data_19374 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19374 _Entry.PDB_ID 2MAU 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 19374 _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 ALA HA H 2 4.611 4.611 4.733 -0.122 19374 2 1 1 . 1 1 2 2 ALA H H 2 9.061 9.061 8.209 0.852 19374 3 1 1 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.441 -0.258 19374 4 1 1 . 1 1 3 3 GLN H H 3 7.995 7.995 8.527 -0.532 19374 5 1 1 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.775 1.017 19374 6 1 1 . 1 1 4 4 LYS H H 4 7.553 7.553 7.435 0.118 19374 7 1 1 . 1 1 5 5 GLY H H 5 9.288 9.288 8.227 1.061 19374 8 1 1 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.548 -0.128 19374 9 1 1 . 1 1 6 6 GLU H H 6 7.874 7.874 7.446 0.428 19374 10 1 1 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.621 0.200 19374 11 1 1 . 1 1 7 7 TYR H H 7 7.923 7.923 8.487 -0.564 19374 12 1 1 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.739 0.130 19374 13 1 1 . 1 1 8 8 CYS H H 8 7.257 7.257 7.993 -0.736 19374 14 1 1 . 1 1 9 9 SER HA H 9 4.708 4.708 5.022 -0.314 19374 15 1 1 . 1 1 9 9 SER H H 9 8.833 8.833 8.471 0.362 19374 16 1 1 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.731 0.023 19374 17 1 1 . 1 1 10 10 VAL H H 10 8.302 8.302 8.285 0.017 19374 18 1 1 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.559 0.028 19374 19 1 1 . 1 1 11 11 TYR H H 11 7.683 7.683 7.180 0.503 19374 20 1 1 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.472 0.079 19374 21 1 1 . 1 1 12 12 LEU H H 12 7.444 7.444 7.453 -0.009 19374 22 1 1 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.397 0.024 19374 23 1 1 . 1 1 13 13 GLN H H 13 8.260 8.260 8.144 0.116 19374 24 1 1 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.742 0.164 19374 25 1 1 . 1 1 14 14 CYS H H 14 9.123 9.123 8.501 0.622 19374 26 1 1 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.719 -0.090 19374 27 1 1 . 1 1 15 15 CYS H H 15 10.161 10.161 8.766 1.395 19374 28 1 1 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.559 0.061 19374 29 1 1 . 1 1 16 16 ASP H H 16 8.844 8.844 8.512 0.332 19374 30 1 1 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.302 0.318 19374 31 1 1 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.144 0.437 19374 32 1 1 . 1 1 18 18 TYR H H 18 8.372 8.372 7.051 1.321 19374 33 1 1 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.769 0.152 19374 34 1 1 . 1 1 19 19 HIS H H 19 9.330 9.330 7.601 1.729 19374 35 1 1 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.733 0.101 19374 36 1 1 . 1 1 20 20 CYS H H 20 9.098 9.098 8.906 0.192 19374 37 1 1 . 1 1 21 21 THR HA H 21 4.070 4.070 4.326 -0.256 19374 38 1 1 . 1 1 21 21 THR H H 21 9.217 9.217 8.956 0.261 19374 39 1 1 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.784 -0.022 19374 40 1 1 . 1 1 22 22 GLN H H 22 6.522 6.522 7.989 -1.467 19374 41 1 1 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.581 -0.521 19374 42 1 1 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.983 -0.076 19374 43 1 1 . 1 1 24 24 VAL H H 24 7.965 7.965 7.916 0.049 19374 44 1 1 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.504 -0.136 19374 45 1 1 . 1 1 25 25 ILE H H 25 7.525 7.525 7.456 0.069 19374 46 1 1 . 1 1 26 26 GLY H H 26 7.909 7.909 7.725 0.184 19374 47 1 1 . 1 1 27 27 GLY H H 27 8.342 8.342 7.477 0.865 19374 48 1 1 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.161 -0.029 19374 49 1 1 . 1 1 28 28 ILE H H 28 8.239 8.239 8.041 0.198 19374 50 1 1 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.252 -0.374 19374 51 1 1 . 1 1 29 29 CYS H H 29 7.982 7.982 8.032 -0.050 19374 52 1 2 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.737 -0.126 19374 53 1 2 . 1 1 2 2 ALA H H 2 9.061 9.061 8.212 0.849 19374 54 1 2 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.434 -0.251 19374 55 1 2 . 1 1 3 3 GLN H H 3 7.995 7.995 8.537 -0.542 19374 56 1 2 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.777 1.015 19374 57 1 2 . 1 1 4 4 LYS H H 4 7.553 7.553 7.450 0.103 19374 58 1 2 . 1 1 5 5 GLY H H 5 9.288 9.288 8.248 1.040 19374 59 1 2 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.542 -0.122 19374 60 1 2 . 1 1 6 6 GLU H H 6 7.874 7.874 7.454 0.420 19374 61 1 2 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.601 0.220 19374 62 1 2 . 1 1 7 7 TYR H H 7 7.923 7.923 8.490 -0.567 19374 63 1 2 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.829 0.040 19374 64 1 2 . 1 1 8 8 CYS H H 8 7.257 7.257 8.426 -1.169 19374 65 1 2 . 1 1 9 9 SER HA H 9 4.708 4.708 5.109 -0.401 19374 66 1 2 . 1 1 9 9 SER H H 9 8.833 8.833 8.314 0.519 19374 67 1 2 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.780 -0.026 19374 68 1 2 . 1 1 10 10 VAL H H 10 8.302 8.302 8.311 -0.009 19374 69 1 2 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.556 0.031 19374 70 1 2 . 1 1 11 11 TYR H H 11 7.683 7.683 7.193 0.490 19374 71 1 2 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.482 0.069 19374 72 1 2 . 1 1 12 12 LEU H H 12 7.444 7.444 7.484 -0.040 19374 73 1 2 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.372 0.049 19374 74 1 2 . 1 1 13 13 GLN H H 13 8.260 8.260 8.205 0.055 19374 75 1 2 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.867 0.039 19374 76 1 2 . 1 1 14 14 CYS H H 14 9.123 9.123 8.500 0.623 19374 77 1 2 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.729 -0.100 19374 78 1 2 . 1 1 15 15 CYS H H 15 10.161 10.161 8.768 1.393 19374 79 1 2 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.559 0.061 19374 80 1 2 . 1 1 16 16 ASP H H 16 8.844 8.844 8.517 0.327 19374 81 1 2 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.305 0.315 19374 82 1 2 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.082 0.499 19374 83 1 2 . 1 1 18 18 TYR H H 18 8.372 8.372 7.033 1.339 19374 84 1 2 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.786 0.135 19374 85 1 2 . 1 1 19 19 HIS H H 19 9.330 9.330 7.434 1.896 19374 86 1 2 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.749 0.085 19374 87 1 2 . 1 1 20 20 CYS H H 20 9.098 9.098 8.963 0.135 19374 88 1 2 . 1 1 21 21 THR HA H 21 4.070 4.070 4.298 -0.228 19374 89 1 2 . 1 1 21 21 THR H H 21 9.217 9.217 8.936 0.281 19374 90 1 2 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.842 -0.081 19374 91 1 2 . 1 1 22 22 GLN H H 22 6.522 6.522 8.220 -1.698 19374 92 1 2 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.709 -0.649 19374 93 1 2 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.992 -0.085 19374 94 1 2 . 1 1 24 24 VAL H H 24 7.965 7.965 7.879 0.086 19374 95 1 2 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.521 -0.153 19374 96 1 2 . 1 1 25 25 ILE H H 25 7.525 7.525 7.513 0.012 19374 97 1 2 . 1 1 26 26 GLY H H 26 7.909 7.909 7.712 0.197 19374 98 1 2 . 1 1 27 27 GLY H H 27 8.342 8.342 7.611 0.731 19374 99 1 2 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.171 -0.039 19374 100 1 2 . 1 1 28 28 ILE H H 28 8.239 8.239 8.016 0.223 19374 101 1 2 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.280 -0.402 19374 102 1 2 . 1 1 29 29 CYS H H 29 7.982 7.982 8.038 -0.056 19374 103 1 3 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.676 -0.065 19374 104 1 3 . 1 1 2 2 ALA H H 2 9.061 9.061 8.687 0.374 19374 105 1 3 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.392 -0.209 19374 106 1 3 . 1 1 3 3 GLN H H 3 7.995 7.995 8.527 -0.532 19374 107 1 3 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.710 1.082 19374 108 1 3 . 1 1 4 4 LYS H H 4 7.553 7.553 7.079 0.474 19374 109 1 3 . 1 1 5 5 GLY H H 5 9.288 9.288 8.464 0.824 19374 110 1 3 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.510 -0.090 19374 111 1 3 . 1 1 6 6 GLU H H 6 7.874 7.874 7.357 0.517 19374 112 1 3 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.598 0.223 19374 113 1 3 . 1 1 7 7 TYR H H 7 7.923 7.923 8.489 -0.566 19374 114 1 3 . 1 1 8 8 CYS HA H 8 4.869 4.869 5.036 -0.167 19374 115 1 3 . 1 1 8 8 CYS H H 8 7.257 7.257 8.431 -1.174 19374 116 1 3 . 1 1 9 9 SER HA H 9 4.708 4.708 5.081 -0.373 19374 117 1 3 . 1 1 9 9 SER H H 9 8.833 8.833 8.786 0.047 19374 118 1 3 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.837 -0.083 19374 119 1 3 . 1 1 10 10 VAL H H 10 8.302 8.302 8.109 0.193 19374 120 1 3 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.584 0.003 19374 121 1 3 . 1 1 11 11 TYR H H 11 7.683 7.683 7.264 0.419 19374 122 1 3 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.519 0.032 19374 123 1 3 . 1 1 12 12 LEU H H 12 7.444 7.444 7.684 -0.240 19374 124 1 3 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.898 -0.477 19374 125 1 3 . 1 1 13 13 GLN H H 13 8.260 8.260 8.426 -0.166 19374 126 1 3 . 1 1 14 14 CYS HA H 14 4.906 4.906 5.109 -0.203 19374 127 1 3 . 1 1 14 14 CYS H H 14 9.123 9.123 8.674 0.449 19374 128 1 3 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.742 -0.113 19374 129 1 3 . 1 1 15 15 CYS H H 15 10.161 10.161 8.545 1.616 19374 130 1 3 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.653 -0.033 19374 131 1 3 . 1 1 16 16 ASP H H 16 8.844 8.844 8.589 0.255 19374 132 1 3 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.328 0.292 19374 133 1 3 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.109 0.472 19374 134 1 3 . 1 1 18 18 TYR H H 18 8.372 8.372 7.003 1.369 19374 135 1 3 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.806 0.115 19374 136 1 3 . 1 1 19 19 HIS H H 19 9.330 9.330 8.012 1.318 19374 137 1 3 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.843 -0.009 19374 138 1 3 . 1 1 20 20 CYS H H 20 9.098 9.098 8.948 0.149 19374 139 1 3 . 1 1 21 21 THR HA H 21 4.070 4.070 4.360 -0.290 19374 140 1 3 . 1 1 21 21 THR H H 21 9.217 9.217 8.795 0.422 19374 141 1 3 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.808 -0.047 19374 142 1 3 . 1 1 22 22 GLN H H 22 6.522 6.522 8.100 -1.578 19374 143 1 3 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.558 -0.498 19374 144 1 3 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.962 -0.055 19374 145 1 3 . 1 1 24 24 VAL H H 24 7.965 7.965 7.908 0.057 19374 146 1 3 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.450 -0.082 19374 147 1 3 . 1 1 25 25 ILE H H 25 7.525 7.525 7.475 0.050 19374 148 1 3 . 1 1 26 26 GLY H H 26 7.909 7.909 7.527 0.382 19374 149 1 3 . 1 1 27 27 GLY H H 27 8.342 8.342 7.632 0.710 19374 150 1 3 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.214 -0.082 19374 151 1 3 . 1 1 28 28 ILE H H 28 8.239 8.239 8.113 0.126 19374 152 1 3 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.230 -0.352 19374 153 1 3 . 1 1 29 29 CYS H H 29 7.982 7.982 8.072 -0.090 19374 154 1 4 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.670 -0.059 19374 155 1 4 . 1 1 2 2 ALA H H 2 9.061 9.061 8.070 0.991 19374 156 1 4 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.446 -0.263 19374 157 1 4 . 1 1 3 3 GLN H H 3 7.995 7.995 8.570 -0.575 19374 158 1 4 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.759 1.033 19374 159 1 4 . 1 1 4 4 LYS H H 4 7.553 7.553 7.602 -0.049 19374 160 1 4 . 1 1 5 5 GLY H H 5 9.288 9.288 8.259 1.029 19374 161 1 4 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.565 -0.145 19374 162 1 4 . 1 1 6 6 GLU H H 6 7.874 7.874 7.439 0.435 19374 163 1 4 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.656 0.165 19374 164 1 4 . 1 1 7 7 TYR H H 7 7.923 7.923 8.453 -0.530 19374 165 1 4 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.761 0.108 19374 166 1 4 . 1 1 8 8 CYS H H 8 7.257 7.257 7.956 -0.699 19374 167 1 4 . 1 1 9 9 SER HA H 9 4.708 4.708 4.680 0.028 19374 168 1 4 . 1 1 9 9 SER H H 9 8.833 8.833 8.426 0.407 19374 169 1 4 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.746 0.008 19374 170 1 4 . 1 1 10 10 VAL H H 10 8.302 8.302 8.390 -0.088 19374 171 1 4 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.574 0.013 19374 172 1 4 . 1 1 11 11 TYR H H 11 7.683 7.683 7.185 0.498 19374 173 1 4 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.501 0.050 19374 174 1 4 . 1 1 12 12 LEU H H 12 7.444 7.444 7.553 -0.109 19374 175 1 4 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.290 0.131 19374 176 1 4 . 1 1 13 13 GLN H H 13 8.260 8.260 7.916 0.344 19374 177 1 4 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.706 0.200 19374 178 1 4 . 1 1 14 14 CYS H H 14 9.123 9.123 8.428 0.695 19374 179 1 4 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.646 -0.017 19374 180 1 4 . 1 1 15 15 CYS H H 15 10.161 10.161 8.735 1.426 19374 181 1 4 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.561 0.059 19374 182 1 4 . 1 1 16 16 ASP H H 16 8.844 8.844 8.579 0.265 19374 183 1 4 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.299 0.321 19374 184 1 4 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.275 0.306 19374 185 1 4 . 1 1 18 18 TYR H H 18 8.372 8.372 6.957 1.415 19374 186 1 4 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.768 0.153 19374 187 1 4 . 1 1 19 19 HIS H H 19 9.330 9.330 7.434 1.896 19374 188 1 4 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.746 0.088 19374 189 1 4 . 1 1 20 20 CYS H H 20 9.098 9.098 8.965 0.133 19374 190 1 4 . 1 1 21 21 THR HA H 21 4.070 4.070 4.240 -0.170 19374 191 1 4 . 1 1 21 21 THR H H 21 9.217 9.217 8.954 0.263 19374 192 1 4 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.845 -0.084 19374 193 1 4 . 1 1 22 22 GLN H H 22 6.522 6.522 8.171 -1.649 19374 194 1 4 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.284 -0.224 19374 195 1 4 . 1 1 24 24 VAL HA H 24 3.907 3.907 4.157 -0.250 19374 196 1 4 . 1 1 24 24 VAL H H 24 7.965 7.965 8.041 -0.076 19374 197 1 4 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.634 -0.266 19374 198 1 4 . 1 1 25 25 ILE H H 25 7.525 7.525 7.642 -0.117 19374 199 1 4 . 1 1 26 26 GLY H H 26 7.909 7.909 8.072 -0.163 19374 200 1 4 . 1 1 27 27 GLY H H 27 8.342 8.342 7.498 0.844 19374 201 1 4 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.152 -0.020 19374 202 1 4 . 1 1 28 28 ILE H H 28 8.239 8.239 8.044 0.195 19374 203 1 4 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.291 -0.413 19374 204 1 4 . 1 1 29 29 CYS H H 29 7.982 7.982 8.043 -0.061 19374 205 1 5 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.483 0.128 19374 206 1 5 . 1 1 2 2 ALA H H 2 9.061 9.061 8.401 0.660 19374 207 1 5 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.480 -0.297 19374 208 1 5 . 1 1 3 3 GLN H H 3 7.995 7.995 8.644 -0.649 19374 209 1 5 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.704 1.088 19374 210 1 5 . 1 1 4 4 LYS H H 4 7.553 7.553 7.786 -0.233 19374 211 1 5 . 1 1 5 5 GLY H H 5 9.288 9.288 8.267 1.021 19374 212 1 5 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.604 -0.184 19374 213 1 5 . 1 1 6 6 GLU H H 6 7.874 7.874 7.460 0.414 19374 214 1 5 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.519 0.302 19374 215 1 5 . 1 1 7 7 TYR H H 7 7.923 7.923 8.381 -0.458 19374 216 1 5 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.750 0.119 19374 217 1 5 . 1 1 8 8 CYS H H 8 7.257 7.257 8.289 -1.032 19374 218 1 5 . 1 1 9 9 SER HA H 9 4.708 4.708 4.846 -0.138 19374 219 1 5 . 1 1 9 9 SER H H 9 8.833 8.833 8.386 0.447 19374 220 1 5 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.761 -0.007 19374 221 1 5 . 1 1 10 10 VAL H H 10 8.302 8.302 7.991 0.311 19374 222 1 5 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.519 0.068 19374 223 1 5 . 1 1 11 11 TYR H H 11 7.683 7.683 7.292 0.391 19374 224 1 5 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.815 -0.264 19374 225 1 5 . 1 1 12 12 LEU H H 12 7.444 7.444 7.634 -0.190 19374 226 1 5 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.958 -0.537 19374 227 1 5 . 1 1 13 13 GLN H H 13 8.260 8.260 8.215 0.045 19374 228 1 5 . 1 1 14 14 CYS HA H 14 4.906 4.906 5.603 -0.697 19374 229 1 5 . 1 1 14 14 CYS H H 14 9.123 9.123 8.414 0.709 19374 230 1 5 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.737 -0.108 19374 231 1 5 . 1 1 15 15 CYS H H 15 10.161 10.161 8.504 1.657 19374 232 1 5 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.680 -0.060 19374 233 1 5 . 1 1 16 16 ASP H H 16 8.844 8.844 8.595 0.249 19374 234 1 5 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.305 0.315 19374 235 1 5 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.401 0.180 19374 236 1 5 . 1 1 18 18 TYR H H 18 8.372 8.372 7.088 1.284 19374 237 1 5 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.899 0.022 19374 238 1 5 . 1 1 19 19 HIS H H 19 9.330 9.330 8.002 1.328 19374 239 1 5 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.675 0.159 19374 240 1 5 . 1 1 20 20 CYS H H 20 9.098 9.098 8.953 0.145 19374 241 1 5 . 1 1 21 21 THR HA H 21 4.070 4.070 4.461 -0.391 19374 242 1 5 . 1 1 21 21 THR H H 21 9.217 9.217 8.609 0.608 19374 243 1 5 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.688 0.073 19374 244 1 5 . 1 1 22 22 GLN H H 22 6.522 6.522 7.694 -1.172 19374 245 1 5 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.643 -0.583 19374 246 1 5 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.945 -0.038 19374 247 1 5 . 1 1 24 24 VAL H H 24 7.965 7.965 7.904 0.061 19374 248 1 5 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.426 -0.058 19374 249 1 5 . 1 1 25 25 ILE H H 25 7.525 7.525 7.487 0.038 19374 250 1 5 . 1 1 26 26 GLY H H 26 7.909 7.909 7.872 0.037 19374 251 1 5 . 1 1 27 27 GLY H H 27 8.342 8.342 7.914 0.428 19374 252 1 5 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.247 -0.115 19374 253 1 5 . 1 1 28 28 ILE H H 28 8.239 8.239 8.115 0.124 19374 254 1 5 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.239 -0.361 19374 255 1 5 . 1 1 29 29 CYS H H 29 7.982 7.982 7.975 0.007 19374 256 1 6 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.751 -0.140 19374 257 1 6 . 1 1 2 2 ALA H H 2 9.061 9.061 8.102 0.959 19374 258 1 6 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.447 -0.264 19374 259 1 6 . 1 1 3 3 GLN H H 3 7.995 7.995 8.466 -0.471 19374 260 1 6 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.660 1.132 19374 261 1 6 . 1 1 4 4 LYS H H 4 7.553 7.553 7.541 0.012 19374 262 1 6 . 1 1 5 5 GLY H H 5 9.288 9.288 8.139 1.149 19374 263 1 6 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.572 -0.152 19374 264 1 6 . 1 1 6 6 GLU H H 6 7.874 7.874 7.517 0.357 19374 265 1 6 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.440 0.381 19374 266 1 6 . 1 1 7 7 TYR H H 7 7.923 7.923 8.417 -0.494 19374 267 1 6 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.437 0.432 19374 268 1 6 . 1 1 8 8 CYS H H 8 7.257 7.257 7.948 -0.691 19374 269 1 6 . 1 1 9 9 SER HA H 9 4.708 4.708 4.748 -0.040 19374 270 1 6 . 1 1 9 9 SER H H 9 8.833 8.833 8.059 0.774 19374 271 1 6 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.717 0.037 19374 272 1 6 . 1 1 10 10 VAL H H 10 8.302 8.302 7.916 0.386 19374 273 1 6 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.494 0.093 19374 274 1 6 . 1 1 11 11 TYR H H 11 7.683 7.683 7.023 0.660 19374 275 1 6 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.557 -0.006 19374 276 1 6 . 1 1 12 12 LEU H H 12 7.444 7.444 7.320 0.124 19374 277 1 6 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.413 0.008 19374 278 1 6 . 1 1 13 13 GLN H H 13 8.260 8.260 8.299 -0.039 19374 279 1 6 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.716 0.190 19374 280 1 6 . 1 1 14 14 CYS H H 14 9.123 9.123 8.263 0.860 19374 281 1 6 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.702 -0.073 19374 282 1 6 . 1 1 15 15 CYS H H 15 10.161 10.161 8.750 1.411 19374 283 1 6 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.526 0.094 19374 284 1 6 . 1 1 16 16 ASP H H 16 8.844 8.844 8.475 0.369 19374 285 1 6 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.236 0.384 19374 286 1 6 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.385 0.196 19374 287 1 6 . 1 1 18 18 TYR H H 18 8.372 8.372 6.924 1.448 19374 288 1 6 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.729 0.193 19374 289 1 6 . 1 1 19 19 HIS H H 19 9.330 9.330 7.642 1.688 19374 290 1 6 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.974 -0.140 19374 291 1 6 . 1 1 20 20 CYS H H 20 9.098 9.098 9.067 0.031 19374 292 1 6 . 1 1 21 21 THR HA H 21 4.070 4.070 4.467 -0.397 19374 293 1 6 . 1 1 21 21 THR H H 21 9.217 9.217 8.453 0.764 19374 294 1 6 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.759 0.002 19374 295 1 6 . 1 1 22 22 GLN H H 22 6.522 6.522 8.245 -1.723 19374 296 1 6 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.461 -0.401 19374 297 1 6 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.918 -0.011 19374 298 1 6 . 1 1 24 24 VAL H H 24 7.965 7.965 7.888 0.077 19374 299 1 6 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.414 -0.046 19374 300 1 6 . 1 1 25 25 ILE H H 25 7.525 7.525 7.273 0.252 19374 301 1 6 . 1 1 26 26 GLY H H 26 7.909 7.909 7.875 0.034 19374 302 1 6 . 1 1 27 27 GLY H H 27 8.342 8.342 7.889 0.453 19374 303 1 6 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.129 0.003 19374 304 1 6 . 1 1 28 28 ILE H H 28 8.239 8.239 8.110 0.129 19374 305 1 6 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.362 -0.484 19374 306 1 6 . 1 1 29 29 CYS H H 29 7.982 7.982 8.037 -0.055 19374 307 1 7 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.624 -0.013 19374 308 1 7 . 1 1 2 2 ALA H H 2 9.061 9.061 8.348 0.713 19374 309 1 7 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.366 -0.183 19374 310 1 7 . 1 1 3 3 GLN H H 3 7.995 7.995 8.540 -0.545 19374 311 1 7 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.921 0.871 19374 312 1 7 . 1 1 4 4 LYS H H 4 7.553 7.553 8.321 -0.768 19374 313 1 7 . 1 1 5 5 GLY H H 5 9.288 9.288 8.140 1.148 19374 314 1 7 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.525 -0.105 19374 315 1 7 . 1 1 6 6 GLU H H 6 7.874 7.874 7.506 0.368 19374 316 1 7 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.610 0.211 19374 317 1 7 . 1 1 7 7 TYR H H 7 7.923 7.923 8.372 -0.449 19374 318 1 7 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.665 0.204 19374 319 1 7 . 1 1 8 8 CYS H H 8 7.257 7.257 8.140 -0.883 19374 320 1 7 . 1 1 9 9 SER HA H 9 4.708 4.708 5.113 -0.405 19374 321 1 7 . 1 1 9 9 SER H H 9 8.833 8.833 8.460 0.373 19374 322 1 7 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.780 -0.026 19374 323 1 7 . 1 1 10 10 VAL H H 10 8.302 8.302 8.190 0.112 19374 324 1 7 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.506 0.081 19374 325 1 7 . 1 1 11 11 TYR H H 11 7.683 7.683 7.287 0.396 19374 326 1 7 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.469 0.082 19374 327 1 7 . 1 1 12 12 LEU H H 12 7.444 7.444 7.571 -0.127 19374 328 1 7 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.775 -0.354 19374 329 1 7 . 1 1 13 13 GLN H H 13 8.260 8.260 8.458 -0.198 19374 330 1 7 . 1 1 14 14 CYS HA H 14 4.906 4.906 5.061 -0.155 19374 331 1 7 . 1 1 14 14 CYS H H 14 9.123 9.123 8.625 0.498 19374 332 1 7 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.651 -0.022 19374 333 1 7 . 1 1 15 15 CYS H H 15 10.161 10.161 8.542 1.619 19374 334 1 7 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.813 -0.193 19374 335 1 7 . 1 1 16 16 ASP H H 16 8.844 8.844 8.499 0.345 19374 336 1 7 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.267 0.353 19374 337 1 7 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.036 0.545 19374 338 1 7 . 1 1 18 18 TYR H H 18 8.372 8.372 7.159 1.213 19374 339 1 7 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.960 -0.039 19374 340 1 7 . 1 1 19 19 HIS H H 19 9.330 9.330 8.167 1.163 19374 341 1 7 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.564 0.270 19374 342 1 7 . 1 1 20 20 CYS H H 20 9.098 9.098 8.985 0.113 19374 343 1 7 . 1 1 21 21 THR HA H 21 4.070 4.070 4.269 -0.199 19374 344 1 7 . 1 1 21 21 THR H H 21 9.217 9.217 8.758 0.459 19374 345 1 7 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.795 -0.034 19374 346 1 7 . 1 1 22 22 GLN H H 22 6.522 6.522 8.140 -1.618 19374 347 1 7 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.560 -0.500 19374 348 1 7 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.939 -0.032 19374 349 1 7 . 1 1 24 24 VAL H H 24 7.965 7.965 7.871 0.094 19374 350 1 7 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.480 -0.112 19374 351 1 7 . 1 1 25 25 ILE H H 25 7.525 7.525 7.483 0.042 19374 352 1 7 . 1 1 26 26 GLY H H 26 7.909 7.909 7.561 0.348 19374 353 1 7 . 1 1 27 27 GLY H H 27 8.342 8.342 7.608 0.734 19374 354 1 7 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.221 -0.089 19374 355 1 7 . 1 1 28 28 ILE H H 28 8.239 8.239 8.034 0.205 19374 356 1 7 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.240 -0.362 19374 357 1 7 . 1 1 29 29 CYS H H 29 7.982 7.982 8.135 -0.153 19374 358 1 8 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.740 -0.129 19374 359 1 8 . 1 1 2 2 ALA H H 2 9.061 9.061 8.154 0.907 19374 360 1 8 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.458 -0.275 19374 361 1 8 . 1 1 3 3 GLN H H 3 7.995 7.995 8.498 -0.503 19374 362 1 8 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.711 1.081 19374 363 1 8 . 1 1 4 4 LYS H H 4 7.553 7.553 7.589 -0.036 19374 364 1 8 . 1 1 5 5 GLY H H 5 9.288 9.288 8.191 1.097 19374 365 1 8 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.553 -0.133 19374 366 1 8 . 1 1 6 6 GLU H H 6 7.874 7.874 7.532 0.342 19374 367 1 8 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.514 0.307 19374 368 1 8 . 1 1 7 7 TYR H H 7 7.923 7.923 8.403 -0.480 19374 369 1 8 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.487 0.382 19374 370 1 8 . 1 1 8 8 CYS H H 8 7.257 7.257 7.798 -0.541 19374 371 1 8 . 1 1 9 9 SER HA H 9 4.708 4.708 4.795 -0.087 19374 372 1 8 . 1 1 9 9 SER H H 9 8.833 8.833 7.999 0.834 19374 373 1 8 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.754 0.000 19374 374 1 8 . 1 1 10 10 VAL H H 10 8.302 8.302 8.015 0.287 19374 375 1 8 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.501 0.086 19374 376 1 8 . 1 1 11 11 TYR H H 11 7.683 7.683 7.040 0.643 19374 377 1 8 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.586 -0.035 19374 378 1 8 . 1 1 12 12 LEU H H 12 7.444 7.444 7.362 0.082 19374 379 1 8 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.387 0.034 19374 380 1 8 . 1 1 13 13 GLN H H 13 8.260 8.260 8.260 0.000 19374 381 1 8 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.730 0.176 19374 382 1 8 . 1 1 14 14 CYS H H 14 9.123 9.123 8.352 0.771 19374 383 1 8 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.675 -0.046 19374 384 1 8 . 1 1 15 15 CYS H H 15 10.161 10.161 8.738 1.423 19374 385 1 8 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.550 0.070 19374 386 1 8 . 1 1 16 16 ASP H H 16 8.844 8.844 8.593 0.251 19374 387 1 8 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.285 0.335 19374 388 1 8 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.136 0.445 19374 389 1 8 . 1 1 18 18 TYR H H 18 8.372 8.372 6.981 1.391 19374 390 1 8 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.747 0.174 19374 391 1 8 . 1 1 19 19 HIS H H 19 9.330 9.330 7.623 1.707 19374 392 1 8 . 1 1 20 20 CYS HA H 20 4.834 4.834 5.006 -0.172 19374 393 1 8 . 1 1 20 20 CYS H H 20 9.098 9.098 8.991 0.107 19374 394 1 8 . 1 1 21 21 THR HA H 21 4.070 4.070 4.519 -0.449 19374 395 1 8 . 1 1 21 21 THR H H 21 9.217 9.217 8.450 0.767 19374 396 1 8 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.701 0.060 19374 397 1 8 . 1 1 22 22 GLN H H 22 6.522 6.522 7.677 -1.155 19374 398 1 8 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.243 -0.183 19374 399 1 8 . 1 1 24 24 VAL HA H 24 3.907 3.907 4.036 -0.129 19374 400 1 8 . 1 1 24 24 VAL H H 24 7.965 7.965 7.649 0.316 19374 401 1 8 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.374 -0.006 19374 402 1 8 . 1 1 25 25 ILE H H 25 7.525 7.525 7.788 -0.263 19374 403 1 8 . 1 1 26 26 GLY H H 26 7.909 7.909 7.831 0.078 19374 404 1 8 . 1 1 27 27 GLY H H 27 8.342 8.342 8.412 -0.070 19374 405 1 8 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.190 -0.058 19374 406 1 8 . 1 1 28 28 ILE H H 28 8.239 8.239 8.096 0.143 19374 407 1 8 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.325 -0.447 19374 408 1 8 . 1 1 29 29 CYS H H 29 7.982 7.982 8.051 -0.069 19374 409 1 9 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.708 -0.097 19374 410 1 9 . 1 1 2 2 ALA H H 2 9.061 9.061 8.289 0.772 19374 411 1 9 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.455 -0.272 19374 412 1 9 . 1 1 3 3 GLN H H 3 7.995 7.995 8.477 -0.482 19374 413 1 9 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.656 1.136 19374 414 1 9 . 1 1 4 4 LYS H H 4 7.553 7.553 7.734 -0.181 19374 415 1 9 . 1 1 5 5 GLY H H 5 9.288 9.288 7.886 1.402 19374 416 1 9 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.556 -0.136 19374 417 1 9 . 1 1 6 6 GLU H H 6 7.874 7.874 7.552 0.322 19374 418 1 9 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.437 0.384 19374 419 1 9 . 1 1 7 7 TYR H H 7 7.923 7.923 8.434 -0.511 19374 420 1 9 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.751 0.118 19374 421 1 9 . 1 1 8 8 CYS H H 8 7.257 7.257 8.476 -1.219 19374 422 1 9 . 1 1 9 9 SER HA H 9 4.708 4.708 4.950 -0.242 19374 423 1 9 . 1 1 9 9 SER H H 9 8.833 8.833 8.122 0.711 19374 424 1 9 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.865 -0.111 19374 425 1 9 . 1 1 10 10 VAL H H 10 8.302 8.302 7.908 0.394 19374 426 1 9 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.577 0.010 19374 427 1 9 . 1 1 11 11 TYR H H 11 7.683 7.683 7.010 0.673 19374 428 1 9 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.642 -0.091 19374 429 1 9 . 1 1 12 12 LEU H H 12 7.444 7.444 6.925 0.519 19374 430 1 9 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.533 -0.112 19374 431 1 9 . 1 1 13 13 GLN H H 13 8.260 8.260 8.180 0.080 19374 432 1 9 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.754 0.152 19374 433 1 9 . 1 1 14 14 CYS H H 14 9.123 9.123 8.347 0.776 19374 434 1 9 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.601 0.028 19374 435 1 9 . 1 1 15 15 CYS H H 15 10.161 10.161 8.713 1.448 19374 436 1 9 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.556 0.064 19374 437 1 9 . 1 1 16 16 ASP H H 16 8.844 8.844 8.596 0.248 19374 438 1 9 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.291 0.329 19374 439 1 9 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.342 0.239 19374 440 1 9 . 1 1 18 18 TYR H H 18 8.372 8.372 6.906 1.466 19374 441 1 9 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.775 0.146 19374 442 1 9 . 1 1 19 19 HIS H H 19 9.330 9.330 7.399 1.931 19374 443 1 9 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.946 -0.112 19374 444 1 9 . 1 1 20 20 CYS H H 20 9.098 9.098 9.058 0.040 19374 445 1 9 . 1 1 21 21 THR HA H 21 4.070 4.070 4.447 -0.377 19374 446 1 9 . 1 1 21 21 THR H H 21 9.217 9.217 8.441 0.776 19374 447 1 9 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.757 0.004 19374 448 1 9 . 1 1 22 22 GLN H H 22 6.522 6.522 8.124 -1.602 19374 449 1 9 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.511 -0.451 19374 450 1 9 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.987 -0.080 19374 451 1 9 . 1 1 24 24 VAL H H 24 7.965 7.965 7.855 0.110 19374 452 1 9 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.478 -0.110 19374 453 1 9 . 1 1 25 25 ILE H H 25 7.525 7.525 7.557 -0.032 19374 454 1 9 . 1 1 26 26 GLY H H 26 7.909 7.909 7.900 0.009 19374 455 1 9 . 1 1 27 27 GLY H H 27 8.342 8.342 7.840 0.502 19374 456 1 9 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.074 0.058 19374 457 1 9 . 1 1 28 28 ILE H H 28 8.239 8.239 8.031 0.208 19374 458 1 9 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.344 -0.466 19374 459 1 9 . 1 1 29 29 CYS H H 29 7.982 7.982 8.027 -0.045 19374 460 1 10 . 1 1 2 2 ALA HA H 2 4.611 4.611 4.648 -0.037 19374 461 1 10 . 1 1 2 2 ALA H H 2 9.061 9.061 8.001 1.060 19374 462 1 10 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.502 -0.319 19374 463 1 10 . 1 1 3 3 GLN H H 3 7.995 7.995 8.666 -0.671 19374 464 1 10 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.755 1.037 19374 465 1 10 . 1 1 4 4 LYS H H 4 7.553 7.553 7.359 0.194 19374 466 1 10 . 1 1 5 5 GLY H H 5 9.288 9.288 8.382 0.906 19374 467 1 10 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.531 -0.111 19374 468 1 10 . 1 1 6 6 GLU H H 6 7.874 7.874 7.469 0.405 19374 469 1 10 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.620 0.201 19374 470 1 10 . 1 1 7 7 TYR H H 7 7.923 7.923 8.541 -0.618 19374 471 1 10 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.848 0.021 19374 472 1 10 . 1 1 8 8 CYS H H 8 7.257 7.257 8.441 -1.184 19374 473 1 10 . 1 1 9 9 SER HA H 9 4.708 4.708 5.014 -0.306 19374 474 1 10 . 1 1 9 9 SER H H 9 8.833 8.833 8.225 0.608 19374 475 1 10 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.720 0.034 19374 476 1 10 . 1 1 10 10 VAL H H 10 8.302 8.302 8.148 0.154 19374 477 1 10 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.489 0.098 19374 478 1 10 . 1 1 11 11 TYR H H 11 7.683 7.683 7.046 0.637 19374 479 1 10 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.475 0.076 19374 480 1 10 . 1 1 12 12 LEU H H 12 7.444 7.444 7.443 0.001 19374 481 1 10 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.240 0.181 19374 482 1 10 . 1 1 13 13 GLN H H 13 8.260 8.260 7.903 0.357 19374 483 1 10 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.835 0.071 19374 484 1 10 . 1 1 14 14 CYS H H 14 9.123 9.123 8.333 0.790 19374 485 1 10 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.683 -0.054 19374 486 1 10 . 1 1 15 15 CYS H H 15 10.161 10.161 8.730 1.431 19374 487 1 10 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.574 0.046 19374 488 1 10 . 1 1 16 16 ASP H H 16 8.844 8.844 8.603 0.241 19374 489 1 10 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.301 0.319 19374 490 1 10 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.331 0.250 19374 491 1 10 . 1 1 18 18 TYR H H 18 8.372 8.372 6.984 1.388 19374 492 1 10 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.818 0.103 19374 493 1 10 . 1 1 19 19 HIS H H 19 9.330 9.330 7.490 1.840 19374 494 1 10 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.871 -0.037 19374 495 1 10 . 1 1 20 20 CYS H H 20 9.098 9.098 9.132 -0.034 19374 496 1 10 . 1 1 21 21 THR HA H 21 4.070 4.070 4.388 -0.318 19374 497 1 10 . 1 1 21 21 THR H H 21 9.217 9.217 8.894 0.323 19374 498 1 10 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.769 -0.008 19374 499 1 10 . 1 1 22 22 GLN H H 22 6.522 6.522 7.820 -1.298 19374 500 1 10 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.215 -0.155 19374 501 1 10 . 1 1 24 24 VAL HA H 24 3.907 3.907 4.039 -0.132 19374 502 1 10 . 1 1 24 24 VAL H H 24 7.965 7.965 7.982 -0.017 19374 503 1 10 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.386 -0.018 19374 504 1 10 . 1 1 25 25 ILE H H 25 7.525 7.525 7.278 0.247 19374 505 1 10 . 1 1 26 26 GLY H H 26 7.909 7.909 7.536 0.373 19374 506 1 10 . 1 1 27 27 GLY H H 27 8.342 8.342 7.497 0.845 19374 507 1 10 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.237 -0.105 19374 508 1 10 . 1 1 28 28 ILE H H 28 8.239 8.239 8.166 0.073 19374 509 1 10 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.266 -0.388 19374 510 1 10 . 1 1 29 29 CYS H H 29 7.982 7.982 8.036 -0.054 19374 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 19374 2 1 1 "Average Difference" HA 31 0.393 -0.009 0.400 19374 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19374 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19374 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19374 6 1 1 "Average Difference" HN 26 0.730 -0.281 0.687 19374 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19374 8 1 2 "Average Difference" HA 31 0.403 0.011 0.410 19374 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19374 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19374 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19374 12 1 2 "Average Difference" HN 26 0.783 -0.255 0.754 19374 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19374 14 1 3 "Average Difference" HA 31 0.418 0.039 0.423 19374 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19374 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19374 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19374 18 1 3 "Average Difference" HN 26 0.719 -0.208 0.702 19374 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19374 20 1 4 "Average Difference" HA 31 0.375 -0.025 0.381 19374 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19374 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19374 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19374 24 1 4 "Average Difference" HN 26 0.776 -0.258 0.747 19374 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19374 26 1 5 "Average Difference" HA 31 0.430 0.057 0.433 19374 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19374 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19374 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19374 30 1 5 "Average Difference" HN 26 0.696 -0.240 0.666 19374 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19374 32 1 6 "Average Difference" HA 31 0.423 -0.001 0.430 19374 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19374 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19374 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19374 36 1 6 "Average Difference" HN 26 0.789 -0.326 0.733 19374 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19374 38 1 7 "Average Difference" HA 31 0.406 0.030 0.411 19374 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19374 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19374 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19374 42 1 7 "Average Difference" HN 26 0.723 -0.200 0.708 19374 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19374 44 1 8 "Average Difference" HA 31 0.415 -0.013 0.421 19374 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19374 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19374 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19374 48 1 8 "Average Difference" HN 26 0.728 -0.309 0.673 19374 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19374 50 1 9 "Average Difference" HA 31 0.388 0.015 0.394 19374 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19374 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19374 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19374 54 1 9 "Average Difference" HN 26 0.836 -0.320 0.788 19374 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19374 56 1 10 "Average Difference" HA 31 0.381 0.003 0.388 19374 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19374 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19374 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19374 60 1 10 "Average Difference" HN 26 0.786 -0.308 0.738 19374 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 19374 _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 ALA HA H 2 4.611 4.611 4.677 -0.066 19374 2 1 . 1 1 2 2 ALA H H 2 9.061 9.061 8.247 0.814 19374 3 1 . 1 1 3 3 GLN HA H 3 4.183 4.183 4.442 -0.259 19374 4 1 . 1 1 3 3 GLN H H 3 7.995 7.995 8.545 -0.550 19374 5 1 . 1 1 4 4 LYS HA H 4 4.792 4.792 3.743 1.049 19374 6 1 . 1 1 4 4 LYS H H 4 7.553 7.553 7.590 -0.037 19374 7 1 . 1 1 5 5 GLY H H 5 9.288 9.288 8.220 1.068 19374 8 1 . 1 1 6 6 GLU HA H 6 4.420 4.420 4.551 -0.131 19374 9 1 . 1 1 6 6 GLU H H 6 7.874 7.874 7.473 0.401 19374 10 1 . 1 1 7 7 TYR HA H 7 4.821 4.821 4.562 0.259 19374 11 1 . 1 1 7 7 TYR H H 7 7.923 7.923 8.447 -0.524 19374 12 1 . 1 1 8 8 CYS HA H 8 4.869 4.869 4.730 0.139 19374 13 1 . 1 1 8 8 CYS H H 8 7.257 7.257 8.190 -0.933 19374 14 1 . 1 1 9 9 SER HA H 9 4.708 4.708 4.936 -0.228 19374 15 1 . 1 1 9 9 SER H H 9 8.833 8.833 8.325 0.508 19374 16 1 . 1 1 10 10 VAL HA H 10 3.754 3.754 3.769 -0.015 19374 17 1 . 1 1 10 10 VAL H H 10 8.302 8.302 8.126 0.176 19374 18 1 . 1 1 11 11 TYR HA H 11 4.587 4.587 4.536 0.051 19374 19 1 . 1 1 11 11 TYR H H 11 7.683 7.683 7.152 0.531 19374 20 1 . 1 1 12 12 LEU HA H 12 4.551 4.551 4.552 -0.001 19374 21 1 . 1 1 12 12 LEU H H 12 7.444 7.444 7.443 0.001 19374 22 1 . 1 1 13 13 GLN HA H 13 4.421 4.421 4.526 -0.105 19374 23 1 . 1 1 13 13 GLN H H 13 8.260 8.260 8.201 0.059 19374 24 1 . 1 1 14 14 CYS HA H 14 4.906 4.906 4.912 -0.006 19374 25 1 . 1 1 14 14 CYS H H 14 9.123 9.123 8.444 0.679 19374 26 1 . 1 1 15 15 CYS HA H 15 4.629 4.629 4.688 -0.060 19374 27 1 . 1 1 15 15 CYS H H 15 10.161 10.161 8.679 1.482 19374 28 1 . 1 1 16 16 ASP HA H 16 4.620 4.620 4.603 0.017 19374 29 1 . 1 1 16 16 ASP H H 16 8.844 8.844 8.556 0.288 19374 30 1 . 1 1 17 17 PRO HA H 17 4.620 4.620 4.292 0.328 19374 31 1 . 1 1 18 18 TYR HA H 18 4.581 4.581 4.224 0.357 19374 32 1 . 1 1 18 18 TYR H H 18 8.372 8.372 7.009 1.363 19374 33 1 . 1 1 19 19 HIS HA H 19 4.921 4.921 4.806 0.115 19374 34 1 . 1 1 19 19 HIS H H 19 9.330 9.330 7.680 1.650 19374 35 1 . 1 1 20 20 CYS HA H 20 4.834 4.834 4.811 0.023 19374 36 1 . 1 1 20 20 CYS H H 20 9.098 9.098 8.997 0.101 19374 37 1 . 1 1 21 21 THR HA H 21 4.070 4.070 4.377 -0.307 19374 38 1 . 1 1 21 21 THR H H 21 9.217 9.217 8.725 0.492 19374 39 1 . 1 1 22 22 GLN HA H 22 4.761 4.761 4.775 -0.014 19374 40 1 . 1 1 22 22 GLN H H 22 6.522 6.522 8.018 -1.496 19374 41 1 . 1 1 23 23 PRO HA H 23 4.060 4.060 4.476 -0.416 19374 42 1 . 1 1 24 24 VAL HA H 24 3.907 3.907 3.996 -0.089 19374 43 1 . 1 1 24 24 VAL H H 24 7.965 7.965 7.889 0.076 19374 44 1 . 1 1 25 25 ILE HA H 25 4.368 4.368 4.467 -0.099 19374 45 1 . 1 1 25 25 ILE H H 25 7.525 7.525 7.495 0.030 19374 46 1 . 1 1 26 26 GLY H H 26 7.909 7.909 7.761 0.148 19374 47 1 . 1 1 27 27 GLY H H 27 8.342 8.342 7.738 0.604 19374 48 1 . 1 1 28 28 ILE HA H 28 5.132 5.132 5.180 -0.048 19374 49 1 . 1 1 28 28 ILE H H 28 8.239 8.239 8.077 0.162 19374 50 1 . 1 1 29 29 CYS HA H 29 4.878 4.878 5.283 -0.405 19374 51 1 . 1 1 29 29 CYS H H 29 7.982 7.982 8.045 -0.063 19374 stop_ save_