data_nef_c19368_4bxu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 4bxu stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 12 GLY start . false 2 A 13 ALA middle . . 3 A 14 MET middle . . 4 A 15 ALA middle . . 5 A 16 THR middle . . 6 A 17 PRO middle . false 7 A 18 GLY middle . false 8 A 19 SER middle . . 9 A 20 GLU middle . . 10 A 21 ASN middle . . 11 A 22 VAL middle . . 12 A 23 LEU middle . . 13 A 24 PRO middle . false 14 A 25 ARG middle . . 15 A 26 GLU middle . . 16 A 27 PRO middle . false 17 A 28 LEU middle . . 18 A 29 ILE middle . . 19 A 30 ALA middle . . 20 A 31 THR middle . . 21 A 32 ALA middle . . 22 A 33 VAL middle . . 23 A 34 LYS middle . . 24 A 35 PHE middle . . 25 A 36 LEU middle . . 26 A 37 GLN middle . . 27 A 38 ASN middle . . 28 A 39 SER middle . . 29 A 40 ARG middle . . 30 A 41 VAL middle . . 31 A 42 ARG middle . . 32 A 43 GLN middle . . 33 A 44 SER middle . . 34 A 45 PRO middle . false 35 A 46 LEU middle . . 36 A 47 ALA middle . . 37 A 48 THR middle . . 38 A 49 ARG middle . . 39 A 50 ARG middle . . 40 A 51 ALA middle . . 41 A 52 PHE middle . . 42 A 53 LEU middle . . 43 A 54 LYS middle . . 44 A 55 LYS middle . . 45 A 56 LYS middle . . 46 A 57 GLY middle . false 47 A 58 LEU middle . . 48 A 59 THR middle . . 49 A 60 ASP middle . . 50 A 61 GLU middle . . 51 A 62 GLU middle . . 52 A 63 ILE middle . . 53 A 64 ASP middle . . 54 A 65 MET middle . . 55 A 66 ALA middle . . 56 A 67 PHE middle . . 57 A 68 GLN middle . . 58 A 69 GLN middle . . 59 A 70 SER middle . . 60 A 71 GLY middle . false 61 A 72 THR middle . . 62 A 73 ALA middle . . 63 A 74 ALA middle . . 64 A 75 ASP middle . . 65 A 76 GLU middle . . 66 A 77 PRO middle . false 67 A 78 SER middle . . 68 A 79 SER middle . . 69 A 80 LEU end . . 70 B 57 ALA start . . 71 B 58 SER middle . . 72 B 59 GLU middle . . 73 B 60 ASP middle . . 74 B 61 GLU middle . . 75 B 62 LEU middle . . 76 B 63 VAL middle . . 77 B 64 ALA middle . . 78 B 65 GLU middle . . 79 B 66 PHE middle . . 80 B 67 LEU middle . . 81 B 68 GLN middle . . 82 B 69 ASP middle . . 83 B 70 GLN middle . . 84 B 71 ASN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 12 GLY HAx H 1 3.854 . A 12 GLY HAy H 1 3.854 . A 12 GLY CA C 13 43.341 . A 13 ALA HA H 1 4.364 . A 13 ALA CA C 13 52.542 . A 13 ALA CB C 13 19.414 . A 14 MET H H 1 8.472 . A 14 MET HA H 1 4.475 . A 14 MET HBx H 1 2.019 . A 14 MET HBy H 1 2.088 . A 14 MET HGx H 1 2.580 . A 14 MET HGy H 1 2.621 . A 14 MET CA C 13 55.324 . A 14 MET CB C 13 33.110 . A 14 MET CG C 13 31.963 . A 14 MET N N 15 120.012 . A 15 ALA H H 1 8.407 . A 15 ALA CA C 13 52.376 . A 15 ALA CB C 13 19.359 . A 15 ALA N N 15 125.985 . A 16 THR H H 1 8.265 . A 16 THR HA H 1 4.593 . A 16 THR HB H 1 4.170 . A 16 THR HG2% H 1 1.256 . A 16 THR CA C 13 59.744 . A 16 THR CB C 13 69.724 . A 16 THR CG2 C 13 21.482 . A 16 THR N N 15 116.264 . A 17 PRO HA H 1 4.441 . A 17 PRO HBx H 1 1.967 . A 17 PRO HBy H 1 2.350 . A 17 PRO HDx H 1 3.733 . A 17 PRO HDy H 1 3.886 . A 17 PRO HGx H 1 2.112 . A 17 PRO HGy H 1 2.112 . A 17 PRO CA C 13 63.765 . A 17 PRO CB C 13 32.036 . A 17 PRO CD C 13 51.089 . A 17 PRO CG C 13 27.472 . A 18 GLY H H 1 8.665 . A 18 GLY HAx H 1 3.993 . A 18 GLY HAy H 1 4.068 . A 18 GLY CA C 13 45.385 . A 18 GLY N N 15 110.651 . A 19 SER H H 1 8.188 . A 19 SER HA H 1 4.468 . A 19 SER HBx H 1 3.921 . A 19 SER HBy H 1 3.921 . A 19 SER CA C 13 58.654 . A 19 SER CB C 13 63.951 . A 19 SER N N 15 115.627 . A 20 GLU H H 1 8.707 . A 20 GLU HA H 1 4.308 . A 20 GLU HBx H 1 1.950 . A 20 GLU HBy H 1 2.068 . A 20 GLU HGx H 1 2.272 . A 20 GLU HGy H 1 2.272 . A 20 GLU CA C 13 56.860 . A 20 GLU CB C 13 30.060 . A 20 GLU CG C 13 36.183 . A 20 GLU N N 15 122.373 . A 21 ASN H H 1 8.412 . A 21 ASN HA H 1 4.733 . A 21 ASN HBx H 1 2.724 . A 21 ASN HBy H 1 2.819 . A 21 ASN CA C 13 53.299 . A 21 ASN CB C 13 39.038 . A 21 ASN N N 15 119.635 . A 22 VAL H H 1 8.121 . A 22 VAL HA H 1 4.139 . A 22 VAL HB H 1 2.071 . A 22 VAL HGx% H 1 0.924 . A 22 VAL HGy% H 1 0.926 . A 22 VAL CA C 13 62.095 . A 22 VAL CB C 13 32.722 . A 22 VAL CGy C 13 21.160 . A 22 VAL CGx C 13 20.681 . A 22 VAL N N 15 120.913 . A 23 LEU H H 1 8.288 . A 23 LEU HA H 1 4.656 . A 23 LEU HBx H 1 1.570 . A 23 LEU HBy H 1 1.638 . A 23 LEU HDx% H 1 0.976 . A 23 LEU HDy% H 1 0.937 . A 23 LEU HG H 1 1.728 . A 23 LEU CA C 13 53.165 . A 23 LEU CB C 13 41.475 . A 23 LEU CDy C 13 25.221 . A 23 LEU CDx C 13 23.205 . A 23 LEU CG C 13 27.169 . A 23 LEU N N 15 127.553 . A 24 PRO HA H 1 4.480 . A 24 PRO HBx H 1 1.854 . A 24 PRO HBy H 1 2.211 . A 24 PRO HDx H 1 3.639 . A 24 PRO HDy H 1 3.957 . A 24 PRO HGx H 1 1.954 . A 24 PRO HGy H 1 2.065 . A 24 PRO CA C 13 63.229 . A 24 PRO CB C 13 32.676 . A 24 PRO CD C 13 50.756 . A 24 PRO CG C 13 27.626 . A 25 ARG H H 1 9.596 . A 25 ARG HA H 1 4.408 . A 25 ARG HBx H 1 1.857 . A 25 ARG HBy H 1 2.056 . A 25 ARG HDx H 1 3.087 . A 25 ARG HDy H 1 3.311 . A 25 ARG HGx H 1 1.811 . A 25 ARG HGy H 1 1.878 . A 25 ARG CA C 13 55.216 . A 25 ARG CB C 13 29.578 . A 25 ARG CD C 13 42.784 . A 25 ARG CG C 13 25.494 . A 25 ARG N N 15 124.446 . A 26 GLU H H 1 8.833 . A 26 GLU HA H 1 4.095 . A 26 GLU HBx H 1 2.142 . A 26 GLU HBy H 1 2.142 . A 26 GLU HGx H 1 2.321 . A 26 GLU HGy H 1 2.416 . A 26 GLU CA C 13 61.326 . A 26 GLU CB C 13 27.149 . A 26 GLU CG C 13 36.553 . A 26 GLU N N 15 125.404 . A 27 PRO HA H 1 4.423 . A 27 PRO HBx H 1 1.851 . A 27 PRO HBy H 1 2.406 . A 27 PRO HDx H 1 3.576 . A 27 PRO HDy H 1 3.886 . A 27 PRO HGx H 1 2.016 . A 27 PRO HGy H 1 2.102 . A 27 PRO CA C 13 65.908 . A 27 PRO CB C 13 31.268 . A 27 PRO CD C 13 50.811 . A 27 PRO CG C 13 28.477 . A 28 LEU H H 1 6.898 . A 28 LEU HA H 1 4.220 . A 28 LEU HBx H 1 1.643 . A 28 LEU HBy H 1 1.705 . A 28 LEU HDx% H 1 0.847 . A 28 LEU HDy% H 1 0.892 . A 28 LEU HG H 1 1.549 . A 28 LEU CA C 13 57.211 . A 28 LEU CB C 13 41.860 . A 28 LEU CDy C 13 24.105 . A 28 LEU CDx C 13 23.487 . A 28 LEU CG C 13 27.279 . A 28 LEU N N 15 117.729 . A 29 ILE H H 1 7.862 . A 29 ILE HA H 1 3.393 . A 29 ILE HB H 1 1.888 . A 29 ILE HD1% H 1 0.920 . A 29 ILE HG1x H 1 1.079 . A 29 ILE HG1y H 1 1.651 . A 29 ILE HG2% H 1 0.794 . A 29 ILE CA C 13 65.722 . A 29 ILE CB C 13 38.278 . A 29 ILE CD1 C 13 14.927 . A 29 ILE CG1 C 13 28.836 . A 29 ILE CG2 C 13 17.043 . A 29 ILE N N 15 120.087 . A 30 ALA H H 1 8.205 . A 30 ALA HA H 1 4.057 . A 30 ALA HB% H 1 1.500 . A 30 ALA CA C 13 55.593 . A 30 ALA CB C 13 17.922 . A 30 ALA N N 15 120.362 . A 31 THR H H 1 7.747 . A 31 THR HA H 1 3.957 . A 31 THR HB H 1 4.202 . A 31 THR HG2% H 1 1.244 . A 31 THR CA C 13 66.682 . A 31 THR CB C 13 68.773 . A 31 THR CG2 C 13 22.211 . A 31 THR N N 15 115.052 . A 32 ALA H H 1 8.224 . A 32 ALA HA H 1 3.942 . A 32 ALA HB% H 1 1.396 . A 32 ALA CA C 13 55.396 . A 32 ALA CB C 13 18.954 . A 32 ALA N N 15 124.841 . A 33 VAL H H 1 8.802 . A 33 VAL HA H 1 3.318 . A 33 VAL HB H 1 2.225 . A 33 VAL HGx% H 1 0.699 . A 33 VAL HGy% H 1 1.189 . A 33 VAL CA C 13 67.656 . A 33 VAL CB C 13 31.639 . A 33 VAL CGx C 13 21.033 . A 33 VAL CGy C 13 24.836 . A 33 VAL N N 15 119.071 . A 34 LYS H H 1 7.046 . A 34 LYS HBx H 1 1.965 . A 34 LYS HBy H 1 1.965 . A 34 LYS HEx H 1 3.008 . A 34 LYS HEy H 1 3.008 . A 34 LYS HGx H 1 1.663 . A 34 LYS HGy H 1 1.663 . A 34 LYS CA C 13 59.225 . A 34 LYS CB C 13 32.011 . A 34 LYS CE C 13 42.125 . A 34 LYS CG C 13 25.378 . A 34 LYS N N 15 116.567 . A 35 PHE H H 1 8.095 . A 35 PHE HA H 1 4.029 . A 35 PHE HBx H 1 3.126 . A 35 PHE HBy H 1 3.430 . A 35 PHE CA C 13 61.207 . A 35 PHE CB C 13 39.177 . A 35 PHE N N 15 121.302 . A 36 LEU H H 1 8.290 . A 36 LEU HA H 1 3.442 . A 36 LEU HBx H 1 1.237 . A 36 LEU HBy H 1 1.812 . A 36 LEU HDx% H 1 0.166 . A 36 LEU HDy% H 1 0.580 . A 36 LEU HG H 1 2.012 . A 36 LEU CA C 13 56.141 . A 36 LEU CB C 13 41.406 . A 36 LEU CDy C 13 25.373 . A 36 LEU CDx C 13 22.217 . A 36 LEU CG C 13 26.744 . A 36 LEU N N 15 116.851 . A 37 GLN H H 1 7.393 . A 37 GLN HA H 1 4.020 . A 37 GLN HBx H 1 2.110 . A 37 GLN HBy H 1 2.110 . A 37 GLN HGx H 1 2.269 . A 37 GLN HGy H 1 2.765 . A 37 GLN CA C 13 56.007 . A 37 GLN CB C 13 29.170 . A 37 GLN CG C 13 34.916 . A 37 GLN N N 15 113.001 . A 38 ASN H H 1 7.352 . A 38 ASN HA H 1 4.380 . A 38 ASN HBx H 1 2.664 . A 38 ASN HBy H 1 2.784 . A 38 ASN CA C 13 55.131 . A 38 ASN CB C 13 40.024 . A 38 ASN N N 15 121.897 . A 39 SER H H 1 9.049 . A 39 SER HA H 1 3.907 . A 39 SER CA C 13 62.898 . A 39 SER N N 15 122.227 . A 40 ARG H H 1 7.978 . A 40 ARG HA H 1 4.228 . A 40 ARG HBx H 1 1.934 . A 40 ARG HBy H 1 1.934 . A 40 ARG HDx H 1 3.170 . A 40 ARG HDy H 1 3.248 . A 40 ARG HGx H 1 1.653 . A 40 ARG HGy H 1 1.778 . A 40 ARG CA C 13 58.376 . A 40 ARG CB C 13 30.025 . A 40 ARG CD C 13 43.065 . A 40 ARG CG C 13 27.607 . A 40 ARG N N 15 120.158 . A 41 VAL H H 1 8.042 . A 41 VAL HA H 1 3.410 . A 41 VAL HB H 1 1.969 . A 41 VAL HGx% H 1 -0.242 . A 41 VAL HGy% H 1 0.473 . A 41 VAL CA C 13 66.318 . A 41 VAL CB C 13 31.567 . A 41 VAL CGx C 13 20.632 . A 41 VAL CGy C 13 23.112 . A 41 VAL N N 15 123.580 . A 42 ARG H H 1 7.879 . A 42 ARG HA H 1 3.847 . A 42 ARG HBx H 1 1.739 . A 42 ARG HBy H 1 2.003 . A 42 ARG HDx H 1 3.001 . A 42 ARG HDy H 1 3.119 . A 42 ARG HGx H 1 1.634 . A 42 ARG HGy H 1 1.812 . A 42 ARG CA C 13 58.702 . A 42 ARG CB C 13 30.598 . A 42 ARG CD C 13 44.320 . A 42 ARG CG C 13 27.866 . A 42 ARG N N 15 116.237 . A 43 GLN H H 1 7.197 . A 43 GLN HA H 1 4.322 . A 43 GLN HBx H 1 2.309 . A 43 GLN HBy H 1 2.309 . A 43 GLN HGx H 1 2.424 . A 43 GLN HGy H 1 2.622 . A 43 GLN CA C 13 56.009 . A 43 GLN CB C 13 28.861 . A 43 GLN CG C 13 34.177 . A 43 GLN N N 15 114.805 . A 44 SER H H 1 7.812 . A 44 SER HA H 1 4.900 . A 44 SER HBx H 1 4.094 . A 44 SER HBy H 1 4.125 . A 44 SER CA C 13 57.953 . A 44 SER CB C 13 63.529 . A 44 SER N N 15 116.974 . A 45 PRO HA H 1 4.556 . A 45 PRO HBx H 1 2.608 . A 45 PRO HBy H 1 2.608 . A 45 PRO HDx H 1 4.115 . A 45 PRO HDy H 1 4.115 . A 45 PRO CA C 13 63.614 . A 45 PRO CB C 13 32.203 . A 45 PRO CD C 13 50.870 . A 45 PRO CG C 13 28.081 . A 46 LEU H H 1 9.242 . A 46 LEU HA H 1 3.903 . A 46 LEU HBx H 1 1.679 . A 46 LEU HBy H 1 1.679 . A 46 LEU HDx% H 1 0.741 . A 46 LEU HDy% H 1 0.741 . A 46 LEU HG H 1 1.566 . A 46 LEU CA C 13 59.419 . A 46 LEU CB C 13 42.250 . A 46 LEU CDx C 13 24.998 . A 46 LEU CDy C 13 24.998 . A 46 LEU CG C 13 27.238 . A 46 LEU N N 15 129.342 . A 47 ALA H H 1 9.232 . A 47 ALA HB% H 1 1.519 . A 47 ALA CA C 13 55.444 . A 47 ALA CB C 13 18.400 . A 47 ALA N N 15 118.489 . A 48 THR H H 1 7.449 . A 48 THR HA H 1 4.306 . A 48 THR HB H 1 4.509 . A 48 THR HG2% H 1 1.501 . A 48 THR CA C 13 65.746 . A 48 THR CB C 13 68.802 . A 48 THR CG2 C 13 22.683 . A 48 THR N N 15 113.690 . A 49 ARG H H 1 7.862 . A 49 ARG HA H 1 4.051 . A 49 ARG HBx H 1 1.717 . A 49 ARG HBy H 1 2.435 . A 49 ARG HDx H 1 2.764 . A 49 ARG HDy H 1 3.249 . A 49 ARG HGx H 1 1.348 . A 49 ARG HGy H 1 1.348 . A 49 ARG CA C 13 60.908 . A 49 ARG CB C 13 32.685 . A 49 ARG CD C 13 44.384 . A 49 ARG CG C 13 28.577 . A 49 ARG N N 15 123.102 . A 50 ARG H H 1 8.460 . A 50 ARG HA H 1 3.969 . A 50 ARG HBx H 1 1.977 . A 50 ARG HBy H 1 1.977 . A 50 ARG HDx H 1 3.098 . A 50 ARG HDy H 1 3.241 . A 50 ARG HGx H 1 1.544 . A 50 ARG HGy H 1 1.733 . A 50 ARG CA C 13 60.887 . A 50 ARG CB C 13 30.581 . A 50 ARG CD C 13 42.774 . A 50 ARG CG C 13 28.953 . A 50 ARG N N 15 116.847 . A 51 ALA H H 1 8.209 . A 51 ALA HA H 1 4.152 . A 51 ALA HB% H 1 1.651 . A 51 ALA CA C 13 55.198 . A 51 ALA CB C 13 18.244 . A 51 ALA N N 15 119.201 . A 52 PHE H H 1 8.098 . A 52 PHE HA H 1 4.460 . A 52 PHE HBx H 1 3.152 . A 52 PHE HBy H 1 3.763 . A 52 PHE CA C 13 61.527 . A 52 PHE CB C 13 39.962 . A 52 PHE N N 15 119.265 . A 53 LEU H H 1 7.555 . A 53 LEU HA H 1 3.683 . A 53 LEU HBx H 1 1.272 . A 53 LEU HBy H 1 2.017 . A 53 LEU HDx% H 1 0.572 . A 53 LEU HDy% H 1 0.572 . A 53 LEU HG H 1 1.318 . A 53 LEU CA C 13 57.655 . A 53 LEU CB C 13 41.293 . A 53 LEU CDx C 13 20.950 . A 53 LEU CDy C 13 20.950 . A 53 LEU CG C 13 26.653 . A 53 LEU N N 15 117.210 . A 54 LYS H H 1 8.204 . A 54 LYS HA H 1 4.303 . A 54 LYS HBx H 1 1.823 . A 54 LYS HBy H 1 1.911 . A 54 LYS HDx H 1 1.657 . A 54 LYS HDy H 1 1.784 . A 54 LYS HEx H 1 2.964 . A 54 LYS HEy H 1 2.964 . A 54 LYS HGx H 1 1.427 . A 54 LYS HGy H 1 1.551 . A 54 LYS CA C 13 58.656 . A 54 LYS CB C 13 31.254 . A 54 LYS CD C 13 28.233 . A 54 LYS CE C 13 41.662 . A 54 LYS CG C 13 24.164 . A 54 LYS N N 15 120.021 . A 55 LYS H H 1 8.018 . A 55 LYS HA H 1 4.028 . A 55 LYS HDx H 1 1.685 . A 55 LYS HDy H 1 1.753 . A 55 LYS HEx H 1 2.979 . A 55 LYS HEy H 1 2.979 . A 55 LYS HGx H 1 1.351 . A 55 LYS HGy H 1 1.535 . A 55 LYS CA C 13 59.275 . A 55 LYS CB C 13 31.694 . A 55 LYS CD C 13 29.817 . A 55 LYS CE C 13 42.076 . A 55 LYS CG C 13 25.141 . A 55 LYS N N 15 123.731 . A 56 LYS H H 1 7.383 . A 56 LYS HA H 1 4.059 . A 56 LYS HBx H 1 1.544 . A 56 LYS HBy H 1 1.766 . A 56 LYS HDx H 1 1.199 . A 56 LYS HDy H 1 1.305 . A 56 LYS HEx H 1 2.359 . A 56 LYS HEy H 1 2.681 . A 56 LYS HGx H 1 0.513 . A 56 LYS HGy H 1 0.733 . A 56 LYS CA C 13 53.852 . A 56 LYS CB C 13 29.293 . A 56 LYS CD C 13 26.050 . A 56 LYS CE C 13 41.453 . A 56 LYS CG C 13 22.369 . A 56 LYS N N 15 115.496 . A 57 GLY H H 1 7.651 . A 57 GLY HAx H 1 3.667 . A 57 GLY HAy H 1 4.285 . A 57 GLY CA C 13 45.335 . A 57 GLY N N 15 105.555 . A 58 LEU H H 1 7.618 . A 58 LEU HA H 1 4.438 . A 58 LEU HBx H 1 1.187 . A 58 LEU HBy H 1 1.853 . A 58 LEU HDx% H 1 0.647 . A 58 LEU HDy% H 1 0.755 . A 58 LEU HG H 1 1.650 . A 58 LEU CA C 13 57.479 . A 58 LEU CB C 13 42.304 . A 58 LEU CDy C 13 26.263 . A 58 LEU CDx C 13 24.297 . A 58 LEU CG C 13 31.401 . A 58 LEU N N 15 122.950 . A 59 THR H H 1 9.207 . A 59 THR HA H 1 4.340 . A 59 THR HB H 1 4.733 . A 59 THR HG2% H 1 1.274 . A 59 THR CA C 13 60.292 . A 59 THR CB C 13 70.884 . A 59 THR CG2 C 13 21.670 . A 59 THR N N 15 112.790 . A 60 ASP H H 1 8.911 . A 60 ASP HA H 1 4.239 . A 60 ASP HBx H 1 2.520 . A 60 ASP CA C 13 58.772 . A 60 ASP CB C 13 40.224 . A 60 ASP N N 15 120.317 . A 61 GLU H H 1 8.430 . A 61 GLU HA H 1 4.111 . A 61 GLU HBx H 1 1.893 . A 61 GLU HBy H 1 2.059 . A 61 GLU HGx H 1 2.309 . A 61 GLU HGy H 1 2.309 . A 61 GLU CA C 13 59.942 . A 61 GLU CB C 13 29.644 . A 61 GLU CG C 13 36.672 . A 61 GLU N N 15 118.753 . A 62 GLU H H 1 7.833 . A 62 GLU HA H 1 3.845 . A 62 GLU HBx H 1 1.661 . A 62 GLU HBy H 1 2.513 . A 62 GLU HGx H 1 2.176 . A 62 GLU HGy H 1 2.462 . A 62 GLU CA C 13 59.256 . A 62 GLU CB C 13 29.923 . A 62 GLU CG C 13 37.744 . A 62 GLU N N 15 119.943 . A 63 ILE H H 1 8.585 . A 63 ILE HA H 1 3.322 . A 63 ILE HB H 1 1.905 . A 63 ILE HD1% H 1 0.708 . A 63 ILE HG1x H 1 0.569 . A 63 ILE HG1y H 1 1.933 . A 63 ILE HG2% H 1 0.875 . A 63 ILE CA C 13 66.400 . A 63 ILE CB C 13 38.373 . A 63 ILE CD1 C 13 14.407 . A 63 ILE CG1 C 13 30.922 . A 63 ILE CG2 C 13 18.506 . A 63 ILE N N 15 119.973 . A 64 ASP H H 1 8.550 . A 64 ASP HA H 1 4.450 . A 64 ASP HBx H 1 2.698 . A 64 ASP HBy H 1 2.847 . A 64 ASP CA C 13 58.199 . A 64 ASP CB C 13 39.901 . A 64 ASP N N 15 120.819 . A 65 MET H H 1 8.139 . A 65 MET HA H 1 4.153 . A 65 MET HBx H 1 2.856 . A 65 MET HBy H 1 2.856 . A 65 MET CA C 13 59.418 . A 65 MET CB C 13 32.828 . A 65 MET N N 15 120.055 . A 66 ALA H H 1 8.599 . A 66 ALA HA H 1 3.938 . A 66 ALA HB% H 1 1.318 . A 66 ALA CA C 13 54.549 . A 66 ALA CB C 13 17.990 . A 66 ALA N N 15 122.648 . A 67 PHE H H 1 9.210 . A 67 PHE HA H 1 3.976 . A 67 PHE HBx H 1 3.051 . A 67 PHE HBy H 1 3.333 . A 67 PHE CA C 13 62.497 . A 67 PHE CB C 13 38.231 . A 67 PHE N N 15 119.756 . A 68 GLN H H 1 8.348 . A 68 GLN HA H 1 4.115 . A 68 GLN HBx H 1 2.299 . A 68 GLN HBy H 1 2.299 . A 68 GLN HGx H 1 2.462 . A 68 GLN HGy H 1 2.554 . A 68 GLN CA C 13 59.544 . A 68 GLN CB C 13 28.391 . A 68 GLN CG C 13 33.639 . A 68 GLN N N 15 120.555 . A 69 GLN H H 1 8.701 . A 69 GLN HA H 1 4.120 . A 69 GLN HBx H 1 2.132 . A 69 GLN HBy H 1 2.132 . A 69 GLN HGx H 1 2.401 . A 69 GLN HGy H 1 2.639 . A 69 GLN CA C 13 58.284 . A 69 GLN CB C 13 29.278 . A 69 GLN CG C 13 34.595 . A 69 GLN N N 15 117.927 . A 70 SER H H 1 8.106 . A 70 SER HA H 1 4.301 . A 70 SER HBx H 1 3.906 . A 70 SER HBy H 1 4.152 . A 70 SER CA C 13 59.549 . A 70 SER CB C 13 64.818 . A 70 SER N N 15 110.847 . A 71 GLY H H 1 7.683 . A 71 GLY HAx H 1 4.106 . A 71 GLY HAy H 1 4.127 . A 71 GLY CA C 13 46.562 . A 71 GLY N N 15 110.584 . A 72 THR H H 1 7.927 . A 72 THR HA H 1 4.375 . A 72 THR HB H 1 4.262 . A 72 THR HG2% H 1 0.965 . A 72 THR CA C 13 62.276 . A 72 THR CB C 13 69.800 . A 72 THR CG2 C 13 21.080 . A 72 THR N N 15 111.244 . A 73 ALA H H 1 8.308 . A 73 ALA HA H 1 4.230 . A 73 ALA HB% H 1 1.359 . A 73 ALA CA C 13 53.124 . A 73 ALA CB C 13 19.242 . A 73 ALA N N 15 126.006 . A 74 ALA H H 1 8.095 . A 74 ALA CA C 13 52.221 . A 74 ALA CB C 13 19.253 . A 74 ALA N N 15 121.326 . A 75 ASP H H 1 8.039 . A 75 ASP HA H 1 4.576 . A 75 ASP HBx H 1 2.622 . A 75 ASP HBy H 1 2.708 . A 75 ASP CA C 13 54.403 . A 75 ASP CB C 13 41.273 . A 75 ASP N N 15 119.168 . A 76 GLU H H 1 8.168 . A 76 GLU HA H 1 4.639 . A 76 GLU HBx H 1 1.914 . A 76 GLU HBy H 1 2.061 . A 76 GLU HGx H 1 2.294 . A 76 GLU HGy H 1 2.294 . A 76 GLU CA C 13 54.238 . A 76 GLU CB C 13 30.063 . A 76 GLU CG C 13 35.931 . A 76 GLU N N 15 121.765 . A 77 PRO HA H 1 4.424 . A 77 PRO HBx H 1 1.944 . A 77 PRO HBy H 1 2.313 . A 77 PRO HDx H 1 3.796 . A 77 PRO HDy H 1 3.796 . A 77 PRO HGx H 1 2.028 . A 77 PRO HGy H 1 2.028 . A 77 PRO CA C 13 63.474 . A 77 PRO CB C 13 32.103 . A 77 PRO CD C 13 50.722 . A 77 PRO CG C 13 27.380 . A 78 SER H H 1 8.331 . A 78 SER HA H 1 4.274 . A 78 SER HBx H 1 3.740 . A 78 SER HBy H 1 3.740 . A 78 SER CA C 13 58.468 . A 78 SER CB C 13 63.797 . A 78 SER N N 15 115.526 . A 79 SER H H 1 8.234 . A 79 SER HA H 1 4.403 . A 79 SER HBx H 1 3.799 . A 79 SER HBy H 1 3.799 . A 79 SER CA C 13 58.375 . A 79 SER CB C 13 63.780 . A 79 SER N N 15 117.616 . A 80 LEU H H 1 8.031 . A 80 LEU HA H 1 4.267 . A 80 LEU HBx H 1 1.389 . A 80 LEU HBy H 1 1.389 . A 80 LEU HDx% H 1 0.846 . A 80 LEU HDy% H 1 0.781 . A 80 LEU HG H 1 1.487 . A 80 LEU CA C 13 55.325 . A 80 LEU CB C 13 42.355 . A 80 LEU CDy C 13 25.003 . A 80 LEU CDx C 13 23.203 . A 80 LEU CG C 13 26.849 . A 80 LEU N N 15 123.677 . B 57 ALA H H 1 8.663 . B 57 ALA HA H 1 4.447 . B 57 ALA HB% H 1 1.419 . B 58 SER H H 1 8.573 . B 58 SER HA H 1 4.475 . B 58 SER HBx H 1 3.983 . B 58 SER HBy H 1 4.158 . B 59 GLU H H 1 9.755 . B 59 GLU HA H 1 4.106 . B 60 ASP H H 1 8.168 . B 60 ASP HA H 1 4.445 . B 61 GLU H H 1 7.994 . B 61 GLU HA H 1 4.149 . B 62 LEU H H 1 8.063 . B 62 LEU HA H 1 4.296 . B 62 LEU HBx H 1 1.749 . B 62 LEU HBy H 1 2.018 . B 62 LEU HG H 1 1.304 . B 63 VAL H H 1 8.375 . B 63 VAL HA H 1 3.556 . B 63 VAL HB H 1 2.236 . B 63 VAL HGx% H 1 0.922 . B 63 VAL HGy% H 1 1.249 . B 64 ALA H H 1 7.886 . B 64 ALA HA H 1 4.053 . B 64 ALA HB% H 1 1.502 . B 65 GLU H H 1 7.981 . B 65 GLU HA H 1 4.026 . B 66 PHE H H 1 8.347 . B 66 PHE HA H 1 3.595 . B 67 LEU H H 1 8.287 . B 67 LEU HA H 1 3.883 . B 67 LEU HBx H 1 1.816 . B 67 LEU HBy H 1 2.029 . B 67 LEU HDx% H 1 0.745 . B 67 LEU HDy% H 1 0.819 . B 67 LEU HG H 1 1.453 . B 68 GLN H H 1 7.597 . B 68 GLN HA H 1 4.118 . B 68 GLN HE21 H 1 6.861 . B 68 GLN HE22 H 1 7.535 . B 69 ASP H H 1 7.745 . B 69 ASP HA H 1 4.623 . B 70 GLN H H 1 7.681 . B 70 GLN HA H 1 4.270 . B 70 GLN HE21 H 1 6.510 . B 70 GLN HE22 H 1 7.015 . B 70 GLN HGx H 1 2.077 . B 70 GLN HGy H 1 2.151 . B 71 ASN H H 1 7.830 . B 71 ASN HA H 1 4.452 . B 71 ASN HBx H 1 2.638 . B 71 ASN HBy H 1 2.758 . B 71 ASN HD21 H 1 6.788 . B 71 ASN HD22 H 1 7.470 . stop_ save_ save_assigned_chem_shift_list_1_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 12 GLY CA C 13 43.341 . A 13 ALA HA H 1 4.364 . A 13 ALA CA C 13 52.542 . A 13 ALA CB C 13 19.414 . A 14 MET H H 1 8.472 . A 14 MET HA H 1 4.475 . A 14 MET HBx H 1 2.019 . A 14 MET HBy H 1 2.088 . A 14 MET HGx H 1 2.580 . A 14 MET HGy H 1 2.621 . A 14 MET CA C 13 55.324 . A 14 MET CB C 13 33.110 . A 14 MET CG C 13 31.963 . A 14 MET N N 15 120.012 . A 15 ALA H H 1 8.407 . A 15 ALA CA C 13 52.376 . A 15 ALA CB C 13 19.359 . A 15 ALA N N 15 125.985 . A 16 THR H H 1 8.265 . A 16 THR HA H 1 4.593 . A 16 THR HB H 1 4.170 . A 16 THR HG2% H 1 1.256 . A 16 THR CA C 13 59.744 . A 16 THR CB C 13 69.724 . A 16 THR N N 15 116.264 . A 17 PRO HA H 1 4.441 . A 17 PRO HBx H 1 1.967 . A 17 PRO HBy H 1 2.350 . A 17 PRO HDx H 1 3.733 . A 17 PRO HDy H 1 3.886 . A 17 PRO CA C 13 63.765 . A 17 PRO CB C 13 32.036 . A 17 PRO CD C 13 51.089 . A 17 PRO CG C 13 27.472 . A 18 GLY H H 1 8.665 . A 18 GLY HAx H 1 3.993 . A 18 GLY HAy H 1 4.068 . A 18 GLY CA C 13 45.385 . A 18 GLY N N 15 110.651 . A 19 SER H H 1 8.188 . A 19 SER HA H 1 4.468 . A 19 SER CA C 13 58.654 . A 19 SER CB C 13 63.951 . A 19 SER N N 15 115.627 . A 20 GLU H H 1 8.707 . A 20 GLU HA H 1 4.308 . A 20 GLU HBx H 1 1.950 . A 20 GLU HBy H 1 2.068 . A 20 GLU CA C 13 56.860 . A 20 GLU CB C 13 30.060 . A 20 GLU CG C 13 36.183 . A 20 GLU N N 15 122.373 . A 21 ASN H H 1 8.412 . A 21 ASN HA H 1 4.733 . A 21 ASN HBx H 1 2.724 . A 21 ASN HBy H 1 2.819 . A 21 ASN CA C 13 53.299 . A 21 ASN CB C 13 39.038 . A 21 ASN N N 15 119.635 . A 22 VAL H H 1 8.121 . A 22 VAL HA H 1 4.139 . A 22 VAL HB H 1 2.071 . A 22 VAL HGx% H 1 0.924 . A 22 VAL HGy% H 1 0.926 . A 22 VAL CA C 13 62.095 . A 22 VAL CB C 13 32.722 . A 22 VAL CGy C 13 21.160 . A 22 VAL CGx C 13 20.681 . A 22 VAL N N 15 120.913 . A 23 LEU H H 1 8.288 . A 23 LEU HA H 1 4.656 . A 23 LEU HBx H 1 1.570 . A 23 LEU HBy H 1 1.638 . A 23 LEU HDx% H 1 0.976 . A 23 LEU HDy% H 1 0.937 . A 23 LEU HG H 1 1.728 . A 23 LEU CA C 13 53.165 . A 23 LEU CB C 13 41.475 . A 23 LEU CDy C 13 25.221 . A 23 LEU CDx C 13 23.205 . A 23 LEU CG C 13 27.169 . A 23 LEU N N 15 127.553 . A 24 PRO HA H 1 4.480 . A 24 PRO HBx H 1 1.854 . A 24 PRO HBy H 1 2.211 . A 24 PRO HDx H 1 3.639 . A 24 PRO HDy H 1 3.957 . A 24 PRO HGx H 1 1.954 . A 24 PRO HGy H 1 2.065 . A 24 PRO CA C 13 63.229 . A 24 PRO CB C 13 32.676 . A 24 PRO CD C 13 50.756 . A 24 PRO CG C 13 27.626 . A 25 ARG H H 1 9.596 . A 25 ARG HA H 1 4.408 . A 25 ARG HBx H 1 1.857 . A 25 ARG HBy H 1 2.056 . A 25 ARG HDx H 1 3.087 . A 25 ARG HDy H 1 3.311 . A 25 ARG HGx H 1 1.811 . A 25 ARG HGy H 1 1.878 . A 25 ARG CA C 13 55.216 . A 25 ARG CB C 13 29.578 . A 25 ARG CD C 13 42.784 . A 25 ARG CG C 13 25.494 . A 25 ARG N N 15 124.446 . A 26 GLU H H 1 8.833 . A 26 GLU HA H 1 4.095 . A 26 GLU HGx H 1 2.321 . A 26 GLU HGy H 1 2.416 . A 26 GLU CA C 13 61.326 . A 26 GLU CB C 13 27.149 . A 26 GLU CG C 13 36.553 . A 26 GLU N N 15 125.404 . A 27 PRO HA H 1 4.423 . A 27 PRO HBx H 1 1.851 . A 27 PRO HBy H 1 2.406 . A 27 PRO HDx H 1 3.576 . A 27 PRO HDy H 1 3.886 . A 27 PRO HGx H 1 2.016 . A 27 PRO HGy H 1 2.102 . A 27 PRO CA C 13 65.908 . A 27 PRO CB C 13 31.268 . A 27 PRO CD C 13 50.811 . A 27 PRO CG C 13 28.477 . A 28 LEU H H 1 6.898 . A 28 LEU HA H 1 4.220 . A 28 LEU HBx H 1 1.643 . A 28 LEU HBy H 1 1.705 . A 28 LEU HDx% H 1 0.847 . A 28 LEU HDy% H 1 0.892 . A 28 LEU HG H 1 1.549 . A 28 LEU CA C 13 57.211 . A 28 LEU CB C 13 41.860 . A 28 LEU CDy C 13 24.105 . A 28 LEU CDx C 13 23.487 . A 28 LEU CG C 13 27.279 . A 28 LEU N N 15 117.729 . A 29 ILE H H 1 7.862 . A 29 ILE HA H 1 3.393 . A 29 ILE HB H 1 1.888 . A 29 ILE HD1% H 1 0.920 . A 29 ILE HG1x H 1 1.079 . A 29 ILE HG1y H 1 1.651 . A 29 ILE HG2% H 1 0.794 . A 29 ILE CA C 13 65.722 . A 29 ILE CB C 13 38.278 . A 29 ILE CD1 C 13 14.927 . A 29 ILE CG1 C 13 28.836 . A 29 ILE CG2 C 13 17.043 . A 29 ILE N N 15 120.087 . A 30 ALA H H 1 8.205 . A 30 ALA HA H 1 4.057 . A 30 ALA HB% H 1 1.500 . A 30 ALA CA C 13 55.593 . A 30 ALA CB C 13 17.922 . A 30 ALA N N 15 120.362 . A 31 THR H H 1 7.747 . A 31 THR HA H 1 3.957 . A 31 THR HB H 1 4.202 . A 31 THR HG2% H 1 1.244 . A 31 THR CA C 13 66.682 . A 31 THR CB C 13 68.773 . A 31 THR N N 15 115.052 . A 32 ALA H H 1 8.224 . A 32 ALA HA H 1 3.942 . A 32 ALA HB% H 1 1.396 . A 32 ALA CA C 13 55.396 . A 32 ALA CB C 13 18.954 . A 32 ALA N N 15 124.841 . A 33 VAL H H 1 8.802 . A 33 VAL HA H 1 3.318 . A 33 VAL HB H 1 2.225 . A 33 VAL HGx% H 1 0.699 . A 33 VAL HGy% H 1 1.189 . A 33 VAL CA C 13 67.656 . A 33 VAL CB C 13 31.639 . A 33 VAL CGx C 13 21.033 . A 33 VAL CGy C 13 24.836 . A 33 VAL N N 15 119.071 . A 34 LYS H H 1 7.046 . A 34 LYS CA C 13 59.225 . A 34 LYS CB C 13 32.011 . A 34 LYS CE C 13 42.125 . A 34 LYS CG C 13 25.378 . A 34 LYS N N 15 116.567 . A 35 PHE H H 1 8.095 . A 35 PHE HA H 1 4.029 . A 35 PHE HBx H 1 3.126 . A 35 PHE HBy H 1 3.430 . A 35 PHE CA C 13 61.207 . A 35 PHE CB C 13 39.177 . A 35 PHE N N 15 121.302 . A 36 LEU H H 1 8.290 . A 36 LEU HA H 1 3.442 . A 36 LEU HBx H 1 1.237 . A 36 LEU HBy H 1 1.812 . A 36 LEU HDx% H 1 0.166 . A 36 LEU HDy% H 1 0.580 . A 36 LEU HG H 1 2.012 . A 36 LEU CA C 13 56.141 . A 36 LEU CB C 13 41.406 . A 36 LEU CDy C 13 25.373 . A 36 LEU CDx C 13 22.217 . A 36 LEU CG C 13 26.744 . A 36 LEU N N 15 116.851 . A 37 GLN H H 1 7.393 . A 37 GLN HA H 1 4.020 . A 37 GLN HGx H 1 2.269 . A 37 GLN HGy H 1 2.765 . A 37 GLN CA C 13 56.007 . A 37 GLN CB C 13 29.170 . A 37 GLN CG C 13 34.916 . A 37 GLN N N 15 113.001 . A 38 ASN H H 1 7.352 . A 38 ASN HA H 1 4.380 . A 38 ASN HBx H 1 2.664 . A 38 ASN HBy H 1 2.784 . A 38 ASN CA C 13 55.131 . A 38 ASN CB C 13 40.024 . A 38 ASN N N 15 121.897 . A 39 SER H H 1 9.049 . A 39 SER HA H 1 3.907 . A 39 SER CA C 13 62.898 . A 39 SER N N 15 122.227 . A 40 ARG H H 1 7.978 . A 40 ARG HA H 1 4.228 . A 40 ARG HDx H 1 3.170 . A 40 ARG HDy H 1 3.248 . A 40 ARG HGx H 1 1.653 . A 40 ARG HGy H 1 1.778 . A 40 ARG CA C 13 58.376 . A 40 ARG CB C 13 30.025 . A 40 ARG CD C 13 43.065 . A 40 ARG CG C 13 27.607 . A 40 ARG N N 15 120.158 . A 41 VAL H H 1 8.042 . A 41 VAL HA H 1 3.410 . A 41 VAL HB H 1 1.969 . A 41 VAL HGx% H 1 -0.242 . A 41 VAL HGy% H 1 0.473 . A 41 VAL CA C 13 66.318 . A 41 VAL CB C 13 31.567 . A 41 VAL CGx C 13 20.632 . A 41 VAL CGy C 13 23.112 . A 41 VAL N N 15 123.580 . A 42 ARG H H 1 7.879 . A 42 ARG HA H 1 3.847 . A 42 ARG HBx H 1 1.739 . A 42 ARG HBy H 1 2.003 . A 42 ARG HDx H 1 3.001 . A 42 ARG HDy H 1 3.119 . A 42 ARG HGx H 1 1.634 . A 42 ARG HGy H 1 1.812 . A 42 ARG CA C 13 58.702 . A 42 ARG CB C 13 30.598 . A 42 ARG CD C 13 44.320 . A 42 ARG CG C 13 27.866 . A 42 ARG N N 15 116.237 . A 43 GLN H H 1 7.197 . A 43 GLN HA H 1 4.322 . A 43 GLN HGx H 1 2.424 . A 43 GLN HGy H 1 2.622 . A 43 GLN CA C 13 56.009 . A 43 GLN CB C 13 28.861 . A 43 GLN CG C 13 34.177 . A 43 GLN N N 15 114.805 . A 44 SER H H 1 7.812 . A 44 SER HA H 1 4.900 . A 44 SER HBx H 1 4.094 . A 44 SER HBy H 1 4.125 . A 44 SER CA C 13 57.953 . A 44 SER CB C 13 63.529 . A 44 SER N N 15 116.974 . A 45 PRO HA H 1 4.556 . A 45 PRO CA C 13 63.614 . A 45 PRO CB C 13 32.203 . A 45 PRO CD C 13 50.870 . A 45 PRO CG C 13 28.081 . A 46 LEU H H 1 9.242 . A 46 LEU HA H 1 3.903 . A 46 LEU HG H 1 1.566 . A 46 LEU CA C 13 59.419 . A 46 LEU CB C 13 42.250 . A 46 LEU CG C 13 27.238 . A 46 LEU N N 15 129.342 . A 47 ALA H H 1 9.232 . A 47 ALA HB% H 1 1.519 . A 47 ALA CA C 13 55.444 . A 47 ALA CB C 13 18.400 . A 47 ALA N N 15 118.489 . A 48 THR H H 1 7.449 . A 48 THR HA H 1 4.306 . A 48 THR HB H 1 4.509 . A 48 THR HG2% H 1 1.501 . A 48 THR CA C 13 65.746 . A 48 THR CB C 13 68.802 . A 48 THR N N 15 113.690 . A 49 ARG H H 1 7.862 . A 49 ARG HA H 1 4.051 . A 49 ARG HBx H 1 1.717 . A 49 ARG HBy H 1 2.435 . A 49 ARG HDx H 1 2.764 . A 49 ARG HDy H 1 3.249 . A 49 ARG CA C 13 60.908 . A 49 ARG CB C 13 32.685 . A 49 ARG CD C 13 44.384 . A 49 ARG CG C 13 28.577 . A 49 ARG N N 15 123.102 . A 50 ARG H H 1 8.460 . A 50 ARG HA H 1 3.969 . A 50 ARG HDx H 1 3.098 . A 50 ARG HDy H 1 3.241 . A 50 ARG HGx H 1 1.544 . A 50 ARG HGy H 1 1.733 . A 50 ARG CA C 13 60.887 . A 50 ARG CB C 13 30.581 . A 50 ARG CD C 13 42.774 . A 50 ARG CG C 13 28.953 . A 50 ARG N N 15 116.847 . A 51 ALA H H 1 8.209 . A 51 ALA HA H 1 4.152 . A 51 ALA HB% H 1 1.651 . A 51 ALA CA C 13 55.198 . A 51 ALA CB C 13 18.244 . A 51 ALA N N 15 119.201 . A 52 PHE H H 1 8.098 . A 52 PHE HA H 1 4.460 . A 52 PHE HBx H 1 3.152 . A 52 PHE HBy H 1 3.763 . A 52 PHE CA C 13 61.527 . A 52 PHE CB C 13 39.962 . A 52 PHE N N 15 119.265 . A 53 LEU H H 1 7.555 . A 53 LEU HA H 1 3.683 . A 53 LEU HBx H 1 1.272 . A 53 LEU HBy H 1 2.017 . A 53 LEU HG H 1 1.318 . A 53 LEU CA C 13 57.655 . A 53 LEU CB C 13 41.293 . A 53 LEU CG C 13 26.653 . A 53 LEU N N 15 117.210 . A 54 LYS H H 1 8.204 . A 54 LYS HA H 1 4.303 . A 54 LYS HBx H 1 1.823 . A 54 LYS HBy H 1 1.911 . A 54 LYS HDx H 1 1.657 . A 54 LYS HDy H 1 1.784 . A 54 LYS HGx H 1 1.427 . A 54 LYS HGy H 1 1.551 . A 54 LYS CA C 13 58.656 . A 54 LYS CB C 13 31.254 . A 54 LYS CD C 13 28.233 . A 54 LYS CE C 13 41.662 . A 54 LYS CG C 13 24.164 . A 54 LYS N N 15 120.021 . A 55 LYS H H 1 8.018 . A 55 LYS HA H 1 4.028 . A 55 LYS HDx H 1 1.685 . A 55 LYS HDy H 1 1.753 . A 55 LYS HGx H 1 1.351 . A 55 LYS HGy H 1 1.535 . A 55 LYS CA C 13 59.275 . A 55 LYS CB C 13 31.694 . A 55 LYS CD C 13 29.817 . A 55 LYS CE C 13 42.076 . A 55 LYS CG C 13 25.141 . A 55 LYS N N 15 123.731 . A 56 LYS H H 1 7.383 . A 56 LYS HA H 1 4.059 . A 56 LYS HBx H 1 1.544 . A 56 LYS HBy H 1 1.766 . A 56 LYS HDx H 1 1.199 . A 56 LYS HDy H 1 1.305 . A 56 LYS HEx H 1 2.359 . A 56 LYS HEy H 1 2.681 . A 56 LYS HGx H 1 0.513 . A 56 LYS HGy H 1 0.733 . A 56 LYS CA C 13 53.852 . A 56 LYS CB C 13 29.293 . A 56 LYS CD C 13 26.050 . A 56 LYS CE C 13 41.453 . A 56 LYS CG C 13 22.369 . A 56 LYS N N 15 115.496 . A 57 GLY HAx H 1 3.667 . A 57 GLY HAy H 1 4.285 . A 57 GLY CA C 13 45.335 . A 57 GLY N N 15 105.555 . A 58 LEU HDx% H 1 0.647 . A 58 LEU HDy% H 1 0.755 . A 58 LEU HG H 1 1.650 . A 58 LEU CA C 13 57.479 . A 58 LEU CB C 13 42.304 . A 58 LEU CDy C 13 26.263 . A 58 LEU CDx C 13 24.297 . A 58 LEU CG C 13 31.401 . A 58 LEU N N 15 122.950 . A 59 THR HB H 1 4.733 . A 59 THR HG2% H 1 1.274 . A 59 THR CA C 13 60.292 . A 59 THR CB C 13 70.884 . A 59 THR N N 15 112.790 . A 60 ASP HB2 H 1 2.520 . A 60 ASP CA C 13 58.772 . A 60 ASP CB C 13 40.224 . A 60 ASP N N 15 120.317 . A 61 GLU HBx H 1 1.893 . A 61 GLU HBy H 1 2.059 . A 61 GLU CA C 13 59.942 . A 61 GLU CB C 13 29.644 . A 61 GLU CG C 13 36.672 . A 61 GLU N N 15 118.753 . A 62 GLU HGx H 1 2.176 . A 62 GLU HGy H 1 2.462 . A 62 GLU CA C 13 59.256 . A 62 GLU CB C 13 29.923 . A 62 GLU CG C 13 37.744 . A 62 GLU N N 15 119.943 . A 63 ILE HD1% H 1 0.708 . A 63 ILE HG1x H 1 0.569 . A 63 ILE HG1y H 1 1.933 . A 63 ILE CA C 13 66.400 . A 63 ILE CB C 13 38.373 . A 63 ILE CD1 C 13 14.407 . A 63 ILE CG1 C 13 30.922 . A 63 ILE CG2 C 13 18.506 . A 63 ILE N N 15 119.973 . A 64 ASP HBx H 1 2.698 . A 64 ASP HBy H 1 2.847 . A 64 ASP CA C 13 58.199 . A 64 ASP CB C 13 39.901 . A 64 ASP N N 15 120.819 . A 65 MET CA C 13 59.418 . A 65 MET CB C 13 32.828 . A 65 MET N N 15 120.055 . A 66 ALA HB% H 1 1.318 . A 66 ALA CA C 13 54.549 . A 66 ALA CB C 13 17.990 . A 66 ALA N N 15 122.648 . A 67 PHE CA C 13 62.497 . A 67 PHE CB C 13 38.231 . A 67 PHE N N 15 119.756 . A 68 GLN HGx H 1 2.462 . A 68 GLN HGy H 1 2.554 . A 68 GLN CA C 13 59.544 . A 68 GLN CB C 13 28.391 . A 68 GLN CG C 13 33.639 . A 68 GLN N N 15 120.555 . A 69 GLN HGx H 1 2.401 . A 69 GLN HGy H 1 2.639 . A 69 GLN CA C 13 58.284 . A 69 GLN CB C 13 29.278 . A 69 GLN CG C 13 34.595 . A 69 GLN N N 15 117.927 . A 70 SER HBx H 1 3.906 . A 70 SER HBy H 1 4.152 . A 70 SER CA C 13 59.549 . A 70 SER CB C 13 64.818 . A 70 SER N N 15 110.847 . A 71 GLY HAx H 1 4.106 . A 71 GLY HAy H 1 4.127 . A 71 GLY CA C 13 46.562 . A 71 GLY N N 15 110.584 . A 72 THR H H 1 7.927 . A 72 THR HA H 1 4.375 . A 72 THR HB H 1 4.262 . A 72 THR HG2% H 1 0.965 . A 72 THR CA C 13 62.276 . A 72 THR CB C 13 69.800 . A 72 THR N N 15 111.244 . A 73 ALA H H 1 8.308 . A 73 ALA HA H 1 4.230 . A 73 ALA HB% H 1 1.359 . A 73 ALA CA C 13 53.124 . A 73 ALA CB C 13 19.242 . A 73 ALA N N 15 126.006 . A 74 ALA H H 1 8.095 . A 74 ALA CA C 13 52.221 . A 74 ALA CB C 13 19.253 . A 74 ALA N N 15 121.326 . A 75 ASP H H 1 8.039 . A 75 ASP HA H 1 4.576 . A 75 ASP HBx H 1 2.622 . A 75 ASP HBy H 1 2.708 . A 75 ASP CA C 13 54.403 . A 75 ASP CB C 13 41.273 . A 75 ASP N N 15 119.168 . A 76 GLU H H 1 8.168 . A 76 GLU HA H 1 4.639 . A 76 GLU HBx H 1 1.914 . A 76 GLU HBy H 1 2.061 . A 76 GLU CA C 13 54.238 . A 76 GLU CB C 13 30.063 . A 76 GLU CG C 13 35.931 . A 76 GLU N N 15 121.765 . A 77 PRO HA H 1 4.424 . A 77 PRO HBx H 1 1.944 . A 77 PRO HBy H 1 2.313 . A 77 PRO CA C 13 63.474 . A 77 PRO CB C 13 32.103 . A 77 PRO CD C 13 50.722 . A 77 PRO CG C 13 27.380 . A 78 SER H H 1 8.331 . A 78 SER HA H 1 4.274 . A 78 SER CA C 13 58.468 . A 78 SER CB C 13 63.797 . A 78 SER N N 15 115.526 . A 79 SER H H 1 8.234 . A 79 SER HA H 1 4.403 . A 79 SER CA C 13 58.375 . A 79 SER CB C 13 63.780 . A 79 SER N N 15 117.616 . A 80 LEU H H 1 8.031 . A 80 LEU HA H 1 4.267 . A 80 LEU HDx% H 1 0.846 . A 80 LEU HDy% H 1 0.781 . A 80 LEU HG H 1 1.487 . A 80 LEU CA C 13 55.325 . A 80 LEU CB C 13 42.355 . A 80 LEU CDy C 13 25.003 . A 80 LEU CDx C 13 23.203 . A 80 LEU CG C 13 26.849 . A 80 LEU N N 15 123.677 . B 57 ALA H H 1 7.651 . B 58 SER H H 1 7.618 . B 58 SER HA H 1 4.438 . B 58 SER HBx H 1 1.187 . B 58 SER HBy H 1 1.853 . B 59 GLU H H 1 9.207 . B 59 GLU HA H 1 4.340 . B 60 ASP H H 1 8.911 . B 60 ASP HA H 1 4.239 . B 61 GLU H H 1 8.430 . B 61 GLU HA H 1 4.111 . B 62 LEU H H 1 7.833 . B 62 LEU HA H 1 3.845 . B 62 LEU HBx H 1 1.661 . B 62 LEU HBy H 1 2.513 . B 63 VAL H H 1 8.585 . B 63 VAL HA H 1 3.322 . B 63 VAL HB H 1 1.905 . B 63 VAL HG2% H 1 0.875 . B 64 ALA H H 1 8.550 . B 64 ALA HA H 1 4.450 . B 65 GLU H H 1 8.139 . B 65 GLU HA H 1 4.153 . B 66 PHE H H 1 8.599 . B 66 PHE HA H 1 3.938 . B 67 LEU H H 1 9.210 . B 67 LEU HA H 1 3.976 . B 67 LEU HBx H 1 3.051 . B 67 LEU HBy H 1 3.333 . B 68 GLN H H 1 8.348 . B 68 GLN HA H 1 4.115 . B 69 ASP H H 1 8.701 . B 69 ASP HA H 1 4.120 . B 70 GLN H H 1 8.106 . B 70 GLN HA H 1 4.301 . B 71 ASN H H 1 7.683 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 62 LEU HD11 B 59 GLU HA 1.0 0.0 4.23 2 2 B 59 GLU H B 60 ASP H 1.0 0.0 4.46 3 3 B 67 LEU H B 68 GLN H 1.0 0.0 4.10 4 4 B 66 PHE HE% B 66 PHE HD% 1.0 0.0 2.70 5 5 B 70 GLN HE22 B 70 GLN HE21 1.0 0.0 2.61 6 6 B 66 PHE HD% B 66 PHE H 1.0 0.0 4.65 7 7 B 66 PHE HD% B 67 LEU H 1.0 0.0 4.47 8 8 B 69 ASP H B 69 ASP HA 1.0 0.0 3.85 9 9 B 69 ASP HA B 70 GLN H 1.0 0.0 4.06 10 10 B 59 GLU H B 58 SER HA 1.0 0.0 3.73 11 11 B 58 SER HA B 58 SER H 1.0 0.0 3.43 12 12 B 60 ASP H B 60 ASP HA 1.0 0.0 3.84 13 13 B 60 ASP HA B 61 GLU H 1.0 0.0 4.13 14 14 B 71 ASN H B 71 ASN HA 1.0 0.0 4.11 15 15 B 62 LEU HA B 62 LEU H 1.0 0.0 4.07 16 16 B 71 ASN H B 70 GLN HA 1.0 0.0 4.09 17 17 B 70 GLN H B 70 GLN HA 1.0 0.0 3.92 18 18 B 59 GLU HA B 59 GLU H 1.0 0.0 3.91 19 19 B 58 SER H B 58 SER HBy 1.0 0.0 4.51 20 20 B 59 GLU HA B 60 ASP H 1.0 0.0 4.07 21 21 B 62 LEU H B 61 GLU HA 1.0 0.0 4.05 22 22 B 61 GLU H B 61 GLU HA 1.0 0.0 3.67 23 23 B 69 ASP H B 68 GLN HA 1.0 0.0 3.84 24 24 B 68 GLN H B 68 GLN HA 1.0 0.0 3.68 25 25 B 66 PHE H B 65 GLU HA 1.0 0.0 4.63 26 26 B 67 LEU H B 64 ALA HA 1.0 0.0 4.29 27 27 B 64 ALA HA B 64 ALA H 1.0 0.0 3.86 28 28 B 58 SER H B 58 SER HBx 1.0 0.0 4.37 29 29 B 67 LEU H B 67 LEU HA 1.0 0.0 3.98 30 30 B 70 GLN H B 67 LEU HA 1.0 0.0 4.88 31 31 B 68 GLN H B 67 LEU HA 1.0 0.0 4.41 32 32 B 66 PHE HD% B 67 LEU HA 1.0 0.0 4.39 33 33 B 66 PHE HA B 67 LEU H 1.0 0.0 4.22 34 34 B 66 PHE HBy B 66 PHE H 1.0 0.0 3.92 35 35 B 66 PHE HBy B 67 LEU H 1.0 0.0 4.22 36 36 B 66 PHE HD% B 66 PHE HBy 1.0 0.0 3.55 37 37 B 60 ASP H B 60 ASP HBx 1.0 0.0 3.75 38 37 B 60 ASP H B 60 ASP HBy 1.0 0.0 3.75 39 38 B 61 GLU H B 60 ASP HBx 1.0 0.0 4.30 40 38 B 61 GLU H B 60 ASP HBy 1.0 0.0 4.30 41 39 B 69 ASP H B 69 ASP HBx 1.0 0.0 3.44 42 39 B 69 ASP H B 69 ASP HBy 1.0 0.0 3.44 43 40 B 70 GLN H B 69 ASP HBx 1.0 0.0 4.37 44 40 B 70 GLN H B 69 ASP HBy 1.0 0.0 4.37 45 41 B 69 ASP H B 68 GLN HGx 1.0 0.0 4.82 46 41 B 69 ASP H B 68 GLN HGy 1.0 0.0 4.82 47 42 B 68 GLN H B 68 GLN HGx 1.0 0.0 4.05 48 42 B 68 GLN H B 68 GLN HGy 1.0 0.0 4.05 49 43 B 68 GLN HE22 B 68 GLN HGx 1.0 0.0 4.62 50 43 B 68 GLN HGy B 68 GLN HE22 1.0 0.0 4.62 51 44 B 59 GLU H B 59 GLU HGx 1.0 0.0 4.16 52 44 B 59 GLU HGy B 59 GLU H 1.0 0.0 4.16 53 45 B 67 LEU H B 66 PHE HBx 1.0 0.0 4.11 54 46 B 63 VAL HB B 64 ALA H 1.0 0.0 4.08 55 47 B 68 GLN H B 68 GLN HBx 1.0 0.0 3.44 56 47 B 68 GLN H B 68 GLN HBy 1.0 0.0 3.44 57 48 B 66 PHE HD% B 66 PHE HBx 1.0 0.0 3.63 58 49 B 69 ASP H B 68 GLN HBx 1.0 0.0 3.91 59 49 B 69 ASP H B 68 GLN HBy 1.0 0.0 3.91 60 50 B 70 GLN HE22 B 70 GLN HGy 1.0 0.0 4.07 61 51 B 59 GLU H B 59 GLU HBx 1.0 0.0 4.56 62 51 B 59 GLU HBy B 59 GLU H 1.0 0.0 4.56 63 52 B 62 LEU HBy B 63 VAL H 1.0 0.0 4.37 64 53 B 67 LEU H B 67 LEU HBy 1.0 0.0 3.56 65 54 B 62 LEU HBy B 62 LEU H 1.0 0.0 3.99 66 55 B 66 PHE HD% B 67 LEU HBy 1.0 0.0 3.70 67 56 B 67 LEU HBx B 67 LEU H 1.0 0.0 3.84 68 57 B 70 GLN H B 70 GLN HBx 1.0 0.0 3.86 69 57 B 70 GLN H B 70 GLN HBy 1.0 0.0 3.86 70 58 B 67 LEU HBx B 68 GLN H 1.0 0.0 4.58 71 59 B 62 LEU HBx B 62 LEU H 1.0 0.0 3.83 72 60 B 64 ALA HB% B 65 GLU H 1.0 0.0 3.86 73 61 B 64 ALA H B 64 ALA HB% 1.0 0.0 3.34 74 62 B 67 LEU H B 67 LEU HG 1.0 0.0 4.07 75 63 B 68 GLN H B 67 LEU HG 1.0 0.0 4.77 76 64 B 58 SER H B 57 ALA HB% 1.0 0.0 4.37 77 65 B 63 VAL H B 63 VAL HG2% 1.0 0.0 3.76 78 65 B 63 VAL HGx% B 63 VAL H 1.0 0.0 3.76 79 66 B 62 LEU HG B 62 LEU H 1.0 0.0 4.46 80 67 B 64 ALA H B 63 VAL HG2% 1.0 0.0 4.85 81 67 B 63 VAL HGx% B 64 ALA H 1.0 0.0 4.85 82 68 B 63 VAL H B 63 VAL HG2% 1.0 0.0 4.75 83 68 B 63 VAL HGx% B 63 VAL H 1.0 0.0 4.75 84 69 B 64 ALA H B 63 VAL HG2% 1.0 0.0 4.50 85 69 B 63 VAL HGx% B 64 ALA H 1.0 0.0 4.50 86 70 B 66 PHE HE% B 67 LEU HDx% 1.0 0.0 3.89 87 71 B 66 PHE HD% B 67 LEU HDx% 1.0 0.0 3.41 88 72 B 62 LEU HD11 B 62 LEU H 1.0 0.0 4.23 89 72 B 62 LEU H B 62 LEU HD21 1.0 0.0 4.23 90 73 B 62 LEU HD11 B 61 GLU H 1.0 0.0 5.09 91 73 B 61 GLU H B 62 LEU HD21 1.0 0.0 5.09 92 74 B 71 ASN H B 71 ASN HBx 1.0 0.0 4.16 93 75 B 64 ALA HA B 64 ALA HB% 1.0 0.0 3.92 94 76 B 66 PHE HD% B 66 PHE HA 1.0 0.0 3.78 95 77 B 66 PHE HD% B 66 PHE HBy 1.0 0.0 3.62 96 78 B 66 PHE HD% B 66 PHE HBx 1.0 0.0 3.66 97 79 B 66 PHE HD% B 67 LEU HBy 1.0 0.0 3.98 98 80 B 66 PHE HD% B 67 LEU HDx% 1.0 0.0 3.52 99 81 B 67 LEU HDx% B 67 LEU HG 1.0 0.0 3.70 100 82 B 67 LEU HDy% B 67 LEU HG 1.0 0.0 3.44 101 83 B 62 LEU HBy B 62 LEU HD11 1.0 0.0 3.70 102 83 B 62 LEU HBy B 62 LEU HD21 1.0 0.0 3.70 103 84 B 67 LEU HDx% B 67 LEU HBy 1.0 0.0 3.24 104 85 B 63 VAL HB B 63 VAL HG2% 1.0 0.0 3.20 105 85 B 63 VAL HGx% B 63 VAL HB 1.0 0.0 3.20 106 86 B 63 VAL HA B 63 VAL HG2% 1.0 0.0 3.44 107 86 B 63 VAL HGx% B 63 VAL HA 1.0 0.0 3.44 108 87 B 66 PHE HD% B 67 LEU H 1.0 0.0 4.21 109 88 B 65 GLU HA B 65 GLU HBx 1.0 0.0 4.32 110 88 B 65 GLU HBy B 65 GLU HA 1.0 0.0 4.32 111 89 B 62 LEU HA B 65 GLU H 1.0 0.0 4.33 112 90 B 63 VAL HA B 63 VAL HB 1.0 0.0 4.15 113 91 B 67 LEU HDx% B 67 LEU HA 1.0 0.0 3.95 114 92 B 63 VAL HA B 63 VAL HG2% 1.0 0.0 3.67 115 92 B 63 VAL HGx% B 63 VAL HA 1.0 0.0 3.67 116 93 B 62 LEU HD11 B 63 VAL H 1.0 0.0 5.14 117 93 B 63 VAL H B 62 LEU HD21 1.0 0.0 5.14 118 94 B 65 GLU HA B 65 GLU H 1.0 0.0 3.67 119 95 B 59 GLU H B 59 GLU HBx 1.0 0.0 4.67 120 95 B 59 GLU HBy B 59 GLU H 1.0 0.0 4.67 121 96 B 59 GLU H B 59 GLU HGx 1.0 0.0 4.44 122 96 B 59 GLU HGy B 59 GLU H 1.0 0.0 4.44 123 97 B 67 LEU HBx B 67 LEU HDx% 1.0 0.0 3.91 124 98 B 67 LEU HBx B 67 LEU HDy% 1.0 0.0 3.54 125 99 B 66 PHE HE% B 67 LEU HDx% 1.0 0.0 3.95 126 100 B 63 VAL HA B 66 PHE HBy 1.0 0.0 4.45 127 101 B 66 PHE HBy B 66 PHE HA 1.0 0.0 4.36 128 102 B 63 VAL HA B 63 VAL HG2% 1.0 0.0 3.72 129 102 B 63 VAL HGx% B 63 VAL HA 1.0 0.0 3.72 130 103 B 64 ALA HB% B 63 VAL HG2% 1.0 0.0 4.13 131 103 B 63 VAL HGx% B 64 ALA HB% 1.0 0.0 4.13 132 104 B 60 ASP HA B 63 VAL HG2% 1.0 0.0 4.23 133 104 B 63 VAL HGx% B 60 ASP HA 1.0 0.0 4.23 134 105 B 67 LEU HA B 67 LEU HBy 1.0 0.0 4.23 135 106 B 62 LEU HG B 65 GLU H 1.0 0.0 5.24 136 106 B 62 LEU HG B 61 GLU H 1.0 0.0 5.24 137 107 B 62 LEU HBx B 65 GLU H 1.0 0.0 5.10 138 107 B 62 LEU HBx B 61 GLU H 1.0 0.0 5.10 139 108 B 67 LEU HA B 70 GLN HBx 1.0 0.0 3.82 140 108 B 67 LEU HA B 70 GLN HBy 1.0 0.0 3.82 141 109 B 60 ASP HA B 63 VAL HG2% 1.0 0.0 4.91 142 109 B 63 VAL HGx% B 60 ASP HA 1.0 0.0 4.91 143 110 B 62 LEU HBx B 62 LEU HA 1.0 0.0 4.23 144 111 B 62 LEU HA B 62 LEU HG 1.0 0.0 4.00 145 112 B 62 LEU HA B 62 LEU HD11 1.0 0.0 3.23 146 112 B 62 LEU HA B 62 LEU HD21 1.0 0.0 3.23 147 113 B 62 LEU HBy B 62 LEU HA 1.0 0.0 4.16 148 114 B 62 LEU HA B 65 GLU HBx 1.0 0.0 4.04 149 114 B 65 GLU HBy B 62 LEU HA 1.0 0.0 4.04 150 115 B 70 GLN HA B 70 GLN HBx 1.0 0.0 4.25 151 115 B 70 GLN HA B 70 GLN HBy 1.0 0.0 4.25 152 116 B 67 LEU HDy% B 67 LEU HA 1.0 0.0 4.31 153 117 B 67 LEU HDy% B 64 ALA HA 1.0 0.0 4.10 154 118 B 66 PHE HA B 66 PHE HBx 1.0 0.0 4.02 155 119 B 66 PHE HBy B 66 PHE HBx 1.0 0.0 3.37 156 120 B 65 GLU HA B 65 GLU HGx 1.0 0.0 3.81 157 120 B 65 GLU HGy B 65 GLU HA 1.0 0.0 3.81 158 121 B 64 ALA HB% B 63 VAL HG2% 1.0 0.0 4.19 159 121 B 63 VAL HGx% B 64 ALA HB% 1.0 0.0 4.19 160 122 B 63 VAL HB B 63 VAL HG2% 1.0 0.0 3.34 161 122 B 63 VAL HGx% B 63 VAL HB 1.0 0.0 3.34 162 123 B 66 PHE HD% B 66 PHE HA 1.0 0.0 3.47 163 124 B 66 PHE HBy B 66 PHE H 1.0 0.0 3.80 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 63 VAL H B 59 GLU O 1.0 1.8 2.0 2 2 B 59 GLU O B 63 VAL N 1.0 2.7 3.0 3 3 B 64 ALA H B 60 ASP O 1.0 1.8 2.0 4 4 B 60 ASP O B 64 ALA N 1.0 2.7 3.0 5 5 B 65 GLU H B 61 GLU O 1.0 1.8 2.0 6 6 B 61 GLU O B 65 GLU N 1.0 2.7 3.0 7 7 B 66 PHE H B 62 LEU O 1.0 1.8 2.0 8 8 B 62 LEU O B 66 PHE N 1.0 2.7 3.0 9 9 B 67 LEU H B 63 VAL O 1.0 1.8 2.0 10 10 B 63 VAL O B 67 LEU N 1.0 2.7 3.0 11 11 B 68 GLN H B 64 ALA O 1.0 1.8 2.0 12 12 B 64 ALA O B 68 GLN N 1.0 2.7 3.0 13 13 B 69 ASP H B 65 GLU O 1.0 1.8 2.0 14 14 B 65 GLU O B 69 ASP N 1.0 2.7 3.0 15 15 B 70 GLN H B 66 PHE O 1.0 1.8 2.0 16 16 B 66 PHE O B 70 GLN N 1.0 2.7 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 B 57 ALA C B 58 SER N B 58 SER CA B 58 SER C 1.0 -104.0 -44.0 PHI 2 2 B 58 SER C B 59 GLU N B 59 GLU CA B 59 GLU C 1.0 -82.0 -38.0 PHI 3 3 B 59 GLU C B 60 ASP N B 60 ASP CA B 60 ASP C 1.0 -86.0 -42.0 PHI 4 4 B 60 ASP C B 61 GLU N B 61 GLU CA B 61 GLU C 1.0 -76.0 -58.0 PHI 5 5 B 61 GLU C B 62 LEU N B 62 LEU CA B 62 LEU C 1.0 -81.0 -51.0 PHI 6 6 B 62 LEU C B 63 VAL N B 63 VAL CA B 63 VAL C 1.0 -71.0 -53.0 PHI 7 7 B 63 VAL C B 64 ALA N B 64 ALA CA B 64 ALA C 1.0 -80.0 -44.0 PHI 8 8 B 64 ALA C B 65 GLU N B 65 GLU CA B 65 GLU C 1.0 -74.0 -50.0 PHI 9 9 B 65 GLU C B 66 PHE N B 66 PHE CA B 66 PHE C 1.0 -71.0 -53.0 PHI 10 10 B 66 PHE C B 67 LEU N B 67 LEU CA B 67 LEU C 1.0 -73.0 -55.0 PHI 11 11 B 67 LEU C B 68 GLN N B 68 GLN CA B 68 GLN C 1.0 -84.0 -46.0 PHI 12 12 B 68 GLN C B 69 ASP N B 69 ASP CA B 69 ASP C 1.0 -95.0 -39.0 PHI 13 13 B 69 ASP C B 70 GLN N B 70 GLN CA B 70 GLN C 1.0 -123.0 -33.0 PHI 14 14 B 70 GLN C B 71 ASN N B 71 ASN CA B 71 ASN C 1.0 -136.0 -40.0 PHI 15 15 B 57 ALA N B 57 ALA CA B 57 ALA C B 58 SER N 1.0 83.0 191.0 PSI 16 16 B 58 SER N B 58 SER CA B 58 SER C B 59 GLU N 1.0 131.0 191.0 PSI 17 17 B 59 GLU N B 59 GLU CA B 59 GLU C B 60 ASP N 1.0 -71.0 -9.0 PSI 18 18 B 60 ASP N B 60 ASP CA B 60 ASP C B 61 GLU N 1.0 -57.0 -21.0 PSI 19 19 B 61 GLU N B 61 GLU CA B 61 GLU C B 62 LEU N 1.0 -55.0 -31.0 PSI 20 20 B 62 LEU N B 62 LEU CA B 62 LEU C B 63 VAL N 1.0 -65.0 -17.0 PSI 21 21 B 63 VAL N B 63 VAL CA B 63 VAL C B 64 ALA N 1.0 -58.0 -22.0 PSI 22 22 B 64 ALA N B 64 ALA CA B 64 ALA C B 65 GLU N 1.0 -56.0 -26.0 PSI 23 23 B 65 GLU N B 65 GLU CA B 65 GLU C B 66 PHE N 1.0 -63.0 -25.0 PSI 24 24 B 66 PHE N B 66 PHE CA B 66 PHE C B 67 LEU N 1.0 -72.0 -10.0 PSI 25 25 B 67 LEU N B 67 LEU CA B 67 LEU C B 68 GLN N 1.0 -54.0 -24.0 PSI 26 26 B 68 GLN N B 68 GLN CA B 68 GLN C B 69 ASP N 1.0 -56.0 -26.0 PSI 27 27 B 69 ASP N B 69 ASP CA B 69 ASP C B 70 GLN N 1.0 -61.0 5.0 PSI 28 28 B 70 GLN N B 70 GLN CA B 70 GLN C B 71 ASN N 1.0 -68.0 22.0 PSI stop_ save_