data_nef_c34289_6gv7 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 6GV7 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 4 CD CD 1 10 CYS SG 2 2 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 3 CD CD 1 42 CYS SG 2 2 CD CD 1 44 HIS ND1 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 HIS middle -HD1 . 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 3.814 0.020 A 1 ASN HBx H 1 2.548 0.020 A 1 ASN HBy H 1 2.657 0.020 A 1 ASN HD21 H 1 7.590 0.020 A 1 ASN HD22 H 1 6.851 0.020 A 1 ASN CA C 13 54.143 0.3 A 1 ASN CB C 13 41.633 0.3 A 1 ASN ND2 N 15 113.191 0.3 A 2 GLU HA H 1 4.277 0.020 A 2 GLU HB2 H 1 1.860 0.020 A 2 GLU HB3 H 1 1.860 0.020 A 2 GLU HGx H 1 2.177 0.020 A 2 GLU HGy H 1 2.206 0.020 A 2 GLU C C 13 175.747 0.3 A 2 GLU CA C 13 56.296 0.3 A 2 GLU CB C 13 30.745 0.3 A 2 GLU CG C 13 36.375 0.3 A 3 LEU H H 1 8.512 0.020 A 3 LEU HA H 1 4.397 0.020 A 3 LEU HB2 H 1 1.507 0.020 A 3 LEU HB3 H 1 1.507 0.020 A 3 LEU HDx% H 1 0.742 0.020 A 3 LEU HDy% H 1 0.807 0.020 A 3 LEU HG H 1 1.477 0.020 A 3 LEU C C 13 175.937 0.3 A 3 LEU CA C 13 54.382 0.3 A 3 LEU CB C 13 42.925 0.3 A 3 LEU CD1 C 13 23.850 0.3 A 3 LEU CD2 C 13 24.409 0.3 A 3 LEU CG C 13 26.793 0.3 A 3 LEU N N 15 124.125 0.3 A 4 ARG H H 1 8.288 0.020 A 4 ARG HA H 1 4.433 0.020 A 4 ARG HB2 H 1 1.729 0.020 A 4 ARG HB3 H 1 1.729 0.020 A 4 ARG HD2 H 1 3.135 0.020 A 4 ARG HD3 H 1 3.135 0.020 A 4 ARG HG2 H 1 1.658 0.020 A 4 ARG HG3 H 1 1.658 0.020 A 4 ARG C C 13 174.809 0.3 A 4 ARG CA C 13 54.930 0.3 A 4 ARG CB C 13 31.211 0.3 A 4 ARG CD C 13 43.243 0.3 A 4 ARG CG C 13 26.884 0.3 A 4 ARG N N 15 122.957 0.3 A 5 CYS H H 1 8.299 0.020 A 5 CYS HA H 1 3.820 0.020 A 5 CYS HBx H 1 2.849 0.020 A 5 CYS HBy H 1 3.051 0.020 A 5 CYS C C 13 174.832 0.3 A 5 CYS CA C 13 60.660 0.3 A 5 CYS CB C 13 29.448 0.3 A 5 CYS N N 15 122.626 0.3 A 6 GLY H H 1 8.384 0.020 A 6 GLY HAx H 1 3.013 0.020 A 6 GLY HAy H 1 3.866 0.020 A 6 GLY C C 13 174.070 0.3 A 6 GLY CA C 13 46.489 0.3 A 6 GLY N N 15 114.885 0.3 A 7 CYS H H 1 8.496 0.020 A 7 CYS HA H 1 5.066 0.020 A 7 CYS HBx H 1 3.116 0.020 A 7 CYS HBy H 1 3.612 0.020 A 7 CYS C C 13 175.215 0.3 A 7 CYS CA C 13 56.958 0.3 A 7 CYS CB C 13 29.863 0.3 A 7 CYS N N 15 127.360 0.3 A 8 PRO HA H 1 4.387 0.020 A 8 PRO HBx H 1 2.007 0.020 A 8 PRO HBy H 1 2.376 0.020 A 8 PRO HDx H 1 4.166 0.020 A 8 PRO HDy H 1 4.232 0.020 A 8 PRO HG2 H 1 2.105 0.020 A 8 PRO HG3 H 1 2.105 0.020 A 8 PRO C C 13 177.107 0.3 A 8 PRO CA C 13 65.006 0.3 A 8 PRO CB C 13 32.297 0.3 A 8 PRO CD C 13 51.661 0.3 A 8 PRO CG C 13 27.269 0.3 A 9 ASP H H 1 7.512 0.020 A 9 ASP HA H 1 4.775 0.020 A 9 ASP HBx H 1 2.357 0.020 A 9 ASP HBy H 1 2.821 0.020 A 9 ASP C C 13 173.260 0.3 A 9 ASP CA C 13 54.088 0.3 A 9 ASP CB C 13 42.123 0.3 A 9 ASP N N 15 115.939 0.3 A 10 CYS H H 1 7.809 0.020 A 10 CYS HA H 1 4.157 0.020 A 10 CYS HBx H 1 3.345 0.020 A 10 CYS HBy H 1 3.508 0.020 A 10 CYS C C 13 174.166 0.3 A 10 CYS CA C 13 58.323 0.3 A 10 CYS CB C 13 32.591 0.3 A 10 CYS N N 15 121.677 0.3 A 11 HIS H H 1 8.382 0.020 A 11 HIS HA H 1 4.874 0.020 A 11 HIS HBx H 1 3.178 0.020 A 11 HIS HBy H 1 3.236 0.020 A 11 HIS HD2 H 1 7.081 0.020 A 11 HIS HE1 H 1 7.809 0.020 A 11 HIS C C 13 175.283 0.3 A 11 HIS CA C 13 55.741 0.3 A 11 HIS CB C 13 30.911 0.3 A 11 HIS CD2 C 13 119.263 0.3 A 11 HIS CE1 C 13 138.472 0.3 A 11 HIS N N 15 128.420 0.3 A 11 HIS ND1 N 15 222.254 0.3 A 11 HIS NE2 N 15 175.150 0.3 A 12 CYS H H 1 8.414 0.020 A 12 CYS HA H 1 3.928 0.020 A 12 CYS HBx H 1 2.734 0.020 A 12 CYS HBy H 1 3.040 0.020 A 12 CYS C C 13 175.127 0.3 A 12 CYS CA C 13 61.866 0.3 A 12 CYS CB C 13 31.228 0.3 A 12 CYS N N 15 122.815 0.3 A 13 LYS H H 1 8.529 0.020 A 13 LYS HA H 1 4.602 0.020 A 13 LYS HB2 H 1 1.640 0.020 A 13 LYS HB3 H 1 1.640 0.020 A 13 LYS HDx H 1 1.522 0.020 A 13 LYS HDy H 1 1.574 0.020 A 13 LYS HE2 H 1 2.938 0.020 A 13 LYS HE3 H 1 2.938 0.020 A 13 LYS HGx H 1 1.328 0.020 A 13 LYS HGy H 1 1.430 0.020 A 13 LYS C C 13 176.534 0.3 A 13 LYS CA C 13 54.932 0.3 A 13 LYS CB C 13 32.534 0.3 A 13 LYS CD C 13 28.539 0.3 A 13 LYS CE C 13 42.155 0.3 A 13 LYS CG C 13 24.966 0.3 A 13 LYS N N 15 122.189 0.3 A 14 VAL H H 1 8.416 0.020 A 14 VAL HA H 1 3.825 0.020 A 14 VAL HB H 1 1.672 0.020 A 14 VAL HGx% H 1 0.465 0.020 A 14 VAL HGy% H 1 0.673 0.020 A 14 VAL C C 13 174.678 0.3 A 14 VAL CA C 13 61.461 0.3 A 14 VAL CB C 13 32.857 0.3 A 14 VAL CG1 C 13 20.259 0.3 A 14 VAL CG2 C 13 21.770 0.3 A 14 VAL N N 15 121.919 0.3 A 15 ASP H H 1 8.655 0.020 A 15 ASP HA H 1 4.774 0.020 A 15 ASP HBx H 1 2.610 0.020 A 15 ASP HBy H 1 2.779 0.020 A 15 ASP C C 13 175.652 0.3 A 15 ASP CA C 13 51.245 0.3 A 15 ASP CB C 13 41.847 0.3 A 15 ASP N N 15 128.965 0.3 A 16 PRO HA H 1 4.074 0.020 A 16 PRO HBx H 1 1.975 0.020 A 16 PRO HBy H 1 2.293 0.020 A 16 PRO HDx H 1 3.869 0.020 A 16 PRO HDy H 1 3.934 0.020 A 16 PRO HG2 H 1 2.032 0.020 A 16 PRO HG3 H 1 2.032 0.020 A 16 PRO C C 13 178.022 0.3 A 16 PRO CA C 13 64.661 0.3 A 16 PRO CB C 13 32.146 0.3 A 16 PRO CD C 13 50.836 0.3 A 16 PRO CG C 13 27.332 0.3 A 17 GLU H H 1 8.493 0.020 A 17 GLU HA H 1 4.231 0.020 A 17 GLU HBx H 1 1.936 0.020 A 17 GLU HBy H 1 2.121 0.020 A 17 GLU HGx H 1 2.207 0.020 A 17 GLU HGy H 1 2.304 0.020 A 17 GLU C C 13 177.031 0.3 A 17 GLU CA C 13 57.084 0.3 A 17 GLU CB C 13 29.870 0.3 A 17 GLU CG C 13 36.673 0.3 A 17 GLU N N 15 115.471 0.3 A 18 ARG H H 1 8.106 0.020 A 18 ARG HA H 1 4.493 0.020 A 18 ARG HBx H 1 1.581 0.020 A 18 ARG HBy H 1 2.063 0.020 A 18 ARG HD2 H 1 3.239 0.020 A 18 ARG HD3 H 1 3.239 0.020 A 18 ARG HG2 H 1 1.533 0.020 A 18 ARG HG3 H 1 1.533 0.020 A 18 ARG C C 13 174.550 0.3 A 18 ARG CA C 13 54.574 0.3 A 18 ARG CB C 13 30.924 0.3 A 18 ARG CD C 13 43.234 0.3 A 18 ARG CG C 13 27.269 0.3 A 18 ARG N N 15 120.486 0.3 A 19 VAL H H 1 7.429 0.020 A 19 VAL HA H 1 3.901 0.020 A 19 VAL HB H 1 1.911 0.020 A 19 VAL HGx% H 1 0.796 0.020 A 19 VAL HGy% H 1 0.872 0.020 A 19 VAL C C 13 174.660 0.3 A 19 VAL CA C 13 62.272 0.3 A 19 VAL CB C 13 33.042 0.3 A 19 VAL CG1 C 13 20.735 0.3 A 19 VAL CG2 C 13 22.240 0.3 A 19 VAL N N 15 120.825 0.3 A 20 PHE H H 1 8.241 0.020 A 20 PHE HA H 1 4.580 0.020 A 20 PHE HBx H 1 2.713 0.020 A 20 PHE HBy H 1 2.842 0.020 A 20 PHE HDx H 1 7.109 0.020 A 20 PHE HDy H 1 7.251 0.020 A 20 PHE HE1 H 1 7.295 0.020 A 20 PHE HE2 H 1 7.295 0.020 A 20 PHE C C 13 174.775 0.3 A 20 PHE CA C 13 57.254 0.3 A 20 PHE CB C 13 39.423 0.3 A 20 PHE CD1 C 13 131.755 0.3 A 20 PHE CD2 C 13 131.418 0.3 A 20 PHE CE1 C 13 129.972 0.3 A 20 PHE CE2 C 13 129.972 0.3 A 20 PHE N N 15 126.448 0.3 A 21 ASN H H 1 8.548 0.020 A 21 ASN HA H 1 5.488 0.020 A 21 ASN HBx H 1 2.526 0.020 A 21 ASN HBy H 1 2.610 0.020 A 21 ASN HD21 H 1 7.272 0.020 A 21 ASN HD22 H 1 6.649 0.020 A 21 ASN C C 13 175.276 0.3 A 21 ASN CA C 13 52.896 0.3 A 21 ASN CB C 13 40.643 0.3 A 21 ASN N N 15 124.877 0.3 A 21 ASN ND2 N 15 112.064 0.3 A 22 HIS H H 1 9.009 0.020 A 22 HIS HA H 1 4.724 0.020 A 22 HIS HBx H 1 3.009 0.020 A 22 HIS HBy H 1 3.123 0.020 A 22 HIS HD2 H 1 6.958 0.020 A 22 HIS HE1 H 1 7.771 0.020 A 22 HIS C C 13 174.858 0.3 A 22 HIS CA C 13 57.154 0.3 A 22 HIS CB C 13 33.328 0.3 A 22 HIS CD2 C 13 119.738 0.3 A 22 HIS CE1 C 13 138.944 0.3 A 22 HIS N N 15 121.869 0.3 A 22 HIS ND1 N 15 223.433 0.3 A 22 HIS NE2 N 15 175.905 0.3 A 23 ASP HA H 1 4.165 0.020 A 23 ASP HBx H 1 2.073 0.020 A 23 ASP HBy H 1 2.875 0.020 A 23 ASP C C 13 175.325 0.3 A 23 ASP CA C 13 54.875 0.3 A 23 ASP CB C 13 39.667 0.3 A 24 GLY H H 1 8.443 0.020 A 24 GLY HAx H 1 3.591 0.020 A 24 GLY HAy H 1 4.110 0.020 A 24 GLY C C 13 173.734 0.3 A 24 GLY CA C 13 45.270 0.3 A 24 GLY N N 15 104.201 0.3 A 25 GLU H H 1 7.875 0.020 A 25 GLU HA H 1 4.596 0.020 A 25 GLU HBx H 1 1.852 0.020 A 25 GLU HBy H 1 1.955 0.020 A 25 GLU HG2 H 1 2.148 0.020 A 25 GLU HG3 H 1 2.148 0.020 A 25 GLU C C 13 173.602 0.3 A 25 GLU CA C 13 54.117 0.3 A 25 GLU CB C 13 32.572 0.3 A 25 GLU CG C 13 35.862 0.3 A 25 GLU N N 15 120.794 0.3 A 26 ALA H H 1 8.450 0.020 A 26 ALA HA H 1 4.669 0.020 A 26 ALA HB% H 1 1.208 0.020 A 26 ALA C C 13 176.620 0.3 A 26 ALA CA C 13 51.332 0.3 A 26 ALA CB C 13 21.442 0.3 A 26 ALA N N 15 124.691 0.3 A 27 TYR H H 1 8.694 0.020 A 27 TYR HA H 1 5.814 0.020 A 27 TYR HBx H 1 3.014 0.020 A 27 TYR HBy H 1 3.091 0.020 A 27 TYR HD1 H 1 7.200 0.020 A 27 TYR HD2 H 1 7.200 0.020 A 27 TYR HE1 H 1 6.862 0.020 A 27 TYR HE2 H 1 6.862 0.020 A 27 TYR C C 13 176.357 0.3 A 27 TYR CA C 13 56.283 0.3 A 27 TYR CB C 13 43.271 0.3 A 27 TYR CD1 C 13 133.801 0.3 A 27 TYR CD2 C 13 133.801 0.3 A 27 TYR CE1 C 13 118.523 0.3 A 27 TYR N N 15 116.093 0.3 A 28 CYS H H 1 9.880 0.020 A 28 CYS HA H 1 4.913 0.020 A 28 CYS HBx H 1 2.840 0.020 A 28 CYS HBy H 1 3.862 0.020 A 28 CYS C C 13 173.499 0.3 A 28 CYS CA C 13 58.199 0.3 A 28 CYS CB C 13 32.027 0.3 A 28 CYS N N 15 117.728 0.3 A 29 SER H H 1 7.343 0.020 A 29 SER HA H 1 4.283 0.020 A 29 SER HBx H 1 4.001 0.020 A 29 SER HBy H 1 4.178 0.020 A 29 SER C C 13 172.372 0.3 A 29 SER CA C 13 57.070 0.3 A 29 SER CB C 13 64.817 0.3 A 29 SER N N 15 109.339 0.3 A 30 GLN HA H 1 2.950 0.020 A 30 GLN HB2 H 1 1.526 0.020 A 30 GLN HB3 H 1 1.526 0.020 A 30 GLN HE21 H 1 7.803 0.020 A 30 GLN HE22 H 1 6.623 0.020 A 30 GLN HG2 H 1 1.917 0.020 A 30 GLN HG3 H 1 1.917 0.020 A 30 GLN C C 13 176.687 0.3 A 30 GLN CA C 13 58.154 0.3 A 30 GLN CB C 13 27.377 0.3 A 30 GLN CG C 13 32.299 0.3 A 30 GLN NE2 N 15 111.704 0.3 A 31 ALA H H 1 8.142 0.020 A 31 ALA HA H 1 3.729 0.020 A 31 ALA HB% H 1 0.980 0.020 A 31 ALA C C 13 179.225 0.3 A 31 ALA CA C 13 55.089 0.3 A 31 ALA CB C 13 18.510 0.3 A 31 ALA N N 15 119.379 0.3 A 32 CYS H H 1 6.819 0.020 A 32 CYS HA H 1 3.606 0.020 A 32 CYS HBx H 1 2.739 0.020 A 32 CYS HBy H 1 3.253 0.020 A 32 CYS C C 13 176.400 0.3 A 32 CYS CA C 13 63.109 0.3 A 32 CYS CB C 13 32.266 0.3 A 32 CYS N N 15 112.346 0.3 A 33 ALA H H 1 7.110 0.020 A 33 ALA HA H 1 1.846 0.020 A 33 ALA HB% H 1 0.851 0.020 A 33 ALA C C 13 177.611 0.3 A 33 ALA CA C 13 54.140 0.3 A 33 ALA CB C 13 18.958 0.3 A 33 ALA N N 15 124.144 0.3 A 34 GLU H H 1 7.410 0.020 A 34 GLU HA H 1 3.889 0.020 A 34 GLU HBx H 1 1.423 0.020 A 34 GLU HBy H 1 1.977 0.020 A 34 GLU HGx H 1 1.844 0.020 A 34 GLU HGy H 1 2.067 0.020 A 34 GLU C C 13 175.069 0.3 A 34 GLU CA C 13 55.202 0.3 A 34 GLU CB C 13 29.307 0.3 A 34 GLU CG C 13 36.674 0.3 A 34 GLU N N 15 111.779 0.3 A 35 GLN H H 1 7.322 0.020 A 35 GLN HA H 1 3.762 0.020 A 35 GLN HBx H 1 2.158 0.020 A 35 GLN HBy H 1 2.258 0.020 A 35 GLN HE21 H 1 7.577 0.020 A 35 GLN HE22 H 1 6.749 0.020 A 35 GLN HGx H 1 2.143 0.020 A 35 GLN HGy H 1 2.295 0.020 A 35 GLN C C 13 175.098 0.3 A 35 GLN CA C 13 57.134 0.3 A 35 GLN CB C 13 24.972 0.3 A 35 GLN CG C 13 34.193 0.3 A 35 GLN N N 15 112.898 0.3 A 35 GLN NE2 N 15 112.669 0.3 A 36 HIS H H 1 8.464 0.020 A 36 HIS HA H 1 3.743 0.020 A 36 HIS HBx H 1 2.718 0.020 A 36 HIS HBy H 1 3.442 0.020 A 36 HIS HD2 H 1 6.899 0.020 A 36 HIS HE1 H 1 7.474 0.020 A 36 HIS C C 13 173.664 0.3 A 36 HIS CA C 13 56.555 0.3 A 36 HIS CB C 13 26.571 0.3 A 36 HIS CD2 C 13 128.524 0.3 A 36 HIS CE1 C 13 139.380 0.3 A 36 HIS N N 15 110.855 0.3 A 36 HIS ND1 N 15 173.056 0.3 A 36 HIS NE2 N 15 225.385 0.3 A 37 PRO HA H 1 4.314 0.020 A 37 PRO HBx H 1 1.889 0.020 A 37 PRO HBy H 1 2.215 0.020 A 37 PRO HD2 H 1 3.499 0.020 A 37 PRO HD3 H 1 3.499 0.020 A 37 PRO HGx H 1 1.952 0.020 A 37 PRO HGy H 1 2.013 0.020 A 37 PRO CA C 13 64.501 0.3 A 37 PRO CB C 13 31.252 0.3 A 37 PRO CD C 13 50.364 0.3 A 37 PRO CG C 13 27.216 0.3 A 38 ASN HA H 1 4.818 0.020 A 38 ASN HBx H 1 2.555 0.020 A 38 ASN HBy H 1 2.903 0.020 A 38 ASN HD21 H 1 7.861 0.020 A 38 ASN HD22 H 1 6.963 0.020 A 38 ASN C C 13 175.884 0.3 A 38 ASN CA C 13 52.643 0.3 A 38 ASN CB C 13 39.117 0.3 A 38 ASN ND2 N 15 115.673 0.3 A 39 GLY H H 1 8.132 0.020 A 39 GLY HAx H 1 3.762 0.020 A 39 GLY HAy H 1 3.916 0.020 A 39 GLY C C 13 173.924 0.3 A 39 GLY CA C 13 45.857 0.3 A 39 GLY N N 15 108.381 0.3 A 40 GLU HA H 1 4.391 0.020 A 40 GLU HBx H 1 1.809 0.020 A 40 GLU HBy H 1 1.982 0.020 A 40 GLU HGx H 1 2.195 0.020 A 40 GLU HGy H 1 2.360 0.020 A 40 GLU CA C 13 54.269 0.3 A 40 GLU CB C 13 28.774 0.3 A 40 GLU CG C 13 35.581 0.3 A 41 PRO HA H 1 4.587 0.020 A 41 PRO HBx H 1 2.052 0.020 A 41 PRO HBy H 1 2.169 0.020 A 41 PRO HDx H 1 3.547 0.020 A 41 PRO HDy H 1 3.868 0.020 A 41 PRO HGx H 1 1.761 0.020 A 41 PRO HGy H 1 1.904 0.020 A 41 PRO C C 13 177.888 0.3 A 41 PRO CA C 13 62.452 0.3 A 41 PRO CB C 13 32.049 0.3 A 41 PRO CD C 13 50.308 0.3 A 41 PRO CG C 13 26.846 0.3 A 42 CYS H H 1 9.496 0.020 A 42 CYS HA H 1 4.827 0.020 A 42 CYS HB2 H 1 3.699 0.020 A 42 CYS HB3 H 1 3.699 0.020 A 42 CYS C C 13 172.928 0.3 A 42 CYS CA C 13 56.836 0.3 A 42 CYS CB C 13 30.580 0.3 A 42 CYS N N 15 119.647 0.3 A 43 PRO HA H 1 4.437 0.020 A 43 PRO HBx H 1 1.691 0.020 A 43 PRO HBy H 1 2.062 0.020 A 43 PRO HDx H 1 3.267 0.020 A 43 PRO HDy H 1 3.695 0.020 A 43 PRO HG2 H 1 1.263 0.020 A 43 PRO HG3 H 1 1.263 0.020 A 43 PRO C C 13 174.863 0.3 A 43 PRO CA C 13 64.458 0.3 A 43 PRO CB C 13 30.712 0.3 A 43 PRO CD C 13 50.298 0.3 A 43 PRO CG C 13 26.853 0.3 A 44 HIS H H 1 7.219 0.020 A 44 HIS HA H 1 4.988 0.020 A 44 HIS HBx H 1 2.696 0.020 A 44 HIS HBy H 1 3.411 0.020 A 44 HIS HD2 H 1 7.399 0.020 A 44 HIS HE1 H 1 7.800 0.020 A 44 HIS C C 13 173.005 0.3 A 44 HIS CA C 13 55.101 0.3 A 44 HIS CB C 13 32.302 0.3 A 44 HIS CD2 C 13 119.820 0.3 A 44 HIS CE1 C 13 137.951 0.3 A 44 HIS N N 15 121.395 0.3 A 44 HIS ND1 N 15 224.859 0.3 A 44 HIS NE2 N 15 172.305 0.3 A 45 PRO HA H 1 4.255 0.020 A 45 PRO HBx H 1 1.993 0.020 A 45 PRO HBy H 1 2.277 0.020 A 45 PRO HDx H 1 3.836 0.020 A 45 PRO HDy H 1 3.932 0.020 A 45 PRO HG2 H 1 2.009 0.020 A 45 PRO HG3 H 1 2.009 0.020 A 45 PRO C C 13 176.346 0.3 A 45 PRO CA C 13 63.932 0.3 A 45 PRO CB C 13 32.308 0.3 A 45 PRO CD C 13 51.099 0.3 A 45 PRO CG C 13 27.148 0.3 A 46 ASP H H 1 8.608 0.020 A 46 ASP HA H 1 4.332 0.020 A 46 ASP HBx H 1 2.698 0.020 A 46 ASP HBy H 1 2.784 0.020 A 46 ASP C C 13 174.182 0.3 A 46 ASP CA C 13 54.929 0.3 A 46 ASP CB C 13 39.664 0.3 A 46 ASP N N 15 115.412 0.3 A 47 CYS H H 1 7.655 0.020 A 47 CYS HA H 1 4.276 0.020 A 47 CYS HB2 H 1 2.631 0.020 A 47 CYS HB3 H 1 2.631 0.020 A 47 CYS C C 13 174.660 0.3 A 47 CYS CA C 13 60.188 0.3 A 47 CYS CB C 13 31.316 0.3 A 47 CYS N N 15 120.836 0.3 A 48 HIS HA H 1 5.138 0.020 A 48 HIS HBx H 1 3.041 0.020 A 48 HIS HBy H 1 3.192 0.020 A 48 HIS HD2 H 1 7.021 0.020 A 48 HIS HE1 H 1 8.037 0.020 A 48 HIS C C 13 175.963 0.3 A 48 HIS CA C 13 54.939 0.3 A 48 HIS CB C 13 28.229 0.3 A 48 HIS CD2 C 13 121.370 0.3 A 48 HIS CE1 C 13 137.396 0.3 A 48 HIS ND1 N 15 190.978 0.3 A 48 HIS NE2 N 15 183.725 0.3 A 49 CYS H H 1 8.028 0.020 A 49 CYS HA H 1 4.303 0.020 A 49 CYS HBx H 1 2.919 0.020 A 49 CYS HBy H 1 3.102 0.020 A 49 CYS C C 13 173.271 0.3 A 49 CYS CA C 13 59.453 0.3 A 49 CYS CB C 13 30.963 0.3 A 49 CYS N N 15 118.831 0.3 A 50 GLU HA H 1 3.239 0.020 A 50 GLU HB2 H 1 1.424 0.020 A 50 GLU HB3 H 1 1.424 0.020 A 50 GLU HGx H 1 1.885 0.020 A 50 GLU HGy H 1 2.163 0.020 A 50 GLU C C 13 175.302 0.3 A 50 GLU CA C 13 55.860 0.3 A 50 GLU CB C 13 29.070 0.3 A 50 GLU CG C 13 34.779 0.3 A 51 ARG H H 1 7.679 0.020 A 51 ARG HA H 1 4.316 0.020 A 51 ARG HB2 H 1 1.796 0.020 A 51 ARG HB3 H 1 1.796 0.020 A 51 ARG HD2 H 1 3.142 0.020 A 51 ARG HD3 H 1 3.142 0.020 A 51 ARG HG2 H 1 1.569 0.020 A 51 ARG HG3 H 1 1.569 0.020 A 51 ARG C C 13 174.973 0.3 A 51 ARG CA C 13 55.929 0.3 A 51 ARG CB C 13 30.891 0.3 A 51 ARG CD C 13 43.419 0.3 A 51 ARG CG C 13 27.051 0.3 A 51 ARG N N 15 121.589 0.3 A 52 SER H H 1 7.855 0.020 A 52 SER HA H 1 4.228 0.020 A 52 SER HB2 H 1 3.806 0.020 A 52 SER HB3 H 1 3.806 0.020 A 52 SER C C 13 178.901 0.3 A 52 SER CA C 13 59.830 0.3 A 52 SER CB C 13 64.779 0.3 A 52 SER N N 15 122.755 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 8 PRO HA A 9 ASP HA 1.0 0.0 5.18 2 2 A 8 PRO HA A 10 CYS H 1.0 0.0 4.75 3 3 A 31 ALA H A 29 SER HBy 1.0 0.0 4.84 4 4 A 15 ASP HA A 16 PRO HA 1.0 0.0 4.43 5 5 A 31 ALA HB% A 29 SER HBx 1.0 0.0 4.75 6 6 A 42 CYS HA A 43 PRO HA 1.0 0.0 4.76 7 7 A 31 ALA HB% A 29 SER HBy 1.0 0.0 4.75 8 8 A 51 ARG HB3 A 52 SER HB2 1.0 0.0 4.68 9 8 A 51 ARG HB2 A 52 SER HB2 1.0 0.0 4.68 10 8 A 52 SER HB3 A 51 ARG HB2 1.0 0.0 4.68 11 8 A 51 ARG HB3 A 52 SER HB3 1.0 0.0 4.68 12 9 A 43 PRO HA A 44 HIS HBx 1.0 0.0 5.25 13 10 A 43 PRO HA A 42 CYS H 1.0 0.0 5.50 14 11 A 16 PRO HA A 18 ARG H 1.0 0.0 4.46 15 12 A 16 PRO HA A 3 LEU HB2 1.0 0.0 5.50 16 12 A 16 PRO HA A 3 LEU HB3 1.0 0.0 5.50 17 13 A 16 PRO HA A 3 LEU HG 1.0 0.0 5.50 18 14 A 32 CYS HA A 36 HIS H 1.0 0.0 4.41 19 15 A 32 CYS HA A 7 CYS HBx 1.0 0.0 4.95 20 16 A 32 CYS HA A 35 GLN H 1.0 0.0 4.39 21 17 A 32 CYS HA A 36 HIS HE1 1.0 0.0 4.65 22 18 A 31 ALA HB% A 32 CYS HA 1.0 0.0 4.67 23 19 A 41 PRO HA A 50 GLU HB2 1.0 0.0 3.54 24 19 A 41 PRO HA A 50 GLU HB3 1.0 0.0 3.54 25 20 A 41 PRO HA A 50 GLU HA 1.0 0.0 4.75 26 21 A 14 VAL HGx% A 19 VAL HA 1.0 0.0 3.29 27 22 A 19 VAL HA A 26 ALA HA 1.0 0.0 5.50 28 23 A 12 CYS HA A 13 LYS HA 1.0 0.0 5.39 29 24 A 19 VAL HA A 20 PHE HA 1.0 0.0 5.50 30 25 A 12 CYS HA A 13 LYS HB2 1.0 0.0 4.29 31 25 A 12 CYS HA A 13 LYS HB3 1.0 0.0 4.29 32 26 A 13 LYS H A 14 VAL HA 1.0 0.0 5.48 33 27 A 14 VAL HA A 28 CYS H 1.0 0.0 5.50 34 28 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.21 35 29 A 14 VAL HA A 15 ASP HBy 1.0 0.0 5.50 36 30 A 14 VAL HGx% A 5 CYS HA 1.0 0.0 4.76 37 31 A 28 CYS H A 5 CYS HA 1.0 0.0 4.21 38 32 A 14 VAL HGy% A 5 CYS HA 1.0 0.0 3.30 39 33 A 5 CYS HA A 27 TYR HD% 1.0 0.0 5.20 40 34 A 5 CYS HA A 26 ALA HB% 1.0 0.0 5.30 41 35 A 28 CYS HA A 44 HIS HE1 1.0 0.0 4.65 42 36 A 30 GLN HA A 34 GLU H 1.0 0.0 4.93 43 37 A 28 CYS HA A 12 CYS HBx 1.0 0.0 5.25 44 38 A 14 VAL HGx% A 28 CYS HA 1.0 0.0 3.48 45 39 A 14 VAL HGy% A 28 CYS HA 1.0 0.0 3.47 46 40 A 28 CYS HA A 12 CYS HBy 1.0 0.0 5.50 47 41 A 28 CYS HA A 27 TYR HBy 1.0 0.0 5.50 48 42 A 28 CYS HA A 15 ASP H 1.0 0.0 4.89 49 43 A 30 GLN HA A 20 PHE HE% 1.0 0.0 5.15 50 44 A 30 GLN HA A 20 PHE HDy 1.0 0.0 5.32 51 45 A 30 GLN HA A 20 PHE HDx 1.0 0.0 4.46 52 46 A 30 GLN HA A 33 ALA H 1.0 0.0 4.61 53 47 A 30 GLN HA A 31 ALA HA 1.0 0.0 4.94 54 48 A 8 PRO HA A 7 CYS HA 1.0 0.0 4.79 55 49 A 7 CYS HA A 9 ASP H 1.0 0.0 5.05 56 50 A 7 CYS HA A 27 TYR HE% 1.0 0.0 4.04 57 51 A 27 TYR HD% A 7 CYS HA 1.0 0.0 5.02 58 52 A 42 CYS HA A 36 HIS HE1 1.0 0.0 5.46 59 53 A 20 PHE HA A 20 PHE HDx 1.0 0.0 3.88 60 54 A 33 ALA HA A 35 GLN HA 1.0 0.0 5.33 61 55 A 7 CYS HA A 8 PRO HBy 1.0 0.0 4.93 62 56 A 42 CYS HA A 43 PRO HDx 1.0 0.0 3.22 63 57 A 42 CYS HA A 42 CYS HB2 1.0 0.0 2.85 64 57 A 42 CYS HA A 42 CYS HB3 1.0 0.0 2.85 65 58 A 20 PHE HDx A 29 SER HA 1.0 0.0 5.50 66 59 A 36 HIS HA A 39 GLY H 1.0 0.0 4.90 67 60 A 36 HIS HA A 37 PRO HGx 1.0 0.0 5.50 68 61 A 36 HIS HA A 37 PRO HGy 1.0 0.0 5.50 69 62 A 36 HIS HA A 34 GLU HBx 1.0 0.0 4.73 70 63 A 5 CYS HA A 27 TYR HA 1.0 0.0 3.43 71 64 A 27 TYR HA A 5 CYS HBx 1.0 0.0 4.50 72 65 A 2 GLU HA A 3 LEU H 1.0 0.0 3.47 73 66 A 50 GLU HA A 50 GLU HB2 1.0 0.0 2.95 74 66 A 50 GLU HB3 A 50 GLU HA 1.0 0.0 2.95 75 67 A 51 ARG HA A 51 ARG HG2 1.0 0.0 3.50 76 67 A 51 ARG HA A 51 ARG HG3 1.0 0.0 3.50 77 68 A 44 HIS HA A 45 PRO HDy 1.0 0.0 3.25 78 69 A 4 ARG HA A 4 ARG HD2 1.0 0.0 3.89 79 69 A 4 ARG HA A 4 ARG HD3 1.0 0.0 3.89 80 70 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.89 81 71 A 44 HIS HA A 45 PRO HG2 1.0 0.0 4.92 82 71 A 44 HIS HA A 45 PRO HG3 1.0 0.0 4.92 83 72 A 13 LYS HA A 5 CYS H 1.0 0.0 4.52 84 73 A 13 LYS HA A 4 ARG HA 1.0 0.0 3.69 85 74 A 4 ARG HA A 14 VAL H 1.0 0.0 3.65 86 75 A 46 ASP HA A 45 PRO HG2 1.0 0.0 4.89 87 75 A 45 PRO HG3 A 46 ASP HA 1.0 0.0 4.89 88 76 A 23 ASP HA A 25 GLU H 1.0 0.0 4.98 89 77 A 34 GLU H A 31 ALA HA 1.0 0.0 4.73 90 78 A 13 LYS HA A 14 VAL H 1.0 0.0 2.75 91 79 A 18 ARG HA A 18 ARG HG2 1.0 0.0 3.21 92 79 A 18 ARG HA A 18 ARG HG3 1.0 0.0 3.21 93 80 A 19 VAL HA A 18 ARG HA 1.0 0.0 4.71 94 81 A 3 LEU HA A 4 ARG H 1.0 0.0 2.77 95 82 A 40 GLU HA A 41 PRO HDy 1.0 0.0 2.81 96 83 A 23 ASP HA A 22 HIS HA 1.0 0.0 4.42 97 84 A 33 ALA HA A 27 TYR HBx 1.0 0.0 4.29 98 85 A 27 TYR HD% A 33 ALA HA 1.0 0.0 4.04 99 86 A 33 ALA HA A 22 HIS HBx 1.0 0.0 4.81 100 87 A 9 ASP HA A 8 PRO HBx 1.0 0.0 4.55 101 88 A 25 GLU HA A 25 GLU HG2 1.0 0.0 3.48 102 88 A 25 GLU HA A 25 GLU HG3 1.0 0.0 3.48 103 89 A 25 GLU HA A 26 ALA H 1.0 0.0 2.79 104 90 A 27 TYR HE% A 33 ALA HA 1.0 0.0 4.30 105 91 A 26 ALA HB% A 25 GLU HA 1.0 0.0 3.99 106 92 A 26 ALA HA A 21 ASN HA 1.0 0.0 3.62 107 93 A 26 ALA HB% A 21 ASN HA 1.0 0.0 4.82 108 94 A 37 PRO HGx A 38 ASN HA 1.0 0.0 4.72 109 95 A 38 ASN HA A 37 PRO HBx 1.0 0.0 4.70 110 96 A 7 CYS HA A 8 PRO HDy 1.0 0.0 2.80 111 97 A 27 TYR HE% A 8 PRO HDy 1.0 0.0 4.88 112 98 A 7 CYS HBx A 8 PRO HDy 1.0 0.0 5.10 113 99 A 7 CYS HA A 8 PRO HDx 1.0 0.0 2.80 114 100 A 9 ASP H A 8 PRO HDx 1.0 0.0 4.00 115 101 A 14 VAL HGx% A 26 ALA HA 1.0 0.0 4.93 116 102 A 9 ASP H A 8 PRO HDy 1.0 0.0 4.58 117 103 A 8 PRO HDx A 7 CYS H 1.0 0.0 4.82 118 104 A 44 HIS HBy A 45 PRO HDx 1.0 0.0 4.45 119 105 A 44 HIS HA A 45 PRO HDx 1.0 0.0 2.94 120 106 A 45 PRO HDx A 44 HIS HD2 1.0 0.0 4.88 121 107 A 16 PRO HDy A 3 LEU HDx% 1.0 0.0 5.28 122 108 A 45 PRO HDy A 44 HIS HD2 1.0 0.0 5.04 123 109 A 45 PRO HDx A 44 HIS H 1.0 0.0 4.73 124 110 A 3 LEU H A 16 PRO HDy 1.0 0.0 4.43 125 111 A 16 PRO HDy A 17 GLU H 1.0 0.0 4.84 126 112 A 15 ASP HA A 16 PRO HDy 1.0 0.0 2.80 127 113 A 15 ASP HBy A 16 PRO HDy 1.0 0.0 4.43 128 114 A 15 ASP HA A 16 PRO HDx 1.0 0.0 2.82 129 115 A 16 PRO HDx A 15 ASP HBx 1.0 0.0 4.54 130 116 A 16 PRO HDx A 3 LEU HB2 1.0 0.0 5.39 131 116 A 3 LEU HB3 A 16 PRO HDx 1.0 0.0 5.39 132 117 A 34 GLU H A 37 PRO HD2 1.0 0.0 4.80 133 117 A 34 GLU H A 37 PRO HD3 1.0 0.0 4.80 134 118 A 35 GLN H A 37 PRO HD2 1.0 0.0 5.14 135 118 A 35 GLN H A 37 PRO HD3 1.0 0.0 5.14 136 119 A 42 CYS HA A 43 PRO HDy 1.0 0.0 3.22 137 120 A 31 ALA HB% A 43 PRO HDy 1.0 0.0 4.62 138 121 A 40 GLU HA A 41 PRO HDx 1.0 0.0 2.89 139 122 A 36 HIS HBy A 37 PRO HD2 1.0 0.0 4.61 140 122 A 37 PRO HD3 A 36 HIS HBy 1.0 0.0 4.61 141 123 A 36 HIS HA A 37 PRO HD2 1.0 0.0 2.92 142 123 A 36 HIS HA A 37 PRO HD3 1.0 0.0 2.92 143 124 A 34 GLU HBy A 37 PRO HD2 1.0 0.0 3.02 144 124 A 37 PRO HD3 A 34 GLU HBy 1.0 0.0 3.02 145 125 A 34 GLU HBx A 37 PRO HD2 1.0 0.0 3.32 146 125 A 34 GLU HBx A 37 PRO HD3 1.0 0.0 3.32 147 126 A 31 ALA HB% A 37 PRO HD2 1.0 0.0 4.54 148 126 A 31 ALA HB% A 37 PRO HD3 1.0 0.0 4.54 149 127 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 4.30 150 127 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 4.30 151 128 A 27 TYR HE% A 6 GLY HAx 1.0 0.0 4.90 152 129 A 36 HIS HBy A 39 GLY HAx 1.0 0.0 4.40 153 130 A 36 HIS HBy A 39 GLY HAy 1.0 0.0 4.40 154 131 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.07 155 131 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.07 156 132 A 52 SER H A 51 ARG HD2 1.0 0.0 4.53 157 132 A 51 ARG HD3 A 52 SER H 1.0 0.0 4.53 158 133 A 51 ARG HA A 51 ARG HD2 1.0 0.0 4.17 159 133 A 51 ARG HA A 51 ARG HD3 1.0 0.0 4.17 160 134 A 52 SER HA A 51 ARG HD2 1.0 0.0 5.12 161 134 A 51 ARG HD3 A 52 SER HA 1.0 0.0 5.12 162 135 A 27 TYR HBx A 33 ALA HB% 1.0 0.0 3.69 163 136 A 28 CYS H A 27 TYR HBx 1.0 0.0 4.10 164 137 A 27 TYR HBy A 32 CYS H 1.0 0.0 5.25 165 138 A 18 ARG H A 18 ARG HD2 1.0 0.0 4.81 166 138 A 18 ARG H A 18 ARG HD3 1.0 0.0 4.81 167 139 A 18 ARG HBx A 18 ARG HD2 1.0 0.0 3.70 168 139 A 18 ARG HD3 A 18 ARG HBx 1.0 0.0 3.70 169 140 A 51 ARG H A 51 ARG HD2 1.0 0.0 4.90 170 140 A 51 ARG HD3 A 51 ARG H 1.0 0.0 4.90 171 141 A 51 ARG HD2 A 51 ARG HG2 1.0 0.0 2.95 172 141 A 51 ARG HD3 A 51 ARG HG2 1.0 0.0 2.95 173 141 A 51 ARG HG3 A 51 ARG HD2 1.0 0.0 2.95 174 141 A 51 ARG HG3 A 51 ARG HD3 1.0 0.0 2.95 175 142 A 27 TYR HBx A 32 CYS H 1.0 0.0 5.50 176 143 A 33 ALA H A 27 TYR HBx 1.0 0.0 4.35 177 144 A 27 TYR HBx A 29 SER H 1.0 0.0 3.85 178 145 A 27 TYR HBy A 33 ALA HA 1.0 0.0 4.72 179 146 A 27 TYR HBy A 27 TYR H 1.0 0.0 4.05 180 147 A 27 TYR HBy A 33 ALA HB% 1.0 0.0 3.98 181 148 A 15 ASP HA A 3 LEU HB2 1.0 0.0 5.13 182 148 A 15 ASP HA A 3 LEU HB3 1.0 0.0 5.13 183 149 A 4 ARG H A 4 ARG HD2 1.0 0.0 4.89 184 149 A 4 ARG HD3 A 4 ARG H 1.0 0.0 4.89 185 150 A 5 CYS H A 4 ARG HD2 1.0 0.0 5.45 186 150 A 4 ARG HD3 A 5 CYS H 1.0 0.0 5.45 187 151 A 27 TYR HBx A 6 GLY H 1.0 0.0 4.93 188 152 A 3 LEU HB3 A 13 LYS HE2 1.0 0.0 5.50 189 152 A 3 LEU HB2 A 13 LYS HE2 1.0 0.0 5.50 190 152 A 13 LYS HE3 A 3 LEU HB2 1.0 0.0 5.50 191 152 A 3 LEU HB3 A 13 LYS HE3 1.0 0.0 5.50 192 153 A 3 LEU HB2 A 3 LEU HDy% 1.0 0.0 3.44 193 153 A 3 LEU HB3 A 3 LEU HDy% 1.0 0.0 3.44 194 154 A 3 LEU HDx% A 3 LEU HB2 1.0 0.0 3.44 195 154 A 3 LEU HB3 A 3 LEU HDx% 1.0 0.0 3.44 196 155 A 16 PRO HDy A 13 LYS HE2 1.0 0.0 4.81 197 155 A 16 PRO HDy A 13 LYS HE3 1.0 0.0 4.81 198 156 A 49 CYS HA A 9 ASP HBy 1.0 0.0 4.55 199 157 A 49 CYS HA A 9 ASP HBx 1.0 0.0 4.55 200 158 A 3 LEU H A 13 LYS HE2 1.0 0.0 4.84 201 158 A 3 LEU H A 13 LYS HE3 1.0 0.0 4.84 202 159 A 14 VAL HA A 15 ASP HBx 1.0 0.0 4.70 203 160 A 15 ASP HBy A 16 PRO HDx 1.0 0.0 3.95 204 161 A 15 ASP HBx A 18 ARG HBx 1.0 0.0 4.83 205 162 A 20 PHE H A 20 PHE HBy 1.0 0.0 3.80 206 163 A 20 PHE H A 20 PHE HBx 1.0 0.0 3.80 207 164 A 33 ALA HB% A 20 PHE HBx 1.0 0.0 4.23 208 165 A 22 HIS HA A 23 ASP HBx 1.0 0.0 4.65 209 166 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.70 210 167 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.25 211 168 A 17 GLU H A 17 GLU HGy 1.0 0.0 4.15 212 169 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.70 213 170 A 2 GLU HGy A 3 LEU HDx% 1.0 0.0 6.71 214 171 A 17 GLU H A 17 GLU HGx 1.0 0.0 4.15 215 172 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.89 216 173 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.25 217 174 A 33 ALA HB% A 34 GLU HGx 1.0 0.0 4.67 218 175 A 3 LEU HDx% A 2 GLU HGx 1.0 0.0 6.71 219 176 A 2 GLU HGx A 3 LEU HDy% 1.0 0.0 6.71 220 177 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 4.30 221 177 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 4.30 222 178 A 27 TYR HD% A 25 GLU HG2 1.0 0.0 4.99 223 178 A 27 TYR HD% A 25 GLU HG3 1.0 0.0 4.99 224 179 A 25 GLU HBx A 25 GLU HG2 1.0 0.0 2.61 225 179 A 25 GLU HG3 A 25 GLU HBx 1.0 0.0 2.61 226 180 A 26 ALA HB% A 25 GLU HG2 1.0 0.0 4.73 227 180 A 26 ALA HB% A 25 GLU HG3 1.0 0.0 4.73 228 181 A 40 GLU HA A 40 GLU HGy 1.0 0.0 4.15 229 182 A 40 GLU HA A 40 GLU HGx 1.0 0.0 4.15 230 183 A 25 GLU HBy A 25 GLU HG2 1.0 0.0 2.68 231 183 A 25 GLU HG3 A 25 GLU HBy 1.0 0.0 2.68 232 184 A 25 GLU H A 25 GLU HG2 1.0 0.0 4.15 233 184 A 25 GLU H A 25 GLU HG3 1.0 0.0 4.15 234 185 A 51 ARG H A 50 GLU HGx 1.0 0.0 4.83 235 186 A 35 GLN HA A 35 GLN HGy 1.0 0.0 3.63 236 187 A 34 GLU HA A 35 GLN HGy 1.0 0.0 4.31 237 188 A 34 GLU H A 35 GLN HGy 1.0 0.0 4.99 238 189 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.41 239 190 A 34 GLU HA A 35 GLN HGx 1.0 0.0 5.00 240 191 A 35 GLN H A 35 GLN HGy 1.0 0.0 4.51 241 192 A 27 TYR HD% A 22 HIS HBy 1.0 0.0 4.64 242 193 A 27 TYR HE% A 22 HIS HBy 1.0 0.0 3.87 243 194 A 27 TYR HE% A 22 HIS HBx 1.0 0.0 3.87 244 195 A 33 ALA HA A 22 HIS HBy 1.0 0.0 4.81 245 196 A 33 ALA HB% A 22 HIS HBx 1.0 0.0 3.66 246 197 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 4.64 247 198 A 16 PRO HA A 19 VAL HB 1.0 0.0 3.78 248 199 A 26 ALA H A 25 GLU HBx 1.0 0.0 4.23 249 200 A 19 VAL HB A 19 VAL H 1.0 0.0 3.35 250 201 A 20 PHE H A 19 VAL HB 1.0 0.0 4.24 251 202 A 28 CYS HA A 14 VAL HB 1.0 0.0 4.82 252 203 A 10 CYS H A 10 CYS HBx 1.0 0.0 3.85 253 204 A 10 CYS H A 10 CYS HBy 1.0 0.0 3.58 254 205 A 7 CYS HBx A 10 CYS HBy 1.0 0.0 4.55 255 206 A 7 CYS H A 10 CYS HBy 1.0 0.0 4.95 256 207 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.91 257 208 A 13 LYS HB3 A 13 LYS HGy 1.0 0.0 2.96 258 208 A 13 LYS HB2 A 13 LYS HGy 1.0 0.0 2.96 259 209 A 44 HIS HE1 A 28 CYS HBy 1.0 0.0 4.43 260 210 A 7 CYS H A 32 CYS HBy 1.0 0.0 5.09 261 211 A 14 VAL HGy% A 28 CYS HBx 1.0 0.0 3.87 262 212 A 28 CYS H A 28 CYS HBx 1.0 0.0 3.75 263 213 A 44 HIS HE1 A 28 CYS HBx 1.0 0.0 4.43 264 214 A 27 TYR HD% A 32 CYS HBx 1.0 0.0 4.43 265 215 A 31 ALA HB% A 32 CYS HBx 1.0 0.0 4.69 266 216 A 9 ASP H A 8 PRO HBx 1.0 0.0 4.13 267 217 A 27 TYR HE% A 25 GLU HBx 1.0 0.0 3.80 268 218 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.82 269 219 A 25 GLU H A 25 GLU HBy 1.0 0.0 3.81 270 220 A 33 ALA HB% A 32 CYS HBy 1.0 0.0 4.90 271 221 A 7 CYS HA A 32 CYS HBy 1.0 0.0 5.03 272 222 A 27 TYR HD% A 32 CYS HBy 1.0 0.0 3.35 273 223 A 9 ASP H A 8 PRO HBy 1.0 0.0 4.56 274 224 A 17 GLU H A 16 PRO HBx 1.0 0.0 4.04 275 225 A 30 GLN HA A 30 GLN HG2 1.0 0.0 3.48 276 225 A 30 GLN HA A 30 GLN HG3 1.0 0.0 3.48 277 226 A 31 ALA H A 30 GLN HG2 1.0 0.0 4.90 278 226 A 31 ALA H A 30 GLN HG3 1.0 0.0 4.90 279 227 A 20 PHE HE% A 30 GLN HG2 1.0 0.0 4.21 280 227 A 20 PHE HE% A 30 GLN HG3 1.0 0.0 4.21 281 228 A 16 PRO HBy A 3 LEU HDx% 1.0 0.0 4.69 282 229 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 3.94 283 229 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 3.94 284 230 A 14 VAL HGx% A 12 CYS HBy 1.0 0.0 5.50 285 231 A 14 VAL HGy% A 12 CYS HBx 1.0 0.0 4.36 286 232 A 13 LYS H A 12 CYS HBx 1.0 0.0 4.48 287 233 A 47 CYS H A 47 CYS HB2 1.0 0.0 3.85 288 233 A 47 CYS H A 47 CYS HB3 1.0 0.0 3.85 289 234 A 4 ARG HB2 A 4 ARG HD2 1.0 0.0 3.43 290 234 A 4 ARG HB3 A 4 ARG HD2 1.0 0.0 3.43 291 234 A 4 ARG HD3 A 4 ARG HB2 1.0 0.0 3.43 292 234 A 4 ARG HD3 A 4 ARG HB3 1.0 0.0 3.43 293 235 A 4 ARG H A 4 ARG HB2 1.0 0.0 3.29 294 235 A 4 ARG H A 4 ARG HB3 1.0 0.0 3.29 295 236 A 18 ARG H A 18 ARG HBy 1.0 0.0 4.18 296 237 A 15 ASP HBy A 18 ARG HBx 1.0 0.0 4.69 297 238 A 51 ARG HB2 A 51 ARG HD2 1.0 0.0 3.61 298 238 A 51 ARG HB3 A 51 ARG HD2 1.0 0.0 3.61 299 238 A 51 ARG HD3 A 51 ARG HB2 1.0 0.0 3.61 300 238 A 51 ARG HB3 A 51 ARG HD3 1.0 0.0 3.61 301 239 A 31 ALA HB% A 42 CYS HB2 1.0 0.0 5.31 302 239 A 31 ALA HB% A 42 CYS HB3 1.0 0.0 5.31 303 240 A 27 TYR HE% A 7 CYS HBy 1.0 0.0 4.93 304 241 A 8 PRO HDx A 7 CYS HBy 1.0 0.0 4.76 305 242 A 7 CYS HBy A 10 CYS HA 1.0 0.0 5.22 306 243 A 10 CYS HBy A 7 CYS HBy 1.0 0.0 3.78 307 244 A 10 CYS H A 7 CYS HBy 1.0 0.0 4.60 308 245 A 32 CYS HBy A 7 CYS HBy 1.0 0.0 4.82 309 246 A 27 TYR HD% A 7 CYS HBy 1.0 0.0 4.58 310 247 A 7 CYS HBx A 27 TYR HD% 1.0 0.0 3.87 311 248 A 7 CYS HBx A 7 CYS H 1.0 0.0 3.36 312 249 A 7 CYS HBx A 8 PRO HDx 1.0 0.0 4.43 313 250 A 4 ARG HA A 5 CYS HBy 1.0 0.0 4.95 314 251 A 14 VAL HGy% A 5 CYS HBy 1.0 0.0 4.37 315 252 A 14 VAL HGx% A 5 CYS HBx 1.0 0.0 5.35 316 253 A 5 CYS HBx A 4 ARG HB2 1.0 0.0 5.50 317 253 A 5 CYS HBx A 4 ARG HB3 1.0 0.0 5.50 318 254 A 7 CYS H A 5 CYS HBy 1.0 0.0 4.24 319 255 A 7 CYS HA A 5 CYS HBy 1.0 0.0 5.50 320 256 A 5 CYS HBx A 4 ARG HA 1.0 0.0 4.72 321 257 A 28 CYS HA A 5 CYS HBx 1.0 0.0 5.35 322 258 A 34 GLU HBy A 33 ALA HB% 1.0 0.0 5.36 323 259 A 31 ALA HB% A 34 GLU HBy 1.0 0.0 5.50 324 260 A 31 ALA HA A 34 GLU HBx 1.0 0.0 3.95 325 261 A 41 PRO HDy A 50 GLU HB2 1.0 0.0 4.48 326 261 A 50 GLU HB3 A 41 PRO HDy 1.0 0.0 4.48 327 262 A 51 ARG H A 50 GLU HB2 1.0 0.0 4.36 328 262 A 50 GLU HB3 A 51 ARG H 1.0 0.0 4.36 329 263 A 41 PRO HDy A 40 GLU HBy 1.0 0.0 4.98 330 264 A 13 LYS HA A 13 LYS HDx 1.0 0.0 4.42 331 265 A 36 HIS HBy A 50 GLU HB2 1.0 0.0 4.79 332 265 A 50 GLU HB3 A 36 HIS HBy 1.0 0.0 4.79 333 266 A 41 PRO HDy A 40 GLU HBx 1.0 0.0 4.98 334 267 A 13 LYS HA A 13 LYS HDy 1.0 0.0 4.42 335 268 A 47 CYS HA A 48 HIS HBy 1.0 0.0 5.50 336 269 A 47 CYS HA A 48 HIS HBx 1.0 0.0 5.50 337 270 A 9 ASP H A 8 PRO HG2 1.0 0.0 3.94 338 270 A 9 ASP H A 8 PRO HG3 1.0 0.0 3.94 339 271 A 15 ASP HA A 16 PRO HG2 1.0 0.0 4.87 340 271 A 15 ASP HA A 16 PRO HG3 1.0 0.0 4.87 341 272 A 17 GLU H A 16 PRO HG2 1.0 0.0 4.40 342 272 A 17 GLU H A 16 PRO HG3 1.0 0.0 4.40 343 273 A 20 PHE HDx A 30 GLN HB2 1.0 0.0 4.76 344 273 A 20 PHE HDx A 30 GLN HB3 1.0 0.0 4.76 345 274 A 20 PHE HE% A 30 GLN HB2 1.0 0.0 4.43 346 274 A 20 PHE HE% A 30 GLN HB3 1.0 0.0 4.43 347 275 A 7 CYS HA A 8 PRO HG2 1.0 0.0 4.08 348 275 A 7 CYS HA A 8 PRO HG3 1.0 0.0 4.08 349 276 A 15 ASP HBy A 16 PRO HG2 1.0 0.0 4.75 350 276 A 15 ASP HBy A 16 PRO HG3 1.0 0.0 4.75 351 277 A 15 ASP HBx A 18 ARG HG2 1.0 0.0 5.23 352 277 A 18 ARG HG3 A 15 ASP HBx 1.0 0.0 5.23 353 278 A 17 GLU HA A 18 ARG HG2 1.0 0.0 4.42 354 278 A 18 ARG HG3 A 17 GLU HA 1.0 0.0 4.42 355 279 A 37 PRO HGy A 34 GLU HBx 1.0 0.0 4.34 356 280 A 11 HIS HA A 4 ARG HG2 1.0 0.0 4.89 357 280 A 4 ARG HG3 A 11 HIS HA 1.0 0.0 4.89 358 281 A 14 VAL H A 4 ARG HG2 1.0 0.0 5.50 359 281 A 14 VAL H A 4 ARG HG3 1.0 0.0 5.50 360 282 A 5 CYS H A 4 ARG HG2 1.0 0.0 4.22 361 282 A 5 CYS H A 4 ARG HG3 1.0 0.0 4.22 362 283 A 4 ARG HA A 4 ARG HG2 1.0 0.0 4.14 363 283 A 4 ARG HA A 4 ARG HG3 1.0 0.0 4.14 364 284 A 52 SER H A 51 ARG HG2 1.0 0.0 4.45 365 284 A 51 ARG HG3 A 52 SER H 1.0 0.0 4.45 366 285 A 51 ARG HB3 A 51 ARG HG2 1.0 0.0 2.56 367 285 A 51 ARG HB2 A 51 ARG HG2 1.0 0.0 2.56 368 285 A 51 ARG HG3 A 51 ARG HB2 1.0 0.0 2.56 369 285 A 51 ARG HB3 A 51 ARG HG3 1.0 0.0 2.56 370 286 A 36 HIS HBx A 50 GLU HB2 1.0 0.0 5.50 371 286 A 50 GLU HB3 A 36 HIS HBx 1.0 0.0 5.50 372 287 A 36 HIS HBx A 37 PRO HA 1.0 0.0 5.33 373 288 A 3 LEU HG A 3 LEU HA 1.0 0.0 4.25 374 289 A 13 LYS H A 13 LYS HGx 1.0 0.0 5.17 375 290 A 13 LYS H A 13 LYS HGy 1.0 0.0 5.17 376 291 A 13 LYS HB3 A 13 LYS HGx 1.0 0.0 2.96 377 291 A 13 LYS HGx A 13 LYS HB2 1.0 0.0 2.96 378 292 A 16 PRO HDy A 3 LEU HDy% 1.0 0.0 5.28 379 293 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 3.93 380 294 A 26 ALA HB% A 3 LEU HDy% 1.0 0.0 4.27 381 295 A 16 PRO HBy A 3 LEU HDy% 1.0 0.0 4.69 382 296 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.93 383 297 A 26 ALA HB% A 3 LEU HDx% 1.0 0.0 4.27 384 298 A 14 VAL HB A 19 VAL HGy% 1.0 0.0 4.81 385 299 A 26 ALA HA A 19 VAL HGy% 1.0 0.0 4.10 386 300 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 3.32 387 301 A 27 TYR H A 19 VAL HGy% 1.0 0.0 5.02 388 302 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.98 389 303 A 20 PHE H A 19 VAL HGy% 1.0 0.0 4.05 390 304 A 26 ALA HB% A 19 VAL HGy% 1.0 0.0 3.14 391 305 A 14 VAL HGx% A 15 ASP H 1.0 0.0 3.47 392 306 A 14 VAL HGx% A 26 ALA HB% 1.0 0.0 3.31 393 307 A 14 VAL HGx% A 19 VAL HGy% 1.0 0.0 3.43 394 308 A 26 ALA HB% A 27 TYR HA 1.0 0.0 4.73 395 309 A 14 VAL HGx% A 14 VAL HA 1.0 0.0 2.84 396 310 A 14 VAL HGx% A 3 LEU HB2 1.0 0.0 4.27 397 310 A 3 LEU HB3 A 14 VAL HGx% 1.0 0.0 4.27 398 311 A 16 PRO HA A 14 VAL HGx% 1.0 0.0 4.74 399 312 A 26 ALA HB% A 19 VAL HGx% 1.0 0.0 3.14 400 313 A 19 VAL HA A 26 ALA HB% 1.0 0.0 5.00 401 314 A 26 ALA HB% A 14 VAL HB 1.0 0.0 4.70 402 315 A 19 VAL H A 19 VAL HGx% 1.0 0.0 3.98 403 316 A 14 VAL HB A 19 VAL HGx% 1.0 0.0 4.81 404 317 A 27 TYR H A 19 VAL HGx% 1.0 0.0 5.02 405 318 A 19 VAL HA A 19 VAL HGx% 1.0 0.0 3.32 406 319 A 14 VAL HGx% A 19 VAL HGx% 1.0 0.0 3.43 407 320 A 20 PHE H A 19 VAL HGx% 1.0 0.0 4.05 408 321 A 14 VAL HGy% A 27 TYR HA 1.0 0.0 3.88 409 322 A 13 LYS HA A 14 VAL HGy% 1.0 0.0 3.97 410 323 A 14 VAL HGy% A 4 ARG HA 1.0 0.0 3.99 411 324 A 14 VAL HGy% A 12 CYS HBy 1.0 0.0 4.85 412 325 A 14 VAL HGy% A 3 LEU HB2 1.0 0.0 3.75 413 325 A 3 LEU HB3 A 14 VAL HGy% 1.0 0.0 3.75 414 326 A 26 ALA HA A 19 VAL HGx% 1.0 0.0 4.10 415 327 A 14 VAL HGy% A 5 CYS H 1.0 0.0 3.67 416 328 A 14 VAL HGy% A 5 CYS HBx 1.0 0.0 3.32 417 329 A 14 VAL HGy% A 26 ALA HB% 1.0 0.0 3.42 418 330 A 14 VAL HGy% A 14 VAL H 1.0 0.0 3.01 419 331 A 14 VAL HGy% A 28 CYS HBy 1.0 0.0 3.87 420 332 A 34 GLU HA A 33 ALA HB% 1.0 0.0 4.03 421 333 A 33 ALA HB% A 34 GLU HGy 1.0 0.0 4.67 422 334 A 33 ALA HB% A 20 PHE HBy 1.0 0.0 4.23 423 335 A 33 ALA H A 33 ALA HB% 1.0 0.0 2.79 424 336 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 3.66 425 337 A 30 GLN HA A 33 ALA HB% 1.0 0.0 3.00 426 338 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 3.70 427 339 A 31 ALA HB% A 42 CYS HA 1.0 0.0 3.45 428 340 A 31 ALA HB% A 43 PRO HDx 1.0 0.0 4.62 429 341 A 31 ALA HB% A 40 GLU HBx 1.0 0.0 4.51 430 342 A 31 ALA HB% A 36 HIS H 1.0 0.0 4.40 431 343 A 31 ALA HB% A 29 SER H 1.0 0.0 5.50 432 344 A 31 ALA HB% A 35 GLN H 1.0 0.0 5.50 433 345 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 3.70 434 346 A 31 ALA HB% A 40 GLU HBy 1.0 0.0 4.51 435 347 A 31 ALA HB% A 34 GLU HBx 1.0 0.0 5.14 436 348 A 15 ASP H A 13 LYS HE2 1.0 0.0 5.50 437 348 A 15 ASP H A 13 LYS HE3 1.0 0.0 5.50 438 349 A 14 VAL HA A 15 ASP H 1.0 0.0 2.73 439 350 A 15 ASP H A 15 ASP HBx 1.0 0.0 3.17 440 351 A 15 ASP HBy A 15 ASP H 1.0 0.0 3.47 441 352 A 15 ASP H A 14 VAL HB 1.0 0.0 4.14 442 353 A 14 VAL HGy% A 15 ASP H 1.0 0.0 4.46 443 354 A 27 TYR HD% A 7 CYS H 1.0 0.0 3.42 444 355 A 27 TYR HE% A 7 CYS H 1.0 0.0 4.04 445 356 A 27 TYR HA A 7 CYS H 1.0 0.0 4.85 446 357 A 7 CYS H A 7 CYS HBy 1.0 0.0 2.96 447 358 A 20 PHE HDx A 20 PHE H 1.0 0.0 4.25 448 359 A 27 TYR H A 20 PHE H 1.0 0.0 3.99 449 360 A 20 PHE H A 21 ASN H 1.0 0.0 5.11 450 361 A 19 VAL HA A 20 PHE H 1.0 0.0 2.84 451 362 A 14 VAL HGx% A 20 PHE H 1.0 0.0 4.40 452 363 A 20 PHE HDx A 21 ASN H 1.0 0.0 5.50 453 364 A 26 ALA H A 25 GLU HG2 1.0 0.0 3.44 454 364 A 25 GLU HG3 A 26 ALA H 1.0 0.0 3.44 455 365 A 26 ALA H A 25 GLU HBy 1.0 0.0 3.22 456 366 A 26 ALA HB% A 26 ALA H 1.0 0.0 2.84 457 367 A 26 ALA H A 3 LEU HB2 1.0 0.0 5.50 458 367 A 3 LEU HB3 A 26 ALA H 1.0 0.0 5.50 459 368 A 33 ALA H A 32 CYS HBx 1.0 0.0 3.66 460 369 A 3 LEU H A 14 VAL HB 1.0 0.0 4.99 461 370 A 3 LEU H A 3 LEU HB2 1.0 0.0 3.66 462 370 A 3 LEU HB3 A 3 LEU H 1.0 0.0 3.66 463 371 A 3 LEU HG A 3 LEU H 1.0 0.0 4.05 464 372 A 36 HIS H A 33 ALA H 1.0 0.0 5.50 465 373 A 33 ALA H A 27 TYR H 1.0 0.0 5.50 466 374 A 4 ARG H A 3 LEU HB2 1.0 0.0 3.39 467 374 A 3 LEU HB3 A 4 ARG H 1.0 0.0 3.39 468 375 A 12 CYS HBy A 12 CYS H 1.0 0.0 3.89 469 376 A 12 CYS HBx A 12 CYS H 1.0 0.0 3.18 470 377 A 27 TYR HA A 5 CYS H 1.0 0.0 5.50 471 378 A 4 ARG HA A 5 CYS H 1.0 0.0 2.53 472 379 A 12 CYS H A 4 ARG HG2 1.0 0.0 4.76 473 379 A 4 ARG HG3 A 12 CYS H 1.0 0.0 4.76 474 380 A 5 CYS H A 5 CYS HBy 1.0 0.0 3.01 475 381 A 5 CYS HBx A 5 CYS H 1.0 0.0 2.97 476 382 A 51 ARG HA A 52 SER H 1.0 0.0 3.15 477 383 A 52 SER H A 52 SER HB2 1.0 0.0 3.68 478 383 A 52 SER HB3 A 52 SER H 1.0 0.0 3.68 479 384 A 52 SER H A 51 ARG HB2 1.0 0.0 3.74 480 384 A 51 ARG HB3 A 52 SER H 1.0 0.0 3.74 481 385 A 28 CYS H A 5 CYS H 1.0 0.0 5.36 482 386 A 12 CYS HA A 13 LYS H 1.0 0.0 2.71 483 387 A 13 LYS H A 12 CYS HBy 1.0 0.0 3.74 484 388 A 13 LYS H A 13 LYS HB2 1.0 0.0 2.93 485 388 A 13 LYS HB3 A 13 LYS H 1.0 0.0 2.93 486 389 A 5 CYS HBx A 14 VAL H 1.0 0.0 5.39 487 390 A 15 ASP HA A 14 VAL H 1.0 0.0 5.50 488 391 A 14 VAL H A 14 VAL HB 1.0 0.0 2.80 489 392 A 14 VAL H A 3 LEU HB2 1.0 0.0 3.94 490 392 A 3 LEU HB3 A 14 VAL H 1.0 0.0 3.94 491 393 A 14 VAL HGx% A 14 VAL H 1.0 0.0 3.86 492 394 A 10 CYS H A 9 ASP H 1.0 0.0 3.00 493 395 A 51 ARG H A 50 GLU HGy 1.0 0.0 4.83 494 396 A 51 ARG H A 51 ARG HB2 1.0 0.0 3.01 495 396 A 51 ARG HB3 A 51 ARG H 1.0 0.0 3.01 496 397 A 51 ARG H A 51 ARG HG2 1.0 0.0 3.30 497 397 A 51 ARG HG3 A 51 ARG H 1.0 0.0 3.30 498 398 A 51 ARG H A 52 SER HB2 1.0 0.0 5.50 499 398 A 52 SER HB3 A 51 ARG H 1.0 0.0 5.50 500 399 A 52 SER H A 51 ARG H 1.0 0.0 4.71 501 400 A 44 HIS H A 42 CYS HB2 1.0 0.0 4.51 502 400 A 42 CYS HB3 A 44 HIS H 1.0 0.0 4.51 503 401 A 44 HIS HBx A 44 HIS H 1.0 0.0 3.55 504 402 A 44 HIS H A 43 PRO HG2 1.0 0.0 5.50 505 402 A 44 HIS H A 43 PRO HG3 1.0 0.0 5.50 506 403 A 25 GLU H A 33 ALA HB% 1.0 0.0 5.50 507 404 A 25 GLU H A 24 GLY H 1.0 0.0 3.80 508 405 A 27 TYR HE% A 25 GLU H 1.0 0.0 4.13 509 406 A 25 GLU H A 23 ASP HBy 1.0 0.0 5.18 510 407 A 18 ARG HA A 19 VAL H 1.0 0.0 3.06 511 408 A 19 VAL H A 18 ARG HBy 1.0 0.0 4.43 512 409 A 18 ARG H A 19 VAL H 1.0 0.0 3.32 513 410 A 18 ARG H A 15 ASP HBx 1.0 0.0 4.00 514 411 A 18 ARG H A 15 ASP HBy 1.0 0.0 4.51 515 412 A 18 ARG H A 18 ARG HG2 1.0 0.0 3.20 516 412 A 18 ARG H A 18 ARG HG3 1.0 0.0 3.20 517 413 A 31 ALA H A 33 ALA H 1.0 0.0 5.50 518 414 A 31 ALA H A 29 SER HBx 1.0 0.0 4.84 519 415 A 31 ALA H A 30 GLN HB2 1.0 0.0 3.68 520 415 A 31 ALA H A 30 GLN HB3 1.0 0.0 3.68 521 416 A 31 ALA H A 31 ALA HB% 1.0 0.0 3.13 522 417 A 28 CYS H A 27 TYR HA 1.0 0.0 2.97 523 418 A 28 CYS H A 28 CYS HBy 1.0 0.0 3.75 524 419 A 28 CYS H A 27 TYR HBy 1.0 0.0 3.42 525 420 A 28 CYS H A 5 CYS HBx 1.0 0.0 3.76 526 421 A 14 VAL HGx% A 28 CYS H 1.0 0.0 4.80 527 422 A 28 CYS H A 14 VAL HGy% 1.0 0.0 4.01 528 423 A 27 TYR H A 6 GLY H 1.0 0.0 5.04 529 424 A 27 TYR HD% A 27 TYR H 1.0 0.0 3.35 530 425 A 27 TYR HE% A 27 TYR H 1.0 0.0 5.50 531 426 A 21 ASN HA A 27 TYR H 1.0 0.0 4.77 532 427 A 26 ALA HA A 27 TYR H 1.0 0.0 2.62 533 428 A 27 TYR HBx A 27 TYR H 1.0 0.0 3.21 534 429 A 27 TYR H A 19 VAL HB 1.0 0.0 5.50 535 430 A 26 ALA HB% A 27 TYR H 1.0 0.0 3.39 536 431 A 33 ALA HB% A 27 TYR H 1.0 0.0 4.26 537 432 A 14 VAL HGy% A 27 TYR H 1.0 0.0 5.43 538 433 A 9 ASP H A 7 CYS H 1.0 0.0 5.50 539 434 A 28 CYS H A 27 TYR H 1.0 0.0 4.97 540 435 A 19 VAL HA A 27 TYR H 1.0 0.0 5.05 541 436 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.81 542 437 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.81 543 438 A 38 ASN HA A 38 ASN HD22 1.0 0.0 3.58 544 439 A 37 PRO HGx A 38 ASN HD22 1.0 0.0 5.36 545 440 A 38 ASN HA A 38 ASN HD21 1.0 0.0 2.79 546 441 A 37 PRO HGx A 38 ASN HD21 1.0 0.0 5.03 547 442 A 47 CYS H A 46 ASP H 1.0 0.0 4.40 548 443 A 18 ARG H A 17 GLU H 1.0 0.0 2.92 549 444 A 17 GLU H A 19 VAL H 1.0 0.0 5.39 550 445 A 17 GLU H A 16 PRO HDx 1.0 0.0 3.47 551 446 A 17 GLU H A 15 ASP HBx 1.0 0.0 5.09 552 447 A 17 GLU H A 18 ARG HG2 1.0 0.0 4.30 553 447 A 18 ARG HG3 A 17 GLU H 1.0 0.0 4.30 554 448 A 6 GLY H A 25 GLU HG2 1.0 0.0 4.85 555 448 A 25 GLU HG3 A 6 GLY H 1.0 0.0 4.85 556 449 A 26 ALA HA A 6 GLY H 1.0 0.0 5.50 557 450 A 27 TYR HD% A 6 GLY H 1.0 0.0 4.01 558 451 A 27 TYR HA A 6 GLY H 1.0 0.0 3.12 559 452 A 5 CYS HA A 6 GLY H 1.0 0.0 2.58 560 453 A 26 ALA HB% A 6 GLY H 1.0 0.0 4.83 561 454 A 28 CYS H A 6 GLY H 1.0 0.0 4.83 562 455 A 27 TYR HE% A 6 GLY H 1.0 0.0 5.20 563 456 A 5 CYS HBx A 6 GLY H 1.0 0.0 4.37 564 457 A 14 VAL HGy% A 6 GLY H 1.0 0.0 4.26 565 458 A 36 HIS H A 35 GLN H 1.0 0.0 3.09 566 459 A 35 GLN H A 33 ALA H 1.0 0.0 4.24 567 460 A 35 GLN H A 36 HIS HD2 1.0 0.0 4.45 568 461 A 35 GLN H A 35 GLN HA 1.0 0.0 2.56 569 462 A 35 GLN H A 35 GLN HGx 1.0 0.0 3.38 570 463 A 35 GLN H A 33 ALA HA 1.0 0.0 3.92 571 464 A 35 GLN H A 34 GLU HBx 1.0 0.0 4.28 572 465 A 31 ALA H A 32 CYS H 1.0 0.0 3.95 573 466 A 33 ALA H A 32 CYS H 1.0 0.0 3.12 574 467 A 32 CYS H A 32 CYS HBy 1.0 0.0 3.68 575 468 A 30 GLN HA A 32 CYS H 1.0 0.0 4.52 576 469 A 32 CYS H A 32 CYS HBx 1.0 0.0 2.91 577 470 A 32 CYS H A 30 GLN HB2 1.0 0.0 5.50 578 470 A 32 CYS H A 30 GLN HB3 1.0 0.0 5.50 579 471 A 31 ALA HB% A 32 CYS H 1.0 0.0 2.99 580 472 A 34 GLU H A 32 CYS H 1.0 0.0 4.75 581 473 A 36 HIS H A 34 GLU H 1.0 0.0 4.39 582 474 A 34 GLU H A 33 ALA H 1.0 0.0 3.25 583 475 A 34 GLU H A 33 ALA HA 1.0 0.0 3.49 584 476 A 34 GLU H A 34 GLU HBx 1.0 0.0 2.91 585 477 A 34 GLU H A 33 ALA HB% 1.0 0.0 3.12 586 478 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 3.94 587 478 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 3.94 588 479 A 36 HIS H A 36 HIS HA 1.0 0.0 2.57 589 480 A 36 HIS H A 37 PRO HD2 1.0 0.0 2.96 590 480 A 36 HIS H A 37 PRO HD3 1.0 0.0 2.96 591 481 A 36 HIS H A 36 HIS HBy 1.0 0.0 4.18 592 482 A 36 HIS H A 34 GLU HBy 1.0 0.0 4.77 593 483 A 36 HIS H A 34 GLU HBx 1.0 0.0 4.24 594 484 A 28 CYS H A 29 SER H 1.0 0.0 3.34 595 485 A 32 CYS H A 29 SER H 1.0 0.0 5.13 596 486 A 27 TYR HBy A 29 SER H 1.0 0.0 3.03 597 487 A 29 SER H A 32 CYS HBx 1.0 0.0 3.32 598 488 A 33 ALA HB% A 29 SER H 1.0 0.0 5.12 599 489 A 29 SER H A 27 TYR H 1.0 0.0 5.50 600 490 A 27 TYR HA A 29 SER H 1.0 0.0 4.21 601 491 A 39 GLY H A 38 ASN HA 1.0 0.0 3.52 602 492 A 39 GLY H A 36 HIS HBy 1.0 0.0 4.26 603 493 A 23 ASP HBx A 24 GLY H 1.0 0.0 5.50 604 494 A 31 ALA HB% A 36 HIS HE1 1.0 0.0 4.26 605 495 A 42 CYS H A 36 HIS HE1 1.0 0.0 4.19 606 496 A 36 HIS HE1 A 42 CYS HB2 1.0 0.0 4.03 607 496 A 36 HIS HE1 A 42 CYS HB3 1.0 0.0 4.03 608 497 A 36 HIS HE1 A 41 PRO HA 1.0 0.0 3.88 609 498 A 36 HIS HE1 A 50 GLU HA 1.0 0.0 3.97 610 499 A 36 HIS HE1 A 50 GLU HB2 1.0 0.0 4.20 611 499 A 36 HIS HE1 A 50 GLU HB3 1.0 0.0 4.20 612 500 A 44 HIS HE1 A 12 CYS HBy 1.0 0.0 4.68 613 501 A 26 ALA HA A 27 TYR HD% 1.0 0.0 3.83 614 502 A 32 CYS HA A 27 TYR HD% 1.0 0.0 5.19 615 503 A 27 TYR HD% A 25 GLU HBy 1.0 0.0 4.33 616 504 A 28 CYS H A 27 TYR HD% 1.0 0.0 4.44 617 505 A 27 TYR HD% A 27 TYR HA 1.0 0.0 3.68 618 506 A 27 TYR HD% A 21 ASN HA 1.0 0.0 4.70 619 507 A 27 TYR HD% A 33 ALA HB% 1.0 0.0 3.43 620 508 A 36 HIS H A 36 HIS HD2 1.0 0.0 3.78 621 509 A 35 GLN HA A 36 HIS HD2 1.0 0.0 3.53 622 510 A 35 GLN HGx A 36 HIS HD2 1.0 0.0 5.50 623 511 A 33 ALA HB% A 22 HIS HD2 1.0 0.0 4.29 624 512 A 22 HIS HA A 22 HIS HD2 1.0 0.0 3.75 625 513 A 23 ASP HBx A 22 HIS HD2 1.0 0.0 3.63 626 514 A 44 HIS HA A 44 HIS HD2 1.0 0.0 3.44 627 515 A 27 TYR HE% A 6 GLY HAy 1.0 0.0 4.90 628 516 A 7 CYS HBx A 27 TYR HE% 1.0 0.0 3.60 629 517 A 27 TYR HE% A 25 GLU HG2 1.0 0.0 4.00 630 517 A 27 TYR HE% A 25 GLU HG3 1.0 0.0 4.00 631 518 A 27 TYR HE% A 33 ALA HB% 1.0 0.0 4.15 632 519 A 2 GLU HA A 2 GLU HGx 1.0 0.0 3.44 633 519 A 2 GLU HA A 2 GLU HGy 1.0 0.0 3.44 634 520 A 2 GLU HA A 3 LEU HDy% 1.0 0.0 4.91 635 520 A 2 GLU HA A 3 LEU HDx% 1.0 0.0 4.91 636 521 A 3 LEU H A 2 GLU HGx 1.0 0.0 5.34 637 521 A 3 LEU H A 2 GLU HGy 1.0 0.0 5.34 638 522 A 2 GLU HGx A 3 LEU HDy% 1.0 0.0 4.30 639 522 A 2 GLU HGy A 3 LEU HDy% 1.0 0.0 4.30 640 522 A 3 LEU HDx% A 2 GLU HGx 1.0 0.0 4.30 641 522 A 2 GLU HGy A 3 LEU HDx% 1.0 0.0 4.30 642 523 A 2 GLU HGy A 3 LEU HDy% 1.0 0.0 6.71 643 524 A 3 LEU H A 3 LEU HDy% 1.0 0.0 5.44 644 524 A 3 LEU H A 3 LEU HDx% 1.0 0.0 5.44 645 525 A 3 LEU H A 13 LYS HGy 1.0 0.0 4.80 646 525 A 3 LEU H A 13 LYS HGx 1.0 0.0 4.80 647 526 A 3 LEU H A 13 LYS HDy 1.0 0.0 5.34 648 526 A 3 LEU H A 13 LYS HDx 1.0 0.0 5.34 649 527 A 3 LEU HA A 3 LEU HDy% 1.0 0.0 2.97 650 527 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 2.97 651 528 A 4 ARG H A 3 LEU HDy% 1.0 0.0 3.92 652 528 A 4 ARG H A 3 LEU HDx% 1.0 0.0 3.92 653 529 A 3 LEU HDx% A 4 ARG HB2 1.0 0.0 5.24 654 529 A 3 LEU HDy% A 4 ARG HB2 1.0 0.0 5.24 655 529 A 4 ARG HB3 A 3 LEU HDy% 1.0 0.0 5.24 656 529 A 4 ARG HB3 A 3 LEU HDx% 1.0 0.0 5.24 657 530 A 3 LEU HDx% A 13 LYS HDy 1.0 0.0 5.28 658 530 A 3 LEU HDy% A 13 LYS HDy 1.0 0.0 5.28 659 530 A 13 LYS HDx A 3 LEU HDy% 1.0 0.0 5.28 660 530 A 3 LEU HDx% A 13 LYS HDx 1.0 0.0 5.28 661 531 A 14 VAL HB A 3 LEU HDy% 1.0 0.0 4.47 662 531 A 14 VAL HB A 3 LEU HDx% 1.0 0.0 4.47 663 532 A 16 PRO HBy A 3 LEU HDy% 1.0 0.0 3.89 664 532 A 16 PRO HBy A 3 LEU HDx% 1.0 0.0 3.89 665 533 A 3 LEU HDx% A 16 PRO HG2 1.0 0.0 4.77 666 533 A 3 LEU HDy% A 16 PRO HG2 1.0 0.0 4.77 667 533 A 16 PRO HG3 A 3 LEU HDy% 1.0 0.0 4.77 668 533 A 16 PRO HG3 A 3 LEU HDx% 1.0 0.0 4.77 669 534 A 16 PRO HDx A 3 LEU HDy% 1.0 0.0 4.55 670 534 A 16 PRO HDx A 3 LEU HDx% 1.0 0.0 4.55 671 535 A 16 PRO HDy A 3 LEU HDy% 1.0 0.0 4.28 672 535 A 16 PRO HDy A 3 LEU HDx% 1.0 0.0 4.28 673 536 A 17 GLU H A 3 LEU HDy% 1.0 0.0 5.06 674 536 A 17 GLU H A 3 LEU HDx% 1.0 0.0 5.06 675 537 A 26 ALA HB% A 3 LEU HDy% 1.0 0.0 3.43 676 537 A 26 ALA HB% A 3 LEU HDx% 1.0 0.0 3.43 677 538 A 4 ARG HA A 13 LYS HGy 1.0 0.0 4.92 678 538 A 4 ARG HA A 13 LYS HGx 1.0 0.0 4.92 679 539 A 6 GLY H A 6 GLY HAy 1.0 0.0 2.54 680 539 A 6 GLY H A 6 GLY HAx 1.0 0.0 2.54 681 540 A 25 GLU HBy A 6 GLY HAy 1.0 0.0 4.50 682 540 A 25 GLU HBy A 6 GLY HAx 1.0 0.0 4.50 683 541 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 3.65 684 541 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 3.65 685 541 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 3.65 686 541 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 3.65 687 542 A 26 ALA HB% A 6 GLY HAy 1.0 0.0 5.34 688 542 A 26 ALA HB% A 6 GLY HAx 1.0 0.0 5.34 689 543 A 27 TYR HD% A 6 GLY HAy 1.0 0.0 4.66 690 543 A 27 TYR HD% A 6 GLY HAx 1.0 0.0 4.66 691 544 A 27 TYR HE% A 6 GLY HAy 1.0 0.0 4.08 692 544 A 27 TYR HE% A 6 GLY HAx 1.0 0.0 4.08 693 545 A 8 PRO HG3 A 9 ASP HBy 1.0 0.0 5.08 694 545 A 8 PRO HG2 A 9 ASP HBy 1.0 0.0 5.08 695 545 A 9 ASP HBx A 8 PRO HG2 1.0 0.0 5.08 696 545 A 8 PRO HG3 A 9 ASP HBx 1.0 0.0 5.08 697 546 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.01 698 546 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.01 699 547 A 10 CYS H A 9 ASP HBy 1.0 0.0 3.99 700 547 A 10 CYS H A 9 ASP HBx 1.0 0.0 3.99 701 548 A 49 CYS HA A 9 ASP HBy 1.0 0.0 3.97 702 548 A 49 CYS HA A 9 ASP HBx 1.0 0.0 3.97 703 549 A 9 ASP HBy A 49 CYS HBx 1.0 0.0 3.84 704 549 A 9 ASP HBx A 49 CYS HBx 1.0 0.0 3.84 705 549 A 49 CYS HBy A 9 ASP HBy 1.0 0.0 3.84 706 549 A 9 ASP HBx A 49 CYS HBy 1.0 0.0 3.84 707 550 A 10 CYS H A 49 CYS HBx 1.0 0.0 4.86 708 550 A 10 CYS H A 49 CYS HBy 1.0 0.0 4.86 709 551 A 10 CYS HA A 49 CYS HBx 1.0 0.0 4.29 710 551 A 10 CYS HA A 49 CYS HBy 1.0 0.0 4.29 711 552 A 10 CYS HBy A 49 CYS HBx 1.0 0.0 4.73 712 552 A 10 CYS HBy A 49 CYS HBy 1.0 0.0 4.73 713 553 A 11 HIS HE1 A 11 HIS HBx 1.0 0.0 4.61 714 553 A 11 HIS HBy A 11 HIS HE1 1.0 0.0 4.61 715 554 A 12 CYS HBy A 28 CYS HBy 1.0 0.0 4.39 716 554 A 12 CYS HBy A 28 CYS HBx 1.0 0.0 4.39 717 555 A 13 LYS H A 13 LYS HGy 1.0 0.0 4.30 718 555 A 13 LYS H A 13 LYS HGx 1.0 0.0 4.30 719 556 A 13 LYS H A 13 LYS HDy 1.0 0.0 5.34 720 556 A 13 LYS H A 13 LYS HDx 1.0 0.0 5.34 721 557 A 13 LYS HA A 13 LYS HDy 1.0 0.0 3.80 722 557 A 13 LYS HA A 13 LYS HDx 1.0 0.0 3.80 723 558 A 14 VAL HA A 13 LYS HDy 1.0 0.0 4.68 724 558 A 14 VAL HA A 13 LYS HDx 1.0 0.0 4.68 725 559 A 14 VAL HGy% A 13 LYS HDy 1.0 0.0 5.29 726 559 A 14 VAL HGy% A 13 LYS HDx 1.0 0.0 5.29 727 560 A 16 PRO HDy A 13 LYS HDy 1.0 0.0 5.34 728 560 A 16 PRO HDy A 13 LYS HDx 1.0 0.0 5.34 729 561 A 14 VAL HGx% A 19 VAL HGx% 1.0 0.0 2.81 730 561 A 14 VAL HGx% A 19 VAL HGy% 1.0 0.0 2.81 731 562 A 14 VAL HGx% A 28 CYS HBy 1.0 0.0 4.07 732 562 A 14 VAL HGx% A 28 CYS HBx 1.0 0.0 4.07 733 563 A 14 VAL HGy% A 19 VAL HGx% 1.0 0.0 5.20 734 563 A 14 VAL HGy% A 19 VAL HGy% 1.0 0.0 5.20 735 564 A 14 VAL HGy% A 28 CYS HBy 1.0 0.0 3.18 736 564 A 14 VAL HGy% A 28 CYS HBx 1.0 0.0 3.18 737 565 A 15 ASP HBy A 17 GLU HBx 1.0 0.0 4.14 738 565 A 15 ASP HBy A 17 GLU HBy 1.0 0.0 4.14 739 566 A 15 ASP HBy A 19 VAL HGx% 1.0 0.0 5.36 740 566 A 15 ASP HBy A 19 VAL HGy% 1.0 0.0 5.36 741 567 A 16 PRO HA A 19 VAL HGx% 1.0 0.0 3.27 742 567 A 16 PRO HA A 19 VAL HGy% 1.0 0.0 3.27 743 568 A 16 PRO HDx A 17 GLU HGx 1.0 0.0 4.96 744 568 A 16 PRO HDx A 17 GLU HGy 1.0 0.0 4.96 745 569 A 16 PRO HDx A 19 VAL HGx% 1.0 0.0 5.44 746 569 A 16 PRO HDx A 19 VAL HGy% 1.0 0.0 5.44 747 570 A 17 GLU H A 17 GLU HBx 1.0 0.0 2.77 748 570 A 17 GLU H A 17 GLU HBy 1.0 0.0 2.77 749 571 A 17 GLU HA A 17 GLU HGx 1.0 0.0 3.17 750 571 A 17 GLU HA A 17 GLU HGy 1.0 0.0 3.17 751 572 A 17 GLU HBx A 17 GLU HGx 1.0 0.0 2.19 752 572 A 17 GLU HBy A 17 GLU HGx 1.0 0.0 2.19 753 572 A 17 GLU HGy A 17 GLU HBx 1.0 0.0 2.19 754 572 A 17 GLU HBy A 17 GLU HGy 1.0 0.0 2.19 755 573 A 18 ARG H A 17 GLU HGx 1.0 0.0 4.72 756 573 A 18 ARG H A 17 GLU HGy 1.0 0.0 4.72 757 574 A 18 ARG H A 19 VAL HGx% 1.0 0.0 4.09 758 574 A 18 ARG H A 19 VAL HGy% 1.0 0.0 4.09 759 575 A 19 VAL H A 19 VAL HGx% 1.0 0.0 3.30 760 575 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.30 761 576 A 19 VAL HA A 20 PHE HBy 1.0 0.0 4.52 762 576 A 19 VAL HA A 20 PHE HBx 1.0 0.0 4.52 763 577 A 20 PHE H A 19 VAL HGx% 1.0 0.0 3.53 764 577 A 20 PHE H A 19 VAL HGy% 1.0 0.0 3.53 765 578 A 21 ASN HA A 19 VAL HGx% 1.0 0.0 3.83 766 578 A 21 ASN HA A 19 VAL HGy% 1.0 0.0 3.83 767 579 A 19 VAL HGx% A 21 ASN HD22 1.0 0.0 3.60 768 579 A 19 VAL HGy% A 21 ASN HD22 1.0 0.0 3.60 769 579 A 21 ASN HD21 A 19 VAL HGx% 1.0 0.0 3.60 770 579 A 19 VAL HGy% A 21 ASN HD21 1.0 0.0 3.60 771 580 A 26 ALA H A 19 VAL HGx% 1.0 0.0 4.56 772 580 A 26 ALA H A 19 VAL HGy% 1.0 0.0 4.56 773 581 A 26 ALA HA A 19 VAL HGx% 1.0 0.0 3.50 774 581 A 26 ALA HA A 19 VAL HGy% 1.0 0.0 3.50 775 582 A 27 TYR H A 19 VAL HGx% 1.0 0.0 3.64 776 582 A 27 TYR H A 19 VAL HGy% 1.0 0.0 3.64 777 583 A 20 PHE H A 20 PHE HBy 1.0 0.0 3.25 778 583 A 20 PHE H A 20 PHE HBx 1.0 0.0 3.25 779 584 A 20 PHE HDx A 20 PHE HBy 1.0 0.0 3.19 780 584 A 20 PHE HDx A 20 PHE HBx 1.0 0.0 3.19 781 585 A 29 SER H A 20 PHE HBy 1.0 0.0 5.34 782 585 A 29 SER H A 20 PHE HBx 1.0 0.0 5.34 783 586 A 29 SER HA A 20 PHE HBy 1.0 0.0 4.41 784 586 A 29 SER HA A 20 PHE HBx 1.0 0.0 4.41 785 587 A 33 ALA HB% A 20 PHE HBy 1.0 0.0 3.57 786 587 A 33 ALA HB% A 20 PHE HBx 1.0 0.0 3.57 787 588 A 21 ASN H A 21 ASN HBx 1.0 0.0 3.65 788 588 A 21 ASN H A 21 ASN HBy 1.0 0.0 3.65 789 589 A 21 ASN HA A 22 HIS HBx 1.0 0.0 4.81 790 589 A 21 ASN HA A 22 HIS HBy 1.0 0.0 4.81 791 590 A 26 ALA HB% A 21 ASN HD22 1.0 0.0 5.34 792 590 A 26 ALA HB% A 21 ASN HD21 1.0 0.0 5.34 793 591 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 3.95 794 591 A 27 TYR HD% A 22 HIS HBy 1.0 0.0 3.95 795 592 A 33 ALA HA A 22 HIS HBx 1.0 0.0 4.06 796 592 A 33 ALA HA A 22 HIS HBy 1.0 0.0 4.06 797 593 A 33 ALA HB% A 22 HIS HBx 1.0 0.0 3.01 798 593 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 3.01 799 594 A 22 HIS HE1 A 34 GLU HGx 1.0 0.0 4.33 800 594 A 22 HIS HE1 A 34 GLU HGy 1.0 0.0 4.33 801 595 A 23 ASP HA A 24 GLY HAx 1.0 0.0 4.93 802 595 A 23 ASP HA A 24 GLY HAy 1.0 0.0 4.93 803 596 A 24 GLY HAy A 25 GLU HG2 1.0 0.0 5.34 804 596 A 25 GLU HG3 A 24 GLY HAx 1.0 0.0 5.34 805 596 A 25 GLU HG3 A 24 GLY HAy 1.0 0.0 5.34 806 596 A 24 GLY HAx A 25 GLU HG2 1.0 0.0 5.34 807 597 A 27 TYR HBy A 28 CYS HBy 1.0 0.0 5.21 808 597 A 27 TYR HBy A 28 CYS HBx 1.0 0.0 5.21 809 598 A 28 CYS HA A 28 CYS HBy 1.0 0.0 2.64 810 598 A 28 CYS HA A 28 CYS HBx 1.0 0.0 2.64 811 599 A 44 HIS HE1 A 28 CYS HBy 1.0 0.0 3.70 812 599 A 44 HIS HE1 A 28 CYS HBx 1.0 0.0 3.70 813 600 A 30 GLN HE22 A 29 SER HBy 1.0 0.0 4.10 814 600 A 30 GLN HE21 A 29 SER HBy 1.0 0.0 4.10 815 600 A 30 GLN HE22 A 29 SER HBx 1.0 0.0 4.10 816 600 A 30 GLN HE21 A 29 SER HBx 1.0 0.0 4.10 817 601 A 31 ALA H A 29 SER HBy 1.0 0.0 4.06 818 601 A 31 ALA H A 29 SER HBx 1.0 0.0 4.06 819 602 A 31 ALA HB% A 29 SER HBy 1.0 0.0 4.11 820 602 A 31 ALA HB% A 29 SER HBx 1.0 0.0 4.11 821 603 A 32 CYS H A 29 SER HBy 1.0 0.0 4.66 822 603 A 32 CYS H A 29 SER HBx 1.0 0.0 4.66 823 604 A 42 CYS HA A 29 SER HBy 1.0 0.0 4.42 824 604 A 42 CYS HA A 29 SER HBx 1.0 0.0 4.42 825 605 A 29 SER HBy A 42 CYS HB2 1.0 0.0 4.35 826 605 A 29 SER HBx A 42 CYS HB2 1.0 0.0 4.35 827 605 A 42 CYS HB3 A 29 SER HBy 1.0 0.0 4.35 828 605 A 42 CYS HB3 A 29 SER HBx 1.0 0.0 4.35 829 606 A 29 SER HBx A 43 PRO HDy 1.0 0.0 3.15 830 606 A 29 SER HBy A 43 PRO HDy 1.0 0.0 3.15 831 606 A 43 PRO HDx A 29 SER HBy 1.0 0.0 3.15 832 606 A 29 SER HBx A 43 PRO HDx 1.0 0.0 3.15 833 607 A 30 GLN HA A 30 GLN HE21 1.0 0.0 5.34 834 607 A 30 GLN HA A 30 GLN HE22 1.0 0.0 5.34 835 608 A 30 GLN HA A 34 GLU HGx 1.0 0.0 5.02 836 608 A 30 GLN HA A 34 GLU HGy 1.0 0.0 5.02 837 609 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 3.17 838 609 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 3.17 839 609 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 3.17 840 609 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 3.17 841 610 A 31 ALA HB% A 30 GLN HE21 1.0 0.0 4.62 842 610 A 31 ALA HB% A 30 GLN HE22 1.0 0.0 4.62 843 611 A 32 CYS H A 30 GLN HE21 1.0 0.0 5.29 844 611 A 32 CYS H A 30 GLN HE22 1.0 0.0 5.29 845 612 A 30 GLN HE21 A 43 PRO HDy 1.0 0.0 4.69 846 612 A 30 GLN HE21 A 43 PRO HDx 1.0 0.0 4.69 847 612 A 30 GLN HE22 A 43 PRO HDx 1.0 0.0 4.69 848 612 A 30 GLN HE22 A 43 PRO HDy 1.0 0.0 4.69 849 613 A 31 ALA HA A 34 GLU HGx 1.0 0.0 4.65 850 613 A 31 ALA HA A 34 GLU HGy 1.0 0.0 4.65 851 614 A 31 ALA HA A 40 GLU HGx 1.0 0.0 4.91 852 614 A 31 ALA HA A 40 GLU HGy 1.0 0.0 4.91 853 615 A 31 ALA HB% A 40 GLU HBy 1.0 0.0 3.89 854 615 A 31 ALA HB% A 40 GLU HBx 1.0 0.0 3.89 855 616 A 31 ALA HB% A 40 GLU HGx 1.0 0.0 3.19 856 616 A 31 ALA HB% A 40 GLU HGy 1.0 0.0 3.19 857 617 A 31 ALA HB% A 43 PRO HDy 1.0 0.0 3.83 858 617 A 31 ALA HB% A 43 PRO HDx 1.0 0.0 3.83 859 618 A 34 GLU H A 34 GLU HGx 1.0 0.0 3.70 860 618 A 34 GLU H A 34 GLU HGy 1.0 0.0 3.70 861 619 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.05 862 619 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.05 863 620 A 34 GLU HGy A 37 PRO HD2 1.0 0.0 4.52 864 620 A 34 GLU HGx A 37 PRO HD2 1.0 0.0 4.52 865 620 A 37 PRO HD3 A 34 GLU HGx 1.0 0.0 4.52 866 620 A 37 PRO HD3 A 34 GLU HGy 1.0 0.0 4.52 867 621 A 36 HIS HD2 A 35 GLN HBx 1.0 0.0 5.24 868 621 A 36 HIS HD2 A 35 GLN HBy 1.0 0.0 5.24 869 622 A 36 HIS HA A 40 GLU HGx 1.0 0.0 4.10 870 622 A 36 HIS HA A 40 GLU HGy 1.0 0.0 4.10 871 623 A 36 HIS HBy A 39 GLY HAy 1.0 0.0 3.80 872 623 A 36 HIS HBy A 39 GLY HAx 1.0 0.0 3.80 873 624 A 36 HIS HBy A 40 GLU HBy 1.0 0.0 5.34 874 624 A 36 HIS HBy A 40 GLU HBx 1.0 0.0 5.34 875 625 A 36 HIS HE1 A 41 PRO HBx 1.0 0.0 5.34 876 625 A 36 HIS HE1 A 41 PRO HBy 1.0 0.0 5.34 877 626 A 36 HIS HE1 A 50 GLU HGx 1.0 0.0 3.85 878 626 A 36 HIS HE1 A 50 GLU HGy 1.0 0.0 3.85 879 627 A 39 GLY H A 40 GLU HBy 1.0 0.0 5.34 880 627 A 39 GLY H A 40 GLU HBx 1.0 0.0 5.34 881 628 A 39 GLY H A 50 GLU HGx 1.0 0.0 5.34 882 628 A 39 GLY H A 50 GLU HGy 1.0 0.0 5.34 883 629 A 39 GLY HAx A 50 GLU HB2 1.0 0.0 4.44 884 629 A 39 GLY HAy A 50 GLU HB2 1.0 0.0 4.44 885 629 A 50 GLU HB3 A 39 GLY HAy 1.0 0.0 4.44 886 629 A 50 GLU HB3 A 39 GLY HAx 1.0 0.0 4.44 887 630 A 40 GLU HA A 40 GLU HGx 1.0 0.0 3.55 888 630 A 40 GLU HA A 40 GLU HGy 1.0 0.0 3.55 889 631 A 40 GLU HA A 41 PRO HBx 1.0 0.0 4.87 890 631 A 40 GLU HA A 41 PRO HBy 1.0 0.0 4.87 891 632 A 40 GLU HA A 41 PRO HGx 1.0 0.0 4.54 892 632 A 40 GLU HA A 41 PRO HGy 1.0 0.0 4.54 893 633 A 40 GLU HA A 50 GLU HGx 1.0 0.0 4.08 894 633 A 40 GLU HA A 50 GLU HGy 1.0 0.0 4.08 895 634 A 41 PRO HDx A 40 GLU HBy 1.0 0.0 3.05 896 634 A 41 PRO HDx A 40 GLU HBx 1.0 0.0 3.05 897 635 A 41 PRO HDy A 40 GLU HBy 1.0 0.0 4.19 898 635 A 41 PRO HDy A 40 GLU HBx 1.0 0.0 4.19 899 636 A 41 PRO HDx A 40 GLU HGx 1.0 0.0 4.88 900 636 A 41 PRO HDx A 40 GLU HGy 1.0 0.0 4.88 901 637 A 41 PRO HA A 50 GLU HGx 1.0 0.0 4.02 902 637 A 41 PRO HA A 50 GLU HGy 1.0 0.0 4.02 903 638 A 41 PRO HDy A 50 GLU HGx 1.0 0.0 3.99 904 638 A 41 PRO HDy A 50 GLU HGy 1.0 0.0 3.99 905 639 A 42 CYS HA A 43 PRO HDy 1.0 0.0 2.72 906 639 A 42 CYS HA A 43 PRO HDx 1.0 0.0 2.72 907 640 A 42 CYS HB3 A 43 PRO HDy 1.0 0.0 3.27 908 640 A 42 CYS HB2 A 43 PRO HDy 1.0 0.0 3.27 909 640 A 43 PRO HDx A 42 CYS HB2 1.0 0.0 3.27 910 640 A 42 CYS HB3 A 43 PRO HDx 1.0 0.0 3.27 911 641 A 44 HIS H A 43 PRO HDy 1.0 0.0 4.65 912 641 A 44 HIS H A 43 PRO HDx 1.0 0.0 4.65 913 642 A 44 HIS HE1 A 43 PRO HDy 1.0 0.0 5.35 914 642 A 44 HIS HE1 A 43 PRO HDx 1.0 0.0 5.35 915 643 A 45 PRO HG3 A 46 ASP HBx 1.0 0.0 4.94 916 643 A 46 ASP HBy A 45 PRO HG2 1.0 0.0 4.94 917 643 A 45 PRO HG3 A 46 ASP HBy 1.0 0.0 4.94 918 643 A 45 PRO HG2 A 46 ASP HBx 1.0 0.0 4.94 919 644 A 45 PRO HDx A 46 ASP HBx 1.0 0.0 4.43 920 644 A 45 PRO HDx A 46 ASP HBy 1.0 0.0 4.43 921 645 A 47 CYS H A 48 HIS HBx 1.0 0.0 5.34 922 645 A 47 CYS H A 48 HIS HBy 1.0 0.0 5.34 923 646 A 47 CYS HA A 48 HIS HBx 1.0 0.0 4.62 924 646 A 47 CYS HA A 48 HIS HBy 1.0 0.0 4.62 925 647 A 48 HIS HD2 A 48 HIS HBx 1.0 0.0 3.48 926 647 A 48 HIS HBy A 48 HIS HD2 1.0 0.0 3.48 927 648 A 48 HIS HE1 A 48 HIS HBx 1.0 0.0 4.46 928 648 A 48 HIS HBy A 48 HIS HE1 1.0 0.0 4.46 929 649 A 49 CYS H A 49 CYS HBx 1.0 0.0 3.62 930 649 A 49 CYS HBy A 49 CYS H 1.0 0.0 3.62 931 650 A 51 ARG H A 50 GLU HGx 1.0 0.0 4.24 932 650 A 51 ARG H A 50 GLU HGy 1.0 0.0 4.24 933 651 A 51 ARG HA A 50 GLU HGx 1.0 0.0 5.09 934 651 A 51 ARG HA A 50 GLU HGy 1.0 0.0 5.09 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 -103.3 -61.1 PHI 2 2 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ARG N 1.0 113.1 161.3 PSI 3 3 A 3 LEU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -132.6 -46.6 PHI 4 4 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 125.0 166.4 PSI 5 5 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -82.7 -42.7 PHI 6 6 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 GLY N 1.0 120.7 160.7 PSI 7 7 A 6 GLY C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -160.9 -25.9 PHI 8 8 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 PRO N 1.0 93.2 182.0 PSI 9 9 A 9 ASP C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -180.1 -65.5 PHI 10 10 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 HIS N 1.0 119.4 165.6 PSI 11 11 A 10 CYS C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -109.5 -61.5 PHI 12 12 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 CYS N 1.0 103.3 157.5 PSI 13 13 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -109.3 -58.5 PHI 14 14 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 106.8 160.6 PSI 15 15 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -132.3 -59.7 PHI 16 16 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 90.6 135.0 PSI 17 17 A 16 PRO C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -96.8 -56.8 PHI 18 18 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 -34.1 5.9 PSI 19 19 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -123.3 -57.7 PHI 20 20 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 PHE N 1.0 111.9 152.3 PSI 21 21 A 19 VAL C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -131.6 -69.0 PHI 22 22 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 ASN N 1.0 109.9 149.9 PSI 23 23 A 20 PHE C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -144.3 -78.5 PHI 24 24 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 101.2 158.6 PSI 25 25 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -165.8 -125.8 PHI 26 26 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASP N 1.0 109.3 149.3 PSI 27 27 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 32.8 72.8 PHI 28 28 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLY N 1.0 21.4 61.4 PSI 29 29 A 23 ASP C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 56.6 96.6 PHI 30 30 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 GLU N 1.0 -11.1 28.9 PSI 31 31 A 24 GLY C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -141.6 -101.4 PHI 32 32 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 128.1 168.1 PSI 33 33 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -138.1 -65.3 PHI 34 34 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 112.8 160.4 PSI 35 35 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -151.8 -106.6 PHI 36 36 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 130.0 170.0 PSI 37 37 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -176.3 -136.3 PHI 38 38 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 145.7 185.7 PSI 39 39 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -85.0 -45.0 PHI 40 40 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 ALA N 1.0 -55.3 -15.3 PSI 41 41 A 30 GLN C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -82.3 -42.3 PHI 42 42 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 CYS N 1.0 -60.2 -20.2 PSI 43 43 A 31 ALA C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -85.8 -45.8 PHI 44 44 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ALA N 1.0 -56.9 -16.9 PSI 45 45 A 32 CYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -84.3 -44.3 PHI 46 46 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 GLU N 1.0 -53.5 -13.5 PSI 47 47 A 33 ALA C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -111.3 -71.3 PHI 48 48 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLN N 1.0 -16.9 24.5 PSI 49 49 A 34 GLU C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 37.7 77.7 PHI 50 50 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 HIS N 1.0 19.0 59.0 PSI 51 51 A 37 PRO C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -131.3 -69.1 PHI 52 52 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 GLY N 1.0 -36.5 28.9 PSI 53 53 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -108.7 -64.7 PHI 54 54 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PRO N 1.0 112.3 159.9 PSI 55 55 A 41 PRO C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -141.4 -36.8 PHI 56 56 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 PRO N 1.0 108.9 169.1 PSI 57 57 A 43 PRO C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -179.8 -58.8 PHI 58 58 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 PRO N 1.0 96.0 162.6 PSI 59 59 A 45 PRO C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -99.9 -59.9 PHI 60 60 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 CYS N 1.0 -34.7 5.3 PSI 61 61 A 50 GLU C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -88.9 -48.9 PHI 62 62 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 SER N 1.0 125.5 165.5 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13 . . . . 2 ppm . . 35 . . . . 3 ppm . . 20.0042 . . . . 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 . . 30 . . . . 3 ppm . . 11.0208 . . . . 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 . . . . 3 ppm . . 11.0208 . . . . stop_ save_