data_nef_c25525_2n0h 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 25521 BMRB 25522 BMRB 25523 BMRB 25524 PDB 1C98 PDB 1C9A PDB 2N0H 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 HAy H 1 3.982 0.010 A 1 GLY HAx H 1 3.891 0.010 A 1 GLY CA C 13 43.675 0.100 A 2 ASN H H 1 8.651 0.012 A 2 ASN HA H 1 4.677 0.013 A 2 ASN HBy H 1 2.696 0.006 A 2 ASN HBx H 1 2.629 0.004 A 2 ASN HD2y H 1 7.527 0.011 A 2 ASN HD2x H 1 6.887 0.011 A 2 ASN CA C 13 53.638 0.100 A 2 ASN CB C 13 38.994 0.100 A 2 ASN N N 15 117.210 0.100 A 2 ASN ND2 N 15 112.852 0.100 A 3 HIS H H 1 8.572 0.014 A 3 HIS HA H 1 4.744 0.007 A 3 HIS HBx H 1 3.257 0.005 A 3 HIS HBy H 1 3.257 0.005 A 3 HIS HD2 H 1 7.282 0.011 A 3 HIS HE1 H 1 8.613 0.012 A 3 HIS CA C 13 56.023 0.100 A 3 HIS CB C 13 27.771 0.100 A 3 HIS CD2 C 13 120.603 0.100 A 3 HIS CE1 C 13 136.701 0.100 A 3 HIS N N 15 116.338 0.100 A 4 TRP H H 1 8.243 0.007 A 4 TRP HA H 1 4.424 0.004 A 4 TRP HBy H 1 3.337 0.004 A 4 TRP HBx H 1 3.283 0.004 A 4 TRP HD1 H 1 7.268 0.003 A 4 TRP HE1 H 1 10.040 0.003 A 4 TRP HE3 H 1 7.502 0.011 A 4 TRP HH2 H 1 7.006 0.010 A 4 TRP HZ2 H 1 7.421 0.011 A 4 TRP HZ3 H 1 6.977 0.011 A 4 TRP CA C 13 59.589 0.100 A 4 TRP CB C 13 30.326 0.100 A 4 TRP CD1 C 13 127.174 0.100 A 4 TRP CE3 C 13 120.552 0.100 A 4 TRP CH2 C 13 121.426 0.100 A 4 TRP CZ2 C 13 114.552 0.100 A 4 TRP CZ3 C 13 124.046 0.100 A 4 TRP N N 15 120.903 0.100 A 4 TRP NE1 N 15 128.468 0.100 A 5 ALA H H 1 8.468 0.012 A 5 ALA HA H 1 4.146 0.013 A 5 ALA HB% H 1 1.388 0.005 A 5 ALA CA C 13 53.903 0.100 A 5 ALA CB C 13 18.359 0.100 A 5 ALA N N 15 123.802 0.100 A 6 VAL H H 1 8.030 0.005 A 6 VAL HA H 1 3.753 0.011 A 6 VAL HB H 1 2.045 0.008 A 6 VAL HG1% H 1 1.037 0.011 A 6 VAL HG2% H 1 0.973 0.006 A 6 VAL CA C 13 65.042 0.100 A 6 VAL CB C 13 31.879 0.100 A 6 VAL CG1 C 13 22.002 0.100 A 6 VAL CG2 C 13 21.432 0.100 A 6 VAL N N 15 118.392 0.100 A 7 GLY H H 1 8.382 0.012 A 7 GLY HAy H 1 4.019 0.012 A 7 GLY HAx H 1 3.860 0.004 A 7 GLY CA C 13 46.250 0.100 A 7 GLY N N 15 108.913 0.100 A 8 HIS H H 1 7.982 0.006 A 8 HIS HA H 1 4.402 0.006 A 8 HIS HBy H 1 3.132 0.012 A 8 HIS HBx H 1 2.977 0.006 A 8 HIS HD2 H 1 7.069 0.012 A 8 HIS HE1 H 1 8.031 0.010 A 8 HIS CA C 13 55.580 0.100 A 8 HIS CB C 13 28.210 0.100 A 8 HIS CD2 C 13 120.093 0.100 A 8 HIS CE1 C 13 136.622 0.100 A 8 HIS N N 15 116.605 0.100 A 9 LEU H H 1 8.170 0.006 A 9 LEU HA H 1 4.269 0.004 A 9 LEU HBy H 1 1.839 0.004 A 9 LEU HBx H 1 1.562 0.009 A 9 LEU HD1% H 1 0.972 0.004 A 9 LEU HD2% H 1 0.916 0.005 A 9 LEU HG H 1 1.603 0.016 A 9 LEU CA C 13 56.511 0.100 A 9 LEU CB C 13 42.422 0.100 A 9 LEU CD1 C 13 25.375 0.100 A 9 LEU CD2 C 13 23.485 0.100 A 9 LEU CG C 13 27.045 0.100 A 9 LEU N N 15 119.102 0.100 A 10 MET H H 1 7.828 0.006 A 10 MET HA H 1 4.411 0.004 A 10 MET HBy H 1 2.162 0.004 A 10 MET HBx H 1 2.025 0.004 A 10 MET HE% H 1 2.084 0.010 A 10 MET HGy H 1 2.634 0.012 A 10 MET HGx H 1 2.525 0.011 A 10 MET CA C 13 57.859 0.100 A 10 MET CB C 13 33.032 0.100 A 10 MET CE C 13 17.049 0.100 A 10 MET CG C 13 32.550 0.100 A 10 MET N N 15 115.971 0.100 A 11 NH2 HNy H 1 7.206 0.012 A 11 NH2 HNx H 1 7.027 0.011 A 11 NH2 N N 15 105.670 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 HG1% 1.0 . 3.14 2 2 A 6 VAL H A 6 VAL HB 1.0 . 3.21 3 3 A 4 TRP H A 4 TRP HBx 1.0 . 3.38 4 4 A 3 HIS H A 3 HIS HBx 1.0 . 3.29 5 4 A 3 HIS H A 3 HIS HBy 1.0 . 3.29 6 5 A 2 ASN H A 2 ASN HBy 1.0 . 3.84 7 6 A 2 ASN H A 2 ASN HBx 1.0 . 3.84 8 7 A 9 LEU H A 9 LEU HBy 1.0 . 3.27 9 8 A 9 LEU H A 9 LEU HBx 1.0 . 3.86 10 9 A 8 HIS H A 8 HIS HBy 1.0 . 3.63 11 10 A 8 HIS H A 8 HIS HBx 1.0 . 3.63 12 11 A 10 MET H A 10 MET HBx 1.0 . 3.95 13 12 A 10 MET H A 10 MET HBy 1.0 . 3.95 14 13 A 10 MET H A 10 MET HGx 1.0 . 3.92 15 14 A 10 MET H A 10 MET HGy 1.0 . 3.92 16 15 A 6 VAL H A 6 VAL HG2% 1.0 . 3.89 17 16 A 9 LEU H A 9 LEU HD1% 1.0 . 4.20 18 17 A 9 LEU H A 9 LEU HG 1.0 . 3.44 19 18 A 4 TRP H A 4 TRP HBy 1.0 . 3.50 20 19 A 2 ASN H A 1 GLY HAy 1.0 . 3.32 21 20 A 2 ASN H A 1 GLY HAx 1.0 . 3.32 22 21 A 5 ALA H A 5 ALA HB% 1.0 . 3.32 23 22 A 9 LEU HG A 9 LEU HA 1.0 . 3.50 24 23 A 6 VAL HG1% A 6 VAL HA 1.0 . 3.25 25 24 A 6 VAL HG2% A 6 VAL HA 1.0 . 3.27 26 25 A 9 LEU HBx A 9 LEU HD1% 1.0 . 3.60 27 26 A 9 LEU HBx A 9 LEU HD2% 1.0 . 3.45 28 27 A 9 LEU HBy A 9 LEU HD2% 1.0 . 3.75 29 28 A 9 LEU HA A 9 LEU HD2% 1.0 . 2.95 30 29 A 9 LEU HD1% A 9 LEU HA 1.0 . 4.01 31 30 A 3 HIS HD2 A 3 HIS HBx 1.0 . 3.33 32 30 A 3 HIS HBy A 3 HIS HD2 1.0 . 3.33 33 31 A 9 LEU HBy A 9 LEU HD1% 1.0 . 3.53 34 32 A 8 HIS H A 7 GLY H 1.0 . 3.56 35 33 A 6 VAL H A 7 GLY H 1.0 . 3.50 36 34 A 9 LEU H A 8 HIS H 1.0 . 3.43 37 35 A 4 TRP H A 3 HIS H 1.0 . 3.70 38 36 A 4 TRP H A 5 ALA H 1.0 . 4.08 39 37 A 9 LEU H A 10 MET H 1.0 . 3.27 40 38 A 9 LEU H A 7 GLY H 1.0 . 4.52 41 39 A 6 VAL H A 5 ALA H 1.0 . 3.69 42 40 A 8 HIS H A 10 MET H 1.0 . 4.24 43 41 A 6 VAL HB A 7 GLY H 1.0 . 4.18 44 42 A 6 VAL HG2% A 7 GLY H 1.0 . 4.14 45 43 A 6 VAL HG1% A 7 GLY H 1.0 . 4.57 46 44 A 4 TRP H A 3 HIS HA 1.0 . 3.54 47 45 A 9 LEU H A 8 HIS HBy 1.0 . 4.31 48 46 A 9 LEU H A 8 HIS HBx 1.0 . 4.31 49 47 A 6 VAL H A 5 ALA HA 1.0 . 3.50 50 48 A 6 VAL H A 5 ALA HB% 1.0 . 3.65 51 49 A 8 HIS H A 6 VAL HA 1.0 . 4.30 52 50 A 8 HIS H A 5 ALA HA 1.0 . 4.44 53 51 A 9 LEU HBy A 10 MET H 1.0 . 3.71 54 52 A 9 LEU HBx A 10 MET H 1.0 . 4.12 55 53 A 3 HIS H A 2 ASN HBy 1.0 . 4.72 56 54 A 3 HIS H A 2 ASN HBx 1.0 . 4.72 57 55 A 6 VAL H A 3 HIS HBx 1.0 . 4.36 58 55 A 6 VAL H A 3 HIS HBy 1.0 . 4.36 59 56 A 6 VAL HB A 3 HIS HBx 1.0 . 4.14 60 56 A 6 VAL HB A 3 HIS HBy 1.0 . 4.14 61 57 A 6 VAL HG2% A 3 HIS HBx 1.0 . 4.37 62 57 A 3 HIS HBy A 6 VAL HG2% 1.0 . 4.37 63 58 A 6 VAL HG2% A 10 MET HGx 1.0 . 4.66 64 59 A 6 VAL HG2% A 10 MET HGy 1.0 . 4.66 65 60 A 9 LEU HBy A 6 VAL HA 1.0 . 4.62 66 61 A 9 LEU HG A 6 VAL HA 1.0 . 4.77 67 62 A 5 ALA HB% A 6 VAL HA 1.0 . 4.69 68 63 A 9 LEU HBy A 9 LEU HG 1.0 . 2.77 69 64 A 5 ALA HB% A 4 TRP HA 1.0 . 5.18 70 65 A 5 ALA HA A 4 TRP HA 1.0 . 5.09 71 66 A 6 VAL HG1% A 3 HIS HBx 1.0 . 3.94 72 66 A 6 VAL HG1% A 3 HIS HBy 1.0 . 3.94 73 67 A 6 VAL HG1% A 5 ALA HA 1.0 . 4.94 74 68 A 6 VAL HG2% A 7 GLY HAx 1.0 . 4.78 75 69 A 9 LEU HA A 8 HIS HA 1.0 . 5.09 76 70 A 9 LEU HA A 10 MET HA 1.0 . 5.46 77 71 A 4 TRP HBx A 5 ALA H 1.0 . 4.31 78 72 A 4 TRP HBy A 5 ALA H 1.0 . 4.39 79 73 A 3 HIS HD2 A 3 HIS HA 1.0 . 4.07 80 74 A 4 TRP HA A 4 TRP HD1 1.0 . 3.70 81 75 A 6 VAL HA A 3 HIS HD2 1.0 . 4.38 82 76 A 4 TRP HA A 4 TRP HE3 1.0 . 4.38 83 77 A 5 ALA HA A 4 TRP HE3 1.0 . 3.66 84 78 A 5 ALA HB% A 4 TRP HE3 1.0 . 3.76 85 79 A 8 HIS HA A 8 HIS HD2 1.0 . 4.88 86 80 A 9 LEU HD2% A 8 HIS HD2 1.0 . 4.18 87 81 A 10 MET H A 9 LEU HG 1.0 . 4.11 88 82 A 5 ALA H A 4 TRP HE3 1.0 . 4.22 89 83 A 4 TRP H A 4 TRP HE3 1.0 . 4.64 90 84 A 4 TRP H A 3 HIS HD2 1.0 . 4.51 91 85 A 6 VAL H A 3 HIS HD2 1.0 . 4.64 92 86 A 6 VAL H A 4 TRP HE3 1.0 . 4.99 93 87 A 9 LEU H A 9 LEU HD2% 1.0 . 4.38 94 88 A 10 MET H A 6 VAL HG2% 1.0 . 4.28 95 89 A 10 MET H A 9 LEU HD1% 1.0 . 4.72 96 90 A 10 MET H A 9 LEU HD2% 1.0 . 4.59 97 91 A 6 VAL HG1% A 3 HIS HD2 1.0 . 4.35 98 92 A 8 HIS H A 8 HIS HD2 1.0 . 5.06 99 93 A 3 HIS H A 2 ASN HA 1.0 . 3.54 100 94 A 3 HIS H A 1 GLY HAy 1.0 . 5.17 101 95 A 3 HIS H A 1 GLY HAx 1.0 . 5.17 102 96 A 7 GLY H A 5 ALA HA 1.0 . 4.94 103 97 A 7 GLY H A 4 TRP HA 1.0 . 5.33 104 98 A 7 GLY H A 3 HIS HBx 1.0 . 5.50 105 98 A 3 HIS HBy A 7 GLY H 1.0 . 5.50 106 99 A 4 TRP HBx A 7 GLY H 1.0 . 5.50 107 100 A 4 TRP H A 5 ALA HB% 1.0 . 5.24 108 101 A 9 LEU H A 7 GLY HAx 1.0 . 5.31 109 102 A 9 LEU H A 7 GLY HAy 1.0 . 5.31 110 103 A 9 LEU H A 6 VAL HA 1.0 . 4.56 111 104 A 10 MET H A 6 VAL HA 1.0 . 5.08 112 105 A 4 TRP HBx A 4 TRP HE3 1.0 . 3.54 113 106 A 9 LEU HA A 8 HIS HD2 1.0 . 5.24 114 107 A 5 ALA HA A 8 HIS HD2 1.0 . 5.50 115 108 A 9 LEU HG A 8 HIS HD2 1.0 . 5.08 116 109 A 5 ALA HA A 4 TRP HZ3 1.0 . 4.81 117 110 A 4 TRP HBx A 4 TRP HZ3 1.0 . 5.35 118 111 A 5 ALA HB% A 4 TRP HZ3 1.0 . 4.74 119 112 A 6 VAL HG2% A 10 MET HA 1.0 . 5.41 120 113 A 4 TRP HBx A 5 ALA HA 1.0 . 5.16 121 114 A 5 ALA HA A 8 HIS HBy 1.0 . 5.02 122 115 A 5 ALA HA A 8 HIS HBx 1.0 . 5.02 123 116 A 9 LEU HD1% A 5 ALA HA 1.0 . 5.28 124 117 A 6 VAL HG2% A 7 GLY HAy 1.0 . 4.78 125 118 A 9 LEU HG A 8 HIS HA 1.0 . 5.11 126 119 A 4 TRP HBx A 5 ALA HB% 1.0 . 4.74 127 120 A 5 ALA HB% A 8 HIS HBy 1.0 . 4.87 128 121 A 5 ALA HB% A 8 HIS HBx 1.0 . 4.87 129 122 A 3 HIS H A 1 GLY HAx 1.0 . 4.43 130 122 A 3 HIS H A 1 GLY HAy 1.0 . 4.43 131 123 A 2 ASN H A 2 ASN HBx 1.0 . 3.23 132 123 A 2 ASN H A 2 ASN HBy 1.0 . 3.23 133 124 A 2 ASN H A 2 ASN HD2x 1.0 . 4.57 134 124 A 2 ASN H A 2 ASN HD2y 1.0 . 4.57 135 125 A 2 ASN HBx A 2 ASN HD2x 1.0 . 3.07 136 125 A 2 ASN HBy A 2 ASN HD2x 1.0 . 3.07 137 125 A 2 ASN HD2y A 2 ASN HBx 1.0 . 3.07 138 125 A 2 ASN HBy A 2 ASN HD2y 1.0 . 3.07 139 126 A 3 HIS H A 2 ASN HBx 1.0 . 4.12 140 126 A 3 HIS H A 2 ASN HBy 1.0 . 4.12 141 127 A 5 ALA HA A 8 HIS HBx 1.0 . 4.42 142 127 A 5 ALA HA A 8 HIS HBy 1.0 . 4.42 143 128 A 5 ALA HB% A 8 HIS HBx 1.0 . 4.16 144 128 A 5 ALA HB% A 8 HIS HBy 1.0 . 4.16 145 129 A 6 VAL HG1% A 7 GLY HAx 1.0 . 4.69 146 129 A 6 VAL HG1% A 7 GLY HAy 1.0 . 4.69 147 130 A 6 VAL HG2% A 7 GLY HAx 1.0 . 4.08 148 130 A 6 VAL HG2% A 7 GLY HAy 1.0 . 4.08 149 131 A 9 LEU H A 7 GLY HAx 1.0 . 4.63 150 131 A 9 LEU H A 7 GLY HAy 1.0 . 4.63 151 132 A 10 MET H A 7 GLY HAx 1.0 . 4.68 152 132 A 10 MET H A 7 GLY HAy 1.0 . 4.68 153 133 A 8 HIS H A 8 HIS HBx 1.0 . 3.17 154 133 A 8 HIS H A 8 HIS HBy 1.0 . 3.17 155 134 A 9 LEU H A 8 HIS HBx 1.0 . 3.77 156 134 A 9 LEU H A 8 HIS HBy 1.0 . 3.77 157 135 A 9 LEU HG A 8 HIS HBx 1.0 . 5.21 158 135 A 9 LEU HG A 8 HIS HBy 1.0 . 5.21 159 136 A 9 LEU HD1% A 10 MET HGx 1.0 . 5.21 160 136 A 9 LEU HD1% A 10 MET HGy 1.0 . 5.21 161 137 A 10 MET H A 10 MET HBx 1.0 . 3.20 162 137 A 10 MET H A 10 MET HBy 1.0 . 3.20 163 138 A 10 MET HA A 10 MET HGx 1.0 . 3.71 164 138 A 10 MET HA A 10 MET HGy 1.0 . 3.71 stop_ save_