data_nef_c30244_5us3 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 5US3 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 TYR C 1 3 MAA N 1 3 MAA C 1 4 CYS N 1 4 CYS SG 2 1 ZN ZN 1 7 CYS SG 2 1 ZN ZN 1 9 LYS C 1 10 MMO N 1 10 MMO C 1 11 PHE N 1 11 PHE C 1 12 NLE N 1 12 NLE C 1 13 ARG N 1 14 SER C 1 15 B3D N 1 15 B3D C 1 16 HIS N 1 18 SER C 1 19 B3K N 1 19 B3K C 1 20 HIS N 1 20 HIS NE2 2 1 ZN ZN 1 21 ILE C 1 22 B3K N 1 22 B3K C 1 23 THR N 1 24 HIS C 1 25 B3Q N 1 24 HIS NE2 2 1 ZN ZN 1 25 B3Q C 1 26 ASN N 1 28 LYS C 1 29 NH2 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 A 1 LYS start . . 2 A 2 TYR middle -OXT . 3 A 3 MAA middle -H,-OXT . 4 A 4 CYS middle -H2,-HG . 5 A 5 PRO middle . false 6 A 6 GLU middle . . 7 A 7 CYS middle -HG . 8 A 8 PRO middle . false 9 A 9 LYS middle -OXT . 10 A 10 MMO middle -H2,-OXT . 11 A 11 PHE middle -H2,-OXT . 12 A 12 NLE middle -HN2,-OXT . 13 A 13 ARG middle -H2 . 14 A 14 SER middle -OXT . 15 A 15 B3D middle -H2,-OXT . 16 A 16 HIS middle -H2 . 17 A 17 LEU middle . . 18 A 18 SER middle -OXT . 19 A 19 B3K middle -H2,-OXT . 20 A 20 HIS middle -H2,-HE2 . 21 A 21 ILE middle -OXT . 22 A 22 B3K middle -H2,-OXT . 23 A 23 THR middle -H2 . 24 A 24 HIS middle -OXT,-HE2 . 25 A 25 B3Q middle -HNA,-OXT . 26 A 26 ASN middle -H2 . 27 A 27 LYS middle . . 28 A 28 LYS middle -OXT . 29 A 29 NH2 end . . 30 B 1 ZN . . . 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 2 TYR H H 1 9.011 0.00 A 2 TYR HA H 1 5.142 0.00 A 2 TYR HBx H 1 2.600 0.00 A 2 TYR HBy H 1 3.028 0.00 A 2 TYR HDx H 1 7.019 0.00 A 2 TYR HDy H 1 7.019 0.00 A 2 TYR HEx H 1 6.879 0.00 A 2 TYR HEy H 1 6.879 0.00 A 3 MAA HA H 1 5.425 0.00 A 3 MAA HB% H 1 1.481 0.00 A 3 MAA HM% H 1 3.403 0.00 A 4 CYS H H 1 8.644 0.00 A 4 CYS HA H 1 4.863 0.00 A 4 CYS HBx H 1 2.867 0.00 A 4 CYS HBy H 1 3.734 0.00 A 5 PRO HA H 1 4.599 0.00 A 5 PRO HB2 H 1 2.394 0.00 A 5 PRO HB3 H 1 2.394 0.00 A 5 PRO HDx H 1 3.931 0.00 A 5 PRO HDy H 1 4.503 0.00 A 5 PRO HGx H 1 2.069 0.00 A 5 PRO HGy H 1 2.155 0.00 A 6 GLU H H 1 9.683 0.00 A 6 GLU HA H 1 4.454 0.00 A 6 GLU HBx H 1 0.603 0.00 A 6 GLU HBy H 1 1.645 0.00 A 6 GLU HGx H 1 1.833 0.00 A 6 GLU HGy H 1 1.875 0.00 A 7 CYS H H 1 8.193 0.00 A 7 CYS HA H 1 5.166 0.00 A 7 CYS HBx H 1 3.149 0.00 A 7 CYS HBy H 1 3.470 0.00 A 8 PRO HA H 1 4.697 0.00 A 8 PRO HBx H 1 2.022 0.00 A 8 PRO HBy H 1 2.328 0.00 A 8 PRO HDx H 1 3.644 0.00 A 8 PRO HDy H 1 3.854 0.00 A 8 PRO HG2 H 1 1.978 0.00 A 8 PRO HG3 H 1 1.978 0.00 A 9 LYS H H 1 8.332 0.00 A 9 LYS HA H 1 4.415 0.00 A 9 LYS HB2 H 1 1.431 0.00 A 9 LYS HB3 H 1 1.431 0.00 A 9 LYS HDx H 1 1.571 0.00 A 9 LYS HDy H 1 1.644 0.00 A 9 LYS HE2 H 1 3.010 0.00 A 9 LYS HE3 H 1 3.010 0.00 A 9 LYS HG2 H 1 1.282 0.00 A 9 LYS HG3 H 1 1.282 0.00 A 10 MMO HA H 1 5.656 0.00 A 10 MMO HC% H 1 2.914 0.00 A 10 MMO HCBy H 1 1.810 0.00 A 10 MMO HCBx H 1 1.568 0.00 A 10 MMO HCDx H 1 3.066 0.00 A 10 MMO HCDy H 1 3.066 0.00 A 10 MMO HCGy H 1 1.512 0.00 A 10 MMO HCGx H 1 1.332 0.00 A 11 PHE H H 1 8.717 0.00 A 11 PHE HA H 1 4.740 0.01 A 11 PHE HBx H 1 2.597 0.00 A 11 PHE HBy H 1 3.357 0.00 A 11 PHE HDx H 1 7.059 0.00 A 11 PHE HDy H 1 7.059 0.00 A 11 PHE HEx H 1 6.753 0.00 A 11 PHE HEy H 1 6.753 0.00 A 11 PHE HZ H 1 5.990 0.00 A 12 NLE HA H 1 4.341 0.00 A 12 NLE HBx H 1 1.970 0.00 A 12 NLE HBy H 1 2.019 0.00 A 12 NLE HDx H 1 1.415 0.00 A 12 NLE HDy H 1 1.415 0.00 A 12 NLE HE% H 1 0.931 0.00 A 12 NLE HGx H 1 1.522 0.00 A 12 NLE HGy H 1 1.522 0.00 A 13 ARG H H 1 7.854 0.00 A 13 ARG HA H 1 4.947 0.00 A 13 ARG HB2 H 1 1.987 0.00 A 13 ARG HB3 H 1 1.987 0.00 A 13 ARG HDx H 1 3.198 0.00 A 13 ARG HDy H 1 3.198 0.00 A 13 ARG HE H 1 7.137 0.00 A 13 ARG HGx H 1 1.541 0.00 A 13 ARG HGy H 1 1.647 0.00 A 14 SER H H 1 8.610 0.00 A 14 SER HA H 1 3.535 0.00 A 14 SER HBx H 1 3.416 0.00 A 14 SER HBy H 1 3.416 0.00 A 15 B3D H H 1 8.451 0.00 A 15 B3D HAx H 1 2.366 0.00 A 15 B3D HAy H 1 2.447 0.00 A 15 B3D HB H 1 4.650 0.00 A 15 B3D HGx H 1 2.362 0.00 A 15 B3D HGy H 1 2.362 0.00 A 16 HIS H H 1 7.138 0.00 A 16 HIS HA H 1 4.345 0.00 A 16 HIS HBx H 1 3.376 0.00 A 16 HIS HBy H 1 3.431 0.00 A 16 HIS HD1 H 1 7.090 0.00 A 16 HIS HE1 H 1 6.932 0.00 A 17 LEU H H 1 7.684 0.00 A 17 LEU HA H 1 3.181 0.00 A 17 LEU HBx H 1 2.108 0.00 A 17 LEU HBy H 1 2.108 0.00 A 17 LEU HDx% H 1 0.899 0.00 A 17 LEU HDy% H 1 1.129 0.00 A 17 LEU HG H 1 1.499 0.00 A 18 SER H H 1 7.943 0.00 A 18 SER HA H 1 3.994 0.00 A 18 SER HB2 H 1 3.932 0.00 A 18 SER HB3 H 1 3.932 0.00 A 19 B3K H H 1 7.600 0.00 A 19 B3K HAx H 1 2.365 0.00 A 19 B3K HAy H 1 2.434 0.00 A 19 B3K HB H 1 4.103 0.00 A 19 B3K HDx H 1 1.355 0.00 A 19 B3K HDy H 1 1.355 0.00 A 19 B3K HEx H 1 1.588 0.00 A 19 B3K HEy H 1 1.588 0.00 A 19 B3K HFx H 1 2.925 0.00 A 19 B3K HFy H 1 2.925 0.00 A 19 B3K HGx H 1 1.536 0.00 A 19 B3K HGy H 1 1.536 0.00 A 20 HIS H H 1 8.176 0.00 A 20 HIS HA H 1 4.212 0.00 A 20 HIS HBx H 1 2.709 0.00 A 20 HIS HBy H 1 3.293 0.00 A 20 HIS HD2 H 1 7.159 0.00 A 20 HIS HE1 H 1 7.887 0.00 A 21 ILE H H 1 8.980 0.00 A 21 ILE HA H 1 3.425 0.00 A 21 ILE HB H 1 1.939 0.00 A 21 ILE HD1% H 1 0.938 0.00 A 21 ILE HG1x H 1 1.390 0.00 A 21 ILE HG1y H 1 1.390 0.00 A 21 ILE HG2% H 1 0.974 0.00 A 22 B3K H H 1 6.900 0.00 A 22 B3K HAx H 1 2.359 0.00 A 22 B3K HAy H 1 2.526 0.00 A 22 B3K HB H 1 3.987 0.00 A 22 B3K HDx H 1 1.390 0.00 A 22 B3K HDy H 1 1.390 0.00 A 22 B3K HEx H 1 1.515 0.00 A 22 B3K HEy H 1 1.515 0.00 A 22 B3K HFx H 1 2.985 0.00 A 22 B3K HFy H 1 2.985 0.00 A 22 B3K HGx H 1 1.630 0.00 A 22 B3K HGy H 1 1.630 0.00 A 23 THR H H 1 7.570 0.00 A 23 THR HA H 1 3.908 0.00 A 23 THR HB H 1 3.794 0.00 A 23 THR HG2% H 1 1.020 0.00 A 24 HIS H H 1 7.776 0.00 A 24 HIS HA H 1 4.776 0.00 A 24 HIS HBx H 1 3.272 0.00 A 24 HIS HBy H 1 3.357 0.00 A 24 HIS HD2 H 1 6.383 0.00 A 24 HIS HE1 H 1 7.900 0.00 A 25 B3Q H1x H 1 6.907 0.00 A 25 B3Q H1y H 1 7.663 0.00 A 25 B3Q Hy H 1 2.447 0.00 A 25 B3Q Hx H 1 2.322 0.00 A 25 B3Q HA H 1 2.545 0.00 A 25 B3Q HAA H 1 2.545 0.00 A 25 B3Q HB H 1 4.242 0.00 A 25 B3Q Hy H 1 2.447 0.00 A 25 B3Q HGx H 1 1.725 0.00 A 25 B3Q HN H 1 7.496 0.00 A 26 ASN H H 1 8.519 0.00 A 26 ASN HA H 1 4.609 0.00 A 26 ASN HBx H 1 2.764 0.00 A 26 ASN HBy H 1 2.851 0.00 A 26 ASN HD2x H 1 7.015 0.00 A 26 ASN HD2y H 1 7.738 0.00 A 27 LYS H H 1 8.471 0.00 A 27 LYS HA H 1 4.319 0.00 A 27 LYS HBx H 1 1.795 0.00 A 27 LYS HBy H 1 1.898 0.00 A 27 LYS HDx H 1 1.688 0.00 A 27 LYS HDy H 1 1.688 0.00 A 27 LYS HEx H 1 3.005 0.00 A 27 LYS HEy H 1 3.005 0.00 A 27 LYS HGx H 1 1.445 0.00 A 27 LYS HGy H 1 1.445 0.00 A 28 LYS H H 1 8.434 0.00 A 28 LYS HA H 1 4.259 0.00 A 28 LYS HBx H 1 1.804 0.00 A 28 LYS HBy H 1 1.860 0.00 A 28 LYS HDx H 1 1.690 0.00 A 28 LYS HDy H 1 1.690 0.00 A 28 LYS HEx H 1 3.008 0.00 A 28 LYS HEy H 1 3.008 0.00 A 28 LYS HGx H 1 1.459 0.00 A 28 LYS HGy H 1 1.459 0.00 A 29 NH2 HNy H 1 7.699 0.00 A 29 NH2 HNx H 1 7.243 0.00 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 4 CYS HA A 5 PRO HDx 1.0 1.6 3.0 2 1 A 4 CYS HA A 5 PRO HDy 1.0 1.6 3.0 3 2 A 4 CYS HA A 17 LEU HDx% 1.0 1.6 3.0 4 2 A 4 CYS HA A 17 LEU HDy% 1.0 1.6 3.0 5 3 A 7 CYS HBy A 8 PRO HDx 1.0 1.6 3.0 6 3 A 7 CYS HBx A 8 PRO HDx 1.0 1.6 3.0 7 3 A 8 PRO HDy A 7 CYS HBx 1.0 1.6 3.0 8 3 A 7 CYS HBy A 8 PRO HDy 1.0 1.6 3.0 9 4 A 7 CYS HBy A 8 PRO HDx 1.0 1.6 3.0 10 4 A 7 CYS HBx A 8 PRO HDx 1.0 1.6 3.0 11 4 A 8 PRO HDy A 7 CYS HBx 1.0 1.6 3.0 12 4 A 7 CYS HBy A 8 PRO HDy 1.0 1.6 3.0 13 5 A 7 CYS HBy A 8 PRO HDx 1.0 1.6 3.0 14 5 A 7 CYS HBx A 8 PRO HDx 1.0 1.6 3.0 15 5 A 8 PRO HDy A 7 CYS HBx 1.0 1.6 3.0 16 5 A 7 CYS HBy A 8 PRO HDy 1.0 1.6 3.0 17 6 A 7 CYS HBy A 8 PRO HDx 1.0 1.6 3.0 18 6 A 7 CYS HBx A 8 PRO HDx 1.0 1.6 3.0 19 6 A 8 PRO HDy A 7 CYS HBx 1.0 1.6 3.0 20 6 A 7 CYS HBy A 8 PRO HDy 1.0 1.6 3.0 21 7 A 7 CYS H A 6 GLU H 1.0 1.6 3.0 22 8 A 10 MMO HA A 11 PHE H 1.0 1.6 3.0 23 9 A 20 HIS HD1 A 17 LEU HDx% 1.0 1.6 3.0 24 9 A 17 LEU HDy% A 20 HIS HD2 1.0 1.6 3.0 25 9 A 17 LEU HDy% A 20 HIS HD1 1.0 1.6 3.0 26 9 A 20 HIS HD2 A 17 LEU HDx% 1.0 1.6 3.0 27 10 A 21 ILE HG2% A 17 LEU HG 1.0 1.6 3.0 28 11 A 4 CYS HA A 5 PRO HB2 1.0 1.6 3.8 29 11 A 4 CYS HA A 5 PRO HB3 1.0 1.6 3.8 30 12 A 4 CYS HA A 5 PRO HGx 1.0 1.6 3.8 31 12 A 4 CYS HA A 5 PRO HGy 1.0 1.6 3.8 32 13 A 4 CYS HA A 5 PRO HGx 1.0 1.6 3.8 33 13 A 4 CYS HA A 5 PRO HGy 1.0 1.6 3.8 34 14 A 4 CYS HA A 6 GLU H 1.0 1.6 3.8 35 15 A 4 CYS HA A 20 HIS HD2 1.0 1.6 3.8 36 15 A 4 CYS HA A 20 HIS HD1 1.0 1.6 3.8 37 16 A 4 CYS HA A 21 ILE HG2% 1.0 1.6 3.8 38 17 A 4 CYS HBy A 5 PRO HDx 1.0 1.6 3.8 39 17 A 4 CYS HBx A 5 PRO HDx 1.0 1.6 3.8 40 17 A 5 PRO HDy A 4 CYS HBx 1.0 1.6 3.8 41 17 A 5 PRO HDy A 4 CYS HBy 1.0 1.6 3.8 42 18 A 4 CYS HBy A 5 PRO HDx 1.0 1.6 3.8 43 18 A 4 CYS HBx A 5 PRO HDx 1.0 1.6 3.8 44 18 A 5 PRO HDy A 4 CYS HBx 1.0 1.6 3.8 45 18 A 5 PRO HDy A 4 CYS HBy 1.0 1.6 3.8 46 19 A 6 GLU H A 4 CYS HBx 1.0 1.6 3.8 47 19 A 6 GLU H A 4 CYS HBy 1.0 1.6 3.8 48 20 A 7 CYS H A 4 CYS HBx 1.0 1.6 3.8 49 20 A 7 CYS H A 4 CYS HBy 1.0 1.6 3.8 50 21 A 7 CYS H A 4 CYS HBx 1.0 1.6 3.8 51 21 A 7 CYS H A 4 CYS HBy 1.0 1.6 3.8 52 22 A 9 LYS H A 4 CYS HBx 1.0 1.6 3.8 53 22 A 4 CYS HBy A 9 LYS H 1.0 1.6 3.8 54 23 A 9 LYS H A 4 CYS HBx 1.0 1.6 3.8 55 23 A 4 CYS HBy A 9 LYS H 1.0 1.6 3.8 56 24 A 11 PHE HE% A 4 CYS HBx 1.0 1.6 3.8 57 24 A 4 CYS HBy A 11 PHE HE% 1.0 1.6 3.8 58 25 A 11 PHE HZ A 4 CYS HBx 1.0 1.6 3.8 59 25 A 4 CYS HBy A 11 PHE HZ 1.0 1.6 3.8 60 26 A 4 CYS HBy A 17 LEU HDx% 1.0 1.6 3.8 61 26 A 4 CYS HBx A 17 LEU HDx% 1.0 1.6 3.8 62 26 A 17 LEU HDy% A 4 CYS HBx 1.0 1.6 3.8 63 26 A 17 LEU HDy% A 4 CYS HBy 1.0 1.6 3.8 64 27 A 20 HIS HD2 A 4 CYS HBx 1.0 1.6 3.8 65 27 A 20 HIS HD1 A 4 CYS HBx 1.0 1.6 3.8 66 27 A 4 CYS HBy A 20 HIS HD2 1.0 1.6 3.8 67 27 A 20 HIS HD1 A 4 CYS HBy 1.0 1.6 3.8 68 28 A 20 HIS HD2 A 4 CYS HBx 1.0 1.6 3.8 69 28 A 20 HIS HD1 A 4 CYS HBx 1.0 1.6 3.8 70 28 A 4 CYS HBy A 20 HIS HD2 1.0 1.6 3.8 71 28 A 20 HIS HD1 A 4 CYS HBy 1.0 1.6 3.8 72 29 A 21 ILE HG2% A 4 CYS HBx 1.0 1.6 3.8 73 29 A 21 ILE HG2% A 4 CYS HBy 1.0 1.6 3.8 74 30 A 6 GLU H A 5 PRO HDx 1.0 1.6 3.8 75 30 A 5 PRO HDy A 6 GLU H 1.0 1.6 3.8 76 31 A 6 GLU H A 5 PRO HGx 1.0 1.6 3.8 77 31 A 6 GLU H A 5 PRO HGy 1.0 1.6 3.8 78 32 A 6 GLU H A 5 PRO HGx 1.0 1.6 3.8 79 32 A 6 GLU H A 5 PRO HGy 1.0 1.6 3.8 80 33 A 7 CYS H A 5 PRO HGx 1.0 1.6 3.8 81 33 A 7 CYS H A 5 PRO HGy 1.0 1.6 3.8 82 34 A 6 GLU H A 6 GLU HA 1.0 1.6 3.8 83 35 A 7 CYS H A 6 GLU HA 1.0 1.6 3.8 84 36 A 7 CYS H A 6 GLU HBx 1.0 1.6 3.8 85 36 A 7 CYS H A 6 GLU HBy 1.0 1.6 3.8 86 37 A 24 HIS HD1 A 6 GLU HBx 1.0 1.6 3.8 87 37 A 24 HIS HD2 A 6 GLU HBx 1.0 1.6 3.8 88 37 A 6 GLU HBy A 24 HIS HD2 1.0 1.6 3.8 89 37 A 6 GLU HBy A 24 HIS HD1 1.0 1.6 3.8 90 38 A 7 CYS H A 6 GLU HGx 1.0 1.6 3.8 91 38 A 7 CYS H A 6 GLU HGy 1.0 1.6 3.8 92 39 A 9 LYS H A 7 CYS HBx 1.0 1.6 3.8 93 39 A 7 CYS HBy A 9 LYS H 1.0 1.6 3.8 94 40 A 9 LYS H A 7 CYS HBx 1.0 1.6 3.8 95 40 A 7 CYS HBy A 9 LYS H 1.0 1.6 3.8 96 41 A 9 LYS H A 8 PRO HA 1.0 1.6 3.8 97 42 A 7 CYS H A 8 PRO HDx 1.0 1.6 3.8 98 42 A 8 PRO HDy A 7 CYS H 1.0 1.6 3.8 99 43 A 7 CYS H A 8 PRO HDx 1.0 1.6 3.8 100 43 A 8 PRO HDy A 7 CYS H 1.0 1.6 3.8 101 44 A 9 LYS H A 8 PRO HDx 1.0 1.6 3.8 102 44 A 8 PRO HDy A 9 LYS H 1.0 1.6 3.8 103 45 A 9 LYS H A 8 PRO HDx 1.0 1.6 3.8 104 45 A 8 PRO HDy A 9 LYS H 1.0 1.6 3.8 105 46 A 11 PHE HE% A 9 LYS HG2 1.0 1.6 3.8 106 46 A 11 PHE HE% A 9 LYS HG3 1.0 1.6 3.8 107 47 A 11 PHE HZ A 9 LYS HG2 1.0 1.6 3.8 108 47 A 11 PHE HZ A 9 LYS HG3 1.0 1.6 3.8 109 48 A 10 MMO HA A 11 PHE HD% 1.0 1.6 3.8 110 49 A 10 MMO HA A 11 PHE HE% 1.0 1.6 3.8 111 50 A 11 PHE HE% A 4 CYS HBx 1.0 1.6 3.8 112 50 A 4 CYS HBy A 11 PHE HE% 1.0 1.6 3.8 113 51 A 9 LYS H A 11 PHE HE% 1.0 1.6 3.8 114 52 A 11 PHE HE% A 17 LEU H 1.0 1.6 3.8 115 53 A 11 PHE HE% A 20 HIS HD2 1.0 1.6 3.8 116 53 A 20 HIS HD1 A 11 PHE HE% 1.0 1.6 3.8 117 54 A 11 PHE HZ A 20 HIS HD2 1.0 1.6 3.8 118 54 A 20 HIS HD1 A 11 PHE HZ 1.0 1.6 3.8 119 55 A 17 LEU H A 14 SER HA 1.0 1.6 3.8 120 56 A 15 B3D HB A 18 SER H 1.0 1.6 3.8 121 57 A 11 PHE HE% A 17 LEU HA 1.0 1.6 3.8 122 58 A 17 LEU HA A 20 HIS HA 1.0 1.6 3.8 123 59 A 17 LEU HA A 20 HIS H 1.0 1.6 3.8 124 60 A 18 SER H A 17 LEU HBx 1.0 1.6 3.8 125 60 A 18 SER H A 17 LEU HBy 1.0 1.6 3.8 126 61 A 4 CYS HBy A 17 LEU HDx% 1.0 1.6 3.8 127 61 A 4 CYS HBx A 17 LEU HDx% 1.0 1.6 3.8 128 61 A 17 LEU HDy% A 4 CYS HBx 1.0 1.6 3.8 129 61 A 17 LEU HDy% A 4 CYS HBy 1.0 1.6 3.8 130 62 A 5 PRO HDy A 17 LEU HDx% 1.0 1.6 3.8 131 62 A 17 LEU HDy% A 5 PRO HDx 1.0 1.6 3.8 132 62 A 5 PRO HDy A 17 LEU HDy% 1.0 1.6 3.8 133 62 A 5 PRO HDx A 17 LEU HDx% 1.0 1.6 3.8 134 63 A 10 MMO HA A 17 LEU HDx% 1.0 1.6 3.8 135 63 A 10 MMO HA A 17 LEU HDy% 1.0 1.6 3.8 136 64 A 11 PHE HD% A 17 LEU HDx% 1.0 1.6 3.8 137 64 A 17 LEU HDy% A 11 PHE HD% 1.0 1.6 3.8 138 65 A 11 PHE HD% A 17 LEU HDx% 1.0 1.6 3.8 139 65 A 17 LEU HDy% A 11 PHE HD% 1.0 1.6 3.8 140 66 A 11 PHE HE% A 17 LEU HDx% 1.0 1.6 3.8 141 66 A 17 LEU HDy% A 11 PHE HE% 1.0 1.6 3.8 142 67 A 11 PHE HE% A 17 LEU HDx% 1.0 1.6 3.8 143 67 A 17 LEU HDy% A 11 PHE HE% 1.0 1.6 3.8 144 68 A 14 SER HA A 17 LEU HDx% 1.0 1.6 3.8 145 68 A 17 LEU HDy% A 14 SER HA 1.0 1.6 3.8 146 69 A 14 SER HA A 17 LEU HDx% 1.0 1.6 3.8 147 69 A 17 LEU HDy% A 14 SER HA 1.0 1.6 3.8 148 70 A 18 SER H A 17 LEU HDx% 1.0 1.6 3.8 149 70 A 17 LEU HDy% A 18 SER H 1.0 1.6 3.8 150 71 A 18 SER H A 17 LEU HDx% 1.0 1.6 3.8 151 71 A 17 LEU HDy% A 18 SER H 1.0 1.6 3.8 152 72 A 17 LEU HDx% A 20 HIS HBx 1.0 1.6 3.8 153 72 A 17 LEU HDy% A 20 HIS HBx 1.0 1.6 3.8 154 72 A 20 HIS HBy A 17 LEU HDx% 1.0 1.6 3.8 155 72 A 17 LEU HDy% A 20 HIS HBy 1.0 1.6 3.8 156 73 A 20 HIS H A 17 LEU HDx% 1.0 1.6 3.8 157 73 A 17 LEU HDy% A 20 HIS H 1.0 1.6 3.8 158 74 A 21 ILE HB A 17 LEU HDx% 1.0 1.6 3.8 159 74 A 17 LEU HDy% A 21 ILE HB 1.0 1.6 3.8 160 75 A 17 LEU H A 18 SER H 1.0 1.6 3.8 161 76 A 20 HIS H A 19 B3K HB 1.0 1.6 3.8 162 77 A 20 HIS HA A 21 ILE H 1.0 1.6 3.8 163 78 A 23 THR H A 20 HIS HA 1.0 1.6 3.8 164 79 A 11 PHE HE% A 20 HIS HBx 1.0 1.6 3.8 165 79 A 11 PHE HE% A 20 HIS HBy 1.0 1.6 3.8 166 80 A 11 PHE HZ A 20 HIS HBx 1.0 1.6 3.8 167 80 A 11 PHE HZ A 20 HIS HBy 1.0 1.6 3.8 168 81 A 17 LEU HA A 20 HIS HBx 1.0 1.6 3.8 169 81 A 17 LEU HA A 20 HIS HBy 1.0 1.6 3.8 170 82 A 17 LEU H A 20 HIS HBx 1.0 1.6 3.8 171 82 A 17 LEU H A 20 HIS HBy 1.0 1.6 3.8 172 83 A 20 HIS HD1 A 20 HIS HBx 1.0 1.6 3.8 173 83 A 20 HIS HD2 A 20 HIS HBx 1.0 1.6 3.8 174 83 A 20 HIS HBy A 20 HIS HD2 1.0 1.6 3.8 175 83 A 20 HIS HD1 A 20 HIS HBy 1.0 1.6 3.8 176 84 A 21 ILE H A 20 HIS HBx 1.0 1.6 3.8 177 84 A 20 HIS HBy A 21 ILE H 1.0 1.6 3.8 178 85 A 21 ILE H A 20 HIS HD2 1.0 1.6 3.8 179 85 A 20 HIS HD1 A 21 ILE H 1.0 1.6 3.8 180 86 A 20 HIS H A 21 ILE H 1.0 1.6 3.8 181 87 A 21 ILE HB A 20 HIS HD2 1.0 1.6 3.8 182 87 A 20 HIS HD1 A 21 ILE HB 1.0 1.6 3.8 183 88 A 21 ILE HG2% A 5 PRO HDx 1.0 1.6 3.8 184 88 A 5 PRO HDy A 21 ILE HG2% 1.0 1.6 3.8 185 89 A 21 ILE HG2% A 5 PRO HGx 1.0 1.6 3.8 186 89 A 21 ILE HG2% A 5 PRO HGy 1.0 1.6 3.8 187 90 A 21 ILE HG2% A 5 PRO HGx 1.0 1.6 3.8 188 90 A 21 ILE HG2% A 5 PRO HGy 1.0 1.6 3.8 189 91 A 21 ILE HG2% A 20 HIS HD2 1.0 1.6 3.8 190 91 A 20 HIS HD1 A 21 ILE HG2% 1.0 1.6 3.8 191 92 A 21 ILE HG2% A 24 HIS HBx 1.0 1.6 3.8 192 92 A 21 ILE HG2% A 24 HIS HBy 1.0 1.6 3.8 193 93 A 24 HIS H A 23 THR HA 1.0 1.6 3.8 194 94 A 24 HIS H A 23 THR HB 1.0 1.6 3.8 195 95 A 20 HIS HA A 23 THR HG2% 1.0 1.6 3.8 196 96 A 24 HIS H A 23 THR HG2% 1.0 1.6 3.8 197 97 A 23 THR H A 24 HIS H 1.0 1.6 3.8 198 98 A 23 THR H A 24 HIS HBx 1.0 1.6 3.8 199 98 A 23 THR H A 24 HIS HBy 1.0 1.6 3.8 200 99 A 20 HIS HD1 A 24 HIS HD2 1.0 1.6 3.8 201 99 A 20 HIS HD2 A 24 HIS HD2 1.0 1.6 3.8 202 99 A 24 HIS HD1 A 20 HIS HD2 1.0 1.6 3.8 203 99 A 20 HIS HD1 A 24 HIS HD1 1.0 1.6 3.8 204 100 A 21 ILE HB A 24 HIS HD2 1.0 1.6 3.8 205 100 A 24 HIS HD1 A 21 ILE HB 1.0 1.6 3.8 206 101 A 21 ILE HG2% A 24 HIS HD2 1.0 1.6 3.8 207 101 A 21 ILE HG2% A 24 HIS HD1 1.0 1.6 3.8 208 102 A 21 ILE H A 24 HIS HD2 1.0 1.6 3.8 209 102 A 24 HIS HD1 A 21 ILE H 1.0 1.6 3.8 210 103 A 27 LYS HA A 28 LYS H 1.0 1.6 3.8 211 104 A 9 LYS HA A 11 PHE HZ 1.0 1.6 4.8 212 105 A 4 CYS HA A 7 CYS H 1.0 1.6 4.8 213 106 A 4 CYS HA A 24 HIS HD2 1.0 1.6 4.8 214 106 A 4 CYS HA A 24 HIS HD1 1.0 1.6 4.8 215 107 A 6 GLU H A 4 CYS HBx 1.0 1.6 4.8 216 107 A 6 GLU H A 4 CYS HBy 1.0 1.6 4.8 217 108 A 9 LYS HA A 4 CYS HBx 1.0 1.6 4.8 218 108 A 9 LYS HA A 4 CYS HBy 1.0 1.6 4.8 219 109 A 11 PHE HD% A 4 CYS HBx 1.0 1.6 4.8 220 109 A 4 CYS HBy A 11 PHE HD% 1.0 1.6 4.8 221 110 A 7 CYS H A 5 PRO HA 1.0 1.6 4.8 222 111 A 6 GLU H A 5 PRO HB2 1.0 1.6 4.8 223 111 A 6 GLU H A 5 PRO HB3 1.0 1.6 4.8 224 112 A 7 CYS H A 5 PRO HDx 1.0 1.6 4.8 225 112 A 5 PRO HDy A 7 CYS H 1.0 1.6 4.8 226 113 A 20 HIS HD1 A 5 PRO HDx 1.0 1.6 4.8 227 113 A 20 HIS HD2 A 5 PRO HDx 1.0 1.6 4.8 228 113 A 5 PRO HDy A 20 HIS HD2 1.0 1.6 4.8 229 113 A 5 PRO HDy A 20 HIS HD1 1.0 1.6 4.8 230 114 A 24 HIS HD1 A 5 PRO HDx 1.0 1.6 4.8 231 114 A 24 HIS HD2 A 5 PRO HDx 1.0 1.6 4.8 232 114 A 5 PRO HDy A 24 HIS HD2 1.0 1.6 4.8 233 114 A 5 PRO HDy A 24 HIS HD1 1.0 1.6 4.8 234 115 A 6 GLU HA A 24 HIS HD2 1.0 1.6 4.8 235 115 A 6 GLU HA A 24 HIS HD1 1.0 1.6 4.8 236 116 A 7 CYS H A 6 GLU HGx 1.0 1.6 4.8 237 116 A 7 CYS H A 6 GLU HGy 1.0 1.6 4.8 238 117 A 7 CYS HA A 8 PRO HBx 1.0 1.6 4.8 239 117 A 7 CYS HA A 8 PRO HBy 1.0 1.6 4.8 240 118 A 4 CYS HBx A 7 CYS HBx 1.0 1.6 4.8 241 118 A 4 CYS HBy A 7 CYS HBx 1.0 1.6 4.8 242 118 A 7 CYS HBy A 4 CYS HBx 1.0 1.6 4.8 243 118 A 7 CYS HBy A 4 CYS HBy 1.0 1.6 4.8 244 119 A 6 GLU H A 7 CYS HBx 1.0 1.6 4.8 245 119 A 7 CYS HBy A 6 GLU H 1.0 1.6 4.8 246 120 A 10 MMO HA A 9 LYS HA 1.0 1.6 4.8 247 121 A 9 LYS HA A 11 PHE HE% 1.0 1.6 4.8 248 122 A 20 HIS HD1 A 9 LYS HG2 1.0 1.6 4.8 249 122 A 20 HIS HD2 A 9 LYS HG2 1.0 1.6 4.8 250 122 A 9 LYS HG3 A 20 HIS HD2 1.0 1.6 4.8 251 122 A 20 HIS HD1 A 9 LYS HG3 1.0 1.6 4.8 252 123 A 10 MMO HA A 9 LYS H 1.0 1.6 4.8 253 124 A 10 MMO HA A 11 PHE HA 1.0 1.6 4.8 254 125 A 11 PHE HE% A 13 ARG H 1.0 1.6 4.8 255 126 A 11 PHE HE% A 20 HIS HBx 1.0 1.6 4.8 256 126 A 11 PHE HE% A 20 HIS HBy 1.0 1.6 4.8 257 127 A 9 LYS H A 11 PHE HZ 1.0 1.6 4.8 258 128 A 13 ARG HA A 2 TYR HE% 1.0 1.6 4.8 259 129 A 14 SER H A 13 ARG HDx 1.0 1.6 4.8 260 129 A 13 ARG HDy A 14 SER H 1.0 1.6 4.8 261 130 A 11 PHE HD% A 14 SER HA 1.0 1.6 4.8 262 131 A 14 SER HA A 18 SER H 1.0 1.6 4.8 263 132 A 17 LEU H A 15 B3D HB 1.0 1.6 4.8 264 133 A 11 PHE HZ A 17 LEU HA 1.0 1.6 4.8 265 134 A 18 SER H A 17 LEU HA 1.0 1.6 4.8 266 135 A 11 PHE HD% A 17 LEU HBx 1.0 1.6 4.8 267 135 A 11 PHE HD% A 17 LEU HBy 1.0 1.6 4.8 268 136 A 11 PHE H A 17 LEU HDx% 1.0 1.6 4.8 269 136 A 17 LEU HDy% A 11 PHE H 1.0 1.6 4.8 270 137 A 11 PHE HZ A 17 LEU HDx% 1.0 1.6 4.8 271 137 A 17 LEU HDy% A 11 PHE HZ 1.0 1.6 4.8 272 138 A 18 SER HA A 17 LEU HDx% 1.0 1.6 4.8 273 138 A 17 LEU HDy% A 18 SER HA 1.0 1.6 4.8 274 139 A 20 HIS HD1 A 17 LEU HDx% 1.0 1.6 4.8 275 139 A 17 LEU HDy% A 20 HIS HD2 1.0 1.6 4.8 276 139 A 17 LEU HDy% A 20 HIS HD1 1.0 1.6 4.8 277 139 A 20 HIS HD2 A 17 LEU HDx% 1.0 1.6 4.8 278 140 A 20 HIS H A 17 LEU HDx% 1.0 1.6 4.8 279 140 A 17 LEU HDy% A 20 HIS H 1.0 1.6 4.8 280 141 A 17 LEU HG A 18 SER H 1.0 1.6 4.8 281 142 A 17 LEU H A 20 HIS H 1.0 1.6 4.8 282 143 A 19 B3K HB A 21 ILE H 1.0 1.6 4.8 283 144 A 11 PHE HE% A 20 HIS HA 1.0 1.6 4.8 284 145 A 11 PHE HZ A 20 HIS HA 1.0 1.6 4.8 285 146 A 17 LEU H A 20 HIS HBx 1.0 1.6 4.8 286 146 A 17 LEU H A 20 HIS HBy 1.0 1.6 4.8 287 147 A 23 THR H A 21 ILE HB 1.0 1.6 4.8 288 148 A 6 GLU H A 21 ILE HG2% 1.0 1.6 4.8 289 149 A 21 ILE HG2% A 11 PHE HE% 1.0 1.6 4.8 290 150 A 21 ILE HG2% A 17 LEU HA 1.0 1.6 4.8 291 151 A 21 ILE HG2% A 18 SER H 1.0 1.6 4.8 292 152 A 21 ILE HG2% A 20 HIS HBx 1.0 1.6 4.8 293 152 A 21 ILE HG2% A 20 HIS HBy 1.0 1.6 4.8 294 153 A 21 ILE HG2% A 20 HIS H 1.0 1.6 4.8 295 154 A 21 ILE HG2% A 24 HIS H 1.0 1.6 4.8 296 155 A 23 THR H A 21 ILE H 1.0 1.6 4.8 297 156 A 20 HIS HA A 23 THR HB 1.0 1.6 4.8 298 157 A 23 THR H A 21 ILE H 1.0 1.6 4.8 299 158 A 21 ILE HG2% A 24 HIS HA 1.0 1.6 4.8 300 159 A 23 THR HG2% A 24 HIS HA 1.0 1.6 4.8 301 160 A 23 THR H A 24 HIS HA 1.0 1.6 4.8 302 161 A 24 HIS HD2 A 6 GLU HGx 1.0 1.6 4.8 303 161 A 24 HIS HD1 A 6 GLU HGx 1.0 1.6 4.8 304 161 A 6 GLU HGy A 24 HIS HD2 1.0 1.6 4.8 305 161 A 24 HIS HD1 A 6 GLU HGy 1.0 1.6 4.8 306 162 A 24 HIS HD2 A 6 GLU HGx 1.0 1.6 4.8 307 162 A 24 HIS HD1 A 6 GLU HGx 1.0 1.6 4.8 308 162 A 6 GLU HGy A 24 HIS HD2 1.0 1.6 4.8 309 162 A 24 HIS HD1 A 6 GLU HGy 1.0 1.6 4.8 310 163 A 6 GLU H A 24 HIS HD2 1.0 1.6 4.8 311 163 A 6 GLU H A 24 HIS HD1 1.0 1.6 4.8 312 164 A 24 HIS HD1 A 17 LEU HDx% 1.0 1.6 4.8 313 164 A 24 HIS HD2 A 17 LEU HDx% 1.0 1.6 4.8 314 164 A 17 LEU HDy% A 24 HIS HD2 1.0 1.6 4.8 315 164 A 17 LEU HDy% A 24 HIS HD1 1.0 1.6 4.8 316 165 A 23 THR HG2% A 24 HIS HD2 1.0 1.6 4.8 317 165 A 24 HIS HD1 A 23 THR HG2% 1.0 1.6 4.8 318 166 A 23 THR H A 24 HIS HD2 1.0 1.6 4.8 319 166 A 23 THR H A 24 HIS HD1 1.0 1.6 4.8 320 167 A 11 PHE HZ A 4 CYS HBx 1.0 1.6 5.8 321 167 A 4 CYS HBy A 11 PHE HZ 1.0 1.6 5.8 322 168 A 4 CYS HBx A 7 CYS HBx 1.0 1.6 5.8 323 168 A 4 CYS HBy A 7 CYS HBx 1.0 1.6 5.8 324 168 A 7 CYS HBy A 4 CYS HBx 1.0 1.6 5.8 325 168 A 7 CYS HBy A 4 CYS HBy 1.0 1.6 5.8 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 18 SER H A 14 SER O 1.0 1.8 2.0 2 2 A 14 SER O A 18 SER N 1.0 2.7 3.1 3 3 A 15 B3D O A 19 B3K N 1.0 2.7 3.1 4 4 A 20 HIS H A 16 HIS O 1.0 1.8 2.0 5 5 A 16 HIS O A 20 HIS N 1.0 2.7 3.1 6 6 A 21 ILE H A 17 LEU O 1.0 1.8 2.0 7 7 A 17 LEU O A 21 ILE N 1.0 2.7 3.1 8 8 A 18 SER O A 22 B3K N 1.0 2.7 3.1 9 9 A 23 THR H A 19 B3K O 1.0 1.8 2.0 10 10 A 19 B3K O A 23 THR N 1.0 2.7 3.1 11 11 A 24 HIS H A 20 HIS O 1.0 1.8 2.0 12 12 A 20 HIS O A 24 HIS N 1.0 2.7 3.1 13 13 A 26 ASN H A 22 B3K O 1.0 1.8 2.0 14 14 A 22 B3K O A 26 ASN N 1.0 2.7 3.1 stop_ save_