data_nef_c19568_2mfr 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 2MFR 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 1 MET start . . 2 A 2 THR middle . . 3 A 3 TYR middle . . 4 A 4 PHE middle . . 5 A 5 TYR middle . . 6 A 6 VAL middle . . 7 A 7 THR middle . . 8 A 8 ASP middle . . 9 A 9 TYR middle . . 10 A 10 LEU middle . . 11 A 11 ASP middle . . 12 A 12 VAL middle . . 13 A 13 PRO middle . false 14 A 14 SER middle . . 15 A 15 ASN middle . . 16 A 16 ILE middle . . 17 A 17 ALA middle . . 18 A 18 LYS middle . . 19 A 19 ILE middle . . 20 A 20 ILE middle . . 21 A 21 ILE middle . . 22 A 22 GLY middle . false 23 A 23 PRO middle . false 24 A 24 LEU middle . . 25 A 25 ILE middle . . 26 A 26 PHE middle . . 27 A 27 VAL middle . . 28 A 28 PHE middle . . 29 A 29 LEU middle . . 30 A 30 PHE middle . . 31 A 31 SER middle . . 32 A 32 VAL middle . . 33 A 33 VAL middle . . 34 A 34 ILE middle . . 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 ILE middle . . 38 A 38 TYR middle . . 39 A 39 LEU middle . . 40 A 40 PHE middle . . 41 A 41 LEU middle . . 42 A 42 ARG middle . . 43 A 43 LYS middle . . 44 A 44 ARG middle . . 45 A 45 GLN middle . . 46 A 46 PRO middle . false 47 A 47 ASP middle . . 48 A 48 GLY middle . false 49 A 49 PRO middle . false 50 A 50 LEU middle . . 51 A 51 GLU middle . . 52 A 52 HIS middle . . 53 A 53 HIS middle . . 54 A 54 HIS middle . . 55 A 55 HIS middle . . 56 A 56 HIS middle . . 57 A 57 HIS 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 1 MET HA H 1 4.403 0.05 A 1 MET C C 13 176.208 0.2 A 1 MET CA C 13 55.045 0.2 A 1 MET CB C 13 33.055 0.2 A 1 MET N N 15 128.215 0.1 A 2 THR H H 1 8.100 0.05 A 2 THR HA H 1 4.076 0.05 A 2 THR C C 13 174.729 0.2 A 2 THR CA C 13 63.234 0.2 A 2 THR CB C 13 69.247 0.2 A 2 THR N N 15 113.734 0.1 A 3 TYR H H 1 7.911 0.05 A 3 TYR HA H 1 4.239 0.05 A 3 TYR C C 13 175.468 0.2 A 3 TYR CA C 13 59.361 0.2 A 3 TYR CB C 13 38.536 0.2 A 3 TYR N N 15 119.785 0.1 A 4 PHE H H 1 7.634 0.05 A 4 PHE HA H 1 4.440 0.05 A 4 PHE C C 13 174.872 0.2 A 4 PHE CA C 13 58.593 0.2 A 4 PHE CB C 13 39.220 0.2 A 4 PHE N N 15 117.223 0.1 A 5 TYR H H 1 7.877 0.05 A 5 TYR HA H 1 4.539 0.05 A 5 TYR C C 13 176.539 0.2 A 5 TYR CA C 13 58.768 0.2 A 5 TYR CB C 13 38.267 0.2 A 5 TYR N N 15 118.715 0.1 A 6 VAL H H 1 7.930 0.05 A 6 VAL HA H 1 3.934 0.05 A 6 VAL C C 13 176.487 0.2 A 6 VAL CA C 13 64.462 0.2 A 6 VAL CB C 13 31.983 0.2 A 6 VAL N N 15 118.275 0.1 A 7 THR H H 1 7.814 0.05 A 7 THR HA H 1 4.212 0.05 A 7 THR C C 13 175.536 0.2 A 7 THR CA C 13 64.289 0.2 A 7 THR CB C 13 68.479 0.2 A 7 THR N N 15 111.175 0.1 A 8 ASP H H 1 8.006 0.05 A 8 ASP HA H 1 4.446 0.05 A 8 ASP CA C 13 56.017 0.2 A 8 ASP CB C 13 40.695 0.2 A 8 ASP N N 15 121.151 0.1 A 9 TYR H H 1 7.726 0.05 A 9 TYR HA H 1 4.341 0.05 A 9 TYR C C 13 176.025 0.2 A 9 TYR CA C 13 59.525 0.2 A 9 TYR CB C 13 39.333 0.2 A 9 TYR N N 15 117.806 0.1 A 10 LEU H H 1 7.514 0.05 A 10 LEU HA H 1 4.277 0.05 A 10 LEU C C 13 175.391 0.2 A 10 LEU CA C 13 54.693 0.2 A 10 LEU CB C 13 43.009 0.2 A 10 LEU N N 15 116.985 0.1 A 11 ASP H H 1 7.978 0.05 A 11 ASP HA H 1 4.516 0.05 A 11 ASP HBy H 1 2.429 0.05 A 11 ASP CA C 13 53.877 0.2 A 11 ASP CB C 13 40.610 0.2 A 11 ASP N N 15 120.049 0.1 A 12 VAL H H 1 7.780 0.05 A 12 VAL CA C 13 59.819 0.2 A 12 VAL N N 15 118.837 0.1 A 13 PRO HA H 1 4.080 0.05 A 13 PRO CA C 13 63.373 0.2 A 13 PRO CB C 13 31.965 0.2 A 14 SER H H 1 8.631 0.05 A 14 SER HA H 1 4.080 0.05 A 14 SER CA C 13 61.149 0.2 A 14 SER N N 15 117.102 0.1 A 15 ASN H H 1 8.500 0.05 A 15 ASN HA H 1 4.504 0.05 A 15 ASN C C 13 176.447 0.2 A 15 ASN CA C 13 55.409 0.2 A 15 ASN CB C 13 37.458 0.2 A 15 ASN N N 15 118.240 0.1 A 16 ILE H H 1 7.499 0.05 A 16 ILE HA H 1 3.985 0.05 A 16 ILE HB H 1 1.991 0.05 A 16 ILE C C 13 176.784 0.2 A 16 ILE CA C 13 62.338 0.2 A 16 ILE CB C 13 37.645 0.2 A 16 ILE N N 15 118.674 0.1 A 17 ALA H H 1 8.154 0.05 A 17 ALA HA H 1 3.906 0.05 A 17 ALA C C 13 178.295 0.2 A 17 ALA CA C 13 55.267 0.2 A 17 ALA CB C 13 18.538 0.2 A 17 ALA N N 15 123.146 0.1 A 18 LYS H H 1 7.867 0.05 A 18 LYS HA H 1 3.949 0.05 A 18 LYS C C 13 177.195 0.2 A 18 LYS CA C 13 59.407 0.2 A 18 LYS CB C 13 32.787 0.2 A 18 LYS N N 15 113.996 0.1 A 19 ILE H H 1 7.395 0.05 A 19 ILE HA H 1 4.050 0.05 A 19 ILE HB H 1 2.017 0.05 A 19 ILE C C 13 175.727 0.2 A 19 ILE CA C 13 62.912 0.2 A 19 ILE CB C 13 38.712 0.2 A 19 ILE N N 15 115.051 0.1 A 20 ILE H H 1 7.468 0.05 A 20 ILE CA C 13 62.423 0.2 A 20 ILE CB C 13 38.872 0.2 A 20 ILE N N 15 113.857 0.1 A 21 ILE HA H 1 3.863 0.05 A 21 ILE C C 13 176.210 0.2 A 21 ILE CA C 13 64.096 0.2 A 22 GLY H H 1 8.473 0.05 A 22 GLY CA C 13 48.239 0.2 A 22 GLY N N 15 106.975 0.1 A 23 PRO C C 13 177.086 0.2 A 23 PRO CA C 13 65.877 0.2 A 23 PRO CB C 13 32.062 0.2 A 24 LEU H H 1 7.855 0.05 A 24 LEU HA H 1 4.087 0.05 A 24 LEU C C 13 178.191 0.2 A 24 LEU CA C 13 58.482 0.2 A 24 LEU CB C 13 41.967 0.2 A 24 LEU N N 15 115.805 0.1 A 25 ILE H H 1 8.373 0.05 A 25 ILE HA H 1 3.723 0.05 A 25 ILE HB H 1 2.095 0.05 A 25 ILE C C 13 177.615 0.2 A 25 ILE CA C 13 65.390 0.2 A 25 ILE CB C 13 37.068 0.2 A 25 ILE N N 15 118.715 0.1 A 26 PHE H H 1 8.191 0.05 A 26 PHE HA H 1 3.982 0.05 A 26 PHE CA C 13 62.503 0.2 A 26 PHE CB C 13 39.069 0.2 A 26 PHE N N 15 118.782 0.1 A 27 VAL H H 1 8.530 0.05 A 27 VAL HA H 1 3.462 0.05 A 27 VAL HB H 1 2.241 0.05 A 27 VAL C C 13 178.431 0.2 A 27 VAL CA C 13 67.240 0.2 A 27 VAL CB C 13 31.106 0.2 A 27 VAL N N 15 118.263 0.1 A 28 PHE H H 1 8.572 0.05 A 28 PHE HA H 1 4.165 0.05 A 28 PHE C C 13 176.323 0.2 A 28 PHE CA C 13 61.738 0.2 A 28 PHE CB C 13 39.182 0.2 A 28 PHE N N 15 122.020 0.1 A 29 LEU H H 1 8.631 0.05 A 29 LEU HA H 1 3.712 0.05 A 29 LEU C C 13 178.103 0.2 A 29 LEU CA C 13 58.171 0.2 A 29 LEU CB C 13 41.995 0.2 A 29 LEU N N 15 118.508 0.1 A 30 PHE H H 1 8.701 0.05 A 30 PHE HA H 1 3.859 0.05 A 30 PHE CA C 13 61.654 0.2 A 30 PHE CB C 13 38.855 0.2 A 30 PHE N N 15 117.713 0.1 A 31 SER H H 1 8.137 0.05 A 31 SER HA H 1 3.933 0.05 A 31 SER C C 13 175.646 0.2 A 31 SER CA C 13 63.631 0.2 A 31 SER CB C 13 62.767 0.2 A 31 SER N N 15 115.131 0.1 A 32 VAL H H 1 7.820 0.05 A 32 VAL HA H 1 3.461 0.05 A 32 VAL HB H 1 1.966 0.05 A 32 VAL C C 13 178.552 0.2 A 32 VAL CA C 13 66.397 0.2 A 32 VAL CB C 13 31.352 0.2 A 32 VAL N N 15 120.892 0.1 A 33 VAL H H 1 8.061 0.05 A 33 VAL HA H 1 3.403 0.05 A 33 VAL C C 13 177.129 0.2 A 33 VAL CA C 13 67.702 0.2 A 33 VAL CB C 13 31.405 0.2 A 33 VAL N N 15 121.892 0.1 A 34 ILE H H 1 8.285 0.05 A 34 ILE HA H 1 3.566 0.05 A 34 ILE C C 13 178.041 0.2 A 34 ILE CA C 13 64.340 0.2 A 34 ILE CB C 13 36.429 0.2 A 34 ILE N N 15 117.742 0.1 A 35 GLY H H 1 8.676 0.05 A 35 GLY HAy H 1 3.662 0.05 A 35 GLY C C 13 174.842 0.2 A 35 GLY CA C 13 47.696 0.2 A 35 GLY N N 15 107.221 0.1 A 36 SER H H 1 8.185 0.05 A 36 SER HA H 1 4.080 0.05 A 36 SER C C 13 175.749 0.2 A 36 SER CA C 13 63.895 0.2 A 36 SER CB C 13 63.038 0.2 A 36 SER N N 15 117.895 0.1 A 37 ILE H H 1 7.971 0.05 A 37 ILE HA H 1 3.650 0.05 A 37 ILE C C 13 177.436 0.2 A 37 ILE CA C 13 66.079 0.2 A 37 ILE CB C 13 37.947 0.2 A 37 ILE N N 15 122.412 0.1 A 38 TYR H H 1 8.450 0.05 A 38 TYR HA H 1 4.167 0.05 A 38 TYR C C 13 176.818 0.2 A 38 TYR CA C 13 62.452 0.2 A 38 TYR CB C 13 38.266 0.2 A 38 TYR N N 15 119.517 0.1 A 39 LEU H H 1 8.369 0.05 A 39 LEU HA H 1 3.697 0.05 A 39 LEU HBy H 1 1.410 0.05 A 39 LEU C C 13 178.873 0.2 A 39 LEU CA C 13 57.930 0.2 A 39 LEU CB C 13 42.161 0.2 A 39 LEU N N 15 117.459 0.1 A 40 PHE H H 1 8.317 0.05 A 40 PHE C C 13 177.002 0.2 A 40 PHE CA C 13 61.209 0.2 A 40 PHE CB C 13 35.567 0.2 A 40 PHE N N 15 118.068 0.1 A 41 LEU H H 1 8.309 0.05 A 41 LEU HA H 1 3.981 0.05 A 41 LEU HBy H 1 1.472 0.05 A 41 LEU C C 13 177.917 0.2 A 41 LEU CA C 13 56.741 0.2 A 41 LEU CB C 13 42.355 0.2 A 41 LEU N N 15 117.738 0.1 A 42 ARG H H 1 7.957 0.05 A 42 ARG HA H 1 4.011 0.05 A 42 ARG CA C 13 57.096 0.2 A 42 ARG CB C 13 29.875 0.2 A 42 ARG N N 15 118.199 0.1 A 43 LYS H H 1 7.799 0.05 A 43 LYS HA H 1 4.174 0.05 A 43 LYS C C 13 176.558 0.2 A 43 LYS CA C 13 56.430 0.2 A 43 LYS CB C 13 32.576 0.2 A 43 LYS N N 15 119.027 0.1 A 44 ARG H H 1 7.727 0.05 A 44 ARG HA H 1 4.172 0.05 A 44 ARG C C 13 175.813 0.2 A 44 ARG CA C 13 56.216 0.2 A 44 ARG CB C 13 30.658 0.2 A 44 ARG N N 15 120.558 0.1 A 45 GLN H H 1 8.141 0.05 A 45 GLN C C 13 173.795 0.2 A 45 GLN CA C 13 53.615 0.2 A 45 GLN CB C 13 29.002 0.2 A 45 GLN N N 15 122.179 0.1 A 46 PRO HA H 1 4.382 0.05 A 46 PRO HBx H 1 1.875 0.05 A 46 PRO C C 13 176.477 0.2 A 46 PRO CA C 13 63.247 0.2 A 46 PRO CB C 13 32.072 0.2 A 47 ASP H H 1 8.333 0.05 A 47 ASP HA H 1 4.586 0.05 A 47 ASP C C 13 176.316 0.2 A 47 ASP CA C 13 54.356 0.2 A 47 ASP CB C 13 41.547 0.2 A 47 ASP N N 15 120.424 0.1 A 48 GLY H H 1 8.063 0.05 A 48 GLY C C 13 171.778 0.2 A 48 GLY CA C 13 44.630 0.2 A 48 GLY N N 15 108.892 0.1 A 49 PRO HA H 1 4.371 0.05 A 49 PRO HBx H 1 1.855 0.05 A 49 PRO C C 13 177.077 0.2 A 49 PRO CA C 13 63.235 0.2 A 49 PRO CB C 13 32.148 0.2 A 50 LEU H H 1 8.263 0.05 A 50 LEU HA H 1 4.245 0.05 A 50 LEU C C 13 177.320 0.2 A 50 LEU CA C 13 55.264 0.2 A 50 LEU CB C 13 42.248 0.2 A 50 LEU N N 15 121.757 0.1 A 51 GLU H H 1 8.166 0.05 A 51 GLU CA C 13 56.531 0.2 A 51 GLU CB C 13 30.370 0.2 A 51 GLU N N 15 121.007 0.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 A 3 TYR H A 2 THR HA 1.0 1.8000 4.1380 2 2 A 3 TYR H A 2 THR H 1.0 1.8000 4.3750 3 3 A 4 PHE H A 3 TYR HA 1.0 1.8000 3.7500 4 4 A 3 TYR H A 4 PHE H 1.0 1.8000 4.0130 5 5 A 4 PHE H A 5 TYR H 1.0 1.8000 3.8100 6 6 A 4 PHE H A 4 PHE HA 1.0 1.8000 4.3750 7 7 A 5 TYR H A 5 TYR HA 1.0 1.8000 3.8440 8 8 A 5 TYR H A 5 TYR HBy 1.0 1.8000 3.8630 9 9 A 5 TYR HBy A 6 VAL H 1.0 1.8000 3.9200 10 10 A 6 VAL H A 6 VAL HA 1.0 1.8000 3.4840 11 11 A 4 PHE HA A 7 THR H 1.0 1.8000 3.7600 12 12 A 5 TYR HA A 7 THR H 1.0 1.8000 3.9020 13 13 A 3 TYR HA A 7 THR H 1.0 1.8000 4.2340 14 14 A 6 VAL HA A 7 THR H 1.0 1.8000 3.8600 15 15 A 7 THR H A 7 THR HA 1.0 1.8000 3.8170 16 16 A 5 TYR HA A 8 ASP H 1.0 1.8000 3.6040 17 17 A 5 TYR HA A 8 ASP H 1.0 1.8000 3.7860 18 18 A 7 THR HA A 8 ASP H 1.0 1.8000 3.8960 19 19 A 7 THR H A 8 ASP H 1.0 1.8000 3.4620 20 20 A 9 TYR H A 8 ASP HA 1.0 1.8000 3.2630 21 21 A 8 ASP H A 9 TYR H 1.0 1.8000 4.0750 22 22 A 8 ASP H A 9 TYR H 1.0 1.8000 3.4570 23 23 A 9 TYR H A 9 TYR HBy 1.0 1.8000 3.1290 24 24 A 10 LEU H A 9 TYR HA 1.0 1.8000 3.5690 25 25 A 9 TYR H A 10 LEU H 1.0 1.8000 3.6970 26 26 A 9 TYR H A 10 LEU H 1.0 1.8000 4.2430 27 27 A 9 TYR H A 10 LEU H 1.0 1.8000 3.6970 28 28 A 11 ASP H A 10 LEU HA 1.0 1.8000 3.1440 29 29 A 10 LEU H A 11 ASP H 1.0 1.8000 3.6460 30 30 A 10 LEU H A 11 ASP H 1.0 1.8000 3.6490 31 31 A 12 VAL H A 11 ASP HA 1.0 1.8000 3.1900 32 32 A 11 ASP H A 12 VAL H 1.0 2.4329 4.1519 33 33 A 12 VAL H A 11 ASP HBy 1.0 1.8000 4.0230 34 34 A 15 ASN H A 14 SER HA 1.0 1.8000 4.3290 35 35 A 15 ASN H A 14 SER H 1.0 1.8000 3.9710 36 36 A 14 SER HA A 16 ILE H 1.0 1.8000 3.4810 37 37 A 16 ILE H A 15 ASN HA 1.0 1.8000 3.8200 38 38 A 16 ILE H A 16 ILE HB 1.0 1.8000 3.2600 39 39 A 16 ILE H A 16 ILE HA 1.0 1.8000 3.6110 40 40 A 16 ILE H A 15 ASN HBy 1.0 1.8000 4.3980 41 41 A 15 ASN H A 17 ALA H 1.0 1.8000 3.9880 42 42 A 16 ILE HA A 17 ALA H 1.0 1.8000 3.0650 43 43 A 16 ILE HB A 17 ALA H 1.0 1.8000 3.5140 44 44 A 16 ILE H A 17 ALA H 1.0 1.8000 3.1990 45 45 A 16 ILE H A 17 ALA H 1.0 1.8000 3.1370 46 46 A 18 LYS H A 17 ALA HA 1.0 1.8000 3.5640 47 47 A 17 ALA H A 18 LYS H 1.0 1.8000 3.8500 48 48 A 18 LYS H A 19 ILE H 1.0 1.8000 3.7970 49 49 A 18 LYS H A 17 ALA HB1 1.0 1.8000 3.9750 50 50 A 19 ILE H A 17 ALA HB1 1.0 1.8000 4.3320 51 51 A 19 ILE H A 18 LYS HA 1.0 1.8000 3.3740 52 52 A 19 ILE H A 18 LYS HBy 1.0 1.8000 3.3410 53 53 A 18 LYS H A 19 ILE H 1.0 1.8000 3.8530 54 54 A 16 ILE HA A 20 ILE H 1.0 1.8000 3.8290 55 55 A 18 LYS H A 20 ILE H 1.0 1.8000 3.5970 56 56 A 20 ILE H A 19 ILE HB 1.0 1.8000 3.1140 57 57 A 18 LYS HA A 22 GLY H 1.0 1.8000 3.1440 58 58 A 22 GLY H A 21 ILE HA 1.0 1.8000 3.7320 59 59 A 25 ILE H A 24 LEU HBy 1.0 1.8000 3.9430 60 60 A 25 ILE H A 24 LEU HBy 1.0 1.8000 3.3650 61 61 A 25 ILE H A 24 LEU H 1.0 1.8000 3.6110 62 62 A 25 ILE H A 24 LEU H 1.0 1.8000 4.3480 63 63 A 25 ILE H A 25 ILE HA 1.0 1.8000 3.8780 64 64 A 26 PHE H A 24 LEU HA 1.0 1.8000 3.6320 65 65 A 26 PHE H A 25 ILE HB 1.0 1.8000 3.4610 66 66 A 25 ILE H A 26 PHE H 1.0 1.8000 3.6100 67 67 A 25 ILE H A 26 PHE H 1.0 1.8000 3.3850 68 68 A 26 PHE H A 27 VAL H 1.0 1.8000 3.5630 69 69 A 26 PHE H A 27 VAL H 1.0 1.8000 3.8700 70 70 A 27 VAL H A 27 VAL HA 1.0 1.8000 4.0670 71 71 A 24 LEU HA A 28 PHE H 1.0 1.8000 4.3170 72 72 A 28 PHE H A 27 VAL HB 1.0 1.8000 3.8980 73 73 A 28 PHE H A 28 PHE HA 1.0 1.8000 3.4320 74 74 A 28 PHE H A 28 PHE HBy 1.0 1.8000 3.3050 75 75 A 27 VAL H A 29 LEU H 1.0 1.8000 4.1320 76 76 A 28 PHE HBy A 29 LEU H 1.0 1.8000 3.2530 77 77 A 29 LEU H A 29 LEU HA 1.0 1.8000 3.1630 78 78 A 27 VAL HA A 30 PHE H 1.0 1.8000 3.7700 79 79 A 28 PHE H A 30 PHE H 1.0 1.8000 3.9220 80 80 A 30 PHE H A 30 PHE HA 1.0 1.8000 3.2130 81 81 A 29 LEU H A 31 SER H 1.0 1.8000 4.0310 82 82 A 31 SER H A 30 PHE HBy 1.0 1.8000 3.6210 83 83 A 30 PHE H A 31 SER H 1.0 1.8000 3.3230 84 84 A 30 PHE H A 31 SER H 1.0 1.8000 3.2350 85 85 A 31 SER H A 31 SER HA 1.0 1.8000 4.3620 86 86 A 31 SER H A 31 SER HBy 1.0 1.8000 3.3540 87 87 A 28 PHE HA A 32 VAL H 1.0 1.8000 4.0510 88 88 A 31 SER HA A 32 VAL H 1.0 1.8000 3.4020 89 89 A 31 SER H A 32 VAL H 1.0 1.8000 3.5150 90 90 A 31 SER H A 32 VAL H 1.0 1.8000 3.5950 91 91 A 32 VAL H A 32 VAL HA 1.0 1.8000 3.1700 92 92 A 32 VAL H A 32 VAL HB 1.0 1.8000 3.0660 93 93 A 32 VAL HA A 33 VAL H 1.0 1.8000 3.6300 94 94 A 32 VAL H A 33 VAL H 1.0 1.8000 3.3060 95 95 A 33 VAL H A 34 ILE H 1.0 1.8000 3.2100 96 96 A 33 VAL H A 34 ILE H 1.0 1.8000 3.7530 97 97 A 35 GLY H A 34 ILE HA 1.0 1.9730 3.3030 98 98 A 34 ILE H A 35 GLY H 1.0 1.8000 4.3630 99 99 A 34 ILE H A 35 GLY H 1.0 1.8000 3.4840 100 100 A 36 SER H A 35 GLY HAy 1.0 1.8000 3.0280 101 101 A 35 GLY H A 36 SER H 1.0 1.8000 3.7030 102 102 A 36 SER H A 36 SER HA 1.0 1.8000 2.9680 103 103 A 35 GLY HAy A 37 ILE H 1.0 2.4000 3.8540 104 104 A 36 SER H A 37 ILE H 1.0 1.8000 3.9550 105 105 A 36 SER H A 37 ILE H 1.0 1.8000 4.2970 106 106 A 34 ILE HA A 38 TYR H 1.0 1.8000 3.6890 107 107 A 36 SER HA A 38 TYR H 1.0 2.0000 4.2810 108 108 A 38 TYR H A 37 ILE HA 1.0 1.8000 3.8810 109 109 A 37 ILE H A 38 TYR H 1.0 1.8000 3.7200 110 110 A 37 ILE H A 38 TYR H 1.0 1.8000 3.7740 111 111 A 38 TYR H A 38 TYR HBy 1.0 1.8000 3.7020 112 112 A 39 LEU H A 38 TYR HA 1.0 2.8000 4.9700 113 113 A 38 TYR HBy A 39 LEU H 1.0 1.8000 3.7860 114 114 A 38 TYR H A 39 LEU H 1.0 2.8000 4.7930 115 115 A 39 LEU H A 39 LEU HA 1.0 1.8000 3.8600 116 116 A 38 TYR HA A 41 LEU H 1.0 1.8000 3.1450 117 117 A 41 LEU H A 41 LEU HA 1.0 1.8000 3.2290 118 118 A 41 LEU HA A 42 ARG H 1.0 2.0000 3.1870 119 119 A 41 LEU H A 42 ARG H 1.0 1.8000 3.3640 120 120 A 43 LYS H A 42 ARG HA 1.0 1.8000 3.3280 121 121 A 42 ARG H A 43 LYS H 1.0 1.8000 3.3350 122 122 A 42 ARG H A 43 LYS H 1.0 1.8000 3.0110 123 123 A 43 LYS H A 43 LYS HA 1.0 1.8000 2.9950 124 124 A 43 LYS HA A 44 ARG H 1.0 1.8000 3.2350 125 125 A 45 GLN H A 44 ARG HA 1.0 1.8000 3.3950 126 126 A 47 ASP H A 46 PRO HA 1.0 1.8000 3.4670 127 127 A 47 ASP H A 47 ASP HA 1.0 1.8000 2.6400 128 128 A 47 ASP HA A 48 GLY H 1.0 1.8000 2.5700 129 129 A 47 ASP H A 48 GLY H 1.0 1.8000 4.0920 130 130 A 50 LEU H A 49 PRO HA 1.0 1.8000 3.2250 131 131 A 51 GLU H A 50 LEU HA 1.0 1.8000 4.2310 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 A 18 LYS H A 14 SER O 1.0 1.8 2.3 2 2 A 14 SER O A 18 LYS N 1.0 2.8 3.3 3 3 A 19 ILE H A 15 ASN O 1.0 1.8 2.3 4 4 A 15 ASN O A 19 ILE N 1.0 2.8 3.3 5 5 A 20 ILE H A 16 ILE O 1.0 1.8 2.3 6 6 A 16 ILE O A 20 ILE N 1.0 2.8 3.3 7 7 A 22 GLY H A 18 LYS O 1.0 1.8 2.3 8 8 A 18 LYS O A 22 GLY N 1.0 2.8 3.3 9 9 A 25 ILE H A 21 ILE O 1.0 1.8 2.3 10 10 A 21 ILE O A 25 ILE N 1.0 2.8 3.3 11 11 A 26 PHE H A 22 GLY O 1.0 1.8 2.3 12 12 A 22 GLY O A 26 PHE N 1.0 2.8 3.3 13 13 A 28 PHE H A 24 LEU O 1.0 1.8 2.3 14 14 A 24 LEU O A 28 PHE N 1.0 2.8 3.3 15 15 A 29 LEU H A 25 ILE O 1.0 1.8 2.3 16 16 A 25 ILE O A 29 LEU N 1.0 2.8 3.3 17 17 A 30 PHE H A 26 PHE O 1.0 1.8 2.3 18 18 A 26 PHE O A 30 PHE N 1.0 2.8 3.3 19 19 A 31 SER H A 27 VAL O 1.0 1.8 2.3 20 20 A 27 VAL O A 31 SER N 1.0 2.8 3.3 21 21 A 32 VAL H A 28 PHE O 1.0 1.8 2.3 22 22 A 28 PHE O A 32 VAL N 1.0 2.8 3.3 23 23 A 33 VAL H A 29 LEU O 1.0 1.8 2.3 24 24 A 29 LEU O A 33 VAL N 1.0 2.8 3.3 25 25 A 34 ILE H A 30 PHE O 1.0 1.8 2.3 26 26 A 30 PHE O A 34 ILE N 1.0 2.8 3.3 27 27 A 35 GLY H A 31 SER O 1.0 1.8 2.3 28 28 A 31 SER O A 35 GLY N 1.0 2.8 3.3 29 29 A 36 SER H A 32 VAL O 1.0 1.8 2.3 30 30 A 32 VAL O A 36 SER N 1.0 2.8 3.3 31 31 A 37 ILE H A 33 VAL O 1.0 1.8 2.3 32 32 A 33 VAL O A 37 ILE N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 A 1 MET C A 2 THR N A 2 THR CA A 2 THR C 1.0 -112.00 -36.00 PHI 2 2 A 2 THR C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -110.09 -36.53 PHI 3 3 A 3 TYR C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -118.54 -36.96 PHI 4 4 A 4 PHE C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -91.97 -44.15 PHI 5 5 A 5 TYR C A 6 VAL N A 6 VAL CA A 6 VAL C 1.0 -87.97 -47.59 PHI 6 6 A 6 VAL C A 7 THR N A 7 THR CA A 7 THR C 1.0 -108.72 -32.00 PHI 7 7 A 7 THR C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -81.65 -51.07 PHI 8 8 A 8 ASP C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -86.27 -55.55 PHI 9 9 A 9 TYR C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -136.58 -74.90 PHI 10 10 A 10 LEU C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -135.68 -22.46 PHI 11 11 A 11 ASP C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -166.22 -43.42 PHI 12 12 A 12 VAL C A 13 PRO N A 13 PRO CA A 13 PRO C 1.0 -76.08 -51.52 PHI 13 13 A 13 PRO C A 14 SER N A 14 SER CA A 14 SER C 1.0 -71.03 -45.13 PHI 14 14 A 14 SER C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 -75.83 -56.93 PHI 15 15 A 15 ASN C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -76.00 -51.58 PHI 16 16 A 16 ILE C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -74.97 -52.59 PHI 17 17 A 17 ALA C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -88.63 -47.53 PHI 18 18 A 18 LYS C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -92.16 -35.16 PHI 19 19 A 19 ILE C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -129.17 -32.31 PHI 20 20 A 20 ILE C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -91.51 -45.13 PHI 21 21 A 21 ILE C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -63.00 -35.00 PHI 22 22 A 22 GLY C A 23 PRO N A 23 PRO CA A 23 PRO C 1.0 -64.24 -54.10 PHI 23 23 A 23 PRO C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -80.65 -51.67 PHI 24 24 A 24 LEU C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -78.39 -51.35 PHI 25 25 A 25 ILE C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -68.43 -52.85 PHI 26 26 A 26 PHE C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -71.09 -58.67 PHI 27 27 A 27 VAL C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -70.87 -52.79 PHI 28 28 A 28 PHE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -73.01 -52.55 PHI 29 29 A 29 LEU C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -75.67 -55.61 PHI 30 30 A 30 PHE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -67.74 -55.58 PHI 31 31 A 31 SER C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -69.99 -56.63 PHI 32 32 A 32 VAL C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -74.52 -54.02 PHI 33 33 A 33 VAL C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -71.62 -53.74 PHI 34 34 A 34 ILE C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -74.38 -56.90 PHI 35 35 A 35 GLY C A 36 SER N A 36 SER CA A 36 SER C 1.0 -71.25 -53.79 PHI 36 36 A 36 SER C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -73.03 -52.81 PHI 37 37 A 37 ILE C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -74.02 -46.94 PHI 38 38 A 38 TYR C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -86.85 -44.27 PHI 39 39 A 39 LEU C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -74.14 -52.42 PHI 40 40 A 40 PHE C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -88.45 -47.45 PHI 41 41 A 41 LEU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -118.22 -35.70 PHI 42 42 A 42 ARG C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -141.01 -43.51 PHI 43 43 A 46 PRO C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -121.00 -57.00 PHI 44 44 A 2 THR N A 2 THR CA A 2 THR C A 3 TYR N 1.0 -44.00 12.00 PSI 45 45 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 PHE N 1.0 -57.20 -7.44 PSI 46 46 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 TYR N 1.0 -71.41 4.87 PSI 47 47 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 VAL N 1.0 -62.21 -13.95 PSI 48 48 A 6 VAL N A 6 VAL CA A 6 VAL C A 7 THR N 1.0 -83.34 27.66 PSI 49 49 A 7 THR N A 7 THR CA A 7 THR C A 8 ASP N 1.0 -61.88 -16.54 PSI 50 50 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 TYR N 1.0 -56.53 -22.53 PSI 51 51 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 LEU N 1.0 -51.76 -6.38 PSI 52 52 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ASP N 1.0 -50.86 43.18 PSI 53 53 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 VAL N 1.0 127.65 172.03 PSI 54 54 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 PRO N 1.0 70.93 190.69 PSI 55 55 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 SER N 1.0 133.75 165.85 PSI 56 56 A 14 SER N A 14 SER CA A 14 SER C A 15 ASN N 1.0 -49.42 -12.76 PSI 57 57 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 ILE N 1.0 -54.55 -12.49 PSI 58 58 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ALA N 1.0 -55.73 -14.77 PSI 59 59 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 LYS N 1.0 -59.36 -23.60 PSI 60 60 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ILE N 1.0 -90.33 27.79 PSI 61 61 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ILE N 1.0 -54.75 -13.71 PSI 62 62 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 ILE N 1.0 -57.53 9.21 PSI 63 63 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 GLY N 1.0 -57.93 -7.37 PSI 64 64 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 PRO N 1.0 -61.00 -33.00 PSI 65 65 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 LEU N 1.0 -45.77 -14.95 PSI 66 66 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ILE N 1.0 -48.30 -23.08 PSI 67 67 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 PHE N 1.0 -52.61 -35.87 PSI 68 68 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 VAL N 1.0 -49.73 -32.07 PSI 69 69 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 PHE N 1.0 -52.33 -32.43 PSI 70 70 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 LEU N 1.0 -55.78 -30.96 PSI 71 71 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 PHE N 1.0 -53.88 -32.04 PSI 72 72 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 SER N 1.0 -57.31 -24.13 PSI 73 73 A 31 SER N A 31 SER CA A 31 SER C A 32 VAL N 1.0 -46.03 -37.49 PSI 74 74 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 VAL N 1.0 -48.77 -35.79 PSI 75 75 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 ILE N 1.0 -56.60 -31.94 PSI 76 76 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 GLY N 1.0 -61.91 -20.57 PSI 77 77 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 SER N 1.0 -53.97 -30.37 PSI 78 78 A 36 SER N A 36 SER CA A 36 SER C A 37 ILE N 1.0 -58.55 -27.53 PSI 79 79 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 TYR N 1.0 -49.53 -34.97 PSI 80 80 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 LEU N 1.0 -56.06 -32.56 PSI 81 81 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 PHE N 1.0 -56.31 -26.55 PSI 82 82 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 LEU N 1.0 -53.23 -15.43 PSI 83 83 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 ARG N 1.0 -61.58 -13.66 PSI 84 84 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LYS N 1.0 -67.84 -4.42 PSI 85 85 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ARG N 1.0 -62.96 31.52 PSI 86 86 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 GLY N 1.0 -55.00 37.00 PSI stop_ save_