data_nef_c15876_2k6o 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 2FBS PDB 2FBU 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 LEU start . . 2 A 2 LEU middle . . 3 A 3 GLY middle . false 4 A 4 ASP middle . . 5 A 5 PHE middle . . 6 A 6 PHE middle . . 7 A 7 ARG middle . . 8 A 8 LYS middle . . 9 A 9 SER middle . . 10 A 10 LYS middle . . 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 ILE middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 GLU middle . . 17 A 17 PHE middle . . 18 A 18 LYS middle . . 19 A 19 ARG middle . . 20 A 20 ILE middle . . 21 A 21 VAL middle . . 22 A 22 GLN middle . . 23 A 23 ARG middle . . 24 A 24 ILE middle . . 25 A 25 LYS middle . . 26 A 26 ASP middle . . 27 A 27 PHE middle . . 28 A 28 LEU middle . . 29 A 29 ARG middle . . 30 A 30 ASN middle . . 31 A 31 LEU middle . . 32 A 32 VAL middle . . 33 A 33 PRO middle . false 34 A 34 ARG middle . . 35 A 35 THR middle . . 36 A 36 GLU middle . . 37 A 37 SER 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 LEU HA H 1 4.3281 . A 1 LEU CA C 13 57.4484 . A 1 LEU CB C 13 42.6173 . A 1 LEU N N 15 123.1800 . A 2 LEU HA H 1 4.2137 . A 2 LEU C C 13 178.4110 . A 2 LEU CA C 13 57.2388 . A 2 LEU CB C 13 41.6401 . A 2 LEU N N 15 118.9658 . A 3 GLY HAy H 1 4.06 . A 3 GLY HAx H 1 3.89 . A 3 GLY C C 13 175.6530 . A 3 GLY CA C 13 47.2794 . A 3 GLY N N 15 107.0188 . A 4 ASP HA H 1 4.5235 . A 4 ASP C C 13 178.1180 . A 4 ASP CA C 13 56.8338 . A 4 ASP CB C 13 39.9710 . A 4 ASP N N 15 120.3935 . A 5 PHE HA H 1 4.2282 . A 5 PHE C C 13 178.2190 . A 5 PHE CA C 13 61.6007 . A 5 PHE CB C 13 39.0921 . A 5 PHE N N 15 121.0704 . A 6 PHE HA H 1 4.0267 . A 6 PHE C C 13 176.9340 . A 6 PHE CA C 13 61.5281 . A 6 PHE CB C 13 38.9804 . A 6 PHE N N 15 120.4306 . A 7 ARG HA H 1 3.8142 . A 7 ARG C C 13 178.9600 . A 7 ARG CA C 13 60.1097 . A 7 ARG CB C 13 30.3542 . A 7 ARG N N 15 117.7558 . A 8 LYS HA H 1 4.1413 . A 8 LYS C C 13 178.5780 . A 8 LYS CA C 13 58.5871 . A 8 LYS CB C 13 32.5331 . A 8 LYS N N 15 118.0981 . A 9 SER HA H 1 4.2592 . A 9 SER C C 13 175.2160 . A 9 SER CA C 13 60.6162 . A 9 SER CB C 13 63.4629 . A 9 SER N N 15 114.8993 . A 10 LYS HA H 1 3.676 . A 10 LYS C C 13 177.3750 . A 10 LYS CA C 13 60.2021 . A 10 LYS CB C 13 32.1389 . A 10 LYS N N 15 122.1272 . A 11 GLU HA H 1 4.1147 . A 11 GLU C C 13 178.4580 . A 11 GLU CA C 13 58.9127 . A 11 GLU CB C 13 28.9832 . A 11 GLU N N 15 117.4476 . A 12 LYS HA H 1 4.1510 . A 12 LYS C C 13 178.2270 . A 12 LYS CA C 13 58.7533 . A 12 LYS CB C 13 33.0272 . A 12 LYS N N 15 118.8892 . A 13 ILE HA H 1 3.8979 . A 13 ILE C C 13 177.6680 . A 13 ILE CA C 13 64.1432 . A 13 ILE CB C 13 38.4323 . A 13 ILE N N 15 117.0462 . A 14 GLY HAy H 1 4.09 . A 14 GLY HAx H 1 3.79 . A 14 GLY C C 13 175.4590 . A 14 GLY CA C 13 47.8865 . A 14 GLY N N 15 108.2750 . A 15 LYS HA H 1 4.1030 . A 15 LYS C C 13 179.3170 . A 15 LYS CA C 13 59.2555 . A 15 LYS CB C 13 32.4971 . A 15 LYS N N 15 119.5538 . A 16 GLU HA H 1 4.4039 . A 16 GLU C C 13 177.6710 . A 16 GLU CA C 13 57.3789 . A 16 GLU CB C 13 27.9418 . A 16 GLU N N 15 118.5793 . A 17 PHE HA H 1 4.2240 . A 17 PHE C C 13 176.8170 . A 17 PHE CA C 13 61.7497 . A 17 PHE CB C 13 39.2113 . A 17 PHE N N 15 119.9304 . A 18 LYS HA H 1 3.8283 . A 18 LYS C C 13 178.9430 . A 18 LYS CA C 13 59.9475 . A 18 LYS CB C 13 32.1887 . A 18 LYS N N 15 117.0090 . A 19 ARG HA H 1 4.0987 . A 19 ARG C C 13 178.9310 . A 19 ARG CA C 13 59.4318 . A 19 ARG CB C 13 30.1804 . A 19 ARG N N 15 119.2019 . A 20 ILE HA H 1 3.7043 . A 20 ILE C C 13 177.5960 . A 20 ILE CA C 13 64.9565 . A 20 ILE CB C 13 37.8959 . A 20 ILE N N 15 120.4434 . A 21 VAL HA H 1 3.3955 . A 21 VAL C C 13 177.5890 . A 21 VAL CA C 13 67.396 . A 21 VAL CB C 13 31.3292 . A 21 VAL N N 15 119.3993 . A 22 GLN HA H 1 3.8693 . A 22 GLN C C 13 177.7690 . A 22 GLN CA C 13 58.9187 . A 22 GLN CB C 13 28.1968 . A 22 GLN N N 15 117.9628 . A 23 ARG HA H 1 4.2251 . A 23 ARG C C 13 179.4140 . A 23 ARG CA C 13 58.6471 . A 23 ARG CB C 13 29.7742 . A 23 ARG N N 15 118.7562 . A 24 ILE HA H 1 3.7125 . A 24 ILE C C 13 177.5660 . A 24 ILE CA C 13 65.9105 . A 24 ILE CB C 13 37.9895 . A 24 ILE N N 15 119.9298 . A 25 LYS HA H 1 3.8209 . A 25 LYS C C 13 178.2040 . A 25 LYS CA C 13 61.3555 . A 25 LYS CB C 13 32.4423 . A 25 LYS N N 15 119.9108 . A 26 ASP HA H 1 4.3386 . A 26 ASP C C 13 178.0320 . A 26 ASP CA C 13 57.1398 . A 26 ASP CB C 13 39.8065 . A 26 ASP N N 15 117.6751 . A 27 PHE HA H 1 4.3389 . A 27 PHE C C 13 178.0560 . A 27 PHE CA C 13 61.0284 . A 27 PHE CB C 13 39.5812 . A 27 PHE N N 15 121.0283 . A 28 LEU HA H 1 3.8964 . A 28 LEU C C 13 179.0160 . A 28 LEU CA C 13 57.5989 . A 28 LEU CB C 13 41.9995 . A 28 LEU N N 15 118.5402 . A 29 ARG HA H 1 3.9888 . A 29 ARG C C 13 177.7340 . A 29 ARG CA C 13 58.7239 . A 29 ARG CB C 13 30.0284 . A 29 ARG N N 15 117.0937 . A 30 ASN HA H 1 4.6051 . A 30 ASN C C 13 175.4690 . A 30 ASN CA C 13 54.1797 . A 30 ASN CB C 13 39.2141 . A 30 ASN N N 15 114.8183 . A 31 LEU HA H 1 4.1315 . A 31 LEU C C 13 176.8240 . A 31 LEU CA C 13 56.0692 . A 31 LEU CB C 13 43.2650 . A 31 LEU N N 15 120.3281 . A 32 VAL CA C 13 60.8078 . A 32 VAL CB C 13 32.2833 . A 32 VAL N N 15 118.4274 . A 33 PRO HA H 1 4.4350 . A 33 PRO C C 13 177.1450 . A 33 PRO CA C 13 63.7237 . A 33 PRO CB C 13 31.7043 . A 34 ARG HA H 1 4.4064 . A 34 ARG C C 13 176.6580 . A 34 ARG CA C 13 56.1123 . A 34 ARG CB C 13 31.0114 . A 34 ARG N N 15 120.2251 . A 35 THR HA H 1 4.3315 . A 35 THR C C 13 174.5280 . A 35 THR CA C 13 62.0028 . A 35 THR CB C 13 69.9281 . A 35 THR N N 15 114.2727 . A 36 GLU HA H 1 4.4166 . A 36 GLU C C 13 175.4280 . A 36 GLU CA C 13 56.1307 . A 36 GLU CB C 13 29.8665 . A 36 GLU N N 15 123.2328 . A 37 SER CA C 13 59.8560 . A 37 SER CB C 13 64.8333 . A 37 SER N N 15 122.4726 . 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 A 2 LEU H A 1 LEU HA 1.0 1.8 2.9 2 2 A 2 LEU H A 2 LEU HD11 1.0 1.8 5.5 3 2 A 2 LEU H A 2 LEU HD21 1.0 1.8 5.5 4 3 A 2 LEU H A 2 LEU HBy 1.0 1.8 2.9 5 4 A 2 LEU H A 2 LEU HBx 1.0 1.8 2.9 6 5 A 3 GLY H A 2 LEU HD11 1.0 1.8 7.0 7 5 A 2 LEU HD21 A 3 GLY H 1.0 1.8 7.0 8 6 A 2 LEU HBx A 3 GLY H 1.0 1.8 3.8 9 7 A 2 LEU HBy A 3 GLY H 1.0 1.8 3.8 10 8 A 3 GLY H A 2 LEU HA 1.0 1.8 3.4 11 9 A 2 LEU H A 3 GLY H 1.0 1.8 2.9 12 10 A 2 LEU HA A 4 ASP H 1.0 1.8 4.0 13 11 A 2 LEU HA A 5 PHE H 1.0 1.8 3.8 14 12 A 4 ASP H A 3 GLY HAy 1.0 1.8 3.8 15 13 A 4 ASP H A 3 GLY HAx 1.0 1.8 3.4 16 14 A 4 ASP H A 4 ASP HBx 1.0 1.8 2.9 17 15 A 4 ASP H A 4 ASP HBy 1.0 1.8 2.9 18 16 A 5 PHE H A 4 ASP HA 1.0 1.8 3.8 19 17 A 5 PHE H A 4 ASP HBy 1.0 1.8 3.8 20 18 A 5 PHE H A 4 ASP HBx 1.0 1.8 3.8 21 19 A 4 ASP H A 5 PHE H 1.0 1.8 2.9 22 20 A 4 ASP HA A 7 ARG H 1.0 1.8 5.0 23 21 A 5 PHE H A 5 PHE HD% 1.0 1.8 4.5 24 22 A 5 PHE H A 5 PHE HBy 1.0 1.8 3.4 25 23 A 5 PHE H A 5 PHE HBx 1.0 1.8 3.4 26 24 A 5 PHE HD% A 6 PHE H 1.0 1.8 5.0 27 25 A 5 PHE H A 6 PHE HBx 1.0 1.8 5.0 28 25 A 5 PHE H A 6 PHE HBy 1.0 1.8 5.0 29 26 A 6 PHE H A 5 PHE HA 1.0 1.8 3.8 30 27 A 5 PHE HBy A 6 PHE H 1.0 1.8 3.8 31 28 A 5 PHE H A 6 PHE H 1.0 1.8 2.9 32 29 A 5 PHE HBx A 6 PHE H 1.0 1.8 3.4 33 30 A 7 ARG H A 5 PHE HBy 1.0 1.8 5.5 34 31 A 5 PHE HA A 8 LYS H 1.0 1.8 5.0 35 32 A 6 PHE H A 6 PHE HD% 1.0 1.8 5.0 36 33 A 6 PHE H A 6 PHE HBx 1.0 1.8 4.4 37 33 A 6 PHE H A 6 PHE HBy 1.0 1.8 4.4 38 34 A 6 PHE H A 7 ARG HBx 1.0 1.8 6.0 39 34 A 6 PHE H A 7 ARG HBy 1.0 1.8 6.0 40 35 A 7 ARG H A 6 PHE HA 1.0 1.8 3.8 41 36 A 7 ARG H A 6 PHE H 1.0 1.8 3.8 42 37 A 6 PHE H A 8 LYS H 1.0 1.8 5.0 43 38 A 6 PHE HA A 9 SER H 1.0 1.8 5.0 44 39 A 7 ARG H A 7 ARG HDx 1.0 1.8 4.3 45 39 A 7 ARG H A 7 ARG HDy 1.0 1.8 4.3 46 40 A 7 ARG H A 7 ARG HBx 1.0 1.8 4.4 47 40 A 7 ARG H A 7 ARG HBy 1.0 1.8 4.4 48 41 A 8 LYS H A 7 ARG HA 1.0 1.8 3.8 49 42 A 7 ARG H A 8 LYS H 1.0 1.8 3.8 50 43 A 7 ARG HA A 10 LYS H 1.0 1.8 3.8 51 44 A 8 LYS H A 8 LYS HDx 1.0 1.8 6.0 52 44 A 8 LYS H A 8 LYS HDy 1.0 1.8 6.0 53 45 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.5 54 45 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.5 55 46 A 8 LYS H A 8 LYS HBx 1.0 1.8 4.4 56 46 A 8 LYS H A 8 LYS HBy 1.0 1.8 4.4 57 47 A 9 SER H A 8 LYS HGx 1.0 1.8 6.0 58 47 A 9 SER H A 8 LYS HGy 1.0 1.8 6.0 59 48 A 9 SER H A 8 LYS HDx 1.0 1.8 6.0 60 48 A 9 SER H A 8 LYS HDy 1.0 1.8 6.0 61 49 A 9 SER H A 8 LYS HA 1.0 1.8 3.8 62 50 A 9 SER H A 8 LYS HBx 1.0 1.8 5.0 63 50 A 9 SER H A 8 LYS HBy 1.0 1.8 5.0 64 51 A 8 LYS H A 9 SER H 1.0 1.8 2.9 65 52 A 10 LYS H A 8 LYS HA 1.0 1.8 5.0 66 53 A 8 LYS H A 10 LYS H 1.0 1.8 4.0 67 54 A 9 SER H A 9 SER HBx 1.0 1.8 4.4 68 54 A 9 SER H A 9 SER HBy 1.0 1.8 4.4 69 55 A 10 LYS H A 9 SER HA 1.0 1.8 3.8 70 56 A 10 LYS H A 9 SER HBx 1.0 1.8 5.0 71 56 A 10 LYS H A 9 SER HBy 1.0 1.8 5.0 72 57 A 9 SER HA A 12 LYS H 1.0 1.8 3.8 73 58 A 10 LYS H A 10 LYS HGx 1.0 1.8 5.0 74 58 A 10 LYS H A 10 LYS HGy 1.0 1.8 5.0 75 59 A 10 LYS H A 10 LYS HBx 1.0 1.8 4.4 76 59 A 10 LYS H A 10 LYS HBy 1.0 1.8 4.4 77 60 A 11 GLU H A 10 LYS HGx 1.0 1.8 5.0 78 60 A 10 LYS HGy A 11 GLU H 1.0 1.8 5.0 79 61 A 11 GLU H A 10 LYS HA 1.0 1.8 3.8 80 62 A 10 LYS H A 11 GLU H 1.0 1.8 3.8 81 63 A 11 GLU H A 10 LYS HBx 1.0 1.8 5.0 82 63 A 10 LYS HBy A 11 GLU H 1.0 1.8 5.0 83 64 A 11 GLU H A 11 GLU HGx 1.0 1.8 5.0 84 65 A 11 GLU H A 11 GLU HGy 1.0 1.8 3.8 85 66 A 11 GLU H A 11 GLU HBx 1.0 1.8 4.4 86 66 A 11 GLU H A 11 GLU HBy 1.0 1.8 4.4 87 67 A 12 LYS H A 11 GLU HBx 1.0 1.8 4.4 88 67 A 12 LYS H A 11 GLU HBy 1.0 1.8 4.4 89 68 A 12 LYS H A 11 GLU HA 1.0 1.8 3.4 90 69 A 11 GLU HA A 13 ILE H 1.0 1.8 3.8 91 70 A 12 LYS H A 12 LYS HDx 1.0 1.8 5.0 92 70 A 12 LYS H A 12 LYS HDy 1.0 1.8 5.0 93 71 A 12 LYS H A 12 LYS HGx 1.0 1.8 4.4 94 71 A 12 LYS H A 12 LYS HGy 1.0 1.8 4.4 95 72 A 12 LYS H A 12 LYS HBx 1.0 1.8 4.4 96 72 A 12 LYS H A 12 LYS HBy 1.0 1.8 4.4 97 73 A 12 LYS H A 13 ILE HG21 1.0 1.8 4.8 98 74 A 13 ILE H A 12 LYS HA 1.0 1.8 3.8 99 75 A 12 LYS H A 13 ILE H 1.0 1.8 3.8 100 76 A 12 LYS HA A 15 LYS H 1.0 1.8 5.0 101 77 A 13 ILE H A 13 ILE HD11 1.0 1.8 5.3 102 78 A 13 ILE H A 13 ILE HG1x 1.0 1.8 3.8 103 79 A 13 ILE H A 13 ILE HG21 1.0 1.8 5.0 104 80 A 13 ILE H A 13 ILE HG1y 1.0 1.8 3.8 105 81 A 13 ILE H A 13 ILE HB 1.0 1.8 3.4 106 82 A 13 ILE HG1y A 14 GLY H 1.0 1.8 5.0 107 83 A 13 ILE H A 14 GLY H 1.0 1.8 3.8 108 84 A 14 GLY H A 13 ILE HA 1.0 1.8 3.8 109 85 A 13 ILE HB A 14 GLY H 1.0 1.8 3.8 110 86 A 13 ILE HA A 16 GLU H 1.0 1.8 3.8 111 87 A 13 ILE HG21 A 16 GLU H 1.0 1.8 6.5 112 88 A 15 LYS H A 14 GLY HAx 1.0 1.8 3.8 113 89 A 15 LYS H A 14 GLY H 1.0 1.8 3.8 114 90 A 15 LYS H A 15 LYS HDx 1.0 1.8 6.0 115 90 A 15 LYS H A 15 LYS HDy 1.0 1.8 6.0 116 91 A 15 LYS H A 15 LYS HGx 1.0 1.8 5.0 117 91 A 15 LYS H A 15 LYS HGy 1.0 1.8 5.0 118 92 A 15 LYS H A 15 LYS HBx 1.0 1.8 4.4 119 92 A 15 LYS H A 15 LYS HBy 1.0 1.8 4.4 120 93 A 16 GLU H A 15 LYS HDx 1.0 1.8 4.0 121 93 A 16 GLU H A 15 LYS HDy 1.0 1.8 4.0 122 94 A 16 GLU H A 15 LYS HA 1.0 1.8 3.8 123 95 A 16 GLU H A 15 LYS HBx 1.0 1.8 4.4 124 95 A 16 GLU H A 15 LYS HBy 1.0 1.8 4.4 125 96 A 15 LYS HA A 18 LYS H 1.0 1.8 4.0 126 97 A 16 GLU H A 16 GLU HGx 1.0 1.8 3.8 127 98 A 16 GLU H A 16 GLU HGy 1.0 1.8 3.8 128 99 A 16 GLU H A 16 GLU HBx 1.0 1.8 4.4 129 99 A 16 GLU H A 16 GLU HBy 1.0 1.8 4.4 130 100 A 16 GLU H A 17 PHE HD% 1.0 1.8 7.0 131 101 A 16 GLU H A 17 PHE HBx 1.0 1.8 5.5 132 101 A 16 GLU H A 17 PHE HBy 1.0 1.8 5.5 133 102 A 17 PHE H A 16 GLU HBx 1.0 1.8 4.8 134 102 A 16 GLU HBy A 17 PHE H 1.0 1.8 4.8 135 103 A 16 GLU H A 17 PHE H 1.0 1.8 3.8 136 104 A 16 GLU H A 18 LYS H 1.0 1.8 4.8 137 105 A 16 GLU HA A 19 ARG H 1.0 1.8 5.0 138 106 A 17 PHE H A 17 PHE HBx 1.0 1.8 4.4 139 106 A 17 PHE HBy A 17 PHE H 1.0 1.8 4.4 140 107 A 18 LYS H A 17 PHE HD% 1.0 1.8 6.0 141 108 A 18 LYS H A 17 PHE H 1.0 1.8 3.8 142 109 A 18 LYS H A 17 PHE HA 1.0 1.8 3.8 143 110 A 18 LYS H A 17 PHE HBx 1.0 1.8 4.4 144 110 A 18 LYS H A 17 PHE HBy 1.0 1.8 4.4 145 111 A 17 PHE HA A 20 ILE H 1.0 1.8 3.8 146 112 A 17 PHE HA A 21 VAL H 1.0 1.8 5.0 147 113 A 19 ARG H A 18 LYS HA 1.0 1.8 3.8 148 114 A 18 LYS H A 19 ARG H 1.0 1.8 3.8 149 115 A 21 VAL H A 18 LYS HA 1.0 1.8 3.8 150 116 A 19 ARG H A 19 ARG HDx 1.0 1.8 6.0 151 116 A 19 ARG H A 19 ARG HDy 1.0 1.8 6.0 152 117 A 19 ARG H A 19 ARG HGx 1.0 1.8 5.0 153 117 A 19 ARG H A 19 ARG HGy 1.0 1.8 5.0 154 118 A 20 ILE H A 19 ARG HA 1.0 1.8 5.0 155 119 A 19 ARG H A 20 ILE H 1.0 1.8 3.8 156 120 A 19 ARG HA A 22 GLN H 1.0 1.8 5.0 157 121 A 19 ARG HA A 23 ARG H 1.0 1.8 4.0 158 122 A 20 ILE H A 20 ILE HG1x 1.0 1.8 3.8 159 123 A 20 ILE H A 20 ILE HG1y 1.0 1.8 3.8 160 124 A 20 ILE H A 20 ILE HG21 1.0 1.8 4.9 161 125 A 20 ILE H A 20 ILE HB 1.0 1.8 3.8 162 126 A 21 VAL H A 20 ILE HA 1.0 1.8 3.8 163 127 A 20 ILE H A 21 VAL H 1.0 1.8 3.8 164 128 A 21 VAL H A 20 ILE HA 1.0 1.8 5.0 165 129 A 21 VAL H A 21 VAL HG21 1.0 1.8 4.9 166 130 A 21 VAL H A 21 VAL HG11 1.0 1.8 4.9 167 131 A 21 VAL H A 21 VAL HB 1.0 1.8 2.9 168 132 A 21 VAL H A 22 GLN H 1.0 1.8 3.8 169 133 A 22 GLN H A 21 VAL HA 1.0 1.8 5.0 170 134 A 22 GLN H A 21 VAL HG11 1.0 1.8 5.5 171 135 A 22 GLN H A 21 VAL HG21 1.0 1.8 5.5 172 136 A 22 GLN H A 21 VAL HB 1.0 1.8 3.9 173 137 A 21 VAL HA A 24 ILE H 1.0 1.8 5.0 174 138 A 22 GLN H A 22 GLN HGx 1.0 1.8 5.4 175 138 A 22 GLN H A 22 GLN HGy 1.0 1.8 5.4 176 139 A 22 GLN H A 22 GLN HBx 1.0 1.8 4.4 177 139 A 22 GLN H A 22 GLN HBy 1.0 1.8 4.4 178 140 A 23 ARG H A 22 GLN HA 1.0 1.8 5.0 179 141 A 23 ARG H A 22 GLN HBx 1.0 1.8 5.0 180 141 A 23 ARG H A 22 GLN HBy 1.0 1.8 5.0 181 142 A 22 GLN H A 23 ARG H 1.0 1.8 2.9 182 143 A 24 ILE H A 22 GLN HA 1.0 1.8 5.0 183 144 A 23 ARG H A 23 ARG HGx 1.0 1.8 5.0 184 144 A 23 ARG H A 23 ARG HGy 1.0 1.8 5.0 185 145 A 23 ARG H A 23 ARG HBx 1.0 1.8 4.4 186 145 A 23 ARG H A 23 ARG HBy 1.0 1.8 4.4 187 146 A 24 ILE H A 23 ARG HGx 1.0 1.8 4.5 188 146 A 24 ILE H A 23 ARG HGy 1.0 1.8 4.5 189 147 A 23 ARG H A 24 ILE H 1.0 1.8 3.8 190 148 A 23 ARG HA A 26 ASP H 1.0 1.8 3.8 191 149 A 23 ARG HA A 27 PHE H 1.0 1.8 5.0 192 150 A 24 ILE H A 24 ILE HD11 1.0 1.8 5.3 193 151 A 24 ILE H A 24 ILE HG1x 1.0 1.8 4.4 194 151 A 24 ILE H A 24 ILE HG1y 1.0 1.8 4.4 195 152 A 24 ILE H A 24 ILE HG21 1.0 1.8 4.4 196 153 A 24 ILE H A 24 ILE HB 1.0 1.8 3.4 197 154 A 24 ILE HD11 A 25 LYS H 1.0 1.8 5.3 198 155 A 24 ILE H A 25 LYS H 1.0 1.8 3.8 199 156 A 24 ILE HG21 A 25 LYS H 1.0 1.8 4.9 200 157 A 24 ILE HB A 25 LYS H 1.0 1.8 3.4 201 158 A 27 PHE H A 24 ILE HA 1.0 1.8 3.8 202 159 A 25 LYS H A 25 LYS HGx 1.0 1.8 5.0 203 159 A 25 LYS H A 25 LYS HGy 1.0 1.8 5.0 204 160 A 25 LYS H A 25 LYS HDx 1.0 1.8 4.4 205 160 A 25 LYS H A 25 LYS HDy 1.0 1.8 4.4 206 161 A 25 LYS H A 25 LYS HBx 1.0 1.8 4.4 207 161 A 25 LYS H A 25 LYS HBy 1.0 1.8 4.4 208 162 A 26 ASP H A 25 LYS H 1.0 1.8 3.8 209 163 A 26 ASP H A 26 ASP HBx 1.0 1.8 2.9 210 164 A 26 ASP H A 26 ASP HBy 1.0 1.8 2.9 211 165 A 27 PHE H A 26 ASP HBy 1.0 1.8 3.8 212 166 A 26 ASP H A 27 PHE H 1.0 1.8 3.8 213 167 A 27 PHE H A 26 ASP HBx 1.0 1.8 3.8 214 168 A 26 ASP HA A 29 ARG H 1.0 1.8 3.8 215 169 A 27 PHE H A 27 PHE HD% 1.0 1.8 5.0 216 170 A 27 PHE H A 27 PHE HBx 1.0 1.8 4.4 217 170 A 27 PHE H A 27 PHE HBy 1.0 1.8 4.4 218 171 A 27 PHE HA A 28 LEU H 1.0 1.8 3.8 219 172 A 27 PHE HD% A 28 LEU H 1.0 1.8 5.0 220 173 A 27 PHE H A 28 LEU H 1.0 1.8 3.8 221 174 A 28 LEU H A 27 PHE HBx 1.0 1.8 5.0 222 174 A 27 PHE HBy A 28 LEU H 1.0 1.8 5.0 223 175 A 27 PHE HA A 30 ASN H 1.0 1.8 3.8 224 176 A 28 LEU H A 28 LEU HBx 1.0 1.8 3.8 225 177 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.8 226 178 A 28 LEU H A 28 LEU HG 1.0 1.8 3.4 227 179 A 28 LEU H A 28 LEU HD11 1.0 1.8 4.9 228 179 A 28 LEU H A 28 LEU HD21 1.0 1.8 4.9 229 180 A 29 ARG H A 28 LEU H 1.0 1.8 3.8 230 181 A 29 ARG H A 28 LEU HD11 1.0 1.8 5.5 231 181 A 29 ARG H A 28 LEU HD21 1.0 1.8 5.5 232 182 A 29 ARG H A 28 LEU HA 1.0 1.8 3.8 233 183 A 28 LEU HA A 31 LEU H 1.0 1.8 3.8 234 184 A 29 ARG H A 29 ARG HGx 1.0 1.8 4.5 235 184 A 29 ARG H A 29 ARG HGy 1.0 1.8 4.5 236 185 A 30 ASN H A 29 ARG HGx 1.0 1.8 4.5 237 185 A 30 ASN H A 29 ARG HGy 1.0 1.8 4.5 238 186 A 29 ARG H A 30 ASN H 1.0 1.8 3.8 239 187 A 30 ASN H A 29 ARG HA 1.0 1.8 3.8 240 188 A 30 ASN H A 29 ARG HBx 1.0 1.8 5.0 241 188 A 30 ASN H A 29 ARG HBy 1.0 1.8 5.0 242 189 A 30 ASN H A 30 ASN HBx 1.0 1.8 4.4 243 189 A 30 ASN H A 30 ASN HBy 1.0 1.8 4.4 244 190 A 31 LEU H A 30 ASN HBx 1.0 1.8 6.0 245 190 A 31 LEU H A 30 ASN HBy 1.0 1.8 6.0 246 191 A 30 ASN H A 31 LEU HA 1.0 1.8 5.0 247 192 A 31 LEU H A 30 ASN HA 1.0 1.8 3.8 248 193 A 30 ASN H A 31 LEU H 1.0 1.8 2.9 249 194 A 30 ASN H A 32 VAL HG11 1.0 1.8 7.0 250 194 A 30 ASN H A 32 VAL HG21 1.0 1.8 7.0 251 195 A 31 LEU H A 31 LEU HD11 1.0 1.8 5.8 252 195 A 31 LEU H A 31 LEU HD21 1.0 1.8 5.8 253 196 A 31 LEU H A 31 LEU HBx 1.0 1.8 2.9 254 197 A 31 LEU H A 31 LEU HBy 1.0 1.8 3.4 255 198 A 32 VAL H A 31 LEU HBy 1.0 1.8 6.0 256 198 A 31 LEU HBx A 32 VAL H 1.0 1.8 6.0 257 199 A 32 VAL H A 31 LEU HD11 1.0 1.8 7.0 258 199 A 31 LEU HD21 A 32 VAL H 1.0 1.8 7.0 259 200 A 31 LEU H A 32 VAL HG11 1.0 1.8 5.8 260 200 A 31 LEU H A 32 VAL HG21 1.0 1.8 5.8 261 201 A 31 LEU H A 32 VAL H 1.0 1.8 2.9 262 202 A 32 VAL H A 32 VAL HB 1.0 1.8 3.8 263 203 A 32 VAL H A 32 VAL HG11 1.0 1.8 5.8 264 203 A 32 VAL HG21 A 32 VAL H 1.0 1.8 5.8 265 204 A 32 VAL H A 33 PRO HDx 1.0 1.8 4.8 266 204 A 32 VAL H A 33 PRO HDy 1.0 1.8 4.8 267 205 A 34 ARG H A 32 VAL HG11 1.0 1.8 5.8 268 205 A 32 VAL HG21 A 34 ARG H 1.0 1.8 5.8 269 206 A 34 ARG H A 32 VAL HA 1.0 1.8 3.8 270 207 A 35 THR H A 32 VAL HG11 1.0 1.8 5.5 271 207 A 32 VAL HG21 A 35 THR H 1.0 1.8 5.5 272 208 A 34 ARG H A 33 PRO HGy 1.0 1.8 3.9 273 209 A 34 ARG H A 33 PRO HBx 1.0 1.8 5.0 274 209 A 34 ARG H A 33 PRO HBy 1.0 1.8 5.0 275 210 A 34 ARG H A 33 PRO HA 1.0 1.8 3.9 276 211 A 34 ARG H A 34 ARG HDx 1.0 1.8 4.8 277 211 A 34 ARG H A 34 ARG HDy 1.0 1.8 4.8 278 212 A 34 ARG H A 34 ARG HGx 1.0 1.8 4.4 279 212 A 34 ARG H A 34 ARG HGy 1.0 1.8 4.4 280 213 A 34 ARG H A 34 ARG HBx 1.0 1.8 3.7 281 213 A 34 ARG H A 34 ARG HBy 1.0 1.8 3.7 282 214 A 35 THR H A 34 ARG HGx 1.0 1.8 4.8 283 214 A 35 THR H A 34 ARG HGy 1.0 1.8 4.8 284 215 A 35 THR H A 34 ARG HBx 1.0 1.8 3.8 285 215 A 35 THR H A 34 ARG HBy 1.0 1.8 3.8 286 216 A 35 THR H A 34 ARG HA 1.0 1.8 3.4 287 217 A 35 THR H A 35 THR HB 1.0 1.8 3.4 288 218 A 35 THR H A 35 THR HG21 1.0 1.8 4.4 289 219 A 35 THR HG21 A 36 GLU H 1.0 1.8 4.5 290 220 A 35 THR HB A 36 GLU H 1.0 1.8 2.9 291 221 A 35 THR H A 36 GLU H 1.0 1.8 4.4 292 222 A 36 GLU H A 35 THR HA 1.0 1.8 2.9 293 223 A 36 GLU H A 36 GLU HGy 1.0 1.8 3.8 294 224 A 36 GLU H A 36 GLU HGx 1.0 1.8 3.8 295 225 A 36 GLU H A 36 GLU HBx 1.0 1.8 4.4 296 225 A 36 GLU H A 36 GLU HBy 1.0 1.8 4.4 297 226 A 37 SER H A 36 GLU HBx 1.0 1.8 6.0 298 226 A 36 GLU HBy A 37 SER H 1.0 1.8 6.0 299 227 A 36 GLU HGx A 37 SER H 1.0 1.8 5.0 300 228 A 37 SER H A 36 GLU HA 1.0 1.8 2.9 301 229 A 37 SER H A 37 SER HBx 1.0 1.8 4.8 302 229 A 37 SER H A 37 SER HBy 1.0 1.8 4.8 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 1 LEU O A 5 PHE N 1.0 2.2 3.3 2 2 A 5 PHE H A 1 LEU O 1.0 1.2 2.3 3 3 A 4 ASP O A 8 LYS N 1.0 2.2 3.3 4 4 A 8 LYS H A 4 ASP O 1.0 1.2 2.3 5 5 A 5 PHE O A 9 SER N 1.0 2.2 3.3 6 6 A 9 SER H A 5 PHE O 1.0 1.2 2.3 7 7 A 6 PHE O A 10 LYS N 1.0 2.2 3.3 8 8 A 10 LYS H A 6 PHE O 1.0 1.2 2.3 9 9 A 8 LYS O A 12 LYS N 1.0 2.2 3.3 10 10 A 12 LYS H A 8 LYS O 1.0 1.2 2.3 11 11 A 9 SER O A 13 ILE N 1.0 2.2 3.3 12 12 A 13 ILE H A 9 SER O 1.0 1.2 2.3 13 13 A 11 GLU O A 15 LYS N 1.0 2.2 3.3 14 14 A 15 LYS H A 11 GLU O 1.0 1.2 2.3 15 15 A 12 LYS O A 16 GLU N 1.0 2.2 3.3 16 16 A 16 GLU H A 12 LYS O 1.0 1.2 2.3 17 17 A 13 ILE O A 17 PHE N 1.0 2.2 3.3 18 18 A 17 PHE H A 13 ILE O 1.0 1.2 2.3 19 19 A 14 GLY O A 18 LYS N 1.0 2.2 3.5 20 20 A 18 LYS H A 14 GLY O 1.0 1.2 2.5 21 21 A 15 LYS O A 19 ARG N 1.0 2.2 3.5 22 22 A 19 ARG H A 15 LYS O 1.0 1.2 2.5 23 23 A 17 PHE O A 21 VAL N 1.0 2.2 3.5 24 24 A 21 VAL H A 17 PHE O 1.0 1.2 2.5 25 25 A 18 LYS O A 22 GLN N 1.0 2.2 3.5 26 26 A 22 GLN H A 18 LYS O 1.0 1.2 2.5 27 27 A 19 ARG O A 23 ARG N 1.0 2.2 3.8 28 28 A 23 ARG H A 19 ARG O 1.0 1.2 2.8 29 29 A 20 ILE O A 24 ILE N 1.0 2.2 3.8 30 30 A 24 ILE H A 20 ILE O 1.0 1.2 2.8 31 31 A 23 ARG O A 27 PHE N 1.0 2.2 3.3 32 32 A 27 PHE H A 23 ARG O 1.0 1.2 2.3 33 33 A 24 ILE O A 28 LEU N 1.0 2.2 3.3 34 34 A 28 LEU H A 24 ILE O 1.0 1.2 2.3 35 35 A 26 ASP O A 30 ASN N 1.0 2.2 3.3 36 36 A 30 ASN H A 26 ASP O 1.0 1.2 2.3 37 37 A 27 PHE O A 31 LEU N 1.0 2.2 3.3 38 38 A 31 LEU H A 27 PHE O 1.0 1.2 2.3 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 A 1 LEU C A 2 LEU N A 2 LEU CA A 2 LEU C 1.0 -77.0 -57.0 PHI 2 2 A 2 LEU N A 2 LEU CA A 2 LEU C A 3 GLY N 1.0 -44.0 -24.0 PSI 3 3 A 2 LEU C A 3 GLY N A 3 GLY CA A 3 GLY C 1.0 -72.0 -52.0 PHI 4 4 A 3 GLY N A 3 GLY CA A 3 GLY C A 4 ASP N 1.0 -53.0 -33.0 PSI 5 5 A 3 GLY C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -72.0 -52.0 PHI 6 6 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 PHE N 1.0 -56.0 -26.0 PSI 7 7 A 4 ASP C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -77.0 -57.0 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 PHE N 1.0 -49.0 -29.0 PSI 9 9 A 5 PHE C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -74.0 -54.0 PHI 10 10 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 ARG N 1.0 -54.0 -34.0 PSI 11 11 A 6 PHE C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -73.0 -53.0 PHI 12 12 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 LYS N 1.0 -51.0 -31.0 PSI 13 13 A 7 ARG C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -74.0 -54.0 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 SER N 1.0 -48.0 -28.0 PSI 15 15 A 8 LYS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -76.0 -56.0 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 LYS N 1.0 -48.0 -28.0 PSI 17 17 A 9 SER C A 10 LYS N A 10 LYS CA A 10 LYS C 1.0 -67.0 -47.0 PHI 18 18 A 10 LYS N A 10 LYS CA A 10 LYS C A 11 GLU N 1.0 -57.0 -37.0 PSI 19 19 A 10 LYS C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -70.0 -50.0 PHI 20 20 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LYS N 1.0 -59.0 -29.0 PSI 21 21 A 11 GLU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -77.0 -57.0 PHI 22 22 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 ILE N 1.0 -49.0 -29.0 PSI 23 23 A 12 LYS C A 13 ILE N A 13 ILE CA A 13 ILE C 1.0 -76.0 -56.0 PHI 24 24 A 13 ILE N A 13 ILE CA A 13 ILE C A 14 GLY N 1.0 -51.0 -21.0 PSI 25 25 A 13 ILE C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 -76.0 -46.0 PHI 26 26 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 LYS N 1.0 -54.0 -34.0 PSI 27 27 A 14 GLY C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -76.0 -46.0 PHI 28 28 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 GLU N 1.0 -49.0 -29.0 PSI 29 29 A 15 LYS C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -84.0 -54.0 PHI 30 30 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 PHE N 1.0 -51.0 -31.0 PSI 31 31 A 16 GLU C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -70.0 -50.0 PHI 32 32 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 LYS N 1.0 -54.0 -34.0 PSI 33 33 A 17 PHE C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -71.0 -51.0 PHI 34 34 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ARG N 1.0 -49.0 -29.0 PSI 35 35 A 18 LYS C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -72.0 -52.0 PHI 36 36 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ILE N 1.0 -53.0 -33.0 PSI 37 37 A 19 ARG C A 20 ILE N A 20 ILE CA A 20 ILE C 1.0 -75.0 -55.0 PHI 38 38 A 20 ILE N A 20 ILE CA A 20 ILE C A 21 VAL N 1.0 -54.0 -34.0 PSI 39 39 A 20 ILE C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -73.0 -53.0 PHI 40 40 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 GLN N 1.0 -53.0 -33.0 PSI 41 41 A 21 VAL C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -70.0 -50.0 PHI 42 42 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 ARG N 1.0 -51.0 -31.0 PSI 43 43 A 22 GLN C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -73.0 -53.0 PHI 44 44 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ILE N 1.0 -55.0 -35.0 PSI 45 45 A 23 ARG C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -76.0 -56.0 PHI 46 46 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 LYS N 1.0 -53.0 -33.0 PSI 47 47 A 24 ILE C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -70.0 -50.0 PHI 48 48 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 ASP N 1.0 -53.0 -33.0 PSI 49 49 A 25 LYS C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -74.0 -54.0 PHI 50 50 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 PHE N 1.0 -49.0 -29.0 PSI 51 51 A 26 ASP C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -73.0 -53.0 PHI 52 52 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 LEU N 1.0 -53.0 -33.0 PSI 53 53 A 27 PHE C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -69.0 -49.0 PHI 54 54 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ARG N 1.0 -51.0 -31.0 PSI 55 55 A 28 LEU C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -77.0 -57.0 PHI 56 56 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ASN N 1.0 -42.0 -22.0 PSI 57 57 A 29 ARG C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -115.0 -55.0 PHI 58 58 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 LEU N 1.0 -54.0 6.0 PSI stop_ save_