data_nef_c25520_2n0c 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 25521 BMRB 25522 BMRB 25523 BMRB 25524 BMRB 25525 PDB 1C98 PDB 1C9A PDB 2N0C 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 3.808 0.010 A 1 GLY HAy H 1 3.808 0.010 A 1 GLY CA C 13 43.357 0.100 A 2 ASN H H 1 8.660 0.010 A 2 ASN HA H 1 4.638 0.010 A 2 ASN HBx H 1 2.546 0.010 A 2 ASN HBy H 1 2.546 0.010 A 2 ASN HD2x H 1 6.906 0.010 A 2 ASN HD2y H 1 7.536 0.013 A 2 ASN CA C 13 53.289 0.100 A 2 ASN CB C 13 38.910 0.100 A 2 ASN N N 15 118.479 0.100 A 2 ASN ND2 N 15 113.171 0.100 A 3 HIS H H 1 8.574 0.010 A 3 HIS HA H 1 4.608 0.010 A 3 HIS HBx H 1 3.061 0.010 A 3 HIS HBy H 1 3.127 0.010 A 3 HIS HD2 H 1 7.095 0.011 A 3 HIS HE1 H 1 8.466 0.010 A 3 HIS CA C 13 55.510 0.100 A 3 HIS CB C 13 28.993 0.100 A 3 HIS CD2 C 13 120.143 0.100 A 3 HIS CE1 C 13 136.446 0.100 A 3 HIS N N 15 119.562 0.100 A 4 TRP H H 1 8.151 0.011 A 4 TRP HA H 1 4.667 0.010 A 4 TRP HB2 H 1 3.183 0.010 A 4 TRP HB3 H 1 3.270 0.010 A 4 TRP HD1 H 1 7.217 0.010 A 4 TRP HE1 H 1 10.135 0.010 A 4 TRP HE3 H 1 7.569 0.011 A 4 TRP HH2 H 1 7.228 0.010 A 4 TRP HZ2 H 1 7.469 0.010 A 4 TRP HZ3 H 1 7.136 0.010 A 4 TRP CA C 13 57.294 0.100 A 4 TRP CB C 13 29.991 0.100 A 4 TRP CD1 C 13 127.390 0.100 A 4 TRP CE3 C 13 120.954 0.100 A 4 TRP CH2 C 13 124.780 0.100 A 4 TRP CZ2 C 13 114.695 0.100 A 4 TRP CZ3 C 13 122.145 0.100 A 4 TRP N N 15 122.216 0.100 A 4 TRP NE1 N 15 129.298 0.100 A 5 ALA H H 1 8.227 0.010 A 5 ALA HA H 1 4.318 0.010 A 5 ALA HB% H 1 1.325 0.010 A 5 ALA CA C 13 52.482 0.100 A 5 ALA CB C 13 19.435 0.100 A 5 ALA N N 15 125.699 0.100 A 6 VAL H H 1 8.062 0.010 A 6 VAL HA H 1 3.999 0.010 A 6 VAL HB H 1 2.059 0.010 A 6 VAL HGx% H 1 0.980 0.010 A 6 VAL HGy% H 1 0.940 0.010 A 6 VAL CA C 13 62.981 0.100 A 6 VAL CB C 13 32.674 0.100 A 6 VAL CG1 C 13 20.770 0.100 A 6 VAL CG2 C 13 21.114 0.100 A 6 VAL N N 15 119.498 0.100 A 7 GLY H H 1 8.486 0.010 A 7 GLY HAx H 1 3.902 0.010 A 7 GLY HAy H 1 3.902 0.010 A 7 GLY CA C 13 45.167 0.100 A 7 GLY N N 15 112.204 0.100 A 8 HIS H H 1 8.277 0.010 A 8 HIS HA H 1 4.636 0.010 A 8 HIS HB2 H 1 3.233 0.010 A 8 HIS HB3 H 1 3.104 0.010 A 8 HIS HD2 H 1 7.173 0.010 A 8 HIS HE1 H 1 8.478 0.010 A 8 HIS CA C 13 55.510 0.100 A 8 HIS CB C 13 29.004 0.100 A 8 HIS CD2 C 13 120.168 0.100 A 8 HIS CE1 C 13 136.444 0.100 A 8 HIS N N 15 118.178 0.100 A 9 LEU H H 1 8.359 0.010 A 9 LEU HA H 1 4.304 0.010 A 9 LEU HB2 H 1 1.555 0.010 A 9 LEU HB3 H 1 1.626 0.010 A 9 LEU HDx% H 1 0.903 0.010 A 9 LEU HDy% H 1 0.850 0.010 A 9 LEU HG H 1 1.569 0.010 A 9 LEU CA C 13 55.544 0.100 A 9 LEU CB C 13 42.220 0.100 A 9 LEU CD1 C 13 24.896 0.100 A 9 LEU CD2 C 13 23.465 0.100 A 9 LEU CG C 13 26.821 0.100 A 9 LEU N N 15 121.616 0.100 A 10 MET H H 1 8.359 0.011 A 10 MET HA H 1 4.428 0.010 A 10 MET HB2 H 1 2.088 0.010 A 10 MET HB3 H 1 1.984 0.010 A 10 MET HE% H 1 2.085 0.010 A 10 MET HG2 H 1 2.587 0.010 A 10 MET HG3 H 1 2.502 0.010 A 10 MET CA C 13 55.207 0.100 A 10 MET CB C 13 32.872 0.100 A 10 MET CE C 13 16.738 0.100 A 10 MET CG C 13 32.047 0.100 A 10 MET N N 15 123.702 0.100 A 11 NH2 HN1 H 1 7.525 0.010 A 11 NH2 HN2 H 1 7.121 0.010 A 11 NH2 N N 15 108.064 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 . 3.34 2 2 A 6 VAL H A 6 VAL HGx% 1.0 . 4.14 3 3 A 5 ALA H A 5 ALA HB% 1.0 . 3.30 4 4 A 8 HIS H A 8 HIS HB2 1.0 . 3.85 5 5 A 8 HIS H A 8 HIS HB3 1.0 . 3.85 6 6 A 9 LEU HA A 10 MET H 1.0 . 3.53 7 7 A 9 LEU H A 9 LEU HB2 1.0 . 3.90 8 8 A 9 LEU H A 9 LEU HDx% 1.0 . 5.50 9 9 A 10 MET H A 9 LEU HDx% 1.0 . 5.50 10 10 A 9 LEU H A 9 LEU HB3 1.0 . 3.90 11 11 A 4 TRP H A 4 TRP HB2 1.0 . 3.56 12 12 A 4 TRP H A 4 TRP HB3 1.0 . 3.56 13 13 A 6 VAL H A 6 VAL HGy% 1.0 . 4.14 14 14 A 9 LEU H A 9 LEU HDy% 1.0 . 5.50 15 15 A 10 MET H A 9 LEU HDy% 1.0 . 5.50 16 16 A 4 TRP H A 4 TRP HD1 1.0 . 4.32 17 17 A 7 GLY H A 6 VAL HGx% 1.0 . 4.35 18 18 A 6 VAL H A 5 ALA HB% 1.0 . 3.86 19 19 A 9 LEU H A 8 HIS HA 1.0 . 3.07 20 20 A 8 HIS H A 7 GLY HAx 1.0 . 3.29 21 20 A 8 HIS H A 7 GLY HAy 1.0 . 3.29 22 21 A 6 VAL H A 5 ALA HA 1.0 . 2.82 23 22 A 4 TRP H A 3 HIS HA 1.0 . 2.95 24 23 A 7 GLY H A 6 VAL HA 1.0 . 2.80 25 24 A 3 HIS H A 2 ASN HBx 1.0 . 4.98 26 24 A 2 ASN HBy A 3 HIS H 1.0 . 4.98 27 25 A 4 TRP H A 3 HIS HBy 1.0 . 4.66 28 26 A 5 ALA H A 4 TRP HB2 1.0 . 3.99 29 27 A 5 ALA H A 4 TRP HB3 1.0 . 3.99 30 28 A 5 ALA HB% A 8 HIS HE1 1.0 . 5.26 31 29 A 5 ALA HA A 8 HIS HE1 1.0 . 5.07 32 30 A 7 GLY H A 8 HIS HA 1.0 . 5.50 33 31 A 8 HIS HA A 8 HIS HE1 1.0 . 5.50 34 32 A 9 LEU H A 8 HIS HB2 1.0 . 4.80 35 33 A 9 LEU H A 8 HIS HB3 1.0 . 4.80 36 34 A 4 TRP H A 3 HIS H 1.0 . 4.11 37 35 A 4 TRP H A 4 TRP HE3 1.0 . 4.95 38 36 A 5 ALA H A 4 TRP HD1 1.0 . 5.38 39 37 A 6 VAL H A 5 ALA H 1.0 . 4.10 40 38 A 5 ALA H A 4 TRP H 1.0 . 3.47 41 39 A 6 VAL H A 7 GLY H 1.0 . 4.53 42 40 A 8 HIS H A 7 GLY H 1.0 . 3.63 43 41 A 8 HIS H A 8 HIS HD2 1.0 . 5.14 44 42 A 8 HIS H A 9 LEU H 1.0 . 3.36 45 43 A 5 ALA H A 4 TRP HE3 1.0 . 4.75 46 44 A 4 TRP HE3 A 4 TRP HA 1.0 . 3.89 47 45 A 5 ALA HA A 4 TRP HE3 1.0 . 5.04 48 46 A 6 VAL HA A 6 VAL HGx% 1.0 . 3.73 49 47 A 6 VAL HA A 6 VAL HGy% 1.0 . 3.73 50 48 A 7 GLY H A 6 VAL HGy% 1.0 . 4.35 51 49 A 4 TRP H A 3 HIS HBx 1.0 . 4.66 52 50 A 6 VAL HB A 7 GLY H 1.0 . 4.25 53 51 A 4 TRP HD1 A 4 TRP HB2 1.0 . 3.77 54 52 A 4 TRP HD1 A 4 TRP HB3 1.0 . 3.77 55 53 A 5 ALA HB% A 4 TRP HA 1.0 . 4.67 56 54 A 6 VAL HB A 5 ALA HA 1.0 . 5.07 57 55 A 5 ALA HA A 4 TRP HA 1.0 . 4.70 58 56 A 4 TRP HD1 A 4 TRP HA 1.0 . 4.46 59 57 A 6 VAL HB A 5 ALA HB% 1.0 . 5.40 60 58 A 5 ALA HB% A 6 VAL HGx% 1.0 . 5.38 61 59 A 5 ALA HB% A 6 VAL HGy% 1.0 . 5.38 62 60 A 5 ALA HA A 6 VAL HA 1.0 . 4.60 63 61 A 5 ALA HB% A 6 VAL HA 1.0 . 5.24 64 62 A 4 TRP H A 4 TRP HB3 1.0 . 3.05 65 62 A 4 TRP H A 4 TRP HB2 1.0 . 3.05 66 63 A 4 TRP HD1 A 4 TRP HB3 1.0 . 3.28 67 63 A 4 TRP HD1 A 4 TRP HB2 1.0 . 3.28 68 64 A 4 TRP HE3 A 4 TRP HB3 1.0 . 3.58 69 64 A 4 TRP HE3 A 4 TRP HB2 1.0 . 3.58 70 65 A 5 ALA H A 4 TRP HB3 1.0 . 3.49 71 65 A 5 ALA H A 4 TRP HB2 1.0 . 3.49 72 66 A 5 ALA HA A 6 VAL HGx% 1.0 . 5.44 73 66 A 5 ALA HA A 6 VAL HGy% 1.0 . 5.44 74 67 A 5 ALA HB% A 6 VAL HGx% 1.0 . 4.53 75 67 A 5 ALA HB% A 6 VAL HGy% 1.0 . 4.53 76 68 A 6 VAL H A 6 VAL HGx% 1.0 . 3.40 77 68 A 6 VAL H A 6 VAL HGy% 1.0 . 3.40 78 69 A 7 GLY H A 6 VAL HGx% 1.0 . 3.81 79 69 A 7 GLY H A 6 VAL HGy% 1.0 . 3.81 80 70 A 8 HIS H A 8 HIS HB3 1.0 . 3.38 81 70 A 8 HIS H A 8 HIS HB2 1.0 . 3.38 82 71 A 9 LEU H A 8 HIS HB3 1.0 . 4.13 83 71 A 9 LEU H A 8 HIS HB2 1.0 . 4.13 84 72 A 9 LEU H A 9 LEU HB2 1.0 . 3.34 85 72 A 9 LEU H A 9 LEU HB3 1.0 . 3.34 86 73 A 10 MET H A 9 LEU HB2 1.0 . 4.14 87 73 A 10 MET H A 9 LEU HB3 1.0 . 4.14 stop_ save_