data_nef_c30312_5w9f 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 5W9F 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 8 CYS SG 1 22 CYS SG 1 18 CYS SG 1 33 CYS SG 1 28 CYS SG 1 41 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 SER start . . 2 A 2 GLN middle . . 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 ARG middle . . 6 A 6 LYS middle . . 7 A 7 LYS middle . . 8 A 8 CYS middle -HG . 9 A 9 THR middle . . 10 A 10 GLU middle . . 11 A 11 MET middle . . 12 A 12 LYS middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 PHE middle . . 16 A 16 LYS middle . . 17 A 17 ASN middle . . 18 A 18 CYS middle -HG . 19 A 19 GLU middle . . 20 A 20 VAL middle . . 21 A 21 ARG middle . . 22 A 22 CYS middle -HG . 23 A 23 ASP middle . . 24 A 24 GLU middle . . 25 A 25 SER middle . . 26 A 26 ASN middle . . 27 A 27 HIS middle . . 28 A 28 CYS middle -HG . 29 A 29 VAL middle . . 30 A 30 GLU middle . . 31 A 31 VAL middle . . 32 A 32 ARG middle . . 33 A 33 CYS middle -HG . 34 A 34 SER middle . . 35 A 35 ASP middle . . 36 A 36 THR middle . . 37 A 37 LYS middle . . 38 A 38 TYR middle . . 39 A 39 THR middle . . 40 A 40 LEU middle . . 41 A 41 CYS end -HG . 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 SER HA H 1 4.324 0.030 A 1 SER HBy H 1 4.247 0.030 A 1 SER HBx H 1 4.097 0.030 A 1 SER C C 13 171.681 0.500 A 1 SER CA C 13 56.822 0.500 A 1 SER CB C 13 63.616 0.500 A 2 GLN H H 1 9.185 0.030 A 2 GLN HA H 1 4.272 0.030 A 2 GLN HBy H 1 2.143 0.030 A 2 GLN HBx H 1 2.090 0.030 A 2 GLN HE2x H 1 6.911 0.030 A 2 GLN HE2y H 1 7.577 0.030 A 2 GLN HGx H 1 2.423 0.030 A 2 GLN HGy H 1 2.423 0.030 A 2 GLN C C 13 176.868 0.500 A 2 GLN CA C 13 57.494 0.500 A 2 GLN CB C 13 28.652 0.500 A 2 GLN CG C 13 33.568 0.500 A 2 GLN N N 15 121.028 0.500 A 2 GLN NE2 N 15 112.082 0.500 A 3 GLU H H 1 8.702 0.030 A 3 GLU HA H 1 4.225 0.030 A 3 GLU HBx H 1 2.051 0.030 A 3 GLU HBy H 1 2.051 0.030 A 3 GLU HGx H 1 2.353 0.030 A 3 GLU HGy H 1 2.353 0.030 A 3 GLU C C 13 178.143 0.500 A 3 GLU CA C 13 58.315 0.500 A 3 GLU CB C 13 29.314 0.500 A 3 GLU CG C 13 35.899 0.500 A 3 GLU N N 15 120.974 0.500 A 4 THR H H 1 8.143 0.030 A 4 THR HA H 1 4.124 0.030 A 4 THR HB H 1 4.270 0.030 A 4 THR HG2% H 1 1.191 0.030 A 4 THR C C 13 176.286 0.500 A 4 THR CA C 13 64.380 0.500 A 4 THR CB C 13 68.475 0.500 A 4 THR CG2 C 13 21.929 0.500 A 4 THR N N 15 115.149 0.500 A 5 ARG H H 1 8.288 0.030 A 5 ARG HA H 1 4.188 0.030 A 5 ARG HBx H 1 1.913 0.030 A 5 ARG HBy H 1 1.913 0.030 A 5 ARG HDy H 1 3.233 0.030 A 5 ARG HDx H 1 3.194 0.030 A 5 ARG HE H 1 7.397 0.030 A 5 ARG HGy H 1 1.766 0.030 A 5 ARG HGx H 1 1.643 0.030 A 5 ARG C C 13 178.045 0.500 A 5 ARG CA C 13 58.412 0.500 A 5 ARG CB C 13 29.966 0.500 A 5 ARG CD C 13 43.258 0.500 A 5 ARG CG C 13 27.277 0.500 A 5 ARG N N 15 123.347 0.500 A 5 ARG NE N 15 84.510 0.500 A 6 LYS H H 1 8.143 0.030 A 6 LYS HA H 1 4.150 0.030 A 6 LYS HBx H 1 1.912 0.030 A 6 LYS HBy H 1 1.912 0.030 A 6 LYS HDx H 1 1.713 0.030 A 6 LYS HDy H 1 1.713 0.030 A 6 LYS HEx H 1 2.953 0.030 A 6 LYS HEy H 1 2.953 0.030 A 6 LYS HGy H 1 1.539 0.030 A 6 LYS HGx H 1 1.423 0.030 A 6 LYS C C 13 178.052 0.500 A 6 LYS CA C 13 58.732 0.500 A 6 LYS CB C 13 32.506 0.500 A 6 LYS CD C 13 29.125 0.500 A 6 LYS CE C 13 41.756 0.500 A 6 LYS CG C 13 24.890 0.500 A 6 LYS N N 15 121.460 0.500 A 7 LYS H H 1 8.095 0.030 A 7 LYS HA H 1 4.152 0.030 A 7 LYS HBy H 1 1.905 0.030 A 7 LYS HBx H 1 1.875 0.030 A 7 LYS HDx H 1 1.719 0.030 A 7 LYS HDy H 1 1.719 0.030 A 7 LYS HEx H 1 2.978 0.030 A 7 LYS HEy H 1 2.978 0.030 A 7 LYS HGy H 1 1.549 0.030 A 7 LYS HGx H 1 1.418 0.030 A 7 LYS C C 13 178.155 0.500 A 7 LYS CA C 13 58.732 0.500 A 7 LYS CB C 13 32.136 0.500 A 7 LYS CD C 13 29.229 0.500 A 7 LYS CE C 13 41.930 0.500 A 7 LYS CG C 13 24.957 0.500 A 7 LYS N N 15 120.165 0.500 A 8 CYS H H 1 8.294 0.030 A 8 CYS HA H 1 4.096 0.030 A 8 CYS HBx H 1 3.319 0.030 A 8 CYS HBy H 1 3.319 0.030 A 8 CYS C C 13 176.147 0.500 A 8 CYS CA C 13 59.331 0.500 A 8 CYS CB C 13 39.690 0.500 A 8 CYS N N 15 117.846 0.500 A 9 THR H H 1 8.149 0.030 A 9 THR HA H 1 3.816 0.030 A 9 THR HB H 1 4.301 0.030 A 9 THR HG2% H 1 1.282 0.030 A 9 THR C C 13 176.835 0.500 A 9 THR CA C 13 66.570 0.500 A 9 THR CB C 13 68.568 0.500 A 9 THR CG2 C 13 21.809 0.500 A 9 THR N N 15 114.664 0.500 A 10 GLU H H 1 8.272 0.030 A 10 GLU HA H 1 4.032 0.030 A 10 GLU HBy H 1 2.213 0.030 A 10 GLU HBx H 1 2.093 0.030 A 10 GLU HGy H 1 2.415 0.030 A 10 GLU HGx H 1 2.296 0.030 A 10 GLU C C 13 179.890 0.500 A 10 GLU CA C 13 59.187 0.500 A 10 GLU CB C 13 29.089 0.500 A 10 GLU CG C 13 35.813 0.500 A 10 GLU N N 15 121.082 0.500 A 11 MET H H 1 8.412 0.030 A 11 MET HA H 1 4.544 0.030 A 11 MET HB2 H 1 2.412 0.030 A 11 MET HB3 H 1 1.905 0.030 A 11 MET HE% H 1 2.065 0.030 A 11 MET HGy H 1 2.900 0.030 A 11 MET HGx H 1 2.693 0.030 A 11 MET C C 13 178.255 0.500 A 11 MET CA C 13 57.449 0.500 A 11 MET CB C 13 32.906 0.500 A 11 MET CE C 13 18.963 0.500 A 11 MET CG C 13 33.192 0.500 A 11 MET N N 15 118.817 0.500 A 12 LYS H H 1 8.340 0.030 A 12 LYS HA H 1 3.989 0.030 A 12 LYS HBy H 1 1.960 0.030 A 12 LYS HBx H 1 1.900 0.030 A 12 LYS HDx H 1 1.715 0.030 A 12 LYS HDy H 1 1.715 0.030 A 12 LYS HEy H 1 3.049 0.030 A 12 LYS HEx H 1 3.010 0.030 A 12 LYS HGy H 1 1.712 0.030 A 12 LYS HGx H 1 1.427 0.030 A 12 LYS C C 13 178.655 0.500 A 12 LYS CA C 13 59.682 0.500 A 12 LYS CB C 13 32.564 0.500 A 12 LYS CD C 13 29.645 0.500 A 12 LYS CE C 13 42.094 0.500 A 12 LYS CG C 13 26.296 0.500 A 12 LYS N N 15 119.631 0.500 A 13 LYS H H 1 7.364 0.030 A 13 LYS HA H 1 4.075 0.030 A 13 LYS HBx H 1 1.881 0.030 A 13 LYS HBy H 1 1.881 0.030 A 13 LYS HDy H 1 1.679 0.030 A 13 LYS HDx H 1 1.668 0.030 A 13 LYS HEx H 1 2.939 0.030 A 13 LYS HEy H 1 2.939 0.030 A 13 LYS HGy H 1 1.594 0.030 A 13 LYS HGx H 1 1.423 0.030 A 13 LYS C C 13 177.805 0.500 A 13 LYS CA C 13 58.304 0.500 A 13 LYS CB C 13 32.689 0.500 A 13 LYS CD C 13 29.274 0.500 A 13 LYS CE C 13 41.866 0.500 A 13 LYS CG C 13 25.124 0.500 A 13 LYS N N 15 115.971 0.500 A 14 LYS H H 1 7.740 0.030 A 14 LYS HA H 1 3.922 0.030 A 14 LYS HBy H 1 1.693 0.030 A 14 LYS HBx H 1 1.465 0.030 A 14 LYS HDy H 1 1.414 0.030 A 14 LYS HDx H 1 1.365 0.030 A 14 LYS HEy H 1 2.736 0.030 A 14 LYS HEx H 1 2.685 0.030 A 14 LYS HGy H 1 1.045 0.030 A 14 LYS HGx H 1 0.514 0.030 A 14 LYS C C 13 177.328 0.500 A 14 LYS CA C 13 58.304 0.500 A 14 LYS CB C 13 33.248 0.500 A 14 LYS CD C 13 29.027 0.500 A 14 LYS CE C 13 41.763 0.500 A 14 LYS CG C 13 24.584 0.500 A 14 LYS N N 15 118.925 0.500 A 15 PHE H H 1 7.976 0.030 A 15 PHE HA H 1 4.896 0.030 A 15 PHE HB2 H 1 2.752 0.030 A 15 PHE HB3 H 1 3.103 0.030 A 15 PHE HD1 H 1 7.339 0.030 A 15 PHE HD2 H 1 7.339 0.030 A 15 PHE HE1 H 1 7.211 0.030 A 15 PHE HE2 H 1 7.211 0.030 A 15 PHE HZ H 1 6.944 0.030 A 15 PHE C C 13 176.280 0.500 A 15 PHE CA C 13 56.104 0.500 A 15 PHE CB C 13 37.175 0.500 A 15 PHE CD1 C 13 132.179 0.500 A 15 PHE CD2 C 13 132.179 0.500 A 15 PHE CE1 C 13 131.038 0.500 A 15 PHE CE2 C 13 131.038 0.500 A 15 PHE CZ C 13 128.947 0.500 A 15 PHE N N 15 119.169 0.500 A 16 LYS H H 1 7.101 0.030 A 16 LYS HA H 1 4.212 0.030 A 16 LYS HBx H 1 1.875 0.030 A 16 LYS HBy H 1 1.875 0.030 A 16 LYS HDx H 1 1.739 0.030 A 16 LYS HDy H 1 1.739 0.030 A 16 LYS HEx H 1 3.058 0.030 A 16 LYS HEy H 1 3.058 0.030 A 16 LYS HGy H 1 1.469 0.030 A 16 LYS HGx H 1 1.465 0.030 A 16 LYS C C 13 176.866 0.500 A 16 LYS CA C 13 58.650 0.500 A 16 LYS CB C 13 32.391 0.500 A 16 LYS CD C 13 29.325 0.500 A 16 LYS CE C 13 41.894 0.500 A 16 LYS CG C 13 24.146 0.500 A 16 LYS N N 15 119.302 0.500 A 17 ASN H H 1 8.825 0.030 A 17 ASN HA H 1 4.859 0.030 A 17 ASN HBy H 1 3.054 0.030 A 17 ASN HBx H 1 2.955 0.030 A 17 ASN HD2x H 1 6.990 0.030 A 17 ASN HD2y H 1 7.677 0.030 A 17 ASN C C 13 174.614 0.500 A 17 ASN CA C 13 53.382 0.500 A 17 ASN CB C 13 37.898 0.500 A 17 ASN N N 15 114.987 0.500 A 17 ASN ND2 N 15 112.945 0.500 A 18 CYS H H 1 7.848 0.030 A 18 CYS HA H 1 5.205 0.030 A 18 CYS HB2 H 1 3.412 0.030 A 18 CYS HB3 H 1 2.652 0.030 A 18 CYS C C 13 171.765 0.500 A 18 CYS CA C 13 55.334 0.500 A 18 CYS CB C 13 48.435 0.500 A 18 CYS N N 15 117.253 0.500 A 19 GLU H H 1 8.460 0.030 A 19 GLU HA H 1 4.563 0.030 A 19 GLU HB2 H 1 2.053 0.030 A 19 GLU HB3 H 1 2.130 0.030 A 19 GLU HGy H 1 2.359 0.030 A 19 GLU HGx H 1 2.127 0.030 A 19 GLU C C 13 175.353 0.500 A 19 GLU CA C 13 55.497 0.500 A 19 GLU CB C 13 30.615 0.500 A 19 GLU CG C 13 35.754 0.500 A 19 GLU N N 15 122.215 0.500 A 20 VAL H H 1 8.824 0.030 A 20 VAL HA H 1 4.807 0.030 A 20 VAL HB H 1 1.959 0.030 A 20 VAL HG1% H 1 0.765 0.030 A 20 VAL HG2% H 1 0.923 0.030 A 20 VAL C C 13 174.761 0.500 A 20 VAL CA C 13 61.548 0.500 A 20 VAL CB C 13 33.591 0.500 A 20 VAL CG1 C 13 21.974 0.500 A 20 VAL CG2 C 13 22.035 0.500 A 20 VAL N N 15 128.081 0.500 A 21 ARG H H 1 9.220 0.030 A 21 ARG HA H 1 4.704 0.030 A 21 ARG HBy H 1 1.883 0.030 A 21 ARG HBx H 1 1.756 0.030 A 21 ARG HDx H 1 3.154 0.030 A 21 ARG HDy H 1 3.154 0.030 A 21 ARG HE H 1 7.304 0.030 A 21 ARG HGy H 1 1.587 0.030 A 21 ARG HGx H 1 1.490 0.030 A 21 ARG C C 13 174.857 0.500 A 21 ARG CA C 13 54.359 0.500 A 21 ARG CB C 13 32.474 0.500 A 21 ARG CD C 13 43.188 0.500 A 21 ARG CG C 13 27.289 0.500 A 21 ARG N N 15 127.946 0.500 A 21 ARG NE N 15 84.390 0.500 A 22 CYS H H 1 9.127 0.030 A 22 CYS HA H 1 4.753 0.030 A 22 CYS HBy H 1 3.466 0.030 A 22 CYS HBx H 1 3.179 0.030 A 22 CYS C C 13 172.644 0.500 A 22 CYS CA C 13 54.621 0.500 A 22 CYS CB C 13 42.173 0.500 A 22 CYS N N 15 123.915 0.500 A 23 ASP H H 1 8.627 0.030 A 23 ASP HA H 1 4.719 0.030 A 23 ASP HBy H 1 3.118 0.030 A 23 ASP HBx H 1 2.544 0.030 A 23 ASP C C 13 176.316 0.500 A 23 ASP CA C 13 53.428 0.500 A 23 ASP CB C 13 41.316 0.500 A 23 ASP N N 15 124.911 0.500 A 24 GLU H H 1 8.777 0.030 A 24 GLU HA H 1 4.156 0.030 A 24 GLU HBy H 1 2.164 0.030 A 24 GLU HBx H 1 1.992 0.030 A 24 GLU HGy H 1 2.378 0.030 A 24 GLU HGx H 1 2.290 0.030 A 24 GLU C C 13 177.347 0.500 A 24 GLU CA C 13 57.796 0.500 A 24 GLU CB C 13 29.510 0.500 A 24 GLU CG C 13 35.903 0.500 A 24 GLU N N 15 123.293 0.500 A 25 SER H H 1 8.618 0.030 A 25 SER HA H 1 4.293 0.030 A 25 SER HBx H 1 3.892 0.030 A 25 SER HBy H 1 3.892 0.030 A 25 SER C C 13 174.753 0.500 A 25 SER CA C 13 60.143 0.500 A 25 SER CB C 13 63.029 0.500 A 25 SER N N 15 115.110 0.500 A 26 ASN H H 1 7.687 0.030 A 26 ASN HA H 1 4.655 0.030 A 26 ASN HBy H 1 2.823 0.030 A 26 ASN HBx H 1 2.766 0.030 A 26 ASN HD2y H 1 7.635 0.030 A 26 ASN HD2x H 1 6.697 0.030 A 26 ASN C C 13 174.519 0.500 A 26 ASN CA C 13 52.240 0.500 A 26 ASN CB C 13 38.636 0.500 A 26 ASN N N 15 117.489 0.500 A 26 ASN ND2 N 15 111.623 0.500 A 27 HIS H H 1 8.006 0.030 A 27 HIS HA H 1 4.485 0.030 A 27 HIS HBy H 1 3.546 0.030 A 27 HIS HBx H 1 3.344 0.030 A 27 HIS HD2 H 1 7.292 0.030 A 27 HIS HE1 H 1 8.607 0.030 A 27 HIS C C 13 174.285 0.500 A 27 HIS CA C 13 56.483 0.500 A 27 HIS CB C 13 27.000 0.500 A 27 HIS CD2 C 13 119.760 0.500 A 27 HIS CE1 C 13 136.117 0.500 A 27 HIS N N 15 113.452 0.500 A 28 CYS H H 1 8.228 0.030 A 28 CYS HA H 1 5.326 0.030 A 28 CYS HBy H 1 3.262 0.030 A 28 CYS HBx H 1 2.602 0.030 A 28 CYS C C 13 173.116 0.500 A 28 CYS CA C 13 56.588 0.500 A 28 CYS CB C 13 47.941 0.500 A 28 CYS N N 15 116.364 0.500 A 29 VAL H H 1 9.096 0.030 A 29 VAL HA H 1 4.563 0.030 A 29 VAL HB H 1 2.044 0.030 A 29 VAL HG1% H 1 0.870 0.030 A 29 VAL HG2% H 1 0.977 0.030 A 29 VAL C C 13 174.105 0.500 A 29 VAL CA C 13 61.242 0.500 A 29 VAL CB C 13 34.214 0.500 A 29 VAL CG1 C 13 22.285 0.500 A 29 VAL CG2 C 13 21.698 0.500 A 29 VAL N N 15 122.107 0.500 A 30 GLU H H 1 8.788 0.030 A 30 GLU HA H 1 5.066 0.030 A 30 GLU HBy H 1 1.982 0.030 A 30 GLU HBx H 1 1.942 0.030 A 30 GLU HGy H 1 2.216 0.030 A 30 GLU HGx H 1 2.087 0.030 A 30 GLU C C 13 174.758 0.500 A 30 GLU CA C 13 54.648 0.500 A 30 GLU CB C 13 31.623 0.500 A 30 GLU CG C 13 35.574 0.500 A 30 GLU N N 15 126.214 0.500 A 31 VAL H H 1 9.115 0.030 A 31 VAL HA H 1 4.584 0.030 A 31 VAL HB H 1 1.564 0.030 A 31 VAL HG1% H 1 0.338 0.030 A 31 VAL HG2% H 1 0.515 0.030 A 31 VAL C C 13 174.853 0.500 A 31 VAL CA C 13 61.003 0.500 A 31 VAL CB C 13 33.737 0.500 A 31 VAL CG1 C 13 21.856 0.500 A 31 VAL CG2 C 13 20.401 0.500 A 31 VAL N N 15 126.530 0.500 A 32 ARG H H 1 9.264 0.030 A 32 ARG HA H 1 4.880 0.030 A 32 ARG HBy H 1 1.957 0.030 A 32 ARG HBx H 1 1.781 0.030 A 32 ARG HDy H 1 3.170 0.030 A 32 ARG HDx H 1 3.141 0.030 A 32 ARG HE H 1 7.321 0.030 A 32 ARG HGy H 1 1.509 0.030 A 32 ARG HGx H 1 1.482 0.030 A 32 ARG C C 13 175.690 0.500 A 32 ARG CA C 13 55.302 0.500 A 32 ARG CB C 13 31.663 0.500 A 32 ARG CD C 13 43.369 0.500 A 32 ARG CG C 13 27.433 0.500 A 32 ARG N N 15 127.285 0.500 A 32 ARG NE N 15 84.030 0.500 A 33 CYS H H 1 8.766 0.030 A 33 CYS HA H 1 5.113 0.030 A 33 CYS HB2 H 1 3.077 0.030 A 33 CYS HB3 H 1 3.531 0.030 A 33 CYS C C 13 174.290 0.500 A 33 CYS CA C 13 52.964 0.500 A 33 CYS CB C 13 42.795 0.500 A 33 CYS N N 15 126.422 0.500 A 34 SER H H 1 9.086 0.030 A 34 SER HA H 1 4.097 0.030 A 34 SER HBy H 1 4.026 0.030 A 34 SER HBx H 1 3.991 0.030 A 34 SER C C 13 174.994 0.500 A 34 SER CA C 13 61.023 0.500 A 34 SER CB C 13 61.865 0.500 A 34 SER N N 15 117.900 0.500 A 35 ASP H H 1 8.519 0.030 A 35 ASP HA H 1 4.717 0.030 A 35 ASP HBy H 1 2.767 0.030 A 35 ASP HBx H 1 2.726 0.030 A 35 ASP C C 13 175.458 0.500 A 35 ASP CA C 13 53.686 0.500 A 35 ASP CB C 13 40.944 0.500 A 35 ASP N N 15 117.576 0.500 A 36 THR H H 1 7.370 0.030 A 36 THR HA H 1 4.386 0.030 A 36 THR HB H 1 3.917 0.030 A 36 THR HG2% H 1 0.903 0.030 A 36 THR C C 13 171.371 0.500 A 36 THR CA C 13 61.111 0.500 A 36 THR CB C 13 70.532 0.500 A 36 THR CG2 C 13 20.822 0.500 A 36 THR N N 15 113.958 0.500 A 37 LYS H H 1 8.092 0.030 A 37 LYS HA H 1 5.128 0.030 A 37 LYS HBy H 1 1.743 0.030 A 37 LYS HBx H 1 1.676 0.030 A 37 LYS HDx H 1 1.561 0.030 A 37 LYS HDy H 1 1.561 0.030 A 37 LYS HEx H 1 2.857 0.030 A 37 LYS HEy H 1 2.857 0.030 A 37 LYS HGy H 1 1.290 0.030 A 37 LYS HGx H 1 1.249 0.030 A 37 LYS C C 13 174.527 0.500 A 37 LYS CA C 13 54.518 0.500 A 37 LYS CB C 13 35.191 0.500 A 37 LYS CD C 13 29.319 0.500 A 37 LYS CE C 13 41.890 0.500 A 37 LYS CG C 13 24.272 0.500 A 37 LYS N N 15 123.359 0.500 A 38 TYR H H 1 8.943 0.030 A 38 TYR HA H 1 4.912 0.030 A 38 TYR HB2 H 1 2.541 0.030 A 38 TYR HB3 H 1 2.990 0.030 A 38 TYR HD1 H 1 6.773 0.030 A 38 TYR HD2 H 1 6.773 0.030 A 38 TYR HE1 H 1 6.628 0.030 A 38 TYR HE2 H 1 6.628 0.030 A 38 TYR C C 13 174.520 0.500 A 38 TYR CA C 13 56.113 0.500 A 38 TYR CB C 13 41.016 0.500 A 38 TYR CD1 C 13 132.885 0.500 A 38 TYR CD2 C 13 132.885 0.500 A 38 TYR CE1 C 13 117.693 0.500 A 38 TYR CE2 C 13 117.693 0.500 A 38 TYR N N 15 120.920 0.500 A 39 THR H H 1 8.754 0.030 A 39 THR HA H 1 4.971 0.030 A 39 THR HB H 1 3.970 0.030 A 39 THR HG2% H 1 1.193 0.030 A 39 THR C C 13 173.348 0.500 A 39 THR CA C 13 62.059 0.500 A 39 THR CB C 13 70.233 0.500 A 39 THR CG2 C 13 22.268 0.500 A 39 THR N N 15 118.883 0.500 A 40 LEU H H 1 9.244 0.030 A 40 LEU HA H 1 4.836 0.030 A 40 LEU HBy H 1 1.749 0.030 A 40 LEU HBx H 1 1.694 0.030 A 40 LEU HD1% H 1 0.935 0.030 A 40 LEU HD2% H 1 0.948 0.030 A 40 LEU HG H 1 1.612 0.030 A 40 LEU C C 13 175.464 0.500 A 40 LEU CA C 13 54.174 0.500 A 40 LEU CB C 13 43.092 0.500 A 40 LEU CD1 C 13 25.806 0.500 A 40 LEU CD2 C 13 24.427 0.500 A 40 LEU CG C 13 27.007 0.500 A 40 LEU N N 15 129.280 0.500 A 41 CYS H H 1 8.703 0.030 A 41 CYS HA H 1 4.949 0.030 A 41 CYS HBy H 1 3.258 0.030 A 41 CYS HBx H 1 2.917 0.030 A 41 CYS CA C 13 56.569 0.500 A 41 CYS CB C 13 45.794 0.500 A 41 CYS N N 15 129.955 0.500 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 3 GLU H A 4 THR H 1.0 0.0 4.33 2 2 A 3 GLU H A 2 GLN HA 1.0 0.0 3.73 3 3 A 3 GLU H A 3 GLU HGx 1.0 0.0 4.49 4 3 A 3 GLU H A 3 GLU HGy 1.0 0.0 4.49 5 4 A 3 GLU H A 3 GLU HBx 1.0 0.0 3.51 6 4 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.51 7 5 A 3 GLU H A 4 THR HG2% 1.0 0.0 5.89 8 6 A 4 THR H A 5 ARG H 1.0 0.0 3.81 9 7 A 8 CYS H A 9 THR H 1.0 0.0 4.39 10 8 A 4 THR H A 4 THR HB 1.0 0.0 3.83 11 9 A 9 THR H A 8 CYS HBx 1.0 0.0 3.82 12 9 A 9 THR H A 8 CYS HBy 1.0 0.0 3.82 13 10 A 4 THR H A 3 GLU HGx 1.0 0.0 5.35 14 10 A 4 THR H A 3 GLU HGy 1.0 0.0 5.35 15 11 A 4 THR H A 3 GLU HBx 1.0 0.0 4.17 16 11 A 4 THR H A 3 GLU HBy 1.0 0.0 4.17 17 12 A 9 THR H A 6 LYS HDx 1.0 0.0 5.89 18 12 A 9 THR H A 6 LYS HDy 1.0 0.0 5.89 19 13 A 4 THR H A 4 THR HG2% 1.0 0.0 4.10 20 14 A 3 GLU H A 5 ARG H 1.0 0.0 5.89 21 15 A 5 ARG H A 8 CYS HBx 1.0 0.0 5.89 22 15 A 5 ARG H A 8 CYS HBy 1.0 0.0 5.89 23 16 A 5 ARG H A 3 GLU HGx 1.0 0.0 5.89 24 16 A 3 GLU HGy A 5 ARG H 1.0 0.0 5.89 25 17 A 5 ARG H A 5 ARG HBx 1.0 0.0 3.51 26 17 A 5 ARG H A 5 ARG HBy 1.0 0.0 3.51 27 18 A 5 ARG H A 5 ARG HGy 1.0 0.0 4.54 28 19 A 5 ARG H A 5 ARG HGx 1.0 0.0 4.54 29 20 A 5 ARG HE A 5 ARG HBx 1.0 0.0 5.37 30 20 A 5 ARG HBy A 5 ARG HE 1.0 0.0 5.37 31 21 A 5 ARG H A 6 LYS H 1.0 0.0 4.00 32 22 A 6 LYS H A 5 ARG HDy 1.0 0.0 5.89 33 23 A 6 LYS H A 5 ARG HDx 1.0 0.0 5.89 34 24 A 6 LYS H A 6 LYS HDx 1.0 0.0 4.95 35 24 A 6 LYS HDy A 6 LYS H 1.0 0.0 4.95 36 25 A 7 LYS H A 8 CYS HBx 1.0 0.0 5.64 37 25 A 8 CYS HBy A 7 LYS H 1.0 0.0 5.64 38 26 A 7 LYS H A 6 LYS HEx 1.0 0.0 5.89 39 26 A 7 LYS H A 6 LYS HEy 1.0 0.0 5.89 40 27 A 7 LYS H A 2 GLN HGx 1.0 0.0 5.89 41 27 A 7 LYS H A 2 GLN HGy 1.0 0.0 5.89 42 28 A 7 LYS H A 6 LYS HDx 1.0 0.0 4.89 43 28 A 6 LYS HDy A 7 LYS H 1.0 0.0 4.89 44 29 A 7 LYS H A 6 LYS HGy 1.0 0.0 5.53 45 30 A 7 LYS H A 7 LYS HGy 1.0 0.0 5.89 46 31 A 7 LYS H A 6 LYS HGx 1.0 0.0 5.53 47 32 A 7 LYS H A 7 LYS HGx 1.0 0.0 5.89 48 33 A 7 LYS H A 29 VAL HG2% 1.0 0.0 5.89 49 34 A 8 CYS H A 7 LYS H 1.0 0.0 4.11 50 35 A 8 CYS H A 8 CYS HBx 1.0 0.0 3.52 51 35 A 8 CYS H A 8 CYS HBy 1.0 0.0 3.52 52 36 A 8 CYS H A 7 LYS HBy 1.0 0.0 4.70 53 37 A 8 CYS H A 7 LYS HBx 1.0 0.0 4.70 54 38 A 8 CYS H A 6 LYS HDx 1.0 0.0 5.89 55 38 A 8 CYS H A 6 LYS HDy 1.0 0.0 5.89 56 39 A 8 CYS H A 7 LYS HDx 1.0 0.0 5.89 57 39 A 8 CYS H A 7 LYS HDy 1.0 0.0 5.89 58 40 A 8 CYS H A 7 LYS HGy 1.0 0.0 5.89 59 41 A 4 THR HG2% A 8 CYS H 1.0 0.0 5.89 60 42 A 8 CYS H A 29 VAL HG2% 1.0 0.0 5.26 61 43 A 9 THR H A 10 GLU HBy 1.0 0.0 5.89 62 44 A 9 THR H A 9 THR HG2% 1.0 0.0 4.43 63 45 A 9 THR HB A 10 GLU H 1.0 0.0 4.23 64 46 A 10 GLU H A 7 LYS HA 1.0 0.0 4.67 65 47 A 10 GLU H A 8 CYS HBx 1.0 0.0 5.89 66 47 A 8 CYS HBy A 10 GLU H 1.0 0.0 5.89 67 48 A 10 GLU H A 13 LYS HEx 1.0 0.0 5.89 68 48 A 10 GLU H A 13 LYS HEy 1.0 0.0 5.89 69 49 A 10 GLU H A 11 MET HB2 1.0 0.0 5.81 70 50 A 10 GLU H A 10 GLU HBy 1.0 0.0 4.19 71 51 A 10 GLU H A 10 GLU HBx 1.0 0.0 4.19 72 52 A 10 GLU H A 13 LYS HBx 1.0 0.0 5.89 73 52 A 10 GLU H A 13 LYS HBy 1.0 0.0 5.89 74 53 A 10 GLU H A 6 LYS HDx 1.0 0.0 5.89 75 53 A 6 LYS HDy A 10 GLU H 1.0 0.0 5.89 76 54 A 10 GLU H A 7 LYS HGy 1.0 0.0 5.89 77 55 A 10 GLU H A 7 LYS HGx 1.0 0.0 5.89 78 56 A 11 MET H A 13 LYS H 1.0 0.0 5.67 79 57 A 9 THR HB A 11 MET H 1.0 0.0 5.89 80 58 A 11 MET H A 9 THR HA 1.0 0.0 5.89 81 59 A 11 MET H A 11 MET HGy 1.0 0.0 4.61 82 60 A 11 MET H A 11 MET HGx 1.0 0.0 4.61 83 61 A 11 MET HB2 A 11 MET H 1.0 0.0 3.98 84 62 A 11 MET H A 10 GLU HBy 1.0 0.0 4.74 85 63 A 11 MET H A 10 GLU HBx 1.0 0.0 4.74 86 64 A 11 MET H A 11 MET HE% 1.0 0.0 5.05 87 65 A 11 MET H A 11 MET HB3 1.0 0.0 4.31 88 66 A 11 MET H A 7 LYS HGx 1.0 0.0 5.89 89 67 A 11 MET H A 20 VAL HG2% 1.0 0.0 5.89 90 68 A 11 MET H A 20 VAL HG1% 1.0 0.0 5.81 91 69 A 13 LYS H A 12 LYS H 1.0 0.0 4.00 92 70 A 9 THR HA A 12 LYS H 1.0 0.0 4.67 93 71 A 12 LYS H A 11 MET HGy 1.0 0.0 5.83 94 72 A 12 LYS H A 11 MET HGx 1.0 0.0 5.83 95 73 A 11 MET HB2 A 12 LYS H 1.0 0.0 4.52 96 74 A 12 LYS H A 12 LYS HGy 1.0 0.0 4.58 97 75 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.58 98 76 A 9 THR HG2% A 12 LYS H 1.0 0.0 5.89 99 77 A 20 VAL HG2% A 12 LYS H 1.0 0.0 4.99 100 78 A 20 VAL HG1% A 12 LYS H 1.0 0.0 4.85 101 79 A 13 LYS H A 14 LYS H 1.0 0.0 3.86 102 80 A 13 LYS H A 11 MET HA 1.0 0.0 5.67 103 81 A 34 SER HA A 36 THR H 1.0 0.0 5.89 104 82 A 13 LYS H A 9 THR HA 1.0 0.0 5.56 105 83 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.71 106 84 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.71 107 85 A 14 LYS H A 11 MET HA 1.0 0.0 4.71 108 86 A 14 LYS H A 10 GLU HA 1.0 0.0 5.36 109 87 A 14 LYS H A 15 PHE HB2 1.0 0.0 5.89 110 88 A 14 LYS H A 13 LYS HBx 1.0 0.0 4.02 111 88 A 13 LYS HBy A 14 LYS H 1.0 0.0 4.02 112 89 A 14 LYS H A 14 LYS HBy 1.0 0.0 4.02 113 90 A 14 LYS H A 14 LYS HBx 1.0 0.0 4.02 114 91 A 14 LYS H A 14 LYS HGy 1.0 0.0 5.30 115 92 A 14 LYS H A 14 LYS HGx 1.0 0.0 5.30 116 93 A 14 LYS H A 15 PHE H 1.0 0.0 3.93 117 94 A 11 MET HA A 15 PHE H 1.0 0.0 5.33 118 95 A 15 PHE HB2 A 15 PHE H 1.0 0.0 4.04 119 96 A 11 MET HB3 A 15 PHE H 1.0 0.0 5.48 120 97 A 15 PHE H A 14 LYS HBy 1.0 0.0 4.60 121 98 A 15 PHE H A 14 LYS HBx 1.0 0.0 4.60 122 99 A 15 PHE H A 14 LYS HGy 1.0 0.0 5.89 123 100 A 20 VAL HG2% A 15 PHE H 1.0 0.0 5.19 124 101 A 15 PHE H A 14 LYS HGx 1.0 0.0 5.89 125 102 A 15 PHE H A 16 LYS H 1.0 0.0 4.77 126 103 A 16 LYS H A 14 LYS HA 1.0 0.0 5.87 127 104 A 16 LYS H A 15 PHE HB3 1.0 0.0 5.74 128 105 A 16 LYS H A 16 LYS HEx 1.0 0.0 5.89 129 105 A 16 LYS H A 16 LYS HEy 1.0 0.0 5.89 130 106 A 15 PHE HB2 A 16 LYS H 1.0 0.0 5.89 131 107 A 16 LYS H A 16 LYS HBx 1.0 0.0 3.60 132 107 A 16 LYS H A 16 LYS HBy 1.0 0.0 3.60 133 108 A 16 LYS H A 16 LYS HGy 1.0 0.0 4.78 134 109 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.78 135 110 A 17 ASN HD2x A 16 LYS HBx 1.0 0.0 5.89 136 110 A 16 LYS HBy A 17 ASN HD2x 1.0 0.0 5.89 137 111 A 17 ASN H A 17 ASN HD2y 1.0 0.0 5.89 138 112 A 16 LYS H A 17 ASN H 1.0 0.0 4.34 139 113 A 17 ASN H A 15 PHE HA 1.0 0.0 4.59 140 114 A 17 ASN H A 17 ASN HBy 1.0 0.0 4.33 141 115 A 17 ASN H A 17 ASN HBx 1.0 0.0 4.33 142 116 A 17 ASN H A 16 LYS HBx 1.0 0.0 4.42 143 116 A 16 LYS HBy A 17 ASN H 1.0 0.0 4.42 144 117 A 17 ASN H A 16 LYS HDx 1.0 0.0 5.85 145 117 A 17 ASN H A 16 LYS HDy 1.0 0.0 5.85 146 118 A 17 ASN HD2y A 17 ASN HA 1.0 0.0 5.89 147 119 A 17 ASN HD2y A 16 LYS HBx 1.0 0.0 5.89 148 119 A 16 LYS HBy A 17 ASN HD2y 1.0 0.0 5.89 149 120 A 17 ASN H A 18 CYS H 1.0 0.0 3.91 150 121 A 18 CYS H A 19 GLU H 1.0 0.0 5.49 151 122 A 15 PHE HA A 18 CYS H 1.0 0.0 5.25 152 123 A 18 CYS H A 16 LYS HA 1.0 0.0 5.00 153 124 A 18 CYS H A 18 CYS HB2 1.0 0.0 4.15 154 125 A 15 PHE HB3 A 18 CYS H 1.0 0.0 5.11 155 126 A 18 CYS H A 17 ASN HBy 1.0 0.0 5.82 156 127 A 18 CYS H A 17 ASN HBx 1.0 0.0 5.82 157 128 A 18 CYS H A 16 LYS HBx 1.0 0.0 5.89 158 128 A 16 LYS HBy A 18 CYS H 1.0 0.0 5.89 159 129 A 20 VAL HG2% A 18 CYS H 1.0 0.0 5.51 160 130 A 18 CYS H A 31 VAL HG1% 1.0 0.0 5.79 161 131 A 19 GLU H A 32 ARG H 1.0 0.0 4.71 162 132 A 19 GLU H A 18 CYS HA 1.0 0.0 3.72 163 133 A 19 GLU H A 32 ARG HA 1.0 0.0 5.89 164 134 A 19 GLU H A 18 CYS HB2 1.0 0.0 4.43 165 135 A 19 GLU H A 33 CYS HB2 1.0 0.0 5.89 166 136 A 19 GLU H A 18 CYS HB3 1.0 0.0 3.87 167 137 A 19 GLU H A 19 GLU HGy 1.0 0.0 5.62 168 138 A 19 GLU H A 32 ARG HBx 1.0 0.0 5.41 169 139 A 19 GLU H A 31 VAL HG1% 1.0 0.0 5.26 170 140 A 20 VAL H A 19 GLU HGy 1.0 0.0 5.53 171 141 A 20 VAL H A 19 GLU HB3 1.0 0.0 5.03 172 142 A 20 VAL H A 19 GLU HGx 1.0 0.0 5.53 173 143 A 20 VAL H A 20 VAL HB 1.0 0.0 3.84 174 144 A 20 VAL H A 12 LYS HDx 1.0 0.0 5.86 175 144 A 20 VAL H A 12 LYS HDy 1.0 0.0 5.86 176 145 A 20 VAL HG1% A 20 VAL H 1.0 0.0 4.96 177 146 A 21 ARG H A 30 GLU H 1.0 0.0 4.80 178 147 A 21 ARG H A 20 VAL HA 1.0 0.0 3.63 179 148 A 21 ARG H A 31 VAL HA 1.0 0.0 4.77 180 149 A 21 ARG H A 21 ARG HGy 1.0 0.0 5.38 181 150 A 21 ARG H A 29 VAL HG1% 1.0 0.0 4.85 182 151 A 20 VAL HG1% A 21 ARG H 1.0 0.0 4.39 183 152 A 21 ARG HA A 22 CYS H 1.0 0.0 3.79 184 153 A 22 CYS H A 21 ARG HBy 1.0 0.0 5.32 185 154 A 22 CYS H A 21 ARG HBx 1.0 0.0 5.32 186 155 A 22 CYS H A 21 ARG HGx 1.0 0.0 5.83 187 156 A 29 VAL HG1% A 22 CYS H 1.0 0.0 5.89 188 157 A 22 CYS H A 23 ASP H 1.0 0.0 5.37 189 158 A 23 ASP H A 22 CYS HA 1.0 0.0 3.68 190 159 A 23 ASP H A 29 VAL HA 1.0 0.0 4.88 191 160 A 23 ASP H A 22 CYS HBy 1.0 0.0 5.50 192 161 A 23 ASP H A 23 ASP HBy 1.0 0.0 4.34 193 162 A 23 ASP H A 23 ASP HBx 1.0 0.0 4.34 194 163 A 29 VAL HG2% A 23 ASP H 1.0 0.0 5.45 195 164 A 24 GLU H A 25 SER HBx 1.0 0.0 5.89 196 164 A 24 GLU H A 25 SER HBy 1.0 0.0 5.89 197 165 A 24 GLU H A 23 ASP HBy 1.0 0.0 5.31 198 166 A 24 GLU H A 23 ASP HBx 1.0 0.0 5.31 199 167 A 24 GLU H A 24 GLU HGy 1.0 0.0 4.90 200 168 A 24 GLU H A 24 GLU HGx 1.0 0.0 4.90 201 169 A 24 GLU H A 25 SER H 1.0 0.0 4.22 202 170 A 25 SER H A 26 ASN H 1.0 0.0 4.19 203 171 A 25 SER H A 23 ASP HA 1.0 0.0 5.46 204 172 A 25 SER H A 25 SER HBx 1.0 0.0 3.87 205 172 A 25 SER HBy A 25 SER H 1.0 0.0 3.87 206 173 A 25 SER H A 23 ASP HBy 1.0 0.0 5.89 207 174 A 25 SER H A 24 GLU HBy 1.0 0.0 5.04 208 175 A 25 SER H A 24 GLU HBx 1.0 0.0 5.04 209 176 A 26 ASN HA A 26 ASN HD2y 1.0 0.0 5.89 210 177 A 26 ASN H A 27 HIS HA 1.0 0.0 5.89 211 178 A 26 ASN H A 25 SER HBx 1.0 0.0 4.83 212 178 A 25 SER HBy A 26 ASN H 1.0 0.0 4.83 213 179 A 26 ASN H A 23 ASP HBy 1.0 0.0 5.89 214 180 A 24 GLU H A 27 HIS H 1.0 0.0 5.89 215 181 A 26 ASN H A 27 HIS H 1.0 0.0 4.63 216 182 A 27 HIS H A 24 GLU HA 1.0 0.0 5.89 217 183 A 27 HIS H A 26 ASN HBx 1.0 0.0 5.89 218 184 A 27 HIS H A 28 CYS H 1.0 0.0 4.60 219 185 A 28 CYS H A 27 HIS HBy 1.0 0.0 5.89 220 186 A 4 THR HG2% A 28 CYS H 1.0 0.0 5.71 221 187 A 29 VAL H A 41 CYS HA 1.0 0.0 5.20 222 188 A 29 VAL H A 28 CYS HBy 1.0 0.0 5.08 223 189 A 29 VAL H A 28 CYS HBx 1.0 0.0 5.08 224 190 A 29 VAL H A 29 VAL HB 1.0 0.0 4.48 225 191 A 29 VAL H A 7 LYS HDx 1.0 0.0 5.68 226 191 A 7 LYS HDy A 29 VAL H 1.0 0.0 5.68 227 192 A 33 CYS H A 34 SER H 1.0 0.0 5.19 228 193 A 33 CYS H A 37 LYS HA 1.0 0.0 4.95 229 194 A 32 ARG HA A 33 CYS H 1.0 0.0 3.81 230 195 A 30 GLU H A 22 CYS HA 1.0 0.0 5.35 231 196 A 30 GLU H A 29 VAL HA 1.0 0.0 3.76 232 197 A 33 CYS HB2 A 33 CYS H 1.0 0.0 4.37 233 198 A 30 GLU H A 30 GLU HGy 1.0 0.0 5.81 234 199 A 31 VAL H A 38 TYR H 1.0 0.0 4.76 235 200 A 31 VAL H A 30 GLU HA 1.0 0.0 3.62 236 201 A 31 VAL H A 30 GLU HGy 1.0 0.0 5.52 237 202 A 31 VAL H A 30 GLU HBy 1.0 0.0 5.67 238 203 A 31 VAL H A 30 GLU HBx 1.0 0.0 5.67 239 204 A 31 VAL H A 31 VAL HB 1.0 0.0 4.31 240 205 A 31 VAL H A 39 THR HG2% 1.0 0.0 5.89 241 206 A 31 VAL H A 40 LEU HD1% 1.0 0.0 5.59 242 207 A 32 ARG H A 31 VAL HA 1.0 0.0 3.56 243 208 A 32 ARG H A 18 CYS HB3 1.0 0.0 5.36 244 209 A 32 ARG H A 32 ARG HGy 1.0 0.0 5.89 245 210 A 32 ARG H A 32 ARG HGx 1.0 0.0 5.89 246 211 A 20 VAL HG2% A 32 ARG H 1.0 0.0 5.35 247 212 A 32 ARG H A 31 VAL HG2% 1.0 0.0 5.22 248 213 A 32 ARG HE A 32 ARG HBy 1.0 0.0 5.59 249 214 A 33 CYS H A 37 LYS HGy 1.0 0.0 5.89 250 215 A 33 CYS H A 37 LYS HGx 1.0 0.0 5.89 251 216 A 34 SER H A 35 ASP H 1.0 0.0 4.70 252 217 A 34 SER H A 33 CYS HB3 1.0 0.0 4.02 253 218 A 33 CYS HB2 A 34 SER H 1.0 0.0 4.47 254 219 A 36 THR H A 35 ASP H 1.0 0.0 3.76 255 220 A 35 ASP H A 33 CYS HA 1.0 0.0 5.85 256 221 A 35 ASP H A 36 THR HA 1.0 0.0 5.89 257 222 A 35 ASP H A 34 SER HBy 1.0 0.0 4.92 258 223 A 35 ASP H A 33 CYS HB3 1.0 0.0 4.94 259 224 A 33 CYS HB2 A 35 ASP H 1.0 0.0 5.02 260 225 A 35 ASP H A 36 THR HG2% 1.0 0.0 5.64 261 226 A 36 THR H A 34 SER H 1.0 0.0 5.89 262 227 A 36 THR H A 33 CYS H 1.0 0.0 5.15 263 228 A 36 THR H A 37 LYS H 1.0 0.0 5.53 264 229 A 36 THR H A 37 LYS HA 1.0 0.0 5.89 265 230 A 36 THR H A 36 THR HB 1.0 0.0 4.40 266 231 A 36 THR H A 33 CYS HB3 1.0 0.0 5.05 267 232 A 36 THR H A 33 CYS HB2 1.0 0.0 4.59 268 233 A 36 THR H A 35 ASP HBy 1.0 0.0 5.89 269 234 A 36 THR H A 36 THR HG2% 1.0 0.0 4.68 270 235 A 38 TYR H A 37 LYS H 1.0 0.0 5.74 271 236 A 32 ARG HA A 37 LYS H 1.0 0.0 5.89 272 237 A 37 LYS H A 36 THR HB 1.0 0.0 4.59 273 238 A 37 LYS H A 37 LYS HGy 1.0 0.0 5.89 274 239 A 36 THR HG2% A 37 LYS H 1.0 0.0 4.46 275 240 A 37 LYS HA A 38 TYR H 1.0 0.0 3.65 276 241 A 38 TYR H A 37 LYS HBx 1.0 0.0 5.38 277 242 A 38 TYR H A 31 VAL HB 1.0 0.0 4.63 278 243 A 38 TYR H A 36 THR HG2% 1.0 0.0 5.89 279 244 A 38 TYR H A 40 LEU HD1% 1.0 0.0 5.89 280 245 A 38 TYR HA A 39 THR H 1.0 0.0 3.55 281 246 A 39 THR H A 39 THR HB 1.0 0.0 4.07 282 247 A 39 THR H A 38 TYR HB3 1.0 0.0 4.52 283 248 A 39 THR H A 38 TYR HB2 1.0 0.0 4.68 284 249 A 39 THR H A 40 LEU HG 1.0 0.0 5.75 285 250 A 40 LEU HD1% A 39 THR H 1.0 0.0 5.25 286 251 A 28 CYS HA A 40 LEU H 1.0 0.0 5.89 287 252 A 40 LEU H A 39 THR HA 1.0 0.0 3.70 288 253 A 39 THR HB A 40 LEU H 1.0 0.0 5.68 289 254 A 29 VAL HB A 40 LEU H 1.0 0.0 5.35 290 255 A 40 LEU HD1% A 40 LEU H 1.0 0.0 4.89 291 256 A 41 CYS H A 40 LEU HBx 1.0 0.0 5.89 292 257 A 2 GLN H A 2 GLN HGx 1.0 0.0 5.89 293 257 A 2 GLN HGy A 2 GLN H 1.0 0.0 5.89 294 258 A 3 GLU H A 5 ARG HBx 1.0 0.0 5.89 295 258 A 3 GLU H A 5 ARG HBy 1.0 0.0 5.89 296 259 A 3 GLU H A 6 LYS HBx 1.0 0.0 5.89 297 259 A 3 GLU H A 6 LYS HBy 1.0 0.0 5.89 298 260 A 3 GLU H A 4 THR HA 1.0 0.0 5.38 299 261 A 4 THR H A 5 ARG HBx 1.0 0.0 5.34 300 261 A 4 THR H A 5 ARG HBy 1.0 0.0 5.34 301 262 A 9 THR H A 29 VAL HG2% 1.0 0.0 5.89 302 263 A 4 THR H A 2 GLN HGx 1.0 0.0 5.89 303 263 A 4 THR H A 2 GLN HGy 1.0 0.0 5.89 304 264 A 9 THR H A 11 MET HB2 1.0 0.0 5.89 305 265 A 5 ARG H A 4 THR HB 1.0 0.0 4.18 306 266 A 5 ARG H A 3 GLU HBx 1.0 0.0 5.44 307 266 A 3 GLU HBy A 5 ARG H 1.0 0.0 5.44 308 267 A 5 ARG HE A 5 ARG HA 1.0 0.0 5.89 309 268 A 9 THR H A 6 LYS HA 1.0 0.0 5.06 310 269 A 9 THR H A 7 LYS HA 1.0 0.0 5.77 311 270 A 9 THR H A 9 THR HB 1.0 0.0 3.86 312 271 A 4 THR HG2% A 6 LYS H 1.0 0.0 5.89 313 272 A 6 LYS H A 2 GLN HGx 1.0 0.0 5.89 314 272 A 6 LYS H A 2 GLN HGy 1.0 0.0 5.89 315 273 A 6 LYS H A 6 LYS HEx 1.0 0.0 5.89 316 273 A 6 LYS H A 6 LYS HEy 1.0 0.0 5.89 317 274 A 6 LYS H A 8 CYS HBx 1.0 0.0 5.89 318 274 A 8 CYS HBy A 6 LYS H 1.0 0.0 5.89 319 275 A 8 CYS H A 11 MET HGx 1.0 0.0 5.89 320 276 A 8 CYS H A 11 MET HGy 1.0 0.0 5.89 321 277 A 10 GLU H A 11 MET HA 1.0 0.0 5.89 322 278 A 9 THR H A 10 GLU H 1.0 0.0 4.16 323 279 A 10 GLU H A 13 LYS H 1.0 0.0 5.89 324 280 A 9 THR HG2% A 11 MET H 1.0 0.0 5.89 325 281 A 10 GLU H A 11 MET H 1.0 0.0 3.89 326 282 A 12 LYS H A 8 CYS HA 1.0 0.0 5.72 327 283 A 13 LYS H A 20 VAL HG1% 1.0 0.0 5.89 328 284 A 11 MET HB2 A 13 LYS H 1.0 0.0 5.89 329 285 A 13 LYS H A 15 PHE H 1.0 0.0 5.56 330 286 A 12 LYS H A 14 LYS H 1.0 0.0 5.77 331 287 A 16 LYS H A 16 LYS HDx 1.0 0.0 5.26 332 287 A 16 LYS H A 16 LYS HDy 1.0 0.0 5.26 333 288 A 16 LYS H A 13 LYS HA 1.0 0.0 5.89 334 289 A 17 ASN H A 18 CYS HB3 1.0 0.0 5.89 335 290 A 16 LYS H A 18 CYS H 1.0 0.0 5.89 336 291 A 18 CYS H A 15 PHE HD% 1.0 0.0 5.89 337 292 A 19 GLU H A 32 ARG HBy 1.0 0.0 5.41 338 293 A 19 GLU H A 20 VAL H 1.0 0.0 5.16 339 294 A 20 VAL H A 12 LYS HA 1.0 0.0 5.89 340 295 A 20 VAL H A 21 ARG H 1.0 0.0 5.89 341 296 A 32 ARG H A 20 VAL H 1.0 0.0 5.89 342 297 A 21 ARG H A 30 GLU HGx 1.0 0.0 5.89 343 298 A 21 ARG HE A 21 ARG HBy 1.0 0.0 5.89 344 299 A 30 GLU H A 22 CYS H 1.0 0.0 5.89 345 300 A 23 ASP H A 5 ARG HBx 1.0 0.0 5.89 346 300 A 5 ARG HBy A 23 ASP H 1.0 0.0 5.89 347 301 A 4 THR HG2% A 25 SER H 1.0 0.0 5.89 348 302 A 25 SER H A 27 HIS H 1.0 0.0 5.89 349 303 A 26 ASN H A 23 ASP HBx 1.0 0.0 5.89 350 304 A 26 ASN H A 24 GLU HA 1.0 0.0 5.89 351 305 A 24 GLU HA A 28 CYS H 1.0 0.0 5.89 352 306 A 26 ASN H A 28 CYS H 1.0 0.0 5.83 353 307 A 23 ASP H A 28 CYS H 1.0 0.0 5.55 354 308 A 22 CYS HA A 29 VAL H 1.0 0.0 5.89 355 309 A 28 CYS H A 29 VAL H 1.0 0.0 5.89 356 310 A 29 VAL H A 40 LEU H 1.0 0.0 4.82 357 311 A 30 GLU H A 29 VAL H 1.0 0.0 5.87 358 312 A 31 VAL H A 30 GLU HGx 1.0 0.0 5.52 359 313 A 30 GLU H A 31 VAL H 1.0 0.0 5.45 360 314 A 20 VAL HG1% A 32 ARG H 1.0 0.0 5.89 361 315 A 32 ARG H A 33 CYS HA 1.0 0.0 5.89 362 316 A 32 ARG H A 37 LYS HA 1.0 0.0 5.89 363 317 A 37 LYS H A 38 TYR HD% 1.0 0.0 5.89 364 318 A 33 CYS H A 37 LYS H 1.0 0.0 5.89 365 319 A 31 VAL HA A 38 TYR H 1.0 0.0 5.89 366 320 A 39 THR H A 40 LEU H 1.0 0.0 5.59 367 321 A 39 THR HG2% A 41 CYS H 1.0 0.0 5.89 368 322 A 40 LEU H A 41 CYS H 1.0 0.0 5.89 369 323 A 10 GLU H A 10 GLU HGx 1.0 0.0 5.15 370 324 A 29 VAL HG2% A 11 MET H 1.0 0.0 5.89 371 325 A 11 MET H A 7 LYS HGy 1.0 0.0 5.89 372 326 A 11 MET H A 8 CYS HBx 1.0 0.0 5.89 373 326 A 8 CYS HBy A 11 MET H 1.0 0.0 5.89 374 327 A 11 MET H A 8 CYS HA 1.0 0.0 5.19 375 328 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.86 376 329 A 12 LYS H A 12 LYS HBy 1.0 0.0 3.86 377 330 A 15 PHE H A 16 LYS HA 1.0 0.0 5.89 378 331 A 17 ASN HD2x A 17 ASN HA 1.0 0.0 5.89 379 332 A 17 ASN HD2x A 17 ASN H 1.0 0.0 5.89 380 333 A 15 PHE HB2 A 18 CYS H 1.0 0.0 5.82 381 334 A 19 GLU H A 33 CYS HA 1.0 0.0 5.16 382 335 A 31 VAL HG1% A 21 ARG H 1.0 0.0 5.89 383 336 A 22 CYS H A 21 ARG HGy 1.0 0.0 5.83 384 337 A 4 THR HG2% A 23 ASP H 1.0 0.0 5.89 385 338 A 4 THR HB A 27 HIS H 1.0 0.0 5.89 386 339 A 27 HIS H A 25 SER HA 1.0 0.0 5.89 387 340 A 29 VAL HG2% A 28 CYS H 1.0 0.0 5.89 388 341 A 28 CYS H A 41 CYS HA 1.0 0.0 5.89 389 342 A 24 GLU H A 28 CYS H 1.0 0.0 5.89 390 343 A 20 VAL HG1% A 30 GLU H 1.0 0.0 5.89 391 344 A 30 GLU H A 39 THR HG2% 1.0 0.0 5.89 392 345 A 32 ARG H A 20 VAL HA 1.0 0.0 5.34 393 346 A 32 ARG HE A 32 ARG HBx 1.0 0.0 5.59 394 347 A 32 ARG H A 33 CYS H 1.0 0.0 5.89 395 348 A 36 THR H A 32 ARG HA 1.0 0.0 5.89 396 349 A 37 LYS H A 37 LYS HEx 1.0 0.0 5.89 397 349 A 37 LYS H A 37 LYS HEy 1.0 0.0 5.89 398 350 A 38 TYR H A 37 LYS HBy 1.0 0.0 5.38 399 351 A 40 LEU HG A 40 LEU H 1.0 0.0 4.87 400 352 A 29 VAL HA A 40 LEU H 1.0 0.0 5.89 401 353 A 31 VAL H A 40 LEU H 1.0 0.0 5.47 402 354 A 11 MET HB2 A 15 PHE H 1.0 0.0 5.89 403 355 A 19 GLU H A 19 GLU HB2 1.0 0.0 4.24 404 356 A 19 GLU H A 19 GLU HB3 1.0 0.0 4.02 405 357 A 20 VAL HB A 21 ARG H 1.0 0.0 5.49 406 358 A 26 ASN HA A 26 ASN HD2x 1.0 0.0 5.89 407 359 A 30 GLU H A 29 VAL HB 1.0 0.0 4.89 408 360 A 2 GLN HA A 5 ARG HBx 1.0 0.0 4.53 409 360 A 2 GLN HA A 5 ARG HBy 1.0 0.0 4.53 410 361 A 3 GLU H A 2 GLN HBy 1.0 0.0 5.71 411 362 A 4 THR HA A 7 LYS HBy 1.0 0.0 5.38 412 363 A 4 THR HA A 7 LYS HBx 1.0 0.0 5.38 413 364 A 39 THR HG2% A 40 LEU H 1.0 0.0 4.42 414 365 A 29 VAL H A 39 THR HG2% 1.0 0.0 4.84 415 366 A 39 THR HG2% A 39 THR H 1.0 0.0 4.72 416 367 A 4 THR HG2% A 5 ARG H 1.0 0.0 4.99 417 368 A 39 THR HG2% A 39 THR HA 1.0 0.0 4.14 418 369 A 4 THR HG2% A 4 THR HA 1.0 0.0 3.82 419 370 A 39 THR HG2% A 28 CYS HBy 1.0 0.0 4.64 420 371 A 39 THR HG2% A 28 CYS HBx 1.0 0.0 4.64 421 372 A 4 THR HG2% A 5 ARG HBx 1.0 0.0 5.50 422 372 A 4 THR HG2% A 5 ARG HBy 1.0 0.0 5.50 423 373 A 4 THR H A 5 ARG HGy 1.0 0.0 5.89 424 374 A 6 LYS H A 5 ARG HGy 1.0 0.0 5.89 425 375 A 4 THR H A 5 ARG HGx 1.0 0.0 5.89 426 376 A 6 LYS H A 5 ARG HGx 1.0 0.0 5.89 427 377 A 6 LYS H A 5 ARG HBx 1.0 0.0 4.75 428 377 A 5 ARG HBy A 6 LYS H 1.0 0.0 4.75 429 378 A 7 LYS HA A 10 GLU HBx 1.0 0.0 4.99 430 379 A 7 LYS HA A 11 MET HE% 1.0 0.0 5.75 431 380 A 7 LYS HA A 6 LYS HDx 1.0 0.0 4.82 432 380 A 6 LYS HDy A 7 LYS HA 1.0 0.0 4.82 433 381 A 13 LYS HBy A 13 LYS HEx 1.0 0.0 4.95 434 381 A 13 LYS HEy A 13 LYS HBx 1.0 0.0 4.95 435 381 A 13 LYS HEy A 13 LYS HBy 1.0 0.0 4.95 436 381 A 13 LYS HBx A 13 LYS HEx 1.0 0.0 4.95 437 382 A 40 LEU HD2% A 6 LYS HEx 1.0 0.0 5.89 438 382 A 6 LYS HEy A 40 LEU HD2% 1.0 0.0 5.89 439 383 A 8 CYS H A 7 LYS HGx 1.0 0.0 5.89 440 384 A 6 LYS H A 6 LYS HBx 1.0 0.0 4.37 441 384 A 6 LYS H A 6 LYS HBy 1.0 0.0 4.37 442 385 A 13 LYS H A 13 LYS HBx 1.0 0.0 4.10 443 385 A 13 LYS HBy A 13 LYS H 1.0 0.0 4.10 444 386 A 11 MET HB2 A 8 CYS HA 1.0 0.0 5.08 445 387 A 5 ARG HBy A 8 CYS HBx 1.0 0.0 5.36 446 387 A 5 ARG HBx A 8 CYS HBx 1.0 0.0 5.36 447 387 A 8 CYS HBy A 5 ARG HBx 1.0 0.0 5.36 448 387 A 8 CYS HBy A 5 ARG HBy 1.0 0.0 5.36 449 388 A 8 CYS H A 9 THR HA 1.0 0.0 5.89 450 389 A 9 THR HA A 8 CYS HA 1.0 0.0 5.61 451 390 A 9 THR HG2% A 10 GLU H 1.0 0.0 4.90 452 391 A 9 THR HG2% A 6 LYS HA 1.0 0.0 5.37 453 392 A 9 THR HG2% A 10 GLU HA 1.0 0.0 5.48 454 393 A 9 THR HG2% A 9 THR HA 1.0 0.0 3.92 455 394 A 13 LYS H A 10 GLU HA 1.0 0.0 5.32 456 395 A 10 GLU HA A 13 LYS HBx 1.0 0.0 4.42 457 395 A 13 LYS HBy A 10 GLU HA 1.0 0.0 4.42 458 396 A 9 THR H A 10 GLU HBx 1.0 0.0 5.89 459 397 A 10 GLU H A 10 GLU HGy 1.0 0.0 5.15 460 398 A 11 MET H A 10 GLU HGx 1.0 0.0 5.89 461 399 A 11 MET HA A 14 LYS HBx 1.0 0.0 4.86 462 400 A 11 MET HB3 A 20 VAL HG2% 1.0 0.0 5.02 463 401 A 7 LYS HGy A 11 MET HGy 1.0 0.0 5.89 464 402 A 7 LYS HGx A 11 MET HGy 1.0 0.0 5.89 465 403 A 40 LEU HD2% A 11 MET HGy 1.0 0.0 5.89 466 404 A 31 VAL HG2% A 11 MET HGy 1.0 0.0 5.89 467 405 A 11 MET HE% A 15 PHE HD% 1.0 0.0 5.34 468 406 A 11 MET HE% A 15 PHE HE% 1.0 0.0 4.89 469 407 A 11 MET HE% A 11 MET HA 1.0 0.0 4.62 470 408 A 11 MET HE% A 7 LYS HDx 1.0 0.0 4.85 471 408 A 7 LYS HDy A 11 MET HE% 1.0 0.0 4.85 472 409 A 11 MET HE% A 40 LEU HBx 1.0 0.0 5.65 473 410 A 11 MET HE% A 7 LYS HGy 1.0 0.0 5.19 474 411 A 11 MET HE% A 40 LEU HD1% 1.0 0.0 4.72 475 412 A 11 MET HE% A 40 LEU HD2% 1.0 0.0 4.86 476 413 A 11 MET HE% A 31 VAL HG2% 1.0 0.0 4.84 477 414 A 11 MET HB2 A 31 VAL HG2% 1.0 0.0 5.89 478 415 A 8 CYS HA A 11 MET HGx 1.0 0.0 5.89 479 416 A 11 MET HGx A 7 LYS HGy 1.0 0.0 5.89 480 417 A 11 MET HGx A 7 LYS HGx 1.0 0.0 5.89 481 418 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.89 482 418 A 12 LYS HDy A 12 LYS HA 1.0 0.0 4.89 483 419 A 12 LYS H A 12 LYS HDx 1.0 0.0 5.41 484 419 A 12 LYS H A 12 LYS HDy 1.0 0.0 5.41 485 420 A 9 THR HA A 12 LYS HDx 1.0 0.0 5.42 486 420 A 9 THR HA A 12 LYS HDy 1.0 0.0 5.42 487 421 A 9 THR HG2% A 13 LYS HEx 1.0 0.0 5.29 488 421 A 9 THR HG2% A 13 LYS HEy 1.0 0.0 5.29 489 422 A 14 LYS HA A 15 PHE HD% 1.0 0.0 5.76 490 423 A 14 LYS HA A 13 LYS HBx 1.0 0.0 5.44 491 423 A 13 LYS HBy A 14 LYS HA 1.0 0.0 5.44 492 424 A 15 PHE HD% A 14 LYS HGx 1.0 0.0 5.89 493 425 A 15 PHE HE% A 14 LYS HEx 1.0 0.0 5.89 494 426 A 15 PHE HE% A 14 LYS HBx 1.0 0.0 5.89 495 427 A 15 PHE HD% A 14 LYS HDy 1.0 0.0 5.89 496 428 A 15 PHE HD% A 14 LYS HDx 1.0 0.0 5.89 497 429 A 15 PHE HB2 A 12 LYS HA 1.0 0.0 5.89 498 430 A 15 PHE HB2 A 18 CYS HB2 1.0 0.0 4.83 499 431 A 15 PHE HB2 A 31 VAL HG2% 1.0 0.0 5.89 500 432 A 15 PHE HB3 A 18 CYS HB2 1.0 0.0 4.52 501 433 A 18 CYS HB3 A 34 SER H 1.0 0.0 5.89 502 434 A 18 CYS HB3 A 33 CYS H 1.0 0.0 5.89 503 435 A 18 CYS HB3 A 19 GLU HA 1.0 0.0 5.89 504 436 A 18 CYS HB3 A 31 VAL HA 1.0 0.0 5.89 505 437 A 15 PHE HB3 A 18 CYS HB3 1.0 0.0 4.75 506 438 A 20 VAL HG2% A 18 CYS HB3 1.0 0.0 5.23 507 439 A 20 VAL H A 19 GLU HA 1.0 0.0 3.48 508 440 A 32 ARG H A 19 GLU HB2 1.0 0.0 5.89 509 441 A 20 VAL H A 19 GLU HB2 1.0 0.0 5.77 510 442 A 32 ARG H A 19 GLU HB3 1.0 0.0 5.89 511 443 A 19 GLU HB3 A 32 ARG HGy 1.0 0.0 5.89 512 444 A 19 GLU HB3 A 32 ARG HGx 1.0 0.0 5.89 513 445 A 19 GLU H A 19 GLU HGx 1.0 0.0 5.62 514 446 A 20 VAL HG1% A 20 VAL HA 1.0 0.0 4.25 515 447 A 20 VAL HG1% A 11 MET HA 1.0 0.0 5.53 516 448 A 20 VAL HG1% A 31 VAL HA 1.0 0.0 5.89 517 449 A 20 VAL HG1% A 12 LYS HA 1.0 0.0 4.89 518 450 A 20 VAL HG1% A 12 LYS HEx 1.0 0.0 5.89 519 451 A 11 MET HB2 A 20 VAL HG1% 1.0 0.0 4.93 520 452 A 20 VAL HG1% A 12 LYS HGy 1.0 0.0 4.83 521 453 A 20 VAL HG1% A 12 LYS HGx 1.0 0.0 4.83 522 454 A 20 VAL HG2% A 21 ARG H 1.0 0.0 4.63 523 455 A 20 VAL HG2% A 20 VAL H 1.0 0.0 4.15 524 456 A 20 VAL HG2% A 20 VAL HA 1.0 0.0 4.07 525 457 A 20 VAL HG2% A 31 VAL HA 1.0 0.0 4.35 526 458 A 20 VAL HG2% A 12 LYS HA 1.0 0.0 3.89 527 459 A 20 VAL HG2% A 18 CYS HB2 1.0 0.0 4.87 528 460 A 20 VAL HG2% A 15 PHE HB3 1.0 0.0 4.58 529 461 A 20 VAL HG2% A 15 PHE HB2 1.0 0.0 4.31 530 462 A 20 VAL HG2% A 12 LYS HDx 1.0 0.0 5.89 531 462 A 20 VAL HG2% A 12 LYS HDy 1.0 0.0 5.89 532 463 A 20 VAL HB A 31 VAL HA 1.0 0.0 5.89 533 464 A 21 ARG H A 21 ARG HGx 1.0 0.0 5.38 534 465 A 21 ARG HE A 21 ARG HBx 1.0 0.0 5.89 535 466 A 23 ASP H A 22 CYS HBx 1.0 0.0 5.50 536 467 A 31 VAL H A 38 TYR HB2 1.0 0.0 5.80 537 468 A 25 SER H A 23 ASP HBx 1.0 0.0 5.89 538 469 A 31 VAL HB A 38 TYR HB2 1.0 0.0 4.89 539 470 A 40 LEU HD1% A 38 TYR HB2 1.0 0.0 5.06 540 471 A 31 VAL HG1% A 38 TYR HB2 1.0 0.0 5.80 541 472 A 27 HIS H A 26 ASN HBy 1.0 0.0 5.89 542 473 A 28 CYS H A 27 HIS HBx 1.0 0.0 5.89 543 474 A 41 CYS HA A 28 CYS HA 1.0 0.0 4.25 544 475 A 28 CYS HA A 41 CYS HBy 1.0 0.0 5.89 545 476 A 41 CYS HA A 28 CYS HBx 1.0 0.0 5.89 546 477 A 41 CYS HA A 28 CYS HBy 1.0 0.0 5.89 547 478 A 29 VAL HG1% A 29 VAL H 1.0 0.0 5.16 548 479 A 29 VAL HG1% A 31 VAL H 1.0 0.0 5.51 549 480 A 30 GLU H A 29 VAL HG1% 1.0 0.0 4.41 550 481 A 20 VAL HA A 29 VAL HG1% 1.0 0.0 5.40 551 482 A 29 VAL HG1% A 22 CYS HA 1.0 0.0 5.68 552 483 A 29 VAL HG1% A 29 VAL HA 1.0 0.0 4.10 553 484 A 11 MET HB2 A 29 VAL HG1% 1.0 0.0 4.79 554 485 A 11 MET HB3 A 29 VAL HG1% 1.0 0.0 4.44 555 486 A 29 VAL HG1% A 7 LYS HDx 1.0 0.0 5.66 556 486 A 7 LYS HDy A 29 VAL HG1% 1.0 0.0 5.66 557 487 A 29 VAL HG1% A 31 VAL HG2% 1.0 0.0 4.12 558 488 A 29 VAL HG2% A 21 ARG H 1.0 0.0 5.41 559 489 A 29 VAL HG2% A 29 VAL H 1.0 0.0 4.43 560 490 A 29 VAL HG2% A 30 GLU H 1.0 0.0 5.13 561 491 A 29 VAL HG2% A 22 CYS HA 1.0 0.0 5.00 562 492 A 29 VAL HG2% A 29 VAL HA 1.0 0.0 4.23 563 493 A 29 VAL HG2% A 8 CYS HA 1.0 0.0 4.59 564 494 A 29 VAL HG2% A 8 CYS HBx 1.0 0.0 5.04 565 494 A 8 CYS HBy A 29 VAL HG2% 1.0 0.0 5.04 566 495 A 29 VAL HG2% A 11 MET HGy 1.0 0.0 5.38 567 496 A 29 VAL HG2% A 11 MET HGx 1.0 0.0 5.38 568 497 A 29 VAL HG2% A 7 LYS HBy 1.0 0.0 5.39 569 498 A 29 VAL HG2% A 7 LYS HBx 1.0 0.0 5.39 570 499 A 29 VAL HG2% A 7 LYS HDx 1.0 0.0 4.59 571 499 A 29 VAL HG2% A 7 LYS HDy 1.0 0.0 4.59 572 500 A 29 VAL HG2% A 7 LYS HGx 1.0 0.0 5.56 573 501 A 4 THR HG2% A 29 VAL HG2% 1.0 0.0 4.64 574 502 A 29 VAL HG2% A 31 VAL HG2% 1.0 0.0 5.26 575 503 A 29 VAL HB A 7 LYS HDx 1.0 0.0 4.80 576 503 A 7 LYS HDy A 29 VAL HB 1.0 0.0 4.80 577 504 A 29 VAL HB A 40 LEU HBy 1.0 0.0 5.38 578 505 A 30 GLU H A 30 GLU HGx 1.0 0.0 5.81 579 506 A 39 THR HG2% A 30 GLU HGx 1.0 0.0 5.89 580 507 A 20 VAL HA A 31 VAL HA 1.0 0.0 4.33 581 508 A 21 ARG H A 31 VAL HG2% 1.0 0.0 5.21 582 509 A 31 VAL HG2% A 40 LEU H 1.0 0.0 5.78 583 510 A 31 VAL H A 31 VAL HG2% 1.0 0.0 4.41 584 511 A 38 TYR H A 31 VAL HG2% 1.0 0.0 5.56 585 512 A 30 GLU H A 31 VAL HG2% 1.0 0.0 5.75 586 513 A 30 GLU HA A 31 VAL HG2% 1.0 0.0 5.44 587 514 A 20 VAL HA A 31 VAL HG2% 1.0 0.0 5.21 588 515 A 31 VAL HA A 31 VAL HG2% 1.0 0.0 4.22 589 516 A 31 VAL HG2% A 11 MET HGx 1.0 0.0 5.89 590 517 A 31 VAL HG2% A 38 TYR HB2 1.0 0.0 5.26 591 518 A 29 VAL HB A 31 VAL HG2% 1.0 0.0 5.86 592 519 A 11 MET HB3 A 31 VAL HG2% 1.0 0.0 4.98 593 520 A 20 VAL HG2% A 31 VAL HG2% 1.0 0.0 3.68 594 521 A 20 VAL HG1% A 31 VAL HG2% 1.0 0.0 4.10 595 522 A 31 VAL HG1% A 32 ARG H 1.0 0.0 4.39 596 523 A 31 VAL HG1% A 31 VAL H 1.0 0.0 4.95 597 524 A 31 VAL HG1% A 38 TYR H 1.0 0.0 5.30 598 525 A 31 VAL HG1% A 33 CYS H 1.0 0.0 5.29 599 526 A 31 VAL HG1% A 20 VAL HA 1.0 0.0 5.49 600 527 A 31 VAL HG1% A 31 VAL HA 1.0 0.0 4.12 601 528 A 18 CYS HB2 A 31 VAL HG1% 1.0 0.0 4.45 602 529 A 15 PHE HB3 A 31 VAL HG1% 1.0 0.0 4.74 603 530 A 31 VAL HG1% A 33 CYS HB2 1.0 0.0 5.42 604 531 A 31 VAL HG1% A 18 CYS HB3 1.0 0.0 4.33 605 532 A 20 VAL HG2% A 31 VAL HG1% 1.0 0.0 3.99 606 533 A 20 VAL HG1% A 31 VAL HG1% 1.0 0.0 5.26 607 534 A 30 GLU HA A 31 VAL HB 1.0 0.0 5.89 608 535 A 31 VAL HB A 38 TYR HB3 1.0 0.0 5.60 609 536 A 20 VAL HG2% A 31 VAL HB 1.0 0.0 5.89 610 537 A 31 VAL HB A 40 LEU HD1% 1.0 0.0 5.89 611 538 A 18 CYS HB3 A 33 CYS HA 1.0 0.0 4.73 612 539 A 33 CYS HB2 A 36 THR HG2% 1.0 0.0 5.64 613 540 A 35 ASP H A 34 SER HBx 1.0 0.0 4.92 614 541 A 36 THR H A 35 ASP HBx 1.0 0.0 5.89 615 542 A 33 CYS HB2 A 36 THR HB 1.0 0.0 5.63 616 543 A 36 THR HA A 36 THR HG2% 1.0 0.0 4.18 617 544 A 37 LYS H A 37 LYS HGx 1.0 0.0 5.89 618 545 A 32 ARG HA A 37 LYS HGx 1.0 0.0 5.89 619 546 A 32 ARG HA A 37 LYS HBx 1.0 0.0 5.89 620 547 A 32 ARG HA A 37 LYS HBy 1.0 0.0 5.89 621 548 A 40 LEU HD1% A 38 TYR HB3 1.0 0.0 4.74 622 549 A 31 VAL HG2% A 38 TYR HB3 1.0 0.0 5.84 623 550 A 40 LEU HD1% A 7 LYS HEx 1.0 0.0 5.70 624 550 A 40 LEU HD1% A 7 LYS HEy 1.0 0.0 5.70 625 551 A 29 VAL H A 40 LEU HBx 1.0 0.0 5.89 626 552 A 29 VAL HB A 40 LEU HBx 1.0 0.0 5.38 627 553 A 40 LEU H A 40 LEU HD2% 1.0 0.0 5.23 628 554 A 41 CYS H A 40 LEU HD2% 1.0 0.0 5.25 629 555 A 38 TYR HD% A 40 LEU HD2% 1.0 0.0 5.22 630 556 A 40 LEU HD2% A 40 LEU HA 1.0 0.0 4.50 631 557 A 40 LEU HD2% A 7 LYS HEx 1.0 0.0 4.96 632 557 A 40 LEU HD2% A 7 LYS HEy 1.0 0.0 4.96 633 558 A 40 LEU HD2% A 7 LYS HDx 1.0 0.0 4.54 634 558 A 7 LYS HDy A 40 LEU HD2% 1.0 0.0 4.54 635 559 A 29 VAL H A 40 LEU HBy 1.0 0.0 5.89 636 560 A 41 CYS H A 40 LEU HBy 1.0 0.0 5.89 637 561 A 11 MET HE% A 40 LEU HBy 1.0 0.0 5.65 638 562 A 40 LEU HG A 41 CYS H 1.0 0.0 5.89 639 563 A 40 LEU HG A 38 TYR HD% 1.0 0.0 5.89 640 564 A 40 LEU HG A 7 LYS HEx 1.0 0.0 5.76 641 564 A 40 LEU HG A 7 LYS HEy 1.0 0.0 5.76 642 565 A 11 MET HE% A 7 LYS HGx 1.0 0.0 5.19 643 566 A 11 MET HE% A 15 PHE HZ 1.0 0.0 5.77 644 567 A 10 GLU H A 11 MET HE% 1.0 0.0 5.89 645 568 A 3 GLU H A 2 GLN HBx 1.0 0.0 5.71 646 569 A 3 GLU H A 2 GLN HGx 1.0 0.0 5.89 647 569 A 3 GLU H A 2 GLN HGy 1.0 0.0 5.89 648 570 A 4 THR HG2% A 27 HIS HA 1.0 0.0 5.41 649 571 A 4 THR HA A 7 LYS HDx 1.0 0.0 5.89 650 571 A 7 LYS HDy A 4 THR HA 1.0 0.0 5.89 651 572 A 39 THR HG2% A 40 LEU HA 1.0 0.0 5.33 652 573 A 30 GLU HA A 39 THR HG2% 1.0 0.0 5.81 653 574 A 4 THR HG2% A 27 HIS H 1.0 0.0 5.89 654 575 A 5 ARG HA A 5 ARG HDx 1.0 0.0 5.89 655 576 A 2 GLN HA A 5 ARG HGy 1.0 0.0 5.89 656 577 A 2 GLN HA A 5 ARG HGx 1.0 0.0 5.89 657 578 A 5 ARG H A 5 ARG HDx 1.0 0.0 5.89 658 579 A 5 ARG H A 5 ARG HDy 1.0 0.0 5.89 659 580 A 5 ARG HA A 5 ARG HDy 1.0 0.0 5.89 660 581 A 2 GLN HA A 5 ARG HDy 1.0 0.0 5.89 661 582 A 2 GLN HA A 5 ARG HDx 1.0 0.0 5.89 662 583 A 5 ARG HA A 8 CYS HBx 1.0 0.0 4.55 663 583 A 8 CYS HBy A 5 ARG HA 1.0 0.0 4.55 664 584 A 7 LYS HA A 10 GLU HBy 1.0 0.0 4.99 665 585 A 11 MET HE% A 6 LYS HEx 1.0 0.0 5.89 666 585 A 6 LYS HEy A 11 MET HE% 1.0 0.0 5.89 667 586 A 7 LYS HA A 6 LYS HEx 1.0 0.0 5.89 668 586 A 6 LYS HEy A 7 LYS HA 1.0 0.0 5.89 669 587 A 6 LYS HBy A 6 LYS HEx 1.0 0.0 5.89 670 587 A 6 LYS HBx A 6 LYS HEx 1.0 0.0 5.89 671 587 A 6 LYS HEy A 6 LYS HBx 1.0 0.0 5.89 672 587 A 6 LYS HEy A 6 LYS HBy 1.0 0.0 5.89 673 588 A 29 VAL HB A 7 LYS HGy 1.0 0.0 5.89 674 589 A 29 VAL HB A 7 LYS HGx 1.0 0.0 5.89 675 590 A 20 VAL HG1% A 12 LYS HDx 1.0 0.0 5.80 676 590 A 20 VAL HG1% A 12 LYS HDy 1.0 0.0 5.80 677 591 A 7 LYS H A 7 LYS HEx 1.0 0.0 5.89 678 591 A 7 LYS H A 7 LYS HEy 1.0 0.0 5.89 679 592 A 7 LYS HEy A 7 LYS HBy 1.0 0.0 5.89 680 592 A 7 LYS HBy A 7 LYS HEx 1.0 0.0 5.89 681 593 A 7 LYS HEy A 7 LYS HBx 1.0 0.0 5.89 682 593 A 7 LYS HBx A 7 LYS HEx 1.0 0.0 5.89 683 594 A 8 CYS HA A 11 MET HGy 1.0 0.0 5.89 684 595 A 29 VAL HG1% A 8 CYS HA 1.0 0.0 4.88 685 596 A 20 VAL HG1% A 8 CYS HA 1.0 0.0 5.55 686 597 A 11 MET HB3 A 8 CYS HA 1.0 0.0 5.89 687 598 A 8 CYS HA A 12 LYS HGy 1.0 0.0 5.89 688 599 A 8 CYS HA A 12 LYS HGx 1.0 0.0 5.89 689 600 A 8 CYS HBy A 12 LYS HGx 1.0 0.0 5.89 690 600 A 8 CYS HBx A 12 LYS HGx 1.0 0.0 5.89 691 601 A 8 CYS HBy A 12 LYS HGy 1.0 0.0 5.89 692 601 A 12 LYS HGy A 8 CYS HBx 1.0 0.0 5.89 693 602 A 4 THR HG2% A 8 CYS HBx 1.0 0.0 5.89 694 602 A 4 THR HG2% A 8 CYS HBy 1.0 0.0 5.89 695 603 A 9 THR HB A 8 CYS HBx 1.0 0.0 5.84 696 603 A 8 CYS HBy A 9 THR HB 1.0 0.0 5.84 697 604 A 9 THR HG2% A 13 LYS HBx 1.0 0.0 5.78 698 604 A 9 THR HG2% A 13 LYS HBy 1.0 0.0 5.78 699 605 A 9 THR HG2% A 13 LYS H 1.0 0.0 5.89 700 606 A 9 THR HB A 6 LYS HA 1.0 0.0 4.26 701 607 A 9 THR HB A 6 LYS HEx 1.0 0.0 5.89 702 607 A 6 LYS HEy A 9 THR HB 1.0 0.0 5.89 703 608 A 9 THR HB A 13 LYS HEx 1.0 0.0 5.89 704 608 A 9 THR HB A 13 LYS HEy 1.0 0.0 5.89 705 609 A 9 THR HB A 6 LYS HBx 1.0 0.0 5.89 706 609 A 9 THR HB A 6 LYS HBy 1.0 0.0 5.89 707 610 A 9 THR HA A 8 CYS HBx 1.0 0.0 5.85 708 610 A 8 CYS HBy A 9 THR HA 1.0 0.0 5.85 709 611 A 9 THR H A 10 GLU HA 1.0 0.0 5.89 710 612 A 10 GLU HA A 13 LYS HEx 1.0 0.0 5.82 711 612 A 13 LYS HEy A 10 GLU HA 1.0 0.0 5.82 712 613 A 24 GLU HGy A 25 SER H 1.0 0.0 5.89 713 614 A 11 MET HA A 14 LYS HBy 1.0 0.0 4.86 714 615 A 11 MET HB3 A 20 VAL HG1% 1.0 0.0 5.22 715 616 A 15 PHE H A 13 LYS HBx 1.0 0.0 5.89 716 616 A 13 LYS HBy A 15 PHE H 1.0 0.0 5.89 717 617 A 15 PHE H A 16 LYS HBx 1.0 0.0 5.89 718 617 A 15 PHE H A 16 LYS HBy 1.0 0.0 5.89 719 618 A 15 PHE H A 12 LYS HA 1.0 0.0 5.89 720 619 A 15 PHE HA A 18 CYS HB2 1.0 0.0 5.89 721 620 A 15 PHE H A 18 CYS HB2 1.0 0.0 5.89 722 621 A 17 ASN H A 18 CYS HB2 1.0 0.0 5.89 723 622 A 18 CYS HB2 A 20 VAL H 1.0 0.0 5.89 724 623 A 18 CYS HB2 A 32 ARG H 1.0 0.0 5.89 725 624 A 18 CYS HB3 A 31 VAL HG2% 1.0 0.0 5.89 726 625 A 32 ARG HA A 18 CYS HB3 1.0 0.0 5.89 727 626 A 18 CYS HB3 A 15 PHE HD% 1.0 0.0 5.89 728 627 A 11 MET HB2 A 20 VAL HG2% 1.0 0.0 5.86 729 628 A 20 VAL HG2% A 31 VAL H 1.0 0.0 5.59 730 629 A 20 VAL HG1% A 15 PHE H 1.0 0.0 5.89 731 630 A 29 VAL HG2% A 11 MET HB2 1.0 0.0 5.86 732 631 A 29 VAL HG2% A 28 CYS HA 1.0 0.0 5.74 733 632 A 29 VAL HG2% A 22 CYS HBy 1.0 0.0 5.89 734 633 A 29 VAL HG2% A 22 CYS HBx 1.0 0.0 5.89 735 634 A 29 VAL HG2% A 7 LYS HGy 1.0 0.0 5.56 736 635 A 32 ARG H A 31 VAL HB 1.0 0.0 5.89 737 636 A 15 PHE HB3 A 31 VAL HG2% 1.0 0.0 5.89 738 637 A 31 VAL HG2% A 38 TYR HA 1.0 0.0 5.89 739 638 A 19 GLU H A 31 VAL HG2% 1.0 0.0 5.89 740 639 A 11 MET HB3 A 31 VAL HG1% 1.0 0.0 5.89 741 640 A 31 VAL HG1% A 20 VAL HB 1.0 0.0 5.89 742 641 A 11 MET HE% A 31 VAL HG1% 1.0 0.0 5.89 743 642 A 31 VAL HG1% A 19 GLU HB2 1.0 0.0 5.89 744 643 A 15 PHE HB2 A 31 VAL HG1% 1.0 0.0 4.87 745 644 A 31 VAL HG1% A 38 TYR HB3 1.0 0.0 5.89 746 645 A 31 VAL HG1% A 32 ARG HA 1.0 0.0 5.77 747 646 A 31 VAL HG1% A 33 CYS HA 1.0 0.0 5.89 748 647 A 31 VAL HG1% A 18 CYS HA 1.0 0.0 5.89 749 648 A 15 PHE H A 31 VAL HG1% 1.0 0.0 5.89 750 649 A 32 ARG HA A 32 ARG HE 1.0 0.0 4.84 751 650 A 21 ARG H A 21 ARG HDx 1.0 0.0 5.89 752 650 A 21 ARG H A 21 ARG HDy 1.0 0.0 5.89 753 651 A 33 CYS HB3 A 36 THR HB 1.0 0.0 5.89 754 652 A 18 CYS HB3 A 33 CYS HB3 1.0 0.0 5.89 755 653 A 18 CYS HA A 33 CYS HB3 1.0 0.0 5.89 756 654 A 32 ARG HA A 33 CYS HB2 1.0 0.0 5.89 757 655 A 33 CYS H A 36 THR HB 1.0 0.0 5.89 758 656 A 33 CYS HB3 A 36 THR HG2% 1.0 0.0 5.89 759 657 A 37 LYS HA A 36 THR HG2% 1.0 0.0 5.89 760 658 A 4 THR HG2% A 3 GLU HBx 1.0 0.0 4.93 761 658 A 3 GLU HBy A 4 THR HG2% 1.0 0.0 4.93 762 659 A 39 THR HG2% A 30 GLU HGy 1.0 0.0 5.89 763 660 A 39 THR HG2% A 28 CYS HA 1.0 0.0 5.89 764 661 A 38 TYR HB2 A 40 LEU HG 1.0 0.0 5.89 765 662 A 40 LEU HD1% A 31 VAL HG2% 1.0 0.0 4.62 766 663 A 11 MET HB3 A 40 LEU HD1% 1.0 0.0 5.89 767 664 A 40 LEU HD1% A 15 PHE HD% 1.0 0.0 5.89 768 665 A 28 CYS HA A 41 CYS HBx 1.0 0.0 5.89 769 666 A 10 GLU HA A 13 LYS HGx 1.0 0.0 5.89 770 667 A 10 GLU HA A 13 LYS HGy 1.0 0.0 5.89 771 668 A 24 GLU HGx A 25 SER H 1.0 0.0 5.89 772 669 A 11 MET H A 10 GLU HGy 1.0 0.0 5.89 773 670 A 15 PHE HD% A 11 MET HGy 1.0 0.0 5.89 774 671 A 15 PHE HD% A 11 MET HGx 1.0 0.0 5.89 775 672 A 11 MET HB2 A 11 MET HE% 1.0 0.0 5.72 776 673 A 12 LYS H A 12 LYS HEx 1.0 0.0 5.89 777 674 A 12 LYS H A 12 LYS HEy 1.0 0.0 5.89 778 675 A 20 VAL HG1% A 12 LYS HEy 1.0 0.0 5.89 779 676 A 13 LYS H A 13 LYS HDy 1.0 0.0 5.89 780 677 A 13 LYS H A 13 LYS HDx 1.0 0.0 5.89 781 678 A 15 PHE HZ A 14 LYS HDy 1.0 0.0 5.89 782 679 A 15 PHE HB3 A 20 VAL HB 1.0 0.0 5.89 783 680 A 11 MET HB3 A 15 PHE HB2 1.0 0.0 5.89 784 681 A 15 PHE HA A 16 LYS HA 1.0 0.0 5.89 785 682 A 17 ASN HA A 16 LYS HA 1.0 0.0 5.89 786 683 A 16 LYS HA A 16 LYS HEx 1.0 0.0 5.75 787 683 A 16 LYS HEy A 16 LYS HA 1.0 0.0 5.75 788 684 A 16 LYS HA A 16 LYS HDx 1.0 0.0 4.99 789 684 A 16 LYS HDy A 16 LYS HA 1.0 0.0 4.99 790 685 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 5.50 791 685 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 5.50 792 685 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 5.50 793 685 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 5.50 794 686 A 18 CYS HA A 19 GLU HB3 1.0 0.0 5.55 795 687 A 15 PHE HB2 A 18 CYS HA 1.0 0.0 5.89 796 688 A 20 VAL HB A 19 GLU HA 1.0 0.0 5.11 797 689 A 19 GLU HB2 A 32 ARG HGy 1.0 0.0 5.89 798 690 A 19 GLU HB2 A 32 ARG HGx 1.0 0.0 5.89 799 691 A 20 VAL HG2% A 19 GLU H 1.0 0.0 5.52 800 692 A 20 VAL HG1% A 8 CYS HBx 1.0 0.0 5.89 801 692 A 8 CYS HBy A 20 VAL HG1% 1.0 0.0 5.89 802 693 A 20 VAL HG1% A 29 VAL HG1% 1.0 0.0 3.68 803 694 A 20 VAL HG1% A 22 CYS H 1.0 0.0 5.77 804 695 A 20 VAL HG1% A 31 VAL H 1.0 0.0 5.89 805 696 A 37 LYS HA A 32 ARG HGx 1.0 0.0 5.89 806 697 A 21 ARG HA A 21 ARG HDx 1.0 0.0 5.89 807 697 A 21 ARG HA A 21 ARG HDy 1.0 0.0 5.89 808 698 A 32 ARG HA A 32 ARG HDx 1.0 0.0 5.89 809 699 A 4 THR HG2% A 24 GLU HA 1.0 0.0 5.59 810 700 A 4 THR HG2% A 27 HIS HBx 1.0 0.0 5.89 811 701 A 4 THR HG2% A 27 HIS HBy 1.0 0.0 5.89 812 702 A 29 VAL HG1% A 22 CYS HBx 1.0 0.0 5.89 813 703 A 29 VAL HG1% A 8 CYS HBx 1.0 0.0 5.89 814 703 A 8 CYS HBy A 29 VAL HG1% 1.0 0.0 5.89 815 704 A 29 VAL HG1% A 22 CYS HBy 1.0 0.0 5.89 816 705 A 29 VAL HG1% A 7 LYS HGy 1.0 0.0 5.89 817 706 A 29 VAL HG1% A 7 LYS HGx 1.0 0.0 5.89 818 707 A 29 VAL HG1% A 23 ASP H 1.0 0.0 5.78 819 708 A 11 MET H A 29 VAL HG1% 1.0 0.0 5.89 820 709 A 8 CYS H A 29 VAL HG1% 1.0 0.0 5.89 821 710 A 12 LYS H A 29 VAL HG1% 1.0 0.0 5.89 822 711 A 29 VAL HG1% A 15 PHE HD% 1.0 0.0 5.89 823 712 A 29 VAL HG1% A 15 PHE HE% 1.0 0.0 5.89 824 713 A 29 VAL HG1% A 30 GLU HA 1.0 0.0 5.89 825 714 A 31 VAL HG1% A 29 VAL HG1% 1.0 0.0 5.89 826 715 A 39 THR HA A 30 GLU HGx 1.0 0.0 5.89 827 716 A 39 THR HA A 30 GLU HGy 1.0 0.0 5.89 828 717 A 21 ARG H A 30 GLU HGy 1.0 0.0 5.89 829 718 A 37 LYS HA A 32 ARG HGy 1.0 0.0 5.89 830 719 A 32 ARG HA A 32 ARG HDy 1.0 0.0 5.89 831 720 A 18 CYS HB2 A 33 CYS HA 1.0 0.0 5.20 832 721 A 36 THR HA A 37 LYS HBx 1.0 0.0 5.89 833 722 A 33 CYS H A 36 THR HG2% 1.0 0.0 5.87 834 723 A 37 LYS HA A 31 VAL HB 1.0 0.0 5.89 835 724 A 37 LYS HA A 37 LYS HDx 1.0 0.0 5.89 836 724 A 37 LYS HA A 37 LYS HDy 1.0 0.0 5.89 837 725 A 37 LYS HDy A 37 LYS HBy 1.0 0.0 4.43 838 725 A 37 LYS HBy A 37 LYS HDx 1.0 0.0 4.43 839 726 A 37 LYS HDy A 37 LYS HBx 1.0 0.0 4.43 840 726 A 37 LYS HBx A 37 LYS HDx 1.0 0.0 4.43 841 727 A 36 THR HA A 37 LYS HBy 1.0 0.0 5.89 842 728 A 32 ARG HA A 37 LYS HGy 1.0 0.0 5.89 843 729 A 37 LYS H A 37 LYS HDx 1.0 0.0 5.89 844 729 A 37 LYS H A 37 LYS HDy 1.0 0.0 5.89 845 730 A 37 LYS HEy A 37 LYS HBx 1.0 0.0 5.89 846 730 A 37 LYS HBx A 37 LYS HEx 1.0 0.0 5.89 847 731 A 37 LYS HEy A 37 LYS HBy 1.0 0.0 5.89 848 731 A 37 LYS HBy A 37 LYS HEx 1.0 0.0 5.89 849 732 A 31 VAL HG2% A 40 LEU HG 1.0 0.0 5.89 850 733 A 40 LEU HD1% A 40 LEU HA 1.0 0.0 5.64 851 734 A 40 LEU HD1% A 41 CYS H 1.0 0.0 5.61 852 735 A 40 LEU HD2% A 15 PHE HE% 1.0 0.0 5.86 853 736 A 40 LEU HD2% A 15 PHE HZ 1.0 0.0 5.89 854 737 A 40 LEU HD2% A 38 TYR HE% 1.0 0.0 5.78 855 738 A 38 TYR HB2 A 40 LEU HD2% 1.0 0.0 5.77 856 739 A 40 LEU HD2% A 11 MET HGx 1.0 0.0 5.89 857 740 A 20 VAL HG1% A 11 MET HGy 1.0 0.0 5.89 858 741 A 20 VAL HG1% A 11 MET HGx 1.0 0.0 5.89 859 742 A 29 VAL HG1% A 7 LYS HEx 1.0 0.0 5.89 860 742 A 29 VAL HG1% A 7 LYS HEy 1.0 0.0 5.89 861 743 A 15 PHE HE% A 11 MET HGx 1.0 0.0 5.89 862 744 A 15 PHE HE% A 14 LYS HEy 1.0 0.0 5.89 863 745 A 11 MET HB3 A 15 PHE HE% 1.0 0.0 5.80 864 746 A 15 PHE HE% A 14 LYS HBy 1.0 0.0 5.89 865 747 A 40 LEU HD1% A 15 PHE HE% 1.0 0.0 4.54 866 748 A 31 VAL HG2% A 15 PHE HE% 1.0 0.0 4.93 867 749 A 31 VAL HG1% A 15 PHE HE% 1.0 0.0 5.39 868 750 A 15 PHE H A 15 PHE HD% 1.0 0.0 4.30 869 751 A 15 PHE HA A 15 PHE HD% 1.0 0.0 4.13 870 752 A 11 MET HA A 15 PHE HD% 1.0 0.0 4.50 871 753 A 18 CYS HB2 A 15 PHE HD% 1.0 0.0 5.28 872 754 A 11 MET HB2 A 15 PHE HD% 1.0 0.0 5.23 873 755 A 11 MET HB3 A 15 PHE HD% 1.0 0.0 4.50 874 756 A 15 PHE HD% A 14 LYS HBy 1.0 0.0 4.78 875 757 A 15 PHE HD% A 14 LYS HBx 1.0 0.0 4.78 876 758 A 20 VAL HG2% A 15 PHE HD% 1.0 0.0 4.33 877 759 A 31 VAL HG2% A 15 PHE HD% 1.0 0.0 4.31 878 760 A 31 VAL HG1% A 15 PHE HD% 1.0 0.0 4.30 879 761 A 15 PHE HZ A 14 LYS HDx 1.0 0.0 5.89 880 762 A 40 LEU HD1% A 15 PHE HZ 1.0 0.0 4.87 881 763 A 31 VAL HG2% A 15 PHE HZ 1.0 0.0 5.78 882 764 A 27 HIS HA A 27 HIS HD2 1.0 0.0 5.09 883 765 A 24 GLU HA A 27 HIS HD2 1.0 0.0 5.69 884 766 A 36 THR HB A 38 TYR HE% 1.0 0.0 4.89 885 767 A 11 MET HE% A 38 TYR HE% 1.0 0.0 5.15 886 768 A 11 MET HB3 A 38 TYR HE% 1.0 0.0 5.39 887 769 A 31 VAL HB A 38 TYR HE% 1.0 0.0 4.77 888 770 A 36 THR HG2% A 38 TYR HE% 1.0 0.0 4.52 889 771 A 40 LEU HD1% A 38 TYR HE% 1.0 0.0 4.11 890 772 A 31 VAL HG2% A 38 TYR HE% 1.0 0.0 5.14 891 773 A 31 VAL HG1% A 38 TYR HE% 1.0 0.0 4.64 892 774 A 31 VAL H A 38 TYR HD% 1.0 0.0 5.54 893 775 A 38 TYR H A 38 TYR HD% 1.0 0.0 4.42 894 776 A 39 THR H A 38 TYR HD% 1.0 0.0 4.90 895 777 A 37 LYS HA A 38 TYR HD% 1.0 0.0 5.02 896 778 A 38 TYR HA A 38 TYR HD% 1.0 0.0 4.27 897 779 A 31 VAL HB A 38 TYR HD% 1.0 0.0 3.98 898 780 A 36 THR HG2% A 38 TYR HD% 1.0 0.0 4.70 899 781 A 40 LEU HD1% A 38 TYR HD% 1.0 0.0 4.83 900 782 A 31 VAL HG2% A 38 TYR HD% 1.0 0.0 4.69 901 783 A 31 VAL HG1% A 38 TYR HD% 1.0 0.0 4.12 902 784 A 24 GLU HA A 27 HIS HE1 1.0 0.0 5.89 903 785 A 20 VAL HG1% A 15 PHE HD% 1.0 0.0 5.67 904 786 A 15 PHE HD% A 14 LYS HGy 1.0 0.0 5.89 905 787 A 15 PHE HD% A 12 LYS HA 1.0 0.0 5.89 906 788 A 15 PHE HE% A 11 MET HGy 1.0 0.0 5.89 907 789 A 11 MET HA A 15 PHE HE% 1.0 0.0 5.89 908 790 A 15 PHE HA A 15 PHE HE% 1.0 0.0 5.89 909 791 A 15 PHE H A 15 PHE HE% 1.0 0.0 5.89 910 792 A 31 VAL HG1% A 15 PHE HZ 1.0 0.0 5.89 911 793 A 15 PHE HD% A 15 PHE HZ 1.0 0.0 4.34 912 794 A 40 LEU H A 38 TYR HD% 1.0 0.0 5.89 913 795 A 39 THR HG2% A 38 TYR HD% 1.0 0.0 5.89 914 796 A 11 MET HE% A 38 TYR HD% 1.0 0.0 5.64 915 797 A 36 THR HB A 38 TYR HD% 1.0 0.0 5.89 916 798 A 27 HIS H A 27 HIS HD2 1.0 0.0 5.89 917 799 A 26 ASN HA A 27 HIS HD2 1.0 0.0 5.89 918 800 A 38 TYR H A 38 TYR HE% 1.0 0.0 5.89 919 801 A 33 CYS H A 38 TYR HE% 1.0 0.0 5.89 920 802 A 33 CYS HB3 A 38 TYR HE% 1.0 0.0 5.87 921 803 A 20 VAL HA A 38 TYR HE% 1.0 0.0 5.89 922 804 A 37 LYS HA A 38 TYR HE% 1.0 0.0 5.89 923 805 A 15 PHE HE% A 38 TYR HE% 1.0 0.0 4.89 924 806 A 18 CYS HB3 A 38 TYR HE% 1.0 0.0 5.89 925 807 A 33 CYS HB2 A 38 TYR HE% 1.0 0.0 5.18 926 808 A 4 THR HA A 7 LYS HBy 1.0 0.0 4.57 927 808 A 4 THR HA A 7 LYS HBx 1.0 0.0 4.57 928 809 A 4 THR HB A 5 ARG HGx 1.0 0.0 5.71 929 809 A 4 THR HB A 5 ARG HGy 1.0 0.0 5.71 930 810 A 4 THR HG2% A 5 ARG HGx 1.0 0.0 5.45 931 810 A 4 THR HG2% A 5 ARG HGy 1.0 0.0 5.45 932 811 A 5 ARG H A 5 ARG HGx 1.0 0.0 3.88 933 811 A 5 ARG H A 5 ARG HGy 1.0 0.0 3.88 934 812 A 5 ARG HA A 5 ARG HDy 1.0 0.0 5.15 935 812 A 5 ARG HA A 5 ARG HDx 1.0 0.0 5.15 936 813 A 23 ASP H A 5 ARG HGx 1.0 0.0 5.71 937 813 A 23 ASP H A 5 ARG HGy 1.0 0.0 5.71 938 814 A 6 LYS H A 6 LYS HGx 1.0 0.0 5.10 939 814 A 6 LYS H A 6 LYS HGy 1.0 0.0 5.10 940 815 A 7 LYS H A 6 LYS HGx 1.0 0.0 4.68 941 815 A 7 LYS H A 6 LYS HGy 1.0 0.0 4.68 942 816 A 8 CYS H A 6 LYS HGx 1.0 0.0 5.71 943 816 A 8 CYS H A 6 LYS HGy 1.0 0.0 5.71 944 817 A 9 THR H A 6 LYS HGx 1.0 0.0 5.71 945 817 A 9 THR H A 6 LYS HGy 1.0 0.0 5.71 946 818 A 10 GLU H A 6 LYS HGx 1.0 0.0 5.71 947 818 A 10 GLU H A 6 LYS HGy 1.0 0.0 5.71 948 819 A 6 LYS HGx A 10 GLU HBx 1.0 0.0 5.54 949 819 A 6 LYS HGy A 10 GLU HBx 1.0 0.0 5.54 950 819 A 10 GLU HBy A 6 LYS HGx 1.0 0.0 5.54 951 819 A 6 LYS HGy A 10 GLU HBy 1.0 0.0 5.54 952 820 A 6 LYS HEx A 7 LYS HBy 1.0 0.0 5.71 953 820 A 6 LYS HEy A 7 LYS HBy 1.0 0.0 5.71 954 820 A 7 LYS HBx A 6 LYS HEx 1.0 0.0 5.71 955 820 A 6 LYS HEy A 7 LYS HBx 1.0 0.0 5.71 956 821 A 7 LYS H A 7 LYS HBy 1.0 0.0 3.85 957 821 A 7 LYS H A 7 LYS HBx 1.0 0.0 3.85 958 822 A 7 LYS HA A 10 GLU HBx 1.0 0.0 4.34 959 822 A 7 LYS HA A 10 GLU HBy 1.0 0.0 4.34 960 823 A 7 LYS HA A 10 GLU HGy 1.0 0.0 5.59 961 823 A 7 LYS HA A 10 GLU HGx 1.0 0.0 5.59 962 824 A 7 LYS HA A 11 MET HGy 1.0 0.0 5.71 963 824 A 7 LYS HA A 11 MET HGx 1.0 0.0 5.71 964 825 A 8 CYS H A 7 LYS HBy 1.0 0.0 3.97 965 825 A 8 CYS H A 7 LYS HBx 1.0 0.0 3.97 966 826 A 8 CYS HA A 7 LYS HBy 1.0 0.0 5.40 967 826 A 8 CYS HA A 7 LYS HBx 1.0 0.0 5.40 968 827 A 7 LYS HBy A 8 CYS HBx 1.0 0.0 5.71 969 827 A 7 LYS HBx A 8 CYS HBx 1.0 0.0 5.71 970 827 A 8 CYS HBy A 7 LYS HBy 1.0 0.0 5.71 971 827 A 8 CYS HBy A 7 LYS HBx 1.0 0.0 5.71 972 828 A 11 MET HE% A 7 LYS HBy 1.0 0.0 5.71 973 828 A 11 MET HE% A 7 LYS HBx 1.0 0.0 5.71 974 829 A 29 VAL HG2% A 7 LYS HBy 1.0 0.0 4.57 975 829 A 29 VAL HG2% A 7 LYS HBx 1.0 0.0 4.57 976 830 A 8 CYS H A 7 LYS HGx 1.0 0.0 5.16 977 830 A 8 CYS H A 7 LYS HGy 1.0 0.0 5.16 978 831 A 8 CYS HA A 7 LYS HGx 1.0 0.0 5.67 979 831 A 8 CYS HA A 7 LYS HGy 1.0 0.0 5.67 980 832 A 7 LYS HGx A 8 CYS HBx 1.0 0.0 5.71 981 832 A 7 LYS HGy A 8 CYS HBx 1.0 0.0 5.71 982 832 A 8 CYS HBy A 7 LYS HGx 1.0 0.0 5.71 983 832 A 8 CYS HBy A 7 LYS HGy 1.0 0.0 5.71 984 833 A 7 LYS HGx A 10 GLU HBx 1.0 0.0 5.09 985 833 A 7 LYS HGy A 10 GLU HBx 1.0 0.0 5.09 986 833 A 10 GLU HBy A 7 LYS HGx 1.0 0.0 5.09 987 833 A 10 GLU HBy A 7 LYS HGy 1.0 0.0 5.09 988 834 A 11 MET HE% A 7 LYS HGx 1.0 0.0 4.50 989 834 A 11 MET HE% A 7 LYS HGy 1.0 0.0 4.50 990 835 A 29 VAL HG2% A 7 LYS HGx 1.0 0.0 4.82 991 835 A 29 VAL HG2% A 7 LYS HGy 1.0 0.0 4.82 992 836 A 7 LYS HDy A 11 MET HGy 1.0 0.0 5.71 993 836 A 7 LYS HDx A 11 MET HGy 1.0 0.0 5.71 994 836 A 11 MET HGx A 7 LYS HDx 1.0 0.0 5.71 995 836 A 7 LYS HDy A 11 MET HGx 1.0 0.0 5.71 996 837 A 8 CYS HA A 12 LYS HGx 1.0 0.0 5.17 997 837 A 8 CYS HA A 12 LYS HGy 1.0 0.0 5.17 998 838 A 8 CYS HBx A 22 CYS HBy 1.0 0.0 4.30 999 838 A 8 CYS HBy A 22 CYS HBy 1.0 0.0 4.30 1000 838 A 22 CYS HBx A 8 CYS HBx 1.0 0.0 4.30 1001 838 A 8 CYS HBy A 22 CYS HBx 1.0 0.0 4.30 1002 839 A 9 THR H A 12 LYS HGx 1.0 0.0 5.71 1003 839 A 9 THR H A 12 LYS HGy 1.0 0.0 5.71 1004 840 A 9 THR HA A 12 LYS HBy 1.0 0.0 4.13 1005 840 A 9 THR HA A 12 LYS HBx 1.0 0.0 4.13 1006 841 A 9 THR HA A 12 LYS HGx 1.0 0.0 4.29 1007 841 A 9 THR HA A 12 LYS HGy 1.0 0.0 4.29 1008 842 A 9 THR HA A 12 LYS HEx 1.0 0.0 5.69 1009 842 A 9 THR HA A 12 LYS HEy 1.0 0.0 5.69 1010 843 A 9 THR HG2% A 12 LYS HBy 1.0 0.0 5.41 1011 843 A 9 THR HG2% A 12 LYS HBx 1.0 0.0 5.41 1012 844 A 9 THR HG2% A 13 LYS HGx 1.0 0.0 4.84 1013 844 A 9 THR HG2% A 13 LYS HGy 1.0 0.0 4.84 1014 845 A 9 THR HG2% A 13 LYS HDx 1.0 0.0 4.68 1015 845 A 9 THR HG2% A 13 LYS HDy 1.0 0.0 4.68 1016 846 A 10 GLU H A 10 GLU HBx 1.0 0.0 3.64 1017 846 A 10 GLU H A 10 GLU HBy 1.0 0.0 3.64 1018 847 A 10 GLU H A 10 GLU HGy 1.0 0.0 4.49 1019 847 A 10 GLU H A 10 GLU HGx 1.0 0.0 4.49 1020 848 A 10 GLU H A 11 MET HGy 1.0 0.0 5.71 1021 848 A 10 GLU H A 11 MET HGx 1.0 0.0 5.71 1022 849 A 10 GLU H A 12 LYS HBy 1.0 0.0 5.71 1023 849 A 10 GLU H A 12 LYS HBx 1.0 0.0 5.71 1024 850 A 10 GLU H A 13 LYS HDx 1.0 0.0 5.71 1025 850 A 10 GLU H A 13 LYS HDy 1.0 0.0 5.71 1026 851 A 10 GLU HA A 13 LYS HGx 1.0 0.0 5.15 1027 851 A 10 GLU HA A 13 LYS HGy 1.0 0.0 5.15 1028 852 A 10 GLU HA A 13 LYS HDx 1.0 0.0 4.96 1029 852 A 10 GLU HA A 13 LYS HDy 1.0 0.0 4.96 1030 853 A 11 MET H A 10 GLU HBx 1.0 0.0 4.10 1031 853 A 11 MET H A 10 GLU HBy 1.0 0.0 4.10 1032 854 A 10 GLU HBx A 11 MET HGy 1.0 0.0 5.54 1033 854 A 11 MET HGx A 10 GLU HBx 1.0 0.0 5.54 1034 854 A 10 GLU HBy A 11 MET HGx 1.0 0.0 5.54 1035 854 A 10 GLU HBy A 11 MET HGy 1.0 0.0 5.54 1036 855 A 10 GLU HBx A 13 LYS HDx 1.0 0.0 5.54 1037 855 A 10 GLU HBy A 13 LYS HDx 1.0 0.0 5.54 1038 855 A 13 LYS HDy A 10 GLU HBx 1.0 0.0 5.54 1039 855 A 10 GLU HBy A 13 LYS HDy 1.0 0.0 5.54 1040 856 A 10 GLU HBy A 13 LYS HEx 1.0 0.0 5.71 1041 856 A 10 GLU HBx A 13 LYS HEx 1.0 0.0 5.71 1042 856 A 13 LYS HEy A 10 GLU HBx 1.0 0.0 5.71 1043 856 A 13 LYS HEy A 10 GLU HBy 1.0 0.0 5.71 1044 857 A 11 MET HE% A 10 GLU HGy 1.0 0.0 4.13 1045 857 A 11 MET HE% A 10 GLU HGx 1.0 0.0 4.13 1046 858 A 10 GLU HGy A 13 LYS HGx 1.0 0.0 5.54 1047 858 A 10 GLU HGx A 13 LYS HGx 1.0 0.0 5.54 1048 858 A 13 LYS HGy A 10 GLU HGy 1.0 0.0 5.54 1049 858 A 10 GLU HGx A 13 LYS HGy 1.0 0.0 5.54 1050 859 A 10 GLU HGx A 13 LYS HDx 1.0 0.0 5.54 1051 859 A 10 GLU HGy A 13 LYS HDx 1.0 0.0 5.54 1052 859 A 13 LYS HDy A 10 GLU HGy 1.0 0.0 5.54 1053 859 A 10 GLU HGx A 13 LYS HDy 1.0 0.0 5.54 1054 860 A 10 GLU HGx A 14 LYS HBy 1.0 0.0 5.09 1055 860 A 10 GLU HGy A 14 LYS HBy 1.0 0.0 5.09 1056 860 A 14 LYS HBx A 10 GLU HGy 1.0 0.0 5.09 1057 860 A 10 GLU HGx A 14 LYS HBx 1.0 0.0 5.09 1058 861 A 10 GLU HGx A 14 LYS HDx 1.0 0.0 5.54 1059 861 A 10 GLU HGy A 14 LYS HDx 1.0 0.0 5.54 1060 861 A 14 LYS HDy A 10 GLU HGy 1.0 0.0 5.54 1061 861 A 10 GLU HGx A 14 LYS HDy 1.0 0.0 5.54 1062 862 A 11 MET H A 11 MET HGy 1.0 0.0 3.86 1063 862 A 11 MET H A 11 MET HGx 1.0 0.0 3.86 1064 863 A 11 MET H A 12 LYS HGx 1.0 0.0 5.71 1065 863 A 11 MET H A 12 LYS HGy 1.0 0.0 5.71 1066 864 A 11 MET H A 14 LYS HBy 1.0 0.0 5.71 1067 864 A 11 MET H A 14 LYS HBx 1.0 0.0 5.71 1068 865 A 11 MET HA A 14 LYS HBy 1.0 0.0 4.27 1069 865 A 11 MET HA A 14 LYS HBx 1.0 0.0 4.27 1070 866 A 12 LYS H A 11 MET HGy 1.0 0.0 5.11 1071 866 A 12 LYS H A 11 MET HGx 1.0 0.0 5.11 1072 867 A 29 VAL HB A 11 MET HGy 1.0 0.0 5.71 1073 867 A 29 VAL HB A 11 MET HGx 1.0 0.0 5.71 1074 868 A 29 VAL HG1% A 11 MET HGy 1.0 0.0 4.47 1075 868 A 29 VAL HG1% A 11 MET HGx 1.0 0.0 4.47 1076 869 A 29 VAL HG2% A 11 MET HGy 1.0 0.0 4.73 1077 869 A 29 VAL HG2% A 11 MET HGx 1.0 0.0 4.73 1078 870 A 31 VAL HG2% A 11 MET HGy 1.0 0.0 5.04 1079 870 A 31 VAL HG2% A 11 MET HGx 1.0 0.0 5.04 1080 871 A 11 MET HGy A 40 LEU HBx 1.0 0.0 5.54 1081 871 A 40 LEU HBy A 11 MET HGy 1.0 0.0 5.54 1082 871 A 11 MET HGx A 40 LEU HBy 1.0 0.0 5.54 1083 871 A 11 MET HGx A 40 LEU HBx 1.0 0.0 5.54 1084 872 A 40 LEU HD1% A 11 MET HGy 1.0 0.0 5.62 1085 872 A 40 LEU HD1% A 11 MET HGx 1.0 0.0 5.62 1086 873 A 11 MET HE% A 40 LEU HBx 1.0 0.0 4.98 1087 873 A 11 MET HE% A 40 LEU HBy 1.0 0.0 4.98 1088 874 A 12 LYS H A 12 LYS HGx 1.0 0.0 3.65 1089 874 A 12 LYS H A 12 LYS HGy 1.0 0.0 3.65 1090 875 A 12 LYS HA A 12 LYS HGx 1.0 0.0 3.98 1091 875 A 12 LYS HA A 12 LYS HGy 1.0 0.0 3.98 1092 876 A 12 LYS HBy A 12 LYS HDx 1.0 0.0 3.70 1093 876 A 12 LYS HBx A 12 LYS HDx 1.0 0.0 3.70 1094 876 A 12 LYS HDy A 12 LYS HBy 1.0 0.0 3.70 1095 876 A 12 LYS HDy A 12 LYS HBx 1.0 0.0 3.70 1096 877 A 12 LYS HBy A 12 LYS HEx 1.0 0.0 4.69 1097 877 A 12 LYS HBx A 12 LYS HEx 1.0 0.0 4.69 1098 877 A 12 LYS HEy A 12 LYS HBy 1.0 0.0 4.69 1099 877 A 12 LYS HBx A 12 LYS HEy 1.0 0.0 4.69 1100 878 A 14 LYS H A 12 LYS HBy 1.0 0.0 5.71 1101 878 A 14 LYS H A 12 LYS HBx 1.0 0.0 5.71 1102 879 A 13 LYS H A 12 LYS HGx 1.0 0.0 5.26 1103 879 A 13 LYS H A 12 LYS HGy 1.0 0.0 5.26 1104 880 A 15 PHE HB2 A 12 LYS HGx 1.0 0.0 5.71 1105 880 A 15 PHE HB2 A 12 LYS HGy 1.0 0.0 5.71 1106 881 A 20 VAL H A 12 LYS HGx 1.0 0.0 5.57 1107 881 A 20 VAL H A 12 LYS HGy 1.0 0.0 5.57 1108 882 A 20 VAL HB A 12 LYS HGx 1.0 0.0 4.46 1109 882 A 20 VAL HB A 12 LYS HGy 1.0 0.0 4.46 1110 883 A 20 VAL HG1% A 12 LYS HGx 1.0 0.0 4.21 1111 883 A 20 VAL HG1% A 12 LYS HGy 1.0 0.0 4.21 1112 884 A 20 VAL HG2% A 12 LYS HGx 1.0 0.0 4.50 1113 884 A 20 VAL HG2% A 12 LYS HGy 1.0 0.0 4.50 1114 885 A 29 VAL HG1% A 12 LYS HGx 1.0 0.0 5.71 1115 885 A 29 VAL HG1% A 12 LYS HGy 1.0 0.0 5.71 1116 886 A 20 VAL HB A 12 LYS HEx 1.0 0.0 5.54 1117 886 A 20 VAL HB A 12 LYS HEy 1.0 0.0 5.54 1118 887 A 20 VAL HG1% A 12 LYS HEx 1.0 0.0 5.09 1119 887 A 20 VAL HG1% A 12 LYS HEy 1.0 0.0 5.09 1120 888 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.00 1121 888 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.00 1122 889 A 13 LYS H A 14 LYS HBy 1.0 0.0 5.59 1123 889 A 13 LYS H A 14 LYS HBx 1.0 0.0 5.59 1124 890 A 13 LYS HA A 13 LYS HGx 1.0 0.0 3.99 1125 890 A 13 LYS HA A 13 LYS HGy 1.0 0.0 3.99 1126 891 A 13 LYS HA A 13 LYS HDx 1.0 0.0 5.06 1127 891 A 13 LYS HA A 13 LYS HDy 1.0 0.0 5.06 1128 892 A 13 LYS HA A 16 LYS HGx 1.0 0.0 5.71 1129 892 A 13 LYS HA A 16 LYS HGy 1.0 0.0 5.71 1130 893 A 14 LYS H A 14 LYS HBy 1.0 0.0 3.52 1131 893 A 14 LYS H A 14 LYS HBx 1.0 0.0 3.52 1132 894 A 14 LYS H A 14 LYS HDx 1.0 0.0 5.71 1133 894 A 14 LYS H A 14 LYS HDy 1.0 0.0 5.71 1134 895 A 14 LYS HA A 14 LYS HDx 1.0 0.0 4.70 1135 895 A 14 LYS HA A 14 LYS HDy 1.0 0.0 4.70 1136 896 A 14 LYS HBy A 14 LYS HDx 1.0 0.0 3.41 1137 896 A 14 LYS HDy A 14 LYS HBy 1.0 0.0 3.41 1138 896 A 14 LYS HBx A 14 LYS HDy 1.0 0.0 3.41 1139 896 A 14 LYS HBx A 14 LYS HDx 1.0 0.0 3.41 1140 897 A 14 LYS HBx A 14 LYS HEx 1.0 0.0 4.85 1141 897 A 14 LYS HBy A 14 LYS HEx 1.0 0.0 4.85 1142 897 A 14 LYS HEy A 14 LYS HBy 1.0 0.0 4.85 1143 897 A 14 LYS HBx A 14 LYS HEy 1.0 0.0 4.85 1144 898 A 15 PHE H A 14 LYS HBy 1.0 0.0 3.93 1145 898 A 15 PHE H A 14 LYS HBx 1.0 0.0 3.93 1146 899 A 15 PHE HB2 A 14 LYS HBy 1.0 0.0 5.71 1147 899 A 15 PHE HB2 A 14 LYS HBx 1.0 0.0 5.71 1148 900 A 15 PHE HD% A 14 LYS HBy 1.0 0.0 4.15 1149 900 A 15 PHE HD% A 14 LYS HBx 1.0 0.0 4.15 1150 901 A 15 PHE HE% A 14 LYS HBy 1.0 0.0 5.11 1151 901 A 15 PHE HE% A 14 LYS HBx 1.0 0.0 5.11 1152 902 A 15 PHE H A 14 LYS HGx 1.0 0.0 5.06 1153 902 A 15 PHE H A 14 LYS HGy 1.0 0.0 5.06 1154 903 A 15 PHE HE% A 14 LYS HDx 1.0 0.0 4.71 1155 903 A 15 PHE HE% A 14 LYS HDy 1.0 0.0 4.71 1156 904 A 15 PHE HZ A 14 LYS HDx 1.0 0.0 5.18 1157 904 A 15 PHE HZ A 14 LYS HDy 1.0 0.0 5.18 1158 905 A 15 PHE HZ A 14 LYS HEx 1.0 0.0 5.71 1159 905 A 15 PHE HZ A 14 LYS HEy 1.0 0.0 5.71 1160 906 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.18 1161 906 A 16 LYS H A 16 LYS HGy 1.0 0.0 4.18 1162 907 A 17 ASN H A 16 LYS HGx 1.0 0.0 4.52 1163 907 A 17 ASN H A 16 LYS HGy 1.0 0.0 4.52 1164 908 A 17 ASN HD2x A 16 LYS HGx 1.0 0.0 5.07 1165 908 A 17 ASN HD2y A 16 LYS HGy 1.0 0.0 5.07 1166 908 A 17 ASN HD2y A 16 LYS HGx 1.0 0.0 5.07 1167 908 A 17 ASN HD2x A 16 LYS HGy 1.0 0.0 5.07 1168 909 A 18 CYS H A 16 LYS HGx 1.0 0.0 5.71 1169 909 A 18 CYS H A 16 LYS HGy 1.0 0.0 5.71 1170 910 A 17 ASN HD2x A 16 LYS HDy 1.0 0.0 5.71 1171 910 A 17 ASN HD2y A 16 LYS HDy 1.0 0.0 5.71 1172 910 A 17 ASN HD2y A 16 LYS HDx 1.0 0.0 5.71 1173 910 A 17 ASN HD2x A 16 LYS HDx 1.0 0.0 5.71 1174 911 A 16 LYS HEy A 17 ASN HD2x 1.0 0.0 5.47 1175 911 A 17 ASN HD2x A 16 LYS HEx 1.0 0.0 5.47 1176 911 A 17 ASN HD2y A 16 LYS HEx 1.0 0.0 5.47 1177 911 A 16 LYS HEy A 17 ASN HD2y 1.0 0.0 5.47 1178 912 A 17 ASN H A 17 ASN HBx 1.0 0.0 3.78 1179 912 A 17 ASN H A 17 ASN HBy 1.0 0.0 3.78 1180 913 A 17 ASN HD2y A 17 ASN HBy 1.0 0.0 3.40 1181 913 A 17 ASN HD2x A 17 ASN HBy 1.0 0.0 3.40 1182 913 A 17 ASN HD2x A 17 ASN HBx 1.0 0.0 3.40 1183 913 A 17 ASN HD2y A 17 ASN HBx 1.0 0.0 3.40 1184 914 A 19 GLU H A 19 GLU HGy 1.0 0.0 4.76 1185 914 A 19 GLU H A 19 GLU HGx 1.0 0.0 4.76 1186 915 A 19 GLU H A 32 ARG HBx 1.0 0.0 4.74 1187 915 A 19 GLU H A 32 ARG HBy 1.0 0.0 4.74 1188 916 A 19 GLU H A 32 ARG HGx 1.0 0.0 5.71 1189 916 A 19 GLU H A 32 ARG HGy 1.0 0.0 5.71 1190 917 A 19 GLU HB2 A 32 ARG HBx 1.0 0.0 5.24 1191 917 A 19 GLU HB2 A 32 ARG HBy 1.0 0.0 5.24 1192 918 A 19 GLU HB2 A 32 ARG HDy 1.0 0.0 5.71 1193 918 A 19 GLU HB2 A 32 ARG HDx 1.0 0.0 5.71 1194 919 A 19 GLU HB3 A 21 ARG HGx 1.0 0.0 5.71 1195 919 A 19 GLU HB3 A 21 ARG HGy 1.0 0.0 5.71 1196 920 A 19 GLU HB3 A 32 ARG HBx 1.0 0.0 5.14 1197 920 A 19 GLU HB3 A 32 ARG HBy 1.0 0.0 5.14 1198 921 A 19 GLU HB3 A 32 ARG HDy 1.0 0.0 5.71 1199 921 A 19 GLU HB3 A 32 ARG HDx 1.0 0.0 5.71 1200 922 A 20 VAL H A 19 GLU HGy 1.0 0.0 4.76 1201 922 A 20 VAL H A 19 GLU HGx 1.0 0.0 4.76 1202 923 A 19 GLU HGx A 21 ARG HGx 1.0 0.0 5.54 1203 923 A 19 GLU HGy A 21 ARG HGx 1.0 0.0 5.54 1204 923 A 21 ARG HGy A 19 GLU HGy 1.0 0.0 5.54 1205 923 A 19 GLU HGx A 21 ARG HGy 1.0 0.0 5.54 1206 924 A 21 ARG HE A 19 GLU HGy 1.0 0.0 5.71 1207 924 A 21 ARG HE A 19 GLU HGx 1.0 0.0 5.71 1208 925 A 32 ARG H A 19 GLU HGy 1.0 0.0 5.71 1209 925 A 32 ARG H A 19 GLU HGx 1.0 0.0 5.71 1210 926 A 20 VAL HA A 21 ARG HBx 1.0 0.0 5.71 1211 926 A 20 VAL HA A 21 ARG HBy 1.0 0.0 5.71 1212 927 A 20 VAL HG1% A 22 CYS HBy 1.0 0.0 5.71 1213 927 A 20 VAL HG1% A 22 CYS HBx 1.0 0.0 5.71 1214 928 A 21 ARG H A 21 ARG HGx 1.0 0.0 4.72 1215 928 A 21 ARG H A 21 ARG HGy 1.0 0.0 4.72 1216 929 A 21 ARG H A 30 GLU HBx 1.0 0.0 5.57 1217 929 A 21 ARG H A 30 GLU HBy 1.0 0.0 5.57 1218 930 A 21 ARG H A 30 GLU HGy 1.0 0.0 5.17 1219 930 A 21 ARG H A 30 GLU HGx 1.0 0.0 5.17 1220 931 A 22 CYS H A 21 ARG HBx 1.0 0.0 4.61 1221 931 A 22 CYS H A 21 ARG HBy 1.0 0.0 4.61 1222 932 A 30 GLU H A 21 ARG HBx 1.0 0.0 5.05 1223 932 A 30 GLU H A 21 ARG HBy 1.0 0.0 5.05 1224 933 A 22 CYS H A 21 ARG HGx 1.0 0.0 5.05 1225 933 A 22 CYS H A 21 ARG HGy 1.0 0.0 5.05 1226 934 A 21 ARG HDy A 30 GLU HGy 1.0 0.0 5.55 1227 934 A 21 ARG HDx A 30 GLU HGy 1.0 0.0 5.55 1228 934 A 30 GLU HGx A 21 ARG HDx 1.0 0.0 5.55 1229 934 A 21 ARG HDy A 30 GLU HGx 1.0 0.0 5.55 1230 935 A 22 CYS H A 22 CYS HBy 1.0 0.0 3.89 1231 935 A 22 CYS H A 22 CYS HBx 1.0 0.0 3.89 1232 936 A 23 ASP H A 22 CYS HBy 1.0 0.0 4.57 1233 936 A 23 ASP H A 22 CYS HBx 1.0 0.0 4.57 1234 937 A 29 VAL HG2% A 22 CYS HBy 1.0 0.0 5.16 1235 937 A 29 VAL HG2% A 22 CYS HBx 1.0 0.0 5.16 1236 938 A 23 ASP H A 23 ASP HBx 1.0 0.0 3.80 1237 938 A 23 ASP H A 23 ASP HBy 1.0 0.0 3.80 1238 939 A 23 ASP H A 24 GLU HBx 1.0 0.0 5.71 1239 939 A 23 ASP H A 24 GLU HBy 1.0 0.0 5.71 1240 940 A 23 ASP HA A 24 GLU HBx 1.0 0.0 5.71 1241 940 A 23 ASP HA A 24 GLU HBy 1.0 0.0 5.71 1242 941 A 24 GLU H A 23 ASP HBx 1.0 0.0 4.48 1243 941 A 24 GLU H A 23 ASP HBy 1.0 0.0 4.48 1244 942 A 25 SER H A 23 ASP HBx 1.0 0.0 5.11 1245 942 A 25 SER H A 23 ASP HBy 1.0 0.0 5.11 1246 943 A 28 CYS H A 23 ASP HBx 1.0 0.0 4.67 1247 943 A 28 CYS H A 23 ASP HBy 1.0 0.0 4.67 1248 944 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.79 1249 944 A 24 GLU H A 24 GLU HBy 1.0 0.0 3.79 1250 945 A 25 SER H A 26 ASN HBx 1.0 0.0 5.71 1251 945 A 25 SER H A 26 ASN HBy 1.0 0.0 5.71 1252 946 A 26 ASN H A 26 ASN HD2x 1.0 0.0 5.71 1253 946 A 26 ASN H A 26 ASN HD2y 1.0 0.0 5.71 1254 947 A 28 CYS H A 26 ASN HBx 1.0 0.0 5.56 1255 947 A 28 CYS H A 26 ASN HBy 1.0 0.0 5.56 1256 948 A 26 ASN HD2x A 28 CYS HBy 1.0 0.0 5.03 1257 948 A 26 ASN HD2y A 28 CYS HBx 1.0 0.0 5.03 1258 948 A 26 ASN HD2x A 28 CYS HBx 1.0 0.0 5.03 1259 948 A 26 ASN HD2y A 28 CYS HBy 1.0 0.0 5.03 1260 949 A 28 CYS H A 28 CYS HBy 1.0 0.0 3.84 1261 949 A 28 CYS H A 28 CYS HBx 1.0 0.0 3.84 1262 950 A 28 CYS HA A 41 CYS HBx 1.0 0.0 5.06 1263 950 A 28 CYS HA A 41 CYS HBy 1.0 0.0 5.06 1264 951 A 29 VAL H A 28 CYS HBy 1.0 0.0 4.28 1265 951 A 29 VAL H A 28 CYS HBx 1.0 0.0 4.28 1266 952 A 39 THR HG2% A 28 CYS HBy 1.0 0.0 4.03 1267 952 A 39 THR HG2% A 28 CYS HBx 1.0 0.0 4.03 1268 953 A 40 LEU H A 28 CYS HBy 1.0 0.0 5.67 1269 953 A 40 LEU H A 28 CYS HBx 1.0 0.0 5.67 1270 954 A 41 CYS HA A 28 CYS HBy 1.0 0.0 5.10 1271 954 A 41 CYS HA A 28 CYS HBx 1.0 0.0 5.10 1272 955 A 29 VAL HA A 30 GLU HBx 1.0 0.0 5.71 1273 955 A 29 VAL HA A 30 GLU HBy 1.0 0.0 5.71 1274 956 A 29 VAL HB A 40 LEU HBx 1.0 0.0 4.60 1275 956 A 29 VAL HB A 40 LEU HBy 1.0 0.0 4.60 1276 957 A 29 VAL HG1% A 40 LEU HBx 1.0 0.0 5.71 1277 957 A 29 VAL HG1% A 40 LEU HBy 1.0 0.0 5.71 1278 958 A 30 GLU H A 30 GLU HGy 1.0 0.0 5.05 1279 958 A 30 GLU H A 30 GLU HGx 1.0 0.0 5.05 1280 959 A 30 GLU HA A 40 LEU HBx 1.0 0.0 5.71 1281 959 A 30 GLU HA A 40 LEU HBy 1.0 0.0 5.71 1282 960 A 39 THR HG2% A 30 GLU HBx 1.0 0.0 5.71 1283 960 A 39 THR HG2% A 30 GLU HBy 1.0 0.0 5.71 1284 961 A 31 VAL H A 30 GLU HGy 1.0 0.0 4.79 1285 961 A 31 VAL H A 30 GLU HGx 1.0 0.0 4.79 1286 962 A 32 ARG H A 30 GLU HGy 1.0 0.0 4.88 1287 962 A 32 ARG H A 30 GLU HGx 1.0 0.0 4.88 1288 963 A 30 GLU HGx A 32 ARG HBx 1.0 0.0 4.57 1289 963 A 30 GLU HGy A 32 ARG HBx 1.0 0.0 4.57 1290 963 A 32 ARG HBy A 30 GLU HGy 1.0 0.0 4.57 1291 963 A 32 ARG HBy A 30 GLU HGx 1.0 0.0 4.57 1292 964 A 30 GLU HGx A 32 ARG HGx 1.0 0.0 4.80 1293 964 A 30 GLU HGy A 32 ARG HGx 1.0 0.0 4.80 1294 964 A 32 ARG HGy A 30 GLU HGy 1.0 0.0 4.80 1295 964 A 32 ARG HGy A 30 GLU HGx 1.0 0.0 4.80 1296 965 A 32 ARG HE A 30 GLU HGy 1.0 0.0 5.68 1297 965 A 32 ARG HE A 30 GLU HGx 1.0 0.0 5.68 1298 966 A 31 VAL H A 37 LYS HGx 1.0 0.0 5.71 1299 966 A 31 VAL H A 37 LYS HGy 1.0 0.0 5.71 1300 967 A 32 ARG H A 32 ARG HGx 1.0 0.0 5.08 1301 967 A 32 ARG H A 32 ARG HGy 1.0 0.0 5.08 1302 968 A 32 ARG H A 32 ARG HDy 1.0 0.0 5.71 1303 968 A 32 ARG H A 32 ARG HDx 1.0 0.0 5.71 1304 969 A 32 ARG HE A 32 ARG HBx 1.0 0.0 4.90 1305 969 A 32 ARG HE A 32 ARG HBy 1.0 0.0 4.90 1306 970 A 33 CYS H A 32 ARG HGx 1.0 0.0 4.99 1307 970 A 33 CYS H A 32 ARG HGy 1.0 0.0 4.99 1308 971 A 34 SER H A 32 ARG HGx 1.0 0.0 5.71 1309 971 A 34 SER H A 32 ARG HGy 1.0 0.0 5.71 1310 972 A 36 THR H A 32 ARG HGx 1.0 0.0 5.71 1311 972 A 36 THR H A 32 ARG HGy 1.0 0.0 5.71 1312 973 A 32 ARG HDy A 37 LYS HBy 1.0 0.0 5.54 1313 973 A 32 ARG HDx A 37 LYS HBy 1.0 0.0 5.54 1314 973 A 37 LYS HBx A 32 ARG HDy 1.0 0.0 5.54 1315 973 A 32 ARG HDx A 37 LYS HBx 1.0 0.0 5.54 1316 974 A 32 ARG HDy A 37 LYS HDx 1.0 0.0 5.71 1317 974 A 32 ARG HDx A 37 LYS HDx 1.0 0.0 5.71 1318 974 A 37 LYS HDy A 32 ARG HDy 1.0 0.0 5.71 1319 974 A 37 LYS HDy A 32 ARG HDx 1.0 0.0 5.71 1320 975 A 33 CYS H A 37 LYS HBy 1.0 0.0 5.71 1321 975 A 33 CYS H A 37 LYS HBx 1.0 0.0 5.71 1322 976 A 33 CYS HB2 A 34 SER HBx 1.0 0.0 5.71 1323 976 A 33 CYS HB2 A 34 SER HBy 1.0 0.0 5.71 1324 977 A 33 CYS HB3 A 34 SER HBx 1.0 0.0 5.71 1325 977 A 33 CYS HB3 A 34 SER HBy 1.0 0.0 5.71 1326 978 A 34 SER H A 34 SER HBx 1.0 0.0 3.94 1327 978 A 34 SER H A 34 SER HBy 1.0 0.0 3.94 1328 979 A 35 ASP H A 34 SER HBx 1.0 0.0 4.27 1329 979 A 35 ASP H A 34 SER HBy 1.0 0.0 4.27 1330 980 A 36 THR H A 34 SER HBx 1.0 0.0 5.71 1331 980 A 36 THR H A 34 SER HBy 1.0 0.0 5.71 1332 981 A 35 ASP H A 35 ASP HBx 1.0 0.0 3.93 1333 981 A 35 ASP H A 35 ASP HBy 1.0 0.0 3.93 1334 982 A 36 THR H A 37 LYS HBy 1.0 0.0 5.71 1335 982 A 36 THR H A 37 LYS HBx 1.0 0.0 5.71 1336 983 A 36 THR HA A 37 LYS HBy 1.0 0.0 5.16 1337 983 A 36 THR HA A 37 LYS HBx 1.0 0.0 5.16 1338 984 A 37 LYS H A 37 LYS HGx 1.0 0.0 5.10 1339 984 A 37 LYS H A 37 LYS HGy 1.0 0.0 5.10 1340 985 A 38 TYR H A 37 LYS HBy 1.0 0.0 4.54 1341 985 A 38 TYR H A 37 LYS HBx 1.0 0.0 4.54 1342 986 A 38 TYR H A 37 LYS HGx 1.0 0.0 4.87 1343 986 A 38 TYR H A 37 LYS HGy 1.0 0.0 4.87 1344 987 A 38 TYR HD% A 40 LEU HBx 1.0 0.0 4.63 1345 987 A 38 TYR HD% A 40 LEU HBy 1.0 0.0 4.63 1346 988 A 38 TYR HE% A 40 LEU HBx 1.0 0.0 4.92 1347 988 A 38 TYR HE% A 40 LEU HBy 1.0 0.0 4.92 1348 989 A 39 THR HG2% A 40 LEU HBx 1.0 0.0 5.45 1349 989 A 39 THR HG2% A 40 LEU HBy 1.0 0.0 5.45 1350 990 A 40 LEU H A 40 LEU HBx 1.0 0.0 3.95 1351 990 A 40 LEU H A 40 LEU HBy 1.0 0.0 3.95 1352 991 A 40 LEU H A 41 CYS HBx 1.0 0.0 5.71 1353 991 A 40 LEU H A 41 CYS HBy 1.0 0.0 5.71 1354 992 A 8 CYS SG A 22 CYS SG 1.0 0.0 2.25 1355 993 A 8 CYS SG A 22 CYS CB 1.0 0.0 3.32 1356 994 A 22 CYS SG A 8 CYS CB 1.0 0.0 3.32 1357 995 A 18 CYS SG A 33 CYS SG 1.0 0.0 2.25 1358 996 A 18 CYS SG A 33 CYS CB 1.0 0.0 3.32 1359 997 A 33 CYS SG A 18 CYS CB 1.0 0.0 3.32 1360 998 A 28 CYS SG A 41 CYS SG 1.0 0.0 2.25 1361 999 A 28 CYS SG A 41 CYS CB 1.0 0.0 3.32 1362 1000 A 41 CYS SG A 28 CYS CB 1.0 0.0 3.32 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 GLU C A 4 THR N A 4 THR CA A 4 THR C 1.0 -79.3 -53.1 PHI 2 2 A 4 THR N A 4 THR CA A 4 THR C A 5 ARG N 1.0 -51.8 -27.8 PSI 3 3 A 4 THR C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -76.5 -56.5 PHI 4 4 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 LYS N 1.0 -48.6 -28.6 PSI 5 5 A 5 ARG C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -76.9 -56.9 PHI 6 6 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 LYS N 1.0 -47.6 -26.6 PSI 7 7 A 6 LYS C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -75.7 -55.7 PHI 8 8 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 CYS N 1.0 -49.0 -29.0 PSI 9 9 A 7 LYS C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -74.1 -54.1 PHI 10 10 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 THR N 1.0 -51.0 -31.0 PSI 11 11 A 8 CYS C A 9 THR N A 9 THR CA A 9 THR C 1.0 -73.3 -53.3 PHI 12 12 A 9 THR N A 9 THR CA A 9 THR C A 10 GLU N 1.0 -51.9 -31.9 PSI 13 13 A 9 THR C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -75.4 -55.4 PHI 14 14 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 MET N 1.0 -51.2 -31.2 PSI 15 15 A 10 GLU C A 11 MET N A 11 MET CA A 11 MET C 1.0 -78.9 -58.9 PHI 16 16 A 11 MET N A 11 MET CA A 11 MET C A 12 LYS N 1.0 -46.3 -26.3 PSI 17 17 A 11 MET C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -73.0 -53.0 PHI 18 18 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LYS N 1.0 -52.2 -32.2 PSI 19 19 A 12 LYS C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -80.1 -57.7 PHI 20 20 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LYS N 1.0 -48.4 -22.0 PSI 21 21 A 19 GLU C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -130.0 -86.0 PHI 22 22 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 ARG N 1.0 109.9 143.3 PSI 23 23 A 20 VAL C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -130.8 -90.8 PHI 24 24 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 CYS N 1.0 105.4 139.0 PSI 25 25 A 21 ARG C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -139.0 -59.8 PHI 26 26 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 ASP N 1.0 95.0 167.4 PSI 27 27 A 28 CYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -145.1 -93.9 PHI 28 28 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 GLU N 1.0 115.5 145.3 PSI 29 29 A 29 VAL C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -124.4 -88.6 PHI 30 30 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 VAL N 1.0 112.6 140.4 PSI 31 31 A 30 GLU C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -124.5 -102.9 PHI 32 32 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 ARG N 1.0 111.3 137.5 PSI 33 33 A 37 LYS C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -135.9 -104.3 PHI 34 34 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 THR N 1.0 116.6 155.0 PSI 35 35 A 38 TYR C A 39 THR N A 39 THR CA A 39 THR C 1.0 -129.2 -91.4 PHI 36 36 A 39 THR N A 39 THR CA A 39 THR C A 40 LEU N 1.0 107.3 142.5 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 11 . . . . 3 ppm . . 44 . folded . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 11 . . . . 3 ppm . . 44 . folded . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 11 . . . . 3 ppm . . 27.6 . folded . . stop_ save_