data_nef_c25775_2n6o 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 Arachno AS000224 PDB 2N60 SP P60992 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 CYS SG 1 16 CYS SG 1 9 CYS SG 1 21 CYS SG 1 15 CYS SG 1 28 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 GLU start . . 2 A 2 CYS middle -HG . 3 A 3 ARG middle . . 4 A 4 TYR middle . . 5 A 5 LEU middle . . 6 A 6 PHE middle . . 7 A 7 GLY middle . false 8 A 8 GLY middle . false 9 A 9 CYS middle -HG . 10 A 10 SER middle . . 11 A 11 SER middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 ASP middle . . 15 A 15 CYS middle -HG . 16 A 16 CYS middle -HG . 17 A 17 LYS middle . . 18 A 18 HIS middle . . 19 A 19 LEU middle . . 20 A 20 SER middle . . 21 A 21 CYS middle -HG . 22 A 22 ARG middle . . 23 A 23 SER middle . . 24 A 24 ASP middle . . 25 A 25 TRP middle . . 26 A 26 LYS middle . . 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 ALA middle . . 30 A 30 TRP middle . . 31 A 31 ASP middle . . 32 A 32 GLY middle . false 33 A 33 THR middle . . 34 A 34 PHE middle . . 35 A 35 SER 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 GLU HA H 1 4.144 0.02 A 1 GLU HB2 H 1 2.184 0.02 A 1 GLU HB3 H 1 2.184 0.02 A 1 GLU HG2 H 1 2.616 0.02 A 1 GLU HG3 H 1 2.616 0.02 A 1 GLU CA C 13 55.071 0.3 A 1 GLU CB C 13 29.047 0.3 A 1 GLU CG C 13 32.510 0.3 A 2 CYS H H 1 8.654 0.02 A 2 CYS HA H 1 4.658 0.02 A 2 CYS HBx H 1 2.814 0.02 A 2 CYS HBy H 1 3.097 0.02 A 2 CYS CA C 13 54.925 0.3 A 2 CYS CB C 13 41.735 0.3 A 2 CYS N N 15 120.899 0.2 A 3 ARG H H 1 8.889 0.02 A 3 ARG HA H 1 4.429 0.02 A 3 ARG HBx H 1 1.671 0.02 A 3 ARG HBy H 1 2.011 0.02 A 3 ARG HDy H 1 3.250 0.02 A 3 ARG HDx H 1 3.220 0.02 A 3 ARG HE H 1 7.228 0.02 A 3 ARG HGy H 1 1.970 0.02 A 3 ARG HGx H 1 1.769 0.02 A 3 ARG CA C 13 55.196 0.3 A 3 ARG CB C 13 31.600 0.3 A 3 ARG CD C 13 43.194 0.3 A 3 ARG CG C 13 27.228 0.3 A 3 ARG N N 15 120.390 0.2 A 3 ARG NE N 15 85.900 0.2 A 4 TYR H H 1 8.224 0.02 A 4 TYR HA H 1 4.250 0.02 A 4 TYR HBy H 1 3.155 0.02 A 4 TYR HBx H 1 2.913 0.02 A 4 TYR HD1 H 1 7.149 0.02 A 4 TYR HD2 H 1 7.149 0.02 A 4 TYR HE1 H 1 6.924 0.02 A 4 TYR HE2 H 1 6.924 0.02 A 4 TYR CA C 13 55.999 0.3 A 4 TYR CB C 13 39.026 0.3 A 4 TYR CD1 C 13 133.028 0.3 A 4 TYR CE2 C 13 118.944 0.3 A 4 TYR N N 15 122.181 0.2 A 5 LEU H H 1 6.651 0.02 A 5 LEU HA H 1 3.367 0.02 A 5 LEU HBy H 1 1.156 0.02 A 5 LEU HBx H 1 0.699 0.02 A 5 LEU HD1% H 1 0.182 0.02 A 5 LEU HD2% H 1 0.307 0.02 A 5 LEU HG H 1 0.549 0.02 A 5 LEU CA C 13 56.665 0.3 A 5 LEU CB C 13 42.253 0.3 A 5 LEU CD1 C 13 25.557 0.3 A 5 LEU CD2 C 13 23.198 0.3 A 5 LEU CG C 13 26.879 0.3 A 5 LEU N N 15 121.370 0.2 A 6 PHE H H 1 8.869 0.02 A 6 PHE HA H 1 3.768 0.02 A 6 PHE HBy H 1 3.386 0.02 A 6 PHE HBx H 1 3.100 0.02 A 6 PHE HD1 H 1 6.647 0.02 A 6 PHE HD2 H 1 6.647 0.02 A 6 PHE HE1 H 1 7.223 0.02 A 6 PHE HE2 H 1 7.223 0.02 A 6 PHE HZ H 1 7.150 0.02 A 6 PHE CA C 13 60.279 0.3 A 6 PHE CB C 13 36.071 0.3 A 6 PHE CD2 C 13 131.139 0.3 A 6 PHE CE1 C 13 131.288 0.3 A 6 PHE CZ C 13 129.814 0.3 A 6 PHE N N 15 117.688 0.2 A 7 GLY H H 1 9.113 0.02 A 7 GLY HAy H 1 4.181 0.02 A 7 GLY HAx H 1 3.473 0.02 A 7 GLY CA C 13 45.380 0.3 A 7 GLY N N 15 110.878 0.2 A 8 GLY H H 1 8.729 0.02 A 8 GLY HAx H 1 3.779 0.02 A 8 GLY HAy H 1 4.470 0.02 A 8 GLY CA C 13 46.075 0.3 A 8 GLY N N 15 111.369 0.2 A 9 CYS H H 1 7.894 0.02 A 9 CYS HA H 1 4.948 0.02 A 9 CYS HB2 H 1 3.202 0.02 A 9 CYS HB3 H 1 3.202 0.02 A 9 CYS CA C 13 53.667 0.3 A 9 CYS CB C 13 47.288 0.3 A 9 CYS N N 15 115.842 0.2 A 10 SER H H 1 8.986 0.02 A 10 SER HA H 1 4.591 0.02 A 10 SER HBy H 1 3.899 0.02 A 10 SER HBx H 1 3.861 0.02 A 10 SER CA C 13 58.794 0.3 A 10 SER CB C 13 64.468 0.3 A 10 SER N N 15 113.651 0.2 A 11 SER H H 1 8.009 0.02 A 11 SER HA H 1 4.668 0.02 A 11 SER HBx H 1 3.798 0.02 A 11 SER HBy H 1 4.024 0.02 A 11 SER CA C 13 56.868 0.3 A 11 SER CB C 13 65.742 0.3 A 11 SER N N 15 115.967 0.2 A 12 THR H H 1 9.412 0.02 A 12 THR HA H 1 3.808 0.02 A 12 THR HB H 1 4.258 0.02 A 12 THR HG2% H 1 1.379 0.02 A 12 THR CA C 13 67.368 0.3 A 12 THR CB C 13 69.100 0.3 A 12 THR CG2 C 13 23.651 0.3 A 12 THR N N 15 123.963 0.2 A 13 SER H H 1 8.728 0.02 A 13 SER HA H 1 4.012 0.02 A 13 SER HB2 H 1 3.852 0.02 A 13 SER HB3 H 1 3.852 0.02 A 13 SER CA C 13 60.968 0.3 A 13 SER CB C 13 62.880 0.3 A 13 SER N N 15 121.263 0.2 A 14 ASP H H 1 8.619 0.02 A 14 ASP HA H 1 4.237 0.02 A 14 ASP HBy H 1 2.546 0.02 A 14 ASP HBx H 1 2.347 0.02 A 14 ASP CA C 13 54.990 0.3 A 14 ASP CB C 13 37.416 0.3 A 14 ASP N N 15 118.050 0.2 A 15 CYS H H 1 8.058 0.02 A 15 CYS HA H 1 5.121 0.02 A 15 CYS HBy H 1 3.138 0.02 A 15 CYS HBx H 1 2.866 0.02 A 15 CYS CA C 13 53.598 0.3 A 15 CYS CB C 13 40.960 0.3 A 15 CYS N N 15 117.779 0.2 A 16 CYS H H 1 9.093 0.02 A 16 CYS HA H 1 4.580 0.02 A 16 CYS HBy H 1 3.378 0.02 A 16 CYS HBx H 1 2.264 0.02 A 16 CYS CA C 13 53.616 0.3 A 16 CYS CB C 13 39.385 0.3 A 16 CYS N N 15 120.718 0.2 A 17 LYS H H 1 7.907 0.02 A 17 LYS HA H 1 3.939 0.02 A 17 LYS HBy H 1 1.651 0.02 A 17 LYS HBx H 1 1.451 0.02 A 17 LYS HD2 H 1 1.576 0.02 A 17 LYS HD3 H 1 1.576 0.02 A 17 LYS HEx H 1 2.894 0.02 A 17 LYS HEy H 1 2.909 0.02 A 17 LYS HGy H 1 1.227 0.02 A 17 LYS HGx H 1 1.000 0.02 A 17 LYS CA C 13 58.078 0.3 A 17 LYS CB C 13 32.479 0.3 A 17 LYS CD C 13 29.111 0.3 A 17 LYS CE C 13 41.949 0.3 A 17 LYS CG C 13 24.545 0.3 A 17 LYS N N 15 117.710 0.2 A 18 HIS H H 1 8.578 0.02 A 18 HIS HA H 1 4.200 0.02 A 18 HIS HBy H 1 3.867 0.02 A 18 HIS HBx H 1 3.469 0.02 A 18 HIS HD2 H 1 7.212 0.02 A 18 HIS HE1 H 1 8.606 0.02 A 18 HIS CA C 13 57.848 0.3 A 18 HIS CB C 13 26.901 0.3 A 18 HIS CD2 C 13 119.695 0.3 A 18 HIS CE1 C 13 136.313 0.3 A 18 HIS N N 15 112.192 0.2 A 19 LEU H H 1 7.894 0.02 A 19 LEU HA H 1 5.056 0.02 A 19 LEU HBy H 1 2.019 0.02 A 19 LEU HBx H 1 1.078 0.02 A 19 LEU HD1% H 1 0.551 0.02 A 19 LEU HD2% H 1 -0.061 0.02 A 19 LEU HG H 1 1.240 0.02 A 19 LEU CA C 13 54.039 0.3 A 19 LEU CB C 13 44.366 0.3 A 19 LEU CD1 C 13 25.898 0.3 A 19 LEU CD2 C 13 24.837 0.3 A 19 LEU CG C 13 27.072 0.3 A 19 LEU N N 15 118.755 0.2 A 20 SER H H 1 9.339 0.02 A 20 SER HA H 1 4.848 0.02 A 20 SER HB2 H 1 3.767 0.02 A 20 SER HB3 H 1 3.767 0.02 A 20 SER CA C 13 56.143 0.3 A 20 SER CB C 13 65.870 0.3 A 20 SER N N 15 113.497 0.2 A 21 CYS H H 1 8.700 0.02 A 21 CYS HA H 1 4.638 0.02 A 21 CYS HBy H 1 2.801 0.02 A 21 CYS HBx H 1 2.462 0.02 A 21 CYS CA C 13 53.379 0.3 A 21 CYS CB C 13 41.159 0.3 A 21 CYS N N 15 123.504 0.2 A 22 ARG H H 1 8.425 0.02 A 22 ARG HA H 1 4.184 0.02 A 22 ARG HBy H 1 1.786 0.02 A 22 ARG HBx H 1 1.505 0.02 A 22 ARG HDy H 1 2.807 0.02 A 22 ARG HDx H 1 2.600 0.02 A 22 ARG HE H 1 7.703 0.02 A 22 ARG HGy H 1 1.479 0.02 A 22 ARG HGx H 1 1.406 0.02 A 22 ARG CA C 13 56.079 0.3 A 22 ARG CB C 13 30.375 0.3 A 22 ARG CD C 13 42.800 0.3 A 22 ARG CG C 13 26.783 0.3 A 22 ARG N N 15 131.352 0.2 A 22 ARG NE N 15 84.070 0.2 A 23 SER H H 1 8.191 0.02 A 23 SER HA H 1 4.259 0.02 A 23 SER HBx H 1 3.848 0.02 A 23 SER HBy H 1 3.886 0.02 A 23 SER CA C 13 60.879 0.3 A 23 SER CB C 13 63.926 0.3 A 23 SER N N 15 116.579 0.2 A 24 ASP H H 1 7.746 0.02 A 24 ASP HA H 1 4.591 0.02 A 24 ASP HBy H 1 2.940 0.02 A 24 ASP HBx H 1 2.904 0.02 A 24 ASP CA C 13 55.687 0.3 A 24 ASP CB C 13 39.538 0.3 A 24 ASP N N 15 118.399 0.2 A 25 TRP H H 1 7.962 0.02 A 25 TRP HA H 1 4.671 0.02 A 25 TRP HBy H 1 3.182 0.02 A 25 TRP HBx H 1 2.300 0.02 A 25 TRP HD1 H 1 7.002 0.02 A 25 TRP HE1 H 1 10.067 0.02 A 25 TRP HE3 H 1 7.528 0.02 A 25 TRP HH2 H 1 7.247 0.02 A 25 TRP HZ2 H 1 7.470 0.02 A 25 TRP HZ3 H 1 7.143 0.02 A 25 TRP CA C 13 54.658 0.3 A 25 TRP CB C 13 31.044 0.3 A 25 TRP CD1 C 13 126.088 0.3 A 25 TRP CE3 C 13 120.980 0.3 A 25 TRP CH2 C 13 124.746 0.3 A 25 TRP CZ2 C 13 114.596 0.3 A 25 TRP CZ3 C 13 121.895 0.3 A 25 TRP N N 15 120.253 0.2 A 25 TRP NE1 N 15 128.723 0.2 A 26 LYS H H 1 8.161 0.02 A 26 LYS HA H 1 3.910 0.02 A 26 LYS HBy H 1 2.274 0.02 A 26 LYS HBx H 1 2.080 0.02 A 26 LYS HDy H 1 1.700 0.02 A 26 LYS HDx H 1 1.651 0.02 A 26 LYS HE2 H 1 3.031 0.02 A 26 LYS HE3 H 1 3.031 0.02 A 26 LYS HGx H 1 1.296 0.02 A 26 LYS HGy H 1 1.327 0.02 A 26 LYS CA C 13 56.647 0.3 A 26 LYS CB C 13 27.985 0.3 A 26 LYS CD C 13 28.731 0.3 A 26 LYS CE C 13 42.468 0.3 A 26 LYS CG C 13 24.565 0.3 A 26 LYS N N 15 114.205 0.2 A 27 TYR H H 1 6.879 0.02 A 27 TYR HA H 1 5.522 0.02 A 27 TYR HBx H 1 2.643 0.02 A 27 TYR HBy H 1 2.793 0.02 A 27 TYR HD1 H 1 6.936 0.02 A 27 TYR HD2 H 1 6.936 0.02 A 27 TYR HE1 H 1 6.621 0.02 A 27 TYR HE2 H 1 6.621 0.02 A 27 TYR CA C 13 55.854 0.3 A 27 TYR CB C 13 41.270 0.3 A 27 TYR CD2 C 13 133.897 0.3 A 27 TYR CE2 C 13 118.030 0.3 A 27 TYR N N 15 111.730 0.2 A 28 CYS H H 1 8.916 0.02 A 28 CYS HA H 1 4.863 0.02 A 28 CYS HBx H 1 2.520 0.02 A 28 CYS HBy H 1 2.996 0.02 A 28 CYS CA C 13 55.737 0.3 A 28 CYS CB C 13 41.013 0.3 A 28 CYS N N 15 119.698 0.2 A 29 ALA H H 1 9.484 0.02 A 29 ALA HA H 1 4.644 0.02 A 29 ALA HB% H 1 1.484 0.02 A 29 ALA CA C 13 50.518 0.3 A 29 ALA CB C 13 23.048 0.3 A 29 ALA N N 15 128.521 0.2 A 30 TRP H H 1 7.950 0.02 A 30 TRP HA H 1 4.746 0.02 A 30 TRP HBy H 1 3.411 0.02 A 30 TRP HBx H 1 3.099 0.02 A 30 TRP HD1 H 1 7.290 0.02 A 30 TRP HE1 H 1 10.115 0.02 A 30 TRP HE3 H 1 7.680 0.02 A 30 TRP HH2 H 1 7.209 0.02 A 30 TRP HZ2 H 1 7.330 0.02 A 30 TRP HZ3 H 1 7.088 0.02 A 30 TRP CB C 13 29.998 0.3 A 30 TRP CD1 C 13 127.698 0.3 A 30 TRP CE3 C 13 121.371 0.3 A 30 TRP CH2 C 13 124.662 0.3 A 30 TRP CZ2 C 13 114.523 0.3 A 30 TRP CZ3 C 13 121.913 0.3 A 30 TRP N N 15 120.346 0.2 A 30 TRP NE1 N 15 129.652 0.2 A 31 ASP H H 1 8.669 0.02 A 31 ASP HA H 1 4.642 0.02 A 31 ASP HBx H 1 2.723 0.02 A 31 ASP HBy H 1 2.753 0.02 A 31 ASP CA C 13 55.142 0.3 A 31 ASP CB C 13 38.948 0.3 A 31 ASP N N 15 123.675 0.2 A 32 GLY H H 1 7.944 0.02 A 32 GLY HAx H 1 3.645 0.02 A 32 GLY HAy H 1 3.965 0.02 A 32 GLY CA C 13 45.546 0.3 A 32 GLY N N 15 109.050 0.2 A 33 THR H H 1 7.944 0.02 A 33 THR HA H 1 4.316 0.02 A 33 THR HB H 1 4.237 0.02 A 33 THR HG2% H 1 1.120 0.02 A 33 THR CA C 13 62.025 0.3 A 33 THR CB C 13 69.946 0.3 A 33 THR CG2 C 13 21.585 0.3 A 33 THR N N 15 112.503 0.2 A 34 PHE H H 1 8.067 0.02 A 34 PHE HA H 1 4.624 0.02 A 34 PHE HBx H 1 2.927 0.02 A 34 PHE HBy H 1 3.050 0.02 A 34 PHE HD1 H 1 7.132 0.02 A 34 PHE HD2 H 1 7.132 0.02 A 34 PHE HE1 H 1 7.212 0.02 A 34 PHE HE2 H 1 7.212 0.02 A 34 PHE HZ H 1 7.226 0.02 A 34 PHE CA C 13 57.395 0.3 A 34 PHE CB C 13 40.002 0.3 A 34 PHE CD1 C 13 132.136 0.3 A 34 PHE CE1 C 13 131.292 0.3 A 34 PHE CZ C 13 129.526 0.3 A 34 PHE N N 15 121.576 0.2 A 35 SER H H 1 8.047 0.02 A 35 SER HA H 1 4.223 0.02 A 35 SER HBx H 1 3.754 0.02 A 35 SER HBy H 1 3.825 0.02 A 35 SER CA C 13 58.518 0.3 A 35 SER CB C 13 64.283 0.3 A 35 SER N N 15 119.305 0.2 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 LEU HD2% A 6 PHE H 1.0 . 3.72 2 2 A 6 PHE H A 5 LEU HD1% 1.0 . 4.84 3 3 A 6 PHE H A 19 LEU HD2% 1.0 . 4.92 4 4 A 19 LEU HD2% A 31 ASP H 1.0 . 4.33 5 5 A 6 PHE H A 5 LEU HBy 1.0 . 4.66 6 6 A 2 CYS H A 1 GLU HB2 1.0 . 3.93 7 6 A 1 GLU HB3 A 2 CYS H 1.0 . 3.93 8 7 A 22 ARG H A 22 ARG HBx 1.0 . 4.00 9 8 A 22 ARG H A 22 ARG HBy 1.0 . 3.40 10 9 A 18 HIS H A 17 LYS HBx 1.0 . 4.58 11 10 A 12 THR HG2% A 21 CYS H 1.0 . 3.89 12 11 A 18 HIS H A 19 LEU HG 1.0 . 4.62 13 12 A 16 CYS H A 16 CYS HBx 1.0 . 3.85 14 13 A 3 ARG HBy A 7 GLY H 1.0 . 4.26 15 14 A 3 ARG HBy A 3 ARG H 1.0 . 3.96 16 15 A 3 ARG H A 3 ARG HGx 1.0 . 3.83 17 16 A 3 ARG H A 3 ARG HBx 1.0 . 4.07 18 17 A 5 LEU HD2% A 30 TRP H 1.0 . 4.04 19 18 A 19 LEU HD2% A 30 TRP HE3 1.0 . 3.81 20 19 A 19 LEU HD2% A 30 TRP H 1.0 . 4.54 21 20 A 19 LEU HD2% A 19 LEU H 1.0 . 4.51 22 21 A 25 TRP HBy A 27 TYR HE% 1.0 . 4.33 23 22 A 27 TYR HE% A 29 ALA HB% 1.0 . 4.71 24 23 A 5 LEU H A 5 LEU HBx 1.0 . 3.61 25 24 A 5 LEU HBx A 6 PHE HD% 1.0 . 4.09 26 25 A 5 LEU HBy A 5 LEU H 1.0 . 3.28 27 26 A 5 LEU H A 19 LEU HD1% 1.0 . 3.64 28 27 A 5 LEU HD2% A 6 PHE HD% 1.0 . 4.00 29 28 A 5 LEU HD2% A 27 TYR HE% 1.0 . 4.51 30 29 A 5 LEU HD1% A 5 LEU H 1.0 . 4.61 31 30 A 5 LEU HD1% A 6 PHE HD% 1.0 . 5.09 32 31 A 19 LEU HD2% A 5 LEU H 1.0 . 4.25 33 32 A 25 TRP HBy A 27 TYR HD% 1.0 . 4.26 34 33 A 25 TRP HBy A 27 TYR H 1.0 . 4.65 35 34 A 22 ARG HBx A 25 TRP HD1 1.0 . 5.50 36 35 A 22 ARG HBx A 27 TYR H 1.0 . 5.43 37 36 A 22 ARG HBy A 27 TYR H 1.0 . 4.30 38 37 A 29 ALA HB% A 27 TYR HD% 1.0 . 5.28 39 38 A 27 TYR HD% A 5 LEU HG 1.0 . 5.50 40 39 A 5 LEU HD2% A 27 TYR HD% 1.0 . 4.62 41 40 A 29 ALA HB% A 34 PHE HD% 1.0 . 4.05 42 41 A 19 LEU HG A 30 TRP HZ3 1.0 . 4.67 43 42 A 19 LEU HG A 30 TRP HH2 1.0 . 5.50 44 43 A 19 LEU HD1% A 30 TRP HZ2 1.0 . 5.50 45 44 A 19 LEU HD1% A 4 TYR HD% 1.0 . 4.61 46 45 A 5 LEU HD2% A 30 TRP HD1 1.0 . 4.57 47 46 A 5 LEU HD2% A 6 PHE HE% 1.0 . 4.01 48 47 A 5 LEU HD1% A 6 PHE HE% 1.0 . 4.52 49 48 A 19 LEU HD2% A 30 TRP HH2 1.0 . 4.48 50 49 A 19 LEU HD2% A 4 TYR HD% 1.0 . 5.50 51 50 A 19 LEU HD2% A 30 TRP HZ3 1.0 . 4.49 52 51 A 19 LEU HD2% A 30 TRP HD1 1.0 . 4.80 53 52 A 25 TRP HBy A 25 TRP H 1.0 . 3.83 54 53 A 25 TRP HBy A 25 TRP HE3 1.0 . 4.21 55 54 A 26 LYS H A 26 LYS HBy 1.0 . 4.03 56 55 A 19 LEU H A 19 LEU HBy 1.0 . 3.53 57 56 A 3 ARG HBy A 4 TYR H 1.0 . 4.39 58 57 A 22 ARG HBx A 26 LYS H 1.0 . 5.03 59 58 A 22 ARG HBx A 25 TRP H 1.0 . 4.54 60 59 A 22 ARG HBx A 22 ARG HE 1.0 . 4.01 61 60 A 3 ARG HBx A 4 TYR H 1.0 . 3.96 62 61 A 17 LYS H A 17 LYS HBy 1.0 . 3.68 63 62 A 22 ARG HBy A 26 LYS H 1.0 . 5.12 64 63 A 22 ARG HBy A 25 TRP H 1.0 . 3.97 65 64 A 22 ARG HBy A 22 ARG HE 1.0 . 4.16 66 65 A 12 THR HG2% A 23 SER H 1.0 . 5.34 67 66 A 19 LEU HG A 19 LEU H 1.0 . 3.57 68 67 A 19 LEU HG A 30 TRP HE3 1.0 . 4.33 69 68 A 19 LEU H A 19 LEU HBx 1.0 . 4.13 70 69 A 28 CYS H A 28 CYS HBx 1.0 . 3.56 71 70 A 6 PHE H A 28 CYS HBx 1.0 . 5.20 72 71 A 28 CYS H A 27 TYR HBx 1.0 . 3.65 73 72 A 28 CYS H A 28 CYS HBy 1.0 . 3.98 74 73 A 21 CYS H A 21 CYS HBx 1.0 . 3.63 75 74 A 21 CYS H A 20 SER HB2 1.0 . 3.57 76 74 A 21 CYS H A 20 SER HB3 1.0 . 3.57 77 75 A 8 GLY H A 9 CYS HB2 1.0 . 5.50 78 75 A 8 GLY H A 9 CYS HB3 1.0 . 5.50 79 76 A 28 CYS H A 27 TYR HA 1.0 . 3.26 80 77 A 16 CYS H A 15 CYS HA 1.0 . 3.23 81 78 A 3 ARG H A 15 CYS HA 1.0 . 3.78 82 79 A 9 CYS HA A 10 SER H 1.0 . 3.21 83 80 A 3 ARG H A 2 CYS HA 1.0 . 3.14 84 81 A 22 ARG H A 28 CYS HA 1.0 . 4.47 85 82 A 21 CYS H A 20 SER HA 1.0 . 3.30 86 83 A 31 ASP H A 30 TRP HA 1.0 . 3.49 87 84 A 22 ARG H A 21 CYS HA 1.0 . 3.25 88 85 A 8 GLY H A 7 GLY HAx 1.0 . 2.73 89 86 A 2 CYS H A 1 GLU HA 1.0 . 3.00 90 87 A 27 TYR HA A 9 CYS H 1.0 . 3.74 91 88 A 30 TRP HE3 A 19 LEU HA 1.0 . 4.86 92 89 A 30 TRP HA A 32 GLY H 1.0 . 5.50 93 90 A 30 TRP HE3 A 30 TRP HA 1.0 . 3.90 94 91 A 25 TRP HE3 A 25 TRP HA 1.0 . 4.39 95 92 A 30 TRP H A 29 ALA HA 1.0 . 3.25 96 93 A 17 LYS H A 16 CYS HA 1.0 . 3.40 97 94 A 9 CYS H A 8 GLY HAy 1.0 . 3.50 98 95 A 4 TYR H A 3 ARG HA 1.0 . 2.88 99 96 A 33 THR HA A 34 PHE H 1.0 . 3.40 100 97 A 34 PHE H A 33 THR HB 1.0 . 4.25 101 98 A 4 TYR H A 7 GLY HAy 1.0 . 5.37 102 99 A 17 LYS H A 16 CYS HBy 1.0 . 3.60 103 100 A 4 TYR H A 3 ARG HDy 1.0 . 5.02 104 101 A 25 TRP HE3 A 25 TRP HBx 1.0 . 4.21 105 102 A 27 TYR HD% A 27 TYR HA 1.0 . 4.36 106 103 A 30 TRP HD1 A 30 TRP HA 1.0 . 4.91 107 104 A 25 TRP HD1 A 25 TRP HA 1.0 . 3.98 108 105 A 27 TYR HE% A 29 ALA HA 1.0 . 4.47 109 106 A 34 PHE HD% A 34 PHE HA 1.0 . 4.08 110 107 A 4 TYR HD% A 3 ARG HA 1.0 . 5.06 111 108 A 4 TYR HD% A 4 TYR HA 1.0 . 3.71 112 109 A 27 TYR HD% A 6 PHE HA 1.0 . 4.37 113 110 A 30 TRP HZ3 A 18 HIS HBx 1.0 . 4.34 114 111 A 27 TYR HD% A 25 TRP HBx 1.0 . 4.01 115 112 A 27 TYR HE% A 25 TRP HBx 1.0 . 3.89 116 113 A 5 LEU H A 4 TYR HBy 1.0 . 3.26 117 114 A 34 PHE HE% A 30 TRP HBx 1.0 . 5.50 118 115 A 15 CYS H A 15 CYS HBy 1.0 . 3.49 119 116 A 27 TYR HE% A 22 ARG HDx 1.0 . 5.50 120 117 A 27 TYR HA A 8 GLY HAy 1.0 . 3.77 121 118 A 31 ASP H A 30 TRP HE3 1.0 . 4.67 122 119 A 31 ASP H A 32 GLY H 1.0 . 4.45 123 120 A 6 PHE H A 5 LEU H 1.0 . 4.58 124 121 A 6 PHE H A 6 PHE HD% 1.0 . 4.83 125 122 A 27 TYR HE% A 25 TRP HE3 1.0 . 4.56 126 123 A 22 ARG H A 27 TYR H 1.0 . 4.34 127 124 A 27 TYR H A 26 LYS H 1.0 . 3.93 128 125 A 31 ASP H A 30 TRP HD1 1.0 . 5.50 129 126 A 4 TYR HD% A 4 TYR H 1.0 . 4.16 130 127 A 25 TRP HD1 A 25 TRP H 1.0 . 4.86 131 128 A 23 SER H A 24 ASP H 1.0 . 3.85 132 129 A 8 GLY H A 9 CYS H 1.0 . 5.23 133 130 A 18 HIS H A 17 LYS H 1.0 . 3.73 134 131 A 18 HIS H A 19 LEU H 1.0 . 3.92 135 132 A 22 ARG H A 29 ALA H 1.0 . 5.38 136 133 A 21 CYS H A 12 THR H 1.0 . 5.25 137 134 A 22 ARG H A 21 CYS H 1.0 . 5.07 138 135 A 29 ALA H A 20 SER H 1.0 . 4.61 139 136 A 26 LYS H A 26 LYS HGx 1.0 . 3.77 140 137 A 26 LYS H A 26 LYS HGy 1.0 . 3.77 141 138 A 24 ASP H A 24 ASP HBx 1.0 . 3.61 142 139 A 9 CYS HA A 11 SER H 1.0 . 4.49 143 140 A 10 SER H A 10 SER HBy 1.0 . 4.08 144 141 A 17 LYS H A 17 LYS HD2 1.0 . 5.49 145 141 A 17 LYS H A 17 LYS HD3 1.0 . 5.49 146 142 A 3 ARG H A 3 ARG HDx 1.0 . 5.25 147 143 A 3 ARG H A 3 ARG HDy 1.0 . 5.49 148 144 A 3 ARG H A 3 ARG HGy 1.0 . 3.58 149 145 A 12 THR H A 12 THR HB 1.0 . 3.84 150 146 A 12 THR HG2% A 12 THR H 1.0 . 4.50 151 147 A 2 CYS H A 2 CYS HBx 1.0 . 4.05 152 148 A 2 CYS H A 2 CYS HBy 1.0 . 4.05 153 149 A 3 ARG HBy A 3 ARG HDy 1.0 . 4.00 154 150 A 3 ARG HBy A 3 ARG HDx 1.0 . 3.91 155 151 A 3 ARG HBx A 3 ARG HGy 1.0 . 3.00 156 152 A 3 ARG HBy A 3 ARG HGx 1.0 . 2.94 157 153 A 3 ARG HBx A 3 ARG HDx 1.0 . 3.91 158 154 A 3 ARG HBx A 3 ARG HDy 1.0 . 3.94 159 155 A 3 ARG HA A 3 ARG HDy 1.0 . 4.30 160 156 A 3 ARG HA A 3 ARG HDx 1.0 . 3.87 161 157 A 3 ARG HA A 3 ARG HGy 1.0 . 3.99 162 158 A 3 ARG HGx A 3 ARG HA 1.0 . 4.06 163 159 A 4 TYR H A 4 TYR HBx 1.0 . 3.46 164 160 A 4 TYR H A 4 TYR HBy 1.0 . 3.73 165 161 A 5 LEU HD1% A 5 LEU HA 1.0 . 3.98 166 162 A 5 LEU HD2% A 5 LEU HA 1.0 . 3.24 167 163 A 5 LEU HG A 5 LEU HA 1.0 . 3.47 168 164 A 19 LEU HD1% A 5 LEU HA 1.0 . 3.80 169 165 A 5 LEU HD2% A 5 LEU HBx 1.0 . 3.92 170 166 A 5 LEU HD1% A 5 LEU HBx 1.0 . 3.60 171 167 A 5 LEU HD2% A 5 LEU HBy 1.0 . 3.60 172 168 A 5 LEU HD1% A 5 LEU HBy 1.0 . 3.91 173 169 A 9 CYS H A 9 CYS HB2 1.0 . 4.05 174 169 A 9 CYS HB3 A 9 CYS H 1.0 . 4.05 175 170 A 9 CYS HA A 9 CYS HB2 1.0 . 3.02 176 170 A 9 CYS HB3 A 9 CYS HA 1.0 . 3.02 177 171 A 10 SER H A 10 SER HBx 1.0 . 4.08 178 172 A 12 THR HG2% A 12 THR HA 1.0 . 3.28 179 173 A 13 SER H A 13 SER HB2 1.0 . 3.35 180 173 A 13 SER H A 13 SER HB3 1.0 . 3.35 181 174 A 13 SER HA A 13 SER HB2 1.0 . 2.81 182 174 A 13 SER HB3 A 13 SER HA 1.0 . 2.81 183 175 A 16 CYS H A 16 CYS HBy 1.0 . 3.87 184 176 A 17 LYS H A 17 LYS HBx 1.0 . 3.68 185 177 A 17 LYS HA A 17 LYS HGx 1.0 . 4.18 186 178 A 17 LYS HA A 17 LYS HGy 1.0 . 4.18 187 179 A 17 LYS HA A 17 LYS HD2 1.0 . 4.28 188 179 A 17 LYS HD3 A 17 LYS HA 1.0 . 4.28 189 180 A 19 LEU HD1% A 17 LYS H 1.0 . 4.29 190 181 A 19 LEU HD1% A 19 LEU HA 1.0 . 4.72 191 182 A 19 LEU HG A 19 LEU HA 1.0 . 3.94 192 183 A 19 LEU HD1% A 19 LEU HBy 1.0 . 3.45 193 184 A 19 LEU HD2% A 19 LEU HBy 1.0 . 3.97 194 185 A 19 LEU HD2% A 19 LEU HBx 1.0 . 3.62 195 186 A 19 LEU HD1% A 19 LEU HBx 1.0 . 3.63 196 187 A 20 SER H A 20 SER HB2 1.0 . 3.91 197 187 A 20 SER HB3 A 20 SER H 1.0 . 3.91 198 188 A 21 CYS H A 21 CYS HBy 1.0 . 3.63 199 189 A 22 ARG HA A 22 ARG HDx 1.0 . 4.95 200 190 A 22 ARG HA A 22 ARG HDy 1.0 . 4.95 201 191 A 22 ARG H A 22 ARG HGy 1.0 . 4.07 202 192 A 22 ARG H A 22 ARG HGx 1.0 . 4.07 203 193 A 22 ARG HA A 22 ARG HGx 1.0 . 4.05 204 194 A 22 ARG HA A 22 ARG HGy 1.0 . 4.05 205 195 A 23 SER H A 23 SER HBy 1.0 . 3.55 206 196 A 23 SER H A 23 SER HBx 1.0 . 3.55 207 197 A 24 ASP H A 24 ASP HBy 1.0 . 3.61 208 198 A 25 TRP H A 25 TRP HBx 1.0 . 4.07 209 199 A 26 LYS HA A 26 LYS HDy 1.0 . 5.08 210 200 A 26 LYS HA A 26 LYS HDx 1.0 . 5.08 211 201 A 26 LYS HGy A 26 LYS HA 1.0 . 3.53 212 202 A 26 LYS HGx A 26 LYS HA 1.0 . 3.53 213 203 A 28 CYS H A 27 TYR HBy 1.0 . 4.22 214 204 A 29 ALA HB% A 29 ALA H 1.0 . 3.66 215 205 A 30 TRP H A 30 TRP HBy 1.0 . 3.71 216 206 A 30 TRP H A 30 TRP HBx 1.0 . 3.71 217 207 A 30 TRP H A 30 TRP HD1 1.0 . 4.43 218 208 A 30 TRP HE3 A 32 GLY H 1.0 . 4.56 219 209 A 34 PHE HE% A 30 TRP HBy 1.0 . 5.50 220 210 A 31 ASP H A 31 ASP HBy 1.0 . 3.98 221 211 A 31 ASP H A 31 ASP HBx 1.0 . 3.98 222 212 A 33 THR HB A 33 THR H 1.0 . 4.13 223 213 A 33 THR HA A 33 THR HG2% 1.0 . 3.57 224 214 A 33 THR H A 33 THR HG2% 1.0 . 3.94 225 215 A 34 PHE HA A 35 SER H 1.0 . 3.29 226 216 A 18 HIS HA A 18 HIS HD2 1.0 . 4.43 227 217 A 34 PHE HA A 34 PHE HE% 1.0 . 4.56 228 218 A 18 HIS H A 18 HIS HD2 1.0 . 5.14 229 219 A 5 LEU H A 4 TYR HD% 1.0 . 4.15 230 220 A 6 PHE HD% A 4 TYR HD% 1.0 . 4.64 231 221 A 4 TYR HD% A 6 PHE HBx 1.0 . 4.63 232 222 A 6 PHE HD% A 6 PHE HA 1.0 . 3.51 233 223 A 4 TYR HD% A 6 PHE HA 1.0 . 4.67 234 224 A 6 PHE HE% A 6 PHE HA 1.0 . 4.67 235 225 A 25 TRP HBx A 25 TRP HZ3 1.0 . 4.85 236 226 A 27 TYR HE% A 27 TYR H 1.0 . 4.26 237 227 A 27 TYR HD% A 27 TYR H 1.0 . 2.40 238 228 A 34 PHE HD% A 34 PHE H 1.0 . 4.47 239 229 A 34 PHE HD% A 35 SER H 1.0 . 4.86 240 230 A 15 CYS H A 12 THR HA 1.0 . 4.68 241 231 A 19 LEU HBx A 29 ALA H 1.0 . 4.77 242 232 A 28 CYS HBy A 29 ALA H 1.0 . 4.46 243 233 A 12 THR H A 21 CYS HBy 1.0 . 4.76 244 234 A 19 LEU HBy A 20 SER H 1.0 . 4.55 245 235 A 29 ALA HB% A 20 SER H 1.0 . 5.18 246 236 A 19 LEU HBx A 20 SER H 1.0 . 4.02 247 237 A 2 CYS H A 3 ARG H 1.0 . 4.65 248 238 A 7 GLY H A 8 GLY H 1.0 . 5.11 249 239 A 10 SER H A 11 SER H 1.0 . 3.09 250 240 A 16 CYS H A 17 LYS H 1.0 . 5.32 251 241 A 27 TYR HD% A 28 CYS H 1.0 . 4.25 252 242 A 6 PHE H A 4 TYR HE% 1.0 . 3.98 253 243 A 28 CYS H A 8 GLY HAx 1.0 . 3.93 254 244 A 6 PHE H A 7 GLY HAy 1.0 . 5.10 255 245 A 3 ARG H A 2 CYS HBy 1.0 . 4.05 256 246 A 3 ARG H A 2 CYS HBx 1.0 . 4.05 257 247 A 10 SER H A 9 CYS HB2 1.0 . 3.53 258 247 A 9 CYS HB3 A 10 SER H 1.0 . 3.53 259 248 A 6 PHE H A 6 PHE HBy 1.0 . 3.01 260 249 A 16 CYS H A 15 CYS HBx 1.0 . 4.00 261 250 A 16 CYS H A 2 CYS HBy 1.0 . 4.37 262 251 A 7 GLY H A 28 CYS HBx 1.0 . 4.22 263 252 A 16 CYS H A 15 CYS HBy 1.0 . 4.50 264 253 A 16 CYS H A 2 CYS HBx 1.0 . 4.37 265 254 A 7 GLY H A 3 ARG HBx 1.0 . 4.84 266 255 A 6 PHE H A 5 LEU HG 1.0 . 5.50 267 256 A 6 PHE H A 19 LEU HD1% 1.0 . 5.45 268 257 A 16 CYS H A 19 LEU HD1% 1.0 . 3.92 269 258 A 28 CYS H A 8 GLY HAy 1.0 . 4.81 270 259 A 18 HIS H A 17 LYS HA 1.0 . 2.98 271 260 A 14 ASP H A 13 SER HB2 1.0 . 4.11 272 260 A 13 SER HB3 A 14 ASP H 1.0 . 4.11 273 261 A 2 CYS H A 1 GLU HG2 1.0 . 4.84 274 261 A 2 CYS H A 1 GLU HG3 1.0 . 4.84 275 262 A 18 HIS H A 17 LYS HBy 1.0 . 4.58 276 263 A 3 ARG HGx A 8 GLY H 1.0 . 4.91 277 264 A 31 ASP H A 19 LEU HA 1.0 . 4.68 278 265 A 8 GLY H A 3 ARG HDy 1.0 . 5.50 279 266 A 18 HIS H A 17 LYS HD2 1.0 . 5.50 280 266 A 18 HIS H A 17 LYS HD3 1.0 . 5.50 281 267 A 25 TRP H A 26 LYS H 1.0 . 3.48 282 268 A 11 SER H A 10 SER HBx 1.0 . 4.30 283 269 A 11 SER H A 10 SER HBy 1.0 . 4.30 284 270 A 11 SER H A 9 CYS HB2 1.0 . 3.60 285 270 A 9 CYS HB3 A 11 SER H 1.0 . 3.60 286 271 A 3 ARG HGx A 4 TYR H 1.0 . 5.20 287 272 A 34 PHE H A 33 THR HG2% 1.0 . 4.64 288 273 A 9 CYS H A 8 GLY HAx 1.0 . 3.56 289 274 A 9 CYS H A 27 TYR HBy 1.0 . 5.08 290 275 A 32 GLY H A 31 ASP HBx 1.0 . 4.56 291 276 A 32 GLY H A 31 ASP HBy 1.0 . 4.56 292 277 A 16 CYS HBx A 17 LYS H 1.0 . 4.33 293 278 A 30 TRP H A 5 LEU HG 1.0 . 4.57 294 279 A 30 TRP HE3 A 19 LEU HD1% 1.0 . 5.20 295 280 A 19 LEU HD1% A 30 TRP HH2 1.0 . 4.33 296 281 A 5 LEU HG A 30 TRP HD1 1.0 . 5.14 297 282 A 30 TRP HZ3 A 18 HIS HBy 1.0 . 4.34 298 283 A 19 LEU HD1% A 30 TRP HZ3 1.0 . 4.91 299 284 A 4 TYR HE% A 6 PHE HBy 1.0 . 4.83 300 285 A 27 TYR H A 26 LYS HBy 1.0 . 4.96 301 286 A 22 ARG HBy A 27 TYR HD% 1.0 . 4.08 302 287 A 22 ARG HBy A 27 TYR HE% 1.0 . 3.49 303 288 A 27 TYR HA A 8 GLY HAx 1.0 . 4.07 304 289 A 20 SER HA A 12 THR HA 1.0 . 4.17 305 290 A 2 CYS HA A 16 CYS HBy 1.0 . 5.08 306 291 A 20 SER HA A 15 CYS HBy 1.0 . 5.13 307 292 A 28 CYS HA A 15 CYS HBy 1.0 . 5.50 308 293 A 20 SER HA A 21 CYS HBy 1.0 . 5.47 309 294 A 28 CYS HA A 21 CYS HBy 1.0 . 5.50 310 295 A 20 SER HA A 21 CYS HBx 1.0 . 5.47 311 296 A 28 CYS HA A 21 CYS HBx 1.0 . 5.50 312 297 A 3 ARG HBx A 15 CYS HA 1.0 . 5.08 313 298 A 12 THR HG2% A 20 SER HA 1.0 . 3.42 314 299 A 19 LEU HD1% A 15 CYS HA 1.0 . 5.04 315 300 A 33 THR HB A 34 PHE HA 1.0 . 5.50 316 301 A 34 PHE HA A 35 SER HA 1.0 . 5.50 317 302 A 21 CYS HA A 20 SER HB2 1.0 . 5.19 318 302 A 20 SER HB3 A 21 CYS HA 1.0 . 5.19 319 303 A 10 SER HA A 9 CYS HB2 1.0 . 4.29 320 303 A 9 CYS HB3 A 10 SER HA 1.0 . 4.29 321 304 A 27 TYR HBx A 8 GLY HAy 1.0 . 4.90 322 305 A 8 GLY HAy A 27 TYR HBy 1.0 . 5.14 323 306 A 3 ARG HA A 4 TYR HBx 1.0 . 4.88 324 307 A 5 LEU HG A 29 ALA HA 1.0 . 4.24 325 308 A 19 LEU HD1% A 16 CYS HA 1.0 . 5.50 326 309 A 5 LEU HD2% A 29 ALA HA 1.0 . 3.74 327 310 A 4 TYR HA A 5 LEU HA 1.0 . 4.57 328 311 A 19 LEU HD1% A 4 TYR HA 1.0 . 3.41 329 312 A 3 ARG HBx A 7 GLY HAx 1.0 . 4.22 330 313 A 17 LYS HA A 18 HIS HA 1.0 . 4.93 331 314 A 16 CYS HA A 17 LYS HA 1.0 . 4.69 332 315 A 19 LEU HD2% A 4 TYR HA 1.0 . 4.78 333 316 A 12 THR HG2% A 13 SER HB2 1.0 . 5.50 334 316 A 12 THR HG2% A 13 SER HB3 1.0 . 5.50 335 317 A 15 CYS HBy A 12 THR HA 1.0 . 4.62 336 318 A 27 TYR HBx A 8 GLY HAx 1.0 . 3.73 337 319 A 27 TYR HBy A 8 GLY HAx 1.0 . 3.80 338 320 A 12 THR HA A 21 CYS HBx 1.0 . 3.59 339 321 A 7 GLY HAy A 3 ARG HDx 1.0 . 4.73 340 322 A 3 ARG HGx A 7 GLY HAy 1.0 . 5.27 341 323 A 3 ARG HBx A 7 GLY HAy 1.0 . 3.95 342 324 A 28 CYS HBx A 5 LEU HA 1.0 . 4.39 343 325 A 28 CYS HBy A 5 LEU HA 1.0 . 5.09 344 326 A 7 GLY HAy A 3 ARG HGy 1.0 . 5.50 345 327 A 3 ARG HBy A 7 GLY HAy 1.0 . 4.17 346 328 A 19 LEU HD2% A 5 LEU HA 1.0 . 3.54 347 329 A 28 CYS HBy A 15 CYS HBx 1.0 . 4.60 348 330 A 19 LEU HBy A 15 CYS HBx 1.0 . 3.29 349 331 A 19 LEU HBy A 28 CYS HBx 1.0 . 4.71 350 332 A 19 LEU HBx A 28 CYS HBx 1.0 . 4.26 351 333 A 19 LEU HD1% A 28 CYS HBx 1.0 . 4.33 352 334 A 19 LEU HD1% A 4 TYR HBy 1.0 . 4.34 353 335 A 19 LEU HD1% A 15 CYS HBx 1.0 . 4.48 354 336 A 12 THR HG2% A 15 CYS HBy 1.0 . 4.97 355 337 A 19 LEU HBx A 15 CYS HBy 1.0 . 4.79 356 338 A 19 LEU HD1% A 4 TYR HBx 1.0 . 4.63 357 339 A 19 LEU HD1% A 15 CYS HBy 1.0 . 5.07 358 340 A 19 LEU HBy A 15 CYS HBy 1.0 . 3.76 359 341 A 3 ARG HBy A 4 TYR HBx 1.0 . 5.50 360 342 A 19 LEU HD2% A 28 CYS HBx 1.0 . 4.36 361 343 A 19 LEU HD2% A 4 TYR HBy 1.0 . 4.55 362 344 A 19 LEU HG A 15 CYS HBx 1.0 . 4.76 363 345 A 5 LEU HBx A 4 TYR HBy 1.0 . 4.67 364 346 A 19 LEU HBx A 15 CYS HBx 1.0 . 3.82 365 347 A 19 LEU HBy A 28 CYS HBy 1.0 . 4.02 366 348 A 19 LEU HD1% A 28 CYS HBy 1.0 . 3.87 367 349 A 19 LEU HD2% A 28 CYS HBy 1.0 . 3.96 368 350 A 19 LEU HBx A 28 CYS HBy 1.0 . 3.62 369 351 A 22 ARG HBy A 25 TRP HBy 1.0 . 4.74 370 352 A 29 ALA HB% A 5 LEU HG 1.0 . 5.09 371 353 A 5 LEU HD2% A 29 ALA HB% 1.0 . 4.05 372 354 A 19 LEU HD2% A 29 ALA HB% 1.0 . 4.82 373 355 A 19 LEU HD2% A 5 LEU HBy 1.0 . 4.12 374 356 A 5 LEU HD2% A 19 LEU HD2% 1.0 . 4.06 375 357 A 19 LEU HD2% A 5 LEU HBx 1.0 . 4.68 376 358 A 25 TRP HBx A 27 TYR HBy 1.0 . 4.09 377 359 A 9 CYS HB3 A 21 CYS HBx 1.0 . 4.49 378 359 A 21 CYS HBx A 9 CYS HB2 1.0 . 4.49 379 360 A 9 CYS HB2 A 21 CYS HBy 1.0 . 4.49 380 360 A 9 CYS HB3 A 21 CYS HBy 1.0 . 4.49 381 361 A 7 GLY HAy A 3 ARG HDy 1.0 . 4.26 382 362 A 12 THR H A 21 CYS HBx 1.0 . 4.76 383 363 A 12 THR HA A 13 SER H 1.0 . 3.49 384 364 A 30 TRP H A 29 ALA HB% 1.0 . 3.52 385 365 A 6 PHE H A 7 GLY H 1.0 . 3.74 386 366 A 5 LEU H A 4 TYR HBx 1.0 . 3.69 387 367 A 4 TYR H A 8 GLY H 1.0 . 5.27 388 368 A 9 CYS H A 26 LYS HBx 1.0 . 4.74 389 369 A 29 ALA HB% A 34 PHE HE% 1.0 . 4.01 390 370 A 27 TYR HD% A 29 ALA HA 1.0 . 4.99 391 371 A 27 TYR HD% A 26 LYS HBy 1.0 . 5.17 392 372 A 27 TYR HE% A 22 ARG HDy 1.0 . 5.50 393 373 A 12 THR HG2% A 20 SER HB2 1.0 . 3.52 394 373 A 12 THR HG2% A 20 SER HB3 1.0 . 3.52 395 374 A 4 TYR HD% A 6 PHE HBy 1.0 . 4.70 396 375 A 12 THR HA A 21 CYS HBy 1.0 . 3.59 397 376 A 26 LYS HBy A 9 CYS H 1.0 . 4.97 398 377 A 19 LEU HBy A 15 CYS HA 1.0 . 4.63 399 378 A 29 ALA HB% A 20 SER HB2 1.0 . 4.86 400 378 A 29 ALA HB% A 20 SER HB3 1.0 . 4.86 401 379 A 29 ALA HB% A 20 SER HA 1.0 . 4.65 402 380 A 29 ALA HB% A 5 LEU HA 1.0 . 5.34 403 381 A 5 LEU HBy A 4 TYR HD% 1.0 . 5.17 404 382 A 5 LEU HBx A 6 PHE HE% 1.0 . 4.99 405 383 A 5 LEU HBx A 4 TYR HD% 1.0 . 4.33 406 384 A 17 LYS H A 15 CYS HBx 1.0 . 5.21 407 385 A 19 LEU H A 15 CYS HBx 1.0 . 5.37 408 386 A 7 GLY H A 28 CYS H 1.0 . 4.70 409 387 A 2 CYS H A 2 CYS HBx 1.0 . 3.42 410 387 A 2 CYS H A 2 CYS HBy 1.0 . 3.42 411 388 A 3 ARG H A 2 CYS HBx 1.0 . 3.36 412 388 A 3 ARG H A 2 CYS HBy 1.0 . 3.36 413 389 A 15 CYS HA A 2 CYS HBx 1.0 . 4.55 414 389 A 15 CYS HA A 2 CYS HBy 1.0 . 4.55 415 390 A 16 CYS H A 2 CYS HBx 1.0 . 3.79 416 390 A 16 CYS H A 2 CYS HBy 1.0 . 3.79 417 391 A 16 CYS HA A 2 CYS HBx 1.0 . 4.66 418 391 A 16 CYS HA A 2 CYS HBy 1.0 . 4.66 419 392 A 17 LYS H A 2 CYS HBx 1.0 . 4.36 420 392 A 17 LYS H A 2 CYS HBy 1.0 . 4.36 421 393 A 9 CYS HB3 A 10 SER HBx 1.0 . 4.60 422 393 A 10 SER HBy A 9 CYS HB2 1.0 . 4.60 423 393 A 9 CYS HB3 A 10 SER HBy 1.0 . 4.60 424 393 A 9 CYS HB2 A 10 SER HBx 1.0 . 4.60 425 394 A 9 CYS HB2 A 11 SER HBx 1.0 . 4.63 426 394 A 9 CYS HB3 A 11 SER HBx 1.0 . 4.63 427 394 A 11 SER HBy A 9 CYS HB2 1.0 . 4.63 428 394 A 9 CYS HB3 A 11 SER HBy 1.0 . 4.63 429 395 A 9 CYS HB2 A 21 CYS HBy 1.0 . 3.85 430 395 A 9 CYS HB3 A 21 CYS HBy 1.0 . 3.85 431 395 A 21 CYS HBx A 9 CYS HB2 1.0 . 3.85 432 395 A 9 CYS HB3 A 21 CYS HBx 1.0 . 3.85 433 396 A 10 SER H A 10 SER HBx 1.0 . 3.57 434 396 A 10 SER H A 10 SER HBy 1.0 . 3.57 435 397 A 10 SER HA A 26 LYS HDx 1.0 . 4.73 436 397 A 10 SER HA A 26 LYS HDy 1.0 . 4.73 437 398 A 10 SER HBx A 26 LYS HDx 1.0 . 4.62 438 398 A 10 SER HBy A 26 LYS HDx 1.0 . 4.62 439 398 A 26 LYS HDy A 10 SER HBx 1.0 . 4.62 440 398 A 10 SER HBy A 26 LYS HDy 1.0 . 4.62 441 399 A 12 THR H A 11 SER HBx 1.0 . 3.81 442 399 A 12 THR H A 11 SER HBy 1.0 . 3.81 443 400 A 13 SER H A 11 SER HBx 1.0 . 3.75 444 400 A 13 SER H A 11 SER HBy 1.0 . 3.75 445 401 A 12 THR H A 21 CYS HBy 1.0 . 4.08 446 401 A 12 THR H A 21 CYS HBx 1.0 . 4.08 447 402 A 12 THR HA A 21 CYS HBy 1.0 . 3.08 448 402 A 12 THR HA A 21 CYS HBx 1.0 . 3.08 449 403 A 12 THR HG2% A 21 CYS HBy 1.0 . 4.02 450 403 A 12 THR HG2% A 21 CYS HBx 1.0 . 4.02 451 404 A 12 THR HG2% A 23 SER HBy 1.0 . 5.34 452 404 A 12 THR HG2% A 23 SER HBx 1.0 . 5.34 453 405 A 17 LYS H A 17 LYS HBy 1.0 . 3.02 454 405 A 17 LYS H A 17 LYS HBx 1.0 . 3.02 455 406 A 17 LYS H A 17 LYS HGx 1.0 . 4.08 456 406 A 17 LYS H A 17 LYS HGy 1.0 . 4.08 457 407 A 17 LYS HA A 17 LYS HGx 1.0 . 3.52 458 407 A 17 LYS HA A 17 LYS HGy 1.0 . 3.52 459 408 A 17 LYS HBy A 17 LYS HD2 1.0 . 3.23 460 408 A 17 LYS HBx A 17 LYS HD2 1.0 . 3.23 461 408 A 17 LYS HD3 A 17 LYS HBy 1.0 . 3.23 462 408 A 17 LYS HD3 A 17 LYS HBx 1.0 . 3.23 463 409 A 18 HIS H A 17 LYS HBy 1.0 . 4.02 464 409 A 18 HIS H A 17 LYS HBx 1.0 . 4.02 465 410 A 30 TRP HH2 A 17 LYS HBy 1.0 . 5.34 466 410 A 30 TRP HH2 A 17 LYS HBx 1.0 . 5.34 467 411 A 18 HIS H A 17 LYS HGx 1.0 . 4.89 468 411 A 18 HIS H A 17 LYS HGy 1.0 . 4.89 469 412 A 30 TRP HH2 A 17 LYS HGx 1.0 . 5.32 470 412 A 30 TRP HH2 A 17 LYS HGy 1.0 . 5.32 471 413 A 19 LEU HD1% A 18 HIS HBx 1.0 . 5.34 472 413 A 19 LEU HD1% A 18 HIS HBy 1.0 . 5.34 473 414 A 30 TRP HE3 A 18 HIS HBx 1.0 . 4.22 474 414 A 30 TRP HE3 A 18 HIS HBy 1.0 . 4.22 475 415 A 30 TRP HH2 A 18 HIS HBx 1.0 . 4.79 476 415 A 30 TRP HH2 A 18 HIS HBy 1.0 . 4.79 477 416 A 19 LEU HD2% A 30 TRP HBx 1.0 . 4.56 478 416 A 19 LEU HD2% A 30 TRP HBy 1.0 . 4.56 479 417 A 20 SER HA A 21 CYS HBy 1.0 . 4.80 480 417 A 20 SER HA A 21 CYS HBx 1.0 . 4.80 481 418 A 22 ARG H A 22 ARG HGx 1.0 . 3.29 482 418 A 22 ARG H A 22 ARG HGy 1.0 . 3.29 483 419 A 22 ARG HA A 22 ARG HGx 1.0 . 3.45 484 419 A 22 ARG HA A 22 ARG HGy 1.0 . 3.45 485 420 A 22 ARG HA A 22 ARG HDx 1.0 . 4.22 486 420 A 22 ARG HA A 22 ARG HDy 1.0 . 4.22 487 421 A 22 ARG HBy A 22 ARG HGx 1.0 . 2.42 488 421 A 22 ARG HBy A 22 ARG HGy 1.0 . 2.42 489 422 A 22 ARG HBy A 22 ARG HDx 1.0 . 3.57 490 422 A 22 ARG HBy A 22 ARG HDy 1.0 . 3.57 491 423 A 22 ARG HBx A 24 ASP HBx 1.0 . 4.83 492 423 A 22 ARG HBx A 24 ASP HBy 1.0 . 4.83 493 424 A 22 ARG HE A 22 ARG HGx 1.0 . 3.68 494 424 A 22 ARG HE A 22 ARG HGy 1.0 . 3.68 495 425 A 25 TRP HBy A 22 ARG HGx 1.0 . 5.34 496 425 A 25 TRP HBy A 22 ARG HGy 1.0 . 5.34 497 426 A 27 TYR H A 22 ARG HGx 1.0 . 4.91 498 426 A 27 TYR H A 22 ARG HGy 1.0 . 4.91 499 427 A 27 TYR HD% A 22 ARG HGx 1.0 . 4.81 500 427 A 27 TYR HD% A 22 ARG HGy 1.0 . 4.81 501 428 A 27 TYR HE% A 22 ARG HGx 1.0 . 4.33 502 428 A 27 TYR HE% A 22 ARG HGy 1.0 . 4.33 503 429 A 23 SER H A 23 SER HBy 1.0 . 3.04 504 429 A 23 SER H A 23 SER HBx 1.0 . 3.04 505 430 A 24 ASP H A 23 SER HBy 1.0 . 4.25 506 430 A 24 ASP H A 23 SER HBx 1.0 . 4.25 507 431 A 26 LYS H A 26 LYS HDx 1.0 . 5.33 508 431 A 26 LYS H A 26 LYS HDy 1.0 . 5.33 509 432 A 26 LYS HA A 26 LYS HDx 1.0 . 4.42 510 432 A 26 LYS HA A 26 LYS HDy 1.0 . 4.42 511 433 A 29 ALA HB% A 30 TRP HBx 1.0 . 4.87 512 433 A 29 ALA HB% A 30 TRP HBy 1.0 . 4.87 513 434 A 30 TRP HE3 A 30 TRP HBx 1.0 . 3.57 514 434 A 30 TRP HE3 A 30 TRP HBy 1.0 . 3.57 515 435 A 31 ASP H A 30 TRP HBx 1.0 . 4.27 516 435 A 31 ASP H A 30 TRP HBy 1.0 . 4.27 517 436 A 34 PHE HE% A 30 TRP HBx 1.0 . 4.69 518 436 A 34 PHE HE% A 30 TRP HBy 1.0 . 4.69 519 437 A 34 PHE HZ A 30 TRP HBx 1.0 . 5.34 520 437 A 30 TRP HBy A 34 PHE HZ 1.0 . 5.34 521 438 A 31 ASP H A 31 ASP HBy 1.0 . 3.45 522 438 A 31 ASP H A 31 ASP HBx 1.0 . 3.45 523 439 A 32 GLY H A 31 ASP HBy 1.0 . 3.96 524 439 A 32 GLY H A 31 ASP HBx 1.0 . 3.96 525 440 A 34 PHE H A 34 PHE HBx 1.0 . 3.26 526 440 A 34 PHE H A 34 PHE HBy 1.0 . 3.26 527 441 A 34 PHE HA A 35 SER HBx 1.0 . 5.34 528 441 A 34 PHE HA A 35 SER HBy 1.0 . 5.34 529 442 A 35 SER H A 34 PHE HBx 1.0 . 4.30 530 442 A 35 SER H A 34 PHE HBy 1.0 . 4.30 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 GLU C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -143.0 -51.0 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 ARG N 1.0 111.0 179.0 PSI 3 3 A 2 CYS C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -146.0 -30.0 PHI 4 4 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 TYR N 1.0 104.0 172.0 PSI 5 5 A 3 ARG C A 4 TYR N A 4 TYR CA A 4 TYR C 1.0 -160.0 -44.0 PHI 6 6 A 4 TYR N A 4 TYR CA A 4 TYR C A 5 LEU N 1.0 132.0 184.0 PSI 7 7 A 4 TYR C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -72.0 -44.0 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 PHE N 1.0 -47.0 -11.0 PSI 9 9 A 5 LEU C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -78.0 -54.0 PHI 10 10 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 GLY N 1.0 -64.0 0.0 PSI 11 11 A 6 PHE C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 -114.0 -38.0 PHI 12 12 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 GLY N 1.0 -69.0 15.0 PSI 13 13 A 8 GLY C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -157.0 -117.0 PHI 14 14 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 SER N 1.0 132.0 180.0 PSI 15 15 A 10 SER C A 11 SER N A 11 SER CA A 11 SER C 1.0 -169.0 -29.0 PHI 16 16 A 11 SER N A 11 SER CA A 11 SER C A 12 THR N 1.0 78.0 178.0 PSI 17 17 A 11 SER C A 12 THR N A 12 THR CA A 12 THR C 1.0 -71.0 -43.0 PHI 18 18 A 12 THR N A 12 THR CA A 12 THR C A 13 SER N 1.0 -54.0 -18.0 PSI 19 19 A 12 THR C A 13 SER N A 13 SER CA A 13 SER C 1.0 -74.0 -46.0 PHI 20 20 A 13 SER N A 13 SER CA A 13 SER C A 14 ASP N 1.0 -65.0 -21.0 PSI 21 21 A 13 SER C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -116.0 -72.0 PHI 22 22 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 CYS N 1.0 -40.0 44.0 PSI 23 23 A 16 CYS C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -110.0 -46.0 PHI 24 24 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 HIS N 1.0 -46.0 38.0 PSI 25 25 A 17 LYS C A 18 HIS N A 18 HIS CA A 18 HIS C 1.0 50.0 74.0 PHI 26 26 A 18 HIS N A 18 HIS CA A 18 HIS C A 19 LEU N 1.0 2.0 58.0 PSI 27 27 A 18 HIS C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -154.0 -54.0 PHI 28 28 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 SER N 1.0 119.0 179.0 PSI 29 29 A 19 LEU C A 20 SER N A 20 SER CA A 20 SER C 1.0 -142.0 -94.0 PHI 30 30 A 20 SER N A 20 SER CA A 20 SER C A 21 CYS N 1.0 106.0 166.0 PSI 31 31 A 20 SER C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -156.0 -64.0 PHI 32 32 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ARG N 1.0 96.0 132.0 PSI 33 33 A 21 CYS C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -94.0 -54.0 PHI 34 34 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 SER N 1.0 84.0 192.0 PSI 35 35 A 22 ARG C A 23 SER N A 23 SER CA A 23 SER C 1.0 -76.0 -48.0 PHI 36 36 A 23 SER N A 23 SER CA A 23 SER C A 24 ASP N 1.0 -53.0 -5.0 PSI 37 37 A 23 SER C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -96.0 -48.0 PHI 38 38 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 TRP N 1.0 -59.0 21.0 PSI 39 39 A 24 ASP C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -120.0 -68.0 PHI 40 40 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 LYS N 1.0 -16.0 32.0 PSI 41 41 A 25 TRP C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 51.0 67.0 PHI 42 42 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 TYR N 1.0 23.0 59.0 PSI 43 43 A 26 LYS C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -152.0 -92.0 PHI 44 44 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 136.0 172.0 PSI 45 45 A 27 TYR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -149.0 -53.0 PHI 46 46 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 ALA N 1.0 91.0 171.0 PSI 47 47 A 28 CYS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -170.0 -74.0 PHI 48 48 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 TRP N 1.0 123.0 175.0 PSI 49 49 A 29 ALA C A 30 TRP N A 30 TRP CA A 30 TRP C 1.0 -146.0 -14.0 PHI 50 50 A 30 TRP N A 30 TRP CA A 30 TRP C A 31 ASP N 1.0 101.0 165.0 PSI 51 51 A 30 TRP C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 31.0 115.0 PHI 52 52 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 GLY N 1.0 -29.0 71.0 PSI 53 53 A 32 GLY C A 33 THR N A 33 THR CA A 33 THR C 1.0 -168.0 -36.0 PHI 54 54 A 33 THR N A 33 THR CA A 33 THR C A 34 PHE N 1.0 133.0 177.0 PSI 55 55 A 33 THR C A 34 PHE N A 34 PHE CA A 34 PHE C 1.0 -134.0 -30.0 PHI 56 56 A 34 PHE N A 34 PHE CA A 34 PHE C A 35 SER N 1.0 88.0 160.0 PSI stop_ save_