data_nef_c34065_5mf3 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 34066 PDB 5MF3 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 2.063 0.004 A 1 ACE CH3 C 13 25.088 0.000 A 2 AIB H H 1 8.404 0.006 A 2 AIB HB1% H 1 1.444 0.006 A 2 AIB HB2% H 1 1.474 0.007 A 2 AIB CB1 C 13 25.727 0.000 A 2 AIB CB2 C 13 28.448 0.000 A 3 ASN H H 1 8.436 0.002 A 3 ASN HA H 1 4.354 0.002 A 3 ASN HBx H 1 2.825 0.003 A 3 ASN HBy H 1 2.825 0.003 A 3 ASN HD2x H 1 6.867 0.003 A 3 ASN HD2y H 1 7.606 0.002 A 3 ASN CA C 13 55.352 0.000 A 3 ASN CB C 13 37.898 0.000 A 4 ILE H H 1 7.951 0.003 A 4 ILE HA H 1 3.990 0.003 A 4 ILE HB H 1 2.078 0.003 A 4 ILE HD1% H 1 0.918 0.002 A 4 ILE HG1x H 1 1.290 0.004 A 4 ILE HG1y H 1 1.585 0.004 A 4 ILE HG2% H 1 0.949 0.003 A 4 ILE CA C 13 62.634 0.000 A 4 ILE CB C 13 38.062 0.000 A 4 ILE CD1 C 13 12.824 0.000 A 4 ILE CG1 C 13 28.086 0.002 A 4 ILE CG2 C 13 17.484 0.000 A 5 ILE H H 1 7.368 0.004 A 5 ILE HA H 1 4.158 0.001 A 5 ILE HB H 1 1.966 0.003 A 5 ILE HD1% H 1 0.832 0.003 A 5 ILE HG1x H 1 1.337 0.004 A 5 ILE HG1y H 1 1.580 0.004 A 5 ILE HG2% H 1 0.938 0.004 A 5 ILE CA C 13 61.908 0.000 A 5 ILE CB C 13 38.472 0.000 A 5 ILE CD1 C 13 12.032 0.000 A 5 ILE CG1 C 13 27.990 0.004 A 5 ILE CG2 C 13 17.693 0.000 A 6 AIB H H 1 8.962 0.002 A 6 AIB HB1% H 1 1.442 0.004 A 6 AIB HB2% H 1 1.752 0.003 A 6 AIB CB1 C 13 25.700 0.000 A 6 AIB CB2 C 13 21.878 0.000 A 7 PRO HA H 1 4.513 0.003 A 7 PRO HBx H 1 1.834 0.005 A 7 PRO HBy H 1 2.377 0.002 A 7 PRO HDx H 1 3.411 0.002 A 7 PRO HDy H 1 3.843 0.003 A 7 PRO HGx H 1 1.987 0.003 A 7 PRO HGy H 1 1.987 0.003 A 7 PRO CA C 13 65.596 0.000 A 7 PRO CB C 13 30.987 0.006 A 7 PRO CD C 13 52.585 0.006 A 7 PRO CG C 13 28.312 0.000 A 8 LEU H H 1 7.647 0.003 A 8 LEU HA H 1 4.185 0.002 A 8 LEU HBx H 1 1.616 0.004 A 8 LEU HBy H 1 1.945 0.003 A 8 LEU HDx% H 1 0.940 0.003 A 8 LEU HDy% H 1 1.020 0.004 A 8 LEU HG H 1 1.876 0.004 A 8 LEU CA C 13 56.308 0.000 A 8 LEU CB C 13 41.894 0.001 A 8 LEU CD1 C 13 22.775 0.000 A 8 LEU CD2 C 13 25.673 0.000 A 8 LEU CG C 13 27.175 0.000 A 9 LEU H H 1 7.042 0.003 A 9 LEU HA H 1 4.446 0.003 A 9 LEU HBx H 1 1.684 0.002 A 9 LEU HBy H 1 1.684 0.002 A 9 LEU HDx% H 1 0.850 0.002 A 9 LEU HDy% H 1 0.895 0.002 A 9 LEU HG H 1 1.684 0.003 A 9 LEU CA C 13 53.823 0.000 A 9 LEU CB C 13 42.176 0.000 A 9 LEU CD1 C 13 23.139 0.000 A 9 LEU CD2 C 13 25.546 0.000 A 9 LEU CG C 13 27.124 0.000 A 10 AIB H H 1 7.589 0.004 A 10 AIB HB1% H 1 1.467 0.004 A 10 AIB HB2% H 1 1.500 0.002 A 10 AIB CB1 C 13 27.876 0.000 A 10 AIB CB2 C 13 25.538 0.000 A 11 PRO HA H 1 4.515 0.002 A 11 PRO HBx H 1 1.764 0.005 A 11 PRO HBy H 1 2.377 0.002 A 11 PRO HDx H 1 3.341 0.002 A 11 PRO HDy H 1 3.820 0.003 A 11 PRO HGx H 1 1.923 0.003 A 11 PRO HGy H 1 1.964 0.005 A 11 PRO CA C 13 66.882 0.000 A 11 PRO CB C 13 31.610 0.006 A 11 PRO CD C 13 51.873 0.002 A 11 PRO CG C 13 27.959 0.006 A 12 DCL HA H 1 4.023 0.002 A 12 DCL HBy H 1 1.528 0.004 A 12 DCL HBx H 1 1.269 0.004 A 12 DCL HCx H 1 3.519 0.001 A 12 DCL HCy H 1 3.550 0.003 A 12 DCL HDx% H 1 0.889 0.005 A 12 DCL HDy% H 1 0.954 0.003 A 12 DCL HG H 1 1.595 0.003 A 12 DCL HN1 H 1 7.639 0.004 A 12 DCL C C 13 67.715 0.000 A 12 DCL CA C 13 52.848 0.000 A 12 DCL CB C 13 41.425 0.001 A 12 DCL CD1 C 13 23.713 0.000 A 12 DCL CD2 C 13 26.065 0.000 A 12 DCL CG C 13 27.251 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 4 ILE H A 3 ASN HBx 1.0 . 4.89 2 1 A 3 ASN HBy A 4 ILE H 1.0 . 4.89 3 2 A 4 ILE HA A 4 ILE HB 1.0 . 3.02 4 3 A 8 LEU HA A 8 LEU HBy 1.0 . 2.99 5 4 A 9 LEU H A 9 LEU HBx 1.0 . 3.78 6 4 A 9 LEU H A 9 LEU HBy 1.0 . 3.78 7 5 A 9 LEU HA A 10 ABA H 1.0 . 3.36 8 6 A 4 ILE HA A 6 ABA H 1.0 . 4.91 9 7 A 6 ABA H A 3 ASN HA 1.0 . 3.86 10 8 A 6 ABA H A 5 ILE H 1.0 . 2.96 11 9 A 4 ILE H A 6 ABA H 1.0 . 3.92 12 10 A 5 ILE H A 3 ASN H 1.0 . 4.07 13 11 A 4 ILE H A 3 ASN H 1.0 . 3.08 14 12 A 4 ILE H A 5 ILE H 1.0 . 2.80 15 13 A 10 ABA H A 9 LEU HBx 1.0 . 4.68 16 13 A 9 LEU HBy A 10 ABA H 1.0 . 4.68 17 14 A 8 LEU HA A 10 ABA H 1.0 . 4.42 18 15 A 3 ASN HA A 5 ILE H 1.0 . 4.11 19 16 A 8 LEU H A 9 LEU H 1.0 . 2.93 20 17 A 9 LEU H A 10 ABA H 1.0 . 2.99 21 18 A 8 LEU H A 6 ABA H 1.0 . 3.39 22 19 A 3 ASN H A 3 ASN HBx 1.0 . 3.99 23 19 A 3 ASN HBy A 3 ASN H 1.0 . 3.99 24 20 A 6 ABA H A 5 ILE HB 1.0 . 2.96 25 21 A 4 ILE H A 4 ILE HB 1.0 . 2.74 26 22 A 4 ILE HB A 5 ILE H 1.0 . 3.14 27 23 A 5 ILE H A 5 ILE HB 1.0 . 2.86 28 24 A 8 LEU H A 8 LEU HBy 1.0 . 2.90 29 25 A 9 LEU H A 8 LEU HBy 1.0 . 3.76 30 26 A 4 ILE H A 2 ABA H 1.0 . 5.04 31 27 A 4 ILE HA A 4 ILE HG1y 1.0 . 3.79 32 28 A 5 ILE H A 5 ILE HG1y 1.0 . 3.52 33 29 A 5 ILE HA A 5 ILE HG1y 1.0 . 3.73 34 30 A 8 LEU H A 7 PRO HDy 1.0 . 4.60 35 31 A 3 ASN H A 3 ASN HD2y 1.0 . 5.50 36 32 A 5 ILE H A 7 PRO HDy 1.0 . 5.50 37 33 A 9 LEU H A 11 PRO HDy 1.0 . 5.50 38 34 A 3 ASN H A 3 ASN HD2x 1.0 . 5.50 39 35 A 10 ABA H A 11 PRO HDy 1.0 . 4.20 40 36 A 6 ABA H A 7 PRO HDy 1.0 . 3.83 41 37 A 8 LEU H A 8 LEU HG 1.0 . 3.36 42 38 A 6 ABA H A 5 ILE HG1y 1.0 . 5.50 43 39 A 4 ILE H A 4 ILE HG1y 1.0 . 3.86 44 40 A 9 LEU H A 8 LEU HG 1.0 . 5.25 45 41 A 8 LEU H A 7 PRO HGx 1.0 . 5.61 46 41 A 8 LEU H A 7 PRO HGy 1.0 . 5.61 47 42 A 4 ILE HA A 7 PRO HGx 1.0 . 6.39 48 42 A 4 ILE HA A 7 PRO HGy 1.0 . 6.39 49 43 A 5 ILE HA A 8 LEU HG 1.0 . 3.42 50 44 A 8 LEU HA A 8 LEU HG 1.0 . 2.80 51 45 A 4 ILE H A 4 ILE HD1% 1.0 . 6.37 52 46 A 4 ILE HA A 4 ILE HG2% 1.0 . 4.01 53 47 A 4 ILE HA A 4 ILE HD1% 1.0 . 4.94 54 48 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.78 55 49 A 5 ILE HA A 5 ILE HG2% 1.0 . 4.04 56 50 A 9 LEU H A 9 LEU HDx% 1.0 . 5.81 57 51 A 9 LEU HA A 9 LEU HDy% 1.0 . 4.53 58 52 A 9 LEU HA A 9 LEU HDx% 1.0 . 4.53 59 53 A 6 ABA H A 5 ILE HD1% 1.0 . 6.12 60 54 A 6 ABA H A 5 ILE HG2% 1.0 . 5.31 61 55 A 10 ABA H A 9 LEU HDx% 1.0 . 6.52 62 56 A 8 LEU H A 8 LEU HDy% 1.0 . 5.90 63 57 A 8 LEU H A 8 LEU HDx% 1.0 . 5.90 64 58 A 4 ILE H A 4 ILE HG2% 1.0 . 4.94 65 59 A 9 LEU H A 9 LEU HDy% 1.0 . 5.81 66 60 A 5 ILE H A 5 ILE HG2% 1.0 . 4.88 67 61 A 5 ILE H A 5 ILE HD1% 1.0 . 5.84 68 62 A 5 ILE H A 4 ILE HG2% 1.0 . 5.74 69 63 A 10 ABA H A 9 LEU HDy% 1.0 . 6.52 70 64 A 4 ILE H A 4 ILE HG1y 1.0 . 3.31 71 64 A 4 ILE H A 4 ILE HG1x 1.0 . 3.31 72 65 A 4 ILE HA A 4 ILE HG1y 1.0 . 3.27 73 65 A 4 ILE HA A 4 ILE HG1x 1.0 . 3.27 74 66 A 4 ILE HA A 7 PRO HDy 1.0 . 4.23 75 66 A 4 ILE HA A 7 PRO HDx 1.0 . 4.23 76 67 A 5 ILE H A 7 PRO HDy 1.0 . 4.75 77 67 A 5 ILE H A 7 PRO HDx 1.0 . 4.75 78 68 A 5 ILE HA A 5 ILE HG1y 1.0 . 2.85 79 68 A 5 ILE HA A 5 ILE HG1x 1.0 . 2.85 80 69 A 5 ILE HA A 7 PRO HDy 1.0 . 4.29 81 69 A 5 ILE HA A 7 PRO HDx 1.0 . 4.29 82 70 A 5 ILE HA A 8 LEU HDx% 1.0 . 4.74 83 70 A 5 ILE HA A 8 LEU HDy% 1.0 . 4.74 84 71 A 5 ILE HG2% A 5 ILE HG1y 1.0 . 3.29 85 71 A 5 ILE HG2% A 5 ILE HG1x 1.0 . 3.29 86 72 A 6 ABA H A 5 ILE HG1y 1.0 . 4.78 87 72 A 6 ABA H A 5 ILE HG1x 1.0 . 4.78 88 73 A 6 ABA H A 7 PRO HDy 1.0 . 3.34 89 73 A 6 ABA H A 7 PRO HDx 1.0 . 3.34 90 74 A 8 LEU H A 7 PRO HBx 1.0 . 3.41 91 74 A 8 LEU H A 7 PRO HBy 1.0 . 3.41 92 75 A 8 LEU H A 7 PRO HDy 1.0 . 3.71 93 75 A 8 LEU H A 7 PRO HDx 1.0 . 3.71 94 76 A 8 LEU H A 8 LEU HBx 1.0 . 2.44 95 76 A 8 LEU H A 8 LEU HBy 1.0 . 2.44 96 77 A 8 LEU H A 8 LEU HDx% 1.0 . 4.70 97 77 A 8 LEU H A 8 LEU HDy% 1.0 . 4.70 98 78 A 8 LEU HA A 8 LEU HBx 1.0 . 2.52 99 78 A 8 LEU HA A 8 LEU HBy 1.0 . 2.52 100 79 A 8 LEU HA A 8 LEU HDx% 1.0 . 3.98 101 79 A 8 LEU HA A 8 LEU HDy% 1.0 . 3.98 102 80 A 9 LEU H A 8 LEU HBx 1.0 . 3.16 103 80 A 9 LEU H A 8 LEU HBy 1.0 . 3.16 104 81 A 9 LEU H A 8 LEU HDx% 1.0 . 6.18 105 81 A 9 LEU H A 8 LEU HDy% 1.0 . 6.18 106 82 A 9 LEU H A 9 LEU HDx% 1.0 . 4.59 107 82 A 9 LEU H A 9 LEU HDy% 1.0 . 4.59 108 83 A 9 LEU H A 11 PRO HDy 1.0 . 4.81 109 83 A 9 LEU H A 11 PRO HDx 1.0 . 4.81 110 84 A 9 LEU HA A 9 LEU HDx% 1.0 . 3.81 111 84 A 9 LEU HA A 9 LEU HDy% 1.0 . 3.81 112 85 A 9 LEU HA A 11 PRO HDy 1.0 . 4.58 113 85 A 9 LEU HA A 11 PRO HDx 1.0 . 4.58 114 86 A 9 LEU HBx A 11 PRO HDy 1.0 . 6.16 115 86 A 9 LEU HBy A 11 PRO HDy 1.0 . 6.16 116 86 A 11 PRO HDx A 9 LEU HBx 1.0 . 6.16 117 86 A 9 LEU HBy A 11 PRO HDx 1.0 . 6.16 118 87 A 10 ABA H A 9 LEU HDx% 1.0 . 5.43 119 87 A 10 ABA H A 9 LEU HDy% 1.0 . 5.43 120 88 A 10 ABA H A 11 PRO HGx 1.0 . 5.08 121 88 A 10 ABA H A 11 PRO HGy 1.0 . 5.08 122 89 A 10 ABA H A 11 PRO HDy 1.0 . 3.57 123 89 A 10 ABA H A 11 PRO HDx 1.0 . 3.57 124 90 A 12 DCL HG A 11 PRO HDy 1.0 . 3.88 125 90 A 12 DCL HG A 11 PRO HDx 1.0 . 3.88 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_