data_nef_c30145_5kx1 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 30138 BMRB 30140 BMRB 30141 BMRB 30142 BMRB 30143 BMRB 30144 BMRB 30146 PDB 5KX1 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 5 CYS SG 1 18 CYS SG 1 1 ASN N 1 22 LYS C 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 ASN cyclic . . 2 A 2 PRO middle . false 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 CYS middle -HG . 6 A 6 ARG middle . . 7 A 7 GLN middle . . 8 A 8 ASP middle . . 9 A 9 PRO middle . false 10 A 10 GLU middle . . 11 A 11 ALA middle . . 12 A 12 ASN middle . . 13 A 13 LYS middle . . 14 A 14 SER middle . . 15 A 15 PRO middle . false 16 A 16 GLU middle . . 17 A 17 GLU middle . . 18 A 18 CYS middle -HG . 19 A 19 LYS middle . . 20 A 20 LYS middle . . 21 A 21 LEU middle . . 22 A 22 LYS 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 ASN H H 1 8.128 0.002 A 1 ASN HA H 1 5.075 0.009 A 1 ASN HBx H 1 2.716 0.009 A 1 ASN HBy H 1 2.944 0.006 A 1 ASN HD21 H 1 7.719 0.002 A 1 ASN HD22 H 1 7.001 0.002 A 1 ASN CA C 13 50.717 0.000 A 1 ASN CB C 13 38.957 0.024 A 1 ASN N N 15 114.976 0.000 A 1 ASN ND2 N 15 112.847 0.013 A 2 PRO HA H 1 4.390 0.007 A 2 PRO HBx H 1 1.976 0.011 A 2 PRO HBy H 1 2.356 0.005 A 2 PRO HD2 H 1 3.802 0.004 A 2 PRO HD3 H 1 3.802 0.004 A 2 PRO HG2 H 1 2.068 0.002 A 2 PRO HG3 H 1 2.068 0.002 A 2 PRO CA C 13 64.799 0.000 A 2 PRO CB C 13 32.230 0.051 A 2 PRO CD C 13 51.189 0.000 A 2 PRO CG C 13 27.598 0.000 A 3 GLU H H 1 8.444 0.001 A 3 GLU HA H 1 4.160 0.007 A 3 GLU HB2 H 1 2.058 0.008 A 3 GLU HB3 H 1 2.058 0.008 A 3 GLU HG2 H 1 2.461 0.008 A 3 GLU HG3 H 1 2.461 0.008 A 3 GLU CA C 13 57.981 0.017 A 3 GLU CB C 13 28.404 0.000 A 3 GLU CG C 13 33.909 0.048 A 3 GLU N N 15 117.540 0.000 A 4 ASP H H 1 8.234 0.005 A 4 ASP HA H 1 4.609 0.012 A 4 ASP HBx H 1 2.851 0.014 A 4 ASP HBy H 1 2.904 0.024 A 4 ASP CA C 13 54.866 0.112 A 4 ASP CB C 13 39.056 0.161 A 4 ASP N N 15 118.778 0.000 A 5 CYS H H 1 7.792 0.004 A 5 CYS HA H 1 4.296 0.010 A 5 CYS HB2 H 1 3.221 0.003 A 5 CYS HB3 H 1 3.221 0.005 A 5 CYS CA C 13 56.734 0.088 A 5 CYS CB C 13 40.390 0.004 A 5 CYS N N 15 118.132 0.000 A 6 ARG H H 1 8.068 0.004 A 6 ARG HA H 1 4.211 0.005 A 6 ARG HBx H 1 1.851 0.004 A 6 ARG HBy H 1 1.884 0.011 A 6 ARG HD2 H 1 3.222 0.002 A 6 ARG HD3 H 1 3.222 0.002 A 6 ARG HE H 1 7.356 0.001 A 6 ARG HGx H 1 1.657 0.012 A 6 ARG HGy H 1 1.669 0.008 A 6 ARG CA C 13 57.478 0.025 A 6 ARG CB C 13 30.427 0.078 A 6 ARG CD C 13 43.327 0.051 A 6 ARG CG C 13 27.389 0.086 A 6 ARG N N 15 119.393 0.000 A 7 GLN H H 1 7.948 0.005 A 7 GLN HA H 1 4.312 0.007 A 7 GLN HBx H 1 2.010 0.009 A 7 GLN HBy H 1 2.173 0.009 A 7 GLN HE21 H 1 7.574 0.002 A 7 GLN HE22 H 1 6.908 0.004 A 7 GLN HGx H 1 2.389 0.005 A 7 GLN HGy H 1 2.392 0.006 A 7 GLN CA C 13 57.553 0.000 A 7 GLN CB C 13 29.317 0.037 A 7 GLN CG C 13 33.931 0.086 A 7 GLN N N 15 117.544 0.000 A 7 GLN NE2 N 15 111.988 0.001 A 8 ASP H H 1 7.929 0.005 A 8 ASP HA H 1 5.032 0.010 A 8 ASP HBx H 1 2.753 0.018 A 8 ASP HBy H 1 2.978 0.014 A 8 ASP CA C 13 51.185 0.000 A 8 ASP CB C 13 39.940 0.185 A 8 ASP N N 15 120.043 0.000 A 9 PRO HA H 1 4.399 0.003 A 9 PRO HB2 H 1 2.362 0.003 A 9 PRO HB3 H 1 2.362 0.003 A 9 PRO HD2 H 1 3.862 0.003 A 9 PRO HD3 H 1 3.862 0.003 A 9 PRO HG2 H 1 2.063 0.000 A 9 PRO HG3 H 1 2.063 0.000 A 9 PRO CA C 13 64.814 0.000 A 9 PRO CB C 13 32.317 0.000 A 9 PRO CD C 13 50.998 0.000 A 9 PRO CG C 13 27.552 0.000 A 10 GLU H H 1 8.290 0.004 A 10 GLU HA H 1 4.303 0.006 A 10 GLU HBx H 1 2.033 0.009 A 10 GLU HBy H 1 2.164 0.010 A 10 GLU HG2 H 1 2.467 0.014 A 10 GLU HG3 H 1 2.467 0.014 A 10 GLU CA C 13 56.022 0.105 A 10 GLU CB C 13 28.504 0.028 A 10 GLU CG C 13 33.772 0.088 A 10 GLU N N 15 116.806 0.000 A 11 ALA H H 1 7.913 0.003 A 11 ALA HA H 1 4.229 0.008 A 11 ALA HB% H 1 1.441 0.002 A 11 ALA CA C 13 53.253 0.010 A 11 ALA CB C 13 19.227 0.060 A 11 ALA N N 15 122.566 0.000 A 12 ASN H H 1 8.266 0.003 A 12 ASN HA H 1 4.546 0.006 A 12 ASN HB2 H 1 2.836 0.003 A 12 ASN HB3 H 1 2.836 0.003 A 12 ASN HD21 H 1 7.604 0.004 A 12 ASN HD22 H 1 6.916 0.001 A 12 ASN CA C 13 53.905 0.072 A 12 ASN CB C 13 38.506 0.080 A 12 ASN N N 15 115.516 0.000 A 12 ASN ND2 N 15 112.353 0.011 A 13 LYS H H 1 7.978 0.004 A 13 LYS HA H 1 4.383 0.005 A 13 LYS HBx H 1 1.796 0.005 A 13 LYS HBy H 1 1.853 0.010 A 13 LYS HD2 H 1 1.665 0.000 A 13 LYS HD3 H 1 1.661 0.003 A 13 LYS HGy H 1 1.433 0.008 A 13 LYS HGx H 1 1.428 0.009 A 13 LYS CA C 13 56.342 0.030 A 13 LYS CB C 13 33.425 0.059 A 13 LYS CG C 13 25.122 0.119 A 13 LYS N N 15 118.865 0.000 A 14 SER H H 1 8.189 0.001 A 14 SER HA H 1 4.861 0.004 A 14 SER HBx H 1 3.927 0.004 A 14 SER HBy H 1 4.052 0.007 A 14 SER CA C 13 55.939 0.000 A 14 SER CB C 13 63.404 0.032 A 14 SER N N 15 116.555 0.000 A 15 PRO HA H 1 4.359 0.006 A 15 PRO HB2 H 1 2.359 0.001 A 15 PRO HB3 H 1 2.359 0.001 A 15 PRO HD2 H 1 3.863 0.002 A 15 PRO HD3 H 1 3.863 0.002 A 15 PRO HGx H 1 2.005 0.000 A 15 PRO HGy H 1 2.134 0.000 A 15 PRO CA C 13 65.154 0.000 A 15 PRO CB C 13 32.312 0.000 A 15 PRO CD C 13 51.014 0.000 A 16 GLU H H 1 8.536 0.002 A 16 GLU HA H 1 4.107 0.007 A 16 GLU HB2 H 1 2.045 0.004 A 16 GLU HB3 H 1 2.045 0.004 A 16 GLU HG2 H 1 2.429 0.008 A 16 GLU HG3 H 1 2.429 0.008 A 16 GLU CA C 13 58.288 0.167 A 16 GLU CG C 13 34.458 0.000 A 16 GLU N N 15 117.610 0.000 A 17 GLU H H 1 8.025 0.004 A 17 GLU HA H 1 4.133 0.004 A 17 GLU HB2 H 1 2.167 0.008 A 17 GLU HB3 H 1 2.167 0.008 A 17 GLU HG2 H 1 2.443 0.004 A 17 GLU HG3 H 1 2.443 0.004 A 17 GLU CA C 13 58.345 0.000 A 17 GLU CB C 13 28.559 0.000 A 17 GLU CG C 13 33.861 0.000 A 17 GLU N N 15 119.360 0.000 A 18 CYS H H 1 8.391 0.004 A 18 CYS HA H 1 4.414 0.007 A 18 CYS HB2 H 1 3.224 0.001 A 18 CYS HB3 H 1 3.224 0.001 A 18 CYS CA C 13 57.780 0.027 A 18 CYS CB C 13 39.258 0.000 A 18 CYS N N 15 118.081 0.000 A 19 LYS H H 1 7.848 0.003 A 19 LYS HA H 1 4.116 0.003 A 19 LYS HBx H 1 1.878 0.006 A 19 LYS HBy H 1 1.887 0.013 A 19 LYS HD2 H 1 1.694 0.006 A 19 LYS HD3 H 1 1.694 0.006 A 19 LYS HE2 H 1 2.969 0.000 A 19 LYS HE3 H 1 2.969 0.000 A 19 LYS HGx H 1 1.480 0.007 A 19 LYS HGy H 1 1.559 0.003 A 19 LYS CA C 13 58.182 0.000 A 19 LYS CB C 13 32.682 0.005 A 19 LYS N N 15 117.662 0.000 A 20 LYS H H 1 7.508 0.006 A 20 LYS HA H 1 4.248 0.002 A 20 LYS HBx H 1 1.818 0.000 A 20 LYS HBy H 1 1.981 0.005 A 20 LYS HE2 H 1 2.975 0.000 A 20 LYS HE3 H 1 2.975 0.000 A 20 LYS HG2 H 1 1.439 0.000 A 20 LYS HG3 H 1 1.439 0.000 A 20 LYS CA C 13 56.976 0.000 A 20 LYS CB C 13 32.945 0.000 A 20 LYS N N 15 116.620 0.000 A 21 LEU H H 1 7.514 0.003 A 21 LEU HA H 1 4.327 0.002 A 21 LEU HBx H 1 1.574 0.007 A 21 LEU HBy H 1 1.740 0.007 A 21 LEU HD1% H 1 0.966 0.004 A 21 LEU HD2% H 1 0.873 0.003 A 21 LEU HG H 1 1.812 0.006 A 21 LEU CA C 13 54.873 0.088 A 21 LEU CB C 13 42.473 0.067 A 21 LEU CD1 C 13 26.157 0.076 A 21 LEU CD2 C 13 22.614 0.088 A 21 LEU CG C 13 27.182 0.000 A 21 LEU N N 15 119.567 0.000 A 22 LYS H H 1 8.388 0.004 A 22 LYS HA H 1 4.110 0.005 A 22 LYS HBx H 1 1.840 0.005 A 22 LYS HBy H 1 1.842 0.004 A 22 LYS HG2 H 1 1.452 0.002 A 22 LYS HG3 H 1 1.452 0.002 A 22 LYS CA C 13 58.099 0.006 A 22 LYS CB C 13 32.292 0.041 A 22 LYS CG C 13 25.025 0.000 A 22 LYS N N 15 119.740 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 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 11 ALA H A 11 ALA HB% 1.0 1.8 3.43 2 2 A 11 ALA HB% A 12 ASN H 1.0 1.8 3.98 3 3 A 13 LYS H A 12 ASN HB2 1.0 1.8 5.29 4 4 A 13 LYS H A 12 ASN HB3 1.0 1.8 5.29 5 5 A 12 ASN H A 13 LYS H 1.0 1.8 4.00 6 6 A 11 ALA HB% A 13 LYS H 1.0 1.8 5.36 7 7 A 13 LYS H A 14 SER H 1.0 1.8 4.47 8 8 A 14 SER HA A 15 PRO HD2 1.0 1.8 3.81 9 9 A 14 SER HA A 15 PRO HD3 1.0 1.8 3.81 10 10 A 21 LEU HA A 22 LYS H 1.0 1.8 3.31 11 11 A 18 CYS H A 20 LYS H 1.0 1.8 4.33 12 12 A 20 LYS H A 19 LYS H 1.0 1.8 3.93 13 13 A 3 GLU H A 4 ASP H 1.0 1.8 3.89 14 14 A 4 ASP H A 5 CYS H 1.0 1.8 3.77 15 15 A 5 CYS H A 6 ARG H 1.0 1.8 4.09 16 16 A 6 ARG H A 7 GLN H 1.0 1.8 4.47 17 17 A 16 GLU H A 17 GLU H 1.0 1.8 3.91 18 18 A 22 LYS H A 22 LYS HBx 1.0 1.8 4.03 19 19 A 22 LYS H A 22 LYS HBy 1.0 1.8 4.03 20 20 A 21 LEU H A 21 LEU HD1% 1.0 1.8 4.78 21 21 A 21 LEU H A 21 LEU HD2% 1.0 1.8 4.78 22 22 A 20 LYS H A 20 LYS HBx 1.0 1.8 4.17 23 23 A 20 LYS H A 20 LYS HBy 1.0 1.8 4.17 24 24 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.88 25 25 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.88 26 26 A 20 LYS H A 20 LYS HG2 1.0 1.8 4.94 27 26 A 20 LYS H A 20 LYS HG3 1.0 1.8 4.94 28 27 A 21 LEU H A 20 LYS HG2 1.0 1.8 5.21 29 27 A 21 LEU H A 20 LYS HG3 1.0 1.8 5.21 30 28 A 19 LYS H A 18 CYS HB2 1.0 1.8 4.57 31 29 A 19 LYS H A 18 CYS HB3 1.0 1.8 4.57 32 30 A 19 LYS H A 19 LYS HGx 1.0 1.8 4.57 33 31 A 19 LYS H A 19 LYS HGy 1.0 1.8 4.57 34 32 A 18 CYS H A 19 LYS H 1.0 1.8 3.89 35 33 A 21 LEU H A 18 CYS HA 1.0 1.8 4.70 36 34 A 5 CYS H A 5 CYS HB2 1.0 1.8 3.92 37 35 A 5 CYS H A 5 CYS HB3 1.0 1.8 3.92 38 36 A 18 CYS H A 17 GLU HG2 1.0 1.8 5.50 39 37 A 18 CYS H A 17 GLU HG3 1.0 1.8 5.50 40 38 A 18 CYS H A 17 GLU HB2 1.0 1.8 4.91 41 39 A 18 CYS H A 17 GLU HB3 1.0 1.8 4.91 42 40 A 18 CYS H A 17 GLU H 1.0 1.8 3.78 43 41 A 17 GLU H A 17 GLU HG2 1.0 1.8 5.13 44 42 A 17 GLU H A 17 GLU HG3 1.0 1.8 5.13 45 43 A 17 GLU H A 16 GLU HB2 1.0 1.8 4.63 46 44 A 17 GLU H A 16 GLU HB3 1.0 1.8 4.63 47 45 A 16 GLU H A 16 GLU HB2 1.0 1.8 3.93 48 46 A 16 GLU H A 16 GLU HB3 1.0 1.8 3.93 49 47 A 16 GLU H A 16 GLU HG2 1.0 1.8 5.39 50 48 A 16 GLU H A 16 GLU HG3 1.0 1.8 5.39 51 49 A 12 ASN H A 12 ASN HB2 1.0 1.8 4.06 52 50 A 12 ASN H A 12 ASN HB3 1.0 1.8 4.06 53 51 A 7 GLN H A 7 GLN HBy 1.0 1.8 4.15 54 52 A 7 GLN H A 7 GLN HGx 1.0 1.8 5.40 55 53 A 7 GLN H A 7 GLN HGy 1.0 1.8 5.40 56 54 A 3 GLU H A 3 GLU HG2 1.0 1.8 5.32 57 55 A 3 GLU H A 3 GLU HG3 1.0 1.8 5.32 58 56 A 7 GLN H A 7 GLN HBx 1.0 1.8 4.15 59 57 A 10 GLU H A 10 GLU HG2 1.0 1.8 5.50 60 58 A 10 GLU H A 10 GLU HG3 1.0 1.8 5.50 61 59 A 22 LYS H A 22 LYS HG2 1.0 1.8 5.50 62 60 A 22 LYS H A 22 LYS HG3 1.0 1.8 5.50 63 61 A 19 LYS H A 19 LYS HBx 1.0 1.8 4.11 64 62 A 19 LYS H A 19 LYS HBy 1.0 1.8 4.11 65 63 A 19 LYS HA A 19 LYS HD2 1.0 1.8 5.39 66 64 A 19 LYS HA A 19 LYS HD3 1.0 1.8 5.39 67 65 A 21 LEU HA A 21 LEU HD2% 1.0 1.8 4.24 68 66 A 6 ARG HA A 6 ARG HD2 1.0 1.8 5.30 69 67 A 6 ARG HA A 6 ARG HD3 1.0 1.8 5.30 70 68 A 11 ALA H A 10 GLU H 1.0 1.8 3.53 71 69 A 19 LYS HA A 19 LYS HE2 1.0 1.8 5.50 72 70 A 19 LYS HA A 19 LYS HE3 1.0 1.8 5.50 73 71 A 19 LYS H A 19 LYS HD2 1.0 1.8 5.50 74 72 A 19 LYS H A 19 LYS HD3 1.0 1.8 5.50 75 73 A 21 LEU HA A 21 LEU HD1% 1.0 1.8 4.24 76 74 A 8 ASP HA A 9 PRO HD2 1.0 1.8 3.91 77 75 A 8 ASP HA A 9 PRO HD3 1.0 1.8 3.91 78 76 A 20 LYS HA A 20 LYS HG2 1.0 1.8 3.25 79 76 A 20 LYS HG3 A 20 LYS HA 1.0 1.8 3.25 80 77 A 1 ASN HA A 2 PRO HD2 1.0 1.8 3.19 81 77 A 2 PRO HD3 A 1 ASN HA 1.0 1.8 3.19 82 78 A 1 ASN HBy A 2 PRO HD2 1.0 1.8 4.20 83 78 A 2 PRO HD3 A 1 ASN HBx 1.0 1.8 4.20 84 78 A 1 ASN HBy A 2 PRO HD3 1.0 1.8 4.20 85 78 A 1 ASN HBx A 2 PRO HD2 1.0 1.8 4.20 86 79 A 3 GLU H A 2 PRO HG2 1.0 1.8 3.92 87 79 A 3 GLU H A 2 PRO HG3 1.0 1.8 3.92 88 80 A 3 GLU H A 3 GLU HG3 1.0 1.8 4.55 89 80 A 3 GLU H A 3 GLU HG2 1.0 1.8 4.55 90 81 A 4 ASP HBx A 21 LEU HD1% 1.0 1.8 4.15 91 81 A 4 ASP HBy A 21 LEU HD1% 1.0 1.8 4.15 92 81 A 21 LEU HD2% A 4 ASP HBx 1.0 1.8 4.15 93 81 A 4 ASP HBy A 21 LEU HD2% 1.0 1.8 4.15 94 82 A 5 CYS H A 5 CYS HB3 1.0 1.8 3.31 95 82 A 5 CYS H A 5 CYS HB2 1.0 1.8 3.31 96 83 A 5 CYS H A 21 LEU HD1% 1.0 1.8 4.88 97 83 A 5 CYS H A 21 LEU HD2% 1.0 1.8 4.88 98 84 A 5 CYS HA A 21 LEU HD1% 1.0 1.8 4.20 99 84 A 21 LEU HD2% A 5 CYS HA 1.0 1.8 4.20 100 85 A 6 ARG H A 5 CYS HB3 1.0 1.8 4.08 101 85 A 6 ARG H A 5 CYS HB2 1.0 1.8 4.08 102 86 A 5 CYS HB3 A 21 LEU HD1% 1.0 1.8 4.16 103 86 A 5 CYS HB2 A 21 LEU HD1% 1.0 1.8 4.16 104 86 A 21 LEU HD2% A 5 CYS HB3 1.0 1.8 4.16 105 86 A 21 LEU HD2% A 5 CYS HB2 1.0 1.8 4.16 106 87 A 6 ARG H A 6 ARG HBx 1.0 1.8 3.46 107 87 A 6 ARG H A 6 ARG HBy 1.0 1.8 3.46 108 88 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.06 109 88 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.06 110 89 A 7 GLN H A 6 ARG HBx 1.0 1.8 4.29 111 89 A 7 GLN H A 6 ARG HBy 1.0 1.8 4.29 112 90 A 7 GLN H A 7 GLN HBy 1.0 1.8 3.52 113 90 A 7 GLN H A 7 GLN HBx 1.0 1.8 3.52 114 91 A 7 GLN H A 7 GLN HGx 1.0 1.8 4.65 115 91 A 7 GLN H A 7 GLN HGy 1.0 1.8 4.65 116 92 A 8 ASP H A 8 ASP HBx 1.0 1.8 3.54 117 92 A 8 ASP H A 8 ASP HBy 1.0 1.8 3.54 118 93 A 8 ASP H A 9 PRO HD3 1.0 1.8 4.72 119 93 A 8 ASP H A 9 PRO HD2 1.0 1.8 4.72 120 94 A 8 ASP HA A 9 PRO HD3 1.0 1.8 3.38 121 94 A 8 ASP HA A 9 PRO HD2 1.0 1.8 3.38 122 95 A 8 ASP HBy A 9 PRO HD3 1.0 1.8 4.55 123 95 A 8 ASP HBx A 9 PRO HD3 1.0 1.8 4.55 124 95 A 9 PRO HD2 A 8 ASP HBx 1.0 1.8 4.55 125 95 A 8 ASP HBy A 9 PRO HD2 1.0 1.8 4.55 126 96 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.38 127 96 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.38 128 97 A 10 GLU H A 10 GLU HG3 1.0 1.8 4.77 129 97 A 10 GLU H A 10 GLU HG2 1.0 1.8 4.77 130 98 A 12 ASN H A 12 ASN HB3 1.0 1.8 3.39 131 98 A 12 ASN H A 12 ASN HB2 1.0 1.8 3.39 132 99 A 13 LYS H A 13 LYS HBx 1.0 1.8 3.55 133 99 A 13 LYS H A 13 LYS HBy 1.0 1.8 3.55 134 100 A 13 LYS H A 13 LYS HGy 1.0 1.8 5.34 135 100 A 13 LYS H A 13 LYS HGx 1.0 1.8 5.34 136 101 A 14 SER H A 13 LYS HBx 1.0 1.8 4.24 137 101 A 14 SER H A 13 LYS HBy 1.0 1.8 4.24 138 102 A 14 SER H A 14 SER HBx 1.0 1.8 3.67 139 102 A 14 SER H A 14 SER HBy 1.0 1.8 3.67 140 103 A 14 SER HA A 15 PRO HD3 1.0 1.8 3.30 141 103 A 14 SER HA A 15 PRO HD2 1.0 1.8 3.30 142 104 A 14 SER HBy A 15 PRO HD3 1.0 1.8 4.38 143 104 A 15 PRO HD2 A 14 SER HBx 1.0 1.8 4.38 144 104 A 14 SER HBy A 15 PRO HD2 1.0 1.8 4.38 145 104 A 14 SER HBx A 15 PRO HD3 1.0 1.8 4.38 146 105 A 16 GLU H A 16 GLU HB3 1.0 1.8 3.21 147 105 A 16 GLU H A 16 GLU HB2 1.0 1.8 3.21 148 106 A 16 GLU H A 16 GLU HG3 1.0 1.8 4.61 149 106 A 16 GLU H A 16 GLU HG2 1.0 1.8 4.61 150 107 A 17 GLU H A 16 GLU HB3 1.0 1.8 4.02 151 107 A 17 GLU H A 16 GLU HB2 1.0 1.8 4.02 152 108 A 17 GLU HA A 16 GLU HB3 1.0 1.8 4.31 153 108 A 16 GLU HB2 A 17 GLU HA 1.0 1.8 4.31 154 109 A 17 GLU H A 17 GLU HB3 1.0 1.8 3.59 155 109 A 17 GLU H A 17 GLU HB2 1.0 1.8 3.59 156 110 A 18 CYS H A 17 GLU HB3 1.0 1.8 4.18 157 110 A 18 CYS H A 17 GLU HB2 1.0 1.8 4.18 158 111 A 18 CYS H A 17 GLU HG3 1.0 1.8 4.75 159 111 A 18 CYS H A 17 GLU HG2 1.0 1.8 4.75 160 112 A 18 CYS H A 18 CYS HB3 1.0 1.8 3.24 161 112 A 18 CYS H A 18 CYS HB2 1.0 1.8 3.24 162 113 A 18 CYS HA A 21 LEU HD1% 1.0 1.8 4.10 163 113 A 18 CYS HA A 21 LEU HD2% 1.0 1.8 4.10 164 114 A 19 LYS H A 18 CYS HB3 1.0 1.8 3.97 165 114 A 19 LYS H A 18 CYS HB2 1.0 1.8 3.97 166 115 A 19 LYS H A 19 LYS HBy 1.0 1.8 3.47 167 115 A 19 LYS H A 19 LYS HBx 1.0 1.8 3.47 168 116 A 19 LYS HA A 19 LYS HD3 1.0 1.8 4.63 169 116 A 19 LYS HA A 19 LYS HD2 1.0 1.8 4.63 170 117 A 20 LYS H A 20 LYS HBy 1.0 1.8 3.45 171 117 A 20 LYS H A 20 LYS HBx 1.0 1.8 3.45 172 118 A 21 LEU H A 20 LYS HBy 1.0 1.8 3.97 173 118 A 21 LEU H A 20 LYS HBx 1.0 1.8 3.97 174 119 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.34 175 119 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.34 176 120 A 21 LEU HA A 21 LEU HD1% 1.0 1.8 3.25 177 120 A 21 LEU HA A 21 LEU HD2% 1.0 1.8 3.25 178 121 A 22 LYS H A 21 LEU HBy 1.0 1.8 3.94 179 121 A 22 LYS H A 21 LEU HBx 1.0 1.8 3.94 180 122 A 22 LYS H A 21 LEU HD1% 1.0 1.8 4.81 181 122 A 22 LYS H A 21 LEU HD2% 1.0 1.8 4.81 182 123 A 22 LYS H A 22 LYS HBy 1.0 1.8 3.39 183 123 A 22 LYS H A 22 LYS HBx 1.0 1.8 3.39 184 124 A 22 LYS H A 22 LYS HG3 1.0 1.8 4.78 185 124 A 22 LYS H A 22 LYS HG2 1.0 1.8 4.78 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 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 5 CYS H A 1 ASN O 1.0 0.0 2.0 2 2 A 1 ASN O A 5 CYS N 1.0 0.0 3.0 3 3 A 21 LEU H A 17 GLU O 1.0 0.0 2.0 4 4 A 17 GLU O A 21 LEU N 1.0 0.0 3.0 5 5 A 19 LYS H A 15 PRO O 1.0 0.0 2.0 6 6 A 15 PRO O A 19 LYS N 1.0 0.0 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 1 ASN N A 1 ASN CA A 1 ASN C A 2 PRO N 1.0 40.0 100.0 PSI 2 2 A 2 PRO C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -100.0 -40.0 PHI 3 3 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 -60.0 0.0 PSI 4 4 A 3 GLU C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -100.0 -20.0 PHI 5 5 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 CYS N 1.0 -70.0 0.0 PSI 6 6 A 4 ASP C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -90.0 -30.0 PHI 7 7 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 ARG N 1.0 -60.0 0.0 PSI 8 8 A 5 CYS C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -100.0 -20.0 PHI 9 9 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 GLN N 1.0 -60.0 0.0 PSI 10 10 A 6 ARG C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -120.0 -20.0 PHI 11 11 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 ASP N 1.0 -60.0 20.0 PSI 12 12 A 7 GLN C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -180.0 -60.0 PHI 13 13 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 PRO N 1.0 30.0 150.0 PSI 14 14 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 GLU N 1.0 -60.0 0.0 PSI 15 15 A 9 PRO C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -120.0 -20.0 PHI 16 16 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ALA N 1.0 -60.0 0.0 PSI 17 17 A 10 GLU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -90.0 -30.0 PHI 18 18 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ASN N 1.0 -60.0 0.0 PSI 19 19 A 11 ALA C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -120.0 -20.0 PHI 20 20 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 LYS N 1.0 -60.0 0.0 PSI 21 21 A 12 ASN C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -180.0 -20.0 PHI 22 22 A 13 LYS C A 14 SER N A 14 SER CA A 14 SER C 1.0 -180.0 -20.0 PHI 23 23 A 14 SER N A 14 SER CA A 14 SER C A 15 PRO N 1.0 100.0 180.0 PSI 24 24 A 15 PRO C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -120.0 -20.0 PHI 25 25 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 GLU N 1.0 -70.0 10.0 PSI 26 26 A 16 GLU C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -90.0 -30.0 PHI 27 27 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 CYS N 1.0 -60.0 0.0 PSI 28 28 A 17 GLU C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -90.0 -30.0 PHI 29 29 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 LYS N 1.0 -60.0 0.0 PSI 30 30 A 18 CYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -120.0 -20.0 PHI 31 31 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 LYS N 1.0 -60.0 0.0 PSI 32 32 A 19 LYS C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -120.0 -20.0 PHI 33 33 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 LEU N 1.0 -70.0 0.0 PSI 34 34 A 20 LYS C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -180.0 -20.0 PHI 35 35 A 21 LEU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -180.0 -20.0 PHI 36 36 A 1 ASN N A 1 ASN CA A 1 ASN CB A 1 ASN CG 1.0 -90.0 -30.0 CHI1 37 37 A 7 GLN N A 7 GLN CA A 7 GLN CB A 7 GLN CG 1.0 150.0 210.0 CHI1 38 38 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -90.0 -30.0 CHI1 39 39 A 10 GLU N A 10 GLU CA A 10 GLU CB A 10 GLU CG 1.0 150.0 210.0 CHI1 40 40 A 14 SER N A 14 SER CA A 14 SER CB A 14 SER OG 1.0 30.0 90.0 CHI1 41 41 A 20 LYS N A 20 LYS CA A 20 LYS CB A 20 LYS CG 1.0 150.0 210.0 CHI1 42 42 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -90.0 -30.0 CHI1 stop_ save_