7 . 1 1 42 42 THR H H 60 8.623 8.623 8.338 0.285 17763 677 1 7 . 1 1 43 43 GLY H H 61 7.479 7.479 8.214 -0.735 17763 678 1 7 . 1 1 44 44 GLY H H 62 8.005 8.005 7.317 0.688 17763 679 1 7 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.455 0.226 17763 680 1 7 . 1 1 45 45 TYR H H 63 8.884 8.884 7.979 0.905 17763 681 1 7 . 1 1 46 46 SER HA H 64 4.504 4.504 4.433 0.071 17763 682 1 7 . 1 1 46 46 SER H H 64 9.090 9.090 8.937 0.153 17763 683 1 7 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.421 0.164 17763 684 1 7 . 1 1 47 47 ARG H H 65 7.182 7.182 7.572 -0.390 17763 685 1 7 . 1 1 48 48 MET HA H 66 3.176 3.176 4.010 -0.834 17763 686 1 7 . 1 1 48 48 MET H H 66 8.312 8.312 7.987 0.325 17763 687 1 7 . 1 1 49 49 GLY H H 67 8.757 8.757 8.418 0.339 17763 688 1 7 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.318 -0.516 17763 689 1 7 . 1 1 50 50 GLU H H 68 6.370 6.370 7.524 -1.154 17763 690 1 7 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.938 -0.222 17763 691 1 7 . 1 1 51 51 CYS H H 69 6.810 6.810 7.415 -0.605 17763 692 1 7 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.061 -0.321 17763 693 1 7 . 1 1 52 52 ALA H H 70 8.534 8.534 7.542 0.992 17763 694 1 7 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.135 -0.070 17763 695 1 7 . 1 1 53 53 ARG H H 71 6.930 6.930 7.375 -0.445 17763 696 1 7 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.712 0.055 17763 697 1 7 . 1 1 54 54 ASN H H 72 7.267 7.267 7.720 -0.453 17763 698 1 7 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.749 0.380 17763 699 1 7 . 1 1 55 55 CYS H H 73 6.995 6.995 8.146 -1.151 17763 700 1 7 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.421 0.315 17763 701 1 8 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.776 -0.094 17763 702 1 8 . 1 1 2 2 ASP H H 20 8.665 8.665 8.131 0.534 17763 703 1 8 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.252 -0.029 17763 704 1 8 . 1 1 3 3 LYS H H 21 8.401 8.401 8.387 0.014 17763 705 1 8 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.443 -0.169 17763 706 1 8 . 1 1 4 4 GLU H H 22 8.227 8.227 8.080 0.147 17763 707 1 8 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.308 0.002 17763 708 1 8 . 1 1 5 5 GLU H H 23 8.242 8.242 8.649 -0.407 17763 709 1 8 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.706 0.111 17763 710 1 8 . 1 1 6 6 CYS H H 24 8.465 8.465 8.639 -0.174 17763 711 1 8 . 1 1 7 7 THR HA H 25 4.298 4.298 4.581 -0.283 17763 712 1 8 . 1 1 7 7 THR H H 25 8.443 8.443 8.374 0.069 17763 713 1 8 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.406 -0.362 17763 714 1 8 . 1 1 8 8 VAL H H 26 8.287 8.287 7.801 0.486 17763 715 1 8 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.659 -0.327 17763 716 1 8 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.917 -0.026 17763 717 1 8 . 1 1 10 10 ILE H H 28 8.285 8.285 8.376 -0.091 17763 718 1 8 . 1 1 11 11 GLY H H 29 8.783 8.783 7.893 0.890 17763 719 1 8 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.571 -0.268 17763 720 1 8 . 1 1 12 12 TRP H H 30 7.757 7.757 7.661 0.096 17763 721 1 8 . 1 1 13 13 SER HA H 31 4.251 4.251 4.263 -0.012 17763 722 1 8 . 1 1 13 13 SER H H 31 7.823 7.823 7.510 0.313 17763 723 1 8 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.681 -0.534 17763 724 1 8 . 1 1 14 14 GLU H H 32 8.198 8.198 7.770 0.428 17763 725 1 8 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.389 -0.448 17763 726 1 8 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.235 -0.411 17763 727 1 8 . 1 1 16 16 VAL H H 34 8.116 8.116 8.430 -0.314 17763 728 1 8 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.284 0.440 17763 729 1 8 . 1 1 17 17 LYS H H 35 8.385 8.385 8.473 -0.088 17763 730 1 8 . 1 1 18 18 GLY H H 36 8.071 8.071 8.128 -0.057 17763 731 1 8 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.864 0.510 17763 732 1 8 . 1 1 19 19 LEU H H 37 8.398 8.398 7.725 0.673 17763 733 1 8 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.510 0.324 17763 734 1 8 . 1 1 20 20 CYS H H 38 7.946 7.946 8.279 -0.333 17763 735 1 8 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.160 0.124 17763 736 1 8 . 1 1 21 21 LYS H H 39 8.432 8.432 8.635 -0.203 17763 737 1 8 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.387 -0.482 17763 738 1 8 . 1 1 22 22 ALA H H 40 7.132 7.132 7.689 -0.557 17763 739 1 8 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.423 -0.368 17763 740 1 8 . 1 1 23 23 ARG H H 41 8.059 8.059 8.413 -0.354 17763 741 1 8 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.565 0.482 17763 742 1 8 . 1 1 24 24 PHE H H 42 8.118 8.118 7.995 0.123 17763 743 1 8 . 1 1 25 25 THR HA H 43 4.824 4.824 4.883 -0.059 17763 744 1 8 . 1 1 25 25 THR H H 43 8.752 8.752 8.391 0.361 17763 745 1 8 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.915 -0.098 17763 746 1 8 . 1 1 26 26 ARG H H 44 8.792 8.792 9.036 -0.244 17763 747 1 8 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.247 -0.176 17763 748 1 8 . 1 1 27 27 TYR H H 45 8.866 8.866 8.876 -0.010 17763 749 1 8 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.060 -0.136 17763 750 1 8 . 1 1 28 28 TYR H H 46 9.194 9.194 9.484 -0.290 17763 751 1 8 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.028 -0.270 17763 752 1 8 . 1 1 29 29 CYS H H 47 9.450 9.450 9.488 -0.038 17763 753 1 8 . 1 1 30 30 MET HA H 48 4.571 4.571 4.930 -0.359 17763 754 1 8 . 1 1 30 30 MET H H 48 9.039 9.039 9.060 -0.021 17763 755 1 8 . 1 1 31 31 GLY H H 49 6.977 6.977 8.990 -2.013 17763 756 1 8 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.809 -0.273 17763 757 1 8 . 1 1 32 32 ASN H H 50 8.052 8.052 8.179 -0.127 17763 758 1 8 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.710 -0.019 17763 759 1 8 . 1 1 33 33 CYS H H 51 7.461 7.461 7.686 -0.225 17763 760 1 8 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.277 0.189 17763 761 1 8 . 1 1 34 34 CYS H H 52 8.834 8.834 8.936 -0.102 17763 762 1 8 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.807 -0.191 17763 763 1 8 . 1 1 35 35 LYS H H 53 9.150 9.150 9.072 0.078 17763 764 1 8 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.385 -0.095 17763 765 1 8 . 1 1 36 36 VAL H H 54 8.124 8.124 8.590 -0.466 17763 766 1 8 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.650 -0.472 17763 767 1 8 . 1 1 37 37 TYR H H 55 8.967 8.967 8.952 0.015 17763 768 1 8 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.427 0.318 17763 769 1 8 . 1 1 38 38 GLU H H 56 8.462 8.462 8.718 -0.256 17763 770 1 8 . 1 1 39 39 GLY H H 57 9.262 9.262 8.486 0.776 17763 771 1 8 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.747 0.860 17763 772 1 8 . 1 1 40 40 CYS H H 58 8.957 8.957 8.444 0.513 17763 773 1 8 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.578 0.236 17763 774 1 8 . 1 1 41 41 TYR H H 59 7.888 7.888 8.292 -0.404 17763 775 1 8 . 1 1 42 42 THR HA H 60 4.304 4.304 4.609 -0.305 17763 776 1 8 . 1 1 42 42 THR H H 60 8.623 8.623 8.810 -0.187 17763 777 1 8 . 1 1 43 43 GLY H H 61 7.479 7.479 8.058 -0.579 17763 778 1 8 . 1 1 44 44 GLY H H 62 8.005 8.005 7.907 0.098 17763 779 1 8 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.685 -0.004 17763 780 1 8 . 1 1 45 45 TYR H H 63 8.884 8.884 7.622 1.262 17763 781 1 8 . 1 1 46 46 SER HA H 64 4.504 4.504 4.403 0.101 17763 782 1 8 . 1 1 46 46 SER H H 64 9.090 9.090 8.808 0.282 17763 783 1 8 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.564 0.021 17763 784 1 8 . 1 1 47 47 ARG H H 65 7.182 7.182 7.768 -0.586 17763 785 1 8 . 1 1 48 48 MET HA H 66 3.176 3.176 4.018 -0.842 17763 786 1 8 . 1 1 48 48 MET H H 66 8.312 8.312 8.092 0.220 17763 787 1 8 . 1 1 49 49 GLY H H 67 8.757 8.757 8.453 0.304 17763 788 1 8 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.072 -0.270 17763 789 1 8 . 1 1 50 50 GLU H H 68 6.370 6.370 8.485 -2.115 17763 790 1 8 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.306 -0.590 17763 791 1 8 . 1 1 51 51 CYS H H 69 6.810 6.810 7.286 -0.476 17763 792 1 8 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.048 -0.308 17763 793 1 8 . 1 1 52 52 ALA H H 70 8.534 8.534 8.171 0.363 17763 794 1 8 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.055 0.010 17763 795 1 8 . 1 1 53 53 ARG H H 71 6.930 6.930 7.994 -1.064 17763 796 1 8 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.760 0.007 17763 797 1 8 . 1 1 54 54 ASN H H 72 7.267 7.267 7.539 -0.272 17763 798 1 8 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.563 0.566 17763 799 1 8 . 1 1 55 55 CYS H H 73 6.995 6.995 8.178 -1.183 17763 800 1 8 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.414 0.322 17763 801 1 9 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.708 -0.026 17763 802 1 9 . 1 1 2 2 ASP H H 20 8.665 8.665 8.188 0.477 17763 803 1 9 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.420 -0.197 17763 804 1 9 . 1 1 3 3 LYS H H 21 8.401 8.401 8.177 0.224 17763 805 1 9 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.561 -0.287 17763 806 1 9 . 1 1 4 4 GLU H H 22 8.227 8.227 8.441 -0.214 17763 807 1 9 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.562 -0.252 17763 808 1 9 . 1 1 5 5 GLU H H 23 8.242 8.242 8.524 -0.282 17763 809 1 9 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.817 -0.000 17763 810 1 9 . 1 1 6 6 CYS H H 24 8.465 8.465 8.562 -0.097 17763 811 1 9 . 1 1 7 7 THR HA H 25 4.298 4.298 4.664 -0.366 17763 812 1 9 . 1 1 7 7 THR H H 25 8.443 8.443 8.060 0.383 17763 813 1 9 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.402 -0.358 17763 814 1 9 . 1 1 8 8 VAL H H 26 8.287 8.287 7.996 0.291 17763 815 1 9 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.513 -0.181 17763 816 1 9 . 1 1 10 10 ILE HA H 28 3.891 3.891 4.039 -0.148 17763 817 1 9 . 1 1 10 10 ILE H H 28 8.285 8.285 8.246 0.039 17763 818 1 9 . 1 1 11 11 GLY H H 29 8.783 8.783 8.699 0.084 17763 819 1 9 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.575 -0.272 17763 820 1 9 . 1 1 12 12 TRP H H 30 7.757 7.757 7.842 -0.085 17763 821 1 9 . 1 1 13 13 SER HA H 31 4.251 4.251 4.331 -0.080 17763 822 1 9 . 1 1 13 13 SER H H 31 7.823 7.823 7.343 0.480 17763 823 1 9 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.559 -0.412 17763 824 1 9 . 1 1 14 14 GLU H H 32 8.198 8.198 7.937 0.261 17763 825 1 9 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.320 -0.379 17763 826 1 9 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.323 -0.499 17763 827 1 9 . 1 1 16 16 VAL H H 34 8.116 8.116 8.410 -0.294 17763 828 1 9 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.783 -0.059 17763 829 1 9 . 1 1 17 17 LYS H H 35 8.385 8.385 8.463 -0.078 17763 830 1 9 . 1 1 18 18 GLY H H 36 8.071 8.071 8.511 -0.440 17763 831 1 9 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.869 0.505 17763 832 1 9 . 1 1 19 19 LEU H H 37 8.398 8.398 7.741 0.657 17763 833 1 9 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.421 0.413 17763 834 1 9 . 1 1 20 20 CYS H H 38 7.946 7.946 7.910 0.036 17763 835 1 9 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.031 0.253 17763 836 1 9 . 1 1 21 21 LYS H H 39 8.432 8.432 8.432 -0.000 17763 837 1 9 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.266 -0.361 17763 838 1 9 . 1 1 22 22 ALA H H 40 7.132 7.132 7.648 -0.516 17763 839 1 9 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.330 -0.275 17763 840 1 9 . 1 1 23 23 ARG H H 41 8.059 8.059 8.069 -0.010 17763 841 1 9 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.846 0.201 17763 842 1 9 . 1 1 24 24 PHE H H 42 8.118 8.118 8.360 -0.242 17763 843 1 9 . 1 1 25 25 THR HA H 43 4.824 4.824 5.007 -0.183 17763 844 1 9 . 1 1 25 25 THR H H 43 8.752 8.752 8.662 0.090 17763 845 1 9 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.940 -0.123 17763 846 1 9 . 1 1 26 26 ARG H H 44 8.792 8.792 8.841 -0.049 17763 847 1 9 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.328 -0.257 17763 848 1 9 . 1 1 27 27 TYR H H 45 8.866 8.866 8.789 0.077 17763 849 1 9 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.136 -0.212 17763 850 1 9 . 1 1 28 28 TYR H H 46 9.194 9.194 9.345 -0.151 17763 851 1 9 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.947 -0.189 17763 852 1 9 . 1 1 29 29 CYS H H 47 9.450 9.450 9.590 -0.140 17763 853 1 9 . 1 1 30 30 MET HA H 48 4.571 4.571 4.415 0.156 17763 854 1 9 . 1 1 30 30 MET H H 48 9.039 9.039 8.890 0.149 17763 855 1 9 . 1 1 31 31 GLY H H 49 6.977 6.977 8.738 -1.761 17763 856 1 9 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.833 -0.297 17763 857 1 9 . 1 1 32 32 ASN H H 50 8.052 8.052 8.153 -0.101 17763 858 1 9 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.782 -0.091 17763 859 1 9 . 1 1 33 33 CYS H H 51 7.461 7.461 7.301 0.160 17763 860 1 9 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.794 0.672 17763 861 1 9 . 1 1 34 34 CYS H H 52 8.834 8.834 8.932 -0.098 17763 862 1 9 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.359 0.257 17763 863 1 9 . 1 1 35 35 LYS H H 53 9.150 9.150 8.718 0.432 17763 864 1 9 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.238 0.052 17763 865 1 9 . 1 1 36 36 VAL H H 54 8.124 8.124 8.539 -0.415 17763 866 1 9 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.589 -0.411 17763 867 1 9 . 1 1 37 37 TYR H H 55 8.967 8.967 9.000 -0.033 17763 868 1 9 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.327 0.418 17763 869 1 9 . 1 1 38 38 GLU H H 56 8.462 8.462 8.720 -0.258 17763 870 1 9 . 1 1 39 39 GLY H H 57 9.262 9.262 8.674 0.588 17763 871 1 9 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.577 0.030 17763 872 1 9 . 1 1 40 40 CYS H H 58 8.957 8.957 8.442 0.515 17763 873 1 9 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.973 -0.159 17763 874 1 9 . 1 1 41 41 TYR H H 59 7.888 7.888 8.206 -0.318 17763 875 1 9 . 1 1 42 42 THR HA H 60 4.304 4.304 4.597 -0.293 17763 876 1 9 . 1 1 42 42 THR H H 60 8.623 8.623 8.731 -0.108 17763 877 1 9 . 1 1 43 43 GLY H H 61 7.479 7.479 8.169 -0.690 17763 878 1 9 . 1 1 44 44 GLY H H 62 8.005 8.005 7.894 0.111 17763 879 1 9 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.601 0.080 17763 880 1 9 . 1 1 45 45 TYR H H 63 8.884 8.884 7.431 1.453 17763 881 1 9 . 1 1 46 46 SER HA H 64 4.504 4.504 4.305 0.199 17763 882 1 9 . 1 1 46 46 SER H H 64 9.090 9.090 8.848 0.242 17763 883 1 9 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.628 -0.043 17763 884 1 9 . 1 1 47 47 ARG H H 65 7.182 7.182 7.641 -0.459 17763 885 1 9 . 1 1 48 48 MET HA H 66 3.176 3.176 3.858 -0.682 17763 886 1 9 . 1 1 48 48 MET H H 66 8.312 8.312 8.207 0.105 17763 887 1 9 . 1 1 49 49 GLY H H 67 8.757 8.757 8.523 0.234 17763 888 1 9 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.249 -0.447 17763 889 1 9 . 1 1 50 50 GLU H H 68 6.370 6.370 7.659 -1.289 17763 890 1 9 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.144 -0.428 17763 891 1 9 . 1 1 51 51 CYS H H 69 6.810 6.810 7.472 -0.662 17763 892 1 9 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.026 -0.286 17763 893 1 9 . 1 1 52 52 ALA H H 70 8.534 8.534 8.161 0.373 17763 894 1 9 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.171 -0.106 17763 895 1 9 . 1 1 53 53 ARG H H 71 6.930 6.930 7.703 -0.773 17763 896 1 9 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.801 -0.034 17763 897 1 9 . 1 1 54 54 ASN H H 72 7.267 7.267 7.772 -0.505 17763 898 1 9 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.528 0.601 17763 899 1 9 . 1 1 55 55 CYS H H 73 6.995 6.995 8.216 -1.221 17763 900 1 9 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.386 0.350 17763 901 1 10 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.714 -0.032 17763 902 1 10 . 1 1 2 2 ASP H H 20 8.665 8.665 8.611 0.054 17763 903 1 10 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.497 -0.274 17763 904 1 10 . 1 1 3 3 LYS H H 21 8.401 8.401 8.259 0.142 17763 905 1 10 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.411 -0.137 17763 906 1 10 . 1 1 4 4 GLU H H 22 8.227 8.227 8.684 -0.457 17763 907 1 10 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.293 0.017 17763 908 1 10 . 1 1 5 5 GLU H H 23 8.242 8.242 8.077 0.165 17763 909 1 10 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.683 0.134 17763 910 1 10 . 1 1 6 6 CYS H H 24 8.465 8.465 8.786 -0.321 17763 911 1 10 . 1 1 7 7 THR HA H 25 4.298 4.298 4.614 -0.316 17763 912 1 10 . 1 1 7 7 THR H H 25 8.443 8.443 8.204 0.239 17763 913 1 10 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.530 -0.486 17763 914 1 10 . 1 1 8 8 VAL H H 26 8.287 8.287 8.078 0.209 17763 915 1 10 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.619 -0.287 17763 916 1 10 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.949 -0.058 17763 917 1 10 . 1 1 10 10 ILE H H 28 8.285 8.285 8.436 -0.151 17763 918 1 10 . 1 1 11 11 GLY H H 29 8.783 8.783 7.959 0.824 17763 919 1 10 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.583 -0.280 17763 920 1 10 . 1 1 12 12 TRP H H 30 7.757 7.757 7.730 0.027 17763 921 1 10 . 1 1 13 13 SER HA H 31 4.251 4.251 4.295 -0.044 17763 922 1 10 . 1 1 13 13 SER H H 31 7.823 7.823 7.630 0.193 17763 923 1 10 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.610 -0.463 17763 924 1 10 . 1 1 14 14 GLU H H 32 8.198 8.198 8.011 0.187 17763 925 1 10 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.405 -0.464 17763 926 1 10 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.149 -0.325 17763 927 1 10 . 1 1 16 16 VAL H H 34 8.116 8.116 8.420 -0.304 17763 928 1 10 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.347 0.377 17763 929 1 10 . 1 1 17 17 LYS H H 35 8.385 8.385 8.411 -0.026 17763 930 1 10 . 1 1 18 18 GLY H H 36 8.071 8.071 8.321 -0.250 17763 931 1 10 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.892 0.482 17763 932 1 10 . 1 1 19 19 LEU H H 37 8.398 8.398 7.958 0.440 17763 933 1 10 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.394 0.440 17763 934 1 10 . 1 1 20 20 CYS H H 38 7.946 7.946 7.937 0.009 17763 935 1 10 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.087 0.197 17763 936 1 10 . 1 1 21 21 LYS H H 39 8.432 8.432 8.578 -0.146 17763 937 1 10 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.340 -0.435 17763 938 1 10 . 1 1 22 22 ALA H H 40 7.132 7.132 7.839 -0.707 17763 939 1 10 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.362 -0.307 17763 940 1 10 . 1 1 23 23 ARG H H 41 8.059 8.059 8.085 -0.026 17763 941 1 10 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.486 0.561 17763 942 1 10 . 1 1 24 24 PHE H H 42 8.118 8.118 7.894 0.224 17763 943 1 10 . 1 1 25 25 THR HA H 43 4.824 4.824 4.752 0.072 17763 944 1 10 . 1 1 25 25 THR H H 43 8.752 8.752 8.296 0.456 17763 945 1 10 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.159 -0.342 17763 946 1 10 . 1 1 26 26 ARG H H 44 8.792 8.792 8.729 0.063 17763 947 1 10 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.438 -0.367 17763 948 1 10 . 1 1 27 27 TYR H H 45 8.866 8.866 8.650 0.216 17763 949 1 10 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.027 -0.103 17763 950 1 10 . 1 1 28 28 TYR H H 46 9.194 9.194 9.555 -0.361 17763 951 1 10 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.743 0.015 17763 952 1 10 . 1 1 29 29 CYS H H 47 9.450 9.450 9.376 0.074 17763 953 1 10 . 1 1 30 30 MET HA H 48 4.571 4.571 4.392 0.179 17763 954 1 10 . 1 1 30 30 MET H H 48 9.039 9.039 8.889 0.150 17763 955 1 10 . 1 1 31 31 GLY H H 49 6.977 6.977 8.483 -1.506 17763 956 1 10 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.788 -0.252 17763 957 1 10 . 1 1 32 32 ASN H H 50 8.052 8.052 7.904 0.148 17763 958 1 10 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.902 -0.211 17763 959 1 10 . 1 1 33 33 CYS H H 51 7.461 7.461 7.506 -0.045 17763 960 1 10 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.868 0.598 17763 961 1 10 . 1 1 34 34 CYS H H 52 8.834 8.834 8.808 0.026 17763 962 1 10 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.443 0.173 17763 963 1 10 . 1 1 35 35 LYS H H 53 9.150 9.150 8.643 0.507 17763 964 1 10 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.791 -0.501 17763 965 1 10 . 1 1 36 36 VAL H H 54 8.124 8.124 8.259 -0.135 17763 966 1 10 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.619 -0.441 17763 967 1 10 . 1 1 37 37 TYR H H 55 8.967 8.967 9.163 -0.196 17763 968 1 10 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.438 0.307 17763 969 1 10 . 1 1 38 38 GLU H H 56 8.462 8.462 8.711 -0.249 17763 970 1 10 . 1 1 39 39 GLY H H 57 9.262 9.262 8.927 0.336 17763 971 1 10 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.432 1.175 17763 972 1 10 . 1 1 40 40 CYS H H 58 8.957 8.957 8.364 0.593 17763 973 1 10 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.576 0.238 17763 974 1 10 . 1 1 41 41 TYR H H 59 7.888 7.888 8.281 -0.393 17763 975 1 10 . 1 1 42 42 THR HA H 60 4.304 4.304 4.580 -0.276 17763 976 1 10 . 1 1 42 42 THR H H 60 8.623 8.623 8.698 -0.075 17763 977 1 10 . 1 1 43 43 GLY H H 61 7.479 7.479 8.423 -0.944 17763 978 1 10 . 1 1 44 44 GLY H H 62 8.005 8.005 7.438 0.567 17763 979 1 10 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.462 0.219 17763 980 1 10 . 1 1 45 45 TYR H H 63 8.884 8.884 8.314 0.570 17763 981 1 10 . 1 1 46 46 SER HA H 64 4.504 4.504 4.375 0.129 17763 982 1 10 . 1 1 46 46 SER H H 64 9.090 9.090 8.782 0.308 17763 983 1 10 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.435 0.150 17763 984 1 10 . 1 1 47 47 ARG H H 65 7.182 7.182 7.752 -0.570 17763 985 1 10 . 1 1 48 48 MET HA H 66 3.176 3.176 3.971 -0.795 17763 986 1 10 . 1 1 48 48 MET H H 66 8.312 8.312 7.951 0.361 17763 987 1 10 . 1 1 49 49 GLY H H 67 8.757 8.757 8.556 0.201 17763 988 1 10 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.152 -0.350 17763 989 1 10 . 1 1 50 50 GLU H H 68 6.370 6.370 7.722 -1.352 17763 990 1 10 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.518 -0.802 17763 991 1 10 . 1 1 51 51 CYS H H 69 6.810 6.810 7.232 -0.422 17763 992 1 10 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.955 -0.215 17763 993 1 10 . 1 1 52 52 ALA H H 70 8.534 8.534 8.076 0.458 17763 994 1 10 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.078 -0.013 17763 995 1 10 . 1 1 53 53 ARG H H 71 6.930 6.930 7.899 -0.969 17763 996 1 10 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.745 0.022 17763 997 1 10 . 1 1 54 54 ASN H H 72 7.267 7.267 7.486 -0.219 17763 998 1 10 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.504 0.625 17763 999 1 10 . 1 1 55 55 CYS H H 73 6.995 6.995 8.019 -1.024 17763 1000 1 10 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.344 0.392 17763 1001 1 11 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.821 -0.139 17763 1002 1 11 . 1 1 2 2 ASP H H 20 8.665 8.665 8.466 0.199 17763 1003 1 11 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.372 -0.149 17763 1004 1 11 . 1 1 3 3 LYS H H 21 8.401 8.401 8.329 0.072 17763 1005 1 11 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.216 0.058 17763 1006 1 11 . 1 1 4 4 GLU H H 22 8.227 8.227 8.075 0.152 17763 1007 1 11 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.127 0.183 17763 1008 1 11 . 1 1 5 5 GLU H H 23 8.242 8.242 8.624 -0.382 17763 1009 1 11 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.171 0.646 17763 1010 1 11 . 1 1 6 6 CYS H H 24 8.465 8.465 8.192 0.273 17763 1011 1 11 . 1 1 7 7 THR HA H 25 4.298 4.298 4.094 0.204 17763 1012 1 11 . 1 1 7 7 THR H H 25 8.443 8.443 8.007 0.436 17763 1013 1 11 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.250 -0.206 17763 1014 1 11 . 1 1 8 8 VAL H H 26 8.287 8.287 8.181 0.106 17763 1015 1 11 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.652 -0.320 17763 1016 1 11 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.983 -0.092 17763 1017 1 11 . 1 1 10 10 ILE H H 28 8.285 8.285 8.467 -0.182 17763 1018 1 11 . 1 1 11 11 GLY H H 29 8.783 8.783 7.920 0.863 17763 1019 1 11 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.706 -0.403 17763 1020 1 11 . 1 1 12 12 TRP H H 30 7.757 7.757 7.782 -0.025 17763 1021 1 11 . 1 1 13 13 SER HA H 31 4.251 4.251 4.346 -0.095 17763 1022 1 11 . 1 1 13 13 SER H H 31 7.823 7.823 7.669 0.154 17763 1023 1 11 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.405 -0.258 17763 1024 1 11 . 1 1 14 14 GLU H H 32 8.198 8.198 7.758 0.440 17763 1025 1 11 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.299 -0.358 17763 1026 1 11 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.280 -0.456 17763 1027 1 11 . 1 1 16 16 VAL H H 34 8.116 8.116 8.406 -0.290 17763 1028 1 11 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.509 0.215 17763 1029 1 11 . 1 1 17 17 LYS H H 35 8.385 8.385 8.492 -0.107 17763 1030 1 11 . 1 1 18 18 GLY H H 36 8.071 8.071 8.475 -0.404 17763 1031 1 11 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.957 0.417 17763 1032 1 11 . 1 1 19 19 LEU H H 37 8.398 8.398 7.758 0.640 17763 1033 1 11 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.366 0.468 17763 1034 1 11 . 1 1 20 20 CYS H H 38 7.946 7.946 7.946 -0.000 17763 1035 1 11 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.162 0.122 17763 1036 1 11 . 1 1 21 21 LYS H H 39 8.432 8.432 8.507 -0.075 17763 1037 1 11 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.509 -0.604 17763 1038 1 11 . 1 1 22 22 ALA H H 40 7.132 7.132 7.189 -0.057 17763 1039 1 11 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.436 -0.381 17763 1040 1 11 . 1 1 23 23 ARG H H 41 8.059 8.059 8.257 -0.198 17763 1041 1 11 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.625 0.422 17763 1042 1 11 . 1 1 24 24 PHE H H 42 8.118 8.118 7.087 1.031 17763 1043 1 11 . 1 1 25 25 THR HA H 43 4.824 4.824 4.628 0.196 17763 1044 1 11 . 1 1 25 25 THR H H 43 8.752 8.752 8.619 0.133 17763 1045 1 11 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.256 -0.439 17763 1046 1 11 . 1 1 26 26 ARG H H 44 8.792 8.792 8.581 0.211 17763 1047 1 11 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.295 -0.224 17763 1048 1 11 . 1 1 27 27 TYR H H 45 8.866 8.866 8.982 -0.116 17763 1049 1 11 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.064 -0.140 17763 1050 1 11 . 1 1 28 28 TYR H H 46 9.194 9.194 9.389 -0.195 17763 1051 1 11 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.828 -0.070 17763 1052 1 11 . 1 1 29 29 CYS H H 47 9.450 9.450 9.467 -0.017 17763 1053 1 11 . 1 1 30 30 MET HA H 48 4.571 4.571 4.571 -0.000 17763 1054 1 11 . 1 1 30 30 MET H H 48 9.039 9.039 8.691 0.348 17763 1055 1 11 . 1 1 31 31 GLY H H 49 6.977 6.977 8.813 -1.836 17763 1056 1 11 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.974 -0.438 17763 1057 1 11 . 1 1 32 32 ASN H H 50 8.052 8.052 7.875 0.177 17763 1058 1 11 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.907 -0.216 17763 1059 1 11 . 1 1 33 33 CYS H H 51 7.461 7.461 7.478 -0.017 17763 1060 1 11 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.892 0.574 17763 1061 1 11 . 1 1 34 34 CYS H H 52 8.834 8.834 8.856 -0.022 17763 1062 1 11 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.687 -0.071 17763 1063 1 11 . 1 1 35 35 LYS H H 53 9.150 9.150 9.178 -0.028 17763 1064 1 11 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.267 0.023 17763 1065 1 11 . 1 1 36 36 VAL H H 54 8.124 8.124 8.566 -0.442 17763 1066 1 11 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.579 -0.401 17763 1067 1 11 . 1 1 37 37 TYR H H 55 8.967 8.967 9.010 -0.043 17763 1068 1 11 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.108 0.637 17763 1069 1 11 . 1 1 38 38 GLU H H 56 8.462 8.462 8.739 -0.277 17763 1070 1 11 . 1 1 39 39 GLY H H 57 9.262 9.262 8.583 0.679 17763 1071 1 11 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.740 -0.133 17763 1072 1 11 . 1 1 40 40 CYS H H 58 8.957 8.957 8.640 0.317 17763 1073 1 11 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.807 0.007 17763 1074 1 11 . 1 1 41 41 TYR H H 59 7.888 7.888 8.648 -0.760 17763 1075 1 11 . 1 1 42 42 THR HA H 60 4.304 4.304 3.922 0.382 17763 1076 1 11 . 1 1 42 42 THR H H 60 8.623 8.623 9.063 -0.440 17763 1077 1 11 . 1 1 43 43 GLY H H 61 7.479 7.479 7.829 -0.350 17763 1078 1 11 . 1 1 44 44 GLY H H 62 8.005 8.005 8.124 -0.119 17763 1079 1 11 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.695 -0.014 17763 1080 1 11 . 1 1 45 45 TYR H H 63 8.884 8.884 7.680 1.204 17763 1081 1 11 . 1 1 46 46 SER HA H 64 4.504 4.504 4.461 0.043 17763 1082 1 11 . 1 1 46 46 SER H H 64 9.090 9.090 9.091 -0.001 17763 1083 1 11 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.539 0.046 17763 1084 1 11 . 1 1 47 47 ARG H H 65 7.182 7.182 7.585 -0.403 17763 1085 1 11 . 1 1 48 48 MET HA H 66 3.176 3.176 3.694 -0.518 17763 1086 1 11 . 1 1 48 48 MET H H 66 8.312 8.312 8.203 0.109 17763 1087 1 11 . 1 1 49 49 GLY H H 67 8.757 8.757 8.418 0.339 17763 1088 1 11 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.016 -0.214 17763 1089 1 11 . 1 1 50 50 GLU H H 68 6.370 6.370 7.702 -1.332 17763 1090 1 11 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.324 -0.608 17763 1091 1 11 . 1 1 51 51 CYS H H 69 6.810 6.810 7.371 -0.561 17763 1092 1 11 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.911 -0.171 17763 1093 1 11 . 1 1 52 52 ALA H H 70 8.534 8.534 8.204 0.330 17763 1094 1 11 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.049 0.016 17763 1095 1 11 . 1 1 53 53 ARG H H 71 6.930 6.930 7.753 -0.823 17763 1096 1 11 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.791 -0.024 17763 1097 1 11 . 1 1 54 54 ASN H H 72 7.267 7.267 7.546 -0.279 17763 1098 1 11 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.509 0.620 17763 1099 1 11 . 1 1 55 55 CYS H H 73 6.995 6.995 8.055 -1.060 17763 1100 1 11 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.378 0.358 17763 1101 1 12 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.716 -0.034 17763 1102 1 12 . 1 1 2 2 ASP H H 20 8.665 8.665 8.417 0.248 17763 1103 1 12 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.511 -0.288 17763 1104 1 12 . 1 1 3 3 LYS H H 21 8.401 8.401 8.344 0.057 17763 1105 1 12 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.210 0.064 17763 1106 1 12 . 1 1 4 4 GLU H H 22 8.227 8.227 8.404 -0.177 17763 1107 1 12 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.560 -0.250 17763 1108 1 12 . 1 1 5 5 GLU H H 23 8.242 8.242 8.569 -0.327 17763 1109 1 12 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.701 0.116 17763 1110 1 12 . 1 1 6 6 CYS H H 24 8.465 8.465 8.646 -0.181 17763 1111 1 12 . 1 1 7 7 THR HA H 25 4.298 4.298 4.241 0.057 17763 1112 1 12 . 1 1 7 7 THR H H 25 8.443 8.443 8.785 -0.342 17763 1113 1 12 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.262 -0.218 17763 1114 1 12 . 1 1 8 8 VAL H H 26 8.287 8.287 7.737 0.550 17763 1115 1 12 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.661 -0.329 17763 1116 1 12 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.966 -0.075 17763 1117 1 12 . 1 1 10 10 ILE H H 28 8.285 8.285 8.399 -0.114 17763 1118 1 12 . 1 1 11 11 GLY H H 29 8.783 8.783 8.029 0.754 17763 1119 1 12 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.687 -0.384 17763 1120 1 12 . 1 1 12 12 TRP H H 30 7.757 7.757 7.887 -0.130 17763 1121 1 12 . 1 1 13 13 SER HA H 31 4.251 4.251 4.294 -0.043 17763 1122 1 12 . 1 1 13 13 SER H H 31 7.823 7.823 7.605 0.218 17763 1123 1 12 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.336 -0.189 17763 1124 1 12 . 1 1 14 14 GLU H H 32 8.198 8.198 7.791 0.407 17763 1125 1 12 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.256 -0.315 17763 1126 1 12 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.263 -0.439 17763 1127 1 12 . 1 1 16 16 VAL H H 34 8.116 8.116 8.486 -0.370 17763 1128 1 12 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.470 0.254 17763 1129 1 12 . 1 1 17 17 LYS H H 35 8.385 8.385 8.524 -0.139 17763 1130 1 12 . 1 1 18 18 GLY H H 36 8.071 8.071 8.277 -0.206 17763 1131 1 12 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.934 0.440 17763 1132 1 12 . 1 1 19 19 LEU H H 37 8.398 8.398 7.953 0.445 17763 1133 1 12 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.407 0.427 17763 1134 1 12 . 1 1 20 20 CYS H H 38 7.946 7.946 7.990 -0.044 17763 1135 1 12 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.297 -0.013 17763 1136 1 12 . 1 1 21 21 LYS H H 39 8.432 8.432 8.493 -0.061 17763 1137 1 12 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.496 -0.591 17763 1138 1 12 . 1 1 22 22 ALA H H 40 7.132 7.132 7.427 -0.295 17763 1139 1 12 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.525 -0.470 17763 1140 1 12 . 1 1 23 23 ARG H H 41 8.059 8.059 8.389 -0.330 17763 1141 1 12 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.732 0.315 17763 1142 1 12 . 1 1 24 24 PHE H H 42 8.118 8.118 8.150 -0.032 17763 1143 1 12 . 1 1 25 25 THR HA H 43 4.824 4.824 4.976 -0.152 17763 1144 1 12 . 1 1 25 25 THR H H 43 8.752 8.752 8.334 0.418 17763 1145 1 12 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.881 -0.064 17763 1146 1 12 . 1 1 26 26 ARG H H 44 8.792 8.792 9.000 -0.208 17763 1147 1 12 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.136 -0.065 17763 1148 1 12 . 1 1 27 27 TYR H H 45 8.866 8.866 8.787 0.079 17763 1149 1 12 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.910 0.014 17763 1150 1 12 . 1 1 28 28 TYR H H 46 9.194 9.194 9.255 -0.061 17763 1151 1 12 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.904 -0.146 17763 1152 1 12 . 1 1 29 29 CYS H H 47 9.450 9.450 9.418 0.032 17763 1153 1 12 . 1 1 30 30 MET HA H 48 4.571 4.571 4.545 0.026 17763 1154 1 12 . 1 1 30 30 MET H H 48 9.039 9.039 8.694 0.345 17763 1155 1 12 . 1 1 31 31 GLY H H 49 6.977 6.977 7.398 -0.421 17763 1156 1 12 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.257 0.279 17763 1157 1 12 . 1 1 32 32 ASN H H 50 8.052 8.052 8.645 -0.593 17763 1158 1 12 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.721 -0.030 17763 1159 1 12 . 1 1 33 33 CYS H H 51 7.461 7.461 7.967 -0.506 17763 1160 1 12 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.705 0.761 17763 1161 1 12 . 1 1 34 34 CYS H H 52 8.834 8.834 8.802 0.032 17763 1162 1 12 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.686 -0.070 17763 1163 1 12 . 1 1 35 35 LYS H H 53 9.150 9.150 9.067 0.083 17763 1164 1 12 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.367 -0.077 17763 1165 1 12 . 1 1 36 36 VAL H H 54 8.124 8.124 8.511 -0.387 17763 1166 1 12 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.626 -0.448 17763 1167 1 12 . 1 1 37 37 TYR H H 55 8.967 8.967 8.860 0.107 17763 1168 1 12 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.374 0.371 17763 1169 1 12 . 1 1 38 38 GLU H H 56 8.462 8.462 8.783 -0.321 17763 1170 1 12 . 1 1 39 39 GLY H H 57 9.262 9.262 8.473 0.789 17763 1171 1 12 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.627 0.980 17763 1172 1 12 . 1 1 40 40 CYS H H 58 8.957 8.957 8.308 0.649 17763 1173 1 12 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.542 0.272 17763 1174 1 12 . 1 1 41 41 TYR H H 59 7.888 7.888 8.230 -0.342 17763 1175 1 12 . 1 1 42 42 THR HA H 60 4.304 4.304 4.536 -0.232 17763 1176 1 12 . 1 1 42 42 THR H H 60 8.623 8.623 8.723 -0.100 17763 1177 1 12 . 1 1 43 43 GLY H H 61 7.479 7.479 7.995 -0.516 17763 1178 1 12 . 1 1 44 44 GLY H H 62 8.005 8.005 7.987 0.018 17763 1179 1 12 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.498 0.183 17763 1180 1 12 . 1 1 45 45 TYR H H 63 8.884 8.884 7.898 0.986 17763 1181 1 12 . 1 1 46 46 SER HA H 64 4.504 4.504 4.507 -0.003 17763 1182 1 12 . 1 1 46 46 SER H H 64 9.090 9.090 8.803 0.287 17763 1183 1 12 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.604 -0.019 17763 1184 1 12 . 1 1 47 47 ARG H H 65 7.182 7.182 7.868 -0.686 17763 1185 1 12 . 1 1 48 48 MET HA H 66 3.176 3.176 3.949 -0.773 17763 1186 1 12 . 1 1 48 48 MET H H 66 8.312 8.312 8.302 0.010 17763 1187 1 12 . 1 1 49 49 GLY H H 67 8.757 8.757 8.484 0.273 17763 1188 1 12 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.005 -0.203 17763 1189 1 12 . 1 1 50 50 GLU H H 68 6.370 6.370 7.647 -1.277 17763 1190 1 12 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.166 -0.450 17763 1191 1 12 . 1 1 51 51 CYS H H 69 6.810 6.810 7.477 -0.667 17763 1192 1 12 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.996 -0.256 17763 1193 1 12 . 1 1 52 52 ALA H H 70 8.534 8.534 7.844 0.690 17763 1194 1 12 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.096 -0.031 17763 1195 1 12 . 1 1 53 53 ARG H H 71 6.930 6.930 7.935 -1.005 17763 1196 1 12 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.740 0.027 17763 1197 1 12 . 1 1 54 54 ASN H H 72 7.267 7.267 7.491 -0.224 17763 1198 1 12 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.661 0.468 17763 1199 1 12 . 1 1 55 55 CYS H H 73 6.995 6.995 8.106 -1.111 17763 1200 1 12 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.440 0.296 17763 1201 1 13 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.912 -0.230 17763 1202 1 13 . 1 1 2 2 ASP H H 20 8.665 8.665 8.118 0.547 17763 1203 1 13 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.424 -0.201 17763 1204 1 13 . 1 1 3 3 LYS H H 21 8.401 8.401 8.414 -0.013 17763 1205 1 13 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.465 -0.191 17763 1206 1 13 . 1 1 4 4 GLU H H 22 8.227 8.227 8.531 -0.304 17763 1207 1 13 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.500 -0.190 17763 1208 1 13 . 1 1 5 5 GLU H H 23 8.242 8.242 7.907 0.335 17763 1209 1 13 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.682 0.135 17763 1210 1 13 . 1 1 6 6 CYS H H 24 8.465 8.465 8.541 -0.076 17763 1211 1 13 . 1 1 7 7 THR HA H 25 4.298 4.298 4.431 -0.133 17763 1212 1 13 . 1 1 7 7 THR H H 25 8.443 8.443 8.206 0.237 17763 1213 1 13 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.382 -0.338 17763 1214 1 13 . 1 1 8 8 VAL H H 26 8.287 8.287 7.899 0.388 17763 1215 1 13 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.524 -0.192 17763 1216 1 13 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.934 -0.043 17763 1217 1 13 . 1 1 10 10 ILE H H 28 8.285 8.285 8.076 0.209 17763 1218 1 13 . 1 1 11 11 GLY H H 29 8.783 8.783 8.782 0.001 17763 1219 1 13 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.564 -0.261 17763 1220 1 13 . 1 1 12 12 TRP H H 30 7.757 7.757 7.681 0.076 17763 1221 1 13 . 1 1 13 13 SER HA H 31 4.251 4.251 4.221 0.030 17763 1222 1 13 . 1 1 13 13 SER H H 31 7.823 7.823 7.602 0.221 17763 1223 1 13 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.681 -0.534 17763 1224 1 13 . 1 1 14 14 GLU H H 32 8.198 8.198 7.747 0.451 17763 1225 1 13 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.256 -0.315 17763 1226 1 13 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.089 -0.265 17763 1227 1 13 . 1 1 16 16 VAL H H 34 8.116 8.116 8.301 -0.185 17763 1228 1 13 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.412 0.312 17763 1229 1 13 . 1 1 17 17 LYS H H 35 8.385 8.385 8.423 -0.038 17763 1230 1 13 . 1 1 18 18 GLY H H 36 8.071 8.071 8.169 -0.098 17763 1231 1 13 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.826 0.548 17763 1232 1 13 . 1 1 19 19 LEU H H 37 8.398 8.398 7.721 0.677 17763 1233 1 13 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.443 0.391 17763 1234 1 13 . 1 1 20 20 CYS H H 38 7.946 7.946 7.888 0.058 17763 1235 1 13 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.103 0.181 17763 1236 1 13 . 1 1 21 21 LYS H H 39 8.432 8.432 8.633 -0.201 17763 1237 1 13 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.454 -0.549 17763 1238 1 13 . 1 1 22 22 ALA H H 40 7.132 7.132 7.494 -0.362 17763 1239 1 13 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.560 -0.505 17763 1240 1 13 . 1 1 23 23 ARG H H 41 8.059 8.059 8.273 -0.214 17763 1241 1 13 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.595 0.452 17763 1242 1 13 . 1 1 24 24 PHE H H 42 8.118 8.118 8.054 0.064 17763 1243 1 13 . 1 1 25 25 THR HA H 43 4.824 4.824 4.827 -0.003 17763 1244 1 13 . 1 1 25 25 THR H H 43 8.752 8.752 8.370 0.382 17763 1245 1 13 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.111 -0.294 17763 1246 1 13 . 1 1 26 26 ARG H H 44 8.792 8.792 8.913 -0.121 17763 1247 1 13 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.368 -0.297 17763 1248 1 13 . 1 1 27 27 TYR H H 45 8.866 8.866 8.841 0.025 17763 1249 1 13 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.114 -0.190 17763 1250 1 13 . 1 1 28 28 TYR H H 46 9.194 9.194 9.494 -0.300 17763 1251 1 13 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.092 -0.334 17763 1252 1 13 . 1 1 29 29 CYS H H 47 9.450 9.450 9.461 -0.011 17763 1253 1 13 . 1 1 30 30 MET HA H 48 4.571 4.571 4.831 -0.260 17763 1254 1 13 . 1 1 30 30 MET H H 48 9.039 9.039 8.614 0.425 17763 1255 1 13 . 1 1 31 31 GLY H H 49 6.977 6.977 8.085 -1.108 17763 1256 1 13 . 1 1 32 32 ASN HA H 50 4.536 4.536 5.039 -0.503 17763 1257 1 13 . 1 1 32 32 ASN H H 50 8.052 8.052 8.567 -0.515 17763 1258 1 13 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.794 -0.103 17763 1259 1 13 . 1 1 33 33 CYS H H 51 7.461 7.461 7.423 0.038 17763 1260 1 13 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.041 0.425 17763 1261 1 13 . 1 1 34 34 CYS H H 52 8.834 8.834 8.808 0.026 17763 1262 1 13 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.652 -0.036 17763 1263 1 13 . 1 1 35 35 LYS H H 53 9.150 9.150 9.001 0.149 17763 1264 1 13 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.200 0.090 17763 1265 1 13 . 1 1 36 36 VAL H H 54 8.124 8.124 8.434 -0.310 17763 1266 1 13 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.617 -0.439 17763 1267 1 13 . 1 1 37 37 TYR H H 55 8.967 8.967 9.033 -0.066 17763 1268 1 13 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.490 0.255 17763 1269 1 13 . 1 1 38 38 GLU H H 56 8.462 8.462 8.796 -0.334 17763 1270 1 13 . 1 1 39 39 GLY H H 57 9.262 9.262 8.430 0.832 17763 1271 1 13 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.282 1.325 17763 1272 1 13 . 1 1 40 40 CYS H H 58 8.957 8.957 8.368 0.589 17763 1273 1 13 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.545 0.269 17763 1274 1 13 . 1 1 41 41 TYR H H 59 7.888 7.888 8.254 -0.366 17763 1275 1 13 . 1 1 42 42 THR HA H 60 4.304 4.304 4.463 -0.159 17763 1276 1 13 . 1 1 42 42 THR H H 60 8.623 8.623 8.506 0.117 17763 1277 1 13 . 1 1 43 43 GLY H H 61 7.479 7.479 7.971 -0.492 17763 1278 1 13 . 1 1 44 44 GLY H H 62 8.005 8.005 7.923 0.082 17763 1279 1 13 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.482 0.199 17763 1280 1 13 . 1 1 45 45 TYR H H 63 8.884 8.884 8.087 0.797 17763 1281 1 13 . 1 1 46 46 SER HA H 64 4.504 4.504 4.334 0.170 17763 1282 1 13 . 1 1 46 46 SER H H 64 9.090 9.090 8.857 0.233 17763 1283 1 13 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.549 0.036 17763 1284 1 13 . 1 1 47 47 ARG H H 65 7.182 7.182 7.725 -0.543 17763 1285 1 13 . 1 1 48 48 MET HA H 66 3.176 3.176 3.810 -0.634 17763 1286 1 13 . 1 1 48 48 MET H H 66 8.312 8.312 8.042 0.270 17763 1287 1 13 . 1 1 49 49 GLY H H 67 8.757 8.757 8.185 0.572 17763 1288 1 13 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.245 -0.443 17763 1289 1 13 . 1 1 50 50 GLU H H 68 6.370 6.370 7.686 -1.316 17763 1290 1 13 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.730 -0.014 17763 1291 1 13 . 1 1 51 51 CYS H H 69 6.810 6.810 7.343 -0.533 17763 1292 1 13 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.225 -0.485 17763 1293 1 13 . 1 1 52 52 ALA H H 70 8.534 8.534 7.372 1.162 17763 1294 1 13 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.047 0.018 17763 1295 1 13 . 1 1 53 53 ARG H H 71 6.930 6.930 7.413 -0.483 17763 1296 1 13 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.779 -0.012 17763 1297 1 13 . 1 1 54 54 ASN H H 72 7.267 7.267 7.689 -0.422 17763 1298 1 13 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.624 0.505 17763 1299 1 13 . 1 1 55 55 CYS H H 73 6.995 6.995 8.166 -1.171 17763 1300 1 13 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.300 0.436 17763 1301 1 14 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.957 -0.275 17763 1302 1 14 . 1 1 2 2 ASP H H 20 8.665 8.665 8.634 0.031 17763 1303 1 14 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.472 -0.249 17763 1304 1 14 . 1 1 3 3 LYS H H 21 8.401 8.401 8.570 -0.169 17763 1305 1 14 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.247 0.027 17763 1306 1 14 . 1 1 4 4 GLU H H 22 8.227 8.227 8.569 -0.342 17763 1307 1 14 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.491 -0.181 17763 1308 1 14 . 1 1 5 5 GLU H H 23 8.242 8.242 8.473 -0.231 17763 1309 1 14 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.610 0.207 17763 1310 1 14 . 1 1 6 6 CYS H H 24 8.465 8.465 8.707 -0.242 17763 1311 1 14 . 1 1 7 7 THR HA H 25 4.298 4.298 4.242 0.056 17763 1312 1 14 . 1 1 7 7 THR H H 25 8.443 8.443 7.379 1.064 17763 1313 1 14 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.102 -0.058 17763 1314 1 14 . 1 1 8 8 VAL H H 26 8.287 8.287 8.210 0.077 17763 1315 1 14 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.618 -0.286 17763 1316 1 14 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.915 -0.024 17763 1317 1 14 . 1 1 10 10 ILE H H 28 8.285 8.285 8.250 0.035 17763 1318 1 14 . 1 1 11 11 GLY H H 29 8.783 8.783 8.805 -0.022 17763 1319 1 14 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.645 -0.342 17763 1320 1 14 . 1 1 12 12 TRP H H 30 7.757 7.757 7.909 -0.152 17763 1321 1 14 . 1 1 13 13 SER HA H 31 4.251 4.251 4.332 -0.081 17763 1322 1 14 . 1 1 13 13 SER H H 31 7.823 7.823 7.589 0.234 17763 1323 1 14 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.448 -0.301 17763 1324 1 14 . 1 1 14 14 GLU H H 32 8.198 8.198 7.804 0.394 17763 1325 1 14 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.317 -0.376 17763 1326 1 14 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.238 -0.414 17763 1327 1 14 . 1 1 16 16 VAL H H 34 8.116 8.116 8.413 -0.297 17763 1328 1 14 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.632 0.092 17763 1329 1 14 . 1 1 17 17 LYS H H 35 8.385 8.385 8.535 -0.150 17763 1330 1 14 . 1 1 18 18 GLY H H 36 8.071 8.071 8.650 -0.579 17763 1331 1 14 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.828 0.546 17763 1332 1 14 . 1 1 19 19 LEU H H 37 8.398 8.398 7.875 0.523 17763 1333 1 14 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.423 0.411 17763 1334 1 14 . 1 1 20 20 CYS H H 38 7.946 7.946 7.779 0.167 17763 1335 1 14 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.218 0.066 17763 1336 1 14 . 1 1 21 21 LYS H H 39 8.432 8.432 8.536 -0.104 17763 1337 1 14 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.471 -0.566 17763 1338 1 14 . 1 1 22 22 ALA H H 40 7.132 7.132 7.110 0.022 17763 1339 1 14 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.342 -0.287 17763 1340 1 14 . 1 1 23 23 ARG H H 41 8.059 8.059 8.150 -0.091 17763 1341 1 14 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.700 0.347 17763 1342 1 14 . 1 1 24 24 PHE H H 42 8.118 8.118 8.180 -0.062 17763 1343 1 14 . 1 1 25 25 THR HA H 43 4.824 4.824 4.526 0.298 17763 1344 1 14 . 1 1 25 25 THR H H 43 8.752 8.752 8.558 0.194 17763 1345 1 14 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.039 -0.222 17763 1346 1 14 . 1 1 26 26 ARG H H 44 8.792 8.792 8.471 0.321 17763 1347 1 14 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.144 -0.073 17763 1348 1 14 . 1 1 27 27 TYR H H 45 8.866 8.866 8.846 0.020 17763 1349 1 14 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.915 0.009 17763 1350 1 14 . 1 1 28 28 TYR H H 46 9.194 9.194 8.987 0.207 17763 1351 1 14 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.875 -0.117 17763 1352 1 14 . 1 1 29 29 CYS H H 47 9.450 9.450 9.394 0.056 17763 1353 1 14 . 1 1 30 30 MET HA H 48 4.571 4.571 4.688 -0.117 17763 1354 1 14 . 1 1 30 30 MET H H 48 9.039 9.039 8.862 0.177 17763 1355 1 14 . 1 1 31 31 GLY H H 49 6.977 6.977 8.385 -1.408 17763 1356 1 14 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.837 -0.301 17763 1357 1 14 . 1 1 32 32 ASN H H 50 8.052 8.052 8.372 -0.320 17763 1358 1 14 . 1 1 33 33 CYS HA H 51 4.691 4.691 5.040 -0.349 17763 1359 1 14 . 1 1 33 33 CYS H H 51 7.461 7.461 7.391 0.070 17763 1360 1 14 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.223 0.243 17763 1361 1 14 . 1 1 34 34 CYS H H 52 8.834 8.834 8.846 -0.012 17763 1362 1 14 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.715 -0.099 17763 1363 1 14 . 1 1 35 35 LYS H H 53 9.150 9.150 8.980 0.170 17763 1364 1 14 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.448 -0.158 17763 1365 1 14 . 1 1 36 36 VAL H H 54 8.124 8.124 8.651 -0.527 17763 1366 1 14 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.484 -0.306 17763 1367 1 14 . 1 1 37 37 TYR H H 55 8.967 8.967 8.302 0.665 17763 1368 1 14 . 1 1 38 38 GLU HA H 56 5.745 5.745 4.372 1.373 17763 1369 1 14 . 1 1 38 38 GLU H H 56 8.462 8.462 8.641 -0.179 17763 1370 1 14 . 1 1 39 39 GLY H H 57 9.262 9.262 8.255 1.007 17763 1371 1 14 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.214 0.393 17763 1372 1 14 . 1 1 40 40 CYS H H 58 8.957 8.957 8.147 0.810 17763 1373 1 14 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.794 0.020 17763 1374 1 14 . 1 1 41 41 TYR H H 59 7.888 7.888 8.686 -0.798 17763 1375 1 14 . 1 1 42 42 THR HA H 60 4.304 4.304 3.990 0.314 17763 1376 1 14 . 1 1 42 42 THR H H 60 8.623 8.623 8.476 0.147 17763 1377 1 14 . 1 1 43 43 GLY H H 61 7.479 7.479 7.932 -0.453 17763 1378 1 14 . 1 1 44 44 GLY H H 62 8.005 8.005 7.204 0.801 17763 1379 1 14 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.363 0.318 17763 1380 1 14 . 1 1 45 45 TYR H H 63 8.884 8.884 8.121 0.763 17763 1381 1 14 . 1 1 46 46 SER HA H 64 4.504 4.504 4.479 0.025 17763 1382 1 14 . 1 1 46 46 SER H H 64 9.090 9.090 8.601 0.489 17763 1383 1 14 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.458 0.127 17763 1384 1 14 . 1 1 47 47 ARG H H 65 7.182 7.182 7.742 -0.560 17763 1385 1 14 . 1 1 48 48 MET HA H 66 3.176 3.176 4.054 -0.878 17763 1386 1 14 . 1 1 48 48 MET H H 66 8.312 8.312 8.233 0.079 17763 1387 1 14 . 1 1 49 49 GLY H H 67 8.757 8.757 8.494 0.263 17763 1388 1 14 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.180 -0.378 17763 1389 1 14 . 1 1 50 50 GLU H H 68 6.370 6.370 7.631 -1.261 17763 1390 1 14 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.086 -0.370 17763 1391 1 14 . 1 1 51 51 CYS H H 69 6.810 6.810 7.332 -0.522 17763 1392 1 14 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.047 -0.307 17763 1393 1 14 . 1 1 52 52 ALA H H 70 8.534 8.534 7.911 0.623 17763 1394 1 14 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.060 0.005 17763 1395 1 14 . 1 1 53 53 ARG H H 71 6.930 6.930 7.564 -0.634 17763 1396 1 14 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.739 0.028 17763 1397 1 14 . 1 1 54 54 ASN H H 72 7.267 7.267 7.571 -0.304 17763 1398 1 14 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.596 0.533 17763 1399 1 14 . 1 1 55 55 CYS H H 73 6.995 6.995 8.031 -1.036 17763 1400 1 14 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.401 0.335 17763 1401 1 15 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.655 0.027 17763 1402 1 15 . 1 1 2 2 ASP H H 20 8.665 8.665 8.172 0.493 17763 1403 1 15 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.121 0.102 17763 1404 1 15 . 1 1 3 3 LYS H H 21 8.401 8.401 8.368 0.033 17763 1405 1 15 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.494 -0.220 17763 1406 1 15 . 1 1 4 4 GLU H H 22 8.227 8.227 8.071 0.156 17763 1407 1 15 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.163 0.147 17763 1408 1 15 . 1 1 5 5 GLU H H 23 8.242 8.242 7.778 0.464 17763 1409 1 15 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.489 0.328 17763 1410 1 15 . 1 1 6 6 CYS H H 24 8.465 8.465 8.797 -0.332 17763 1411 1 15 . 1 1 7 7 THR HA H 25 4.298 4.298 4.358 -0.060 17763 1412 1 15 . 1 1 7 7 THR H H 25 8.443 8.443 8.165 0.278 17763 1413 1 15 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.189 -0.145 17763 1414 1 15 . 1 1 8 8 VAL H H 26 8.287 8.287 8.257 0.030 17763 1415 1 15 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.581 -0.249 17763 1416 1 15 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.886 0.005 17763 1417 1 15 . 1 1 10 10 ILE H H 28 8.285 8.285 8.169 0.116 17763 1418 1 15 . 1 1 11 11 GLY H H 29 8.783 8.783 8.887 -0.104 17763 1419 1 15 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.643 -0.340 17763 1420 1 15 . 1 1 12 12 TRP H H 30 7.757 7.757 7.798 -0.041 17763 1421 1 15 . 1 1 13 13 SER HA H 31 4.251 4.251 4.315 -0.064 17763 1422 1 15 . 1 1 13 13 SER H H 31 7.823 7.823 7.538 0.285 17763 1423 1 15 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.916 -0.769 17763 1424 1 15 . 1 1 14 14 GLU H H 32 8.198 8.198 7.917 0.281 17763 1425 1 15 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.367 -0.426 17763 1426 1 15 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.214 -0.390 17763 1427 1 15 . 1 1 16 16 VAL H H 34 8.116 8.116 8.348 -0.232 17763 1428 1 15 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.146 0.578 17763 1429 1 15 . 1 1 17 17 LYS H H 35 8.385 8.385 8.473 -0.088 17763 1430 1 15 . 1 1 18 18 GLY H H 36 8.071 8.071 8.156 -0.085 17763 1431 1 15 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.830 0.544 17763 1432 1 15 . 1 1 19 19 LEU H H 37 8.398 8.398 7.706 0.692 17763 1433 1 15 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.484 0.350 17763 1434 1 15 . 1 1 20 20 CYS H H 38 7.946 7.946 7.893 0.053 17763 1435 1 15 . 1 1 21 21 LYS HA H 39 4.284 4.284 3.981 0.303 17763 1436 1 15 . 1 1 21 21 LYS H H 39 8.432 8.432 8.681 -0.249 17763 1437 1 15 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.429 -0.524 17763 1438 1 15 . 1 1 22 22 ALA H H 40 7.132 7.132 7.935 -0.803 17763 1439 1 15 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.299 -0.244 17763 1440 1 15 . 1 1 23 23 ARG H H 41 8.059 8.059 8.479 -0.420 17763 1441 1 15 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.476 0.571 17763 1442 1 15 . 1 1 24 24 PHE H H 42 8.118 8.118 7.226 0.892 17763 1443 1 15 . 1 1 25 25 THR HA H 43 4.824 4.824 4.883 -0.059 17763 1444 1 15 . 1 1 25 25 THR H H 43 8.752 8.752 8.580 0.172 17763 1445 1 15 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.095 -0.278 17763 1446 1 15 . 1 1 26 26 ARG H H 44 8.792 8.792 8.972 -0.180 17763 1447 1 15 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.360 -0.289 17763 1448 1 15 . 1 1 27 27 TYR H H 45 8.866 8.866 8.608 0.258 17763 1449 1 15 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.039 -0.115 17763 1450 1 15 . 1 1 28 28 TYR H H 46 9.194 9.194 9.336 -0.142 17763 1451 1 15 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.708 0.050 17763 1452 1 15 . 1 1 29 29 CYS H H 47 9.450 9.450 9.378 0.072 17763 1453 1 15 . 1 1 30 30 MET HA H 48 4.571 4.571 4.626 -0.055 17763 1454 1 15 . 1 1 30 30 MET H H 48 9.039 9.039 8.530 0.509 17763 1455 1 15 . 1 1 31 31 GLY H H 49 6.977 6.977 8.645 -1.668 17763 1456 1 15 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.828 -0.292 17763 1457 1 15 . 1 1 32 32 ASN H H 50 8.052 8.052 8.030 0.022 17763 1458 1 15 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.685 0.006 17763 1459 1 15 . 1 1 33 33 CYS H H 51 7.461 7.461 7.559 -0.098 17763 1460 1 15 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.851 0.615 17763 1461 1 15 . 1 1 34 34 CYS H H 52 8.834 8.834 8.922 -0.088 17763 1462 1 15 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.397 0.219 17763 1463 1 15 . 1 1 35 35 LYS H H 53 9.150 9.150 8.241 0.909 17763 1464 1 15 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.405 -0.115 17763 1465 1 15 . 1 1 36 36 VAL H H 54 8.124 8.124 8.388 -0.264 17763 1466 1 15 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.626 -0.448 17763 1467 1 15 . 1 1 37 37 TYR H H 55 8.967 8.967 8.963 0.004 17763 1468 1 15 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.437 0.308 17763 1469 1 15 . 1 1 38 38 GLU H H 56 8.462 8.462 8.826 -0.364 17763 1470 1 15 . 1 1 39 39 GLY H H 57 9.262 9.262 8.589 0.673 17763 1471 1 15 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.714 0.893 17763 1472 1 15 . 1 1 40 40 CYS H H 58 8.957 8.957 8.009 0.948 17763 1473 1 15 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.527 0.287 17763 1474 1 15 . 1 1 41 41 TYR H H 59 7.888 7.888 8.311 -0.423 17763 1475 1 15 . 1 1 42 42 THR HA H 60 4.304 4.304 4.557 -0.253 17763 1476 1 15 . 1 1 42 42 THR H H 60 8.623 8.623 8.446 0.177 17763 1477 1 15 . 1 1 43 43 GLY H H 61 7.479 7.479 8.485 -1.006 17763 1478 1 15 . 1 1 44 44 GLY H H 62 8.005 8.005 7.488 0.517 17763 1479 1 15 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.482 0.199 17763 1480 1 15 . 1 1 45 45 TYR H H 63 8.884 8.884 7.499 1.385 17763 1481 1 15 . 1 1 46 46 SER HA H 64 4.504 4.504 4.335 0.170 17763 1482 1 15 . 1 1 46 46 SER H H 64 9.090 9.090 8.672 0.418 17763 1483 1 15 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.488 0.097 17763 1484 1 15 . 1 1 47 47 ARG H H 65 7.182 7.182 7.801 -0.619 17763 1485 1 15 . 1 1 48 48 MET HA H 66 3.176 3.176 3.802 -0.626 17763 1486 1 15 . 1 1 48 48 MET H H 66 8.312 8.312 8.182 0.130 17763 1487 1 15 . 1 1 49 49 GLY H H 67 8.757 8.757 8.310 0.447 17763 1488 1 15 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.115 -0.313 17763 1489 1 15 . 1 1 50 50 GLU H H 68 6.370 6.370 8.286 -1.916 17763 1490 1 15 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.996 -0.280 17763 1491 1 15 . 1 1 51 51 CYS H H 69 6.810 6.810 7.948 -1.138 17763 1492 1 15 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.055 -0.315 17763 1493 1 15 . 1 1 52 52 ALA H H 70 8.534 8.534 7.735 0.799 17763 1494 1 15 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.028 0.037 17763 1495 1 15 . 1 1 53 53 ARG H H 71 6.930 6.930 7.315 -0.385 17763 1496 1 15 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.714 0.053 17763 1497 1 15 . 1 1 54 54 ASN H H 72 7.267 7.267 7.670 -0.403 17763 1498 1 15 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.483 0.646 17763 1499 1 15 . 1 1 55 55 CYS H H 73 6.995 6.995 7.723 -0.728 17763 1500 1 15 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.383 0.353 17763 1501 1 16 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.551 0.131 17763 1502 1 16 . 1 1 2 2 ASP H H 20 8.665 8.665 8.241 0.424 17763 1503 1 16 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.089 0.134 17763 1504 1 16 . 1 1 3 3 LYS H H 21 8.401 8.401 8.481 -0.080 17763 1505 1 16 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.232 0.042 17763 1506 1 16 . 1 1 4 4 GLU H H 22 8.227 8.227 8.109 0.118 17763 1507 1 16 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.435 -0.125 17763 1508 1 16 . 1 1 5 5 GLU H H 23 8.242 8.242 8.469 -0.227 17763 1509 1 16 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.608 0.209 17763 1510 1 16 . 1 1 6 6 CYS H H 24 8.465 8.465 8.498 -0.033 17763 1511 1 16 . 1 1 7 7 THR HA H 25 4.298 4.298 4.491 -0.193 17763 1512 1 16 . 1 1 7 7 THR H H 25 8.443 8.443 7.905 0.538 17763 1513 1 16 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.357 -0.313 17763 1514 1 16 . 1 1 8 8 VAL H H 26 8.287 8.287 7.910 0.377 17763 1515 1 16 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.616 -0.284 17763 1516 1 16 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.950 -0.059 17763 1517 1 16 . 1 1 10 10 ILE H H 28 8.285 8.285 8.427 -0.142 17763 1518 1 16 . 1 1 11 11 GLY H H 29 8.783 8.783 7.904 0.879 17763 1519 1 16 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.571 -0.268 17763 1520 1 16 . 1 1 12 12 TRP H H 30 7.757 7.757 7.656 0.101 17763 1521 1 16 . 1 1 13 13 SER HA H 31 4.251 4.251 4.272 -0.021 17763 1522 1 16 . 1 1 13 13 SER H H 31 7.823 7.823 7.474 0.349 17763 1523 1 16 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.900 -0.753 17763 1524 1 16 . 1 1 14 14 GLU H H 32 8.198 8.198 7.888 0.309 17763 1525 1 16 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.346 -0.405 17763 1526 1 16 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.253 -0.429 17763 1527 1 16 . 1 1 16 16 VAL H H 34 8.116 8.116 8.388 -0.272 17763 1528 1 16 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.427 0.297 17763 1529 1 16 . 1 1 17 17 LYS H H 35 8.385 8.385 8.458 -0.073 17763 1530 1 16 . 1 1 18 18 GLY H H 36 8.071 8.071 8.385 -0.314 17763 1531 1 16 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.926 0.448 17763 1532 1 16 . 1 1 19 19 LEU H H 37 8.398 8.398 7.738 0.660 17763 1533 1 16 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.426 0.408 17763 1534 1 16 . 1 1 20 20 CYS H H 38 7.946 7.946 8.204 -0.258 17763 1535 1 16 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.034 0.250 17763 1536 1 16 . 1 1 21 21 LYS H H 39 8.432 8.432 8.515 -0.083 17763 1537 1 16 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.197 -0.292 17763 1538 1 16 . 1 1 22 22 ALA H H 40 7.132 7.132 7.779 -0.647 17763 1539 1 16 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.455 -0.400 17763 1540 1 16 . 1 1 23 23 ARG H H 41 8.059 8.059 8.233 -0.174 17763 1541 1 16 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.695 0.352 17763 1542 1 16 . 1 1 24 24 PHE H H 42 8.118 8.118 7.723 0.395 17763 1543 1 16 . 1 1 25 25 THR HA H 43 4.824 4.824 5.082 -0.258 17763 1544 1 16 . 1 1 25 25 THR H H 43 8.752 8.752 8.433 0.319 17763 1545 1 16 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.971 -0.154 17763 1546 1 16 . 1 1 26 26 ARG H H 44 8.792 8.792 9.193 -0.401 17763 1547 1 16 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.248 -0.177 17763 1548 1 16 . 1 1 27 27 TYR H H 45 8.866 8.866 8.790 0.076 17763 1549 1 16 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.117 -0.193 17763 1550 1 16 . 1 1 28 28 TYR H H 46 9.194 9.194 9.396 -0.202 17763 1551 1 16 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.765 -0.007 17763 1552 1 16 . 1 1 29 29 CYS H H 47 9.450 9.450 9.550 -0.100 17763 1553 1 16 . 1 1 30 30 MET HA H 48 4.571 4.571 4.839 -0.268 17763 1554 1 16 . 1 1 30 30 MET H H 48 9.039 9.039 8.986 0.053 17763 1555 1 16 . 1 1 31 31 GLY H H 49 6.977 6.977 8.312 -1.335 17763 1556 1 16 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.395 0.141 17763 1557 1 16 . 1 1 32 32 ASN H H 50 8.052 8.052 8.661 -0.609 17763 1558 1 16 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.650 0.041 17763 1559 1 16 . 1 1 33 33 CYS H H 51 7.461 7.461 7.754 -0.293 17763 1560 1 16 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.319 0.147 17763 1561 1 16 . 1 1 34 34 CYS H H 52 8.834 8.834 8.933 -0.099 17763 1562 1 16 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.633 -0.017 17763 1563 1 16 . 1 1 35 35 LYS H H 53 9.150 9.150 8.621 0.529 17763 1564 1 16 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.072 0.218 17763 1565 1 16 . 1 1 36 36 VAL H H 54 8.124 8.124 8.466 -0.342 17763 1566 1 16 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.611 -0.433 17763 1567 1 16 . 1 1 37 37 TYR H H 55 8.967 8.967 8.979 -0.012 17763 1568 1 16 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.546 0.199 17763 1569 1 16 . 1 1 38 38 GLU H H 56 8.462 8.462 8.469 -0.007 17763 1570 1 16 . 1 1 39 39 GLY H H 57 9.262 9.262 8.471 0.791 17763 1571 1 16 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.194 0.413 17763 1572 1 16 . 1 1 40 40 CYS H H 58 8.957 8.957 7.856 1.101 17763 1573 1 16 . 1 1 41 41 TYR HA H 59 4.814 4.814 5.011 -0.197 17763 1574 1 16 . 1 1 41 41 TYR H H 59 7.888 7.888 8.663 -0.775 17763 1575 1 16 . 1 1 42 42 THR HA H 60 4.304 4.304 4.492 -0.188 17763 1576 1 16 . 1 1 42 42 THR H H 60 8.623 8.623 8.542 0.081 17763 1577 1 16 . 1 1 43 43 GLY H H 61 7.479 7.479 7.870 -0.391 17763 1578 1 16 . 1 1 44 44 GLY H H 62 8.005 8.005 7.945 0.060 17763 1579 1 16 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.658 0.023 17763 1580 1 16 . 1 1 45 45 TYR H H 63 8.884 8.884 7.711 1.173 17763 1581 1 16 . 1 1 46 46 SER HA H 64 4.504 4.504 4.283 0.221 17763 1582 1 16 . 1 1 46 46 SER H H 64 9.090 9.090 8.748 0.342 17763 1583 1 16 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.238 0.347 17763 1584 1 16 . 1 1 47 47 ARG H H 65 7.182 7.182 7.576 -0.394 17763 1585 1 16 . 1 1 48 48 MET HA H 66 3.176 3.176 4.023 -0.847 17763 1586 1 16 . 1 1 48 48 MET H H 66 8.312 8.312 7.819 0.493 17763 1587 1 16 . 1 1 49 49 GLY H H 67 8.757 8.757 8.435 0.322 17763 1588 1 16 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.338 -0.536 17763 1589 1 16 . 1 1 50 50 GLU H H 68 6.370 6.370 7.521 -1.151 17763 1590 1 16 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.905 -0.189 17763 1591 1 16 . 1 1 51 51 CYS H H 69 6.810 6.810 7.515 -0.705 17763 1592 1 16 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.136 -0.396 17763 1593 1 16 . 1 1 52 52 ALA H H 70 8.534 8.534 7.882 0.652 17763 1594 1 16 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.152 -0.087 17763 1595 1 16 . 1 1 53 53 ARG H H 71 6.930 6.930 7.366 -0.436 17763 1596 1 16 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.856 -0.089 17763 1597 1 16 . 1 1 54 54 ASN H H 72 7.267 7.267 7.745 -0.478 17763 1598 1 16 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.512 0.617 17763 1599 1 16 . 1 1 55 55 CYS H H 73 6.995 6.995 8.247 -1.252 17763 1600 1 16 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.317 0.419 17763 1601 1 17 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.870 -0.188 17763 1602 1 17 . 1 1 2 2 ASP H H 20 8.665 8.665 8.234 0.431 17763 1603 1 17 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.533 -0.310 17763 1604 1 17 . 1 1 3 3 LYS H H 21 8.401 8.401 8.530 -0.129 17763 1605 1 17 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.257 0.017 17763 1606 1 17 . 1 1 4 4 GLU H H 22 8.227 8.227 8.751 -0.524 17763 1607 1 17 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.255 0.055 17763 1608 1 17 . 1 1 5 5 GLU H H 23 8.242 8.242 7.864 0.378 17763 1609 1 17 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.724 0.093 17763 1610 1 17 . 1 1 6 6 CYS H H 24 8.465 8.465 8.753 -0.288 17763 1611 1 17 . 1 1 7 7 THR HA H 25 4.298 4.298 4.121 0.177 17763 1612 1 17 . 1 1 7 7 THR H H 25 8.443 8.443 7.897 0.546 17763 1613 1 17 . 1 1 8 8 VAL HA H 26 4.044 4.044 3.609 0.435 17763 1614 1 17 . 1 1 8 8 VAL H H 26 8.287 8.287 8.145 0.142 17763 1615 1 17 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.608 -0.276 17763 1616 1 17 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.784 0.107 17763 1617 1 17 . 1 1 10 10 ILE H H 28 8.285 8.285 8.163 0.122 17763 1618 1 17 . 1 1 11 11 GLY H H 29 8.783 8.783 8.935 -0.152 17763 1619 1 17 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.706 -0.403 17763 1620 1 17 . 1 1 12 12 TRP H H 30 7.757 7.757 7.972 -0.215 17763 1621 1 17 . 1 1 13 13 SER HA H 31 4.251 4.251 4.330 -0.079 17763 1622 1 17 . 1 1 13 13 SER H H 31 7.823 7.823 7.789 0.034 17763 1623 1 17 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.576 -0.429 17763 1624 1 17 . 1 1 14 14 GLU H H 32 8.198 8.198 7.756 0.442 17763 1625 1 17 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.363 -0.422 17763 1626 1 17 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.226 -0.402 17763 1627 1 17 . 1 1 16 16 VAL H H 34 8.116 8.116 8.267 -0.151 17763 1628 1 17 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.260 0.465 17763 1629 1 17 . 1 1 17 17 LYS H H 35 8.385 8.385 8.410 -0.025 17763 1630 1 17 . 1 1 18 18 GLY H H 36 8.071 8.071 8.385 -0.314 17763 1631 1 17 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.911 0.463 17763 1632 1 17 . 1 1 19 19 LEU H H 37 8.398 8.398 7.996 0.402 17763 1633 1 17 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.431 0.403 17763 1634 1 17 . 1 1 20 20 CYS H H 38 7.946 7.946 7.931 0.015 17763 1635 1 17 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.183 0.101 17763 1636 1 17 . 1 1 21 21 LYS H H 39 8.432 8.432 8.527 -0.095 17763 1637 1 17 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.545 -0.640 17763 1638 1 17 . 1 1 22 22 ALA H H 40 7.132 7.132 7.345 -0.213 17763 1639 1 17 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.522 -0.467 17763 1640 1 17 . 1 1 23 23 ARG H H 41 8.059 8.059 8.225 -0.166 17763 1641 1 17 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.528 0.519 17763 1642 1 17 . 1 1 24 24 PHE H H 42 8.118 8.118 7.833 0.285 17763 1643 1 17 . 1 1 25 25 THR HA H 43 4.824 4.824 4.909 -0.085 17763 1644 1 17 . 1 1 25 25 THR H H 43 8.752 8.752 8.323 0.429 17763 1645 1 17 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.243 -0.426 17763 1646 1 17 . 1 1 26 26 ARG H H 44 8.792 8.792 8.985 -0.193 17763 1647 1 17 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.340 -0.269 17763 1648 1 17 . 1 1 27 27 TYR H H 45 8.866 8.866 8.905 -0.039 17763 1649 1 17 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.146 -0.222 17763 1650 1 17 . 1 1 28 28 TYR H H 46 9.194 9.194 9.510 -0.316 17763 1651 1 17 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.920 -0.162 17763 1652 1 17 . 1 1 29 29 CYS H H 47 9.450 9.450 9.441 0.009 17763 1653 1 17 . 1 1 30 30 MET HA H 48 4.571 4.571 4.686 -0.115 17763 1654 1 17 . 1 1 30 30 MET H H 48 9.039 9.039 8.698 0.341 17763 1655 1 17 . 1 1 31 31 GLY H H 49 6.977 6.977 7.864 -0.887 17763 1656 1 17 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.818 -0.282 17763 1657 1 17 . 1 1 32 32 ASN H H 50 8.052 8.052 8.187 -0.135 17763 1658 1 17 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.587 0.104 17763 1659 1 17 . 1 1 33 33 CYS H H 51 7.461 7.461 8.056 -0.595 17763 1660 1 17 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.748 0.718 17763 1661 1 17 . 1 1 34 34 CYS H H 52 8.834 8.834 8.747 0.087 17763 1662 1 17 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.690 -0.074 17763 1663 1 17 . 1 1 35 35 LYS H H 53 9.150 9.150 9.013 0.137 17763 1664 1 17 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.157 0.133 17763 1665 1 17 . 1 1 36 36 VAL H H 54 8.124 8.124 8.490 -0.366 17763 1666 1 17 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.524 -0.346 17763 1667 1 17 . 1 1 37 37 TYR H H 55 8.967 8.967 8.905 0.062 17763 1668 1 17 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.445 0.300 17763 1669 1 17 . 1 1 38 38 GLU H H 56 8.462 8.462 8.745 -0.283 17763 1670 1 17 . 1 1 39 39 GLY H H 57 9.262 9.262 8.474 0.788 17763 1671 1 17 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.012 0.595 17763 1672 1 17 . 1 1 40 40 CYS H H 58 8.957 8.957 8.575 0.382 17763 1673 1 17 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.336 0.478 17763 1674 1 17 . 1 1 41 41 TYR H H 59 7.888 7.888 8.693 -0.805 17763 1675 1 17 . 1 1 42 42 THR HA H 60 4.304 4.304 4.000 0.304 17763 1676 1 17 . 1 1 42 42 THR H H 60 8.623 8.623 8.537 0.086 17763 1677 1 17 . 1 1 43 43 GLY H H 61 7.479 7.479 7.844 -0.365 17763 1678 1 17 . 1 1 44 44 GLY H H 62 8.005 8.005 8.206 -0.201 17763 1679 1 17 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.845 -0.164 17763 1680 1 17 . 1 1 45 45 TYR H H 63 8.884 8.884 8.200 0.684 17763 1681 1 17 . 1 1 46 46 SER HA H 64 4.504 4.504 4.501 0.003 17763 1682 1 17 . 1 1 46 46 SER H H 64 9.090 9.090 8.786 0.304 17763 1683 1 17 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.406 0.179 17763 1684 1 17 . 1 1 47 47 ARG H H 65 7.182 7.182 7.667 -0.485 17763 1685 1 17 . 1 1 48 48 MET HA H 66 3.176 3.176 3.863 -0.687 17763 1686 1 17 . 1 1 48 48 MET H H 66 8.312 8.312 8.114 0.198 17763 1687 1 17 . 1 1 49 49 GLY H H 67 8.757 8.757 8.260 0.497 17763 1688 1 17 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.107 -0.305 17763 1689 1 17 . 1 1 50 50 GLU H H 68 6.370 6.370 7.659 -1.289 17763 1690 1 17 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.996 -0.280 17763 1691 1 17 . 1 1 51 51 CYS H H 69 6.810 6.810 7.344 -0.534 17763 1692 1 17 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.075 -0.335 17763 1693 1 17 . 1 1 52 52 ALA H H 70 8.534 8.534 7.623 0.911 17763 1694 1 17 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.123 -0.058 17763 1695 1 17 . 1 1 53 53 ARG H H 71 6.930 6.930 7.447 -0.517 17763 1696 1 17 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.801 -0.034 17763 1697 1 17 . 1 1 54 54 ASN H H 72 7.267 7.267 7.472 -0.205 17763 1698 1 17 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.591 0.538 17763 1699 1 17 . 1 1 55 55 CYS H H 73 6.995 6.995 8.268 -1.273 17763 1700 1 17 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.402 0.334 17763 1701 1 18 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.638 0.044 17763 1702 1 18 . 1 1 2 2 ASP H H 20 8.665 8.665 8.414 0.251 17763 1703 1 18 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.325 -0.102 17763 1704 1 18 . 1 1 3 3 LYS H H 21 8.401 8.401 8.007 0.394 17763 1705 1 18 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.377 -0.103 17763 1706 1 18 . 1 1 4 4 GLU H H 22 8.227 8.227 8.743 -0.516 17763 1707 1 18 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.243 0.067 17763 1708 1 18 . 1 1 5 5 GLU H H 23 8.242 8.242 8.008 0.234 17763 1709 1 18 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.427 0.390 17763 1710 1 18 . 1 1 6 6 CYS H H 24 8.465 8.465 8.553 -0.088 17763 1711 1 18 . 1 1 7 7 THR HA H 25 4.298 4.298 4.274 0.024 17763 1712 1 18 . 1 1 7 7 THR H H 25 8.443 8.443 8.013 0.430 17763 1713 1 18 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.481 -0.437 17763 1714 1 18 . 1 1 8 8 VAL H H 26 8.287 8.287 8.069 0.218 17763 1715 1 18 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.664 -0.332 17763 1716 1 18 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.939 -0.048 17763 1717 1 18 . 1 1 10 10 ILE H H 28 8.285 8.285 8.423 -0.138 17763 1718 1 18 . 1 1 11 11 GLY H H 29 8.783 8.783 7.918 0.865 17763 1719 1 18 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.601 -0.298 17763 1720 1 18 . 1 1 12 12 TRP H H 30 7.757 7.757 7.655 0.102 17763 1721 1 18 . 1 1 13 13 SER HA H 31 4.251 4.251 4.361 -0.110 17763 1722 1 18 . 1 1 13 13 SER H H 31 7.823 7.823 8.002 -0.179 17763 1723 1 18 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.488 -0.341 17763 1724 1 18 . 1 1 14 14 GLU H H 32 8.198 8.198 7.805 0.393 17763 1725 1 18 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.424 -0.483 17763 1726 1 18 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.410 -0.586 17763 1727 1 18 . 1 1 16 16 VAL H H 34 8.116 8.116 8.482 -0.366 17763 1728 1 18 . 1 1 17 17 LYS HA H 35 3.724 3.724 4.092 -0.368 17763 1729 1 18 . 1 1 17 17 LYS H H 35 8.385 8.385 8.540 -0.155 17763 1730 1 18 . 1 1 18 18 GLY H H 36 8.071 8.071 8.816 -0.745 17763 1731 1 18 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.961 0.413 17763 1732 1 18 . 1 1 19 19 LEU H H 37 8.398 8.398 7.967 0.431 17763 1733 1 18 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.436 0.398 17763 1734 1 18 . 1 1 20 20 CYS H H 38 7.946 7.946 7.297 0.649 17763 1735 1 18 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.136 0.148 17763 1736 1 18 . 1 1 21 21 LYS H H 39 8.432 8.432 8.505 -0.073 17763 1737 1 18 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.371 -0.466 17763 1738 1 18 . 1 1 22 22 ALA H H 40 7.132 7.132 7.080 0.052 17763 1739 1 18 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.243 -0.188 17763 1740 1 18 . 1 1 23 23 ARG H H 41 8.059 8.059 8.166 -0.107 17763 1741 1 18 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.724 0.323 17763 1742 1 18 . 1 1 24 24 PHE H H 42 8.118 8.118 8.021 0.097 17763 1743 1 18 . 1 1 25 25 THR HA H 43 4.824 4.824 5.151 -0.327 17763 1744 1 18 . 1 1 25 25 THR H H 43 8.752 8.752 8.352 0.400 17763 1745 1 18 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.202 -0.385 17763 1746 1 18 . 1 1 26 26 ARG H H 44 8.792 8.792 8.913 -0.121 17763 1747 1 18 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.340 -0.269 17763 1748 1 18 . 1 1 27 27 TYR H H 45 8.866 8.866 8.674 0.192 17763 1749 1 18 . 1 1 28 28 TYR HA H 46 4.924 4.924 4.947 -0.023 17763 1750 1 18 . 1 1 28 28 TYR H H 46 9.194 9.194 9.264 -0.070 17763 1751 1 18 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.216 -0.458 17763 1752 1 18 . 1 1 29 29 CYS H H 47 9.450 9.450 9.055 0.395 17763 1753 1 18 . 1 1 30 30 MET HA H 48 4.571 4.571 4.750 -0.179 17763 1754 1 18 . 1 1 30 30 MET H H 48 9.039 9.039 8.327 0.712 17763 1755 1 18 . 1 1 31 31 GLY H H 49 6.977 6.977 8.885 -1.908 17763 1756 1 18 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.922 -0.386 17763 1757 1 18 . 1 1 32 32 ASN H H 50 8.052 8.052 8.483 -0.431 17763 1758 1 18 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.677 0.014 17763 1759 1 18 . 1 1 33 33 CYS H H 51 7.461 7.461 7.827 -0.366 17763 1760 1 18 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.104 0.362 17763 1761 1 18 . 1 1 34 34 CYS H H 52 8.834 8.834 8.872 -0.038 17763 1762 1 18 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.735 -0.119 17763 1763 1 18 . 1 1 35 35 LYS H H 53 9.150 9.150 9.299 -0.149 17763 1764 1 18 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.849 -0.559 17763 1765 1 18 . 1 1 36 36 VAL H H 54 8.124 8.124 8.230 -0.106 17763 1766 1 18 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.735 -0.557 17763 1767 1 18 . 1 1 37 37 TYR H H 55 8.967 8.967 9.302 -0.335 17763 1768 1 18 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.468 0.277 17763 1769 1 18 . 1 1 38 38 GLU H H 56 8.462 8.462 8.766 -0.304 17763 1770 1 18 . 1 1 39 39 GLY H H 57 9.262 9.262 8.881 0.381 17763 1771 1 18 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.473 0.134 17763 1772 1 18 . 1 1 40 40 CYS H H 58 8.957 8.957 8.465 0.492 17763 1773 1 18 . 1 1 41 41 TYR HA H 59 4.814 4.814 5.033 -0.219 17763 1774 1 18 . 1 1 41 41 TYR H H 59 7.888 7.888 8.252 -0.364 17763 1775 1 18 . 1 1 42 42 THR HA H 60 4.304 4.304 4.456 -0.152 17763 1776 1 18 . 1 1 42 42 THR H H 60 8.623 8.623 8.539 0.084 17763 1777 1 18 . 1 1 43 43 GLY H H 61 7.479 7.479 8.441 -0.962 17763 1778 1 18 . 1 1 44 44 GLY H H 62 8.005 8.005 7.530 0.475 17763 1779 1 18 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.348 0.333 17763 1780 1 18 . 1 1 45 45 TYR H H 63 8.884 8.884 8.172 0.712 17763 1781 1 18 . 1 1 46 46 SER HA H 64 4.504 4.504 4.404 0.100 17763 1782 1 18 . 1 1 46 46 SER H H 64 9.090 9.090 8.693 0.397 17763 1783 1 18 . 1 1 47 47 ARG HA H 65 4.585 4.585 3.562 1.023 17763 1784 1 18 . 1 1 47 47 ARG H H 65 7.182 7.182 7.513 -0.331 17763 1785 1 18 . 1 1 48 48 MET HA H 66 3.176 3.176 4.152 -0.976 17763 1786 1 18 . 1 1 48 48 MET H H 66 8.312 8.312 7.832 0.480 17763 1787 1 18 . 1 1 49 49 GLY H H 67 8.757 8.757 8.333 0.424 17763 1788 1 18 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.296 -0.494 17763 1789 1 18 . 1 1 50 50 GLU H H 68 6.370 6.370 7.514 -1.144 17763 1790 1 18 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.088 -0.372 17763 1791 1 18 . 1 1 51 51 CYS H H 69 6.810 6.810 7.302 -0.492 17763 1792 1 18 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.005 -0.265 17763 1793 1 18 . 1 1 52 52 ALA H H 70 8.534 8.534 7.641 0.893 17763 1794 1 18 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.144 -0.079 17763 1795 1 18 . 1 1 53 53 ARG H H 71 6.930 6.930 7.410 -0.480 17763 1796 1 18 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.775 -0.008 17763 1797 1 18 . 1 1 54 54 ASN H H 72 7.267 7.267 7.662 -0.395 17763 1798 1 18 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.540 0.589 17763 1799 1 18 . 1 1 55 55 CYS H H 73 6.995 6.995 8.070 -1.075 17763 1800 1 18 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.327 0.409 17763 1801 1 19 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.815 -0.133 17763 1802 1 19 . 1 1 2 2 ASP H H 20 8.665 8.665 8.280 0.385 17763 1803 1 19 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.316 -0.093 17763 1804 1 19 . 1 1 3 3 LYS H H 21 8.401 8.401 8.200 0.201 17763 1805 1 19 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.286 -0.012 17763 1806 1 19 . 1 1 4 4 GLU H H 22 8.227 8.227 8.335 -0.108 17763 1807 1 19 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.584 -0.274 17763 1808 1 19 . 1 1 5 5 GLU H H 23 8.242 8.242 8.414 -0.172 17763 1809 1 19 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.913 -0.096 17763 1810 1 19 . 1 1 6 6 CYS H H 24 8.465 8.465 8.663 -0.198 17763 1811 1 19 . 1 1 7 7 THR HA H 25 4.298 4.298 4.329 -0.031 17763 1812 1 19 . 1 1 7 7 THR H H 25 8.443 8.443 8.307 0.136 17763 1813 1 19 . 1 1 8 8 VAL HA H 26 4.044 4.044 3.586 0.458 17763 1814 1 19 . 1 1 8 8 VAL H H 26 8.287 8.287 8.010 0.277 17763 1815 1 19 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.558 -0.226 17763 1816 1 19 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.802 0.089 17763 1817 1 19 . 1 1 10 10 ILE H H 28 8.285 8.285 8.140 0.145 17763 1818 1 19 . 1 1 11 11 GLY H H 29 8.783 8.783 8.794 -0.011 17763 1819 1 19 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.617 -0.314 17763 1820 1 19 . 1 1 12 12 TRP H H 30 7.757 7.757 7.759 -0.002 17763 1821 1 19 . 1 1 13 13 SER HA H 31 4.251 4.251 4.254 -0.003 17763 1822 1 19 . 1 1 13 13 SER H H 31 7.823 7.823 7.668 0.155 17763 1823 1 19 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.372 -0.226 17763 1824 1 19 . 1 1 14 14 GLU H H 32 8.198 8.198 7.758 0.440 17763 1825 1 19 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.323 -0.382 17763 1826 1 19 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.074 -0.250 17763 1827 1 19 . 1 1 16 16 VAL H H 34 8.116 8.116 8.215 -0.099 17763 1828 1 19 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.271 0.453 17763 1829 1 19 . 1 1 17 17 LYS H H 35 8.385 8.385 8.359 0.026 17763 1830 1 19 . 1 1 18 18 GLY H H 36 8.071 8.071 8.161 -0.090 17763 1831 1 19 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.829 0.545 17763 1832 1 19 . 1 1 19 19 LEU H H 37 8.398 8.398 7.718 0.680 17763 1833 1 19 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.419 0.415 17763 1834 1 19 . 1 1 20 20 CYS H H 38 7.946 7.946 7.924 0.022 17763 1835 1 19 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.029 0.255 17763 1836 1 19 . 1 1 21 21 LYS H H 39 8.432 8.432 8.609 -0.177 17763 1837 1 19 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.283 -0.378 17763 1838 1 19 . 1 1 22 22 ALA H H 40 7.132 7.132 7.879 -0.747 17763 1839 1 19 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.405 -0.350 17763 1840 1 19 . 1 1 23 23 ARG H H 41 8.059 8.059 8.318 -0.259 17763 1841 1 19 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.653 0.394 17763 1842 1 19 . 1 1 24 24 PHE H H 42 8.118 8.118 7.933 0.185 17763 1843 1 19 . 1 1 25 25 THR HA H 43 4.824 4.824 4.941 -0.117 17763 1844 1 19 . 1 1 25 25 THR H H 43 8.752 8.752 8.404 0.348 17763 1845 1 19 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.962 -0.145 17763 1846 1 19 . 1 1 26 26 ARG H H 44 8.792 8.792 8.985 -0.193 17763 1847 1 19 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.348 -0.277 17763 1848 1 19 . 1 1 27 27 TYR H H 45 8.866 8.866 8.672 0.194 17763 1849 1 19 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.104 -0.180 17763 1850 1 19 . 1 1 28 28 TYR H H 46 9.194 9.194 9.566 -0.372 17763 1851 1 19 . 1 1 29 29 CYS HA H 47 4.758 4.758 5.258 -0.500 17763 1852 1 19 . 1 1 29 29 CYS H H 47 9.450 9.450 9.354 0.096 17763 1853 1 19 . 1 1 30 30 MET HA H 48 4.571 4.571 4.747 -0.176 17763 1854 1 19 . 1 1 30 30 MET H H 48 9.039 9.039 8.840 0.199 17763 1855 1 19 . 1 1 31 31 GLY H H 49 6.977 6.977 7.672 -0.695 17763 1856 1 19 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.255 0.281 17763 1857 1 19 . 1 1 32 32 ASN H H 50 8.052 8.052 8.665 -0.613 17763 1858 1 19 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.704 -0.013 17763 1859 1 19 . 1 1 33 33 CYS H H 51 7.461 7.461 7.867 -0.406 17763 1860 1 19 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.588 -0.122 17763 1861 1 19 . 1 1 34 34 CYS H H 52 8.834 8.834 8.672 0.162 17763 1862 1 19 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.818 -0.202 17763 1863 1 19 . 1 1 35 35 LYS H H 53 9.150 9.150 9.154 -0.004 17763 1864 1 19 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.283 0.007 17763 1865 1 19 . 1 1 36 36 VAL H H 54 8.124 8.124 8.511 -0.387 17763 1866 1 19 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.625 -0.447 17763 1867 1 19 . 1 1 37 37 TYR H H 55 8.967 8.967 8.933 0.034 17763 1868 1 19 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.526 0.219 17763 1869 1 19 . 1 1 38 38 GLU H H 56 8.462 8.462 8.797 -0.335 17763 1870 1 19 . 1 1 39 39 GLY H H 57 9.262 9.262 8.431 0.831 17763 1871 1 19 . 1 1 40 40 CYS HA H 58 4.607 4.607 3.463 1.144 17763 1872 1 19 . 1 1 40 40 CYS H H 58 8.957 8.957 8.472 0.485 17763 1873 1 19 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.562 0.252 17763 1874 1 19 . 1 1 41 41 TYR H H 59 7.888 7.888 8.347 -0.459 17763 1875 1 19 . 1 1 42 42 THR HA H 60 4.304 4.304 4.489 -0.185 17763 1876 1 19 . 1 1 42 42 THR H H 60 8.623 8.623 8.471 0.152 17763 1877 1 19 . 1 1 43 43 GLY H H 61 7.479 7.479 7.705 -0.226 17763 1878 1 19 . 1 1 44 44 GLY H H 62 8.005 8.005 7.801 0.204 17763 1879 1 19 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.561 0.120 17763 1880 1 19 . 1 1 45 45 TYR H H 63 8.884 8.884 8.281 0.603 17763 1881 1 19 . 1 1 46 46 SER HA H 64 4.504 4.504 4.407 0.097 17763 1882 1 19 . 1 1 46 46 SER H H 64 9.090 9.090 8.809 0.281 17763 1883 1 19 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.088 0.497 17763 1884 1 19 . 1 1 47 47 ARG H H 65 7.182 7.182 7.559 -0.377 17763 1885 1 19 . 1 1 48 48 MET HA H 66 3.176 3.176 4.037 -0.861 17763 1886 1 19 . 1 1 48 48 MET H H 66 8.312 8.312 7.694 0.618 17763 1887 1 19 . 1 1 49 49 GLY H H 67 8.757 8.757 8.400 0.357 17763 1888 1 19 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.158 -0.356 17763 1889 1 19 . 1 1 50 50 GLU H H 68 6.370 6.370 8.411 -2.041 17763 1890 1 19 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.538 0.178 17763 1891 1 19 . 1 1 51 51 CYS H H 69 6.810 6.810 7.516 -0.706 17763 1892 1 19 . 1 1 52 52 ALA HA H 70 3.740 3.740 3.947 -0.207 17763 1893 1 19 . 1 1 52 52 ALA H H 70 8.534 8.534 8.272 0.262 17763 1894 1 19 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.111 -0.046 17763 1895 1 19 . 1 1 53 53 ARG H H 71 6.930 6.930 8.025 -1.095 17763 1896 1 19 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.806 -0.039 17763 1897 1 19 . 1 1 54 54 ASN H H 72 7.267 7.267 7.469 -0.202 17763 1898 1 19 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.508 0.621 17763 1899 1 19 . 1 1 55 55 CYS H H 73 6.995 6.995 8.017 -1.022 17763 1900 1 19 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.373 0.363 17763 1901 1 20 . 1 1 2 2 ASP HA H 20 4.682 4.682 4.791 -0.109 17763 1902 1 20 . 1 1 2 2 ASP H H 20 8.665 8.665 8.296 0.369 17763 1903 1 20 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.546 -0.323 17763 1904 1 20 . 1 1 3 3 LYS H H 21 8.401 8.401 8.064 0.337 17763 1905 1 20 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.419 -0.145 17763 1906 1 20 . 1 1 4 4 GLU H H 22 8.227 8.227 8.438 -0.211 17763 1907 1 20 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.475 -0.165 17763 1908 1 20 . 1 1 5 5 GLU H H 23 8.242 8.242 8.393 -0.151 17763 1909 1 20 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.582 0.235 17763 1910 1 20 . 1 1 6 6 CYS H H 24 8.465 8.465 8.470 -0.004 17763 1911 1 20 . 1 1 7 7 THR HA H 25 4.298 4.298 4.505 -0.207 17763 1912 1 20 . 1 1 7 7 THR H H 25 8.443 8.443 8.246 0.197 17763 1913 1 20 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.326 -0.282 17763 1914 1 20 . 1 1 8 8 VAL H H 26 8.287 8.287 8.270 0.017 17763 1915 1 20 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.702 -0.370 17763 1916 1 20 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.918 -0.027 17763 1917 1 20 . 1 1 10 10 ILE H H 28 8.285 8.285 8.604 -0.319 17763 1918 1 20 . 1 1 11 11 GLY H H 29 8.783 8.783 7.919 0.864 17763 1919 1 20 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.589 -0.286 17763 1920 1 20 . 1 1 12 12 TRP H H 30 7.757 7.757 7.725 0.032 17763 1921 1 20 . 1 1 13 13 SER HA H 31 4.251 4.251 4.304 -0.053 17763 1922 1 20 . 1 1 13 13 SER H H 31 7.823 7.823 7.756 0.067 17763 1923 1 20 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.497 -0.350 17763 1924 1 20 . 1 1 14 14 GLU H H 32 8.198 8.198 7.733 0.465 17763 1925 1 20 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.359 -0.418 17763 1926 1 20 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.342 -0.518 17763 1927 1 20 . 1 1 16 16 VAL H H 34 8.116 8.116 8.440 -0.324 17763 1928 1 20 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.707 0.017 17763 1929 1 20 . 1 1 17 17 LYS H H 35 8.385 8.385 8.508 -0.123 17763 1930 1 20 . 1 1 18 18 GLY H H 36 8.071 8.071 8.533 -0.462 17763 1931 1 20 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.877 0.497 17763 1932 1 20 . 1 1 19 19 LEU H H 37 8.398 8.398 7.747 0.651 17763 1933 1 20 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.413 0.421 17763 1934 1 20 . 1 1 20 20 CYS H H 38 7.946 7.946 7.904 0.042 17763 1935 1 20 . 1 1 21 21 LYS HA H 39 4.284 4.284 3.982 0.302 17763 1936 1 20 . 1 1 21 21 LYS H H 39 8.432 8.432 8.464 -0.032 17763 1937 1 20 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.406 -0.501 17763 1938 1 20 . 1 1 22 22 ALA H H 40 7.132 7.132 7.579 -0.447 17763 1939 1 20 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.279 -0.224 17763 1940 1 20 . 1 1 23 23 ARG H H 41 8.059 8.059 8.327 -0.268 17763 1941 1 20 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.744 0.303 17763 1942 1 20 . 1 1 24 24 PHE H H 42 8.118 8.118 7.947 0.171 17763 1943 1 20 . 1 1 25 25 THR HA H 43 4.824 4.824 5.183 -0.358 17763 1944 1 20 . 1 1 25 25 THR H H 43 8.752 8.752 8.324 0.428 17763 1945 1 20 . 1 1 26 26 ARG HA H 44 4.817 4.817 4.775 0.042 17763 1946 1 20 . 1 1 26 26 ARG H H 44 8.792 8.792 8.862 -0.070 17763 1947 1 20 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.177 -0.106 17763 1948 1 20 . 1 1 27 27 TYR H H 45 8.866 8.866 8.411 0.455 17763 1949 1 20 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.090 -0.166 17763 1950 1 20 . 1 1 28 28 TYR H H 46 9.194 9.194 9.557 -0.363 17763 1951 1 20 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.528 0.230 17763 1952 1 20 . 1 1 29 29 CYS H H 47 9.450 9.450 9.573 -0.123 17763 1953 1 20 . 1 1 30 30 MET HA H 48 4.571 4.571 4.346 0.225 17763 1954 1 20 . 1 1 30 30 MET H H 48 9.039 9.039 8.638 0.401 17763 1955 1 20 . 1 1 31 31 GLY H H 49 6.977 6.977 7.652 -0.675 17763 1956 1 20 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.785 -0.249 17763 1957 1 20 . 1 1 32 32 ASN H H 50 8.052 8.052 8.175 -0.123 17763 1958 1 20 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.707 -0.016 17763 1959 1 20 . 1 1 33 33 CYS H H 51 7.461 7.461 7.847 -0.386 17763 1960 1 20 . 1 1 34 34 CYS HA H 52 5.466 5.466 4.848 0.618 17763 1961 1 20 . 1 1 34 34 CYS H H 52 8.834 8.834 9.033 -0.199 17763 1962 1 20 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.705 -0.089 17763 1963 1 20 . 1 1 35 35 LYS H H 53 9.150 9.150 9.101 0.049 17763 1964 1 20 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.608 -0.318 17763 1965 1 20 . 1 1 36 36 VAL H H 54 8.124 8.124 8.551 -0.427 17763 1966 1 20 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.623 -0.445 17763 1967 1 20 . 1 1 37 37 TYR H H 55 8.967 8.967 9.131 -0.164 17763 1968 1 20 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.381 0.364 17763 1969 1 20 . 1 1 38 38 GLU H H 56 8.462 8.462 8.686 -0.224 17763 1970 1 20 . 1 1 39 39 GLY H H 57 9.262 9.262 8.880 0.382 17763 1971 1 20 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.628 -0.021 17763 1972 1 20 . 1 1 40 40 CYS H H 58 8.957 8.957 8.464 0.493 17763 1973 1 20 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.981 -0.167 17763 1974 1 20 . 1 1 41 41 TYR H H 59 7.888 7.888 8.060 -0.172 17763 1975 1 20 . 1 1 42 42 THR HA H 60 4.304 4.304 4.448 -0.144 17763 1976 1 20 . 1 1 42 42 THR H H 60 8.623 8.623 8.485 0.138 17763 1977 1 20 . 1 1 43 43 GLY H H 61 7.479 7.479 7.834 -0.355 17763 1978 1 20 . 1 1 44 44 GLY H H 62 8.005 8.005 7.800 0.205 17763 1979 1 20 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.611 0.070 17763 1980 1 20 . 1 1 45 45 TYR H H 63 8.884 8.884 8.279 0.605 17763 1981 1 20 . 1 1 46 46 SER HA H 64 4.504 4.504 4.542 -0.038 17763 1982 1 20 . 1 1 46 46 SER H H 64 9.090 9.090 8.784 0.306 17763 1983 1 20 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.351 0.234 17763 1984 1 20 . 1 1 47 47 ARG H H 65 7.182 7.182 7.761 -0.579 17763 1985 1 20 . 1 1 48 48 MET HA H 66 3.176 3.176 4.096 -0.920 17763 1986 1 20 . 1 1 48 48 MET H H 66 8.312 8.312 8.199 0.113 17763 1987 1 20 . 1 1 49 49 GLY H H 67 8.757 8.757 8.284 0.473 17763 1988 1 20 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.311 -0.509 17763 1989 1 20 . 1 1 50 50 GLU H H 68 6.370 6.370 7.598 -1.228 17763 1990 1 20 . 1 1 51 51 CYS HA H 69 2.716 2.716 2.779 -0.063 17763 1991 1 20 . 1 1 51 51 CYS H H 69 6.810 6.810 7.383 -0.573 17763 1992 1 20 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.080 -0.340 17763 1993 1 20 . 1 1 52 52 ALA H H 70 8.534 8.534 7.776 0.758 17763 1994 1 20 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.112 -0.047 17763 1995 1 20 . 1 1 53 53 ARG H H 71 6.930 6.930 7.421 -0.491 17763 1996 1 20 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.759 0.008 17763 1997 1 20 . 1 1 54 54 ASN H H 72 7.267 7.267 7.728 -0.461 17763 1998 1 20 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.628 0.501 17763 1999 1 20 . 1 1 55 55 CYS H H 73 6.995 6.995 8.105 -1.110 17763 2000 1 20 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.396 0.340 17763 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 17763 2 1 1 "Average Difference" HA 61 0.314 0.040 0.314 17763 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17763 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17763 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17763 6 1 1 "Average Difference" HN 52 0.505 0.036 0.508 17763 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17763 8 1 2 "Average Difference" HA 61 0.327 0.075 0.320 17763 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17763 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17763 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17763 12 1 2 "Average Difference" HN 52 0.560 0.035 0.564 17763 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17763 14 1 3 "Average Difference" HA 61 0.344 0.061 0.341 17763 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17763 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17763 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17763 18 1 3 "Average Difference" HN 52 0.473 0.049 0.475 17763 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17763 20 1 4 "Average Difference" HA 61 0.346 0.091 0.337 17763 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17763 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17763 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17763 24 1 4 "Average Difference" HN 52 0.580 0.068 0.581 17763 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17763 26 1 5 "Average Difference" HA 61 0.354 0.081 0.348 17763 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17763 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17763 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17763 30 1 5 "Average Difference" HN 52 0.510 -0.032 0.514 17763 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17763 32 1 6 "Average Difference" HA 61 0.290 0.059 0.287 17763 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17763 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17763 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17763 36 1 6 "Average Difference" HN 52 0.507 0.026 0.511 17763 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17763 38 1 7 "Average Difference" HA 61 0.356 0.031 0.358 17763 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17763 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17763 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17763 42 1 7 "Average Difference" HN 52 0.460 0.057 0.461 17763 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17763 44 1 8 "Average Difference" HA 61 0.333 0.074 0.327 17763 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17763 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17763 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17763 48 1 8 "Average Difference" HN 52 0.600 0.100 0.597 17763 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17763 50 1 9 "Average Difference" HA 61 0.306 0.062 0.302 17763 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17763 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17763 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17763 54 1 9 "Average Difference" HN 52 0.517 0.074 0.517 17763 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17763 56 1 10 "Average Difference" HA 61 0.379 0.035 0.381 17763 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17763 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17763 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17763 60 1 10 "Average Difference" HN 52 0.485 0.060 0.486 17763 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17763 62 1 11 "Average Difference" HA 61 0.319 0.026 0.320 17763 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17763 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17763 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17763 66 1 11 "Average Difference" HN 52 0.527 0.051 0.530 17763 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17763 68 1 12 "Average Difference" HA 61 0.323 0.023 0.325 17763 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17763 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17763 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17763 72 1 12 "Average Difference" HN 52 0.467 0.071 0.466 17763 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17763 74 1 13 "Average Difference" HA 61 0.370 0.040 0.371 17763 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17763 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17763 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17763 78 1 13 "Average Difference" HN 52 0.478 0.012 0.482 17763 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17763 80 1 14 "Average Difference" HA 61 0.363 0.041 0.364 17763 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17763 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17763 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17763 84 1 14 "Average Difference" HN 52 0.513 0.020 0.518 17763 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17763 86 1 15 "Average Difference" HA 61 0.369 0.019 0.372 17763 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17763 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17763 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17763 90 1 15 "Average Difference" HN 52 0.609 0.011 0.615 17763 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17763 92 1 16 "Average Difference" HA 61 0.325 0.056 0.323 17763 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17763 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17763 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17763 96 1 16 "Average Difference" HN 52 0.533 0.022 0.538 17763 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17763 98 1 17 "Average Difference" HA 61 0.335 0.012 0.338 17763 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17763 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17763 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17763 102 1 17 "Average Difference" HN 52 0.459 0.059 0.460 17763 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17763 104 1 18 "Average Difference" HA 61 0.386 0.113 0.372 17763 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17763 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17763 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17763 108 1 18 "Average Difference" HN 52 0.536 0.025 0.540 17763 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17763 110 1 19 "Average Difference" HA 61 0.337 0.002 0.339 17763 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17763 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17763 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17763 114 1 19 "Average Difference" HN 52 0.497 0.068 0.497 17763 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17763 116 1 20 "Average Difference" HA 61 0.315 0.070 0.310 17763 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17763 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17763 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17763 120 1 20 "Average Difference" HN 52 0.435 0.039 0.438 17763 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 17763 _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 ASP HA H 20 4.682 4.682 4.817 -0.135 17763 2 1 . 1 1 2 2 ASP H H 20 8.665 8.665 8.388 0.277 17763 3 1 . 1 1 3 3 LYS HA H 21 4.223 4.223 4.411 -0.188 17763 4 1 . 1 1 3 3 LYS H H 21 8.401 8.401 8.351 0.050 17763 5 1 . 1 1 4 4 GLU HA H 22 4.274 4.274 4.369 -0.095 17763 6 1 . 1 1 4 4 GLU H H 22 8.227 8.227 8.431 -0.204 17763 7 1 . 1 1 5 5 GLU HA H 23 4.310 4.310 4.379 -0.069 17763 8 1 . 1 1 5 5 GLU H H 23 8.242 8.242 8.225 0.017 17763 9 1 . 1 1 6 6 CYS HA H 24 4.817 4.817 4.609 0.208 17763 10 1 . 1 1 6 6 CYS H H 24 8.465 8.465 8.592 -0.127 17763 11 1 . 1 1 7 7 THR HA H 25 4.298 4.298 4.391 -0.093 17763 12 1 . 1 1 7 7 THR H H 25 8.443 8.443 8.156 0.287 17763 13 1 . 1 1 8 8 VAL HA H 26 4.044 4.044 4.282 -0.238 17763 14 1 . 1 1 8 8 VAL H H 26 8.287 8.287 8.053 0.234 17763 15 1 . 1 1 9 9 PRO HA H 27 4.332 4.332 4.649 -0.316 17763 16 1 . 1 1 10 10 ILE HA H 28 3.891 3.891 3.927 -0.036 17763 17 1 . 1 1 10 10 ILE H H 28 8.285 8.285 8.350 -0.065 17763 18 1 . 1 1 11 11 GLY H H 29 8.783 8.783 8.237 0.546 17763 19 1 . 1 1 12 12 TRP HA H 30 4.303 4.303 4.608 -0.305 17763 20 1 . 1 1 12 12 TRP H H 30 7.757 7.757 7.747 0.010 17763 21 1 . 1 1 13 13 SER HA H 31 4.251 4.251 4.309 -0.058 17763 22 1 . 1 1 13 13 SER H H 31 7.823 7.823 7.595 0.228 17763 23 1 . 1 1 14 14 GLU HA H 32 4.147 4.147 4.565 -0.418 17763 24 1 . 1 1 14 14 GLU H H 32 8.198 8.198 7.843 0.355 17763 25 1 . 1 1 15 15 PRO HA H 33 3.941 3.941 4.349 -0.408 17763 26 1 . 1 1 16 16 VAL HA H 34 3.824 3.824 4.256 -0.432 17763 27 1 . 1 1 16 16 VAL H H 34 8.116 8.116 8.385 -0.269 17763 28 1 . 1 1 17 17 LYS HA H 35 3.724 3.724 3.484 0.240 17763 29 1 . 1 1 17 17 LYS H H 35 8.385 8.385 8.459 -0.074 17763 30 1 . 1 1 18 18 GLY H H 36 8.071 8.071 8.388 -0.317 17763 31 1 . 1 1 19 19 LEU HA H 37 4.374 4.374 3.891 0.483 17763 32 1 . 1 1 19 19 LEU H H 37 8.398 8.398 7.824 0.574 17763 33 1 . 1 1 20 20 CYS HA H 38 4.834 4.834 4.452 0.382 17763 34 1 . 1 1 20 20 CYS H H 38 7.946 7.946 7.933 0.013 17763 35 1 . 1 1 21 21 LYS HA H 39 4.284 4.284 4.129 0.155 17763 36 1 . 1 1 21 21 LYS H H 39 8.432 8.432 8.538 -0.106 17763 37 1 . 1 1 22 22 ALA HA H 40 3.905 3.905 4.412 -0.507 17763 38 1 . 1 1 22 22 ALA H H 40 7.132 7.132 7.466 -0.334 17763 39 1 . 1 1 23 23 ARG HA H 41 4.055 4.055 4.399 -0.344 17763 40 1 . 1 1 23 23 ARG H H 41 8.059 8.059 8.263 -0.204 17763 41 1 . 1 1 24 24 PHE HA H 42 5.047 5.047 4.651 0.396 17763 42 1 . 1 1 24 24 PHE H H 42 8.118 8.118 7.915 0.203 17763 43 1 . 1 1 25 25 THR HA H 43 4.824 4.824 4.955 -0.130 17763 44 1 . 1 1 25 25 THR H H 43 8.752 8.752 8.427 0.325 17763 45 1 . 1 1 26 26 ARG HA H 44 4.817 4.817 5.010 -0.193 17763 46 1 . 1 1 26 26 ARG H H 44 8.792 8.792 8.897 -0.105 17763 47 1 . 1 1 27 27 TYR HA H 45 5.071 5.071 5.253 -0.182 17763 48 1 . 1 1 27 27 TYR H H 45 8.866 8.866 8.706 0.161 17763 49 1 . 1 1 28 28 TYR HA H 46 4.924 4.924 5.011 -0.087 17763 50 1 . 1 1 28 28 TYR H H 46 9.194 9.194 9.294 -0.100 17763 51 1 . 1 1 29 29 CYS HA H 47 4.758 4.758 4.950 -0.192 17763 52 1 . 1 1 29 29 CYS H H 47 9.450 9.450 9.364 0.086 17763 53 1 . 1 1 30 30 MET HA H 48 4.571 4.571 4.604 -0.033 17763 54 1 . 1 1 30 30 MET H H 48 9.039 9.039 8.809 0.230 17763 55 1 . 1 1 31 31 GLY H H 49 6.977 6.977 8.300 -1.323 17763 56 1 . 1 1 32 32 ASN HA H 50 4.536 4.536 4.750 -0.214 17763 57 1 . 1 1 32 32 ASN H H 50 8.052 8.052 8.243 -0.191 17763 58 1 . 1 1 33 33 CYS HA H 51 4.691 4.691 4.791 -0.100 17763 59 1 . 1 1 33 33 CYS H H 51 7.461 7.461 7.681 -0.220 17763 60 1 . 1 1 34 34 CYS HA H 52 5.466 5.466 5.062 0.404 17763 61 1 . 1 1 34 34 CYS H H 52 8.834 8.834 8.849 -0.015 17763 62 1 . 1 1 35 35 LYS HA H 53 4.616 4.616 4.622 -0.006 17763 63 1 . 1 1 35 35 LYS H H 53 9.150 9.150 8.920 0.230 17763 64 1 . 1 1 36 36 VAL HA H 54 4.290 4.290 4.387 -0.097 17763 65 1 . 1 1 36 36 VAL H H 54 8.124 8.124 8.480 -0.356 17763 66 1 . 1 1 37 37 TYR HA H 55 4.178 4.178 4.610 -0.432 17763 67 1 . 1 1 37 37 TYR H H 55 8.967 8.967 8.969 -0.002 17763 68 1 . 1 1 38 38 GLU HA H 56 5.745 5.745 5.359 0.386 17763 69 1 . 1 1 38 38 GLU H H 56 8.462 8.462 8.722 -0.260 17763 70 1 . 1 1 39 39 GLY H H 57 9.262 9.262 8.602 0.660 17763 71 1 . 1 1 40 40 CYS HA H 58 4.607 4.607 4.081 0.526 17763 72 1 . 1 1 40 40 CYS H H 58 8.957 8.957 8.388 0.569 17763 73 1 . 1 1 41 41 TYR HA H 59 4.814 4.814 4.712 0.102 17763 74 1 . 1 1 41 41 TYR H H 59 7.888 7.888 8.367 -0.479 17763 75 1 . 1 1 42 42 THR HA H 60 4.304 4.304 4.376 -0.072 17763 76 1 . 1 1 42 42 THR H H 60 8.623 8.623 8.568 0.055 17763 77 1 . 1 1 43 43 GLY H H 61 7.479 7.479 8.038 -0.559 17763 78 1 . 1 1 44 44 GLY H H 62 8.005 8.005 7.724 0.281 17763 79 1 . 1 1 45 45 TYR HA H 63 4.681 4.681 4.523 0.158 17763 80 1 . 1 1 45 45 TYR H H 63 8.884 8.884 7.980 0.904 17763 81 1 . 1 1 46 46 SER HA H 64 4.504 4.504 4.401 0.103 17763 82 1 . 1 1 46 46 SER H H 64 9.090 9.090 8.774 0.316 17763 83 1 . 1 1 47 47 ARG HA H 65 4.585 4.585 4.398 0.187 17763 84 1 . 1 1 47 47 ARG H H 65 7.182 7.182 7.695 -0.513 17763 85 1 . 1 1 48 48 MET HA H 66 3.176 3.176 3.944 -0.767 17763 86 1 . 1 1 48 48 MET H H 66 8.312 8.312 8.107 0.204 17763 87 1 . 1 1 49 49 GLY H H 67 8.757 8.757 8.415 0.342 17763 88 1 . 1 1 50 50 GLU HA H 68 3.802 3.802 4.162 -0.360 17763 89 1 . 1 1 50 50 GLU H H 68 6.370 6.370 7.812 -1.442 17763 90 1 . 1 1 51 51 CYS HA H 69 2.716 2.716 3.032 -0.316 17763 91 1 . 1 1 51 51 CYS H H 69 6.810 6.810 7.444 -0.634 17763 92 1 . 1 1 52 52 ALA HA H 70 3.740 3.740 4.035 -0.295 17763 93 1 . 1 1 52 52 ALA H H 70 8.534 8.534 7.863 0.670 17763 94 1 . 1 1 53 53 ARG HA H 71 4.065 4.065 4.091 -0.026 17763 95 1 . 1 1 53 53 ARG H H 71 6.930 6.930 7.666 -0.737 17763 96 1 . 1 1 54 54 ASN HA H 72 4.767 4.767 4.773 -0.006 17763 97 1 . 1 1 54 54 ASN H H 72 7.267 7.267 7.582 -0.315 17763 98 1 . 1 1 55 55 CYS HA H 73 5.129 5.129 4.563 0.566 17763 99 1 . 1 1 55 55 CYS H H 73 6.995 6.995 8.077 -1.082 17763 100 1 . 1 1 56 56 PRO HA H 74 4.736 4.736 4.381 0.355 17763 stop_ save_