data_nef_c30274_5vav 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 5VAV 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 11 CYS SG 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 . false 2 A 2 ARG middle . . 3 A 3 CYS middle -HG . 4 A 4 THR middle . . 5 A 5 GLN middle . . 6 A 6 ALA middle . . 7 A 7 TRP middle . . 8 A 8 PRO middle . true 9 A 9 PRO middle . false 10 A 10 ILE middle . . 11 A 11 CYS middle -HG . 12 A 12 PHE middle . . 13 A 13 PRO middle . false 14 A 14 ASP cyclic . . 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 H1 H 1 8.341 0.005 A 1 GLY HAy H 1 4.485 0.000 A 1 GLY HAx H 1 3.751 0.007 A 1 GLY CA C 13 45.300 0.027 A 1 GLY N N 15 108.517 0.000 A 2 ARG H H 1 7.874 0.002 A 2 ARG HA H 1 4.434 0.000 A 2 ARG HBx H 1 1.900 0.000 A 2 ARG HBy H 1 2.033 0.000 A 2 ARG HDx H 1 3.110 0.002 A 2 ARG HDy H 1 3.110 0.002 A 2 ARG HE H 1 7.541 0.002 A 2 ARG HGx H 1 1.512 0.002 A 2 ARG HGy H 1 1.512 0.002 A 2 ARG CB C 13 31.231 0.010 A 2 ARG CD C 13 43.524 0.000 A 2 ARG CG C 13 27.836 0.000 A 2 ARG N N 15 121.112 0.000 A 2 ARG NE N 15 126.315 0.000 A 3 CYS H H 1 8.581 0.003 A 3 CYS HA H 1 5.798 0.002 A 3 CYS HBy H 1 3.093 0.002 A 3 CYS HBx H 1 2.908 0.000 A 3 CYS CA C 13 55.810 0.000 A 3 CYS CB C 13 48.848 0.019 A 3 CYS N N 15 119.359 0.000 A 4 THR H H 1 9.088 0.001 A 4 THR HA H 1 4.480 0.004 A 4 THR HB H 1 4.535 0.001 A 4 THR HG2% H 1 1.334 0.001 A 4 THR CA C 13 61.439 0.000 A 4 THR CB C 13 70.040 0.000 A 4 THR CG2 C 13 22.534 0.000 A 4 THR N N 15 114.209 0.000 A 5 GLN H H 1 8.300 0.003 A 5 GLN HA H 1 4.436 0.000 A 5 GLN HBy H 1 2.218 0.003 A 5 GLN HBx H 1 1.994 0.002 A 5 GLN HE2y H 1 7.593 0.003 A 5 GLN HE2x H 1 6.829 0.003 A 5 GLN HGx H 1 2.266 0.002 A 5 GLN HGy H 1 2.266 0.002 A 5 GLN CB C 13 29.349 0.009 A 5 GLN CG C 13 34.232 0.000 A 5 GLN N N 15 118.685 0.000 A 5 GLN NE2 N 15 112.997 0.012 A 6 ALA H H 1 7.509 0.001 A 6 ALA HA H 1 4.324 0.000 A 6 ALA HB% H 1 1.263 0.001 A 6 ALA CA C 13 52.143 0.000 A 6 ALA CB C 13 20.589 0.000 A 6 ALA N N 15 124.158 0.000 A 7 TRP H H 1 8.204 0.003 A 7 TRP HA H 1 4.716 0.000 A 7 TRP HBx H 1 3.079 0.000 A 7 TRP HBy H 1 3.079 0.000 A 7 TRP HD1 H 1 7.222 0.003 A 7 TRP HE1 H 1 10.157 0.004 A 7 TRP HE3 H 1 7.728 0.003 A 7 TRP HH2 H 1 7.279 0.000 A 7 TRP HZ2 H 1 7.529 0.006 A 7 TRP HZ3 H 1 7.211 0.000 A 7 TRP CB C 13 31.163 0.000 A 7 TRP CD1 C 13 122.346 0.000 A 7 TRP CZ2 C 13 114.788 0.000 A 7 TRP N N 15 118.404 0.000 A 7 TRP NE1 N 15 129.274 0.000 A 8 PRO HA H 1 3.845 0.002 A 8 PRO HBx H 1 1.554 0.003 A 8 PRO HBy H 1 1.554 0.003 A 8 PRO HDy H 1 3.413 0.003 A 8 PRO HDx H 1 3.221 0.002 A 8 PRO HGx H 1 1.366 0.004 A 8 PRO HGy H 1 1.366 0.004 A 9 PRO HA H 1 4.158 0.002 A 9 PRO HBy H 1 2.305 0.002 A 9 PRO HBx H 1 1.772 0.004 A 9 PRO HDy H 1 3.313 0.016 A 9 PRO HDx H 1 3.267 0.002 A 9 PRO HGx H 1 1.909 0.002 A 9 PRO HGy H 1 1.909 0.002 A 9 PRO CA C 13 63.543 0.000 A 9 PRO CD C 13 50.048 0.000 A 10 ILE H H 1 7.761 0.001 A 10 ILE HA H 1 4.112 0.001 A 10 ILE HB H 1 1.736 0.000 A 10 ILE HD1% H 1 0.468 0.000 A 10 ILE HG1y H 1 1.374 0.000 A 10 ILE HG1x H 1 0.996 0.001 A 10 ILE HG2% H 1 0.628 0.001 A 10 ILE CA C 13 60.605 0.000 A 10 ILE CB C 13 38.690 0.000 A 10 ILE CD1 C 13 17.286 0.000 A 10 ILE CG1 C 13 26.919 0.000 A 10 ILE CG2 C 13 12.372 0.000 A 10 ILE N N 15 123.439 0.000 A 11 CYS H H 1 8.409 0.001 A 11 CYS HA H 1 5.386 0.002 A 11 CYS HBy H 1 2.902 0.004 A 11 CYS HBx H 1 2.845 0.005 A 11 CYS CA C 13 55.415 0.000 A 11 CYS CB C 13 47.671 0.007 A 11 CYS N N 15 123.337 0.000 A 12 PHE H H 1 8.902 0.008 A 12 PHE HA H 1 4.911 0.000 A 12 PHE HBy H 1 3.414 0.001 A 12 PHE HBx H 1 3.093 0.001 A 12 PHE HDx H 1 7.193 0.002 A 12 PHE HDy H 1 7.193 0.002 A 12 PHE CB C 13 39.388 0.016 A 12 PHE N N 15 122.174 0.000 A 13 PRO HA H 1 4.428 0.005 A 13 PRO HBy H 1 2.482 0.000 A 13 PRO HBx H 1 2.031 0.003 A 13 PRO HDx H 1 3.978 0.005 A 13 PRO HDy H 1 3.978 0.005 A 13 PRO HGy H 1 2.221 0.000 A 13 PRO HGx H 1 2.116 0.001 A 13 PRO CA C 13 65.348 0.000 A 13 PRO CD C 13 51.259 0.000 A 14 ASP H H 1 7.835 0.008 A 14 ASP HA H 1 4.537 0.000 A 14 ASP HBy H 1 3.127 0.000 A 14 ASP HBx H 1 2.737 0.000 A 14 ASP CA C 13 53.564 0.000 A 14 ASP N N 15 113.636 0.000 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 11 CYS H A 11 CYS HBx 1.0 . 4.08 2 2 A 11 CYS H A 11 CYS HBy 1.0 . 4.08 3 3 A 10 ILE H A 10 ILE HB 1.0 . 4.02 4 4 A 10 ILE H A 10 ILE HG1y 1.0 . 5.01 5 5 A 10 ILE H A 10 ILE HG1x 1.0 . 5.01 6 6 A 10 ILE H A 10 ILE HG2% 1.0 . 4.48 7 7 A 10 ILE H A 10 ILE HD1% 1.0 . 5.17 8 8 A 4 THR H A 4 THR HG2% 1.0 . 3.67 9 9 A 3 CYS H A 3 CYS HBy 1.0 . 3.98 10 10 A 2 ARG HE A 2 ARG HBy 1.0 . 5.50 11 11 A 2 ARG HE A 2 ARG HBx 1.0 . 5.50 12 12 A 6 ALA H A 6 ALA HB% 1.0 . 3.79 13 13 A 2 ARG H A 2 ARG HDx 1.0 . 5.50 14 13 A 2 ARG H A 2 ARG HDy 1.0 . 5.50 15 14 A 5 GLN H A 5 GLN HGx 1.0 . 5.47 16 14 A 5 GLN H A 5 GLN HGy 1.0 . 5.47 17 15 A 7 TRP H A 7 TRP HBx 1.0 . 3.64 18 15 A 7 TRP H A 7 TRP HBy 1.0 . 3.64 19 16 A 3 CYS HA A 12 PHE H 1.0 . 4.42 20 17 A 11 CYS H A 10 ILE HA 1.0 . 3.24 21 18 A 7 TRP H A 6 ALA HA 1.0 . 3.53 22 19 A 1 GLY H1 A 14 ASP HA 1.0 . 3.97 23 20 A 7 TRP HA A 7 TRP HE3 1.0 . 5.50 24 21 A 2 ARG H A 2 ARG HGx 1.0 . 4.14 25 21 A 2 ARG H A 2 ARG HGy 1.0 . 4.14 26 22 A 2 ARG H A 2 ARG HBy 1.0 . 3.83 27 23 A 12 PHE H A 12 PHE HBx 1.0 . 4.05 28 24 A 6 ALA HB% A 7 TRP H 1.0 . 4.07 29 25 A 4 THR H A 3 CYS HA 1.0 . 3.04 30 26 A 12 PHE H A 11 CYS HA 1.0 . 3.06 31 27 A 10 ILE H A 4 THR H 1.0 . 4.24 32 28 A 14 ASP H A 12 PHE HBx 1.0 . 4.56 33 29 A 14 ASP H A 12 PHE HBy 1.0 . 4.56 34 30 A 11 CYS H A 10 ILE HD1% 1.0 . 4.77 35 31 A 14 ASP H A 13 PRO HDx 1.0 . 4.26 36 31 A 14 ASP H A 13 PRO HDy 1.0 . 4.26 37 32 A 5 GLN H A 4 THR HA 1.0 . 3.31 38 33 A 3 CYS HA A 11 CYS HA 1.0 . 3.01 39 34 A 5 GLN H A 4 THR HB 1.0 . 3.57 40 35 A 7 TRP HE3 A 9 PRO HDx 1.0 . 5.50 41 36 A 4 THR H A 11 CYS HA 1.0 . 4.15 42 37 A 12 PHE H A 12 PHE HD% 1.0 . 4.66 43 38 A 2 ARG H A 1 GLY H1 1.0 . 3.42 44 39 A 1 GLY H1 A 14 ASP H 1.0 . 3.67 45 40 A 4 THR H A 5 GLN H 1.0 . 4.53 46 41 A 12 PHE HA A 13 PRO HDx 1.0 . 3.10 47 41 A 13 PRO HDy A 12 PHE HA 1.0 . 3.10 48 42 A 7 TRP HA A 8 PRO HA 1.0 . 2.88 49 43 A 2 ARG HA A 2 ARG HDx 1.0 . 4.83 50 43 A 2 ARG HDy A 2 ARG HA 1.0 . 4.83 51 44 A 7 TRP HA A 9 PRO HDx 1.0 . 3.78 52 45 A 8 PRO HA A 9 PRO HA 1.0 . 4.41 53 46 A 9 PRO HDx A 8 PRO HA 1.0 . 2.97 54 47 A 8 PRO HA A 9 PRO HDy 1.0 . 3.63 55 48 A 9 PRO HDy A 8 PRO HBx 1.0 . 3.87 56 48 A 9 PRO HDy A 8 PRO HBy 1.0 . 3.87 57 49 A 10 ILE HG2% A 10 ILE HG1y 1.0 . 3.35 58 50 A 10 ILE HG2% A 10 ILE HG1x 1.0 . 3.35 59 51 A 2 ARG H A 2 ARG HBx 1.0 . 3.83 60 52 A 1 GLY H1 A 2 ARG HA 1.0 . 5.33 61 53 A 1 GLY H1 A 13 PRO HA 1.0 . 5.50 62 54 A 12 PHE H A 12 PHE HBy 1.0 . 4.05 63 55 A 3 CYS H A 3 CYS HBx 1.0 . 3.98 64 56 A 7 TRP HD1 A 7 TRP HBx 1.0 . 3.24 65 56 A 7 TRP HBy A 7 TRP HD1 1.0 . 3.24 66 57 A 2 ARG HA A 2 ARG HGx 1.0 . 3.90 67 57 A 2 ARG HGy A 2 ARG HA 1.0 . 3.90 68 58 A 10 ILE HD1% A 10 ILE HA 1.0 . 3.94 69 59 A 10 ILE HB A 10 ILE HD1% 1.0 . 3.33 70 60 A 4 THR HG2% A 4 THR HA 1.0 . 3.81 71 61 A 2 ARG H A 2 ARG HBy 1.0 . 3.30 72 61 A 2 ARG H A 2 ARG HBx 1.0 . 3.30 73 62 A 3 CYS H A 3 CYS HBy 1.0 . 3.29 74 62 A 3 CYS H A 3 CYS HBx 1.0 . 3.29 75 63 A 4 THR H A 3 CYS HBy 1.0 . 4.21 76 63 A 4 THR H A 3 CYS HBx 1.0 . 4.21 77 64 A 5 GLN H A 5 GLN HBy 1.0 . 3.50 78 64 A 5 GLN H A 5 GLN HBx 1.0 . 3.50 79 65 A 5 GLN HBy A 5 GLN HGx 1.0 . 2.31 80 65 A 5 GLN HBx A 5 GLN HGx 1.0 . 2.31 81 65 A 5 GLN HGy A 5 GLN HBy 1.0 . 2.31 82 65 A 5 GLN HGy A 5 GLN HBx 1.0 . 2.31 83 66 A 10 ILE H A 10 ILE HG1x 1.0 . 4.23 84 66 A 10 ILE H A 10 ILE HG1y 1.0 . 4.23 85 67 A 10 ILE HG2% A 10 ILE HG1x 1.0 . 2.54 86 67 A 10 ILE HG2% A 10 ILE HG1y 1.0 . 2.54 87 68 A 11 CYS H A 11 CYS HBy 1.0 . 3.34 88 68 A 11 CYS H A 11 CYS HBx 1.0 . 3.34 89 69 A 12 PHE H A 11 CYS HBy 1.0 . 4.21 90 69 A 12 PHE H A 11 CYS HBx 1.0 . 4.21 91 70 A 12 PHE H A 12 PHE HBy 1.0 . 3.33 92 70 A 12 PHE H A 12 PHE HBx 1.0 . 3.33 93 71 A 12 PHE HBx A 13 PRO HDx 1.0 . 3.46 94 71 A 12 PHE HBy A 13 PRO HDx 1.0 . 3.46 95 71 A 13 PRO HDy A 12 PHE HBy 1.0 . 3.46 96 71 A 13 PRO HDy A 12 PHE HBx 1.0 . 3.46 97 72 A 14 ASP H A 12 PHE HBy 1.0 . 3.70 98 72 A 14 ASP H A 12 PHE HBx 1.0 . 3.70 99 73 A 14 ASP H A 13 PRO HBy 1.0 . 4.05 100 73 A 14 ASP H A 13 PRO HBx 1.0 . 4.05 101 74 A 14 ASP H A 14 ASP HBy 1.0 . 3.53 102 74 A 14 ASP H A 14 ASP HBx 1.0 . 3.53 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 GLY C A 2 ARG N A 2 ARG CA A 2 ARG C 1.0 -87.7 -46.7 PHI 2 2 A 2 ARG N A 2 ARG CA A 2 ARG C A 3 CYS N 1.0 123.4 167.1 PSI 3 3 A 2 ARG C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -161.5 -116.5 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 THR N 1.0 131.8 171.8 PSI 5 5 A 6 ALA C A 7 TRP N A 7 TRP CA A 7 TRP C 1.0 -105.0 -46.2 PHI 6 6 A 7 TRP N A 7 TRP CA A 7 TRP C A 8 PRO N 1.0 111.4 162.6 PSI 7 7 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 PRO N 1.0 120.8 173.3 PSI 8 8 A 9 PRO C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -117.3 -51.0 PHI 9 9 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 CYS N 1.0 109.4 160.9 PSI 10 10 A 10 ILE C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -150.0 -90.0 PHI 11 11 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 PHE N 1.0 130.9 170.9 PSI 12 12 A 11 CYS C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -126.5 -39.6 PHI 13 13 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 PRO N 1.0 86.6 187.7 PSI 14 14 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 ASP N 1.0 -49.9 -9.9 PSI 15 15 A 4 THR C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -180.0 -20.0 PHI 16 16 A 3 CYS C A 4 THR N A 4 THR CA A 4 THR C 1.0 -180.0 -20.0 PHI 17 17 A 5 GLN C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -150.0 -90.0 PHI 18 18 A 13 PRO C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -180.0 -20.0 PHI 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.num_dimensions 1 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 2 ppm 1H 11.98 aliased stop_ save_