data_nef_c16797_2kvh 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 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 6 CYS SG 1 9 CYS SG 1 22 HIS NE2 2 1 ZN ZN 1 26 HIS NE2 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 6 CYS SG 2 1 ZN ZN 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 29 GLU start . . 2 A 30 LYS middle . . 3 A 31 PRO middle . false 4 A 32 PHE middle . . 5 A 33 SER middle . . 6 A 34 CYS middle -HG . 7 A 35 SER middle . . 8 A 36 LEU middle . . 9 A 37 CYS middle -HG . 10 A 38 PRO middle . false 11 A 39 GLN middle . . 12 A 40 ARG middle . . 13 A 41 SER middle . . 14 A 42 ARG middle . . 15 A 43 ASP middle . . 16 A 44 PHE middle . . 17 A 45 SER middle . . 18 A 46 ALA middle . . 19 A 47 MET middle . . 20 A 48 THR middle . . 21 A 49 LYS middle . . 22 A 50 HIS middle -HE2 . 23 A 51 LEU middle . . 24 A 52 ARG middle . . 25 A 53 THR middle . . 26 A 54 HIS middle -HE2 . 27 A 55 GLY end . false 28 B 1 ZN . . . stop_ save_ save_assignments_zf2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assignments_zf2 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 29 GLU H1 H 1 7.975 . A 29 GLU HA H 1 4.175 . A 29 GLU HBx H 1 1.967 . A 29 GLU HBy H 1 1.967 . A 29 GLU HGx H 1 2.210 . A 29 GLU HGy H 1 2.269 . A 29 GLU C C 13 176.410 . A 29 GLU CA C 13 56.777 . A 29 GLU CB C 13 30.278 . A 29 GLU CG C 13 36.215 . A 29 GLU N N 15 120.041 . A 30 LYS H H 1 8.285 . A 30 LYS HA H 1 4.567 . A 30 LYS HBx H 1 1.555 . A 30 LYS HBy H 1 1.613 . A 30 LYS HDx H 1 1.408 . A 30 LYS HDy H 1 1.408 . A 30 LYS HEx H 1 2.957 . A 30 LYS HEy H 1 3.021 . A 30 LYS HGx H 1 1.222 . A 30 LYS HGy H 1 1.222 . A 30 LYS C C 13 174.080 . A 30 LYS CA C 13 53.833 . A 30 LYS CB C 13 32.909 . A 30 LYS CD C 13 26.971 . A 30 LYS CE C 13 42.141 . A 30 LYS CG C 13 24.643 . A 30 LYS N N 15 121.515 . A 31 PRO HA H 1 4.275 . A 31 PRO HBx H 1 1.433 . A 31 PRO HBy H 1 2.001 . A 31 PRO HDx H 1 3.638 . A 31 PRO HDy H 1 3.764 . A 31 PRO HGx H 1 2.012 . A 31 PRO HGy H 1 2.176 . A 31 PRO CA C 13 63.277 . A 31 PRO CB C 13 32.161 . A 31 PRO CD C 13 50.382 . A 31 PRO CG C 13 26.841 . A 32 PHE H H 1 8.100 . A 32 PHE HA H 1 4.662 . A 32 PHE HBx H 1 2.876 . A 32 PHE HBy H 1 3.065 . A 32 PHE HDx H 1 7.234 . A 32 PHE HEx H 1 7.340 . A 32 PHE C C 13 175.330 . A 32 PHE CA C 13 57.529 . A 32 PHE CB C 13 39.205 . A 32 PHE N N 15 118.118 . A 33 SER H H 1 8.657 . A 33 SER HA H 1 4.822 . A 33 SER HBx H 1 3.807 . A 33 SER HBy H 1 3.807 . A 33 SER C C 13 172.660 . A 33 SER CA C 13 57.341 . A 33 SER CB C 13 64.671 . A 33 SER N N 15 117.842 . A 34 CYS H H 1 8.573 . A 34 CYS HA H 1 4.436 . A 34 CYS HBx H 1 2.764 . A 34 CYS HBy H 1 3.553 . A 34 CYS C C 13 175.470 . A 34 CYS CA C 13 60.066 . A 34 CYS CB C 13 29.527 . A 34 CYS N N 15 127.493 . A 35 SER H H 1 8.073 . A 35 SER HA H 1 4.483 . A 35 SER HBx H 1 3.929 . A 35 SER HBy H 1 3.985 . A 35 SER CA C 13 59.597 . A 35 SER CB C 13 63.355 . A 35 SER N N 15 121.066 . A 36 LEU H H 1 9.723 . A 36 LEU HA H 1 4.419 . A 36 LEU HBx H 1 1.371 . A 36 LEU HBy H 1 1.371 . A 36 LEU HDx% H 1 0.687 . A 36 LEU HDy% H 1 0.687 . A 36 LEU HG H 1 0.915 . A 36 LEU C C 13 175.510 . A 36 LEU CA C 13 55.280 . A 36 LEU CB C 13 43.357 . A 36 LEU CD1 C 13 26.451 . A 36 LEU CD2 C 13 22.594 . A 36 LEU CG C 13 25.066 . A 36 LEU N N 15 125.683 . A 37 CYS H H 1 8.178 . A 37 CYS HA H 1 5.035 . A 37 CYS HBx H 1 3.010 . A 37 CYS HBy H 1 3.411 . A 37 CYS CA C 13 58.140 . A 37 CYS CB C 13 29.460 . A 37 CYS N N 15 123.538 . A 38 PRO HA H 1 4.606 . A 38 PRO HBx H 1 1.956 . A 38 PRO HBy H 1 2.332 . A 38 PRO HDx H 1 3.571 . A 38 PRO HDy H 1 3.803 . A 38 PRO HGy H 1 2.009 . A 38 PRO HGx H 1 2.006 . A 38 PRO C C 13 176.850 . A 38 PRO CA C 13 63.825 . A 38 PRO CB C 13 31.782 . A 38 PRO CD C 13 50.592 . A 38 PRO CG C 13 27.100 . A 39 GLN H H 1 8.572 . A 39 GLN HA H 1 3.872 . A 39 GLN HBx H 1 1.630 . A 39 GLN HBy H 1 1.637 . A 39 GLN HE2x H 1 6.766 . A 39 GLN HE2y H 1 7.332 . A 39 GLN HGx H 1 1.851 . A 39 GLN HGy H 1 1.851 . A 39 GLN C C 13 175.170 . A 39 GLN CA C 13 57.999 . A 39 GLN CB C 13 28.963 . A 39 GLN CG C 13 32.550 . A 39 GLN N N 15 123.033 . A 39 GLN NE2 N 15 112.086 . A 40 ARG H H 1 8.300 . A 40 ARG HA H 1 5.075 . A 40 ARG HBx H 1 1.589 . A 40 ARG HBy H 1 1.843 . A 40 ARG HDx H 1 3.082 . A 40 ARG HDy H 1 3.131 . A 40 ARG HGx H 1 1.379 . A 40 ARG HGy H 1 1.476 . A 40 ARG C C 13 176.110 . A 40 ARG CA C 13 54.428 . A 40 ARG CB C 13 33.567 . A 40 ARG CD C 13 43.357 . A 40 ARG CG C 13 27.382 . A 40 ARG N N 15 124.318 . A 41 SER H H 1 8.621 . A 41 SER HA H 1 4.795 . A 41 SER HBx H 1 3.748 . A 41 SER HBy H 1 3.748 . A 41 SER C C 13 173.720 . A 41 SER CA C 13 58.282 . A 41 SER CB C 13 66.120 . A 41 SER N N 15 115.060 . A 42 ARG H H 1 9.007 . A 42 ARG HA H 1 4.380 . A 42 ARG HBx H 1 1.852 . A 42 ARG HBy H 1 1.890 . A 42 ARG HDx H 1 2.964 . A 42 ARG HDy H 1 3.192 . A 42 ARG HGx H 1 1.679 . A 42 ARG HGy H 1 1.713 . A 42 ARG C C 13 174.870 . A 42 ARG CA C 13 57.717 . A 42 ARG CB C 13 30.936 . A 42 ARG CD C 13 43.169 . A 42 ARG CG C 13 27.476 . A 42 ARG N N 15 121.352 . A 43 ASP H H 1 7.580 . A 43 ASP HA H 1 4.681 . A 43 ASP HBx H 1 2.805 . A 43 ASP HBy H 1 2.805 . A 43 ASP C C 13 175.110 . A 43 ASP CA C 13 52.173 . A 43 ASP CB C 13 42.776 . A 43 ASP N N 15 114.167 . A 44 PHE H H 1 8.781 . A 44 PHE HA H 1 4.653 . A 44 PHE HBx H 1 2.827 . A 44 PHE HBy H 1 3.381 . A 44 PHE HDx H 1 7.242 . A 44 PHE HEx H 1 7.336 . A 44 PHE C C 13 177.730 . A 44 PHE CA C 13 61.194 . A 44 PHE CB C 13 39.017 . A 44 PHE N N 15 123.542 . A 45 SER H H 1 8.489 . A 45 SER HA H 1 4.060 . A 45 SER HBx H 1 3.884 . A 45 SER HBy H 1 3.929 . A 45 SER C C 13 177.060 . A 45 SER CA C 13 58.375 . A 45 SER CB C 13 62.134 . A 45 SER N N 15 116.789 . A 46 ALA H H 1 8.334 . A 46 ALA HA H 1 4.117 . A 46 ALA HB% H 1 1.542 . A 46 ALA C C 13 180.890 . A 46 ALA CA C 13 54.616 . A 46 ALA CB C 13 18.438 . A 46 ALA N N 15 124.818 . A 47 MET H H 1 7.998 . A 47 MET HA H 1 4.402 . A 47 MET HBx H 1 1.892 . A 47 MET HBy H 1 2.031 . A 47 MET HE% H 1 1.705 . A 47 MET HGx H 1 2.962 . A 47 MET HGy H 1 3.189 . A 47 MET C C 13 177.770 . A 47 MET CA C 13 57.341 . A 47 MET CB C 13 30.466 . A 47 MET CE C 13 27.286 . A 47 MET CG C 13 43.060 . A 47 MET N N 15 120.704 . A 48 THR H H 1 8.252 . A 48 THR HA H 1 4.079 . A 48 THR HB H 1 3.647 . A 48 THR HG2% H 1 0.989 . A 48 THR C C 13 176.640 . A 48 THR CA C 13 66.738 . A 48 THR CB C 13 68.366 . A 48 THR CG2 C 13 21.274 . A 48 THR N N 15 116.925 . A 49 LYS H H 1 7.600 . A 49 LYS HA H 1 3.883 . A 49 LYS HBx H 1 1.821 . A 49 LYS HBy H 1 1.821 . A 49 LYS HDx H 1 1.621 . A 49 LYS HDy H 1 1.621 . A 49 LYS HEx H 1 2.901 . A 49 LYS HEy H 1 2.901 . A 49 LYS HGx H 1 1.346 . A 49 LYS HGy H 1 1.508 . A 49 LYS C C 13 179.110 . A 49 LYS CA C 13 59.597 . A 49 LYS CB C 13 32.346 . A 49 LYS CD C 13 29.261 . A 49 LYS CE C 13 41.853 . A 49 LYS CG C 13 25.033 . A 49 LYS N N 15 121.037 . A 50 HIS H H 1 8.152 . A 50 HIS HA H 1 4.239 . A 50 HIS HBx H 1 3.140 . A 50 HIS HBy H 1 3.506 . A 50 HIS HD2 H 1 7.179 . A 50 HIS HE1 H 1 7.682 . A 50 HIS C C 13 178.490 . A 50 HIS CA C 13 59.409 . A 50 HIS CB C 13 27.365 . A 50 HIS N N 15 118.899 . A 51 LEU H H 1 8.890 . A 51 LEU HA H 1 3.869 . A 51 LEU HBx H 1 1.626 . A 51 LEU HBy H 1 1.881 . A 51 LEU HDx% H 1 1.164 . A 51 LEU HDy% H 1 0.959 . A 51 LEU HG H 1 1.649 . A 51 LEU C C 13 179.620 . A 51 LEU CA C 13 58.438 . A 51 LEU CB C 13 41.240 . A 51 LEU CD1 C 13 24.728 . A 51 LEU CD2 C 13 24.728 . A 51 LEU CG C 13 27.060 . A 51 LEU N N 15 122.346 . A 52 ARG H H 1 7.289 . A 52 ARG HA H 1 4.117 . A 52 ARG HBx H 1 1.881 . A 52 ARG HBy H 1 1.918 . A 52 ARG HDx H 1 3.187 . A 52 ARG HDy H 1 3.187 . A 52 ARG HGx H 1 1.685 . A 52 ARG HGy H 1 1.685 . A 52 ARG C C 13 178.720 . A 52 ARG CA C 13 58.281 . A 52 ARG CB C 13 29.809 . A 52 ARG CD C 13 43.154 . A 52 ARG CG C 13 27.046 . A 52 ARG N N 15 116.585 . A 53 THR H H 1 7.731 . A 53 THR HA H 1 4.098 . A 53 THR HB H 1 4.023 . A 53 THR HG2% H 1 1.211 . A 53 THR C C 13 175.600 . A 53 THR CA C 13 63.919 . A 53 THR CB C 13 68.993 . A 53 THR CG2 C 13 20.898 . A 53 THR N N 15 110.656 . A 54 HIS H H 1 7.139 . A 54 HIS HA H 1 4.606 . A 54 HIS HBx H 1 3.036 . A 54 HIS HBy H 1 3.149 . A 54 HIS HD2 H 1 6.514 . A 54 HIS HE1 H 1 7.888 . A 54 HIS C C 13 175.400 . A 54 HIS CA C 13 55.932 . A 54 HIS CB C 13 29.057 . A 54 HIS CD2 C 13 67.112 . A 54 HIS N N 15 118.393 . A 55 GLY H H 1 7.767 . A 55 GLY HAx H 1 3.910 . A 55 GLY HAy H 1 3.985 . A 55 GLY C C 13 173.320 . A 55 GLY CA C 13 44.937 . A 55 GLY N N 15 107.746 . 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 30 LYS H A 29 GLU HA 1.0 1.8 3.5 2 2 A 30 LYS H A 29 GLU HGx 1.0 1.8 6.0 3 2 A 30 LYS H A 29 GLU HGy 1.0 1.8 6.0 4 3 A 30 LYS H A 29 GLU HBx 1.0 1.8 5.0 5 3 A 30 LYS H A 29 GLU HBy 1.0 1.8 5.0 6 4 A 30 LYS HA A 31 PRO HDx 1.0 1.8 3.0 7 4 A 30 LYS HA A 31 PRO HDy 1.0 1.8 3.0 8 5 A 32 PHE H A 41 SER H 1.0 1.8 5.0 9 6 A 32 PHE H A 31 PRO HDx 1.0 1.8 6.0 10 6 A 31 PRO HDy A 32 PHE H 1.0 1.8 6.0 11 7 A 32 PHE H A 31 PRO HBx 1.0 1.8 6.0 12 7 A 32 PHE H A 31 PRO HBy 1.0 1.8 6.0 13 8 A 33 SER H A 32 PHE HA 1.0 1.8 3.0 14 9 A 33 SER H A 32 PHE HBx 1.0 1.8 6.0 15 9 A 33 SER H A 32 PHE HBy 1.0 1.8 6.0 16 10 A 33 SER HA A 40 ARG HA 1.0 1.8 3.0 17 11 A 41 SER H A 33 SER HA 1.0 1.8 3.5 18 12 A 33 SER HA A 39 GLN HGx 1.0 1.8 5.0 19 12 A 33 SER HA A 39 GLN HGy 1.0 1.8 5.0 20 13 A 33 SER HBy A 39 GLN HGx 1.0 1.8 6.0 21 13 A 39 GLN HGy A 33 SER HBx 1.0 1.8 6.0 22 13 A 39 GLN HGy A 33 SER HBy 1.0 1.8 6.0 23 13 A 33 SER HBx A 39 GLN HGx 1.0 1.8 6.0 24 14 A 34 CYS H A 39 GLN H 1.0 1.8 3.5 25 15 A 40 ARG HA A 34 CYS H 1.0 1.8 4.0 26 16 A 33 SER HA A 34 CYS H 1.0 1.8 3.0 27 17 A 34 CYS H A 33 SER HBx 1.0 1.8 4.0 28 17 A 33 SER HBy A 34 CYS H 1.0 1.8 4.0 29 18 A 34 CYS H A 40 ARG HDx 1.0 1.8 7.0 30 18 A 34 CYS H A 40 ARG HDy 1.0 1.8 7.0 31 19 A 34 CYS H A 40 ARG HBx 1.0 1.8 6.0 32 19 A 34 CYS H A 40 ARG HBy 1.0 1.8 6.0 33 20 A 34 CYS HA A 35 SER H 1.0 1.8 6.0 34 21 A 34 CYS HBx A 39 GLN HGx 1.0 1.8 7.0 35 21 A 34 CYS HBy A 39 GLN HGx 1.0 1.8 7.0 36 21 A 39 GLN HGy A 34 CYS HBx 1.0 1.8 7.0 37 21 A 39 GLN HGy A 34 CYS HBy 1.0 1.8 7.0 38 22 A 35 SER H A 36 LEU H 1.0 1.8 4.0 39 23 A 36 LEU H A 37 CYS H 1.0 1.8 4.0 40 24 A 37 CYS H A 36 LEU HA 1.0 1.8 5.0 41 25 A 37 CYS H A 38 PRO HDx 1.0 1.8 5.0 42 25 A 37 CYS H A 38 PRO HDy 1.0 1.8 5.0 43 26 A 37 CYS H A 36 LEU HG 1.0 1.8 5.0 44 27 A 37 CYS H A 36 LEU HDx% 1.0 1.8 5.0 45 27 A 37 CYS H A 36 LEU HDy% 1.0 1.8 5.0 46 28 A 37 CYS HA A 38 PRO HDx 1.0 1.8 3.0 47 28 A 38 PRO HDy A 37 CYS HA 1.0 1.8 3.0 48 29 A 39 GLN H A 37 CYS HA 1.0 1.8 5.0 49 30 A 39 GLN H A 38 PRO HA 1.0 1.8 5.0 50 31 A 39 GLN H A 34 CYS HBx 1.0 1.8 6.0 51 31 A 39 GLN H A 34 CYS HBy 1.0 1.8 6.0 52 32 A 39 GLN H A 37 CYS HBx 1.0 1.8 7.0 53 32 A 39 GLN H A 37 CYS HBy 1.0 1.8 7.0 54 33 A 39 GLN H A 38 PRO HBx 1.0 1.8 6.0 55 33 A 39 GLN H A 38 PRO HBy 1.0 1.8 6.0 56 34 A 40 ARG HA A 39 GLN HA 1.0 1.8 6.0 57 35 A 39 GLN HA A 40 ARG H 1.0 1.8 3.0 58 36 A 41 SER H A 40 ARG HA 1.0 1.8 3.0 59 37 A 41 SER H A 32 PHE HBx 1.0 1.8 7.0 60 37 A 41 SER H A 32 PHE HBy 1.0 1.8 7.0 61 38 A 41 SER H A 40 ARG HBx 1.0 1.8 6.0 62 38 A 41 SER H A 40 ARG HBy 1.0 1.8 6.0 63 39 A 41 SER HBy A 47 MET HGx 1.0 1.8 6.0 64 39 A 41 SER HBx A 47 MET HGx 1.0 1.8 6.0 65 39 A 47 MET HGy A 41 SER HBx 1.0 1.8 6.0 66 39 A 41 SER HBy A 47 MET HGy 1.0 1.8 6.0 67 40 A 41 SER HBy A 47 MET HBx 1.0 1.8 4.0 68 40 A 41 SER HBx A 47 MET HBx 1.0 1.8 4.0 69 40 A 47 MET HBy A 41 SER HBx 1.0 1.8 4.0 70 40 A 41 SER HBy A 47 MET HBy 1.0 1.8 4.0 71 41 A 46 ALA HB% A 41 SER HBx 1.0 1.8 4.0 72 41 A 41 SER HBy A 46 ALA HB% 1.0 1.8 4.0 73 42 A 43 ASP H A 42 ARG HA 1.0 1.8 5.0 74 43 A 43 ASP H A 41 SER HBx 1.0 1.8 5.0 75 43 A 41 SER HBy A 43 ASP H 1.0 1.8 5.0 76 44 A 43 ASP H A 42 ARG HBx 1.0 1.8 5.0 77 44 A 43 ASP H A 42 ARG HBy 1.0 1.8 5.0 78 45 A 46 ALA HB% A 43 ASP H 1.0 1.8 4.0 79 46 A 46 ALA HB% A 43 ASP HBx 1.0 1.8 5.0 80 46 A 46 ALA HB% A 43 ASP HBy 1.0 1.8 5.0 81 47 A 44 PHE H A 45 SER H 1.0 1.8 6.0 82 48 A 44 PHE HD% A 51 LEU HDx% 1.0 1.8 7.0 83 48 A 44 PHE HD% A 51 LEU HDy% 1.0 1.8 7.0 84 49 A 45 SER H A 46 ALA H 1.0 1.8 5.0 85 50 A 45 SER H A 47 MET H 1.0 1.8 6.0 86 51 A 45 SER H A 44 PHE HA 1.0 1.8 5.0 87 52 A 45 SER H A 44 PHE HBx 1.0 1.8 6.0 88 52 A 45 SER H A 44 PHE HBy 1.0 1.8 6.0 89 53 A 45 SER H A 43 ASP HBx 1.0 1.8 4.0 90 53 A 43 ASP HBy A 45 SER H 1.0 1.8 4.0 91 54 A 46 ALA H A 47 MET H 1.0 1.8 4.0 92 55 A 46 ALA H A 45 SER HBx 1.0 1.8 4.0 93 55 A 46 ALA H A 45 SER HBy 1.0 1.8 4.0 94 56 A 46 ALA H A 43 ASP HBx 1.0 1.8 5.0 95 56 A 43 ASP HBy A 46 ALA H 1.0 1.8 5.0 96 57 A 46 ALA H A 47 MET HBx 1.0 1.8 6.0 97 57 A 47 MET HBy A 46 ALA H 1.0 1.8 6.0 98 58 A 46 ALA HA A 49 LYS HBx 1.0 1.8 4.0 99 58 A 46 ALA HA A 49 LYS HBy 1.0 1.8 4.0 100 59 A 46 ALA HB% A 47 MET HA 1.0 1.8 6.0 101 60 A 46 ALA HB% A 47 MET HBx 1.0 1.8 6.0 102 60 A 47 MET HBy A 46 ALA HB% 1.0 1.8 6.0 103 61 A 47 MET H A 48 THR H 1.0 1.8 4.0 104 62 A 47 MET H A 44 PHE HA 1.0 1.8 5.0 105 63 A 47 MET H A 44 PHE HBx 1.0 1.8 6.0 106 63 A 47 MET H A 44 PHE HBy 1.0 1.8 6.0 107 64 A 46 ALA HB% A 47 MET H 1.0 1.8 4.0 108 65 A 47 MET H A 48 THR HG2% 1.0 1.8 6.0 109 65 A 47 MET H A 48 THR HG1 1.0 1.8 6.0 110 66 A 47 MET HA A 50 HIS HBx 1.0 1.8 4.0 111 66 A 47 MET HA A 50 HIS HBy 1.0 1.8 4.0 112 67 A 48 THR H A 49 LYS H 1.0 1.8 4.0 113 68 A 47 MET HA A 48 THR H 1.0 1.8 5.0 114 69 A 48 THR H A 44 PHE HBx 1.0 1.8 6.0 115 69 A 44 PHE HBy A 48 THR H 1.0 1.8 6.0 116 70 A 48 THR H A 47 MET HBx 1.0 1.8 4.0 117 70 A 47 MET HBy A 48 THR H 1.0 1.8 4.0 118 71 A 46 ALA HB% A 48 THR H 1.0 1.8 6.0 119 72 A 49 LYS H A 51 LEU H 1.0 1.8 6.0 120 73 A 49 LYS H A 50 HIS H 1.0 1.8 4.0 121 74 A 47 MET H A 49 LYS H 1.0 1.8 6.0 122 75 A 46 ALA H A 49 LYS H 1.0 1.8 6.0 123 76 A 49 LYS H A 48 THR HA 1.0 1.8 5.0 124 77 A 49 LYS H A 48 THR HB 1.0 1.8 5.0 125 78 A 49 LYS H A 50 HIS HBx 1.0 1.8 5.0 126 78 A 50 HIS HBy A 49 LYS H 1.0 1.8 5.0 127 79 A 49 LYS H A 48 THR HG2% 1.0 1.8 6.0 128 79 A 48 THR HG1 A 49 LYS H 1.0 1.8 6.0 129 80 A 53 THR HB A 49 LYS HBx 1.0 1.8 4.0 130 80 A 49 LYS HBy A 53 THR HB 1.0 1.8 4.0 131 81 A 51 LEU H A 50 HIS H 1.0 1.8 4.0 132 82 A 47 MET HA A 50 HIS H 1.0 1.8 4.0 133 83 A 50 HIS H A 48 THR HA 1.0 1.8 5.0 134 84 A 50 HIS H A 49 LYS HA 1.0 1.8 4.0 135 85 A 50 HIS H A 49 LYS HBx 1.0 1.8 3.0 136 85 A 49 LYS HBy A 50 HIS H 1.0 1.8 3.0 137 86 A 50 HIS H A 49 LYS HGx 1.0 1.8 5.0 138 86 A 50 HIS H A 49 LYS HGy 1.0 1.8 5.0 139 87 A 53 THR HB A 50 HIS HA 1.0 1.8 4.0 140 88 A 50 HIS HA A 53 THR HG2% 1.0 1.8 4.0 141 88 A 50 HIS HA A 53 THR HG1 1.0 1.8 4.0 142 89 A 50 HIS HD2 A 54 HIS HD2 1.0 1.8 5.0 143 89 A 50 HIS HD1 A 54 HIS HD2 1.0 1.8 5.0 144 89 A 54 HIS HD1 A 50 HIS HD2 1.0 1.8 5.0 145 89 A 50 HIS HD1 A 54 HIS HD1 1.0 1.8 5.0 146 90 A 50 HIS HA A 50 HIS HD2 1.0 1.8 5.0 147 90 A 50 HIS HA A 50 HIS HD1 1.0 1.8 5.0 148 91 A 51 LEU HA A 50 HIS HD2 1.0 1.8 5.0 149 91 A 50 HIS HD1 A 51 LEU HA 1.0 1.8 5.0 150 92 A 50 HIS HD1 A 50 HIS HBx 1.0 1.8 5.0 151 92 A 50 HIS HD2 A 50 HIS HBx 1.0 1.8 5.0 152 92 A 50 HIS HBy A 50 HIS HD2 1.0 1.8 5.0 153 92 A 50 HIS HBy A 50 HIS HD1 1.0 1.8 5.0 154 93 A 50 HIS HD1 A 39 GLN HGx 1.0 1.8 6.0 155 93 A 50 HIS HD2 A 39 GLN HGx 1.0 1.8 6.0 156 93 A 39 GLN HGy A 50 HIS HD2 1.0 1.8 6.0 157 93 A 39 GLN HGy A 50 HIS HD1 1.0 1.8 6.0 158 94 A 50 HIS HD1 A 51 LEU HBx 1.0 1.8 6.0 159 94 A 50 HIS HD2 A 51 LEU HBx 1.0 1.8 6.0 160 94 A 51 LEU HBy A 50 HIS HD2 1.0 1.8 6.0 161 94 A 50 HIS HD1 A 51 LEU HBy 1.0 1.8 6.0 162 95 A 50 HIS HD1 A 53 THR HG2% 1.0 1.8 6.0 163 95 A 50 HIS HD2 A 53 THR HG2% 1.0 1.8 6.0 164 95 A 53 THR HG1 A 50 HIS HD2 1.0 1.8 6.0 165 95 A 53 THR HG1 A 50 HIS HD1 1.0 1.8 6.0 166 96 A 50 HIS HD2 A 51 LEU HDx% 1.0 1.8 5.0 167 96 A 50 HIS HD1 A 51 LEU HDx% 1.0 1.8 5.0 168 96 A 51 LEU HDy% A 50 HIS HD2 1.0 1.8 5.0 169 96 A 51 LEU HDy% A 50 HIS HD1 1.0 1.8 5.0 170 97 A 50 HIS HE1 A 50 HIS HD2 1.0 1.8 6.0 171 97 A 50 HIS HD1 A 50 HIS HE1 1.0 1.8 6.0 172 98 A 50 HIS HE1 A 54 HIS HD2 1.0 1.8 6.0 173 98 A 54 HIS HD1 A 50 HIS HE1 1.0 1.8 6.0 174 99 A 50 HIS HE1 A 51 LEU HBx 1.0 1.8 6.0 175 99 A 51 LEU HBy A 50 HIS HE1 1.0 1.8 6.0 176 100 A 50 HIS HE1 A 53 THR HG2% 1.0 1.8 6.0 177 100 A 53 THR HG1 A 50 HIS HE1 1.0 1.8 6.0 178 101 A 51 LEU H A 52 ARG H 1.0 1.8 4.0 179 102 A 51 LEU H A 50 HIS HD2 1.0 1.8 5.0 180 102 A 51 LEU H A 50 HIS HD1 1.0 1.8 5.0 181 103 A 51 LEU H A 50 HIS HA 1.0 1.8 5.0 182 104 A 51 LEU H A 48 THR HB 1.0 1.8 5.0 183 105 A 51 LEU H A 50 HIS HBx 1.0 1.8 4.0 184 105 A 50 HIS HBy A 51 LEU H 1.0 1.8 4.0 185 106 A 51 LEU HA A 54 HIS HD2 1.0 1.8 3.5 186 106 A 54 HIS HD1 A 51 LEU HA 1.0 1.8 3.5 187 107 A 50 HIS H A 52 ARG H 1.0 1.8 5.0 188 108 A 52 ARG H A 53 THR H 1.0 1.8 4.0 189 109 A 51 LEU HA A 52 ARG H 1.0 1.8 4.0 190 110 A 52 ARG H A 53 THR HG2% 1.0 1.8 6.0 191 110 A 53 THR HG1 A 52 ARG H 1.0 1.8 6.0 192 111 A 52 ARG H A 51 LEU HDx% 1.0 1.8 5.0 193 111 A 51 LEU HDy% A 52 ARG H 1.0 1.8 5.0 194 112 A 53 THR H A 52 ARG HA 1.0 1.8 4.0 195 113 A 51 LEU H A 53 THR H 1.0 1.8 5.0 196 114 A 53 THR H A 54 HIS H 1.0 1.8 4.0 197 115 A 50 HIS HA A 53 THR H 1.0 1.8 5.0 198 116 A 51 LEU HA A 53 THR H 1.0 1.8 5.0 199 117 A 53 THR H A 54 HIS HBx 1.0 1.8 5.0 200 117 A 53 THR H A 54 HIS HBy 1.0 1.8 5.0 201 118 A 53 THR H A 52 ARG HBx 1.0 1.8 4.0 202 118 A 53 THR H A 52 ARG HBy 1.0 1.8 4.0 203 119 A 53 THR H A 52 ARG HGx 1.0 1.8 5.0 204 119 A 53 THR H A 52 ARG HGy 1.0 1.8 5.0 205 120 A 54 HIS H A 55 GLY H 1.0 1.8 5.0 206 121 A 54 HIS H A 53 THR HA 1.0 1.8 5.0 207 122 A 51 LEU HA A 54 HIS H 1.0 1.8 5.0 208 123 A 54 HIS H A 53 THR HG2% 1.0 1.8 6.0 209 123 A 53 THR HG1 A 54 HIS H 1.0 1.8 6.0 210 124 A 54 HIS HD1 A 54 HIS HBx 1.0 1.8 5.0 211 124 A 54 HIS HBy A 54 HIS HD2 1.0 1.8 5.0 212 124 A 54 HIS HD1 A 54 HIS HBy 1.0 1.8 5.0 213 124 A 54 HIS HD2 A 54 HIS HBx 1.0 1.8 5.0 214 125 A 54 HIS HE1 A 54 HIS HD2 1.0 1.8 6.0 215 125 A 54 HIS HD1 A 54 HIS HE1 1.0 1.8 6.0 216 126 A 37 CYS HA A 54 HIS HE1 1.0 1.8 5.0 217 127 A 54 HIS HE1 A 34 CYS HBx 1.0 1.8 6.0 218 127 A 34 CYS HBy A 54 HIS HE1 1.0 1.8 6.0 219 128 A 54 HIS HE1 A 37 CYS HBx 1.0 1.8 4.5 220 128 A 37 CYS HBy A 54 HIS HE1 1.0 1.8 4.5 221 129 A 36 LEU HG A 54 HIS HE1 1.0 1.8 6.0 222 130 A 54 HIS HE1 A 36 LEU HDx% 1.0 1.8 6.0 223 130 A 36 LEU HDy% A 54 HIS HE1 1.0 1.8 6.0 224 131 A 55 GLY H A 54 HIS HA 1.0 1.8 5.0 225 132 A 55 GLY H A 54 HIS HBx 1.0 1.8 5.0 226 132 A 54 HIS HBy A 55 GLY H 1.0 1.8 5.0 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 undefined _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 34 CYS SG B 1 ZN ZN 1.0 2.25 2.35 2 2 B 1 ZN ZN A 37 CYS SG 1.0 2.25 2.35 3 3 B 1 ZN ZN A 50 HIS NE2 1.0 1.95 2.05 4 4 B 1 ZN ZN A 54 HIS NE2 1.0 1.95 2.05 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 34 CYS H A 39 GLN O 1.0 1.8 2.3 2 2 A 39 GLN O A 34 CYS N 1.0 2.8 3.3 3 3 A 41 SER H A 32 PHE O 1.0 1.8 2.3 4 4 A 32 PHE O A 41 SER N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 29 GLU C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -131.3 -44.1 PHI 2 2 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 PRO N 1.0 86.5 184.5 PSI 3 3 A 32 PHE C A 33 SER N A 33 SER CA A 33 SER C 1.0 -159.0 -74.0 PHI 4 4 A 33 SER N A 33 SER CA A 33 SER C A 34 CYS N 1.0 100.3 170.3 PSI 5 5 A 35 SER C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -136.8 -62.2 PHI 6 6 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 CYS N 1.0 92.1 181.5 PSI 7 7 A 40 ARG C A 41 SER N A 41 SER CA A 41 SER C 1.0 -184.1 -53.9 PHI 8 8 A 41 SER N A 41 SER CA A 41 SER C A 42 ARG N 1.0 107.6 193.2 PSI 9 9 A 44 PHE C A 45 SER N A 45 SER CA A 45 SER C 1.0 -81.1 -49.7 PHI 10 10 A 45 SER N A 45 SER CA A 45 SER C A 46 ALA N 1.0 -60.8 -18.4 PSI 11 11 A 45 SER C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -87.2 -47.0 PHI 12 12 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 MET N 1.0 -48.4 -20.4 PSI 13 13 A 46 ALA C A 47 MET N A 47 MET CA A 47 MET C 1.0 -82.5 -54.9 PHI 14 14 A 47 MET N A 47 MET CA A 47 MET C A 48 THR N 1.0 -55.6 -21.4 PSI 15 15 A 47 MET C A 48 THR N A 48 THR CA A 48 THR C 1.0 -80.1 -53.5 PHI 16 16 A 48 THR N A 48 THR CA A 48 THR C A 49 LYS N 1.0 -57.5 -23.3 PSI 17 17 A 48 THR C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -72.0 -52.0 PHI 18 18 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 HIS N 1.0 -54.0 -29.2 PSI 19 19 A 49 LYS C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -79.4 -52.4 PHI 20 20 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 LEU N 1.0 -53.1 -15.7 PSI 21 21 A 50 HIS C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -73.1 -52.7 PHI 22 22 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 ARG N 1.0 -60.8 -18.6 PSI stop_ save_