data_nef_c34288_6gv6 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 6GV6 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 4 CD CD 1 7 CYS SG 2 1 CD CD 1 10 CYS SG 2 2 CD CD 1 10 CYS SG 2 3 CD CD 1 10 CYS SG 2 4 CD CD 1 12 CYS SG 2 3 CD CD 1 28 CYS SG 2 3 CD CD 1 28 CYS SG 2 4 CD CD 1 32 CYS SG 2 1 CD CD 1 32 CYS SG 2 4 CD CD 1 36 HIS NE2 2 1 CD CD 1 42 CYS SG 2 2 CD CD 1 42 CYS SG 2 3 CD CD 1 47 CYS SG 2 2 CD CD 1 49 CYS SG 2 1 CD CD 1 49 CYS SG 2 2 CD CD 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 CD . . . 54 B 2 CD . . . 55 B 3 CD . . . 56 B 4 CD . . . 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 3.812 0.020 A 1 ASN HBx H 1 2.550 0.020 A 1 ASN HBy H 1 2.665 0.020 A 1 ASN HD21 H 1 7.594 0.020 A 1 ASN HD22 H 1 6.862 0.020 A 1 ASN CA C 13 54.288 0.3 A 1 ASN CB C 13 41.796 0.3 A 1 ASN ND2 N 15 113.266 0.3 A 2 GLU HA H 1 4.288 0.020 A 2 GLU HBx H 1 1.871 0.020 A 2 GLU HBy H 1 1.958 0.020 A 2 GLU HG2 H 1 2.204 0.020 A 2 GLU HG3 H 1 2.204 0.020 A 2 GLU C C 13 175.762 0.3 A 2 GLU CA C 13 56.341 0.3 A 2 GLU CB C 13 30.837 0.3 A 2 GLU CG C 13 36.386 0.3 A 3 LEU H H 1 8.534 0.020 A 3 LEU HA H 1 4.307 0.020 A 3 LEU HB2 H 1 1.520 0.020 A 3 LEU HB3 H 1 1.520 0.020 A 3 LEU HDx% H 1 0.756 0.020 A 3 LEU HDy% H 1 0.824 0.020 A 3 LEU HG H 1 1.476 0.020 A 3 LEU C C 13 175.867 0.3 A 3 LEU CA C 13 54.463 0.3 A 3 LEU CB C 13 42.956 0.3 A 3 LEU CD1 C 13 23.920 0.3 A 3 LEU CD2 C 13 24.591 0.3 A 3 LEU CG C 13 26.828 0.3 A 3 LEU N N 15 124.235 0.3 A 4 ARG H H 1 8.291 0.020 A 4 ARG HA H 1 4.409 0.020 A 4 ARG HB2 H 1 1.735 0.020 A 4 ARG HB3 H 1 1.735 0.020 A 4 ARG HD2 H 1 3.129 0.020 A 4 ARG HD3 H 1 3.129 0.020 A 4 ARG HG2 H 1 1.561 0.020 A 4 ARG HG3 H 1 1.561 0.020 A 4 ARG C C 13 174.792 0.3 A 4 ARG CA C 13 54.836 0.3 A 4 ARG CB C 13 31.361 0.3 A 4 ARG CD C 13 43.258 0.3 A 4 ARG CG C 13 27.033 0.3 A 4 ARG N N 15 123.005 0.3 A 5 CYS H H 1 8.336 0.020 A 5 CYS HA H 1 3.812 0.020 A 5 CYS HBx H 1 2.867 0.020 A 5 CYS HBy H 1 3.038 0.020 A 5 CYS C C 13 174.865 0.3 A 5 CYS CA C 13 60.843 0.3 A 5 CYS CB C 13 29.488 0.3 A 5 CYS N N 15 122.841 0.3 A 6 GLY H H 1 8.374 0.020 A 6 GLY HAx H 1 3.046 0.020 A 6 GLY HAy H 1 3.882 0.020 A 6 GLY C C 13 174.076 0.3 A 6 GLY CA C 13 46.645 0.3 A 6 GLY N N 15 114.967 0.3 A 7 CYS H H 1 8.591 0.020 A 7 CYS HA H 1 5.078 0.020 A 7 CYS HBx H 1 3.133 0.020 A 7 CYS HBy H 1 3.650 0.020 A 7 CYS C C 13 175.222 0.3 A 7 CYS CA C 13 57.161 0.3 A 7 CYS CB C 13 30.029 0.3 A 7 CYS N N 15 127.689 0.3 A 8 PRO HA H 1 4.315 0.020 A 8 PRO HBx H 1 1.995 0.020 A 8 PRO HBy H 1 2.372 0.020 A 8 PRO HDx H 1 3.773 0.020 A 8 PRO HDy H 1 3.942 0.020 A 8 PRO HG2 H 1 2.239 0.020 A 8 PRO HG3 H 1 2.239 0.020 A 8 PRO C C 13 177.086 0.3 A 8 PRO CA C 13 65.082 0.3 A 8 PRO CB C 13 32.332 0.3 A 8 PRO CD C 13 51.360 0.3 A 8 PRO CG C 13 27.501 0.3 A 9 ASP H H 1 7.445 0.020 A 9 ASP HA H 1 4.779 0.020 A 9 ASP HBx H 1 2.310 0.020 A 9 ASP HBy H 1 2.836 0.020 A 9 ASP C C 13 173.096 0.3 A 9 ASP CA C 13 54.206 0.3 A 9 ASP CB C 13 42.346 0.3 A 9 ASP N N 15 115.488 0.3 A 10 CYS H H 1 7.838 0.020 A 10 CYS HA H 1 4.052 0.020 A 10 CYS HBx H 1 3.293 0.020 A 10 CYS HBy H 1 3.493 0.020 A 10 CYS C C 13 173.999 0.3 A 10 CYS CA C 13 58.582 0.3 A 10 CYS CB C 13 32.337 0.3 A 10 CYS N N 15 122.033 0.3 A 11 HIS HA H 1 4.846 0.020 A 11 HIS HBx H 1 3.122 0.020 A 11 HIS HBy H 1 3.268 0.020 A 11 HIS HD2 H 1 7.043 0.020 A 11 HIS HE1 H 1 7.767 0.020 A 11 HIS C C 13 175.351 0.3 A 11 HIS CA C 13 55.778 0.3 A 11 HIS CB C 13 30.808 0.3 A 11 HIS CD2 C 13 119.109 0.3 A 11 HIS CE1 C 13 138.367 0.3 A 11 HIS ND1 N 15 223.938 0.3 A 11 HIS NE2 N 15 176.415 0.3 A 12 CYS H H 1 8.365 0.020 A 12 CYS HA H 1 3.987 0.020 A 12 CYS HBx H 1 2.751 0.020 A 12 CYS HBy H 1 3.191 0.020 A 12 CYS C C 13 175.207 0.3 A 12 CYS CA C 13 62.214 0.3 A 12 CYS CB C 13 31.232 0.3 A 12 CYS N N 15 122.592 0.3 A 13 LYS H H 1 8.568 0.020 A 13 LYS HA H 1 4.626 0.020 A 13 LYS HB2 H 1 1.692 0.020 A 13 LYS HB3 H 1 1.692 0.020 A 13 LYS HDx H 1 1.573 0.020 A 13 LYS HDy H 1 1.592 0.020 A 13 LYS HE2 H 1 2.957 0.020 A 13 LYS HE3 H 1 2.957 0.020 A 13 LYS HGx H 1 1.359 0.020 A 13 LYS HGy H 1 1.468 0.020 A 13 LYS C C 13 176.406 0.3 A 13 LYS CA C 13 55.061 0.3 A 13 LYS CB C 13 32.534 0.3 A 13 LYS CD C 13 28.792 0.3 A 13 LYS CE C 13 42.152 0.3 A 13 LYS CG C 13 24.998 0.3 A 13 LYS N N 15 122.308 0.3 A 14 VAL H H 1 8.371 0.020 A 14 VAL HA H 1 3.949 0.020 A 14 VAL HB H 1 1.680 0.020 A 14 VAL HGx% H 1 0.493 0.020 A 14 VAL HGy% H 1 0.691 0.020 A 14 VAL C C 13 174.820 0.3 A 14 VAL CA C 13 61.583 0.3 A 14 VAL CB C 13 32.771 0.3 A 14 VAL CG1 C 13 20.486 0.3 A 14 VAL CG2 C 13 21.898 0.3 A 14 VAL N N 15 121.952 0.3 A 15 ASP H H 1 8.753 0.020 A 15 ASP HA H 1 4.794 0.020 A 15 ASP HBx H 1 2.622 0.020 A 15 ASP HBy H 1 2.783 0.020 A 15 ASP C C 13 175.663 0.3 A 15 ASP CA C 13 51.280 0.3 A 15 ASP CB C 13 42.209 0.3 A 15 ASP N N 15 129.392 0.3 A 16 PRO HA H 1 4.092 0.020 A 16 PRO HBx H 1 1.968 0.020 A 16 PRO HBy H 1 2.299 0.020 A 16 PRO HDx H 1 3.862 0.020 A 16 PRO HDy H 1 3.926 0.020 A 16 PRO HGx H 1 2.033 0.020 A 16 PRO HGy H 1 2.238 0.020 A 16 PRO C C 13 178.016 0.3 A 16 PRO CA C 13 64.727 0.3 A 16 PRO CB C 13 32.209 0.3 A 16 PRO CD C 13 50.935 0.3 A 16 PRO CG C 13 27.548 0.3 A 17 GLU H H 1 8.555 0.020 A 17 GLU HA H 1 4.243 0.020 A 17 GLU HBx H 1 1.926 0.020 A 17 GLU HBy H 1 2.127 0.020 A 17 GLU HGx H 1 2.203 0.020 A 17 GLU HGy H 1 2.312 0.020 A 17 GLU C C 13 177.017 0.3 A 17 GLU CA C 13 57.085 0.3 A 17 GLU CB C 13 29.983 0.3 A 17 GLU CG C 13 36.857 0.3 A 17 GLU N N 15 115.490 0.3 A 18 ARG H H 1 8.148 0.020 A 18 ARG HA H 1 4.481 0.020 A 18 ARG HBx H 1 1.613 0.020 A 18 ARG HBy H 1 2.060 0.020 A 18 ARG HD2 H 1 3.264 0.020 A 18 ARG HD3 H 1 3.264 0.020 A 18 ARG HG2 H 1 1.535 0.020 A 18 ARG HG3 H 1 1.535 0.020 A 18 ARG C C 13 174.365 0.3 A 18 ARG CA C 13 54.851 0.3 A 18 ARG CB C 13 31.149 0.3 A 18 ARG CD C 13 43.463 0.3 A 18 ARG CG C 13 27.419 0.3 A 18 ARG N N 15 120.642 0.3 A 19 VAL H H 1 7.354 0.020 A 19 VAL HA H 1 3.917 0.020 A 19 VAL HB H 1 1.937 0.020 A 19 VAL HGx% H 1 0.802 0.020 A 19 VAL HGy% H 1 0.869 0.020 A 19 VAL C C 13 174.544 0.3 A 19 VAL CA C 13 62.160 0.3 A 19 VAL CB C 13 32.979 0.3 A 19 VAL CG1 C 13 20.632 0.3 A 19 VAL CG2 C 13 22.309 0.3 A 19 VAL N N 15 120.275 0.3 A 20 PHE H H 1 8.329 0.020 A 20 PHE HA H 1 4.553 0.020 A 20 PHE HBx H 1 2.674 0.020 A 20 PHE HBy H 1 2.816 0.020 A 20 PHE HDx H 1 7.096 0.020 A 20 PHE HDy H 1 7.247 0.020 A 20 PHE HE1 H 1 7.296 0.020 A 20 PHE HE2 H 1 7.296 0.020 A 20 PHE C C 13 174.814 0.3 A 20 PHE CA C 13 57.247 0.3 A 20 PHE CB C 13 39.546 0.3 A 20 PHE CD1 C 13 131.746 0.3 A 20 PHE CD2 C 13 131.665 0.3 A 20 PHE CE1 C 13 129.922 0.3 A 20 PHE CE2 C 13 129.922 0.3 A 20 PHE N N 15 126.972 0.3 A 21 ASN H H 1 8.540 0.020 A 21 ASN HA H 1 5.509 0.020 A 21 ASN HBx H 1 2.506 0.020 A 21 ASN HBy H 1 2.594 0.020 A 21 ASN HD21 H 1 7.263 0.020 A 21 ASN HD22 H 1 6.634 0.020 A 21 ASN C C 13 175.272 0.3 A 21 ASN CA C 13 53.015 0.3 A 21 ASN CB C 13 40.687 0.3 A 21 ASN N N 15 124.957 0.3 A 21 ASN ND2 N 15 112.019 0.3 A 22 HIS H H 1 9.031 0.020 A 22 HIS HA H 1 4.727 0.020 A 22 HIS HBx H 1 3.018 0.020 A 22 HIS HBy H 1 3.127 0.020 A 22 HIS HD2 H 1 6.967 0.020 A 22 HIS HE1 H 1 7.784 0.020 A 22 HIS C C 13 174.823 0.3 A 22 HIS CA C 13 57.311 0.3 A 22 HIS CB C 13 33.719 0.3 A 22 HIS CD2 C 13 119.703 0.3 A 22 HIS CE1 C 13 138.889 0.3 A 22 HIS N N 15 121.892 0.3 A 22 HIS ND1 N 15 225.092 0.3 A 22 HIS NE2 N 15 176.702 0.3 A 23 ASP HA H 1 4.155 0.020 A 23 ASP HBx H 1 2.049 0.020 A 23 ASP HBy H 1 2.873 0.020 A 23 ASP C C 13 175.294 0.3 A 23 ASP CA C 13 54.873 0.3 A 23 ASP CB C 13 39.631 0.3 A 24 GLY H H 1 8.451 0.020 A 24 GLY HAx H 1 3.595 0.020 A 24 GLY HAy H 1 4.128 0.020 A 24 GLY C C 13 173.745 0.3 A 24 GLY CA C 13 45.509 0.3 A 24 GLY N N 15 104.100 0.3 A 25 GLU H H 1 7.875 0.020 A 25 GLU HA H 1 4.598 0.020 A 25 GLU HBx H 1 1.851 0.020 A 25 GLU HBy H 1 1.962 0.020 A 25 GLU HG2 H 1 2.144 0.020 A 25 GLU HG3 H 1 2.144 0.020 A 25 GLU C C 13 173.574 0.3 A 25 GLU CA C 13 54.123 0.3 A 25 GLU CB C 13 32.649 0.3 A 25 GLU CG C 13 35.889 0.3 A 25 GLU N N 15 120.807 0.3 A 26 ALA H H 1 8.446 0.020 A 26 ALA HA H 1 4.669 0.020 A 26 ALA HB% H 1 1.214 0.020 A 26 ALA C C 13 176.542 0.3 A 26 ALA CA C 13 51.369 0.3 A 26 ALA CB C 13 21.569 0.3 A 26 ALA N N 15 124.683 0.3 A 27 TYR H H 1 8.643 0.020 A 27 TYR HA H 1 5.810 0.020 A 27 TYR HBx H 1 2.981 0.020 A 27 TYR HBy H 1 3.072 0.020 A 27 TYR HD1 H 1 7.213 0.020 A 27 TYR HD2 H 1 7.213 0.020 A 27 TYR HE1 H 1 6.866 0.020 A 27 TYR HE2 H 1 6.866 0.020 A 27 TYR C C 13 176.210 0.3 A 27 TYR CA C 13 56.173 0.3 A 27 TYR CB C 13 43.286 0.3 A 27 TYR CD1 C 13 133.799 0.3 A 27 TYR CD2 C 13 133.799 0.3 A 27 TYR CE1 C 13 118.466 0.3 A 27 TYR N N 15 116.321 0.3 A 28 CYS H H 1 9.543 0.020 A 28 CYS HA H 1 4.845 0.020 A 28 CYS HBx H 1 2.849 0.020 A 28 CYS HBy H 1 3.810 0.020 A 28 CYS C C 13 172.898 0.3 A 28 CYS CA C 13 58.411 0.3 A 28 CYS CB C 13 32.172 0.3 A 28 CYS N N 15 117.575 0.3 A 29 SER H H 1 7.204 0.020 A 29 SER HA H 1 4.290 0.020 A 29 SER HBx H 1 3.977 0.020 A 29 SER HBy H 1 4.106 0.020 A 29 SER C C 13 172.598 0.3 A 29 SER CA C 13 56.942 0.3 A 29 SER CB C 13 65.001 0.3 A 29 SER N N 15 108.442 0.3 A 30 GLN HA H 1 2.868 0.020 A 30 GLN HB2 H 1 1.533 0.020 A 30 GLN HB3 H 1 1.533 0.020 A 30 GLN HE21 H 1 7.800 0.020 A 30 GLN HE22 H 1 6.620 0.020 A 30 GLN HG2 H 1 1.887 0.020 A 30 GLN HG3 H 1 1.887 0.020 A 30 GLN C C 13 176.595 0.3 A 30 GLN CA C 13 58.390 0.3 A 30 GLN CB C 13 27.375 0.3 A 30 GLN CG C 13 32.328 0.3 A 30 GLN NE2 N 15 111.672 0.3 A 31 ALA H H 1 8.090 0.020 A 31 ALA HA H 1 3.748 0.020 A 31 ALA HB% H 1 1.001 0.020 A 31 ALA C C 13 179.127 0.3 A 31 ALA CA C 13 55.097 0.3 A 31 ALA CB C 13 18.705 0.3 A 31 ALA N N 15 119.237 0.3 A 32 CYS H H 1 6.795 0.020 A 32 CYS HA H 1 3.593 0.020 A 32 CYS HBx H 1 2.754 0.020 A 32 CYS HBy H 1 3.237 0.020 A 32 CYS C C 13 176.429 0.3 A 32 CYS CA C 13 63.171 0.3 A 32 CYS CB C 13 32.152 0.3 A 32 CYS N N 15 112.303 0.3 A 33 ALA H H 1 7.232 0.020 A 33 ALA HA H 1 1.848 0.020 A 33 ALA HB% H 1 0.858 0.020 A 33 ALA C C 13 177.625 0.3 A 33 ALA CA C 13 54.345 0.3 A 33 ALA CB C 13 19.204 0.3 A 33 ALA N N 15 124.241 0.3 A 34 GLU H H 1 7.446 0.020 A 34 GLU HA H 1 3.878 0.020 A 34 GLU HBx H 1 1.429 0.020 A 34 GLU HBy H 1 1.960 0.020 A 34 GLU HGx H 1 1.835 0.020 A 34 GLU HGy H 1 2.069 0.020 A 34 GLU C C 13 175.121 0.3 A 34 GLU CA C 13 55.337 0.3 A 34 GLU CB C 13 29.269 0.3 A 34 GLU CG C 13 36.858 0.3 A 34 GLU N N 15 111.734 0.3 A 35 GLN H H 1 7.312 0.020 A 35 GLN HA H 1 3.747 0.020 A 35 GLN HBx H 1 2.159 0.020 A 35 GLN HBy H 1 2.256 0.020 A 35 GLN HE21 H 1 7.561 0.020 A 35 GLN HE22 H 1 6.716 0.020 A 35 GLN HGx H 1 2.134 0.020 A 35 GLN HGy H 1 2.275 0.020 A 35 GLN C C 13 175.157 0.3 A 35 GLN CA C 13 57.194 0.3 A 35 GLN CB C 13 25.079 0.3 A 35 GLN CG C 13 34.135 0.3 A 35 GLN N N 15 112.900 0.3 A 35 GLN NE2 N 15 112.673 0.3 A 36 HIS H H 1 8.414 0.020 A 36 HIS HA H 1 3.765 0.020 A 36 HIS HBx H 1 2.723 0.020 A 36 HIS HBy H 1 3.462 0.020 A 36 HIS HD1 H 1 13.272 0.020 A 36 HIS HD2 H 1 6.963 0.020 A 36 HIS HE1 H 1 7.420 0.020 A 36 HIS C C 13 173.675 0.3 A 36 HIS CA C 13 56.651 0.3 A 36 HIS CB C 13 26.783 0.3 A 36 HIS CD2 C 13 128.642 0.3 A 36 HIS CE1 C 13 139.193 0.3 A 36 HIS N N 15 110.799 0.3 A 36 HIS ND1 N 15 173.798 0.3 A 36 HIS NE2 N 15 225.384 0.3 A 37 PRO HA H 1 4.324 0.020 A 37 PRO HBx H 1 1.883 0.020 A 37 PRO HBy H 1 2.223 0.020 A 37 PRO HD2 H 1 3.489 0.020 A 37 PRO HD3 H 1 3.489 0.020 A 37 PRO HG2 H 1 1.959 0.020 A 37 PRO HG3 H 1 1.959 0.020 A 37 PRO CA C 13 65.197 0.3 A 37 PRO CB C 13 31.380 0.3 A 37 PRO CD C 13 50.534 0.3 A 37 PRO CG C 13 27.180 0.3 A 38 ASN HA H 1 4.839 0.020 A 38 ASN HBx H 1 2.535 0.020 A 38 ASN HBy H 1 2.895 0.020 A 38 ASN HD21 H 1 7.880 0.020 A 38 ASN HD22 H 1 6.970 0.020 A 38 ASN C C 13 175.914 0.3 A 38 ASN CA C 13 52.625 0.3 A 38 ASN CB C 13 39.143 0.3 A 38 ASN ND2 N 15 115.758 0.3 A 39 GLY H H 1 8.113 0.020 A 39 GLY HAx H 1 3.750 0.020 A 39 GLY HAy H 1 3.933 0.020 A 39 GLY C C 13 173.978 0.3 A 39 GLY CA C 13 46.188 0.3 A 39 GLY N N 15 108.377 0.3 A 40 GLU HA H 1 4.389 0.020 A 40 GLU HBx H 1 1.818 0.020 A 40 GLU HBy H 1 1.996 0.020 A 40 GLU HGx H 1 2.206 0.020 A 40 GLU HGy H 1 2.409 0.020 A 40 GLU CA C 13 54.582 0.3 A 40 GLU CB C 13 28.885 0.3 A 40 GLU CG C 13 35.740 0.3 A 41 PRO HA H 1 4.469 0.020 A 41 PRO HB2 H 1 2.232 0.020 A 41 PRO HB3 H 1 2.232 0.020 A 41 PRO HDx H 1 3.589 0.020 A 41 PRO HDy H 1 3.882 0.020 A 41 PRO HGx H 1 1.813 0.020 A 41 PRO HGy H 1 1.940 0.020 A 41 PRO C C 13 177.809 0.3 A 41 PRO CA C 13 62.699 0.3 A 41 PRO CB C 13 32.417 0.3 A 41 PRO CD C 13 50.501 0.3 A 41 PRO CG C 13 26.860 0.3 A 42 CYS H H 1 9.701 0.020 A 42 CYS HA H 1 4.922 0.020 A 42 CYS HBx H 1 3.032 0.020 A 42 CYS HBy H 1 3.776 0.020 A 42 CYS C C 13 172.498 0.3 A 42 CYS CA C 13 56.968 0.3 A 42 CYS CB C 13 31.518 0.3 A 42 CYS N N 15 119.868 0.3 A 43 PRO HA H 1 4.316 0.020 A 43 PRO HBx H 1 2.246 0.020 A 43 PRO HBy H 1 2.355 0.020 A 43 PRO HDx H 1 4.160 0.020 A 43 PRO HDy H 1 4.237 0.020 A 43 PRO HGx H 1 2.019 0.020 A 43 PRO HGy H 1 2.106 0.020 A 43 PRO C C 13 175.828 0.3 A 43 PRO CA C 13 64.758 0.3 A 43 PRO CB C 13 31.815 0.3 A 43 PRO CD C 13 51.621 0.3 A 43 PRO CG C 13 27.369 0.3 A 44 ALA H H 1 7.483 0.020 A 44 ALA HA H 1 4.714 0.020 A 44 ALA HB% H 1 1.328 0.020 A 44 ALA C C 13 175.894 0.3 A 44 ALA CA C 13 49.853 0.3 A 44 ALA CB C 13 19.780 0.3 A 44 ALA N N 15 125.566 0.3 A 45 PRO HA H 1 4.331 0.020 A 45 PRO HB2 H 1 1.908 0.020 A 45 PRO HB3 H 1 1.908 0.020 A 45 PRO HDx H 1 3.789 0.020 A 45 PRO HDy H 1 4.060 0.020 A 45 PRO HG2 H 1 2.005 0.020 A 45 PRO HG3 H 1 2.005 0.020 A 45 PRO C C 13 176.830 0.3 A 45 PRO CA C 13 64.293 0.3 A 45 PRO CB C 13 31.947 0.3 A 45 PRO CD C 13 50.928 0.3 A 45 PRO CG C 13 27.346 0.3 A 46 ASP H H 1 8.260 0.020 A 46 ASP HA H 1 4.465 0.020 A 46 ASP HB2 H 1 2.675 0.020 A 46 ASP HB3 H 1 2.675 0.020 A 46 ASP C C 13 174.227 0.3 A 46 ASP CA C 13 53.312 0.3 A 46 ASP CB C 13 40.357 0.3 A 46 ASP N N 15 114.410 0.3 A 47 CYS H H 1 7.263 0.020 A 47 CYS HA H 1 4.122 0.020 A 47 CYS HBx H 1 2.633 0.020 A 47 CYS HBy H 1 3.003 0.020 A 47 CYS C C 13 175.006 0.3 A 47 CYS CA C 13 60.265 0.3 A 47 CYS CB C 13 31.048 0.3 A 47 CYS N N 15 121.888 0.3 A 48 HIS HA H 1 5.257 0.020 A 48 HIS HB2 H 1 3.120 0.020 A 48 HIS HB3 H 1 3.120 0.020 A 48 HIS HD2 H 1 6.987 0.020 A 48 HIS HE1 H 1 8.129 0.020 A 48 HIS C C 13 176.638 0.3 A 48 HIS CA C 13 54.634 0.3 A 48 HIS CB C 13 27.572 0.3 A 48 HIS CD2 C 13 121.015 0.3 A 48 HIS CE1 C 13 137.407 0.3 A 48 HIS ND1 N 15 191.628 0.3 A 48 HIS NE2 N 15 181.908 0.3 A 49 CYS H H 1 7.989 0.020 A 49 CYS HA H 1 4.255 0.020 A 49 CYS HBx H 1 2.897 0.020 A 49 CYS HBy H 1 3.045 0.020 A 49 CYS C C 13 173.265 0.3 A 49 CYS CA C 13 59.917 0.3 A 49 CYS CB C 13 31.022 0.3 A 49 CYS N N 15 118.504 0.3 A 50 GLU H H 1 9.974 0.020 A 50 GLU HA H 1 3.173 0.020 A 50 GLU HBx H 1 1.285 0.020 A 50 GLU HBy H 1 1.331 0.020 A 50 GLU HGx H 1 1.843 0.020 A 50 GLU HGy H 1 2.189 0.020 A 50 GLU C C 13 175.475 0.3 A 50 GLU CA C 13 56.146 0.3 A 50 GLU CB C 13 28.674 0.3 A 50 GLU CG C 13 34.773 0.3 A 50 GLU N N 15 125.805 0.3 A 51 ARG H H 1 7.625 0.020 A 51 ARG HA H 1 4.314 0.020 A 51 ARG HB2 H 1 1.814 0.020 A 51 ARG HB3 H 1 1.814 0.020 A 51 ARG HD2 H 1 3.120 0.020 A 51 ARG HD3 H 1 3.120 0.020 A 51 ARG HG2 H 1 1.552 0.020 A 51 ARG HG3 H 1 1.552 0.020 A 51 ARG C C 13 174.920 0.3 A 51 ARG CA C 13 55.931 0.3 A 51 ARG CB C 13 30.751 0.3 A 51 ARG CD C 13 43.583 0.3 A 51 ARG CG C 13 27.018 0.3 A 51 ARG N N 15 121.900 0.3 A 52 SER H H 1 7.803 0.020 A 52 SER HA H 1 4.298 0.020 A 52 SER HB2 H 1 3.793 0.020 A 52 SER HB3 H 1 3.793 0.020 A 52 SER C C 13 178.945 0.3 A 52 SER CA C 13 59.901 0.3 A 52 SER CB C 13 64.842 0.3 A 52 SER N N 15 122.289 0.3 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 43 PRO HA A 44 ALA HB% 1.0 0.0 5.22 2 2 A 16 PRO HA A 18 ARG H 1.0 0.0 5.50 3 3 A 45 PRO HA A 47 CYS H 1.0 0.0 5.50 4 4 A 44 ALA HB% A 45 PRO HA 1.0 0.0 5.50 5 5 A 16 PRO HA A 19 VAL HB 1.0 0.0 3.26 6 6 A 32 CYS HA A 36 HIS HD2 1.0 0.0 5.29 7 7 A 32 CYS HA A 31 ALA HB% 1.0 0.0 4.83 8 8 A 32 CYS HA A 36 HIS H 1.0 0.0 4.61 9 9 A 32 CYS HA A 34 GLU H 1.0 0.0 5.36 10 10 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 3.38 11 11 A 5 CYS HA A 7 CYS H 1.0 0.0 4.93 12 12 A 5 CYS HA A 26 ALA HB% 1.0 0.0 5.47 13 13 A 5 CYS HA A 14 VAL HGy% 1.0 0.0 4.51 14 14 A 5 CYS HA A 14 VAL HGx% 1.0 0.0 4.51 15 15 A 49 CYS HA A 51 ARG H 1.0 0.0 4.33 16 16 A 10 CYS HA A 49 CYS HBx 1.0 0.0 4.48 17 17 A 10 CYS HA A 49 CYS HBy 1.0 0.0 3.52 18 18 A 14 VAL HA A 28 CYS HA 1.0 0.0 3.90 19 19 A 28 CYS HA A 14 VAL HGx% 1.0 0.0 3.81 20 20 A 30 GLN HA A 30 GLN HG2 1.0 0.0 3.49 21 20 A 30 GLN HA A 30 GLN HG3 1.0 0.0 3.49 22 21 A 30 GLN HA A 20 PHE HDy 1.0 0.0 4.61 23 22 A 30 GLN HA A 33 ALA H 1.0 0.0 4.99 24 23 A 20 PHE HA A 22 HIS H 1.0 0.0 5.47 25 24 A 7 CYS HA A 9 ASP H 1.0 0.0 5.21 26 25 A 7 CYS HA A 27 TYR HD% 1.0 0.0 5.50 27 26 A 20 PHE HA A 19 VAL HGx% 1.0 0.0 4.71 28 27 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.94 29 28 A 42 CYS HA A 41 PRO HB2 1.0 0.0 4.95 30 28 A 41 PRO HB3 A 42 CYS HA 1.0 0.0 4.95 31 29 A 36 HIS HA A 37 PRO HD2 1.0 0.0 3.06 32 29 A 36 HIS HA A 37 PRO HD3 1.0 0.0 3.06 33 30 A 36 HIS HA A 34 GLU HBy 1.0 0.0 5.50 34 31 A 26 ALA HB% A 27 TYR HA 1.0 0.0 5.50 35 32 A 2 GLU HA A 2 GLU HG2 1.0 0.0 3.92 36 32 A 2 GLU HA A 2 GLU HG3 1.0 0.0 3.92 37 33 A 28 CYS HA A 27 TYR HA 1.0 0.0 5.29 38 34 A 5 CYS HA A 27 TYR HA 1.0 0.0 3.66 39 35 A 49 CYS HA A 50 GLU HA 1.0 0.0 5.06 40 36 A 49 CYS HBx A 50 GLU HA 1.0 0.0 5.27 41 37 A 51 ARG HA A 51 ARG HD2 1.0 0.0 4.62 42 37 A 51 ARG HA A 51 ARG HD3 1.0 0.0 4.62 43 38 A 51 ARG HA A 51 ARG HG2 1.0 0.0 3.61 44 38 A 51 ARG HA A 51 ARG HG3 1.0 0.0 3.61 45 39 A 13 LYS HA A 14 VAL H 1.0 0.0 2.99 46 40 A 13 LYS HA A 14 VAL HGx% 1.0 0.0 5.50 47 41 A 4 ARG HA A 4 ARG HD2 1.0 0.0 5.38 48 41 A 4 ARG HA A 4 ARG HD3 1.0 0.0 5.38 49 42 A 34 GLU H A 31 ALA HA 1.0 0.0 5.30 50 43 A 31 ALA HA A 34 GLU HBx 1.0 0.0 4.41 51 44 A 18 ARG HA A 18 ARG HG2 1.0 0.0 3.50 52 44 A 18 ARG HA A 18 ARG HG3 1.0 0.0 3.50 53 45 A 19 VAL HGx% A 18 ARG HA 1.0 0.0 5.28 54 46 A 22 HIS HA A 23 ASP HA 1.0 0.0 4.39 55 47 A 40 GLU HA A 41 PRO HDy 1.0 0.0 3.16 56 48 A 26 ALA HB% A 25 GLU HA 1.0 0.0 4.53 57 49 A 22 HIS HBx A 33 ALA HA 1.0 0.0 4.83 58 50 A 26 ALA HB% A 21 ASN HA 1.0 0.0 5.04 59 51 A 27 TYR HD% A 21 ASN HA 1.0 0.0 4.76 60 52 A 44 ALA H A 43 PRO HDy 1.0 0.0 5.00 61 53 A 44 ALA H A 43 PRO HDx 1.0 0.0 5.00 62 54 A 26 ALA HA A 27 TYR H 1.0 0.0 3.05 63 55 A 49 CYS HBx A 8 PRO HDx 1.0 0.0 4.67 64 56 A 9 ASP H A 8 PRO HDy 1.0 0.0 4.98 65 57 A 49 CYS HBx A 8 PRO HDy 1.0 0.0 5.50 66 58 A 27 TYR HD% A 26 ALA HA 1.0 0.0 4.56 67 59 A 21 ASN HA A 26 ALA HA 1.0 0.0 3.55 68 60 A 44 ALA HA A 45 PRO HDy 1.0 0.0 3.11 69 61 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 4.47 70 62 A 15 ASP HA A 16 PRO HDy 1.0 0.0 3.05 71 63 A 15 ASP HA A 16 PRO HDx 1.0 0.0 3.05 72 64 A 44 ALA HA A 45 PRO HDx 1.0 0.0 3.11 73 65 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 4.47 74 66 A 31 ALA HB% A 37 PRO HD2 1.0 0.0 5.50 75 66 A 31 ALA HB% A 37 PRO HD3 1.0 0.0 5.50 76 67 A 40 GLU HA A 41 PRO HDx 1.0 0.0 3.16 77 68 A 35 GLN H A 37 PRO HD2 1.0 0.0 5.28 78 68 A 37 PRO HD3 A 35 GLN H 1.0 0.0 5.28 79 69 A 34 GLU HBy A 37 PRO HD2 1.0 0.0 3.29 80 69 A 37 PRO HD3 A 34 GLU HBy 1.0 0.0 3.29 81 70 A 34 GLU HBx A 37 PRO HD2 1.0 0.0 3.63 82 70 A 37 PRO HD3 A 34 GLU HBx 1.0 0.0 3.63 83 71 A 22 HIS HA A 24 GLY HAx 1.0 0.0 5.50 84 72 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.37 85 72 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.37 86 73 A 15 ASP HBx A 18 ARG HD2 1.0 0.0 5.44 87 73 A 18 ARG HD3 A 15 ASP HBx 1.0 0.0 5.44 88 74 A 3 LEU HA A 4 ARG HD2 1.0 0.0 5.24 89 74 A 4 ARG HD3 A 3 LEU HA 1.0 0.0 5.24 90 75 A 4 ARG HB3 A 4 ARG HD2 1.0 0.0 3.14 91 75 A 4 ARG HB2 A 4 ARG HD2 1.0 0.0 3.14 92 75 A 4 ARG HD3 A 4 ARG HB2 1.0 0.0 3.14 93 75 A 4 ARG HD3 A 4 ARG HB3 1.0 0.0 3.14 94 76 A 27 TYR H A 27 TYR HBy 1.0 0.0 4.01 95 77 A 27 TYR HBy A 29 SER H 1.0 0.0 3.85 96 78 A 27 TYR HBy A 33 ALA HB% 1.0 0.0 3.91 97 79 A 27 TYR HBy A 28 CYS H 1.0 0.0 4.37 98 80 A 20 PHE HDx A 27 TYR HBx 1.0 0.0 5.41 99 81 A 27 TYR HBx A 20 PHE HBx 1.0 0.0 3.58 100 82 A 33 ALA HB% A 27 TYR HBx 1.0 0.0 4.00 101 83 A 28 CYS H A 27 TYR HBx 1.0 0.0 4.08 102 84 A 4 ARG H A 3 LEU HB2 1.0 0.0 4.74 103 84 A 3 LEU HB3 A 4 ARG H 1.0 0.0 4.74 104 85 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.78 105 86 A 44 ALA HB% A 46 ASP HB2 1.0 0.0 5.37 106 86 A 44 ALA HB% A 46 ASP HB3 1.0 0.0 5.37 107 87 A 47 CYS HA A 46 ASP HB2 1.0 0.0 5.46 108 87 A 46 ASP HB3 A 47 CYS HA 1.0 0.0 5.46 109 88 A 22 HIS HBx A 20 PHE HBy 1.0 0.0 3.97 110 89 A 33 ALA HB% A 20 PHE HBx 1.0 0.0 4.11 111 90 A 19 VAL HA A 20 PHE HBx 1.0 0.0 5.50 112 91 A 17 GLU H A 17 GLU HGx 1.0 0.0 4.55 113 92 A 17 GLU H A 17 GLU HGy 1.0 0.0 4.55 114 93 A 17 GLU HA A 17 GLU HGy 1.0 0.0 4.06 115 94 A 17 GLU HA A 17 GLU HGx 1.0 0.0 4.06 116 95 A 24 GLY HAx A 25 GLU HG2 1.0 0.0 5.50 117 95 A 24 GLY HAx A 25 GLU HG3 1.0 0.0 5.50 118 96 A 27 TYR HE% A 25 GLU HG2 1.0 0.0 4.83 119 96 A 25 GLU HG3 A 27 TYR HE% 1.0 0.0 4.83 120 97 A 25 GLU HA A 25 GLU HG2 1.0 0.0 3.79 121 97 A 25 GLU HA A 25 GLU HG3 1.0 0.0 3.79 122 98 A 35 GLN HA A 35 GLN HGy 1.0 0.0 3.94 123 99 A 35 GLN H A 35 GLN HGy 1.0 0.0 4.64 124 100 A 27 TYR HD% A 22 HIS HBy 1.0 0.0 4.27 125 101 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 4.00 126 102 A 22 HIS HBx A 27 TYR HE% 1.0 0.0 4.40 127 103 A 25 GLU H A 25 GLU HBy 1.0 0.0 4.20 128 104 A 28 CYS HBy A 14 VAL HGx% 1.0 0.0 4.40 129 105 A 42 CYS H A 41 PRO HB2 1.0 0.0 3.79 130 105 A 41 PRO HB3 A 42 CYS H 1.0 0.0 3.79 131 106 A 45 PRO HB2 A 46 ASP HB2 1.0 0.0 5.00 132 106 A 45 PRO HB3 A 46 ASP HB2 1.0 0.0 5.00 133 106 A 46 ASP HB3 A 45 PRO HB2 1.0 0.0 5.00 134 106 A 46 ASP HB3 A 45 PRO HB3 1.0 0.0 5.00 135 107 A 13 LYS HB2 A 13 LYS HE2 1.0 0.0 5.50 136 107 A 13 LYS HE3 A 13 LYS HB2 1.0 0.0 5.50 137 107 A 13 LYS HB3 A 13 LYS HE3 1.0 0.0 5.50 138 107 A 13 LYS HB3 A 13 LYS HE2 1.0 0.0 5.50 139 108 A 4 ARG H A 4 ARG HB2 1.0 0.0 3.50 140 108 A 4 ARG HB3 A 4 ARG H 1.0 0.0 3.50 141 109 A 49 CYS HBy A 48 HIS HA 1.0 0.0 5.46 142 110 A 15 ASP HBx A 18 ARG HBy 1.0 0.0 5.50 143 111 A 15 ASP HBx A 18 ARG HBx 1.0 0.0 5.50 144 112 A 27 TYR HE% A 7 CYS HBy 1.0 0.0 5.50 145 113 A 7 CYS HBy A 10 CYS H 1.0 0.0 4.75 146 114 A 27 TYR HD% A 7 CYS HBy 1.0 0.0 5.50 147 115 A 7 CYS H A 7 CYS HBy 1.0 0.0 3.47 148 116 A 27 TYR HD% A 7 CYS HBx 1.0 0.0 3.99 149 117 A 27 TYR HE% A 7 CYS HBx 1.0 0.0 4.51 150 118 A 34 GLU HBx A 32 CYS H 1.0 0.0 5.50 151 119 A 13 LYS HA A 13 LYS HDx 1.0 0.0 5.07 152 120 A 13 LYS HA A 13 LYS HDy 1.0 0.0 5.07 153 121 A 51 ARG H A 48 HIS HB2 1.0 0.0 5.50 154 121 A 51 ARG H A 48 HIS HB3 1.0 0.0 5.50 155 122 A 48 HIS HB3 A 51 ARG HG2 1.0 0.0 4.21 156 122 A 48 HIS HB2 A 51 ARG HG2 1.0 0.0 4.21 157 122 A 51 ARG HG3 A 48 HIS HB2 1.0 0.0 4.21 158 122 A 51 ARG HG3 A 48 HIS HB3 1.0 0.0 4.21 159 123 A 44 ALA H A 43 PRO HGx 1.0 0.0 4.83 160 124 A 44 ALA HA A 45 PRO HG2 1.0 0.0 4.71 161 124 A 44 ALA HA A 45 PRO HG3 1.0 0.0 4.71 162 125 A 45 PRO HG2 A 46 ASP HB2 1.0 0.0 5.50 163 125 A 45 PRO HG3 A 46 ASP HB2 1.0 0.0 5.50 164 125 A 46 ASP HB3 A 45 PRO HG2 1.0 0.0 5.50 165 125 A 46 ASP HB3 A 45 PRO HG3 1.0 0.0 5.50 166 126 A 38 ASN HD22 A 37 PRO HG2 1.0 0.0 5.50 167 126 A 37 PRO HG3 A 38 ASN HD22 1.0 0.0 5.50 168 127 A 51 ARG HB2 A 51 ARG HG2 1.0 0.0 2.56 169 127 A 51 ARG HB3 A 51 ARG HG2 1.0 0.0 2.56 170 127 A 51 ARG HG3 A 51 ARG HB2 1.0 0.0 2.56 171 127 A 51 ARG HG3 A 51 ARG HB3 1.0 0.0 2.56 172 128 A 4 ARG H A 3 LEU HG 1.0 0.0 5.50 173 129 A 3 LEU HB3 A 3 LEU HDy% 1.0 0.0 3.44 174 129 A 3 LEU HB2 A 3 LEU HDy% 1.0 0.0 3.44 175 130 A 26 ALA HB% A 3 LEU HDx% 1.0 0.0 3.47 176 131 A 3 LEU HB3 A 3 LEU HDx% 1.0 0.0 3.44 177 131 A 3 LEU HDx% A 3 LEU HB2 1.0 0.0 3.44 178 132 A 18 ARG H A 19 VAL HGy% 1.0 0.0 5.45 179 133 A 19 VAL HGy% A 19 VAL H 1.0 0.0 3.98 180 134 A 19 VAL HGy% A 26 ALA HA 1.0 0.0 4.35 181 135 A 16 PRO HA A 19 VAL HGy% 1.0 0.0 3.61 182 136 A 19 VAL HGy% A 26 ALA HB% 1.0 0.0 3.16 183 137 A 19 VAL HGy% A 18 ARG HG2 1.0 0.0 5.42 184 137 A 19 VAL HGy% A 18 ARG HG3 1.0 0.0 5.42 185 138 A 28 CYS H A 14 VAL HGy% 1.0 0.0 5.45 186 139 A 14 VAL H A 14 VAL HGy% 1.0 0.0 3.87 187 140 A 28 CYS HA A 14 VAL HGy% 1.0 0.0 3.81 188 141 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.32 189 142 A 28 CYS HBx A 14 VAL HGy% 1.0 0.0 4.99 190 143 A 28 CYS HBy A 14 VAL HGy% 1.0 0.0 4.40 191 144 A 3 LEU HB3 A 14 VAL HGy% 1.0 0.0 4.55 192 144 A 14 VAL HGy% A 3 LEU HB2 1.0 0.0 4.55 193 145 A 26 ALA HB% A 14 VAL HGy% 1.0 0.0 4.46 194 146 A 13 LYS HA A 14 VAL HGy% 1.0 0.0 5.50 195 147 A 26 ALA HB% A 3 LEU HG 1.0 0.0 3.92 196 148 A 26 ALA HB% A 3 LEU HDy% 1.0 0.0 3.47 197 149 A 26 ALA HB% A 14 VAL HGx% 1.0 0.0 4.46 198 150 A 26 ALA HB% A 4 ARG HG2 1.0 0.0 5.47 199 150 A 26 ALA HB% A 4 ARG HG3 1.0 0.0 5.47 200 151 A 19 VAL HGx% A 20 PHE H 1.0 0.0 4.37 201 152 A 19 VAL HGx% A 27 TYR H 1.0 0.0 5.50 202 153 A 19 VAL HGx% A 26 ALA HA 1.0 0.0 5.13 203 154 A 16 PRO HA A 19 VAL HGx% 1.0 0.0 4.00 204 155 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 3.61 205 156 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.87 206 157 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 3.32 207 158 A 28 CYS HBx A 14 VAL HGx% 1.0 0.0 4.99 208 159 A 3 LEU HB3 A 14 VAL HGx% 1.0 0.0 4.55 209 159 A 3 LEU HB2 A 14 VAL HGx% 1.0 0.0 4.55 210 160 A 44 ALA HB% A 42 CYS HA 1.0 0.0 5.50 211 161 A 44 ALA HB% A 47 CYS HBy 1.0 0.0 3.55 212 162 A 44 ALA HB% A 47 CYS HBx 1.0 0.0 3.55 213 163 A 33 ALA HB% A 34 GLU HA 1.0 0.0 5.11 214 164 A 22 HIS HBx A 33 ALA HB% 1.0 0.0 3.22 215 165 A 30 GLN HA A 33 ALA HB% 1.0 0.0 3.21 216 166 A 33 ALA HB% A 20 PHE HBy 1.0 0.0 4.19 217 167 A 31 ALA HB% A 34 GLU H 1.0 0.0 4.89 218 168 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 4.09 219 169 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 4.09 220 170 A 31 ALA HB% A 40 GLU HBy 1.0 0.0 4.70 221 171 A 31 ALA HB% A 40 GLU HBx 1.0 0.0 4.70 222 172 A 31 ALA HB% A 42 CYS HA 1.0 0.0 4.37 223 173 A 14 VAL HA A 15 ASP H 1.0 0.0 2.81 224 174 A 15 ASP HBx A 15 ASP H 1.0 0.0 3.29 225 175 A 15 ASP H A 14 VAL HB 1.0 0.0 4.73 226 176 A 15 ASP H A 14 VAL HGy% 1.0 0.0 4.45 227 177 A 15 ASP H A 14 VAL HGx% 1.0 0.0 4.45 228 178 A 14 VAL H A 15 ASP H 1.0 0.0 5.50 229 179 A 7 CYS H A 7 CYS HBx 1.0 0.0 3.25 230 180 A 27 TYR HBx A 20 PHE H 1.0 0.0 5.50 231 181 A 19 VAL HB A 20 PHE H 1.0 0.0 4.33 232 182 A 20 PHE HDx A 20 PHE H 1.0 0.0 4.17 233 183 A 19 VAL HA A 20 PHE H 1.0 0.0 2.88 234 184 A 20 PHE HBx A 20 PHE H 1.0 0.0 3.84 235 185 A 20 PHE HBy A 20 PHE H 1.0 0.0 3.87 236 186 A 19 VAL HGy% A 20 PHE H 1.0 0.0 3.51 237 187 A 50 GLU H A 52 SER H 1.0 0.0 5.50 238 188 A 50 GLU H A 50 GLU HGy 1.0 0.0 5.36 239 189 A 50 GLU H A 50 GLU HGx 1.0 0.0 5.36 240 190 A 50 GLU H A 51 ARG HB2 1.0 0.0 5.50 241 190 A 51 ARG HB3 A 50 GLU H 1.0 0.0 5.50 242 191 A 50 GLU H A 51 ARG HG2 1.0 0.0 5.45 243 191 A 51 ARG HG3 A 50 GLU H 1.0 0.0 5.45 244 192 A 44 ALA H A 47 CYS HBx 1.0 0.0 5.50 245 193 A 44 ALA H A 42 CYS H 1.0 0.0 5.28 246 194 A 44 ALA H A 47 CYS HBy 1.0 0.0 5.50 247 195 A 44 ALA H A 45 PRO HG2 1.0 0.0 5.50 248 195 A 44 ALA H A 45 PRO HG3 1.0 0.0 5.50 249 196 A 44 ALA HB% A 44 ALA H 1.0 0.0 2.79 250 197 A 20 PHE HA A 21 ASN H 1.0 0.0 3.35 251 198 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.77 252 198 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.77 253 199 A 27 TYR HD% A 26 ALA H 1.0 0.0 5.18 254 200 A 20 PHE H A 21 ASN H 1.0 0.0 5.50 255 201 A 20 PHE HBx A 21 ASN H 1.0 0.0 5.50 256 202 A 19 VAL HGx% A 21 ASN H 1.0 0.0 5.50 257 203 A 19 VAL HGy% A 21 ASN H 1.0 0.0 5.50 258 204 A 20 PHE HDy A 21 ASN H 1.0 0.0 5.38 259 205 A 25 GLU HA A 26 ALA H 1.0 0.0 2.94 260 206 A 26 ALA H A 25 GLU HG2 1.0 0.0 3.62 261 206 A 25 GLU HG3 A 26 ALA H 1.0 0.0 3.62 262 207 A 26 ALA HB% A 26 ALA H 1.0 0.0 2.99 263 208 A 27 TYR HE% A 26 ALA H 1.0 0.0 5.36 264 209 A 27 TYR HA A 26 ALA H 1.0 0.0 5.50 265 210 A 3 LEU HG A 3 LEU H 1.0 0.0 4.60 266 211 A 33 ALA H A 32 CYS H 1.0 0.0 3.33 267 212 A 33 ALA H A 33 ALA HB% 1.0 0.0 2.90 268 213 A 4 ARG H A 3 LEU H 1.0 0.0 5.09 269 214 A 4 ARG H A 4 ARG HG2 1.0 0.0 3.52 270 214 A 4 ARG H A 4 ARG HG3 1.0 0.0 3.52 271 215 A 12 CYS H A 13 LYS H 1.0 0.0 4.66 272 216 A 5 CYS H A 5 CYS HBy 1.0 0.0 3.11 273 217 A 5 CYS H A 5 CYS HBx 1.0 0.0 3.11 274 218 A 52 SER H A 51 ARG HG2 1.0 0.0 4.63 275 218 A 51 ARG HG3 A 52 SER H 1.0 0.0 4.63 276 219 A 51 ARG H A 52 SER H 1.0 0.0 3.72 277 220 A 50 GLU HA A 52 SER H 1.0 0.0 5.50 278 221 A 52 SER H A 51 ARG HD2 1.0 0.0 5.50 279 221 A 51 ARG HD3 A 52 SER H 1.0 0.0 5.50 280 222 A 13 LYS H A 12 CYS HA 1.0 0.0 2.79 281 223 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.06 282 223 A 13 LYS HB3 A 13 LYS H 1.0 0.0 3.06 283 224 A 52 SER H A 52 SER HB2 1.0 0.0 3.76 284 224 A 52 SER H A 52 SER HB3 1.0 0.0 3.76 285 225 A 52 SER H A 51 ARG HB2 1.0 0.0 3.80 286 225 A 51 ARG HB3 A 52 SER H 1.0 0.0 3.80 287 226 A 14 VAL H A 14 VAL HB 1.0 0.0 2.99 288 227 A 9 ASP H A 10 CYS H 1.0 0.0 3.41 289 228 A 10 CYS H A 10 CYS HBy 1.0 0.0 3.36 290 229 A 10 CYS H A 10 CYS HBx 1.0 0.0 3.36 291 230 A 10 CYS H A 7 CYS HBx 1.0 0.0 4.32 292 231 A 10 CYS H A 9 ASP HBy 1.0 0.0 5.28 293 232 A 49 CYS HBy A 10 CYS H 1.0 0.0 5.50 294 233 A 10 CYS H A 9 ASP HBx 1.0 0.0 5.28 295 234 A 47 CYS H A 47 CYS HBy 1.0 0.0 3.80 296 235 A 14 VAL H A 15 ASP HA 1.0 0.0 5.30 297 236 A 51 ARG H A 50 GLU H 1.0 0.0 3.51 298 237 A 51 ARG H A 51 ARG HB2 1.0 0.0 3.14 299 237 A 51 ARG H A 51 ARG HB3 1.0 0.0 3.14 300 238 A 51 ARG H A 51 ARG HG2 1.0 0.0 3.43 301 238 A 51 ARG H A 51 ARG HG3 1.0 0.0 3.43 302 239 A 47 CYS H A 47 CYS HBx 1.0 0.0 3.80 303 240 A 44 ALA HB% A 47 CYS H 1.0 0.0 3.83 304 241 A 25 GLU H A 26 ALA H 1.0 0.0 4.67 305 242 A 22 HIS HA A 25 GLU H 1.0 0.0 4.42 306 243 A 18 ARG H A 15 ASP HBx 1.0 0.0 3.94 307 244 A 18 ARG H A 15 ASP HBy 1.0 0.0 4.59 308 245 A 18 ARG H A 18 ARG HG2 1.0 0.0 3.45 309 245 A 18 ARG H A 18 ARG HG3 1.0 0.0 3.45 310 246 A 18 ARG H A 19 VAL HGx% 1.0 0.0 4.38 311 247 A 27 TYR HE% A 25 GLU H 1.0 0.0 4.53 312 248 A 21 ASN HA A 25 GLU H 1.0 0.0 4.89 313 249 A 25 GLU H A 25 GLU HG2 1.0 0.0 4.09 314 249 A 25 GLU HG3 A 25 GLU H 1.0 0.0 4.09 315 250 A 25 GLU H A 25 GLU HBx 1.0 0.0 4.20 316 251 A 25 GLU H A 21 ASN HD21 1.0 0.0 5.36 317 252 A 18 ARG H A 19 VAL H 1.0 0.0 3.22 318 253 A 20 PHE HDx A 19 VAL H 1.0 0.0 4.91 319 254 A 19 VAL HB A 19 VAL H 1.0 0.0 3.14 320 255 A 19 VAL H A 18 ARG HG2 1.0 0.0 5.08 321 255 A 18 ARG HG3 A 19 VAL H 1.0 0.0 5.08 322 256 A 18 ARG HA A 19 VAL H 1.0 0.0 3.46 323 257 A 19 VAL HGx% A 19 VAL H 1.0 0.0 3.16 324 258 A 42 CYS H A 41 PRO HA 1.0 0.0 3.04 325 259 A 42 CYS H A 42 CYS HBy 1.0 0.0 4.08 326 260 A 42 CYS H A 42 CYS HBx 1.0 0.0 4.08 327 261 A 31 ALA HB% A 42 CYS H 1.0 0.0 5.10 328 262 A 32 CYS H A 31 ALA H 1.0 0.0 3.82 329 263 A 31 ALA HB% A 31 ALA H 1.0 0.0 3.00 330 264 A 44 ALA HB% A 49 CYS H 1.0 0.0 5.50 331 265 A 50 GLU H A 49 CYS H 1.0 0.0 4.70 332 266 A 48 HIS HA A 49 CYS H 1.0 0.0 3.48 333 267 A 49 CYS HBx A 49 CYS H 1.0 0.0 3.85 334 268 A 51 ARG H A 49 CYS H 1.0 0.0 5.50 335 269 A 49 CYS H A 51 ARG HG2 1.0 0.0 5.50 336 269 A 51 ARG HG3 A 49 CYS H 1.0 0.0 5.50 337 270 A 49 CYS HBy A 49 CYS H 1.0 0.0 3.36 338 271 A 49 CYS H A 51 ARG HB2 1.0 0.0 5.50 339 271 A 51 ARG HB3 A 49 CYS H 1.0 0.0 5.50 340 272 A 7 CYS H A 28 CYS H 1.0 0.0 5.50 341 273 A 29 SER H A 28 CYS H 1.0 0.0 3.37 342 274 A 27 TYR HA A 28 CYS H 1.0 0.0 2.86 343 275 A 5 CYS HA A 28 CYS H 1.0 0.0 4.15 344 276 A 28 CYS H A 28 CYS HBy 1.0 0.0 3.08 345 277 A 28 CYS H A 14 VAL HGx% 1.0 0.0 5.45 346 278 A 27 TYR HD% A 27 TYR H 1.0 0.0 3.56 347 279 A 27 TYR H A 27 TYR HBx 1.0 0.0 3.45 348 280 A 19 VAL HGy% A 27 TYR H 1.0 0.0 3.98 349 281 A 27 TYR H A 28 CYS H 1.0 0.0 5.20 350 282 A 21 ASN HA A 27 TYR H 1.0 0.0 4.92 351 283 A 28 CYS HA A 27 TYR H 1.0 0.0 5.14 352 284 A 19 VAL HA A 27 TYR H 1.0 0.0 5.50 353 285 A 26 ALA HB% A 27 TYR H 1.0 0.0 3.66 354 286 A 38 ASN HA A 38 ASN HD21 1.0 0.0 3.78 355 287 A 38 ASN HD22 A 38 ASN HA 1.0 0.0 3.74 356 288 A 18 ARG H A 17 GLU H 1.0 0.0 3.04 357 289 A 15 ASP HA A 17 GLU H 1.0 0.0 4.03 358 290 A 17 GLU H A 17 GLU HBy 1.0 0.0 3.57 359 291 A 17 GLU H A 17 GLU HBx 1.0 0.0 3.57 360 292 A 19 VAL HGx% A 17 GLU H 1.0 0.0 5.23 361 293 A 38 ASN HD21 A 37 PRO HD2 1.0 0.0 5.29 362 293 A 37 PRO HD3 A 38 ASN HD21 1.0 0.0 5.29 363 294 A 38 ASN HD21 A 39 GLY H 1.0 0.0 5.19 364 295 A 49 CYS HBx A 9 ASP H 1.0 0.0 4.73 365 296 A 17 GLU H A 18 ARG HG2 1.0 0.0 5.09 366 296 A 18 ARG HG3 A 17 GLU H 1.0 0.0 5.09 367 297 A 18 ARG HA A 17 GLU H 1.0 0.0 5.50 368 298 A 26 ALA HA A 6 GLY H 1.0 0.0 5.50 369 299 A 28 CYS H A 6 GLY H 1.0 0.0 4.77 370 300 A 27 TYR HD% A 6 GLY H 1.0 0.0 4.19 371 301 A 27 TYR HA A 6 GLY H 1.0 0.0 3.35 372 302 A 5 CYS HA A 6 GLY H 1.0 0.0 2.95 373 303 A 6 GLY H A 25 GLU HG2 1.0 0.0 5.18 374 303 A 25 GLU HG3 A 6 GLY H 1.0 0.0 5.18 375 304 A 26 ALA HB% A 6 GLY H 1.0 0.0 4.71 376 305 A 47 CYS H A 46 ASP H 1.0 0.0 3.63 377 306 A 44 ALA HA A 46 ASP H 1.0 0.0 3.51 378 307 A 46 ASP H A 46 ASP HB2 1.0 0.0 3.51 379 307 A 46 ASP HB3 A 46 ASP H 1.0 0.0 3.51 380 308 A 44 ALA HB% A 46 ASP H 1.0 0.0 4.21 381 309 A 36 HIS H A 35 GLN H 1.0 0.0 3.33 382 310 A 35 GLN H A 35 GLN HGx 1.0 0.0 4.64 383 311 A 34 GLU HBx A 35 GLN H 1.0 0.0 4.43 384 312 A 35 GLN H A 33 ALA HB% 1.0 0.0 5.03 385 313 A 34 GLU H A 35 GLN H 1.0 0.0 3.21 386 314 A 35 GLN H A 22 HIS HD2 1.0 0.0 5.46 387 315 A 35 GLN HA A 35 GLN H 1.0 0.0 2.72 388 316 A 33 ALA HA A 35 GLN H 1.0 0.0 4.42 389 317 A 42 CYS HA A 32 CYS H 1.0 0.0 5.50 390 318 A 33 ALA HA A 32 CYS H 1.0 0.0 5.36 391 319 A 31 ALA HB% A 32 CYS H 1.0 0.0 3.22 392 320 A 21 ASN HD22 A 21 ASN HBx 1.0 0.0 3.91 393 320 A 21 ASN HBy A 21 ASN HD22 1.0 0.0 3.91 394 321 A 22 HIS HA A 21 ASN HD21 1.0 0.0 3.42 395 322 A 36 HIS H A 34 GLU H 1.0 0.0 4.60 396 323 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 4.00 397 323 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 4.00 398 324 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 4.00 399 324 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 4.00 400 325 A 34 GLU H A 37 PRO HD2 1.0 0.0 5.20 401 325 A 34 GLU H A 37 PRO HD3 1.0 0.0 5.20 402 326 A 34 GLU H A 30 GLN HA 1.0 0.0 4.75 403 327 A 34 GLU H A 34 GLU HBy 1.0 0.0 3.63 404 328 A 34 GLU H A 34 GLU HBx 1.0 0.0 3.09 405 329 A 34 GLU H A 33 ALA HB% 1.0 0.0 3.32 406 330 A 36 HIS H A 36 HIS HA 1.0 0.0 2.74 407 331 A 31 ALA HB% A 36 HIS H 1.0 0.0 4.79 408 332 A 36 HIS H A 37 PRO HD2 1.0 0.0 3.10 409 332 A 36 HIS H A 37 PRO HD3 1.0 0.0 3.10 410 333 A 36 HIS HD2 A 36 HIS H 1.0 0.0 5.23 411 334 A 36 HIS H A 34 GLU HBx 1.0 0.0 4.97 412 335 A 39 GLY H A 38 ASN HBy 1.0 0.0 5.38 413 336 A 27 TYR HA A 29 SER H 1.0 0.0 4.46 414 337 A 29 SER H A 33 ALA HB% 1.0 0.0 4.83 415 338 A 39 GLY H A 38 ASN HBx 1.0 0.0 5.38 416 339 A 25 GLU H A 24 GLY H 1.0 0.0 4.25 417 340 A 22 HIS HA A 24 GLY H 1.0 0.0 3.67 418 341 A 42 CYS HA A 36 HIS HE1 1.0 0.0 3.87 419 342 A 41 PRO HA A 36 HIS HE1 1.0 0.0 4.26 420 343 A 42 CYS H A 36 HIS HE1 1.0 0.0 3.18 421 344 A 48 HIS HE1 A 48 HIS HB2 1.0 0.0 4.64 422 344 A 48 HIS HB3 A 48 HIS HE1 1.0 0.0 4.64 423 345 A 27 TYR HD% A 28 CYS H 1.0 0.0 4.05 424 346 A 27 TYR HD% A 27 TYR HA 1.0 0.0 3.41 425 347 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 3.50 426 348 A 27 TYR HD% A 33 ALA HA 1.0 0.0 3.51 427 349 A 7 CYS H A 27 TYR HD% 1.0 0.0 3.03 428 350 A 27 TYR HD% A 33 ALA HB% 1.0 0.0 3.12 429 351 A 20 PHE HA A 20 PHE HDx 1.0 0.0 4.16 430 352 A 20 PHE HDy A 33 ALA HB% 1.0 0.0 4.43 431 353 A 20 PHE HDx A 18 ARG HG2 1.0 0.0 5.04 432 353 A 18 ARG HG3 A 20 PHE HDx 1.0 0.0 5.04 433 354 A 20 PHE HDx A 20 PHE HBx 1.0 0.0 3.49 434 355 A 20 PHE HDy A 30 GLN HB2 1.0 0.0 3.94 435 355 A 20 PHE HDy A 30 GLN HB3 1.0 0.0 3.94 436 356 A 30 GLN HA A 20 PHE HE% 1.0 0.0 4.48 437 357 A 18 ARG HA A 20 PHE HE% 1.0 0.0 4.80 438 358 A 20 PHE H A 20 PHE HE% 1.0 0.0 5.08 439 359 A 36 HIS HD2 A 35 GLN HA 1.0 0.0 3.24 440 360 A 48 HIS HA A 48 HIS HD2 1.0 0.0 4.46 441 361 A 48 HIS HD2 A 48 HIS HB2 1.0 0.0 3.06 442 361 A 48 HIS HB3 A 48 HIS HD2 1.0 0.0 3.06 443 362 A 22 HIS HBy A 22 HIS HD2 1.0 0.0 3.12 444 363 A 33 ALA HB% A 22 HIS HD2 1.0 0.0 3.88 445 364 A 22 HIS HA A 22 HIS HD2 1.0 0.0 4.53 446 365 A 11 HIS HA A 11 HIS HD2 1.0 0.0 4.04 447 366 A 7 CYS H A 27 TYR HE% 1.0 0.0 4.10 448 367 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.53 449 368 A 7 CYS HA A 27 TYR HE% 1.0 0.0 3.54 450 369 A 27 TYR HE% A 22 HIS HBy 1.0 0.0 3.29 451 370 A 27 TYR HE% A 25 GLU HBx 1.0 0.0 3.53 452 371 A 33 ALA HA A 27 TYR HE% 1.0 0.0 3.78 453 372 A 2 GLU HBx A 2 GLU HG2 1.0 0.0 2.42 454 372 A 2 GLU HBy A 2 GLU HG2 1.0 0.0 2.42 455 372 A 2 GLU HG3 A 2 GLU HBx 1.0 0.0 2.42 456 372 A 2 GLU HG3 A 2 GLU HBy 1.0 0.0 2.42 457 373 A 3 LEU H A 3 LEU HDy% 1.0 0.0 5.44 458 373 A 3 LEU H A 3 LEU HDx% 1.0 0.0 5.44 459 374 A 3 LEU HB2 A 14 VAL HGx% 1.0 0.0 3.86 460 374 A 14 VAL HGy% A 3 LEU HB2 1.0 0.0 3.86 461 374 A 3 LEU HB3 A 14 VAL HGy% 1.0 0.0 3.86 462 374 A 3 LEU HB3 A 14 VAL HGx% 1.0 0.0 3.86 463 375 A 4 ARG H A 3 LEU HDy% 1.0 0.0 4.77 464 375 A 4 ARG H A 3 LEU HDx% 1.0 0.0 4.77 465 376 A 4 ARG HA A 3 LEU HDy% 1.0 0.0 3.96 466 376 A 4 ARG HA A 3 LEU HDx% 1.0 0.0 3.96 467 377 A 3 LEU HDy% A 4 ARG HG2 1.0 0.0 5.44 468 377 A 3 LEU HDx% A 4 ARG HG2 1.0 0.0 5.44 469 377 A 4 ARG HG3 A 3 LEU HDy% 1.0 0.0 5.44 470 377 A 4 ARG HG3 A 3 LEU HDx% 1.0 0.0 5.44 471 378 A 3 LEU HDx% A 4 ARG HD2 1.0 0.0 5.44 472 378 A 3 LEU HDy% A 4 ARG HD2 1.0 0.0 5.44 473 378 A 4 ARG HD3 A 3 LEU HDy% 1.0 0.0 5.44 474 378 A 4 ARG HD3 A 3 LEU HDx% 1.0 0.0 5.44 475 379 A 14 VAL HB A 3 LEU HDy% 1.0 0.0 4.27 476 379 A 14 VAL HB A 3 LEU HDx% 1.0 0.0 4.27 477 380 A 3 LEU HDx% A 14 VAL HGx% 1.0 0.0 3.03 478 380 A 3 LEU HDy% A 14 VAL HGx% 1.0 0.0 3.03 479 380 A 14 VAL HGy% A 3 LEU HDy% 1.0 0.0 3.03 480 380 A 3 LEU HDx% A 14 VAL HGy% 1.0 0.0 3.03 481 381 A 16 PRO HA A 3 LEU HDy% 1.0 0.0 4.22 482 381 A 16 PRO HA A 3 LEU HDx% 1.0 0.0 4.22 483 382 A 3 LEU HDy% A 16 PRO HBx 1.0 0.0 4.67 484 382 A 3 LEU HDx% A 16 PRO HBx 1.0 0.0 4.67 485 382 A 16 PRO HBy A 3 LEU HDy% 1.0 0.0 4.67 486 382 A 3 LEU HDx% A 16 PRO HBy 1.0 0.0 4.67 487 383 A 19 VAL HB A 3 LEU HDy% 1.0 0.0 4.61 488 383 A 19 VAL HB A 3 LEU HDx% 1.0 0.0 4.61 489 384 A 19 VAL HGy% A 3 LEU HDy% 1.0 0.0 3.37 490 384 A 19 VAL HGy% A 3 LEU HDx% 1.0 0.0 3.37 491 385 A 26 ALA HB% A 3 LEU HDy% 1.0 0.0 2.89 492 385 A 26 ALA HB% A 3 LEU HDx% 1.0 0.0 2.89 493 386 A 5 CYS H A 14 VAL HGx% 1.0 0.0 3.80 494 386 A 5 CYS H A 14 VAL HGy% 1.0 0.0 3.80 495 387 A 5 CYS HA A 14 VAL HGx% 1.0 0.0 3.41 496 387 A 5 CYS HA A 14 VAL HGy% 1.0 0.0 3.41 497 388 A 7 CYS H A 5 CYS HBx 1.0 0.0 5.29 498 388 A 7 CYS H A 5 CYS HBy 1.0 0.0 5.29 499 389 A 5 CYS HBy A 14 VAL HGx% 1.0 0.0 3.79 500 389 A 5 CYS HBx A 14 VAL HGx% 1.0 0.0 3.79 501 389 A 14 VAL HGy% A 5 CYS HBx 1.0 0.0 3.79 502 389 A 14 VAL HGy% A 5 CYS HBy 1.0 0.0 3.79 503 390 A 27 TYR HA A 5 CYS HBx 1.0 0.0 5.15 504 390 A 27 TYR HA A 5 CYS HBy 1.0 0.0 5.15 505 391 A 28 CYS H A 5 CYS HBx 1.0 0.0 4.36 506 391 A 28 CYS H A 5 CYS HBy 1.0 0.0 4.36 507 392 A 6 GLY H A 14 VAL HGx% 1.0 0.0 5.25 508 392 A 6 GLY H A 14 VAL HGy% 1.0 0.0 5.25 509 393 A 6 GLY HAy A 25 GLU HBx 1.0 0.0 4.75 510 393 A 6 GLY HAx A 25 GLU HBx 1.0 0.0 4.75 511 393 A 25 GLU HBy A 6 GLY HAx 1.0 0.0 4.75 512 393 A 6 GLY HAy A 25 GLU HBy 1.0 0.0 4.75 513 394 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 4.14 514 394 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 4.14 515 394 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 4.14 516 394 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 4.14 517 395 A 26 ALA H A 6 GLY HAx 1.0 0.0 4.77 518 395 A 26 ALA H A 6 GLY HAy 1.0 0.0 4.77 519 396 A 26 ALA HB% A 6 GLY HAx 1.0 0.0 5.32 520 396 A 26 ALA HB% A 6 GLY HAy 1.0 0.0 5.32 521 397 A 27 TYR HD% A 6 GLY HAx 1.0 0.0 4.30 522 397 A 27 TYR HD% A 6 GLY HAy 1.0 0.0 4.30 523 398 A 27 TYR HE% A 6 GLY HAx 1.0 0.0 4.50 524 398 A 27 TYR HE% A 6 GLY HAy 1.0 0.0 4.50 525 399 A 9 ASP H A 8 PRO HBx 1.0 0.0 4.10 526 399 A 9 ASP H A 8 PRO HBy 1.0 0.0 4.10 527 400 A 9 ASP H A 9 ASP HBy 1.0 0.0 2.98 528 400 A 9 ASP H A 9 ASP HBx 1.0 0.0 2.98 529 401 A 9 ASP H A 10 CYS HBx 1.0 0.0 5.34 530 401 A 9 ASP H A 10 CYS HBy 1.0 0.0 5.34 531 402 A 49 CYS HA A 9 ASP HBy 1.0 0.0 3.92 532 402 A 49 CYS HA A 9 ASP HBx 1.0 0.0 3.92 533 403 A 10 CYS H A 10 CYS HBx 1.0 0.0 2.93 534 403 A 10 CYS H A 10 CYS HBy 1.0 0.0 2.93 535 404 A 11 HIS HD2 A 11 HIS HBx 1.0 0.0 3.30 536 404 A 11 HIS HD2 A 11 HIS HBy 1.0 0.0 3.30 537 405 A 12 CYS H A 12 CYS HBx 1.0 0.0 2.99 538 405 A 12 CYS H A 12 CYS HBy 1.0 0.0 2.99 539 406 A 13 LYS H A 12 CYS HBx 1.0 0.0 3.47 540 406 A 13 LYS H A 12 CYS HBy 1.0 0.0 3.47 541 407 A 13 LYS H A 13 LYS HGx 1.0 0.0 3.83 542 407 A 13 LYS H A 13 LYS HGy 1.0 0.0 3.83 543 408 A 13 LYS H A 13 LYS HDy 1.0 0.0 5.20 544 408 A 13 LYS H A 13 LYS HDx 1.0 0.0 5.20 545 409 A 13 LYS HA A 13 LYS HDy 1.0 0.0 4.43 546 409 A 13 LYS HA A 13 LYS HDx 1.0 0.0 4.43 547 410 A 13 LYS HA A 14 VAL HGx% 1.0 0.0 4.44 548 410 A 13 LYS HA A 14 VAL HGy% 1.0 0.0 4.44 549 411 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.04 550 411 A 14 VAL H A 14 VAL HGy% 1.0 0.0 3.04 551 412 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 2.86 552 412 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 2.86 553 413 A 15 ASP H A 14 VAL HGx% 1.0 0.0 3.52 554 413 A 15 ASP H A 14 VAL HGy% 1.0 0.0 3.52 555 414 A 19 VAL HB A 14 VAL HGx% 1.0 0.0 4.49 556 414 A 19 VAL HB A 14 VAL HGy% 1.0 0.0 4.49 557 415 A 20 PHE H A 14 VAL HGx% 1.0 0.0 4.47 558 415 A 20 PHE H A 14 VAL HGy% 1.0 0.0 4.47 559 416 A 26 ALA HB% A 14 VAL HGx% 1.0 0.0 3.40 560 416 A 26 ALA HB% A 14 VAL HGy% 1.0 0.0 3.40 561 417 A 27 TYR HA A 14 VAL HGx% 1.0 0.0 4.29 562 417 A 27 TYR HA A 14 VAL HGy% 1.0 0.0 4.29 563 418 A 28 CYS H A 14 VAL HGx% 1.0 0.0 4.14 564 418 A 28 CYS H A 14 VAL HGy% 1.0 0.0 4.14 565 419 A 28 CYS HBx A 14 VAL HGx% 1.0 0.0 3.95 566 419 A 28 CYS HBx A 14 VAL HGy% 1.0 0.0 3.95 567 420 A 28 CYS HBy A 14 VAL HGx% 1.0 0.0 3.78 568 420 A 28 CYS HBy A 14 VAL HGy% 1.0 0.0 3.78 569 421 A 15 ASP H A 16 PRO HDy 1.0 0.0 5.35 570 421 A 15 ASP H A 16 PRO HDx 1.0 0.0 5.35 571 422 A 15 ASP HBx A 16 PRO HDy 1.0 0.0 5.06 572 422 A 15 ASP HBx A 16 PRO HDx 1.0 0.0 5.06 573 423 A 15 ASP HBx A 18 ARG HBx 1.0 0.0 4.65 574 423 A 15 ASP HBx A 18 ARG HBy 1.0 0.0 4.65 575 424 A 15 ASP HBy A 16 PRO HDy 1.0 0.0 4.45 576 424 A 15 ASP HBy A 16 PRO HDx 1.0 0.0 4.45 577 425 A 19 VAL HGy% A 16 PRO HBx 1.0 0.0 5.04 578 425 A 19 VAL HGy% A 16 PRO HBy 1.0 0.0 5.04 579 426 A 17 GLU H A 16 PRO HGx 1.0 0.0 5.02 580 426 A 17 GLU H A 16 PRO HGy 1.0 0.0 5.02 581 427 A 17 GLU H A 16 PRO HDy 1.0 0.0 3.60 582 427 A 17 GLU H A 16 PRO HDx 1.0 0.0 3.60 583 428 A 17 GLU H A 17 GLU HBx 1.0 0.0 2.87 584 428 A 17 GLU H A 17 GLU HBy 1.0 0.0 2.87 585 429 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.50 586 429 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.50 587 430 A 18 ARG HBy A 18 ARG HD2 1.0 0.0 3.58 588 430 A 18 ARG HBx A 18 ARG HD2 1.0 0.0 3.58 589 430 A 18 ARG HD3 A 18 ARG HBx 1.0 0.0 3.58 590 430 A 18 ARG HD3 A 18 ARG HBy 1.0 0.0 3.58 591 431 A 20 PHE HE% A 18 ARG HBx 1.0 0.0 4.98 592 431 A 20 PHE HE% A 18 ARG HBy 1.0 0.0 4.98 593 432 A 19 VAL HGx% A 21 ASN HBx 1.0 0.0 5.27 594 432 A 19 VAL HGx% A 21 ASN HBy 1.0 0.0 5.27 595 433 A 20 PHE HA A 21 ASN HBx 1.0 0.0 5.09 596 433 A 20 PHE HA A 21 ASN HBy 1.0 0.0 5.09 597 434 A 22 HIS HA A 21 ASN HBx 1.0 0.0 4.86 598 434 A 22 HIS HA A 21 ASN HBy 1.0 0.0 4.86 599 435 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.66 600 435 A 25 GLU H A 25 GLU HBy 1.0 0.0 3.66 601 436 A 26 ALA H A 25 GLU HBx 1.0 0.0 3.94 602 436 A 26 ALA H A 25 GLU HBy 1.0 0.0 3.94 603 437 A 27 TYR HE% A 25 GLU HBx 1.0 0.0 3.04 604 437 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.04 605 438 A 27 TYR HBx A 32 CYS HBx 1.0 0.0 3.90 606 438 A 27 TYR HBx A 32 CYS HBy 1.0 0.0 3.90 607 439 A 27 TYR HBy A 32 CYS HBx 1.0 0.0 4.54 608 439 A 27 TYR HBy A 32 CYS HBy 1.0 0.0 4.54 609 440 A 27 TYR HD% A 32 CYS HBx 1.0 0.0 3.38 610 440 A 27 TYR HD% A 32 CYS HBy 1.0 0.0 3.38 611 441 A 27 TYR HD% A 35 GLN HE22 1.0 0.0 5.27 612 441 A 27 TYR HD% A 35 GLN HE21 1.0 0.0 5.27 613 442 A 27 TYR HE% A 35 GLN HE22 1.0 0.0 3.57 614 442 A 27 TYR HE% A 35 GLN HE21 1.0 0.0 3.57 615 443 A 28 CYS H A 32 CYS HBx 1.0 0.0 4.57 616 443 A 28 CYS H A 32 CYS HBy 1.0 0.0 4.57 617 444 A 29 SER H A 32 CYS HBx 1.0 0.0 3.74 618 444 A 29 SER H A 32 CYS HBy 1.0 0.0 3.74 619 445 A 31 ALA H A 29 SER HBx 1.0 0.0 4.41 620 445 A 31 ALA H A 29 SER HBy 1.0 0.0 4.41 621 446 A 31 ALA HB% A 29 SER HBx 1.0 0.0 4.80 622 446 A 31 ALA HB% A 29 SER HBy 1.0 0.0 4.80 623 447 A 42 CYS HA A 29 SER HBx 1.0 0.0 5.34 624 447 A 42 CYS HA A 29 SER HBy 1.0 0.0 5.34 625 448 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 3.15 626 448 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 3.15 627 448 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 3.15 628 448 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 3.15 629 449 A 31 ALA HA A 40 GLU HGx 1.0 0.0 5.19 630 449 A 31 ALA HA A 40 GLU HGy 1.0 0.0 5.19 631 450 A 31 ALA HB% A 40 GLU HBx 1.0 0.0 3.84 632 450 A 31 ALA HB% A 40 GLU HBy 1.0 0.0 3.84 633 451 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 3.42 634 451 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 3.42 635 452 A 32 CYS H A 32 CYS HBx 1.0 0.0 3.07 636 452 A 32 CYS H A 32 CYS HBy 1.0 0.0 3.07 637 453 A 33 ALA H A 32 CYS HBx 1.0 0.0 3.85 638 453 A 33 ALA H A 32 CYS HBy 1.0 0.0 3.85 639 454 A 33 ALA HA A 34 GLU HGx 1.0 0.0 5.34 640 454 A 33 ALA HA A 34 GLU HGy 1.0 0.0 5.34 641 455 A 33 ALA HB% A 34 GLU HGx 1.0 0.0 4.24 642 455 A 33 ALA HB% A 34 GLU HGy 1.0 0.0 4.24 643 456 A 34 GLU H A 34 GLU HGx 1.0 0.0 3.26 644 456 A 34 GLU H A 34 GLU HGy 1.0 0.0 3.26 645 457 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.29 646 457 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.29 647 458 A 34 GLU HA A 35 GLN HBx 1.0 0.0 5.34 648 458 A 34 GLU HA A 35 GLN HBy 1.0 0.0 5.34 649 459 A 34 GLU HA A 35 GLN HGx 1.0 0.0 5.34 650 459 A 34 GLU HA A 35 GLN HGy 1.0 0.0 5.34 651 460 A 34 GLU HA A 35 GLN HE22 1.0 0.0 5.34 652 460 A 34 GLU HA A 35 GLN HE21 1.0 0.0 5.34 653 461 A 35 GLN H A 35 GLN HBx 1.0 0.0 3.64 654 461 A 35 GLN H A 35 GLN HBy 1.0 0.0 3.64 655 462 A 35 GLN H A 35 GLN HGx 1.0 0.0 3.94 656 462 A 35 GLN H A 35 GLN HGy 1.0 0.0 3.94 657 463 A 36 HIS HD2 A 36 HIS HBx 1.0 0.0 3.33 658 463 A 36 HIS HD2 A 36 HIS HBy 1.0 0.0 3.33 659 464 A 39 GLY H A 36 HIS HBx 1.0 0.0 4.14 660 464 A 39 GLY H A 36 HIS HBy 1.0 0.0 4.14 661 465 A 36 HIS HBy A 39 GLY HAx 1.0 0.0 4.25 662 465 A 36 HIS HBx A 39 GLY HAx 1.0 0.0 4.25 663 465 A 39 GLY HAy A 36 HIS HBx 1.0 0.0 4.25 664 465 A 36 HIS HBy A 39 GLY HAy 1.0 0.0 4.25 665 466 A 36 HIS HE1 A 42 CYS HBx 1.0 0.0 2.74 666 466 A 36 HIS HE1 A 42 CYS HBy 1.0 0.0 2.74 667 467 A 38 ASN HD22 A 37 PRO HBx 1.0 0.0 4.71 668 467 A 38 ASN HD22 A 37 PRO HBy 1.0 0.0 4.71 669 468 A 40 GLU HA A 38 ASN HBx 1.0 0.0 5.34 670 468 A 40 GLU HA A 38 ASN HBy 1.0 0.0 5.34 671 469 A 38 ASN HBx A 40 GLU HBx 1.0 0.0 5.05 672 469 A 38 ASN HBy A 40 GLU HBx 1.0 0.0 5.05 673 469 A 40 GLU HBy A 38 ASN HBx 1.0 0.0 5.05 674 469 A 40 GLU HBy A 38 ASN HBy 1.0 0.0 5.05 675 470 A 39 GLY H A 40 GLU HBx 1.0 0.0 5.34 676 470 A 39 GLY H A 40 GLU HBy 1.0 0.0 5.34 677 471 A 39 GLY HAy A 40 GLU HGx 1.0 0.0 5.18 678 471 A 39 GLY HAx A 40 GLU HGx 1.0 0.0 5.18 679 471 A 40 GLU HGy A 39 GLY HAx 1.0 0.0 5.18 680 471 A 40 GLU HGy A 39 GLY HAy 1.0 0.0 5.18 681 472 A 40 GLU HA A 40 GLU HGx 1.0 0.0 3.53 682 472 A 40 GLU HA A 40 GLU HGy 1.0 0.0 3.53 683 473 A 40 GLU HA A 41 PRO HDy 1.0 0.0 2.75 684 473 A 40 GLU HA A 41 PRO HDx 1.0 0.0 2.75 685 474 A 40 GLU HBy A 41 PRO HDy 1.0 0.0 4.45 686 474 A 40 GLU HBx A 41 PRO HDy 1.0 0.0 4.45 687 474 A 41 PRO HDx A 40 GLU HBx 1.0 0.0 4.45 688 474 A 40 GLU HBy A 41 PRO HDx 1.0 0.0 4.45 689 475 A 40 GLU HGx A 41 PRO HDy 1.0 0.0 4.70 690 475 A 40 GLU HGy A 41 PRO HDy 1.0 0.0 4.70 691 475 A 41 PRO HDx A 40 GLU HGx 1.0 0.0 4.70 692 475 A 40 GLU HGy A 41 PRO HDx 1.0 0.0 4.70 693 476 A 42 CYS H A 42 CYS HBx 1.0 0.0 3.30 694 476 A 42 CYS H A 42 CYS HBy 1.0 0.0 3.30 695 477 A 44 ALA H A 42 CYS HBx 1.0 0.0 4.59 696 477 A 44 ALA H A 42 CYS HBy 1.0 0.0 4.59 697 478 A 44 ALA HB% A 42 CYS HBx 1.0 0.0 4.23 698 478 A 44 ALA HB% A 42 CYS HBy 1.0 0.0 4.23 699 479 A 44 ALA HB% A 43 PRO HBx 1.0 0.0 5.18 700 479 A 44 ALA HB% A 43 PRO HBy 1.0 0.0 5.18 701 480 A 44 ALA H A 43 PRO HDy 1.0 0.0 4.38 702 480 A 44 ALA H A 43 PRO HDx 1.0 0.0 4.38 703 481 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 3.69 704 481 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 3.69 705 482 A 46 ASP H A 45 PRO HDy 1.0 0.0 4.61 706 482 A 46 ASP H A 45 PRO HDx 1.0 0.0 4.61 707 483 A 47 CYS H A 47 CYS HBx 1.0 0.0 3.19 708 483 A 47 CYS H A 47 CYS HBy 1.0 0.0 3.19 709 484 A 49 CYS H A 50 GLU HBx 1.0 0.0 5.34 710 484 A 49 CYS H A 50 GLU HBy 1.0 0.0 5.34 711 485 A 50 GLU H A 50 GLU HBx 1.0 0.0 3.63 712 485 A 50 GLU H A 50 GLU HBy 1.0 0.0 3.63 713 486 A 50 GLU H A 50 GLU HGx 1.0 0.0 4.62 714 486 A 50 GLU H A 50 GLU HGy 1.0 0.0 4.62 715 487 A 51 ARG H A 50 GLU HGx 1.0 0.0 4.79 716 487 A 51 ARG H A 50 GLU HGy 1.0 0.0 4.79 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 2 GLU C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -103.0 -57.2 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ARG N 1.0 114.9 157.5 PSI 3 3 A 3 LEU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -133.9 -46.7 PHI 4 4 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 124.2 165.0 PSI 5 5 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -82.6 -42.6 PHI 6 6 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 GLY N 1.0 119.4 159.4 PSI 7 7 A 6 GLY C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -164.0 -27.6 PHI 8 8 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 PRO N 1.0 94.3 183.5 PSI 9 9 A 9 ASP C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -165.1 -57.3 PHI 10 10 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 HIS N 1.0 117.0 167.4 PSI 11 11 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -109.8 -57.4 PHI 12 12 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 113.0 153.0 PSI 13 13 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -123.9 -56.9 PHI 14 14 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 95.3 135.3 PSI 15 15 A 16 PRO C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -95.0 -55.0 PHI 16 16 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 -34.2 5.8 PSI 17 17 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -123.1 -59.7 PHI 18 18 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 PHE N 1.0 109.1 153.3 PSI 19 19 A 19 VAL C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -127.4 -77.6 PHI 20 20 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 ASN N 1.0 109.4 149.6 PSI 21 21 A 20 PHE C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -144.2 -78.6 PHI 22 22 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 103.0 158.4 PSI 23 23 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -166.5 -126.5 PHI 24 24 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASP N 1.0 109.7 149.7 PSI 25 25 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 33.3 73.3 PHI 26 26 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLY N 1.0 20.9 60.9 PSI 27 27 A 23 ASP C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 56.8 96.8 PHI 28 28 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 GLU N 1.0 -10.8 29.2 PSI 29 29 A 24 GLY C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -143.2 -103.2 PHI 30 30 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 127.8 167.8 PSI 31 31 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -138.1 -65.3 PHI 32 32 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 112.8 160.4 PSI 33 33 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -150.4 -110.2 PHI 34 34 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 130.1 170.1 PSI 35 35 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -176.6 -136.6 PHI 36 36 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 146.3 186.3 PSI 37 37 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.6 -44.6 PHI 38 38 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 ALA N 1.0 -56.2 -16.2 PSI 39 39 A 30 GLN C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -81.6 -41.6 PHI 40 40 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 CYS N 1.0 -61.2 -21.2 PSI 41 41 A 31 ALA C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -85.8 -45.8 PHI 42 42 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ALA N 1.0 -56.9 -16.9 PSI 43 43 A 32 CYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -84.3 -44.3 PHI 44 44 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 GLU N 1.0 -53.5 -13.5 PSI 45 45 A 33 ALA C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -111.7 -71.7 PHI 46 46 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLN N 1.0 -17.7 22.3 PSI 47 47 A 34 GLU C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 37.8 77.8 PHI 48 48 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 HIS N 1.0 19.5 59.7 PSI 49 49 A 37 PRO C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -131.3 -69.1 PHI 50 50 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 GLY N 1.0 -36.5 28.9 PSI 51 51 A 38 ASN C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 61.4 101.4 PHI 52 52 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 GLU N 1.0 -6.5 33.5 PSI 53 53 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -108.3 -63.7 PHI 54 54 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PRO N 1.0 112.6 157.8 PSI 55 55 A 41 PRO C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -172.3 -32.3 PHI 56 56 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 PRO N 1.0 114.6 180.8 PSI 57 57 A 43 PRO C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -152.0 -42.4 PHI 58 58 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PRO N 1.0 99.0 189.4 PSI 59 59 A 45 PRO C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -111.5 -69.7 PHI 60 60 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 CYS N 1.0 -24.2 22.8 PSI 61 61 A 46 ASP C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -94.7 -53.3 PHI 62 62 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 HIS N 1.0 115.1 157.5 PSI 63 63 A 48 HIS C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -157.0 -17.0 PHI 64 64 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 GLU N 1.0 121.6 170.2 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 . . 29.9996 . . . . 3 ppm . . 13.9767 . . . . 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 . . 11.0 . . . . 2 ppm . . 70.0 . . . . 3 ppm . . 20.0243 . . . . 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 . . 30 . . . . 3 ppm . . 13.9767 . . . . stop_ save_