data_25670 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25670 _Entry.PDB_ID 2N4K 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 25670 _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 TYR H H 2 8.594 8.594 8.604 -0.010 25670 2 1 1 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.195 0.338 25670 3 1 1 . 1 1 3 3 TYR H H 3 8.284 8.284 8.794 -0.510 25670 4 1 1 . 1 1 4 4 GLY H H 4 6.958 6.958 7.636 -0.678 25670 5 1 1 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.770 -0.073 25670 6 1 1 . 1 1 5 5 ASN H H 5 8.348 8.348 7.844 0.504 25670 7 1 1 . 1 1 6 6 GLY H H 6 8.358 8.358 7.915 0.443 25670 8 1 1 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.205 0.220 25670 9 1 1 . 1 1 7 7 VAL H H 7 7.768 7.768 7.856 -0.088 25670 10 1 1 . 1 1 8 8 SER HA H 8 4.929 4.929 4.572 0.357 25670 11 1 1 . 1 1 8 8 SER H H 8 8.548 8.548 8.256 0.292 25670 12 1 1 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.295 0.112 25670 13 1 1 . 1 1 9 9 CYS H H 9 8.600 8.600 8.999 -0.399 25670 14 1 1 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.805 0.020 25670 15 1 1 . 1 1 10 10 ASN H H 10 8.897 8.897 9.165 -0.268 25670 16 1 1 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.377 -0.167 25670 17 1 1 . 1 1 11 11 LYS H H 11 8.172 8.172 7.913 0.259 25670 18 1 1 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.122 0.222 25670 19 1 1 . 1 1 12 12 LYS H H 12 8.262 8.262 8.228 0.034 25670 20 1 1 . 1 1 13 13 GLY H H 13 7.960 7.960 7.633 0.327 25670 21 1 1 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.703 -0.254 25670 22 1 1 . 1 1 14 14 CYS H H 14 8.296 8.296 8.364 -0.068 25670 23 1 1 . 1 1 15 15 SER HA H 15 4.628 4.628 4.392 0.236 25670 24 1 1 . 1 1 15 15 SER H H 15 8.853 8.853 8.709 0.144 25670 25 1 1 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.644 0.596 25670 26 1 1 . 1 1 16 16 VAL H H 16 7.987 7.987 7.555 0.432 25670 27 1 1 . 1 1 17 17 ASP H H 17 8.397 8.397 8.287 0.110 25670 28 1 1 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.475 0.013 25670 29 1 1 . 1 1 18 18 TRP H H 18 8.013 8.013 8.240 -0.227 25670 30 1 1 . 1 1 19 19 GLY H H 19 8.325 8.325 8.456 -0.131 25670 31 1 1 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.424 -0.161 25670 32 1 1 . 1 1 20 20 LYS H H 20 7.700 7.700 7.709 -0.009 25670 33 1 1 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.133 0.077 25670 34 1 1 . 1 1 21 21 ALA H H 21 7.992 7.992 7.905 0.087 25670 35 1 1 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.855 0.172 25670 36 1 1 . 1 1 22 22 ILE H H 22 7.972 7.972 8.278 -0.306 25670 37 1 1 . 1 1 23 23 GLY H H 23 7.914 7.914 7.737 0.177 25670 38 1 1 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.934 0.131 25670 39 1 1 . 1 1 24 24 ILE H H 24 7.760 7.760 7.446 0.314 25670 40 1 1 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.798 0.197 25670 41 1 1 . 1 1 25 25 ILE H H 25 8.063 8.063 7.605 0.458 25670 42 1 1 . 1 1 26 26 GLY H H 26 8.361 8.361 8.059 0.302 25670 43 1 1 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.504 0.173 25670 44 1 1 . 1 1 27 27 ASN H H 27 8.064 8.064 7.731 0.333 25670 45 1 1 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.406 0.223 25670 46 1 1 . 1 1 28 28 ASN H H 28 8.289 8.289 7.667 0.622 25670 47 1 1 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.202 0.013 25670 48 1 1 . 1 1 29 29 ALA H H 29 8.348 8.348 8.094 0.254 25670 49 1 1 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.001 0.183 25670 50 1 1 . 1 1 30 30 ALA H H 30 8.080 8.080 7.572 0.508 25670 51 1 1 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.098 0.084 25670 52 1 1 . 1 1 31 31 ALA H H 31 7.967 7.967 7.743 0.224 25670 53 1 1 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.555 0.052 25670 54 1 1 . 1 1 32 32 ASN H H 32 8.058 8.058 7.770 0.288 25670 55 1 1 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.225 0.097 25670 56 1 1 . 1 1 33 33 LEU H H 33 8.172 8.172 7.576 0.596 25670 57 1 1 . 1 1 34 34 THR HA H 34 4.355 4.355 4.217 0.138 25670 58 1 1 . 1 1 34 34 THR H H 34 7.990 7.990 7.776 0.214 25670 59 1 1 . 1 1 35 35 THR HA H 35 4.408 4.408 3.967 0.441 25670 60 1 1 . 1 1 35 35 THR H H 35 7.830 7.830 7.528 0.302 25670 61 1 1 . 1 1 36 36 GLY H H 36 8.175 8.175 8.313 -0.138 25670 62 1 1 . 1 1 37 37 GLY H H 37 8.322 8.322 7.814 0.508 25670 63 1 1 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.413 -0.092 25670 64 1 1 . 1 1 39 39 ALA H H 39 8.130 8.130 8.597 -0.467 25670 65 1 1 . 1 1 40 40 GLY H H 40 8.156 8.156 8.653 -0.497 25670 66 1 1 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.596 0.064 25670 67 1 1 . 1 1 41 41 TRP H H 41 7.930 7.930 7.564 0.366 25670 68 1 2 . 1 1 2 2 TYR H H 2 8.594 8.594 8.562 0.032 25670 69 1 2 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.270 0.263 25670 70 1 2 . 1 1 3 3 TYR H H 3 8.284 8.284 8.718 -0.434 25670 71 1 2 . 1 1 4 4 GLY H H 4 6.958 6.958 7.682 -0.724 25670 72 1 2 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.563 0.134 25670 73 1 2 . 1 1 5 5 ASN H H 5 8.348 8.348 8.190 0.158 25670 74 1 2 . 1 1 6 6 GLY H H 6 8.358 8.358 7.697 0.661 25670 75 1 2 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.134 0.291 25670 76 1 2 . 1 1 7 7 VAL H H 7 7.768 7.768 7.828 -0.060 25670 77 1 2 . 1 1 8 8 SER HA H 8 4.929 4.929 4.990 -0.061 25670 78 1 2 . 1 1 8 8 SER H H 8 8.548 8.548 8.340 0.208 25670 79 1 2 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.087 0.320 25670 80 1 2 . 1 1 9 9 CYS H H 9 8.600 8.600 8.372 0.228 25670 81 1 2 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.865 -0.040 25670 82 1 2 . 1 1 10 10 ASN H H 10 8.897 8.897 8.835 0.062 25670 83 1 2 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.437 -0.227 25670 84 1 2 . 1 1 11 11 LYS H H 11 8.172 8.172 7.931 0.241 25670 85 1 2 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.153 0.191 25670 86 1 2 . 1 1 12 12 LYS H H 12 8.262 8.262 8.418 -0.156 25670 87 1 2 . 1 1 13 13 GLY H H 13 7.960 7.960 7.872 0.088 25670 88 1 2 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.196 0.253 25670 89 1 2 . 1 1 14 14 CYS H H 14 8.296 8.296 8.490 -0.194 25670 90 1 2 . 1 1 15 15 SER HA H 15 4.628 4.628 4.392 0.236 25670 91 1 2 . 1 1 15 15 SER H H 15 8.853 8.853 8.818 0.035 25670 92 1 2 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.531 0.709 25670 93 1 2 . 1 1 16 16 VAL H H 16 7.987 7.987 7.581 0.406 25670 94 1 2 . 1 1 17 17 ASP H H 17 8.397 8.397 7.975 0.422 25670 95 1 2 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.532 -0.044 25670 96 1 2 . 1 1 18 18 TRP H H 18 8.013 8.013 8.162 -0.149 25670 97 1 2 . 1 1 19 19 GLY H H 19 8.325 8.325 8.395 -0.070 25670 98 1 2 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.587 -0.324 25670 99 1 2 . 1 1 20 20 LYS H H 20 7.700 7.700 7.884 -0.184 25670 100 1 2 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.227 -0.017 25670 101 1 2 . 1 1 21 21 ALA H H 21 7.992 7.992 7.964 0.028 25670 102 1 2 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.833 0.194 25670 103 1 2 . 1 1 22 22 ILE H H 22 7.972 7.972 8.305 -0.333 25670 104 1 2 . 1 1 23 23 GLY H H 23 7.914 7.914 7.685 0.229 25670 105 1 2 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.796 0.269 25670 106 1 2 . 1 1 24 24 ILE H H 24 7.760 7.760 7.578 0.182 25670 107 1 2 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.771 0.224 25670 108 1 2 . 1 1 25 25 ILE H H 25 8.063 8.063 7.640 0.423 25670 109 1 2 . 1 1 26 26 GLY H H 26 8.361 8.361 7.775 0.586 25670 110 1 2 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.867 -0.190 25670 111 1 2 . 1 1 27 27 ASN H H 27 8.064 8.064 8.073 -0.009 25670 112 1 2 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.788 -0.159 25670 113 1 2 . 1 1 28 28 ASN H H 28 8.289 8.289 7.890 0.399 25670 114 1 2 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.526 -0.311 25670 115 1 2 . 1 1 29 29 ALA H H 29 8.348 8.348 8.388 -0.040 25670 116 1 2 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.039 0.145 25670 117 1 2 . 1 1 30 30 ALA H H 30 8.080 8.080 8.179 -0.099 25670 118 1 2 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.036 0.146 25670 119 1 2 . 1 1 31 31 ALA H H 31 7.967 7.967 8.501 -0.534 25670 120 1 2 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.690 -0.083 25670 121 1 2 . 1 1 32 32 ASN H H 32 8.058 8.058 7.472 0.586 25670 122 1 2 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.096 0.226 25670 123 1 2 . 1 1 33 33 LEU H H 33 8.172 8.172 8.309 -0.137 25670 124 1 2 . 1 1 34 34 THR HA H 34 4.355 4.355 4.215 0.140 25670 125 1 2 . 1 1 34 34 THR H H 34 7.990 7.990 7.958 0.032 25670 126 1 2 . 1 1 35 35 THR HA H 35 4.408 4.408 4.323 0.085 25670 127 1 2 . 1 1 35 35 THR H H 35 7.830 7.830 7.603 0.227 25670 128 1 2 . 1 1 36 36 GLY H H 36 8.175 8.175 8.238 -0.063 25670 129 1 2 . 1 1 37 37 GLY H H 37 8.322 8.322 8.264 0.058 25670 130 1 2 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.632 -0.311 25670 131 1 2 . 1 1 39 39 ALA H H 39 8.130 8.130 8.509 -0.379 25670 132 1 2 . 1 1 40 40 GLY H H 40 8.156 8.156 8.022 0.134 25670 133 1 2 . 1 1 41 41 TRP HA H 41 4.660 4.660 5.113 -0.453 25670 134 1 2 . 1 1 41 41 TRP H H 41 7.930 7.930 7.446 0.484 25670 135 1 3 . 1 1 2 2 TYR H H 2 8.594 8.594 8.402 0.192 25670 136 1 3 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.177 0.356 25670 137 1 3 . 1 1 3 3 TYR H H 3 8.284 8.284 8.794 -0.510 25670 138 1 3 . 1 1 4 4 GLY H H 4 6.958 6.958 7.922 -0.964 25670 139 1 3 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.586 0.111 25670 140 1 3 . 1 1 5 5 ASN H H 5 8.348 8.348 8.136 0.212 25670 141 1 3 . 1 1 6 6 GLY H H 6 8.358 8.358 7.729 0.629 25670 142 1 3 . 1 1 7 7 VAL HA H 7 4.425 4.425 3.830 0.595 25670 143 1 3 . 1 1 7 7 VAL H H 7 7.768 7.768 7.813 -0.045 25670 144 1 3 . 1 1 8 8 SER HA H 8 4.929 4.929 4.710 0.219 25670 145 1 3 . 1 1 8 8 SER H H 8 8.548 8.548 8.191 0.357 25670 146 1 3 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.224 0.183 25670 147 1 3 . 1 1 9 9 CYS H H 9 8.600 8.600 8.856 -0.256 25670 148 1 3 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.782 0.043 25670 149 1 3 . 1 1 10 10 ASN H H 10 8.897 8.897 8.728 0.169 25670 150 1 3 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.539 -0.329 25670 151 1 3 . 1 1 11 11 LYS H H 11 8.172 8.172 8.103 0.069 25670 152 1 3 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.158 0.186 25670 153 1 3 . 1 1 12 12 LYS H H 12 8.262 8.262 8.346 -0.084 25670 154 1 3 . 1 1 13 13 GLY H H 13 7.960 7.960 7.830 0.130 25670 155 1 3 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.296 0.153 25670 156 1 3 . 1 1 14 14 CYS H H 14 8.296 8.296 8.285 0.011 25670 157 1 3 . 1 1 15 15 SER HA H 15 4.628 4.628 4.499 0.129 25670 158 1 3 . 1 1 15 15 SER H H 15 8.853 8.853 8.600 0.253 25670 159 1 3 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.649 0.591 25670 160 1 3 . 1 1 16 16 VAL H H 16 7.987 7.987 7.572 0.415 25670 161 1 3 . 1 1 17 17 ASP H H 17 8.397 8.397 8.380 0.017 25670 162 1 3 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.516 -0.028 25670 163 1 3 . 1 1 18 18 TRP H H 18 8.013 8.013 8.081 -0.068 25670 164 1 3 . 1 1 19 19 GLY H H 19 8.325 8.325 8.286 0.039 25670 165 1 3 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.686 -0.423 25670 166 1 3 . 1 1 20 20 LYS H H 20 7.700 7.700 7.636 0.064 25670 167 1 3 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.501 -0.291 25670 168 1 3 . 1 1 21 21 ALA H H 21 7.992 7.992 8.053 -0.061 25670 169 1 3 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.954 0.073 25670 170 1 3 . 1 1 22 22 ILE H H 22 7.972 7.972 8.145 -0.173 25670 171 1 3 . 1 1 23 23 GLY H H 23 7.914 7.914 8.443 -0.529 25670 172 1 3 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.995 0.070 25670 173 1 3 . 1 1 24 24 ILE H H 24 7.760 7.760 7.739 0.021 25670 174 1 3 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.682 0.313 25670 175 1 3 . 1 1 25 25 ILE H H 25 8.063 8.063 7.632 0.431 25670 176 1 3 . 1 1 26 26 GLY H H 26 8.361 8.361 8.287 0.074 25670 177 1 3 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.746 -0.069 25670 178 1 3 . 1 1 27 27 ASN H H 27 8.064 8.064 7.923 0.141 25670 179 1 3 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.524 0.105 25670 180 1 3 . 1 1 28 28 ASN H H 28 8.289 8.289 8.056 0.233 25670 181 1 3 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.179 0.036 25670 182 1 3 . 1 1 29 29 ALA H H 29 8.348 8.348 8.546 -0.198 25670 183 1 3 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.060 0.124 25670 184 1 3 . 1 1 30 30 ALA H H 30 8.080 8.080 8.097 -0.017 25670 185 1 3 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.156 0.026 25670 186 1 3 . 1 1 31 31 ALA H H 31 7.967 7.967 7.673 0.294 25670 187 1 3 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.682 -0.075 25670 188 1 3 . 1 1 32 32 ASN H H 32 8.058 8.058 7.795 0.263 25670 189 1 3 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.372 -0.050 25670 190 1 3 . 1 1 33 33 LEU H H 33 8.172 8.172 7.993 0.179 25670 191 1 3 . 1 1 34 34 THR HA H 34 4.355 4.355 4.055 0.300 25670 192 1 3 . 1 1 34 34 THR H H 34 7.990 7.990 8.166 -0.176 25670 193 1 3 . 1 1 35 35 THR HA H 35 4.408 4.408 4.478 -0.070 25670 194 1 3 . 1 1 35 35 THR H H 35 7.830 7.830 7.823 0.007 25670 195 1 3 . 1 1 36 36 GLY H H 36 8.175 8.175 8.095 0.080 25670 196 1 3 . 1 1 37 37 GLY H H 37 8.322 8.322 8.144 0.178 25670 197 1 3 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.678 -0.357 25670 198 1 3 . 1 1 39 39 ALA H H 39 8.130 8.130 8.295 -0.165 25670 199 1 3 . 1 1 40 40 GLY H H 40 8.156 8.156 8.584 -0.428 25670 200 1 3 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.823 -0.163 25670 201 1 3 . 1 1 41 41 TRP H H 41 7.930 7.930 8.018 -0.088 25670 202 1 4 . 1 1 2 2 TYR H H 2 8.594 8.594 8.508 0.086 25670 203 1 4 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.246 0.287 25670 204 1 4 . 1 1 3 3 TYR H H 3 8.284 8.284 8.840 -0.556 25670 205 1 4 . 1 1 4 4 GLY H H 4 6.958 6.958 7.863 -0.905 25670 206 1 4 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.515 0.182 25670 207 1 4 . 1 1 5 5 ASN H H 5 8.348 8.348 8.225 0.123 25670 208 1 4 . 1 1 6 6 GLY H H 6 8.358 8.358 7.851 0.507 25670 209 1 4 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.227 0.198 25670 210 1 4 . 1 1 7 7 VAL H H 7 7.768 7.768 7.795 -0.027 25670 211 1 4 . 1 1 8 8 SER HA H 8 4.929 4.929 4.680 0.249 25670 212 1 4 . 1 1 8 8 SER H H 8 8.548 8.548 8.389 0.159 25670 213 1 4 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.231 0.176 25670 214 1 4 . 1 1 9 9 CYS H H 9 8.600 8.600 9.049 -0.449 25670 215 1 4 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.818 0.007 25670 216 1 4 . 1 1 10 10 ASN H H 10 8.897 8.897 9.231 -0.334 25670 217 1 4 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.505 -0.295 25670 218 1 4 . 1 1 11 11 LYS H H 11 8.172 8.172 8.198 -0.026 25670 219 1 4 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.167 0.177 25670 220 1 4 . 1 1 12 12 LYS H H 12 8.262 8.262 8.183 0.079 25670 221 1 4 . 1 1 13 13 GLY H H 13 7.960 7.960 7.764 0.196 25670 222 1 4 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.690 -0.241 25670 223 1 4 . 1 1 14 14 CYS H H 14 8.296 8.296 8.333 -0.037 25670 224 1 4 . 1 1 15 15 SER HA H 15 4.628 4.628 4.461 0.167 25670 225 1 4 . 1 1 15 15 SER H H 15 8.853 8.853 8.761 0.092 25670 226 1 4 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.686 0.554 25670 227 1 4 . 1 1 16 16 VAL H H 16 7.987 7.987 7.517 0.470 25670 228 1 4 . 1 1 17 17 ASP H H 17 8.397 8.397 8.420 -0.023 25670 229 1 4 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.525 -0.037 25670 230 1 4 . 1 1 18 18 TRP H H 18 8.013 8.013 8.109 -0.096 25670 231 1 4 . 1 1 19 19 GLY H H 19 8.325 8.325 8.312 0.013 25670 232 1 4 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.509 -0.246 25670 233 1 4 . 1 1 20 20 LYS H H 20 7.700 7.700 8.145 -0.445 25670 234 1 4 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.221 -0.011 25670 235 1 4 . 1 1 21 21 ALA H H 21 7.992 7.992 8.104 -0.112 25670 236 1 4 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.825 0.202 25670 237 1 4 . 1 1 22 22 ILE H H 22 7.972 7.972 8.260 -0.288 25670 238 1 4 . 1 1 23 23 GLY H H 23 7.914 7.914 7.701 0.213 25670 239 1 4 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.057 0.008 25670 240 1 4 . 1 1 24 24 ILE H H 24 7.760 7.760 7.627 0.133 25670 241 1 4 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.991 0.004 25670 242 1 4 . 1 1 25 25 ILE H H 25 8.063 8.063 7.940 0.123 25670 243 1 4 . 1 1 26 26 GLY H H 26 8.361 8.361 8.357 0.004 25670 244 1 4 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.651 0.026 25670 245 1 4 . 1 1 27 27 ASN H H 27 8.064 8.064 8.028 0.036 25670 246 1 4 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.421 0.208 25670 247 1 4 . 1 1 28 28 ASN H H 28 8.289 8.289 8.636 -0.347 25670 248 1 4 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.136 0.079 25670 249 1 4 . 1 1 29 29 ALA H H 29 8.348 8.348 7.719 0.629 25670 250 1 4 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.054 0.130 25670 251 1 4 . 1 1 30 30 ALA H H 30 8.080 8.080 7.956 0.124 25670 252 1 4 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.009 0.173 25670 253 1 4 . 1 1 31 31 ALA H H 31 7.967 7.967 7.716 0.251 25670 254 1 4 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.571 0.036 25670 255 1 4 . 1 1 32 32 ASN H H 32 8.058 8.058 7.781 0.277 25670 256 1 4 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.192 0.130 25670 257 1 4 . 1 1 33 33 LEU H H 33 8.172 8.172 7.508 0.664 25670 258 1 4 . 1 1 34 34 THR HA H 34 4.355 4.355 4.286 0.069 25670 259 1 4 . 1 1 34 34 THR H H 34 7.990 7.990 7.274 0.716 25670 260 1 4 . 1 1 35 35 THR HA H 35 4.408 4.408 4.464 -0.056 25670 261 1 4 . 1 1 35 35 THR H H 35 7.830 7.830 7.223 0.607 25670 262 1 4 . 1 1 36 36 GLY H H 36 8.175 8.175 7.546 0.629 25670 263 1 4 . 1 1 37 37 GLY H H 37 8.322 8.322 8.103 0.219 25670 264 1 4 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.348 -0.027 25670 265 1 4 . 1 1 39 39 ALA H H 39 8.130 8.130 8.821 -0.691 25670 266 1 4 . 1 1 40 40 GLY H H 40 8.156 8.156 8.664 -0.508 25670 267 1 4 . 1 1 41 41 TRP HA H 41 4.660 4.660 5.025 -0.365 25670 268 1 4 . 1 1 41 41 TRP H H 41 7.930 7.930 8.043 -0.113 25670 269 1 5 . 1 1 2 2 TYR H H 2 8.594 8.594 8.762 -0.168 25670 270 1 5 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.279 0.254 25670 271 1 5 . 1 1 3 3 TYR H H 3 8.284 8.284 8.755 -0.471 25670 272 1 5 . 1 1 4 4 GLY H H 4 6.958 6.958 7.480 -0.522 25670 273 1 5 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.731 -0.034 25670 274 1 5 . 1 1 5 5 ASN H H 5 8.348 8.348 8.192 0.156 25670 275 1 5 . 1 1 6 6 GLY H H 6 8.358 8.358 7.987 0.371 25670 276 1 5 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.177 0.248 25670 277 1 5 . 1 1 7 7 VAL H H 7 7.768 7.768 7.983 -0.215 25670 278 1 5 . 1 1 8 8 SER HA H 8 4.929 4.929 4.720 0.209 25670 279 1 5 . 1 1 8 8 SER H H 8 8.548 8.548 8.067 0.481 25670 280 1 5 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.735 0.672 25670 281 1 5 . 1 1 9 9 CYS H H 9 8.600 8.600 8.915 -0.315 25670 282 1 5 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.810 0.015 25670 283 1 5 . 1 1 10 10 ASN H H 10 8.897 8.897 8.971 -0.074 25670 284 1 5 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.431 -0.221 25670 285 1 5 . 1 1 11 11 LYS H H 11 8.172 8.172 8.139 0.033 25670 286 1 5 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.153 0.191 25670 287 1 5 . 1 1 12 12 LYS H H 12 8.262 8.262 8.174 0.088 25670 288 1 5 . 1 1 13 13 GLY H H 13 7.960 7.960 8.101 -0.141 25670 289 1 5 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.862 0.587 25670 290 1 5 . 1 1 14 14 CYS H H 14 8.296 8.296 8.301 -0.005 25670 291 1 5 . 1 1 15 15 SER HA H 15 4.628 4.628 4.516 0.112 25670 292 1 5 . 1 1 15 15 SER H H 15 8.853 8.853 8.402 0.451 25670 293 1 5 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.612 0.628 25670 294 1 5 . 1 1 16 16 VAL H H 16 7.987 7.987 7.725 0.262 25670 295 1 5 . 1 1 17 17 ASP H H 17 8.397 8.397 8.335 0.062 25670 296 1 5 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.532 -0.044 25670 297 1 5 . 1 1 18 18 TRP H H 18 8.013 8.013 8.086 -0.073 25670 298 1 5 . 1 1 19 19 GLY H H 19 8.325 8.325 8.348 -0.023 25670 299 1 5 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.714 -0.451 25670 300 1 5 . 1 1 20 20 LYS H H 20 7.700 7.700 7.626 0.074 25670 301 1 5 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.547 -0.337 25670 302 1 5 . 1 1 21 21 ALA H H 21 7.992 7.992 8.018 -0.026 25670 303 1 5 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.904 0.123 25670 304 1 5 . 1 1 22 22 ILE H H 22 7.972 7.972 8.472 -0.500 25670 305 1 5 . 1 1 23 23 GLY H H 23 7.914 7.914 8.547 -0.633 25670 306 1 5 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.272 -0.207 25670 307 1 5 . 1 1 24 24 ILE H H 24 7.760 7.760 7.730 0.030 25670 308 1 5 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.800 0.195 25670 309 1 5 . 1 1 25 25 ILE H H 25 8.063 8.063 8.106 -0.043 25670 310 1 5 . 1 1 26 26 GLY H H 26 8.361 8.361 7.903 0.458 25670 311 1 5 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.860 -0.183 25670 312 1 5 . 1 1 27 27 ASN H H 27 8.064 8.064 8.238 -0.174 25670 313 1 5 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.542 0.087 25670 314 1 5 . 1 1 28 28 ASN H H 28 8.289 8.289 8.847 -0.558 25670 315 1 5 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.576 -0.361 25670 316 1 5 . 1 1 29 29 ALA H H 29 8.348 8.348 8.179 0.169 25670 317 1 5 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.446 -0.262 25670 318 1 5 . 1 1 30 30 ALA H H 30 8.080 8.080 7.644 0.436 25670 319 1 5 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.963 0.219 25670 320 1 5 . 1 1 31 31 ALA H H 31 7.967 7.967 7.697 0.270 25670 321 1 5 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.603 0.004 25670 322 1 5 . 1 1 32 32 ASN H H 32 8.058 8.058 8.492 -0.434 25670 323 1 5 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.164 0.158 25670 324 1 5 . 1 1 33 33 LEU H H 33 8.172 8.172 7.337 0.835 25670 325 1 5 . 1 1 34 34 THR HA H 34 4.355 4.355 4.140 0.215 25670 326 1 5 . 1 1 34 34 THR H H 34 7.990 7.990 7.838 0.152 25670 327 1 5 . 1 1 35 35 THR HA H 35 4.408 4.408 4.030 0.378 25670 328 1 5 . 1 1 35 35 THR H H 35 7.830 7.830 7.624 0.206 25670 329 1 5 . 1 1 36 36 GLY H H 36 8.175 8.175 8.337 -0.162 25670 330 1 5 . 1 1 37 37 GLY H H 37 8.322 8.322 8.151 0.171 25670 331 1 5 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.499 -0.178 25670 332 1 5 . 1 1 39 39 ALA H H 39 8.130 8.130 8.754 -0.624 25670 333 1 5 . 1 1 40 40 GLY H H 40 8.156 8.156 8.241 -0.085 25670 334 1 5 . 1 1 41 41 TRP HA H 41 4.660 4.660 5.047 -0.387 25670 335 1 5 . 1 1 41 41 TRP H H 41 7.930 7.930 7.855 0.075 25670 336 1 6 . 1 1 2 2 TYR H H 2 8.594 8.594 8.830 -0.236 25670 337 1 6 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.126 0.407 25670 338 1 6 . 1 1 3 3 TYR H H 3 8.284 8.284 8.649 -0.365 25670 339 1 6 . 1 1 4 4 GLY H H 4 6.958 6.958 7.842 -0.884 25670 340 1 6 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.617 0.080 25670 341 1 6 . 1 1 5 5 ASN H H 5 8.348 8.348 7.911 0.437 25670 342 1 6 . 1 1 6 6 GLY H H 6 8.358 8.358 7.843 0.514 25670 343 1 6 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.341 0.084 25670 344 1 6 . 1 1 7 7 VAL H H 7 7.768 7.768 7.461 0.307 25670 345 1 6 . 1 1 8 8 SER HA H 8 4.929 4.929 4.650 0.279 25670 346 1 6 . 1 1 8 8 SER H H 8 8.548 8.548 8.314 0.234 25670 347 1 6 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.326 1.081 25670 348 1 6 . 1 1 9 9 CYS H H 9 8.600 8.600 8.499 0.101 25670 349 1 6 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.399 0.426 25670 350 1 6 . 1 1 10 10 ASN H H 10 8.897 8.897 8.550 0.347 25670 351 1 6 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.484 -0.274 25670 352 1 6 . 1 1 11 11 LYS H H 11 8.172 8.172 8.204 -0.032 25670 353 1 6 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.445 -0.101 25670 354 1 6 . 1 1 12 12 LYS H H 12 8.262 8.262 7.932 0.330 25670 355 1 6 . 1 1 13 13 GLY H H 13 7.960 7.960 7.888 0.072 25670 356 1 6 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.900 0.549 25670 357 1 6 . 1 1 14 14 CYS H H 14 8.296 8.296 8.725 -0.429 25670 358 1 6 . 1 1 15 15 SER HA H 15 4.628 4.628 4.406 0.222 25670 359 1 6 . 1 1 15 15 SER H H 15 8.853 8.853 8.470 0.383 25670 360 1 6 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.655 0.585 25670 361 1 6 . 1 1 16 16 VAL H H 16 7.987 7.987 7.610 0.377 25670 362 1 6 . 1 1 17 17 ASP H H 17 8.397 8.397 7.929 0.468 25670 363 1 6 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.475 0.013 25670 364 1 6 . 1 1 18 18 TRP H H 18 8.013 8.013 8.252 -0.239 25670 365 1 6 . 1 1 19 19 GLY H H 19 8.325 8.325 8.463 -0.138 25670 366 1 6 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.422 -0.159 25670 367 1 6 . 1 1 20 20 LYS H H 20 7.700 7.700 7.641 0.059 25670 368 1 6 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.325 -0.115 25670 369 1 6 . 1 1 21 21 ALA H H 21 7.992 7.992 7.992 -0.000 25670 370 1 6 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.748 0.279 25670 371 1 6 . 1 1 22 22 ILE H H 22 7.972 7.972 8.204 -0.232 25670 372 1 6 . 1 1 23 23 GLY H H 23 7.914 7.914 8.414 -0.500 25670 373 1 6 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.918 0.147 25670 374 1 6 . 1 1 24 24 ILE H H 24 7.760 7.760 7.465 0.295 25670 375 1 6 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.674 0.321 25670 376 1 6 . 1 1 25 25 ILE H H 25 8.063 8.063 8.267 -0.204 25670 377 1 6 . 1 1 26 26 GLY H H 26 8.361 8.361 8.720 -0.359 25670 378 1 6 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.578 0.099 25670 379 1 6 . 1 1 27 27 ASN H H 27 8.064 8.064 7.513 0.551 25670 380 1 6 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.520 0.109 25670 381 1 6 . 1 1 28 28 ASN H H 28 8.289 8.289 8.507 -0.218 25670 382 1 6 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.297 -0.082 25670 383 1 6 . 1 1 29 29 ALA H H 29 8.348 8.348 7.875 0.473 25670 384 1 6 . 1 1 30 30 ALA HA H 30 4.184 4.184 3.999 0.185 25670 385 1 6 . 1 1 30 30 ALA H H 30 8.080 8.080 7.610 0.470 25670 386 1 6 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.991 0.191 25670 387 1 6 . 1 1 31 31 ALA H H 31 7.967 7.967 7.815 0.152 25670 388 1 6 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.626 -0.019 25670 389 1 6 . 1 1 32 32 ASN H H 32 8.058 8.058 7.908 0.150 25670 390 1 6 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.111 0.211 25670 391 1 6 . 1 1 33 33 LEU H H 33 8.172 8.172 7.299 0.873 25670 392 1 6 . 1 1 34 34 THR HA H 34 4.355 4.355 4.233 0.122 25670 393 1 6 . 1 1 34 34 THR H H 34 7.990 7.990 7.692 0.298 25670 394 1 6 . 1 1 35 35 THR HA H 35 4.408 4.408 4.568 -0.160 25670 395 1 6 . 1 1 35 35 THR H H 35 7.830 7.830 7.509 0.321 25670 396 1 6 . 1 1 36 36 GLY H H 36 8.175 8.175 7.563 0.612 25670 397 1 6 . 1 1 37 37 GLY H H 37 8.322 8.322 7.918 0.404 25670 398 1 6 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.476 -0.155 25670 399 1 6 . 1 1 39 39 ALA H H 39 8.130 8.130 8.191 -0.061 25670 400 1 6 . 1 1 40 40 GLY H H 40 8.156 8.156 8.149 0.007 25670 401 1 6 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.839 -0.179 25670 402 1 6 . 1 1 41 41 TRP H H 41 7.930 7.930 8.054 -0.124 25670 403 1 7 . 1 1 2 2 TYR H H 2 8.594 8.594 8.815 -0.221 25670 404 1 7 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.147 0.386 25670 405 1 7 . 1 1 3 3 TYR H H 3 8.284 8.284 8.800 -0.516 25670 406 1 7 . 1 1 4 4 GLY H H 4 6.958 6.958 7.666 -0.708 25670 407 1 7 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.515 0.182 25670 408 1 7 . 1 1 5 5 ASN H H 5 8.348 8.348 8.169 0.179 25670 409 1 7 . 1 1 6 6 GLY H H 6 8.358 8.358 7.787 0.571 25670 410 1 7 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.247 0.178 25670 411 1 7 . 1 1 7 7 VAL H H 7 7.768 7.768 7.818 -0.050 25670 412 1 7 . 1 1 8 8 SER HA H 8 4.929 4.929 4.607 0.322 25670 413 1 7 . 1 1 8 8 SER H H 8 8.548 8.548 8.341 0.207 25670 414 1 7 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.155 0.252 25670 415 1 7 . 1 1 9 9 CYS H H 9 8.600 8.600 8.675 -0.075 25670 416 1 7 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.849 -0.024 25670 417 1 7 . 1 1 10 10 ASN H H 10 8.897 8.897 9.089 -0.192 25670 418 1 7 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.372 -0.162 25670 419 1 7 . 1 1 11 11 LYS H H 11 8.172 8.172 8.298 -0.126 25670 420 1 7 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.270 0.074 25670 421 1 7 . 1 1 12 12 LYS H H 12 8.262 8.262 8.310 -0.048 25670 422 1 7 . 1 1 13 13 GLY H H 13 7.960 7.960 7.778 0.182 25670 423 1 7 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.590 -0.141 25670 424 1 7 . 1 1 14 14 CYS H H 14 8.296 8.296 8.490 -0.194 25670 425 1 7 . 1 1 15 15 SER HA H 15 4.628 4.628 4.399 0.229 25670 426 1 7 . 1 1 15 15 SER H H 15 8.853 8.853 8.716 0.137 25670 427 1 7 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.640 0.600 25670 428 1 7 . 1 1 16 16 VAL H H 16 7.987 7.987 7.484 0.503 25670 429 1 7 . 1 1 17 17 ASP H H 17 8.397 8.397 8.278 0.119 25670 430 1 7 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.573 -0.085 25670 431 1 7 . 1 1 18 18 TRP H H 18 8.013 8.013 8.100 -0.087 25670 432 1 7 . 1 1 19 19 GLY H H 19 8.325 8.325 8.530 -0.205 25670 433 1 7 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.457 -0.194 25670 434 1 7 . 1 1 20 20 LYS H H 20 7.700 7.700 7.905 -0.205 25670 435 1 7 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.499 -0.289 25670 436 1 7 . 1 1 21 21 ALA H H 21 7.992 7.992 8.098 -0.106 25670 437 1 7 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.899 0.128 25670 438 1 7 . 1 1 22 22 ILE H H 22 7.972 7.972 8.005 -0.033 25670 439 1 7 . 1 1 23 23 GLY H H 23 7.914 7.914 8.917 -1.003 25670 440 1 7 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.825 0.240 25670 441 1 7 . 1 1 24 24 ILE H H 24 7.760 7.760 7.504 0.256 25670 442 1 7 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.930 0.065 25670 443 1 7 . 1 1 25 25 ILE H H 25 8.063 8.063 7.374 0.689 25670 444 1 7 . 1 1 26 26 GLY H H 26 8.361 8.361 8.782 -0.421 25670 445 1 7 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.853 -0.176 25670 446 1 7 . 1 1 27 27 ASN H H 27 8.064 8.064 7.637 0.427 25670 447 1 7 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.493 0.136 25670 448 1 7 . 1 1 28 28 ASN H H 28 8.289 8.289 7.766 0.523 25670 449 1 7 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.173 0.042 25670 450 1 7 . 1 1 29 29 ALA H H 29 8.348 8.348 7.793 0.555 25670 451 1 7 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.043 0.141 25670 452 1 7 . 1 1 30 30 ALA H H 30 8.080 8.080 8.041 0.039 25670 453 1 7 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.087 0.095 25670 454 1 7 . 1 1 31 31 ALA H H 31 7.967 7.967 7.699 0.268 25670 455 1 7 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.583 0.024 25670 456 1 7 . 1 1 32 32 ASN H H 32 8.058 8.058 7.647 0.411 25670 457 1 7 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.088 0.234 25670 458 1 7 . 1 1 33 33 LEU H H 33 8.172 8.172 8.068 0.104 25670 459 1 7 . 1 1 34 34 THR HA H 34 4.355 4.355 4.290 0.065 25670 460 1 7 . 1 1 34 34 THR H H 34 7.990 7.990 7.558 0.432 25670 461 1 7 . 1 1 35 35 THR HA H 35 4.408 4.408 3.928 0.480 25670 462 1 7 . 1 1 35 35 THR H H 35 7.830 7.830 7.612 0.218 25670 463 1 7 . 1 1 36 36 GLY H H 36 8.175 8.175 7.971 0.204 25670 464 1 7 . 1 1 37 37 GLY H H 37 8.322 8.322 7.948 0.374 25670 465 1 7 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.628 -0.307 25670 466 1 7 . 1 1 39 39 ALA H H 39 8.130 8.130 8.181 -0.051 25670 467 1 7 . 1 1 40 40 GLY H H 40 8.156 8.156 8.882 -0.726 25670 468 1 7 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.596 0.064 25670 469 1 7 . 1 1 41 41 TRP H H 41 7.930 7.930 7.983 -0.053 25670 470 1 8 . 1 1 2 2 TYR H H 2 8.594 8.594 8.696 -0.102 25670 471 1 8 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.211 0.322 25670 472 1 8 . 1 1 3 3 TYR H H 3 8.284 8.284 8.978 -0.694 25670 473 1 8 . 1 1 4 4 GLY H H 4 6.958 6.958 7.509 -0.551 25670 474 1 8 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.464 0.233 25670 475 1 8 . 1 1 5 5 ASN H H 5 8.348 8.348 8.235 0.113 25670 476 1 8 . 1 1 6 6 GLY H H 6 8.358 8.358 7.841 0.517 25670 477 1 8 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.590 -0.165 25670 478 1 8 . 1 1 7 7 VAL H H 7 7.768 7.768 7.733 0.035 25670 479 1 8 . 1 1 8 8 SER HA H 8 4.929 4.929 4.957 -0.028 25670 480 1 8 . 1 1 8 8 SER H H 8 8.548 8.548 8.767 -0.219 25670 481 1 8 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.556 -0.149 25670 482 1 8 . 1 1 9 9 CYS H H 9 8.600 8.600 8.374 0.226 25670 483 1 8 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.801 0.024 25670 484 1 8 . 1 1 10 10 ASN H H 10 8.897 8.897 9.054 -0.157 25670 485 1 8 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.487 -0.277 25670 486 1 8 . 1 1 11 11 LYS H H 11 8.172 8.172 8.214 -0.042 25670 487 1 8 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.497 -0.153 25670 488 1 8 . 1 1 12 12 LYS H H 12 8.262 8.262 8.198 0.064 25670 489 1 8 . 1 1 13 13 GLY H H 13 7.960 7.960 7.740 0.220 25670 490 1 8 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.327 0.122 25670 491 1 8 . 1 1 14 14 CYS H H 14 8.296 8.296 8.733 -0.437 25670 492 1 8 . 1 1 15 15 SER HA H 15 4.628 4.628 4.512 0.116 25670 493 1 8 . 1 1 15 15 SER H H 15 8.853 8.853 8.889 -0.036 25670 494 1 8 . 1 1 16 16 VAL HA H 16 4.240 4.240 4.201 0.039 25670 495 1 8 . 1 1 16 16 VAL H H 16 7.987 7.987 8.267 -0.280 25670 496 1 8 . 1 1 17 17 ASP H H 17 8.397 8.397 8.556 -0.159 25670 497 1 8 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.606 -0.118 25670 498 1 8 . 1 1 18 18 TRP H H 18 8.013 8.013 8.170 -0.157 25670 499 1 8 . 1 1 19 19 GLY H H 19 8.325 8.325 8.264 0.061 25670 500 1 8 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.724 -0.461 25670 501 1 8 . 1 1 20 20 LYS H H 20 7.700 7.700 8.042 -0.342 25670 502 1 8 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.467 -0.257 25670 503 1 8 . 1 1 21 21 ALA H H 21 7.992 7.992 7.881 0.111 25670 504 1 8 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.756 0.271 25670 505 1 8 . 1 1 22 22 ILE H H 22 7.972 7.972 8.293 -0.321 25670 506 1 8 . 1 1 23 23 GLY H H 23 7.914 7.914 8.698 -0.784 25670 507 1 8 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.973 0.092 25670 508 1 8 . 1 1 24 24 ILE H H 24 7.760 7.760 7.503 0.257 25670 509 1 8 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.750 0.245 25670 510 1 8 . 1 1 25 25 ILE H H 25 8.063 8.063 8.349 -0.286 25670 511 1 8 . 1 1 26 26 GLY H H 26 8.361 8.361 8.483 -0.122 25670 512 1 8 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.530 0.147 25670 513 1 8 . 1 1 27 27 ASN H H 27 8.064 8.064 7.739 0.325 25670 514 1 8 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.519 0.110 25670 515 1 8 . 1 1 28 28 ASN H H 28 8.289 8.289 7.659 0.630 25670 516 1 8 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.125 0.090 25670 517 1 8 . 1 1 29 29 ALA H H 29 8.348 8.348 7.770 0.578 25670 518 1 8 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.001 0.183 25670 519 1 8 . 1 1 30 30 ALA H H 30 8.080 8.080 7.666 0.414 25670 520 1 8 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.985 0.197 25670 521 1 8 . 1 1 31 31 ALA H H 31 7.967 7.967 8.072 -0.105 25670 522 1 8 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.511 0.096 25670 523 1 8 . 1 1 32 32 ASN H H 32 8.058 8.058 8.013 0.045 25670 524 1 8 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.213 0.109 25670 525 1 8 . 1 1 33 33 LEU H H 33 8.172 8.172 7.342 0.830 25670 526 1 8 . 1 1 34 34 THR HA H 34 4.355 4.355 4.192 0.163 25670 527 1 8 . 1 1 34 34 THR H H 34 7.990 7.990 8.301 -0.311 25670 528 1 8 . 1 1 35 35 THR HA H 35 4.408 4.408 4.028 0.380 25670 529 1 8 . 1 1 35 35 THR H H 35 7.830 7.830 7.778 0.052 25670 530 1 8 . 1 1 36 36 GLY H H 36 8.175 8.175 8.324 -0.149 25670 531 1 8 . 1 1 37 37 GLY H H 37 8.322 8.322 8.401 -0.079 25670 532 1 8 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.695 -0.374 25670 533 1 8 . 1 1 39 39 ALA H H 39 8.130 8.130 8.405 -0.275 25670 534 1 8 . 1 1 40 40 GLY H H 40 8.156 8.156 8.446 -0.290 25670 535 1 8 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.661 -0.001 25670 536 1 8 . 1 1 41 41 TRP H H 41 7.930 7.930 8.028 -0.098 25670 537 1 9 . 1 1 2 2 TYR H H 2 8.594 8.594 8.663 -0.069 25670 538 1 9 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.150 0.383 25670 539 1 9 . 1 1 3 3 TYR H H 3 8.284 8.284 8.836 -0.552 25670 540 1 9 . 1 1 4 4 GLY H H 4 6.958 6.958 7.929 -0.971 25670 541 1 9 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.804 -0.107 25670 542 1 9 . 1 1 5 5 ASN H H 5 8.348 8.348 8.049 0.299 25670 543 1 9 . 1 1 6 6 GLY H H 6 8.358 8.358 8.092 0.266 25670 544 1 9 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.392 0.033 25670 545 1 9 . 1 1 7 7 VAL H H 7 7.768 7.768 7.847 -0.079 25670 546 1 9 . 1 1 8 8 SER HA H 8 4.929 4.929 4.143 0.786 25670 547 1 9 . 1 1 8 8 SER H H 8 8.548 8.548 8.555 -0.007 25670 548 1 9 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.673 0.734 25670 549 1 9 . 1 1 9 9 CYS H H 9 8.600 8.600 8.149 0.451 25670 550 1 9 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.656 0.169 25670 551 1 9 . 1 1 10 10 ASN H H 10 8.897 8.897 8.880 0.017 25670 552 1 9 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.317 -0.107 25670 553 1 9 . 1 1 11 11 LYS H H 11 8.172 8.172 7.938 0.234 25670 554 1 9 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.143 0.201 25670 555 1 9 . 1 1 12 12 LYS H H 12 8.262 8.262 8.117 0.145 25670 556 1 9 . 1 1 13 13 GLY H H 13 7.960 7.960 7.801 0.159 25670 557 1 9 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.648 0.801 25670 558 1 9 . 1 1 14 14 CYS H H 14 8.296 8.296 8.615 -0.319 25670 559 1 9 . 1 1 15 15 SER HA H 15 4.628 4.628 4.444 0.184 25670 560 1 9 . 1 1 15 15 SER H H 15 8.853 8.853 8.598 0.255 25670 561 1 9 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.670 0.570 25670 562 1 9 . 1 1 16 16 VAL H H 16 7.987 7.987 7.715 0.272 25670 563 1 9 . 1 1 17 17 ASP H H 17 8.397 8.397 8.182 0.215 25670 564 1 9 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.587 -0.099 25670 565 1 9 . 1 1 18 18 TRP H H 18 8.013 8.013 8.194 -0.181 25670 566 1 9 . 1 1 19 19 GLY H H 19 8.325 8.325 8.039 0.286 25670 567 1 9 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.743 -0.480 25670 568 1 9 . 1 1 20 20 LYS H H 20 7.700 7.700 7.968 -0.268 25670 569 1 9 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.604 -0.394 25670 570 1 9 . 1 1 21 21 ALA H H 21 7.992 7.992 8.067 -0.075 25670 571 1 9 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.966 0.061 25670 572 1 9 . 1 1 22 22 ILE H H 22 7.972 7.972 8.171 -0.199 25670 573 1 9 . 1 1 23 23 GLY H H 23 7.914 7.914 8.495 -0.581 25670 574 1 9 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.232 -0.167 25670 575 1 9 . 1 1 24 24 ILE H H 24 7.760 7.760 7.161 0.599 25670 576 1 9 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.854 0.141 25670 577 1 9 . 1 1 25 25 ILE H H 25 8.063 8.063 7.715 0.348 25670 578 1 9 . 1 1 26 26 GLY H H 26 8.361 8.361 8.495 -0.134 25670 579 1 9 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.621 0.056 25670 580 1 9 . 1 1 27 27 ASN H H 27 8.064 8.064 7.884 0.180 25670 581 1 9 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.438 0.191 25670 582 1 9 . 1 1 28 28 ASN H H 28 8.289 8.289 7.550 0.739 25670 583 1 9 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.161 0.054 25670 584 1 9 . 1 1 29 29 ALA H H 29 8.348 8.348 7.864 0.484 25670 585 1 9 . 1 1 30 30 ALA HA H 30 4.184 4.184 3.994 0.190 25670 586 1 9 . 1 1 30 30 ALA H H 30 8.080 8.080 7.793 0.287 25670 587 1 9 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.035 0.147 25670 588 1 9 . 1 1 31 31 ALA H H 31 7.967 7.967 7.741 0.226 25670 589 1 9 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.569 0.038 25670 590 1 9 . 1 1 32 32 ASN H H 32 8.058 8.058 7.699 0.359 25670 591 1 9 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.204 0.118 25670 592 1 9 . 1 1 33 33 LEU H H 33 8.172 8.172 8.497 -0.325 25670 593 1 9 . 1 1 34 34 THR HA H 34 4.355 4.355 3.992 0.363 25670 594 1 9 . 1 1 34 34 THR H H 34 7.990 7.990 7.853 0.137 25670 595 1 9 . 1 1 35 35 THR HA H 35 4.408 4.408 4.255 0.153 25670 596 1 9 . 1 1 35 35 THR H H 35 7.830 7.830 7.749 0.081 25670 597 1 9 . 1 1 36 36 GLY H H 36 8.175 8.175 7.822 0.353 25670 598 1 9 . 1 1 37 37 GLY H H 37 8.322 8.322 7.760 0.562 25670 599 1 9 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.615 -0.294 25670 600 1 9 . 1 1 39 39 ALA H H 39 8.130 8.130 7.613 0.517 25670 601 1 9 . 1 1 40 40 GLY H H 40 8.156 8.156 8.120 0.036 25670 602 1 9 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.723 -0.063 25670 603 1 9 . 1 1 41 41 TRP H H 41 7.930 7.930 7.279 0.651 25670 604 1 10 . 1 1 2 2 TYR H H 2 8.594 8.594 8.572 0.022 25670 605 1 10 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.216 0.317 25670 606 1 10 . 1 1 3 3 TYR H H 3 8.284 8.284 8.619 -0.335 25670 607 1 10 . 1 1 4 4 GLY H H 4 6.958 6.958 8.316 -1.358 25670 608 1 10 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.689 0.008 25670 609 1 10 . 1 1 5 5 ASN H H 5 8.348 8.348 8.171 0.177 25670 610 1 10 . 1 1 6 6 GLY H H 6 8.358 8.358 8.064 0.294 25670 611 1 10 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.230 0.195 25670 612 1 10 . 1 1 7 7 VAL H H 7 7.768 7.768 7.913 -0.145 25670 613 1 10 . 1 1 8 8 SER HA H 8 4.929 4.929 4.605 0.324 25670 614 1 10 . 1 1 8 8 SER H H 8 8.548 8.548 8.376 0.172 25670 615 1 10 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.834 0.573 25670 616 1 10 . 1 1 9 9 CYS H H 9 8.600 8.600 8.666 -0.066 25670 617 1 10 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.756 0.069 25670 618 1 10 . 1 1 10 10 ASN H H 10 8.897 8.897 9.143 -0.246 25670 619 1 10 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.543 -0.333 25670 620 1 10 . 1 1 11 11 LYS H H 11 8.172 8.172 8.222 -0.050 25670 621 1 10 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.496 -0.152 25670 622 1 10 . 1 1 12 12 LYS H H 12 8.262 8.262 8.335 -0.073 25670 623 1 10 . 1 1 13 13 GLY H H 13 7.960 7.960 7.798 0.162 25670 624 1 10 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.110 0.339 25670 625 1 10 . 1 1 14 14 CYS H H 14 8.296 8.296 8.363 -0.067 25670 626 1 10 . 1 1 15 15 SER HA H 15 4.628 4.628 4.570 0.058 25670 627 1 10 . 1 1 15 15 SER H H 15 8.853 8.853 8.846 0.007 25670 628 1 10 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.687 0.553 25670 629 1 10 . 1 1 16 16 VAL H H 16 7.987 7.987 7.686 0.301 25670 630 1 10 . 1 1 17 17 ASP H H 17 8.397 8.397 7.910 0.487 25670 631 1 10 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.623 -0.135 25670 632 1 10 . 1 1 18 18 TRP H H 18 8.013 8.013 8.314 -0.301 25670 633 1 10 . 1 1 19 19 GLY H H 19 8.325 8.325 8.018 0.307 25670 634 1 10 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.506 -0.243 25670 635 1 10 . 1 1 20 20 LYS H H 20 7.700 7.700 8.088 -0.388 25670 636 1 10 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.150 0.060 25670 637 1 10 . 1 1 21 21 ALA H H 21 7.992 7.992 8.202 -0.210 25670 638 1 10 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.930 0.097 25670 639 1 10 . 1 1 22 22 ILE H H 22 7.972 7.972 8.304 -0.332 25670 640 1 10 . 1 1 23 23 GLY H H 23 7.914 7.914 7.632 0.282 25670 641 1 10 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.346 -0.281 25670 642 1 10 . 1 1 24 24 ILE H H 24 7.760 7.760 7.651 0.109 25670 643 1 10 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.887 0.108 25670 644 1 10 . 1 1 25 25 ILE H H 25 8.063 8.063 7.420 0.643 25670 645 1 10 . 1 1 26 26 GLY H H 26 8.361 8.361 8.899 -0.538 25670 646 1 10 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.597 0.080 25670 647 1 10 . 1 1 27 27 ASN H H 27 8.064 8.064 7.685 0.379 25670 648 1 10 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.595 0.034 25670 649 1 10 . 1 1 28 28 ASN H H 28 8.289 8.289 7.591 0.698 25670 650 1 10 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.237 -0.022 25670 651 1 10 . 1 1 29 29 ALA H H 29 8.348 8.348 8.697 -0.349 25670 652 1 10 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.016 0.168 25670 653 1 10 . 1 1 30 30 ALA H H 30 8.080 8.080 7.865 0.215 25670 654 1 10 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.056 0.126 25670 655 1 10 . 1 1 31 31 ALA H H 31 7.967 7.967 7.889 0.078 25670 656 1 10 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.619 -0.012 25670 657 1 10 . 1 1 32 32 ASN H H 32 8.058 8.058 8.025 0.033 25670 658 1 10 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.283 0.039 25670 659 1 10 . 1 1 33 33 LEU H H 33 8.172 8.172 7.469 0.703 25670 660 1 10 . 1 1 34 34 THR HA H 34 4.355 4.355 4.282 0.073 25670 661 1 10 . 1 1 34 34 THR H H 34 7.990 7.990 8.337 -0.347 25670 662 1 10 . 1 1 35 35 THR HA H 35 4.408 4.408 4.137 0.271 25670 663 1 10 . 1 1 35 35 THR H H 35 7.830 7.830 7.688 0.142 25670 664 1 10 . 1 1 36 36 GLY H H 36 8.175 8.175 8.365 -0.190 25670 665 1 10 . 1 1 37 37 GLY H H 37 8.322 8.322 8.450 -0.128 25670 666 1 10 . 1 1 39 39 ALA HA H 39 4.321 4.321 3.713 0.608 25670 667 1 10 . 1 1 39 39 ALA H H 39 8.130 8.130 8.167 -0.037 25670 668 1 10 . 1 1 40 40 GLY H H 40 8.156 8.156 8.828 -0.672 25670 669 1 10 . 1 1 41 41 TRP HA H 41 4.660 4.660 5.234 -0.574 25670 670 1 10 . 1 1 41 41 TRP H H 41 7.930 7.930 7.897 0.033 25670 671 1 11 . 1 1 2 2 TYR H H 2 8.594 8.594 8.371 0.223 25670 672 1 11 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.704 -0.171 25670 673 1 11 . 1 1 3 3 TYR H H 3 8.284 8.284 8.846 -0.562 25670 674 1 11 . 1 1 4 4 GLY H H 4 6.958 6.958 7.853 -0.895 25670 675 1 11 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.630 0.067 25670 676 1 11 . 1 1 5 5 ASN H H 5 8.348 8.348 8.292 0.056 25670 677 1 11 . 1 1 6 6 GLY H H 6 8.358 8.358 7.802 0.556 25670 678 1 11 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.113 0.312 25670 679 1 11 . 1 1 7 7 VAL H H 7 7.768 7.768 7.912 -0.144 25670 680 1 11 . 1 1 8 8 SER HA H 8 4.929 4.929 4.749 0.180 25670 681 1 11 . 1 1 8 8 SER H H 8 8.548 8.548 8.247 0.301 25670 682 1 11 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.813 0.594 25670 683 1 11 . 1 1 9 9 CYS H H 9 8.600 8.600 8.928 -0.328 25670 684 1 11 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.839 -0.014 25670 685 1 11 . 1 1 10 10 ASN H H 10 8.897 8.897 8.735 0.162 25670 686 1 11 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.417 -0.207 25670 687 1 11 . 1 1 11 11 LYS H H 11 8.172 8.172 7.987 0.185 25670 688 1 11 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.128 0.216 25670 689 1 11 . 1 1 12 12 LYS H H 12 8.262 8.262 8.218 0.044 25670 690 1 11 . 1 1 13 13 GLY H H 13 7.960 7.960 8.301 -0.341 25670 691 1 11 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.036 0.413 25670 692 1 11 . 1 1 14 14 CYS H H 14 8.296 8.296 7.845 0.451 25670 693 1 11 . 1 1 15 15 SER HA H 15 4.628 4.628 4.548 0.080 25670 694 1 11 . 1 1 15 15 SER H H 15 8.853 8.853 8.591 0.262 25670 695 1 11 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.637 0.603 25670 696 1 11 . 1 1 16 16 VAL H H 16 7.987 7.987 7.586 0.401 25670 697 1 11 . 1 1 17 17 ASP H H 17 8.397 8.397 8.186 0.211 25670 698 1 11 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.495 -0.007 25670 699 1 11 . 1 1 18 18 TRP H H 18 8.013 8.013 8.065 -0.052 25670 700 1 11 . 1 1 19 19 GLY H H 19 8.325 8.325 8.406 -0.081 25670 701 1 11 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.662 -0.399 25670 702 1 11 . 1 1 20 20 LYS H H 20 7.700 7.700 7.719 -0.019 25670 703 1 11 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.207 0.003 25670 704 1 11 . 1 1 21 21 ALA H H 21 7.992 7.992 7.966 0.026 25670 705 1 11 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.789 0.238 25670 706 1 11 . 1 1 22 22 ILE H H 22 7.972 7.972 8.292 -0.320 25670 707 1 11 . 1 1 23 23 GLY H H 23 7.914 7.914 7.759 0.155 25670 708 1 11 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.982 0.083 25670 709 1 11 . 1 1 24 24 ILE H H 24 7.760 7.760 7.773 -0.013 25670 710 1 11 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.774 0.221 25670 711 1 11 . 1 1 25 25 ILE H H 25 8.063 8.063 7.646 0.417 25670 712 1 11 . 1 1 26 26 GLY H H 26 8.361 8.361 8.009 0.352 25670 713 1 11 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.358 0.319 25670 714 1 11 . 1 1 27 27 ASN H H 27 8.064 8.064 7.788 0.276 25670 715 1 11 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.629 -0.000 25670 716 1 11 . 1 1 28 28 ASN H H 28 8.289 8.289 7.900 0.389 25670 717 1 11 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.167 0.048 25670 718 1 11 . 1 1 29 29 ALA H H 29 8.348 8.348 7.834 0.514 25670 719 1 11 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.503 -0.319 25670 720 1 11 . 1 1 30 30 ALA H H 30 8.080 8.080 7.662 0.418 25670 721 1 11 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.576 -0.394 25670 722 1 11 . 1 1 31 31 ALA H H 31 7.967 7.967 7.802 0.165 25670 723 1 11 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.784 -0.177 25670 724 1 11 . 1 1 32 32 ASN H H 32 8.058 8.058 7.708 0.350 25670 725 1 11 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.163 0.159 25670 726 1 11 . 1 1 33 33 LEU H H 33 8.172 8.172 7.414 0.758 25670 727 1 11 . 1 1 34 34 THR HA H 34 4.355 4.355 4.316 0.039 25670 728 1 11 . 1 1 34 34 THR H H 34 7.990 7.990 7.734 0.256 25670 729 1 11 . 1 1 35 35 THR HA H 35 4.408 4.408 4.122 0.286 25670 730 1 11 . 1 1 35 35 THR H H 35 7.830 7.830 7.738 0.092 25670 731 1 11 . 1 1 36 36 GLY H H 36 8.175 8.175 8.429 -0.254 25670 732 1 11 . 1 1 37 37 GLY H H 37 8.322 8.322 8.229 0.093 25670 733 1 11 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.605 -0.284 25670 734 1 11 . 1 1 39 39 ALA H H 39 8.130 8.130 8.130 -0.000 25670 735 1 11 . 1 1 40 40 GLY H H 40 8.156 8.156 8.813 -0.657 25670 736 1 11 . 1 1 41 41 TRP HA H 41 4.660 4.660 5.197 -0.537 25670 737 1 11 . 1 1 41 41 TRP H H 41 7.930 7.930 6.961 0.969 25670 738 1 12 . 1 1 2 2 TYR H H 2 8.594 8.594 8.396 0.198 25670 739 1 12 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.499 0.034 25670 740 1 12 . 1 1 3 3 TYR H H 3 8.284 8.284 9.230 -0.946 25670 741 1 12 . 1 1 4 4 GLY H H 4 6.958 6.958 7.993 -1.035 25670 742 1 12 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.833 -0.136 25670 743 1 12 . 1 1 5 5 ASN H H 5 8.348 8.348 8.339 0.009 25670 744 1 12 . 1 1 6 6 GLY H H 6 8.358 8.358 8.170 0.188 25670 745 1 12 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.033 0.392 25670 746 1 12 . 1 1 7 7 VAL H H 7 7.768 7.768 8.048 -0.280 25670 747 1 12 . 1 1 8 8 SER HA H 8 4.929 4.929 4.491 0.438 25670 748 1 12 . 1 1 8 8 SER H H 8 8.548 8.548 7.748 0.800 25670 749 1 12 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.591 0.816 25670 750 1 12 . 1 1 9 9 CYS H H 9 8.600 8.600 8.559 0.041 25670 751 1 12 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.956 -0.131 25670 752 1 12 . 1 1 10 10 ASN H H 10 8.897 8.897 8.597 0.300 25670 753 1 12 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.618 -0.408 25670 754 1 12 . 1 1 11 11 LYS H H 11 8.172 8.172 8.098 0.074 25670 755 1 12 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.520 -0.176 25670 756 1 12 . 1 1 12 12 LYS H H 12 8.262 8.262 8.268 -0.006 25670 757 1 12 . 1 1 13 13 GLY H H 13 7.960 7.960 7.830 0.130 25670 758 1 12 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.984 0.465 25670 759 1 12 . 1 1 14 14 CYS H H 14 8.296 8.296 8.582 -0.286 25670 760 1 12 . 1 1 15 15 SER HA H 15 4.628 4.628 4.536 0.092 25670 761 1 12 . 1 1 15 15 SER H H 15 8.853 8.853 8.856 -0.003 25670 762 1 12 . 1 1 16 16 VAL HA H 16 4.240 4.240 4.056 0.184 25670 763 1 12 . 1 1 16 16 VAL H H 16 7.987 7.987 7.549 0.438 25670 764 1 12 . 1 1 17 17 ASP H H 17 8.397 8.397 8.441 -0.044 25670 765 1 12 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.556 -0.068 25670 766 1 12 . 1 1 18 18 TRP H H 18 8.013 8.013 7.933 0.080 25670 767 1 12 . 1 1 19 19 GLY H H 19 8.325 8.325 8.357 -0.032 25670 768 1 12 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.564 -0.301 25670 769 1 12 . 1 1 20 20 LYS H H 20 7.700 7.700 7.724 -0.024 25670 770 1 12 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.112 0.098 25670 771 1 12 . 1 1 21 21 ALA H H 21 7.992 7.992 7.638 0.354 25670 772 1 12 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.993 0.034 25670 773 1 12 . 1 1 22 22 ILE H H 22 7.972 7.972 8.111 -0.139 25670 774 1 12 . 1 1 23 23 GLY H H 23 7.914 7.914 7.684 0.230 25670 775 1 12 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.000 0.065 25670 776 1 12 . 1 1 24 24 ILE H H 24 7.760 7.760 7.269 0.491 25670 777 1 12 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.765 0.230 25670 778 1 12 . 1 1 25 25 ILE H H 25 8.063 8.063 7.629 0.434 25670 779 1 12 . 1 1 26 26 GLY H H 26 8.361 8.361 8.629 -0.268 25670 780 1 12 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.687 -0.010 25670 781 1 12 . 1 1 27 27 ASN H H 27 8.064 8.064 7.770 0.294 25670 782 1 12 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.513 0.116 25670 783 1 12 . 1 1 28 28 ASN H H 28 8.289 8.289 8.418 -0.129 25670 784 1 12 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.370 -0.155 25670 785 1 12 . 1 1 29 29 ALA H H 29 8.348 8.348 8.262 0.086 25670 786 1 12 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.026 0.158 25670 787 1 12 . 1 1 30 30 ALA H H 30 8.080 8.080 7.675 0.405 25670 788 1 12 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.016 0.166 25670 789 1 12 . 1 1 31 31 ALA H H 31 7.967 7.967 7.727 0.240 25670 790 1 12 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.645 -0.038 25670 791 1 12 . 1 1 32 32 ASN H H 32 8.058 8.058 7.939 0.119 25670 792 1 12 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.141 0.181 25670 793 1 12 . 1 1 33 33 LEU H H 33 8.172 8.172 7.476 0.696 25670 794 1 12 . 1 1 34 34 THR HA H 34 4.355 4.355 4.406 -0.051 25670 795 1 12 . 1 1 34 34 THR H H 34 7.990 7.990 7.568 0.422 25670 796 1 12 . 1 1 35 35 THR HA H 35 4.408 4.408 4.557 -0.149 25670 797 1 12 . 1 1 35 35 THR H H 35 7.830 7.830 7.651 0.179 25670 798 1 12 . 1 1 36 36 GLY H H 36 8.175 8.175 7.457 0.718 25670 799 1 12 . 1 1 37 37 GLY H H 37 8.322 8.322 8.362 -0.040 25670 800 1 12 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.515 -0.194 25670 801 1 12 . 1 1 39 39 ALA H H 39 8.130 8.130 8.078 0.052 25670 802 1 12 . 1 1 40 40 GLY H H 40 8.156 8.156 8.096 0.060 25670 803 1 12 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.655 0.005 25670 804 1 12 . 1 1 41 41 TRP H H 41 7.930 7.930 7.545 0.385 25670 805 1 13 . 1 1 2 2 TYR H H 2 8.594 8.594 8.649 -0.055 25670 806 1 13 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.305 0.228 25670 807 1 13 . 1 1 3 3 TYR H H 3 8.284 8.284 8.877 -0.593 25670 808 1 13 . 1 1 4 4 GLY H H 4 6.958 6.958 7.630 -0.672 25670 809 1 13 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.522 0.175 25670 810 1 13 . 1 1 5 5 ASN H H 5 8.348 8.348 8.241 0.107 25670 811 1 13 . 1 1 6 6 GLY H H 6 8.358 8.358 7.649 0.709 25670 812 1 13 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.283 0.142 25670 813 1 13 . 1 1 7 7 VAL H H 7 7.768 7.768 7.732 0.036 25670 814 1 13 . 1 1 8 8 SER HA H 8 4.929 4.929 4.736 0.193 25670 815 1 13 . 1 1 8 8 SER H H 8 8.548 8.548 8.482 0.066 25670 816 1 13 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.965 0.442 25670 817 1 13 . 1 1 9 9 CYS H H 9 8.600 8.600 8.531 0.069 25670 818 1 13 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.725 0.100 25670 819 1 13 . 1 1 10 10 ASN H H 10 8.897 8.897 8.944 -0.047 25670 820 1 13 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.586 -0.376 25670 821 1 13 . 1 1 11 11 LYS H H 11 8.172 8.172 8.173 -0.001 25670 822 1 13 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.120 0.224 25670 823 1 13 . 1 1 12 12 LYS H H 12 8.262 8.262 8.464 -0.202 25670 824 1 13 . 1 1 13 13 GLY H H 13 7.960 7.960 8.015 -0.055 25670 825 1 13 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.992 0.457 25670 826 1 13 . 1 1 14 14 CYS H H 14 8.296 8.296 8.312 -0.016 25670 827 1 13 . 1 1 15 15 SER HA H 15 4.628 4.628 4.458 0.170 25670 828 1 13 . 1 1 15 15 SER H H 15 8.853 8.853 8.775 0.078 25670 829 1 13 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.658 0.582 25670 830 1 13 . 1 1 16 16 VAL H H 16 7.987 7.987 7.777 0.210 25670 831 1 13 . 1 1 17 17 ASP H H 17 8.397 8.397 8.659 -0.262 25670 832 1 13 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.261 0.227 25670 833 1 13 . 1 1 18 18 TRP H H 18 8.013 8.013 7.971 0.042 25670 834 1 13 . 1 1 19 19 GLY H H 19 8.325 8.325 8.542 -0.217 25670 835 1 13 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.578 -0.315 25670 836 1 13 . 1 1 20 20 LYS H H 20 7.700 7.700 8.214 -0.514 25670 837 1 13 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.461 -0.251 25670 838 1 13 . 1 1 21 21 ALA H H 21 7.992 7.992 7.756 0.236 25670 839 1 13 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.990 0.037 25670 840 1 13 . 1 1 22 22 ILE H H 22 7.972 7.972 7.977 -0.005 25670 841 1 13 . 1 1 23 23 GLY H H 23 7.914 7.914 8.664 -0.750 25670 842 1 13 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.095 -0.030 25670 843 1 13 . 1 1 24 24 ILE H H 24 7.760 7.760 7.452 0.308 25670 844 1 13 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.859 0.136 25670 845 1 13 . 1 1 25 25 ILE H H 25 8.063 8.063 7.436 0.627 25670 846 1 13 . 1 1 26 26 GLY H H 26 8.361 8.361 8.514 -0.153 25670 847 1 13 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.401 0.276 25670 848 1 13 . 1 1 27 27 ASN H H 27 8.064 8.064 7.993 0.071 25670 849 1 13 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.463 0.166 25670 850 1 13 . 1 1 28 28 ASN H H 28 8.289 8.289 8.356 -0.067 25670 851 1 13 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.232 -0.017 25670 852 1 13 . 1 1 29 29 ALA H H 29 8.348 8.348 7.720 0.628 25670 853 1 13 . 1 1 30 30 ALA HA H 30 4.184 4.184 3.959 0.225 25670 854 1 13 . 1 1 30 30 ALA H H 30 8.080 8.080 7.787 0.293 25670 855 1 13 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.071 0.111 25670 856 1 13 . 1 1 31 31 ALA H H 31 7.967 7.967 7.948 0.019 25670 857 1 13 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.634 -0.027 25670 858 1 13 . 1 1 32 32 ASN H H 32 8.058 8.058 7.740 0.318 25670 859 1 13 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.165 0.157 25670 860 1 13 . 1 1 33 33 LEU H H 33 8.172 8.172 8.249 -0.077 25670 861 1 13 . 1 1 34 34 THR HA H 34 4.355 4.355 4.095 0.260 25670 862 1 13 . 1 1 34 34 THR H H 34 7.990 7.990 8.259 -0.269 25670 863 1 13 . 1 1 35 35 THR HA H 35 4.408 4.408 4.464 -0.056 25670 864 1 13 . 1 1 35 35 THR H H 35 7.830 7.830 7.390 0.440 25670 865 1 13 . 1 1 36 36 GLY H H 36 8.175 8.175 8.334 -0.159 25670 866 1 13 . 1 1 37 37 GLY H H 37 8.322 8.322 7.779 0.543 25670 867 1 13 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.721 -0.400 25670 868 1 13 . 1 1 39 39 ALA H H 39 8.130 8.130 8.324 -0.194 25670 869 1 13 . 1 1 40 40 GLY H H 40 8.156 8.156 8.462 -0.306 25670 870 1 13 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.582 0.078 25670 871 1 13 . 1 1 41 41 TRP H H 41 7.930 7.930 8.395 -0.465 25670 872 1 14 . 1 1 2 2 TYR H H 2 8.594 8.594 8.630 -0.036 25670 873 1 14 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.308 0.225 25670 874 1 14 . 1 1 3 3 TYR H H 3 8.284 8.284 9.050 -0.766 25670 875 1 14 . 1 1 4 4 GLY H H 4 6.958 6.958 7.712 -0.754 25670 876 1 14 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.722 -0.025 25670 877 1 14 . 1 1 5 5 ASN H H 5 8.348 8.348 8.155 0.193 25670 878 1 14 . 1 1 6 6 GLY H H 6 8.358 8.358 8.123 0.235 25670 879 1 14 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.088 0.337 25670 880 1 14 . 1 1 7 7 VAL H H 7 7.768 7.768 7.635 0.133 25670 881 1 14 . 1 1 8 8 SER HA H 8 4.929 4.929 4.872 0.057 25670 882 1 14 . 1 1 8 8 SER H H 8 8.548 8.548 8.408 0.140 25670 883 1 14 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.716 0.691 25670 884 1 14 . 1 1 9 9 CYS H H 9 8.600 8.600 8.604 -0.004 25670 885 1 14 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.683 0.142 25670 886 1 14 . 1 1 10 10 ASN H H 10 8.897 8.897 8.905 -0.008 25670 887 1 14 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.500 -0.290 25670 888 1 14 . 1 1 11 11 LYS H H 11 8.172 8.172 8.047 0.125 25670 889 1 14 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.119 0.225 25670 890 1 14 . 1 1 12 12 LYS H H 12 8.262 8.262 8.177 0.085 25670 891 1 14 . 1 1 13 13 GLY H H 13 7.960 7.960 7.754 0.206 25670 892 1 14 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.676 0.773 25670 893 1 14 . 1 1 14 14 CYS H H 14 8.296 8.296 8.515 -0.219 25670 894 1 14 . 1 1 15 15 SER HA H 15 4.628 4.628 4.420 0.208 25670 895 1 14 . 1 1 15 15 SER H H 15 8.853 8.853 8.757 0.096 25670 896 1 14 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.794 0.446 25670 897 1 14 . 1 1 16 16 VAL H H 16 7.987 7.987 7.679 0.308 25670 898 1 14 . 1 1 17 17 ASP H H 17 8.397 8.397 8.481 -0.084 25670 899 1 14 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.323 0.165 25670 900 1 14 . 1 1 18 18 TRP H H 18 8.013 8.013 7.613 0.400 25670 901 1 14 . 1 1 19 19 GLY H H 19 8.325 8.325 8.269 0.056 25670 902 1 14 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.464 -0.201 25670 903 1 14 . 1 1 20 20 LYS H H 20 7.700 7.700 7.909 -0.209 25670 904 1 14 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.500 -0.290 25670 905 1 14 . 1 1 21 21 ALA H H 21 7.992 7.992 8.074 -0.082 25670 906 1 14 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.913 0.114 25670 907 1 14 . 1 1 22 22 ILE H H 22 7.972 7.972 8.030 -0.058 25670 908 1 14 . 1 1 23 23 GLY H H 23 7.914 7.914 8.810 -0.896 25670 909 1 14 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.939 0.126 25670 910 1 14 . 1 1 24 24 ILE H H 24 7.760 7.760 7.561 0.199 25670 911 1 14 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.655 0.340 25670 912 1 14 . 1 1 25 25 ILE H H 25 8.063 8.063 7.423 0.640 25670 913 1 14 . 1 1 26 26 GLY H H 26 8.361 8.361 8.428 -0.067 25670 914 1 14 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.342 0.335 25670 915 1 14 . 1 1 27 27 ASN H H 27 8.064 8.064 7.709 0.355 25670 916 1 14 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.492 0.137 25670 917 1 14 . 1 1 28 28 ASN H H 28 8.289 8.289 8.094 0.195 25670 918 1 14 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.230 -0.015 25670 919 1 14 . 1 1 29 29 ALA H H 29 8.348 8.348 7.576 0.772 25670 920 1 14 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.048 0.136 25670 921 1 14 . 1 1 30 30 ALA H H 30 8.080 8.080 7.847 0.233 25670 922 1 14 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.008 0.174 25670 923 1 14 . 1 1 31 31 ALA H H 31 7.967 7.967 7.536 0.431 25670 924 1 14 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.696 -0.089 25670 925 1 14 . 1 1 32 32 ASN H H 32 8.058 8.058 7.948 0.110 25670 926 1 14 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.166 0.156 25670 927 1 14 . 1 1 33 33 LEU H H 33 8.172 8.172 7.497 0.675 25670 928 1 14 . 1 1 34 34 THR HA H 34 4.355 4.355 4.443 -0.088 25670 929 1 14 . 1 1 34 34 THR H H 34 7.990 7.990 7.590 0.400 25670 930 1 14 . 1 1 35 35 THR HA H 35 4.408 4.408 4.606 -0.198 25670 931 1 14 . 1 1 35 35 THR H H 35 7.830 7.830 7.651 0.179 25670 932 1 14 . 1 1 36 36 GLY H H 36 8.175 8.175 8.343 -0.168 25670 933 1 14 . 1 1 37 37 GLY H H 37 8.322 8.322 8.314 0.008 25670 934 1 14 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.735 -0.414 25670 935 1 14 . 1 1 39 39 ALA H H 39 8.130 8.130 7.992 0.138 25670 936 1 14 . 1 1 40 40 GLY H H 40 8.156 8.156 8.568 -0.412 25670 937 1 14 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.841 -0.181 25670 938 1 14 . 1 1 41 41 TRP H H 41 7.930 7.930 7.679 0.251 25670 939 1 15 . 1 1 2 2 TYR H H 2 8.594 8.594 8.591 0.003 25670 940 1 15 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.417 0.116 25670 941 1 15 . 1 1 3 3 TYR H H 3 8.284 8.284 8.583 -0.299 25670 942 1 15 . 1 1 4 4 GLY H H 4 6.958 6.958 7.542 -0.584 25670 943 1 15 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.625 0.072 25670 944 1 15 . 1 1 5 5 ASN H H 5 8.348 8.348 8.244 0.104 25670 945 1 15 . 1 1 6 6 GLY H H 6 8.358 8.358 7.795 0.563 25670 946 1 15 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.201 0.224 25670 947 1 15 . 1 1 7 7 VAL H H 7 7.768 7.768 7.808 -0.040 25670 948 1 15 . 1 1 8 8 SER HA H 8 4.929 4.929 4.776 0.153 25670 949 1 15 . 1 1 8 8 SER H H 8 8.548 8.548 8.511 0.037 25670 950 1 15 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.106 0.301 25670 951 1 15 . 1 1 9 9 CYS H H 9 8.600 8.600 8.693 -0.093 25670 952 1 15 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.761 0.064 25670 953 1 15 . 1 1 10 10 ASN H H 10 8.897 8.897 8.850 0.047 25670 954 1 15 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.540 -0.330 25670 955 1 15 . 1 1 11 11 LYS H H 11 8.172 8.172 8.142 0.030 25670 956 1 15 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.112 0.232 25670 957 1 15 . 1 1 12 12 LYS H H 12 8.262 8.262 8.097 0.165 25670 958 1 15 . 1 1 13 13 GLY H H 13 7.960 7.960 7.888 0.072 25670 959 1 15 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.265 0.184 25670 960 1 15 . 1 1 14 14 CYS H H 14 8.296 8.296 8.270 0.026 25670 961 1 15 . 1 1 15 15 SER HA H 15 4.628 4.628 4.443 0.185 25670 962 1 15 . 1 1 15 15 SER H H 15 8.853 8.853 8.815 0.038 25670 963 1 15 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.525 0.715 25670 964 1 15 . 1 1 16 16 VAL H H 16 7.987 7.987 7.649 0.338 25670 965 1 15 . 1 1 17 17 ASP H H 17 8.397 8.397 8.065 0.332 25670 966 1 15 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.515 -0.027 25670 967 1 15 . 1 1 18 18 TRP H H 18 8.013 8.013 8.059 -0.046 25670 968 1 15 . 1 1 19 19 GLY H H 19 8.325 8.325 8.400 -0.075 25670 969 1 15 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.414 -0.151 25670 970 1 15 . 1 1 20 20 LYS H H 20 7.700 7.700 8.246 -0.546 25670 971 1 15 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.091 0.119 25670 972 1 15 . 1 1 21 21 ALA H H 21 7.992 7.992 7.643 0.349 25670 973 1 15 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.858 0.169 25670 974 1 15 . 1 1 22 22 ILE H H 22 7.972 7.972 8.265 -0.293 25670 975 1 15 . 1 1 23 23 GLY H H 23 7.914 7.914 8.141 -0.227 25670 976 1 15 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.983 0.082 25670 977 1 15 . 1 1 24 24 ILE H H 24 7.760 7.760 7.596 0.164 25670 978 1 15 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.904 0.091 25670 979 1 15 . 1 1 25 25 ILE H H 25 8.063 8.063 7.800 0.263 25670 980 1 15 . 1 1 26 26 GLY H H 26 8.361 8.361 7.755 0.606 25670 981 1 15 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.561 0.116 25670 982 1 15 . 1 1 27 27 ASN H H 27 8.064 8.064 7.711 0.353 25670 983 1 15 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.507 0.122 25670 984 1 15 . 1 1 28 28 ASN H H 28 8.289 8.289 8.235 0.054 25670 985 1 15 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.310 -0.095 25670 986 1 15 . 1 1 29 29 ALA H H 29 8.348 8.348 7.657 0.691 25670 987 1 15 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.067 0.117 25670 988 1 15 . 1 1 30 30 ALA H H 30 8.080 8.080 7.756 0.324 25670 989 1 15 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.130 0.052 25670 990 1 15 . 1 1 31 31 ALA H H 31 7.967 7.967 7.713 0.254 25670 991 1 15 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.680 -0.073 25670 992 1 15 . 1 1 32 32 ASN H H 32 8.058 8.058 7.808 0.250 25670 993 1 15 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.162 0.160 25670 994 1 15 . 1 1 33 33 LEU H H 33 8.172 8.172 7.807 0.365 25670 995 1 15 . 1 1 34 34 THR HA H 34 4.355 4.355 4.041 0.314 25670 996 1 15 . 1 1 34 34 THR H H 34 7.990 7.990 8.142 -0.152 25670 997 1 15 . 1 1 35 35 THR HA H 35 4.408 4.408 4.546 -0.138 25670 998 1 15 . 1 1 35 35 THR H H 35 7.830 7.830 7.359 0.471 25670 999 1 15 . 1 1 36 36 GLY H H 36 8.175 8.175 7.741 0.434 25670 1000 1 15 . 1 1 37 37 GLY H H 37 8.322 8.322 7.952 0.370 25670 1001 1 15 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.566 -0.245 25670 1002 1 15 . 1 1 39 39 ALA H H 39 8.130 8.130 8.106 0.024 25670 1003 1 15 . 1 1 40 40 GLY H H 40 8.156 8.156 7.798 0.358 25670 1004 1 15 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.578 0.082 25670 1005 1 15 . 1 1 41 41 TRP H H 41 7.930 7.930 7.088 0.842 25670 1006 1 16 . 1 1 2 2 TYR H H 2 8.594 8.594 8.708 -0.114 25670 1007 1 16 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.198 0.335 25670 1008 1 16 . 1 1 3 3 TYR H H 3 8.284 8.284 8.762 -0.478 25670 1009 1 16 . 1 1 4 4 GLY H H 4 6.958 6.958 7.712 -0.754 25670 1010 1 16 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.748 -0.051 25670 1011 1 16 . 1 1 5 5 ASN H H 5 8.348 8.348 7.974 0.374 25670 1012 1 16 . 1 1 6 6 GLY H H 6 8.358 8.358 8.000 0.358 25670 1013 1 16 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.147 0.278 25670 1014 1 16 . 1 1 7 7 VAL H H 7 7.768 7.768 7.850 -0.082 25670 1015 1 16 . 1 1 8 8 SER HA H 8 4.929 4.929 4.629 0.300 25670 1016 1 16 . 1 1 8 8 SER H H 8 8.548 8.548 8.168 0.380 25670 1017 1 16 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.334 0.073 25670 1018 1 16 . 1 1 9 9 CYS H H 9 8.600 8.600 8.943 -0.343 25670 1019 1 16 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.808 0.017 25670 1020 1 16 . 1 1 10 10 ASN H H 10 8.897 8.897 9.143 -0.246 25670 1021 1 16 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.366 -0.156 25670 1022 1 16 . 1 1 11 11 LYS H H 11 8.172 8.172 8.045 0.127 25670 1023 1 16 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.159 0.185 25670 1024 1 16 . 1 1 12 12 LYS H H 12 8.262 8.262 8.196 0.066 25670 1025 1 16 . 1 1 13 13 GLY H H 13 7.960 7.960 7.812 0.148 25670 1026 1 16 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.703 -0.254 25670 1027 1 16 . 1 1 14 14 CYS H H 14 8.296 8.296 8.357 -0.061 25670 1028 1 16 . 1 1 15 15 SER HA H 15 4.628 4.628 4.401 0.227 25670 1029 1 16 . 1 1 15 15 SER H H 15 8.853 8.853 8.733 0.120 25670 1030 1 16 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.649 0.591 25670 1031 1 16 . 1 1 16 16 VAL H H 16 7.987 7.987 7.501 0.486 25670 1032 1 16 . 1 1 17 17 ASP H H 17 8.397 8.397 8.260 0.137 25670 1033 1 16 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.553 -0.065 25670 1034 1 16 . 1 1 18 18 TRP H H 18 8.013 8.013 8.057 -0.044 25670 1035 1 16 . 1 1 19 19 GLY H H 19 8.325 8.325 8.516 -0.191 25670 1036 1 16 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.531 -0.268 25670 1037 1 16 . 1 1 20 20 LYS H H 20 7.700 7.700 7.967 -0.267 25670 1038 1 16 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.517 -0.307 25670 1039 1 16 . 1 1 21 21 ALA H H 21 7.992 7.992 8.023 -0.031 25670 1040 1 16 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.899 0.128 25670 1041 1 16 . 1 1 22 22 ILE H H 22 7.972 7.972 7.947 0.025 25670 1042 1 16 . 1 1 23 23 GLY H H 23 7.914 7.914 8.896 -0.982 25670 1043 1 16 . 1 1 24 24 ILE HA H 24 4.065 4.065 3.853 0.212 25670 1044 1 16 . 1 1 24 24 ILE H H 24 7.760 7.760 7.576 0.184 25670 1045 1 16 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.780 0.215 25670 1046 1 16 . 1 1 25 25 ILE H H 25 8.063 8.063 7.551 0.512 25670 1047 1 16 . 1 1 26 26 GLY H H 26 8.361 8.361 8.082 0.279 25670 1048 1 16 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.482 0.195 25670 1049 1 16 . 1 1 27 27 ASN H H 27 8.064 8.064 7.594 0.470 25670 1050 1 16 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.455 0.174 25670 1051 1 16 . 1 1 28 28 ASN H H 28 8.289 8.289 8.376 -0.087 25670 1052 1 16 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.215 0.000 25670 1053 1 16 . 1 1 29 29 ALA H H 29 8.348 8.348 7.588 0.760 25670 1054 1 16 . 1 1 30 30 ALA HA H 30 4.184 4.184 3.999 0.185 25670 1055 1 16 . 1 1 30 30 ALA H H 30 8.080 8.080 7.716 0.364 25670 1056 1 16 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.994 0.188 25670 1057 1 16 . 1 1 31 31 ALA H H 31 7.967 7.967 7.737 0.230 25670 1058 1 16 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.600 0.007 25670 1059 1 16 . 1 1 32 32 ASN H H 32 8.058 8.058 8.052 0.006 25670 1060 1 16 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.226 0.096 25670 1061 1 16 . 1 1 33 33 LEU H H 33 8.172 8.172 7.289 0.883 25670 1062 1 16 . 1 1 34 34 THR HA H 34 4.355 4.355 4.436 -0.081 25670 1063 1 16 . 1 1 34 34 THR H H 34 7.990 7.990 7.773 0.217 25670 1064 1 16 . 1 1 35 35 THR HA H 35 4.408 4.408 4.139 0.269 25670 1065 1 16 . 1 1 35 35 THR H H 35 7.830 7.830 7.696 0.134 25670 1066 1 16 . 1 1 36 36 GLY H H 36 8.175 8.175 8.648 -0.473 25670 1067 1 16 . 1 1 37 37 GLY H H 37 8.322 8.322 8.255 0.067 25670 1068 1 16 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.614 -0.293 25670 1069 1 16 . 1 1 39 39 ALA H H 39 8.130 8.130 7.760 0.370 25670 1070 1 16 . 1 1 40 40 GLY H H 40 8.156 8.156 9.356 -1.200 25670 1071 1 16 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.907 -0.247 25670 1072 1 16 . 1 1 41 41 TRP H H 41 7.930 7.930 7.845 0.085 25670 1073 1 17 . 1 1 2 2 TYR H H 2 8.594 8.594 8.621 -0.027 25670 1074 1 17 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.304 0.229 25670 1075 1 17 . 1 1 3 3 TYR H H 3 8.284 8.284 8.112 0.172 25670 1076 1 17 . 1 1 4 4 GLY H H 4 6.958 6.958 7.532 -0.574 25670 1077 1 17 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.807 -0.110 25670 1078 1 17 . 1 1 5 5 ASN H H 5 8.348 8.348 8.168 0.180 25670 1079 1 17 . 1 1 6 6 GLY H H 6 8.358 8.358 7.997 0.361 25670 1080 1 17 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.073 0.352 25670 1081 1 17 . 1 1 7 7 VAL H H 7 7.768 7.768 7.627 0.141 25670 1082 1 17 . 1 1 8 8 SER HA H 8 4.929 4.929 4.644 0.285 25670 1083 1 17 . 1 1 8 8 SER H H 8 8.548 8.548 8.431 0.117 25670 1084 1 17 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.762 0.645 25670 1085 1 17 . 1 1 9 9 CYS H H 9 8.600 8.600 8.831 -0.231 25670 1086 1 17 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.793 0.032 25670 1087 1 17 . 1 1 10 10 ASN H H 10 8.897 8.897 8.750 0.147 25670 1088 1 17 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.465 -0.255 25670 1089 1 17 . 1 1 11 11 LYS H H 11 8.172 8.172 7.808 0.364 25670 1090 1 17 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.112 0.232 25670 1091 1 17 . 1 1 12 12 LYS H H 12 8.262 8.262 8.350 -0.088 25670 1092 1 17 . 1 1 13 13 GLY H H 13 7.960 7.960 7.943 0.017 25670 1093 1 17 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.867 0.582 25670 1094 1 17 . 1 1 14 14 CYS H H 14 8.296 8.296 8.254 0.042 25670 1095 1 17 . 1 1 15 15 SER HA H 15 4.628 4.628 4.553 0.075 25670 1096 1 17 . 1 1 15 15 SER H H 15 8.853 8.853 8.643 0.210 25670 1097 1 17 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.600 0.640 25670 1098 1 17 . 1 1 16 16 VAL H H 16 7.987 7.987 7.580 0.407 25670 1099 1 17 . 1 1 17 17 ASP H H 17 8.397 8.397 8.279 0.118 25670 1100 1 17 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.315 0.173 25670 1101 1 17 . 1 1 18 18 TRP H H 18 8.013 8.013 7.765 0.248 25670 1102 1 17 . 1 1 19 19 GLY H H 19 8.325 8.325 8.116 0.209 25670 1103 1 17 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.751 -0.488 25670 1104 1 17 . 1 1 20 20 LYS H H 20 7.700 7.700 7.825 -0.125 25670 1105 1 17 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.493 -0.283 25670 1106 1 17 . 1 1 21 21 ALA H H 21 7.992 7.992 7.851 0.141 25670 1107 1 17 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.978 0.049 25670 1108 1 17 . 1 1 22 22 ILE H H 22 7.972 7.972 8.235 -0.263 25670 1109 1 17 . 1 1 23 23 GLY H H 23 7.914 7.914 8.510 -0.596 25670 1110 1 17 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.259 -0.194 25670 1111 1 17 . 1 1 24 24 ILE H H 24 7.760 7.760 7.129 0.631 25670 1112 1 17 . 1 1 25 25 ILE HA H 25 3.995 3.995 4.111 -0.116 25670 1113 1 17 . 1 1 25 25 ILE H H 25 8.063 8.063 7.633 0.430 25670 1114 1 17 . 1 1 26 26 GLY H H 26 8.361 8.361 8.360 0.001 25670 1115 1 17 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.391 0.286 25670 1116 1 17 . 1 1 27 27 ASN H H 27 8.064 8.064 8.137 -0.073 25670 1117 1 17 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.417 0.212 25670 1118 1 17 . 1 1 28 28 ASN H H 28 8.289 8.289 8.438 -0.149 25670 1119 1 17 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.536 -0.321 25670 1120 1 17 . 1 1 29 29 ALA H H 29 8.348 8.348 7.680 0.668 25670 1121 1 17 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.084 0.100 25670 1122 1 17 . 1 1 30 30 ALA H H 30 8.080 8.080 7.485 0.595 25670 1123 1 17 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.082 0.100 25670 1124 1 17 . 1 1 31 31 ALA H H 31 7.967 7.967 7.816 0.151 25670 1125 1 17 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.701 -0.094 25670 1126 1 17 . 1 1 32 32 ASN H H 32 8.058 8.058 7.573 0.485 25670 1127 1 17 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.038 0.284 25670 1128 1 17 . 1 1 33 33 LEU H H 33 8.172 8.172 8.674 -0.502 25670 1129 1 17 . 1 1 34 34 THR HA H 34 4.355 4.355 4.256 0.099 25670 1130 1 17 . 1 1 34 34 THR H H 34 7.990 7.990 7.632 0.358 25670 1131 1 17 . 1 1 35 35 THR HA H 35 4.408 4.408 4.106 0.302 25670 1132 1 17 . 1 1 35 35 THR H H 35 7.830 7.830 7.152 0.678 25670 1133 1 17 . 1 1 36 36 GLY H H 36 8.175 8.175 7.776 0.399 25670 1134 1 17 . 1 1 37 37 GLY H H 37 8.322 8.322 8.567 -0.245 25670 1135 1 17 . 1 1 39 39 ALA HA H 39 4.321 4.321 3.992 0.329 25670 1136 1 17 . 1 1 39 39 ALA H H 39 8.130 8.130 8.106 0.024 25670 1137 1 17 . 1 1 40 40 GLY H H 40 8.156 8.156 8.298 -0.142 25670 1138 1 17 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.394 0.266 25670 1139 1 17 . 1 1 41 41 TRP H H 41 7.930 7.930 6.961 0.969 25670 1140 1 18 . 1 1 2 2 TYR H H 2 8.594 8.594 8.646 -0.052 25670 1141 1 18 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.611 -0.078 25670 1142 1 18 . 1 1 3 3 TYR H H 3 8.284 8.284 8.323 -0.039 25670 1143 1 18 . 1 1 4 4 GLY H H 4 6.958 6.958 7.929 -0.971 25670 1144 1 18 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.542 0.155 25670 1145 1 18 . 1 1 5 5 ASN H H 5 8.348 8.348 8.390 -0.042 25670 1146 1 18 . 1 1 6 6 GLY H H 6 8.358 8.358 7.806 0.552 25670 1147 1 18 . 1 1 7 7 VAL HA H 7 4.425 4.425 3.935 0.490 25670 1148 1 18 . 1 1 7 7 VAL H H 7 7.768 7.768 8.360 -0.592 25670 1149 1 18 . 1 1 8 8 SER HA H 8 4.929 4.929 5.335 -0.406 25670 1150 1 18 . 1 1 8 8 SER H H 8 8.548 8.548 8.004 0.544 25670 1151 1 18 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.885 0.522 25670 1152 1 18 . 1 1 9 9 CYS H H 9 8.600 8.600 9.004 -0.404 25670 1153 1 18 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.713 0.112 25670 1154 1 18 . 1 1 10 10 ASN H H 10 8.897 8.897 9.108 -0.211 25670 1155 1 18 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.487 -0.277 25670 1156 1 18 . 1 1 11 11 LYS H H 11 8.172 8.172 8.250 -0.078 25670 1157 1 18 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.476 -0.132 25670 1158 1 18 . 1 1 12 12 LYS H H 12 8.262 8.262 8.132 0.130 25670 1159 1 18 . 1 1 13 13 GLY H H 13 7.960 7.960 8.154 -0.194 25670 1160 1 18 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.161 0.288 25670 1161 1 18 . 1 1 14 14 CYS H H 14 8.296 8.296 8.288 0.008 25670 1162 1 18 . 1 1 15 15 SER HA H 15 4.628 4.628 3.940 0.688 25670 1163 1 18 . 1 1 15 15 SER H H 15 8.853 8.853 8.782 0.071 25670 1164 1 18 . 1 1 16 16 VAL HA H 16 4.240 4.240 4.056 0.184 25670 1165 1 18 . 1 1 16 16 VAL H H 16 7.987 7.987 7.189 0.798 25670 1166 1 18 . 1 1 17 17 ASP H H 17 8.397 8.397 8.553 -0.156 25670 1167 1 18 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.408 0.080 25670 1168 1 18 . 1 1 18 18 TRP H H 18 8.013 8.013 7.935 0.078 25670 1169 1 18 . 1 1 19 19 GLY H H 19 8.325 8.325 8.091 0.234 25670 1170 1 18 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.422 -0.159 25670 1171 1 18 . 1 1 20 20 LYS H H 20 7.700 7.700 7.886 -0.186 25670 1172 1 18 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.068 0.142 25670 1173 1 18 . 1 1 21 21 ALA H H 21 7.992 7.992 8.413 -0.421 25670 1174 1 18 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.900 0.127 25670 1175 1 18 . 1 1 22 22 ILE H H 22 7.972 7.972 8.462 -0.490 25670 1176 1 18 . 1 1 23 23 GLY H H 23 7.914 7.914 7.957 -0.043 25670 1177 1 18 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.049 0.016 25670 1178 1 18 . 1 1 24 24 ILE H H 24 7.760 7.760 7.386 0.374 25670 1179 1 18 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.751 0.244 25670 1180 1 18 . 1 1 25 25 ILE H H 25 8.063 8.063 8.780 -0.717 25670 1181 1 18 . 1 1 26 26 GLY H H 26 8.361 8.361 8.470 -0.109 25670 1182 1 18 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.674 0.003 25670 1183 1 18 . 1 1 27 27 ASN H H 27 8.064 8.064 7.813 0.251 25670 1184 1 18 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.528 0.101 25670 1185 1 18 . 1 1 28 28 ASN H H 28 8.289 8.289 7.862 0.427 25670 1186 1 18 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.318 -0.103 25670 1187 1 18 . 1 1 29 29 ALA H H 29 8.348 8.348 7.753 0.595 25670 1188 1 18 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.010 0.174 25670 1189 1 18 . 1 1 30 30 ALA H H 30 8.080 8.080 7.702 0.378 25670 1190 1 18 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.986 0.196 25670 1191 1 18 . 1 1 31 31 ALA H H 31 7.967 7.967 7.886 0.081 25670 1192 1 18 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.730 -0.123 25670 1193 1 18 . 1 1 32 32 ASN H H 32 8.058 8.058 7.898 0.160 25670 1194 1 18 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.312 0.010 25670 1195 1 18 . 1 1 33 33 LEU H H 33 8.172 8.172 7.482 0.690 25670 1196 1 18 . 1 1 34 34 THR HA H 34 4.355 4.355 4.135 0.220 25670 1197 1 18 . 1 1 34 34 THR H H 34 7.990 7.990 8.718 -0.728 25670 1198 1 18 . 1 1 35 35 THR HA H 35 4.408 4.408 4.267 0.141 25670 1199 1 18 . 1 1 35 35 THR H H 35 7.830 7.830 7.503 0.327 25670 1200 1 18 . 1 1 36 36 GLY H H 36 8.175 8.175 7.594 0.581 25670 1201 1 18 . 1 1 37 37 GLY H H 37 8.322 8.322 8.190 0.132 25670 1202 1 18 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.465 -0.144 25670 1203 1 18 . 1 1 39 39 ALA H H 39 8.130 8.130 8.373 -0.243 25670 1204 1 18 . 1 1 40 40 GLY H H 40 8.156 8.156 8.668 -0.512 25670 1205 1 18 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.965 -0.305 25670 1206 1 18 . 1 1 41 41 TRP H H 41 7.930 7.930 7.713 0.217 25670 1207 1 19 . 1 1 2 2 TYR H H 2 8.594 8.594 8.320 0.274 25670 1208 1 19 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.411 0.122 25670 1209 1 19 . 1 1 3 3 TYR H H 3 8.284 8.284 7.860 0.424 25670 1210 1 19 . 1 1 4 4 GLY H H 4 6.958 6.958 7.424 -0.466 25670 1211 1 19 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.701 -0.004 25670 1212 1 19 . 1 1 5 5 ASN H H 5 8.348 8.348 7.910 0.438 25670 1213 1 19 . 1 1 6 6 GLY H H 6 8.358 8.358 8.153 0.205 25670 1214 1 19 . 1 1 7 7 VAL HA H 7 4.425 4.425 3.994 0.431 25670 1215 1 19 . 1 1 7 7 VAL H H 7 7.768 7.768 7.847 -0.079 25670 1216 1 19 . 1 1 8 8 SER HA H 8 4.929 4.929 4.545 0.384 25670 1217 1 19 . 1 1 8 8 SER H H 8 8.548 8.548 8.133 0.415 25670 1218 1 19 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.319 0.088 25670 1219 1 19 . 1 1 9 9 CYS H H 9 8.600 8.600 8.523 0.077 25670 1220 1 19 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.810 0.015 25670 1221 1 19 . 1 1 10 10 ASN H H 10 8.897 8.897 8.961 -0.064 25670 1222 1 19 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.399 -0.189 25670 1223 1 19 . 1 1 11 11 LYS H H 11 8.172 8.172 7.984 0.188 25670 1224 1 19 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.187 0.157 25670 1225 1 19 . 1 1 12 12 LYS H H 12 8.262 8.262 8.209 0.053 25670 1226 1 19 . 1 1 13 13 GLY H H 13 7.960 7.960 7.835 0.125 25670 1227 1 19 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.566 -0.117 25670 1228 1 19 . 1 1 14 14 CYS H H 14 8.296 8.296 8.361 -0.065 25670 1229 1 19 . 1 1 15 15 SER HA H 15 4.628 4.628 4.473 0.155 25670 1230 1 19 . 1 1 15 15 SER H H 15 8.853 8.853 8.712 0.141 25670 1231 1 19 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.697 0.543 25670 1232 1 19 . 1 1 16 16 VAL H H 16 7.987 7.987 7.386 0.601 25670 1233 1 19 . 1 1 17 17 ASP H H 17 8.397 8.397 8.413 -0.016 25670 1234 1 19 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.578 -0.090 25670 1235 1 19 . 1 1 18 18 TRP H H 18 8.013 8.013 8.210 -0.197 25670 1236 1 19 . 1 1 19 19 GLY H H 19 8.325 8.325 8.418 -0.093 25670 1237 1 19 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.614 -0.351 25670 1238 1 19 . 1 1 20 20 LYS H H 20 7.700 7.700 7.792 -0.092 25670 1239 1 19 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.239 -0.029 25670 1240 1 19 . 1 1 21 21 ALA H H 21 7.992 7.992 8.126 -0.134 25670 1241 1 19 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.874 0.153 25670 1242 1 19 . 1 1 22 22 ILE H H 22 7.972 7.972 8.293 -0.321 25670 1243 1 19 . 1 1 23 23 GLY H H 23 7.914 7.914 7.703 0.211 25670 1244 1 19 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.348 -0.283 25670 1245 1 19 . 1 1 24 24 ILE H H 24 7.760 7.760 7.710 0.050 25670 1246 1 19 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.785 0.210 25670 1247 1 19 . 1 1 25 25 ILE H H 25 8.063 8.063 8.103 -0.040 25670 1248 1 19 . 1 1 26 26 GLY H H 26 8.361 8.361 8.772 -0.411 25670 1249 1 19 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.780 -0.103 25670 1250 1 19 . 1 1 27 27 ASN H H 27 8.064 8.064 7.904 0.160 25670 1251 1 19 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.438 0.191 25670 1252 1 19 . 1 1 28 28 ASN H H 28 8.289 8.289 7.899 0.390 25670 1253 1 19 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.110 0.105 25670 1254 1 19 . 1 1 29 29 ALA H H 29 8.348 8.348 8.137 0.211 25670 1255 1 19 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.061 0.123 25670 1256 1 19 . 1 1 30 30 ALA H H 30 8.080 8.080 7.726 0.354 25670 1257 1 19 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.965 0.217 25670 1258 1 19 . 1 1 31 31 ALA H H 31 7.967 7.967 7.827 0.140 25670 1259 1 19 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.542 0.065 25670 1260 1 19 . 1 1 32 32 ASN H H 32 8.058 8.058 7.523 0.535 25670 1261 1 19 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.024 0.298 25670 1262 1 19 . 1 1 33 33 LEU H H 33 8.172 8.172 7.514 0.658 25670 1263 1 19 . 1 1 34 34 THR HA H 34 4.355 4.355 4.326 0.029 25670 1264 1 19 . 1 1 34 34 THR H H 34 7.990 7.990 7.607 0.383 25670 1265 1 19 . 1 1 35 35 THR HA H 35 4.408 4.408 4.020 0.388 25670 1266 1 19 . 1 1 35 35 THR H H 35 7.830 7.830 7.957 -0.127 25670 1267 1 19 . 1 1 36 36 GLY H H 36 8.175 8.175 8.052 0.123 25670 1268 1 19 . 1 1 37 37 GLY H H 37 8.322 8.322 8.550 -0.228 25670 1269 1 19 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.579 -0.258 25670 1270 1 19 . 1 1 39 39 ALA H H 39 8.130 8.130 8.170 -0.040 25670 1271 1 19 . 1 1 40 40 GLY H H 40 8.156 8.156 8.216 -0.060 25670 1272 1 19 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.178 0.482 25670 1273 1 19 . 1 1 41 41 TRP H H 41 7.930 7.930 8.457 -0.527 25670 1274 1 20 . 1 1 2 2 TYR H H 2 8.594 8.594 8.608 -0.014 25670 1275 1 20 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.316 0.217 25670 1276 1 20 . 1 1 3 3 TYR H H 3 8.284 8.284 8.775 -0.491 25670 1277 1 20 . 1 1 4 4 GLY H H 4 6.958 6.958 7.830 -0.872 25670 1278 1 20 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.526 0.171 25670 1279 1 20 . 1 1 5 5 ASN H H 5 8.348 8.348 8.353 -0.005 25670 1280 1 20 . 1 1 6 6 GLY H H 6 8.358 8.358 7.807 0.551 25670 1281 1 20 . 1 1 7 7 VAL HA H 7 4.425 4.425 3.842 0.583 25670 1282 1 20 . 1 1 7 7 VAL H H 7 7.768 7.768 7.782 -0.014 25670 1283 1 20 . 1 1 8 8 SER HA H 8 4.929 4.929 4.895 0.034 25670 1284 1 20 . 1 1 8 8 SER H H 8 8.548 8.548 8.204 0.344 25670 1285 1 20 . 1 1 9 9 CYS HA H 9 5.407 5.407 5.164 0.243 25670 1286 1 20 . 1 1 9 9 CYS H H 9 8.600 8.600 8.768 -0.168 25670 1287 1 20 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.653 0.172 25670 1288 1 20 . 1 1 10 10 ASN H H 10 8.897 8.897 9.081 -0.184 25670 1289 1 20 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.571 -0.361 25670 1290 1 20 . 1 1 11 11 LYS H H 11 8.172 8.172 7.951 0.221 25670 1291 1 20 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.429 -0.085 25670 1292 1 20 . 1 1 12 12 LYS H H 12 8.262 8.262 7.987 0.276 25670 1293 1 20 . 1 1 13 13 GLY H H 13 7.960 7.960 7.868 0.092 25670 1294 1 20 . 1 1 14 14 CYS HA H 14 5.449 5.449 4.707 0.742 25670 1295 1 20 . 1 1 14 14 CYS H H 14 8.296 8.296 8.573 -0.277 25670 1296 1 20 . 1 1 15 15 SER HA H 15 4.628 4.628 3.929 0.699 25670 1297 1 20 . 1 1 15 15 SER H H 15 8.853 8.853 8.823 0.030 25670 1298 1 20 . 1 1 16 16 VAL HA H 16 4.240 4.240 4.029 0.211 25670 1299 1 20 . 1 1 16 16 VAL H H 16 7.987 7.987 7.260 0.727 25670 1300 1 20 . 1 1 17 17 ASP H H 17 8.397 8.397 8.421 -0.024 25670 1301 1 20 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.512 -0.024 25670 1302 1 20 . 1 1 18 18 TRP H H 18 8.013 8.013 8.212 -0.199 25670 1303 1 20 . 1 1 19 19 GLY H H 19 8.325 8.325 8.610 -0.285 25670 1304 1 20 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.297 -0.034 25670 1305 1 20 . 1 1 20 20 LYS H H 20 7.700 7.700 7.959 -0.259 25670 1306 1 20 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.223 -0.013 25670 1307 1 20 . 1 1 21 21 ALA H H 21 7.992 7.992 8.102 -0.110 25670 1308 1 20 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.981 0.046 25670 1309 1 20 . 1 1 22 22 ILE H H 22 7.972 7.972 7.828 0.144 25670 1310 1 20 . 1 1 23 23 GLY H H 23 7.914 7.914 8.748 -0.834 25670 1311 1 20 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.471 -0.406 25670 1312 1 20 . 1 1 24 24 ILE H H 24 7.760 7.760 7.326 0.434 25670 1313 1 20 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.782 0.213 25670 1314 1 20 . 1 1 25 25 ILE H H 25 8.063 8.063 7.753 0.310 25670 1315 1 20 . 1 1 26 26 GLY H H 26 8.361 8.361 8.682 -0.321 25670 1316 1 20 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.360 0.317 25670 1317 1 20 . 1 1 27 27 ASN H H 27 8.064 8.064 8.064 -0.000 25670 1318 1 20 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.430 0.199 25670 1319 1 20 . 1 1 28 28 ASN H H 28 8.289 8.289 8.354 -0.065 25670 1320 1 20 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.220 -0.005 25670 1321 1 20 . 1 1 29 29 ALA H H 29 8.348 8.348 7.603 0.745 25670 1322 1 20 . 1 1 30 30 ALA HA H 30 4.184 4.184 3.970 0.214 25670 1323 1 20 . 1 1 30 30 ALA H H 30 8.080 8.080 7.889 0.191 25670 1324 1 20 . 1 1 31 31 ALA HA H 31 4.182 4.182 3.952 0.230 25670 1325 1 20 . 1 1 31 31 ALA H H 31 7.967 7.967 7.792 0.175 25670 1326 1 20 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.624 -0.017 25670 1327 1 20 . 1 1 32 32 ASN H H 32 8.058 8.058 7.971 0.087 25670 1328 1 20 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.164 0.158 25670 1329 1 20 . 1 1 33 33 LEU H H 33 8.172 8.172 7.739 0.433 25670 1330 1 20 . 1 1 34 34 THR HA H 34 4.355 4.355 4.370 -0.015 25670 1331 1 20 . 1 1 34 34 THR H H 34 7.990 7.990 7.810 0.180 25670 1332 1 20 . 1 1 35 35 THR HA H 35 4.408 4.408 4.297 0.111 25670 1333 1 20 . 1 1 35 35 THR H H 35 7.830 7.830 7.555 0.275 25670 1334 1 20 . 1 1 36 36 GLY H H 36 8.175 8.175 8.149 0.026 25670 1335 1 20 . 1 1 37 37 GLY H H 37 8.322 8.322 7.755 0.567 25670 1336 1 20 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.661 -0.340 25670 1337 1 20 . 1 1 39 39 ALA H H 39 8.130 8.130 7.882 0.248 25670 1338 1 20 . 1 1 40 40 GLY H H 40 8.156 8.156 8.686 -0.530 25670 1339 1 20 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.577 0.083 25670 1340 1 20 . 1 1 41 41 TRP H H 41 7.930 7.930 8.659 -0.729 25670 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 25670 2 1 1 "Average Difference" HA 46 0.282 -0.120 0.258 25670 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25670 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25670 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25670 6 1 1 "Average Difference" HN 39 0.351 -0.110 0.338 25670 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25670 8 1 2 "Average Difference" HA 46 0.271 -0.039 0.271 25670 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25670 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25670 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25670 12 1 2 "Average Difference" HN 39 0.312 -0.060 0.311 25670 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25670 14 1 3 "Average Difference" HA 46 0.285 -0.076 0.278 25670 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25670 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25670 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25670 18 1 3 "Average Difference" HN 39 0.289 -0.018 0.292 25670 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25670 20 1 4 "Average Difference" HA 46 0.229 -0.055 0.225 25670 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25670 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25670 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25670 24 1 4 "Average Difference" HN 39 0.379 -0.036 0.382 25670 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25670 26 1 5 "Average Difference" HA 46 0.291 -0.036 0.292 25670 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25670 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25670 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25670 30 1 5 "Average Difference" HN 39 0.332 0.012 0.336 25670 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25670 32 1 6 "Average Difference" HA 46 0.344 -0.134 0.320 25670 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25670 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25670 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25670 36 1 6 "Average Difference" HN 39 0.376 -0.108 0.365 25670 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25670 38 1 7 "Average Difference" HA 46 0.314 -0.099 0.302 25670 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25670 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25670 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25670 42 1 7 "Average Difference" HN 39 0.373 -0.035 0.376 25670 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25670 44 1 8 "Average Difference" HA 46 0.297 -0.055 0.295 25670 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25670 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25670 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25670 48 1 8 "Average Difference" HN 39 0.343 0.039 0.346 25670 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25670 50 1 9 "Average Difference" HA 46 0.341 -0.108 0.326 25670 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25670 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25670 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25670 54 1 9 "Average Difference" HN 39 0.373 -0.113 0.360 25670 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25670 56 1 10 "Average Difference" HA 46 0.300 -0.094 0.288 25670 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25670 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25670 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25670 60 1 10 "Average Difference" HN 39 0.385 0.015 0.390 25670 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25670 62 1 11 "Average Difference" HA 46 0.289 -0.066 0.284 25670 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25670 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25670 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25670 66 1 11 "Average Difference" HN 39 0.382 -0.113 0.370 25670 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25670 68 1 12 "Average Difference" HA 46 0.273 -0.069 0.267 25670 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25670 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25670 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25670 72 1 12 "Average Difference" HN 39 0.378 -0.107 0.367 25670 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25670 74 1 13 "Average Difference" HA 46 0.289 -0.081 0.280 25670 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25670 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25670 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25670 78 1 13 "Average Difference" HN 39 0.339 0.007 0.343 25670 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25670 80 1 14 "Average Difference" HA 46 0.305 -0.119 0.284 25670 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25670 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25670 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25670 84 1 14 "Average Difference" HN 39 0.355 -0.072 0.353 25670 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25670 86 1 15 "Average Difference" HA 46 0.230 -0.079 0.218 25670 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25670 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25670 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25670 90 1 15 "Average Difference" HN 39 0.337 -0.143 0.310 25670 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25670 92 1 16 "Average Difference" HA 46 0.279 -0.106 0.261 25670 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25670 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25670 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25670 96 1 16 "Average Difference" HN 39 0.418 -0.037 0.422 25670 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25670 98 1 17 "Average Difference" HA 46 0.308 -0.130 0.282 25670 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25670 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25670 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25670 102 1 17 "Average Difference" HN 39 0.367 -0.135 0.346 25670 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25670 104 1 18 "Average Difference" HA 46 0.259 -0.036 0.259 25670 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25670 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25670 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25670 108 1 18 "Average Difference" HN 39 0.412 -0.011 0.417 25670 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25670 110 1 19 "Average Difference" HA 46 0.262 -0.066 0.256 25670 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25670 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25670 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25670 114 1 19 "Average Difference" HN 39 0.292 -0.082 0.284 25670 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25670 116 1 20 "Average Difference" HA 46 0.269 -0.100 0.253 25670 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25670 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25670 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25670 120 1 20 "Average Difference" HN 39 0.381 -0.017 0.385 25670 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 25670 _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 TYR H H 2 8.594 8.594 8.598 -0.004 25670 2 1 . 1 1 3 3 TYR HA H 3 4.533 4.533 4.305 0.229 25670 3 1 . 1 1 3 3 TYR H H 3 8.284 8.284 8.710 -0.426 25670 4 1 . 1 1 4 4 GLY H H 4 6.958 6.958 7.750 -0.792 25670 5 1 . 1 1 5 5 ASN HA H 5 4.697 4.697 4.646 0.051 25670 6 1 . 1 1 5 5 ASN H H 5 8.348 8.348 8.159 0.189 25670 7 1 . 1 1 6 6 GLY H H 6 8.358 8.358 7.905 0.453 25670 8 1 . 1 1 7 7 VAL HA H 7 4.425 4.425 4.154 0.271 25670 9 1 . 1 1 7 7 VAL H H 7 7.768 7.768 7.832 -0.064 25670 10 1 . 1 1 8 8 SER HA H 8 4.929 4.929 4.715 0.214 25670 11 1 . 1 1 8 8 SER H H 8 8.548 8.548 8.297 0.251 25670 12 1 . 1 1 9 9 CYS HA H 9 5.407 5.407 4.989 0.418 25670 13 1 . 1 1 9 9 CYS H H 9 8.600 8.600 8.697 -0.097 25670 14 1 . 1 1 10 10 ASN HA H 10 4.825 4.825 4.764 0.061 25670 15 1 . 1 1 10 10 ASN H H 10 8.897 8.897 8.936 -0.039 25670 16 1 . 1 1 11 11 LYS HA H 11 4.210 4.210 4.472 -0.262 25670 17 1 . 1 1 11 11 LYS H H 11 8.172 8.172 8.082 0.090 25670 18 1 . 1 1 12 12 LYS HA H 12 4.344 4.344 4.248 0.096 25670 19 1 . 1 1 12 12 LYS H H 12 8.262 8.262 8.217 0.045 25670 20 1 . 1 1 13 13 GLY H H 13 7.960 7.960 7.880 0.080 25670 21 1 . 1 1 14 14 CYS HA H 14 5.449 5.449 5.164 0.285 25670 22 1 . 1 1 14 14 CYS H H 14 8.296 8.296 8.403 -0.107 25670 23 1 . 1 1 15 15 SER HA H 15 4.628 4.628 4.415 0.213 25670 24 1 . 1 1 15 15 SER H H 15 8.853 8.853 8.715 0.138 25670 25 1 . 1 1 16 16 VAL HA H 16 4.240 4.240 3.734 0.506 25670 26 1 . 1 1 16 16 VAL H H 16 7.987 7.987 7.593 0.394 25670 27 1 . 1 1 17 17 ASP H H 17 8.397 8.397 8.301 0.097 25670 28 1 . 1 1 18 18 TRP HA H 18 4.488 4.488 4.498 -0.010 25670 29 1 . 1 1 18 18 TRP H H 18 8.013 8.013 8.076 -0.063 25670 30 1 . 1 1 19 19 GLY H H 19 8.325 8.325 8.342 -0.017 25670 31 1 . 1 1 20 20 LYS HA H 20 4.263 4.263 4.553 -0.290 25670 32 1 . 1 1 20 20 LYS H H 20 7.700 7.700 7.894 -0.194 25670 33 1 . 1 1 21 21 ALA HA H 21 4.210 4.210 4.329 -0.119 25670 34 1 . 1 1 21 21 ALA H H 21 7.992 7.992 7.994 -0.002 25670 35 1 . 1 1 22 22 ILE HA H 22 4.027 4.027 3.892 0.135 25670 36 1 . 1 1 22 22 ILE H H 22 7.972 7.972 8.194 -0.222 25670 37 1 . 1 1 23 23 GLY H H 23 7.914 7.914 8.257 -0.343 25670 38 1 . 1 1 24 24 ILE HA H 24 4.065 4.065 4.066 -0.001 25670 39 1 . 1 1 24 24 ILE H H 24 7.760 7.760 7.509 0.251 25670 40 1 . 1 1 25 25 ILE HA H 25 3.995 3.995 3.815 0.180 25670 41 1 . 1 1 25 25 ILE H H 25 8.063 8.063 7.790 0.273 25670 42 1 . 1 1 26 26 GLY H H 26 8.361 8.361 8.373 -0.012 25670 43 1 . 1 1 27 27 ASN HA H 27 4.677 4.677 4.592 0.085 25670 44 1 . 1 1 27 27 ASN H H 27 8.064 8.064 7.847 0.217 25670 45 1 . 1 1 28 28 ASN HA H 28 4.629 4.629 4.506 0.123 25670 46 1 . 1 1 28 28 ASN H H 28 8.289 8.289 8.105 0.184 25670 47 1 . 1 1 29 29 ALA HA H 29 4.215 4.215 4.266 -0.051 25670 48 1 . 1 1 29 29 ALA H H 29 8.348 8.348 7.937 0.411 25670 49 1 . 1 1 30 30 ALA HA H 30 4.184 4.184 4.069 0.115 25670 50 1 . 1 1 30 30 ALA H H 30 8.080 8.080 7.783 0.297 25670 51 1 . 1 1 31 31 ALA HA H 31 4.182 4.182 4.060 0.122 25670 52 1 . 1 1 31 31 ALA H H 31 7.967 7.967 7.816 0.150 25670 53 1 . 1 1 32 32 ASN HA H 32 4.607 4.607 4.632 -0.025 25670 54 1 . 1 1 32 32 ASN H H 32 8.058 8.058 7.838 0.220 25670 55 1 . 1 1 33 33 LEU HA H 33 4.322 4.322 4.175 0.147 25670 56 1 . 1 1 33 33 LEU H H 33 8.172 8.172 7.727 0.445 25670 57 1 . 1 1 34 34 THR HA H 34 4.355 4.355 4.236 0.119 25670 58 1 . 1 1 34 34 THR H H 34 7.990 7.990 7.879 0.111 25670 59 1 . 1 1 35 35 THR HA H 35 4.408 4.408 4.265 0.143 25670 60 1 . 1 1 35 35 THR H H 35 7.830 7.830 7.589 0.241 25670 61 1 . 1 1 36 36 GLY H H 36 8.175 8.175 8.055 0.120 25670 62 1 . 1 1 37 37 GLY H H 37 8.322 8.322 8.145 0.177 25670 63 1 . 1 1 39 39 ALA HA H 39 4.321 4.321 4.508 -0.187 25670 64 1 . 1 1 39 39 ALA H H 39 8.130 8.130 8.223 -0.093 25670 65 1 . 1 1 40 40 GLY H H 40 8.156 8.156 8.478 -0.322 25670 66 1 . 1 1 41 41 TRP HA H 41 4.660 4.660 4.777 -0.117 25670 67 1 . 1 1 41 41 TRP H H 41 7.930 7.930 7.773 0.157 25670 stop_ save_