data_nef_c19619_2mh5 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 2MH5 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 1 VAL C 1 2 DBU N 1 2 DBU C 1 3 DAL N 1 3 DAL C 1 4 5CW N 1 4 5CW C 1 5 DHA N 1 5 DHA C 1 6 LEU N 1 12 THR C 1 13 DAL N 1 17 GLY C 1 18 DAL N 1 18 DAL C 1 19 ASN N 1 20 CYS C 1 21 DAL N 1 21 DAL C 1 22 PHE N 1 18 DAL CB 1 23 CYS SG 1 13 DAL CB 1 20 CYS SG 1 21 DAL CB 1 24 TEE SG 1 3 DAL CB 1 7 CYS SG 1 8 DBB CB 1 11 CYS SG 1 8 DBB C 1 9 PRO N 1 13 DAL C 1 14 HYP N 1 14 HYP C 1 15 GLY N 1 7 CYS C 1 8 DBB N 1 23 CYS C 1 24 TEE N 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 VAL start . . 2 A 2 DBU middle . . 3 A 3 DAL middle . . 4 A 4 5CW middle . . 5 A 5 DHA middle . . 6 A 6 LEU middle . . 7 A 7 CYS middle -HG . 8 A 8 DBB middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 CYS middle -HG . 12 A 12 THR middle . . 13 A 13 DAL middle . . 14 A 14 HYP middle . . 15 A 15 GLY middle . false 16 A 16 GLY middle . false 17 A 17 GLY middle . false 18 A 18 DAL middle . . 19 A 19 ASN middle . . 20 A 20 CYS middle -HG . 21 A 21 DAL middle . . 22 A 22 PHE middle . . 23 A 23 CYS middle -HG . 24 A 24 TEE end . . 25 B 1 DPV . . . 26 B 2 DPV . . . 27 B 3 DPV . . . 28 B 4 DPV . . . 29 B 5 DPV . . . 30 B 6 DPV . . . 31 B 7 DPV . . . 32 B 8 DPV . . . 33 B 9 DPV . . . 34 B 10 DPV . . . 35 B 11 DPV . . . 36 B 12 DPV . . . 37 B 13 DPV . . . 38 B 14 DPV . . . 39 B 15 DPV . . . 40 B 16 DPV . . . 41 B 17 DPV . . . 42 B 18 DPV . . . 43 B 19 DPV . . . 44 B 20 DPV . . . 45 B 21 DPV . . . 46 B 22 DPV . . . 47 B 23 DPV . . . 48 B 24 DPV . . . 49 B 25 DPV . . . 50 B 26 DPV . . . 51 B 27 DPV . . . 52 B 28 DPV . . . 53 B 29 DPV . . . 54 B 30 DPV . . . 55 B 31 DPV . . . 56 B 32 DPV . . . 57 B 33 DPV . . . 58 B 34 DPV . . . 59 B 35 DPV . . . 60 B 36 DPV . . . 61 B 37 DPV . . . 62 B 38 DPV . . . 63 B 39 DPV . . . 64 B 40 DPV . . . 65 B 41 DPV . . . 66 B 42 DPV . . . 67 B 43 DPV . . . 68 B 44 DPV . . . 69 B 45 DPV . . . 70 B 46 DPV . . . 71 B 47 DPV . . . 72 B 48 DPV . . . 73 B 49 DPV . . . 74 B 50 DPV . . . 75 B 51 DPV . . . 76 B 52 DPV . . . 77 B 53 DPV . . . 78 B 54 DPV . . . 79 B 55 DPV . . . 80 B 56 DPV . . . 81 B 57 DPV . . . 82 B 58 DPV . . . 83 B 59 DPV . . . 84 B 60 DPV . . . 85 B 61 DPV . . . 86 B 62 DPV . . . 87 B 63 DPV . . . 88 B 64 DPV . . . 89 B 65 DPV . . . 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 VAL HA H 1 3.822 0.01 A 1 VAL HB H 1 2.344 0.01 A 1 VAL HGx% H 1 1.099 0.01 A 1 VAL HGy% H 1 1.149 0.01 A 1 VAL CA C 13 61.908 0.1 A 1 VAL CGy C 13 20.796 0.1 A 1 VAL CGx C 13 20.543 0.1 A 2 DBU HB H 1 6.407 0.01 A 2 DBU HG% H 1 1.685 0.01 A 2 DBU CB C 13 136.577 0.1 A 2 DBU CG C 13 15.489 0.1 A 3 DAL H H 1 7.717 0.01 A 3 DAL HA H 1 4.592 0.01 A 3 DAL HB2 H 1 3.205 0.01 A 3 DAL HB3 H 1 2.956 0.01 A 4 5CW H H 1 8.887 0.01 A 4 5CW HA H 1 4.511 0.01 A 4 5CW HBx H 1 3.207 0.01 A 4 5CW HBy H 1 3.207 0.01 A 4 5CW HD1 H 1 7.218 0.01 A 4 5CW HE1 H 1 10.737 0.01 A 4 5CW HE3 H 1 7.254 0.01 A 4 5CW HH2 H 1 6.997 0.01 A 4 5CW HZ2 H 1 7.435 0.01 A 4 5CW CA C 13 59.714 0.1 A 4 5CW CB C 13 29.585 0.1 A 4 5CW CE3 C 13 119.679 0.1 A 4 5CW CH2 C 13 123.683 0.1 A 4 5CW CZ2 C 13 115.311 0.1 A 5 DHA H H 1 8.555 0.01 A 5 DHA HBx H 1 5.651 0.01 A 5 DHA HBy H 1 6.410 0.01 A 5 DHA CB C 13 156.855 0.1 A 6 LEU H H 1 9.097 0.01 A 6 LEU HA H 1 4.035 0.01 A 6 LEU HBy H 1 1.822 0.01 A 6 LEU HBx H 1 1.709 0.01 A 6 LEU HDx% H 1 0.987 0.01 A 6 LEU HDy% H 1 1.025 0.01 A 6 LEU HG H 1 1.622 0.01 A 6 LEU CB C 13 41.552 0.1 A 6 LEU CDx C 13 24.100 0.1 A 6 LEU CDy C 13 24.654 0.1 A 7 CYS H H 1 7.915 0.01 A 7 CYS HA H 1 4.397 0.01 A 7 CYS HBy H 1 3.121 0.01 A 7 CYS HBx H 1 3.023 0.01 A 7 CYS CB C 13 38.745 0.1 A 8 DBB x H 1 8.348 0.01 A 8 DBB HA H 1 4.395 0.01 A 8 DBB HBx H 1 3.015 0.01 A 8 DBB HG2 H 1 3.176 0.01 A 8 DBB HG3 H 1 3.284 0.01 A 8 DBB CG C 13 36.724 0.1 A 9 PRO HA H 1 4.274 0.01 A 9 PRO HB2 H 1 2.368 0.01 A 9 PRO HB3 H 1 2.368 0.01 A 9 PRO HDy H 1 3.496 0.01 A 9 PRO HDx H 1 2.892 0.01 A 9 PRO HGy H 1 1.980 0.01 A 9 PRO HGx H 1 1.846 0.01 A 9 PRO CA C 13 66.580 0.1 A 9 PRO CD C 13 50.367 0.1 A 9 PRO CG C 13 28.220 0.1 A 10 GLY H H 1 8.362 0.01 A 10 GLY HAx H 1 3.568 0.01 A 10 GLY HAy H 1 4.341 0.01 A 11 CYS H H 1 7.637 0.01 A 11 CYS HA H 1 4.021 0.01 A 11 CYS HBx H 1 2.741 0.01 A 11 CYS HBy H 1 3.522 0.01 A 11 CYS CB C 13 38.733 0.1 A 12 THR H H 1 8.264 0.01 A 12 THR HA H 1 4.242 0.01 A 12 THR HB H 1 4.406 0.01 A 12 THR HG2% H 1 1.280 0.01 A 12 THR CA C 13 61.625 0.1 A 12 THR CB C 13 70.471 0.1 A 12 THR CG2 C 13 21.630 0.1 A 13 DAL H H 1 9.036 0.01 A 13 DAL HA H 1 4.565 0.01 A 13 DAL HB2 H 1 3.226 0.01 A 13 DAL CA C 13 56.174 0.1 A 14 HYP H H 1 4.549 0.01 A 14 HYP HBx H 1 1.278 0.01 A 14 HYP HBy H 1 1.278 0.01 A 14 HYP HD H 1 3.660 0.01 A 14 HYP HG H 1 3.879 0.01 A 14 HYP HG2 H 1 2.403 0.01 A 14 HYP HG3 H 1 1.970 0.01 A 14 HYP C2 C 13 63.289 0.1 A 14 HYP C4 C 13 39.151 0.1 A 15 GLY H H 1 7.733 0.01 A 15 GLY HAx H 1 3.727 0.01 A 15 GLY HAy H 1 4.125 0.01 A 15 GLY CA C 13 44.942 0.1 A 16 GLY H H 1 8.309 0.01 A 16 GLY HAx H 1 3.572 0.01 A 16 GLY HAy H 1 4.330 0.01 A 16 GLY CA C 13 44.938 0.1 A 17 GLY H H 1 8.016 0.01 A 17 GLY HAx H 1 3.872 0.01 A 17 GLY HAy H 1 4.138 0.01 A 17 GLY CA C 13 44.935 0.1 A 18 DAL H H 1 8.883 0.01 A 18 DAL HA H 1 4.631 0.01 A 18 DAL HB% H 1 3.219 0.01 A 19 ASN HA H 1 4.631 0.01 A 19 ASN HBx H 1 2.890 0.01 A 19 ASN HBy H 1 2.973 0.01 A 19 ASN HD2x H 1 6.782 0.01 A 19 ASN HD2y H 1 7.479 0.01 A 19 ASN CB C 13 36.807 0.1 A 20 CYS H H 1 8.765 0.01 A 20 CYS HA H 1 4.279 0.01 A 20 CYS HBy H 1 3.776 0.01 A 20 CYS HBx H 1 3.061 0.01 A 20 CYS CA C 13 57.590 0.1 A 21 DAL H H 1 7.992 0.01 A 21 DAL HA H 1 5.006 0.01 A 21 DAL HB2 H 1 3.101 0.01 A 21 DAL HB3 H 1 3.002 0.01 A 22 PHE H H 1 8.570 0.01 A 22 PHE HA H 1 4.161 0.01 A 22 PHE HBx H 1 3.034 0.01 A 22 PHE HBy H 1 3.331 0.01 A 22 PHE HD1 H 1 7.278 0.01 A 22 PHE HD2 H 1 7.278 0.01 A 22 PHE HE1 H 1 7.350 0.01 A 22 PHE HE2 H 1 7.350 0.01 A 22 PHE CA C 13 62.191 0.1 A 22 PHE CB C 13 39.619 0.1 A 22 PHE CD1 C 13 131.537 0.1 A 22 PHE CD2 C 13 131.537 0.1 A 22 PHE CE1 C 13 131.179 0.1 A 22 PHE CE2 C 13 131.179 0.1 A 23 CYS H H 1 9.312 0.01 A 23 CYS HA H 1 4.030 0.01 A 23 CYS HBx H 1 2.587 0.01 A 23 CYS HBy H 1 3.430 0.01 A 23 CYS CB C 13 33.962 0.1 A 24 TEE HA H 1 6.964 0.01 A 24 TEE HB2 H 1 5.725 0.01 A 24 TEE HNx H 1 8.570 0.01 A 24 TEE CA C 13 132.158 0.1 A 24 TEE CB C 13 157.063 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 22 PHE HA A 22 PHE HBx 1.0 1.0 2.40 2 1 A 22 PHE HA A 22 PHE HBy 1.0 1.0 2.40 3 2 A 22 PHE HA A 22 PHE HBx 1.0 1.0 2.40 4 2 A 22 PHE HA A 22 PHE HBy 1.0 1.0 2.40 5 3 A 6 LEU HA A 6 LEU HBy 1.0 1.0 2.40 6 3 A 6 LEU HA A 6 LEU HBx 1.0 1.0 2.40 7 4 A 6 LEU HA A 6 LEU HBy 1.0 1.0 2.40 8 4 A 6 LEU HA A 6 LEU HBx 1.0 1.0 2.40 9 5 A 1 VAL HA A 1 VAL HB 1.0 1.0 2.90 10 6 A 22 PHE HE% A 9 PRO HB2 1.0 1.0 8.50 11 6 A 9 PRO HB3 A 22 PHE HE% 1.0 1.0 8.50 12 7 A 22 PHE HD% A 9 PRO HB2 1.0 1.0 8.50 13 7 A 9 PRO HB3 A 22 PHE HD% 1.0 1.0 8.50 14 8 A 22 PHE HA A 22 PHE HE% 1.0 1.0 6.29 15 9 A 22 PHE HA A 22 PHE HD% 1.0 1.0 5.45 16 10 A 1 VAL HA A 1 VAL HGx% 1.0 1.0 3.80 17 10 A 1 VAL HA A 1 VAL HGy% 1.0 1.0 3.80 18 11 A 6 LEU HA A 6 LEU HDx% 1.0 1.0 3.43 19 11 A 6 LEU HA A 6 LEU HDy% 1.0 1.0 3.43 20 12 A 6 LEU HA A 6 LEU HDx% 1.0 1.0 3.43 21 12 A 6 LEU HA A 6 LEU HDy% 1.0 1.0 3.43 22 13 A 1 VAL HA A 1 VAL HGx% 1.0 1.0 3.80 23 13 A 1 VAL HA A 1 VAL HGy% 1.0 1.0 3.80 24 14 A 12 THR HA A 12 THR HG2% 1.0 1.0 3.43 25 15 A 22 PHE HD% A 9 PRO HGy 1.0 1.0 5.15 26 15 A 22 PHE HD% A 9 PRO HGx 1.0 1.0 5.15 27 16 A 22 PHE HE% A 9 PRO HGy 1.0 1.0 5.85 28 16 A 22 PHE HE% A 9 PRO HGx 1.0 1.0 5.85 29 17 A 22 PHE HD% A 9 PRO HDy 1.0 1.0 5.84 30 17 A 22 PHE HD% A 9 PRO HDx 1.0 1.0 5.84 31 18 A 22 PHE HE% A 9 PRO HDy 1.0 1.0 5.65 32 18 A 22 PHE HE% A 9 PRO HDx 1.0 1.0 5.65 33 19 A 11 CYS HA A 11 CYS HBx 1.0 1.0 2.31 34 19 A 11 CYS HA A 11 CYS HBy 1.0 1.0 2.31 35 20 A 19 ASN HA A 19 ASN HD2y 1.0 1.0 3.88 36 20 A 19 ASN HA A 19 ASN HD2x 1.0 1.0 3.88 37 21 A 19 ASN HBx A 19 ASN HD2y 1.0 1.0 3.20 38 21 A 19 ASN HBy A 19 ASN HD2y 1.0 1.0 3.20 39 21 A 19 ASN HD2x A 19 ASN HBx 1.0 1.0 3.20 40 21 A 19 ASN HD2x A 19 ASN HBy 1.0 1.0 3.20 41 22 A 20 CYS HA A 20 CYS HBy 1.0 1.0 2.31 42 22 A 20 CYS HA A 20 CYS HBx 1.0 1.0 2.31 43 23 A 23 CYS HA A 23 CYS HBx 1.0 1.0 2.34 44 23 A 23 CYS HA A 23 CYS HBy 1.0 1.0 2.34 45 24 A 23 CYS HA A 23 CYS HBx 1.0 1.0 2.34 46 24 A 23 CYS HA A 23 CYS HBy 1.0 1.0 2.34 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 pre _nef_distance_restraint_list.potential_type undefined 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 VAL N A 1 VAL CA A 1 VAL C A 2 DBU N 1.0 -85.0 205.0 PSI 2 2 A 5 DHA C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -315.0 -45.0 PHI 3 3 A 5 DHA C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -185.0 55.0 PHI 4 4 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 CYS N 1.0 -75.0 205.0 PSI 5 5 A 6 LEU C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -315.0 -45.0 PHI 6 6 A 6 LEU C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -185.0 75.0 PHI 7 7 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLY N 1.0 -305.0 5.0 PSI 8 8 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLY N 1.0 -85.0 205.0 PSI 9 9 A 9 PRO C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -315.0 -45.0 PHI 10 10 A 10 GLY C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -315.0 -45.0 PHI 11 11 A 10 GLY C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -185.0 75.0 PHI 12 12 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 THR N 1.0 -95.0 205.0 PSI 13 13 A 11 CYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -315.0 -45.0 PHI 14 14 A 11 CYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -185.0 75.0 PHI 15 15 A 12 THR N A 12 THR CA A 12 THR C A 13 DAL N 1.0 -95.0 215.0 PSI 16 16 A 14 HYP N A 14 HYP CA A 14 HYP C A 15 GLY N 1.0 -305.0 5.0 PSI 17 17 A 14 HYP N A 14 HYP CA A 14 HYP C A 15 GLY N 1.0 -85.0 205.0 PSI 18 18 A 14 HYP C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -315.0 -45.0 PHI 19 19 A 15 GLY C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -315.0 -45.0 PHI 20 20 A 16 GLY C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -315.0 -45.0 PHI 21 21 A 18 DAL C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -315.0 -45.0 PHI stop_ save_