data_nef_c34060_5m9y 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 PDB 5M9Y 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 2.034 0.003 A 1 ACE CH3 C 13 25.411 0.000 A 2 AIB H H 1 9.046 0.004 A 2 AIB HB1% H 1 1.406 0.007 A 2 AIB HB2% H 1 1.434 0.005 A 2 AIB CB1 C 13 26.098 0.000 A 2 AIB CB2 C 13 28.883 0.000 A 3 ASN H H 1 8.668 0.003 A 3 ASN HA H 1 4.306 0.005 A 3 ASN HBx H 1 2.791 0.003 A 3 ASN HBy H 1 2.791 0.003 A 3 ASN HD2x H 1 6.880 0.003 A 3 ASN HD2y H 1 7.675 0.003 A 3 ASN CA C 13 55.654 0.000 A 3 ASN CB C 13 37.963 0.000 A 4 ILE H H 1 7.917 0.003 A 4 ILE HA H 1 3.968 0.003 A 4 ILE HB H 1 2.060 0.004 A 4 ILE HD1% H 1 0.894 0.005 A 4 ILE HG1x H 1 1.262 0.005 A 4 ILE HG1y H 1 1.573 0.003 A 4 ILE HG2% H 1 0.913 0.002 A 4 ILE CA C 13 62.837 0.000 A 4 ILE CB C 13 38.277 0.000 A 4 ILE CD1 C 13 13.295 0.000 A 4 ILE CG1 C 13 28.421 0.001 A 4 ILE CG2 C 13 17.918 0.000 A 5 ILE H H 1 7.336 0.004 A 5 ILE HA H 1 4.120 0.004 A 5 ILE HB H 1 1.924 0.003 A 5 ILE HD1% H 1 0.788 0.004 A 5 ILE HG1x H 1 1.302 0.003 A 5 ILE HG1y H 1 1.558 0.003 A 5 ILE HG2% H 1 0.896 0.004 A 5 ILE CA C 13 62.200 0.000 A 5 ILE CB C 13 38.761 0.000 A 5 ILE CD1 C 13 12.279 0.000 A 5 ILE CG1 C 13 28.308 0.008 A 5 ILE CG2 C 13 17.996 0.000 A 6 AIB H H 1 9.082 0.003 A 6 AIB HB1% H 1 1.406 0.006 A 6 AIB HB2% H 1 1.713 0.004 A 6 AIB CB1 C 13 25.959 0.000 A 6 AIB CB2 C 13 22.207 0.000 A 7 PRO HA H 1 4.490 0.006 A 7 PRO HBx H 1 1.804 0.003 A 7 PRO HBy H 1 2.372 0.004 A 7 PRO HDx H 1 3.379 0.004 A 7 PRO HDy H 1 3.819 0.004 A 7 PRO HGx H 1 1.974 0.003 A 7 PRO HGy H 1 1.974 0.003 A 7 PRO CB C 13 31.352 0.006 A 7 PRO CD C 13 53.046 0.000 A 7 PRO CG C 13 28.712 0.000 A 8 LEU H H 1 7.529 0.004 A 8 LEU HA H 1 4.150 0.005 A 8 LEU HBx H 1 1.576 0.004 A 8 LEU HBy H 1 1.918 0.003 A 8 LEU HDx% H 1 0.910 0.004 A 8 LEU HDy% H 1 0.989 0.004 A 8 LEU HG H 1 1.873 0.002 A 8 LEU CA C 13 56.650 0.000 A 8 LEU CB C 13 42.181 0.000 A 8 LEU CD1 C 13 23.320 0.000 A 8 LEU CD2 C 13 26.144 0.000 A 8 LEU CG C 13 27.446 0.000 A 9 LEU H H 1 6.955 0.004 A 9 LEU HA H 1 4.401 0.006 A 9 LEU HBx H 1 1.618 0.006 A 9 LEU HBy H 1 1.687 0.006 A 9 LEU HDx% H 1 0.807 0.002 A 9 LEU HDy% H 1 0.848 0.004 A 9 LEU HG H 1 1.659 0.007 A 9 LEU CA C 13 54.159 0.000 A 9 LEU CB C 13 42.725 0.009 A 9 LEU CD1 C 13 23.348 0.000 A 9 LEU CD2 C 13 25.953 0.000 A 9 LEU CG C 13 27.442 0.000 A 10 AIB H H 1 7.448 0.003 A 10 AIB HB1% H 1 1.438 0.003 A 10 AIB HB2% H 1 1.472 0.004 A 10 AIB CB1 C 13 28.324 0.000 A 10 AIB CB2 C 13 25.970 0.000 A 11 PRO HA H 1 4.487 0.005 A 11 PRO HBx H 1 1.704 0.004 A 11 PRO HBy H 1 2.354 0.004 A 11 PRO HDx H 1 3.282 0.003 A 11 PRO HDy H 1 3.774 0.004 A 11 PRO HGx H 1 1.888 0.003 A 11 PRO HGy H 1 1.957 0.004 A 11 PRO CB C 13 31.980 0.000 A 11 PRO CD C 13 52.172 0.000 A 11 PRO CG C 13 28.310 0.007 A 12 DCL HA H 1 3.967 0.003 A 12 DCL HBx H 1 3.439 0.002 A 12 DCL HBy H 1 3.477 0.003 A 12 DCL HCy H 1 1.532 0.004 A 12 DCL HCx H 1 1.221 0.003 A 12 DCL HDx% H 1 0.861 0.003 A 12 DCL HDy% H 1 0.931 0.004 A 12 DCL HG H 1 1.596 0.005 A 12 DCL HN1 H 1 7.587 0.004 A 12 DCL C C 13 68.011 0.000 A 12 DCL CA C 13 53.103 0.000 A 12 DCL CB C 13 41.888 0.002 A 12 DCL CD1 C 13 24.270 0.000 A 12 DCL CD2 C 13 26.495 0.000 A 12 DCL CG C 13 27.562 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 HBx 1.0 . 3.87 2 1 A 3 ASN H A 3 ASN HBy 1.0 . 3.87 3 2 A 4 ILE H A 3 ASN HBx 1.0 . 4.83 4 2 A 3 ASN HBy A 4 ILE H 1.0 . 4.83 5 3 A 4 ILE H A 4 ILE HB 1.0 . 2.59 6 4 A 3 ASN H A 4 ILE H 1.0 . 3.02 7 5 A 4 ILE H A 5 ILE H 1.0 . 2.68 8 6 A 9 LEU H A 8 LEU H 1.0 . 2.83 9 7 A 5 ILE H A 5 ILE HB 1.0 . 2.74 10 8 A 4 ILE HB A 5 ILE H 1.0 . 3.02 11 9 A 3 ASN H A 5 ILE H 1.0 . 4.11 12 10 A 3 ASN HA A 5 ILE H 1.0 . 3.86 13 11 A 8 LEU H A 7 PRO HBy 1.0 . 3.73 14 12 A 8 LEU H A 8 LEU HBx 1.0 . 3.14 15 13 A 8 LEU H A 7 PRO HBx 1.0 . 3.73 16 14 A 4 ILE HB A 4 ILE HA 1.0 . 2.96 17 15 A 12 DCL HA A 12 DCL HBy 1.0 . 2.99 18 16 A 5 ILE HB A 5 ILE HA 1.0 . 2.93 19 17 A 8 LEU H A 8 LEU HBy 1.0 . 3.14 20 18 A 4 ILE H A 4 ILE HG1x 1.0 . 3.27 21 19 A 9 LEU HA A 11 PRO HDx 1.0 . 4.72 22 20 A 5 ILE H A 5 ILE HG1y 1.0 . 3.33 23 21 A 3 ASN H A 3 ASN HD2y 1.0 . 5.50 24 22 A 3 ASN H A 3 ASN HD2x 1.0 . 5.50 25 23 A 9 LEU HA A 11 PRO HDy 1.0 . 4.72 26 24 A 8 LEU HA A 8 LEU HG 1.0 . 2.96 27 25 A 5 ILE H A 5 ILE HG1x 1.0 . 3.33 28 26 A 4 ILE H A 4 ILE HG1y 1.0 . 3.27 29 27 A 8 LEU H A 7 PRO HGx 1.0 . 5.12 30 27 A 8 LEU H A 7 PRO HGy 1.0 . 5.12 31 28 A 8 LEU H A 8 LEU HG 1.0 . 2.93 32 29 A 5 ILE H A 5 ILE HG2% 1.0 . 4.69 33 30 A 8 LEU H A 8 LEU HDy% 1.0 . 5.34 34 31 A 8 LEU H A 8 LEU HDx% 1.0 . 5.34 35 32 A 9 LEU H A 9 LEU HDx% 1.0 . 5.12 36 33 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.51 37 34 A 5 ILE HA A 5 ILE HG2% 1.0 . 3.88 38 35 A 4 ILE H A 4 ILE HG2% 1.0 . 4.75 39 36 A 4 ILE H A 4 ILE HD1% 1.0 . 5.71 40 37 A 4 ILE HA A 4 ILE HG2% 1.0 . 4.22 41 38 A 4 ILE HA A 4 ILE HD1% 1.0 . 4.44 42 39 A 5 ILE HB A 5 ILE HD1% 1.0 . 4.16 43 40 A 5 ILE H A 5 ILE HD1% 1.0 . 5.56 44 41 A 9 LEU H A 9 LEU HDy% 1.0 . 5.12 45 42 A 4 ILE HA A 4 ILE HG1y 1.0 . 3.47 46 42 A 4 ILE HA A 4 ILE HG1x 1.0 . 3.47 47 43 A 5 ILE HA A 5 ILE HG1y 1.0 . 2.58 48 43 A 5 ILE HA A 5 ILE HG1x 1.0 . 2.58 49 44 A 5 ILE HA A 7 PRO HDy 1.0 . 3.88 50 44 A 5 ILE HA A 7 PRO HDx 1.0 . 3.88 51 45 A 5 ILE HA A 8 LEU HDy% 1.0 . 4.47 52 45 A 5 ILE HA A 8 LEU HDx% 1.0 . 4.47 53 46 A 8 LEU H A 7 PRO HBy 1.0 . 2.96 54 46 A 8 LEU H A 7 PRO HBx 1.0 . 2.96 55 47 A 8 LEU H A 7 PRO HDy 1.0 . 3.61 56 47 A 8 LEU H A 7 PRO HDx 1.0 . 3.61 57 48 A 8 LEU H A 8 LEU HBx 1.0 . 2.60 58 48 A 8 LEU H A 8 LEU HBy 1.0 . 2.60 59 49 A 8 LEU H A 8 LEU HDy% 1.0 . 4.70 60 49 A 8 LEU H A 8 LEU HDx% 1.0 . 4.70 61 50 A 8 LEU HA A 8 LEU HBx 1.0 . 2.54 62 50 A 8 LEU HA A 8 LEU HBy 1.0 . 2.54 63 51 A 8 LEU HA A 8 LEU HDy% 1.0 . 3.75 64 51 A 8 LEU HA A 8 LEU HDx% 1.0 . 3.75 65 52 A 9 LEU H A 8 LEU HBx 1.0 . 3.13 66 52 A 9 LEU H A 8 LEU HBy 1.0 . 3.13 67 53 A 9 LEU H A 8 LEU HDy% 1.0 . 5.77 68 53 A 9 LEU H A 8 LEU HDx% 1.0 . 5.77 69 54 A 9 LEU H A 9 LEU HDy% 1.0 . 4.51 70 54 A 9 LEU H A 9 LEU HDx% 1.0 . 4.51 71 55 A 9 LEU HA A 9 LEU HBx 1.0 . 2.59 72 55 A 9 LEU HA A 9 LEU HBy 1.0 . 2.59 73 56 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.65 74 56 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.65 75 57 A 9 LEU HA A 11 PRO HDy 1.0 . 4.13 76 57 A 9 LEU HA A 11 PRO HDx 1.0 . 4.13 77 58 A 12 DCL HG A 11 PRO HDy 1.0 . 4.21 78 58 A 12 DCL HG A 11 PRO HDx 1.0 . 4.21 79 59 A 12 DCL HA A 12 DCL HBy 1.0 . 2.42 80 59 A 12 DCL HA A 12 DCL HBx 1.0 . 2.42 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 save_