data_nef_c34293_6gw8 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 6GW8 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 5 CYS SG 2 3 ZN ZN 1 7 CYS SG 2 1 ZN ZN 1 10 CYS SG 2 2 ZN ZN 1 12 CYS SG 2 3 ZN ZN 1 28 CYS SG 2 3 ZN ZN 1 32 CYS SG 2 1 ZN ZN 1 32 CYS SG 2 3 ZN ZN 1 36 HIS NE2 2 1 ZN ZN 1 42 CYS SG 2 2 ZN ZN 1 47 CYS SG 2 2 ZN ZN 1 49 CYS SG 2 2 ZN ZN 1 49 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASN start . . 2 A 2 GLU middle . . 3 A 3 LEU middle . . 4 A 4 ARG middle . . 5 A 5 CYS middle -HG . 6 A 6 GLY middle . false 7 A 7 CYS middle -HG . 8 A 8 PRO middle . false 9 A 9 ASP middle . . 10 A 10 CYS middle -HG . 11 A 11 HIS middle . . 12 A 12 CYS middle -HG . 13 A 13 LYS middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 PRO middle . false 17 A 17 GLU middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 PHE middle . . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 ASP middle . . 24 A 24 GLY middle . false 25 A 25 GLU middle . . 26 A 26 ALA middle . . 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 SER middle . . 30 A 30 GLN middle . . 31 A 31 ALA middle . . 32 A 32 CYS middle -HG . 33 A 33 ALA middle . . 34 A 34 GLU middle . . 35 A 35 GLN middle . . 36 A 36 HIS middle -HE2 . 37 A 37 PRO middle . false 38 A 38 ASN middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 PRO middle . false 42 A 42 CYS middle -HG . 43 A 43 PRO middle . false 44 A 44 ALA middle . . 45 A 45 PRO middle . false 46 A 46 ASP middle . . 47 A 47 CYS middle -HG . 48 A 48 HIS middle . . 49 A 49 CYS middle -HG . 50 A 50 GLU middle . . 51 A 51 ARG middle . . 52 A 52 SER end . . 53 B 1 ZN . . . 54 B 2 ZN . . . 55 B 3 ZN . . . 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 ASN HA H 1 3.796 0.020 A 1 ASN HBx H 1 2.547 0.020 A 1 ASN HBy H 1 2.666 0.020 A 1 ASN HD21 H 1 7.577 0.020 A 1 ASN HD22 H 1 6.855 0.020 A 1 ASN CA C 13 54.307 0.3 A 1 ASN CB C 13 41.981 0.3 A 1 ASN ND2 N 15 113.260 0.3 A 2 GLU HA H 1 4.272 0.020 A 2 GLU HBx H 1 1.897 0.020 A 2 GLU HBy H 1 1.999 0.020 A 2 GLU HG2 H 1 2.227 0.020 A 2 GLU HG3 H 1 2.227 0.020 A 2 GLU C C 13 175.902 0.3 A 2 GLU CA C 13 56.306 0.3 A 2 GLU CB C 13 30.510 0.3 A 2 GLU CG C 13 36.231 0.3 A 3 LEU H H 1 8.424 0.020 A 3 LEU HA H 1 4.361 0.020 A 3 LEU HBx H 1 1.426 0.020 A 3 LEU HBy H 1 1.542 0.020 A 3 LEU HDx% H 1 0.762 0.020 A 3 LEU HDy% H 1 0.807 0.020 A 3 LEU HG H 1 1.485 0.020 A 3 LEU C C 13 175.754 0.3 A 3 LEU CA C 13 54.727 0.3 A 3 LEU CB C 13 42.745 0.3 A 3 LEU CD1 C 13 23.748 0.3 A 3 LEU CD2 C 13 24.783 0.3 A 3 LEU CG C 13 26.902 0.3 A 3 LEU N N 15 123.999 0.3 A 4 ARG H H 1 8.196 0.020 A 4 ARG HA H 1 4.434 0.020 A 4 ARG HBx H 1 1.675 0.020 A 4 ARG HBy H 1 1.791 0.020 A 4 ARG HD2 H 1 3.160 0.020 A 4 ARG HD3 H 1 3.160 0.020 A 4 ARG HGx H 1 1.511 0.020 A 4 ARG HGy H 1 1.634 0.020 A 4 ARG C C 13 174.065 0.3 A 4 ARG CA C 13 54.479 0.3 A 4 ARG CB C 13 32.069 0.3 A 4 ARG CD C 13 43.289 0.3 A 4 ARG CG C 13 26.501 0.3 A 4 ARG N N 15 122.374 0.3 A 5 CYS H H 1 8.784 0.020 A 5 CYS HA H 1 3.844 0.020 A 5 CYS HB2 H 1 2.970 0.020 A 5 CYS HB3 H 1 2.970 0.020 A 5 CYS C C 13 175.804 0.3 A 5 CYS CA C 13 60.555 0.3 A 5 CYS CB C 13 29.260 0.3 A 5 CYS N N 15 124.455 0.3 A 6 GLY H H 1 8.631 0.020 A 6 GLY HAx H 1 3.036 0.020 A 6 GLY HAy H 1 3.886 0.020 A 6 GLY C C 13 173.728 0.3 A 6 GLY CA C 13 46.363 0.3 A 6 GLY N N 15 115.425 0.3 A 7 CYS H H 1 8.873 0.020 A 7 CYS HA H 1 4.946 0.020 A 7 CYS HBx H 1 3.035 0.020 A 7 CYS HBy H 1 3.899 0.020 A 7 CYS CA C 13 57.163 0.3 A 7 CYS CB C 13 29.814 0.3 A 7 CYS N N 15 130.065 0.3 A 8 PRO HA H 1 4.192 0.020 A 8 PRO HBx H 1 1.928 0.020 A 8 PRO HBy H 1 2.293 0.020 A 8 PRO HDx H 1 4.023 0.020 A 8 PRO HDy H 1 4.232 0.020 A 8 PRO HGx H 1 2.051 0.020 A 8 PRO HGy H 1 2.209 0.020 A 8 PRO C C 13 176.926 0.3 A 8 PRO CA C 13 65.045 0.3 A 8 PRO CB C 13 32.073 0.3 A 8 PRO CD C 13 51.460 0.3 A 8 PRO CG C 13 27.596 0.3 A 9 ASP H H 1 8.479 0.020 A 9 ASP HA H 1 4.381 0.020 A 9 ASP HBx H 1 2.655 0.020 A 9 ASP HBy H 1 2.878 0.020 A 9 ASP C C 13 174.791 0.3 A 9 ASP CA C 13 54.921 0.3 A 9 ASP CB C 13 40.410 0.3 A 9 ASP N N 15 115.408 0.3 A 10 CYS H H 1 8.301 0.020 A 10 CYS HA H 1 4.539 0.020 A 10 CYS HBx H 1 2.935 0.020 A 10 CYS HBy H 1 3.295 0.020 A 10 CYS CA C 13 57.840 0.3 A 10 CYS CB C 13 32.297 0.3 A 10 CYS N N 15 120.406 0.3 A 11 HIS H H 1 8.815 0.020 A 11 HIS HA H 1 4.895 0.020 A 11 HIS HBx H 1 3.038 0.020 A 11 HIS HBy H 1 3.297 0.020 A 11 HIS HD2 H 1 6.960 0.020 A 11 HIS HE1 H 1 7.582 0.020 A 11 HIS C C 13 174.764 0.3 A 11 HIS CA C 13 55.418 0.3 A 11 HIS CB C 13 31.043 0.3 A 11 HIS CD2 C 13 119.418 0.3 A 11 HIS CE1 C 13 138.259 0.3 A 11 HIS N N 15 131.603 0.3 A 11 HIS ND1 N 15 222.056 0.3 A 11 HIS NE2 N 15 178.223 0.3 A 12 CYS H H 1 8.428 0.020 A 12 CYS HA H 1 4.205 0.020 A 12 CYS HBx H 1 2.854 0.020 A 12 CYS HBy H 1 3.473 0.020 A 12 CYS C C 13 174.504 0.3 A 12 CYS CA C 13 60.343 0.3 A 12 CYS CB C 13 29.683 0.3 A 12 CYS N N 15 126.099 0.3 A 13 LYS H H 1 8.615 0.020 A 13 LYS HA H 1 4.284 0.020 A 13 LYS HBx H 1 1.762 0.020 A 13 LYS HBy H 1 1.806 0.020 A 13 LYS HD2 H 1 1.684 0.020 A 13 LYS HD3 H 1 1.684 0.020 A 13 LYS HE2 H 1 3.015 0.020 A 13 LYS HE3 H 1 3.015 0.020 A 13 LYS HGx H 1 1.420 0.020 A 13 LYS HGy H 1 1.509 0.020 A 13 LYS C C 13 176.186 0.3 A 13 LYS CA C 13 56.668 0.3 A 13 LYS CB C 13 32.593 0.3 A 13 LYS CD C 13 28.930 0.3 A 13 LYS CE C 13 42.200 0.3 A 13 LYS CG C 13 24.852 0.3 A 13 LYS N N 15 129.770 0.3 A 14 VAL H H 1 8.421 0.020 A 14 VAL HA H 1 3.875 0.020 A 14 VAL HB H 1 1.730 0.020 A 14 VAL HGx% H 1 0.562 0.020 A 14 VAL HGy% H 1 0.700 0.020 A 14 VAL C C 13 174.864 0.3 A 14 VAL CA C 13 61.748 0.3 A 14 VAL CB C 13 32.253 0.3 A 14 VAL CG1 C 13 20.586 0.3 A 14 VAL CG2 C 13 22.182 0.3 A 14 VAL N N 15 123.913 0.3 A 15 ASP H H 1 8.665 0.020 A 15 ASP HA H 1 4.796 0.020 A 15 ASP HBx H 1 2.606 0.020 A 15 ASP HBy H 1 2.837 0.020 A 15 ASP C C 13 173.443 0.3 A 15 ASP CA C 13 51.108 0.3 A 15 ASP CB C 13 42.067 0.3 A 15 ASP N N 15 129.999 0.3 A 16 PRO HA H 1 4.057 0.020 A 16 PRO HBx H 1 1.960 0.020 A 16 PRO HBy H 1 2.279 0.020 A 16 PRO HD2 H 1 3.973 0.020 A 16 PRO HD3 H 1 3.973 0.020 A 16 PRO HG2 H 1 2.071 0.020 A 16 PRO HG3 H 1 2.071 0.020 A 16 PRO C C 13 177.889 0.3 A 16 PRO CA C 13 64.568 0.3 A 16 PRO CB C 13 32.200 0.3 A 16 PRO CD C 13 50.808 0.3 A 16 PRO CG C 13 27.427 0.3 A 17 GLU H H 1 8.473 0.020 A 17 GLU HA H 1 4.240 0.020 A 17 GLU HBx H 1 1.905 0.020 A 17 GLU HBy H 1 2.121 0.020 A 17 GLU HGx H 1 2.190 0.020 A 17 GLU HGy H 1 2.294 0.020 A 17 GLU C C 13 176.853 0.3 A 17 GLU CA C 13 56.773 0.3 A 17 GLU CB C 13 29.953 0.3 A 17 GLU CG C 13 36.822 0.3 A 17 GLU N N 15 115.350 0.3 A 18 ARG H H 1 8.124 0.020 A 18 ARG HA H 1 4.370 0.020 A 18 ARG HBx H 1 1.546 0.020 A 18 ARG HBy H 1 1.958 0.020 A 18 ARG HD2 H 1 3.212 0.020 A 18 ARG HD3 H 1 3.212 0.020 A 18 ARG HGx H 1 1.480 0.020 A 18 ARG HGy H 1 1.546 0.020 A 18 ARG C C 13 173.917 0.3 A 18 ARG CA C 13 54.810 0.3 A 18 ARG CB C 13 30.929 0.3 A 18 ARG CD C 13 43.431 0.3 A 18 ARG CG C 13 27.432 0.3 A 18 ARG N N 15 121.780 0.3 A 19 VAL H H 1 7.575 0.020 A 19 VAL HA H 1 3.862 0.020 A 19 VAL HB H 1 1.890 0.020 A 19 VAL HGx% H 1 0.812 0.020 A 19 VAL HGy% H 1 0.868 0.020 A 19 VAL C C 13 175.148 0.3 A 19 VAL CA C 13 62.574 0.3 A 19 VAL CB C 13 32.782 0.3 A 19 VAL CG1 C 13 21.122 0.3 A 19 VAL CG2 C 13 22.111 0.3 A 19 VAL N N 15 121.683 0.3 A 20 PHE H H 1 8.174 0.020 A 20 PHE HA H 1 4.528 0.020 A 20 PHE HBx H 1 2.703 0.020 A 20 PHE HBy H 1 2.805 0.020 A 20 PHE HDx H 1 7.114 0.020 A 20 PHE HDy H 1 7.277 0.020 A 20 PHE HE1 H 1 7.269 0.020 A 20 PHE HE2 H 1 7.269 0.020 A 20 PHE C C 13 174.710 0.3 A 20 PHE CA C 13 57.318 0.3 A 20 PHE CB C 13 39.295 0.3 A 20 PHE CD1 C 13 131.541 0.3 A 20 PHE CD2 C 13 131.494 0.3 A 20 PHE CE1 C 13 129.761 0.3 A 20 PHE CE2 C 13 129.761 0.3 A 20 PHE N N 15 127.021 0.3 A 21 ASN H H 1 8.495 0.020 A 21 ASN HA H 1 5.589 0.020 A 21 ASN HBx H 1 2.536 0.020 A 21 ASN HBy H 1 2.614 0.020 A 21 ASN HD21 H 1 7.269 0.020 A 21 ASN HD22 H 1 6.640 0.020 A 21 ASN CA C 13 52.900 0.3 A 21 ASN CB C 13 40.877 0.3 A 21 ASN N N 15 123.492 0.3 A 21 ASN ND2 N 15 111.995 0.3 A 22 HIS HA H 1 4.746 0.020 A 22 HIS HBx H 1 3.033 0.020 A 22 HIS HBy H 1 3.132 0.020 A 22 HIS HD2 H 1 6.966 0.020 A 22 HIS HE1 H 1 7.755 0.020 A 22 HIS CA C 13 57.339 0.3 A 22 HIS CB C 13 33.387 0.3 A 22 HIS CD2 C 13 120.261 0.3 A 22 HIS CE1 C 13 138.880 0.3 A 22 HIS ND1 N 15 216.638 0.3 A 22 HIS NE2 N 15 177.084 0.3 A 23 ASP HA H 1 4.178 0.020 A 23 ASP HBx H 1 2.066 0.020 A 23 ASP HBy H 1 2.887 0.020 A 23 ASP C C 13 175.326 0.3 A 23 ASP CA C 13 54.866 0.3 A 23 ASP CB C 13 39.725 0.3 A 24 GLY H H 1 8.458 0.020 A 24 GLY HAx H 1 3.598 0.020 A 24 GLY HAy H 1 4.140 0.020 A 24 GLY C C 13 173.701 0.3 A 24 GLY CA C 13 45.499 0.3 A 24 GLY N N 15 104.257 0.3 A 25 GLU H H 1 7.864 0.020 A 25 GLU HA H 1 4.585 0.020 A 25 GLU HBx H 1 1.891 0.020 A 25 GLU HBy H 1 1.926 0.020 A 25 GLU HG2 H 1 2.127 0.020 A 25 GLU HG3 H 1 2.127 0.020 A 25 GLU C C 13 173.660 0.3 A 25 GLU CA C 13 54.094 0.3 A 25 GLU CB C 13 32.470 0.3 A 25 GLU CG C 13 35.865 0.3 A 25 GLU N N 15 121.129 0.3 A 26 ALA H H 1 8.413 0.020 A 26 ALA HA H 1 4.672 0.020 A 26 ALA HB% H 1 1.221 0.020 A 26 ALA C C 13 176.236 0.3 A 26 ALA CA C 13 51.350 0.3 A 26 ALA CB C 13 21.397 0.3 A 26 ALA N N 15 125.040 0.3 A 27 TYR H H 1 8.551 0.020 A 27 TYR HA H 1 5.544 0.020 A 27 TYR HBx H 1 3.014 0.020 A 27 TYR HBy H 1 3.039 0.020 A 27 TYR HD1 H 1 7.235 0.020 A 27 TYR HD2 H 1 7.235 0.020 A 27 TYR HE1 H 1 6.819 0.020 A 27 TYR HE2 H 1 6.819 0.020 A 27 TYR C C 13 175.511 0.3 A 27 TYR CA C 13 56.553 0.3 A 27 TYR CB C 13 43.009 0.3 A 27 TYR CD1 C 13 133.733 0.3 A 27 TYR CD2 C 13 133.733 0.3 A 27 TYR CE1 C 13 118.320 0.3 A 27 TYR N N 15 115.945 0.3 A 28 CYS H H 1 9.832 0.020 A 28 CYS HA H 1 4.520 0.020 A 28 CYS HBx H 1 2.667 0.020 A 28 CYS HBy H 1 3.248 0.020 A 28 CYS C C 13 175.153 0.3 A 28 CYS CA C 13 59.259 0.3 A 28 CYS CB C 13 31.478 0.3 A 28 CYS N N 15 120.215 0.3 A 29 SER H H 1 7.202 0.020 A 29 SER HA H 1 4.130 0.020 A 29 SER HB2 H 1 3.832 0.020 A 29 SER HB3 H 1 3.832 0.020 A 29 SER C C 13 172.708 0.3 A 29 SER CA C 13 56.858 0.3 A 29 SER CB C 13 64.261 0.3 A 29 SER N N 15 111.108 0.3 A 30 GLN H H 1 8.221 0.020 A 30 GLN HA H 1 3.023 0.020 A 30 GLN HB2 H 1 1.599 0.020 A 30 GLN HB3 H 1 1.599 0.020 A 30 GLN HE21 H 1 7.781 0.020 A 30 GLN HE22 H 1 6.630 0.020 A 30 GLN HG2 H 1 1.976 0.020 A 30 GLN HG3 H 1 1.976 0.020 A 30 GLN C C 13 176.698 0.3 A 30 GLN CA C 13 58.298 0.3 A 30 GLN CB C 13 27.420 0.3 A 30 GLN CG C 13 32.492 0.3 A 30 GLN N N 15 123.341 0.3 A 30 GLN NE2 N 15 111.768 0.3 A 31 ALA H H 1 7.917 0.020 A 31 ALA HA H 1 3.692 0.020 A 31 ALA HB% H 1 1.001 0.020 A 31 ALA C C 13 179.031 0.3 A 31 ALA CA C 13 55.103 0.3 A 31 ALA CB C 13 18.655 0.3 A 31 ALA N N 15 119.119 0.3 A 32 CYS H H 1 7.140 0.020 A 32 CYS HA H 1 3.510 0.020 A 32 CYS HBx H 1 2.720 0.020 A 32 CYS HBy H 1 3.205 0.020 A 32 CYS C C 13 177.037 0.3 A 32 CYS CA C 13 61.879 0.3 A 32 CYS CB C 13 31.715 0.3 A 32 CYS N N 15 113.624 0.3 A 33 ALA H H 1 7.479 0.020 A 33 ALA HA H 1 1.857 0.020 A 33 ALA HB% H 1 0.903 0.020 A 33 ALA C C 13 177.924 0.3 A 33 ALA CA C 13 54.338 0.3 A 33 ALA CB C 13 18.820 0.3 A 33 ALA N N 15 123.961 0.3 A 34 GLU H H 1 7.467 0.020 A 34 GLU HA H 1 3.887 0.020 A 34 GLU HBx H 1 1.466 0.020 A 34 GLU HBy H 1 1.952 0.020 A 34 GLU HGx H 1 1.867 0.020 A 34 GLU HGy H 1 2.129 0.020 A 34 GLU C C 13 175.263 0.3 A 34 GLU CA C 13 55.305 0.3 A 34 GLU CB C 13 29.118 0.3 A 34 GLU CG C 13 36.878 0.3 A 34 GLU N N 15 112.311 0.3 A 35 GLN H H 1 7.378 0.020 A 35 GLN HA H 1 3.876 0.020 A 35 GLN HBx H 1 2.159 0.020 A 35 GLN HBy H 1 2.266 0.020 A 35 GLN HE21 H 1 7.537 0.020 A 35 GLN HE22 H 1 6.662 0.020 A 35 GLN HGx H 1 2.110 0.020 A 35 GLN HGy H 1 2.277 0.020 A 35 GLN C C 13 175.191 0.3 A 35 GLN CA C 13 57.085 0.3 A 35 GLN CB C 13 25.140 0.3 A 35 GLN CG C 13 34.197 0.3 A 35 GLN N N 15 112.915 0.3 A 35 GLN NE2 N 15 112.578 0.3 A 36 HIS H H 1 8.440 0.020 A 36 HIS HA H 1 3.732 0.020 A 36 HIS HBx H 1 2.745 0.020 A 36 HIS HBy H 1 3.385 0.020 A 36 HIS HD2 H 1 6.847 0.020 A 36 HIS HE1 H 1 7.476 0.020 A 36 HIS CA C 13 56.650 0.3 A 36 HIS CB C 13 27.051 0.3 A 36 HIS CD2 C 13 127.934 0.3 A 36 HIS CE1 C 13 138.999 0.3 A 36 HIS N N 15 111.038 0.3 A 36 HIS ND1 N 15 174.256 0.3 A 36 HIS NE2 N 15 223.655 0.3 A 37 PRO HA H 1 4.309 0.020 A 37 PRO HBx H 1 1.877 0.020 A 37 PRO HBy H 1 2.198 0.020 A 37 PRO HDx H 1 3.434 0.020 A 37 PRO HDy H 1 3.530 0.020 A 37 PRO HGx H 1 1.938 0.020 A 37 PRO HGy H 1 2.061 0.020 A 37 PRO CA C 13 64.496 0.3 A 37 PRO CB C 13 31.299 0.3 A 37 PRO CD C 13 50.597 0.3 A 37 PRO CG C 13 27.345 0.3 A 38 ASN HA H 1 4.750 0.020 A 38 ASN HBx H 1 2.588 0.020 A 38 ASN HBy H 1 2.906 0.020 A 38 ASN HD21 H 1 7.867 0.020 A 38 ASN HD22 H 1 6.952 0.020 A 38 ASN C C 13 175.788 0.3 A 38 ASN CA C 13 52.830 0.3 A 38 ASN CB C 13 38.918 0.3 A 38 ASN ND2 N 15 115.614 0.3 A 39 GLY H H 1 8.016 0.020 A 39 GLY HAx H 1 3.651 0.020 A 39 GLY HAy H 1 3.934 0.020 A 39 GLY CA C 13 46.053 0.3 A 39 GLY N N 15 107.510 0.3 A 40 GLU HA H 1 4.284 0.020 A 40 GLU HBx H 1 1.807 0.020 A 40 GLU HBy H 1 1.965 0.020 A 40 GLU HGx H 1 2.231 0.020 A 40 GLU HGy H 1 2.403 0.020 A 40 GLU CA C 13 54.882 0.3 A 40 GLU CB C 13 27.054 0.3 A 40 GLU CG C 13 35.927 0.3 A 41 PRO HA H 1 4.392 0.020 A 41 PRO HBy H 1 2.196 0.020 A 41 PRO HBx H 1 2.150 0.020 A 41 PRO HDx H 1 3.610 0.020 A 41 PRO HDy H 1 3.895 0.020 A 41 PRO HGx H 1 1.893 0.020 A 41 PRO HGy H 1 1.960 0.020 A 41 PRO C C 13 177.122 0.3 A 41 PRO CA C 13 62.864 0.3 A 41 PRO CB C 13 32.678 0.3 A 41 PRO CD C 13 50.841 0.3 A 41 PRO CG C 13 26.954 0.3 A 42 CYS H H 1 9.078 0.020 A 42 CYS HA H 1 4.772 0.020 A 42 CYS HBx H 1 2.727 0.020 A 42 CYS HBy H 1 3.726 0.020 A 42 CYS CA C 13 57.562 0.3 A 42 CYS CB C 13 30.286 0.3 A 42 CYS N N 15 120.026 0.3 A 43 PRO HA H 1 4.358 0.020 A 43 PRO HBx H 1 2.036 0.020 A 43 PRO HBy H 1 2.437 0.020 A 43 PRO HDx H 1 3.739 0.020 A 43 PRO HDy H 1 4.231 0.020 A 43 PRO HG2 H 1 2.103 0.020 A 43 PRO HG3 H 1 2.103 0.020 A 43 PRO C C 13 177.039 0.3 A 43 PRO CA C 13 64.488 0.3 A 43 PRO CB C 13 32.497 0.3 A 43 PRO CD C 13 51.715 0.3 A 43 PRO CG C 13 27.426 0.3 A 44 ALA H H 1 7.971 0.020 A 44 ALA HA H 1 4.918 0.020 A 44 ALA HB% H 1 1.386 0.020 A 44 ALA CA C 13 49.502 0.3 A 44 ALA CB C 13 18.738 0.3 A 44 ALA N N 15 124.122 0.3 A 45 PRO HA H 1 4.037 0.020 A 45 PRO HBx H 1 1.958 0.020 A 45 PRO HBy H 1 2.326 0.020 A 45 PRO HDx H 1 3.876 0.020 A 45 PRO HDy H 1 4.154 0.020 A 45 PRO HG2 H 1 2.026 0.020 A 45 PRO HG3 H 1 2.026 0.020 A 45 PRO C C 13 176.563 0.3 A 45 PRO CA C 13 64.222 0.3 A 45 PRO CB C 13 31.999 0.3 A 45 PRO CD C 13 51.074 0.3 A 45 PRO CG C 13 27.382 0.3 A 46 ASP H H 1 8.270 0.020 A 46 ASP HA H 1 4.480 0.020 A 46 ASP HBx H 1 2.645 0.020 A 46 ASP HBy H 1 2.814 0.020 A 46 ASP C C 13 174.464 0.3 A 46 ASP CA C 13 52.646 0.3 A 46 ASP CB C 13 39.997 0.3 A 46 ASP N N 15 114.083 0.3 A 47 CYS H H 1 7.234 0.020 A 47 CYS HB2 H 1 2.920 0.020 A 47 CYS HB3 H 1 2.920 0.020 A 47 CYS N N 15 122.163 0.3 A 48 HIS HA H 1 4.709 0.020 A 48 HIS HB2 H 1 3.179 0.020 A 48 HIS HB3 H 1 3.179 0.020 A 48 HIS HD2 H 1 6.936 0.020 A 48 HIS HE1 H 1 7.971 0.020 A 48 HIS CA C 13 57.802 0.3 A 48 HIS CB C 13 28.083 0.3 A 48 HIS CD2 C 13 121.367 0.3 A 48 HIS CE1 C 13 137.795 0.3 A 48 HIS ND1 N 15 190.727 0.3 A 48 HIS NE2 N 15 179.410 0.3 A 49 CYS HA H 1 4.269 0.020 A 49 CYS HBx H 1 2.653 0.020 A 49 CYS HBy H 1 3.617 0.020 A 49 CYS C C 13 173.443 0.3 A 49 CYS CA C 13 59.983 0.3 A 49 CYS CB C 13 30.777 0.3 A 50 GLU H H 1 9.462 0.020 A 50 GLU HA H 1 3.368 0.020 A 50 GLU HBx H 1 1.204 0.020 A 50 GLU HBy H 1 1.393 0.020 A 50 GLU HGx H 1 1.854 0.020 A 50 GLU HGy H 1 2.170 0.020 A 50 GLU C C 13 175.402 0.3 A 50 GLU CA C 13 56.073 0.3 A 50 GLU CB C 13 28.762 0.3 A 50 GLU CG C 13 34.895 0.3 A 50 GLU N N 15 124.906 0.3 A 51 ARG H H 1 7.614 0.020 A 51 ARG HA H 1 4.288 0.020 A 51 ARG HB2 H 1 1.830 0.020 A 51 ARG HB3 H 1 1.830 0.020 A 51 ARG HDx H 1 3.091 0.020 A 51 ARG HDy H 1 3.122 0.020 A 51 ARG HG2 H 1 1.562 0.020 A 51 ARG HG3 H 1 1.562 0.020 A 51 ARG C C 13 175.061 0.3 A 51 ARG CA C 13 56.099 0.3 A 51 ARG CB C 13 30.500 0.3 A 51 ARG CD C 13 43.588 0.3 A 51 ARG CG C 13 27.048 0.3 A 51 ARG N N 15 121.840 0.3 A 52 SER H H 1 7.789 0.020 A 52 SER HA H 1 4.227 0.020 A 52 SER HB2 H 1 3.817 0.020 A 52 SER HB3 H 1 3.817 0.020 A 52 SER CA C 13 59.975 0.3 A 52 SER CB C 13 64.809 0.3 A 52 SER N N 15 122.170 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 15 ASP HA A 16 PRO HA 1.0 0.0 4.43 2 2 A 16 PRO HA A 3 LEU HDy% 1.0 0.0 3.51 3 3 A 16 PRO HA A 19 VAL H 1.0 0.0 5.37 4 4 A 29 SER H A 29 SER HB2 1.0 0.0 4.15 5 4 A 29 SER H A 29 SER HB3 1.0 0.0 4.15 6 5 A 29 SER HB3 A 30 GLN HG2 1.0 0.0 4.40 7 5 A 29 SER HB2 A 30 GLN HG2 1.0 0.0 4.40 8 5 A 30 GLN HG3 A 29 SER HB2 1.0 0.0 4.40 9 5 A 29 SER HB3 A 30 GLN HG3 1.0 0.0 4.40 10 6 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 3.39 11 7 A 32 CYS HA A 36 HIS HD2 1.0 0.0 4.44 12 8 A 32 CYS HA A 35 GLN HA 1.0 0.0 4.86 13 9 A 13 LYS HA A 14 VAL HA 1.0 0.0 4.88 14 10 A 32 CYS HA A 7 CYS HBx 1.0 0.0 4.56 15 11 A 32 CYS HA A 31 ALA HB% 1.0 0.0 4.67 16 12 A 32 CYS HA A 36 HIS H 1.0 0.0 4.98 17 13 A 5 CYS HA A 27 TYR HA 1.0 0.0 3.35 18 14 A 5 CYS HA A 26 ALA HB% 1.0 0.0 4.94 19 15 A 5 CYS HA A 28 CYS HBy 1.0 0.0 4.95 20 16 A 12 CYS HA A 44 ALA HB% 1.0 0.0 3.38 21 17 A 49 CYS HA A 51 ARG H 1.0 0.0 4.86 22 18 A 49 CYS HA A 51 ARG HG2 1.0 0.0 5.50 23 18 A 49 CYS HA A 51 ARG HG3 1.0 0.0 5.50 24 19 A 52 SER HA A 51 ARG HG2 1.0 0.0 5.50 25 19 A 51 ARG HG3 A 52 SER HA 1.0 0.0 5.50 26 20 A 51 ARG H A 52 SER HA 1.0 0.0 5.42 27 21 A 28 CYS HA A 28 CYS HBx 1.0 0.0 3.00 28 22 A 28 CYS HA A 14 VAL HGy% 1.0 0.0 3.24 29 23 A 28 CYS HA A 20 PHE H 1.0 0.0 4.97 30 24 A 28 CYS HA A 27 TYR HBy 1.0 0.0 4.81 31 25 A 14 VAL HA A 28 CYS HA 1.0 0.0 3.30 32 26 A 30 GLN HA A 32 CYS H 1.0 0.0 5.50 33 27 A 30 GLN HA A 33 ALA H 1.0 0.0 4.42 34 28 A 30 GLN HA A 33 ALA HB% 1.0 0.0 3.29 35 29 A 30 GLN HA A 20 PHE HBy 1.0 0.0 4.61 36 30 A 10 CYS HA A 48 HIS HB2 1.0 0.0 5.05 37 30 A 10 CYS HA A 48 HIS HB3 1.0 0.0 5.05 38 31 A 30 GLN HA A 20 PHE HE% 1.0 0.0 5.20 39 32 A 30 GLN HA A 20 PHE HDy 1.0 0.0 5.50 40 33 A 42 CYS HA A 42 CYS HBy 1.0 0.0 2.58 41 34 A 22 HIS HA A 25 GLU H 1.0 0.0 4.63 42 35 A 20 PHE HA A 20 PHE HDx 1.0 0.0 3.96 43 36 A 7 CYS HA A 27 TYR HE% 1.0 0.0 4.15 44 37 A 20 PHE HA A 21 ASN HA 1.0 0.0 4.75 45 38 A 27 TYR HA A 28 CYS HA 1.0 0.0 4.54 46 39 A 27 TYR HA A 28 CYS HBy 1.0 0.0 5.18 47 40 A 16 PRO HA A 17 GLU HA 1.0 0.0 4.61 48 41 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.84 49 42 A 29 SER HA A 31 ALA H 1.0 0.0 4.82 50 43 A 29 SER HA A 20 PHE HBx 1.0 0.0 4.42 51 44 A 27 TYR HA A 26 ALA HB% 1.0 0.0 5.03 52 45 A 34 GLU H A 36 HIS HA 1.0 0.0 5.17 53 46 A 36 HIS HA A 37 PRO HDy 1.0 0.0 3.90 54 47 A 36 HIS HA A 37 PRO HDx 1.0 0.0 3.90 55 48 A 51 ARG HA A 51 ARG HG2 1.0 0.0 3.47 56 48 A 51 ARG HG3 A 51 ARG HA 1.0 0.0 3.47 57 49 A 36 HIS H A 34 GLU HA 1.0 0.0 4.50 58 50 A 33 ALA HB% A 34 GLU HA 1.0 0.0 4.16 59 51 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.75 60 52 A 33 ALA H A 31 ALA HA 1.0 0.0 5.50 61 53 A 40 GLU HA A 40 GLU HGx 1.0 0.0 4.24 62 54 A 36 HIS HD2 A 31 ALA HA 1.0 0.0 5.46 63 55 A 31 ALA HA A 30 GLN HG2 1.0 0.0 4.36 64 55 A 30 GLN HG3 A 31 ALA HA 1.0 0.0 4.36 65 56 A 31 ALA HA A 34 GLU HBx 1.0 0.0 4.80 66 57 A 18 ARG HA A 18 ARG HGy 1.0 0.0 3.28 67 58 A 3 LEU HA A 4 ARG H 1.0 0.0 3.07 68 59 A 40 GLU HA A 41 PRO HDx 1.0 0.0 3.00 69 60 A 22 HIS HA A 23 ASP HA 1.0 0.0 4.47 70 61 A 4 ARG HA A 4 ARG HGy 1.0 0.0 4.22 71 62 A 14 VAL HGy% A 4 ARG HA 1.0 0.0 4.28 72 63 A 4 ARG HA A 4 ARG HGx 1.0 0.0 4.22 73 64 A 4 ARG HA A 5 CYS HB2 1.0 0.0 4.79 74 64 A 4 ARG HA A 5 CYS HB3 1.0 0.0 4.79 75 65 A 34 GLU HA A 33 ALA HA 1.0 0.0 4.83 76 66 A 27 TYR HBy A 33 ALA HA 1.0 0.0 4.52 77 67 A 33 ALA HA A 27 TYR HBx 1.0 0.0 4.57 78 68 A 25 GLU HA A 25 GLU HG2 1.0 0.0 3.53 79 68 A 25 GLU HA A 25 GLU HG3 1.0 0.0 3.53 80 69 A 5 CYS HA A 4 ARG HA 1.0 0.0 5.25 81 70 A 27 TYR HE% A 33 ALA HA 1.0 0.0 4.40 82 71 A 37 PRO HGx A 38 ASN HA 1.0 0.0 4.62 83 72 A 21 ASN HA A 27 TYR HD% 1.0 0.0 4.24 84 73 A 21 ASN HA A 22 HIS HBx 1.0 0.0 5.37 85 74 A 21 ASN HA A 27 TYR HBx 1.0 0.0 5.50 86 75 A 38 ASN HA A 39 GLY HAy 1.0 0.0 4.59 87 76 A 21 ASN HA A 27 TYR H 1.0 0.0 4.33 88 77 A 21 ASN HA A 26 ALA HA 1.0 0.0 3.55 89 78 A 42 CYS HA A 43 PRO HDx 1.0 0.0 3.61 90 79 A 43 PRO HDx A 42 CYS HBx 1.0 0.0 2.85 91 80 A 6 GLY HAx A 8 PRO HDy 1.0 0.0 4.69 92 81 A 42 CYS HA A 43 PRO HDy 1.0 0.0 2.99 93 82 A 42 CYS HBy A 43 PRO HDy 1.0 0.0 4.60 94 83 A 7 CYS HA A 8 PRO HDy 1.0 0.0 2.83 95 84 A 31 ALA HB% A 43 PRO HDx 1.0 0.0 4.64 96 85 A 7 CYS HA A 8 PRO HDx 1.0 0.0 3.10 97 86 A 20 PHE H A 26 ALA HA 1.0 0.0 5.24 98 87 A 27 TYR HD% A 26 ALA HA 1.0 0.0 4.77 99 88 A 44 ALA HA A 45 PRO HDy 1.0 0.0 3.01 100 89 A 44 ALA HA A 45 PRO HDx 1.0 0.0 3.01 101 90 A 46 ASP H A 45 PRO HDy 1.0 0.0 4.88 102 91 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 4.12 103 92 A 15 ASP H A 16 PRO HD2 1.0 0.0 5.01 104 92 A 15 ASP H A 16 PRO HD3 1.0 0.0 5.01 105 93 A 17 GLU H A 16 PRO HD2 1.0 0.0 4.81 106 93 A 16 PRO HD3 A 17 GLU H 1.0 0.0 4.81 107 94 A 15 ASP HBx A 16 PRO HD2 1.0 0.0 4.90 108 94 A 16 PRO HD3 A 15 ASP HBx 1.0 0.0 4.90 109 95 A 15 ASP HA A 16 PRO HD2 1.0 0.0 2.88 110 95 A 15 ASP HA A 16 PRO HD3 1.0 0.0 2.88 111 96 A 40 GLU HA A 41 PRO HDy 1.0 0.0 3.00 112 97 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 4.12 113 98 A 34 GLU HBx A 37 PRO HDy 1.0 0.0 4.19 114 99 A 34 GLU H A 37 PRO HDy 1.0 0.0 5.24 115 100 A 36 HIS H A 37 PRO HDx 1.0 0.0 4.11 116 101 A 34 GLU HBx A 37 PRO HDx 1.0 0.0 4.19 117 102 A 34 GLU H A 37 PRO HDx 1.0 0.0 5.24 118 103 A 44 ALA HA A 45 PRO HG2 1.0 0.0 4.17 119 103 A 44 ALA HA A 45 PRO HG3 1.0 0.0 4.17 120 104 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 4.99 121 104 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 4.99 122 105 A 40 GLU HA A 39 GLY HAx 1.0 0.0 5.04 123 106 A 51 ARG HB3 A 51 ARG HDy 1.0 0.0 3.69 124 106 A 51 ARG HB2 A 51 ARG HDy 1.0 0.0 3.69 125 107 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.63 126 107 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.63 127 108 A 51 ARG HDx A 51 ARG HB2 1.0 0.0 3.69 128 108 A 51 ARG HB3 A 51 ARG HDx 1.0 0.0 3.69 129 109 A 4 ARG HD3 A 4 ARG HBx 1.0 0.0 3.60 130 109 A 4 ARG HBx A 4 ARG HD2 1.0 0.0 3.60 131 110 A 5 CYS H A 4 ARG HD2 1.0 0.0 5.44 132 110 A 4 ARG HD3 A 5 CYS H 1.0 0.0 5.44 133 111 A 4 ARG HD3 A 4 ARG HBy 1.0 0.0 3.60 134 111 A 4 ARG HBy A 4 ARG HD2 1.0 0.0 3.60 135 112 A 5 CYS HA A 27 TYR HBy 1.0 0.0 5.50 136 113 A 27 TYR HBy A 6 GLY HAy 1.0 0.0 5.50 137 114 A 3 LEU HDx% A 4 ARG HD2 1.0 0.0 5.19 138 114 A 4 ARG HD3 A 3 LEU HDx% 1.0 0.0 5.19 139 115 A 4 ARG HA A 4 ARG HD2 1.0 0.0 4.48 140 115 A 4 ARG HA A 4 ARG HD3 1.0 0.0 4.48 141 116 A 27 TYR HBx A 28 CYS H 1.0 0.0 3.99 142 117 A 33 ALA H A 27 TYR HBx 1.0 0.0 4.48 143 118 A 27 TYR HBy A 27 TYR H 1.0 0.0 3.91 144 119 A 13 LYS H A 13 LYS HE2 1.0 0.0 4.89 145 119 A 13 LYS H A 13 LYS HE3 1.0 0.0 4.89 146 120 A 14 VAL HA A 13 LYS HE2 1.0 0.0 5.08 147 120 A 14 VAL HA A 13 LYS HE3 1.0 0.0 5.08 148 121 A 15 ASP H A 13 LYS HE2 1.0 0.0 5.33 149 121 A 15 ASP H A 13 LYS HE3 1.0 0.0 5.33 150 122 A 14 VAL HA A 15 ASP HBy 1.0 0.0 5.50 151 123 A 19 VAL HA A 15 ASP HBy 1.0 0.0 5.50 152 124 A 18 ARG HGy A 15 ASP HBx 1.0 0.0 5.42 153 125 A 14 VAL H A 13 LYS HE2 1.0 0.0 4.66 154 125 A 13 LYS HE3 A 14 VAL H 1.0 0.0 4.66 155 126 A 13 LYS HA A 13 LYS HE2 1.0 0.0 4.50 156 126 A 13 LYS HA A 13 LYS HE3 1.0 0.0 4.50 157 127 A 15 ASP HBx A 13 LYS HE2 1.0 0.0 4.32 158 127 A 15 ASP HBx A 13 LYS HE3 1.0 0.0 4.32 159 128 A 20 PHE HBy A 20 PHE HDx 1.0 0.0 3.56 160 129 A 20 PHE HBy A 29 SER HA 1.0 0.0 5.45 161 130 A 20 PHE HBy A 27 TYR HD% 1.0 0.0 3.98 162 131 A 33 ALA HB% A 20 PHE HBy 1.0 0.0 3.94 163 132 A 20 PHE HDx A 20 PHE HBx 1.0 0.0 3.50 164 133 A 20 PHE HBx A 27 TYR HBx 1.0 0.0 3.92 165 134 A 33 ALA HB% A 20 PHE HBx 1.0 0.0 3.82 166 135 A 20 PHE HBx A 27 TYR HD% 1.0 0.0 5.08 167 136 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.23 168 137 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.84 169 138 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.75 170 139 A 40 GLU HA A 40 GLU HGy 1.0 0.0 4.24 171 140 A 2 GLU HA A 2 GLU HG2 1.0 0.0 3.80 172 140 A 2 GLU HA A 2 GLU HG3 1.0 0.0 3.80 173 141 A 6 GLY H A 25 GLU HG2 1.0 0.0 4.72 174 141 A 25 GLU HG3 A 6 GLY H 1.0 0.0 4.72 175 142 A 25 GLU H A 25 GLU HG2 1.0 0.0 4.09 176 142 A 25 GLU H A 25 GLU HG3 1.0 0.0 4.09 177 143 A 27 TYR HE% A 25 GLU HG2 1.0 0.0 4.23 178 143 A 27 TYR HE% A 25 GLU HG3 1.0 0.0 4.23 179 144 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 3.84 180 144 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 3.84 181 145 A 25 GLU HBx A 25 GLU HG2 1.0 0.0 2.44 182 145 A 25 GLU HBy A 25 GLU HG2 1.0 0.0 2.44 183 145 A 25 GLU HG3 A 25 GLU HBy 1.0 0.0 2.44 184 145 A 25 GLU HG3 A 25 GLU HBx 1.0 0.0 2.44 185 146 A 51 ARG H A 50 GLU HGx 1.0 0.0 5.32 186 147 A 35 GLN HA A 35 GLN HGy 1.0 0.0 3.71 187 148 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.71 188 149 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 4.75 189 150 A 27 TYR HE% A 22 HIS HBx 1.0 0.0 4.05 190 151 A 27 TYR HD% A 22 HIS HBy 1.0 0.0 4.75 191 152 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 3.97 192 153 A 27 TYR HE% A 22 HIS HBy 1.0 0.0 4.05 193 154 A 21 ASN HA A 22 HIS HBy 1.0 0.0 5.37 194 155 A 33 ALA HB% A 22 HIS HBx 1.0 0.0 3.97 195 156 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.76 196 156 A 27 TYR HE% A 25 GLU HBx 1.0 0.0 3.76 197 157 A 18 ARG H A 19 VAL HB 1.0 0.0 4.48 198 158 A 20 PHE HDx A 30 GLN HG2 1.0 0.0 5.50 199 158 A 30 GLN HG3 A 20 PHE HDx 1.0 0.0 5.50 200 159 A 32 CYS H A 30 GLN HG2 1.0 0.0 5.50 201 159 A 30 GLN HG3 A 32 CYS H 1.0 0.0 5.50 202 160 A 16 PRO HA A 19 VAL HB 1.0 0.0 4.49 203 161 A 7 CYS HBy A 10 CYS HBx 1.0 0.0 3.66 204 162 A 33 ALA H A 30 GLN HG2 1.0 0.0 5.50 205 162 A 30 GLN HG3 A 33 ALA H 1.0 0.0 5.50 206 163 A 34 GLU H A 30 GLN HG2 1.0 0.0 5.50 207 163 A 30 GLN HG3 A 34 GLU H 1.0 0.0 5.50 208 164 A 30 GLN HA A 30 GLN HG2 1.0 0.0 3.37 209 164 A 30 GLN HG3 A 30 GLN HA 1.0 0.0 3.37 210 165 A 8 PRO HBx A 9 ASP HA 1.0 0.0 4.33 211 166 A 6 GLY HAy A 25 GLU HBy 1.0 0.0 3.92 212 166 A 6 GLY HAy A 25 GLU HBx 1.0 0.0 3.92 213 167 A 4 ARG HA A 14 VAL HB 1.0 0.0 4.20 214 168 A 7 CYS HBx A 32 CYS HBy 1.0 0.0 3.01 215 169 A 33 ALA H A 32 CYS HBy 1.0 0.0 4.34 216 170 A 28 CYS H A 32 CYS HBx 1.0 0.0 4.43 217 171 A 27 TYR HA A 32 CYS HBx 1.0 0.0 4.66 218 172 A 28 CYS HBx A 14 VAL HGx% 1.0 0.0 4.87 219 173 A 28 CYS HBx A 14 VAL HGy% 1.0 0.0 4.02 220 174 A 14 VAL HA A 28 CYS HBx 1.0 0.0 4.41 221 175 A 28 CYS H A 32 CYS HBy 1.0 0.0 4.76 222 176 A 29 SER H A 32 CYS HBx 1.0 0.0 3.45 223 177 A 27 TYR HBy A 32 CYS HBx 1.0 0.0 3.34 224 178 A 33 ALA HB% A 32 CYS HBx 1.0 0.0 5.40 225 179 A 28 CYS HBy A 14 VAL HGx% 1.0 0.0 4.42 226 180 A 28 CYS HBy A 12 CYS HBx 1.0 0.0 4.24 227 181 A 31 ALA HB% A 42 CYS HBx 1.0 0.0 5.17 228 182 A 42 CYS HBx A 36 HIS HE1 1.0 0.0 4.45 229 183 A 27 TYR HE% A 7 CYS HBy 1.0 0.0 5.44 230 184 A 44 ALA HB% A 42 CYS HBx 1.0 0.0 5.44 231 185 A 7 CYS HBx A 27 TYR HE% 1.0 0.0 4.48 232 186 A 42 CYS HBy A 43 PRO HDx 1.0 0.0 3.99 233 187 A 7 CYS HBy A 7 CYS H 1.0 0.0 3.46 234 188 A 27 TYR HD% A 7 CYS HBy 1.0 0.0 5.35 235 189 A 7 CYS HBy A 10 CYS HBy 1.0 0.0 3.66 236 190 A 7 CYS HBx A 32 CYS HBx 1.0 0.0 4.29 237 191 A 7 CYS HBx A 9 ASP H 1.0 0.0 5.02 238 192 A 44 ALA HB% A 12 CYS HBy 1.0 0.0 3.59 239 193 A 7 CYS HBy A 32 CYS HBy 1.0 0.0 3.81 240 194 A 44 ALA HB% A 12 CYS HBx 1.0 0.0 4.07 241 195 A 7 CYS HBx A 27 TYR HD% 1.0 0.0 3.58 242 196 A 12 CYS HBy A 12 CYS H 1.0 0.0 3.73 243 197 A 44 ALA HA A 12 CYS HBy 1.0 0.0 4.99 244 198 A 13 LYS H A 12 CYS HBy 1.0 0.0 5.18 245 199 A 28 CYS HBy A 5 CYS HB2 1.0 0.0 3.49 246 199 A 28 CYS HBy A 5 CYS HB3 1.0 0.0 3.49 247 200 A 6 GLY H A 5 CYS HB2 1.0 0.0 4.55 248 200 A 5 CYS HB3 A 6 GLY H 1.0 0.0 4.55 249 201 A 27 TYR HD% A 5 CYS HB2 1.0 0.0 4.82 250 201 A 5 CYS HB3 A 27 TYR HD% 1.0 0.0 4.82 251 202 A 14 VAL HGx% A 5 CYS HB2 1.0 0.0 4.81 252 202 A 5 CYS HB3 A 14 VAL HGx% 1.0 0.0 4.81 253 203 A 28 CYS H A 5 CYS HB2 1.0 0.0 4.15 254 203 A 5 CYS HB3 A 28 CYS H 1.0 0.0 4.15 255 204 A 13 LYS HA A 13 LYS HD2 1.0 0.0 4.33 256 204 A 13 LYS HA A 13 LYS HD3 1.0 0.0 4.33 257 205 A 27 TYR HA A 5 CYS HB2 1.0 0.0 4.51 258 205 A 27 TYR HA A 5 CYS HB3 1.0 0.0 4.51 259 206 A 12 CYS H A 5 CYS HB2 1.0 0.0 5.04 260 206 A 5 CYS HB3 A 12 CYS H 1.0 0.0 5.04 261 207 A 13 LYS HD3 A 13 LYS HGy 1.0 0.0 2.87 262 207 A 13 LYS HD2 A 13 LYS HGy 1.0 0.0 2.87 263 208 A 13 LYS HD3 A 13 LYS HGx 1.0 0.0 2.87 264 208 A 13 LYS HGx A 13 LYS HD2 1.0 0.0 2.87 265 209 A 42 CYS HA A 43 PRO HG2 1.0 0.0 4.84 266 209 A 42 CYS HA A 43 PRO HG3 1.0 0.0 4.84 267 210 A 46 ASP H A 45 PRO HG2 1.0 0.0 4.80 268 210 A 46 ASP H A 45 PRO HG3 1.0 0.0 4.80 269 211 A 17 GLU H A 16 PRO HG2 1.0 0.0 5.19 270 211 A 17 GLU H A 16 PRO HG3 1.0 0.0 5.19 271 212 A 51 ARG HB3 A 51 ARG HG2 1.0 0.0 2.61 272 212 A 51 ARG HB2 A 51 ARG HG2 1.0 0.0 2.61 273 212 A 51 ARG HG3 A 51 ARG HB2 1.0 0.0 2.61 274 212 A 51 ARG HG3 A 51 ARG HB3 1.0 0.0 2.61 275 213 A 31 ALA H A 30 GLN HB2 1.0 0.0 4.42 276 213 A 31 ALA H A 30 GLN HB3 1.0 0.0 4.42 277 214 A 5 CYS HA A 3 LEU HG 1.0 0.0 5.50 278 215 A 26 ALA HB% A 3 LEU HG 1.0 0.0 4.25 279 216 A 3 LEU HDy% A 4 ARG H 1.0 0.0 4.78 280 217 A 3 LEU HDy% A 26 ALA HA 1.0 0.0 5.43 281 218 A 3 LEU HDy% A 16 PRO HBx 1.0 0.0 5.02 282 219 A 3 LEU HDy% A 16 PRO HBy 1.0 0.0 3.81 283 220 A 3 LEU HDy% A 14 VAL HGx% 1.0 0.0 2.66 284 221 A 3 LEU HDy% A 26 ALA HB% 1.0 0.0 4.07 285 222 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 3.39 286 223 A 26 ALA HB% A 19 VAL HGy% 1.0 0.0 3.57 287 224 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.95 288 225 A 3 LEU HA A 14 VAL HGx% 1.0 0.0 4.77 289 226 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 2.99 290 227 A 28 CYS HA A 14 VAL HGx% 1.0 0.0 3.43 291 228 A 26 ALA HB% A 6 GLY HAx 1.0 0.0 5.50 292 229 A 26 ALA HB% A 27 TYR HBx 1.0 0.0 5.50 293 230 A 26 ALA HB% A 14 VAL HGx% 1.0 0.0 3.52 294 231 A 26 ALA HB% A 3 LEU HDx% 1.0 0.0 3.38 295 232 A 26 ALA HB% A 19 VAL HGx% 1.0 0.0 3.57 296 233 A 26 ALA HB% A 3 LEU HA 1.0 0.0 5.50 297 234 A 26 ALA HB% A 25 GLU HG2 1.0 0.0 5.28 298 234 A 26 ALA HB% A 25 GLU HG3 1.0 0.0 5.28 299 235 A 19 VAL H A 19 VAL HGx% 1.0 0.0 3.94 300 236 A 28 CYS HBy A 14 VAL HGy% 1.0 0.0 3.45 301 237 A 26 ALA HB% A 14 VAL HGy% 1.0 0.0 3.74 302 238 A 27 TYR HA A 14 VAL HGy% 1.0 0.0 4.03 303 239 A 5 CYS HA A 14 VAL HGy% 1.0 0.0 3.02 304 240 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.31 305 241 A 14 VAL HGy% A 5 CYS HB2 1.0 0.0 3.41 306 241 A 14 VAL HGy% A 5 CYS HB3 1.0 0.0 3.41 307 242 A 14 VAL HGy% A 3 LEU HG 1.0 0.0 4.21 308 243 A 33 ALA HB% A 22 HIS HA 1.0 0.0 4.85 309 244 A 33 ALA HB% A 27 TYR HE% 1.0 0.0 4.39 310 245 A 33 ALA HB% A 21 ASN H 1.0 0.0 5.01 311 246 A 33 ALA HB% A 20 PHE HA 1.0 0.0 5.04 312 247 A 44 ALA HB% A 45 PRO HA 1.0 0.0 4.69 313 248 A 44 ALA HB% A 12 CYS H 1.0 0.0 4.84 314 249 A 44 ALA HB% A 45 PRO HG2 1.0 0.0 3.80 315 249 A 44 ALA HB% A 45 PRO HG3 1.0 0.0 3.80 316 250 A 31 ALA HB% A 29 SER HB2 1.0 0.0 4.40 317 250 A 29 SER HB3 A 31 ALA HB% 1.0 0.0 4.40 318 251 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 4.44 319 252 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 4.44 320 253 A 33 ALA HB% A 31 ALA HA 1.0 0.0 5.20 321 254 A 33 ALA HB% A 27 TYR HD% 1.0 0.0 3.70 322 255 A 27 TYR HBy A 33 ALA HB% 1.0 0.0 3.28 323 256 A 31 ALA HB% A 42 CYS HA 1.0 0.0 3.63 324 257 A 31 ALA HB% A 42 CYS HBy 1.0 0.0 4.38 325 258 A 11 HIS H A 11 HIS HD2 1.0 0.0 5.50 326 259 A 6 GLY H A 7 CYS H 1.0 0.0 3.45 327 260 A 27 TYR HD% A 7 CYS H 1.0 0.0 3.11 328 261 A 27 TYR HA A 7 CYS H 1.0 0.0 4.52 329 262 A 8 PRO HDy A 7 CYS H 1.0 0.0 5.06 330 263 A 6 GLY HAy A 7 CYS H 1.0 0.0 2.82 331 264 A 32 CYS HBy A 7 CYS H 1.0 0.0 4.40 332 265 A 7 CYS HBx A 7 CYS H 1.0 0.0 2.77 333 266 A 15 ASP H A 18 ARG HD2 1.0 0.0 5.50 334 266 A 15 ASP H A 18 ARG HD3 1.0 0.0 5.50 335 267 A 27 TYR HE% A 7 CYS H 1.0 0.0 3.89 336 268 A 7 CYS H A 25 GLU HG2 1.0 0.0 5.50 337 268 A 25 GLU HG3 A 7 CYS H 1.0 0.0 5.50 338 269 A 28 CYS HA A 15 ASP H 1.0 0.0 4.01 339 270 A 15 ASP H A 14 VAL HB 1.0 0.0 4.10 340 271 A 15 ASP H A 18 ARG H 1.0 0.0 5.04 341 272 A 14 VAL HA A 15 ASP H 1.0 0.0 2.54 342 273 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.29 343 274 A 15 ASP H A 15 ASP HBx 1.0 0.0 2.98 344 275 A 15 ASP H A 14 VAL HGx% 1.0 0.0 3.19 345 276 A 14 VAL HGy% A 15 ASP H 1.0 0.0 3.91 346 277 A 12 CYS HA A 13 LYS H 1.0 0.0 2.68 347 278 A 13 LYS H A 12 CYS HBx 1.0 0.0 4.71 348 279 A 13 LYS H A 13 LYS HGx 1.0 0.0 3.76 349 280 A 13 LYS H A 13 LYS HGy 1.0 0.0 3.76 350 281 A 14 VAL HGy% A 13 LYS H 1.0 0.0 5.50 351 282 A 19 VAL H A 20 PHE H 1.0 0.0 4.85 352 283 A 20 PHE H A 27 TYR HBx 1.0 0.0 5.17 353 284 A 20 PHE H A 27 TYR H 1.0 0.0 3.86 354 285 A 20 PHE H A 20 PHE HDx 1.0 0.0 3.79 355 286 A 19 VAL HA A 20 PHE H 1.0 0.0 2.67 356 287 A 20 PHE H A 20 PHE HBy 1.0 0.0 3.54 357 288 A 20 PHE H A 20 PHE HBx 1.0 0.0 3.19 358 289 A 20 PHE H A 19 VAL HB 1.0 0.0 4.17 359 290 A 5 CYS H A 12 CYS H 1.0 0.0 4.45 360 291 A 12 CYS H A 11 HIS H 1.0 0.0 4.90 361 292 A 12 CYS HBx A 12 CYS H 1.0 0.0 3.16 362 293 A 27 TYR HA A 26 ALA H 1.0 0.0 5.43 363 294 A 25 GLU HA A 26 ALA H 1.0 0.0 2.62 364 295 A 50 GLU H A 50 GLU HGx 1.0 0.0 5.50 365 296 A 50 GLU H A 51 ARG HB2 1.0 0.0 5.50 366 296 A 51 ARG HB3 A 50 GLU H 1.0 0.0 5.50 367 297 A 21 ASN HA A 26 ALA H 1.0 0.0 5.50 368 298 A 26 ALA H A 25 GLU HG2 1.0 0.0 3.22 369 298 A 25 GLU HG3 A 26 ALA H 1.0 0.0 3.22 370 299 A 26 ALA H A 25 GLU HBy 1.0 0.0 3.40 371 300 A 26 ALA HB% A 26 ALA H 1.0 0.0 2.76 372 301 A 50 GLU H A 50 GLU HGy 1.0 0.0 5.50 373 302 A 4 ARG HA A 5 CYS H 1.0 0.0 2.69 374 303 A 5 CYS H A 5 CYS HB2 1.0 0.0 2.63 375 303 A 5 CYS HB3 A 5 CYS H 1.0 0.0 2.63 376 304 A 28 CYS HBy A 5 CYS H 1.0 0.0 5.11 377 305 A 5 CYS H A 4 ARG HBy 1.0 0.0 4.02 378 306 A 5 CYS H A 4 ARG HBx 1.0 0.0 4.02 379 307 A 14 VAL HGy% A 5 CYS H 1.0 0.0 3.38 380 308 A 5 CYS H A 28 CYS H 1.0 0.0 5.23 381 309 A 27 TYR HA A 5 CYS H 1.0 0.0 5.48 382 310 A 5 CYS H A 6 GLY H 1.0 0.0 4.65 383 311 A 5 CYS H A 14 VAL H 1.0 0.0 4.97 384 312 A 12 CYS HBy A 44 ALA H 1.0 0.0 5.40 385 313 A 44 ALA HB% A 44 ALA H 1.0 0.0 3.01 386 314 A 4 ARG HA A 14 VAL H 1.0 0.0 4.05 387 315 A 42 CYS HBx A 44 ALA H 1.0 0.0 5.26 388 316 A 43 PRO HDy A 44 ALA H 1.0 0.0 5.50 389 317 A 43 PRO HDx A 44 ALA H 1.0 0.0 4.90 390 318 A 33 ALA H A 34 GLU HA 1.0 0.0 5.50 391 319 A 35 GLN HA A 33 ALA H 1.0 0.0 5.50 392 320 A 33 ALA H A 34 GLU HBx 1.0 0.0 5.50 393 321 A 27 TYR HBy A 33 ALA H 1.0 0.0 3.64 394 322 A 33 ALA H A 32 CYS HBx 1.0 0.0 3.62 395 323 A 33 ALA H A 33 ALA HB% 1.0 0.0 2.75 396 324 A 13 LYS HA A 14 VAL H 1.0 0.0 2.47 397 325 A 14 VAL H A 14 VAL HB 1.0 0.0 2.75 398 326 A 14 VAL HGy% A 14 VAL H 1.0 0.0 3.00 399 327 A 36 HIS HD2 A 33 ALA H 1.0 0.0 5.50 400 328 A 14 VAL H A 5 CYS HB2 1.0 0.0 5.25 401 328 A 5 CYS HB3 A 14 VAL H 1.0 0.0 5.25 402 329 A 13 LYS H A 14 VAL H 1.0 0.0 4.70 403 330 A 4 ARG H A 3 LEU H 1.0 0.0 5.07 404 331 A 3 LEU HG A 3 LEU H 1.0 0.0 4.75 405 332 A 31 ALA H A 30 GLN H 1.0 0.0 5.50 406 333 A 5 CYS HA A 4 ARG H 1.0 0.0 5.19 407 334 A 4 ARG H A 4 ARG HBx 1.0 0.0 4.07 408 335 A 4 ARG H A 3 LEU HG 1.0 0.0 3.54 409 336 A 4 ARG H A 3 LEU HDx% 1.0 0.0 3.85 410 337 A 4 ARG H A 4 ARG HD2 1.0 0.0 4.75 411 337 A 4 ARG H A 4 ARG HD3 1.0 0.0 4.75 412 338 A 4 ARG H A 5 CYS H 1.0 0.0 4.54 413 339 A 4 ARG H A 4 ARG HBy 1.0 0.0 4.07 414 340 A 14 VAL HGy% A 4 ARG H 1.0 0.0 5.03 415 341 A 44 ALA H A 47 CYS H 1.0 0.0 5.05 416 342 A 51 ARG HA A 52 SER H 1.0 0.0 2.72 417 343 A 52 SER H A 52 SER HB2 1.0 0.0 3.35 418 343 A 52 SER H A 52 SER HB3 1.0 0.0 3.35 419 344 A 52 SER H A 51 ARG HB2 1.0 0.0 3.34 420 344 A 51 ARG HB3 A 52 SER H 1.0 0.0 3.34 421 345 A 52 SER H A 51 ARG HG2 1.0 0.0 4.33 422 345 A 51 ARG HG3 A 52 SER H 1.0 0.0 4.33 423 346 A 47 CYS H A 47 CYS HB2 1.0 0.0 3.31 424 346 A 47 CYS H A 47 CYS HB3 1.0 0.0 3.31 425 347 A 47 CYS H A 45 PRO HG2 1.0 0.0 4.60 426 347 A 45 PRO HG3 A 47 CYS H 1.0 0.0 4.60 427 348 A 44 ALA HB% A 47 CYS H 1.0 0.0 3.46 428 349 A 44 ALA HA A 47 CYS H 1.0 0.0 5.50 429 350 A 51 ARG H A 50 GLU HBx 1.0 0.0 5.21 430 351 A 19 VAL H A 18 ARG H 1.0 0.0 3.12 431 352 A 15 ASP HA A 18 ARG H 1.0 0.0 4.27 432 353 A 16 PRO HA A 18 ARG H 1.0 0.0 4.28 433 354 A 19 VAL HA A 18 ARG H 1.0 0.0 4.75 434 355 A 18 ARG H A 17 GLU HBy 1.0 0.0 3.77 435 356 A 51 ARG H A 50 GLU H 1.0 0.0 3.33 436 357 A 51 ARG H A 51 ARG HB2 1.0 0.0 2.83 437 357 A 51 ARG H A 51 ARG HB3 1.0 0.0 2.83 438 358 A 51 ARG H A 51 ARG HG2 1.0 0.0 3.03 439 358 A 51 ARG H A 51 ARG HG3 1.0 0.0 3.03 440 359 A 51 ARG H A 50 GLU HBy 1.0 0.0 5.21 441 360 A 18 ARG H A 18 ARG HD2 1.0 0.0 5.18 442 360 A 18 ARG HD3 A 18 ARG H 1.0 0.0 5.18 443 361 A 15 ASP HBy A 18 ARG H 1.0 0.0 3.48 444 362 A 15 ASP HBx A 18 ARG H 1.0 0.0 4.67 445 363 A 51 ARG H A 52 SER H 1.0 0.0 4.71 446 364 A 51 ARG H A 50 GLU HGy 1.0 0.0 5.32 447 365 A 19 VAL H A 18 ARG HA 1.0 0.0 2.79 448 366 A 19 VAL H A 19 VAL HB 1.0 0.0 3.32 449 367 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.94 450 368 A 19 VAL H A 18 ARG HD2 1.0 0.0 5.50 451 368 A 19 VAL H A 18 ARG HD3 1.0 0.0 5.50 452 369 A 19 VAL H A 17 GLU H 1.0 0.0 5.24 453 370 A 25 GLU H A 25 GLU HBx 1.0 0.0 2.91 454 371 A 25 GLU H A 26 ALA H 1.0 0.0 4.64 455 372 A 25 GLU H A 27 TYR HE% 1.0 0.0 4.26 456 373 A 8 PRO HA A 10 CYS H 1.0 0.0 3.94 457 374 A 10 CYS H A 10 CYS HBy 1.0 0.0 3.52 458 375 A 10 CYS H A 10 CYS HBx 1.0 0.0 3.52 459 376 A 28 CYS HBy A 28 CYS H 1.0 0.0 2.94 460 377 A 8 PRO HBx A 10 CYS H 1.0 0.0 5.50 461 378 A 9 ASP H A 10 CYS H 1.0 0.0 3.18 462 379 A 29 SER H A 28 CYS H 1.0 0.0 3.02 463 380 A 27 TYR HA A 28 CYS H 1.0 0.0 2.74 464 381 A 5 CYS HA A 28 CYS H 1.0 0.0 3.50 465 382 A 28 CYS HBx A 28 CYS H 1.0 0.0 3.87 466 383 A 27 TYR HBy A 28 CYS H 1.0 0.0 2.96 467 384 A 14 VAL HGy% A 28 CYS H 1.0 0.0 3.54 468 385 A 33 ALA H A 31 ALA H 1.0 0.0 5.12 469 386 A 32 CYS H A 31 ALA H 1.0 0.0 3.33 470 387 A 31 ALA H A 29 SER HB2 1.0 0.0 3.23 471 387 A 29 SER HB3 A 31 ALA H 1.0 0.0 3.23 472 388 A 31 ALA H A 30 GLN HG2 1.0 0.0 3.99 473 388 A 30 GLN HG3 A 31 ALA H 1.0 0.0 3.99 474 389 A 31 ALA HB% A 31 ALA H 1.0 0.0 2.58 475 390 A 31 ALA H A 30 GLN HE21 1.0 0.0 3.46 476 391 A 31 ALA H A 43 PRO HDx 1.0 0.0 5.08 477 392 A 27 TYR H A 28 CYS H 1.0 0.0 5.11 478 393 A 27 TYR H A 19 VAL HB 1.0 0.0 4.66 479 394 A 27 TYR HD% A 27 TYR H 1.0 0.0 3.29 480 395 A 27 TYR HE% A 27 TYR H 1.0 0.0 5.50 481 396 A 27 TYR H A 26 ALA HA 1.0 0.0 2.62 482 397 A 27 TYR HBx A 27 TYR H 1.0 0.0 3.12 483 398 A 26 ALA HB% A 27 TYR H 1.0 0.0 3.31 484 399 A 38 ASN HD21 A 39 GLY H 1.0 0.0 5.50 485 400 A 18 ARG HGy A 17 GLU H 1.0 0.0 4.96 486 401 A 38 ASN HA A 38 ASN HD21 1.0 0.0 3.66 487 402 A 38 ASN HA A 38 ASN HD22 1.0 0.0 3.42 488 403 A 28 CYS H A 6 GLY H 1.0 0.0 4.00 489 404 A 27 TYR HD% A 6 GLY H 1.0 0.0 3.68 490 405 A 27 TYR HA A 6 GLY H 1.0 0.0 2.94 491 406 A 5 CYS HA A 6 GLY H 1.0 0.0 2.67 492 407 A 6 GLY HAy A 6 GLY H 1.0 0.0 2.87 493 408 A 26 ALA HB% A 6 GLY H 1.0 0.0 4.64 494 409 A 27 TYR HE% A 6 GLY H 1.0 0.0 4.36 495 410 A 6 GLY H A 14 VAL HGx% 1.0 0.0 5.50 496 411 A 14 VAL HGy% A 6 GLY H 1.0 0.0 4.15 497 412 A 17 GLU H A 18 ARG H 1.0 0.0 2.80 498 413 A 7 CYS HBy A 9 ASP H 1.0 0.0 3.51 499 414 A 17 GLU H A 17 GLU HBy 1.0 0.0 2.86 500 415 A 33 ALA HA A 6 GLY H 1.0 0.0 5.41 501 416 A 17 GLU H A 15 ASP HBy 1.0 0.0 3.67 502 417 A 17 GLU H A 16 PRO HBx 1.0 0.0 3.66 503 418 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.25 504 419 A 46 ASP H A 46 ASP HBy 1.0 0.0 4.04 505 420 A 46 ASP H A 47 CYS H 1.0 0.0 3.58 506 421 A 46 ASP H A 45 PRO HDx 1.0 0.0 4.88 507 422 A 46 ASP H A 46 ASP HBx 1.0 0.0 4.04 508 423 A 44 ALA HB% A 46 ASP H 1.0 0.0 4.02 509 424 A 32 CYS H A 28 CYS H 1.0 0.0 5.50 510 425 A 32 CYS H A 33 ALA H 1.0 0.0 3.05 511 426 A 32 CYS H A 29 SER HB2 1.0 0.0 4.30 512 426 A 29 SER HB3 A 32 CYS H 1.0 0.0 4.30 513 427 A 32 CYS H A 32 CYS HBy 1.0 0.0 3.63 514 428 A 32 CYS H A 32 CYS HBx 1.0 0.0 2.71 515 429 A 31 ALA HB% A 32 CYS H 1.0 0.0 2.94 516 430 A 32 CYS H A 33 ALA HB% 1.0 0.0 4.52 517 431 A 36 HIS H A 32 CYS H 1.0 0.0 5.10 518 432 A 36 HIS H A 35 GLN H 1.0 0.0 3.09 519 433 A 35 GLN HA A 35 GLN H 1.0 0.0 2.45 520 434 A 31 ALA HA A 35 GLN H 1.0 0.0 5.20 521 435 A 32 CYS HA A 35 GLN H 1.0 0.0 3.64 522 436 A 32 CYS HBx A 35 GLN H 1.0 0.0 5.50 523 437 A 34 GLU HBx A 35 GLN H 1.0 0.0 4.23 524 438 A 33 ALA HB% A 35 GLN H 1.0 0.0 4.48 525 439 A 34 GLU H A 31 ALA HA 1.0 0.0 4.21 526 440 A 27 TYR HE% A 34 GLU H 1.0 0.0 5.50 527 441 A 30 GLN HA A 34 GLU H 1.0 0.0 4.38 528 442 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.23 529 443 A 34 GLU H A 34 GLU HBy 1.0 0.0 3.76 530 444 A 34 GLU H A 34 GLU HBx 1.0 0.0 2.85 531 445 A 33 ALA HB% A 34 GLU H 1.0 0.0 3.01 532 446 A 36 HIS H A 34 GLU H 1.0 0.0 4.14 533 447 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 4.09 534 447 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 4.09 535 448 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 3.30 536 448 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 3.30 537 449 A 30 GLN HA A 30 GLN HE21 1.0 0.0 5.50 538 450 A 29 SER H A 30 GLN H 1.0 0.0 5.50 539 451 A 29 SER H A 20 PHE H 1.0 0.0 5.44 540 452 A 29 SER H A 14 VAL HGy% 1.0 0.0 5.18 541 453 A 31 ALA HB% A 36 HIS H 1.0 0.0 4.61 542 454 A 36 HIS H A 37 PRO HDy 1.0 0.0 4.11 543 455 A 29 SER H A 27 TYR HA 1.0 0.0 4.32 544 456 A 29 SER H A 27 TYR HBy 1.0 0.0 3.10 545 457 A 29 SER H A 33 ALA HB% 1.0 0.0 4.70 546 458 A 29 SER H A 27 TYR H 1.0 0.0 5.47 547 459 A 36 HIS H A 34 GLU HBx 1.0 0.0 4.39 548 460 A 40 GLU HA A 39 GLY H 1.0 0.0 4.88 549 461 A 37 PRO HGx A 39 GLY H 1.0 0.0 5.50 550 462 A 22 HIS HA A 24 GLY H 1.0 0.0 3.66 551 463 A 25 GLU H A 24 GLY H 1.0 0.0 5.02 552 464 A 42 CYS HBy A 36 HIS HE1 1.0 0.0 2.77 553 465 A 31 ALA HB% A 36 HIS HE1 1.0 0.0 3.08 554 466 A 32 CYS HA A 27 TYR HD% 1.0 0.0 4.43 555 467 A 5 CYS HA A 27 TYR HD% 1.0 0.0 4.36 556 468 A 33 ALA HA A 27 TYR HD% 1.0 0.0 3.62 557 469 A 7 CYS HA A 27 TYR HD% 1.0 0.0 4.93 558 470 A 27 TYR HD% A 22 HIS HD2 1.0 0.0 5.07 559 471 A 27 TYR HD% A 32 CYS HBy 1.0 0.0 3.18 560 472 A 27 TYR HD% A 32 CYS HBx 1.0 0.0 3.97 561 473 A 27 TYR HD% A 6 GLY HAy 1.0 0.0 4.05 562 474 A 27 TYR HA A 27 TYR HD% 1.0 0.0 3.48 563 475 A 20 PHE HDx A 29 SER HA 1.0 0.0 4.00 564 476 A 20 PHE HDx A 30 GLN HB2 1.0 0.0 4.77 565 476 A 20 PHE HDx A 30 GLN HB3 1.0 0.0 4.77 566 477 A 20 PHE HE% A 20 PHE HDx 1.0 0.0 2.55 567 478 A 30 GLN HA A 20 PHE HDx 1.0 0.0 4.35 568 479 A 20 PHE HE% A 30 GLN HB2 1.0 0.0 4.22 569 479 A 20 PHE HE% A 30 GLN HB3 1.0 0.0 4.22 570 480 A 20 PHE HE% A 29 SER HA 1.0 0.0 4.40 571 481 A 36 HIS HD2 A 35 GLN HA 1.0 0.0 3.66 572 482 A 36 HIS HD2 A 35 GLN H 1.0 0.0 4.49 573 483 A 36 HIS HD2 A 36 HIS H 1.0 0.0 4.17 574 484 A 48 HIS HD2 A 48 HIS HB2 1.0 0.0 3.70 575 484 A 48 HIS HB3 A 48 HIS HD2 1.0 0.0 3.70 576 485 A 22 HIS HA A 22 HIS HD2 1.0 0.0 4.55 577 486 A 27 TYR HE% A 22 HIS HD2 1.0 0.0 3.38 578 487 A 33 ALA HB% A 22 HIS HD2 1.0 0.0 4.91 579 488 A 22 HIS HA A 27 TYR HE% 1.0 0.0 4.70 580 489 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.68 581 490 A 14 VAL HB A 3 LEU HBx 1.0 0.0 4.16 582 490 A 14 VAL HB A 3 LEU HBy 1.0 0.0 4.16 583 491 A 26 ALA HB% A 3 LEU HBx 1.0 0.0 5.03 584 491 A 26 ALA HB% A 3 LEU HBy 1.0 0.0 5.03 585 492 A 3 LEU HG A 19 VAL HGy% 1.0 0.0 3.64 586 492 A 3 LEU HG A 19 VAL HGx% 1.0 0.0 3.64 587 493 A 4 ARG H A 4 ARG HBx 1.0 0.0 3.49 588 493 A 4 ARG H A 4 ARG HBy 1.0 0.0 3.49 589 494 A 4 ARG H A 4 ARG HGy 1.0 0.0 4.06 590 494 A 4 ARG H A 4 ARG HGx 1.0 0.0 4.06 591 495 A 4 ARG HA A 4 ARG HGy 1.0 0.0 3.61 592 495 A 4 ARG HA A 4 ARG HGx 1.0 0.0 3.61 593 496 A 4 ARG HBx A 4 ARG HD2 1.0 0.0 3.14 594 496 A 4 ARG HD3 A 4 ARG HBx 1.0 0.0 3.14 595 496 A 4 ARG HD3 A 4 ARG HBy 1.0 0.0 3.14 596 496 A 4 ARG HBy A 4 ARG HD2 1.0 0.0 3.14 597 497 A 5 CYS H A 4 ARG HBx 1.0 0.0 3.29 598 497 A 5 CYS H A 4 ARG HBy 1.0 0.0 3.29 599 498 A 4 ARG HBy A 5 CYS HB2 1.0 0.0 4.83 600 498 A 4 ARG HBx A 5 CYS HB2 1.0 0.0 4.83 601 498 A 5 CYS HB3 A 4 ARG HBx 1.0 0.0 4.83 602 498 A 5 CYS HB3 A 4 ARG HBy 1.0 0.0 4.83 603 499 A 5 CYS H A 4 ARG HGy 1.0 0.0 4.28 604 499 A 5 CYS H A 4 ARG HGx 1.0 0.0 4.28 605 500 A 7 CYS HA A 8 PRO HGx 1.0 0.0 4.42 606 500 A 7 CYS HA A 8 PRO HGy 1.0 0.0 4.42 607 501 A 7 CYS HBy A 10 CYS HBx 1.0 0.0 3.20 608 501 A 7 CYS HBy A 10 CYS HBy 1.0 0.0 3.20 609 502 A 9 ASP H A 8 PRO HGx 1.0 0.0 4.46 610 502 A 9 ASP H A 8 PRO HGy 1.0 0.0 4.46 611 503 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.29 612 503 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.29 613 504 A 9 ASP H A 10 CYS HBx 1.0 0.0 4.56 614 504 A 9 ASP H A 10 CYS HBy 1.0 0.0 4.56 615 505 A 10 CYS H A 9 ASP HBx 1.0 0.0 3.86 616 505 A 10 CYS H A 9 ASP HBy 1.0 0.0 3.86 617 506 A 10 CYS HBy A 48 HIS HB2 1.0 0.0 5.15 618 506 A 48 HIS HB3 A 10 CYS HBx 1.0 0.0 5.15 619 506 A 48 HIS HB3 A 10 CYS HBy 1.0 0.0 5.15 620 506 A 10 CYS HBx A 48 HIS HB2 1.0 0.0 5.15 621 507 A 13 LYS H A 13 LYS HBx 1.0 0.0 2.81 622 507 A 13 LYS H A 13 LYS HBy 1.0 0.0 2.81 623 508 A 13 LYS HBy A 13 LYS HE2 1.0 0.0 4.88 624 508 A 13 LYS HBx A 13 LYS HE2 1.0 0.0 4.88 625 508 A 13 LYS HE3 A 13 LYS HBx 1.0 0.0 4.88 626 508 A 13 LYS HE3 A 13 LYS HBy 1.0 0.0 4.88 627 509 A 14 VAL H A 13 LYS HGy 1.0 0.0 4.71 628 509 A 14 VAL H A 13 LYS HGx 1.0 0.0 4.71 629 510 A 14 VAL HGx% A 19 VAL HGy% 1.0 0.0 3.57 630 510 A 14 VAL HGx% A 19 VAL HGx% 1.0 0.0 3.57 631 511 A 15 ASP H A 18 ARG HBx 1.0 0.0 4.80 632 511 A 15 ASP H A 18 ARG HBy 1.0 0.0 4.80 633 512 A 15 ASP HBx A 18 ARG HBx 1.0 0.0 4.52 634 512 A 15 ASP HBx A 18 ARG HBy 1.0 0.0 4.52 635 513 A 15 ASP HBx A 19 VAL HGy% 1.0 0.0 5.44 636 513 A 15 ASP HBx A 19 VAL HGx% 1.0 0.0 5.44 637 514 A 15 ASP HBy A 18 ARG HBx 1.0 0.0 3.91 638 514 A 15 ASP HBy A 18 ARG HBy 1.0 0.0 3.91 639 515 A 15 ASP HBy A 19 VAL HGy% 1.0 0.0 4.69 640 515 A 15 ASP HBy A 19 VAL HGx% 1.0 0.0 4.69 641 516 A 16 PRO HA A 19 VAL HGy% 1.0 0.0 3.38 642 516 A 16 PRO HA A 19 VAL HGx% 1.0 0.0 3.38 643 517 A 17 GLU H A 17 GLU HGx 1.0 0.0 4.40 644 517 A 17 GLU H A 17 GLU HGy 1.0 0.0 4.40 645 518 A 17 GLU H A 19 VAL HGy% 1.0 0.0 4.47 646 518 A 17 GLU H A 19 VAL HGx% 1.0 0.0 4.47 647 519 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.30 648 519 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.30 649 520 A 17 GLU HA A 19 VAL HGy% 1.0 0.0 4.28 650 520 A 17 GLU HA A 19 VAL HGx% 1.0 0.0 4.28 651 521 A 17 GLU HGy A 18 ARG HBx 1.0 0.0 5.18 652 521 A 17 GLU HGx A 18 ARG HBx 1.0 0.0 5.18 653 521 A 18 ARG HBy A 17 GLU HGx 1.0 0.0 5.18 654 521 A 18 ARG HBy A 17 GLU HGy 1.0 0.0 5.18 655 522 A 18 ARG HGx A 17 GLU HGx 1.0 0.0 4.73 656 522 A 17 GLU HGy A 18 ARG HGx 1.0 0.0 4.73 657 523 A 17 GLU HGx A 18 ARG HD2 1.0 0.0 4.56 658 523 A 17 GLU HGy A 18 ARG HD2 1.0 0.0 4.56 659 523 A 18 ARG HD3 A 17 GLU HGx 1.0 0.0 4.56 660 523 A 18 ARG HD3 A 17 GLU HGy 1.0 0.0 4.56 661 524 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.59 662 524 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.59 663 525 A 18 ARG H A 19 VAL HGy% 1.0 0.0 3.83 664 525 A 18 ARG H A 19 VAL HGx% 1.0 0.0 3.83 665 526 A 18 ARG HBx A 18 ARG HD2 1.0 0.0 3.55 666 526 A 18 ARG HBy A 18 ARG HD2 1.0 0.0 3.55 667 526 A 18 ARG HD3 A 18 ARG HBx 1.0 0.0 3.55 668 526 A 18 ARG HD3 A 18 ARG HBy 1.0 0.0 3.55 669 527 A 19 VAL HA A 18 ARG HBx 1.0 0.0 4.75 670 527 A 19 VAL HA A 18 ARG HBy 1.0 0.0 4.75 671 528 A 19 VAL H A 19 VAL HGy% 1.0 0.0 2.80 672 528 A 19 VAL H A 19 VAL HGx% 1.0 0.0 2.80 673 529 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 2.88 674 529 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 2.88 675 530 A 20 PHE H A 19 VAL HGy% 1.0 0.0 3.21 676 530 A 20 PHE H A 19 VAL HGx% 1.0 0.0 3.21 677 531 A 20 PHE HA A 19 VAL HGy% 1.0 0.0 3.92 678 531 A 20 PHE HA A 19 VAL HGx% 1.0 0.0 3.92 679 532 A 20 PHE HBy A 19 VAL HGy% 1.0 0.0 4.72 680 532 A 20 PHE HBy A 19 VAL HGx% 1.0 0.0 4.72 681 533 A 21 ASN HA A 19 VAL HGy% 1.0 0.0 4.78 682 533 A 21 ASN HA A 19 VAL HGx% 1.0 0.0 4.78 683 534 A 19 VAL HGx% A 21 ASN HBx 1.0 0.0 4.75 684 534 A 19 VAL HGy% A 21 ASN HBx 1.0 0.0 4.75 685 534 A 21 ASN HBy A 19 VAL HGy% 1.0 0.0 4.75 686 534 A 19 VAL HGx% A 21 ASN HBy 1.0 0.0 4.75 687 535 A 26 ALA HA A 19 VAL HGy% 1.0 0.0 3.77 688 535 A 26 ALA HA A 19 VAL HGx% 1.0 0.0 3.77 689 536 A 27 TYR H A 19 VAL HGy% 1.0 0.0 3.62 690 536 A 27 TYR H A 19 VAL HGx% 1.0 0.0 3.62 691 537 A 21 ASN HA A 22 HIS HBy 1.0 0.0 4.70 692 537 A 21 ASN HA A 22 HIS HBx 1.0 0.0 4.70 693 538 A 22 HIS HA A 21 ASN HBx 1.0 0.0 5.00 694 538 A 22 HIS HA A 21 ASN HBy 1.0 0.0 5.00 695 539 A 26 ALA HA A 21 ASN HBx 1.0 0.0 5.20 696 539 A 26 ALA HA A 21 ASN HBy 1.0 0.0 5.20 697 540 A 22 HIS HA A 21 ASN HD22 1.0 0.0 3.30 698 540 A 22 HIS HA A 21 ASN HD21 1.0 0.0 3.30 699 541 A 22 HIS HA A 23 ASP HBx 1.0 0.0 5.16 700 541 A 22 HIS HA A 23 ASP HBy 1.0 0.0 5.16 701 542 A 22 HIS HBy A 25 GLU HBy 1.0 0.0 5.17 702 542 A 25 GLU HBx A 22 HIS HBy 1.0 0.0 5.17 703 542 A 25 GLU HBx A 22 HIS HBx 1.0 0.0 5.17 704 542 A 22 HIS HBx A 25 GLU HBy 1.0 0.0 5.17 705 543 A 27 TYR HD% A 22 HIS HBy 1.0 0.0 3.94 706 543 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 3.94 707 544 A 27 TYR HE% A 22 HIS HBy 1.0 0.0 3.49 708 544 A 27 TYR HE% A 22 HIS HBx 1.0 0.0 3.49 709 545 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 3.46 710 545 A 33 ALA HB% A 22 HIS HBx 1.0 0.0 3.46 711 546 A 34 GLU HA A 22 HIS HBy 1.0 0.0 5.34 712 546 A 34 GLU HA A 22 HIS HBx 1.0 0.0 5.34 713 547 A 22 HIS HD2 A 23 ASP HBx 1.0 0.0 3.71 714 547 A 22 HIS HD2 A 23 ASP HBy 1.0 0.0 3.71 715 548 A 27 TYR HE% A 23 ASP HBx 1.0 0.0 4.49 716 548 A 27 TYR HE% A 23 ASP HBy 1.0 0.0 4.49 717 549 A 31 ALA HA A 40 GLU HBx 1.0 0.0 4.75 718 549 A 31 ALA HA A 40 GLU HBy 1.0 0.0 4.75 719 550 A 31 ALA HA A 40 GLU HGx 1.0 0.0 5.08 720 550 A 31 ALA HA A 40 GLU HGy 1.0 0.0 5.08 721 551 A 31 ALA HB% A 40 GLU HBx 1.0 0.0 3.56 722 551 A 31 ALA HB% A 40 GLU HBy 1.0 0.0 3.56 723 552 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 3.59 724 552 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 3.59 725 553 A 34 GLU H A 34 GLU HGx 1.0 0.0 3.46 726 553 A 34 GLU H A 34 GLU HGy 1.0 0.0 3.46 727 554 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.09 728 554 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.09 729 555 A 34 GLU HBx A 37 PRO HDy 1.0 0.0 3.51 730 555 A 34 GLU HBx A 37 PRO HDx 1.0 0.0 3.51 731 556 A 34 GLU HBy A 37 PRO HDy 1.0 0.0 3.21 732 556 A 34 GLU HBy A 37 PRO HDx 1.0 0.0 3.21 733 557 A 35 GLN H A 34 GLU HGx 1.0 0.0 4.75 734 557 A 35 GLN H A 34 GLU HGy 1.0 0.0 4.75 735 558 A 35 GLN H A 35 GLN HGx 1.0 0.0 3.42 736 558 A 35 GLN H A 35 GLN HGy 1.0 0.0 3.42 737 559 A 35 GLN HA A 35 GLN HE22 1.0 0.0 4.75 738 559 A 35 GLN HA A 35 GLN HE21 1.0 0.0 4.75 739 560 A 35 GLN HBy A 35 GLN HE22 1.0 0.0 4.26 740 560 A 35 GLN HE21 A 35 GLN HBx 1.0 0.0 4.26 741 560 A 35 GLN HE21 A 35 GLN HBy 1.0 0.0 4.26 742 560 A 35 GLN HBx A 35 GLN HE22 1.0 0.0 4.26 743 561 A 36 HIS H A 37 PRO HDy 1.0 0.0 3.40 744 561 A 36 HIS H A 37 PRO HDx 1.0 0.0 3.40 745 562 A 36 HIS HA A 37 PRO HDy 1.0 0.0 3.22 746 562 A 36 HIS HA A 37 PRO HDx 1.0 0.0 3.22 747 563 A 36 HIS HA A 40 GLU HBx 1.0 0.0 5.34 748 563 A 36 HIS HA A 40 GLU HBy 1.0 0.0 5.34 749 564 A 36 HIS HA A 40 GLU HGx 1.0 0.0 5.34 750 564 A 36 HIS HA A 40 GLU HGy 1.0 0.0 5.34 751 565 A 39 GLY H A 36 HIS HBx 1.0 0.0 4.33 752 565 A 39 GLY H A 36 HIS HBy 1.0 0.0 4.33 753 566 A 39 GLY HAx A 36 HIS HBx 1.0 0.0 4.06 754 566 A 39 GLY HAx A 36 HIS HBy 1.0 0.0 4.06 755 567 A 37 PRO HDx A 40 GLU HBx 1.0 0.0 5.16 756 567 A 37 PRO HDy A 40 GLU HBx 1.0 0.0 5.16 757 567 A 40 GLU HBy A 37 PRO HDy 1.0 0.0 5.16 758 567 A 40 GLU HBy A 37 PRO HDx 1.0 0.0 5.16 759 568 A 40 GLU HA A 40 GLU HGx 1.0 0.0 3.52 760 568 A 40 GLU HA A 40 GLU HGy 1.0 0.0 3.52 761 569 A 40 GLU HA A 41 PRO HGx 1.0 0.0 5.05 762 569 A 40 GLU HA A 41 PRO HGy 1.0 0.0 5.05 763 570 A 44 ALA H A 43 PRO HBx 1.0 0.0 4.10 764 570 A 44 ALA H A 43 PRO HBy 1.0 0.0 4.10 765 571 A 44 ALA H A 45 PRO HDy 1.0 0.0 4.75 766 571 A 44 ALA H A 45 PRO HDx 1.0 0.0 4.75 767 572 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 3.50 768 572 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 3.50 769 573 A 45 PRO HBx A 46 ASP HBx 1.0 0.0 4.25 770 573 A 45 PRO HBx A 46 ASP HBy 1.0 0.0 4.25 771 574 A 46 ASP H A 45 PRO HDy 1.0 0.0 4.05 772 574 A 46 ASP H A 45 PRO HDx 1.0 0.0 4.05 773 575 A 49 CYS HA A 50 GLU HBy 1.0 0.0 4.90 774 575 A 49 CYS HA A 50 GLU HBx 1.0 0.0 4.90 775 576 A 51 ARG H A 50 GLU HBy 1.0 0.0 4.40 776 576 A 51 ARG H A 50 GLU HBx 1.0 0.0 4.40 777 577 A 51 ARG H A 50 GLU HGx 1.0 0.0 4.46 778 577 A 51 ARG H A 50 GLU HGy 1.0 0.0 4.46 779 578 A 51 ARG H A 51 ARG HDy 1.0 0.0 4.66 780 578 A 51 ARG H A 51 ARG HDx 1.0 0.0 4.66 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 2 GLU C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -120.5 -49.5 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ARG N 1.0 109.9 158.5 PSI 3 3 A 3 LEU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -156.1 -92.1 PHI 4 4 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 115.0 169.4 PSI 5 5 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -87.5 -47.5 PHI 6 6 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 GLY N 1.0 117.9 158.9 PSI 7 7 A 6 GLY C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -144.8 -28.6 PHI 8 8 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 PRO N 1.0 85.5 185.3 PSI 9 9 A 8 PRO C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -108.7 -65.3 PHI 10 10 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 CYS N 1.0 -22.7 17.3 PSI 11 11 A 9 ASP C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -165.0 -55.0 PHI 12 12 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 HIS N 1.0 123.5 170.1 PSI 13 13 A 10 CYS C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -119.0 -73.0 PHI 14 14 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 CYS N 1.0 97.5 150.9 PSI 15 15 A 11 HIS C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -119.4 -37.4 PHI 16 16 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 LYS N 1.0 105.2 175.6 PSI 17 17 A 12 CYS C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -101.2 -55.0 PHI 18 18 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 VAL N 1.0 100.3 162.9 PSI 19 19 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -128.5 -54.7 PHI 20 20 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 109.7 149.7 PSI 21 21 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -133.5 -49.5 PHI 22 22 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 85.0 138.6 PSI 23 23 A 16 PRO C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -102.4 -62.4 PHI 24 24 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 -30.1 9.9 PSI 25 25 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -124.7 -62.3 PHI 26 26 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 PHE N 1.0 104.6 144.6 PSI 27 27 A 19 VAL C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -120.8 -75.4 PHI 28 28 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 ASN N 1.0 108.4 148.4 PSI 29 29 A 20 PHE C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -150.2 -83.2 PHI 30 30 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 105.6 161.0 PSI 31 31 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -166.1 -121.7 PHI 32 32 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASP N 1.0 109.5 149.5 PSI 33 33 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 33.5 73.5 PHI 34 34 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLY N 1.0 20.0 60.0 PSI 35 35 A 23 ASP C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 58.3 98.3 PHI 36 36 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 GLU N 1.0 -12.2 27.8 PSI 37 37 A 24 GLY C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -141.6 -97.4 PHI 38 38 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 126.9 166.9 PSI 39 39 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -128.3 -55.3 PHI 40 40 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 111.7 159.3 PSI 41 41 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -157.0 -105.0 PHI 42 42 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 119.3 171.9 PSI 43 43 A 27 TYR C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -127.3 -54.7 PHI 44 44 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 SER N 1.0 -43.0 10.2 PSI 45 45 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -176.2 -136.2 PHI 46 46 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 145.1 185.1 PSI 47 47 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -85.0 -45.0 PHI 48 48 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 ALA N 1.0 -54.9 -14.9 PSI 49 49 A 30 GLN C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -83.0 -43.0 PHI 50 50 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 CYS N 1.0 -59.0 -19.0 PSI 51 51 A 31 ALA C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -85.2 -45.2 PHI 52 52 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ALA N 1.0 -57.2 -17.2 PSI 53 53 A 32 CYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -84.3 -44.3 PHI 54 54 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 GLU N 1.0 -53.2 -13.2 PSI 55 55 A 33 ALA C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -112.4 -72.4 PHI 56 56 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLN N 1.0 -18.3 21.7 PSI 57 57 A 34 GLU C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 37.8 77.8 PHI 58 58 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 HIS N 1.0 20.0 60.0 PSI 59 59 A 37 PRO C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -135.3 -66.5 PHI 60 60 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 GLY N 1.0 -30.5 31.3 PSI 61 61 A 38 ASN C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 61.8 101.8 PHI 62 62 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 GLU N 1.0 -9.2 30.8 PSI 63 63 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -92.5 -52.5 PHI 64 64 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PRO N 1.0 115.6 166.0 PSI 65 65 A 41 PRO C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -154.6 -26.4 PHI 66 66 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 PRO N 1.0 114.3 166.5 PSI 67 67 A 43 PRO C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -132.5 -48.3 PHI 68 68 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PRO N 1.0 118.3 200.1 PSI 69 69 A 45 PRO C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -120.8 -80.8 PHI 70 70 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 CYS N 1.0 -8.5 31.5 PSI 71 71 A 50 GLU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -91.4 -47.6 PHI 72 72 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 SER N 1.0 120.7 160.7 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 . . 11.0332 . . . . 2 ppm . . 40 . . . . 3 ppm . . 20.0243 . . . . 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 . . 10.9607 . . . . 2 ppm . . 29.9767 . . . . 3 ppm . . 13.9767 . . . . 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 . . 11.0 . . . . 2 ppm . . 70.0 . . . . 3 ppm . . 20.0042 . . . . stop_ save_