data_nef_c30073_5jpl 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 5JPL stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 13 CYS SG 1 17 CYS SG 1 1 GLY N 1 8 GLU CD stop_ 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 GLY start -H2 false 2 A 2 ARG middle . . 3 A 3 PRO middle . false 4 A 4 ASN middle . . 5 A 5 TRP middle . . 6 A 6 GLY middle . false 7 A 7 PHE middle . . 8 A 8 GLU middle . . 9 A 9 ASN middle . . 10 A 10 ASP middle . . 11 A 11 TRP middle . . 12 A 12 SER middle . . 13 A 13 CYS middle -HG . 14 A 14 VAL middle . . 15 A 15 ARG middle . . 16 A 16 VAL middle . . 17 A 17 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 GLY H H 1 9.386 0.006 A 1 GLY HAx H 1 3.647 0.003 A 1 GLY HAy H 1 4.505 0.001 A 1 GLY CA C 13 42.6 . A 2 ARG H H 1 9.236 0.003 A 2 ARG HA H 1 4.855 . A 2 ARG HBx H 1 1.87 . A 2 ARG HBy H 1 1.87 . A 2 ARG HDx H 1 3.167 . A 2 ARG HDy H 1 3.277 0.002 A 2 ARG HGx H 1 1.692 . A 2 ARG HGy H 1 1.805 . A 2 ARG CA C 13 49.6 . A 3 PRO HA H 1 4.369 0.002 A 3 PRO HBx H 1 1.97 . A 3 PRO HBy H 1 2.104 0.001 A 3 PRO HDx H 1 3.492 0.002 A 3 PRO HDy H 1 3.635 0.004 A 3 PRO HGx H 1 1.985 0.001 A 3 PRO HGy H 1 1.985 0.001 A 3 PRO CA C 13 61.2 . A 4 ASN H H 1 8.22 . A 4 ASN HA H 1 4.129 0.006 A 4 ASN HBx H 1 2.689 . A 4 ASN HBy H 1 2.689 . A 4 ASN HD2y H 1 7.522 0.002 A 4 ASN HD2x H 1 6.855 0.001 A 4 ASN CA C 13 53.6 . A 5 TRP H H 1 8.252 . A 5 TRP HA H 1 5.138 0.001 A 5 TRP HBx H 1 3.068 . A 5 TRP HBy H 1 3.295 0.009 A 5 TRP HD1 H 1 7.306 . A 5 TRP HE1 H 1 10.116 0.001 A 5 TRP HE3 H 1 7.88 . A 5 TRP HH2 H 1 7.052 . A 5 TRP HZ2 H 1 7.293 0.002 A 5 TRP HZ3 H 1 6.98 . A 5 TRP CA C 13 54.5 . A 6 GLY H H 1 8.146 0.008 A 6 GLY HAx H 1 3.274 0.003 A 6 GLY HAy H 1 3.888 0.008 A 6 GLY CA C 13 45 . A 7 PHE H H 1 7.45 0.001 A 7 PHE HA H 1 4.897 0.002 A 7 PHE HBx H 1 2.592 0 A 7 PHE HBy H 1 3.632 0.002 A 7 PHE HDx H 1 7.312 0.003 A 7 PHE HDy H 1 7.312 0.003 A 7 PHE HEx H 1 7.393 . A 7 PHE HEy H 1 7.393 . A 7 PHE HZ H 1 7.31 . A 7 PHE CA C 13 54.5 . A 8 GLU H H 1 8.934 0.003 A 8 GLU HA H 1 4.341 0.001 A 8 GLU HBx H 1 2.068 0.004 A 8 GLU HBy H 1 2.462 0.001 A 8 GLU HGx H 1 1.963 0.001 A 8 GLU HGy H 1 2.183 0 A 8 GLU CA C 13 56.3 . A 9 ASN H H 1 8.204 0.001 A 9 ASN HA H 1 4.137 0.003 A 9 ASN HBx H 1 3.224 0.005 A 9 ASN HBy H 1 3.304 0.019 A 9 ASN HD2y H 1 7.87 0.004 A 9 ASN HD2x H 1 6.946 0.004 A 9 ASN CA C 13 51.1 . A 10 ASP H H 1 7.955 0.005 A 10 ASP HA H 1 4.466 0.002 A 10 ASP HBx H 1 2.327 0 A 10 ASP HBy H 1 3.102 0 A 10 ASP CA C 13 49.7 . A 11 TRP H H 1 7.97 0 A 11 TRP HA H 1 4.694 0 A 11 TRP HBx H 1 3.872 0.005 A 11 TRP HBy H 1 3.872 0.005 A 11 TRP HD1 H 1 7.109 . A 11 TRP HE1 H 1 10.058 0.001 A 11 TRP HE3 H 1 7.808 0.001 A 11 TRP HH2 H 1 7.135 . A 11 TRP HZ2 H 1 7.383 0.003 A 11 TRP HZ3 H 1 7.02 . A 11 TRP CA C 13 56.3 . A 12 SER H H 1 7.428 0 A 12 SER HA H 1 5.407 0.001 A 12 SER HBx H 1 3.644 . A 12 SER HBy H 1 4.966 0.002 A 12 SER CA C 13 56 . A 13 CYS H H 1 8.134 0.002 A 13 CYS HA H 1 4.282 0.003 A 13 CYS HBx H 1 2.89 0.001 A 13 CYS HBy H 1 3.025 0.004 A 13 CYS CA C 13 54.5 . A 14 VAL H H 1 8.506 0.001 A 14 VAL HA H 1 3.932 0.002 A 14 VAL HB H 1 2.245 0.002 A 14 VAL HGx% H 1 1.069 0.001 A 14 VAL HGy% H 1 1.004 0.003 A 14 VAL CA C 13 60.5 . A 15 ARG HA H 1 3.949 0 A 15 ARG HBx H 1 2.026 0.002 A 15 ARG HBy H 1 2.111 0.001 A 15 ARG HDx H 1 3.245 . A 15 ARG HDy H 1 3.245 . A 15 ARG HGx H 1 1.647 . A 15 ARG HGy H 1 1.689 . A 15 ARG CA C 13 58.7 . A 16 VAL HA H 1 4.165 0.001 A 16 VAL HB H 1 2.41 0 A 16 VAL HGx% H 1 1.038 0.004 A 16 VAL HGy% H 1 1.013 0.002 A 16 VAL CA C 13 60.3 . A 17 CYS H H 1 7.244 0.002 A 17 CYS HA H 1 4.597 . A 17 CYS HBx H 1 2.837 0.001 A 17 CYS HBy H 1 3.468 0.001 A 17 CYS CA C 13 55 . 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 1 GLY HAx A 2 ARG H 1.0 1.8 3.5 2 2 A 4 ASN HA A 5 TRP H 1.0 1.8 3.5 3 3 A 5 TRP HA A 6 GLY H 1.0 1.8 3.5 4 4 A 5 TRP HA A 9 ASN HD2y 1.0 1.8 4.5 5 5 A 5 TRP HA A 12 SER HA 1.0 1.8 5.5 6 6 A 6 GLY HAy A 7 PHE H 1.0 1.8 3.5 7 7 A 6 GLY HAy A 13 CYS HA 1.0 1.8 3.5 8 8 A 13 CYS HA A 6 GLY HAx 1.0 1.8 3.5 9 9 A 8 GLU HBy A 14 VAL HA 1.0 1.8 3.5 10 10 A 8 GLU HGy A 12 SER H 1.0 1.8 3.5 11 11 A 14 VAL HA A 8 GLU HGx 1.0 1.8 3.5 12 12 A 9 ASN HD2y A 11 TRP HBx 1.0 1.8 3.5 13 12 A 9 ASN HD2y A 11 TRP HBy 1.0 1.8 3.5 14 13 A 12 SER HA A 13 CYS H 1.0 1.8 3.5 15 14 A 13 CYS H A 12 SER HBy 1.0 1.8 3.5 16 15 A 13 CYS HA A 14 VAL H 1.0 1.8 3.5 17 16 A 8 GLU HBy A 14 VAL HGx% 1.0 1.8 3.5 18 17 A 15 ARG HBy A 16 VAL HGy% 1.0 1.8 3.5 19 18 A 2 ARG H A 1 GLY HAy 1.0 1.8 4.5 20 19 A 14 VAL H A 2 ARG HDy 1.0 1.8 4.5 21 20 A 2 ARG H A 3 PRO HDx 1.0 1.8 4.5 22 21 A 6 GLY HAy A 7 PHE HD% 1.0 1.8 4.5 23 22 A 6 GLY HAx A 7 PHE HBy 1.0 1.8 6.0 24 23 A 7 PHE H A 6 GLY HAx 1.0 1.8 4.5 25 24 A 7 PHE HA A 8 GLU H 1.0 1.8 4.5 26 25 A 7 PHE H A 8 GLU H 1.0 1.8 4.5 27 26 A 8 GLU HBx A 10 ASP H 1.0 1.8 4.5 28 27 A 12 SER H A 8 GLU HBx 1.0 1.8 5.0 29 28 A 8 GLU HGy A 10 ASP H 1.0 1.8 4.5 30 29 A 6 GLY H A 12 SER HBx 1.0 1.8 4.5 31 30 A 12 SER H A 11 TRP H 1.0 1.8 4.5 32 31 A 7 PHE H A 13 CYS HA 1.0 1.8 4.5 33 32 A 14 VAL H A 13 CYS HBx 1.0 1.8 4.5 34 33 A 2 ARG H A 13 CYS H 1.0 1.8 4.5 35 34 A 14 VAL HGx% A 7 PHE HBx 1.0 1.8 4.5 36 35 A 7 PHE H A 14 VAL HGx% 1.0 1.8 4.5 37 36 A 14 VAL HGx% A 8 GLU HA 1.0 1.8 4.5 38 37 A 8 GLU HGx A 14 VAL HGx% 1.0 1.8 4.5 39 38 A 14 VAL HGx% A 8 GLU H 1.0 1.8 4.5 40 39 A 17 CYS H A 16 VAL HGy% 1.0 1.8 4.5 41 39 A 16 VAL HGx% A 17 CYS H 1.0 1.8 4.5 42 40 A 15 ARG HBx A 16 VAL HGy% 1.0 1.8 4.5 43 41 A 15 ARG HGy A 16 VAL HGy% 1.0 1.8 4.5 44 42 A 15 ARG HGx A 16 VAL HGy% 1.0 1.8 4.5 45 43 A 2 ARG HDy A 8 GLU H 1.0 1.8 6.0 46 44 A 12 SER HA A 6 GLY HAx 1.0 1.8 6.0 47 45 A 7 PHE HBy A 8 GLU H 1.0 1.8 6.0 48 46 A 2 ARG H A 8 GLU HBy 1.0 1.8 6.0 49 47 A 9 ASN HA A 9 ASN HD2x 1.0 1.8 6.0 50 48 A 9 ASN HBx A 9 ASN H 1.0 1.8 6.0 51 49 A 2 ARG H A 13 CYS HBx 1.0 1.8 6.0 52 50 A 7 PHE H A 14 VAL HGy% 1.0 1.8 6.0 53 51 A 8 GLU H A 14 VAL HGy% 1.0 1.8 6.0 54 52 A 2 ARG HDy A 8 GLU H 1.0 1.8 6.0 55 53 A 3 PRO HDx A 3 PRO HA 1.0 1.8 6.0 56 54 A 12 SER HA A 6 GLY HAx 1.0 1.8 6.0 57 55 A 7 PHE HBy A 8 GLU H 1.0 1.8 6.0 58 56 A 2 ARG H A 8 GLU HBy 1.0 1.8 6.0 59 57 A 2 ARG H A 13 CYS HBx 1.0 1.8 6.0 60 58 A 7 PHE H A 14 VAL HGy% 1.0 1.8 6.0 61 59 A 8 GLU H A 14 VAL HGy% 1.0 1.8 6.0 stop_ save_