data_nef_c30579_6o3q 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6O3Q 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 13 CYS SG 1 33 CYS SG 1 17 CYS SG 1 29 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 ARG start . . 2 A 2 GLY middle . false 3 A 3 PRO middle . false 4 A 4 ASP middle . . 5 A 5 LYS middle . . 6 A 6 SER middle . . 7 A 7 TYR middle . . 8 A 8 LYS middle . . 9 A 9 ARG middle . . 10 A 10 LEU middle . . 11 A 11 GLN middle . . 12 A 12 GLU middle . . 13 A 13 CYS middle -HG . 14 A 14 GLN middle . . 15 A 15 ARG middle . . 16 A 16 ARG middle . . 17 A 17 CYS middle -HG . 18 A 18 GLN middle . . 19 A 19 SER middle . . 20 A 20 GLU middle . . 21 A 21 GLN middle . . 22 A 22 GLN middle . . 23 A 23 GLY middle . false 24 A 24 GLN middle . . 25 A 25 ARG middle . . 26 A 26 LEU middle . . 27 A 27 GLN middle . . 28 A 28 GLU middle . . 29 A 29 CYS middle -HG . 30 A 30 GLN middle . . 31 A 31 GLN middle . . 32 A 32 ARG middle . . 33 A 33 CYS middle -HG . 34 A 34 GLN middle . . 35 A 35 GLN middle . . 36 A 36 GLU middle . . 37 A 37 TYR middle . . 38 A 38 GLN middle . . 39 A 39 ARG middle . . 40 A 40 GLU middle . . 41 A 41 LYS middle . . 42 A 42 GLY middle . false 43 A 43 GLN middle . . 44 A 44 HIS middle . . 45 A 45 GLN middle . . 46 A 46 GLY middle . false 47 A 47 GLU middle . . 48 A 48 THR middle . . 49 A 49 ASN end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ARG HA H 1 4.036 0.000 A 1 ARG HBx H 1 1.881 0.000 A 1 ARG HBy H 1 1.881 0.000 A 1 ARG HDx H 1 3.166 0.000 A 1 ARG HDy H 1 3.166 0.000 A 1 ARG HE H 1 7.208 0.000 A 1 ARG HGx H 1 1.644 0.000 A 1 ARG HGy H 1 1.644 0.000 A 1 ARG CA C 13 58.984 0.000 A 1 ARG CB C 13 30.607 0.000 A 1 ARG CG C 13 26.098 0.000 A 2 GLY H H 1 8.709 0.000 A 2 GLY HAy H 1 4.188 0.000 A 2 GLY HAx H 1 4.127 0.000 A 2 GLY CA C 13 44.351 0.000 A 2 GLY N N 15 111.849 0.000 A 3 PRO HA H 1 4.425 0.000 A 3 PRO HBy H 1 2.205 0.000 A 3 PRO HBx H 1 1.868 0.000 A 3 PRO HDx H 1 3.578 0.000 A 3 PRO HDy H 1 3.578 0.000 A 3 PRO HGx H 1 1.975 0.000 A 3 PRO HGy H 1 1.975 0.000 A 3 PRO CA C 13 62.782 0.000 A 3 PRO CB C 13 32.220 0.000 A 4 ASP H H 1 8.508 0.000 A 4 ASP HA H 1 4.682 0.000 A 4 ASP HBx H 1 2.827 0.000 A 4 ASP HBy H 1 2.827 0.000 A 4 ASP CA C 13 53.478 0.000 A 4 ASP CB C 13 41.189 0.000 A 4 ASP N N 15 121.277 0.000 A 5 LYS H H 1 8.734 0.000 A 5 LYS HA H 1 4.160 0.000 A 5 LYS HBy H 1 1.879 0.000 A 5 LYS HBx H 1 1.829 0.000 A 5 LYS HGy H 1 1.513 0.000 A 5 LYS HGx H 1 1.411 0.000 A 5 LYS CA C 13 58.789 0.000 A 5 LYS CB C 13 32.287 0.000 A 5 LYS CG C 13 25.036 0.000 A 5 LYS N N 15 123.772 0.000 A 6 SER H H 1 8.549 0.000 A 6 SER HA H 1 4.307 0.000 A 6 SER HBx H 1 4.014 0.000 A 6 SER HBy H 1 4.014 0.000 A 6 SER CA C 13 61.899 0.000 A 6 SER CB C 13 62.363 0.000 A 6 SER N N 15 116.259 0.000 A 7 TYR H H 1 8.436 0.000 A 7 TYR HA H 1 4.161 0.000 A 7 TYR HBy H 1 3.223 0.000 A 7 TYR HBx H 1 3.028 0.000 A 7 TYR HDx H 1 6.892 0.000 A 7 TYR HDy H 1 6.892 0.000 A 7 TYR HEx H 1 6.695 0.000 A 7 TYR HEy H 1 6.695 0.000 A 7 TYR CA C 13 61.363 0.000 A 7 TYR CB C 13 38.230 0.000 A 7 TYR N N 15 125.691 0.000 A 8 LYS H H 1 8.100 0.000 A 8 LYS HA H 1 4.063 0.000 A 8 LYS HBy H 1 1.849 0.000 A 8 LYS HBx H 1 1.641 0.000 A 8 LYS HGx H 1 1.408 0.000 A 8 LYS HGy H 1 1.408 0.000 A 8 LYS CA C 13 58.813 0.000 A 8 LYS CB C 13 31.824 0.000 A 8 LYS CG C 13 24.973 0.000 A 8 LYS N N 15 120.144 0.000 A 9 ARG H H 1 7.986 0.000 A 9 ARG HA H 1 4.026 0.000 A 9 ARG HBx H 1 1.883 0.000 A 9 ARG HBy H 1 1.883 0.000 A 9 ARG HDx H 1 3.219 0.000 A 9 ARG HDy H 1 3.219 0.000 A 9 ARG HE H 1 7.444 0.000 A 9 ARG HGy H 1 1.727 0.000 A 9 ARG HGx H 1 1.583 0.000 A 9 ARG CA C 13 59.371 0.000 A 9 ARG N N 15 118.701 0.000 A 10 LEU H H 1 7.693 0.000 A 10 LEU HA H 1 4.361 0.000 A 10 LEU HBy H 1 1.768 0.000 A 10 LEU HBx H 1 1.167 0.000 A 10 LEU HDx% H 1 0.164 0.000 A 10 LEU HDy% H 1 0.644 0.000 A 10 LEU HG H 1 1.033 0.000 A 10 LEU CA C 13 57.953 0.000 A 10 LEU CDy C 13 23.093 0.000 A 10 LEU CG C 13 26.800 0.000 A 10 LEU N N 15 123.138 0.000 A 11 GLN H H 1 7.969 0.000 A 11 GLN HA H 1 3.886 0.000 A 11 GLN HBy H 1 2.052 0.000 A 11 GLN HBx H 1 1.896 0.000 A 11 GLN HE2y H 1 6.888 0.000 A 11 GLN HE2x H 1 6.648 0.000 A 11 GLN HGx H 1 1.885 0.000 A 11 GLN HGy H 1 1.885 0.000 A 11 GLN CA C 13 58.839 0.000 A 11 GLN CB C 13 32.724 0.000 A 11 GLN N N 15 117.662 0.000 A 12 GLU H H 1 8.100 0.000 A 12 GLU HA H 1 3.993 0.000 A 12 GLU HBy H 1 2.080 0.000 A 12 GLU HBx H 1 1.977 0.000 A 12 GLU HGy H 1 2.398 0.000 A 12 GLU HGx H 1 2.309 0.000 A 12 GLU CA C 13 58.838 0.000 A 12 GLU CG C 13 34.698 0.000 A 12 GLU N N 15 119.402 0.000 A 13 CYS H H 1 8.426 0.000 A 13 CYS HA H 1 4.148 0.000 A 13 CYS HBy H 1 3.487 0.000 A 13 CYS HBx H 1 3.052 0.000 A 13 CYS CA C 13 58.805 0.000 A 13 CYS CB C 13 36.399 0.000 A 13 CYS N N 15 121.600 0.000 A 14 GLN H H 1 8.650 0.000 A 14 GLN HA H 1 3.791 0.000 A 14 GLN HBy H 1 2.111 0.000 A 14 GLN HBx H 1 1.984 0.000 A 14 GLN HE2y H 1 6.891 0.000 A 14 GLN HE2x H 1 6.621 0.000 A 14 GLN HGy H 1 2.565 0.000 A 14 GLN HGx H 1 2.167 0.000 A 14 GLN CA C 13 59.772 0.000 A 14 GLN N N 15 118.633 0.000 A 15 ARG H H 1 8.132 0.000 A 15 ARG HA H 1 4.063 0.000 A 15 ARG HBx H 1 1.867 0.000 A 15 ARG HBy H 1 1.867 0.000 A 15 ARG HDx H 1 3.119 0.000 A 15 ARG HDy H 1 3.119 0.000 A 15 ARG HE H 1 7.262 0.000 A 15 ARG HGy H 1 1.691 0.000 A 15 ARG HGx H 1 1.570 0.000 A 15 ARG CA C 13 57.952 0.000 A 15 ARG CB C 13 32.247 0.000 A 15 ARG CG C 13 27.354 0.000 A 15 ARG N N 15 120.575 0.000 A 16 ARG H H 1 8.092 0.000 A 16 ARG HA H 1 4.076 0.000 A 16 ARG HBx H 1 1.930 0.000 A 16 ARG HBy H 1 1.930 0.000 A 16 ARG HDx H 1 3.159 0.000 A 16 ARG HDy H 1 3.159 0.000 A 16 ARG HE H 1 7.243 0.000 A 16 ARG HGy H 1 1.712 0.000 A 16 ARG HGx H 1 1.537 0.000 A 16 ARG CA C 13 58.568 0.000 A 16 ARG CG C 13 27.055 0.000 A 16 ARG N N 15 121.236 0.000 A 17 CYS H H 1 8.019 0.000 A 17 CYS HA H 1 4.409 0.000 A 17 CYS HBy H 1 3.192 0.000 A 17 CYS HBx H 1 2.906 0.000 A 17 CYS CA C 13 56.951 0.000 A 17 CYS CB C 13 37.051 0.000 A 17 CYS N N 15 116.179 0.000 A 18 GLN H H 1 7.821 0.000 A 18 GLN HA H 1 4.016 0.000 A 18 GLN HBx H 1 2.135 0.000 A 18 GLN HBy H 1 2.135 0.000 A 18 GLN HGy H 1 2.467 0.000 A 18 GLN HGx H 1 2.415 0.000 A 18 GLN CA C 13 58.858 0.000 A 18 GLN N N 15 116.529 0.000 A 19 SER H H 1 7.778 0.000 A 19 SER HA H 1 4.433 0.000 A 19 SER HBy H 1 4.003 0.000 A 19 SER HBx H 1 3.931 0.000 A 19 SER CA C 13 59.874 0.000 A 19 SER CB C 13 63.688 0.000 A 19 SER N N 15 112.132 0.000 A 20 GLU H H 1 7.653 0.000 A 20 GLU HA H 1 4.485 0.000 A 20 GLU HBy H 1 2.090 0.000 A 20 GLU HBx H 1 1.994 0.000 A 20 GLU HGy H 1 2.473 0.000 A 20 GLU HGx H 1 2.390 0.000 A 20 GLU CA C 13 56.333 0.000 A 20 GLU CB C 13 30.807 0.000 A 20 GLU N N 15 118.175 0.000 A 21 GLN H H 1 8.148 0.000 A 21 GLN HA H 1 4.678 0.000 A 21 GLN HBy H 1 1.926 0.000 A 21 GLN HBx H 1 1.770 0.000 A 21 GLN HE2y H 1 7.433 0.000 A 21 GLN HE2x H 1 6.666 0.000 A 21 GLN HGy H 1 2.387 0.000 A 21 GLN HGx H 1 2.251 0.000 A 21 GLN CA C 13 54.636 0.000 A 21 GLN CG C 13 32.871 0.000 A 21 GLN N N 15 117.136 0.000 A 22 GLN H H 1 8.293 0.000 A 22 GLN HA H 1 4.492 0.000 A 22 GLN HBy H 1 2.098 0.000 A 22 GLN HBx H 1 1.928 0.000 A 22 GLN HGy H 1 2.345 0.000 A 22 GLN HGx H 1 2.286 0.000 A 22 GLN CA C 13 55.147 0.000 A 22 GLN CB C 13 31.403 0.000 A 22 GLN N N 15 117.284 0.000 A 23 GLY H H 1 8.866 0.000 A 23 GLY HAx H 1 3.816 0.000 A 23 GLY HAy H 1 4.074 0.000 A 23 GLY CA C 13 46.114 0.000 A 23 GLY N N 15 109.853 0.000 A 24 GLN H H 1 9.013 0.000 A 24 GLN HA H 1 4.117 0.000 A 24 GLN HBy H 1 2.360 0.000 A 24 GLN HBx H 1 2.061 0.000 A 24 GLN HGx H 1 2.408 0.000 A 24 GLN HGy H 1 2.408 0.000 A 24 GLN CA C 13 58.851 0.000 A 24 GLN N N 15 125.934 0.000 A 25 ARG H H 1 8.341 0.000 A 25 ARG HA H 1 4.092 0.000 A 25 ARG HBy H 1 2.029 0.000 A 25 ARG HBx H 1 1.917 0.000 A 25 ARG HDx H 1 3.213 0.000 A 25 ARG HDy H 1 3.213 0.000 A 25 ARG HE H 1 7.215 0.000 A 25 ARG HGy H 1 1.803 0.000 A 25 ARG HGx H 1 1.658 0.000 A 25 ARG CA C 13 58.722 0.000 A 25 ARG CG C 13 28.057 0.000 A 25 ARG N N 15 117.945 0.000 A 26 LEU H H 1 7.300 0.000 A 26 LEU HA H 1 3.875 0.000 A 26 LEU HBy H 1 1.972 0.000 A 26 LEU HBx H 1 1.152 0.000 A 26 LEU HDx% H 1 0.904 0.000 A 26 LEU HDy% H 1 0.806 0.000 A 26 LEU HG H 1 1.375 0.000 A 26 LEU CA C 13 58.308 0.000 A 26 LEU CDy C 13 23.944 0.000 A 26 LEU CG C 13 27.113 0.000 A 26 LEU N N 15 122.841 0.000 A 27 GLN H H 1 7.776 0.000 A 27 GLN HA H 1 4.052 0.000 A 27 GLN HBy H 1 2.333 0.000 A 27 GLN HBx H 1 2.118 0.000 A 27 GLN HGx H 1 2.381 0.000 A 27 GLN HGy H 1 2.381 0.000 A 27 GLN CA C 13 58.886 0.000 A 27 GLN N N 15 118.984 0.000 A 28 GLU H H 1 8.212 0.000 A 28 GLU HA H 1 4.035 0.000 A 28 GLU HBx H 1 2.092 0.000 A 28 GLU HBy H 1 2.092 0.000 A 28 GLU HGy H 1 2.526 0.000 A 28 GLU HGx H 1 2.408 0.000 A 28 GLU CA C 13 58.854 0.000 A 28 GLU N N 15 118.687 0.000 A 29 CYS H H 1 7.995 0.000 A 29 CYS HA H 1 4.175 0.000 A 29 CYS HBy H 1 3.395 0.000 A 29 CYS HBx H 1 3.021 0.000 A 29 CYS CA C 13 60.551 0.000 A 29 CYS CB C 13 35.830 0.000 A 29 CYS N N 15 120.521 0.000 A 30 GLN H H 1 8.554 0.000 A 30 GLN HA H 1 3.846 0.000 A 30 GLN HBy H 1 2.224 0.000 A 30 GLN HBx H 1 2.059 0.000 A 30 GLN HE2y H 1 6.925 0.000 A 30 GLN HE2x H 1 6.703 0.000 A 30 GLN HGy H 1 2.594 0.000 A 30 GLN HGx H 1 2.129 0.000 A 30 GLN CA C 13 59.825 0.000 A 30 GLN CB C 13 27.770 0.000 A 30 GLN N N 15 118.660 0.000 A 31 GLN H H 1 8.351 0.000 A 31 GLN HA H 1 4.111 0.000 A 31 GLN HBy H 1 2.181 0.000 A 31 GLN HBx H 1 2.152 0.000 A 31 GLN HGy H 1 2.462 0.000 A 31 GLN HGx H 1 2.363 0.000 A 31 GLN CA C 13 58.489 0.000 A 31 GLN CG C 13 33.908 0.000 A 31 GLN N N 15 120.872 0.000 A 32 ARG H H 1 8.070 0.000 A 32 ARG HA H 1 4.151 0.000 A 32 ARG HBy H 1 2.044 0.000 A 32 ARG HBx H 1 1.971 0.000 A 32 ARG HDx H 1 3.198 0.000 A 32 ARG HDy H 1 3.198 0.000 A 32 ARG HE H 1 7.224 0.000 A 32 ARG HGy H 1 1.814 0.000 A 32 ARG HGx H 1 1.608 0.000 A 32 ARG CA C 13 59.808 0.000 A 32 ARG CG C 13 27.837 0.000 A 32 ARG N N 15 121.047 0.000 A 33 CYS H H 1 8.013 0.000 A 33 CYS HA H 1 4.429 0.000 A 33 CYS HBy H 1 3.192 0.000 A 33 CYS HBx H 1 3.012 0.000 A 33 CYS CA C 13 56.914 0.000 A 33 CYS CB C 13 36.769 0.000 A 33 CYS N N 15 117.204 0.000 A 34 GLN H H 1 8.019 0.000 A 34 GLN HA H 1 4.027 0.000 A 34 GLN HBy H 1 2.268 0.000 A 34 GLN HBx H 1 2.189 0.000 A 34 GLN HE2y H 1 7.365 0.000 A 34 GLN HE2x H 1 6.650 0.000 A 34 GLN HGy H 1 2.550 0.000 A 34 GLN HGx H 1 2.430 0.000 A 34 GLN CA C 13 57.997 0.000 A 34 GLN CG C 13 33.091 0.000 A 34 GLN N N 15 121.330 0.000 A 35 GLN H H 1 8.594 0.000 A 35 GLN HA H 1 4.066 0.000 A 35 GLN HBy H 1 2.220 0.000 A 35 GLN HBx H 1 2.088 0.000 A 35 GLN HE2y H 1 7.446 0.000 A 35 GLN HE2x H 1 6.769 0.000 A 35 GLN HGy H 1 2.542 0.000 A 35 GLN HGx H 1 2.388 0.000 A 35 GLN CA C 13 59.468 0.000 A 35 GLN N N 15 119.928 0.000 A 36 GLU H H 1 8.073 0.000 A 36 GLU HA H 1 4.126 0.000 A 36 GLU HBy H 1 2.165 0.000 A 36 GLU HBx H 1 2.031 0.000 A 36 GLU HGx H 1 2.371 0.000 A 36 GLU HGy H 1 2.371 0.000 A 36 GLU CA C 13 60.422 0.000 A 36 GLU N N 15 119.456 0.000 A 37 TYR H H 1 7.796 0.000 A 37 TYR HA H 1 4.450 0.000 A 37 TYR HBy H 1 3.184 0.000 A 37 TYR HBx H 1 3.089 0.000 A 37 TYR HDx H 1 7.070 0.000 A 37 TYR HDy H 1 7.070 0.000 A 37 TYR HEx H 1 6.688 0.000 A 37 TYR HEy H 1 6.688 0.000 A 37 TYR CA C 13 60.503 0.000 A 37 TYR CB C 13 38.996 0.000 A 37 TYR N N 15 120.467 0.000 A 38 GLN H H 1 8.335 0.000 A 38 GLN HA H 1 3.767 0.000 A 38 GLN HBy H 1 2.119 0.000 A 38 GLN HBx H 1 2.081 0.000 A 38 GLN HE2x H 1 7.062 0.000 A 38 GLN HGy H 1 2.540 0.000 A 38 GLN HGx H 1 2.515 0.000 A 38 GLN CA C 13 58.286 0.000 A 38 GLN N N 15 120.036 0.000 A 39 ARG H H 1 7.925 0.000 A 39 ARG HA H 1 4.080 0.000 A 39 ARG HBy H 1 1.887 0.000 A 39 ARG HBx H 1 1.695 0.000 A 39 ARG HDx H 1 3.157 0.000 A 39 ARG HDy H 1 3.157 0.000 A 39 ARG HE H 1 7.287 0.000 A 39 ARG HGx H 1 1.531 0.000 A 39 ARG HGy H 1 1.531 0.000 A 39 ARG CA C 13 59.352 0.000 A 39 ARG CG C 13 27.529 0.000 A 39 ARG N N 15 119.375 0.000 A 40 GLU H H 1 7.985 0.000 A 40 GLU HA H 1 4.073 0.000 A 40 GLU HBy H 1 2.608 0.000 A 40 GLU HBx H 1 2.344 0.000 A 40 GLU HGy H 1 2.054 0.000 A 40 GLU HGx H 1 2.028 0.000 A 40 GLU CA C 13 55.620 0.000 A 40 GLU N N 15 119.092 0.000 A 41 LYS H H 1 8.084 0.000 A 41 LYS HA H 1 4.056 0.000 A 41 LYS HBx H 1 1.530 0.000 A 41 LYS HBy H 1 1.530 0.000 A 41 LYS HGx H 1 1.126 0.000 A 41 LYS HGy H 1 1.126 0.000 A 41 LYS CA C 13 57.346 0.000 A 41 LYS CB C 13 31.671 0.000 A 41 LYS CG C 13 23.773 0.000 A 41 LYS N N 15 119.456 0.000 A 42 GLY H H 1 7.923 0.000 A 42 GLY HAy H 1 3.966 0.000 A 42 GLY HAx H 1 3.878 0.000 A 42 GLY CA C 13 45.487 0.000 A 42 GLY N N 15 107.204 0.000 A 43 GLN H H 1 7.890 0.000 A 43 GLN HA H 1 4.286 0.000 A 43 GLN HBy H 1 2.057 0.000 A 43 GLN HBx H 1 1.936 0.000 A 43 GLN HE2y H 1 7.403 0.000 A 43 GLN HE2x H 1 6.812 0.000 A 43 GLN HGx H 1 2.311 0.000 A 43 GLN HGy H 1 2.311 0.000 A 43 GLN CA C 13 55.782 0.000 A 43 GLN CB C 13 29.150 0.000 A 43 GLN N N 15 119.051 0.000 A 44 HIS H H 1 8.537 0.000 A 44 HIS HA H 1 4.697 0.000 A 44 HIS HBy H 1 3.254 0.000 A 44 HIS HBx H 1 3.149 0.000 A 44 HIS HD2 H 1 7.243 0.000 A 44 HIS HE1 H 1 7.241 0.000 A 44 HIS CA C 13 55.248 0.000 A 44 HIS CB C 13 28.795 0.000 A 44 HIS N N 15 119.092 0.000 A 45 GLN H H 1 8.188 0.000 A 45 GLN HA H 1 4.259 0.000 A 45 GLN HBy H 1 2.018 0.000 A 45 GLN HBx H 1 1.906 0.000 A 45 GLN HGy H 1 2.309 0.000 A 45 GLN HGx H 1 2.267 0.000 A 45 GLN CA C 13 55.866 0.000 A 45 GLN CG C 13 33.671 0.000 A 45 GLN N N 15 120.359 0.000 A 46 GLY H H 1 8.470 0.000 A 46 GLY HAx H 1 3.927 0.000 A 46 GLY HAy H 1 3.927 0.000 A 46 GLY CA C 13 45.136 0.000 A 46 GLY N N 15 109.948 0.000 A 47 GLU H H 1 8.334 0.000 A 47 GLU HA H 1 4.443 0.000 A 47 GLU HBy H 1 2.101 0.000 A 47 GLU HBx H 1 1.945 0.000 A 47 GLU HGx H 1 2.393 0.000 A 47 GLU HGy H 1 2.393 0.000 A 47 GLU CA C 13 55.831 0.000 A 47 GLU N N 15 117.446 0.000 A 48 THR H H 1 8.258 0.000 A 48 THR HA H 1 4.360 0.000 A 48 THR HB H 1 4.189 0.000 A 48 THR HG2% H 1 1.128 0.000 A 48 THR CA C 13 61.577 0.000 A 48 THR CB C 13 69.771 0.000 A 48 THR N N 15 114.803 0.000 A 49 ASN H H 1 8.186 0.000 A 49 ASN HA H 1 4.540 0.000 A 49 ASN HBy H 1 2.737 0.000 A 49 ASN HBx H 1 2.664 0.000 A 49 ASN CA C 13 54.073 0.000 A 49 ASN CB C 13 39.805 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 48 THR H A 48 THR HB 1.0 1.8 3.66 2 2 A 48 THR H A 48 THR HG2% 1.0 1.8 4.74 3 3 A 48 THR H A 47 GLU HA 1.0 1.8 3.10 4 4 A 25 ARG H A 24 GLN HGx 1.0 1.8 4.62 5 4 A 24 GLN HGy A 25 ARG H 1.0 1.8 4.62 6 5 A 47 GLU H A 47 GLU HGx 1.0 1.8 4.83 7 5 A 47 GLU H A 47 GLU HGy 1.0 1.8 4.83 8 6 A 47 GLU H A 46 GLY HAx 1.0 1.8 2.92 9 6 A 47 GLU H A 46 GLY HAy 1.0 1.8 2.92 10 7 A 44 HIS H A 44 HIS HBy 1.0 1.8 3.84 11 8 A 44 HIS H A 44 HIS HBx 1.0 1.8 3.84 12 9 A 45 GLN H A 45 GLN HGy 1.0 1.8 4.83 13 10 A 46 GLY H A 46 GLY HAx 1.0 1.8 2.60 14 10 A 46 GLY HAy A 46 GLY H 1.0 1.8 2.60 15 11 A 10 LEU H A 10 LEU HBx 1.0 1.8 2.58 16 12 A 10 LEU H A 10 LEU HBy 1.0 1.8 2.86 17 13 A 48 THR HB A 49 ASN H 1.0 1.8 4.54 18 14 A 43 GLN H A 43 GLN HGx 1.0 1.8 3.25 19 14 A 43 GLN H A 43 GLN HGy 1.0 1.8 3.25 20 15 A 41 LYS HA A 42 GLY H 1.0 1.8 3.57 21 16 A 41 LYS H A 41 LYS HGx 1.0 1.8 3.02 22 16 A 41 LYS H A 41 LYS HGy 1.0 1.8 3.02 23 17 A 44 HIS H A 43 GLN HA 1.0 1.8 2.80 24 18 A 39 ARG H A 39 ARG HA 1.0 1.8 2.86 25 19 A 39 ARG H A 39 ARG HBy 1.0 1.8 2.66 26 19 A 39 ARG H A 39 ARG HBx 1.0 1.8 2.66 27 20 A 42 GLY H A 41 LYS HBx 1.0 1.8 3.58 28 20 A 42 GLY H A 41 LYS HBy 1.0 1.8 3.58 29 21 A 47 GLU H A 46 GLY H 1.0 1.8 5.50 30 22 A 42 GLY H A 41 LYS H 1.0 1.8 3.06 31 23 A 38 GLN H A 38 GLN HGy 1.0 1.8 4.01 32 24 A 38 GLN H A 38 GLN HBy 1.0 1.8 3.97 33 25 A 38 GLN H A 38 GLN HBx 1.0 1.8 3.97 34 26 A 37 TYR H A 37 TYR HBy 1.0 1.8 2.75 35 27 A 37 TYR H A 37 TYR HBx 1.0 1.8 2.75 36 28 A 38 GLN H A 38 GLN HA 1.0 1.8 2.91 37 29 A 45 GLN H A 46 GLY H 1.0 1.8 5.50 38 30 A 23 GLY H A 23 GLY HAx 1.0 1.8 2.42 39 31 A 24 GLN H A 24 GLN HGx 1.0 1.8 4.25 40 31 A 24 GLN HGy A 24 GLN H 1.0 1.8 4.25 41 32 A 23 GLY H A 24 GLN H 1.0 1.8 4.74 42 33 A 25 ARG H A 24 GLN H 1.0 1.8 2.88 43 34 A 25 ARG H A 25 ARG HGy 1.0 1.8 3.43 44 35 A 25 ARG H A 25 ARG HGx 1.0 1.8 3.43 45 36 A 23 GLY HAx A 24 GLN H 1.0 1.8 3.25 46 37 A 23 GLY H A 22 GLN H 1.0 1.8 4.51 47 38 A 22 GLN H A 22 GLN HGx 1.0 1.8 3.80 48 39 A 22 GLN H A 21 GLN HBx 1.0 1.8 2.85 49 40 A 23 GLY H A 22 GLN HA 1.0 1.8 2.56 50 41 A 23 GLY H A 22 GLN HBy 1.0 1.8 3.60 51 42 A 23 GLY H A 22 GLN HBx 1.0 1.8 3.60 52 43 A 34 GLN H A 34 GLN HBy 1.0 1.8 2.60 53 44 A 35 GLN H A 34 GLN HGy 1.0 1.8 4.50 54 44 A 34 GLN HGx A 35 GLN H 1.0 1.8 4.50 55 45 A 26 LEU H A 26 LEU HA 1.0 1.8 2.88 56 46 A 26 LEU H A 26 LEU HBy 1.0 1.8 2.93 57 47 A 25 ARG H A 26 LEU H 1.0 1.8 2.93 58 48 A 26 LEU H A 27 GLN H 1.0 1.8 2.80 59 49 A 27 GLN H A 27 GLN HGx 1.0 1.8 3.44 60 49 A 27 GLN H A 27 GLN HGy 1.0 1.8 3.44 61 50 A 27 GLN H A 28 GLU H 1.0 1.8 2.91 62 51 A 28 GLU H A 28 GLU HGy 1.0 1.8 3.55 63 52 A 28 GLU H A 28 GLU HGx 1.0 1.8 3.55 64 53 A 44 HIS H A 45 GLN H 1.0 1.8 3.69 65 54 A 22 GLN H A 21 GLN HA 1.0 1.8 2.85 66 55 A 20 GLU H A 20 GLU HGy 1.0 1.8 3.32 67 56 A 20 GLU H A 20 GLU HBx 1.0 1.8 3.74 68 57 A 20 GLU H A 20 GLU HBy 1.0 1.8 2.71 69 58 A 21 GLN HBx A 21 GLN H 1.0 1.8 3.88 70 59 A 21 GLN H A 21 GLN HBy 1.0 1.8 3.01 71 60 A 22 GLN H A 22 GLN HGy 1.0 1.8 3.80 72 61 A 19 SER H A 19 SER HBy 1.0 1.8 3.10 73 62 A 22 GLN H A 21 GLN HBy 1.0 1.8 3.64 74 63 A 20 GLU H A 20 GLU HGx 1.0 1.8 3.32 75 64 A 20 GLU H A 21 GLN H 1.0 1.8 2.55 76 65 A 20 GLU H A 19 SER H 1.0 1.8 2.75 77 66 A 28 GLU H A 29 CYS H 1.0 1.8 2.86 78 67 A 29 CYS H A 29 CYS HA 1.0 1.8 2.94 79 68 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.02 80 69 A 29 CYS H A 29 CYS HBy 1.0 1.8 2.58 81 70 A 30 GLN H A 30 GLN HA 1.0 1.8 2.91 82 71 A 29 CYS H A 30 GLN H 1.0 1.8 3.03 83 72 A 29 CYS HBx A 30 GLN H 1.0 1.8 2.89 84 73 A 20 GLU H A 19 SER HBy 1.0 1.8 3.99 85 74 A 20 GLU H A 19 SER HBx 1.0 1.8 3.99 86 75 A 15 ARG H A 14 GLN HBy 1.0 1.8 4.32 87 76 A 20 GLU HBx A 21 GLN H 1.0 1.8 4.75 88 77 A 20 GLU HBy A 21 GLN H 1.0 1.8 3.54 89 78 A 18 GLN H A 18 GLN HGy 1.0 1.8 3.25 90 79 A 19 SER H A 18 GLN H 1.0 1.8 5.50 91 80 A 18 GLN H A 17 CYS HA 1.0 1.8 3.56 92 81 A 18 GLN H A 17 CYS H 1.0 1.8 2.98 93 82 A 38 GLN H A 38 GLN HGx 1.0 1.8 4.01 94 83 A 38 GLN H A 37 TYR H 1.0 1.8 2.94 95 84 A 7 TYR H A 7 TYR HBy 1.0 1.8 2.97 96 85 A 7 TYR H A 7 TYR HBx 1.0 1.8 3.04 97 86 A 8 LYS H A 8 LYS HBy 1.0 1.8 2.41 98 86 A 8 LYS H A 8 LYS HBx 1.0 1.8 2.41 99 87 A 8 LYS H A 8 LYS HDx 1.0 1.8 4.60 100 87 A 8 LYS H A 8 LYS HDy 1.0 1.8 4.60 101 88 A 41 LYS H A 41 LYS HDx 1.0 1.8 5.18 102 88 A 41 LYS H A 41 LYS HDy 1.0 1.8 5.18 103 89 A 36 GLU H A 36 GLU HBy 1.0 1.8 2.72 104 90 A 30 GLN HA A 31 GLN H 1.0 1.8 3.56 105 91 A 31 GLN H A 31 GLN HBy 1.0 1.8 3.16 106 92 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.16 107 93 A 35 GLN H A 35 GLN HA 1.0 1.8 2.85 108 94 A 35 GLN H A 35 GLN HBy 1.0 1.8 2.84 109 95 A 35 GLN H A 35 GLN HBx 1.0 1.8 3.78 110 96 A 32 ARG H A 32 ARG HGy 1.0 1.8 3.71 111 97 A 32 ARG H A 32 ARG HGx 1.0 1.8 3.71 112 98 A 39 ARG H A 38 GLN H 1.0 1.8 3.01 113 99 A 25 ARG H A 25 ARG HDx 1.0 1.8 4.93 114 99 A 25 ARG H A 25 ARG HDy 1.0 1.8 4.93 115 100 A 7 TYR HBy A 8 LYS H 1.0 1.8 3.96 116 101 A 7 TYR HBx A 8 LYS H 1.0 1.8 3.06 117 102 A 9 ARG H A 9 ARG HBx 1.0 1.8 2.55 118 102 A 9 ARG H A 9 ARG HBy 1.0 1.8 2.55 119 103 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.84 120 104 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.84 121 105 A 26 LEU H A 26 LEU HBx 1.0 1.8 2.70 122 106 A 26 LEU H A 26 LEU HG 1.0 1.8 4.63 123 107 A 26 LEU H A 26 LEU HDx% 1.0 1.8 4.37 124 108 A 26 LEU H A 26 LEU HDy% 1.0 1.8 4.37 125 109 A 27 GLN H A 26 LEU HDy% 1.0 1.8 5.06 126 110 A 27 GLN H A 26 LEU HDx% 1.0 1.8 5.06 127 111 A 27 GLN H A 26 LEU HG 1.0 1.8 3.75 128 112 A 27 GLN H A 26 LEU HBx 1.0 1.8 2.94 129 113 A 23 GLY H A 26 LEU HBy 1.0 1.8 4.56 130 114 A 25 ARG HE A 25 ARG HBx 1.0 1.8 5.23 131 115 A 21 GLN HE2y A 21 GLN HGy 1.0 1.8 3.96 132 116 A 21 GLN HE2y A 21 GLN HGx 1.0 1.8 3.96 133 117 A 21 GLN HE2x A 21 GLN HGy 1.0 1.8 3.96 134 118 A 21 GLN HE2x A 21 GLN HGx 1.0 1.8 3.96 135 119 A 22 GLN H A 21 GLN H 1.0 1.8 4.66 136 120 A 6 SER H A 5 LYS HBy 1.0 1.8 4.12 137 121 A 6 SER H A 5 LYS HBx 1.0 1.8 4.12 138 122 A 10 LEU H A 10 LEU HDx% 1.0 1.8 4.28 139 123 A 10 LEU H A 10 LEU HDy% 1.0 1.8 4.28 140 124 A 11 GLN H A 10 LEU HDy% 1.0 1.8 4.33 141 125 A 11 GLN H A 10 LEU HDx% 1.0 1.8 4.33 142 126 A 11 GLN H A 10 LEU HG 1.0 1.8 4.60 143 127 A 10 LEU HBy A 11 GLN H 1.0 1.8 3.91 144 128 A 10 LEU HBx A 11 GLN H 1.0 1.8 2.96 145 129 A 11 GLN H A 11 GLN HBy 1.0 1.8 4.17 146 129 A 11 GLN H A 11 GLN HBx 1.0 1.8 4.17 147 130 A 9 ARG HE A 9 ARG HGx 1.0 1.8 3.98 148 131 A 9 ARG HE A 9 ARG HGy 1.0 1.8 3.98 149 132 A 9 ARG HE A 9 ARG HBx 1.0 1.8 3.42 150 132 A 9 ARG HBy A 9 ARG HE 1.0 1.8 3.42 151 133 A 9 ARG HE A 9 ARG HDx 1.0 1.8 2.75 152 133 A 9 ARG HE A 9 ARG HDy 1.0 1.8 2.75 153 134 A 10 LEU H A 9 ARG HDx 1.0 1.8 5.00 154 134 A 10 LEU H A 9 ARG HDy 1.0 1.8 5.00 155 135 A 10 LEU H A 9 ARG HBx 1.0 1.8 3.59 156 135 A 10 LEU H A 9 ARG HBy 1.0 1.8 3.59 157 136 A 2 GLY HAy A 3 PRO HDx 1.0 1.8 2.66 158 136 A 3 PRO HDy A 2 GLY HAy 1.0 1.8 2.66 159 137 A 4 ASP H A 4 ASP HBx 1.0 1.8 2.61 160 137 A 4 ASP H A 4 ASP HBy 1.0 1.8 2.61 161 138 A 4 ASP H A 3 PRO HBy 1.0 1.8 3.95 162 139 A 4 ASP H A 3 PRO HGx 1.0 1.8 4.35 163 139 A 4 ASP H A 3 PRO HGy 1.0 1.8 4.35 164 140 A 4 ASP H A 3 PRO HBx 1.0 1.8 3.95 165 141 A 4 ASP H A 3 PRO HA 1.0 1.8 2.60 166 142 A 4 ASP H A 3 PRO HDx 1.0 1.8 5.50 167 142 A 3 PRO HDy A 4 ASP H 1.0 1.8 5.50 168 143 A 4 ASP HA A 5 LYS H 1.0 1.8 2.65 169 144 A 5 LYS H A 4 ASP HBx 1.0 1.8 2.99 170 144 A 4 ASP HBy A 5 LYS H 1.0 1.8 2.99 171 145 A 5 LYS H A 5 LYS HDx 1.0 1.8 4.62 172 145 A 5 LYS H A 5 LYS HDy 1.0 1.8 4.62 173 146 A 5 LYS H A 5 LYS HGy 1.0 1.8 3.53 174 147 A 5 LYS H A 5 LYS HGx 1.0 1.8 3.53 175 148 A 6 SER H A 6 SER HBx 1.0 1.8 2.61 176 148 A 6 SER H A 6 SER HBy 1.0 1.8 2.61 177 149 A 7 TYR H A 6 SER HBx 1.0 1.8 3.45 178 149 A 7 TYR H A 6 SER HBy 1.0 1.8 3.45 179 150 A 7 TYR H A 4 ASP HBx 1.0 1.8 3.79 180 150 A 7 TYR H A 4 ASP HBy 1.0 1.8 3.79 181 151 A 7 TYR HBy A 4 ASP H 1.0 1.8 4.30 182 152 A 7 TYR HBx A 4 ASP H 1.0 1.8 3.95 183 153 A 8 LYS H A 6 SER HA 1.0 1.8 4.63 184 154 A 9 ARG H A 6 SER HA 1.0 1.8 3.96 185 155 A 13 CYS H A 13 CYS HBx 1.0 1.8 2.81 186 156 A 13 CYS H A 13 CYS HBy 1.0 1.8 2.85 187 157 A 13 CYS HBx A 14 GLN H 1.0 1.8 2.77 188 158 A 13 CYS H A 10 LEU HA 1.0 1.8 3.75 189 159 A 12 GLU H A 12 GLU HGy 1.0 1.8 3.58 190 160 A 12 GLU H A 12 GLU HGx 1.0 1.8 3.58 191 161 A 13 CYS H A 12 GLU HGx 1.0 1.8 5.24 192 162 A 13 CYS H A 12 GLU HGy 1.0 1.8 5.24 193 163 A 4 ASP H A 5 LYS H 1.0 1.8 4.60 194 164 A 7 TYR H A 6 SER H 1.0 1.8 3.35 195 165 A 12 GLU H A 11 GLN HBy 1.0 1.8 3.53 196 165 A 11 GLN HBx A 12 GLU H 1.0 1.8 3.53 197 166 A 7 TYR H A 5 LYS H 1.0 1.8 5.12 198 167 A 15 ARG H A 15 ARG HBx 1.0 1.8 2.48 199 167 A 15 ARG H A 15 ARG HBy 1.0 1.8 2.48 200 168 A 15 ARG H A 15 ARG HGy 1.0 1.8 3.69 201 169 A 15 ARG H A 15 ARG HGx 1.0 1.8 3.69 202 170 A 15 ARG H A 15 ARG HDx 1.0 1.8 5.50 203 170 A 15 ARG H A 15 ARG HDy 1.0 1.8 5.50 204 171 A 15 ARG HE A 15 ARG HBx 1.0 1.8 3.82 205 171 A 15 ARG HBy A 15 ARG HE 1.0 1.8 3.82 206 172 A 15 ARG H A 15 ARG HA 1.0 1.8 2.87 207 173 A 15 ARG HE A 15 ARG HA 1.0 1.8 5.50 208 174 A 15 ARG H A 14 GLN HBx 1.0 1.8 4.32 209 175 A 15 ARG H A 14 GLN H 1.0 1.8 2.82 210 176 A 17 CYS H A 17 CYS HBx 1.0 1.8 3.61 211 177 A 18 GLN H A 17 CYS HBx 1.0 1.8 3.59 212 178 A 16 ARG H A 16 ARG HDx 1.0 1.8 4.11 213 178 A 16 ARG H A 16 ARG HDy 1.0 1.8 4.11 214 179 A 16 ARG H A 16 ARG HBx 1.0 1.8 2.61 215 179 A 16 ARG H A 16 ARG HBy 1.0 1.8 2.61 216 180 A 17 CYS H A 16 ARG H 1.0 1.8 3.84 217 181 A 28 GLU H A 29 CYS HBy 1.0 1.8 5.34 218 182 A 28 GLU H A 29 CYS HBx 1.0 1.8 5.12 219 183 A 30 GLN H A 31 GLN H 1.0 1.8 2.85 220 184 A 37 TYR H A 36 GLU H 1.0 1.8 2.90 221 185 A 8 LYS H A 9 ARG H 1.0 1.8 3.27 222 186 A 11 GLN H A 12 GLU H 1.0 1.8 3.57 223 187 A 7 TYR H A 8 LYS H 1.0 1.8 2.95 224 188 A 13 CYS H A 12 GLU H 1.0 1.8 3.13 225 189 A 13 CYS H A 14 GLN H 1.0 1.8 2.94 226 190 A 41 LYS H A 40 GLU H 1.0 1.8 3.71 227 191 A 10 LEU H A 8 LYS H 1.0 1.8 5.03 228 192 A 10 LEU H A 12 GLU H 1.0 1.8 5.38 229 193 A 10 LEU H A 9 ARG H 1.0 1.8 2.99 230 194 A 10 LEU H A 11 GLN H 1.0 1.8 3.24 231 195 A 39 ARG H A 39 ARG HDx 1.0 1.8 4.33 232 195 A 39 ARG H A 39 ARG HDy 1.0 1.8 4.33 233 196 A 14 GLN H A 11 GLN HA 1.0 1.8 4.01 234 197 A 14 GLN H A 10 LEU HA 1.0 1.8 4.22 235 198 A 39 ARG H A 40 GLU H 1.0 1.8 4.40 236 199 A 1 ARG HA A 2 GLY H 1.0 1.8 3.09 237 200 A 17 CYS H A 17 CYS HBy 1.0 1.8 2.57 238 201 A 34 GLN H A 34 GLN HGy 1.0 1.8 3.01 239 201 A 34 GLN H A 34 GLN HGx 1.0 1.8 3.01 240 202 A 34 GLN H A 35 GLN H 1.0 1.8 2.89 241 203 A 35 GLN H A 36 GLU H 1.0 1.8 2.90 242 204 A 29 CYS HBy A 30 GLN H 1.0 1.8 3.71 243 205 A 25 ARG HE A 25 ARG HBy 1.0 1.8 5.23 244 206 A 32 ARG H A 32 ARG HDx 1.0 1.8 4.31 245 206 A 32 ARG H A 32 ARG HDy 1.0 1.8 4.31 246 207 A 32 ARG H A 33 CYS H 1.0 1.8 4.45 247 208 A 31 GLN H A 32 ARG H 1.0 1.8 3.02 248 209 A 10 LEU H A 7 TYR HA 1.0 1.8 3.64 249 210 A 39 ARG H A 38 GLN HBy 1.0 1.8 3.93 250 211 A 31 GLN H A 33 CYS H 1.0 1.8 5.14 251 212 A 6 SER H A 5 LYS H 1.0 1.8 3.06 252 213 A 47 GLU H A 49 ASN H 1.0 1.8 5.50 253 214 A 44 HIS H A 43 GLN H 1.0 1.8 5.50 254 215 A 39 ARG HA A 39 ARG HE 1.0 1.8 5.19 255 216 A 39 ARG HE A 39 ARG HBy 1.0 1.8 3.95 256 216 A 39 ARG HBx A 39 ARG HE 1.0 1.8 3.95 257 217 A 45 GLN H A 45 GLN HGx 1.0 1.8 4.83 258 218 A 7 TYR HBx A 37 TYR HE% 1.0 1.8 5.40 259 219 A 7 TYR HBy A 37 TYR HE% 1.0 1.8 3.58 260 220 A 7 TYR HA A 37 TYR HE% 1.0 1.8 3.38 261 221 A 7 TYR HA A 7 TYR HD% 1.0 1.8 2.95 262 222 A 37 TYR HA A 37 TYR HD% 1.0 1.8 2.90 263 223 A 37 TYR HE% A 37 TYR HA 1.0 1.8 4.70 264 224 A 10 LEU HA A 37 TYR HD% 1.0 1.8 5.22 265 225 A 10 LEU HBy A 37 TYR HD% 1.0 1.8 3.09 266 226 A 10 LEU HG A 37 TYR HD% 1.0 1.8 5.19 267 227 A 7 TYR HE% A 10 LEU HDy% 1.0 1.8 5.50 268 228 A 37 TYR HE% A 10 LEU HDy% 1.0 1.8 5.50 269 229 A 7 TYR HE% A 10 LEU HDx% 1.0 1.8 5.50 270 230 A 37 TYR HE% A 10 LEU HDx% 1.0 1.8 5.50 271 231 A 10 LEU HBy A 37 TYR HE% 1.0 1.8 4.60 272 232 A 10 LEU HBx A 7 TYR HE% 1.0 1.8 5.27 273 233 A 10 LEU HBx A 37 TYR HE% 1.0 1.8 5.47 274 234 A 10 LEU HBx A 37 TYR HD% 1.0 1.8 3.87 275 235 A 30 GLN HE2y A 26 LEU HDy% 1.0 1.8 3.81 276 236 A 30 GLN HE2y A 26 LEU HDx% 1.0 1.8 3.81 277 237 A 26 LEU HG A 30 GLN HE2y 1.0 1.8 4.16 278 238 A 26 LEU HG A 30 GLN HE2x 1.0 1.8 4.90 279 239 A 30 GLN HE2x A 26 LEU HDx% 1.0 1.8 4.08 280 240 A 30 GLN HE2x A 26 LEU HDy% 1.0 1.8 4.08 281 241 A 37 TYR H A 10 LEU HDx% 1.0 1.8 5.50 282 242 A 39 ARG H A 38 GLN HBx 1.0 1.8 3.93 283 243 A 38 GLN HA A 37 TYR HD% 1.0 1.8 4.20 284 244 A 14 GLN HE2y A 10 LEU HDy% 1.0 1.8 3.90 285 245 A 14 GLN HE2y A 10 LEU HDx% 1.0 1.8 3.90 286 246 A 10 LEU HG A 14 GLN HE2y 1.0 1.8 4.31 287 247 A 10 LEU HBy A 7 TYR HD% 1.0 1.8 5.50 288 248 A 10 LEU HBy A 14 GLN HE2y 1.0 1.8 5.50 289 249 A 10 LEU HG A 14 GLN HE2x 1.0 1.8 5.39 290 250 A 14 GLN HE2x A 10 LEU HDx% 1.0 1.8 4.12 291 251 A 14 GLN HE2x A 10 LEU HDy% 1.0 1.8 4.12 292 252 A 22 GLN H A 26 LEU HBy 1.0 1.8 3.95 293 253 A 22 GLN H A 26 LEU HDx% 1.0 1.8 5.11 294 254 A 26 LEU HBy A 30 GLN H 1.0 1.8 5.50 295 255 A 22 GLN H A 26 LEU HDy% 1.0 1.8 5.11 296 256 A 37 TYR H A 10 LEU HDy% 1.0 1.8 5.50 297 257 A 24 GLN H A 26 LEU H 1.0 1.8 4.31 298 258 A 23 GLY H A 26 LEU H 1.0 1.8 4.99 299 259 A 7 TYR H A 7 TYR HD% 1.0 1.8 4.35 300 260 A 7 TYR H A 37 TYR HE% 1.0 1.8 3.45 301 261 A 37 TYR H A 37 TYR HD% 1.0 1.8 4.36 302 262 A 38 GLN H A 37 TYR HD% 1.0 1.8 3.79 303 263 A 8 LYS H A 7 TYR HD% 1.0 1.8 4.15 304 264 A 30 GLN HA A 30 GLN HE2y 1.0 1.8 5.13 305 265 A 30 GLN HE2x A 30 GLN HBy 1.0 1.8 4.71 306 266 A 30 GLN HE2x A 30 GLN HBx 1.0 1.8 4.71 307 267 A 11 GLN HE2x A 11 GLN HBy 1.0 1.8 4.01 308 267 A 11 GLN HBx A 11 GLN HE2x 1.0 1.8 4.01 309 268 A 11 GLN HE2y A 11 GLN HBy 1.0 1.8 4.01 310 268 A 11 GLN HBx A 11 GLN HE2y 1.0 1.8 4.01 311 269 A 7 TYR HA A 37 TYR HD% 1.0 1.8 3.93 312 270 A 6 SER HA A 37 TYR HD% 1.0 1.8 5.50 313 271 A 17 CYS HBx A 30 GLN HE2y 1.0 1.8 5.16 314 272 A 17 CYS HBy A 30 GLN HE2y 1.0 1.8 5.50 315 273 A 30 GLN HE2y A 27 GLN HA 1.0 1.8 5.37 316 274 A 30 GLN HE2y A 14 GLN HA 1.0 1.8 5.50 317 275 A 7 TYR HD% A 8 LYS HA 1.0 1.8 3.77 318 276 A 2 GLY H A 1 ARG HBx 1.0 1.8 5.07 319 276 A 2 GLY H A 1 ARG HBy 1.0 1.8 5.07 320 277 A 1 ARG HE A 1 ARG HBx 1.0 1.8 5.50 321 277 A 1 ARG HBy A 1 ARG HE 1.0 1.8 5.50 322 278 A 17 CYS H A 16 ARG HBx 1.0 1.8 2.75 323 278 A 17 CYS H A 16 ARG HBy 1.0 1.8 2.75 324 279 A 17 CYS H A 16 ARG HGy 1.0 1.8 4.89 325 280 A 17 CYS H A 16 ARG HGx 1.0 1.8 4.89 326 281 A 16 ARG HE A 16 ARG HBx 1.0 1.8 3.23 327 281 A 16 ARG HBy A 16 ARG HE 1.0 1.8 3.23 328 282 A 39 ARG HA A 39 ARG HDx 1.0 1.8 4.89 329 282 A 39 ARG HA A 39 ARG HDy 1.0 1.8 4.89 330 283 A 16 ARG HA A 16 ARG HBx 1.0 1.8 2.97 331 283 A 16 ARG HBy A 16 ARG HA 1.0 1.8 2.97 332 284 A 15 ARG HA A 15 ARG HGy 1.0 1.8 3.99 333 285 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 3.39 334 285 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 3.39 335 285 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 3.39 336 285 A 16 ARG HDy A 16 ARG HBy 1.0 1.8 3.39 337 286 A 29 CYS HBx A 17 CYS HBx 1.0 1.8 3.93 338 287 A 17 CYS HBx A 14 GLN HA 1.0 1.8 4.59 339 288 A 26 LEU HA A 17 CYS HBx 1.0 1.8 4.98 340 289 A 34 GLN HBy A 35 GLN H 1.0 1.8 3.07 341 290 A 35 GLN H A 34 GLN HBx 1.0 1.8 3.66 342 291 A 36 GLU H A 33 CYS HA 1.0 1.8 3.94 343 292 A 35 GLN H A 33 CYS HA 1.0 1.8 5.50 344 293 A 36 GLU H A 35 GLN HBx 1.0 1.8 3.89 345 294 A 36 GLU H A 35 GLN HBy 1.0 1.8 3.21 346 295 A 34 GLN H A 31 GLN HA 1.0 1.8 3.81 347 296 A 17 CYS H A 14 GLN HA 1.0 1.8 3.55 348 297 A 30 GLN HA A 33 CYS H 1.0 1.8 3.70 349 298 A 35 GLN H A 32 ARG HA 1.0 1.8 3.88 350 299 A 30 GLN HA A 32 ARG H 1.0 1.8 4.85 351 300 A 34 GLN H A 31 GLN H 1.0 1.8 5.50 352 301 A 33 CYS H A 32 ARG HBy 1.0 1.8 4.05 353 302 A 33 CYS H A 32 ARG HBx 1.0 1.8 4.05 354 303 A 37 TYR H A 36 GLU HBx 1.0 1.8 3.28 355 304 A 37 TYR H A 36 GLU HBy 1.0 1.8 3.28 356 305 A 36 GLU H A 36 GLU HGx 1.0 1.8 3.46 357 305 A 36 GLU H A 36 GLU HGy 1.0 1.8 3.46 358 306 A 42 GLY H A 41 LYS HDx 1.0 1.8 5.50 359 306 A 42 GLY H A 41 LYS HDy 1.0 1.8 5.50 360 307 A 10 LEU H A 37 TYR HD% 1.0 1.8 4.37 361 308 A 4 ASP HA A 4 ASP HBx 1.0 1.8 2.59 362 308 A 4 ASP HBy A 4 ASP HA 1.0 1.8 2.59 363 309 A 32 ARG HA A 32 ARG HGy 1.0 1.8 3.88 364 310 A 5 LYS HA A 5 LYS HDx 1.0 1.8 4.76 365 310 A 5 LYS HDy A 5 LYS HA 1.0 1.8 4.76 366 311 A 5 LYS HA A 8 LYS HDx 1.0 1.8 5.09 367 311 A 8 LYS HDy A 5 LYS HA 1.0 1.8 5.09 368 312 A 6 SER HA A 6 SER HBx 1.0 1.8 2.56 369 312 A 6 SER HBy A 6 SER HA 1.0 1.8 2.56 370 313 A 9 ARG HA A 9 ARG HBx 1.0 1.8 2.82 371 313 A 9 ARG HBy A 9 ARG HA 1.0 1.8 2.82 372 314 A 9 ARG HA A 9 ARG HGy 1.0 1.8 3.88 373 315 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.88 374 316 A 22 GLN HA A 22 GLN HGy 1.0 1.8 3.94 375 317 A 22 GLN HA A 22 GLN HGx 1.0 1.8 3.94 376 318 A 24 GLN HA A 24 GLN HGx 1.0 1.8 3.27 377 318 A 24 GLN HGy A 24 GLN HA 1.0 1.8 3.27 378 319 A 25 ARG HA A 25 ARG HDx 1.0 1.8 3.70 379 319 A 25 ARG HDy A 25 ARG HA 1.0 1.8 3.70 380 320 A 1 ARG HA A 1 ARG HGx 1.0 1.8 3.83 381 320 A 1 ARG HA A 1 ARG HGy 1.0 1.8 3.83 382 321 A 26 LEU HA A 26 LEU HG 1.0 1.8 3.75 383 322 A 26 LEU HA A 26 LEU HBy 1.0 1.8 2.96 384 323 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 4.08 385 324 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 4.08 386 325 A 30 GLN HA A 30 GLN HGy 1.0 1.8 4.15 387 326 A 30 GLN HA A 30 GLN HGx 1.0 1.8 4.15 388 327 A 34 GLN HBy A 31 GLN HA 1.0 1.8 3.70 389 328 A 31 GLN HA A 34 GLN HGy 1.0 1.8 4.97 390 328 A 34 GLN HGx A 31 GLN HA 1.0 1.8 4.97 391 329 A 32 ARG HA A 32 ARG HGx 1.0 1.8 3.88 392 330 A 34 GLN HA A 34 GLN HGy 1.0 1.8 3.13 393 330 A 34 GLN HGx A 34 GLN HA 1.0 1.8 3.13 394 331 A 27 GLN HA A 27 GLN HGx 1.0 1.8 3.70 395 331 A 27 GLN HGy A 27 GLN HA 1.0 1.8 3.70 396 332 A 35 GLN HA A 35 GLN HBx 1.0 1.8 2.82 397 333 A 38 GLN HA A 38 GLN HGy 1.0 1.8 4.00 398 334 A 38 GLN HA A 38 GLN HGx 1.0 1.8 4.00 399 335 A 1 ARG HA A 1 ARG HDx 1.0 1.8 4.53 400 335 A 1 ARG HA A 1 ARG HDy 1.0 1.8 4.53 401 336 A 40 GLU HA A 40 GLU HGy 1.0 1.8 3.85 402 337 A 40 GLU HA A 40 GLU HGx 1.0 1.8 3.85 403 338 A 8 LYS HBy A 8 LYS HDx 1.0 1.8 3.96 404 338 A 8 LYS HDy A 8 LYS HBy 1.0 1.8 3.96 405 338 A 8 LYS HBx A 8 LYS HDy 1.0 1.8 3.96 406 338 A 8 LYS HBx A 8 LYS HDx 1.0 1.8 3.96 407 339 A 10 LEU HBx A 10 LEU HG 1.0 1.8 2.68 408 340 A 10 LEU HBx A 10 LEU HDx% 1.0 1.8 3.22 409 341 A 10 LEU HBy A 10 LEU HDx% 1.0 1.8 3.24 410 342 A 10 LEU HBx A 10 LEU HDy% 1.0 1.8 3.22 411 343 A 10 LEU HBy A 10 LEU HDy% 1.0 1.8 3.24 412 344 A 11 GLN HA A 11 GLN HBy 1.0 1.8 2.86 413 344 A 11 GLN HBx A 11 GLN HA 1.0 1.8 2.86 414 345 A 12 GLU HA A 12 GLU HGy 1.0 1.8 3.97 415 346 A 12 GLU HA A 12 GLU HGx 1.0 1.8 3.97 416 347 A 13 CYS HBy A 13 CYS HA 1.0 1.8 2.66 417 348 A 14 GLN HA A 14 GLN HGy 1.0 1.8 4.14 418 349 A 14 GLN HA A 14 GLN HGx 1.0 1.8 4.14 419 350 A 15 ARG HA A 15 ARG HDx 1.0 1.8 3.66 420 350 A 15 ARG HDy A 15 ARG HA 1.0 1.8 3.66 421 351 A 15 ARG HA A 15 ARG HGx 1.0 1.8 3.99 422 352 A 20 GLU HA A 20 GLU HGy 1.0 1.8 3.78 423 353 A 20 GLU HA A 20 GLU HGx 1.0 1.8 3.78 424 354 A 22 GLN HA A 26 LEU HBx 1.0 1.8 4.05 425 355 A 25 ARG HDy A 25 ARG HBy 1.0 1.8 3.60 426 355 A 25 ARG HBy A 25 ARG HDx 1.0 1.8 3.60 427 356 A 25 ARG HDy A 25 ARG HBx 1.0 1.8 3.60 428 356 A 25 ARG HBx A 25 ARG HDx 1.0 1.8 3.60 429 357 A 26 LEU HBx A 26 LEU HG 1.0 1.8 2.74 430 358 A 26 LEU HBx A 26 LEU HDx% 1.0 1.8 3.35 431 359 A 26 LEU HBy A 26 LEU HDx% 1.0 1.8 3.14 432 360 A 26 LEU HBy A 26 LEU HDy% 1.0 1.8 3.14 433 361 A 26 LEU HBx A 26 LEU HDy% 1.0 1.8 3.35 434 362 A 32 ARG HDy A 32 ARG HBy 1.0 1.8 3.91 435 362 A 32 ARG HBy A 32 ARG HDx 1.0 1.8 3.91 436 363 A 32 ARG HDy A 32 ARG HBx 1.0 1.8 3.91 437 363 A 32 ARG HBx A 32 ARG HDx 1.0 1.8 3.91 438 364 A 41 LYS HA A 41 LYS HGx 1.0 1.8 4.03 439 364 A 41 LYS HA A 41 LYS HGy 1.0 1.8 4.03 440 365 A 8 LYS HA A 8 LYS HGy 1.0 1.8 4.05 441 366 A 41 LYS HA A 41 LYS HDx 1.0 1.8 4.39 442 366 A 41 LYS HA A 41 LYS HDy 1.0 1.8 4.39 443 367 A 43 GLN HA A 43 GLN HGx 1.0 1.8 3.74 444 367 A 43 GLN HGy A 43 GLN HA 1.0 1.8 3.74 445 368 A 47 GLU HA A 47 GLU HGx 1.0 1.8 4.23 446 368 A 47 GLU HA A 47 GLU HGy 1.0 1.8 4.23 447 369 A 10 LEU HBx A 37 TYR HBy 1.0 1.8 5.50 448 370 A 21 GLN HBy A 17 CYS HBy 1.0 1.8 5.50 449 371 A 10 LEU HBx A 37 TYR HBx 1.0 1.8 5.50 450 372 A 37 TYR HBy A 10 LEU HDx% 1.0 1.8 4.08 451 373 A 10 LEU HDy% A 37 TYR HBy 1.0 1.8 4.08 452 374 A 10 LEU HDx% A 37 TYR HBx 1.0 1.8 4.08 453 375 A 10 LEU HDy% A 37 TYR HBx 1.0 1.8 4.08 454 376 A 41 LYS HBy A 41 LYS HEx 1.0 1.8 5.50 455 376 A 41 LYS HEx A 41 LYS HBx 1.0 1.8 5.50 456 377 A 41 LYS H A 41 LYS HEx 1.0 1.8 5.50 457 378 A 8 LYS HA A 8 LYS HGx 1.0 1.8 4.05 458 379 A 5 LYS H A 5 LYS HEx 1.0 1.8 5.50 459 379 A 5 LYS H A 5 LYS HEy 1.0 1.8 5.50 460 380 A 8 LYS HBy A 8 LYS HEx 1.0 1.8 4.92 461 380 A 8 LYS HBx A 8 LYS HEx 1.0 1.8 4.92 462 380 A 8 LYS HEy A 8 LYS HBy 1.0 1.8 4.92 463 380 A 8 LYS HBx A 8 LYS HEy 1.0 1.8 4.92 464 381 A 5 LYS HEy A 5 LYS HBy 1.0 1.8 5.50 465 381 A 5 LYS HBy A 5 LYS HEx 1.0 1.8 5.50 466 382 A 5 LYS HEy A 5 LYS HBx 1.0 1.8 5.50 467 382 A 5 LYS HBx A 5 LYS HEx 1.0 1.8 5.50 468 383 A 8 LYS H A 8 LYS HEx 1.0 1.8 4.86 469 383 A 8 LYS H A 8 LYS HEy 1.0 1.8 4.86 470 384 A 34 GLN HGx A 10 LEU HDx% 1.0 1.8 4.65 471 384 A 10 LEU HDx% A 34 GLN HGy 1.0 1.8 4.65 472 385 A 34 GLN HGx A 10 LEU HDy% 1.0 1.8 4.65 473 385 A 10 LEU HDy% A 34 GLN HGy 1.0 1.8 4.65 474 386 A 18 GLN H A 18 GLN HGx 1.0 1.8 3.25 475 387 A 18 GLN H A 18 GLN HBx 1.0 1.8 2.70 476 387 A 18 GLN H A 18 GLN HBy 1.0 1.8 2.70 477 388 A 18 GLN HBx A 26 LEU HDx% 1.0 1.8 4.67 478 388 A 18 GLN HBy A 26 LEU HDx% 1.0 1.8 4.67 479 389 A 26 LEU HDy% A 18 GLN HBx 1.0 1.8 4.67 480 389 A 18 GLN HBy A 26 LEU HDy% 1.0 1.8 4.67 481 390 A 18 GLN HGx A 26 LEU HDx% 1.0 1.8 4.51 482 391 A 18 GLN HGy A 26 LEU HDx% 1.0 1.8 4.51 483 392 A 26 LEU HDy% A 18 GLN HGy 1.0 1.8 4.51 484 393 A 26 LEU HDy% A 18 GLN HGx 1.0 1.8 4.51 485 394 A 41 LYS HBx A 41 LYS HGx 1.0 1.8 2.43 486 394 A 41 LYS HBy A 41 LYS HGx 1.0 1.8 2.43 487 394 A 41 LYS HGy A 41 LYS HBx 1.0 1.8 2.43 488 394 A 41 LYS HGy A 41 LYS HBy 1.0 1.8 2.43 489 395 A 10 LEU HBx A 7 TYR HA 1.0 1.8 5.50 490 396 A 21 GLN HBy A 18 GLN HA 1.0 1.8 5.50 491 397 A 26 LEU HA A 29 CYS HBx 1.0 1.8 3.44 492 398 A 30 GLN H A 17 CYS HBx 1.0 1.8 4.32 493 399 A 30 GLN H A 17 CYS HBy 1.0 1.8 4.32 494 400 A 18 GLN HA A 26 LEU HDy% 1.0 1.8 3.69 495 401 A 18 GLN HA A 26 LEU HDx% 1.0 1.8 3.69 496 402 A 34 GLN HA A 10 LEU HDx% 1.0 1.8 3.82 497 403 A 34 GLN HA A 10 LEU HDy% 1.0 1.8 3.82 498 404 A 22 GLN HA A 26 LEU HDx% 1.0 1.8 4.37 499 405 A 22 GLN HA A 26 LEU HDy% 1.0 1.8 4.37 500 406 A 40 GLU H A 41 LYS HBx 1.0 1.8 5.33 501 406 A 41 LYS HBy A 40 GLU H 1.0 1.8 5.33 502 407 A 2 GLY H A 1 ARG HDx 1.0 1.8 5.50 503 407 A 2 GLY H A 1 ARG HDy 1.0 1.8 5.50 504 408 A 9 ARG HA A 9 ARG HDx 1.0 1.8 4.68 505 408 A 9 ARG HDy A 9 ARG HA 1.0 1.8 4.68 506 409 A 37 TYR HE% A 6 SER HBx 1.0 1.8 2.83 507 409 A 6 SER HBy A 37 TYR HE% 1.0 1.8 2.83 508 410 A 37 TYR HD% A 6 SER HBx 1.0 1.8 3.28 509 410 A 6 SER HBy A 37 TYR HD% 1.0 1.8 3.28 510 411 A 41 LYS H A 38 GLN HA 1.0 1.8 3.97 511 412 A 13 CYS HBx A 10 LEU HA 1.0 1.8 3.58 512 413 A 1 ARG HBx A 1 ARG HDx 1.0 1.8 3.61 513 413 A 1 ARG HBy A 1 ARG HDx 1.0 1.8 3.61 514 413 A 1 ARG HDy A 1 ARG HBx 1.0 1.8 3.61 515 413 A 1 ARG HBy A 1 ARG HDy 1.0 1.8 3.61 516 414 A 39 ARG HBy A 39 ARG HDx 1.0 1.8 3.90 517 414 A 39 ARG HBx A 39 ARG HDx 1.0 1.8 3.90 518 414 A 39 ARG HDy A 39 ARG HBy 1.0 1.8 3.90 519 414 A 39 ARG HBx A 39 ARG HDy 1.0 1.8 3.90 520 415 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 3.80 521 415 A 9 ARG HBx A 9 ARG HDx 1.0 1.8 3.80 522 415 A 9 ARG HDy A 9 ARG HBx 1.0 1.8 3.80 523 415 A 9 ARG HBy A 9 ARG HDy 1.0 1.8 3.80 524 416 A 34 GLN HE2y A 10 LEU HDx% 1.0 1.8 6.21 525 417 A 34 GLN HE2y A 10 LEU HDy% 1.0 1.8 6.21 526 418 A 38 GLN HA A 41 LYS HBx 1.0 1.8 3.20 527 418 A 41 LYS HBy A 38 GLN HA 1.0 1.8 3.20 528 419 A 26 LEU HA A 21 GLN HBy 1.0 1.8 3.03 529 420 A 6 SER HA A 9 ARG HBx 1.0 1.8 4.05 530 420 A 9 ARG HBy A 6 SER HA 1.0 1.8 4.05 531 421 A 17 CYS HBy A 14 GLN HA 1.0 1.8 3.75 532 422 A 30 GLN HA A 17 CYS HBy 1.0 1.8 3.86 533 423 A 18 GLN H A 14 GLN HA 1.0 1.8 4.97 534 424 A 15 ARG H A 11 GLN HA 1.0 1.8 4.22 535 425 A 22 GLN HA A 26 LEU HBy 1.0 1.8 3.20 536 426 A 10 LEU HG A 10 LEU HA 1.0 1.8 3.86 537 427 A 18 GLN H A 16 ARG HA 1.0 1.8 4.12 538 428 A 42 GLY H A 41 LYS HGx 1.0 1.8 4.49 539 428 A 42 GLY H A 41 LYS HGy 1.0 1.8 4.49 540 429 A 10 LEU HBx A 7 TYR HD% 1.0 1.8 4.24 541 430 A 41 LYS H A 41 LYS HBx 1.0 1.8 2.86 542 430 A 41 LYS H A 41 LYS HBy 1.0 1.8 2.86 543 431 A 45 GLN H A 45 GLN HBy 1.0 1.8 3.56 544 432 A 45 GLN H A 45 GLN HBx 1.0 1.8 3.56 545 433 A 14 GLN H A 12 GLU H 1.0 1.8 4.96 546 434 A 14 GLN H A 16 ARG H 1.0 1.8 5.26 547 435 A 29 CYS H A 31 GLN H 1.0 1.8 4.45 548 436 A 38 GLN H A 40 GLU H 1.0 1.8 4.87 549 437 A 41 LYS H A 41 LYS HEy 1.0 1.8 5.50 550 438 A 41 LYS HBy A 41 LYS HEy 1.0 1.8 5.50 551 438 A 41 LYS HBx A 41 LYS HEy 1.0 1.8 5.50 552 439 A 38 GLN HA A 41 LYS HDx 1.0 1.8 5.50 553 439 A 38 GLN HA A 41 LYS HDy 1.0 1.8 5.50 554 440 A 38 GLN HA A 41 LYS HGx 1.0 1.8 4.35 555 440 A 41 LYS HGy A 38 GLN HA 1.0 1.8 4.35 556 441 A 4 ASP H A 3 PRO HBx 1.0 1.8 3.33 557 441 A 4 ASP H A 3 PRO HBy 1.0 1.8 3.33 558 442 A 5 LYS H A 5 LYS HBx 1.0 1.8 2.76 559 442 A 5 LYS H A 5 LYS HBy 1.0 1.8 2.76 560 443 A 5 LYS HA A 5 LYS HGx 1.0 1.8 3.45 561 443 A 5 LYS HA A 5 LYS HGy 1.0 1.8 3.45 562 444 A 5 LYS HBy A 5 LYS HDx 1.0 1.8 3.28 563 444 A 5 LYS HBx A 5 LYS HDx 1.0 1.8 3.28 564 444 A 5 LYS HDy A 5 LYS HBx 1.0 1.8 3.28 565 444 A 5 LYS HDy A 5 LYS HBy 1.0 1.8 3.28 566 445 A 6 SER H A 5 LYS HBx 1.0 1.8 3.45 567 445 A 6 SER H A 5 LYS HBy 1.0 1.8 3.45 568 446 A 6 SER H A 5 LYS HGx 1.0 1.8 4.57 569 446 A 6 SER H A 5 LYS HGy 1.0 1.8 4.57 570 447 A 7 TYR HA A 10 LEU HDx% 1.0 1.8 3.92 571 447 A 7 TYR HA A 10 LEU HDy% 1.0 1.8 3.92 572 448 A 7 TYR HA A 11 GLN HE2y 1.0 1.8 4.48 573 448 A 7 TYR HA A 11 GLN HE2x 1.0 1.8 4.48 574 449 A 7 TYR HBy A 11 GLN HE2y 1.0 1.8 4.86 575 449 A 7 TYR HBy A 11 GLN HE2x 1.0 1.8 4.86 576 450 A 7 TYR HBx A 11 GLN HE2y 1.0 1.8 3.96 577 450 A 7 TYR HBx A 11 GLN HE2x 1.0 1.8 3.96 578 451 A 7 TYR HD% A 10 LEU HDx% 1.0 1.8 3.75 579 451 A 7 TYR HD% A 10 LEU HDy% 1.0 1.8 3.75 580 452 A 7 TYR HE% A 10 LEU HDx% 1.0 1.8 3.97 581 452 A 7 TYR HE% A 10 LEU HDy% 1.0 1.8 3.97 582 453 A 8 LYS H A 8 LYS HGy 1.0 1.8 4.66 583 453 A 8 LYS H A 8 LYS HGx 1.0 1.8 4.66 584 454 A 8 LYS HA A 8 LYS HGy 1.0 1.8 3.52 585 454 A 8 LYS HA A 8 LYS HGx 1.0 1.8 3.52 586 455 A 9 ARG H A 8 LYS HGy 1.0 1.8 4.81 587 455 A 9 ARG H A 8 LYS HGx 1.0 1.8 4.81 588 456 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.04 589 456 A 9 ARG H A 9 ARG HGy 1.0 1.8 3.04 590 457 A 9 ARG HBy A 9 ARG HGx 1.0 1.8 2.38 591 457 A 9 ARG HBx A 9 ARG HGx 1.0 1.8 2.38 592 457 A 9 ARG HGy A 9 ARG HBx 1.0 1.8 2.38 593 457 A 9 ARG HBy A 9 ARG HGy 1.0 1.8 2.38 594 458 A 9 ARG HE A 9 ARG HGx 1.0 1.8 3.48 595 458 A 9 ARG HE A 9 ARG HGy 1.0 1.8 3.48 596 459 A 10 LEU H A 9 ARG HGx 1.0 1.8 5.06 597 459 A 10 LEU H A 9 ARG HGy 1.0 1.8 5.06 598 460 A 10 LEU HA A 10 LEU HDx% 1.0 1.8 2.57 599 460 A 10 LEU HA A 10 LEU HDy% 1.0 1.8 2.57 600 461 A 10 LEU HBy A 10 LEU HDx% 1.0 1.8 2.60 601 461 A 10 LEU HBy A 10 LEU HDy% 1.0 1.8 2.60 602 462 A 10 LEU HBy A 37 TYR HBx 1.0 1.8 5.34 603 462 A 10 LEU HBy A 37 TYR HBy 1.0 1.8 5.34 604 463 A 10 LEU HBx A 10 LEU HDx% 1.0 1.8 2.55 605 463 A 10 LEU HBx A 10 LEU HDy% 1.0 1.8 2.55 606 464 A 11 GLN H A 10 LEU HDx% 1.0 1.8 3.72 607 464 A 11 GLN H A 10 LEU HDy% 1.0 1.8 3.72 608 465 A 13 CYS H A 10 LEU HDx% 1.0 1.8 5.10 609 465 A 13 CYS H A 10 LEU HDy% 1.0 1.8 5.10 610 466 A 13 CYS HA A 10 LEU HDx% 1.0 1.8 5.44 611 466 A 13 CYS HA A 10 LEU HDy% 1.0 1.8 5.44 612 467 A 13 CYS HBx A 10 LEU HDx% 1.0 1.8 3.43 613 467 A 13 CYS HBx A 10 LEU HDy% 1.0 1.8 3.43 614 468 A 14 GLN H A 10 LEU HDx% 1.0 1.8 4.01 615 468 A 14 GLN H A 10 LEU HDy% 1.0 1.8 4.01 616 469 A 10 LEU HDy% A 14 GLN HBy 1.0 1.8 3.83 617 469 A 10 LEU HDx% A 14 GLN HBy 1.0 1.8 3.83 618 469 A 14 GLN HBx A 10 LEU HDx% 1.0 1.8 3.83 619 469 A 10 LEU HDy% A 14 GLN HBx 1.0 1.8 3.83 620 470 A 10 LEU HDx% A 14 GLN HGx 1.0 1.8 2.81 621 470 A 10 LEU HDy% A 14 GLN HGx 1.0 1.8 2.81 622 470 A 14 GLN HGy A 10 LEU HDx% 1.0 1.8 2.81 623 470 A 10 LEU HDy% A 14 GLN HGy 1.0 1.8 2.81 624 471 A 14 GLN HE2y A 10 LEU HDx% 1.0 1.8 3.17 625 471 A 14 GLN HE2y A 10 LEU HDy% 1.0 1.8 3.17 626 472 A 14 GLN HE2x A 10 LEU HDx% 1.0 1.8 3.42 627 472 A 14 GLN HE2x A 10 LEU HDy% 1.0 1.8 3.42 628 473 A 33 CYS HA A 10 LEU HDx% 1.0 1.8 4.04 629 473 A 33 CYS HA A 10 LEU HDy% 1.0 1.8 4.04 630 474 A 10 LEU HDy% A 33 CYS HBy 1.0 1.8 2.74 631 474 A 10 LEU HDx% A 33 CYS HBy 1.0 1.8 2.74 632 474 A 33 CYS HBx A 10 LEU HDx% 1.0 1.8 2.74 633 474 A 10 LEU HDy% A 33 CYS HBx 1.0 1.8 2.74 634 475 A 34 GLN H A 10 LEU HDx% 1.0 1.8 3.62 635 475 A 34 GLN H A 10 LEU HDy% 1.0 1.8 3.62 636 476 A 34 GLN HA A 10 LEU HDx% 1.0 1.8 2.65 637 476 A 34 GLN HA A 10 LEU HDy% 1.0 1.8 2.65 638 477 A 10 LEU HDy% A 34 GLN HGy 1.0 1.8 3.30 639 477 A 10 LEU HDx% A 34 GLN HGy 1.0 1.8 3.30 640 477 A 34 GLN HGx A 10 LEU HDx% 1.0 1.8 3.30 641 477 A 34 GLN HGx A 10 LEU HDy% 1.0 1.8 3.30 642 478 A 10 LEU HDy% A 34 GLN HE2x 1.0 1.8 3.90 643 478 A 34 GLN HE2y A 10 LEU HDy% 1.0 1.8 3.90 644 478 A 34 GLN HE2y A 10 LEU HDx% 1.0 1.8 3.90 645 478 A 34 GLN HE2x A 10 LEU HDx% 1.0 1.8 3.90 646 479 A 34 GLN HE2x A 10 LEU HDx% 1.0 1.8 6.21 647 480 A 10 LEU HDy% A 34 GLN HE2x 1.0 1.8 6.21 648 481 A 37 TYR H A 10 LEU HDx% 1.0 1.8 3.96 649 481 A 37 TYR H A 10 LEU HDy% 1.0 1.8 3.96 650 482 A 10 LEU HDx% A 37 TYR HBx 1.0 1.8 2.86 651 482 A 10 LEU HDy% A 37 TYR HBx 1.0 1.8 2.86 652 482 A 37 TYR HBy A 10 LEU HDx% 1.0 1.8 2.86 653 482 A 10 LEU HDy% A 37 TYR HBy 1.0 1.8 2.86 654 483 A 37 TYR HD% A 10 LEU HDx% 1.0 1.8 3.64 655 483 A 37 TYR HD% A 10 LEU HDy% 1.0 1.8 3.64 656 484 A 37 TYR HE% A 10 LEU HDx% 1.0 1.8 4.29 657 484 A 37 TYR HE% A 10 LEU HDy% 1.0 1.8 4.29 658 485 A 11 GLN H A 11 GLN HGx 1.0 1.8 3.61 659 485 A 11 GLN H A 11 GLN HGy 1.0 1.8 3.61 660 486 A 11 GLN HBx A 11 GLN HE2x 1.0 1.8 3.40 661 486 A 11 GLN HBx A 11 GLN HE2y 1.0 1.8 3.40 662 486 A 11 GLN HE2x A 11 GLN HBy 1.0 1.8 3.40 663 486 A 11 GLN HE2y A 11 GLN HBy 1.0 1.8 3.40 664 487 A 11 GLN HE2y A 11 GLN HGx 1.0 1.8 3.09 665 487 A 11 GLN HE2y A 11 GLN HGy 1.0 1.8 3.09 666 487 A 11 GLN HE2x A 11 GLN HGy 1.0 1.8 3.09 667 487 A 11 GLN HE2x A 11 GLN HGx 1.0 1.8 3.09 668 488 A 12 GLU H A 12 GLU HBy 1.0 1.8 2.72 669 488 A 12 GLU H A 12 GLU HBx 1.0 1.8 2.72 670 489 A 12 GLU H A 12 GLU HGy 1.0 1.8 3.11 671 489 A 12 GLU H A 12 GLU HGx 1.0 1.8 3.11 672 490 A 12 GLU HA A 12 GLU HGy 1.0 1.8 3.27 673 490 A 12 GLU HA A 12 GLU HGx 1.0 1.8 3.27 674 491 A 13 CYS H A 12 GLU HBy 1.0 1.8 3.22 675 491 A 13 CYS H A 12 GLU HBx 1.0 1.8 3.22 676 492 A 14 GLN H A 14 GLN HBy 1.0 1.8 2.76 677 492 A 14 GLN H A 14 GLN HBx 1.0 1.8 2.76 678 493 A 14 GLN H A 14 GLN HGx 1.0 1.8 2.60 679 493 A 14 GLN H A 14 GLN HGy 1.0 1.8 2.60 680 494 A 14 GLN HA A 14 GLN HGx 1.0 1.8 3.61 681 494 A 14 GLN HA A 14 GLN HGy 1.0 1.8 3.61 682 495 A 14 GLN HE2y A 14 GLN HBy 1.0 1.8 3.03 683 495 A 14 GLN HE2y A 14 GLN HBx 1.0 1.8 3.03 684 496 A 14 GLN HE2x A 14 GLN HBy 1.0 1.8 3.93 685 496 A 14 GLN HE2x A 14 GLN HBx 1.0 1.8 3.93 686 497 A 15 ARG H A 14 GLN HBy 1.0 1.8 3.59 687 497 A 15 ARG H A 14 GLN HBx 1.0 1.8 3.59 688 498 A 30 GLN HE2y A 14 GLN HBy 1.0 1.8 4.56 689 498 A 30 GLN HE2y A 14 GLN HBx 1.0 1.8 4.56 690 499 A 15 ARG H A 14 GLN HGx 1.0 1.8 4.40 691 499 A 15 ARG H A 14 GLN HGy 1.0 1.8 4.40 692 500 A 15 ARG HA A 15 ARG HGx 1.0 1.8 3.48 693 500 A 15 ARG HA A 15 ARG HGy 1.0 1.8 3.48 694 501 A 16 ARG H A 16 ARG HGx 1.0 1.8 3.05 695 501 A 16 ARG H A 16 ARG HGy 1.0 1.8 3.05 696 502 A 17 CYS H A 16 ARG HGx 1.0 1.8 4.21 697 502 A 17 CYS H A 16 ARG HGy 1.0 1.8 4.21 698 503 A 17 CYS HA A 26 LEU HDx% 1.0 1.8 3.88 699 503 A 17 CYS HA A 26 LEU HDy% 1.0 1.8 3.88 700 504 A 17 CYS HBy A 26 LEU HDx% 1.0 1.8 3.46 701 504 A 17 CYS HBy A 26 LEU HDy% 1.0 1.8 3.46 702 505 A 17 CYS HBx A 26 LEU HDx% 1.0 1.8 2.61 703 505 A 17 CYS HBx A 26 LEU HDy% 1.0 1.8 2.61 704 506 A 18 GLN H A 26 LEU HDx% 1.0 1.8 3.53 705 506 A 18 GLN H A 26 LEU HDy% 1.0 1.8 3.53 706 507 A 18 GLN HA A 18 GLN HGx 1.0 1.8 3.57 707 507 A 18 GLN HA A 18 GLN HGy 1.0 1.8 3.57 708 508 A 18 GLN HA A 26 LEU HDx% 1.0 1.8 2.60 709 508 A 18 GLN HA A 26 LEU HDy% 1.0 1.8 2.60 710 509 A 18 GLN HBx A 26 LEU HDx% 1.0 1.8 3.42 711 509 A 18 GLN HBy A 26 LEU HDx% 1.0 1.8 3.42 712 509 A 26 LEU HDy% A 18 GLN HBx 1.0 1.8 3.42 713 509 A 18 GLN HBy A 26 LEU HDy% 1.0 1.8 3.42 714 510 A 19 SER H A 18 GLN HGx 1.0 1.8 4.70 715 510 A 19 SER H A 18 GLN HGy 1.0 1.8 4.70 716 511 A 18 GLN HGx A 26 LEU HDx% 1.0 1.8 3.38 717 511 A 18 GLN HGy A 26 LEU HDx% 1.0 1.8 3.38 718 511 A 26 LEU HDy% A 18 GLN HGx 1.0 1.8 3.38 719 511 A 26 LEU HDy% A 18 GLN HGy 1.0 1.8 3.38 720 512 A 19 SER H A 26 LEU HDx% 1.0 1.8 4.78 721 512 A 19 SER H A 26 LEU HDy% 1.0 1.8 4.78 722 513 A 20 GLU H A 19 SER HBx 1.0 1.8 3.36 723 513 A 20 GLU H A 19 SER HBy 1.0 1.8 3.36 724 514 A 20 GLU HA A 20 GLU HGy 1.0 1.8 3.20 725 514 A 20 GLU HA A 20 GLU HGx 1.0 1.8 3.20 726 515 A 20 GLU HBy A 21 GLN HGx 1.0 1.8 5.34 727 515 A 20 GLU HBy A 21 GLN HGy 1.0 1.8 5.34 728 516 A 20 GLU HBy A 21 GLN HE2y 1.0 1.8 4.25 729 516 A 20 GLU HBy A 21 GLN HE2x 1.0 1.8 4.25 730 517 A 20 GLU HBx A 21 GLN HE2y 1.0 1.8 3.98 731 517 A 20 GLU HBx A 21 GLN HE2x 1.0 1.8 3.98 732 518 A 21 GLN H A 21 GLN HGx 1.0 1.8 3.06 733 518 A 21 GLN H A 21 GLN HGy 1.0 1.8 3.06 734 519 A 21 GLN H A 26 LEU HDx% 1.0 1.8 3.80 735 519 A 21 GLN H A 26 LEU HDy% 1.0 1.8 3.80 736 520 A 21 GLN HBy A 26 LEU HDx% 1.0 1.8 3.39 737 520 A 21 GLN HBy A 26 LEU HDy% 1.0 1.8 3.39 738 521 A 21 GLN HE2y A 21 GLN HGx 1.0 1.8 2.83 739 521 A 21 GLN HE2y A 21 GLN HGy 1.0 1.8 2.83 740 521 A 21 GLN HE2x A 21 GLN HGy 1.0 1.8 2.83 741 521 A 21 GLN HE2x A 21 GLN HGx 1.0 1.8 2.83 742 522 A 21 GLN HGx A 26 LEU HDx% 1.0 1.8 4.14 743 522 A 26 LEU HDy% A 21 GLN HGx 1.0 1.8 4.14 744 522 A 26 LEU HDy% A 21 GLN HGy 1.0 1.8 4.14 745 522 A 21 GLN HGy A 26 LEU HDx% 1.0 1.8 4.14 746 523 A 22 GLN H A 22 GLN HBy 1.0 1.8 3.64 747 523 A 22 GLN H A 22 GLN HBx 1.0 1.8 3.64 748 524 A 22 GLN H A 22 GLN HGx 1.0 1.8 3.26 749 524 A 22 GLN H A 22 GLN HGy 1.0 1.8 3.26 750 525 A 22 GLN H A 26 LEU HDx% 1.0 1.8 4.49 751 525 A 22 GLN H A 26 LEU HDy% 1.0 1.8 4.49 752 526 A 22 GLN HA A 26 LEU HDx% 1.0 1.8 3.47 753 526 A 22 GLN HA A 26 LEU HDy% 1.0 1.8 3.47 754 527 A 23 GLY H A 22 GLN HBy 1.0 1.8 2.75 755 527 A 23 GLY H A 22 GLN HBx 1.0 1.8 2.75 756 528 A 23 GLY H A 22 GLN HGx 1.0 1.8 4.35 757 528 A 23 GLY H A 22 GLN HGy 1.0 1.8 4.35 758 529 A 23 GLY H A 26 LEU HDx% 1.0 1.8 4.09 759 529 A 23 GLY H A 26 LEU HDy% 1.0 1.8 4.09 760 530 A 24 GLN H A 24 GLN HBy 1.0 1.8 2.52 761 530 A 24 GLN H A 24 GLN HBx 1.0 1.8 2.52 762 531 A 25 ARG H A 24 GLN HBy 1.0 1.8 2.79 763 531 A 25 ARG H A 24 GLN HBx 1.0 1.8 2.79 764 532 A 25 ARG H A 25 ARG HBy 1.0 1.8 3.19 765 532 A 25 ARG H A 25 ARG HBx 1.0 1.8 3.19 766 533 A 25 ARG H A 25 ARG HGx 1.0 1.8 2.72 767 533 A 25 ARG H A 25 ARG HGy 1.0 1.8 2.72 768 534 A 25 ARG HA A 25 ARG HGx 1.0 1.8 3.73 769 534 A 25 ARG HA A 25 ARG HGy 1.0 1.8 3.73 770 535 A 26 LEU H A 25 ARG HBy 1.0 1.8 3.30 771 535 A 26 LEU H A 25 ARG HBx 1.0 1.8 3.30 772 536 A 26 LEU H A 26 LEU HDx% 1.0 1.8 3.82 773 536 A 26 LEU H A 26 LEU HDy% 1.0 1.8 3.82 774 537 A 26 LEU HA A 26 LEU HDx% 1.0 1.8 2.54 775 537 A 26 LEU HA A 26 LEU HDy% 1.0 1.8 2.54 776 538 A 26 LEU HBy A 26 LEU HDx% 1.0 1.8 2.64 777 538 A 26 LEU HBy A 26 LEU HDy% 1.0 1.8 2.64 778 539 A 26 LEU HBx A 26 LEU HDx% 1.0 1.8 2.57 779 539 A 26 LEU HBx A 26 LEU HDy% 1.0 1.8 2.57 780 540 A 27 GLN H A 26 LEU HDx% 1.0 1.8 4.12 781 540 A 27 GLN H A 26 LEU HDy% 1.0 1.8 4.12 782 541 A 29 CYS H A 26 LEU HDx% 1.0 1.8 4.38 783 541 A 29 CYS H A 26 LEU HDy% 1.0 1.8 4.38 784 542 A 29 CYS HBx A 26 LEU HDx% 1.0 1.8 3.36 785 542 A 29 CYS HBx A 26 LEU HDy% 1.0 1.8 3.36 786 543 A 30 GLN H A 26 LEU HDx% 1.0 1.8 3.81 787 543 A 30 GLN H A 26 LEU HDy% 1.0 1.8 3.81 788 544 A 26 LEU HDx% A 30 GLN HBy 1.0 1.8 3.53 789 544 A 26 LEU HDy% A 30 GLN HBy 1.0 1.8 3.53 790 544 A 30 GLN HBx A 26 LEU HDx% 1.0 1.8 3.53 791 544 A 26 LEU HDy% A 30 GLN HBx 1.0 1.8 3.53 792 545 A 26 LEU HDx% A 30 GLN HGx 1.0 1.8 2.96 793 545 A 26 LEU HDy% A 30 GLN HGx 1.0 1.8 2.96 794 545 A 30 GLN HGy A 26 LEU HDx% 1.0 1.8 2.96 795 545 A 26 LEU HDy% A 30 GLN HGy 1.0 1.8 2.96 796 546 A 30 GLN HE2y A 26 LEU HDx% 1.0 1.8 3.17 797 546 A 30 GLN HE2y A 26 LEU HDy% 1.0 1.8 3.17 798 547 A 30 GLN HE2x A 26 LEU HDx% 1.0 1.8 3.55 799 547 A 30 GLN HE2x A 26 LEU HDy% 1.0 1.8 3.55 800 548 A 27 GLN H A 27 GLN HBy 1.0 1.8 2.64 801 548 A 27 GLN H A 27 GLN HBx 1.0 1.8 2.64 802 549 A 27 GLN HA A 30 GLN HGx 1.0 1.8 5.34 803 549 A 27 GLN HA A 30 GLN HGy 1.0 1.8 5.34 804 550 A 28 GLU H A 28 GLU HBx 1.0 1.8 2.79 805 550 A 28 GLU H A 28 GLU HBy 1.0 1.8 2.79 806 551 A 28 GLU H A 28 GLU HGy 1.0 1.8 2.71 807 551 A 28 GLU H A 28 GLU HGx 1.0 1.8 2.71 808 552 A 28 GLU HA A 28 GLU HGy 1.0 1.8 3.52 809 552 A 28 GLU HGx A 28 GLU HA 1.0 1.8 3.52 810 553 A 29 CYS H A 28 GLU HBx 1.0 1.8 2.98 811 553 A 29 CYS H A 28 GLU HBy 1.0 1.8 2.98 812 554 A 30 GLN H A 30 GLN HBy 1.0 1.8 3.19 813 554 A 30 GLN H A 30 GLN HBx 1.0 1.8 3.19 814 555 A 30 GLN H A 30 GLN HGx 1.0 1.8 2.60 815 555 A 30 GLN H A 30 GLN HGy 1.0 1.8 2.60 816 556 A 30 GLN HA A 30 GLN HGx 1.0 1.8 3.53 817 556 A 30 GLN HA A 30 GLN HGy 1.0 1.8 3.53 818 557 A 30 GLN HE2y A 30 GLN HBy 1.0 1.8 3.22 819 557 A 30 GLN HE2y A 30 GLN HBx 1.0 1.8 3.22 820 558 A 30 GLN HE2x A 30 GLN HBy 1.0 1.8 3.84 821 558 A 30 GLN HE2x A 30 GLN HBx 1.0 1.8 3.84 822 559 A 31 GLN H A 30 GLN HGx 1.0 1.8 4.30 823 559 A 31 GLN H A 30 GLN HGy 1.0 1.8 4.30 824 560 A 31 GLN H A 31 GLN HBy 1.0 1.8 2.50 825 560 A 31 GLN H A 31 GLN HBx 1.0 1.8 2.50 826 561 A 32 ARG H A 32 ARG HBy 1.0 1.8 2.89 827 561 A 32 ARG H A 32 ARG HBx 1.0 1.8 2.89 828 562 A 32 ARG H A 32 ARG HGx 1.0 1.8 3.00 829 562 A 32 ARG H A 32 ARG HGy 1.0 1.8 3.00 830 563 A 32 ARG HBy A 32 ARG HDx 1.0 1.8 3.28 831 563 A 32 ARG HBx A 32 ARG HDx 1.0 1.8 3.28 832 563 A 32 ARG HDy A 32 ARG HBy 1.0 1.8 3.28 833 563 A 32 ARG HDy A 32 ARG HBx 1.0 1.8 3.28 834 564 A 32 ARG HE A 32 ARG HBy 1.0 1.8 4.37 835 564 A 32 ARG HBx A 32 ARG HE 1.0 1.8 4.37 836 565 A 33 CYS H A 32 ARG HBy 1.0 1.8 3.50 837 565 A 33 CYS H A 32 ARG HBx 1.0 1.8 3.50 838 566 A 33 CYS H A 32 ARG HGx 1.0 1.8 4.89 839 566 A 33 CYS H A 32 ARG HGy 1.0 1.8 4.89 840 567 A 34 GLN HA A 33 CYS HBy 1.0 1.8 5.18 841 567 A 34 GLN HA A 33 CYS HBx 1.0 1.8 5.18 842 568 A 34 GLN HA A 35 GLN HE2y 1.0 1.8 5.07 843 568 A 34 GLN HA A 35 GLN HE2x 1.0 1.8 5.07 844 569 A 34 GLN HBy A 34 GLN HE2y 1.0 1.8 4.66 845 569 A 34 GLN HBy A 34 GLN HE2x 1.0 1.8 4.66 846 570 A 34 GLN HBy A 35 GLN HE2y 1.0 1.8 4.48 847 570 A 34 GLN HBy A 35 GLN HE2x 1.0 1.8 4.48 848 571 A 34 GLN HBx A 34 GLN HE2y 1.0 1.8 4.38 849 571 A 34 GLN HBx A 34 GLN HE2x 1.0 1.8 4.38 850 572 A 34 GLN HGx A 34 GLN HE2y 1.0 1.8 3.08 851 572 A 34 GLN HE2y A 34 GLN HGy 1.0 1.8 3.08 852 572 A 34 GLN HGx A 34 GLN HE2x 1.0 1.8 3.08 853 572 A 34 GLN HE2x A 34 GLN HGy 1.0 1.8 3.08 854 573 A 34 GLN HGx A 35 GLN HE2y 1.0 1.8 4.77 855 573 A 34 GLN HGy A 35 GLN HE2y 1.0 1.8 4.77 856 573 A 35 GLN HE2x A 34 GLN HGy 1.0 1.8 4.77 857 573 A 34 GLN HGx A 35 GLN HE2x 1.0 1.8 4.77 858 574 A 35 GLN H A 35 GLN HGy 1.0 1.8 2.84 859 574 A 35 GLN H A 35 GLN HGx 1.0 1.8 2.84 860 575 A 35 GLN HA A 35 GLN HGy 1.0 1.8 3.26 861 575 A 35 GLN HA A 35 GLN HGx 1.0 1.8 3.26 862 576 A 35 GLN HBx A 35 GLN HE2y 1.0 1.8 4.29 863 576 A 35 GLN HBx A 35 GLN HE2x 1.0 1.8 4.29 864 577 A 35 GLN HE2x A 35 GLN HGy 1.0 1.8 3.12 865 577 A 35 GLN HE2y A 35 GLN HGy 1.0 1.8 3.12 866 577 A 35 GLN HGx A 35 GLN HE2y 1.0 1.8 3.12 867 577 A 35 GLN HE2x A 35 GLN HGx 1.0 1.8 3.12 868 578 A 36 GLU H A 35 GLN HGy 1.0 1.8 4.71 869 578 A 36 GLU H A 35 GLN HGx 1.0 1.8 4.71 870 579 A 38 GLN H A 37 TYR HBx 1.0 1.8 2.98 871 579 A 38 GLN H A 37 TYR HBy 1.0 1.8 2.98 872 580 A 37 TYR HD% A 38 GLN HBy 1.0 1.8 5.34 873 580 A 37 TYR HD% A 38 GLN HBx 1.0 1.8 5.34 874 581 A 38 GLN H A 38 GLN HBy 1.0 1.8 3.13 875 581 A 38 GLN H A 38 GLN HBx 1.0 1.8 3.13 876 582 A 38 GLN H A 38 GLN HGx 1.0 1.8 3.19 877 582 A 38 GLN H A 38 GLN HGy 1.0 1.8 3.19 878 583 A 38 GLN HA A 38 GLN HGx 1.0 1.8 3.47 879 583 A 38 GLN HA A 38 GLN HGy 1.0 1.8 3.47 880 584 A 38 GLN HBx A 38 GLN HE2x 1.0 1.8 4.63 881 584 A 38 GLN HBy A 38 GLN HE2x 1.0 1.8 4.63 882 584 A 38 GLN HE2y A 38 GLN HBy 1.0 1.8 4.63 883 584 A 38 GLN HBx A 38 GLN HE2y 1.0 1.8 4.63 884 585 A 39 ARG H A 38 GLN HBy 1.0 1.8 3.44 885 585 A 39 ARG H A 38 GLN HBx 1.0 1.8 3.44 886 586 A 38 GLN HE2x A 38 GLN HGx 1.0 1.8 3.23 887 586 A 38 GLN HE2y A 38 GLN HGx 1.0 1.8 3.23 888 586 A 38 GLN HGy A 38 GLN HE2x 1.0 1.8 3.23 889 586 A 38 GLN HGy A 38 GLN HE2y 1.0 1.8 3.23 890 587 A 39 ARG H A 39 ARG HGx 1.0 1.8 3.35 891 587 A 39 ARG H A 39 ARG HGy 1.0 1.8 3.35 892 588 A 40 GLU H A 40 GLU HBy 1.0 1.8 2.84 893 588 A 40 GLU H A 40 GLU HBx 1.0 1.8 2.84 894 589 A 40 GLU H A 40 GLU HGy 1.0 1.8 2.80 895 589 A 40 GLU H A 40 GLU HGx 1.0 1.8 2.80 896 590 A 41 LYS H A 40 GLU HBy 1.0 1.8 4.35 897 590 A 41 LYS H A 40 GLU HBx 1.0 1.8 4.35 898 591 A 41 LYS H A 40 GLU HGy 1.0 1.8 4.43 899 591 A 41 LYS H A 40 GLU HGx 1.0 1.8 4.43 900 592 A 41 LYS HBy A 41 LYS HEy 1.0 1.8 4.65 901 592 A 41 LYS HBx A 41 LYS HEy 1.0 1.8 4.65 902 592 A 41 LYS HEx A 41 LYS HBx 1.0 1.8 4.65 903 592 A 41 LYS HBy A 41 LYS HEx 1.0 1.8 4.65 904 593 A 42 GLY H A 42 GLY HAy 1.0 1.8 2.55 905 593 A 42 GLY H A 42 GLY HAx 1.0 1.8 2.55 906 594 A 43 GLN H A 42 GLY HAy 1.0 1.8 2.95 907 594 A 43 GLN H A 42 GLY HAx 1.0 1.8 2.95 908 595 A 43 GLN H A 43 GLN HBy 1.0 1.8 2.75 909 595 A 43 GLN H A 43 GLN HBx 1.0 1.8 2.75 910 596 A 44 HIS H A 43 GLN HBy 1.0 1.8 4.15 911 596 A 44 HIS H A 43 GLN HBx 1.0 1.8 4.15 912 597 A 44 HIS H A 44 HIS HBx 1.0 1.8 3.16 913 597 A 44 HIS H A 44 HIS HBy 1.0 1.8 3.16 914 598 A 45 GLN H A 45 GLN HBy 1.0 1.8 2.88 915 598 A 45 GLN H A 45 GLN HBx 1.0 1.8 2.88 916 599 A 45 GLN H A 45 GLN HGx 1.0 1.8 4.07 917 599 A 45 GLN H A 45 GLN HGy 1.0 1.8 4.07 918 600 A 47 GLU H A 47 GLU HBy 1.0 1.8 3.29 919 600 A 47 GLU H A 47 GLU HBx 1.0 1.8 3.29 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 8 LYS H A 4 ASP O 1.0 0.0 2.3 2 2 A 4 ASP O A 8 LYS N 1.0 0.0 3.3 3 3 A 9 ARG H A 5 LYS O 1.0 0.0 2.3 4 4 A 5 LYS O A 9 ARG N 1.0 0.0 3.3 5 5 A 10 LEU H A 6 SER O 1.0 0.0 2.3 6 6 A 6 SER O A 10 LEU N 1.0 0.0 3.3 7 7 A 11 GLN H A 7 TYR O 1.0 0.0 2.3 8 8 A 7 TYR O A 11 GLN N 1.0 0.0 3.3 9 9 A 12 GLU H A 8 LYS O 1.0 0.0 2.3 10 10 A 8 LYS O A 12 GLU N 1.0 0.0 3.3 11 11 A 13 CYS H A 9 ARG O 1.0 0.0 2.3 12 12 A 9 ARG O A 13 CYS N 1.0 0.0 3.3 13 13 A 14 GLN H A 10 LEU O 1.0 0.0 2.3 14 14 A 10 LEU O A 14 GLN N 1.0 0.0 3.3 15 15 A 15 ARG H A 11 GLN O 1.0 0.0 2.3 16 16 A 11 GLN O A 15 ARG N 1.0 0.0 3.3 17 17 A 16 ARG H A 12 GLU O 1.0 0.0 2.3 18 18 A 12 GLU O A 16 ARG N 1.0 0.0 3.3 19 19 A 17 CYS H A 13 CYS O 1.0 0.0 2.3 20 20 A 13 CYS O A 17 CYS N 1.0 0.0 3.3 21 21 A 18 GLN H A 14 GLN O 1.0 0.0 2.3 22 22 A 14 GLN O A 18 GLN N 1.0 0.0 3.3 23 23 A 20 GLU H A 16 ARG O 1.0 0.0 2.3 24 24 A 16 ARG O A 20 GLU N 1.0 0.0 3.3 25 25 A 21 GLN H A 17 CYS O 1.0 0.0 2.3 26 26 A 17 CYS O A 21 GLN N 1.0 0.0 3.3 27 27 A 26 LEU H A 22 GLN O 1.0 0.0 2.3 28 28 A 22 GLN O A 26 LEU N 1.0 0.0 3.3 29 29 A 27 GLN H A 23 GLY O 1.0 0.0 2.3 30 30 A 23 GLY O A 27 GLN N 1.0 0.0 3.3 31 31 A 29 CYS H A 25 ARG O 1.0 0.0 2.3 32 32 A 25 ARG O A 29 CYS N 1.0 0.0 3.3 33 33 A 30 GLN H A 26 LEU O 1.0 0.0 2.3 34 34 A 26 LEU O A 30 GLN N 1.0 0.0 3.3 35 35 A 31 GLN H A 27 GLN O 1.0 0.0 2.3 36 36 A 27 GLN O A 31 GLN N 1.0 0.0 3.3 37 37 A 32 ARG H A 28 GLU O 1.0 0.0 2.3 38 38 A 28 GLU O A 32 ARG N 1.0 0.0 3.3 39 39 A 33 CYS H A 29 CYS O 1.0 0.0 2.3 40 40 A 29 CYS O A 33 CYS N 1.0 0.0 3.3 41 41 A 34 GLN H A 30 GLN O 1.0 0.0 2.3 42 42 A 30 GLN O A 34 GLN N 1.0 0.0 3.3 43 43 A 36 GLU H A 32 ARG O 1.0 0.0 2.3 44 44 A 32 ARG O A 36 GLU N 1.0 0.0 3.3 45 45 A 37 TYR H A 33 CYS O 1.0 0.0 2.3 46 46 A 33 CYS O A 37 TYR N 1.0 0.0 3.3 47 47 A 40 GLU H A 36 GLU O 1.0 0.0 2.3 48 48 A 36 GLU O A 40 GLU N 1.0 0.0 3.3 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 3 PRO C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -99.8 -49.2 PHI 2 2 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 LYS N 1.0 77.2 180.4 PSI 3 3 A 4 ASP C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -81.9 -41.9 PHI 4 4 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 SER N 1.0 -55.7 -15.7 PSI 5 5 A 5 LYS C A 6 SER N A 6 SER CA A 6 SER C 1.0 -85.4 -45.4 PHI 6 6 A 6 SER N A 6 SER CA A 6 SER C A 7 TYR N 1.0 -58.5 -18.5 PSI 7 7 A 6 SER C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -88.4 -48.4 PHI 8 8 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 LYS N 1.0 -63.4 -23.4 PSI 9 9 A 7 TYR C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -84.9 -44.9 PHI 10 10 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ARG N 1.0 -57.1 -17.1 PSI 11 11 A 8 LYS C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -86.1 -46.1 PHI 12 12 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 LEU N 1.0 -59.8 -19.8 PSI 13 13 A 9 ARG C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -85.0 -45.0 PHI 14 14 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 GLN N 1.0 -62.6 -22.6 PSI 15 15 A 10 LEU C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -84.3 -44.3 PHI 16 16 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 GLU N 1.0 -60.7 -20.7 PSI 17 17 A 11 GLN C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -85.5 -45.5 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 CYS N 1.0 -59.7 -19.7 PSI 19 19 A 12 GLU C A 13 CYS N A 13 CYS CA A 13 CYS C 1.0 -84.6 -44.6 PHI 20 20 A 13 CYS N A 13 CYS CA A 13 CYS C A 14 GLN N 1.0 -61.7 -21.7 PSI 21 21 A 13 CYS C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -84.1 -44.1 PHI 22 22 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 ARG N 1.0 -62.2 -22.2 PSI 23 23 A 14 GLN C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -86.8 -46.8 PHI 24 24 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 ARG N 1.0 -57.2 -17.2 PSI 25 25 A 15 ARG C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -86.0 -46.0 PHI 26 26 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 CYS N 1.0 -61.0 -21.0 PSI 27 27 A 16 ARG C A 17 CYS N A 17 CYS CA A 17 CYS C 1.0 -86.3 -46.3 PHI 28 28 A 17 CYS N A 17 CYS CA A 17 CYS C A 18 GLN N 1.0 -56.5 -16.5 PSI 29 29 A 17 CYS C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -86.1 -46.1 PHI 30 30 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 SER N 1.0 -53.2 -13.2 PSI 31 31 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLN N 1.0 -25.0 15.0 PSI 32 32 A 20 GLU C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -125.0 -48.0 PHI 33 33 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 GLN N 1.0 87.6 221.0 PSI 34 34 A 21 GLN C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -210.5 -20.9 PHI 35 35 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 GLY N 1.0 130.8 190.8 PSI 36 36 A 22 GLN C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 31.5 91.5 PHI 37 37 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 GLN N 1.0 -172.7 -112.7 PSI 38 38 A 23 GLY C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -81.0 -41.0 PHI 39 39 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 ARG N 1.0 -51.7 -11.7 PSI 40 40 A 24 GLN C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -84.9 -44.9 PHI 41 41 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 LEU N 1.0 -57.5 -17.5 PSI 42 42 A 25 ARG C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -88.2 -48.2 PHI 43 43 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 GLN N 1.0 -62.5 -22.5 PSI 44 44 A 26 LEU C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -84.3 -44.3 PHI 45 45 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 GLU N 1.0 -59.3 -19.3 PSI 46 46 A 27 GLN C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -85.6 -45.6 PHI 47 47 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 CYS N 1.0 -61.5 -21.5 PSI 48 48 A 28 GLU C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -85.0 -45.0 PHI 49 49 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 GLN N 1.0 -61.2 -21.2 PSI 50 50 A 29 CYS C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.7 -44.7 PHI 51 51 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 GLN N 1.0 -60.5 -20.5 PSI 52 52 A 30 GLN C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -86.5 -46.5 PHI 53 53 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ARG N 1.0 -57.9 -17.9 PSI 54 54 A 31 GLN C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -86.1 -46.1 PHI 55 55 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 CYS N 1.0 -62.1 -22.1 PSI 56 56 A 32 ARG C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -86.4 -46.4 PHI 57 57 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 GLN N 1.0 -57.9 -17.9 PSI 58 58 A 33 CYS C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -85.8 -45.8 PHI 59 59 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 GLN N 1.0 -62.3 -22.3 PSI 60 60 A 34 GLN C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -84.0 -44.0 PHI 61 61 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 GLU N 1.0 -62.6 -22.6 PSI 62 62 A 35 GLN C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -86.1 -46.1 PHI 63 63 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 TYR N 1.0 -59.9 -19.9 PSI 64 64 A 36 GLU C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -85.9 -45.9 PHI 65 65 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 GLN N 1.0 -65.1 -25.1 PSI 66 66 A 37 TYR C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -85.5 -45.5 PHI 67 67 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 ARG N 1.0 -56.5 -16.5 PSI 68 68 A 38 GLN C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -88.2 -48.2 PHI 69 69 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLU N 1.0 -53.7 -13.7 PSI 70 70 A 39 ARG C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -123.2 -75.6 PHI 71 71 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 LYS N 1.0 -31.1 33.1 PSI 72 72 A 40 GLU C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -88.8 -48.8 PHI 73 73 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 GLY N 1.0 -49.8 1.2 PSI 74 74 A 13 CYS N A 13 CYS CA A 13 CYS CB A 13 CYS SG 1.0 150.0 210.0 CHI1 75 75 A 17 CYS N A 17 CYS CA A 17 CYS CB A 17 CYS SG 1.0 -90.0 -30.0 CHI1 76 76 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 150.0 210.0 CHI1 77 77 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 -90.0 -30.0 CHI1 78 78 A 13 CYS CA A 13 CYS CB A 13 CYS SG A 33 CYS SG 1.0 -105.0 -15.0 . 79 79 A 17 CYS CA A 17 CYS CB A 17 CYS SG A 29 CYS SG 1.0 -105.0 -15.0 . 80 80 A 29 CYS CA A 29 CYS CB A 29 CYS SG A 17 CYS SG 1.0 -105.0 -15.0 . 81 81 A 33 CYS CA A 33 CYS CB A 33 CYS SG A 13 CYS SG 1.0 -105.0 -15.0 . stop_ save_