data_nef_c34066_5mf8 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34065 PDB 5MF8 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 ACE C 1 2 AIB N 1 2 AIB C 1 3 ASN N 1 5 ILE C 1 6 AIB N 1 6 AIB C 1 7 PRO N 1 9 LEU C 1 10 AIB N 1 10 AIB C 1 11 PRO N 1 11 PRO C 1 12 DCL 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 ACE start . . 2 A 2 AIB middle -H2,-OXT . 3 A 3 ASN middle -H2 . 4 A 4 ILE middle . . 5 A 5 ILE middle -OXT . 6 A 6 AIB middle -H2,-OXT . 7 A 7 PRO middle -H false 8 A 8 LEU middle . . 9 A 9 LEU middle -OXT . 10 A 10 AIB middle -H2,-OXT . 11 A 11 PRO middle -H,-OXT false 12 A 12 DCL end -HN2 . 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 ACE H% H 1 2.043 0.005 A 1 ACE CH3 C 13 25.317 0.000 A 2 AIB H H 1 7.229 0.006 A 2 AIB HB1% H 1 1.454 0.004 A 2 AIB HB2% H 1 1.488 0.003 A 2 AIB CB1 C 13 28.663 0.000 A 2 AIB CB2 C 13 26.360 0.000 A 3 ASN H H 1 7.963 0.003 A 3 ASN HA H 1 4.392 0.004 A 3 ASN HBx H 1 2.767 0.001 A 3 ASN HBy H 1 2.797 0.005 A 3 ASN HD2x H 1 6.059 0.007 A 3 ASN HD2y H 1 7.033 0.005 A 3 ASN CA C 13 56.303 0.000 A 3 ASN CB C 13 38.348 0.000 A 4 ILE H H 1 7.878 0.004 A 4 ILE HA H 1 4.082 0.005 A 4 ILE HB H 1 2.131 0.005 A 4 ILE HD1% H 1 0.942 0.006 A 4 ILE HG1x H 1 1.290 0.005 A 4 ILE HG1y H 1 1.578 0.004 A 4 ILE HG2% H 1 1.001 0.006 A 4 ILE CA C 13 64.362 0.000 A 4 ILE CB C 13 39.317 0.000 A 4 ILE CD1 C 13 12.973 0.000 A 4 ILE CG1 C 13 29.035 0.003 A 4 ILE CG2 C 13 17.970 0.000 A 5 ILE H H 1 7.414 0.004 A 5 ILE HA H 1 4.420 0.004 A 5 ILE HB H 1 2.086 0.005 A 5 ILE HD1% H 1 0.889 0.005 A 5 ILE HG1x H 1 1.344 0.005 A 5 ILE HG1y H 1 1.559 0.008 A 5 ILE HG2% H 1 1.009 0.005 A 5 ILE CA C 13 62.838 0.000 A 5 ILE CB C 13 40.264 0.000 A 5 ILE CD1 C 13 12.655 0.000 A 5 ILE CG1 C 13 28.849 0.005 A 5 ILE CG2 C 13 18.284 0.000 A 6 AIB H H 1 8.616 0.004 A 6 AIB HB1% H 1 1.489 0.009 A 6 AIB HB2% H 1 1.795 0.006 A 6 AIB CB1 C 13 26.204 0.000 A 6 AIB CB2 C 13 22.813 0.000 A 7 PRO HA H 1 4.407 0.004 A 7 PRO HBx H 1 1.799 0.006 A 7 PRO HBy H 1 2.417 0.006 A 7 PRO HDx H 1 3.408 0.004 A 7 PRO HDy H 1 4.060 0.004 A 7 PRO HGx H 1 1.959 0.006 A 7 PRO HGy H 1 2.077 0.006 A 7 PRO CA C 13 67.350 0.000 A 7 PRO CB C 13 32.075 0.007 A 7 PRO CD C 13 53.721 0.002 A 7 PRO CG C 13 29.509 0.002 A 8 LEU H H 1 7.835 0.002 A 8 LEU HA H 1 4.240 0.004 A 8 LEU HBx H 1 1.653 0.006 A 8 LEU HBy H 1 2.007 0.004 A 8 LEU HDx% H 1 0.950 0.005 A 8 LEU HDy% H 1 1.048 0.004 A 8 LEU HG H 1 1.827 0.003 A 8 LEU CA C 13 58.115 0.000 A 8 LEU CB C 13 43.103 0.005 A 8 LEU CD1 C 13 23.032 0.000 A 8 LEU CD2 C 13 25.727 0.000 A 8 LEU CG C 13 28.574 0.000 A 9 LEU H H 1 7.227 0.004 A 9 LEU HA H 1 4.601 0.004 A 9 LEU HBx H 1 1.691 0.004 A 9 LEU HBy H 1 1.763 0.007 A 9 LEU HDx% H 1 0.871 0.002 A 9 LEU HDy% H 1 0.904 0.003 A 9 LEU HG H 1 1.644 0.000 A 9 LEU CA C 13 55.555 0.000 A 9 LEU CB C 13 44.031 0.001 A 9 LEU CD1 C 13 22.946 0.000 A 9 LEU CD2 C 13 25.499 0.000 A 9 LEU CG C 13 28.391 0.000 A 10 AIB H H 1 7.573 0.003 A 10 AIB HB1% H 1 1.479 0.008 A 10 AIB HB2% H 1 1.499 0.006 A 10 AIB CB1 C 13 28.262 0.000 A 10 AIB CB2 C 13 26.385 0.000 A 11 PRO HA H 1 4.410 0.005 A 11 PRO HBx H 1 1.784 0.008 A 11 PRO HBy H 1 2.365 0.004 A 11 PRO HDx H 1 3.338 0.004 A 11 PRO HDy H 1 3.873 0.004 A 11 PRO HGx H 1 1.920 0.004 A 11 PRO HGy H 1 2.019 0.006 A 11 PRO CA C 13 68.605 0.000 A 11 PRO CB C 13 32.398 0.002 A 11 PRO CD C 13 53.098 0.001 A 11 PRO CG C 13 29.110 0.001 A 12 DCL HA H 1 4.067 0.004 A 12 DCL HBx H 1 1.321 0.006 A 12 DCL HBy H 1 1.645 0.006 A 12 DCL HCx H 1 3.614 0.004 A 12 DCL HCy H 1 3.729 0.005 A 12 DCL HDx% H 1 0.917 0.003 A 12 DCL HDy% H 1 0.965 0.002 A 12 DCL HG H 1 1.624 0.000 A 12 DCL HN1 H 1 7.639 0.001 A 12 DCL C C 13 68.706 0.002 A 12 DCL CA C 13 54.025 0.000 A 12 DCL CB C 13 42.456 0.002 A 12 DCL CD1 C 13 24.281 0.000 A 12 DCL CD2 C 13 25.725 0.000 A 12 DCL CG C 13 28.383 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 ASN H A 3 ASN HBy 1.0 . 3.67 2 2 A 3 ASN H A 3 ASN HBx 1.0 . 3.67 3 3 A 4 ILE H A 3 ASN HBy 1.0 . 3.95 4 4 A 4 ILE H A 3 ASN HBx 1.0 . 3.95 5 5 A 4 ILE H A 4 ILE HB 1.0 . 3.05 6 6 A 8 LEU H A 8 LEU HBy 1.0 . 3.61 7 7 A 8 LEU H A 8 LEU HBx 1.0 . 3.61 8 8 A 8 LEU HA A 8 LEU HBy 1.0 . 2.96 9 9 A 8 LEU HA A 8 LEU HBx 1.0 . 2.96 10 10 A 9 LEU HA A 9 LEU HBy 1.0 . 2.96 11 11 A 9 LEU HA A 9 LEU HBx 1.0 . 2.96 12 12 A 8 LEU H A 9 LEU H 1.0 . 2.83 13 13 A 4 ILE HB A 5 ILE H 1.0 . 3.27 14 14 A 9 LEU H A 5 ILE HA 1.0 . 4.07 15 15 A 4 ILE H A 5 ILE H 1.0 . 2.77 16 16 A 5 ILE H A 5 ILE HB 1.0 . 3.14 17 17 A 4 ILE H A 4 ILE HG1y 1.0 . 3.83 18 18 A 4 ILE H A 4 ILE HG1x 1.0 . 3.83 19 19 A 8 LEU H A 8 LEU HG 1.0 . 3.33 20 20 A 8 LEU HA A 8 LEU HG 1.0 . 3.21 21 21 A 4 ILE H A 4 ILE HG2% 1.0 . 5.22 22 22 A 4 ILE HA A 4 ILE HD1% 1.0 . 4.88 23 23 A 5 ILE H A 5 ILE HG2% 1.0 . 5.22 24 24 A 5 ILE HA A 5 ILE HD1% 1.0 . 5.56 25 25 A 8 LEU H A 8 LEU HDy% 1.0 . 6.52 26 26 A 8 LEU H A 8 LEU HDx% 1.0 . 6.52 27 27 A 9 LEU HA A 9 LEU HDy% 1.0 . 4.94 28 28 A 9 LEU HA A 9 LEU HDx% 1.0 . 4.94 29 29 A 3 ASN H A 3 ASN HBy 1.0 . 3.20 30 29 A 3 ASN H A 3 ASN HBx 1.0 . 3.20 31 30 A 3 ASN HBx A 3 ASN HD2x 1.0 . 3.16 32 30 A 3 ASN HBy A 3 ASN HD2x 1.0 . 3.16 33 30 A 3 ASN HD2y A 3 ASN HBy 1.0 . 3.16 34 30 A 3 ASN HBx A 3 ASN HD2y 1.0 . 3.16 35 31 A 4 ILE H A 3 ASN HBy 1.0 . 3.46 36 31 A 4 ILE H A 3 ASN HBx 1.0 . 3.46 37 32 A 4 ILE HA A 4 ILE HG1x 1.0 . 2.38 38 32 A 4 ILE HA A 4 ILE HG1y 1.0 . 2.38 39 33 A 5 ILE H A 5 ILE HG1x 1.0 . 3.60 40 33 A 5 ILE H A 5 ILE HG1y 1.0 . 3.60 41 34 A 5 ILE H A 7 PRO HDy 1.0 . 4.61 42 34 A 5 ILE H A 7 PRO HDx 1.0 . 4.61 43 35 A 5 ILE HA A 7 PRO HDy 1.0 . 4.61 44 35 A 5 ILE HA A 7 PRO HDx 1.0 . 4.61 45 36 A 5 ILE HB A 5 ILE HG1x 1.0 . 2.31 46 36 A 5 ILE HB A 5 ILE HG1y 1.0 . 2.31 47 37 A 8 LEU H A 7 PRO HDy 1.0 . 3.76 48 37 A 8 LEU H A 7 PRO HDx 1.0 . 3.76 49 38 A 8 LEU H A 8 LEU HBy 1.0 . 2.85 50 38 A 8 LEU H A 8 LEU HBx 1.0 . 2.85 51 39 A 8 LEU H A 8 LEU HDy% 1.0 . 5.72 52 39 A 8 LEU H A 8 LEU HDx% 1.0 . 5.72 53 40 A 8 LEU HA A 8 LEU HBy 1.0 . 2.30 54 40 A 8 LEU HA A 8 LEU HBx 1.0 . 2.30 55 41 A 8 LEU HA A 8 LEU HDy% 1.0 . 4.35 56 41 A 8 LEU HA A 8 LEU HDx% 1.0 . 4.35 57 42 A 9 LEU H A 8 LEU HBy 1.0 . 3.38 58 42 A 9 LEU H A 8 LEU HBx 1.0 . 3.38 59 43 A 9 LEU H A 9 LEU HBy 1.0 . 2.90 60 43 A 9 LEU H A 9 LEU HBx 1.0 . 2.90 61 44 A 9 LEU H A 9 LEU HDy% 1.0 . 5.47 62 44 A 9 LEU H A 9 LEU HDx% 1.0 . 5.47 63 45 A 9 LEU HA A 9 LEU HBy 1.0 . 2.30 64 45 A 9 LEU HA A 9 LEU HBx 1.0 . 2.30 65 46 A 9 LEU HA A 9 LEU HDy% 1.0 . 4.26 66 46 A 9 LEU HA A 9 LEU HDx% 1.0 . 4.26 67 47 A 9 LEU HA A 11 PRO HDy 1.0 . 4.33 68 47 A 9 LEU HA A 11 PRO HDx 1.0 . 4.33 69 48 A 9 LEU HA A 12 DCL HBy 1.0 . 4.07 70 48 A 9 LEU HA A 12 DCL HBx 1.0 . 4.07 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 2 ABA C A 3 ASN N A 3 ASN CA A 3 ASN C 1.0 -79.3 -39.3 PHI 2 2 A 3 ASN N A 3 ASN CA A 3 ASN C A 4 ILE N 1.0 -59.9 -19.9 PSI 3 3 A 3 ASN C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -102.5 -45.8 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 ILE N 1.0 -60.1 -16.7 PSI 5 5 A 4 ILE C A 5 ILE N A 5 ILE CA A 5 ILE C 1.0 -85.0 -44.2 PHI 6 6 A 5 ILE N A 5 ILE CA A 5 ILE C A 6 ABA N 1.0 -63.8 -23.8 PSI 7 7 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 LEU N 1.0 -55.2 -13.4 PSI 8 8 A 7 PRO C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -96.0 -40.6 PHI 9 9 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LEU N 1.0 -57.4 -9.4 PSI 10 10 A 8 LEU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -110.8 -70.8 PHI 11 11 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 ABA N 1.0 -50.6 19.9 PSI 12 12 A 11 PRO N A 11 PRO CA A 11 PRO C A 12 DCL N 1.0 -59.2 2.3 PSI stop_ save_