data_19679 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19679 _Entry.PDB_ID 2MIH 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 19679 _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 GLN N N 2 124.366 124.366 121.100 3.266 19679 2 1 1 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.378 0.053 19679 3 1 1 . 1 1 2 2 GLN CA C 2 55.707 55.707 56.816 -1.109 19679 4 1 1 . 1 1 2 2 GLN CB C 2 33.652 33.652 30.175 3.477 19679 5 1 1 . 1 1 2 2 GLN H H 2 8.853 8.853 8.605 0.248 19679 6 1 1 . 1 1 3 3 VAL N N 3 124.217 124.217 118.909 5.308 19679 7 1 1 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.588 -0.152 19679 8 1 1 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.460 0.591 19679 9 1 1 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.885 1.638 19679 10 1 1 . 1 1 3 3 VAL H H 3 8.506 8.506 8.000 0.506 19679 11 1 1 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.881 -0.514 19679 12 1 1 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.052 1.540 19679 13 1 1 . 1 1 5 5 SER N N 5 116.653 116.653 113.436 3.217 19679 14 1 1 . 1 1 5 5 SER HA H 5 4.451 4.451 4.684 -0.233 19679 15 1 1 . 1 1 5 5 SER CA C 5 58.328 58.328 58.218 0.110 19679 16 1 1 . 1 1 5 5 SER CB C 5 64.082 64.082 63.646 0.436 19679 17 1 1 . 1 1 5 5 SER H H 5 8.429 8.429 8.853 -0.424 19679 18 1 1 . 1 1 6 6 GLY N N 6 110.693 110.693 110.419 0.274 19679 19 1 1 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.524 -0.929 19679 20 1 1 . 1 1 6 6 GLY H H 6 8.242 8.242 7.625 0.617 19679 21 1 1 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.729 -0.335 19679 22 1 1 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.169 -0.136 19679 23 1 1 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.974 0.168 19679 24 1 1 . 1 1 8 8 ASN N N 8 119.743 119.743 116.256 3.487 19679 25 1 1 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.679 -0.021 19679 26 1 1 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.626 2.593 19679 27 1 1 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.894 -0.002 19679 28 1 1 . 1 1 8 8 ASN H H 8 8.332 8.332 7.670 0.662 19679 29 1 1 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.540 0.035 19679 30 1 1 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.218 -0.841 19679 31 1 1 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.866 0.179 19679 32 1 1 . 1 1 10 10 LEU N N 10 120.411 120.411 121.463 -1.052 19679 33 1 1 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.406 -0.187 19679 34 1 1 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.767 0.517 19679 35 1 1 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.783 1.263 19679 36 1 1 . 1 1 10 10 LEU H H 10 8.160 8.160 8.431 -0.271 19679 37 1 1 . 1 1 11 11 HIS N N 11 118.056 118.056 116.768 1.288 19679 38 1 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.578 0.100 19679 39 1 1 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.055 -1.087 19679 40 1 1 . 1 1 11 11 HIS H H 11 8.288 8.288 7.547 0.741 19679 41 1 1 . 1 1 13 13 LYS N N 13 105.346 105.346 115.482 -10.136 19679 42 1 1 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.731 0.533 19679 43 1 1 . 1 1 13 13 LYS CA C 13 56.223 56.223 58.715 -2.492 19679 44 1 1 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.886 0.582 19679 45 1 1 . 1 1 13 13 LYS H H 13 8.305 8.305 8.424 -0.119 19679 46 1 2 . 1 1 2 2 GLN N N 2 124.366 124.366 120.206 4.160 19679 47 1 2 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.310 0.121 19679 48 1 2 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.416 -1.709 19679 49 1 2 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.748 3.904 19679 50 1 2 . 1 1 2 2 GLN H H 2 8.853 8.853 8.685 0.168 19679 51 1 2 . 1 1 3 3 VAL N N 3 124.217 124.217 118.851 5.366 19679 52 1 2 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.428 0.008 19679 53 1 2 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.596 -0.545 19679 54 1 2 . 1 1 3 3 VAL CB C 3 32.523 32.523 32.079 0.444 19679 55 1 2 . 1 1 3 3 VAL H H 3 8.506 8.506 8.046 0.460 19679 56 1 2 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.786 -0.419 19679 57 1 2 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.922 1.670 19679 58 1 2 . 1 1 5 5 SER N N 5 116.653 116.653 113.839 2.814 19679 59 1 2 . 1 1 5 5 SER HA H 5 4.451 4.451 4.702 -0.251 19679 60 1 2 . 1 1 5 5 SER CA C 5 58.328 58.328 58.102 0.226 19679 61 1 2 . 1 1 5 5 SER CB C 5 64.082 64.082 63.795 0.287 19679 62 1 2 . 1 1 5 5 SER H H 5 8.429 8.429 8.427 0.002 19679 63 1 2 . 1 1 6 6 GLY N N 6 110.693 110.693 109.424 1.269 19679 64 1 2 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.355 -0.760 19679 65 1 2 . 1 1 6 6 GLY H H 6 8.242 8.242 7.615 0.627 19679 66 1 2 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.341 0.053 19679 67 1 2 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.408 0.625 19679 68 1 2 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.255 -0.113 19679 69 1 2 . 1 1 8 8 ASN N N 8 119.743 119.743 115.704 4.039 19679 70 1 2 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.670 -0.011 19679 71 1 2 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.473 0.746 19679 72 1 2 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.403 0.489 19679 73 1 2 . 1 1 8 8 ASN H H 8 8.332 8.332 8.193 0.139 19679 74 1 2 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.354 0.221 19679 75 1 2 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.483 -1.105 19679 76 1 2 . 1 1 9 9 PRO CB C 9 32.045 32.045 29.876 2.169 19679 77 1 2 . 1 1 10 10 LEU N N 10 120.411 120.411 122.547 -2.136 19679 78 1 2 . 1 1 10 10 LEU HA H 10 4.219 4.219 3.929 0.290 19679 79 1 2 . 1 1 10 10 LEU CA C 10 55.284 55.284 56.255 -0.971 19679 80 1 2 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.601 1.445 19679 81 1 2 . 1 1 10 10 LEU H H 10 8.160 8.160 8.835 -0.675 19679 82 1 2 . 1 1 11 11 HIS N N 11 118.056 118.056 114.985 3.071 19679 83 1 2 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.299 0.379 19679 84 1 2 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.096 -2.128 19679 85 1 2 . 1 1 11 11 HIS H H 11 8.288 8.288 8.633 -0.345 19679 86 1 2 . 1 1 13 13 LYS N N 13 105.346 105.346 118.631 -13.285 19679 87 1 2 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.519 -0.255 19679 88 1 2 . 1 1 13 13 LYS CA C 13 56.223 56.223 55.738 0.485 19679 89 1 2 . 1 1 13 13 LYS CB C 13 32.468 32.468 36.535 -4.067 19679 90 1 2 . 1 1 13 13 LYS H H 13 8.305 8.305 7.580 0.725 19679 91 1 3 . 1 1 2 2 GLN N N 2 124.366 124.366 122.825 1.541 19679 92 1 3 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.235 0.196 19679 93 1 3 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.632 -1.925 19679 94 1 3 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.549 4.103 19679 95 1 3 . 1 1 2 2 GLN H H 2 8.853 8.853 8.588 0.265 19679 96 1 3 . 1 1 3 3 VAL N N 3 124.217 124.217 118.445 5.772 19679 97 1 3 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.528 -0.092 19679 98 1 3 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.103 -0.052 19679 99 1 3 . 1 1 3 3 VAL CB C 3 32.523 32.523 32.174 0.349 19679 100 1 3 . 1 1 3 3 VAL H H 3 8.506 8.506 7.868 0.638 19679 101 1 3 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.774 -0.407 19679 102 1 3 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.766 1.826 19679 103 1 3 . 1 1 5 5 SER N N 5 116.653 116.653 114.938 1.715 19679 104 1 3 . 1 1 5 5 SER HA H 5 4.451 4.451 4.694 -0.243 19679 105 1 3 . 1 1 5 5 SER CA C 5 58.328 58.328 57.873 0.455 19679 106 1 3 . 1 1 5 5 SER CB C 5 64.082 64.082 62.820 1.262 19679 107 1 3 . 1 1 5 5 SER H H 5 8.429 8.429 8.636 -0.207 19679 108 1 3 . 1 1 6 6 GLY N N 6 110.693 110.693 110.254 0.439 19679 109 1 3 . 1 1 6 6 GLY CA C 6 44.595 44.595 44.892 -0.297 19679 110 1 3 . 1 1 6 6 GLY H H 6 8.242 8.242 7.720 0.522 19679 111 1 3 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.450 -0.056 19679 112 1 3 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.130 -0.097 19679 113 1 3 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.136 0.006 19679 114 1 3 . 1 1 8 8 ASN N N 8 119.743 119.743 119.494 0.249 19679 115 1 3 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.515 0.144 19679 116 1 3 . 1 1 8 8 ASN CA C 8 53.219 53.219 53.373 -0.154 19679 117 1 3 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.363 -0.471 19679 118 1 3 . 1 1 8 8 ASN H H 8 8.332 8.332 8.626 -0.294 19679 119 1 3 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.527 0.048 19679 120 1 3 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.069 -0.692 19679 121 1 3 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.470 0.575 19679 122 1 3 . 1 1 10 10 LEU N N 10 120.411 120.411 124.020 -3.609 19679 123 1 3 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.094 0.125 19679 124 1 3 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.803 0.481 19679 125 1 3 . 1 1 10 10 LEU CB C 10 42.046 42.046 42.412 -0.366 19679 126 1 3 . 1 1 10 10 LEU H H 10 8.160 8.160 8.043 0.117 19679 127 1 3 . 1 1 11 11 HIS N N 11 118.056 118.056 119.460 -1.404 19679 128 1 3 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.287 0.391 19679 129 1 3 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.768 -2.800 19679 130 1 3 . 1 1 11 11 HIS H H 11 8.288 8.288 8.477 -0.189 19679 131 1 3 . 1 1 13 13 LYS N N 13 105.346 105.346 117.599 -12.253 19679 132 1 3 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.477 -0.213 19679 133 1 3 . 1 1 13 13 LYS CA C 13 56.223 56.223 56.261 -0.038 19679 134 1 3 . 1 1 13 13 LYS CB C 13 32.468 32.468 34.037 -1.569 19679 135 1 3 . 1 1 13 13 LYS H H 13 8.305 8.305 7.965 0.340 19679 136 1 4 . 1 1 2 2 GLN N N 2 124.366 124.366 123.372 0.994 19679 137 1 4 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.237 0.194 19679 138 1 4 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.987 -2.280 19679 139 1 4 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.465 4.187 19679 140 1 4 . 1 1 2 2 GLN H H 2 8.853 8.853 8.421 0.432 19679 141 1 4 . 1 1 3 3 VAL N N 3 124.217 124.217 113.116 11.101 19679 142 1 4 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.595 -0.159 19679 143 1 4 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.025 1.026 19679 144 1 4 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.341 1.182 19679 145 1 4 . 1 1 3 3 VAL H H 3 8.506 8.506 8.160 0.346 19679 146 1 4 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.824 -0.457 19679 147 1 4 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.165 1.427 19679 148 1 4 . 1 1 5 5 SER N N 5 116.653 116.653 114.315 2.338 19679 149 1 4 . 1 1 5 5 SER HA H 5 4.451 4.451 4.616 -0.165 19679 150 1 4 . 1 1 5 5 SER CA C 5 58.328 58.328 58.296 0.032 19679 151 1 4 . 1 1 5 5 SER CB C 5 64.082 64.082 63.174 0.908 19679 152 1 4 . 1 1 5 5 SER H H 5 8.429 8.429 8.704 -0.275 19679 153 1 4 . 1 1 6 6 GLY N N 6 110.693 110.693 109.910 0.783 19679 154 1 4 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.807 -1.212 19679 155 1 4 . 1 1 6 6 GLY H H 6 8.242 8.242 7.716 0.526 19679 156 1 4 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.658 -0.264 19679 157 1 4 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.011 0.022 19679 158 1 4 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.828 0.314 19679 159 1 4 . 1 1 8 8 ASN N N 8 119.743 119.743 116.175 3.568 19679 160 1 4 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.645 0.014 19679 161 1 4 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.703 2.516 19679 162 1 4 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.450 0.442 19679 163 1 4 . 1 1 8 8 ASN H H 8 8.332 8.332 7.619 0.713 19679 164 1 4 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.446 0.129 19679 165 1 4 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.826 -0.449 19679 166 1 4 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.088 -0.043 19679 167 1 4 . 1 1 10 10 LEU N N 10 120.411 120.411 126.846 -6.435 19679 168 1 4 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.361 -0.142 19679 169 1 4 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.294 0.990 19679 170 1 4 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.433 0.613 19679 171 1 4 . 1 1 10 10 LEU H H 10 8.160 8.160 8.136 0.024 19679 172 1 4 . 1 1 11 11 HIS N N 11 118.056 118.056 117.391 0.665 19679 173 1 4 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.644 0.034 19679 174 1 4 . 1 1 11 11 HIS CA C 11 54.968 54.968 54.919 0.049 19679 175 1 4 . 1 1 11 11 HIS H H 11 8.288 8.288 7.835 0.453 19679 176 1 4 . 1 1 13 13 LYS N N 13 105.346 105.346 120.175 -14.829 19679 177 1 4 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.359 -0.095 19679 178 1 4 . 1 1 13 13 LYS CA C 13 56.223 56.223 55.524 0.699 19679 179 1 4 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.835 1.633 19679 180 1 4 . 1 1 13 13 LYS H H 13 8.305 8.305 8.148 0.157 19679 181 1 5 . 1 1 2 2 GLN N N 2 124.366 124.366 120.568 3.798 19679 182 1 5 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.311 0.120 19679 183 1 5 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.519 -1.812 19679 184 1 5 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.913 3.739 19679 185 1 5 . 1 1 2 2 GLN H H 2 8.853 8.853 8.778 0.075 19679 186 1 5 . 1 1 3 3 VAL N N 3 124.217 124.217 113.181 11.036 19679 187 1 5 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.606 -0.170 19679 188 1 5 . 1 1 3 3 VAL CA C 3 60.051 60.051 58.556 1.496 19679 189 1 5 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.112 1.411 19679 190 1 5 . 1 1 3 3 VAL H H 3 8.506 8.506 7.989 0.517 19679 191 1 5 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.943 -0.576 19679 192 1 5 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.074 1.518 19679 193 1 5 . 1 1 5 5 SER N N 5 116.653 116.653 113.797 2.856 19679 194 1 5 . 1 1 5 5 SER HA H 5 4.451 4.451 4.585 -0.134 19679 195 1 5 . 1 1 5 5 SER CA C 5 58.328 58.328 57.376 0.952 19679 196 1 5 . 1 1 5 5 SER CB C 5 64.082 64.082 63.593 0.489 19679 197 1 5 . 1 1 5 5 SER H H 5 8.429 8.429 8.639 -0.210 19679 198 1 5 . 1 1 6 6 GLY N N 6 110.693 110.693 110.732 -0.039 19679 199 1 5 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.751 -1.156 19679 200 1 5 . 1 1 6 6 GLY H H 6 8.242 8.242 7.569 0.673 19679 201 1 5 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.353 0.041 19679 202 1 5 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.314 0.719 19679 203 1 5 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.524 1.618 19679 204 1 5 . 1 1 8 8 ASN N N 8 119.743 119.743 114.850 4.893 19679 205 1 5 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.739 -0.080 19679 206 1 5 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.724 2.495 19679 207 1 5 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.109 0.783 19679 208 1 5 . 1 1 8 8 ASN H H 8 8.332 8.332 7.432 0.900 19679 209 1 5 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.548 0.027 19679 210 1 5 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.788 -0.411 19679 211 1 5 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.098 -0.053 19679 212 1 5 . 1 1 10 10 LEU N N 10 120.411 120.411 126.264 -5.853 19679 213 1 5 . 1 1 10 10 LEU HA H 10 4.219 4.219 3.971 0.248 19679 214 1 5 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.764 -0.480 19679 215 1 5 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.914 1.132 19679 216 1 5 . 1 1 10 10 LEU H H 10 8.160 8.160 7.759 0.401 19679 217 1 5 . 1 1 11 11 HIS N N 11 118.056 118.056 119.493 -1.437 19679 218 1 5 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.356 0.322 19679 219 1 5 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.541 -2.573 19679 220 1 5 . 1 1 11 11 HIS H H 11 8.288 8.288 8.502 -0.214 19679 221 1 5 . 1 1 13 13 LYS N N 13 105.346 105.346 117.629 -12.283 19679 222 1 5 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.827 0.437 19679 223 1 5 . 1 1 13 13 LYS CA C 13 56.223 56.223 58.752 -2.529 19679 224 1 5 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.927 1.541 19679 225 1 5 . 1 1 13 13 LYS H H 13 8.305 8.305 8.345 -0.040 19679 226 1 6 . 1 1 2 2 GLN N N 2 124.366 124.366 122.359 2.007 19679 227 1 6 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.493 -0.062 19679 228 1 6 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.097 0.610 19679 229 1 6 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.451 4.201 19679 230 1 6 . 1 1 2 2 GLN H H 2 8.853 8.853 8.372 0.481 19679 231 1 6 . 1 1 3 3 VAL N N 3 124.217 124.217 120.847 3.370 19679 232 1 6 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.774 0.662 19679 233 1 6 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.005 -1.954 19679 234 1 6 . 1 1 3 3 VAL CB C 3 32.523 32.523 29.962 2.561 19679 235 1 6 . 1 1 3 3 VAL H H 3 8.506 8.506 8.950 -0.444 19679 236 1 6 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.911 -0.544 19679 237 1 6 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.861 0.731 19679 238 1 6 . 1 1 5 5 SER N N 5 116.653 116.653 115.367 1.286 19679 239 1 6 . 1 1 5 5 SER HA H 5 4.451 4.451 4.719 -0.268 19679 240 1 6 . 1 1 5 5 SER CA C 5 58.328 58.328 58.321 0.007 19679 241 1 6 . 1 1 5 5 SER CB C 5 64.082 64.082 63.682 0.400 19679 242 1 6 . 1 1 5 5 SER H H 5 8.429 8.429 8.634 -0.205 19679 243 1 6 . 1 1 6 6 GLY N N 6 110.693 110.693 110.262 0.431 19679 244 1 6 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.886 -1.291 19679 245 1 6 . 1 1 6 6 GLY H H 6 8.242 8.242 7.560 0.682 19679 246 1 6 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.609 -0.214 19679 247 1 6 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.445 0.588 19679 248 1 6 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.285 1.857 19679 249 1 6 . 1 1 8 8 ASN N N 8 119.743 119.743 118.244 1.499 19679 250 1 6 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.372 0.287 19679 251 1 6 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.363 0.856 19679 252 1 6 . 1 1 8 8 ASN CB C 8 38.892 38.892 40.891 -1.999 19679 253 1 6 . 1 1 8 8 ASN H H 8 8.332 8.332 7.851 0.481 19679 254 1 6 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.544 0.031 19679 255 1 6 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.644 -1.267 19679 256 1 6 . 1 1 9 9 PRO CB C 9 32.045 32.045 30.045 2.000 19679 257 1 6 . 1 1 10 10 LEU N N 10 120.411 120.411 122.126 -1.715 19679 258 1 6 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.416 -0.197 19679 259 1 6 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.464 0.820 19679 260 1 6 . 1 1 10 10 LEU CB C 10 42.046 42.046 39.927 2.119 19679 261 1 6 . 1 1 10 10 LEU H H 10 8.160 8.160 8.420 -0.260 19679 262 1 6 . 1 1 11 11 HIS N N 11 118.056 118.056 118.568 -0.512 19679 263 1 6 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.560 0.118 19679 264 1 6 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.395 -2.427 19679 265 1 6 . 1 1 11 11 HIS H H 11 8.288 8.288 7.674 0.614 19679 266 1 6 . 1 1 13 13 LYS N N 13 105.346 105.346 116.146 -10.800 19679 267 1 6 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.908 0.356 19679 268 1 6 . 1 1 13 13 LYS CA C 13 56.223 56.223 56.547 -0.324 19679 269 1 6 . 1 1 13 13 LYS CB C 13 32.468 32.468 30.561 1.907 19679 270 1 6 . 1 1 13 13 LYS H H 13 8.305 8.305 8.052 0.253 19679 271 1 7 . 1 1 2 2 GLN N N 2 124.366 124.366 123.258 1.108 19679 272 1 7 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.439 -0.008 19679 273 1 7 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.042 0.665 19679 274 1 7 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.172 4.480 19679 275 1 7 . 1 1 2 2 GLN H H 2 8.853 8.853 8.505 0.348 19679 276 1 7 . 1 1 3 3 VAL N N 3 124.217 124.217 120.629 3.588 19679 277 1 7 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.796 0.640 19679 278 1 7 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.593 -2.542 19679 279 1 7 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.304 2.219 19679 280 1 7 . 1 1 3 3 VAL H H 3 8.506 8.506 8.789 -0.283 19679 281 1 7 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.979 -0.612 19679 282 1 7 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.887 1.705 19679 283 1 7 . 1 1 5 5 SER N N 5 116.653 116.653 116.100 0.553 19679 284 1 7 . 1 1 5 5 SER HA H 5 4.451 4.451 4.721 -0.270 19679 285 1 7 . 1 1 5 5 SER CA C 5 58.328 58.328 57.863 0.465 19679 286 1 7 . 1 1 5 5 SER CB C 5 64.082 64.082 63.524 0.558 19679 287 1 7 . 1 1 5 5 SER H H 5 8.429 8.429 8.883 -0.454 19679 288 1 7 . 1 1 6 6 GLY N N 6 110.693 110.693 110.620 0.073 19679 289 1 7 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.880 -1.285 19679 290 1 7 . 1 1 6 6 GLY H H 6 8.242 8.242 7.695 0.547 19679 291 1 7 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.495 -0.101 19679 292 1 7 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.489 0.544 19679 293 1 7 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.623 1.519 19679 294 1 7 . 1 1 8 8 ASN N N 8 119.743 119.743 118.554 1.189 19679 295 1 7 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.818 -0.159 19679 296 1 7 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.827 1.392 19679 297 1 7 . 1 1 8 8 ASN CB C 8 38.892 38.892 41.003 -2.111 19679 298 1 7 . 1 1 8 8 ASN H H 8 8.332 8.332 7.774 0.558 19679 299 1 7 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.506 0.069 19679 300 1 7 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.029 -0.652 19679 301 1 7 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.847 0.198 19679 302 1 7 . 1 1 10 10 LEU N N 10 120.411 120.411 127.784 -7.373 19679 303 1 7 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.314 -0.095 19679 304 1 7 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.962 0.322 19679 305 1 7 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.564 0.482 19679 306 1 7 . 1 1 10 10 LEU H H 10 8.160 8.160 7.974 0.186 19679 307 1 7 . 1 1 11 11 HIS N N 11 118.056 118.056 123.131 -5.075 19679 308 1 7 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.127 0.551 19679 309 1 7 . 1 1 11 11 HIS CA C 11 54.968 54.968 57.505 -2.537 19679 310 1 7 . 1 1 11 11 HIS H H 11 8.288 8.288 8.285 0.003 19679 311 1 7 . 1 1 13 13 LYS N N 13 105.346 105.346 117.092 -11.746 19679 312 1 7 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.907 0.357 19679 313 1 7 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.124 -0.901 19679 314 1 7 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.330 1.138 19679 315 1 7 . 1 1 13 13 LYS H H 13 8.305 8.305 8.110 0.195 19679 316 1 8 . 1 1 2 2 GLN N N 2 124.366 124.366 123.668 0.698 19679 317 1 8 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.242 0.189 19679 318 1 8 . 1 1 2 2 GLN CA C 2 55.707 55.707 57.863 -2.156 19679 319 1 8 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.635 4.017 19679 320 1 8 . 1 1 2 2 GLN H H 2 8.853 8.853 8.749 0.104 19679 321 1 8 . 1 1 3 3 VAL N N 3 124.217 124.217 112.544 11.673 19679 322 1 8 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.551 -0.115 19679 323 1 8 . 1 1 3 3 VAL CA C 3 60.051 60.051 59.246 0.805 19679 324 1 8 . 1 1 3 3 VAL CB C 3 32.523 32.523 31.829 0.694 19679 325 1 8 . 1 1 3 3 VAL H H 3 8.506 8.506 8.278 0.228 19679 326 1 8 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.791 -0.424 19679 327 1 8 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.249 1.343 19679 328 1 8 . 1 1 5 5 SER N N 5 116.653 116.653 115.602 1.051 19679 329 1 8 . 1 1 5 5 SER HA H 5 4.451 4.451 4.627 -0.176 19679 330 1 8 . 1 1 5 5 SER CA C 5 58.328 58.328 57.382 0.946 19679 331 1 8 . 1 1 5 5 SER CB C 5 64.082 64.082 63.659 0.423 19679 332 1 8 . 1 1 5 5 SER H H 5 8.429 8.429 8.809 -0.380 19679 333 1 8 . 1 1 6 6 GLY N N 6 110.693 110.693 110.139 0.554 19679 334 1 8 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.477 -0.882 19679 335 1 8 . 1 1 6 6 GLY H H 6 8.242 8.242 7.635 0.607 19679 336 1 8 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.539 -0.145 19679 337 1 8 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.694 0.339 19679 338 1 8 . 1 1 7 7 PRO CB C 7 32.142 32.142 30.434 1.708 19679 339 1 8 . 1 1 8 8 ASN N N 8 119.743 119.743 118.416 1.327 19679 340 1 8 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.453 0.206 19679 341 1 8 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.925 1.294 19679 342 1 8 . 1 1 8 8 ASN CB C 8 38.892 38.892 40.283 -1.391 19679 343 1 8 . 1 1 8 8 ASN H H 8 8.332 8.332 7.637 0.695 19679 344 1 8 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.257 0.318 19679 345 1 8 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.109 -0.732 19679 346 1 8 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.974 0.071 19679 347 1 8 . 1 1 10 10 LEU N N 10 120.411 120.411 126.936 -6.525 19679 348 1 8 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.073 0.146 19679 349 1 8 . 1 1 10 10 LEU CA C 10 55.284 55.284 54.745 0.539 19679 350 1 8 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.770 0.276 19679 351 1 8 . 1 1 10 10 LEU H H 10 8.160 8.160 8.152 0.008 19679 352 1 8 . 1 1 11 11 HIS N N 11 118.056 118.056 122.568 -4.512 19679 353 1 8 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.227 0.451 19679 354 1 8 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.776 -1.808 19679 355 1 8 . 1 1 11 11 HIS H H 11 8.288 8.288 8.114 0.174 19679 356 1 8 . 1 1 13 13 LYS N N 13 105.346 105.346 113.958 -8.612 19679 357 1 8 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.860 0.404 19679 358 1 8 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.733 -1.510 19679 359 1 8 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.314 1.155 19679 360 1 8 . 1 1 13 13 LYS H H 13 8.305 8.305 8.324 -0.019 19679 361 1 9 . 1 1 2 2 GLN N N 2 124.366 124.366 123.333 1.033 19679 362 1 9 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.413 0.018 19679 363 1 9 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.396 0.311 19679 364 1 9 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.236 4.416 19679 365 1 9 . 1 1 2 2 GLN H H 2 8.853 8.853 8.667 0.186 19679 366 1 9 . 1 1 3 3 VAL N N 3 124.217 124.217 120.986 3.231 19679 367 1 9 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.772 0.664 19679 368 1 9 . 1 1 3 3 VAL CA C 3 60.051 60.051 61.931 -1.880 19679 369 1 9 . 1 1 3 3 VAL CB C 3 32.523 32.523 29.736 2.787 19679 370 1 9 . 1 1 3 3 VAL H H 3 8.506 8.506 8.757 -0.251 19679 371 1 9 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.689 -0.322 19679 372 1 9 . 1 1 4 4 PRO CA C 4 63.592 63.592 61.708 1.884 19679 373 1 9 . 1 1 5 5 SER N N 5 116.653 116.653 114.892 1.761 19679 374 1 9 . 1 1 5 5 SER HA H 5 4.451 4.451 4.603 -0.152 19679 375 1 9 . 1 1 5 5 SER CA C 5 58.328 58.328 57.975 0.353 19679 376 1 9 . 1 1 5 5 SER CB C 5 64.082 64.082 63.070 1.012 19679 377 1 9 . 1 1 5 5 SER H H 5 8.429 8.429 8.732 -0.303 19679 378 1 9 . 1 1 6 6 GLY N N 6 110.693 110.693 110.467 0.226 19679 379 1 9 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.032 -0.437 19679 380 1 9 . 1 1 6 6 GLY H H 6 8.242 8.242 7.631 0.611 19679 381 1 9 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.306 0.088 19679 382 1 9 . 1 1 7 7 PRO CA C 7 63.033 63.033 63.163 -0.130 19679 383 1 9 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.283 0.859 19679 384 1 9 . 1 1 8 8 ASN N N 8 119.743 119.743 120.985 -1.242 19679 385 1 9 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.092 0.567 19679 386 1 9 . 1 1 8 8 ASN CA C 8 53.219 53.219 52.588 0.631 19679 387 1 9 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.395 -0.503 19679 388 1 9 . 1 1 8 8 ASN H H 8 8.332 8.332 8.416 -0.084 19679 389 1 9 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.241 0.334 19679 390 1 9 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.110 -0.733 19679 391 1 9 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.861 0.184 19679 392 1 9 . 1 1 10 10 LEU N N 10 120.411 120.411 123.899 -3.488 19679 393 1 9 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.157 0.062 19679 394 1 9 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.544 -0.260 19679 395 1 9 . 1 1 10 10 LEU CB C 10 42.046 42.046 42.942 -0.896 19679 396 1 9 . 1 1 10 10 LEU H H 10 8.160 8.160 8.148 0.012 19679 397 1 9 . 1 1 11 11 HIS N N 11 118.056 118.056 111.901 6.155 19679 398 1 9 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.611 0.067 19679 399 1 9 . 1 1 11 11 HIS CA C 11 54.968 54.968 54.758 0.210 19679 400 1 9 . 1 1 11 11 HIS H H 11 8.288 8.288 7.040 1.248 19679 401 1 9 . 1 1 13 13 LYS N N 13 105.346 105.346 114.416 -9.070 19679 402 1 9 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.933 0.331 19679 403 1 9 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.618 -1.395 19679 404 1 9 . 1 1 13 13 LYS CB C 13 32.468 32.468 32.578 -0.110 19679 405 1 9 . 1 1 13 13 LYS H H 13 8.305 8.305 8.287 0.018 19679 406 1 10 . 1 1 2 2 GLN N N 2 124.366 124.366 124.846 -0.480 19679 407 1 10 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.341 0.090 19679 408 1 10 . 1 1 2 2 GLN CA C 2 55.707 55.707 55.744 -0.037 19679 409 1 10 . 1 1 2 2 GLN CB C 2 33.652 33.652 28.957 4.695 19679 410 1 10 . 1 1 2 2 GLN H H 2 8.853 8.853 8.500 0.353 19679 411 1 10 . 1 1 3 3 VAL N N 3 124.217 124.217 121.459 2.758 19679 412 1 10 . 1 1 3 3 VAL HA H 3 4.436 4.436 3.893 0.543 19679 413 1 10 . 1 1 3 3 VAL CA C 3 60.051 60.051 62.650 -2.599 19679 414 1 10 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.397 2.126 19679 415 1 10 . 1 1 3 3 VAL H H 3 8.506 8.506 8.675 -0.169 19679 416 1 10 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.649 -0.282 19679 417 1 10 . 1 1 4 4 PRO CA C 4 63.592 63.592 63.147 0.445 19679 418 1 10 . 1 1 5 5 SER N N 5 116.653 116.653 114.279 2.374 19679 419 1 10 . 1 1 5 5 SER HA H 5 4.451 4.451 4.256 0.195 19679 420 1 10 . 1 1 5 5 SER CA C 5 58.328 58.328 59.027 -0.699 19679 421 1 10 . 1 1 5 5 SER CB C 5 64.082 64.082 61.993 2.089 19679 422 1 10 . 1 1 5 5 SER H H 5 8.429 8.429 8.630 -0.201 19679 423 1 10 . 1 1 6 6 GLY N N 6 110.693 110.693 107.958 2.735 19679 424 1 10 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.222 -0.627 19679 425 1 10 . 1 1 6 6 GLY H H 6 8.242 8.242 7.784 0.458 19679 426 1 10 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.725 -0.331 19679 427 1 10 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.958 0.075 19679 428 1 10 . 1 1 7 7 PRO CB C 7 32.142 32.142 32.018 0.124 19679 429 1 10 . 1 1 8 8 ASN N N 8 119.743 119.743 115.837 3.906 19679 430 1 10 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.286 0.373 19679 431 1 10 . 1 1 8 8 ASN CA C 8 53.219 53.219 50.788 2.431 19679 432 1 10 . 1 1 8 8 ASN CB C 8 38.892 38.892 38.751 0.141 19679 433 1 10 . 1 1 8 8 ASN H H 8 8.332 8.332 7.592 0.740 19679 434 1 10 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.284 0.291 19679 435 1 10 . 1 1 9 9 PRO CA C 9 62.377 62.377 62.777 -0.400 19679 436 1 10 . 1 1 9 9 PRO CB C 9 32.045 32.045 32.059 -0.014 19679 437 1 10 . 1 1 10 10 LEU N N 10 120.411 120.411 126.075 -5.664 19679 438 1 10 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.098 0.121 19679 439 1 10 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.073 0.211 19679 440 1 10 . 1 1 10 10 LEU CB C 10 42.046 42.046 40.636 1.410 19679 441 1 10 . 1 1 10 10 LEU H H 10 8.160 8.160 8.282 -0.122 19679 442 1 10 . 1 1 11 11 HIS N N 11 118.056 118.056 122.321 -4.265 19679 443 1 10 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.231 0.447 19679 444 1 10 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.380 -1.412 19679 445 1 10 . 1 1 11 11 HIS H H 11 8.288 8.288 8.530 -0.242 19679 446 1 10 . 1 1 13 13 LYS N N 13 105.346 105.346 114.667 -9.321 19679 447 1 10 . 1 1 13 13 LYS HA H 13 4.264 4.264 3.881 0.383 19679 448 1 10 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.407 -1.184 19679 449 1 10 . 1 1 13 13 LYS CB C 13 32.468 32.468 31.425 1.043 19679 450 1 10 . 1 1 13 13 LYS H H 13 8.305 8.305 8.322 -0.017 19679 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 8 4.568 -0.707 4.825 19679 2 1 1 "Average Difference" HA 12 0.257 0.065 0.259 19679 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19679 4 1 1 "Average Difference" CA 11 1.346 0.113 1.407 19679 5 1 1 "Average Difference" CB 8 1.456 -0.968 1.163 19679 6 1 1 "Average Difference" HN 8 0.494 -0.245 0.459 19679 7 1 2 "Average Difference" N 8 5.727 -0.662 6.082 19679 8 1 2 "Average Difference" HA 12 0.249 -0.056 0.253 19679 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19679 10 1 2 "Average Difference" CA 11 1.149 0.315 1.158 19679 11 1 2 "Average Difference" CB 8 2.211 -0.570 2.284 19679 12 1 2 "Average Difference" HN 8 0.468 -0.138 0.478 19679 13 1 3 "Average Difference" N 8 5.050 0.944 5.304 19679 14 1 3 "Average Difference" HA 12 0.246 -0.046 0.253 19679 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19679 16 1 3 "Average Difference" CA 11 1.203 0.299 1.222 19679 17 1 3 "Average Difference" CB 8 1.647 -0.486 1.682 19679 18 1 3 "Average Difference" HN 8 0.361 -0.149 0.352 19679 19 1 4 "Average Difference" N 8 7.113 0.227 7.600 19679 20 1 4 "Average Difference" HA 12 0.189 0.065 0.185 19679 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19679 22 1 4 "Average Difference" CA 11 1.271 -0.256 1.305 19679 23 1 4 "Average Difference" CB 8 1.699 -1.154 1.333 19679 24 1 4 "Average Difference" HN 8 0.418 -0.297 0.314 19679 25 1 5 "Average Difference" N 8 6.666 -0.371 7.115 19679 26 1 5 "Average Difference" HA 12 0.254 -0.033 0.263 19679 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19679 28 1 5 "Average Difference" CA 11 1.658 0.162 1.730 19679 29 1 5 "Average Difference" CB 8 1.699 -1.332 1.127 19679 30 1 5 "Average Difference" HN 8 0.473 -0.263 0.420 19679 31 1 6 "Average Difference" N 8 4.173 0.554 4.422 19679 32 1 6 "Average Difference" HA 12 0.308 -0.028 0.320 19679 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19679 34 1 6 "Average Difference" CA 11 1.196 0.332 1.205 19679 35 1 6 "Average Difference" CB 8 2.344 -1.631 1.799 19679 36 1 6 "Average Difference" HN 8 0.458 -0.200 0.440 19679 37 1 7 "Average Difference" N 8 5.407 2.210 5.276 19679 38 1 7 "Average Difference" HA 12 0.335 -0.039 0.347 19679 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19679 40 1 7 "Average Difference" CA 11 1.404 0.257 1.448 19679 41 1 7 "Average Difference" CB 8 2.050 -1.060 1.876 19679 42 1 7 "Average Difference" HN 8 0.369 -0.137 0.366 19679 43 1 8 "Average Difference" N 8 5.885 0.543 6.264 19679 44 1 8 "Average Difference" HA 12 0.262 -0.060 0.266 19679 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19679 46 1 8 "Average Difference" CA 11 1.241 0.165 1.290 19679 47 1 8 "Average Difference" CB 8 1.698 -0.869 1.559 19679 48 1 8 "Average Difference" HN 8 0.369 -0.177 0.346 19679 49 1 9 "Average Difference" N 8 4.309 0.174 4.602 19679 50 1 9 "Average Difference" HA 12 0.315 -0.167 0.279 19679 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19679 52 1 9 "Average Difference" CA 11 0.977 0.131 1.016 19679 53 1 9 "Average Difference" CB 8 1.941 -0.969 1.798 19679 54 1 9 "Average Difference" HN 8 0.516 -0.180 0.517 19679 55 1 10 "Average Difference" N 8 4.655 0.995 4.862 19679 56 1 10 "Average Difference" HA 12 0.305 -0.146 0.280 19679 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19679 58 1 10 "Average Difference" CA 11 1.256 0.345 1.266 19679 59 1 10 "Average Difference" CB 8 2.063 -1.452 1.567 19679 60 1 10 "Average Difference" HN 8 0.358 -0.100 0.367 19679 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 19679 _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 GLN N N 2 124.366 124.366 122.554 1.812 19679 2 1 . 1 1 2 2 GLN HA H 2 4.431 4.431 4.340 0.091 19679 3 1 . 1 1 2 2 GLN CA C 2 55.707 55.707 56.651 -0.944 19679 4 1 . 1 1 2 2 GLN CB C 2 33.652 33.652 29.530 4.122 19679 5 1 . 1 1 2 2 GLN H H 2 8.853 8.853 8.587 0.266 19679 6 1 . 1 1 3 3 VAL N N 3 124.217 124.217 117.897 6.320 19679 7 1 . 1 1 3 3 VAL HA H 3 4.436 4.436 4.253 0.183 19679 8 1 . 1 1 3 3 VAL CA C 3 60.051 60.051 60.616 -0.565 19679 9 1 . 1 1 3 3 VAL CB C 3 32.523 32.523 30.982 1.541 19679 10 1 . 1 1 3 3 VAL H H 3 8.506 8.506 8.351 0.155 19679 11 1 . 1 1 4 4 PRO HA H 4 4.367 4.367 4.823 -0.456 19679 12 1 . 1 1 4 4 PRO CA C 4 63.592 63.592 62.183 1.409 19679 13 1 . 1 1 5 5 SER N N 5 116.653 116.653 114.657 1.996 19679 14 1 . 1 1 5 5 SER HA H 5 4.451 4.451 4.621 -0.170 19679 15 1 . 1 1 5 5 SER CA C 5 58.328 58.328 58.043 0.285 19679 16 1 . 1 1 5 5 SER CB C 5 64.082 64.082 63.296 0.786 19679 17 1 . 1 1 5 5 SER H H 5 8.429 8.429 8.695 -0.266 19679 18 1 . 1 1 6 6 GLY N N 6 110.693 110.693 110.018 0.674 19679 19 1 . 1 1 6 6 GLY CA C 6 44.595 44.595 45.483 -0.888 19679 20 1 . 1 1 6 6 GLY H H 6 8.242 8.242 7.655 0.587 19679 21 1 . 1 1 7 7 PRO HA H 7 4.394 4.394 4.521 -0.126 19679 22 1 . 1 1 7 7 PRO CA C 7 63.033 63.033 62.778 0.255 19679 23 1 . 1 1 7 7 PRO CB C 7 32.142 32.142 31.336 0.806 19679 24 1 . 1 1 8 8 ASN N N 8 119.743 119.743 117.451 2.291 19679 25 1 . 1 1 8 8 ASN HA H 8 4.659 4.659 4.527 0.132 19679 26 1 . 1 1 8 8 ASN CA C 8 53.219 53.219 51.739 1.480 19679 27 1 . 1 1 8 8 ASN CB C 8 38.892 38.892 39.354 -0.462 19679 28 1 . 1 1 8 8 ASN H H 8 8.332 8.332 7.881 0.451 19679 29 1 . 1 1 9 9 PRO HA H 9 4.575 4.575 4.425 0.150 19679 30 1 . 1 1 9 9 PRO CA C 9 62.377 62.377 63.105 -0.728 19679 31 1 . 1 1 9 9 PRO CB C 9 32.045 32.045 31.518 0.527 19679 32 1 . 1 1 10 10 LEU N N 10 120.411 120.411 124.796 -4.385 19679 33 1 . 1 1 10 10 LEU HA H 10 4.219 4.219 4.182 0.037 19679 34 1 . 1 1 10 10 LEU CA C 10 55.284 55.284 55.067 0.217 19679 35 1 . 1 1 10 10 LEU CB C 10 42.046 42.046 41.298 0.748 19679 36 1 . 1 1 10 10 LEU H H 10 8.160 8.160 8.218 -0.058 19679 37 1 . 1 1 11 11 HIS N N 11 118.056 118.056 118.659 -0.603 19679 38 1 . 1 1 11 11 HIS HA H 11 4.678 4.678 4.392 0.286 19679 39 1 . 1 1 11 11 HIS CA C 11 54.968 54.968 56.619 -1.651 19679 40 1 . 1 1 11 11 HIS H H 11 8.288 8.288 8.064 0.224 19679 41 1 . 1 1 13 13 LYS N N 13 105.346 105.346 116.579 -11.233 19679 42 1 . 1 1 13 13 LYS HA H 13 4.264 4.264 4.040 0.224 19679 43 1 . 1 1 13 13 LYS CA C 13 56.223 56.223 57.142 -0.919 19679 44 1 . 1 1 13 13 LYS CB C 13 32.468 32.468 32.143 0.325 19679 45 1 . 1 1 13 13 LYS H H 13 8.305 8.305 8.156 0.149 19679 stop_ save_