data_nef_c25521_2n0d 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 BMRB 25519 BMRB 25520 BMRB 25522 BMRB 25523 BMRB 25524 BMRB 25525 PDB 1C98 PDB 1C9A PDB 2N0D stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 . false 2 A 2 ASN middle . . 3 A 3 HIS middle . . 4 A 4 TRP middle . . 5 A 5 ALA middle . . 6 A 6 VAL middle . . 7 A 7 GLY middle . false 8 A 8 HIS middle . . 9 A 9 LEU middle . . 10 A 10 MET middle . . 11 A 11 NH2 end . . 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 GLY HAx H 1 3.859 0.010 A 1 GLY HAy H 1 3.859 0.010 A 1 GLY CA C 13 43.846 0.100 A 2 ASN H H 1 8.656 0.011 A 2 ASN HA H 1 4.731 0.015 A 2 ASN HBx H 1 2.672 0.014 A 2 ASN HBy H 1 2.672 0.014 A 2 ASN HD2x H 1 6.858 0.011 A 2 ASN HD2y H 1 7.549 0.010 A 2 ASN CA C 13 53.633 0.100 A 2 ASN CB C 13 39.584 0.100 A 2 ASN N N 15 118.324 0.100 A 2 ASN ND2 N 15 112.496 0.100 A 3 HIS H H 1 8.631 0.013 A 3 HIS HA H 1 4.641 0.013 A 3 HIS HBx H 1 3.156 0.011 A 3 HIS HBy H 1 3.189 0.012 A 3 HIS HD2 H 1 7.143 0.012 A 3 HIS HE1 H 1 8.475 0.011 A 3 HIS CA C 13 56.454 0.100 A 3 HIS CB C 13 29.156 0.100 A 3 HIS CD2 C 13 120.656 0.100 A 3 HIS CE1 C 13 136.878 0.100 A 3 HIS N N 15 119.429 0.100 A 4 TRP H H 1 8.180 0.015 A 4 TRP HA H 1 4.637 0.016 A 4 TRP HBx H 1 3.279 0.015 A 4 TRP HBy H 1 3.325 0.015 A 4 TRP HD1 H 1 7.258 0.012 A 4 TRP HE1 H 1 10.077 0.010 A 4 TRP HE3 H 1 7.590 0.012 A 4 TRP HH2 H 1 7.225 0.011 A 4 TRP HZ2 H 1 7.466 0.012 A 4 TRP HZ3 H 1 7.148 0.011 A 4 TRP CA C 13 58.460 0.100 A 4 TRP CB C 13 30.116 0.100 A 4 TRP CD1 C 13 127.759 0.100 A 4 TRP CE3 C 13 121.326 0.100 A 4 TRP CH2 C 13 125.189 0.100 A 4 TRP CZ2 C 13 115.166 0.100 A 4 TRP CZ3 C 13 122.607 0.100 A 4 TRP N N 15 121.628 0.100 A 4 TRP NE1 N 15 128.955 0.100 A 5 ALA H H 1 8.185 0.015 A 5 ALA HA H 1 4.280 0.011 A 5 ALA HB% H 1 1.368 0.013 A 5 ALA CA C 13 53.638 0.100 A 5 ALA CB C 13 19.533 0.100 A 5 ALA N N 15 124.735 0.100 A 6 VAL H H 1 7.883 0.015 A 6 VAL HA H 1 3.962 0.014 A 6 VAL HB H 1 2.079 0.012 A 6 VAL HG1% H 1 1.000 0.014 A 6 VAL HG2% H 1 0.968 0.017 A 6 VAL CA C 13 64.087 0.100 A 6 VAL CB C 13 32.991 0.100 A 6 VAL CG1 C 13 21.261 0.100 A 6 VAL CG2 C 13 21.336 0.100 A 6 VAL N N 15 118.354 0.100 A 7 GLY H H 1 8.305 0.016 A 7 GLY HAx H 1 3.886 0.010 A 7 GLY HAy H 1 3.900 0.010 A 7 GLY CA C 13 46.064 0.100 A 7 GLY N N 15 110.265 0.100 A 8 HIS H H 1 8.143 0.012 A 8 HIS HA H 1 4.624 0.014 A 8 HIS HBx H 1 3.071 0.016 A 8 HIS HBy H 1 3.238 0.015 A 8 HIS HD2 H 1 7.204 0.013 A 8 HIS HE1 H 1 8.413 0.011 A 8 HIS CA C 13 56.454 0.100 A 8 HIS CB C 13 29.448 0.100 A 8 HIS CD2 C 13 120.656 0.100 A 8 HIS CE1 C 13 136.758 0.100 A 8 HIS N N 15 117.542 0.100 A 9 LEU H H 1 8.224 0.016 A 9 LEU HA H 1 4.322 0.015 A 9 LEU HBy H 1 1.716 0.012 A 9 LEU HBx H 1 1.611 0.014 A 9 LEU HD1% H 1 0.933 0.011 A 9 LEU HD2% H 1 0.893 0.011 A 9 LEU HG H 1 1.697 0.012 A 9 LEU CA C 13 56.324 0.100 A 9 LEU CB C 13 42.963 0.100 A 9 LEU CD1 C 13 25.092 0.100 A 9 LEU CD2 C 13 23.640 0.100 A 9 LEU CG C 13 27.478 0.100 A 9 LEU N N 15 122.248 0.100 A 10 MET H H 1 8.159 0.012 A 10 MET HA H 1 4.467 0.017 A 10 MET HBy H 1 2.133 0.012 A 10 MET HBx H 1 2.029 0.012 A 10 MET HE% H 1 2.099 0.010 A 10 MET HGx H 1 2.537 0.012 A 10 MET HGy H 1 2.617 0.014 A 10 MET CA C 13 55.832 0.100 A 10 MET CB C 13 33.542 0.100 A 10 MET CE C 13 17.061 0.100 A 10 MET CG C 13 32.678 0.100 A 10 MET N N 15 120.030 0.100 A 11 NH2 HNy H 1 7.391 0.010 A 11 NH2 HNx H 1 7.056 0.010 A 11 NH2 N N 15 106.888 0.100 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 6 VAL H A 6 VAL HB 1.0 . 3.75 2 2 A 9 LEU H A 9 LEU HBx 1.0 . 3.43 3 3 A 2 ASN HA A 3 HIS H 1.0 . 3.24 4 4 A 3 HIS H A 2 ASN HBx 1.0 . 4.85 5 4 A 3 HIS H A 2 ASN HBy 1.0 . 4.85 6 5 A 10 MET H A 10 MET HGx 1.0 . 4.77 7 6 A 10 MET H A 10 MET HGy 1.0 . 4.77 8 7 A 10 MET H A 10 MET HE% 1.0 . 4.30 9 8 A 8 HIS H A 8 HIS HBx 1.0 . 3.45 10 9 A 8 HIS H A 8 HIS HBy 1.0 . 3.92 11 10 A 4 TRP H A 4 TRP HBy 1.0 . 3.06 12 11 A 4 TRP HBx A 5 ALA H 1.0 . 3.04 13 12 A 3 HIS H A 3 HIS HBy 1.0 . 4.15 14 13 A 5 ALA H A 4 TRP HA 1.0 . 2.77 15 14 A 6 VAL H A 6 VAL HG2% 1.0 . 3.49 16 15 A 6 VAL H A 6 VAL HG1% 1.0 . 3.25 17 16 A 9 LEU H A 9 LEU HD1% 1.0 . 4.83 18 17 A 9 LEU H A 9 LEU HD2% 1.0 . 4.84 19 18 A 9 LEU HA A 9 LEU HG 1.0 . 4.25 20 19 A 9 LEU HD2% A 9 LEU HA 1.0 . 4.57 21 20 A 10 MET HE% A 6 VAL HA 1.0 . 3.48 22 21 A 6 VAL HG2% A 6 VAL HA 1.0 . 3.30 23 22 A 6 VAL HG1% A 6 VAL HA 1.0 . 3.41 24 23 A 9 LEU HD2% A 9 LEU HBy 1.0 . 3.42 25 24 A 9 LEU HD1% A 9 LEU HBy 1.0 . 3.46 26 25 A 4 TRP HBy A 4 TRP HD1 1.0 . 3.19 27 26 A 8 HIS HBx A 8 HIS HD2 1.0 . 3.68 28 27 A 8 HIS HBy A 8 HIS HD2 1.0 . 3.72 29 28 A 3 HIS H A 3 HIS HBx 1.0 . 4.15 30 29 A 9 LEU H A 9 LEU HBy 1.0 . 3.39 31 30 A 5 ALA H A 5 ALA HB% 1.0 . 3.16 32 31 A 9 LEU HD1% A 9 LEU HA 1.0 . 3.65 33 32 A 4 TRP HA A 4 TRP HD1 1.0 . 4.09 34 33 A 8 HIS HD2 A 8 HIS HA 1.0 . 4.95 35 34 A 3 HIS HA A 3 HIS HD2 1.0 . 4.06 36 35 A 3 HIS H A 4 TRP H 1.0 . 3.88 37 36 A 8 HIS H A 7 GLY H 1.0 . 3.35 38 37 A 6 VAL H A 5 ALA H 1.0 . 3.44 39 38 A 6 VAL H A 7 GLY H 1.0 . 3.48 40 39 A 5 ALA H A 4 TRP HE3 1.0 . 3.83 41 40 A 4 TRP H A 4 TRP HD1 1.0 . 3.43 42 41 A 8 HIS H A 8 HIS HD2 1.0 . 4.04 43 42 A 4 TRP HE3 A 5 ALA HA 1.0 . 4.54 44 43 A 4 TRP HBx A 4 TRP HE3 1.0 . 3.53 45 44 A 4 TRP HBy A 4 TRP HE3 1.0 . 3.80 46 45 A 6 VAL H A 5 ALA HA 1.0 . 3.07 47 46 A 6 VAL H A 5 ALA HB% 1.0 . 3.76 48 47 A 8 HIS H A 7 GLY HAx 1.0 . 3.08 49 48 A 10 MET HE% A 7 GLY H 1.0 . 3.78 50 49 A 6 VAL HG1% A 7 GLY H 1.0 . 4.28 51 50 A 6 VAL HG2% A 7 GLY H 1.0 . 3.85 52 51 A 9 LEU H A 8 HIS HBy 1.0 . 4.04 53 52 A 6 VAL H A 4 TRP HA 1.0 . 4.28 54 53 A 9 LEU H A 7 GLY HAx 1.0 . 4.93 55 54 A 9 LEU H A 8 HIS HBx 1.0 . 4.04 56 55 A 4 TRP H A 3 HIS HBx 1.0 . 3.85 57 56 A 4 TRP H A 3 HIS HBy 1.0 . 3.85 58 57 A 8 HIS HA A 7 GLY H 1.0 . 4.87 59 58 A 6 VAL HA A 7 GLY H 1.0 . 3.14 60 59 A 8 HIS H A 6 VAL HA 1.0 . 4.25 61 60 A 5 ALA HB% A 2 ASN HBx 1.0 . 4.64 62 60 A 2 ASN HBy A 5 ALA HB% 1.0 . 4.64 63 61 A 6 VAL HG1% A 5 ALA HB% 1.0 . 4.34 64 62 A 4 TRP HA A 5 ALA HB% 1.0 . 4.44 65 63 A 4 TRP HA A 5 ALA HA 1.0 . 4.90 66 64 A 10 MET HE% A 9 LEU HBy 1.0 . 4.68 67 65 A 9 LEU HBy A 5 ALA HB% 1.0 . 5.45 68 66 A 10 MET HE% A 5 ALA HB% 1.0 . 4.69 69 67 A 8 HIS HBx A 5 ALA HA 1.0 . 5.10 70 68 A 6 VAL HA A 9 LEU HBy 1.0 . 4.99 71 69 A 6 VAL HA A 5 ALA HA 1.0 . 4.71 72 70 A 8 HIS HA A 7 GLY HAx 1.0 . 5.09 73 71 A 8 HIS HA A 7 GLY HAy 1.0 . 5.50 74 72 A 8 HIS HBx A 9 LEU HA 1.0 . 4.84 75 73 A 8 HIS HBy A 9 LEU HA 1.0 . 4.96 76 74 A 9 LEU HBx A 6 VAL HA 1.0 . 5.38 77 75 A 6 VAL HA A 5 ALA HB% 1.0 . 4.80 78 76 A 8 HIS HBx A 5 ALA HB% 1.0 . 4.88 79 77 A 8 HIS HBy A 5 ALA HB% 1.0 . 5.35 80 78 A 4 TRP HA A 6 VAL HG1% 1.0 . 4.67 81 79 A 6 VAL HG1% A 5 ALA HA 1.0 . 4.70 82 80 A 6 VAL HG2% A 5 ALA HA 1.0 . 5.09 83 81 A 5 ALA HB% A 4 TRP HE3 1.0 . 4.81 84 82 A 4 TRP HD1 A 5 ALA HA 1.0 . 5.50 85 83 A 4 TRP HD1 A 5 ALA HB% 1.0 . 4.94 86 84 A 9 LEU HBy A 8 HIS HD2 1.0 . 5.45 87 85 A 5 ALA HB% A 4 TRP HZ3 1.0 . 5.39 88 86 A 6 VAL HG1% A 3 HIS HD2 1.0 . 5.01 89 87 A 9 LEU HD1% A 8 HIS HD2 1.0 . 5.24 90 88 A 5 ALA HA A 4 TRP HZ3 1.0 . 5.50 91 89 A 8 HIS HD2 A 5 ALA HA 1.0 . 4.78 92 90 A 8 HIS HD2 A 7 GLY HAy 1.0 . 5.50 93 91 A 5 ALA HB% A 7 GLY H 1.0 . 4.86 94 92 A 4 TRP H A 6 VAL HG1% 1.0 . 5.50 95 93 A 5 ALA H A 6 VAL HG1% 1.0 . 5.50 96 94 A 5 ALA H A 6 VAL HG2% 1.0 . 4.87 97 95 A 4 TRP HD1 A 2 ASN HBx 1.0 . 4.95 98 95 A 2 ASN HBy A 4 TRP HD1 1.0 . 4.95 99 96 A 6 VAL H A 4 TRP HBx 1.0 . 5.15 100 97 A 6 VAL H A 4 TRP HBy 1.0 . 5.50 101 98 A 3 HIS H A 3 HIS HD2 1.0 . 4.93 102 99 A 7 GLY H A 8 HIS HE1 1.0 . 4.84 103 100 A 4 TRP H A 3 HIS HD2 1.0 . 5.45 104 101 A 5 ALA H A 4 TRP HZ3 1.0 . 5.50 105 102 A 7 GLY H A 5 ALA HA 1.0 . 4.85 106 103 A 4 TRP H A 4 TRP HE1 1.0 . 4.61 107 104 A 4 TRP H A 2 ASN HBx 1.0 . 4.36 108 104 A 2 ASN HBy A 4 TRP H 1.0 . 4.36 109 105 A 9 LEU HBx A 10 MET H 1.0 . 4.24 110 106 A 8 HIS H A 9 LEU HBy 1.0 . 4.56 111 107 A 10 MET H A 9 LEU HBy 1.0 . 4.70 112 108 A 10 MET HE% A 5 ALA HA 1.0 . 5.50 113 109 A 6 VAL HB A 7 GLY HAx 1.0 . 4.88 114 110 A 6 VAL HG2% A 7 GLY HAy 1.0 . 5.18 115 111 A 6 VAL HG2% A 7 GLY HAx 1.0 . 4.63 116 112 A 5 ALA HB% A 2 ASN HD2y 1.0 . 5.01 117 112 A 5 ALA HB% A 2 ASN HD2x 1.0 . 5.01 118 113 A 3 HIS H A 3 HIS HBy 1.0 . 3.54 119 113 A 3 HIS H A 3 HIS HBx 1.0 . 3.54 120 114 A 3 HIS HD2 A 3 HIS HBy 1.0 . 3.43 121 114 A 3 HIS HD2 A 3 HIS HBx 1.0 . 3.43 122 115 A 10 MET H A 10 MET HBy 1.0 . 3.42 123 115 A 10 MET H A 10 MET HBx 1.0 . 3.42 124 116 A 10 MET H A 10 MET HGy 1.0 . 4.18 125 116 A 10 MET H A 10 MET HGx 1.0 . 4.18 stop_ save_