data_nef_c19556_2mfo 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 PDB 2mfo BMRB 19555 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 3 GLN C 1 4 HZP N 1 4 HZP C 1 5 THR N 1 10 SER C 1 11 HZP N 1 11 HZP C 1 12 GLY 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 ALA start . . 2 A 2 PHE middle . . 3 A 3 GLN middle . . 4 A 4 HZP middle . . 5 A 5 THR middle . . 6 A 6 THR middle . . 7 A 7 PRO middle . false 8 A 8 GLY middle . false 9 A 9 ASN middle . . 10 A 10 SER middle . . 11 A 11 HZP middle . . 12 A 12 GLY middle . false 13 A 13 VAL middle . . 14 A 14 GLY middle . false 15 A 15 HIS 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 ALA H1 H 1 8.0238 0.03 A 1 ALA HA H 1 4.0510 0.03 A 1 ALA HB% H 1 1.1448 0.03 A 1 ALA N N 15 116.9638 0.10 A 2 PHE H H 1 8.6275 0.03 A 2 PHE HA H 1 4.6047 0.03 A 2 PHE HBy H 1 3.0366 0.03 A 2 PHE HBx H 1 2.3461 0.03 A 2 PHE HDy H 1 7.2332 0.03 A 2 PHE HEy H 1 7.3442 0.03 A 2 PHE HZ H 1 7.2965 0.03 A 2 PHE CB C 13 39.8325 0.10 A 2 PHE CD2 C 13 131.8458 0.10 A 2 PHE CE2 C 13 131.6231 0.10 A 2 PHE CZ C 13 130.0700 0.10 A 2 PHE N N 15 120.3495 0.10 A 3 GLN H H 1 8.2509 0.03 A 3 GLN HA H 1 4.6024 0.03 A 3 GLN HBx H 1 2.3076 0.03 A 3 GLN HE2y H 1 7.4719 0.03 A 3 GLN HE2x H 1 6.8568 0.03 A 3 GLN HGy H 1 1.9864 0.03 A 3 GLN HGx H 1 1.8523 0.03 A 3 GLN N N 15 123.8396 0.10 A 3 GLN NE2 N 15 112.3450 0.10 A 4 HYP HA H 1 4.6001 0.03 A 4 HYP HB% H 1 2.3700 0.03 A 4 HYP HD H 1 3.6429 0.03 A 4 HYP HDA H 1 3.7911 0.03 A 4 HYP HOD1 H 1 2.0160 0.03 A 4 HYP CD C 13 50.5803 0.10 A 4 HYP CG C 13 27.4256 0.10 A 5 THR H H 1 8.4452 0.03 A 5 THR HA H 1 4.3455 0.03 A 5 THR HB H 1 4.1863 0.03 A 5 THR HG2% H 1 1.2067 0.03 A 5 THR CG2 C 13 21.7655 0.10 A 5 THR N N 15 115.9803 0.10 A 6 THR H H 1 8.2373 0.03 A 6 THR HA H 1 4.6072 0.03 A 6 THR HB H 1 4.1278 0.03 A 6 THR HG2% H 1 1.2144 0.03 A 6 THR CA C 13 57.9705 0.10 A 6 THR CB C 13 70.0896 0.10 A 6 THR N N 15 118.7700 0.10 A 7 PRO HA H 1 4.4013 0.03 A 7 PRO HBy H 1 2.2750 0.03 A 7 PRO HBx H 1 1.9052 0.03 A 7 PRO HDx H 1 3.7528 0.03 A 7 PRO HDy H 1 3.8579 0.03 A 7 PRO HGy H 1 2.0735 0.03 A 7 PRO HGx H 1 2.0166 0.03 A 7 PRO CA C 13 63.3487 0.10 A 7 PRO CB C 13 32.1774 0.10 A 7 PRO CD C 13 58.3642 0.10 A 8 GLY H H 1 8.5365 0.03 A 8 GLY HAx H 1 3.9513 0.03 A 8 GLY CA C 13 45.1722 0.10 A 8 GLY N N 15 109.8721 0.10 A 9 ASN H H 1 8.2648 0.03 A 9 ASN HA H 1 4.7621 0.03 A 9 ASN HBy H 1 2.7871 0.03 A 9 ASN HBx H 1 2.7204 0.03 A 9 ASN HD2y H 1 7.5386 0.03 A 9 ASN HD2x H 1 6.8910 0.03 A 9 ASN N N 15 118.5538 0.10 A 9 ASN ND2 N 15 112.7534 0.10 A 10 SER H H 1 8.3164 0.03 A 10 SER HA H 1 4.7302 0.03 A 10 SER HBy H 1 3.8263 0.03 A 10 SER HBx H 1 3.7786 0.03 A 10 SER CA C 13 54.9909 0.10 A 10 SER CB C 13 63.2284 0.10 A 10 SER N N 15 117.1950 0.10 A 11 HYP HA H 1 4.5890 0.03 A 11 HYP HB% H 1 2.3132 0.03 A 11 HYP HDA H 1 3.8507 0.03 A 11 HYP HOD1 H 1 2.0681 0.03 A 11 HYP CA C 13 72.5243 0.10 A 11 HYP CG C 13 32.7024 0.10 A 12 GLY H H 1 8.5088 0.03 A 12 GLY HAx H 1 3.8932 0.03 A 12 GLY CA C 13 45.1522 0.10 A 12 GLY N N 15 112.5638 0.10 A 13 VAL H H 1 7.9837 0.03 A 13 VAL HA H 1 4.1238 0.03 A 13 VAL HB H 1 2.0810 0.03 A 13 VAL HGx% H 1 0.8895 0.03 A 13 VAL CA C 13 62.4350 0.10 A 13 VAL CGx C 13 20.7363 0.10 A 13 VAL N N 15 119.2529 0.10 A 14 GLY H H 1 8.4372 0.03 A 14 GLY HAx H 1 3.9341 0.03 A 14 GLY CA C 13 45.1722 0.10 A 14 GLY N N 15 109.1268 0.10 A 15 HIS H H 1 8.0047 0.03 A 15 HIS HA H 1 4.5126 0.03 A 15 HIS HBx H 1 3.0945 0.03 A 15 HIS HBy H 1 3.2512 0.03 A 15 HIS HD2 H 1 7.1956 0.03 A 15 HIS HE1 H 1 8.5549 0.03 A 15 HIS CA C 13 56.2802 0.10 A 15 HIS CB C 13 29.7363 0.10 A 15 HIS CD2 C 13 119.7593 0.10 A 15 HIS CE1 C 13 136.3429 0.10 A 15 HIS N N 15 121.5006 0.10 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 8 GLY H A 14 GLY HAx 1.0 1.737 3.359 2 1 A 8 GLY H A 8 GLY HAx 1.0 1.737 3.359 3 2 A 14 GLY HAx A 9 ASN H 1.0 1.652 3.010 4 2 A 8 GLY HAx A 9 ASN H 1.0 1.652 3.010 5 3 A 3 GLN H A 2 PHE HA 1.0 1.581 2.757 6 3 A 3 GLN H A 3 GLN HA 1.0 1.581 2.757 7 4 A 6 THR H A 6 THR HB 1.0 1.813 3.743 8 4 A 6 THR H A 5 THR HB 1.0 1.813 3.743 9 5 A 10 SER H A 10 SER HBy 1.0 1.975 5.127 10 5 A 10 SER H A 10 SER HBx 1.0 1.975 5.127 11 6 A 5 THR HB A 5 THR HG2% 1.0 1.853 3.979 12 6 A 6 THR HB A 6 THR HG2% 1.0 1.853 3.979 13 7 A 6 THR H A 3 GLN HGy 1.0 1.941 4.683 14 7 A 3 GLN H A 3 GLN HGy 1.0 1.941 4.683 15 8 A 2 PHE HA A 2 PHE H 1.0 1.997 6.331 16 9 A 2 PHE H A 1 ALA HA 1.0 1.803 3.687 17 10 A 8 GLY H A 15 HIS HA 1.0 1.659 3.035 18 11 A 12 GLY H A 13 VAL HA 1.0 1.800 6.000 19 12 A 5 THR H A 5 THR HG2% 1.0 1.711 3.245 20 13 A 6 THR H A 6 THR HG2% 1.0 1.659 3.039 21 14 A 5 THR H A 3 GLN HGy 1.0 1.828 3.822 22 15 A 5 THR H A 3 GLN HBx 1.0 1.961 4.921 23 16 A 14 GLY HAx A 14 GLY H 1.0 1.642 2.972 24 17 A 14 GLY H A 7 PRO HA 1.0 1.800 6.000 25 18 A 5 THR H A 5 THR HB 1.0 1.938 4.652 26 19 A 6 THR H A 5 THR HA 1.0 1.563 2.699 27 20 A 3 GLN H A 3 GLN HGx 1.0 1.766 3.498 28 21 A 3 GLN H A 3 GLN HGy 1.0 1.930 4.578 29 22 A 13 VAL H A 13 VAL HB 1.0 1.888 4.218 30 23 A 14 GLY HAx A 13 VAL H 1.0 1.800 6.000 31 24 A 5 THR HA A 1 ALA H1 1.0 1.988 5.392 32 25 A 10 SER H A 9 ASN HBy 1.0 2.000 6.000 33 26 A 14 GLY HAx A 9 ASN H 1.0 1.766 3.496 34 27 A 5 THR H A 5 THR HA 1.0 1.994 5.592 35 28 A 13 VAL HA A 13 VAL H 1.0 1.955 4.845 36 29 A 8 GLY HAx A 15 HIS H 1.0 1.947 4.753 37 30 A 8 GLY H A 8 GLY HAx 1.0 1.790 3.616 38 31 A 12 GLY H A 12 GLY HAx 1.0 1.992 5.486 39 32 A 5 THR HB A 5 THR HG2% 1.0 1.782 3.576 40 33 A 13 VAL HA A 13 VAL HB 1.0 1.998 5.708 41 34 A 6 THR HA A 7 PRO HDy 1.0 1.850 3.956 42 35 A 15 HIS HBy A 15 HIS HBx 1.0 1.327 2.031 43 36 A 2 PHE H A 2 PHE HBy 1.0 1.916 4.440 44 37 A 9 ASN H A 9 ASN HBy 1.0 1.920 4.474 45 38 A 9 ASN H A 9 ASN HBx 1.0 1.838 3.888 46 39 A 3 GLN HBx A 3 GLN HGx 1.0 1.880 4.158 47 40 A 3 GLN HBx A 3 GLN HGy 1.0 1.533 2.603 48 41 A 7 PRO HGy A 3 GLN HGy 1.0 1.669 3.079 49 42 A 7 PRO HGy A 15 HIS H 1.0 1.879 4.155 50 43 A 3 GLN HGy A 3 GLN HGx 1.0 1.494 2.480 51 44 A 7 PRO HDy A 3 GLN HGy 1.0 1.988 5.394 52 45 A 7 PRO HA A 7 PRO HBx 1.0 1.996 5.646 53 46 A 3 GLN HGx A 7 PRO HBy 1.0 1.973 5.087 stop_ save_