data_nef_c30144_5kx0 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 30145 BMRB 30146 PDB 5KX0 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 8 CYS SG 1 21 DCY SG 1 11 LEU C 1 12 DAS N 1 12 DAS C 1 13 THR N 1 14 ARG C 1 15 DPR N 1 15 DPR C 1 16 DGL N 1 16 DGL C 1 17 DAL N 1 17 DAL C 1 18 DGL N 1 18 DGL C 1 19 DAR N 1 19 DAR C 1 20 DLY N 1 20 DLY C 1 21 DCY N 1 21 DCY C 1 22 DAR N 1 22 DAR C 1 23 DGL N 1 23 DGL C 1 24 DGL N 1 24 DGL C 1 25 SER N 1 1 ASN N 1 26 ASP 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 LEU middle . . 5 A 5 GLN middle . . 6 A 6 ARG middle . . 7 A 7 LYS middle . . 8 A 8 CYS middle -HG . 9 A 9 LYS middle . . 10 A 10 GLU middle . . 11 A 11 LEU middle -OXT . 12 A 12 DAS middle -H2,-OXT . 13 A 13 THR middle -H2 . 14 A 14 ARG middle -OXT . 15 A 15 DPR middle -H,-OXT . 16 A 16 DGL middle -H2,-OXT . 17 A 17 DAL middle -H2,-OXT . 18 A 18 DGL middle -H2,-OXT . 19 A 19 DAR middle -H2,-OXT . 20 A 20 DLY middle -H2,-OXT . 21 A 21 DCY middle -H2,-OXT . 22 A 22 DAR middle -H2,-OXT . 23 A 23 DGL middle -H2,-OXT . 24 A 24 DGL middle -H2,-OXT . 25 A 25 SER middle -H2 . 26 A 26 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 ASN H H 1 8.364 0.001 A 1 ASN HA H 1 4.847 0.007 A 1 ASN HBx H 1 2.837 0.003 A 1 ASN HBy H 1 2.901 0.004 A 1 ASN HD21 H 1 7.945 0.001 A 1 ASN HD22 H 1 7.212 0.004 A 1 ASN CA C 13 51.840 0.000 A 1 ASN CB C 13 39.279 0.010 A 1 ASN N N 15 122.514 0.000 A 1 ASN ND2 N 15 113.992 0.006 A 2 PRO HA H 1 4.329 0.005 A 2 PRO HBx H 1 2.009 0.002 A 2 PRO HBy H 1 2.403 0.004 A 2 PRO HDx H 1 3.842 0.002 A 2 PRO HDy H 1 4.135 0.003 A 2 PRO HGx H 1 2.080 0.004 A 2 PRO HGy H 1 2.154 0.005 A 2 PRO CA C 13 65.512 0.000 A 2 PRO CB C 13 32.294 0.000 A 2 PRO CD C 13 51.210 0.001 A 3 GLU H H 1 7.939 0.001 A 3 GLU HA H 1 4.160 0.002 A 3 GLU HBx H 1 2.081 0.001 A 3 GLU HBy H 1 2.145 0.000 A 3 GLU HG2 H 1 2.428 0.006 A 3 GLU HG3 H 1 2.438 0.008 A 3 GLU N N 15 117.522 0.000 A 4 LEU H H 1 7.753 0.002 A 4 LEU HA H 1 4.139 0.004 A 4 LEU HBx H 1 1.646 0.006 A 4 LEU HBy H 1 1.790 0.002 A 4 LEU HD1% H 1 0.964 0.003 A 4 LEU HD2% H 1 0.869 0.004 A 4 LEU CB C 13 41.165 0.015 A 4 LEU CD1 C 13 24.688 0.000 A 4 LEU CD2 C 13 23.739 0.000 A 4 LEU N N 15 121.171 0.000 A 5 GLN H H 1 8.500 0.001 A 5 GLN HA H 1 4.011 0.002 A 5 GLN HBx H 1 2.041 0.001 A 5 GLN HBy H 1 2.128 0.007 A 5 GLN HE21 H 1 7.574 0.002 A 5 GLN HE22 H 1 6.819 0.003 A 5 GLN HGx H 1 2.343 0.003 A 5 GLN HGy H 1 2.489 0.006 A 5 GLN CA C 13 59.256 0.000 A 5 GLN CG C 13 34.188 0.000 A 5 GLN N N 15 119.095 0.000 A 5 GLN NE2 N 15 111.480 0.007 A 6 ARG H H 1 7.853 0.002 A 6 ARG HA H 1 4.059 0.004 A 6 ARG HB2 H 1 1.940 0.003 A 6 ARG HB3 H 1 1.940 0.003 A 6 ARG HD2 H 1 3.219 0.002 A 6 ARG HD3 H 1 3.219 0.002 A 6 ARG HE H 1 7.327 0.002 A 6 ARG HGx H 1 1.606 0.002 A 6 ARG HGy H 1 1.784 0.003 A 6 ARG CA C 13 59.485 0.000 A 6 ARG CD C 13 43.283 0.000 A 7 LYS H H 1 7.738 0.003 A 7 LYS HA H 1 4.081 0.007 A 7 LYS HBx H 1 1.902 0.000 A 7 LYS HBy H 1 1.904 0.005 A 7 LYS HE2 H 1 2.961 0.000 A 7 LYS HE3 H 1 2.961 0.000 A 7 LYS HG2 H 1 1.457 0.002 A 7 LYS HG3 H 1 1.457 0.001 A 7 LYS CA C 13 58.747 0.000 A 7 LYS CB C 13 32.173 0.000 A 7 LYS CG C 13 25.212 0.000 A 7 LYS N N 15 119.007 0.000 A 8 CYS H H 1 8.445 0.003 A 8 CYS HA H 1 4.437 0.002 A 8 CYS HBx H 1 3.168 0.003 A 8 CYS HBy H 1 3.301 0.004 A 8 CYS CA C 13 56.920 0.000 A 8 CYS CB C 13 36.067 0.002 A 8 CYS N N 15 118.244 0.000 A 9 LYS H H 1 7.979 0.003 A 9 LYS HA H 1 4.161 0.004 A 9 LYS HB2 H 1 1.949 0.003 A 9 LYS HB3 H 1 1.949 0.003 A 9 LYS HD2 H 1 1.703 0.000 A 9 LYS HD3 H 1 1.703 0.000 A 9 LYS HE2 H 1 2.990 0.001 A 9 LYS HE3 H 1 2.990 0.001 A 9 LYS HG2 H 1 1.517 0.001 A 9 LYS HG3 H 1 1.517 0.001 A 9 LYS HZ1 H 1 7.554 0.001 A 9 LYS HZ2 H 1 7.554 0.001 A 9 LYS HZ3 H 1 7.554 0.001 A 9 LYS CG C 13 24.995 0.000 A 10 GLU H H 1 7.603 0.002 A 10 GLU HA H 1 4.155 0.005 A 10 GLU HB2 H 1 2.172 0.003 A 10 GLU HB3 H 1 2.172 0.003 A 10 GLU HGx H 1 2.489 0.002 A 10 GLU HGy H 1 2.591 0.001 A 10 GLU N N 15 116.303 0.000 A 11 LEU H H 1 7.695 0.002 A 11 LEU HA H 1 4.150 0.004 A 11 LEU HBx H 1 1.552 0.007 A 11 LEU HBy H 1 1.818 0.002 A 11 LEU HD1% H 1 0.846 0.007 A 11 LEU HD2% H 1 0.827 0.008 A 11 LEU CB C 13 43.030 0.004 A 11 LEU CD1 C 13 25.336 0.000 A 11 LEU CD2 C 13 23.549 0.000 A 11 LEU N N 15 119.093 0.000 A 12 DAS H H 1 7.316 0.002 A 12 DAS HA H 1 4.651 0.006 A 12 DAS HB2 H 1 2.936 0.003 A 12 DAS HB3 H 1 2.936 0.003 A 12 DAS CA C 13 54.421 0.000 A 12 DAS N N 15 117.569 0.000 A 13 THR H H 1 8.842 0.003 A 13 THR HA H 1 4.451 0.003 A 13 THR HB H 1 4.589 0.003 A 13 THR HG2% H 1 1.168 0.001 A 13 THR CA C 13 61.037 0.000 A 13 THR CB C 13 69.447 0.000 A 13 THR CG2 C 13 21.193 0.000 A 13 THR N N 15 116.759 0.000 A 14 ARG H H 1 8.011 0.002 A 14 ARG HA H 1 4.513 0.002 A 14 ARG HBx H 1 1.917 0.003 A 14 ARG HBy H 1 2.000 0.004 A 14 ARG HDx H 1 3.276 0.003 A 14 ARG HDy H 1 3.334 0.005 A 14 ARG HE H 1 7.260 0.001 A 14 ARG HG2 H 1 1.799 0.005 A 14 ARG HG3 H 1 1.799 0.005 A 14 ARG CA C 13 56.168 0.000 A 14 ARG CB C 13 29.341 0.000 A 14 ARG CD C 13 43.613 0.013 A 14 ARG CG C 13 27.706 0.000 A 14 ARG N N 15 124.904 0.000 A 15 DPR HA H 1 4.381 0.003 A 15 DPR HBy H 1 2.404 0.003 A 15 DPR HBx H 1 2.052 0.007 A 15 DPR HDy H 1 4.101 0.002 A 15 DPR HDx H 1 3.743 0.003 A 15 DPR HG2 H 1 2.109 0.001 A 15 DPR HG3 H 1 2.109 0.001 A 15 DPR CA C 13 65.124 0.000 A 15 DPR CB C 13 31.885 0.000 A 15 DPR CD C 13 50.709 0.011 A 16 DGL H H 1 8.309 0.001 A 16 DGL HA H 1 4.215 0.002 A 16 DGL HB2 H 1 2.171 0.002 A 16 DGL HB3 H 1 2.171 0.002 A 16 DGL HG2 H 1 2.527 0.003 A 16 DGL HG3 H 1 2.527 0.003 A 16 DGL CA C 13 57.904 0.000 A 16 DGL N N 15 117.123 0.000 A 17 DAL H H 1 7.487 0.002 A 17 DAL HA H 1 4.167 0.003 A 17 DAL HB% H 1 1.459 0.002 A 17 DAL CB C 13 19.431 0.000 A 17 DAL N N 15 121.796 0.000 A 18 DGL H H 1 7.854 0.003 A 18 DGL HA H 1 3.766 0.004 A 18 DGL HB2 H 1 2.101 0.002 A 18 DGL HB3 H 1 2.101 0.002 A 18 DGL HGy H 1 2.418 0.004 A 18 DGL HGx H 1 2.392 0.004 A 18 DGL CA C 13 59.592 0.000 A 19 DAR H H 1 7.903 0.001 A 19 DAR HA H 1 4.000 0.003 A 19 DAR HB2 H 1 1.882 0.003 A 19 DAR HB3 H 1 1.882 0.003 A 19 DAR HD2 H 1 3.222 0.000 A 19 DAR HD3 H 1 3.222 0.000 A 19 DAR HE H 1 7.288 0.002 A 19 DAR HGy H 1 1.708 0.007 A 19 DAR HGx H 1 1.572 0.006 A 19 DAR CA C 13 59.323 0.000 A 19 DAR CG C 13 27.259 0.008 A 19 DAR N N 15 117.996 0.000 A 20 DLY H H 1 7.796 0.003 A 20 DLY HA H 1 4.099 0.004 A 20 DLY HB2 H 1 1.888 0.005 A 20 DLY HB3 H 1 1.888 0.005 A 20 DLY HD2 H 1 1.676 0.000 A 20 DLY HD3 H 1 1.676 0.000 A 20 DLY HG2 H 1 1.515 0.004 A 20 DLY HG3 H 1 1.396 0.005 A 20 DLY CA C 13 58.875 0.000 A 20 DLY CG C 13 24.910 0.000 A 20 DLY N N 15 119.732 0.000 A 21 DCY H H 1 8.436 0.002 A 21 DCY HA H 1 4.356 0.004 A 21 DCY HB2 H 1 3.051 0.013 A 21 DCY HB3 H 1 3.023 0.017 A 21 DCY CA C 13 57.600 0.000 A 21 DCY CB C 13 37.240 0.009 A 21 DCY N N 15 117.019 0.000 A 22 DAR H H 1 7.969 0.002 A 22 DAR HA H 1 4.057 0.003 A 22 DAR HB2 H 1 1.937 0.000 A 22 DAR HB3 H 1 1.937 0.000 A 22 DAR HD2 H 1 3.221 0.003 A 22 DAR HD3 H 1 3.221 0.003 A 22 DAR HG2 H 1 1.792 0.002 A 22 DAR HG3 H 1 1.654 0.000 A 22 DAR CA C 13 59.449 0.000 A 22 DAR CB C 13 29.980 0.000 A 22 DAR CG C 13 27.706 0.000 A 23 DGL H H 1 7.921 0.002 A 23 DGL HA H 1 4.146 0.003 A 23 DGL HB2 H 1 2.175 0.002 A 23 DGL HB3 H 1 2.175 0.002 A 23 DGL HG2 H 1 2.577 0.008 A 23 DGL HG3 H 1 2.473 0.000 A 23 DGL N N 15 118.349 0.000 A 24 DGL H H 1 7.976 0.003 A 24 DGL HA H 1 4.150 0.002 A 24 DGL HB2 H 1 2.144 0.005 A 24 DGL HB3 H 1 2.144 0.005 A 24 DGL HG2 H 1 2.632 0.009 A 24 DGL HG3 H 1 2.530 0.006 A 25 SER H H 1 7.262 0.004 A 25 SER HA H 1 4.200 0.001 A 25 SER HB2 H 1 3.676 0.005 A 25 SER HB3 H 1 4.132 0.003 A 25 SER CB C 13 63.723 0.008 A 25 SER N N 15 111.259 0.000 A 26 ASP H H 1 8.567 0.002 A 26 ASP HA H 1 4.768 0.006 A 26 ASP HB2 H 1 2.925 0.003 A 26 ASP HB3 H 1 2.925 0.003 A 26 ASP CB C 13 41.871 0.000 A 26 ASP N N 15 123.307 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 1 ASN HA A 2 PRO HDx 1.0 1.8 3.57 2 2 A 1 ASN HA A 2 PRO HDy 1.0 1.8 3.57 3 3 A 1 ASN HA A 3 GLU H 1.0 1.8 5.32 4 4 A 4 LEU HA A 4 LEU HD2% 1.0 1.8 4.46 5 5 A 4 LEU H A 4 LEU HD1% 1.0 1.8 5.21 6 6 A 4 LEU H A 4 LEU HD2% 1.0 1.8 5.21 7 7 A 4 LEU H A 4 LEU HBy 1.0 1.8 3.53 8 8 A 4 LEU H A 4 LEU HBx 1.0 1.8 3.53 9 9 A 4 LEU H A 3 GLU HBx 1.0 1.8 4.06 10 10 A 4 LEU H A 3 GLU HBy 1.0 1.8 4.06 11 11 A 3 GLU H A 4 LEU H 1.0 1.8 3.62 12 12 A 5 GLN H A 4 LEU HBx 1.0 1.8 4.19 13 13 A 5 GLN H A 4 LEU HBy 1.0 1.8 4.19 14 14 A 5 GLN H A 5 GLN HBx 1.0 1.8 4.05 15 15 A 5 GLN H A 5 GLN HBy 1.0 1.8 4.05 16 16 A 5 GLN H A 5 GLN HGx 1.0 1.8 4.39 17 17 A 5 GLN H A 5 GLN HGy 1.0 1.8 4.39 18 18 A 5 GLN H A 2 PRO HA 1.0 1.8 3.97 19 19 A 5 GLN H A 6 ARG H 1.0 1.8 3.79 20 20 A 4 LEU H A 5 GLN H 1.0 1.8 3.53 21 21 A 6 ARG HA A 6 ARG HGx 1.0 1.8 4.15 22 22 A 6 ARG HA A 6 ARG HGy 1.0 1.8 4.15 23 23 A 6 ARG H A 6 ARG HB2 1.0 1.8 3.76 24 24 A 6 ARG H A 6 ARG HB3 1.0 1.8 3.76 25 25 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.78 26 26 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.78 27 27 A 6 ARG H A 6 ARG HD2 1.0 1.8 5.50 28 28 A 6 ARG H A 6 ARG HD3 1.0 1.8 5.50 29 29 A 2 PRO HA A 6 ARG H 1.0 1.8 4.95 30 30 A 6 ARG H A 7 LYS H 1.0 1.8 4.32 31 31 A 7 LYS H A 7 LYS HG2 1.0 1.8 5.50 32 32 A 7 LYS H A 7 LYS HG3 1.0 1.8 5.50 33 33 A 7 LYS H A 8 CYS H 1.0 1.8 3.55 34 34 A 8 CYS H A 8 CYS HBx 1.0 1.8 3.71 35 35 A 8 CYS H A 8 CYS HBy 1.0 1.8 3.71 36 36 A 9 LYS H A 9 LYS HG2 1.0 1.8 5.33 37 37 A 9 LYS H A 9 LYS HG3 1.0 1.8 5.33 38 38 A 9 LYS H A 8 CYS HBx 1.0 1.8 4.22 39 39 A 9 LYS H A 8 CYS HBy 1.0 1.8 4.22 40 40 A 9 LYS H A 10 GLU H 1.0 1.8 3.76 41 41 A 10 GLU H A 9 LYS HB2 1.0 1.8 4.50 42 42 A 10 GLU H A 9 LYS HB3 1.0 1.8 4.50 43 43 A 10 GLU H A 11 LEU HBx 1.0 1.8 4.74 44 44 A 10 GLU H A 8 CYS HA 1.0 1.8 5.35 45 45 A 10 GLU H A 11 LEU H 1.0 1.8 4.46 46 46 A 11 LEU H A 11 LEU HD1% 1.0 1.8 5.11 47 47 A 11 LEU H A 11 LEU HD2% 1.0 1.8 5.11 48 48 A 11 LEU H A 11 LEU HBy 1.0 1.8 3.92 49 49 A 11 LEU HBx A 11 LEU H 1.0 1.8 3.16 50 50 A 11 LEU H A 10 GLU HB2 1.0 1.8 4.68 51 51 A 11 LEU H A 10 GLU HB3 1.0 1.8 4.68 52 52 A 8 CYS HA A 11 LEU H 1.0 1.8 4.60 53 53 A 13 THR HA A 13 THR HG2% 1.0 1.8 3.42 54 54 A 13 THR H A 13 THR HG2% 1.0 1.8 3.95 55 55 A 13 THR H A 14 ARG HBx 1.0 1.8 4.80 56 56 A 13 THR H A 14 ARG H 1.0 1.8 3.41 57 57 A 14 ARG HA A 15 DPR HG2 1.0 1.8 5.50 58 58 A 14 ARG HA A 15 DPR HDy 1.0 1.8 3.59 59 59 A 13 THR HG2% A 14 ARG H 1.0 1.8 5.22 60 60 A 14 ARG H A 14 ARG HG2 1.0 1.8 4.90 61 61 A 14 ARG H A 14 ARG HG3 1.0 1.8 4.90 62 62 A 11 LEU HBy A 14 ARG H 1.0 1.8 4.68 63 63 A 14 ARG HBx A 14 ARG H 1.0 1.8 3.19 64 64 A 8 CYS H A 9 LYS H 1.0 1.8 3.71 65 65 A 25 SER H A 25 SER HB3 1.0 1.8 3.82 66 66 A 25 SER H A 25 SER HB2 1.0 1.8 3.82 67 67 A 26 ASP H A 25 SER H 1.0 1.8 4.91 68 68 A 26 ASP H A 26 ASP HB2 1.0 1.8 4.18 69 69 A 26 ASP H A 26 ASP HB3 1.0 1.8 4.18 70 70 A 25 SER HA A 26 ASP H 1.0 1.8 3.02 71 71 A 11 LEU HBx A 8 CYS HA 1.0 1.8 4.19 72 72 A 4 LEU HA A 4 LEU HD1% 1.0 1.8 4.46 73 73 A 1 ASN HA A 1 ASN HD22 1.0 1.8 4.59 74 73 A 1 ASN HA A 1 ASN HD21 1.0 1.8 4.59 75 74 A 1 ASN HA A 2 PRO HDx 1.0 1.8 2.95 76 74 A 1 ASN HA A 2 PRO HDy 1.0 1.8 2.95 77 75 A 1 ASN HBx A 1 ASN HD22 1.0 1.8 3.23 78 75 A 1 ASN HBy A 1 ASN HD22 1.0 1.8 3.23 79 75 A 1 ASN HD21 A 1 ASN HBy 1.0 1.8 3.23 80 75 A 1 ASN HBx A 1 ASN HD21 1.0 1.8 3.23 81 76 A 3 GLU H A 1 ASN HBy 1.0 1.8 4.21 82 76 A 3 GLU H A 1 ASN HBx 1.0 1.8 4.21 83 77 A 3 GLU H A 2 PRO HGx 1.0 1.8 4.11 84 77 A 3 GLU H A 2 PRO HGy 1.0 1.8 4.11 85 78 A 3 GLU H A 2 PRO HDx 1.0 1.8 4.02 86 78 A 3 GLU H A 2 PRO HDy 1.0 1.8 4.02 87 79 A 3 GLU H A 3 GLU HG2 1.0 1.8 4.61 88 79 A 3 GLU H A 3 GLU HG3 1.0 1.8 4.61 89 80 A 3 GLU HA A 3 GLU HG2 1.0 1.8 3.63 90 80 A 3 GLU HG3 A 3 GLU HA 1.0 1.8 3.63 91 81 A 4 LEU H A 3 GLU HG2 1.0 1.8 4.73 92 81 A 4 LEU H A 3 GLU HG3 1.0 1.8 4.73 93 82 A 4 LEU H A 4 LEU HD1% 1.0 1.8 4.48 94 82 A 4 LEU H A 4 LEU HD2% 1.0 1.8 4.48 95 83 A 4 LEU HA A 4 LEU HD1% 1.0 1.8 3.32 96 83 A 4 LEU HA A 4 LEU HD2% 1.0 1.8 3.32 97 84 A 4 LEU HD2% A 25 SER HB3 1.0 1.8 4.82 98 84 A 4 LEU HD1% A 25 SER HB3 1.0 1.8 4.82 99 84 A 25 SER HB2 A 4 LEU HD1% 1.0 1.8 4.82 100 84 A 25 SER HB2 A 4 LEU HD2% 1.0 1.8 4.82 101 85 A 5 GLN H A 5 GLN HBy 1.0 1.8 3.32 102 85 A 5 GLN H A 5 GLN HBx 1.0 1.8 3.32 103 86 A 5 GLN H A 5 GLN HGy 1.0 1.8 3.60 104 86 A 5 GLN H A 5 GLN HGx 1.0 1.8 3.60 105 87 A 6 ARG H A 6 ARG HB3 1.0 1.8 3.14 106 87 A 6 ARG H A 6 ARG HB2 1.0 1.8 3.14 107 88 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.03 108 88 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.03 109 89 A 6 ARG HA A 6 ARG HGy 1.0 1.8 3.65 110 89 A 6 ARG HA A 6 ARG HGx 1.0 1.8 3.65 111 90 A 7 LYS H A 7 LYS HBx 1.0 1.8 3.02 112 90 A 7 LYS H A 7 LYS HBy 1.0 1.8 3.02 113 91 A 7 LYS H A 7 LYS HG3 1.0 1.8 4.70 114 91 A 7 LYS H A 7 LYS HG2 1.0 1.8 4.70 115 92 A 8 CYS H A 7 LYS HBx 1.0 1.8 3.40 116 92 A 8 CYS H A 7 LYS HBy 1.0 1.8 3.40 117 93 A 8 CYS H A 8 CYS HBy 1.0 1.8 3.08 118 93 A 8 CYS H A 8 CYS HBx 1.0 1.8 3.08 119 94 A 9 LYS H A 8 CYS HBy 1.0 1.8 3.48 120 94 A 9 LYS H A 8 CYS HBx 1.0 1.8 3.48 121 95 A 9 LYS H A 9 LYS HB3 1.0 1.8 3.12 122 95 A 9 LYS H A 9 LYS HB2 1.0 1.8 3.12 123 96 A 9 LYS H A 9 LYS HG3 1.0 1.8 4.55 124 96 A 9 LYS H A 9 LYS HG2 1.0 1.8 4.55 125 97 A 10 GLU H A 9 LYS HB3 1.0 1.8 3.92 126 97 A 10 GLU H A 9 LYS HB2 1.0 1.8 3.92 127 98 A 10 GLU H A 10 GLU HB3 1.0 1.8 3.32 128 98 A 10 GLU H A 10 GLU HB2 1.0 1.8 3.32 129 99 A 10 GLU H A 10 GLU HGx 1.0 1.8 3.92 130 99 A 10 GLU H A 10 GLU HGy 1.0 1.8 3.92 131 100 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.64 132 100 A 10 GLU HGy A 10 GLU HA 1.0 1.8 3.64 133 101 A 11 LEU H A 10 GLU HB3 1.0 1.8 3.93 134 101 A 11 LEU H A 10 GLU HB2 1.0 1.8 3.93 135 102 A 11 LEU H A 11 LEU HD1% 1.0 1.8 4.45 136 102 A 11 LEU H A 11 LEU HD2% 1.0 1.8 4.45 137 103 A 11 LEU HA A 11 LEU HD1% 1.0 1.8 3.54 138 103 A 11 LEU HD2% A 11 LEU HA 1.0 1.8 3.54 139 104 A 14 ARG H A 11 LEU HD1% 1.0 1.8 4.78 140 104 A 14 ARG H A 11 LEU HD2% 1.0 1.8 4.78 141 105 A 14 ARG H A 14 ARG HG3 1.0 1.8 4.29 142 105 A 14 ARG H A 14 ARG HG2 1.0 1.8 4.29 143 106 A 14 ARG HBx A 14 ARG HDx 1.0 1.8 3.67 144 106 A 14 ARG HBx A 14 ARG HDy 1.0 1.8 3.67 145 107 A 25 SER H A 25 SER HB3 1.0 1.8 3.18 146 107 A 25 SER H A 25 SER HB2 1.0 1.8 3.18 147 108 A 26 ASP H A 26 ASP HB3 1.0 1.8 3.51 148 108 A 26 ASP H A 26 ASP HB2 1.0 1.8 3.51 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 GLN H A 1 ASN O 1.0 0.0 2.0 2 2 A 1 ASN O A 5 GLN N 1.0 0.0 3.0 3 3 A 10 GLU H A 6 ARG O 1.0 0.0 2.0 4 4 A 6 ARG O A 10 GLU N 1.0 0.0 3.0 5 5 A 11 LEU H A 7 LYS O 1.0 0.0 2.0 6 6 A 7 LYS O A 11 LEU 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 2 PRO N A 2 PRO CA A 2 PRO C A 3 GLU N 1.0 -60.0 0.0 PSI 2 2 A 2 PRO C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -105.0 -45.0 PHI 3 3 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 LEU N 1.0 -60.0 20.0 PSI 4 4 A 3 GLU C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -100.0 -40.0 PHI 5 5 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 GLN N 1.0 -70.0 -10.0 PSI 6 6 A 4 LEU C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -95.0 -35.0 PHI 7 7 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 ARG N 1.0 -70.0 -10.0 PSI 8 8 A 5 GLN C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -100.0 -40.0 PHI 9 9 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 LYS N 1.0 -70.0 -10.0 PSI 10 10 A 6 ARG C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -100.0 -40.0 PHI 11 11 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 CYS N 1.0 -70.0 -10.0 PSI 12 12 A 7 LYS C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -100.0 -40.0 PHI 13 13 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 LYS N 1.0 -65.0 -5.0 PSI 14 14 A 8 CYS C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -95.0 -35.0 PHI 15 15 A 9 LYS N A 9 LYS CA A 9 LYS C A 10 GLU N 1.0 -60.0 0.0 PSI 16 16 A 9 LYS C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -100.0 -40.0 PHI 17 17 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 LEU N 1.0 -50.0 10.0 PSI 18 18 A 1 ASN N A 1 ASN CA A 1 ASN CB A 1 ASN CG 1.0 -210.0 -30.0 CHI1 19 19 A 5 GLN N A 5 GLN CA A 5 GLN CB A 5 GLN CG 1.0 -90.0 -30.0 CHI1 20 20 A 8 CYS N A 8 CYS CA A 8 CYS CB A 8 CYS SG 1.0 -90.0 -30.0 CHI1 21 21 A 11 LEU N A 11 LEU CA A 11 LEU CB A 11 LEU CG 1.0 -210.0 -30.0 CHI1 22 22 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -90.0 -30.0 CHI1 stop_ save_