data_nef_c25519_2n0b 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 25520 BMRB 25521 BMRB 25522 BMRB 25523 BMRB 25524 BMRB 25525 PDB 1C98 PDB 1C9A PDB 2N0B 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 3.804 0.010 A 1 GLY HAy H 1 3.804 0.010 A 1 GLY CA C 13 43.286 0.100 A 2 ASN H H 1 8.681 0.010 A 2 ASN HA H 1 4.617 0.010 A 2 ASN HBy H 1 2.549 0.010 A 2 ASN HBx H 1 2.498 0.010 A 2 ASN HD2y H 1 7.536 0.011 A 2 ASN HD2x H 1 6.934 0.010 A 2 ASN CA C 13 53.095 0.100 A 2 ASN CB C 13 38.985 0.100 A 2 ASN N N 15 118.375 0.100 A 2 ASN ND2 N 15 113.295 0.100 A 3 HIS H H 1 8.584 0.010 A 3 HIS HA H 1 4.607 0.010 A 3 HIS HBx H 1 3.057 0.010 A 3 HIS HBy H 1 3.111 0.010 A 3 HIS HD2 H 1 7.083 0.010 A 3 HIS HE1 H 1 8.419 0.010 A 3 HIS CA C 13 55.634 0.100 A 3 HIS CB C 13 28.993 0.100 A 3 HIS CD2 C 13 120.125 0.100 A 3 HIS CE1 C 13 136.611 0.100 A 3 HIS N N 15 119.590 0.100 A 4 TRP H H 1 8.171 0.010 A 4 TRP HA H 1 4.667 0.010 A 4 TRP HBy H 1 3.250 0.010 A 4 TRP HBx H 1 3.166 0.010 A 4 TRP HD1 H 1 7.206 0.010 A 4 TRP HE1 H 1 10.145 0.010 A 4 TRP HE3 H 1 7.555 0.010 A 4 TRP HH2 H 1 7.232 0.010 A 4 TRP HZ2 H 1 7.474 0.010 A 4 TRP HZ3 H 1 7.128 0.010 A 4 TRP CA C 13 57.176 0.100 A 4 TRP CB C 13 29.948 0.100 A 4 TRP CD1 C 13 127.286 0.100 A 4 TRP CE3 C 13 120.972 0.100 A 4 TRP CH2 C 13 124.938 0.100 A 4 TRP CZ2 C 13 114.709 0.100 A 4 TRP CZ3 C 13 122.148 0.100 A 4 TRP N N 15 122.380 0.100 A 4 TRP NE1 N 15 129.249 0.100 A 5 ALA H H 1 8.271 0.010 A 5 ALA HA H 1 4.314 0.010 A 5 ALA HB% H 1 1.321 0.010 A 5 ALA CA C 13 52.236 0.100 A 5 ALA CB C 13 19.605 0.100 A 5 ALA N N 15 125.787 0.100 A 6 VAL H H 1 8.133 0.010 A 6 VAL HA H 1 3.990 0.010 A 6 VAL HB H 1 2.047 0.010 A 6 VAL HGx% H 1 0.975 0.010 A 6 VAL HGy% H 1 0.946 0.010 A 6 VAL CA C 13 62.944 0.100 A 6 VAL CB C 13 32.564 0.100 A 6 VAL CG1 C 13 20.864 0.100 A 6 VAL CG2 C 13 21.036 0.100 A 6 VAL N N 15 119.815 0.100 A 7 GLY H H 1 8.546 0.010 A 7 GLY HAx H 1 3.900 0.010 A 7 GLY HAy H 1 3.943 0.010 A 7 GLY CA C 13 45.117 0.100 A 7 GLY N N 15 112.470 0.100 A 8 HIS H H 1 8.316 0.011 A 8 HIS HA H 1 4.617 0.010 A 8 HIS HBy H 1 3.222 0.010 A 8 HIS HBx H 1 3.113 0.010 A 8 HIS HD2 H 1 7.145 0.010 A 8 HIS HE1 H 1 8.432 0.010 A 8 HIS CA C 13 55.447 0.100 A 8 HIS CB C 13 29.234 0.100 A 8 HIS CD2 C 13 120.181 0.100 A 8 HIS CE1 C 13 136.607 0.100 A 8 HIS N N 15 118.586 0.100 A 9 LEU H H 1 8.397 0.010 A 9 LEU HA H 1 4.290 0.010 A 9 LEU HBy H 1 1.609 0.010 A 9 LEU HBx H 1 1.532 0.010 A 9 LEU HDx% H 1 0.890 0.010 A 9 LEU HDy% H 1 0.844 0.010 A 9 LEU HG H 1 1.538 0.010 A 9 LEU CA C 13 55.396 0.100 A 9 LEU CB C 13 42.197 0.100 A 9 LEU CD1 C 13 24.829 0.100 A 9 LEU CD2 C 13 23.475 0.100 A 9 LEU CG C 13 26.985 0.100 A 9 LEU N N 15 123.950 0.100 A 10 MET H H 1 8.428 0.010 A 10 MET HA H 1 4.402 0.010 A 10 MET HBy H 1 2.069 0.010 A 10 MET HBx H 1 1.965 0.010 A 10 MET HE% H 1 2.082 0.010 A 10 MET HGx H 1 2.496 0.010 A 10 MET HGy H 1 2.591 0.010 A 10 MET CA C 13 55.093 0.100 A 10 MET CB C 13 32.799 0.100 A 10 MET CE C 13 16.801 0.100 A 10 MET CG C 13 32.174 0.100 A 10 MET N N 15 121.757 0.100 A 11 NH2 HNy H 1 7.548 0.010 A 11 NH2 HNx H 1 7.154 0.012 A 11 NH2 N N 15 108.266 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 5 ALA H A 5 ALA HB% 1.0 . 3.62 2 2 A 6 VAL H A 6 VAL HB 1.0 . 3.45 3 3 A 6 VAL H A 6 VAL HGx% 1.0 . 4.68 4 4 A 6 VAL H A 6 VAL HGy% 1.0 . 4.68 5 5 A 4 TRP H A 4 TRP HBy 1.0 . 3.79 6 6 A 4 TRP H A 4 TRP HBx 1.0 . 3.79 7 7 A 8 HIS H A 8 HIS HBy 1.0 . 4.13 8 8 A 8 HIS H A 8 HIS HBx 1.0 . 4.13 9 9 A 8 HIS H A 7 GLY H 1.0 . 4.19 10 10 A 6 VAL H A 7 GLY H 1.0 . 3.95 11 11 A 7 GLY H A 9 LEU H 1.0 . 4.20 12 12 A 5 ALA H A 6 VAL H 1.0 . 3.84 13 13 A 5 ALA H A 4 TRP H 1.0 . 3.45 14 14 A 5 ALA H A 4 TRP HE3 1.0 . 4.74 15 15 A 4 TRP H A 4 TRP HE3 1.0 . 5.13 16 16 A 4 TRP H A 4 TRP HD1 1.0 . 4.55 17 17 A 5 ALA H A 4 TRP HD1 1.0 . 5.40 18 18 A 7 GLY H A 5 ALA HA 1.0 . 5.32 19 19 A 7 GLY H A 8 HIS HA 1.0 . 5.50 20 20 A 6 VAL HB A 7 GLY H 1.0 . 4.22 21 21 A 5 ALA HB% A 7 GLY H 1.0 . 5.11 22 22 A 9 LEU H A 8 HIS HA 1.0 . 3.12 23 23 A 9 LEU H A 8 HIS HBy 1.0 . 4.79 24 24 A 9 LEU H A 8 HIS HBx 1.0 . 4.79 25 25 A 6 VAL H A 5 ALA HA 1.0 . 2.87 26 26 A 5 ALA H A 4 TRP HBy 1.0 . 4.18 27 27 A 5 ALA H A 4 TRP HBx 1.0 . 4.18 28 28 A 4 TRP H A 3 HIS HA 1.0 . 3.08 29 29 A 5 ALA HB% A 6 VAL H 1.0 . 4.14 30 30 A 4 TRP HE3 A 4 TRP HA 1.0 . 3.97 31 31 A 4 TRP HE3 A 5 ALA HA 1.0 . 4.86 32 32 A 4 TRP HD1 A 4 TRP HA 1.0 . 4.31 33 33 A 4 TRP HD1 A 4 TRP HBy 1.0 . 3.74 34 34 A 4 TRP HD1 A 4 TRP HBx 1.0 . 3.74 35 35 A 5 ALA HA A 6 VAL HA 1.0 . 5.09 36 36 A 5 ALA HA A 4 TRP HA 1.0 . 4.96 37 37 A 5 ALA HB% A 6 VAL HA 1.0 . 5.29 38 38 A 6 VAL HB A 5 ALA HA 1.0 . 5.03 39 39 A 5 ALA HA A 6 VAL HGx% 1.0 . 5.50 40 40 A 5 ALA HA A 6 VAL HGy% 1.0 . 5.50 41 41 A 4 TRP H A 4 TRP HBx 1.0 . 3.24 42 41 A 4 TRP H A 4 TRP HBy 1.0 . 3.24 43 42 A 4 TRP HD1 A 4 TRP HBx 1.0 . 3.22 44 42 A 4 TRP HD1 A 4 TRP HBy 1.0 . 3.22 45 43 A 4 TRP HE3 A 4 TRP HBx 1.0 . 3.58 46 43 A 4 TRP HE3 A 4 TRP HBy 1.0 . 3.58 47 44 A 5 ALA H A 4 TRP HBx 1.0 . 3.64 48 44 A 5 ALA H A 4 TRP HBy 1.0 . 3.64 49 45 A 6 VAL H A 6 VAL HGx% 1.0 . 4.00 50 45 A 6 VAL H A 6 VAL HGy% 1.0 . 4.00 51 46 A 7 GLY H A 6 VAL HGx% 1.0 . 4.46 52 46 A 7 GLY H A 6 VAL HGy% 1.0 . 4.46 53 47 A 6 VAL HGx% A 7 GLY HAx 1.0 . 4.87 54 47 A 7 GLY HAy A 6 VAL HGx% 1.0 . 4.87 55 47 A 6 VAL HGy% A 7 GLY HAy 1.0 . 4.87 56 47 A 6 VAL HGy% A 7 GLY HAx 1.0 . 4.87 57 48 A 8 HIS H A 8 HIS HBx 1.0 . 3.60 58 48 A 8 HIS H A 8 HIS HBy 1.0 . 3.60 59 49 A 9 LEU H A 8 HIS HBx 1.0 . 4.20 60 49 A 9 LEU H A 8 HIS HBy 1.0 . 4.20 61 50 A 9 LEU H A 9 LEU HBy 1.0 . 3.60 62 50 A 9 LEU H A 9 LEU HBx 1.0 . 3.60 stop_ save_