data_18859 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18859 _Entry.PDB_ID 2M1E 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 18859 _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 ILE HA H 2 3.886 3.886 3.913 -0.027 18859 2 1 1 . 1 1 2 2 ILE H H 2 8.529 8.529 8.177 0.352 18859 3 1 1 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.693 -0.084 18859 4 1 1 . 1 1 3 3 VAL H H 3 8.223 8.223 8.191 0.032 18859 5 1 1 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.466 -0.274 18859 6 1 1 . 1 1 5 5 GLN H H 5 8.214 8.214 7.669 0.545 18859 7 1 1 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.820 0.117 18859 8 1 1 . 1 1 6 6 CYS H H 6 8.353 8.353 8.229 0.124 18859 9 1 1 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.681 0.173 18859 10 1 1 . 1 1 7 7 CYS H H 7 8.334 8.334 8.345 -0.011 18859 11 1 1 . 1 1 8 8 THR HA H 8 4.003 4.003 4.258 -0.255 18859 12 1 1 . 1 1 8 8 THR H H 8 8.337 8.337 8.051 0.286 18859 13 1 1 . 1 1 9 9 SER HA H 9 4.807 4.807 4.651 0.156 18859 14 1 1 . 1 1 9 9 SER H H 9 7.345 7.345 7.446 -0.101 18859 15 1 1 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.223 0.116 18859 16 1 1 . 1 1 10 10 ILE H H 10 7.881 7.881 8.214 -0.333 18859 17 1 1 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.993 0.008 18859 18 1 1 . 1 1 11 11 CYS H H 11 9.795 9.795 8.462 1.333 18859 19 1 1 . 1 1 12 12 SER HA H 12 4.597 4.597 4.819 -0.222 18859 20 1 1 . 1 1 12 12 SER H H 12 8.703 8.703 8.486 0.217 18859 21 1 1 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.082 -0.305 18859 22 1 1 . 1 1 13 13 LEU H H 13 8.656 8.656 8.675 -0.019 18859 23 1 1 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.404 -0.258 18859 24 1 1 . 1 1 14 14 TYR H H 14 7.572 7.572 7.587 -0.015 18859 25 1 1 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.292 -0.318 18859 26 1 1 . 1 1 15 15 GLN H H 15 7.547 7.547 7.791 -0.244 18859 27 1 1 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.271 -0.141 18859 28 1 1 . 1 1 16 16 LEU H H 16 8.069 8.069 7.781 0.288 18859 29 1 1 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.044 0.147 18859 30 1 1 . 1 1 17 17 GLU H H 17 8.077 8.077 8.523 -0.446 18859 31 1 1 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.438 0.058 18859 32 1 1 . 1 1 18 18 ASN H H 18 7.394 7.394 7.898 -0.504 18859 33 1 1 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.560 -0.212 18859 34 1 1 . 1 1 19 19 TYR H H 19 7.906 7.906 7.708 0.198 18859 35 1 1 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.580 0.452 18859 36 1 1 . 1 1 20 20 CYS H H 20 7.319 7.319 7.746 -0.427 18859 37 1 2 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.805 0.081 18859 38 1 2 . 1 1 2 2 ILE H H 2 8.529 8.529 8.456 0.073 18859 39 1 2 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.662 -0.053 18859 40 1 2 . 1 1 3 3 VAL H H 3 8.223 8.223 8.002 0.221 18859 41 1 2 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.433 -0.241 18859 42 1 2 . 1 1 5 5 GLN H H 5 8.214 8.214 7.787 0.427 18859 43 1 2 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.648 0.289 18859 44 1 2 . 1 1 6 6 CYS H H 6 8.353 8.353 8.384 -0.031 18859 45 1 2 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.626 0.228 18859 46 1 2 . 1 1 7 7 CYS H H 7 8.334 8.334 8.145 0.189 18859 47 1 2 . 1 1 8 8 THR HA H 8 4.003 4.003 4.263 -0.260 18859 48 1 2 . 1 1 8 8 THR H H 8 8.337 8.337 7.979 0.358 18859 49 1 2 . 1 1 9 9 SER HA H 9 4.807 4.807 4.660 0.147 18859 50 1 2 . 1 1 9 9 SER H H 9 7.345 7.345 7.451 -0.106 18859 51 1 2 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.355 -0.016 18859 52 1 2 . 1 1 10 10 ILE H H 10 7.881 7.881 8.233 -0.352 18859 53 1 2 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.907 0.094 18859 54 1 2 . 1 1 11 11 CYS H H 11 9.795 9.795 8.054 1.741 18859 55 1 2 . 1 1 12 12 SER HA H 12 4.597 4.597 4.750 -0.153 18859 56 1 2 . 1 1 12 12 SER H H 12 8.703 8.703 8.380 0.323 18859 57 1 2 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.085 -0.308 18859 58 1 2 . 1 1 13 13 LEU H H 13 8.656 8.656 8.631 0.025 18859 59 1 2 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.391 -0.245 18859 60 1 2 . 1 1 14 14 TYR H H 14 7.572 7.572 7.256 0.316 18859 61 1 2 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.197 -0.223 18859 62 1 2 . 1 1 15 15 GLN H H 15 7.547 7.547 7.601 -0.054 18859 63 1 2 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.275 -0.145 18859 64 1 2 . 1 1 16 16 LEU H H 16 8.069 8.069 7.730 0.339 18859 65 1 2 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.059 0.132 18859 66 1 2 . 1 1 17 17 GLU H H 17 8.077 8.077 8.589 -0.512 18859 67 1 2 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.480 0.016 18859 68 1 2 . 1 1 18 18 ASN H H 18 7.394 7.394 7.906 -0.512 18859 69 1 2 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.638 -0.290 18859 70 1 2 . 1 1 19 19 TYR H H 19 7.906 7.906 7.748 0.158 18859 71 1 2 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.678 0.353 18859 72 1 2 . 1 1 20 20 CYS H H 20 7.319 7.319 7.826 -0.507 18859 73 1 3 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.115 -0.229 18859 74 1 3 . 1 1 2 2 ILE H H 2 8.529 8.529 8.209 0.320 18859 75 1 3 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.867 -0.258 18859 76 1 3 . 1 1 3 3 VAL H H 3 8.223 8.223 7.969 0.254 18859 77 1 3 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.362 -0.170 18859 78 1 3 . 1 1 5 5 GLN H H 5 8.214 8.214 7.772 0.442 18859 79 1 3 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.557 0.380 18859 80 1 3 . 1 1 6 6 CYS H H 6 8.353 8.353 8.385 -0.032 18859 81 1 3 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.412 0.442 18859 82 1 3 . 1 1 7 7 CYS H H 7 8.334 8.334 8.575 -0.241 18859 83 1 3 . 1 1 8 8 THR HA H 8 4.003 4.003 4.097 -0.094 18859 84 1 3 . 1 1 8 8 THR H H 8 8.337 8.337 8.344 -0.007 18859 85 1 3 . 1 1 9 9 SER HA H 9 4.807 4.807 4.666 0.141 18859 86 1 3 . 1 1 9 9 SER H H 9 7.345 7.345 8.077 -0.732 18859 87 1 3 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.311 0.028 18859 88 1 3 . 1 1 10 10 ILE H H 10 7.881 7.881 8.211 -0.330 18859 89 1 3 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.006 -0.005 18859 90 1 3 . 1 1 11 11 CYS H H 11 9.795 9.795 8.417 1.378 18859 91 1 3 . 1 1 12 12 SER HA H 12 4.597 4.597 4.770 -0.173 18859 92 1 3 . 1 1 12 12 SER H H 12 8.703 8.703 9.119 -0.416 18859 93 1 3 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.091 -0.314 18859 94 1 3 . 1 1 13 13 LEU H H 13 8.656 8.656 8.592 0.064 18859 95 1 3 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.354 -0.208 18859 96 1 3 . 1 1 14 14 TYR H H 14 7.572 7.572 7.332 0.240 18859 97 1 3 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.245 -0.271 18859 98 1 3 . 1 1 15 15 GLN H H 15 7.547 7.547 7.820 -0.273 18859 99 1 3 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.257 -0.127 18859 100 1 3 . 1 1 16 16 LEU H H 16 8.069 8.069 7.410 0.659 18859 101 1 3 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.064 0.127 18859 102 1 3 . 1 1 17 17 GLU H H 17 8.077 8.077 8.422 -0.345 18859 103 1 3 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.517 -0.021 18859 104 1 3 . 1 1 18 18 ASN H H 18 7.394 7.394 8.188 -0.794 18859 105 1 3 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.610 -0.262 18859 106 1 3 . 1 1 19 19 TYR H H 19 7.906 7.906 7.807 0.099 18859 107 1 3 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.726 0.306 18859 108 1 3 . 1 1 20 20 CYS H H 20 7.319 7.319 7.663 -0.344 18859 109 1 4 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.045 -0.159 18859 110 1 4 . 1 1 2 2 ILE H H 2 8.529 8.529 8.207 0.322 18859 111 1 4 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.731 -0.122 18859 112 1 4 . 1 1 3 3 VAL H H 3 8.223 8.223 8.013 0.210 18859 113 1 4 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.569 -0.377 18859 114 1 4 . 1 1 5 5 GLN H H 5 8.214 8.214 7.865 0.349 18859 115 1 4 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.890 0.047 18859 116 1 4 . 1 1 6 6 CYS H H 6 8.353 8.353 7.790 0.563 18859 117 1 4 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.668 0.186 18859 118 1 4 . 1 1 7 7 CYS H H 7 8.334 8.334 8.616 -0.282 18859 119 1 4 . 1 1 8 8 THR HA H 8 4.003 4.003 4.162 -0.159 18859 120 1 4 . 1 1 8 8 THR H H 8 8.337 8.337 7.932 0.405 18859 121 1 4 . 1 1 9 9 SER HA H 9 4.807 4.807 4.626 0.181 18859 122 1 4 . 1 1 9 9 SER H H 9 7.345 7.345 7.707 -0.362 18859 123 1 4 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.062 0.277 18859 124 1 4 . 1 1 10 10 ILE H H 10 7.881 7.881 8.311 -0.430 18859 125 1 4 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.211 -0.210 18859 126 1 4 . 1 1 11 11 CYS H H 11 9.795 9.795 8.296 1.499 18859 127 1 4 . 1 1 12 12 SER HA H 12 4.597 4.597 4.818 -0.221 18859 128 1 4 . 1 1 12 12 SER H H 12 8.703 8.703 8.855 -0.152 18859 129 1 4 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.094 -0.317 18859 130 1 4 . 1 1 13 13 LEU H H 13 8.656 8.656 8.643 0.013 18859 131 1 4 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.428 -0.282 18859 132 1 4 . 1 1 14 14 TYR H H 14 7.572 7.572 7.316 0.256 18859 133 1 4 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.324 -0.350 18859 134 1 4 . 1 1 15 15 GLN H H 15 7.547 7.547 7.945 -0.398 18859 135 1 4 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.400 -0.270 18859 136 1 4 . 1 1 16 16 LEU H H 16 8.069 8.069 7.474 0.595 18859 137 1 4 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.103 0.088 18859 138 1 4 . 1 1 17 17 GLU H H 17 8.077 8.077 8.349 -0.272 18859 139 1 4 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.441 0.055 18859 140 1 4 . 1 1 18 18 ASN H H 18 7.394 7.394 8.237 -0.843 18859 141 1 4 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.576 -0.228 18859 142 1 4 . 1 1 19 19 TYR H H 19 7.906 7.906 7.671 0.235 18859 143 1 4 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.496 0.536 18859 144 1 4 . 1 1 20 20 CYS H H 20 7.319 7.319 7.631 -0.312 18859 145 1 5 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.811 0.075 18859 146 1 5 . 1 1 2 2 ILE H H 2 8.529 8.529 8.389 0.140 18859 147 1 5 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.704 -0.095 18859 148 1 5 . 1 1 3 3 VAL H H 3 8.223 8.223 7.838 0.385 18859 149 1 5 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.469 -0.277 18859 150 1 5 . 1 1 5 5 GLN H H 5 8.214 8.214 7.792 0.422 18859 151 1 5 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.861 0.076 18859 152 1 5 . 1 1 6 6 CYS H H 6 8.353 8.353 8.080 0.273 18859 153 1 5 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.656 0.198 18859 154 1 5 . 1 1 7 7 CYS H H 7 8.334 8.334 8.244 0.090 18859 155 1 5 . 1 1 8 8 THR HA H 8 4.003 4.003 4.286 -0.283 18859 156 1 5 . 1 1 8 8 THR H H 8 8.337 8.337 7.985 0.352 18859 157 1 5 . 1 1 9 9 SER HA H 9 4.807 4.807 4.724 0.083 18859 158 1 5 . 1 1 9 9 SER H H 9 7.345 7.345 7.802 -0.457 18859 159 1 5 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.207 0.132 18859 160 1 5 . 1 1 10 10 ILE H H 10 7.881 7.881 8.255 -0.374 18859 161 1 5 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.774 0.227 18859 162 1 5 . 1 1 11 11 CYS H H 11 9.795 9.795 8.400 1.395 18859 163 1 5 . 1 1 12 12 SER HA H 12 4.597 4.597 4.565 0.032 18859 164 1 5 . 1 1 12 12 SER H H 12 8.703 8.703 8.136 0.567 18859 165 1 5 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.109 -0.332 18859 166 1 5 . 1 1 13 13 LEU H H 13 8.656 8.656 8.629 0.027 18859 167 1 5 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.522 -0.376 18859 168 1 5 . 1 1 14 14 TYR H H 14 7.572 7.572 7.258 0.314 18859 169 1 5 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.334 -0.360 18859 170 1 5 . 1 1 15 15 GLN H H 15 7.547 7.547 7.853 -0.306 18859 171 1 5 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.287 -0.157 18859 172 1 5 . 1 1 16 16 LEU H H 16 8.069 8.069 7.961 0.108 18859 173 1 5 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.133 0.058 18859 174 1 5 . 1 1 17 17 GLU H H 17 8.077 8.077 8.605 -0.528 18859 175 1 5 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.379 0.117 18859 176 1 5 . 1 1 18 18 ASN H H 18 7.394 7.394 7.732 -0.338 18859 177 1 5 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.586 -0.238 18859 178 1 5 . 1 1 19 19 TYR H H 19 7.906 7.906 7.708 0.198 18859 179 1 5 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.483 0.549 18859 180 1 5 . 1 1 20 20 CYS H H 20 7.319 7.319 7.826 -0.507 18859 181 1 6 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.805 0.081 18859 182 1 6 . 1 1 2 2 ILE H H 2 8.529 8.529 8.558 -0.029 18859 183 1 6 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.517 0.092 18859 184 1 6 . 1 1 3 3 VAL H H 3 8.223 8.223 8.154 0.069 18859 185 1 6 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.441 -0.249 18859 186 1 6 . 1 1 5 5 GLN H H 5 8.214 8.214 7.850 0.364 18859 187 1 6 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.854 0.083 18859 188 1 6 . 1 1 6 6 CYS H H 6 8.353 8.353 8.586 -0.233 18859 189 1 6 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.693 0.161 18859 190 1 6 . 1 1 7 7 CYS H H 7 8.334 8.334 8.408 -0.074 18859 191 1 6 . 1 1 8 8 THR HA H 8 4.003 4.003 4.242 -0.239 18859 192 1 6 . 1 1 8 8 THR H H 8 8.337 8.337 8.325 0.012 18859 193 1 6 . 1 1 9 9 SER HA H 9 4.807 4.807 4.697 0.110 18859 194 1 6 . 1 1 9 9 SER H H 9 7.345 7.345 7.776 -0.431 18859 195 1 6 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.233 0.106 18859 196 1 6 . 1 1 10 10 ILE H H 10 7.881 7.881 8.314 -0.433 18859 197 1 6 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.109 -0.108 18859 198 1 6 . 1 1 11 11 CYS H H 11 9.795 9.795 8.213 1.582 18859 199 1 6 . 1 1 12 12 SER HA H 12 4.597 4.597 4.804 -0.207 18859 200 1 6 . 1 1 12 12 SER H H 12 8.703 8.703 9.022 -0.319 18859 201 1 6 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.109 -0.332 18859 202 1 6 . 1 1 13 13 LEU H H 13 8.656 8.656 8.537 0.119 18859 203 1 6 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.433 -0.287 18859 204 1 6 . 1 1 14 14 TYR H H 14 7.572 7.572 7.312 0.260 18859 205 1 6 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.231 -0.257 18859 206 1 6 . 1 1 15 15 GLN H H 15 7.547 7.547 7.581 -0.034 18859 207 1 6 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.305 -0.175 18859 208 1 6 . 1 1 16 16 LEU H H 16 8.069 8.069 7.616 0.453 18859 209 1 6 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.127 0.064 18859 210 1 6 . 1 1 17 17 GLU H H 17 8.077 8.077 8.484 -0.407 18859 211 1 6 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.456 0.040 18859 212 1 6 . 1 1 18 18 ASN H H 18 7.394 7.394 8.084 -0.690 18859 213 1 6 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.667 -0.319 18859 214 1 6 . 1 1 19 19 TYR H H 19 7.906 7.906 8.074 -0.168 18859 215 1 6 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.418 0.614 18859 216 1 6 . 1 1 20 20 CYS H H 20 7.319 7.319 7.713 -0.394 18859 217 1 7 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.970 -0.084 18859 218 1 7 . 1 1 2 2 ILE H H 2 8.529 8.529 8.212 0.317 18859 219 1 7 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.732 -0.123 18859 220 1 7 . 1 1 3 3 VAL H H 3 8.223 8.223 7.974 0.249 18859 221 1 7 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.335 -0.143 18859 222 1 7 . 1 1 5 5 GLN H H 5 8.214 8.214 7.685 0.529 18859 223 1 7 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.515 0.422 18859 224 1 7 . 1 1 6 6 CYS H H 6 8.353 8.353 8.429 -0.076 18859 225 1 7 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.243 0.611 18859 226 1 7 . 1 1 7 7 CYS H H 7 8.334 8.334 8.338 -0.004 18859 227 1 7 . 1 1 8 8 THR HA H 8 4.003 4.003 4.279 -0.276 18859 228 1 7 . 1 1 8 8 THR H H 8 8.337 8.337 8.262 0.075 18859 229 1 7 . 1 1 9 9 SER HA H 9 4.807 4.807 4.662 0.145 18859 230 1 7 . 1 1 9 9 SER H H 9 7.345 7.345 8.085 -0.740 18859 231 1 7 . 1 1 10 10 ILE HA H 10 4.339 4.339 3.832 0.507 18859 232 1 7 . 1 1 10 10 ILE H H 10 7.881 7.881 7.484 0.397 18859 233 1 7 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.860 0.141 18859 234 1 7 . 1 1 11 11 CYS H H 11 9.795 9.795 8.539 1.256 18859 235 1 7 . 1 1 12 12 SER HA H 12 4.597 4.597 4.689 -0.092 18859 236 1 7 . 1 1 12 12 SER H H 12 8.703 8.703 8.516 0.187 18859 237 1 7 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.031 -0.254 18859 238 1 7 . 1 1 13 13 LEU H H 13 8.656 8.656 8.683 -0.027 18859 239 1 7 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.583 -0.437 18859 240 1 7 . 1 1 14 14 TYR H H 14 7.572 7.572 7.773 -0.201 18859 241 1 7 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.393 -0.419 18859 242 1 7 . 1 1 15 15 GLN H H 15 7.547 7.547 7.912 -0.365 18859 243 1 7 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.446 -0.316 18859 244 1 7 . 1 1 16 16 LEU H H 16 8.069 8.069 7.585 0.484 18859 245 1 7 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.071 0.120 18859 246 1 7 . 1 1 17 17 GLU H H 17 8.077 8.077 8.412 -0.335 18859 247 1 7 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.462 0.034 18859 248 1 7 . 1 1 18 18 ASN H H 18 7.394 7.394 8.619 -1.225 18859 249 1 7 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.654 -0.306 18859 250 1 7 . 1 1 19 19 TYR H H 19 7.906 7.906 7.768 0.138 18859 251 1 7 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.440 0.592 18859 252 1 7 . 1 1 20 20 CYS H H 20 7.319 7.319 7.717 -0.398 18859 253 1 8 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.844 0.042 18859 254 1 8 . 1 1 2 2 ILE H H 2 8.529 8.529 8.374 0.155 18859 255 1 8 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.590 0.019 18859 256 1 8 . 1 1 3 3 VAL H H 3 8.223 8.223 8.099 0.124 18859 257 1 8 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.356 -0.164 18859 258 1 8 . 1 1 5 5 GLN H H 5 8.214 8.214 7.529 0.685 18859 259 1 8 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.361 0.576 18859 260 1 8 . 1 1 6 6 CYS H H 6 8.353 8.353 8.491 -0.138 18859 261 1 8 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.325 0.529 18859 262 1 8 . 1 1 7 7 CYS H H 7 8.334 8.334 8.540 -0.206 18859 263 1 8 . 1 1 8 8 THR HA H 8 4.003 4.003 4.387 -0.384 18859 264 1 8 . 1 1 8 8 THR H H 8 8.337 8.337 8.133 0.204 18859 265 1 8 . 1 1 9 9 SER HA H 9 4.807 4.807 4.633 0.174 18859 266 1 8 . 1 1 9 9 SER H H 9 7.345 7.345 7.985 -0.640 18859 267 1 8 . 1 1 10 10 ILE HA H 10 4.339 4.339 3.767 0.572 18859 268 1 8 . 1 1 10 10 ILE H H 10 7.881 7.881 7.662 0.219 18859 269 1 8 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.847 0.154 18859 270 1 8 . 1 1 11 11 CYS H H 11 9.795 9.795 8.413 1.382 18859 271 1 8 . 1 1 12 12 SER HA H 12 4.597 4.597 4.811 -0.214 18859 272 1 8 . 1 1 12 12 SER H H 12 8.703 8.703 8.387 0.316 18859 273 1 8 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.118 -0.341 18859 274 1 8 . 1 1 13 13 LEU H H 13 8.656 8.656 8.616 0.040 18859 275 1 8 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.542 -0.396 18859 276 1 8 . 1 1 14 14 TYR H H 14 7.572 7.572 7.274 0.298 18859 277 1 8 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.352 -0.378 18859 278 1 8 . 1 1 15 15 GLN H H 15 7.547 7.547 7.844 -0.297 18859 279 1 8 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.077 0.053 18859 280 1 8 . 1 1 16 16 LEU H H 16 8.069 8.069 8.380 -0.311 18859 281 1 8 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.099 0.092 18859 282 1 8 . 1 1 17 17 GLU H H 17 8.077 8.077 8.525 -0.448 18859 283 1 8 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.521 -0.025 18859 284 1 8 . 1 1 18 18 ASN H H 18 7.394 7.394 7.882 -0.488 18859 285 1 8 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.640 -0.292 18859 286 1 8 . 1 1 19 19 TYR H H 19 7.906 7.906 7.727 0.179 18859 287 1 8 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.455 0.577 18859 288 1 8 . 1 1 20 20 CYS H H 20 7.319 7.319 7.676 -0.357 18859 289 1 9 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.851 0.035 18859 290 1 9 . 1 1 2 2 ILE H H 2 8.529 8.529 8.551 -0.022 18859 291 1 9 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.686 -0.077 18859 292 1 9 . 1 1 3 3 VAL H H 3 8.223 8.223 8.093 0.130 18859 293 1 9 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.365 -0.173 18859 294 1 9 . 1 1 5 5 GLN H H 5 8.214 8.214 7.778 0.436 18859 295 1 9 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.571 0.366 18859 296 1 9 . 1 1 6 6 CYS H H 6 8.353 8.353 8.375 -0.022 18859 297 1 9 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.442 0.412 18859 298 1 9 . 1 1 7 7 CYS H H 7 8.334 8.334 7.976 0.358 18859 299 1 9 . 1 1 8 8 THR HA H 8 4.003 4.003 4.335 -0.332 18859 300 1 9 . 1 1 8 8 THR H H 8 8.337 8.337 8.193 0.144 18859 301 1 9 . 1 1 9 9 SER HA H 9 4.807 4.807 4.669 0.138 18859 302 1 9 . 1 1 9 9 SER H H 9 7.345 7.345 7.513 -0.168 18859 303 1 9 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.178 0.161 18859 304 1 9 . 1 1 10 10 ILE H H 10 7.881 7.881 8.234 -0.353 18859 305 1 9 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.418 0.583 18859 306 1 9 . 1 1 11 11 CYS H H 11 9.795 9.795 8.534 1.261 18859 307 1 9 . 1 1 12 12 SER HA H 12 4.597 4.597 4.822 -0.225 18859 308 1 9 . 1 1 12 12 SER H H 12 8.703 8.703 8.587 0.116 18859 309 1 9 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.153 -0.376 18859 310 1 9 . 1 1 13 13 LEU H H 13 8.656 8.656 8.738 -0.082 18859 311 1 9 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.693 -0.547 18859 312 1 9 . 1 1 14 14 TYR H H 14 7.572 7.572 7.367 0.205 18859 313 1 9 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.354 -0.380 18859 314 1 9 . 1 1 15 15 GLN H H 15 7.547 7.547 7.742 -0.195 18859 315 1 9 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.236 -0.106 18859 316 1 9 . 1 1 16 16 LEU H H 16 8.069 8.069 7.940 0.129 18859 317 1 9 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.102 0.089 18859 318 1 9 . 1 1 17 17 GLU H H 17 8.077 8.077 8.288 -0.211 18859 319 1 9 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.515 -0.019 18859 320 1 9 . 1 1 18 18 ASN H H 18 7.394 7.394 7.892 -0.498 18859 321 1 9 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.505 -0.157 18859 322 1 9 . 1 1 19 19 TYR H H 19 7.906 7.906 7.528 0.378 18859 323 1 9 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.539 0.493 18859 324 1 9 . 1 1 20 20 CYS H H 20 7.319 7.319 7.610 -0.291 18859 325 1 10 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.963 -0.077 18859 326 1 10 . 1 1 2 2 ILE H H 2 8.529 8.529 8.136 0.393 18859 327 1 10 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.789 -0.180 18859 328 1 10 . 1 1 3 3 VAL H H 3 8.223 8.223 7.873 0.350 18859 329 1 10 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.376 -0.184 18859 330 1 10 . 1 1 5 5 GLN H H 5 8.214 8.214 7.718 0.496 18859 331 1 10 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.385 0.552 18859 332 1 10 . 1 1 6 6 CYS H H 6 8.353 8.353 8.395 -0.042 18859 333 1 10 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.274 0.580 18859 334 1 10 . 1 1 7 7 CYS H H 7 8.334 8.334 8.443 -0.109 18859 335 1 10 . 1 1 8 8 THR HA H 8 4.003 4.003 4.365 -0.362 18859 336 1 10 . 1 1 8 8 THR H H 8 8.337 8.337 8.210 0.127 18859 337 1 10 . 1 1 9 9 SER HA H 9 4.807 4.807 4.636 0.171 18859 338 1 10 . 1 1 9 9 SER H H 9 7.345 7.345 7.947 -0.602 18859 339 1 10 . 1 1 10 10 ILE HA H 10 4.339 4.339 3.839 0.500 18859 340 1 10 . 1 1 10 10 ILE H H 10 7.881 7.881 7.472 0.409 18859 341 1 10 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.845 0.156 18859 342 1 10 . 1 1 11 11 CYS H H 11 9.795 9.795 8.544 1.251 18859 343 1 10 . 1 1 12 12 SER HA H 12 4.597 4.597 4.781 -0.184 18859 344 1 10 . 1 1 12 12 SER H H 12 8.703 8.703 8.468 0.235 18859 345 1 10 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.002 -0.225 18859 346 1 10 . 1 1 13 13 LEU H H 13 8.656 8.656 8.450 0.206 18859 347 1 10 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.521 -0.375 18859 348 1 10 . 1 1 14 14 TYR H H 14 7.572 7.572 7.429 0.143 18859 349 1 10 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.304 -0.330 18859 350 1 10 . 1 1 15 15 GLN H H 15 7.547 7.547 7.787 -0.240 18859 351 1 10 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.175 -0.045 18859 352 1 10 . 1 1 16 16 LEU H H 16 8.069 8.069 7.973 0.096 18859 353 1 10 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.088 0.103 18859 354 1 10 . 1 1 17 17 GLU H H 17 8.077 8.077 8.512 -0.435 18859 355 1 10 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.516 -0.020 18859 356 1 10 . 1 1 18 18 ASN H H 18 7.394 7.394 7.751 -0.357 18859 357 1 10 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.666 -0.318 18859 358 1 10 . 1 1 19 19 TYR H H 19 7.906 7.906 8.049 -0.143 18859 359 1 10 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.511 0.521 18859 360 1 10 . 1 1 20 20 CYS H H 20 7.319 7.319 7.775 -0.456 18859 361 1 11 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.857 0.029 18859 362 1 11 . 1 1 2 2 ILE H H 2 8.529 8.529 8.235 0.294 18859 363 1 11 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.655 -0.046 18859 364 1 11 . 1 1 3 3 VAL H H 3 8.223 8.223 8.192 0.031 18859 365 1 11 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.421 -0.229 18859 366 1 11 . 1 1 5 5 GLN H H 5 8.214 8.214 7.816 0.398 18859 367 1 11 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.629 0.308 18859 368 1 11 . 1 1 6 6 CYS H H 6 8.353 8.353 8.642 -0.289 18859 369 1 11 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.490 0.364 18859 370 1 11 . 1 1 7 7 CYS H H 7 8.334 8.334 8.164 0.170 18859 371 1 11 . 1 1 8 8 THR HA H 8 4.003 4.003 4.088 -0.085 18859 372 1 11 . 1 1 8 8 THR H H 8 8.337 8.337 7.900 0.437 18859 373 1 11 . 1 1 9 9 SER HA H 9 4.807 4.807 4.771 0.036 18859 374 1 11 . 1 1 9 9 SER H H 9 7.345 7.345 7.909 -0.564 18859 375 1 11 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.382 -0.043 18859 376 1 11 . 1 1 10 10 ILE H H 10 7.881 7.881 8.210 -0.329 18859 377 1 11 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.948 0.053 18859 378 1 11 . 1 1 11 11 CYS H H 11 9.795 9.795 8.328 1.467 18859 379 1 11 . 1 1 12 12 SER HA H 12 4.597 4.597 4.650 -0.053 18859 380 1 11 . 1 1 12 12 SER H H 12 8.703 8.703 8.912 -0.209 18859 381 1 11 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.022 -0.245 18859 382 1 11 . 1 1 13 13 LEU H H 13 8.656 8.656 8.423 0.233 18859 383 1 11 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.585 -0.439 18859 384 1 11 . 1 1 14 14 TYR H H 14 7.572 7.572 7.649 -0.077 18859 385 1 11 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.314 -0.340 18859 386 1 11 . 1 1 15 15 GLN H H 15 7.547 7.547 7.982 -0.435 18859 387 1 11 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.338 -0.208 18859 388 1 11 . 1 1 16 16 LEU H H 16 8.069 8.069 7.473 0.596 18859 389 1 11 . 1 1 17 17 GLU HA H 17 4.191 4.191 3.990 0.201 18859 390 1 11 . 1 1 17 17 GLU H H 17 8.077 8.077 8.107 -0.030 18859 391 1 11 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.430 0.066 18859 392 1 11 . 1 1 18 18 ASN H H 18 7.394 7.394 8.148 -0.754 18859 393 1 11 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.575 -0.227 18859 394 1 11 . 1 1 19 19 TYR H H 19 7.906 7.906 7.597 0.309 18859 395 1 11 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.626 0.406 18859 396 1 11 . 1 1 20 20 CYS H H 20 7.319 7.319 7.742 -0.423 18859 397 1 12 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.090 -0.204 18859 398 1 12 . 1 1 2 2 ILE H H 2 8.529 8.529 8.204 0.325 18859 399 1 12 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.637 -0.028 18859 400 1 12 . 1 1 3 3 VAL H H 3 8.223 8.223 8.202 0.021 18859 401 1 12 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.353 -0.161 18859 402 1 12 . 1 1 5 5 GLN H H 5 8.214 8.214 7.676 0.538 18859 403 1 12 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.811 0.126 18859 404 1 12 . 1 1 6 6 CYS H H 6 8.353 8.353 8.351 0.002 18859 405 1 12 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.622 0.232 18859 406 1 12 . 1 1 7 7 CYS H H 7 8.334 8.334 8.503 -0.169 18859 407 1 12 . 1 1 8 8 THR HA H 8 4.003 4.003 4.244 -0.241 18859 408 1 12 . 1 1 8 8 THR H H 8 8.337 8.337 8.016 0.321 18859 409 1 12 . 1 1 9 9 SER HA H 9 4.807 4.807 4.598 0.209 18859 410 1 12 . 1 1 9 9 SER H H 9 7.345 7.345 7.834 -0.489 18859 411 1 12 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.268 0.071 18859 412 1 12 . 1 1 10 10 ILE H H 10 7.881 7.881 8.280 -0.399 18859 413 1 12 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.063 -0.062 18859 414 1 12 . 1 1 11 11 CYS H H 11 9.795 9.795 8.249 1.546 18859 415 1 12 . 1 1 12 12 SER HA H 12 4.597 4.597 4.841 -0.244 18859 416 1 12 . 1 1 12 12 SER H H 12 8.703 8.703 8.884 -0.181 18859 417 1 12 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.097 -0.320 18859 418 1 12 . 1 1 13 13 LEU H H 13 8.656 8.656 8.679 -0.023 18859 419 1 12 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.389 -0.243 18859 420 1 12 . 1 1 14 14 TYR H H 14 7.572 7.572 7.327 0.245 18859 421 1 12 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.220 -0.246 18859 422 1 12 . 1 1 15 15 GLN H H 15 7.547 7.547 7.838 -0.291 18859 423 1 12 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.281 -0.151 18859 424 1 12 . 1 1 16 16 LEU H H 16 8.069 8.069 7.356 0.713 18859 425 1 12 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.162 0.029 18859 426 1 12 . 1 1 17 17 GLU H H 17 8.077 8.077 8.512 -0.435 18859 427 1 12 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.539 -0.043 18859 428 1 12 . 1 1 18 18 ASN H H 18 7.394 7.394 8.049 -0.655 18859 429 1 12 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.646 -0.298 18859 430 1 12 . 1 1 19 19 TYR H H 19 7.906 7.906 8.107 -0.201 18859 431 1 12 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.572 0.460 18859 432 1 12 . 1 1 20 20 CYS H H 20 7.319 7.319 7.702 -0.383 18859 433 1 13 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.014 -0.128 18859 434 1 13 . 1 1 2 2 ILE H H 2 8.529 8.529 8.283 0.246 18859 435 1 13 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.889 -0.280 18859 436 1 13 . 1 1 3 3 VAL H H 3 8.223 8.223 7.624 0.599 18859 437 1 13 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.452 -0.260 18859 438 1 13 . 1 1 5 5 GLN H H 5 8.214 8.214 7.700 0.514 18859 439 1 13 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.860 0.077 18859 440 1 13 . 1 1 6 6 CYS H H 6 8.353 8.353 7.876 0.477 18859 441 1 13 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.412 0.442 18859 442 1 13 . 1 1 7 7 CYS H H 7 8.334 8.334 8.511 -0.177 18859 443 1 13 . 1 1 8 8 THR HA H 8 4.003 4.003 4.215 -0.212 18859 444 1 13 . 1 1 8 8 THR H H 8 8.337 8.337 8.145 0.192 18859 445 1 13 . 1 1 9 9 SER HA H 9 4.807 4.807 4.711 0.096 18859 446 1 13 . 1 1 9 9 SER H H 9 7.345 7.345 7.520 -0.175 18859 447 1 13 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.318 0.021 18859 448 1 13 . 1 1 10 10 ILE H H 10 7.881 7.881 8.252 -0.371 18859 449 1 13 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.738 0.263 18859 450 1 13 . 1 1 11 11 CYS H H 11 9.795 9.795 8.579 1.216 18859 451 1 13 . 1 1 12 12 SER HA H 12 4.597 4.597 4.820 -0.223 18859 452 1 13 . 1 1 12 12 SER H H 12 8.703 8.703 8.431 0.272 18859 453 1 13 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.179 -0.402 18859 454 1 13 . 1 1 13 13 LEU H H 13 8.656 8.656 8.763 -0.107 18859 455 1 13 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.477 -0.331 18859 456 1 13 . 1 1 14 14 TYR H H 14 7.572 7.572 7.316 0.256 18859 457 1 13 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.376 -0.402 18859 458 1 13 . 1 1 15 15 GLN H H 15 7.547 7.547 8.007 -0.460 18859 459 1 13 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.385 -0.255 18859 460 1 13 . 1 1 16 16 LEU H H 16 8.069 8.069 7.244 0.825 18859 461 1 13 . 1 1 17 17 GLU HA H 17 4.191 4.191 3.965 0.226 18859 462 1 13 . 1 1 17 17 GLU H H 17 8.077 8.077 8.543 -0.466 18859 463 1 13 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.449 0.047 18859 464 1 13 . 1 1 18 18 ASN H H 18 7.394 7.394 8.401 -1.007 18859 465 1 13 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.636 -0.288 18859 466 1 13 . 1 1 19 19 TYR H H 19 7.906 7.906 7.813 0.093 18859 467 1 13 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.490 0.542 18859 468 1 13 . 1 1 20 20 CYS H H 20 7.319 7.319 7.780 -0.461 18859 469 1 14 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.002 -0.116 18859 470 1 14 . 1 1 2 2 ILE H H 2 8.529 8.529 8.242 0.287 18859 471 1 14 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.670 -0.061 18859 472 1 14 . 1 1 3 3 VAL H H 3 8.223 8.223 8.010 0.213 18859 473 1 14 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.321 -0.129 18859 474 1 14 . 1 1 5 5 GLN H H 5 8.214 8.214 7.812 0.402 18859 475 1 14 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.542 0.396 18859 476 1 14 . 1 1 6 6 CYS H H 6 8.353 8.353 8.496 -0.143 18859 477 1 14 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.530 0.324 18859 478 1 14 . 1 1 7 7 CYS H H 7 8.334 8.334 8.583 -0.249 18859 479 1 14 . 1 1 8 8 THR HA H 8 4.003 4.003 4.106 -0.103 18859 480 1 14 . 1 1 8 8 THR H H 8 8.337 8.337 8.119 0.218 18859 481 1 14 . 1 1 9 9 SER HA H 9 4.807 4.807 4.724 0.083 18859 482 1 14 . 1 1 9 9 SER H H 9 7.345 7.345 7.657 -0.312 18859 483 1 14 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.377 -0.038 18859 484 1 14 . 1 1 10 10 ILE H H 10 7.881 7.881 8.283 -0.402 18859 485 1 14 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.972 0.029 18859 486 1 14 . 1 1 11 11 CYS H H 11 9.795 9.795 8.416 1.379 18859 487 1 14 . 1 1 12 12 SER HA H 12 4.597 4.597 4.754 -0.157 18859 488 1 14 . 1 1 12 12 SER H H 12 8.703 8.703 8.953 -0.250 18859 489 1 14 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.012 -0.235 18859 490 1 14 . 1 1 13 13 LEU H H 13 8.656 8.656 8.553 0.103 18859 491 1 14 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.545 -0.399 18859 492 1 14 . 1 1 14 14 TYR H H 14 7.572 7.572 7.623 -0.051 18859 493 1 14 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.277 -0.303 18859 494 1 14 . 1 1 15 15 GLN H H 15 7.547 7.547 7.991 -0.444 18859 495 1 14 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.326 -0.196 18859 496 1 14 . 1 1 16 16 LEU H H 16 8.069 8.069 7.328 0.741 18859 497 1 14 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.005 0.186 18859 498 1 14 . 1 1 17 17 GLU H H 17 8.077 8.077 8.298 -0.221 18859 499 1 14 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.472 0.024 18859 500 1 14 . 1 1 18 18 ASN H H 18 7.394 7.394 8.287 -0.893 18859 501 1 14 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.642 -0.294 18859 502 1 14 . 1 1 19 19 TYR H H 19 7.906 7.906 7.662 0.244 18859 503 1 14 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.606 0.426 18859 504 1 14 . 1 1 20 20 CYS H H 20 7.319 7.319 7.756 -0.437 18859 505 1 15 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.737 0.149 18859 506 1 15 . 1 1 2 2 ILE H H 2 8.529 8.529 8.322 0.207 18859 507 1 15 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.715 -0.106 18859 508 1 15 . 1 1 3 3 VAL H H 3 8.223 8.223 8.190 0.033 18859 509 1 15 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.447 -0.255 18859 510 1 15 . 1 1 5 5 GLN H H 5 8.214 8.214 7.731 0.483 18859 511 1 15 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.883 0.054 18859 512 1 15 . 1 1 6 6 CYS H H 6 8.353 8.353 8.211 0.142 18859 513 1 15 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.605 0.249 18859 514 1 15 . 1 1 7 7 CYS H H 7 8.334 8.334 8.310 0.024 18859 515 1 15 . 1 1 8 8 THR HA H 8 4.003 4.003 4.175 -0.172 18859 516 1 15 . 1 1 8 8 THR H H 8 8.337 8.337 8.016 0.321 18859 517 1 15 . 1 1 9 9 SER HA H 9 4.807 4.807 4.686 0.121 18859 518 1 15 . 1 1 9 9 SER H H 9 7.345 7.345 7.569 -0.224 18859 519 1 15 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.160 0.179 18859 520 1 15 . 1 1 10 10 ILE H H 10 7.881 7.881 8.298 -0.417 18859 521 1 15 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.848 0.153 18859 522 1 15 . 1 1 11 11 CYS H H 11 9.795 9.795 7.969 1.826 18859 523 1 15 . 1 1 12 12 SER HA H 12 4.597 4.597 4.744 -0.147 18859 524 1 15 . 1 1 12 12 SER H H 12 8.703 8.703 8.370 0.333 18859 525 1 15 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.026 -0.249 18859 526 1 15 . 1 1 13 13 LEU H H 13 8.656 8.656 8.594 0.062 18859 527 1 15 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.559 -0.413 18859 528 1 15 . 1 1 14 14 TYR H H 14 7.572 7.572 7.618 -0.046 18859 529 1 15 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.297 -0.323 18859 530 1 15 . 1 1 15 15 GLN H H 15 7.547 7.547 7.974 -0.427 18859 531 1 15 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.415 -0.285 18859 532 1 15 . 1 1 16 16 LEU H H 16 8.069 8.069 7.536 0.533 18859 533 1 15 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.036 0.155 18859 534 1 15 . 1 1 17 17 GLU H H 17 8.077 8.077 8.090 -0.013 18859 535 1 15 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.438 0.058 18859 536 1 15 . 1 1 18 18 ASN H H 18 7.394 7.394 8.369 -0.975 18859 537 1 15 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.558 -0.210 18859 538 1 15 . 1 1 19 19 TYR H H 19 7.906 7.906 7.582 0.324 18859 539 1 15 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.581 0.451 18859 540 1 15 . 1 1 20 20 CYS H H 20 7.319 7.319 7.657 -0.338 18859 541 1 16 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.852 0.034 18859 542 1 16 . 1 1 2 2 ILE H H 2 8.529 8.529 8.005 0.524 18859 543 1 16 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.732 -0.123 18859 544 1 16 . 1 1 3 3 VAL H H 3 8.223 8.223 8.217 0.006 18859 545 1 16 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.354 -0.162 18859 546 1 16 . 1 1 5 5 GLN H H 5 8.214 8.214 7.603 0.611 18859 547 1 16 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.410 0.527 18859 548 1 16 . 1 1 6 6 CYS H H 6 8.353 8.353 8.467 -0.114 18859 549 1 16 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.417 0.437 18859 550 1 16 . 1 1 7 7 CYS H H 7 8.334 8.334 8.151 0.183 18859 551 1 16 . 1 1 8 8 THR HA H 8 4.003 4.003 4.086 -0.083 18859 552 1 16 . 1 1 8 8 THR H H 8 8.337 8.337 7.914 0.423 18859 553 1 16 . 1 1 9 9 SER HA H 9 4.807 4.807 4.585 0.222 18859 554 1 16 . 1 1 9 9 SER H H 9 7.345 7.345 7.924 -0.579 18859 555 1 16 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.607 -0.268 18859 556 1 16 . 1 1 10 10 ILE H H 10 7.881 7.881 8.054 -0.173 18859 557 1 16 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.988 0.013 18859 558 1 16 . 1 1 11 11 CYS H H 11 9.795 9.795 8.484 1.311 18859 559 1 16 . 1 1 12 12 SER HA H 12 4.597 4.597 4.662 -0.065 18859 560 1 16 . 1 1 12 12 SER H H 12 8.703 8.703 8.500 0.203 18859 561 1 16 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.045 -0.268 18859 562 1 16 . 1 1 13 13 LEU H H 13 8.656 8.656 8.520 0.136 18859 563 1 16 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.410 -0.264 18859 564 1 16 . 1 1 14 14 TYR H H 14 7.572 7.572 7.321 0.251 18859 565 1 16 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.334 -0.360 18859 566 1 16 . 1 1 15 15 GLN H H 15 7.547 7.547 7.934 -0.387 18859 567 1 16 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.297 -0.167 18859 568 1 16 . 1 1 16 16 LEU H H 16 8.069 8.069 7.845 0.224 18859 569 1 16 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.094 0.097 18859 570 1 16 . 1 1 17 17 GLU H H 17 8.077 8.077 8.202 -0.125 18859 571 1 16 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.452 0.044 18859 572 1 16 . 1 1 18 18 ASN H H 18 7.394 7.394 8.174 -0.780 18859 573 1 16 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.669 -0.321 18859 574 1 16 . 1 1 19 19 TYR H H 19 7.906 7.906 7.774 0.132 18859 575 1 16 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.745 0.287 18859 576 1 16 . 1 1 20 20 CYS H H 20 7.319 7.319 7.635 -0.316 18859 577 1 17 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.935 -0.049 18859 578 1 17 . 1 1 2 2 ILE H H 2 8.529 8.529 8.309 0.220 18859 579 1 17 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.606 0.003 18859 580 1 17 . 1 1 3 3 VAL H H 3 8.223 8.223 8.178 0.044 18859 581 1 17 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.479 -0.287 18859 582 1 17 . 1 1 5 5 GLN H H 5 8.214 8.214 7.799 0.415 18859 583 1 17 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.750 0.187 18859 584 1 17 . 1 1 6 6 CYS H H 6 8.353 8.353 8.604 -0.251 18859 585 1 17 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.539 0.315 18859 586 1 17 . 1 1 7 7 CYS H H 7 8.334 8.334 8.165 0.169 18859 587 1 17 . 1 1 8 8 THR HA H 8 4.003 4.003 4.211 -0.208 18859 588 1 17 . 1 1 8 8 THR H H 8 8.337 8.337 7.951 0.386 18859 589 1 17 . 1 1 9 9 SER HA H 9 4.807 4.807 4.699 0.108 18859 590 1 17 . 1 1 9 9 SER H H 9 7.345 7.345 7.442 -0.097 18859 591 1 17 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.289 0.050 18859 592 1 17 . 1 1 10 10 ILE H H 10 7.881 7.881 8.263 -0.382 18859 593 1 17 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.870 0.131 18859 594 1 17 . 1 1 11 11 CYS H H 11 9.795 9.795 8.676 1.119 18859 595 1 17 . 1 1 12 12 SER HA H 12 4.597 4.597 4.697 -0.100 18859 596 1 17 . 1 1 12 12 SER H H 12 8.703 8.703 8.457 0.246 18859 597 1 17 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.021 -0.244 18859 598 1 17 . 1 1 13 13 LEU H H 13 8.656 8.656 8.564 0.092 18859 599 1 17 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.494 -0.348 18859 600 1 17 . 1 1 14 14 TYR H H 14 7.572 7.572 7.383 0.189 18859 601 1 17 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.285 -0.311 18859 602 1 17 . 1 1 15 15 GLN H H 15 7.547 7.547 7.815 -0.268 18859 603 1 17 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.320 -0.190 18859 604 1 17 . 1 1 16 16 LEU H H 16 8.069 8.069 7.488 0.581 18859 605 1 17 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.092 0.099 18859 606 1 17 . 1 1 17 17 GLU H H 17 8.077 8.077 8.561 -0.484 18859 607 1 17 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.440 0.056 18859 608 1 17 . 1 1 18 18 ASN H H 18 7.394 7.394 8.144 -0.750 18859 609 1 17 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.591 -0.243 18859 610 1 17 . 1 1 19 19 TYR H H 19 7.906 7.906 7.647 0.259 18859 611 1 17 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.426 0.606 18859 612 1 17 . 1 1 20 20 CYS H H 20 7.319 7.319 7.616 -0.297 18859 613 1 18 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.916 -0.030 18859 614 1 18 . 1 1 2 2 ILE H H 2 8.529 8.529 8.292 0.237 18859 615 1 18 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.601 0.008 18859 616 1 18 . 1 1 3 3 VAL H H 3 8.223 8.223 8.159 0.064 18859 617 1 18 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.424 -0.232 18859 618 1 18 . 1 1 5 5 GLN H H 5 8.214 8.214 7.640 0.574 18859 619 1 18 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.507 0.430 18859 620 1 18 . 1 1 6 6 CYS H H 6 8.353 8.353 8.371 -0.018 18859 621 1 18 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.520 0.334 18859 622 1 18 . 1 1 7 7 CYS H H 7 8.334 8.334 8.275 0.059 18859 623 1 18 . 1 1 8 8 THR HA H 8 4.003 4.003 4.267 -0.264 18859 624 1 18 . 1 1 8 8 THR H H 8 8.337 8.337 7.980 0.357 18859 625 1 18 . 1 1 9 9 SER HA H 9 4.807 4.807 4.684 0.123 18859 626 1 18 . 1 1 9 9 SER H H 9 7.345 7.345 7.448 -0.103 18859 627 1 18 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.417 -0.078 18859 628 1 18 . 1 1 10 10 ILE H H 10 7.881 7.881 8.302 -0.421 18859 629 1 18 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.032 -0.031 18859 630 1 18 . 1 1 11 11 CYS H H 11 9.795 9.795 8.373 1.422 18859 631 1 18 . 1 1 12 12 SER HA H 12 4.597 4.597 4.825 -0.228 18859 632 1 18 . 1 1 12 12 SER H H 12 8.703 8.703 8.865 -0.162 18859 633 1 18 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.106 -0.329 18859 634 1 18 . 1 1 13 13 LEU H H 13 8.656 8.656 8.657 -0.001 18859 635 1 18 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.644 -0.498 18859 636 1 18 . 1 1 14 14 TYR H H 14 7.572 7.572 7.255 0.317 18859 637 1 18 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.248 -0.274 18859 638 1 18 . 1 1 15 15 GLN H H 15 7.547 7.547 7.844 -0.297 18859 639 1 18 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.183 -0.053 18859 640 1 18 . 1 1 16 16 LEU H H 16 8.069 8.069 7.561 0.508 18859 641 1 18 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.066 0.125 18859 642 1 18 . 1 1 17 17 GLU H H 17 8.077 8.077 8.204 -0.127 18859 643 1 18 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.468 0.028 18859 644 1 18 . 1 1 18 18 ASN H H 18 7.394 7.394 7.794 -0.400 18859 645 1 18 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.566 -0.218 18859 646 1 18 . 1 1 19 19 TYR H H 19 7.906 7.906 7.567 0.339 18859 647 1 18 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.546 0.486 18859 648 1 18 . 1 1 20 20 CYS H H 20 7.319 7.319 7.680 -0.361 18859 649 1 19 . 1 1 2 2 ILE HA H 2 3.886 3.886 4.094 -0.208 18859 650 1 19 . 1 1 2 2 ILE H H 2 8.529 8.529 8.009 0.520 18859 651 1 19 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.720 -0.111 18859 652 1 19 . 1 1 3 3 VAL H H 3 8.223 8.223 8.198 0.025 18859 653 1 19 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.437 -0.245 18859 654 1 19 . 1 1 5 5 GLN H H 5 8.214 8.214 7.637 0.577 18859 655 1 19 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.354 0.583 18859 656 1 19 . 1 1 6 6 CYS H H 6 8.353 8.353 8.361 -0.008 18859 657 1 19 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.587 0.267 18859 658 1 19 . 1 1 7 7 CYS H H 7 8.334 8.334 8.480 -0.146 18859 659 1 19 . 1 1 8 8 THR HA H 8 4.003 4.003 4.221 -0.218 18859 660 1 19 . 1 1 8 8 THR H H 8 8.337 8.337 7.937 0.400 18859 661 1 19 . 1 1 9 9 SER HA H 9 4.807 4.807 4.614 0.193 18859 662 1 19 . 1 1 9 9 SER H H 9 7.345 7.345 7.410 -0.065 18859 663 1 19 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.346 -0.007 18859 664 1 19 . 1 1 10 10 ILE H H 10 7.881 7.881 8.186 -0.305 18859 665 1 19 . 1 1 11 11 CYS HA H 11 5.001 5.001 5.149 -0.148 18859 666 1 19 . 1 1 11 11 CYS H H 11 9.795 9.795 8.504 1.291 18859 667 1 19 . 1 1 12 12 SER HA H 12 4.597 4.597 4.867 -0.270 18859 668 1 19 . 1 1 12 12 SER H H 12 8.703 8.703 8.840 -0.137 18859 669 1 19 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.108 -0.331 18859 670 1 19 . 1 1 13 13 LEU H H 13 8.656 8.656 8.675 -0.019 18859 671 1 19 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.662 -0.516 18859 672 1 19 . 1 1 14 14 TYR H H 14 7.572 7.572 7.418 0.154 18859 673 1 19 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.270 -0.296 18859 674 1 19 . 1 1 15 15 GLN H H 15 7.547 7.547 7.899 -0.352 18859 675 1 19 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.161 -0.031 18859 676 1 19 . 1 1 16 16 LEU H H 16 8.069 8.069 7.928 0.141 18859 677 1 19 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.153 0.038 18859 678 1 19 . 1 1 17 17 GLU H H 17 8.077 8.077 8.219 -0.142 18859 679 1 19 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.530 -0.034 18859 680 1 19 . 1 1 18 18 ASN H H 18 7.394 7.394 7.867 -0.473 18859 681 1 19 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.578 -0.230 18859 682 1 19 . 1 1 19 19 TYR H H 19 7.906 7.906 7.800 0.106 18859 683 1 19 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.457 0.575 18859 684 1 19 . 1 1 20 20 CYS H H 20 7.319 7.319 7.811 -0.492 18859 685 1 20 . 1 1 2 2 ILE HA H 2 3.886 3.886 3.918 -0.032 18859 686 1 20 . 1 1 2 2 ILE H H 2 8.529 8.529 8.270 0.259 18859 687 1 20 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.675 -0.066 18859 688 1 20 . 1 1 3 3 VAL H H 3 8.223 8.223 8.016 0.207 18859 689 1 20 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.307 -0.115 18859 690 1 20 . 1 1 5 5 GLN H H 5 8.214 8.214 7.706 0.508 18859 691 1 20 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.457 0.480 18859 692 1 20 . 1 1 6 6 CYS H H 6 8.353 8.353 8.551 -0.198 18859 693 1 20 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.358 0.496 18859 694 1 20 . 1 1 7 7 CYS H H 7 8.334 8.334 8.286 0.048 18859 695 1 20 . 1 1 8 8 THR HA H 8 4.003 4.003 4.322 -0.319 18859 696 1 20 . 1 1 8 8 THR H H 8 8.337 8.337 8.070 0.267 18859 697 1 20 . 1 1 9 9 SER HA H 9 4.807 4.807 4.615 0.192 18859 698 1 20 . 1 1 9 9 SER H H 9 7.345 7.345 7.972 -0.627 18859 699 1 20 . 1 1 10 10 ILE HA H 10 4.339 4.339 3.888 0.451 18859 700 1 20 . 1 1 10 10 ILE H H 10 7.881 7.881 7.342 0.539 18859 701 1 20 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.852 0.149 18859 702 1 20 . 1 1 11 11 CYS H H 11 9.795 9.795 8.497 1.298 18859 703 1 20 . 1 1 12 12 SER HA H 12 4.597 4.597 4.733 -0.136 18859 704 1 20 . 1 1 12 12 SER H H 12 8.703 8.703 8.462 0.241 18859 705 1 20 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.043 -0.266 18859 706 1 20 . 1 1 13 13 LEU H H 13 8.656 8.656 8.485 0.171 18859 707 1 20 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.504 -0.358 18859 708 1 20 . 1 1 14 14 TYR H H 14 7.572 7.572 7.353 0.219 18859 709 1 20 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.245 -0.271 18859 710 1 20 . 1 1 15 15 GLN H H 15 7.547 7.547 7.773 -0.226 18859 711 1 20 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.178 -0.048 18859 712 1 20 . 1 1 16 16 LEU H H 16 8.069 8.069 8.007 0.062 18859 713 1 20 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.115 0.076 18859 714 1 20 . 1 1 17 17 GLU H H 17 8.077 8.077 8.656 -0.579 18859 715 1 20 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.505 -0.009 18859 716 1 20 . 1 1 18 18 ASN H H 18 7.394 7.394 7.734 -0.340 18859 717 1 20 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.678 -0.330 18859 718 1 20 . 1 1 19 19 TYR H H 19 7.906 7.906 7.811 0.095 18859 719 1 20 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.587 0.445 18859 720 1 20 . 1 1 20 20 CYS H H 20 7.319 7.319 7.865 -0.546 18859 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 18859 2 1 1 "Average Difference" HA 18 0.215 0.048 0.216 18859 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18859 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18859 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18859 6 1 1 "Average Difference" HN 18 0.427 -0.071 0.433 18859 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18859 8 1 2 "Average Difference" HA 18 0.208 0.033 0.211 18859 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18859 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18859 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18859 12 1 2 "Average Difference" HN 18 0.511 -0.116 0.512 18859 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18859 14 1 3 "Average Difference" HA 18 0.231 0.039 0.234 18859 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18859 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18859 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18859 18 1 3 "Average Difference" HN 18 0.505 0.003 0.519 18859 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18859 20 1 4 "Average Difference" HA 18 0.255 0.074 0.251 18859 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18859 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18859 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18859 24 1 4 "Average Difference" HN 18 0.523 -0.078 0.533 18859 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18859 26 1 5 "Average Difference" HA 18 0.244 0.032 0.249 18859 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18859 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18859 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18859 30 1 5 "Average Difference" HN 18 0.475 -0.098 0.478 18859 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18859 32 1 6 "Average Difference" HA 18 0.238 0.046 0.240 18859 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18859 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18859 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18859 36 1 6 "Average Difference" HN 18 0.488 0.020 0.502 18859 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18859 38 1 7 "Average Difference" HA 18 0.331 -0.007 0.340 18859 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18859 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18859 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18859 42 1 7 "Average Difference" HN 18 0.525 -0.015 0.540 18859 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18859 44 1 8 "Average Difference" HA 18 0.338 -0.033 0.347 18859 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18859 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18859 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18859 48 1 8 "Average Difference" HN 18 0.469 -0.040 0.481 18859 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18859 50 1 9 "Average Difference" HA 18 0.313 0.006 0.322 18859 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18859 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18859 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18859 54 1 9 "Average Difference" HN 18 0.390 -0.073 0.394 18859 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18859 56 1 10 "Average Difference" HA 18 0.322 -0.016 0.331 18859 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18859 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18859 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18859 60 1 10 "Average Difference" HN 18 0.433 -0.073 0.439 18859 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18859 62 1 11 "Average Difference" HA 18 0.232 0.025 0.238 18859 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18859 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18859 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18859 66 1 11 "Average Difference" HN 18 0.507 -0.046 0.519 18859 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18859 68 1 12 "Average Difference" HA 18 0.218 0.062 0.215 18859 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18859 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18859 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18859 72 1 12 "Average Difference" HN 18 0.517 -0.027 0.531 18859 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18859 74 1 13 "Average Difference" HA 18 0.285 0.059 0.287 18859 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18859 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18859 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18859 78 1 13 "Average Difference" HN 18 0.533 -0.081 0.542 18859 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18859 80 1 14 "Average Difference" HA 18 0.234 0.031 0.239 18859 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18859 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18859 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18859 84 1 14 "Average Difference" HN 18 0.500 -0.010 0.514 18859 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18859 86 1 15 "Average Difference" HA 18 0.233 0.033 0.237 18859 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18859 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18859 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18859 90 1 15 "Average Difference" HN 18 0.563 -0.103 0.570 18859 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18859 92 1 16 "Average Difference" HA 18 0.251 0.023 0.258 18859 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18859 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18859 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18859 96 1 16 "Average Difference" HN 18 0.473 -0.085 0.478 18859 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18859 98 1 17 "Average Difference" HA 18 0.242 0.024 0.248 18859 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18859 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18859 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18859 102 1 17 "Average Difference" HN 18 0.431 -0.066 0.438 18859 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18859 104 1 18 "Average Difference" HA 18 0.261 0.039 0.266 18859 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18859 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18859 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18859 108 1 18 "Average Difference" HN 18 0.449 -0.110 0.448 18859 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18859 110 1 19 "Average Difference" HA 18 0.294 0.055 0.297 18859 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18859 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18859 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18859 114 1 19 "Average Difference" HN 18 0.424 -0.060 0.432 18859 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18859 116 1 20 "Average Difference" HA 18 0.285 -0.019 0.293 18859 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18859 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18859 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18859 120 1 20 "Average Difference" HN 18 0.459 -0.078 0.466 18859 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 18859 _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 ILE HA H 2 3.886 3.886 3.927 -0.041 18859 2 1 . 1 1 2 2 ILE H H 2 8.529 8.529 8.272 0.257 18859 3 1 . 1 1 3 3 VAL HA H 3 3.609 3.609 3.694 -0.085 18859 4 1 . 1 1 3 3 VAL H H 3 8.223 8.223 8.060 0.163 18859 5 1 . 1 1 5 5 GLN HA H 5 4.192 4.192 4.408 -0.216 18859 6 1 . 1 1 5 5 GLN H H 5 8.214 8.214 7.728 0.486 18859 7 1 . 1 1 6 6 CYS HA H 6 4.937 4.937 4.633 0.304 18859 8 1 . 1 1 6 6 CYS H H 6 8.353 8.353 8.354 -0.001 18859 9 1 . 1 1 7 7 CYS HA H 7 4.854 4.854 4.505 0.349 18859 10 1 . 1 1 7 7 CYS H H 7 8.334 8.334 8.353 -0.019 18859 11 1 . 1 1 8 8 THR HA H 8 4.003 4.003 4.230 -0.227 18859 12 1 . 1 1 8 8 THR H H 8 8.337 8.337 8.073 0.264 18859 13 1 . 1 1 9 9 SER HA H 9 4.807 4.807 4.666 0.141 18859 14 1 . 1 1 9 9 SER H H 9 7.345 7.345 7.724 -0.379 18859 15 1 . 1 1 10 10 ILE HA H 10 4.339 4.339 4.203 0.136 18859 16 1 . 1 1 10 10 ILE H H 10 7.881 7.881 8.093 -0.212 18859 17 1 . 1 1 11 11 CYS HA H 11 5.001 5.001 4.921 0.080 18859 18 1 . 1 1 11 11 CYS H H 11 9.795 9.795 8.397 1.398 18859 19 1 . 1 1 12 12 SER HA H 12 4.597 4.597 4.761 -0.164 18859 20 1 . 1 1 12 12 SER H H 12 8.703 8.703 8.631 0.072 18859 21 1 . 1 1 13 13 LEU HA H 13 3.777 3.777 4.077 -0.300 18859 22 1 . 1 1 13 13 LEU H H 13 8.656 8.656 8.605 0.051 18859 23 1 . 1 1 14 14 TYR HA H 14 4.146 4.146 4.507 -0.361 18859 24 1 . 1 1 14 14 TYR H H 14 7.572 7.572 7.408 0.164 18859 25 1 . 1 1 15 15 GLN HA H 15 3.974 3.974 4.295 -0.321 18859 26 1 . 1 1 15 15 GLN H H 15 7.547 7.547 7.847 -0.300 18859 27 1 . 1 1 16 16 LEU HA H 16 4.130 4.130 4.281 -0.151 18859 28 1 . 1 1 16 16 LEU H H 16 8.069 8.069 7.681 0.388 18859 29 1 . 1 1 17 17 GLU HA H 17 4.191 4.191 4.078 0.113 18859 30 1 . 1 1 17 17 GLU H H 17 8.077 8.077 8.405 -0.328 18859 31 1 . 1 1 18 18 ASN HA H 18 4.496 4.496 4.472 0.024 18859 32 1 . 1 1 18 18 ASN H H 18 7.394 7.394 8.058 -0.664 18859 33 1 . 1 1 19 19 TYR HA H 19 4.348 4.348 4.612 -0.264 18859 34 1 . 1 1 19 19 TYR H H 19 7.906 7.906 7.757 0.149 18859 35 1 . 1 1 20 20 CYS HA H 20 5.032 5.032 4.548 0.484 18859 36 1 . 1 1 20 20 CYS H H 20 7.319 7.319 7.721 -0.402 18859 stop_ save_