data_25948 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25948 _Entry.PDB_ID 2NAV 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 25948 _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 GLY H H 2 8.944 8.944 8.443 0.501 25948 2 1 1 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.335 0.065 25948 3 1 1 . 1 1 3 3 GLU H H 3 8.773 8.773 8.506 0.267 25948 4 1 1 . 1 1 4 4 GLY H H 4 8.650 8.650 8.578 0.072 25948 5 1 1 . 1 1 5 5 THR HA H 5 4.278 4.278 4.225 0.053 25948 6 1 1 . 1 1 5 5 THR H H 5 8.104 8.104 7.625 0.479 25948 7 1 1 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.761 -0.125 25948 8 1 1 . 1 1 6 6 PHE H H 6 8.457 8.457 8.489 -0.032 25948 9 1 1 . 1 1 7 7 THR HA H 7 4.267 4.267 4.432 -0.165 25948 10 1 1 . 1 1 7 7 THR H H 7 8.127 8.127 8.318 -0.191 25948 11 1 1 . 1 1 8 8 SER HA H 8 4.363 4.363 4.187 0.176 25948 12 1 1 . 1 1 8 8 SER H H 8 8.355 8.355 7.570 0.785 25948 13 1 1 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.787 -0.120 25948 14 1 1 . 1 1 9 9 ASP H H 9 8.589 8.589 7.605 0.984 25948 15 1 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.188 0.422 25948 16 1 1 . 1 1 10 10 CYS H H 10 8.578 8.578 8.837 -0.259 25948 17 1 1 . 1 1 11 11 SER HA H 11 4.102 4.102 4.106 -0.004 25948 18 1 1 . 1 1 11 11 SER H H 11 8.492 8.492 8.787 -0.295 25948 19 1 1 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.158 -0.053 25948 20 1 1 . 1 1 12 12 LYS H H 12 7.752 7.752 7.789 -0.037 25948 21 1 1 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.171 -0.227 25948 22 1 1 . 1 1 13 13 GLN H H 13 8.230 8.230 8.398 -0.168 25948 23 1 1 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.179 0.335 25948 24 1 1 . 1 1 14 14 CYS H H 14 8.716 8.716 8.480 0.236 25948 25 1 1 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.158 0.116 25948 26 1 1 . 1 1 15 15 GLU H H 15 7.885 7.885 8.279 -0.394 25948 27 1 1 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.261 0.045 25948 28 1 1 . 1 1 16 16 GLU H H 16 7.962 7.962 7.989 -0.027 25948 29 1 1 . 1 1 17 17 GLY H H 17 7.994 7.994 7.797 0.197 25948 30 1 1 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.530 -0.188 25948 31 1 1 . 1 1 18 18 ILE H H 18 7.936 7.936 8.215 -0.279 25948 32 1 1 . 1 1 19 19 GLY H H 19 8.643 8.643 8.587 0.056 25948 33 1 1 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.376 0.114 25948 34 1 1 . 1 1 20 20 HIS H H 20 8.409 8.409 7.939 0.470 25948 35 1 1 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.556 0.517 25948 36 1 1 . 1 1 21 21 LYS H H 21 7.977 7.977 8.433 -0.456 25948 37 1 1 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.312 0.416 25948 38 1 1 . 1 1 22 22 TYR H H 22 8.145 8.145 7.275 0.870 25948 39 1 1 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.249 -0.017 25948 40 1 1 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.877 -0.398 25948 41 1 1 . 1 1 24 24 PHE H H 24 7.487 7.487 6.761 0.726 25948 42 1 1 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.838 -0.009 25948 43 1 1 . 1 1 25 25 CYS H H 25 7.692 7.692 7.519 0.173 25948 44 1 1 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.791 -0.142 25948 45 1 1 . 1 1 26 26 HIS H H 26 8.651 8.651 8.878 -0.227 25948 46 1 1 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.806 -0.112 25948 47 1 1 . 1 1 27 27 CYS H H 27 8.739 8.739 9.019 -0.280 25948 48 1 2 . 1 1 2 2 GLY H H 2 8.944 8.944 8.527 0.417 25948 49 1 2 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.377 0.023 25948 50 1 2 . 1 1 3 3 GLU H H 3 8.773 8.773 8.509 0.264 25948 51 1 2 . 1 1 4 4 GLY H H 4 8.650 8.650 8.583 0.067 25948 52 1 2 . 1 1 5 5 THR HA H 5 4.278 4.278 4.336 -0.058 25948 53 1 2 . 1 1 5 5 THR H H 5 8.104 8.104 8.127 -0.023 25948 54 1 2 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.769 -0.133 25948 55 1 2 . 1 1 6 6 PHE H H 6 8.457 8.457 7.972 0.485 25948 56 1 2 . 1 1 7 7 THR HA H 7 4.267 4.267 4.737 -0.470 25948 57 1 2 . 1 1 7 7 THR H H 7 8.127 8.127 8.467 -0.340 25948 58 1 2 . 1 1 8 8 SER HA H 8 4.363 4.363 4.491 -0.128 25948 59 1 2 . 1 1 8 8 SER H H 8 8.355 8.355 8.182 0.173 25948 60 1 2 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.736 -0.069 25948 61 1 2 . 1 1 9 9 ASP H H 9 8.589 8.589 7.529 1.060 25948 62 1 2 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.194 0.416 25948 63 1 2 . 1 1 10 10 CYS H H 10 8.578 8.578 8.938 -0.360 25948 64 1 2 . 1 1 11 11 SER HA H 11 4.102 4.102 4.172 -0.070 25948 65 1 2 . 1 1 11 11 SER H H 11 8.492 8.492 8.074 0.418 25948 66 1 2 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.012 0.093 25948 67 1 2 . 1 1 12 12 LYS H H 12 7.752 7.752 8.236 -0.484 25948 68 1 2 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.168 -0.224 25948 69 1 2 . 1 1 13 13 GLN H H 13 8.230 8.230 8.350 -0.120 25948 70 1 2 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.213 0.301 25948 71 1 2 . 1 1 14 14 CYS H H 14 8.716 8.716 7.841 0.875 25948 72 1 2 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.024 0.250 25948 73 1 2 . 1 1 15 15 GLU H H 15 7.885 7.885 8.436 -0.551 25948 74 1 2 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.165 0.141 25948 75 1 2 . 1 1 16 16 GLU H H 16 7.962 7.962 8.552 -0.590 25948 76 1 2 . 1 1 17 17 GLY H H 17 7.994 7.994 7.698 0.296 25948 77 1 2 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.225 0.117 25948 78 1 2 . 1 1 18 18 ILE H H 18 7.936 7.936 8.484 -0.548 25948 79 1 2 . 1 1 19 19 GLY H H 19 8.643 8.643 8.571 0.072 25948 80 1 2 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.524 -0.034 25948 81 1 2 . 1 1 20 20 HIS H H 20 8.409 8.409 7.785 0.624 25948 82 1 2 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.707 0.366 25948 83 1 2 . 1 1 21 21 LYS H H 21 7.977 7.977 8.448 -0.471 25948 84 1 2 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.326 0.402 25948 85 1 2 . 1 1 22 22 TYR H H 22 8.145 8.145 7.339 0.806 25948 86 1 2 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.391 -0.159 25948 87 1 2 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.805 -0.326 25948 88 1 2 . 1 1 24 24 PHE H H 24 7.487 7.487 7.058 0.429 25948 89 1 2 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.792 0.037 25948 90 1 2 . 1 1 25 25 CYS H H 25 7.692 7.692 7.350 0.342 25948 91 1 2 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.645 0.004 25948 92 1 2 . 1 1 26 26 HIS H H 26 8.651 8.651 8.782 -0.131 25948 93 1 2 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.666 0.028 25948 94 1 2 . 1 1 27 27 CYS H H 27 8.739 8.739 8.617 0.122 25948 95 1 3 . 1 1 2 2 GLY H H 2 8.944 8.944 8.075 0.869 25948 96 1 3 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.487 -0.087 25948 97 1 3 . 1 1 3 3 GLU H H 3 8.773 8.773 8.378 0.395 25948 98 1 3 . 1 1 4 4 GLY H H 4 8.650 8.650 8.724 -0.074 25948 99 1 3 . 1 1 5 5 THR HA H 5 4.278 4.278 4.037 0.241 25948 100 1 3 . 1 1 5 5 THR H H 5 8.104 8.104 8.061 0.043 25948 101 1 3 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.709 -0.073 25948 102 1 3 . 1 1 6 6 PHE H H 6 8.457 8.457 7.809 0.648 25948 103 1 3 . 1 1 7 7 THR HA H 7 4.267 4.267 3.960 0.307 25948 104 1 3 . 1 1 7 7 THR H H 7 8.127 8.127 8.203 -0.076 25948 105 1 3 . 1 1 8 8 SER HA H 8 4.363 4.363 4.450 -0.087 25948 106 1 3 . 1 1 8 8 SER H H 8 8.355 8.355 7.928 0.427 25948 107 1 3 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.593 0.074 25948 108 1 3 . 1 1 9 9 ASP H H 9 8.589 8.589 7.626 0.963 25948 109 1 3 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.148 0.462 25948 110 1 3 . 1 1 10 10 CYS H H 10 8.578 8.578 8.880 -0.302 25948 111 1 3 . 1 1 11 11 SER HA H 11 4.102 4.102 4.156 -0.054 25948 112 1 3 . 1 1 11 11 SER H H 11 8.492 8.492 9.267 -0.775 25948 113 1 3 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.164 -0.059 25948 114 1 3 . 1 1 12 12 LYS H H 12 7.752 7.752 7.503 0.249 25948 115 1 3 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.203 -0.259 25948 116 1 3 . 1 1 13 13 GLN H H 13 8.230 8.230 7.980 0.250 25948 117 1 3 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.548 -0.034 25948 118 1 3 . 1 1 14 14 CYS H H 14 8.716 8.716 7.812 0.904 25948 119 1 3 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.210 0.064 25948 120 1 3 . 1 1 15 15 GLU H H 15 7.885 7.885 8.078 -0.193 25948 121 1 3 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.350 -0.044 25948 122 1 3 . 1 1 16 16 GLU H H 16 7.962 7.962 8.041 -0.079 25948 123 1 3 . 1 1 17 17 GLY H H 17 7.994 7.994 7.737 0.257 25948 124 1 3 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.419 -0.077 25948 125 1 3 . 1 1 18 18 ILE H H 18 7.936 7.936 8.572 -0.636 25948 126 1 3 . 1 1 19 19 GLY H H 19 8.643 8.643 8.681 -0.038 25948 127 1 3 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.500 -0.010 25948 128 1 3 . 1 1 20 20 HIS H H 20 8.409 8.409 7.628 0.781 25948 129 1 3 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.684 0.389 25948 130 1 3 . 1 1 21 21 LYS H H 21 7.977 7.977 8.403 -0.426 25948 131 1 3 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.236 0.492 25948 132 1 3 . 1 1 22 22 TYR H H 22 8.145 8.145 7.510 0.635 25948 133 1 3 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.147 0.085 25948 134 1 3 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.764 -0.285 25948 135 1 3 . 1 1 24 24 PHE H H 24 7.487 7.487 6.672 0.815 25948 136 1 3 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.786 0.043 25948 137 1 3 . 1 1 25 25 CYS H H 25 7.692 7.692 7.384 0.308 25948 138 1 3 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.840 -0.191 25948 139 1 3 . 1 1 26 26 HIS H H 26 8.651 8.651 8.242 0.409 25948 140 1 3 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.685 0.009 25948 141 1 3 . 1 1 27 27 CYS H H 27 8.739 8.739 8.909 -0.170 25948 142 1 4 . 1 1 2 2 GLY H H 2 8.944 8.944 8.561 0.383 25948 143 1 4 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.608 -0.208 25948 144 1 4 . 1 1 3 3 GLU H H 3 8.773 8.773 8.014 0.759 25948 145 1 4 . 1 1 4 4 GLY H H 4 8.650 8.650 8.421 0.229 25948 146 1 4 . 1 1 5 5 THR HA H 5 4.278 4.278 4.302 -0.024 25948 147 1 4 . 1 1 5 5 THR H H 5 8.104 8.104 8.082 0.022 25948 148 1 4 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.670 -0.034 25948 149 1 4 . 1 1 6 6 PHE H H 6 8.457 8.457 7.950 0.507 25948 150 1 4 . 1 1 7 7 THR HA H 7 4.267 4.267 4.503 -0.236 25948 151 1 4 . 1 1 7 7 THR H H 7 8.127 8.127 8.238 -0.111 25948 152 1 4 . 1 1 8 8 SER HA H 8 4.363 4.363 4.289 0.074 25948 153 1 4 . 1 1 8 8 SER H H 8 8.355 8.355 7.034 1.321 25948 154 1 4 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.865 -0.198 25948 155 1 4 . 1 1 9 9 ASP H H 9 8.589 8.589 7.826 0.763 25948 156 1 4 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.440 0.170 25948 157 1 4 . 1 1 10 10 CYS H H 10 8.578 8.578 8.909 -0.331 25948 158 1 4 . 1 1 11 11 SER HA H 11 4.102 4.102 4.266 -0.164 25948 159 1 4 . 1 1 11 11 SER H H 11 8.492 8.492 8.742 -0.250 25948 160 1 4 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.130 -0.025 25948 161 1 4 . 1 1 12 12 LYS H H 12 7.752 7.752 7.709 0.043 25948 162 1 4 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.036 -0.092 25948 163 1 4 . 1 1 13 13 GLN H H 13 8.230 8.230 8.020 0.210 25948 164 1 4 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.391 0.123 25948 165 1 4 . 1 1 14 14 CYS H H 14 8.716 8.716 8.287 0.429 25948 166 1 4 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.108 0.166 25948 167 1 4 . 1 1 15 15 GLU H H 15 7.885 7.885 7.903 -0.018 25948 168 1 4 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.315 -0.009 25948 169 1 4 . 1 1 16 16 GLU H H 16 7.962 7.962 8.270 -0.308 25948 170 1 4 . 1 1 17 17 GLY H H 17 7.994 7.994 7.698 0.296 25948 171 1 4 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.389 -0.047 25948 172 1 4 . 1 1 18 18 ILE H H 18 7.936 7.936 8.618 -0.682 25948 173 1 4 . 1 1 19 19 GLY H H 19 8.643 8.643 8.678 -0.035 25948 174 1 4 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.323 0.167 25948 175 1 4 . 1 1 20 20 HIS H H 20 8.409 8.409 7.917 0.492 25948 176 1 4 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.594 0.479 25948 177 1 4 . 1 1 21 21 LYS H H 21 7.977 7.977 8.435 -0.458 25948 178 1 4 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.391 0.337 25948 179 1 4 . 1 1 22 22 TYR H H 22 8.145 8.145 7.250 0.895 25948 180 1 4 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.169 0.063 25948 181 1 4 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.833 -0.354 25948 182 1 4 . 1 1 24 24 PHE H H 24 7.487 7.487 6.715 0.772 25948 183 1 4 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.886 -0.057 25948 184 1 4 . 1 1 25 25 CYS H H 25 7.692 7.692 7.604 0.088 25948 185 1 4 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.759 -0.110 25948 186 1 4 . 1 1 26 26 HIS H H 26 8.651 8.651 9.095 -0.444 25948 187 1 4 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.583 0.111 25948 188 1 4 . 1 1 27 27 CYS H H 27 8.739 8.739 9.081 -0.342 25948 189 1 5 . 1 1 2 2 GLY H H 2 8.944 8.944 8.610 0.334 25948 190 1 5 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.444 -0.044 25948 191 1 5 . 1 1 3 3 GLU H H 3 8.773 8.773 7.843 0.930 25948 192 1 5 . 1 1 4 4 GLY H H 4 8.650 8.650 8.544 0.106 25948 193 1 5 . 1 1 5 5 THR HA H 5 4.278 4.278 4.231 0.047 25948 194 1 5 . 1 1 5 5 THR H H 5 8.104 8.104 8.050 0.054 25948 195 1 5 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.723 -0.087 25948 196 1 5 . 1 1 6 6 PHE H H 6 8.457 8.457 7.858 0.599 25948 197 1 5 . 1 1 7 7 THR HA H 7 4.267 4.267 4.208 0.059 25948 198 1 5 . 1 1 7 7 THR H H 7 8.127 8.127 8.569 -0.442 25948 199 1 5 . 1 1 8 8 SER HA H 8 4.363 4.363 4.146 0.217 25948 200 1 5 . 1 1 8 8 SER H H 8 8.355 8.355 7.350 1.005 25948 201 1 5 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.823 -0.156 25948 202 1 5 . 1 1 9 9 ASP H H 9 8.589 8.589 7.238 1.351 25948 203 1 5 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.328 0.282 25948 204 1 5 . 1 1 10 10 CYS H H 10 8.578 8.578 8.922 -0.344 25948 205 1 5 . 1 1 11 11 SER HA H 11 4.102 4.102 4.231 -0.129 25948 206 1 5 . 1 1 11 11 SER H H 11 8.492 8.492 8.835 -0.343 25948 207 1 5 . 1 1 12 12 LYS HA H 12 4.105 4.105 3.957 0.148 25948 208 1 5 . 1 1 12 12 LYS H H 12 7.752 7.752 7.501 0.251 25948 209 1 5 . 1 1 13 13 GLN HA H 13 3.944 3.944 3.990 -0.046 25948 210 1 5 . 1 1 13 13 GLN H H 13 8.230 8.230 7.959 0.271 25948 211 1 5 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.224 0.290 25948 212 1 5 . 1 1 14 14 CYS H H 14 8.716 8.716 7.952 0.764 25948 213 1 5 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.063 0.211 25948 214 1 5 . 1 1 15 15 GLU H H 15 7.885 7.885 7.989 -0.104 25948 215 1 5 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.246 0.060 25948 216 1 5 . 1 1 16 16 GLU H H 16 7.962 7.962 8.325 -0.363 25948 217 1 5 . 1 1 17 17 GLY H H 17 7.994 7.994 7.683 0.311 25948 218 1 5 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.328 0.014 25948 219 1 5 . 1 1 18 18 ILE H H 18 7.936 7.936 8.325 -0.389 25948 220 1 5 . 1 1 19 19 GLY H H 19 8.643 8.643 8.450 0.193 25948 221 1 5 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.299 0.191 25948 222 1 5 . 1 1 20 20 HIS H H 20 8.409 8.409 8.070 0.339 25948 223 1 5 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.537 0.536 25948 224 1 5 . 1 1 21 21 LYS H H 21 7.977 7.977 8.441 -0.464 25948 225 1 5 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.505 0.223 25948 226 1 5 . 1 1 22 22 TYR H H 22 8.145 8.145 7.208 0.937 25948 227 1 5 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.264 -0.032 25948 228 1 5 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.927 -0.448 25948 229 1 5 . 1 1 24 24 PHE H H 24 7.487 7.487 6.651 0.836 25948 230 1 5 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.829 -0.000 25948 231 1 5 . 1 1 25 25 CYS H H 25 7.692 7.692 7.630 0.062 25948 232 1 5 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.799 -0.150 25948 233 1 5 . 1 1 26 26 HIS H H 26 8.651 8.651 8.684 -0.033 25948 234 1 5 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.715 -0.022 25948 235 1 5 . 1 1 27 27 CYS H H 27 8.739 8.739 8.833 -0.094 25948 236 1 6 . 1 1 2 2 GLY H H 2 8.944 8.944 8.678 0.266 25948 237 1 6 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.180 0.220 25948 238 1 6 . 1 1 3 3 GLU H H 3 8.773 8.773 8.229 0.544 25948 239 1 6 . 1 1 4 4 GLY H H 4 8.650 8.650 8.861 -0.211 25948 240 1 6 . 1 1 5 5 THR HA H 5 4.278 4.278 4.187 0.091 25948 241 1 6 . 1 1 5 5 THR H H 5 8.104 8.104 7.753 0.351 25948 242 1 6 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.732 -0.096 25948 243 1 6 . 1 1 6 6 PHE H H 6 8.457 8.457 8.300 0.157 25948 244 1 6 . 1 1 7 7 THR HA H 7 4.267 4.267 4.282 -0.015 25948 245 1 6 . 1 1 7 7 THR H H 7 8.127 8.127 8.260 -0.133 25948 246 1 6 . 1 1 8 8 SER HA H 8 4.363 4.363 4.408 -0.045 25948 247 1 6 . 1 1 8 8 SER H H 8 8.355 8.355 7.778 0.577 25948 248 1 6 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.751 -0.084 25948 249 1 6 . 1 1 9 9 ASP H H 9 8.589 8.589 7.895 0.694 25948 250 1 6 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.363 0.247 25948 251 1 6 . 1 1 10 10 CYS H H 10 8.578 8.578 8.936 -0.358 25948 252 1 6 . 1 1 11 11 SER HA H 11 4.102 4.102 4.110 -0.008 25948 253 1 6 . 1 1 11 11 SER H H 11 8.492 8.492 9.151 -0.659 25948 254 1 6 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.122 -0.017 25948 255 1 6 . 1 1 12 12 LYS H H 12 7.752 7.752 7.692 0.060 25948 256 1 6 . 1 1 13 13 GLN HA H 13 3.944 3.944 3.952 -0.008 25948 257 1 6 . 1 1 13 13 GLN H H 13 8.230 8.230 8.139 0.091 25948 258 1 6 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.228 0.286 25948 259 1 6 . 1 1 14 14 CYS H H 14 8.716 8.716 8.521 0.195 25948 260 1 6 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.178 0.096 25948 261 1 6 . 1 1 15 15 GLU H H 15 7.885 7.885 8.130 -0.245 25948 262 1 6 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.206 0.100 25948 263 1 6 . 1 1 16 16 GLU H H 16 7.962 7.962 8.565 -0.603 25948 264 1 6 . 1 1 17 17 GLY H H 17 7.994 7.994 7.848 0.146 25948 265 1 6 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.115 0.227 25948 266 1 6 . 1 1 18 18 ILE H H 18 7.936 7.936 8.281 -0.345 25948 267 1 6 . 1 1 19 19 GLY H H 19 8.643 8.643 8.506 0.137 25948 268 1 6 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.219 0.271 25948 269 1 6 . 1 1 20 20 HIS H H 20 8.409 8.409 7.798 0.611 25948 270 1 6 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.708 0.365 25948 271 1 6 . 1 1 21 21 LYS H H 21 7.977 7.977 8.504 -0.527 25948 272 1 6 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.384 0.344 25948 273 1 6 . 1 1 22 22 TYR H H 22 8.145 8.145 7.486 0.659 25948 274 1 6 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.062 0.170 25948 275 1 6 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.712 -0.233 25948 276 1 6 . 1 1 24 24 PHE H H 24 7.487 7.487 6.467 1.020 25948 277 1 6 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.803 0.026 25948 278 1 6 . 1 1 25 25 CYS H H 25 7.692 7.692 7.206 0.486 25948 279 1 6 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.731 -0.082 25948 280 1 6 . 1 1 26 26 HIS H H 26 8.651 8.651 8.242 0.409 25948 281 1 6 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.962 -0.268 25948 282 1 6 . 1 1 27 27 CYS H H 27 8.739 8.739 9.141 -0.402 25948 283 1 7 . 1 1 2 2 GLY H H 2 8.944 8.944 8.297 0.647 25948 284 1 7 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.687 -0.287 25948 285 1 7 . 1 1 3 3 GLU H H 3 8.773 8.773 8.632 0.141 25948 286 1 7 . 1 1 4 4 GLY H H 4 8.650 8.650 8.565 0.085 25948 287 1 7 . 1 1 5 5 THR HA H 5 4.278 4.278 4.236 0.042 25948 288 1 7 . 1 1 5 5 THR H H 5 8.104 8.104 7.840 0.264 25948 289 1 7 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.769 -0.133 25948 290 1 7 . 1 1 6 6 PHE H H 6 8.457 8.457 8.110 0.347 25948 291 1 7 . 1 1 7 7 THR HA H 7 4.267 4.267 4.192 0.075 25948 292 1 7 . 1 1 7 7 THR H H 7 8.127 8.127 8.545 -0.418 25948 293 1 7 . 1 1 8 8 SER HA H 8 4.363 4.363 4.312 0.051 25948 294 1 7 . 1 1 8 8 SER H H 8 8.355 8.355 7.174 1.181 25948 295 1 7 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.904 -0.237 25948 296 1 7 . 1 1 9 9 ASP H H 9 8.589 8.589 7.389 1.200 25948 297 1 7 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.334 0.276 25948 298 1 7 . 1 1 10 10 CYS H H 10 8.578 8.578 8.901 -0.323 25948 299 1 7 . 1 1 11 11 SER HA H 11 4.102 4.102 4.148 -0.046 25948 300 1 7 . 1 1 11 11 SER H H 11 8.492 8.492 8.307 0.185 25948 301 1 7 . 1 1 12 12 LYS HA H 12 4.105 4.105 3.896 0.209 25948 302 1 7 . 1 1 12 12 LYS H H 12 7.752 7.752 8.660 -0.908 25948 303 1 7 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.087 -0.143 25948 304 1 7 . 1 1 13 13 GLN H H 13 8.230 8.230 7.933 0.297 25948 305 1 7 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.476 0.038 25948 306 1 7 . 1 1 14 14 CYS H H 14 8.716 8.716 7.785 0.931 25948 307 1 7 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.164 0.110 25948 308 1 7 . 1 1 15 15 GLU H H 15 7.885 7.885 8.423 -0.538 25948 309 1 7 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.270 0.036 25948 310 1 7 . 1 1 16 16 GLU H H 16 7.962 7.962 8.426 -0.464 25948 311 1 7 . 1 1 17 17 GLY H H 17 7.994 7.994 7.732 0.262 25948 312 1 7 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.388 -0.046 25948 313 1 7 . 1 1 18 18 ILE H H 18 7.936 7.936 9.005 -1.069 25948 314 1 7 . 1 1 19 19 GLY H H 19 8.643 8.643 8.662 -0.019 25948 315 1 7 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.525 -0.035 25948 316 1 7 . 1 1 20 20 HIS H H 20 8.409 8.409 7.727 0.682 25948 317 1 7 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.579 0.494 25948 318 1 7 . 1 1 21 21 LYS H H 21 7.977 7.977 8.628 -0.651 25948 319 1 7 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.295 0.433 25948 320 1 7 . 1 1 22 22 TYR H H 22 8.145 8.145 7.311 0.834 25948 321 1 7 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.240 -0.008 25948 322 1 7 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.834 -0.355 25948 323 1 7 . 1 1 24 24 PHE H H 24 7.487 7.487 6.780 0.707 25948 324 1 7 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.852 -0.023 25948 325 1 7 . 1 1 25 25 CYS H H 25 7.692 7.692 7.387 0.305 25948 326 1 7 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.803 -0.154 25948 327 1 7 . 1 1 26 26 HIS H H 26 8.651 8.651 8.916 -0.265 25948 328 1 7 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.678 0.016 25948 329 1 7 . 1 1 27 27 CYS H H 27 8.739 8.739 8.572 0.167 25948 330 1 8 . 1 1 2 2 GLY H H 2 8.944 8.944 8.414 0.530 25948 331 1 8 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.435 -0.035 25948 332 1 8 . 1 1 3 3 GLU H H 3 8.773 8.773 8.393 0.380 25948 333 1 8 . 1 1 4 4 GLY H H 4 8.650 8.650 8.593 0.057 25948 334 1 8 . 1 1 5 5 THR HA H 5 4.278 4.278 4.602 -0.324 25948 335 1 8 . 1 1 5 5 THR H H 5 8.104 8.104 8.845 -0.741 25948 336 1 8 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.765 -0.129 25948 337 1 8 . 1 1 6 6 PHE H H 6 8.457 8.457 8.401 0.056 25948 338 1 8 . 1 1 7 7 THR HA H 7 4.267 4.267 4.688 -0.421 25948 339 1 8 . 1 1 7 7 THR H H 7 8.127 8.127 8.196 -0.069 25948 340 1 8 . 1 1 8 8 SER HA H 8 4.363 4.363 4.547 -0.184 25948 341 1 8 . 1 1 8 8 SER H H 8 8.355 8.355 7.648 0.707 25948 342 1 8 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.865 -0.198 25948 343 1 8 . 1 1 9 9 ASP H H 9 8.589 8.589 7.830 0.759 25948 344 1 8 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.143 0.467 25948 345 1 8 . 1 1 10 10 CYS H H 10 8.578 8.578 9.062 -0.484 25948 346 1 8 . 1 1 11 11 SER HA H 11 4.102 4.102 4.160 -0.058 25948 347 1 8 . 1 1 11 11 SER H H 11 8.492 8.492 8.113 0.379 25948 348 1 8 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.008 0.097 25948 349 1 8 . 1 1 12 12 LYS H H 12 7.752 7.752 8.144 -0.392 25948 350 1 8 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.087 -0.143 25948 351 1 8 . 1 1 13 13 GLN H H 13 8.230 8.230 8.205 0.025 25948 352 1 8 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.211 0.303 25948 353 1 8 . 1 1 14 14 CYS H H 14 8.716 8.716 8.196 0.520 25948 354 1 8 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.119 0.155 25948 355 1 8 . 1 1 15 15 GLU H H 15 7.885 7.885 8.124 -0.239 25948 356 1 8 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.372 -0.066 25948 357 1 8 . 1 1 16 16 GLU H H 16 7.962 7.962 8.061 -0.099 25948 358 1 8 . 1 1 17 17 GLY H H 17 7.994 7.994 7.269 0.725 25948 359 1 8 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.092 0.250 25948 360 1 8 . 1 1 18 18 ILE H H 18 7.936 7.936 8.563 -0.627 25948 361 1 8 . 1 1 19 19 GLY H H 19 8.643 8.643 8.522 0.121 25948 362 1 8 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.318 0.172 25948 363 1 8 . 1 1 20 20 HIS H H 20 8.409 8.409 7.899 0.510 25948 364 1 8 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.597 0.476 25948 365 1 8 . 1 1 21 21 LYS H H 21 7.977 7.977 8.508 -0.531 25948 366 1 8 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.424 0.304 25948 367 1 8 . 1 1 22 22 TYR H H 22 8.145 8.145 7.275 0.870 25948 368 1 8 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.198 0.034 25948 369 1 8 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.865 -0.386 25948 370 1 8 . 1 1 24 24 PHE H H 24 7.487 7.487 6.569 0.918 25948 371 1 8 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.805 0.024 25948 372 1 8 . 1 1 25 25 CYS H H 25 7.692 7.692 7.418 0.274 25948 373 1 8 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.715 -0.066 25948 374 1 8 . 1 1 26 26 HIS H H 26 8.651 8.651 8.724 -0.073 25948 375 1 8 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.906 -0.212 25948 376 1 8 . 1 1 27 27 CYS H H 27 8.739 8.739 8.875 -0.136 25948 377 1 9 . 1 1 2 2 GLY H H 2 8.944 8.944 8.398 0.546 25948 378 1 9 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.127 0.273 25948 379 1 9 . 1 1 3 3 GLU H H 3 8.773 8.773 8.076 0.697 25948 380 1 9 . 1 1 4 4 GLY H H 4 8.650 8.650 8.624 0.026 25948 381 1 9 . 1 1 5 5 THR HA H 5 4.278 4.278 4.438 -0.160 25948 382 1 9 . 1 1 5 5 THR H H 5 8.104 8.104 8.001 0.103 25948 383 1 9 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.582 0.054 25948 384 1 9 . 1 1 6 6 PHE H H 6 8.457 8.457 8.371 0.086 25948 385 1 9 . 1 1 7 7 THR HA H 7 4.267 4.267 4.488 -0.221 25948 386 1 9 . 1 1 7 7 THR H H 7 8.127 8.127 8.039 0.088 25948 387 1 9 . 1 1 8 8 SER HA H 8 4.363 4.363 4.196 0.167 25948 388 1 9 . 1 1 8 8 SER H H 8 8.355 8.355 7.023 1.332 25948 389 1 9 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.753 -0.086 25948 390 1 9 . 1 1 9 9 ASP H H 9 8.589 8.589 7.992 0.597 25948 391 1 9 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.201 0.409 25948 392 1 9 . 1 1 10 10 CYS H H 10 8.578 8.578 8.944 -0.366 25948 393 1 9 . 1 1 11 11 SER HA H 11 4.102 4.102 4.177 -0.075 25948 394 1 9 . 1 1 11 11 SER H H 11 8.492 8.492 8.652 -0.160 25948 395 1 9 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.072 0.033 25948 396 1 9 . 1 1 12 12 LYS H H 12 7.752 7.752 7.361 0.391 25948 397 1 9 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.101 -0.157 25948 398 1 9 . 1 1 13 13 GLN H H 13 8.230 8.230 7.955 0.275 25948 399 1 9 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.197 0.317 25948 400 1 9 . 1 1 14 14 CYS H H 14 8.716 8.716 8.339 0.377 25948 401 1 9 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.121 0.153 25948 402 1 9 . 1 1 15 15 GLU H H 15 7.885 7.885 8.196 -0.311 25948 403 1 9 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.278 0.028 25948 404 1 9 . 1 1 16 16 GLU H H 16 7.962 7.962 8.146 -0.184 25948 405 1 9 . 1 1 17 17 GLY H H 17 7.994 7.994 7.667 0.327 25948 406 1 9 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.160 0.182 25948 407 1 9 . 1 1 18 18 ILE H H 18 7.936 7.936 8.257 -0.321 25948 408 1 9 . 1 1 19 19 GLY H H 19 8.643 8.643 8.583 0.060 25948 409 1 9 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.270 0.220 25948 410 1 9 . 1 1 20 20 HIS H H 20 8.409 8.409 7.847 0.562 25948 411 1 9 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.603 0.470 25948 412 1 9 . 1 1 21 21 LYS H H 21 7.977 7.977 8.393 -0.416 25948 413 1 9 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.399 0.329 25948 414 1 9 . 1 1 22 22 TYR H H 22 8.145 8.145 7.161 0.984 25948 415 1 9 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.167 0.065 25948 416 1 9 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.688 -0.209 25948 417 1 9 . 1 1 24 24 PHE H H 24 7.487 7.487 6.685 0.802 25948 418 1 9 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.779 0.050 25948 419 1 9 . 1 1 25 25 CYS H H 25 7.692 7.692 7.230 0.462 25948 420 1 9 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.741 -0.092 25948 421 1 9 . 1 1 26 26 HIS H H 26 8.651 8.651 8.468 0.183 25948 422 1 9 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.822 -0.128 25948 423 1 9 . 1 1 27 27 CYS H H 27 8.739 8.739 8.698 0.041 25948 424 1 10 . 1 1 2 2 GLY H H 2 8.944 8.944 8.505 0.439 25948 425 1 10 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.343 0.057 25948 426 1 10 . 1 1 3 3 GLU H H 3 8.773 8.773 8.322 0.451 25948 427 1 10 . 1 1 4 4 GLY H H 4 8.650 8.650 8.408 0.242 25948 428 1 10 . 1 1 5 5 THR HA H 5 4.278 4.278 4.248 0.030 25948 429 1 10 . 1 1 5 5 THR H H 5 8.104 8.104 7.832 0.272 25948 430 1 10 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.636 -0.000 25948 431 1 10 . 1 1 6 6 PHE H H 6 8.457 8.457 7.799 0.658 25948 432 1 10 . 1 1 7 7 THR HA H 7 4.267 4.267 4.410 -0.143 25948 433 1 10 . 1 1 7 7 THR H H 7 8.127 8.127 8.075 0.052 25948 434 1 10 . 1 1 8 8 SER HA H 8 4.363 4.363 4.105 0.258 25948 435 1 10 . 1 1 8 8 SER H H 8 8.355 8.355 7.259 1.096 25948 436 1 10 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.820 -0.153 25948 437 1 10 . 1 1 9 9 ASP H H 9 8.589 8.589 7.819 0.770 25948 438 1 10 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.484 0.126 25948 439 1 10 . 1 1 10 10 CYS H H 10 8.578 8.578 8.973 -0.395 25948 440 1 10 . 1 1 11 11 SER HA H 11 4.102 4.102 4.160 -0.058 25948 441 1 10 . 1 1 11 11 SER H H 11 8.492 8.492 8.795 -0.303 25948 442 1 10 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.063 0.042 25948 443 1 10 . 1 1 12 12 LYS H H 12 7.752 7.752 7.520 0.232 25948 444 1 10 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.105 -0.161 25948 445 1 10 . 1 1 13 13 GLN H H 13 8.230 8.230 7.712 0.518 25948 446 1 10 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.309 0.205 25948 447 1 10 . 1 1 14 14 CYS H H 14 8.716 8.716 8.383 0.333 25948 448 1 10 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.186 0.088 25948 449 1 10 . 1 1 15 15 GLU H H 15 7.885 7.885 7.949 -0.064 25948 450 1 10 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.336 -0.030 25948 451 1 10 . 1 1 16 16 GLU H H 16 7.962 7.962 8.008 -0.046 25948 452 1 10 . 1 1 17 17 GLY H H 17 7.994 7.994 7.691 0.303 25948 453 1 10 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.148 0.194 25948 454 1 10 . 1 1 18 18 ILE H H 18 7.936 7.936 8.441 -0.505 25948 455 1 10 . 1 1 19 19 GLY H H 19 8.643 8.643 8.592 0.051 25948 456 1 10 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.365 0.125 25948 457 1 10 . 1 1 20 20 HIS H H 20 8.409 8.409 7.855 0.554 25948 458 1 10 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.579 0.494 25948 459 1 10 . 1 1 21 21 LYS H H 21 7.977 7.977 8.550 -0.573 25948 460 1 10 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.280 0.448 25948 461 1 10 . 1 1 22 22 TYR H H 22 8.145 8.145 7.155 0.990 25948 462 1 10 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.207 0.025 25948 463 1 10 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.776 -0.297 25948 464 1 10 . 1 1 24 24 PHE H H 24 7.487 7.487 6.766 0.721 25948 465 1 10 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.795 0.034 25948 466 1 10 . 1 1 25 25 CYS H H 25 7.692 7.692 7.281 0.411 25948 467 1 10 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.733 -0.084 25948 468 1 10 . 1 1 26 26 HIS H H 26 8.651 8.651 8.683 -0.032 25948 469 1 10 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.786 -0.092 25948 470 1 10 . 1 1 27 27 CYS H H 27 8.739 8.739 8.761 -0.022 25948 471 1 11 . 1 1 2 2 GLY H H 2 8.944 8.944 8.524 0.420 25948 472 1 11 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.334 0.066 25948 473 1 11 . 1 1 3 3 GLU H H 3 8.773 8.773 8.453 0.320 25948 474 1 11 . 1 1 4 4 GLY H H 4 8.650 8.650 8.062 0.588 25948 475 1 11 . 1 1 5 5 THR HA H 5 4.278 4.278 4.211 0.067 25948 476 1 11 . 1 1 5 5 THR H H 5 8.104 8.104 8.503 -0.399 25948 477 1 11 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.687 -0.051 25948 478 1 11 . 1 1 6 6 PHE H H 6 8.457 8.457 7.712 0.745 25948 479 1 11 . 1 1 7 7 THR HA H 7 4.267 4.267 4.002 0.265 25948 480 1 11 . 1 1 7 7 THR H H 7 8.127 8.127 7.699 0.428 25948 481 1 11 . 1 1 8 8 SER HA H 8 4.363 4.363 4.384 -0.021 25948 482 1 11 . 1 1 8 8 SER H H 8 8.355 8.355 8.162 0.193 25948 483 1 11 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.824 -0.157 25948 484 1 11 . 1 1 9 9 ASP H H 9 8.589 8.589 7.807 0.782 25948 485 1 11 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.141 0.469 25948 486 1 11 . 1 1 10 10 CYS H H 10 8.578 8.578 9.231 -0.653 25948 487 1 11 . 1 1 11 11 SER HA H 11 4.102 4.102 4.237 -0.135 25948 488 1 11 . 1 1 11 11 SER H H 11 8.492 8.492 8.430 0.062 25948 489 1 11 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.010 0.095 25948 490 1 11 . 1 1 12 12 LYS H H 12 7.752 7.752 7.779 -0.027 25948 491 1 11 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.182 -0.238 25948 492 1 11 . 1 1 13 13 GLN H H 13 8.230 8.230 8.497 -0.267 25948 493 1 11 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.454 0.060 25948 494 1 11 . 1 1 14 14 CYS H H 14 8.716 8.716 7.845 0.871 25948 495 1 11 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.163 0.111 25948 496 1 11 . 1 1 15 15 GLU H H 15 7.885 7.885 8.113 -0.228 25948 497 1 11 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.335 -0.029 25948 498 1 11 . 1 1 16 16 GLU H H 16 7.962 7.962 7.775 0.187 25948 499 1 11 . 1 1 17 17 GLY H H 17 7.994 7.994 7.715 0.279 25948 500 1 11 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.218 0.124 25948 501 1 11 . 1 1 18 18 ILE H H 18 7.936 7.936 8.239 -0.303 25948 502 1 11 . 1 1 19 19 GLY H H 19 8.643 8.643 8.627 0.016 25948 503 1 11 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.210 0.280 25948 504 1 11 . 1 1 20 20 HIS H H 20 8.409 8.409 7.935 0.474 25948 505 1 11 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.746 0.327 25948 506 1 11 . 1 1 21 21 LYS H H 21 7.977 7.977 8.283 -0.306 25948 507 1 11 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.233 0.495 25948 508 1 11 . 1 1 22 22 TYR H H 22 8.145 8.145 7.291 0.854 25948 509 1 11 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.102 0.130 25948 510 1 11 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.713 -0.234 25948 511 1 11 . 1 1 24 24 PHE H H 24 7.487 7.487 6.370 1.117 25948 512 1 11 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.765 0.064 25948 513 1 11 . 1 1 25 25 CYS H H 25 7.692 7.692 7.239 0.453 25948 514 1 11 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.674 -0.025 25948 515 1 11 . 1 1 26 26 HIS H H 26 8.651 8.651 8.592 0.059 25948 516 1 11 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.627 0.067 25948 517 1 11 . 1 1 27 27 CYS H H 27 8.739 8.739 8.763 -0.024 25948 518 1 12 . 1 1 2 2 GLY H H 2 8.944 8.944 8.653 0.291 25948 519 1 12 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.392 0.008 25948 520 1 12 . 1 1 3 3 GLU H H 3 8.773 8.773 8.541 0.232 25948 521 1 12 . 1 1 4 4 GLY H H 4 8.650 8.650 7.832 0.818 25948 522 1 12 . 1 1 5 5 THR HA H 5 4.278 4.278 4.192 0.086 25948 523 1 12 . 1 1 5 5 THR H H 5 8.104 8.104 8.063 0.041 25948 524 1 12 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.715 -0.079 25948 525 1 12 . 1 1 6 6 PHE H H 6 8.457 8.457 8.106 0.351 25948 526 1 12 . 1 1 7 7 THR HA H 7 4.267 4.267 4.514 -0.247 25948 527 1 12 . 1 1 7 7 THR H H 7 8.127 8.127 8.303 -0.176 25948 528 1 12 . 1 1 8 8 SER HA H 8 4.363 4.363 4.329 0.034 25948 529 1 12 . 1 1 8 8 SER H H 8 8.355 8.355 7.840 0.515 25948 530 1 12 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.791 -0.124 25948 531 1 12 . 1 1 9 9 ASP H H 9 8.589 8.589 8.092 0.497 25948 532 1 12 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.191 0.419 25948 533 1 12 . 1 1 10 10 CYS H H 10 8.578 8.578 8.619 -0.041 25948 534 1 12 . 1 1 11 11 SER HA H 11 4.102 4.102 4.066 0.036 25948 535 1 12 . 1 1 11 11 SER H H 11 8.492 8.492 8.586 -0.094 25948 536 1 12 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.142 -0.037 25948 537 1 12 . 1 1 12 12 LYS H H 12 7.752 7.752 7.367 0.385 25948 538 1 12 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.090 -0.146 25948 539 1 12 . 1 1 13 13 GLN H H 13 8.230 8.230 7.989 0.241 25948 540 1 12 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.250 0.264 25948 541 1 12 . 1 1 14 14 CYS H H 14 8.716 8.716 7.979 0.737 25948 542 1 12 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.090 0.184 25948 543 1 12 . 1 1 15 15 GLU H H 15 7.885 7.885 7.959 -0.074 25948 544 1 12 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.269 0.037 25948 545 1 12 . 1 1 16 16 GLU H H 16 7.962 7.962 8.304 -0.342 25948 546 1 12 . 1 1 17 17 GLY H H 17 7.994 7.994 7.663 0.331 25948 547 1 12 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.140 0.202 25948 548 1 12 . 1 1 18 18 ILE H H 18 7.936 7.936 8.406 -0.470 25948 549 1 12 . 1 1 19 19 GLY H H 19 8.643 8.643 8.693 -0.050 25948 550 1 12 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.394 0.096 25948 551 1 12 . 1 1 20 20 HIS H H 20 8.409 8.409 8.054 0.355 25948 552 1 12 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.552 0.521 25948 553 1 12 . 1 1 21 21 LYS H H 21 7.977 7.977 8.351 -0.374 25948 554 1 12 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.517 0.211 25948 555 1 12 . 1 1 22 22 TYR H H 22 8.145 8.145 7.218 0.926 25948 556 1 12 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.235 -0.003 25948 557 1 12 . 1 1 24 24 PHE HA H 24 4.479 4.479 5.049 -0.570 25948 558 1 12 . 1 1 24 24 PHE H H 24 7.487 7.487 7.063 0.424 25948 559 1 12 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.752 0.077 25948 560 1 12 . 1 1 25 25 CYS H H 25 7.692 7.692 7.331 0.361 25948 561 1 12 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.835 -0.186 25948 562 1 12 . 1 1 26 26 HIS H H 26 8.651 8.651 7.890 0.761 25948 563 1 12 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.749 -0.055 25948 564 1 12 . 1 1 27 27 CYS H H 27 8.739 8.739 8.899 -0.160 25948 565 1 13 . 1 1 2 2 GLY H H 2 8.944 8.944 8.230 0.714 25948 566 1 13 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.523 -0.123 25948 567 1 13 . 1 1 3 3 GLU H H 3 8.773 8.773 7.962 0.811 25948 568 1 13 . 1 1 4 4 GLY H H 4 8.650 8.650 8.813 -0.163 25948 569 1 13 . 1 1 5 5 THR HA H 5 4.278 4.278 4.264 0.014 25948 570 1 13 . 1 1 5 5 THR H H 5 8.104 8.104 7.771 0.333 25948 571 1 13 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.759 -0.123 25948 572 1 13 . 1 1 6 6 PHE H H 6 8.457 8.457 8.556 -0.099 25948 573 1 13 . 1 1 7 7 THR HA H 7 4.267 4.267 4.393 -0.126 25948 574 1 13 . 1 1 7 7 THR H H 7 8.127 8.127 8.417 -0.290 25948 575 1 13 . 1 1 8 8 SER HA H 8 4.363 4.363 3.904 0.459 25948 576 1 13 . 1 1 8 8 SER H H 8 8.355 8.355 7.361 0.994 25948 577 1 13 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.655 0.012 25948 578 1 13 . 1 1 9 9 ASP H H 9 8.589 8.589 7.465 1.124 25948 579 1 13 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.377 0.233 25948 580 1 13 . 1 1 10 10 CYS H H 10 8.578 8.578 9.006 -0.428 25948 581 1 13 . 1 1 11 11 SER HA H 11 4.102 4.102 4.177 -0.075 25948 582 1 13 . 1 1 11 11 SER H H 11 8.492 8.492 8.742 -0.250 25948 583 1 13 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.053 0.052 25948 584 1 13 . 1 1 12 12 LYS H H 12 7.752 7.752 8.151 -0.399 25948 585 1 13 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.149 -0.205 25948 586 1 13 . 1 1 13 13 GLN H H 13 8.230 8.230 8.480 -0.250 25948 587 1 13 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.320 0.194 25948 588 1 13 . 1 1 14 14 CYS H H 14 8.716 8.716 8.457 0.259 25948 589 1 13 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.150 0.124 25948 590 1 13 . 1 1 15 15 GLU H H 15 7.885 7.885 8.517 -0.632 25948 591 1 13 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.295 0.011 25948 592 1 13 . 1 1 16 16 GLU H H 16 7.962 7.962 8.331 -0.369 25948 593 1 13 . 1 1 17 17 GLY H H 17 7.994 7.994 7.827 0.167 25948 594 1 13 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.314 0.028 25948 595 1 13 . 1 1 18 18 ILE H H 18 7.936 7.936 8.253 -0.317 25948 596 1 13 . 1 1 19 19 GLY H H 19 8.643 8.643 8.681 -0.038 25948 597 1 13 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.471 0.019 25948 598 1 13 . 1 1 20 20 HIS H H 20 8.409 8.409 7.969 0.440 25948 599 1 13 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.629 0.444 25948 600 1 13 . 1 1 21 21 LYS H H 21 7.977 7.977 8.430 -0.452 25948 601 1 13 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.426 0.302 25948 602 1 13 . 1 1 22 22 TYR H H 22 8.145 8.145 7.504 0.641 25948 603 1 13 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.169 0.063 25948 604 1 13 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.712 -0.233 25948 605 1 13 . 1 1 24 24 PHE H H 24 7.487 7.487 6.800 0.687 25948 606 1 13 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.723 0.106 25948 607 1 13 . 1 1 25 25 CYS H H 25 7.692 7.692 7.490 0.202 25948 608 1 13 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.750 -0.101 25948 609 1 13 . 1 1 26 26 HIS H H 26 8.651 8.651 8.698 -0.047 25948 610 1 13 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.684 0.010 25948 611 1 13 . 1 1 27 27 CYS H H 27 8.739 8.739 8.881 -0.142 25948 612 1 14 . 1 1 2 2 GLY H H 2 8.944 8.944 8.484 0.460 25948 613 1 14 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.230 0.170 25948 614 1 14 . 1 1 3 3 GLU H H 3 8.773 8.773 9.105 -0.332 25948 615 1 14 . 1 1 4 4 GLY H H 4 8.650 8.650 8.014 0.636 25948 616 1 14 . 1 1 5 5 THR HA H 5 4.278 4.278 4.189 0.089 25948 617 1 14 . 1 1 5 5 THR H H 5 8.104 8.104 8.544 -0.440 25948 618 1 14 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.765 -0.129 25948 619 1 14 . 1 1 6 6 PHE H H 6 8.457 8.457 7.929 0.528 25948 620 1 14 . 1 1 7 7 THR HA H 7 4.267 4.267 4.049 0.218 25948 621 1 14 . 1 1 7 7 THR H H 7 8.127 8.127 8.248 -0.121 25948 622 1 14 . 1 1 8 8 SER HA H 8 4.363 4.363 4.427 -0.064 25948 623 1 14 . 1 1 8 8 SER H H 8 8.355 8.355 8.236 0.119 25948 624 1 14 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.712 -0.045 25948 625 1 14 . 1 1 9 9 ASP H H 9 8.589 8.589 7.673 0.916 25948 626 1 14 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.214 0.396 25948 627 1 14 . 1 1 10 10 CYS H H 10 8.578 8.578 9.033 -0.455 25948 628 1 14 . 1 1 11 11 SER HA H 11 4.102 4.102 4.241 -0.139 25948 629 1 14 . 1 1 11 11 SER H H 11 8.492 8.492 8.653 -0.161 25948 630 1 14 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.137 -0.032 25948 631 1 14 . 1 1 12 12 LYS H H 12 7.752 7.752 7.539 0.213 25948 632 1 14 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.107 -0.163 25948 633 1 14 . 1 1 13 13 GLN H H 13 8.230 8.230 8.183 0.047 25948 634 1 14 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.392 0.122 25948 635 1 14 . 1 1 14 14 CYS H H 14 8.716 8.716 7.753 0.963 25948 636 1 14 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.170 0.104 25948 637 1 14 . 1 1 15 15 GLU H H 15 7.885 7.885 7.957 -0.072 25948 638 1 14 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.341 -0.035 25948 639 1 14 . 1 1 16 16 GLU H H 16 7.962 7.962 7.706 0.256 25948 640 1 14 . 1 1 17 17 GLY H H 17 7.994 7.994 7.786 0.208 25948 641 1 14 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.335 0.007 25948 642 1 14 . 1 1 18 18 ILE H H 18 7.936 7.936 7.856 0.080 25948 643 1 14 . 1 1 19 19 GLY H H 19 8.643 8.643 8.672 -0.029 25948 644 1 14 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.320 0.170 25948 645 1 14 . 1 1 20 20 HIS H H 20 8.409 8.409 8.139 0.270 25948 646 1 14 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.721 0.352 25948 647 1 14 . 1 1 21 21 LYS H H 21 7.977 7.977 8.159 -0.182 25948 648 1 14 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.353 0.375 25948 649 1 14 . 1 1 22 22 TYR H H 22 8.145 8.145 7.378 0.767 25948 650 1 14 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.402 -0.170 25948 651 1 14 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.741 -0.262 25948 652 1 14 . 1 1 24 24 PHE H H 24 7.487 7.487 7.000 0.487 25948 653 1 14 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.666 0.163 25948 654 1 14 . 1 1 25 25 CYS H H 25 7.692 7.692 7.338 0.354 25948 655 1 14 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.733 -0.084 25948 656 1 14 . 1 1 26 26 HIS H H 26 8.651 8.651 8.553 0.098 25948 657 1 14 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.742 -0.048 25948 658 1 14 . 1 1 27 27 CYS H H 27 8.739 8.739 8.889 -0.150 25948 659 1 15 . 1 1 2 2 GLY H H 2 8.944 8.944 8.404 0.540 25948 660 1 15 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.409 -0.009 25948 661 1 15 . 1 1 3 3 GLU H H 3 8.773 8.773 8.070 0.703 25948 662 1 15 . 1 1 4 4 GLY H H 4 8.650 8.650 8.693 -0.043 25948 663 1 15 . 1 1 5 5 THR HA H 5 4.278 4.278 4.407 -0.129 25948 664 1 15 . 1 1 5 5 THR H H 5 8.104 8.104 7.793 0.311 25948 665 1 15 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.786 -0.150 25948 666 1 15 . 1 1 6 6 PHE H H 6 8.457 8.457 8.908 -0.451 25948 667 1 15 . 1 1 7 7 THR HA H 7 4.267 4.267 4.013 0.254 25948 668 1 15 . 1 1 7 7 THR H H 7 8.127 8.127 7.567 0.560 25948 669 1 15 . 1 1 8 8 SER HA H 8 4.363 4.363 4.287 0.076 25948 670 1 15 . 1 1 8 8 SER H H 8 8.355 8.355 7.887 0.468 25948 671 1 15 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.770 -0.103 25948 672 1 15 . 1 1 9 9 ASP H H 9 8.589 8.589 7.634 0.955 25948 673 1 15 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.695 -0.085 25948 674 1 15 . 1 1 10 10 CYS H H 10 8.578 8.578 8.780 -0.202 25948 675 1 15 . 1 1 11 11 SER HA H 11 4.102 4.102 4.185 -0.083 25948 676 1 15 . 1 1 11 11 SER H H 11 8.492 8.492 8.723 -0.231 25948 677 1 15 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.374 -0.269 25948 678 1 15 . 1 1 12 12 LYS H H 12 7.752 7.752 8.258 -0.506 25948 679 1 15 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.127 -0.183 25948 680 1 15 . 1 1 13 13 GLN H H 13 8.230 8.230 8.605 -0.375 25948 681 1 15 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.333 0.181 25948 682 1 15 . 1 1 14 14 CYS H H 14 8.716 8.716 8.338 0.378 25948 683 1 15 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.072 0.202 25948 684 1 15 . 1 1 15 15 GLU H H 15 7.885 7.885 7.978 -0.093 25948 685 1 15 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.281 0.025 25948 686 1 15 . 1 1 16 16 GLU H H 16 7.962 7.962 8.280 -0.318 25948 687 1 15 . 1 1 17 17 GLY H H 17 7.994 7.994 7.691 0.303 25948 688 1 15 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.266 0.076 25948 689 1 15 . 1 1 18 18 ILE H H 18 7.936 7.936 8.336 -0.400 25948 690 1 15 . 1 1 19 19 GLY H H 19 8.643 8.643 8.794 -0.151 25948 691 1 15 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.369 0.121 25948 692 1 15 . 1 1 20 20 HIS H H 20 8.409 8.409 8.046 0.363 25948 693 1 15 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.623 0.450 25948 694 1 15 . 1 1 21 21 LYS H H 21 7.977 7.977 8.372 -0.395 25948 695 1 15 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.409 0.319 25948 696 1 15 . 1 1 22 22 TYR H H 22 8.145 8.145 7.043 1.102 25948 697 1 15 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.113 0.119 25948 698 1 15 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.842 -0.363 25948 699 1 15 . 1 1 24 24 PHE H H 24 7.487 7.487 6.612 0.875 25948 700 1 15 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.841 -0.012 25948 701 1 15 . 1 1 25 25 CYS H H 25 7.692 7.692 7.674 0.018 25948 702 1 15 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.849 -0.200 25948 703 1 15 . 1 1 26 26 HIS H H 26 8.651 8.651 7.994 0.657 25948 704 1 15 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.623 0.071 25948 705 1 15 . 1 1 27 27 CYS H H 27 8.739 8.739 9.346 -0.607 25948 706 1 16 . 1 1 2 2 GLY H H 2 8.944 8.944 8.109 0.835 25948 707 1 16 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.377 0.023 25948 708 1 16 . 1 1 3 3 GLU H H 3 8.773 8.773 8.396 0.377 25948 709 1 16 . 1 1 4 4 GLY H H 4 8.650 8.650 8.586 0.064 25948 710 1 16 . 1 1 5 5 THR HA H 5 4.278 4.278 4.050 0.228 25948 711 1 16 . 1 1 5 5 THR H H 5 8.104 8.104 8.152 -0.048 25948 712 1 16 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.713 -0.077 25948 713 1 16 . 1 1 6 6 PHE H H 6 8.457 8.457 8.789 -0.332 25948 714 1 16 . 1 1 7 7 THR HA H 7 4.267 4.267 4.078 0.189 25948 715 1 16 . 1 1 7 7 THR H H 7 8.127 8.127 8.113 0.014 25948 716 1 16 . 1 1 8 8 SER HA H 8 4.363 4.363 4.612 -0.249 25948 717 1 16 . 1 1 8 8 SER H H 8 8.355 8.355 7.766 0.589 25948 718 1 16 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.662 0.005 25948 719 1 16 . 1 1 9 9 ASP H H 9 8.589 8.589 7.763 0.826 25948 720 1 16 . 1 1 10 10 CYS HA H 10 4.610 4.610 3.920 0.690 25948 721 1 16 . 1 1 10 10 CYS H H 10 8.578 8.578 8.299 0.279 25948 722 1 16 . 1 1 11 11 SER HA H 11 4.102 4.102 4.171 -0.069 25948 723 1 16 . 1 1 11 11 SER H H 11 8.492 8.492 8.534 -0.042 25948 724 1 16 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.253 -0.147 25948 725 1 16 . 1 1 12 12 LYS H H 12 7.752 7.752 7.378 0.374 25948 726 1 16 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.177 -0.233 25948 727 1 16 . 1 1 13 13 GLN H H 13 8.230 8.230 7.814 0.416 25948 728 1 16 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.225 0.289 25948 729 1 16 . 1 1 14 14 CYS H H 14 8.716 8.716 7.818 0.898 25948 730 1 16 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.078 0.196 25948 731 1 16 . 1 1 15 15 GLU H H 15 7.885 7.885 8.008 -0.123 25948 732 1 16 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.290 0.016 25948 733 1 16 . 1 1 16 16 GLU H H 16 7.962 7.962 8.219 -0.257 25948 734 1 16 . 1 1 17 17 GLY H H 17 7.994 7.994 7.719 0.275 25948 735 1 16 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.242 0.100 25948 736 1 16 . 1 1 18 18 ILE H H 18 7.936 7.936 8.448 -0.512 25948 737 1 16 . 1 1 19 19 GLY H H 19 8.643 8.643 8.572 0.071 25948 738 1 16 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.545 -0.055 25948 739 1 16 . 1 1 20 20 HIS H H 20 8.409 8.409 7.868 0.541 25948 740 1 16 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.680 0.393 25948 741 1 16 . 1 1 21 21 LYS H H 21 7.977 7.977 8.384 -0.407 25948 742 1 16 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.458 0.270 25948 743 1 16 . 1 1 22 22 TYR H H 22 8.145 8.145 7.350 0.795 25948 744 1 16 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.114 0.118 25948 745 1 16 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.692 -0.213 25948 746 1 16 . 1 1 24 24 PHE H H 24 7.487 7.487 6.659 0.828 25948 747 1 16 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.843 -0.014 25948 748 1 16 . 1 1 25 25 CYS H H 25 7.692 7.692 7.574 0.118 25948 749 1 16 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.805 -0.156 25948 750 1 16 . 1 1 26 26 HIS H H 26 8.651 8.651 8.271 0.380 25948 751 1 16 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.714 -0.020 25948 752 1 16 . 1 1 27 27 CYS H H 27 8.739 8.739 8.690 0.049 25948 753 1 17 . 1 1 2 2 GLY H H 2 8.944 8.944 8.581 0.363 25948 754 1 17 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.657 -0.257 25948 755 1 17 . 1 1 3 3 GLU H H 3 8.773 8.773 7.911 0.862 25948 756 1 17 . 1 1 4 4 GLY H H 4 8.650 8.650 8.649 0.001 25948 757 1 17 . 1 1 5 5 THR HA H 5 4.278 4.278 4.396 -0.118 25948 758 1 17 . 1 1 5 5 THR H H 5 8.104 8.104 8.553 -0.449 25948 759 1 17 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.649 -0.013 25948 760 1 17 . 1 1 6 6 PHE H H 6 8.457 8.457 8.916 -0.459 25948 761 1 17 . 1 1 7 7 THR HA H 7 4.267 4.267 4.538 -0.271 25948 762 1 17 . 1 1 7 7 THR H H 7 8.127 8.127 8.012 0.115 25948 763 1 17 . 1 1 8 8 SER HA H 8 4.363 4.363 4.307 0.056 25948 764 1 17 . 1 1 8 8 SER H H 8 8.355 8.355 7.711 0.644 25948 765 1 17 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.951 -0.284 25948 766 1 17 . 1 1 9 9 ASP H H 9 8.589 8.589 8.149 0.440 25948 767 1 17 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.297 0.313 25948 768 1 17 . 1 1 10 10 CYS H H 10 8.578 8.578 9.119 -0.541 25948 769 1 17 . 1 1 11 11 SER HA H 11 4.102 4.102 4.219 -0.117 25948 770 1 17 . 1 1 11 11 SER H H 11 8.492 8.492 8.273 0.219 25948 771 1 17 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.030 0.075 25948 772 1 17 . 1 1 12 12 LYS H H 12 7.752 7.752 7.884 -0.132 25948 773 1 17 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.114 -0.170 25948 774 1 17 . 1 1 13 13 GLN H H 13 8.230 8.230 8.460 -0.230 25948 775 1 17 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.193 0.321 25948 776 1 17 . 1 1 14 14 CYS H H 14 8.716 8.716 8.484 0.232 25948 777 1 17 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.141 0.133 25948 778 1 17 . 1 1 15 15 GLU H H 15 7.885 7.885 8.060 -0.175 25948 779 1 17 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.212 0.094 25948 780 1 17 . 1 1 16 16 GLU H H 16 7.962 7.962 8.321 -0.359 25948 781 1 17 . 1 1 17 17 GLY H H 17 7.994 7.994 7.684 0.310 25948 782 1 17 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.227 0.115 25948 783 1 17 . 1 1 18 18 ILE H H 18 7.936 7.936 8.877 -0.941 25948 784 1 17 . 1 1 19 19 GLY H H 19 8.643 8.643 8.633 0.010 25948 785 1 17 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.515 -0.025 25948 786 1 17 . 1 1 20 20 HIS H H 20 8.409 8.409 7.843 0.566 25948 787 1 17 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.532 0.541 25948 788 1 17 . 1 1 21 21 LYS H H 21 7.977 7.977 8.433 -0.456 25948 789 1 17 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.387 0.341 25948 790 1 17 . 1 1 22 22 TYR H H 22 8.145 8.145 7.370 0.775 25948 791 1 17 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.263 -0.031 25948 792 1 17 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.898 -0.419 25948 793 1 17 . 1 1 24 24 PHE H H 24 7.487 7.487 6.873 0.614 25948 794 1 17 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.797 0.032 25948 795 1 17 . 1 1 25 25 CYS H H 25 7.692 7.692 7.526 0.166 25948 796 1 17 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.771 -0.122 25948 797 1 17 . 1 1 26 26 HIS H H 26 8.651 8.651 8.817 -0.166 25948 798 1 17 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.864 -0.170 25948 799 1 17 . 1 1 27 27 CYS H H 27 8.739 8.739 8.887 -0.148 25948 800 1 18 . 1 1 2 2 GLY H H 2 8.944 8.944 7.897 1.047 25948 801 1 18 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.074 0.326 25948 802 1 18 . 1 1 3 3 GLU H H 3 8.773 8.773 7.861 0.912 25948 803 1 18 . 1 1 4 4 GLY H H 4 8.650 8.650 8.754 -0.104 25948 804 1 18 . 1 1 5 5 THR HA H 5 4.278 4.278 4.253 0.025 25948 805 1 18 . 1 1 5 5 THR H H 5 8.104 8.104 7.892 0.212 25948 806 1 18 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.748 -0.112 25948 807 1 18 . 1 1 6 6 PHE H H 6 8.457 8.457 8.051 0.406 25948 808 1 18 . 1 1 7 7 THR HA H 7 4.267 4.267 4.361 -0.094 25948 809 1 18 . 1 1 7 7 THR H H 7 8.127 8.127 7.785 0.342 25948 810 1 18 . 1 1 8 8 SER HA H 8 4.363 4.363 3.469 0.894 25948 811 1 18 . 1 1 8 8 SER H H 8 8.355 8.355 6.305 2.050 25948 812 1 18 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.392 0.275 25948 813 1 18 . 1 1 9 9 ASP H H 9 8.589 8.589 7.649 0.940 25948 814 1 18 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.341 0.269 25948 815 1 18 . 1 1 10 10 CYS H H 10 8.578 8.578 8.871 -0.293 25948 816 1 18 . 1 1 11 11 SER HA H 11 4.102 4.102 4.183 -0.081 25948 817 1 18 . 1 1 11 11 SER H H 11 8.492 8.492 8.728 -0.236 25948 818 1 18 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.051 0.054 25948 819 1 18 . 1 1 12 12 LYS H H 12 7.752 7.752 7.797 -0.045 25948 820 1 18 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.141 -0.197 25948 821 1 18 . 1 1 13 13 GLN H H 13 8.230 8.230 7.826 0.404 25948 822 1 18 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.420 0.094 25948 823 1 18 . 1 1 14 14 CYS H H 14 8.716 8.716 8.618 0.098 25948 824 1 18 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.114 0.160 25948 825 1 18 . 1 1 15 15 GLU H H 15 7.885 7.885 7.770 0.115 25948 826 1 18 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.316 -0.010 25948 827 1 18 . 1 1 16 16 GLU H H 16 7.962 7.962 7.898 0.064 25948 828 1 18 . 1 1 17 17 GLY H H 17 7.994 7.994 7.735 0.259 25948 829 1 18 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.295 0.047 25948 830 1 18 . 1 1 18 18 ILE H H 18 7.936 7.936 8.498 -0.562 25948 831 1 18 . 1 1 19 19 GLY H H 19 8.643 8.643 8.684 -0.041 25948 832 1 18 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.430 0.060 25948 833 1 18 . 1 1 20 20 HIS H H 20 8.409 8.409 7.847 0.562 25948 834 1 18 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.730 0.343 25948 835 1 18 . 1 1 21 21 LYS H H 21 7.977 7.977 8.877 -0.900 25948 836 1 18 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.517 0.211 25948 837 1 18 . 1 1 22 22 TYR H H 22 8.145 8.145 7.432 0.713 25948 838 1 18 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.205 0.027 25948 839 1 18 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.858 -0.379 25948 840 1 18 . 1 1 24 24 PHE H H 24 7.487 7.487 6.704 0.783 25948 841 1 18 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.843 -0.014 25948 842 1 18 . 1 1 25 25 CYS H H 25 7.692 7.692 7.547 0.145 25948 843 1 18 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.744 -0.095 25948 844 1 18 . 1 1 26 26 HIS H H 26 8.651 8.651 8.811 -0.160 25948 845 1 18 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.643 0.051 25948 846 1 18 . 1 1 27 27 CYS H H 27 8.739 8.739 8.792 -0.053 25948 847 1 19 . 1 1 2 2 GLY H H 2 8.944 8.944 8.672 0.272 25948 848 1 19 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.616 -0.216 25948 849 1 19 . 1 1 3 3 GLU H H 3 8.773 8.773 8.410 0.363 25948 850 1 19 . 1 1 4 4 GLY H H 4 8.650 8.650 8.706 -0.056 25948 851 1 19 . 1 1 5 5 THR HA H 5 4.278 4.278 4.268 0.010 25948 852 1 19 . 1 1 5 5 THR H H 5 8.104 8.104 8.261 -0.157 25948 853 1 19 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.692 -0.056 25948 854 1 19 . 1 1 6 6 PHE H H 6 8.457 8.457 8.288 0.169 25948 855 1 19 . 1 1 7 7 THR HA H 7 4.267 4.267 4.566 -0.299 25948 856 1 19 . 1 1 7 7 THR H H 7 8.127 8.127 8.024 0.103 25948 857 1 19 . 1 1 8 8 SER HA H 8 4.363 4.363 4.248 0.115 25948 858 1 19 . 1 1 8 8 SER H H 8 8.355 8.355 7.056 1.299 25948 859 1 19 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.729 -0.062 25948 860 1 19 . 1 1 9 9 ASP H H 9 8.589 8.589 7.689 0.900 25948 861 1 19 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.143 0.467 25948 862 1 19 . 1 1 10 10 CYS H H 10 8.578 8.578 8.395 0.183 25948 863 1 19 . 1 1 11 11 SER HA H 11 4.102 4.102 4.143 -0.041 25948 864 1 19 . 1 1 11 11 SER H H 11 8.492 8.492 8.689 -0.197 25948 865 1 19 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.143 -0.038 25948 866 1 19 . 1 1 12 12 LYS H H 12 7.752 7.752 7.443 0.309 25948 867 1 19 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.242 -0.298 25948 868 1 19 . 1 1 13 13 GLN H H 13 8.230 8.230 8.012 0.218 25948 869 1 19 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.298 0.216 25948 870 1 19 . 1 1 14 14 CYS H H 14 8.716 8.716 8.296 0.420 25948 871 1 19 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.039 0.235 25948 872 1 19 . 1 1 15 15 GLU H H 15 7.885 7.885 8.138 -0.253 25948 873 1 19 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.393 -0.087 25948 874 1 19 . 1 1 16 16 GLU H H 16 7.962 7.962 7.651 0.311 25948 875 1 19 . 1 1 17 17 GLY H H 17 7.994 7.994 7.651 0.343 25948 876 1 19 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.008 0.334 25948 877 1 19 . 1 1 18 18 ILE H H 18 7.936 7.936 8.585 -0.649 25948 878 1 19 . 1 1 19 19 GLY H H 19 8.643 8.643 8.451 0.192 25948 879 1 19 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.149 0.341 25948 880 1 19 . 1 1 20 20 HIS H H 20 8.409 8.409 7.927 0.482 25948 881 1 19 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.688 0.385 25948 882 1 19 . 1 1 21 21 LYS H H 21 7.977 7.977 8.114 -0.137 25948 883 1 19 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.165 0.563 25948 884 1 19 . 1 1 22 22 TYR H H 22 8.145 8.145 7.413 0.732 25948 885 1 19 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.246 -0.014 25948 886 1 19 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.759 -0.280 25948 887 1 19 . 1 1 24 24 PHE H H 24 7.487 7.487 6.887 0.600 25948 888 1 19 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.853 -0.024 25948 889 1 19 . 1 1 25 25 CYS H H 25 7.692 7.692 7.231 0.461 25948 890 1 19 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.741 -0.092 25948 891 1 19 . 1 1 26 26 HIS H H 26 8.651 8.651 8.298 0.353 25948 892 1 19 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.794 -0.100 25948 893 1 19 . 1 1 27 27 CYS H H 27 8.739 8.739 8.659 0.080 25948 894 1 20 . 1 1 2 2 GLY H H 2 8.944 8.944 8.103 0.841 25948 895 1 20 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.442 -0.042 25948 896 1 20 . 1 1 3 3 GLU H H 3 8.773 8.773 8.211 0.562 25948 897 1 20 . 1 1 4 4 GLY H H 4 8.650 8.650 8.917 -0.267 25948 898 1 20 . 1 1 5 5 THR HA H 5 4.278 4.278 4.420 -0.142 25948 899 1 20 . 1 1 5 5 THR H H 5 8.104 8.104 8.107 -0.003 25948 900 1 20 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.836 -0.200 25948 901 1 20 . 1 1 6 6 PHE H H 6 8.457 8.457 8.012 0.445 25948 902 1 20 . 1 1 7 7 THR HA H 7 4.267 4.267 4.257 0.010 25948 903 1 20 . 1 1 7 7 THR H H 7 8.127 8.127 8.658 -0.531 25948 904 1 20 . 1 1 8 8 SER HA H 8 4.363 4.363 3.892 0.471 25948 905 1 20 . 1 1 8 8 SER H H 8 8.355 8.355 6.983 1.372 25948 906 1 20 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.446 0.221 25948 907 1 20 . 1 1 9 9 ASP H H 9 8.589 8.589 7.193 1.396 25948 908 1 20 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.209 0.401 25948 909 1 20 . 1 1 10 10 CYS H H 10 8.578 8.578 8.867 -0.289 25948 910 1 20 . 1 1 11 11 SER HA H 11 4.102 4.102 4.132 -0.030 25948 911 1 20 . 1 1 11 11 SER H H 11 8.492 8.492 8.145 0.347 25948 912 1 20 . 1 1 12 12 LYS HA H 12 4.105 4.105 3.976 0.129 25948 913 1 20 . 1 1 12 12 LYS H H 12 7.752 7.752 7.858 -0.106 25948 914 1 20 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.102 -0.158 25948 915 1 20 . 1 1 13 13 GLN H H 13 8.230 8.230 8.506 -0.276 25948 916 1 20 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.362 0.152 25948 917 1 20 . 1 1 14 14 CYS H H 14 8.716 8.716 7.941 0.775 25948 918 1 20 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.198 0.076 25948 919 1 20 . 1 1 15 15 GLU H H 15 7.885 7.885 8.007 -0.122 25948 920 1 20 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.271 0.035 25948 921 1 20 . 1 1 16 16 GLU H H 16 7.962 7.962 8.330 -0.368 25948 922 1 20 . 1 1 17 17 GLY H H 17 7.994 7.994 7.678 0.316 25948 923 1 20 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.379 -0.037 25948 924 1 20 . 1 1 18 18 ILE H H 18 7.936 7.936 8.574 -0.638 25948 925 1 20 . 1 1 19 19 GLY H H 19 8.643 8.643 8.687 -0.044 25948 926 1 20 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.477 0.013 25948 927 1 20 . 1 1 20 20 HIS H H 20 8.409 8.409 7.577 0.832 25948 928 1 20 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.652 0.421 25948 929 1 20 . 1 1 21 21 LYS H H 21 7.977 7.977 8.378 -0.401 25948 930 1 20 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.442 0.286 25948 931 1 20 . 1 1 22 22 TYR H H 22 8.145 8.145 7.447 0.698 25948 932 1 20 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.413 -0.181 25948 933 1 20 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.871 -0.392 25948 934 1 20 . 1 1 24 24 PHE H H 24 7.487 7.487 7.088 0.399 25948 935 1 20 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.808 0.021 25948 936 1 20 . 1 1 25 25 CYS H H 25 7.692 7.692 7.529 0.163 25948 937 1 20 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.719 -0.070 25948 938 1 20 . 1 1 26 26 HIS H H 26 8.651 8.651 8.766 -0.115 25948 939 1 20 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.716 -0.022 25948 940 1 20 . 1 1 27 27 CYS H H 27 8.739 8.739 8.868 -0.129 25948 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 25948 2 1 1 "Average Difference" HA 30 0.224 -0.019 0.227 25948 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25948 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25948 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25948 6 1 1 "Average Difference" HN 25 0.427 -0.127 0.417 25948 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25948 8 1 2 "Average Difference" HA 30 0.224 -0.060 0.219 25948 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25948 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25948 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25948 12 1 2 "Average Difference" HN 25 0.478 -0.113 0.474 25948 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25948 14 1 3 "Average Difference" HA 30 0.224 -0.066 0.218 25948 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25948 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25948 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25948 18 1 3 "Average Difference" HN 25 0.520 -0.207 0.486 25948 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25948 20 1 4 "Average Difference" HA 30 0.195 -0.017 0.198 25948 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25948 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25948 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25948 24 1 4 "Average Difference" HN 25 0.514 -0.169 0.495 25948 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25948 26 1 5 "Average Difference" HA 30 0.216 -0.092 0.199 25948 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25948 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25948 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25948 30 1 5 "Average Difference" HN 25 0.554 -0.231 0.515 25948 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25948 32 1 6 "Average Difference" HA 30 0.200 -0.092 0.181 25948 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25948 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25948 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25948 36 1 6 "Average Difference" HN 25 0.459 -0.117 0.454 25948 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25948 38 1 7 "Average Difference" HA 30 0.203 -0.037 0.203 25948 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25948 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25948 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25948 42 1 7 "Average Difference" HN 25 0.618 -0.143 0.614 25948 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25948 44 1 8 "Average Difference" HA 30 0.241 -0.026 0.243 25948 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25948 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25948 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25948 48 1 8 "Average Difference" HN 25 0.494 -0.138 0.484 25948 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25948 50 1 9 "Average Difference" HA 30 0.225 -0.064 0.219 25948 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25948 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25948 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25948 54 1 9 "Average Difference" HN 25 0.497 -0.247 0.439 25948 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25948 56 1 10 "Average Difference" HA 30 0.210 -0.074 0.200 25948 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25948 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25948 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25948 60 1 10 "Average Difference" HN 25 0.494 -0.246 0.437 25948 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25948 62 1 11 "Average Difference" HA 30 0.232 -0.076 0.223 25948 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25948 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25948 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25948 66 1 11 "Average Difference" HN 25 0.498 -0.226 0.453 25948 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25948 68 1 12 "Average Difference" HA 30 0.246 -0.003 0.250 25948 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25948 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25948 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25948 72 1 12 "Average Difference" HN 25 0.435 -0.219 0.383 25948 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25948 74 1 13 "Average Difference" HA 30 0.233 -0.111 0.208 25948 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25948 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25948 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25948 78 1 13 "Average Difference" HN 25 0.498 -0.100 0.498 25948 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25948 80 1 14 "Average Difference" HA 30 0.190 -0.056 0.185 25948 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25948 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25948 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25948 84 1 14 "Average Difference" HN 25 0.424 -0.178 0.392 25948 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25948 86 1 15 "Average Difference" HA 30 0.208 -0.021 0.210 25948 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25948 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25948 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25948 90 1 15 "Average Difference" HN 25 0.514 -0.138 0.506 25948 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25948 92 1 16 "Average Difference" HA 30 0.226 -0.063 0.220 25948 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25948 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25948 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25948 96 1 16 "Average Difference" HN 25 0.471 -0.240 0.413 25948 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25948 98 1 17 "Average Difference" HA 30 0.249 -0.011 0.253 25948 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25948 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25948 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25948 102 1 17 "Average Difference" HN 25 0.452 -0.050 0.458 25948 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25948 104 1 18 "Average Difference" HA 30 0.279 -0.076 0.273 25948 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25948 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25948 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25948 108 1 18 "Average Difference" HN 25 0.644 -0.266 0.598 25948 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25948 110 1 19 "Average Difference" HA 30 0.239 -0.049 0.238 25948 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25948 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25948 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25948 114 1 19 "Average Difference" HN 25 0.464 -0.254 0.397 25948 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25948 116 1 20 "Average Difference" HA 30 0.241 -0.094 0.226 25948 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25948 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25948 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25948 120 1 20 "Average Difference" HN 25 0.584 -0.194 0.562 25948 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 25948 _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 GLY H H 2 8.944 8.944 8.408 0.536 25948 2 1 . 1 1 3 3 GLU HA H 3 4.400 4.400 4.404 -0.004 25948 3 1 . 1 1 3 3 GLU H H 3 8.773 8.773 8.291 0.482 25948 4 1 . 1 1 4 4 GLY H H 4 8.650 8.650 8.546 0.104 25948 5 1 . 1 1 5 5 THR HA H 5 4.278 4.278 4.275 0.003 25948 6 1 . 1 1 5 5 THR H H 5 8.104 8.104 8.093 0.011 25948 7 1 . 1 1 6 6 PHE HA H 6 4.636 4.636 4.723 -0.087 25948 8 1 . 1 1 6 6 PHE H H 6 8.457 8.457 8.216 0.241 25948 9 1 . 1 1 7 7 THR HA H 7 4.267 4.267 4.334 -0.067 25948 10 1 . 1 1 7 7 THR H H 7 8.127 8.127 8.187 -0.060 25948 11 1 . 1 1 8 8 SER HA H 8 4.363 4.363 4.249 0.114 25948 12 1 . 1 1 8 8 SER H H 8 8.355 8.355 7.513 0.842 25948 13 1 . 1 1 9 9 ASP HA H 9 4.667 4.667 4.741 -0.074 25948 14 1 . 1 1 9 9 ASP H H 9 8.589 8.589 7.693 0.896 25948 15 1 . 1 1 10 10 CYS HA H 10 4.610 4.610 4.268 0.342 25948 16 1 . 1 1 10 10 CYS H H 10 8.578 8.578 8.876 -0.298 25948 17 1 . 1 1 11 11 SER HA H 11 4.102 4.102 4.172 -0.070 25948 18 1 . 1 1 11 11 SER H H 11 8.492 8.492 8.611 -0.119 25948 19 1 . 1 1 12 12 LYS HA H 12 4.105 4.105 4.088 0.017 25948 20 1 . 1 1 12 12 LYS H H 12 7.752 7.752 7.778 -0.026 25948 21 1 . 1 1 13 13 GLN HA H 13 3.944 3.944 4.117 -0.173 25948 22 1 . 1 1 13 13 GLN H H 13 8.230 8.230 8.151 0.079 25948 23 1 . 1 1 14 14 CYS HA H 14 4.514 4.514 4.311 0.203 25948 24 1 . 1 1 14 14 CYS H H 14 8.716 8.716 8.156 0.560 25948 25 1 . 1 1 15 15 GLU HA H 15 4.274 4.274 4.127 0.147 25948 26 1 . 1 1 15 15 GLU H H 15 7.885 7.885 8.101 -0.216 25948 27 1 . 1 1 16 16 GLU HA H 16 4.306 4.306 4.290 0.016 25948 28 1 . 1 1 16 16 GLU H H 16 7.962 7.962 8.160 -0.198 25948 29 1 . 1 1 17 17 GLY H H 17 7.994 7.994 7.698 0.296 25948 30 1 . 1 1 18 18 ILE HA H 18 4.342 4.342 4.261 0.081 25948 31 1 . 1 1 18 18 ILE H H 18 7.936 7.936 8.442 -0.506 25948 32 1 . 1 1 19 19 GLY H H 19 8.643 8.643 8.616 0.027 25948 33 1 . 1 1 20 20 HIS HA H 20 4.490 4.490 4.380 0.110 25948 34 1 . 1 1 20 20 HIS H H 20 8.409 8.409 7.883 0.526 25948 35 1 . 1 1 21 21 LYS HA H 21 4.073 4.073 3.635 0.438 25948 36 1 . 1 1 21 21 LYS H H 21 7.977 7.977 8.426 -0.449 25948 37 1 . 1 1 22 22 TYR HA H 22 4.728 4.728 4.373 0.355 25948 38 1 . 1 1 22 22 TYR H H 22 8.145 8.145 7.321 0.824 25948 39 1 . 1 1 23 23 PRO HA H 23 4.232 4.232 4.218 0.014 25948 40 1 . 1 1 24 24 PHE HA H 24 4.479 4.479 4.811 -0.332 25948 41 1 . 1 1 24 24 PHE H H 24 7.487 7.487 6.759 0.728 25948 42 1 . 1 1 25 25 CYS HA H 25 4.829 4.829 4.803 0.026 25948 43 1 . 1 1 25 25 CYS H H 25 7.692 7.692 7.424 0.268 25948 44 1 . 1 1 26 26 HIS HA H 26 4.649 4.649 4.759 -0.110 25948 45 1 . 1 1 26 26 HIS H H 26 8.651 8.651 8.570 0.081 25948 46 1 . 1 1 27 27 CYS HA H 27 4.694 4.694 4.738 -0.044 25948 47 1 . 1 1 27 27 CYS H H 27 8.739 8.739 8.859 -0.120 25948 stop_ save_