data_nef_c18463_2lt8 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 4 CYS SG 1 27 CYS SG 1 11 CYS SG 1 38 CYS SG 1 15 CYS SG 1 40 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 start . false 2 A 2 PHE middle . . 3 A 3 GLY middle . false 4 A 4 CYS middle -HG . 5 A 5 PRO middle . true 6 A 6 GLY middle . false 7 A 7 ASP middle . . 8 A 8 ALA middle . . 9 A 9 TYR middle . . 10 A 10 GLN middle . . 11 A 11 CYS middle -HG . 12 A 12 SER middle . . 13 A 13 GLU middle . . 14 A 14 HIS middle . . 15 A 15 CYS middle -HG . 16 A 16 ARG middle . . 17 A 17 ALA middle . . 18 A 18 LEU middle . . 19 A 19 GLY middle . false 20 A 20 GLY middle . false 21 A 21 GLY middle . false 22 A 22 ARG middle . . 23 A 23 THR middle . . 24 A 24 GLY middle . false 25 A 25 GLY middle . false 26 A 26 TYR middle . . 27 A 27 CYS middle -HG . 28 A 28 ALA middle . . 29 A 29 GLY middle . false 30 A 30 PRO middle . false 31 A 31 TRP middle . . 32 A 32 TYR middle . . 33 A 33 LEU middle . . 34 A 34 GLY middle . false 35 A 35 HIS middle . . 36 A 36 PRO middle . false 37 A 37 THR middle . . 38 A 38 CYS middle -HG . 39 A 39 THR middle . . 40 A 40 CYS middle -HG . 41 A 41 SER middle . . 42 A 42 PHE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 HAx H 1 3.644 0.01 A 1 GLY HAy H 1 3.798 0.01 A 1 GLY CA C 13 43.080 0.01 A 2 PHE H H 1 8.600 0.01 A 2 PHE HA H 1 3.971 0.01 A 2 PHE HBx H 1 2.738 0.01 A 2 PHE HBy H 1 2.864 0.01 A 2 PHE HDx H 1 6.821 0.01 A 2 PHE HEx H 1 7.154 0.01 A 2 PHE CA C 13 59.042 0.01 A 2 PHE CB C 13 37.320 0.01 A 2 PHE CDx C 13 131.247 0.01 A 2 PHE CEx C 13 132.126 0.01 A 3 GLY H H 1 8.004 0.01 A 3 GLY HAx H 1 3.424 0.01 A 3 GLY HAy H 1 4.699 0.01 A 3 GLY CA C 13 44.873 0.01 A 4 CYS H H 1 7.575 0.01 A 4 CYS HA H 1 4.773 0.01 A 4 CYS HBx H 1 2.578 0.01 A 4 CYS HBy H 1 3.363 0.01 A 4 CYS CB C 13 37.787 0.01 A 5 PRO HA H 1 4.689 0.01 A 5 PRO HBx H 1 2.075 0.01 A 5 PRO HBy H 1 2.170 0.01 A 5 PRO HDx H 1 3.433 0.01 A 5 PRO HDy H 1 3.679 0.01 A 5 PRO HGx H 1 1.868 0.01 A 5 PRO HGy H 1 1.999 0.01 A 5 PRO CA C 13 63.109 0.01 A 5 PRO CB C 13 35.383 0.01 A 5 PRO CD C 13 50.918 0.01 A 6 GLY H H 1 8.907 0.01 A 6 GLY HAx H 1 3.803 0.01 A 6 GLY HAy H 1 4.468 0.01 A 6 GLY CA C 13 46.594 0.01 A 7 ASP H H 1 8.466 0.01 A 7 ASP HA H 1 5.007 0.01 A 7 ASP HBx H 1 2.549 0.01 A 7 ASP HBy H 1 3.184 0.01 A 7 ASP CA C 13 52.476 0.01 A 7 ASP CB C 13 40.265 0.01 A 8 ALA H H 1 8.560 0.01 A 8 ALA HA H 1 3.997 0.01 A 8 ALA HB% H 1 1.589 0.01 A 8 ALA CB C 13 18.899 0.01 A 9 TYR H H 1 8.432 0.01 A 9 TYR HA H 1 4.310 0.01 A 9 TYR HBx H 1 3.165 0.01 A 9 TYR HBy H 1 3.242 0.01 A 9 TYR HDy H 1 7.205 0.01 A 9 TYR HEy H 1 6.830 0.01 A 9 TYR CB C 13 37.479 0.01 A 9 TYR CDy C 13 133.266 0.01 A 9 TYR CEy C 13 118.280 0.01 A 10 GLN H H 1 7.861 0.01 A 10 GLN HA H 1 3.944 0.01 A 10 GLN HBx H 1 2.046 0.01 A 10 GLN HBy H 1 2.151 0.01 A 10 GLN HE2y H 1 7.642 0.01 A 10 GLN HE2x H 1 6.953 0.01 A 10 GLN HGx H 1 2.252 0.01 A 10 GLN HGy H 1 2.488 0.01 A 10 GLN CA C 13 58.635 0.01 A 10 GLN CB C 13 28.359 0.01 A 10 GLN CG C 13 34.081 0.01 A 10 GLN NE2 N 15 111.968 0.01 A 11 CYS H H 1 7.341 0.01 A 11 CYS HA H 1 4.887 0.01 A 11 CYS HBx H 1 2.654 0.01 A 11 CYS HBy H 1 3.611 0.01 A 11 CYS CA C 13 58.558 0.01 A 11 CYS CB C 13 35.874 0.01 A 12 SER H H 1 8.513 0.01 A 12 SER HA H 1 3.692 0.01 A 12 SER HBx H 1 4.097 0.01 A 12 SER CB C 13 62.945 0.01 A 12 SER N N 15 117.382 0.01 A 13 GLU H H 1 8.199 0.01 A 13 GLU HA H 1 3.830 0.01 A 13 GLU HBx H 1 1.986 0.01 A 13 GLU HGx H 1 1.912 0.01 A 13 GLU HGy H 1 2.113 0.01 A 13 GLU CA C 13 59.100 0.01 A 13 GLU CB C 13 29.300 0.01 A 13 GLU CG C 13 33.089 0.01 A 14 HIS H H 1 8.250 0.01 A 14 HIS HA H 1 4.267 0.01 A 14 HIS HBx H 1 3.312 0.01 A 14 HIS HBy H 1 3.607 0.01 A 14 HIS HD2 H 1 6.779 0.01 A 14 HIS HE1 H 1 8.039 0.01 A 14 HIS CA C 13 58.635 0.01 A 14 HIS CB C 13 27.075 0.01 A 14 HIS CD2 C 13 118.805 0.01 A 14 HIS CE1 C 13 136.687 0.01 A 15 CYS H H 1 8.419 0.01 A 15 CYS HA H 1 3.744 0.01 A 15 CYS HBx H 1 2.449 0.01 A 15 CYS HBy H 1 2.687 0.01 A 15 CYS CA C 13 59.908 0.01 A 15 CYS CB C 13 39.359 0.01 A 16 ARG H H 1 8.081 0.01 A 16 ARG HA H 1 3.595 0.01 A 16 ARG HBx H 1 1.682 0.01 A 16 ARG HBy H 1 1.756 0.01 A 16 ARG HDx H 1 3.120 0.01 A 16 ARG HE H 1 7.167 0.01 A 16 ARG HGx H 1 1.274 0.01 A 16 ARG HGy H 1 1.476 0.01 A 16 ARG CA C 13 60.189 0.01 A 16 ARG CB C 13 30.308 0.01 A 16 ARG CD C 13 43.558 0.01 A 16 ARG CG C 13 29.305 0.01 A 16 ARG NE N 15 84.487 0.01 A 17 ALA H H 1 7.763 0.01 A 17 ALA HA H 1 4.079 0.01 A 17 ALA HB% H 1 1.439 0.01 A 17 ALA CA C 13 54.160 0.01 A 17 ALA CB C 13 17.772 0.01 A 18 LEU H H 1 7.265 0.01 A 18 LEU HA H 1 4.007 0.01 A 18 LEU HBx H 1 1.222 0.01 A 18 LEU HBy H 1 1.916 0.01 A 18 LEU HDx% H 1 0.554 0.01 A 18 LEU HDy% H 1 0.626 0.01 A 18 LEU HG H 1 1.342 0.01 A 18 LEU CB C 13 42.373 0.01 A 18 LEU CDy C 13 24.983 0.01 A 18 LEU CDx C 13 21.989 0.01 A 18 LEU CG C 13 25.604 0.01 A 20 GLY H H 1 9.107 0.01 A 20 GLY HAx H 1 3.888 0.01 A 20 GLY HAy H 1 3.993 0.01 A 20 GLY CA C 13 47.074 0.01 A 21 GLY H H 1 8.671 0.01 A 21 GLY HAx H 1 3.642 0.01 A 21 GLY HAy H 1 4.402 0.01 A 21 GLY CA C 13 44.531 0.01 A 22 ARG H H 1 6.965 0.01 A 22 ARG HA H 1 3.993 0.01 A 22 ARG HBx H 1 1.068 0.01 A 22 ARG HBy H 1 1.600 0.01 A 22 ARG HDx H 1 3.069 0.01 A 22 ARG HDy H 1 3.345 0.01 A 22 ARG HE H 1 7.424 0.01 A 22 ARG HGx H 1 0.427 0.01 A 22 ARG HGy H 1 1.443 0.01 A 22 ARG CA C 13 56.615 0.01 A 22 ARG CB C 13 30.724 0.01 A 22 ARG CD C 13 44.669 0.01 A 22 ARG CG C 13 29.955 0.01 A 22 ARG N N 15 119.872 0.01 A 22 ARG NE N 15 84.858 0.01 A 23 THR H H 1 8.837 0.01 A 23 THR HA H 1 4.277 0.01 A 23 THR HB H 1 4.277 0.01 A 23 THR HG2% H 1 1.193 0.01 A 23 THR CB C 13 70.344 0.01 A 23 THR CG2 C 13 21.470 0.01 A 24 GLY H H 1 7.354 0.01 A 24 GLY HAx H 1 3.940 0.01 A 24 GLY HAy H 1 4.274 0.01 A 24 GLY CA C 13 45.157 0.01 A 25 GLY H H 1 8.054 0.01 A 25 GLY HAx H 1 4.224 0.01 A 25 GLY HAy H 1 4.851 0.01 A 25 GLY CA C 13 46.801 0.01 A 26 TYR H H 1 8.932 0.01 A 26 TYR HA H 1 4.774 0.01 A 26 TYR HBx H 1 2.965 0.01 A 26 TYR HBy H 1 3.101 0.01 A 26 TYR HDy H 1 6.847 0.01 A 26 TYR HEy H 1 6.635 0.01 A 26 TYR CB C 13 39.721 0.01 A 26 TYR CDy C 13 134.059 0.01 A 27 CYS H H 1 8.753 0.01 A 27 CYS HA H 1 5.188 0.01 A 27 CYS HBx H 1 2.812 0.01 A 27 CYS HBy H 1 4.054 0.01 A 27 CYS CA C 13 52.852 0.01 A 27 CYS CB C 13 37.300 0.01 A 28 ALA H H 1 9.122 0.01 A 28 ALA HA H 1 4.654 0.01 A 28 ALA HB% H 1 1.530 0.01 A 28 ALA CA C 13 50.603 0.01 A 28 ALA CB C 13 20.758 0.01 A 29 GLY H H 1 8.548 0.01 A 29 GLY HAx H 1 3.920 0.01 A 29 GLY HAy H 1 4.558 0.01 A 29 GLY CA C 13 44.708 0.01 A 30 PRO HA H 1 4.348 0.01 A 30 PRO HBx H 1 0.863 0.01 A 30 PRO HBy H 1 1.749 0.01 A 30 PRO HDx H 1 3.251 0.01 A 30 PRO HDy H 1 3.709 0.01 A 30 PRO HGx H 1 1.878 0.01 A 30 PRO HGy H 1 1.975 0.01 A 30 PRO CB C 13 31.840 0.01 A 30 PRO CD C 13 49.658 0.01 A 30 PRO CG C 13 27.659 0.01 A 31 TRP H H 1 9.002 0.01 A 31 TRP HA H 1 4.800 0.01 A 31 TRP HBx H 1 3.386 0.01 A 31 TRP HBy H 1 3.442 0.01 A 31 TRP HD1 H 1 7.570 0.01 A 31 TRP HE1 H 1 10.546 0.01 A 31 TRP CB C 13 27.706 0.01 A 31 TRP CD1 C 13 127.764 0.01 A 31 TRP NE1 N 15 131.415 0.01 A 32 TYR H H 1 6.367 0.01 A 32 TYR HA H 1 3.882 0.01 A 32 TYR HBx H 1 1.378 0.01 A 32 TYR HBy H 1 2.825 0.01 A 32 TYR HDx H 1 6.455 0.01 A 32 TYR HEx H 1 6.773 0.01 A 32 TYR CA C 13 58.010 0.01 A 32 TYR CB C 13 35.410 0.01 A 32 TYR CDx C 13 133.109 0.01 A 32 TYR CEx C 13 120.169 0.01 A 33 LEU HA H 1 4.450 0.01 A 33 LEU HBx H 1 1.090 0.01 A 33 LEU HBy H 1 1.660 0.01 A 33 LEU HDx% H 1 0.788 0.01 A 33 LEU HDy% H 1 0.824 0.01 A 33 LEU HG H 1 0.948 0.01 A 33 LEU CA C 13 53.688 0.01 A 33 LEU CB C 13 42.778 0.01 A 33 LEU CDy C 13 25.266 0.01 A 33 LEU CDx C 13 21.934 0.01 A 33 LEU CG C 13 26.162 0.01 A 34 GLY H H 1 7.632 0.01 A 34 GLY HAx H 1 3.527 0.01 A 34 GLY HAy H 1 3.852 0.01 A 34 GLY CA C 13 45.810 0.01 A 35 HIS H H 1 7.334 0.01 A 35 HIS HA H 1 3.705 0.01 A 35 HIS HBx H 1 2.527 0.01 A 35 HIS HBy H 1 3.871 0.01 A 35 HIS HD2 H 1 7.460 0.01 A 35 HIS HE1 H 1 8.776 0.01 A 35 HIS CB C 13 25.764 0.01 A 35 HIS CD2 C 13 120.248 0.01 A 35 HIS CE1 C 13 136.571 0.01 A 36 PRO HA H 1 3.874 0.01 A 36 PRO HBx H 1 1.883 0.01 A 36 PRO HBy H 1 2.106 0.01 A 36 PRO HDx H 1 3.215 0.01 A 36 PRO HDy H 1 3.506 0.01 A 36 PRO HGx H 1 1.983 0.01 A 36 PRO CA C 13 64.072 0.01 A 36 PRO CD C 13 49.345 0.01 A 37 THR H H 1 8.185 0.01 A 37 THR HA H 1 4.356 0.01 A 37 THR HB H 1 3.542 0.01 A 37 THR HG2% H 1 1.043 0.01 A 37 THR CB C 13 69.525 0.01 A 37 THR CG2 C 13 22.264 0.01 A 38 CYS H H 1 9.046 0.01 A 38 CYS HA H 1 5.026 0.01 A 38 CYS HBx H 1 2.591 0.01 A 38 CYS HBy H 1 3.363 0.01 A 38 CYS CA C 13 57.050 0.01 A 38 CYS CB C 13 34.921 0.01 A 39 THR H H 1 9.272 0.01 A 39 THR HA H 1 4.277 0.01 A 39 THR HB H 1 3.017 0.01 A 39 THR HG2% H 1 1.053 0.01 A 39 THR CB C 13 70.474 0.01 A 39 THR CG2 C 13 20.339 0.01 A 40 CYS H H 1 8.658 0.01 A 40 CYS HA H 1 5.467 0.01 A 40 CYS HBx H 1 2.716 0.01 A 40 CYS HBy H 1 2.781 0.01 A 40 CYS CA C 13 52.065 0.01 A 40 CYS CB C 13 35.086 0.01 A 41 SER H H 1 8.680 0.01 A 41 SER HA H 1 4.771 0.01 A 41 SER HBx H 1 3.726 0.01 A 41 SER CB C 13 66.158 0.01 A 42 PHE H H 1 8.448 0.01 A 42 PHE HA H 1 4.628 0.01 A 42 PHE HBx H 1 2.730 0.01 A 42 PHE HDx H 1 7.146 0.01 A 42 PHE HEx H 1 7.248 0.01 A 42 PHE HZ H 1 7.060 0.01 A 42 PHE CA C 13 59.252 0.01 A 42 PHE CEx C 13 131.400 0.01 A 42 PHE CZ C 13 129.126 0.01 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 40 CYS HA A 25 GLY HAx 1.0 1.0 2.46 2 1 A 25 GLY HAy A 40 CYS HA 1.0 1.0 2.46 3 2 A 11 CYS HA A 11 CYS HBx 1.0 1.0 2.40 4 2 A 11 CYS HA A 11 CYS HBy 1.0 1.0 2.40 5 3 A 10 GLN HA A 10 GLN HBx 1.0 1.0 2.71 6 3 A 10 GLN HA A 10 GLN HBy 1.0 1.0 2.71 7 4 A 27 CYS HA A 38 CYS HA 1.0 1.0 2.68 8 5 A 22 ARG HA A 42 PHE HA 1.0 1.0 2.43 9 6 A 42 PHE HA A 42 PHE HD% 1.0 1.0 6.17 10 7 A 32 TYR HE% A 33 LEU HG 1.0 1.0 6.11 11 8 A 14 HIS HD1 A 14 HIS HBx 1.0 1.0 2.87 12 8 A 14 HIS HD2 A 14 HIS HBx 1.0 1.0 2.87 13 8 A 14 HIS HBy A 14 HIS HD2 1.0 1.0 2.87 14 8 A 14 HIS HBy A 14 HIS HD1 1.0 1.0 2.87 15 9 A 28 ALA HA A 35 HIS HD2 1.0 1.0 3.70 16 9 A 28 ALA HA A 35 HIS HD1 1.0 1.0 3.70 17 10 A 26 TYR HA A 26 TYR HD% 1.0 1.0 6.79 18 11 A 30 PRO HA A 31 TRP HD1 1.0 1.0 5.50 19 12 A 31 TRP HD1 A 31 TRP HA 1.0 1.0 5.50 20 13 A 33 LEU HG A 32 TYR HD% 1.0 1.0 5.49 21 14 A 16 ARG HA A 16 ARG HGx 1.0 1.0 3.36 22 14 A 16 ARG HA A 16 ARG HGy 1.0 1.0 3.36 23 15 A 42 PHE HZ A 22 ARG HGx 1.0 1.0 4.29 24 15 A 22 ARG HGy A 42 PHE HZ 1.0 1.0 4.29 25 16 A 33 LEU HG A 33 LEU HA 1.0 1.0 3.45 26 17 A 31 TRP HA A 31 TRP HE3 1.0 1.0 4.38 27 17 A 31 TRP HA A 31 TRP HE1 1.0 1.0 4.38 28 18 A 9 TYR HD% A 10 GLN HBx 1.0 1.0 7.44 29 18 A 10 GLN HBy A 9 TYR HD% 1.0 1.0 7.44 30 19 A 15 CYS HA A 14 HIS HD2 1.0 1.0 3.98 31 19 A 14 HIS HD1 A 15 CYS HA 1.0 1.0 3.98 32 20 A 32 TYR HE% A 30 PRO HGx 1.0 1.0 7.63 33 20 A 32 TYR HE% A 30 PRO HGy 1.0 1.0 7.63 34 21 A 9 TYR HE% A 10 GLN HBx 1.0 1.0 7.14 35 21 A 10 GLN HBy A 9 TYR HE% 1.0 1.0 7.14 36 22 A 28 ALA HB% A 37 THR HB 1.0 1.0 4.94 37 23 A 38 CYS HA A 37 THR HG2% 1.0 1.0 5.65 38 23 A 38 CYS HA A 37 THR HG1 1.0 1.0 5.65 39 24 A 26 TYR HD% A 28 ALA HB% 1.0 1.0 6.85 40 25 A 17 ALA HB% A 18 LEU HA 1.0 1.0 3.91 41 26 A 23 THR HA A 23 THR HG2% 1.0 1.0 3.42 42 26 A 23 THR HA A 23 THR HG1 1.0 1.0 3.42 43 27 A 42 PHE HA A 23 THR HG2% 1.0 1.0 4.01 44 27 A 42 PHE HA A 23 THR HG1 1.0 1.0 4.01 45 28 A 39 THR HB A 37 THR HG2% 1.0 1.0 4.42 46 28 A 37 THR HG1 A 39 THR HB 1.0 1.0 4.42 47 29 A 40 CYS HA A 39 THR HG2% 1.0 1.0 5.46 48 29 A 40 CYS HA A 39 THR HG1 1.0 1.0 5.46 49 30 A 7 ASP HA A 8 ALA HB% 1.0 1.0 5.96 50 31 A 17 ALA HB% A 14 HIS HA 1.0 1.0 3.60 51 32 A 7 ASP H A 7 ASP HBx 1.0 1.0 3.02 52 32 A 7 ASP H A 7 ASP HBy 1.0 1.0 3.02 53 33 A 38 CYS HA A 39 THR H 1.0 1.0 2.40 54 34 A 27 CYS HA A 39 THR H 1.0 1.0 3.48 55 35 A 39 THR HB A 39 THR H 1.0 1.0 2.80 56 36 A 37 THR HA A 38 CYS H 1.0 1.0 2.40 57 37 A 8 ALA H A 8 ALA HA 1.0 1.0 2.93 58 38 A 39 THR HA A 40 CYS H 1.0 1.0 2.40 59 39 A 9 TYR HA A 12 SER H 1.0 1.0 3.73 60 40 A 2 PHE HA A 3 GLY H 1.0 1.0 2.74 61 41 A 3 GLY H A 4 CYS H 1.0 1.0 2.86 62 42 A 2 PHE HA A 2 PHE H 1.0 1.0 2.40 63 43 A 37 THR H A 36 PRO HBx 1.0 1.0 3.48 64 43 A 36 PRO HBy A 37 THR H 1.0 1.0 3.48 65 44 A 12 SER H A 11 CYS HBx 1.0 1.0 2.68 66 44 A 11 CYS HBy A 12 SER H 1.0 1.0 2.68 67 45 A 11 CYS H A 11 CYS HBx 1.0 1.0 2.52 68 45 A 11 CYS HBy A 11 CYS H 1.0 1.0 2.52 69 46 A 37 THR HB A 37 THR H 1.0 1.0 2.43 70 47 A 10 GLN H A 10 GLN HBx 1.0 1.0 2.93 71 47 A 10 GLN HBy A 10 GLN H 1.0 1.0 2.93 72 48 A 11 CYS H A 10 GLN H 1.0 1.0 2.80 73 49 A 16 ARG HA A 19 GLY H 1.0 1.0 3.89 74 50 A 23 THR H A 24 GLY H 1.0 1.0 2.40 75 51 A 42 PHE HA A 23 THR H 1.0 1.0 2.80 76 52 A 28 ALA HA A 29 GLY H 1.0 1.0 2.83 77 53 A 8 ALA H A 9 TYR HBx 1.0 1.0 4.66 78 53 A 8 ALA H A 9 TYR HBy 1.0 1.0 4.66 79 54 A 39 THR H A 39 THR HA 1.0 1.0 2.93 80 55 A 31 TRP H A 32 TYR H 1.0 1.0 3.33 81 56 A 13 GLU HA A 16 ARG H 1.0 1.0 3.61 82 57 A 16 ARG HA A 16 ARG H 1.0 1.0 2.86 83 58 A 10 GLN H A 9 TYR H 1.0 1.0 2.77 84 59 A 9 TYR H A 9 TYR HBx 1.0 1.0 2.62 85 59 A 9 TYR HBy A 9 TYR H 1.0 1.0 2.62 86 60 A 30 PRO HA A 31 TRP H 1.0 1.0 2.40 87 61 A 14 HIS HA A 17 ALA H 1.0 1.0 3.79 88 62 A 16 ARG H A 17 ALA H 1.0 1.0 2.86 89 63 A 17 ALA H A 18 LEU H 1.0 1.0 2.83 90 64 A 12 SER HA A 25 GLY H 1.0 1.0 2.93 91 65 A 24 GLY H A 25 GLY H 1.0 1.0 4.29 92 66 A 5 PRO HA A 6 GLY H 1.0 1.0 2.49 93 67 A 7 ASP H A 6 GLY H 1.0 1.0 3.14 94 68 A 40 CYS HA A 41 SER H 1.0 1.0 2.40 95 69 A 25 GLY H A 41 SER H 1.0 1.0 4.20 96 70 A 12 SER HA A 15 CYS H 1.0 1.0 3.52 97 71 A 16 ARG H A 15 CYS H 1.0 1.0 3.42 98 72 A 15 CYS H A 14 HIS HBx 1.0 1.0 2.71 99 72 A 14 HIS HBy A 15 CYS H 1.0 1.0 2.71 100 73 A 13 GLU H A 13 GLU HBx 1.0 1.0 2.40 101 73 A 13 GLU H A 13 GLU HBy 1.0 1.0 2.40 102 74 A 14 HIS H A 13 GLU HBx 1.0 1.0 2.71 103 74 A 13 GLU HBy A 14 HIS H 1.0 1.0 2.71 104 75 A 15 CYS HA A 18 LEU H 1.0 1.0 3.36 105 76 A 16 ARG HA A 18 LEU H 1.0 1.0 4.38 106 77 A 13 GLU HA A 13 GLU H 1.0 1.0 2.77 107 78 A 12 SER H A 13 GLU H 1.0 1.0 2.90 108 79 A 10 GLN HA A 13 GLU H 1.0 1.0 3.39 109 80 A 21 GLY H A 22 ARG H 1.0 1.0 2.59 110 81 A 22 ARG HA A 22 ARG H 1.0 1.0 2.77 111 82 A 10 GLN HA A 10 GLN H 1.0 1.0 2.86 112 83 A 33 LEU HA A 34 GLY H 1.0 1.0 3.39 113 84 A 22 ARG HA A 23 THR H 1.0 1.0 2.40 114 85 A 23 THR HA A 24 GLY H 1.0 1.0 3.40 115 86 A 14 HIS HA A 14 HIS H 1.0 1.0 2.90 116 87 A 14 HIS H A 14 HIS HBx 1.0 1.0 2.40 117 87 A 14 HIS HBy A 14 HIS H 1.0 1.0 2.40 118 88 A 11 CYS HA A 14 HIS H 1.0 1.0 3.67 119 89 A 10 GLN HA A 14 HIS H 1.0 1.0 4.20 120 90 A 27 CYS HA A 28 ALA H 1.0 1.0 2.40 121 91 A 32 TYR HA A 32 TYR HBx 1.0 1.0 2.56 122 91 A 32 TYR HA A 32 TYR HBy 1.0 1.0 2.56 123 92 A 8 ALA HA A 11 CYS HBx 1.0 1.0 3.39 124 92 A 11 CYS HBy A 8 ALA HA 1.0 1.0 3.39 125 93 A 10 GLN H A 9 TYR HBx 1.0 1.0 2.80 126 93 A 10 GLN H A 9 TYR HBy 1.0 1.0 2.80 127 94 A 3 GLY H A 2 PHE H 1.0 1.0 2.93 128 95 A 2 PHE H A 1 GLY HAx 1.0 1.0 2.65 129 95 A 2 PHE H A 1 GLY HAy 1.0 1.0 2.65 130 96 A 19 GLY H A 20 GLY H 1.0 1.0 4.51 131 97 A 20 GLY H A 20 GLY HAx 1.0 1.0 2.83 132 97 A 20 GLY H A 20 GLY HAy 1.0 1.0 2.83 133 98 A 21 GLY H A 20 GLY H 1.0 1.0 3.05 134 99 A 17 ALA H A 17 ALA HA 1.0 1.0 2.83 135 100 A 12 SER H A 11 CYS H 1.0 1.0 2.80 136 101 A 11 CYS H A 10 GLN HBx 1.0 1.0 3.45 137 101 A 10 GLN HBy A 11 CYS H 1.0 1.0 3.45 138 102 A 8 ALA HA A 11 CYS H 1.0 1.0 4.11 139 103 A 39 THR HB A 40 CYS H 1.0 1.0 4.11 140 104 A 16 ARG H A 12 SER HA 1.0 1.0 3.89 141 105 A 16 ARG H A 24 GLY HAx 1.0 1.0 4.38 142 105 A 16 ARG H A 24 GLY HAy 1.0 1.0 4.38 143 106 A 39 THR H A 26 TYR H 1.0 1.0 3.14 144 107 A 25 GLY H A 26 TYR H 1.0 1.0 5.50 145 108 A 15 CYS HA A 18 LEU HG 1.0 1.0 3.48 146 109 A 18 LEU HG A 14 HIS HE1 1.0 1.0 5.10 147 110 A 18 LEU HA A 18 LEU HG 1.0 1.0 3.24 148 111 A 42 PHE HD% A 22 ARG HGx 1.0 1.0 7.63 149 111 A 42 PHE HD% A 22 ARG HGy 1.0 1.0 7.63 150 112 A 3 GLY H A 10 GLN HBx 1.0 1.0 5.50 151 112 A 10 GLN HBy A 3 GLY H 1.0 1.0 5.50 152 113 A 2 PHE HA A 2 PHE HD% 1.0 1.0 5.15 153 114 A 13 GLU HA A 16 ARG HE 1.0 1.0 4.97 154 115 A 19 GLY H A 22 ARG HDx 1.0 1.0 3.27 155 115 A 19 GLY H A 22 ARG HDy 1.0 1.0 3.27 156 116 A 37 THR HB A 29 GLY H 1.0 1.0 5.50 157 117 A 31 TRP HD1 A 31 TRP H 1.0 1.0 3.48 158 118 A 35 HIS HA A 35 HIS HD2 1.0 1.0 3.55 159 118 A 35 HIS HD1 A 35 HIS HA 1.0 1.0 3.55 160 119 A 26 TYR HD% A 27 CYS H 1.0 1.0 7.13 161 120 A 18 LEU H A 18 LEU HG 1.0 1.0 2.74 162 121 A 22 ARG H A 22 ARG HDx 1.0 1.0 5.50 163 121 A 22 ARG H A 22 ARG HDy 1.0 1.0 5.50 164 122 A 37 THR HB A 28 ALA H 1.0 1.0 4.66 165 123 A 32 TYR HD% A 32 TYR HA 1.0 1.0 7.50 166 124 A 2 PHE H A 2 PHE HD% 1.0 1.0 6.88 167 125 A 9 TYR HD% A 9 TYR HA 1.0 1.0 5.71 168 126 A 26 TYR H A 26 TYR HE% 1.0 1.0 7.63 169 127 A 26 TYR HD% A 26 TYR H 1.0 1.0 6.02 170 128 A 28 ALA HB% A 39 THR H 1.0 1.0 6.52 171 129 A 26 TYR HE% A 39 THR HG2% 1.0 1.0 6.85 172 129 A 39 THR HG1 A 26 TYR HE% 1.0 1.0 6.85 173 130 A 8 ALA HB% A 27 CYS H 1.0 1.0 4.88 174 131 A 40 CYS H A 39 THR HG2% 1.0 1.0 4.29 175 131 A 39 THR HG1 A 40 CYS H 1.0 1.0 4.29 176 132 A 8 ALA HB% A 12 SER H 1.0 1.0 6.52 177 133 A 17 ALA HB% A 17 ALA H 1.0 1.0 3.48 178 134 A 39 THR H A 39 THR HG2% 1.0 1.0 5.37 179 134 A 39 THR HG1 A 39 THR H 1.0 1.0 5.37 180 135 A 23 THR H A 23 THR HG2% 1.0 1.0 4.16 181 135 A 23 THR HG1 A 23 THR H 1.0 1.0 4.16 182 136 A 8 ALA HB% A 8 ALA H 1.0 1.0 4.16 183 137 A 8 ALA HB% A 9 TYR H 1.0 1.0 4.53 184 138 A 28 ALA HB% A 29 GLY H 1.0 1.0 3.48 185 139 A 37 THR H A 37 THR HG2% 1.0 1.0 5.87 186 139 A 37 THR HG1 A 37 THR H 1.0 1.0 5.87 187 140 A 38 CYS H A 37 THR HG2% 1.0 1.0 4.75 188 140 A 37 THR HG1 A 38 CYS H 1.0 1.0 4.75 189 141 A 37 THR HA A 37 THR HG2% 1.0 1.0 3.45 190 141 A 37 THR HG1 A 37 THR HA 1.0 1.0 3.45 191 142 A 26 TYR HD% A 39 THR HG2% 1.0 1.0 8.65 192 142 A 26 TYR HD% A 39 THR HG1 1.0 1.0 8.65 193 143 A 17 ALA HB% A 18 LEU H 1.0 1.0 4.01 194 144 A 18 LEU H A 18 LEU HDx% 1.0 1.0 5.90 195 144 A 18 LEU H A 18 LEU HDy% 1.0 1.0 5.90 196 145 A 8 ALA HB% A 11 CYS H 1.0 1.0 6.52 197 146 A 28 ALA HB% A 39 THR HB 1.0 1.0 4.53 198 147 A 26 TYR H A 39 THR HG2% 1.0 1.0 6.52 199 147 A 39 THR HG1 A 26 TYR H 1.0 1.0 6.52 200 148 A 15 CYS SG A 40 CYS SG 1.0 1.0 2.10 201 149 A 15 CYS SG A 40 CYS CB 1.0 1.0 3.10 202 150 A 40 CYS SG A 15 CYS CB 1.0 1.0 3.10 203 151 A 11 CYS SG A 38 CYS SG 1.0 1.0 2.10 204 152 A 11 CYS SG A 38 CYS CB 1.0 1.0 3.10 205 153 A 38 CYS SG A 11 CYS CB 1.0 1.0 3.10 206 154 A 4 CYS SG A 27 CYS SG 1.0 1.0 2.10 207 155 A 4 CYS SG A 27 CYS CB 1.0 1.0 3.10 208 156 A 27 CYS SG A 4 CYS CB 1.0 1.0 3.10 209 157 A 3 GLY H A 1 GLY HAx 1.0 1.0 3.82 210 157 A 3 GLY H A 1 GLY HAy 1.0 1.0 3.82 211 158 A 2 PHE H A 2 PHE HBx 1.0 1.0 3.43 212 158 A 2 PHE H A 2 PHE HBy 1.0 1.0 3.43 213 159 A 11 CYS HA A 2 PHE HBx 1.0 1.0 3.10 214 159 A 11 CYS HA A 2 PHE HBy 1.0 1.0 3.10 215 160 A 14 HIS HD1 A 2 PHE HBx 1.0 1.0 4.10 216 160 A 14 HIS HD2 A 2 PHE HBx 1.0 1.0 4.10 217 160 A 2 PHE HBy A 14 HIS HD2 1.0 1.0 4.10 218 160 A 14 HIS HD1 A 2 PHE HBy 1.0 1.0 4.10 219 161 A 3 GLY H A 3 GLY HAx 1.0 1.0 2.39 220 161 A 3 GLY H A 3 GLY HAy 1.0 1.0 2.39 221 162 A 3 GLY H A 10 GLN HGx 1.0 1.0 5.34 222 162 A 3 GLY H A 10 GLN HGy 1.0 1.0 5.34 223 163 A 3 GLY HAy A 10 GLN HBx 1.0 1.0 3.20 224 163 A 3 GLY HAx A 10 GLN HBx 1.0 1.0 3.20 225 163 A 10 GLN HBy A 3 GLY HAx 1.0 1.0 3.20 226 163 A 10 GLN HBy A 3 GLY HAy 1.0 1.0 3.20 227 164 A 3 GLY HAx A 10 GLN HGx 1.0 1.0 4.91 228 164 A 3 GLY HAy A 10 GLN HGx 1.0 1.0 4.91 229 164 A 10 GLN HGy A 3 GLY HAx 1.0 1.0 4.91 230 164 A 3 GLY HAy A 10 GLN HGy 1.0 1.0 4.91 231 165 A 3 GLY HAy A 10 GLN HE2y 1.0 1.0 5.18 232 165 A 3 GLY HAx A 10 GLN HE2y 1.0 1.0 5.18 233 165 A 10 GLN HE2x A 3 GLY HAx 1.0 1.0 5.18 234 165 A 3 GLY HAy A 10 GLN HE2x 1.0 1.0 5.18 235 166 A 4 CYS H A 4 CYS HBx 1.0 1.0 2.78 236 166 A 4 CYS H A 4 CYS HBy 1.0 1.0 2.78 237 167 A 5 PRO HA A 4 CYS HBx 1.0 1.0 3.73 238 167 A 5 PRO HA A 4 CYS HBy 1.0 1.0 3.73 239 168 A 5 PRO HA A 27 CYS HBx 1.0 1.0 4.38 240 168 A 5 PRO HA A 27 CYS HBy 1.0 1.0 4.38 241 169 A 5 PRO HA A 35 HIS HBx 1.0 1.0 3.41 242 169 A 5 PRO HA A 35 HIS HBy 1.0 1.0 3.41 243 170 A 6 GLY H A 5 PRO HBx 1.0 1.0 3.59 244 170 A 6 GLY H A 5 PRO HBy 1.0 1.0 3.59 245 171 A 6 GLY H A 6 GLY HAx 1.0 1.0 2.46 246 171 A 6 GLY H A 6 GLY HAy 1.0 1.0 2.46 247 172 A 7 ASP H A 6 GLY HAx 1.0 1.0 2.89 248 172 A 7 ASP H A 6 GLY HAy 1.0 1.0 2.89 249 173 A 7 ASP HA A 7 ASP HBy 1.0 1.0 2.55 250 173 A 7 ASP HA A 7 ASP HBx 1.0 1.0 2.55 251 174 A 7 ASP HBy A 8 ALA H 1.0 1.0 4.12 252 174 A 8 ALA H A 7 ASP HBx 1.0 1.0 4.12 253 175 A 9 TYR HD% A 12 SER HBx 1.0 1.0 7.23 254 175 A 9 TYR HD% A 12 SER HBy 1.0 1.0 7.23 255 176 A 10 GLN H A 10 GLN HGx 1.0 1.0 4.19 256 176 A 10 GLN H A 10 GLN HGy 1.0 1.0 4.19 257 177 A 10 GLN HA A 10 GLN HE2y 1.0 1.0 5.34 258 177 A 10 GLN HA A 10 GLN HE2x 1.0 1.0 5.34 259 178 A 10 GLN HBy A 10 GLN HE2y 1.0 1.0 4.08 260 178 A 10 GLN HBx A 10 GLN HE2y 1.0 1.0 4.08 261 178 A 10 GLN HE2x A 10 GLN HBx 1.0 1.0 4.08 262 178 A 10 GLN HBy A 10 GLN HE2x 1.0 1.0 4.08 263 179 A 12 SER H A 12 SER HBx 1.0 1.0 2.82 264 179 A 12 SER H A 12 SER HBy 1.0 1.0 2.82 265 180 A 12 SER HA A 12 SER HBx 1.0 1.0 2.55 266 180 A 12 SER HA A 12 SER HBy 1.0 1.0 2.55 267 181 A 13 GLU H A 12 SER HBx 1.0 1.0 2.81 268 181 A 13 GLU H A 12 SER HBy 1.0 1.0 2.81 269 182 A 25 GLY H A 12 SER HBx 1.0 1.0 3.29 270 182 A 25 GLY H A 12 SER HBy 1.0 1.0 3.29 271 183 A 13 GLU H A 13 GLU HGx 1.0 1.0 3.14 272 183 A 13 GLU H A 13 GLU HGy 1.0 1.0 3.14 273 184 A 13 GLU HA A 16 ARG HBx 1.0 1.0 2.63 274 184 A 13 GLU HA A 16 ARG HBy 1.0 1.0 2.63 275 185 A 14 HIS H A 13 GLU HGx 1.0 1.0 5.34 276 185 A 14 HIS H A 13 GLU HGy 1.0 1.0 5.34 277 186 A 14 HIS HD2 A 18 LEU HDx% 1.0 1.0 5.32 278 186 A 14 HIS HD1 A 18 LEU HDx% 1.0 1.0 5.32 279 186 A 18 LEU HDy% A 14 HIS HD2 1.0 1.0 5.32 280 186 A 14 HIS HD1 A 18 LEU HDy% 1.0 1.0 5.32 281 187 A 14 HIS HD2 A 38 CYS HBx 1.0 1.0 4.70 282 187 A 14 HIS HD1 A 38 CYS HBx 1.0 1.0 4.70 283 187 A 38 CYS HBy A 14 HIS HD2 1.0 1.0 4.70 284 187 A 14 HIS HD1 A 38 CYS HBy 1.0 1.0 4.70 285 188 A 14 HIS HE1 A 18 LEU HDx% 1.0 1.0 4.15 286 188 A 14 HIS HE1 A 18 LEU HDy% 1.0 1.0 4.15 287 189 A 15 CYS H A 15 CYS HBx 1.0 1.0 2.38 288 189 A 15 CYS H A 15 CYS HBy 1.0 1.0 2.38 289 190 A 15 CYS HA A 15 CYS HBx 1.0 1.0 2.43 290 190 A 15 CYS HA A 15 CYS HBy 1.0 1.0 2.43 291 191 A 15 CYS HA A 18 LEU HDx% 1.0 1.0 3.65 292 191 A 15 CYS HA A 18 LEU HDy% 1.0 1.0 3.65 293 192 A 15 CYS HA A 22 ARG HDy 1.0 1.0 3.35 294 192 A 15 CYS HA A 22 ARG HDx 1.0 1.0 3.35 295 193 A 16 ARG H A 15 CYS HBx 1.0 1.0 2.65 296 193 A 16 ARG H A 15 CYS HBy 1.0 1.0 2.65 297 194 A 15 CYS HBx A 22 ARG HBx 1.0 1.0 3.04 298 194 A 15 CYS HBy A 22 ARG HBx 1.0 1.0 3.04 299 194 A 22 ARG HBy A 15 CYS HBx 1.0 1.0 3.04 300 194 A 15 CYS HBy A 22 ARG HBy 1.0 1.0 3.04 301 195 A 24 GLY H A 15 CYS HBx 1.0 1.0 4.44 302 195 A 24 GLY H A 15 CYS HBy 1.0 1.0 4.44 303 196 A 25 GLY H A 15 CYS HBx 1.0 1.0 5.34 304 196 A 25 GLY H A 15 CYS HBy 1.0 1.0 5.34 305 197 A 40 CYS HA A 15 CYS HBx 1.0 1.0 3.44 306 197 A 40 CYS HA A 15 CYS HBy 1.0 1.0 3.44 307 198 A 41 SER H A 15 CYS HBx 1.0 1.0 4.44 308 198 A 41 SER H A 15 CYS HBy 1.0 1.0 4.44 309 199 A 16 ARG H A 16 ARG HBx 1.0 1.0 2.56 310 199 A 16 ARG H A 16 ARG HBy 1.0 1.0 2.56 311 200 A 16 ARG HGy A 16 ARG H 1.0 1.0 2.82 312 200 A 16 ARG H A 16 ARG HGx 1.0 1.0 2.82 313 201 A 16 ARG HA A 16 ARG HBx 1.0 1.0 2.49 314 201 A 16 ARG HA A 16 ARG HBy 1.0 1.0 2.49 315 202 A 16 ARG HGy A 16 ARG HBy 1.0 1.0 2.33 316 202 A 16 ARG HBy A 16 ARG HGx 1.0 1.0 2.33 317 202 A 16 ARG HBx A 16 ARG HGx 1.0 1.0 2.33 318 202 A 16 ARG HGy A 16 ARG HBx 1.0 1.0 2.33 319 203 A 16 ARG HBy A 16 ARG HDx 1.0 1.0 2.83 320 203 A 16 ARG HBx A 16 ARG HDx 1.0 1.0 2.83 321 203 A 16 ARG HDy A 16 ARG HBx 1.0 1.0 2.83 322 203 A 16 ARG HBy A 16 ARG HDy 1.0 1.0 2.83 323 204 A 16 ARG HE A 16 ARG HBx 1.0 1.0 3.87 324 204 A 16 ARG HE A 16 ARG HBy 1.0 1.0 3.87 325 205 A 17 ALA H A 16 ARG HBx 1.0 1.0 3.37 326 205 A 17 ALA H A 16 ARG HBy 1.0 1.0 3.37 327 206 A 16 ARG HGy A 16 ARG HDx 1.0 1.0 2.28 328 206 A 16 ARG HDx A 16 ARG HGx 1.0 1.0 2.28 329 206 A 16 ARG HGy A 16 ARG HDy 1.0 1.0 2.28 330 206 A 16 ARG HDy A 16 ARG HGx 1.0 1.0 2.28 331 207 A 17 ALA H A 16 ARG HDx 1.0 1.0 5.34 332 207 A 17 ALA H A 16 ARG HDy 1.0 1.0 5.34 333 208 A 18 LEU H A 18 LEU HBx 1.0 1.0 2.98 334 208 A 18 LEU H A 18 LEU HBy 1.0 1.0 2.98 335 209 A 18 LEU HA A 18 LEU HBx 1.0 1.0 2.40 336 209 A 18 LEU HA A 18 LEU HBy 1.0 1.0 2.40 337 210 A 18 LEU HA A 18 LEU HDx% 1.0 1.0 3.32 338 210 A 18 LEU HA A 18 LEU HDy% 1.0 1.0 3.32 339 211 A 18 LEU HG A 18 LEU HBx 1.0 1.0 2.45 340 211 A 18 LEU HG A 18 LEU HBy 1.0 1.0 2.45 341 212 A 19 GLY H A 18 LEU HBx 1.0 1.0 3.43 342 212 A 19 GLY H A 18 LEU HBy 1.0 1.0 3.43 343 213 A 22 ARG HDy A 18 LEU HBy 1.0 1.0 2.37 344 213 A 18 LEU HBx A 22 ARG HDx 1.0 1.0 2.37 345 213 A 18 LEU HBy A 22 ARG HDx 1.0 1.0 2.37 346 213 A 22 ARG HDy A 18 LEU HBx 1.0 1.0 2.37 347 214 A 19 GLY H A 18 LEU HDx% 1.0 1.0 4.96 348 214 A 19 GLY H A 18 LEU HDy% 1.0 1.0 4.96 349 215 A 22 ARG HDy A 18 LEU HDy% 1.0 1.0 3.65 350 215 A 18 LEU HDx% A 22 ARG HDx 1.0 1.0 3.65 351 215 A 18 LEU HDy% A 22 ARG HDx 1.0 1.0 3.65 352 215 A 22 ARG HDy A 18 LEU HDx% 1.0 1.0 3.65 353 216 A 20 GLY H A 19 GLY HAx 1.0 1.0 2.38 354 216 A 20 GLY H A 19 GLY HAy 1.0 1.0 2.38 355 217 A 22 ARG HE A 19 GLY HAx 1.0 1.0 5.23 356 217 A 19 GLY HAy A 22 ARG HE 1.0 1.0 5.23 357 218 A 21 GLY H A 20 GLY HAx 1.0 1.0 2.80 358 218 A 21 GLY H A 20 GLY HAy 1.0 1.0 2.80 359 219 A 42 PHE HD% A 20 GLY HAx 1.0 1.0 6.54 360 219 A 42 PHE HD% A 20 GLY HAy 1.0 1.0 6.54 361 220 A 21 GLY H A 21 GLY HAx 1.0 1.0 2.45 362 220 A 21 GLY H A 21 GLY HAy 1.0 1.0 2.45 363 221 A 22 ARG H A 21 GLY HAx 1.0 1.0 2.99 364 221 A 22 ARG H A 21 GLY HAy 1.0 1.0 2.99 365 222 A 42 PHE HD% A 21 GLY HAx 1.0 1.0 6.20 366 222 A 42 PHE HD% A 21 GLY HAy 1.0 1.0 6.20 367 223 A 42 PHE HE% A 21 GLY HAx 1.0 1.0 7.31 368 223 A 21 GLY HAy A 42 PHE HE% 1.0 1.0 7.31 369 224 A 22 ARG H A 22 ARG HBx 1.0 1.0 2.95 370 224 A 22 ARG H A 22 ARG HBy 1.0 1.0 2.95 371 225 A 22 ARG HGy A 22 ARG H 1.0 1.0 2.45 372 225 A 22 ARG H A 22 ARG HGx 1.0 1.0 2.45 373 226 A 22 ARG HA A 22 ARG HBx 1.0 1.0 2.38 374 226 A 22 ARG HA A 22 ARG HBy 1.0 1.0 2.38 375 227 A 22 ARG HA A 22 ARG HGy 1.0 1.0 2.93 376 227 A 22 ARG HA A 22 ARG HGx 1.0 1.0 2.93 377 228 A 22 ARG HDy A 22 ARG HBy 1.0 1.0 2.46 378 228 A 22 ARG HBy A 22 ARG HDx 1.0 1.0 2.46 379 228 A 22 ARG HBx A 22 ARG HDx 1.0 1.0 2.46 380 228 A 22 ARG HDy A 22 ARG HBx 1.0 1.0 2.46 381 229 A 22 ARG HE A 22 ARG HBx 1.0 1.0 4.20 382 229 A 22 ARG HBy A 22 ARG HE 1.0 1.0 4.20 383 230 A 23 THR H A 22 ARG HBx 1.0 1.0 3.15 384 230 A 23 THR H A 22 ARG HBy 1.0 1.0 3.15 385 231 A 24 GLY H A 22 ARG HBx 1.0 1.0 3.17 386 231 A 24 GLY H A 22 ARG HBy 1.0 1.0 3.17 387 232 A 22 ARG HBx A 40 CYS HBx 1.0 1.0 3.64 388 232 A 22 ARG HBy A 40 CYS HBx 1.0 1.0 3.64 389 232 A 40 CYS HBy A 22 ARG HBx 1.0 1.0 3.64 390 232 A 22 ARG HBy A 40 CYS HBy 1.0 1.0 3.64 391 233 A 41 SER H A 22 ARG HBx 1.0 1.0 5.26 392 233 A 41 SER H A 22 ARG HBy 1.0 1.0 5.26 393 234 A 22 ARG HGy A 22 ARG HDx 1.0 1.0 2.27 394 234 A 22 ARG HDy A 22 ARG HGx 1.0 1.0 2.27 395 234 A 22 ARG HDx A 22 ARG HGx 1.0 1.0 2.27 396 234 A 22 ARG HGy A 22 ARG HDy 1.0 1.0 2.27 397 235 A 22 ARG HGy A 22 ARG HE 1.0 1.0 3.41 398 235 A 22 ARG HE A 22 ARG HGx 1.0 1.0 3.41 399 236 A 22 ARG HGy A 23 THR H 1.0 1.0 5.34 400 236 A 23 THR H A 22 ARG HGx 1.0 1.0 5.34 401 237 A 22 ARG HGy A 40 CYS HBx 1.0 1.0 2.72 402 237 A 22 ARG HGx A 40 CYS HBx 1.0 1.0 2.72 403 237 A 22 ARG HGy A 40 CYS HBy 1.0 1.0 2.72 404 237 A 40 CYS HBy A 22 ARG HGx 1.0 1.0 2.72 405 238 A 22 ARG HGy A 41 SER H 1.0 1.0 5.34 406 238 A 41 SER H A 22 ARG HGx 1.0 1.0 5.34 407 239 A 22 ARG HGy A 42 PHE HE% 1.0 1.0 5.61 408 239 A 42 PHE HE% A 22 ARG HGx 1.0 1.0 5.61 409 240 A 22 ARG HDy A 22 ARG HE 1.0 1.0 2.45 410 240 A 22 ARG HE A 22 ARG HDx 1.0 1.0 2.45 411 241 A 22 ARG HE A 40 CYS HBx 1.0 1.0 3.46 412 241 A 22 ARG HE A 40 CYS HBy 1.0 1.0 3.46 413 242 A 24 GLY H A 24 GLY HAx 1.0 1.0 2.46 414 242 A 24 GLY H A 24 GLY HAy 1.0 1.0 2.46 415 243 A 25 GLY H A 24 GLY HAx 1.0 1.0 2.51 416 243 A 25 GLY H A 24 GLY HAy 1.0 1.0 2.51 417 244 A 26 TYR H A 25 GLY HAx 1.0 1.0 2.48 418 244 A 25 GLY HAy A 26 TYR H 1.0 1.0 2.48 419 245 A 26 TYR HD% A 25 GLY HAx 1.0 1.0 4.52 420 245 A 25 GLY HAy A 26 TYR HD% 1.0 1.0 4.52 421 246 A 41 SER H A 25 GLY HAx 1.0 1.0 3.56 422 246 A 25 GLY HAy A 41 SER H 1.0 1.0 3.56 423 247 A 25 GLY HAy A 41 SER HBx 1.0 1.0 4.09 424 247 A 25 GLY HAx A 41 SER HBx 1.0 1.0 4.09 425 247 A 41 SER HBy A 25 GLY HAx 1.0 1.0 4.09 426 247 A 25 GLY HAy A 41 SER HBy 1.0 1.0 4.09 427 248 A 26 TYR H A 26 TYR HBx 1.0 1.0 3.18 428 248 A 26 TYR H A 26 TYR HBy 1.0 1.0 3.18 429 249 A 26 TYR H A 41 SER HBx 1.0 1.0 3.97 430 249 A 26 TYR H A 41 SER HBy 1.0 1.0 3.97 431 250 A 27 CYS H A 26 TYR HBx 1.0 1.0 2.57 432 250 A 27 CYS H A 26 TYR HBy 1.0 1.0 2.57 433 251 A 26 TYR HD% A 41 SER HBx 1.0 1.0 6.26 434 251 A 26 TYR HD% A 41 SER HBy 1.0 1.0 6.26 435 252 A 26 TYR HE% A 41 SER HBx 1.0 1.0 5.89 436 252 A 26 TYR HE% A 41 SER HBy 1.0 1.0 5.89 437 253 A 27 CYS H A 27 CYS HBx 1.0 1.0 2.77 438 253 A 27 CYS H A 27 CYS HBy 1.0 1.0 2.77 439 254 A 28 ALA HA A 35 HIS HBx 1.0 1.0 2.87 440 254 A 28 ALA HA A 35 HIS HBy 1.0 1.0 2.87 441 255 A 29 GLY H A 29 GLY HAx 1.0 1.0 2.67 442 255 A 29 GLY H A 29 GLY HAy 1.0 1.0 2.67 443 256 A 29 GLY H A 30 PRO HDx 1.0 1.0 5.35 444 256 A 29 GLY H A 30 PRO HDy 1.0 1.0 5.35 445 257 A 29 GLY HAx A 30 PRO HDx 1.0 1.0 2.22 446 257 A 29 GLY HAy A 30 PRO HDx 1.0 1.0 2.22 447 257 A 30 PRO HDy A 29 GLY HAx 1.0 1.0 2.22 448 257 A 29 GLY HAy A 30 PRO HDy 1.0 1.0 2.22 449 258 A 37 THR H A 29 GLY HAx 1.0 1.0 3.47 450 258 A 37 THR H A 29 GLY HAy 1.0 1.0 3.47 451 259 A 37 THR HB A 29 GLY HAx 1.0 1.0 2.39 452 259 A 37 THR HB A 29 GLY HAy 1.0 1.0 2.39 453 260 A 31 TRP H A 30 PRO HBx 1.0 1.0 3.86 454 260 A 31 TRP H A 30 PRO HBy 1.0 1.0 3.86 455 261 A 32 TYR HD% A 30 PRO HBx 1.0 1.0 6.80 456 261 A 32 TYR HD% A 30 PRO HBy 1.0 1.0 6.80 457 262 A 32 TYR HE% A 30 PRO HBx 1.0 1.0 5.97 458 262 A 32 TYR HE% A 30 PRO HBy 1.0 1.0 5.97 459 263 A 31 TRP H A 31 TRP HBx 1.0 1.0 2.75 460 263 A 31 TRP H A 31 TRP HBy 1.0 1.0 2.75 461 264 A 31 TRP HE3 A 31 TRP HBx 1.0 1.0 3.55 462 264 A 31 TRP HE1 A 31 TRP HBx 1.0 1.0 3.55 463 264 A 31 TRP HBy A 31 TRP HE3 1.0 1.0 3.55 464 264 A 31 TRP HE1 A 31 TRP HBy 1.0 1.0 3.55 465 265 A 32 TYR H A 32 TYR HBy 1.0 1.0 3.41 466 265 A 32 TYR H A 32 TYR HBx 1.0 1.0 3.41 467 266 A 32 TYR HD% A 33 LEU HDx% 1.0 1.0 6.41 468 266 A 32 TYR HD% A 33 LEU HDy% 1.0 1.0 6.41 469 267 A 32 TYR HE% A 33 LEU HDx% 1.0 1.0 6.30 470 267 A 32 TYR HE% A 33 LEU HDy% 1.0 1.0 6.30 471 268 A 33 LEU HA A 33 LEU HBx 1.0 1.0 2.43 472 268 A 33 LEU HA A 33 LEU HBy 1.0 1.0 2.43 473 269 A 33 LEU HA A 33 LEU HDx% 1.0 1.0 3.36 474 269 A 33 LEU HA A 33 LEU HDy% 1.0 1.0 3.36 475 270 A 33 LEU HBy A 36 PRO HDx 1.0 1.0 3.42 476 270 A 33 LEU HBx A 36 PRO HDx 1.0 1.0 3.42 477 270 A 36 PRO HDy A 33 LEU HBx 1.0 1.0 3.42 478 270 A 33 LEU HBy A 36 PRO HDy 1.0 1.0 3.42 479 271 A 34 GLY H A 34 GLY HAx 1.0 1.0 2.37 480 271 A 34 GLY H A 34 GLY HAy 1.0 1.0 2.37 481 272 A 35 HIS H A 34 GLY HAx 1.0 1.0 3.03 482 272 A 34 GLY HAy A 35 HIS H 1.0 1.0 3.03 483 273 A 35 HIS H A 36 PRO HDx 1.0 1.0 2.95 484 273 A 36 PRO HDy A 35 HIS H 1.0 1.0 2.95 485 274 A 35 HIS HA A 35 HIS HBx 1.0 1.0 2.43 486 274 A 35 HIS HA A 35 HIS HBy 1.0 1.0 2.43 487 275 A 37 THR H A 36 PRO HDx 1.0 1.0 4.32 488 275 A 37 THR H A 36 PRO HDy 1.0 1.0 4.32 489 276 A 38 CYS H A 38 CYS HBx 1.0 1.0 2.39 490 276 A 38 CYS H A 38 CYS HBy 1.0 1.0 2.39 491 277 A 39 THR H A 38 CYS HBx 1.0 1.0 3.81 492 277 A 39 THR H A 38 CYS HBy 1.0 1.0 3.81 493 278 A 40 CYS H A 40 CYS HBx 1.0 1.0 2.56 494 278 A 40 CYS H A 40 CYS HBy 1.0 1.0 2.56 495 279 A 40 CYS HA A 40 CYS HBx 1.0 1.0 2.45 496 279 A 40 CYS HA A 40 CYS HBy 1.0 1.0 2.45 497 280 A 41 SER H A 40 CYS HBx 1.0 1.0 2.75 498 280 A 41 SER H A 40 CYS HBy 1.0 1.0 2.75 499 281 A 42 PHE HD% A 40 CYS HBx 1.0 1.0 5.10 500 281 A 42 PHE HD% A 40 CYS HBy 1.0 1.0 5.10 501 282 A 42 PHE HE% A 40 CYS HBx 1.0 1.0 6.69 502 282 A 42 PHE HE% A 40 CYS HBy 1.0 1.0 6.69 503 283 A 42 PHE HZ A 40 CYS HBx 1.0 1.0 5.34 504 283 A 42 PHE HZ A 40 CYS HBy 1.0 1.0 5.34 505 284 A 41 SER H A 41 SER HBx 1.0 1.0 2.85 506 284 A 41 SER H A 41 SER HBy 1.0 1.0 2.85 507 285 A 42 PHE H A 42 PHE HBx 1.0 1.0 2.98 508 285 A 42 PHE H A 42 PHE HBy 1.0 1.0 2.98 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 5 PRO N A 5 PRO CA A 5 PRO C A 6 GLY N 1.0 124.0 184.0 PSI 2 2 A 6 GLY C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -131.0 -71.0 PHI 3 3 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 ALA N 1.0 78.0 138.0 PSI 4 4 A 7 ASP C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -91.0 -31.0 PHI 5 5 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 TYR N 1.0 -58.0 2.0 PSI 6 6 A 8 ALA C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -96.0 -36.0 PHI 7 7 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 GLN N 1.0 -71.0 -11.0 PSI 8 8 A 9 TYR C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -94.0 -34.0 PHI 9 9 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 CYS N 1.0 -66.0 -6.0 PSI 10 10 A 11 CYS C A 12 SER N A 12 SER CA A 12 SER C 1.0 -92.0 -32.0 PHI 11 11 A 12 SER N A 12 SER CA A 12 SER C A 13 GLU N 1.0 -74.0 -14.0 PSI 12 12 A 12 SER C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -94.0 -34.0 PHI 13 13 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 HIS N 1.0 -72.0 -12.0 PSI 14 14 A 15 CYS C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -87.0 -27.0 PHI 15 15 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ALA N 1.0 -73.0 -13.0 PSI 16 16 A 16 ARG C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -94.0 -34.0 PHI 17 17 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 LEU N 1.0 -71.0 -11.0 PSI 18 18 A 17 ALA C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -101.0 -41.0 PHI 19 19 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 GLY N 1.0 -56.0 4.0 PSI 20 20 A 26 TYR C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -146.0 -86.0 PHI 21 21 A 27 CYS N A 27 CYS CA A 27 CYS C A 28 ALA N 1.0 104.0 164.0 PSI 22 22 A 30 PRO C A 31 TRP N A 31 TRP CA A 31 TRP C 1.0 -87.0 -27.0 PHI 23 23 A 31 TRP N A 31 TRP CA A 31 TRP C A 32 TYR N 1.0 -63.0 -3.0 PSI 24 24 A 36 PRO C A 37 THR N A 37 THR CA A 37 THR C 1.0 -136.0 -76.0 PHI 25 25 A 37 THR N A 37 THR CA A 37 THR C A 38 CYS N 1.0 85.0 145.0 PSI 26 26 A 37 THR C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -141.0 -81.0 PHI 27 27 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 THR N 1.0 93.0 153.0 PSI 28 28 A 38 CYS C A 39 THR N A 39 THR CA A 39 THR C 1.0 -139.0 -79.0 PHI 29 29 A 39 THR N A 39 THR CA A 39 THR C A 40 CYS N 1.0 99.0 159.0 PSI 30 30 A 39 THR C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -161.0 -101.0 PHI 31 31 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 SER N 1.0 120.0 180.0 PSI 32 32 A 40 CYS C A 41 SER N A 41 SER CA A 41 SER C 1.0 -150.0 -90.0 PHI 33 33 A 41 SER N A 41 SER CA A 41 SER C A 42 PHE N 1.0 107.0 167.0 PSI 34 34 A 41 SER N A 41 SER CA A 41 SER C A 42 PHE N 1.0 107.0 167.0 PSI stop_ save_