data_nef_c30729_6vy8 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6VY8 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 2 ARG C 1 3 RVJ N 1 3 RVJ C 1 4 THR N 1 10 ILE C 1 11 2AG N 1 11 2AG C 1 12 PHE N 1 14 ASP C 1 1 GLY N 1 3 RVJ NG 1 11 2AG C1E 1 3 RVJ NE 1 11 2AG C1A 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 GLY cyclic -H2 false 2 A 2 ARG middle -OXT . 3 A 3 RVJ middle -H2,-OXT . 4 A 4 THR middle -H2 . 5 A 5 LYS middle . . 6 A 6 SER middle . . 7 A 7 ILE middle . . 8 A 8 PRO middle . true 9 A 9 PRO middle . false 10 A 10 ILE middle -OXT . 11 A 11 2AG middle -H2,-OXT . 12 A 12 PHE middle -H2 . 13 A 13 PRO middle . false 14 A 14 ASP cyclic -OXT . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 3.916 0.011 A 1 GLY HAy H 1 4.303 0.004 A 1 GLY CA C 13 45.216 0.004 A 1 GLY N N 15 108.082 0.000 A 2 ARG H H 1 7.958 0.006 A 2 ARG HA H 1 4.473 0.003 A 2 ARG HBy H 1 1.998 0.002 A 2 ARG HBx H 1 1.882 0.002 A 2 ARG HDx H 1 3.165 0.017 A 2 ARG HDy H 1 3.165 0.017 A 2 ARG HE H 1 7.570 0.011 A 2 ARG HGx H 1 1.645 0.013 A 2 ARG HGy H 1 1.645 0.013 A 2 ARG CA C 13 56.355 0.000 A 2 ARG CB C 13 30.861 0.000 A 2 ARG CD C 13 43.512 0.000 A 2 ARG CG C 13 27.431 0.000 A 2 ARG NE N 15 125.183 0.000 A 3 RVJ H1 H 1 8.827 0.002 A 3 RVJ HA H 1 5.422 0.002 A 3 RVJ HBx H 1 4.679 0.000 A 3 RVJ HBy H 1 4.679 0.000 A 3 RVJ CA C 13 56.371 0.000 A 3 RVJ CB C 13 51.020 0.000 A 3 RVJ N N 15 117.395 0.000 A 4 THR H H 1 8.434 0.001 A 4 THR HA H 1 4.477 0.003 A 4 THR HB H 1 4.025 0.005 A 4 THR HG2% H 1 1.214 0.002 A 4 THR CA C 13 61.474 0.000 A 4 THR CB C 13 70.870 0.000 A 4 THR CG2 C 13 21.643 0.000 A 5 LYS H H 1 8.749 0.001 A 5 LYS HA H 1 4.430 0.006 A 5 LYS HBy H 1 2.000 0.002 A 5 LYS HBx H 1 1.774 0.008 A 5 LYS HDx H 1 1.771 0.003 A 5 LYS HDy H 1 1.771 0.003 A 5 LYS HEx H 1 3.050 0.001 A 5 LYS HEy H 1 3.050 0.001 A 5 LYS HGy H 1 1.594 0.002 A 5 LYS HGx H 1 1.522 0.001 A 5 LYS HZ1 H 1 7.511 0.000 A 5 LYS HZ2 H 1 7.511 0.000 A 5 LYS HZ3 H 1 7.511 0.000 A 5 LYS CA C 13 55.746 0.000 A 5 LYS CB C 13 30.227 0.036 A 5 LYS CD C 13 29.128 0.000 A 5 LYS CE C 13 42.433 0.000 A 5 LYS CG C 13 24.958 0.008 A 5 LYS N N 15 126.151 0.000 A 6 SER H H 1 7.503 0.004 A 6 SER HA H 1 4.390 0.005 A 6 SER HBy H 1 3.933 0.004 A 6 SER HBx H 1 3.679 0.003 A 6 SER CA C 13 57.097 0.000 A 6 SER CB C 13 64.647 0.004 A 6 SER N N 15 114.318 0.000 A 7 ILE H H 1 8.183 0.004 A 7 ILE HA H 1 4.308 0.003 A 7 ILE HB H 1 1.805 0.004 A 7 ILE HD1% H 1 0.831 0.006 A 7 ILE HG1y H 1 1.457 0.003 A 7 ILE HG1x H 1 1.062 0.003 A 7 ILE HG2% H 1 0.831 0.006 A 7 ILE CA C 13 58.247 0.000 A 7 ILE CB C 13 39.203 0.000 A 7 ILE CD1 C 13 12.871 0.000 A 7 ILE CG1 C 13 27.138 0.017 A 7 ILE CG2 C 13 17.157 0.000 A 7 ILE N N 15 118.610 0.000 A 8 PRO HA H 1 5.096 0.003 A 8 PRO HBy H 1 2.409 0.002 A 8 PRO HBx H 1 2.053 0.005 A 8 PRO HDy H 1 3.608 0.002 A 8 PRO HDx H 1 3.500 0.003 A 8 PRO HGy H 1 1.942 0.003 A 8 PRO HGx H 1 1.829 0.007 A 8 PRO CA C 13 62.354 0.000 A 8 PRO CB C 13 32.998 0.062 A 8 PRO CD C 13 50.150 0.005 A 8 PRO CG C 13 24.721 0.010 A 9 PRO HA H 1 4.332 0.006 A 9 PRO HBy H 1 2.410 0.002 A 9 PRO HBx H 1 2.127 0.015 A 9 PRO HDy H 1 3.784 0.001 A 9 PRO HDx H 1 3.707 0.002 A 9 PRO HGx H 1 2.140 0.011 A 9 PRO HGy H 1 2.148 0.006 A 9 PRO CA C 13 63.686 0.000 A 9 PRO CB C 13 31.902 0.000 A 9 PRO CD C 13 50.755 0.014 A 9 PRO CG C 13 27.541 0.000 A 10 ILE H H 1 7.349 0.004 A 10 ILE HA H 1 4.220 0.005 A 10 ILE HB H 1 1.533 0.004 A 10 ILE HD1% H 1 0.740 0.004 A 10 ILE HG1y H 1 1.236 0.008 A 10 ILE HG1x H 1 0.864 0.006 A 10 ILE HG2% H 1 0.574 0.003 A 10 ILE CA C 13 59.876 0.000 A 10 ILE CB C 13 40.174 0.000 A 10 ILE CD1 C 13 12.745 0.000 A 10 ILE CG1 C 13 26.987 0.011 A 10 ILE CG2 C 13 17.225 0.000 A 10 ILE N N 15 121.164 0.000 A 11 2AG H H 1 8.582 0.002 A 11 2AG H1x H 1 7.432 0.001 A 11 2AG HA H 1 5.222 0.003 A 11 2AG HBy H 1 3.356 0.012 A 11 2AG HBx H 1 2.960 0.002 A 11 2AG CA C 13 53.711 0.000 A 11 2AG CB C 13 29.564 0.004 A 11 2AG N N 15 124.702 0.000 A 12 PHE H H 1 8.826 0.008 A 12 PHE HA H 1 5.035 0.004 A 12 PHE HBy H 1 3.351 0.010 A 12 PHE HBx H 1 2.928 0.010 A 12 PHE HDx H 1 7.253 0.003 A 12 PHE HDy H 1 7.253 0.003 A 12 PHE CA C 13 56.325 0.000 A 12 PHE CB C 13 40.618 0.026 A 13 PRO HA H 1 4.450 0.003 A 13 PRO HBy H 1 2.418 0.001 A 13 PRO HBx H 1 2.048 0.004 A 13 PRO HDy H 1 4.039 0.004 A 13 PRO HDx H 1 4.037 0.006 A 13 PRO HGy H 1 2.185 0.001 A 13 PRO HGx H 1 2.108 0.002 A 13 PRO CA C 13 64.780 0.000 A 13 PRO CB C 13 33.168 0.000 A 13 PRO CD C 13 51.288 0.032 A 13 PRO CG C 13 27.658 0.000 A 14 ASP H H 1 7.975 0.002 A 14 ASP HA H 1 4.529 0.002 A 14 ASP HBy H 1 3.102 0.014 A 14 ASP HBx H 1 2.831 0.015 A 14 ASP CA C 13 53.648 0.000 A 14 ASP CB C 13 38.289 0.001 A 14 ASP N N 15 114.974 0.000 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 undefined 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 10 ILE H A 10 ILE HB 1.0 1.8 3.36 2 2 A 13 PRO HA A 14 ASP H 1.0 1.8 3.33 3 3 A 4 THR HA A 5 LYS H 1.0 1.8 2.49 4 4 A 5 LYS H A 4 THR HB 1.0 1.8 3.95 5 5 A 5 LYS H A 5 LYS HBy 1.0 1.8 3.73 6 6 A 5 LYS H A 5 LYS HBx 1.0 1.8 3.73 7 7 A 6 SER H A 6 SER HA 1.0 1.8 2.93 8 8 A 6 SER H A 6 SER HBy 1.0 1.8 4.04 9 9 A 6 SER H A 6 SER HBx 1.0 1.8 4.04 10 10 A 6 SER H A 5 LYS HA 1.0 1.8 3.11 11 11 A 6 SER HA A 7 ILE H 1.0 1.8 2.93 12 12 A 7 ILE HA A 8 PRO HA 1.0 1.8 3.14 13 13 A 5 LYS H A 6 SER H 1.0 1.8 3.64 14 14 A 14 ASP H A 12 PHE HBy 1.0 1.8 3.64 15 15 A 14 ASP H A 12 PHE HBx 1.0 1.8 3.64 16 16 A 10 ILE H A 9 PRO HA 1.0 1.8 2.52 17 17 A 4 THR HB A 6 SER H 1.0 1.8 3.95 18 18 A 10 ILE H A 9 PRO HBx 1.0 1.8 4.11 19 19 A 10 ILE H A 9 PRO HBy 1.0 1.8 4.11 20 20 A 10 ILE H A 10 ILE . 1.0 1.8 5.50 21 21 A 8 PRO HA A 9 PRO HDy 1.0 1.8 3.11 22 22 A 8 PRO HA A 9 PRO HDx 1.0 1.8 3.11 23 23 A 12 PHE HA A 12 PHE HD% 1.0 1.8 6.88 24 24 A 10 ILE H A 10 ILE . 1.0 1.8 5.50 25 25 A 10 ILE H A 10 ILE HG2% 1.0 1.8 6.08 26 26 A 7 ILE H A 7 ILE HG2% 1.0 1.8 5.99 27 27 A 5 LYS H A 4 THR HG2% 1.0 1.8 5.59 28 28 A 5 LYS H A 7 ILE HG2% 1.0 1.8 6.52 29 29 A 6 SER H A 4 THR HG2% 1.0 1.8 5.84 30 30 A 12 PHE HD% A 10 ILE HG2% 1.0 1.8 7.53 31 31 A 8 PRO HA A 7 ILE HG2% 1.0 1.8 4.44 32 32 A 7 ILE HA A 7 ILE HG2% 1.0 1.8 4.16 33 33 A 7 ILE HG2% A 7 ILE HG1x 1.0 1.8 3.42 34 34 A 7 ILE HG2% A 7 ILE HG1y 1.0 1.8 3.42 35 35 A 2 ARG HA A 2 ARG HGx 1.0 1.8 3.67 36 35 A 2 ARG HA A 2 ARG HGy 1.0 1.8 3.67 37 36 A 2 ARG HE A 2 ARG HBx 1.0 1.8 4.59 38 36 A 2 ARG HBy A 2 ARG HE 1.0 1.8 4.59 39 37 A 12 PHE HD% A 2 ARG HBx 1.0 1.8 6.49 40 37 A 12 PHE HD% A 2 ARG HBy 1.0 1.8 6.49 41 38 A 4 THR HG2% A 6 SER HBx 1.0 1.8 5.02 42 38 A 4 THR HG2% A 6 SER HBy 1.0 1.8 5.02 43 39 A 5 LYS H A 5 LYS HBy 1.0 1.8 2.90 44 39 A 5 LYS H A 5 LYS HBx 1.0 1.8 2.90 45 40 A 5 LYS H A 5 LYS HGy 1.0 1.8 5.05 46 40 A 5 LYS H A 5 LYS HGx 1.0 1.8 5.05 47 41 A 5 LYS H A 5 LYS HDx 1.0 1.8 3.35 48 41 A 5 LYS H A 5 LYS HDy 1.0 1.8 3.35 49 42 A 6 SER H A 6 SER HBx 1.0 1.8 3.35 50 42 A 6 SER H A 6 SER HBy 1.0 1.8 3.35 51 43 A 7 ILE H A 6 SER HBx 1.0 1.8 3.44 52 43 A 7 ILE H A 6 SER HBy 1.0 1.8 3.44 53 44 A 7 ILE H A 7 ILE HG1x 1.0 1.8 4.32 54 44 A 7 ILE H A 7 ILE HG1y 1.0 1.8 4.32 55 45 A 8 PRO HA A 9 PRO HDy 1.0 1.8 2.68 56 45 A 8 PRO HA A 9 PRO HDx 1.0 1.8 2.68 57 46 A 10 ILE H A 10 ILE HG1x 1.0 1.8 4.78 58 46 A 10 ILE H A 10 ILE HG1y 1.0 1.8 4.78 59 47 A 12 PHE HA A 13 PRO HDy 1.0 1.8 2.73 60 47 A 12 PHE HA A 13 PRO HDx 1.0 1.8 2.73 61 48 A 12 PHE HBy A 13 PRO HDy 1.0 1.8 3.05 62 48 A 12 PHE HBx A 13 PRO HDy 1.0 1.8 3.05 63 48 A 13 PRO HDx A 12 PHE HBx 1.0 1.8 3.05 64 48 A 12 PHE HBy A 13 PRO HDx 1.0 1.8 3.05 65 49 A 14 ASP H A 12 PHE HBx 1.0 1.8 3.17 66 49 A 14 ASP H A 12 PHE HBy 1.0 1.8 3.17 67 50 A 12 PHE HD% A 13 PRO HDy 1.0 1.8 6.77 68 50 A 12 PHE HD% A 13 PRO HDx 1.0 1.8 6.77 69 51 A 14 ASP H A 13 PRO HDy 1.0 1.8 4.67 70 51 A 14 ASP H A 13 PRO HDx 1.0 1.8 4.67 71 52 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.21 72 52 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.21 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type undefined 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 10 ILE . A 4 THR OG1 1.0 1.8 2.0 2 2 A 4 THR OG1 A 10 ILE N 1.0 1.8 3.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 A 4 THR N A 4 THR CA A 4 THR C A 5 LYS N 1.0 108.5 160.5 PSI 2 2 A 6 SER C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -137.3 -51.1 PHI 3 3 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 PRO N 1.0 103.6 169.4 PSI 4 4 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 PRO N 1.0 124.0 167.2 PSI 5 5 A 9 PRO C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -141.2 -87.0 PHI 6 6 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 PRO N 1.0 121.9 173.9 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 1 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 12 . . . . stop_ save_