data_nef_c25516_2n07 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 2N07 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 CYS SG 1 16 CYS SG 1 22 GLY C 1 1 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 X 1 GLY cyclic . false 2 X 2 HIS middle . . 3 X 3 CYS middle -HG . 4 X 4 SER middle . . 5 X 5 ASP middle . . 6 X 6 PRO middle . false 7 X 7 ARG middle . . 8 X 8 PHE middle . . 9 X 9 ASN middle . . 10 X 10 TYR middle . . 11 X 11 ASP middle . . 12 X 12 HIS middle . . 13 X 13 PRO middle . false 14 X 14 GLU middle . . 15 X 15 ILE middle . . 16 X 16 CYS middle -HG . 17 X 17 GLY middle . false 18 X 18 GLY middle . false 19 X 19 ALA middle . . 20 X 20 ALA middle . . 21 X 21 GLY middle . false 22 X 22 GLY cyclic . false 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 X 1 GLY HAx H 1 3.400 0.001 X 1 GLY HAy H 1 3.547 0.002 X 2 HIS H H 1 8.567 0.001 X 2 HIS HA H 1 4.157 0.002 X 2 HIS HBx H 1 1.740 0.003 X 2 HIS HBy H 1 1.938 0.002 X 2 HIS HD2 H 1 6.719 0.000 X 2 HIS HE1 H 1 8.188 0.000 X 3 CYS H H 1 7.901 0.001 X 3 CYS HA H 1 4.264 0.001 X 3 CYS HBy H 1 3.077 0.003 X 3 CYS HBx H 1 2.867 0.001 X 4 SER H H 1 7.625 0.002 X 4 SER HA H 1 3.996 0.002 X 4 SER HBy H 1 3.719 0.001 X 4 SER HBx H 1 3.664 0.001 X 4 SER CA C 13 59.701 0.000 X 4 SER CB C 13 62.904 0.000 X 5 ASP H H 1 7.500 0.001 X 5 ASP HA H 1 4.786 0.003 X 5 ASP HBx H 1 2.460 0.003 X 5 ASP HBy H 1 2.984 0.003 X 6 PRO HA H 1 4.070 0.002 X 6 PRO HBx H 1 1.738 0.001 X 6 PRO HBy H 1 2.114 0.001 X 6 PRO HDx H 1 3.662 0.002 X 6 PRO HDy H 1 3.951 0.002 X 6 PRO HGx H 1 1.803 0.000 X 6 PRO HGy H 1 1.856 0.000 X 6 PRO CA C 13 64.972 0.000 X 7 ARG H H 1 7.791 0.001 X 7 ARG HA H 1 3.914 0.002 X 7 ARG HBx H 1 1.645 0.002 X 7 ARG HBy H 1 1.766 0.003 X 7 ARG HDy H 1 2.970 0.001 X 7 ARG HE H 1 7.294 0.001 X 7 ARG HGx H 1 1.389 0.004 X 7 ARG HGy H 1 1.448 0.002 X 8 PHE H H 1 7.691 0.001 X 8 PHE HA H 1 4.014 0.002 X 8 PHE HBx H 1 2.840 0.002 X 8 PHE HBy H 1 3.187 0.002 X 8 PHE HDx H 1 6.761 0.002 X 8 PHE HDy H 1 6.761 0.002 X 8 PHE HEx H 1 6.686 0.002 X 8 PHE HEy H 1 6.686 0.002 X 8 PHE HZ H 1 6.579 0.001 X 8 PHE CB C 13 39.153 0.000 X 9 ASN H H 1 8.578 0.001 X 9 ASN HA H 1 4.153 0.006 X 9 ASN HBy H 1 2.558 0.003 X 9 ASN HD2y H 1 7.529 0.001 X 9 ASN HD2x H 1 6.719 0.000 X 10 TYR H H 1 7.664 0.001 X 10 TYR HA H 1 3.752 0.001 X 10 TYR HBx H 1 2.778 0.002 X 10 TYR HBy H 1 2.889 0.002 X 10 TYR HDx H 1 6.882 0.001 X 10 TYR HDy H 1 6.882 0.001 X 10 TYR HEx H 1 6.516 0.001 X 10 TYR HEy H 1 6.516 0.001 X 10 TYR HH H 1 6.820 0.000 X 11 ASP H H 1 7.710 0.001 X 11 ASP HA H 1 3.988 0.001 X 11 ASP HBx H 1 1.862 0.002 X 11 ASP HBy H 1 2.232 0.000 X 12 HIS H H 1 7.287 0.001 X 12 HIS HA H 1 4.994 0.003 X 12 HIS HBx H 1 2.253 0.005 X 12 HIS HBy H 1 2.601 0.002 X 12 HIS HD2 H 1 6.073 0.000 X 12 HIS HE1 H 1 8.112 0.001 X 12 HIS CB C 13 27.882 0.000 X 13 PRO HA H 1 4.187 0.003 X 13 PRO HBy H 1 1.995 0.000 X 13 PRO HDx H 1 3.057 0.002 X 13 PRO HDy H 1 3.229 0.004 X 13 PRO HGy H 1 1.683 0.002 X 13 PRO CD C 13 50.000 0.000 X 14 GLU H H 1 9.338 0.002 X 14 GLU HA H 1 3.983 0.000 X 14 GLU HBx H 1 1.684 0.000 X 14 GLU HBy H 1 1.810 0.002 X 14 GLU HGx H 1 2.009 0.003 X 14 GLU HGy H 1 2.252 0.005 X 14 GLU CA C 13 58.408 0.000 X 14 GLU CB C 13 27.347 0.000 X 14 GLU CG C 13 35.420 0.004 X 15 ILE H H 1 7.160 0.001 X 15 ILE HA H 1 3.983 0.000 X 15 ILE HB H 1 1.705 0.003 X 15 ILE HD1% H 1 0.595 0.003 X 15 ILE HG1x H 1 0.932 0.004 X 15 ILE HG1y H 1 1.397 0.002 X 15 ILE HG2% H 1 0.736 0.001 X 15 ILE CD1 C 13 12.678 0.000 X 15 ILE CG1 C 13 27.649 0.000 X 16 CYS H H 1 8.042 0.002 X 16 CYS HA H 1 4.727 0.004 X 16 CYS HBx H 1 2.547 0.003 X 16 CYS HBy H 1 3.249 0.002 X 17 GLY H H 1 8.191 0.001 X 17 GLY HAx H 1 3.801 0.000 X 17 GLY HAy H 1 4.025 0.000 X 17 GLY CA C 13 46.446 0.000 X 18 GLY H H 1 8.150 0.001 X 18 GLY HAx H 1 3.694 0.000 X 18 GLY HAy H 1 3.848 0.000 X 19 ALA H H 1 7.782 0.001 X 19 ALA HA H 1 4.080 0.000 X 19 ALA HB% H 1 1.189 0.000 X 19 ALA CB C 13 19.393 0.000 X 20 ALA H H 1 8.238 0.001 X 20 ALA HA H 1 3.994 0.001 X 20 ALA HB% H 1 1.101 0.001 X 21 GLY H H 1 8.180 0.001 X 21 GLY HAx H 1 3.488 0.008 X 21 GLY HAy H 1 3.642 0.000 X 22 GLY H H 1 7.875 0.001 X 22 GLY HAx H 1 3.497 0.000 X 22 GLY HAy H 1 3.662 0.000 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 X 1 GLY C X 2 HIS N X 2 HIS CA X 2 HIS C 1.0 -135.0 75.0 PHI 2 2 X 2 HIS N X 2 HIS CA X 2 HIS C X 3 CYS N 1.0 105.0 185.0 PSI 3 3 X 2 HIS C X 3 CYS N X 3 CYS CA X 3 CYS C 1.0 -135.0 75.0 PHI 4 4 X 3 CYS N X 3 CYS CA X 3 CYS C X 4 SER N 1.0 105.0 185.0 PSI 5 5 X 3 CYS C X 4 SER N X 4 SER CA X 4 SER C 1.0 -135.0 75.0 PHI 6 6 X 4 SER N X 4 SER CA X 4 SER C X 5 ASP N 1.0 105.0 185.0 PSI 7 7 X 6 PRO C X 7 ARG N X 7 ARG CA X 7 ARG C 1.0 -135.0 75.0 PHI 8 8 X 7 ARG N X 7 ARG CA X 7 ARG C X 8 PHE N 1.0 105.0 185.0 PSI 9 9 X 7 ARG C X 8 PHE N X 8 PHE CA X 8 PHE C 1.0 -135.0 75.0 PHI 10 10 X 8 PHE N X 8 PHE CA X 8 PHE C X 9 ASN N 1.0 105.0 185.0 PSI 11 11 X 8 PHE C X 9 ASN N X 9 ASN CA X 9 ASN C 1.0 -135.0 75.0 PHI 12 12 X 9 ASN N X 9 ASN CA X 9 ASN C X 10 TYR N 1.0 105.0 185.0 PSI 13 13 X 9 ASN C X 10 TYR N X 10 TYR CA X 10 TYR C 1.0 -135.0 75.0 PHI 14 14 X 10 TYR N X 10 TYR CA X 10 TYR C X 11 ASP N 1.0 105.0 185.0 PSI 15 15 X 10 TYR C X 11 ASP N X 11 ASP CA X 11 ASP C 1.0 -135.0 75.0 PHI 16 16 X 11 ASP N X 11 ASP CA X 11 ASP C X 12 HIS N 1.0 105.0 185.0 PSI 17 17 X 13 PRO C X 14 GLU N X 14 GLU CA X 14 GLU C 1.0 -135.0 75.0 PHI 18 18 X 14 GLU N X 14 GLU CA X 14 GLU C X 15 ILE N 1.0 105.0 185.0 PSI 19 19 X 14 GLU C X 15 ILE N X 15 ILE CA X 15 ILE C 1.0 -135.0 75.0 PHI 20 20 X 15 ILE N X 15 ILE CA X 15 ILE C X 16 CYS N 1.0 105.0 185.0 PSI 21 21 X 15 ILE C X 16 CYS N X 16 CYS CA X 16 CYS C 1.0 -135.0 75.0 PHI 22 22 X 16 CYS N X 16 CYS CA X 16 CYS C X 17 GLY N 1.0 105.0 185.0 PSI 23 23 X 18 GLY C X 19 ALA N X 19 ALA CA X 19 ALA C 1.0 -135.0 75.0 PHI 24 24 X 19 ALA N X 19 ALA CA X 19 ALA C X 20 ALA N 1.0 105.0 185.0 PSI 25 25 X 19 ALA C X 20 ALA N X 20 ALA CA X 20 ALA C 1.0 -135.0 75.0 PHI 26 26 X 20 ALA N X 20 ALA CA X 20 ALA C X 21 GLY N 1.0 105.0 185.0 PSI 27 27 X 2 HIS N X 2 HIS CA X 2 HIS CB X 2 HIS CG 1.0 -90.0 210.0 CHI1 28 28 X 2 HIS N X 2 HIS CA X 2 HIS CB X 2 HIS CG 1.0 30.0 330.0 CHI1 29 29 X 2 HIS N X 2 HIS CA X 2 HIS CB X 2 HIS CG 1.0 -210.0 90.0 CHI1 30 30 X 3 CYS N X 3 CYS CA X 3 CYS CB X 3 CYS SG 1.0 -90.0 210.0 CHI1 31 31 X 3 CYS N X 3 CYS CA X 3 CYS CB X 3 CYS SG 1.0 30.0 330.0 CHI1 32 32 X 3 CYS N X 3 CYS CA X 3 CYS CB X 3 CYS SG 1.0 -210.0 90.0 CHI1 33 33 X 4 SER N X 4 SER CA X 4 SER CB X 4 SER OG 1.0 -90.0 210.0 CHI1 34 34 X 4 SER N X 4 SER CA X 4 SER CB X 4 SER OG 1.0 30.0 330.0 CHI1 35 35 X 4 SER N X 4 SER CA X 4 SER CB X 4 SER OG 1.0 -210.0 90.0 CHI1 36 36 X 5 ASP N X 5 ASP CA X 5 ASP CB X 5 ASP CG 1.0 -90.0 210.0 CHI1 37 37 X 5 ASP N X 5 ASP CA X 5 ASP CB X 5 ASP CG 1.0 30.0 330.0 CHI1 38 38 X 5 ASP N X 5 ASP CA X 5 ASP CB X 5 ASP CG 1.0 -210.0 90.0 CHI1 39 39 X 7 ARG N X 7 ARG CA X 7 ARG CB X 7 ARG CG 1.0 -90.0 210.0 CHI1 40 40 X 7 ARG N X 7 ARG CA X 7 ARG CB X 7 ARG CG 1.0 30.0 330.0 CHI1 41 41 X 7 ARG N X 7 ARG CA X 7 ARG CB X 7 ARG CG 1.0 -210.0 90.0 CHI1 42 42 X 7 ARG CA X 7 ARG CB X 7 ARG CG X 7 ARG CD 1.0 -90.0 210.0 CHI2 43 43 X 7 ARG CA X 7 ARG CB X 7 ARG CG X 7 ARG CD 1.0 30.0 330.0 CHI2 44 44 X 7 ARG CA X 7 ARG CB X 7 ARG CG X 7 ARG CD 1.0 -210.0 90.0 CHI2 45 45 X 7 ARG CB X 7 ARG CG X 7 ARG CD X 7 ARG NE 1.0 -90.0 210.0 CHI3 46 46 X 7 ARG CB X 7 ARG CG X 7 ARG CD X 7 ARG NE 1.0 30.0 330.0 CHI3 47 47 X 7 ARG CB X 7 ARG CG X 7 ARG CD X 7 ARG NE 1.0 -210.0 90.0 CHI3 48 48 X 8 PHE N X 8 PHE CA X 8 PHE CB X 8 PHE CG 1.0 -90.0 210.0 CHI1 49 49 X 8 PHE N X 8 PHE CA X 8 PHE CB X 8 PHE CG 1.0 30.0 330.0 CHI1 50 50 X 8 PHE N X 8 PHE CA X 8 PHE CB X 8 PHE CG 1.0 -210.0 90.0 CHI1 51 51 X 9 ASN N X 9 ASN CA X 9 ASN CB X 9 ASN CG 1.0 -90.0 210.0 CHI1 52 52 X 9 ASN N X 9 ASN CA X 9 ASN CB X 9 ASN CG 1.0 30.0 330.0 CHI1 53 53 X 9 ASN N X 9 ASN CA X 9 ASN CB X 9 ASN CG 1.0 -210.0 90.0 CHI1 54 54 X 10 TYR N X 10 TYR CA X 10 TYR CB X 10 TYR CG 1.0 -90.0 210.0 CHI1 55 55 X 10 TYR N X 10 TYR CA X 10 TYR CB X 10 TYR CG 1.0 30.0 330.0 CHI1 56 56 X 10 TYR N X 10 TYR CA X 10 TYR CB X 10 TYR CG 1.0 -210.0 90.0 CHI1 57 57 X 11 ASP N X 11 ASP CA X 11 ASP CB X 11 ASP CG 1.0 -90.0 210.0 CHI1 58 58 X 11 ASP N X 11 ASP CA X 11 ASP CB X 11 ASP CG 1.0 30.0 330.0 CHI1 59 59 X 11 ASP N X 11 ASP CA X 11 ASP CB X 11 ASP CG 1.0 -210.0 90.0 CHI1 60 60 X 12 HIS N X 12 HIS CA X 12 HIS CB X 12 HIS CG 1.0 -90.0 210.0 CHI1 61 61 X 12 HIS N X 12 HIS CA X 12 HIS CB X 12 HIS CG 1.0 30.0 330.0 CHI1 62 62 X 12 HIS N X 12 HIS CA X 12 HIS CB X 12 HIS CG 1.0 -210.0 90.0 CHI1 63 63 X 14 GLU N X 14 GLU CA X 14 GLU CB X 14 GLU CG 1.0 -90.0 210.0 CHI1 64 64 X 14 GLU N X 14 GLU CA X 14 GLU CB X 14 GLU CG 1.0 30.0 330.0 CHI1 65 65 X 14 GLU N X 14 GLU CA X 14 GLU CB X 14 GLU CG 1.0 -210.0 90.0 CHI1 66 66 X 14 GLU CA X 14 GLU CB X 14 GLU CG X 14 GLU CD 1.0 -90.0 210.0 CHI2 67 67 X 14 GLU CA X 14 GLU CB X 14 GLU CG X 14 GLU CD 1.0 30.0 330.0 CHI2 68 68 X 14 GLU CA X 14 GLU CB X 14 GLU CG X 14 GLU CD 1.0 -210.0 90.0 CHI2 69 69 X 15 ILE N X 15 ILE CA X 15 ILE CB X 15 ILE CG1 1.0 -90.0 210.0 CHI1 70 70 X 15 ILE N X 15 ILE CA X 15 ILE CB X 15 ILE CG1 1.0 30.0 330.0 CHI1 71 71 X 15 ILE N X 15 ILE CA X 15 ILE CB X 15 ILE CG1 1.0 -210.0 90.0 CHI1 72 72 X 15 ILE CA X 15 ILE CB X 15 ILE CG1 X 15 ILE CD1 1.0 -90.0 210.0 CHI2 73 73 X 15 ILE CA X 15 ILE CB X 15 ILE CG1 X 15 ILE CD1 1.0 30.0 330.0 CHI2 74 74 X 15 ILE CA X 15 ILE CB X 15 ILE CG1 X 15 ILE CD1 1.0 -210.0 90.0 CHI2 75 75 X 16 CYS N X 16 CYS CA X 16 CYS CB X 16 CYS SG 1.0 -90.0 210.0 CHI1 76 76 X 16 CYS N X 16 CYS CA X 16 CYS CB X 16 CYS SG 1.0 30.0 330.0 CHI1 77 77 X 16 CYS N X 16 CYS CA X 16 CYS CB X 16 CYS SG 1.0 -210.0 90.0 CHI1 stop_ save_