data_nef_c30030_5ij4 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5IJ4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 8 CYS SG 2 1 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 21 CYS SG 2 2 ZN ZN 1 24 CYS SG 2 2 ZN ZN 1 29 CYS SG 2 1 ZN ZN 1 32 HIS ND1 2 1 ZN ZN 1 38 HIS NE2 2 2 ZN ZN 1 40 CYS SG 2 2 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 11 MET start . . 2 A 12 LEU middle . . 3 A 13 ASP middle . . 4 A 14 VAL middle . . 5 A 15 GLY middle . false 6 A 16 LYS middle . . 7 A 17 HIS middle . . 8 A 18 CYS middle -HG . 9 A 19 ALA middle . . 10 A 20 TYR middle . . 11 A 21 CYS middle -HG . 12 A 22 ARG middle . . 13 A 23 GLN middle . . 14 A 24 LEU middle . . 15 A 25 ASP middle . . 16 A 26 PHE middle . . 17 A 27 LEU middle . . 18 A 28 PRO middle . false 19 A 29 PHE middle . . 20 A 30 HIS middle . . 21 A 31 CYS middle -HG . 22 A 32 SER middle . . 23 A 33 PHE middle . . 24 A 34 CYS middle -HG . 25 A 35 ASN middle . . 26 A 36 GLU middle . . 27 A 37 ASP middle . . 28 A 38 PHE middle . . 29 A 39 CYS middle -HG . 30 A 40 SER middle . . 31 A 41 ASN middle . . 32 A 42 HIS middle -HD1 . 33 A 43 ARG middle . . 34 A 44 LEU middle . . 35 A 45 LYS middle . . 36 A 46 GLU middle . . 37 A 47 ASP middle . . 38 A 48 HIS middle -HE2 . 39 A 49 HIS middle . . 40 A 50 CYS middle -HG . 41 A 51 ARG middle . . 42 A 52 TRP middle . . 43 A 53 LEU middle . . 44 A 54 LEU middle . . 45 A 55 GLU middle . . 46 A 56 HIS middle . . 47 A 57 GLU middle . . 48 A 58 GLU middle . . 49 A 59 VAL end . . 50 B 1 ZN . . . 51 B 2 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 11 MET H H 1 7.970 0.000 A 11 MET HA H 1 4.395 0.000 A 11 MET HBy H 1 2.046 0.000 A 11 MET HBx H 1 1.986 0.000 A 11 MET HGy H 1 2.533 0.000 A 11 MET HGx H 1 2.455 0.000 A 11 MET C C 13 176.187 0.000 A 11 MET CA C 13 55.576 0.000 A 11 MET CB C 13 32.577 0.000 A 11 MET CG C 13 32.121 0.000 A 11 MET N N 15 119.773 0.000 A 12 LEU H H 1 7.995 0.000 A 12 LEU HA H 1 4.286 0.000 A 12 LEU HBy H 1 1.639 0.000 A 12 LEU HBx H 1 1.535 0.000 A 12 LEU HDx% H 1 0.847 0.000 A 12 LEU HDy% H 1 0.814 0.000 A 12 LEU HG H 1 1.613 0.000 A 12 LEU C C 13 177.072 0.000 A 12 LEU CA C 13 55.474 0.000 A 12 LEU CB C 13 42.474 0.000 A 12 LEU CDy C 13 25.077 0.000 A 12 LEU CDx C 13 23.333 0.000 A 12 LEU N N 15 122.117 0.000 A 13 ASP H H 1 8.267 0.000 A 13 ASP HA H 1 4.630 0.000 A 13 ASP HBy H 1 2.733 0.000 A 13 ASP HBx H 1 2.614 0.000 A 13 ASP C C 13 176.149 0.000 A 13 ASP CA C 13 54.552 0.000 A 13 ASP CB C 13 41.130 0.000 A 13 ASP N N 15 120.380 0.000 A 14 VAL H H 1 7.881 0.000 A 14 VAL HA H 1 4.233 0.000 A 14 VAL HB H 1 2.169 0.000 A 14 VAL HGx% H 1 0.938 0.000 A 14 VAL HGy% H 1 0.923 0.000 A 14 VAL C C 13 176.128 0.000 A 14 VAL CA C 13 61.977 0.000 A 14 VAL CB C 13 33.046 0.000 A 14 VAL CGy C 13 21.331 0.000 A 14 VAL CGx C 13 20.053 0.000 A 14 VAL N N 15 117.840 0.000 A 15 GLY H H 1 8.212 0.000 A 15 GLY HAx H 1 3.478 0.000 A 15 GLY HAy H 1 3.822 0.000 A 15 GLY C C 13 172.973 0.000 A 15 GLY CA C 13 44.873 0.000 A 15 GLY N N 15 109.871 0.000 A 16 LYS H H 1 7.830 0.000 A 16 LYS HA H 1 4.466 0.000 A 16 LYS HBy H 1 1.652 0.000 A 16 LYS HBx H 1 1.342 0.000 A 16 LYS HDy H 1 1.637 0.000 A 16 LYS HDx H 1 1.509 0.000 A 16 LYS HE2 H 1 2.909 0.000 A 16 LYS HE3 H 1 2.909 0.000 A 16 LYS HG2 H 1 1.328 0.000 A 16 LYS HG3 H 1 1.328 0.000 A 16 LYS C C 13 175.302 0.000 A 16 LYS CA C 13 54.426 0.000 A 16 LYS CB C 13 35.858 0.000 A 16 LYS CD C 13 28.930 0.000 A 16 LYS CE C 13 42.249 0.000 A 16 LYS CG C 13 25.033 0.000 A 16 LYS N N 15 118.074 0.000 A 17 HIS H H 1 8.473 0.000 A 17 HIS HA H 1 4.392 0.000 A 17 HIS HBy H 1 2.746 0.000 A 17 HIS HBx H 1 2.533 0.000 A 17 HIS HD2 H 1 7.007 0.000 A 17 HIS C C 13 174.302 0.000 A 17 HIS CA C 13 56.523 0.000 A 17 HIS CB C 13 30.295 0.000 A 17 HIS N N 15 120.052 0.000 A 18 CYS H H 1 8.638 0.000 A 18 CYS HA H 1 4.121 0.000 A 18 CYS HBy H 1 3.631 0.000 A 18 CYS HBx H 1 3.151 0.000 A 18 CYS C C 13 177.561 0.000 A 18 CYS CA C 13 59.126 0.000 A 18 CYS CB C 13 32.273 0.000 A 18 CYS N N 15 124.988 0.000 A 19 ALA H H 1 9.189 0.000 A 19 ALA HA H 1 4.087 0.000 A 19 ALA HB% H 1 1.241 0.000 A 19 ALA C C 13 177.381 0.000 A 19 ALA CA C 13 54.931 0.000 A 19 ALA CB C 13 18.194 0.000 A 19 ALA N N 15 133.659 0.000 A 20 TYR H H 1 9.153 0.000 A 20 TYR HA H 1 4.710 0.000 A 20 TYR HBy H 1 3.327 0.000 A 20 TYR HBx H 1 2.849 0.000 A 20 TYR HDx H 1 6.301 0.000 A 20 TYR HDy H 1 6.301 0.000 A 20 TYR HEx H 1 6.552 0.000 A 20 TYR HEy H 1 6.552 0.000 A 20 TYR C C 13 176.117 0.000 A 20 TYR CA C 13 60.851 0.000 A 20 TYR CB C 13 40.907 0.000 A 20 TYR CDx C 13 132.042 0.000 A 20 TYR CEx C 13 118.164 0.000 A 20 TYR N N 15 119.187 0.000 A 21 CYS H H 1 8.574 0.000 A 21 CYS HA H 1 4.860 0.000 A 21 CYS HBy H 1 3.578 0.000 A 21 CYS HBx H 1 2.680 0.000 A 21 CYS C C 13 175.977 0.000 A 21 CYS CA C 13 58.635 0.000 A 21 CYS CB C 13 33.807 0.000 A 21 CYS N N 15 117.957 0.000 A 22 ARG H H 1 8.256 0.000 A 22 ARG HA H 1 4.139 0.000 A 22 ARG HBy H 1 2.213 0.000 A 22 ARG HBx H 1 2.084 0.000 A 22 ARG HDy H 1 3.083 0.000 A 22 ARG HDx H 1 3.062 0.000 A 22 ARG HGy H 1 1.538 0.000 A 22 ARG HGx H 1 1.462 0.000 A 22 ARG C C 13 175.139 0.000 A 22 ARG CA C 13 58.326 0.000 A 22 ARG CB C 13 26.949 0.000 A 22 ARG CD C 13 42.402 0.000 A 22 ARG CG C 13 27.156 0.000 A 22 ARG N N 15 116.961 0.000 A 23 GLN H H 1 8.695 0.000 A 23 GLN HA H 1 4.384 0.000 A 23 GLN HBy H 1 2.369 0.000 A 23 GLN HBx H 1 2.059 0.000 A 23 GLN HE2y H 1 7.773 0.000 A 23 GLN HE2x H 1 6.946 0.000 A 23 GLN HGy H 1 2.546 0.000 A 23 GLN HGx H 1 2.493 0.000 A 23 GLN C C 13 176.047 0.000 A 23 GLN CA C 13 56.952 0.000 A 23 GLN CB C 13 30.114 0.000 A 23 GLN CG C 13 34.427 0.000 A 23 GLN N N 15 122.430 0.000 A 23 GLN NE2 N 15 113.839 0.000 A 24 LEU H H 1 8.599 0.000 A 24 LEU HA H 1 3.933 0.000 A 24 LEU HBy H 1 1.436 0.000 A 24 LEU HBx H 1 1.103 0.000 A 24 LEU HDx% H 1 0.515 0.000 A 24 LEU HDy% H 1 0.218 0.000 A 24 LEU HG H 1 0.881 0.000 A 24 LEU C C 13 175.913 0.000 A 24 LEU CA C 13 55.380 0.000 A 24 LEU CB C 13 42.560 0.000 A 24 LEU CDy C 13 24.994 0.000 A 24 LEU CDx C 13 22.710 0.000 A 24 LEU CG C 13 26.691 0.000 A 24 LEU N N 15 126.349 0.000 A 25 ASP H H 1 8.419 0.000 A 25 ASP HA H 1 4.676 0.000 A 25 ASP HBy H 1 2.507 0.000 A 25 ASP HBx H 1 2.238 0.000 A 25 ASP C C 13 175.193 0.000 A 25 ASP CA C 13 53.303 0.000 A 25 ASP CB C 13 44.747 0.000 A 25 ASP N N 15 127.166 0.000 A 26 PHE H H 1 8.429 0.000 A 26 PHE HA H 1 4.411 0.000 A 26 PHE HBy H 1 3.262 0.000 A 26 PHE HBx H 1 2.869 0.000 A 26 PHE HDx H 1 7.184 0.000 A 26 PHE HDy H 1 7.184 0.000 A 26 PHE HEx H 1 7.249 0.000 A 26 PHE HEy H 1 7.249 0.000 A 26 PHE HZ H 1 7.205 0.000 A 26 PHE C C 13 175.318 0.000 A 26 PHE CA C 13 59.308 0.000 A 26 PHE CB C 13 39.065 0.000 A 26 PHE CDx C 13 131.372 0.000 A 26 PHE CEx C 13 131.347 0.000 A 26 PHE CZ C 13 129.760 0.000 A 26 PHE N N 15 123.189 0.000 A 27 LEU H H 1 8.921 0.000 A 27 LEU HA H 1 4.666 0.000 A 27 LEU HBy H 1 1.624 0.000 A 27 LEU HBx H 1 1.453 0.000 A 27 LEU HDx% H 1 0.902 0.000 A 27 LEU HDy% H 1 0.873 0.000 A 27 LEU HG H 1 1.438 0.000 A 27 LEU C C 13 172.997 0.000 A 27 LEU CA C 13 52.335 0.000 A 27 LEU CB C 13 42.418 0.000 A 27 LEU CDx C 13 24.434 0.000 A 27 LEU CDy C 13 24.490 0.000 A 27 LEU CG C 13 26.664 0.000 A 27 LEU N N 15 123.172 0.000 A 28 PRO HA H 1 4.409 0.000 A 28 PRO HBy H 1 1.865 0.000 A 28 PRO HBx H 1 1.734 0.000 A 28 PRO HD2 H 1 3.443 0.000 A 28 PRO HD3 H 1 3.443 0.000 A 28 PRO HGy H 1 1.850 0.000 A 28 PRO HGx H 1 1.717 0.000 A 28 PRO C C 13 176.128 0.000 A 28 PRO CA C 13 63.018 0.000 A 28 PRO CB C 13 32.879 0.000 A 28 PRO CD C 13 49.770 0.000 A 28 PRO CG C 13 26.952 0.000 A 29 PHE H H 1 9.415 0.000 A 29 PHE HA H 1 4.598 0.000 A 29 PHE HB2 H 1 2.956 0.000 A 29 PHE HB3 H 1 2.956 0.000 A 29 PHE HDx H 1 7.295 0.000 A 29 PHE HDy H 1 7.295 0.000 A 29 PHE HEx H 1 7.447 0.000 A 29 PHE HEy H 1 7.447 0.000 A 29 PHE HZ H 1 7.421 0.000 A 29 PHE C C 13 174.464 0.000 A 29 PHE CA C 13 57.344 0.000 A 29 PHE CB C 13 41.485 0.000 A 29 PHE CDx C 13 131.984 0.000 A 29 PHE CEx C 13 131.984 0.000 A 29 PHE CZ C 13 130.072 0.000 A 29 PHE N N 15 121.004 0.000 A 30 HIS H H 1 8.765 0.000 A 30 HIS HA H 1 5.116 0.000 A 30 HIS HBy H 1 3.072 0.000 A 30 HIS HBx H 1 2.923 0.000 A 30 HIS HD2 H 1 6.845 0.000 A 30 HIS HE1 H 1 8.079 0.000 A 30 HIS C C 13 173.765 0.000 A 30 HIS CA C 13 55.129 0.000 A 30 HIS CB C 13 29.531 0.000 A 30 HIS CD2 C 13 119.888 0.000 A 30 HIS CE1 C 13 136.395 0.000 A 30 HIS N N 15 126.259 0.000 A 30 HIS ND1 N 15 178.714 0.000 A 30 HIS NE2 N 15 179.503 0.000 A 31 CYS H H 1 9.019 0.000 A 31 CYS HA H 1 4.689 0.000 A 31 CYS HBy H 1 3.731 0.000 A 31 CYS HBx H 1 2.958 0.000 A 31 CYS C C 13 176.764 0.000 A 31 CYS CA C 13 58.831 0.000 A 31 CYS CB C 13 31.813 0.000 A 31 CYS N N 15 131.375 0.000 A 32 SER H H 1 9.116 0.000 A 32 SER HA H 1 4.199 0.000 A 32 SER HBy H 1 3.742 0.000 A 32 SER HBx H 1 3.662 0.000 A 32 SER C C 13 173.556 0.000 A 32 SER CA C 13 60.382 0.000 A 32 SER CB C 13 62.931 0.000 A 32 SER N N 15 125.498 0.000 A 33 PHE H H 1 8.797 0.000 A 33 PHE HA H 1 4.028 0.000 A 33 PHE HBy H 1 2.995 0.000 A 33 PHE HBx H 1 2.554 0.000 A 33 PHE HDx H 1 6.404 0.000 A 33 PHE HDy H 1 6.404 0.000 A 33 PHE HEx H 1 7.001 0.000 A 33 PHE HEy H 1 7.001 0.000 A 33 PHE HZ H 1 7.072 0.000 A 33 PHE C C 13 176.327 0.000 A 33 PHE CA C 13 60.543 0.000 A 33 PHE CB C 13 38.639 0.000 A 33 PHE CDx C 13 131.923 0.000 A 33 PHE CEx C 13 131.066 0.000 A 33 PHE CZ C 13 129.649 0.000 A 33 PHE N N 15 121.941 0.000 A 34 CYS H H 1 7.964 0.000 A 34 CYS HA H 1 5.026 0.000 A 34 CYS HBy H 1 3.592 0.000 A 34 CYS HBx H 1 3.500 0.000 A 34 CYS C C 13 175.512 0.000 A 34 CYS CA C 13 58.093 0.000 A 34 CYS CB C 13 32.766 0.000 A 34 CYS N N 15 116.575 0.000 A 35 ASN H H 1 8.034 0.000 A 35 ASN HA H 1 4.282 0.000 A 35 ASN HBy H 1 3.303 0.000 A 35 ASN HBx H 1 2.732 0.000 A 35 ASN HD2y H 1 7.588 0.000 A 35 ASN HD2x H 1 6.755 0.000 A 35 ASN C C 13 173.416 0.000 A 35 ASN CA C 13 54.593 0.000 A 35 ASN CB C 13 37.536 0.000 A 35 ASN N N 15 119.305 0.000 A 35 ASN ND2 N 15 112.273 0.000 A 36 GLU H H 1 7.252 0.000 A 36 GLU HA H 1 4.604 0.000 A 36 GLU HBy H 1 2.105 0.000 A 36 GLU HBx H 1 1.467 0.000 A 36 GLU HGy H 1 2.283 0.000 A 36 GLU HGx H 1 2.226 0.000 A 36 GLU C C 13 172.950 0.000 A 36 GLU CA C 13 54.734 0.000 A 36 GLU CB C 13 32.856 0.000 A 36 GLU CG C 13 35.806 0.000 A 36 GLU N N 15 118.124 0.000 A 37 ASP H H 1 8.175 0.000 A 37 ASP HA H 1 5.466 0.000 A 37 ASP HBy H 1 2.290 0.000 A 37 ASP HBx H 1 2.136 0.000 A 37 ASP C C 13 174.161 0.000 A 37 ASP CA C 13 53.537 0.000 A 37 ASP CB C 13 44.647 0.000 A 37 ASP N N 15 118.267 0.000 A 38 PHE H H 1 9.026 0.000 A 38 PHE HA H 1 5.662 0.000 A 38 PHE HBy H 1 3.412 0.000 A 38 PHE HBx H 1 2.489 0.000 A 38 PHE HDy H 1 7.727 0.000 A 38 PHE HDx H 1 6.797 0.000 A 38 PHE HEy H 1 7.297 0.000 A 38 PHE HEx H 1 6.521 0.000 A 38 PHE HZ H 1 6.918 0.000 A 38 PHE C C 13 175.488 0.000 A 38 PHE CA C 13 57.877 0.000 A 38 PHE CB C 13 45.543 0.000 A 38 PHE CDx C 13 130.313 0.000 A 38 PHE CDy C 13 131.502 0.000 A 38 PHE CEy C 13 132.529 0.000 A 38 PHE CEx C 13 131.423 0.000 A 38 PHE CZ C 13 130.927 0.000 A 38 PHE N N 15 116.492 0.000 A 39 CYS H H 1 9.388 0.000 A 39 CYS HA H 1 5.112 0.000 A 39 CYS HBy H 1 3.710 0.000 A 39 CYS HBx H 1 2.988 0.000 A 39 CYS C C 13 176.746 0.000 A 39 CYS CA C 13 57.559 0.000 A 39 CYS CB C 13 31.925 0.000 A 39 CYS N N 15 117.430 0.000 A 40 SER H H 1 8.651 0.000 A 40 SER HA H 1 3.908 0.000 A 40 SER HBy H 1 4.051 0.000 A 40 SER HBx H 1 4.010 0.000 A 40 SER C C 13 176.829 0.000 A 40 SER CA C 13 62.020 0.000 A 40 SER CB C 13 62.951 0.000 A 40 SER N N 15 112.961 0.000 A 41 ASN H H 1 8.148 0.000 A 41 ASN HA H 1 4.446 0.000 A 41 ASN HB2 H 1 2.180 0.000 A 41 ASN HB3 H 1 2.180 0.000 A 41 ASN HD2y H 1 7.614 0.000 A 41 ASN HD2x H 1 7.031 0.000 A 41 ASN C C 13 176.606 0.000 A 41 ASN CA C 13 55.136 0.000 A 41 ASN CB C 13 38.236 0.000 A 41 ASN N N 15 118.191 0.000 A 41 ASN ND2 N 15 114.441 0.000 A 42 HIS H H 1 7.970 0.000 A 42 HIS HA H 1 4.713 0.000 A 42 HIS HBy H 1 3.431 0.000 A 42 HIS HBx H 1 3.250 0.000 A 42 HIS HD2 H 1 6.930 0.000 A 42 HIS HE1 H 1 8.161 0.000 A 42 HIS C C 13 172.973 0.000 A 42 HIS CA C 13 57.119 0.000 A 42 HIS CB C 13 32.070 0.000 A 42 HIS CD2 C 13 119.893 0.000 A 42 HIS CE1 C 13 139.077 0.000 A 42 HIS N N 15 118.543 0.000 A 42 HIS ND1 N 15 217.721 0.000 A 42 HIS NE2 N 15 172.002 0.000 A 43 ARG H H 1 7.086 0.000 A 43 ARG HA H 1 3.811 0.000 A 43 ARG HBy H 1 1.415 0.000 A 43 ARG HBx H 1 1.329 0.000 A 43 ARG HDy H 1 2.464 0.000 A 43 ARG HDx H 1 2.427 0.000 A 43 ARG HGy H 1 1.384 0.000 A 43 ARG HGx H 1 1.038 0.000 A 43 ARG C C 13 176.490 0.000 A 43 ARG CA C 13 59.670 0.000 A 43 ARG CB C 13 30.461 0.000 A 43 ARG CD C 13 43.147 0.000 A 43 ARG CG C 13 26.213 0.000 A 43 ARG N N 15 119.773 0.000 A 44 LEU H H 1 8.481 0.000 A 44 LEU HA H 1 4.154 0.000 A 44 LEU HBy H 1 1.712 0.000 A 44 LEU HBx H 1 1.400 0.000 A 44 LEU HDx% H 1 0.855 0.000 A 44 LEU HDy% H 1 0.799 0.000 A 44 LEU HG H 1 1.607 0.000 A 44 LEU C C 13 178.725 0.000 A 44 LEU CA C 13 55.046 0.000 A 44 LEU CB C 13 40.285 0.000 A 44 LEU CDy C 13 25.184 0.000 A 44 LEU CDx C 13 22.352 0.000 A 44 LEU CG C 13 26.622 0.000 A 44 LEU N N 15 119.944 0.000 A 45 LYS H H 1 8.537 0.000 A 45 LYS HA H 1 2.434 0.000 A 45 LYS HBy H 1 1.572 0.000 A 45 LYS HBx H 1 1.274 0.000 A 45 LYS HDy H 1 1.150 0.000 A 45 LYS HDx H 1 1.122 0.000 A 45 LYS HEy H 1 2.294 0.000 A 45 LYS HEx H 1 2.063 0.000 A 45 LYS HGy H 1 1.725 0.000 A 45 LYS HGx H 1 1.507 0.000 A 45 LYS C C 13 178.236 0.000 A 45 LYS CA C 13 60.555 0.000 A 45 LYS CB C 13 32.221 0.000 A 45 LYS CD C 13 29.398 0.000 A 45 LYS CE C 13 40.495 0.000 A 45 LYS CG C 13 24.777 0.000 A 45 LYS N N 15 121.685 0.000 A 46 GLU H H 1 9.528 0.000 A 46 GLU HA H 1 3.677 0.000 A 46 GLU HBx H 1 1.793 0.000 A 46 GLU HBy H 1 1.793 0.000 A 46 GLU HGy H 1 2.256 0.000 A 46 GLU HGx H 1 2.107 0.000 A 46 GLU C C 13 178.143 0.000 A 46 GLU CA C 13 59.280 0.000 A 46 GLU CB C 13 28.360 0.000 A 46 GLU CG C 13 36.525 0.000 A 46 GLU N N 15 116.444 0.000 A 47 ASP H H 1 6.878 0.000 A 47 ASP HA H 1 4.516 0.000 A 47 ASP HBy H 1 2.752 0.000 A 47 ASP HBx H 1 2.536 0.000 A 47 ASP C C 13 176.420 0.000 A 47 ASP CA C 13 55.586 0.000 A 47 ASP CB C 13 41.444 0.000 A 47 ASP N N 15 117.352 0.000 A 48 HIS H H 1 7.003 0.000 A 48 HIS HA H 1 4.037 0.000 A 48 HIS HBy H 1 3.033 0.000 A 48 HIS HBx H 1 2.433 0.000 A 48 HIS HD1 H 1 10.436 0.000 A 48 HIS HD2 H 1 6.402 0.000 A 48 HIS HE1 H 1 7.397 0.000 A 48 HIS C C 13 172.973 0.000 A 48 HIS CA C 13 54.165 0.000 A 48 HIS CB C 13 28.080 0.000 A 48 HIS CD2 C 13 128.715 0.000 A 48 HIS CE1 C 13 136.782 0.000 A 48 HIS N N 15 111.888 0.000 A 48 HIS ND1 N 15 175.806 0.000 A 48 HIS NE2 N 15 215.747 0.000 A 49 HIS H H 1 7.226 0.000 A 49 HIS HA H 1 3.828 0.000 A 49 HIS HB2 H 1 3.220 0.000 A 49 HIS HB3 H 1 3.220 0.000 A 49 HIS HD2 H 1 6.818 0.000 A 49 HIS HE1 H 1 8.042 0.000 A 49 HIS C C 13 173.183 0.000 A 49 HIS CA C 13 55.746 0.000 A 49 HIS CB C 13 26.538 0.000 A 49 HIS CD2 C 13 120.077 0.000 A 49 HIS CE1 C 13 136.171 0.000 A 49 HIS N N 15 118.133 0.000 A 49 HIS ND1 N 15 186.373 0.000 A 49 HIS NE2 N 15 177.845 0.000 A 50 CYS H H 1 7.455 0.000 A 50 CYS HA H 1 3.998 0.000 A 50 CYS HBy H 1 2.543 0.000 A 50 CYS HBx H 1 2.436 0.000 A 50 CYS C C 13 178.446 0.000 A 50 CYS CA C 13 63.166 0.000 A 50 CYS CB C 13 30.971 0.000 A 50 CYS N N 15 117.917 0.000 A 51 ARG H H 1 9.280 0.000 A 51 ARG HA H 1 4.203 0.000 A 51 ARG HBy H 1 2.125 0.000 A 51 ARG HBx H 1 2.032 0.000 A 51 ARG HD2 H 1 3.374 0.000 A 51 ARG HD3 H 1 3.374 0.000 A 51 ARG HG2 H 1 1.871 0.000 A 51 ARG HG3 H 1 1.871 0.000 A 51 ARG C C 13 177.633 0.000 A 51 ARG CA C 13 59.211 0.000 A 51 ARG CB C 13 30.274 0.000 A 51 ARG CD C 13 43.483 0.000 A 51 ARG CG C 13 27.391 0.000 A 51 ARG N N 15 131.668 0.000 A 52 TRP H H 1 8.542 0.000 A 52 TRP HA H 1 4.370 0.000 A 52 TRP HBy H 1 3.541 0.000 A 52 TRP HBx H 1 3.240 0.000 A 52 TRP HD1 H 1 7.237 0.000 A 52 TRP HE1 H 1 10.214 0.000 A 52 TRP HE3 H 1 7.113 0.000 A 52 TRP HH2 H 1 7.021 0.000 A 52 TRP HZ2 H 1 7.313 0.000 A 52 TRP HZ3 H 1 6.844 0.000 A 52 TRP C C 13 178.259 0.000 A 52 TRP CA C 13 61.099 0.000 A 52 TRP CB C 13 31.152 0.000 A 52 TRP CD1 C 13 127.533 0.000 A 52 TRP CE3 C 13 119.715 0.000 A 52 TRP CH2 C 13 124.585 0.000 A 52 TRP CZ2 C 13 114.741 0.000 A 52 TRP CZ3 C 13 121.754 0.000 A 52 TRP N N 15 121.530 0.000 A 52 TRP NE1 N 15 130.203 0.000 A 53 LEU H H 1 7.646 0.000 A 53 LEU HA H 1 3.950 0.000 A 53 LEU HBy H 1 1.811 0.000 A 53 LEU HBx H 1 1.565 0.000 A 53 LEU HDx% H 1 0.775 0.000 A 53 LEU HDy% H 1 0.906 0.000 A 53 LEU HG H 1 1.561 0.000 A 53 LEU C C 13 178.166 0.000 A 53 LEU CA C 13 56.737 0.000 A 53 LEU CB C 13 41.934 0.000 A 53 LEU CDy C 13 25.344 0.000 A 53 LEU CDx C 13 23.231 0.000 A 53 LEU CG C 13 27.493 0.000 A 53 LEU N N 15 116.211 0.000 A 54 LEU H H 1 7.397 0.000 A 54 LEU HA H 1 4.163 0.000 A 54 LEU HBy H 1 1.789 0.000 A 54 LEU HBx H 1 1.601 0.000 A 54 LEU HDx% H 1 0.918 0.000 A 54 LEU HDy% H 1 0.822 0.000 A 54 LEU HG H 1 1.633 0.000 A 54 LEU C C 13 178.306 0.000 A 54 LEU CA C 13 56.205 0.000 A 54 LEU CB C 13 42.037 0.000 A 54 LEU CDy C 13 25.077 0.000 A 54 LEU CDx C 13 23.029 0.000 A 54 LEU CG C 13 27.014 0.000 A 54 LEU N N 15 117.852 0.000 A 55 GLU H H 1 7.553 0.000 A 55 GLU HA H 1 4.147 0.000 A 55 GLU HBy H 1 1.816 0.000 A 55 GLU HBx H 1 1.710 0.000 A 55 GLU HGy H 1 2.212 0.000 A 55 GLU HGx H 1 2.067 0.000 A 55 GLU C C 13 175.907 0.000 A 55 GLU CA C 13 56.492 0.000 A 55 GLU CB C 13 30.655 0.000 A 55 GLU CG C 13 36.412 0.000 A 55 GLU N N 15 116.902 0.000 A 56 HIS H H 1 7.595 0.000 A 56 HIS HA H 1 4.415 0.000 A 56 HIS HBy H 1 2.706 0.000 A 56 HIS HBx H 1 2.218 0.000 A 56 HIS HD2 H 1 6.728 0.000 A 56 HIS HE1 H 1 8.316 0.000 A 56 HIS C C 13 173.672 0.000 A 56 HIS CA C 13 55.576 0.000 A 56 HIS CB C 13 29.063 0.000 A 56 HIS CD2 C 13 119.297 0.000 A 56 HIS CE1 C 13 136.704 0.000 A 56 HIS N N 15 117.411 0.000 A 56 HIS ND1 N 15 192.381 0.000 A 56 HIS NE2 N 15 176.266 0.000 A 57 GLU H H 1 8.072 0.000 A 57 GLU HA H 1 4.254 0.000 A 57 GLU HBy H 1 1.972 0.000 A 57 GLU HBx H 1 1.872 0.000 A 57 GLU HGy H 1 2.208 0.000 A 57 GLU HGx H 1 2.158 0.000 A 57 GLU C C 13 176.094 0.000 A 57 GLU CA C 13 56.352 0.000 A 57 GLU CB C 13 30.704 0.000 A 57 GLU CG C 13 36.287 0.000 A 57 GLU N N 15 121.390 0.000 A 58 GLU H H 1 8.494 0.000 A 58 GLU HA H 1 4.360 0.000 A 58 GLU HBy H 1 2.054 0.000 A 58 GLU HBx H 1 1.908 0.000 A 58 GLU HGy H 1 2.283 0.000 A 58 GLU HGx H 1 2.221 0.000 A 58 GLU C C 13 175.512 0.000 A 58 GLU CA C 13 56.511 0.000 A 58 GLU CB C 13 30.351 0.000 A 58 GLU CG C 13 36.290 0.000 A 58 GLU N N 15 123.199 0.000 A 59 VAL H H 1 7.785 0.000 A 59 VAL HA H 1 4.050 0.000 A 59 VAL HB H 1 2.079 0.000 A 59 VAL HGx% H 1 0.890 0.000 A 59 VAL HGy% H 1 0.871 0.000 A 59 VAL C C 13 181.007 0.000 A 59 VAL CA C 13 63.582 0.000 A 59 VAL CB C 13 33.290 0.000 A 59 VAL CGy C 13 21.631 0.000 A 59 VAL CGx C 13 20.107 0.000 A 59 VAL N N 15 125.675 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 18 CYS SG B 1 ZN ZN 1.0 . 2.35 2 2 B 1 ZN ZN A 21 CYS SG 1.0 . 2.35 3 3 B 1 ZN ZN A 39 CYS SG 1.0 . 2.35 4 4 B 1 ZN ZN A 42 HIS ND1 1.0 . 2.17 5 5 A 31 CYS SG 3 1 ZN ZN 1.0 . 2.35 6 6 3 1 ZN ZN A 34 CYS SG 1.0 . 2.35 7 7 3 1 ZN ZN A 50 CYS SG 1.0 . 2.35 8 8 3 1 ZN ZN A 48 HIS NE2 1.0 . 2.14 9 9 A 18 CYS SG A 21 CYS SG 1.0 . 3.97 10 10 A 18 CYS SG A 39 CYS SG 1.0 . 3.97 11 11 A 18 CYS SG A 42 HIS ND1 1.0 . 3.55 12 12 A 21 CYS SG A 39 CYS SG 1.0 . 3.97 13 13 A 21 CYS SG A 42 HIS ND1 1.0 . 3.55 14 14 A 39 CYS SG A 42 HIS ND1 1.0 . 3.55 15 15 A 31 CYS SG A 34 CYS SG 1.0 . 4.00 16 16 A 31 CYS SG A 50 CYS SG 1.0 . 4.00 17 17 A 31 CYS SG A 48 HIS NE2 1.0 . 3.49 18 18 A 34 CYS SG A 50 CYS SG 1.0 . 4.00 19 19 A 34 CYS SG A 48 HIS NE2 1.0 . 3.49 20 20 A 50 CYS SG A 48 HIS NE2 1.0 . 3.49 21 21 B 1 ZN ZN A 18 CYS CB 1.0 . 3.27 22 22 B 1 ZN ZN A 21 CYS CB 1.0 . 3.27 23 23 B 1 ZN ZN A 39 CYS CB 1.0 . 3.27 24 24 B 1 ZN ZN A 42 HIS CG 1.0 . 3.30 25 25 B 1 ZN ZN A 42 HIS CE1 1.0 . 3.05 26 26 3 1 ZN ZN A 31 CYS CB 1.0 . 3.25 27 27 3 1 ZN ZN A 34 CYS CB 1.0 . 3.25 28 28 3 1 ZN ZN A 50 CYS CB 1.0 . 3.25 29 29 3 1 ZN ZN A 48 HIS CD2 1.0 . 3.20 30 30 3 1 ZN ZN A 48 HIS CE1 1.0 . 3.10 31 31 A 18 CYS SG B 1 ZN ZN 1.0 . 2.36 32 32 B 1 ZN ZN A 21 CYS SG 1.0 . 2.36 33 33 B 1 ZN ZN A 39 CYS SG 1.0 . 2.36 34 34 B 1 ZN ZN A 42 HIS ND1 1.0 . 2.18 35 35 A 31 CYS SG 3 1 ZN ZN 1.0 . 2.35 36 36 3 1 ZN ZN A 34 CYS SG 1.0 . 2.35 37 37 3 1 ZN ZN A 50 CYS SG 1.0 . 2.35 38 38 3 1 ZN ZN A 48 HIS NE2 1.0 . 2.15 39 39 A 18 CYS SG A 21 CYS SG 1.0 . 3.98 40 40 A 18 CYS SG A 39 CYS SG 1.0 . 3.98 41 41 A 18 CYS SG A 42 HIS ND1 1.0 . 3.55 42 42 A 21 CYS SG A 39 CYS SG 1.0 . 3.98 43 43 A 21 CYS SG A 42 HIS ND1 1.0 . 3.55 44 44 A 39 CYS SG A 42 HIS ND1 1.0 . 3.55 45 45 A 31 CYS SG A 34 CYS SG 1.0 . 4.00 46 46 A 31 CYS SG A 50 CYS SG 1.0 . 4.00 47 47 A 31 CYS SG A 48 HIS NE2 1.0 . 3.50 48 48 A 34 CYS SG A 50 CYS SG 1.0 . 4.00 49 49 A 34 CYS SG A 48 HIS NE2 1.0 . 3.50 50 50 A 50 CYS SG A 48 HIS NE2 1.0 . 3.50 51 51 B 1 ZN ZN A 18 CYS CB 1.0 . 3.27 52 52 B 1 ZN ZN A 21 CYS CB 1.0 . 3.27 53 53 B 1 ZN ZN A 39 CYS CB 1.0 . 3.27 54 54 B 1 ZN ZN A 42 HIS CG 1.0 . 3.30 55 55 B 1 ZN ZN A 42 HIS CE1 1.0 . 3.06 56 56 3 1 ZN ZN A 31 CYS CB 1.0 . 3.25 57 57 3 1 ZN ZN A 34 CYS CB 1.0 . 3.25 58 58 3 1 ZN ZN A 50 CYS CB 1.0 . 3.25 59 59 3 1 ZN ZN A 48 HIS CD2 1.0 . 3.21 60 60 3 1 ZN ZN A 48 HIS CE1 1.0 . 3.10 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 56 HIS H A 57 GLU H 1.0 . 3.76 2 2 A 12 LEU H A 13 ASP H 1.0 . 4.07 3 3 A 14 VAL H A 15 GLY H 1.0 . 3.70 4 4 A 13 ASP H A 14 VAL H 1.0 . 3.70 5 5 A 15 GLY H A 16 LYS H 1.0 . 4.45 6 6 A 16 LYS H A 25 ASP H 1.0 . 3.95 7 7 A 13 ASP H A 12 LEU HA 1.0 . 3.14 8 8 A 14 VAL H A 14 VAL HB 1.0 . 3.61 9 9 A 15 GLY H A 14 VAL HB 1.0 . 4.38 10 10 A 16 LYS H A 15 GLY HAx 1.0 . 3.42 11 11 A 16 LYS H A 15 GLY HAy 1.0 . 3.42 12 12 A 16 LYS H A 16 LYS HBy 1.0 . 3.95 13 13 A 16 LYS H A 16 LYS HBx 1.0 . 3.95 14 14 A 15 GLY H A 14 VAL HA 1.0 . 3.24 15 15 A 14 VAL H A 13 ASP HBx 1.0 . 4.72 16 16 A 14 VAL H A 13 ASP HBy 1.0 . 4.72 17 17 A 14 VAL H A 13 ASP HA 1.0 . 3.14 18 18 A 13 ASP H A 12 LEU HBy 1.0 . 4.17 19 19 A 13 ASP H A 12 LEU HBx 1.0 . 4.17 20 20 A 12 LEU H A 12 LEU HBx 1.0 . 4.01 21 21 A 12 LEU H A 11 MET HBx 1.0 . 4.66 22 22 A 12 LEU H A 11 MET HBy 1.0 . 4.66 23 23 A 12 LEU H A 11 MET HA 1.0 . 3.24 24 24 A 12 LEU H A 12 LEU HBy 1.0 . 4.01 25 25 A 20 TYR H A 21 CYS H 1.0 . 3.36 26 26 A 21 CYS H A 22 ARG H 1.0 . 3.08 27 27 A 20 TYR H A 22 ARG H 1.0 . 4.69 28 28 A 17 HIS H A 17 HIS HBy 1.0 . 3.76 29 29 A 18 CYS H A 18 CYS HBx 1.0 . 3.52 30 30 A 20 TYR H A 20 TYR HBy 1.0 . 3.58 31 31 A 20 TYR H A 20 TYR HBx 1.0 . 3.58 32 32 A 18 CYS H A 18 CYS HBy 1.0 . 3.52 33 33 A 18 CYS H A 17 HIS HBy 1.0 . 4.88 34 34 A 18 CYS H A 17 HIS HBx 1.0 . 4.88 35 35 A 21 CYS H A 20 TYR HBx 1.0 . 3.98 36 36 A 21 CYS H A 20 TYR HBy 1.0 . 3.98 37 37 A 21 CYS H A 22 ARG HA 1.0 . 4.66 38 38 A 17 HIS H A 17 HIS HBx 1.0 . 3.76 39 39 A 17 HIS H A 16 LYS HA 1.0 . 3.27 40 40 A 18 CYS H A 17 HIS HA 1.0 . 3.08 41 41 A 19 ALA H A 38 PHE HA 1.0 . 4.17 42 42 A 20 TYR H A 38 PHE HA 1.0 . 5.07 43 43 A 22 ARG H A 23 GLN H 1.0 . 3.64 44 44 A 24 LEU H A 24 LEU HBy 1.0 . 3.27 45 45 A 22 ARG H A 22 ARG HA 1.0 . 2.77 46 46 A 23 GLN H A 23 GLN HBy 1.0 . 3.64 47 47 A 23 GLN H A 23 GLN HBx 1.0 . 3.64 48 48 A 24 LEU H A 24 LEU HBx 1.0 . 3.27 49 49 A 24 LEU H A 23 GLN HBx 1.0 . 4.51 50 50 A 24 LEU H A 23 GLN HBy 1.0 . 4.51 51 51 A 24 LEU H A 23 GLN HA 1.0 . 2.77 52 52 A 26 PHE H A 27 LEU H 1.0 . 3.61 53 53 A 25 ASP H A 25 ASP HBx 1.0 . 4.04 54 54 A 28 PRO HA A 29 PHE H 1.0 . 3.24 55 55 A 30 HIS H A 30 HIS HBx 1.0 . 4.07 56 56 A 30 HIS H A 30 HIS HBy 1.0 . 4.07 57 57 A 30 HIS H A 29 PHE HA 1.0 . 3.39 58 58 A 27 LEU H A 26 PHE HBx 1.0 . 5.04 59 59 A 27 LEU H A 26 PHE HBy 1.0 . 5.04 60 60 A 26 PHE H A 25 ASP HA 1.0 . 3.17 61 61 A 25 ASP H A 25 ASP HBy 1.0 . 4.04 62 62 A 26 PHE H A 25 ASP HBx 1.0 . 5.50 63 63 A 26 PHE H A 25 ASP HBy 1.0 . 5.50 64 64 A 25 ASP H A 24 LEU HA 1.0 . 3.11 65 65 A 31 CYS H A 36 GLU H 1.0 . 4.72 66 66 A 32 SER H A 33 PHE H 1.0 . 3.86 67 67 A 33 PHE H A 34 CYS H 1.0 . 3.45 68 68 A 36 GLU H A 35 ASN H 1.0 . 3.64 69 69 A 31 CYS H A 31 CYS HBx 1.0 . 3.92 70 70 A 32 SER H A 32 SER HBy 1.0 . 4.17 71 71 A 32 SER H A 32 SER HBx 1.0 . 4.17 72 72 A 32 SER H A 31 CYS HA 1.0 . 3.33 73 73 A 31 CYS H A 37 ASP HA 1.0 . 5.13 74 74 A 31 CYS H A 30 HIS HA 1.0 . 3.17 75 75 A 31 CYS H A 31 CYS HBy 1.0 . 3.92 76 76 A 33 PHE H A 33 PHE HBy 1.0 . 3.86 77 77 A 33 PHE H A 33 PHE HBx 1.0 . 3.86 78 78 A 33 PHE H A 32 SER HBx 1.0 . 4.85 79 79 A 33 PHE H A 32 SER HBy 1.0 . 4.85 80 80 A 35 ASN H A 35 ASN HA 1.0 . 2.93 81 81 A 33 PHE H A 31 CYS HA 1.0 . 5.25 82 82 A 29 PHE H A 38 PHE H 1.0 . 4.11 83 83 A 36 GLU HA A 37 ASP H 1.0 . 3.17 84 84 A 37 ASP HA A 38 PHE H 1.0 . 3.17 85 85 A 30 HIS HA A 38 PHE H 1.0 . 4.72 86 86 A 36 GLU H A 36 GLU HBy 1.0 . 4.17 87 87 A 40 SER H A 41 ASN H 1.0 . 3.79 88 88 A 41 ASN H A 43 ARG H 1.0 . 4.57 89 89 A 38 PHE HA A 39 CYS H 1.0 . 3.30 90 90 A 41 ASN H A 40 SER HBx 1.0 . 4.93 91 90 A 41 ASN H A 40 SER HBy 1.0 . 4.93 92 91 A 40 SER H A 39 CYS HBy 1.0 . 4.17 93 92 A 39 CYS H A 38 PHE HBy 1.0 . 4.04 94 93 A 39 CYS H A 39 CYS HBy 1.0 . 4.04 95 94 A 39 CYS H A 39 CYS HBx 1.0 . 4.04 96 95 A 39 CYS H A 38 PHE HBx 1.0 . 4.04 97 96 A 40 SER H A 39 CYS HBx 1.0 . 4.17 98 97 A 43 ARG H A 42 HIS H 1.0 . 3.11 99 98 A 43 ARG H A 44 LEU H 1.0 . 3.52 100 99 A 45 LYS H A 46 GLU H 1.0 . 3.95 101 100 A 52 TRP H A 53 LEU H 1.0 . 3.42 102 101 A 52 TRP H A 51 ARG H 1.0 . 3.73 103 102 A 42 HIS H A 42 HIS HBx 1.0 . 3.76 104 103 A 42 HIS H A 42 HIS HBy 1.0 . 3.76 105 104 A 42 HIS H A 41 ASN HB2 1.0 . 5.02 106 104 A 42 HIS H A 41 ASN HB3 1.0 . 5.02 107 105 A 43 ARG H A 41 ASN HA 1.0 . 5.28 108 106 A 43 ARG H A 43 ARG HBy 1.0 . 3.52 109 107 A 43 ARG H A 43 ARG HBx 1.0 . 3.52 110 108 A 45 LYS H A 45 LYS HBy 1.0 . 3.89 111 109 A 45 LYS H A 45 LYS HBx 1.0 . 3.89 112 110 A 49 HIS H A 50 CYS H 1.0 . 3.70 113 111 A 49 HIS H A 48 HIS H 1.0 . 3.14 114 112 A 48 HIS H A 47 ASP H 1.0 . 3.17 115 113 A 46 GLU H A 47 ASP H 1.0 . 3.67 116 114 A 47 ASP H A 47 ASP HBx 1.0 . 4.01 117 115 A 49 HIS H A 49 HIS HA 1.0 . 2.86 118 116 A 50 CYS H A 50 CYS HBy 1.0 . 3.08 119 117 A 51 ARG H A 50 CYS HA 1.0 . 3.08 120 118 A 47 ASP H A 47 ASP HBy 1.0 . 4.01 121 119 A 51 ARG H A 51 ARG HBy 1.0 . 3.73 122 120 A 51 ARG H A 51 ARG HBx 1.0 . 3.73 123 121 A 50 CYS H A 50 CYS HBx 1.0 . 3.08 124 122 A 50 CYS H A 49 HIS HA 1.0 . 3.45 125 123 A 49 HIS H A 46 GLU HA 1.0 . 4.23 126 124 A 50 CYS H A 49 HIS HB2 1.0 . 6.38 127 124 A 50 CYS H A 49 HIS HB3 1.0 . 6.38 128 125 A 36 GLU H A 36 GLU HBx 1.0 . 4.17 129 126 A 53 LEU H A 54 LEU H 1.0 . 3.30 130 127 A 52 TRP H A 52 TRP HBy 1.0 . 3.24 131 128 A 54 LEU H A 54 LEU HBy 1.0 . 3.52 132 129 A 54 LEU H A 54 LEU HBx 1.0 . 3.52 133 130 A 53 LEU H A 53 LEU HBy 1.0 . 3.30 134 131 A 53 LEU H A 53 LEU HBx 1.0 . 3.30 135 132 A 52 TRP H A 52 TRP HBx 1.0 . 3.24 136 133 A 52 TRP H A 51 ARG HBy 1.0 . 4.45 137 134 A 52 TRP H A 51 ARG HBx 1.0 . 4.45 138 135 A 54 LEU H A 55 GLU H 1.0 . 3.24 139 136 A 57 GLU H A 58 GLU H 1.0 . 4.20 140 137 A 56 HIS H A 55 GLU HA 1.0 . 3.52 141 138 A 58 GLU H A 57 GLU HA 1.0 . 2.99 142 139 A 57 GLU H A 56 HIS HA 1.0 . 3.24 143 140 A 58 GLU HA A 59 VAL H 1.0 . 3.11 144 141 A 56 HIS H A 53 LEU HA 1.0 . 4.45 145 142 A 55 GLU H A 52 TRP HA 1.0 . 4.38 146 143 A 55 GLU H A 53 LEU HA 1.0 . 5.00 147 144 A 55 GLU H A 55 GLU HBy 1.0 . 3.58 148 145 A 58 GLU H A 58 GLU HBy 1.0 . 3.95 149 146 A 58 GLU H A 58 GLU HBx 1.0 . 3.95 150 147 A 57 GLU H A 57 GLU HBy 1.0 . 3.79 151 148 A 57 GLU H A 57 GLU HBx 1.0 . 3.79 152 149 A 56 HIS H A 55 GLU HBy 1.0 . 4.32 153 150 A 56 HIS H A 55 GLU HBx 1.0 . 4.32 154 151 A 55 GLU H A 55 GLU HBx 1.0 . 3.58 155 152 A 40 SER H A 39 CYS HA 1.0 . 3.48 156 153 A 49 HIS H A 47 ASP HA 1.0 . 5.13 157 154 A 43 ARG H A 40 SER HA 1.0 . 4.66 158 155 A 53 LEU H A 50 CYS HBx 1.0 . 5.00 159 156 A 53 LEU H A 50 CYS HBy 1.0 . 5.00 160 157 A 48 HIS H A 46 GLU HA 1.0 . 4.76 161 158 A 42 HIS H A 44 LEU H 1.0 . 4.88 162 159 A 39 CYS H A 42 HIS H 1.0 . 5.50 163 160 A 40 SER H A 39 CYS H 1.0 . 5.50 164 161 A 41 ASN H A 42 HIS H 1.0 . 3.02 165 162 A 41 ASN H A 39 CYS HA 1.0 . 5.41 166 163 A 39 CYS H A 18 CYS HA 1.0 . 4.38 167 164 A 28 PRO HA A 38 PHE H 1.0 . 5.50 168 165 A 36 GLU H A 34 CYS HBy 1.0 . 5.50 169 166 A 36 GLU H A 34 CYS HBx 1.0 . 5.50 170 167 A 27 LEU H A 25 ASP HBy 1.0 . 5.50 171 168 A 27 LEU H A 25 ASP HBx 1.0 . 5.50 172 169 A 25 ASP H A 17 HIS HA 1.0 . 4.35 173 170 A 25 ASP H A 18 CYS H 1.0 . 4.35 174 171 A 18 CYS H A 24 LEU HA 1.0 . 4.32 175 172 A 15 GLY H A 26 PHE HA 1.0 . 5.07 176 173 A 21 CYS H A 19 ALA HA 1.0 . 5.07 177 174 A 22 ARG H A 18 CYS H 1.0 . 4.72 178 175 A 29 PHE H A 39 CYS HA 1.0 . 5.50 179 176 A 30 HIS H A 29 PHE HB2 1.0 . 6.19 180 176 A 30 HIS H A 29 PHE HB3 1.0 . 6.19 181 177 A 11 MET H1 A 11 MET HGy 1.0 . 4.07 182 178 A 11 MET H1 A 11 MET HGx 1.0 . 4.07 183 179 A 16 LYS H A 16 LYS HG2 1.0 . 4.86 184 179 A 16 LYS H A 16 LYS HG3 1.0 . 4.86 185 180 A 12 LEU H A 12 LEU HG 1.0 . 2.86 186 181 A 20 TYR H A 38 PHE HDy 1.0 . 3.79 187 182 A 20 TYR H A 38 PHE HEy 1.0 . 3.92 188 183 A 20 TYR H A 20 TYR HD% 1.0 . 7.63 189 184 A 21 CYS H A 20 TYR HD% 1.0 . 7.32 190 185 A 22 ARG H A 22 ARG HDy 1.0 . 5.89 191 185 A 22 ARG H A 22 ARG HDx 1.0 . 5.89 192 186 A 22 ARG H A 22 ARG HGx 1.0 . 4.20 193 187 A 23 GLN H A 23 GLN HGy 1.0 . 4.79 194 188 A 24 LEU H A 24 LEU HG 1.0 . 4.42 195 189 A 26 PHE H A 26 PHE HD% 1.0 . 7.01 196 190 A 29 PHE H A 29 PHE HD% 1.0 . 7.50 197 191 A 27 LEU H A 27 LEU HG 1.0 . 4.14 198 192 A 27 LEU H A 28 PRO HD2 1.0 . 5.36 199 192 A 27 LEU H A 28 PRO HD3 1.0 . 5.36 200 193 A 25 ASP H A 24 LEU HG 1.0 . 4.01 201 194 A 31 CYS H A 38 PHE HDx 1.0 . 5.04 202 195 A 33 PHE H A 33 PHE HD% 1.0 . 5.74 203 196 A 38 PHE H A 38 PHE HDx 1.0 . 3.73 204 197 A 36 GLU H A 36 GLU HGx 1.0 . 3.86 205 198 A 36 GLU H A 36 GLU HGy 1.0 . 3.86 206 199 A 43 ARG H A 43 ARG HDx 1.0 . 4.97 207 200 A 43 ARG H A 43 ARG HGy 1.0 . 3.70 208 201 A 43 ARG H A 43 ARG HGx 1.0 . 3.70 209 202 A 44 LEU H A 44 LEU HG 1.0 . 2.40 210 203 A 46 GLU H A 46 GLU HGy 1.0 . 3.95 211 204 A 46 GLU H A 46 GLU HGx 1.0 . 3.95 212 205 A 51 ARG H A 33 PHE HD% 1.0 . 6.88 213 206 A 50 CYS H A 33 PHE HD% 1.0 . 6.39 214 207 A 51 ARG H A 51 ARG HG2 1.0 . 4.71 215 207 A 51 ARG H A 51 ARG HG3 1.0 . 4.71 216 208 A 52 TRP H A 52 TRP HE3 1.0 . 4.94 217 209 A 33 PHE HD% A 52 TRP HE1 1.0 . 7.35 218 210 A 53 LEU H A 52 TRP HE3 1.0 . 3.83 219 211 A 54 LEU H A 54 LEU HG 1.0 . 2.83 220 212 A 53 LEU H A 53 LEU HG 1.0 . 3.36 221 213 A 57 GLU H A 57 GLU HGy 1.0 . 4.01 222 214 A 58 GLU H A 58 GLU HGx 1.0 . 4.42 223 215 A 58 GLU H A 58 GLU HGy 1.0 . 4.42 224 216 A 57 GLU H A 57 GLU HGx 1.0 . 4.01 225 217 A 55 GLU H A 55 GLU HGx 1.0 . 4.20 226 218 A 55 GLU H A 55 GLU HGy 1.0 . 4.20 227 219 A 38 PHE H A 29 PHE HB2 1.0 . 6.29 228 219 A 38 PHE H A 29 PHE HB3 1.0 . 6.29 229 220 A 40 SER H A 29 PHE HE% 1.0 . 7.63 230 221 A 40 SER H A 29 PHE HD% 1.0 . 7.63 231 222 A 39 CYS H A 18 CYS HBx 1.0 . 3.95 232 223 A 39 CYS H A 18 CYS HBy 1.0 . 3.95 233 224 A 22 ARG H A 22 ARG HGy 1.0 . 4.20 234 225 A 23 GLN H A 23 GLN HGx 1.0 . 4.79 235 226 A 43 ARG H A 43 ARG HDy 1.0 . 4.97 236 227 A 16 LYS H A 28 PRO HD2 1.0 . 5.89 237 227 A 16 LYS H A 28 PRO HD3 1.0 . 5.89 238 228 A 32 SER H A 33 PHE HD% 1.0 . 7.63 239 229 A 12 LEU H A 12 LEU HDx% 1.0 . 6.67 240 229 A 12 LEU H A 12 LEU HDy% 1.0 . 6.67 241 230 A 15 GLY H A 14 VAL HGx% 1.0 . 6.61 242 230 A 15 GLY H A 14 VAL HGy% 1.0 . 6.61 243 231 A 14 VAL H A 14 VAL HGx% 1.0 . 5.00 244 231 A 14 VAL H A 14 VAL HGy% 1.0 . 5.00 245 232 A 19 ALA H A 19 ALA HB% 1.0 . 3.85 246 233 A 20 TYR H A 19 ALA HB% 1.0 . 4.69 247 234 A 24 LEU H A 24 LEU HDx% 1.0 . 6.02 248 235 A 24 LEU H A 24 LEU HDy% 1.0 . 6.02 249 236 A 27 LEU H A 27 LEU HDx% 1.0 . 7.60 250 236 A 27 LEU H A 27 LEU HDy% 1.0 . 7.60 251 237 A 44 LEU H A 44 LEU HDx% 1.0 . 4.91 252 238 A 44 LEU H A 44 LEU HDy% 1.0 . 4.91 253 239 A 54 LEU H A 54 LEU HDx% 1.0 . 4.81 254 240 A 54 LEU H A 54 LEU HDy% 1.0 . 4.81 255 241 A 53 LEU H A 53 LEU HDy% 1.0 . 4.94 256 242 A 53 LEU H A 53 LEU HDx% 1.0 . 4.94 257 243 A 59 VAL H A 59 VAL HGx% 1.0 . 6.79 258 243 A 59 VAL H A 59 VAL HGy% 1.0 . 6.79 259 244 A 55 GLU H A 54 LEU HDx% 1.0 . 6.52 260 245 A 55 GLU H A 54 LEU HDy% 1.0 . 6.52 261 246 A 37 ASP H A 19 ALA HB% 1.0 . 4.81 262 247 A 13 ASP H A 14 VAL HGx% 1.0 . 7.60 263 247 A 13 ASP H A 14 VAL HGy% 1.0 . 7.60 264 248 A 13 ASP H A 12 LEU HDx% 1.0 . 6.82 265 248 A 13 ASP H A 12 LEU HDy% 1.0 . 6.82 266 249 A 38 PHE HA A 18 CYS HA 1.0 . 2.83 267 250 A 38 PHE HA A 39 CYS HA 1.0 . 4.51 268 251 A 37 ASP HA A 30 HIS HA 1.0 . 2.80 269 252 A 28 PRO HA A 39 CYS HA 1.0 . 3.58 270 253 A 34 CYS HA A 34 CYS HBy 1.0 . 2.83 271 254 A 34 CYS HA A 34 CYS HBx 1.0 . 2.83 272 255 A 27 LEU HA A 27 LEU HBy 1.0 . 2.80 273 256 A 27 LEU HA A 27 LEU HBx 1.0 . 2.80 274 257 A 16 LYS HA A 16 LYS HBy 1.0 . 2.65 275 258 A 26 PHE HA A 15 GLY HAy 1.0 . 3.24 276 259 A 17 HIS HA A 24 LEU HA 1.0 . 2.49 277 260 A 35 ASN HA A 35 ASN HBy 1.0 . 2.86 278 261 A 35 ASN HA A 35 ASN HBx 1.0 . 2.86 279 262 A 57 GLU HA A 57 GLU HBx 1.0 . 2.99 280 263 A 57 GLU HA A 57 GLU HBy 1.0 . 2.99 281 264 A 14 VAL HB A 14 VAL HA 1.0 . 2.77 282 265 A 51 ARG HA A 51 ARG HBy 1.0 . 2.71 283 266 A 51 ARG HA A 51 ARG HBx 1.0 . 2.71 284 267 A 55 GLU HA A 55 GLU HBy 1.0 . 2.71 285 268 A 48 HIS HA A 48 HIS HBy 1.0 . 3.02 286 269 A 40 SER HA A 43 ARG HBx 1.0 . 3.64 287 270 A 26 PHE HA A 15 GLY HAx 1.0 . 3.24 288 271 A 43 ARG HA A 43 ARG HBx 1.0 . 2.99 289 272 A 48 HIS HA A 48 HIS HBx 1.0 . 3.02 290 273 A 45 LYS HA A 45 LYS HBy 1.0 . 2.80 291 274 A 45 LYS HA A 45 LYS HBx 1.0 . 2.80 292 275 A 58 GLU HA A 58 GLU HBy 1.0 . 2.83 293 276 A 58 GLU HA A 58 GLU HBx 1.0 . 2.83 294 277 A 54 LEU HA A 54 LEU HBy 1.0 . 2.86 295 278 A 55 GLU HA A 55 GLU HBx 1.0 . 2.71 296 279 A 54 LEU HA A 54 LEU HBx 1.0 . 2.86 297 280 A 43 ARG HA A 43 ARG HBy 1.0 . 2.99 298 281 A 16 LYS HA A 16 LYS HBx 1.0 . 2.65 299 282 A 40 SER HA A 43 ARG HBy 1.0 . 3.64 300 283 A 32 SER HA A 32 SER HBy 1.0 . 2.99 301 284 A 32 SER HA A 32 SER HBx 1.0 . 2.99 302 285 A 42 HIS HE1 A 21 CYS HBy 1.0 . 3.89 303 286 A 42 HIS HE1 A 41 ASN HB2 1.0 . 6.35 304 286 A 41 ASN HB3 A 42 HIS HE1 1.0 . 6.35 305 287 A 35 ASN HA A 30 HIS HE1 1.0 . 3.58 306 288 A 29 PHE HE% A 43 ARG HA 1.0 . 7.63 307 289 A 38 PHE HDx A 48 HIS HE1 1.0 . 4.97 308 290 A 45 LYS HA A 48 HIS HE1 1.0 . 3.42 309 291 A 48 HIS HE1 A 45 LYS HGy 1.0 . 5.13 310 292 A 48 HIS HE1 A 45 LYS HGx 1.0 . 5.13 311 293 A 48 HIS HE1 A 45 LYS HBx 1.0 . 5.50 312 294 A 26 PHE HD% A 27 LEU HBy 1.0 . 7.63 313 295 A 26 PHE HD% A 27 LEU HBx 1.0 . 7.63 314 296 A 53 LEU HA A 52 TRP HE3 1.0 . 3.45 315 297 A 52 TRP HE3 A 52 TRP HBy 1.0 . 3.92 316 298 A 52 TRP HE3 A 45 LYS HEy 1.0 . 5.50 317 299 A 52 TRP HE3 A 45 LYS HEx 1.0 . 5.50 318 300 A 52 TRP HE3 A 53 LEU HG 1.0 . 3.48 319 301 A 52 TRP HE3 A 45 LYS HDy 1.0 . 4.91 320 302 A 24 LEU HA A 17 HIS HD2 1.0 . 5.31 321 303 A 33 PHE HE% A 45 LYS HEx 1.0 . 7.63 322 304 A 42 HIS HD2 A 47 ASP HBx 1.0 . 4.79 323 305 A 38 PHE HZ A 48 HIS HD2 1.0 . 3.79 324 306 A 38 PHE HZ A 36 GLU HBy 1.0 . 4.04 325 307 A 38 PHE HZ A 36 GLU HBx 1.0 . 4.04 326 308 A 32 SER HA A 30 HIS HD2 1.0 . 4.07 327 309 A 52 TRP HZ3 A 45 LYS HEy 1.0 . 4.85 328 310 A 52 TRP HZ3 A 45 LYS HEx 1.0 . 4.85 329 311 A 53 LEU HG A 52 TRP HZ3 1.0 . 5.34 330 312 A 56 HIS HD2 A 55 GLU HBx 1.0 . 5.50 331 313 A 48 HIS HE1 A 38 PHE HEx 1.0 . 4.97 332 314 A 38 PHE HEx A 31 CYS HBy 1.0 . 3.92 333 315 A 33 PHE HD% A 45 LYS HEy 1.0 . 7.63 334 316 A 20 TYR HD% A 42 HIS HE1 1.0 . 7.63 335 317 A 20 TYR HD% A 49 HIS HB2 1.0 . 8.51 336 317 A 49 HIS HB3 A 20 TYR HD% 1.0 . 8.51 337 318 A 20 TYR HD% A 21 CYS HBx 1.0 . 7.63 338 319 A 37 ASP HA A 38 PHE HDx 1.0 . 5.50 339 320 A 38 PHE HA A 38 PHE HDy 1.0 . 4.17 340 321 A 37 ASP HA A 28 PRO HBy 1.0 . 5.50 341 322 A 37 ASP HA A 28 PRO HBx 1.0 . 5.50 342 323 A 39 CYS HA A 29 PHE HD% 1.0 . 7.63 343 324 A 39 CYS HA A 26 PHE HD% 1.0 . 7.63 344 325 A 39 CYS HA A 25 ASP HBy 1.0 . 4.11 345 326 A 39 CYS HA A 25 ASP HBx 1.0 . 4.11 346 327 A 30 HIS HA A 37 ASP HBx 1.0 . 5.50 347 328 A 34 CYS HA A 51 ARG HD2 1.0 . 6.38 348 328 A 34 CYS HA A 51 ARG HD3 1.0 . 6.38 349 329 A 34 CYS HA A 51 ARG HG2 1.0 . 6.38 350 329 A 51 ARG HG3 A 34 CYS HA 1.0 . 6.38 351 330 A 42 HIS HD2 A 42 HIS HA 1.0 . 3.95 352 331 A 42 HIS HA A 47 ASP HBy 1.0 . 4.20 353 332 A 42 HIS HA A 47 ASP HBx 1.0 . 4.20 354 333 A 20 TYR HD% A 20 TYR HA 1.0 . 7.47 355 334 A 25 ASP HA A 26 PHE HD% 1.0 . 7.63 356 335 A 27 LEU HA A 28 PRO HD2 1.0 . 3.97 357 335 A 28 PRO HD3 A 27 LEU HA 1.0 . 3.97 358 336 A 27 LEU HA A 28 PRO HGy 1.0 . 4.38 359 337 A 27 LEU HA A 28 PRO HGx 1.0 . 4.38 360 338 A 36 GLU HA A 36 GLU HGy 1.0 . 3.89 361 339 A 36 GLU HA A 36 GLU HGx 1.0 . 3.89 362 340 A 29 PHE HA A 29 PHE HD% 1.0 . 6.20 363 341 A 47 ASP HA A 42 HIS HD2 1.0 . 5.50 364 342 A 56 HIS HA A 56 HIS HD2 1.0 . 5.50 365 343 A 28 PRO HA A 29 PHE HD% 1.0 . 7.63 366 344 A 26 PHE HA A 26 PHE HD% 1.0 . 6.08 367 345 A 28 PRO HA A 16 LYS HBy 1.0 . 4.54 368 346 A 28 PRO HA A 16 LYS HBx 1.0 . 4.54 369 347 A 17 HIS HA A 17 HIS HD2 1.0 . 4.35 370 348 A 52 TRP HA A 52 TRP HD1 1.0 . 4.42 371 349 A 52 TRP HA A 56 HIS HD2 1.0 . 5.50 372 350 A 52 TRP HA A 52 TRP HE3 1.0 . 4.17 373 351 A 35 ASN HA A 30 HIS HD2 1.0 . 5.50 374 352 A 51 ARG HA A 51 ARG HD2 1.0 . 6.29 375 352 A 51 ARG HA A 51 ARG HD3 1.0 . 6.29 376 353 A 54 LEU HG A 54 LEU HA 1.0 . 3.45 377 354 A 22 ARG HA A 17 HIS HD2 1.0 . 5.25 378 355 A 22 ARG HA A 22 ARG HDx 1.0 . 4.17 379 356 A 40 SER HBy A 29 PHE HD% 1.0 . 7.63 380 357 A 48 HIS HA A 49 HIS HD2 1.0 . 5.50 381 358 A 48 HIS HA A 20 TYR HE% 1.0 . 7.63 382 359 A 20 TYR HD% A 48 HIS HA 1.0 . 7.63 383 360 A 48 HIS HA A 42 HIS HD2 1.0 . 5.50 384 361 A 29 PHE HD% A 40 SER HBx 1.0 . 7.63 385 362 A 33 PHE HD% A 33 PHE HA 1.0 . 6.45 386 363 A 53 LEU HA A 52 TRP HZ3 1.0 . 5.28 387 364 A 40 SER HA A 29 PHE HE% 1.0 . 7.23 388 365 A 40 SER HA A 29 PHE HD% 1.0 . 7.16 389 366 A 49 HIS HA A 49 HIS HD2 1.0 . 5.50 390 367 A 43 ARG HA A 48 HIS HE1 1.0 . 5.50 391 368 A 29 PHE HD% A 43 ARG HA 1.0 . 6.95 392 369 A 43 ARG HA A 29 PHE HB2 1.0 . 5.30 393 369 A 29 PHE HB3 A 43 ARG HA 1.0 . 5.30 394 370 A 20 TYR HD% A 21 CYS HBy 1.0 . 7.63 395 371 A 38 PHE HDy A 20 TYR HBy 1.0 . 4.88 396 372 A 52 TRP HE3 A 52 TRP HBx 1.0 . 3.92 397 373 A 20 TYR HE% A 49 HIS HB2 1.0 . 8.51 398 373 A 49 HIS HB3 A 20 TYR HE% 1.0 . 8.51 399 374 A 38 PHE HEy A 48 HIS HBy 1.0 . 4.07 400 375 A 40 SER HA A 29 PHE HB2 1.0 . 6.38 401 375 A 40 SER HA A 29 PHE HB3 1.0 . 6.38 402 376 A 38 PHE HEx A 31 CYS HBx 1.0 . 3.92 403 377 A 38 PHE HDy A 20 TYR HBx 1.0 . 4.88 404 378 A 42 HIS HD2 A 47 ASP HBy 1.0 . 4.79 405 379 A 22 ARG HA A 17 HIS HBy 1.0 . 3.70 406 380 A 42 HIS HE1 A 21 CYS HBx 1.0 . 3.89 407 381 A 22 ARG HA A 17 HIS HBx 1.0 . 3.70 408 382 A 38 PHE HEy A 48 HIS HBx 1.0 . 4.07 409 383 A 45 LYS HA A 45 LYS HGy 1.0 . 3.79 410 384 A 33 PHE HE% A 45 LYS HEy 1.0 . 7.63 411 385 A 38 PHE HZ A 36 GLU HGy 1.0 . 5.50 412 386 A 38 PHE HZ A 36 GLU HGx 1.0 . 5.50 413 387 A 33 PHE HD% A 45 LYS HEx 1.0 . 7.63 414 388 A 44 LEU HG A 43 ARG HGy 1.0 . 3.24 415 389 A 22 ARG HA A 22 ARG HGx 1.0 . 3.86 416 390 A 45 LYS HA A 45 LYS HDy 1.0 . 5.50 417 391 A 52 TRP HZ3 A 45 LYS HDx 1.0 . 6.38 418 391 A 52 TRP HZ3 A 45 LYS HDy 1.0 . 6.38 419 392 A 45 LYS HA A 45 LYS HDx 1.0 . 5.50 420 393 A 33 PHE HD% A 45 LYS HDx 1.0 . 7.63 421 394 A 44 LEU HG A 43 ARG HGx 1.0 . 3.24 422 395 A 52 TRP HE3 A 45 LYS HDx 1.0 . 4.91 423 396 A 21 CYS HA A 22 ARG HGx 1.0 . 5.50 424 397 A 21 CYS HA A 22 ARG HGy 1.0 . 5.50 425 398 A 30 HIS HA A 37 ASP HBy 1.0 . 5.50 426 399 A 42 HIS HE1 A 21 CYS HA 1.0 . 5.50 427 400 A 29 PHE HE% A 43 ARG HDy 1.0 . 7.63 428 401 A 33 PHE HD% A 45 LYS HDy 1.0 . 7.63 429 402 A 48 HIS HE1 A 45 LYS HBy 1.0 . 5.50 430 403 A 56 HIS HD2 A 55 GLU HBy 1.0 . 5.50 431 404 A 29 PHE HE% A 43 ARG HDx 1.0 . 7.63 432 405 A 20 TYR HD% A 21 CYS HA 1.0 . 7.63 433 406 A 22 ARG HA A 22 ARG HGy 1.0 . 3.86 434 407 A 22 ARG HA A 22 ARG HDy 1.0 . 4.17 435 408 A 45 LYS HA A 45 LYS HGx 1.0 . 3.79 436 409 A 50 CYS HA A 48 HIS HD2 1.0 . 2.46 437 410 A 42 HIS HD2 A 41 ASN HB2 1.0 . 6.38 438 410 A 41 ASN HB3 A 42 HIS HD2 1.0 . 6.38 439 411 A 20 TYR HD% A 42 HIS HD2 1.0 . 7.63 440 412 A 38 PHE HEy A 19 ALA HB% 1.0 . 4.91 441 413 A 33 PHE HD% A 53 LEU HDx% 1.0 . 8.65 442 414 A 38 PHE HA A 19 ALA HB% 1.0 . 6.52 443 415 A 36 GLU HA A 19 ALA HB% 1.0 . 6.52 444 416 A 26 PHE HA A 14 VAL HGx% 1.0 . 7.20 445 416 A 26 PHE HA A 14 VAL HGy% 1.0 . 7.20 446 417 A 12 LEU HA A 12 LEU HDx% 1.0 . 5.21 447 417 A 12 LEU HA A 12 LEU HDy% 1.0 . 5.21 448 418 A 54 LEU HA A 54 LEU HDx% 1.0 . 4.38 449 419 A 54 LEU HA A 54 LEU HDy% 1.0 . 4.38 450 420 A 53 LEU HA A 53 LEU HDy% 1.0 . 4.75 451 421 A 53 LEU HA A 53 LEU HDx% 1.0 . 4.75 452 422 A 44 LEU HBy A 44 LEU HDy% 1.0 . 3.76 453 423 A 44 LEU HBy A 44 LEU HDx% 1.0 . 3.76 454 424 A 44 LEU HBx A 44 LEU HDy% 1.0 . 3.76 455 425 A 19 ALA HB% A 38 PHE HZ 1.0 . 5.25 456 426 A 19 ALA HB% A 38 PHE HEx 1.0 . 6.12 457 427 A 26 PHE HD% A 14 VAL HGx% 1.0 . 9.73 458 427 A 26 PHE HD% A 14 VAL HGy% 1.0 . 9.73 459 428 A 17 HIS HA A 24 LEU HDx% 1.0 . 6.12 460 429 A 24 LEU HA A 24 LEU HDx% 1.0 . 5.43 461 430 A 17 HIS HA A 24 LEU HDy% 1.0 . 6.12 462 431 A 24 LEU HA A 24 LEU HDy% 1.0 . 5.43 463 432 A 38 PHE HDy A 19 ALA HB% 1.0 . 6.52 464 433 A 33 PHE HD% A 53 LEU HDy% 1.0 . 8.65 465 434 A 44 LEU HDx% A 44 LEU HBx 1.0 . 3.76 466 435 A 18 CYS SG A 21 CYS SG 1.0 . 3.98 467 436 A 18 CYS SG A 39 CYS SG 1.0 . 3.98 468 437 A 18 CYS SG A 42 HIS ND1 1.0 . 3.55 469 438 A 21 CYS SG A 39 CYS SG 1.0 . 3.98 470 439 A 21 CYS SG A 42 HIS ND1 1.0 . 3.55 471 440 A 39 CYS SG A 42 HIS ND1 1.0 . 3.55 472 441 A 31 CYS SG A 34 CYS SG 1.0 . 4.00 473 442 A 31 CYS SG A 50 CYS SG 1.0 . 4.00 474 443 A 31 CYS SG A 48 HIS NE2 1.0 . 3.50 475 444 A 34 CYS SG A 50 CYS SG 1.0 . 4.00 476 445 A 34 CYS SG A 48 HIS NE2 1.0 . 3.50 477 446 A 50 CYS SG A 48 HIS NE2 1.0 . 3.50 478 447 A 11 MET H1 A 11 MET HBx 1.0 . 3.35 479 447 A 11 MET H1 A 11 MET HBy 1.0 . 3.35 480 448 A 11 MET H1 A 11 MET HGy 1.0 . 3.43 481 448 A 11 MET H1 A 11 MET HGx 1.0 . 3.43 482 449 A 11 MET HA A 11 MET HBx 1.0 . 2.63 483 449 A 11 MET HA A 11 MET HBy 1.0 . 2.63 484 450 A 11 MET HA A 11 MET HGy 1.0 . 3.74 485 450 A 11 MET HA A 11 MET HGx 1.0 . 3.74 486 451 A 12 LEU H A 11 MET HBx 1.0 . 4.07 487 451 A 12 LEU H A 11 MET HBy 1.0 . 4.07 488 452 A 12 LEU H A 12 LEU HBx 1.0 . 3.26 489 452 A 12 LEU H A 12 LEU HBy 1.0 . 3.26 490 453 A 12 LEU HA A 12 LEU HBx 1.0 . 2.54 491 453 A 12 LEU HA A 12 LEU HBy 1.0 . 2.54 492 454 A 13 ASP H A 12 LEU HBx 1.0 . 3.56 493 454 A 13 ASP H A 12 LEU HBy 1.0 . 3.56 494 455 A 14 VAL H A 13 ASP HBx 1.0 . 3.93 495 455 A 14 VAL H A 13 ASP HBy 1.0 . 3.93 496 456 A 16 LYS H A 15 GLY HAy 1.0 . 2.97 497 456 A 16 LYS H A 15 GLY HAx 1.0 . 2.97 498 457 A 15 GLY HAy A 24 LEU HDy% 1.0 . 5.41 499 457 A 15 GLY HAx A 24 LEU HDy% 1.0 . 5.41 500 457 A 24 LEU HDx% A 15 GLY HAy 1.0 . 5.41 501 457 A 15 GLY HAx A 24 LEU HDx% 1.0 . 5.41 502 458 A 26 PHE HA A 15 GLY HAy 1.0 . 2.71 503 458 A 26 PHE HA A 15 GLY HAx 1.0 . 2.71 504 459 A 26 PHE HD% A 15 GLY HAy 1.0 . 6.72 505 459 A 26 PHE HD% A 15 GLY HAx 1.0 . 6.72 506 460 A 16 LYS H A 16 LYS HDy 1.0 . 4.94 507 460 A 16 LYS H A 16 LYS HDx 1.0 . 4.94 508 461 A 16 LYS H A 24 LEU HDy% 1.0 . 5.58 509 461 A 16 LYS H A 24 LEU HDx% 1.0 . 5.58 510 462 A 16 LYS HA A 16 LYS HDy 1.0 . 4.29 511 462 A 16 LYS HA A 16 LYS HDx 1.0 . 4.29 512 463 A 16 LYS HA A 24 LEU HDy% 1.0 . 6.42 513 463 A 16 LYS HA A 24 LEU HDx% 1.0 . 6.42 514 464 A 28 PRO HA A 16 LYS HBx 1.0 . 3.94 515 464 A 28 PRO HA A 16 LYS HBy 1.0 . 3.94 516 465 A 16 LYS HBx A 28 PRO HD2 1.0 . 6.17 517 465 A 16 LYS HBy A 28 PRO HD2 1.0 . 6.17 518 465 A 28 PRO HD3 A 16 LYS HBx 1.0 . 6.17 519 465 A 28 PRO HD3 A 16 LYS HBy 1.0 . 6.17 520 466 A 17 HIS H A 17 HIS HBx 1.0 . 3.26 521 466 A 17 HIS H A 17 HIS HBy 1.0 . 3.26 522 467 A 17 HIS HA A 24 LEU HBx 1.0 . 4.61 523 467 A 17 HIS HA A 24 LEU HBy 1.0 . 4.61 524 468 A 17 HIS HA A 24 LEU HDy% 1.0 . 5.18 525 468 A 17 HIS HA A 24 LEU HDx% 1.0 . 5.18 526 469 A 17 HIS HD2 A 17 HIS HBx 1.0 . 3.44 527 469 A 17 HIS HD2 A 17 HIS HBy 1.0 . 3.44 528 470 A 18 CYS H A 17 HIS HBx 1.0 . 4.11 529 470 A 18 CYS H A 17 HIS HBy 1.0 . 4.11 530 471 A 22 ARG HA A 17 HIS HBx 1.0 . 3.10 531 471 A 22 ARG HA A 17 HIS HBy 1.0 . 3.10 532 472 A 23 GLN H A 17 HIS HBx 1.0 . 4.76 533 472 A 23 GLN H A 17 HIS HBy 1.0 . 4.76 534 473 A 17 HIS HD2 A 24 LEU HDy% 1.0 . 6.42 535 473 A 17 HIS HD2 A 24 LEU HDx% 1.0 . 6.42 536 474 A 18 CYS H A 39 CYS HBx 1.0 . 4.44 537 474 A 18 CYS H A 39 CYS HBy 1.0 . 4.44 538 475 A 18 CYS HA A 38 PHE HBx 1.0 . 5.34 539 475 A 18 CYS HA A 38 PHE HBy 1.0 . 5.34 540 476 A 21 CYS H A 18 CYS HBx 1.0 . 3.85 541 476 A 21 CYS H A 18 CYS HBy 1.0 . 3.85 542 477 A 22 ARG H A 18 CYS HBx 1.0 . 3.30 543 477 A 22 ARG H A 18 CYS HBy 1.0 . 3.30 544 478 A 23 GLN H A 18 CYS HBx 1.0 . 2.93 545 478 A 23 GLN H A 18 CYS HBy 1.0 . 2.93 546 479 A 39 CYS H A 18 CYS HBx 1.0 . 3.10 547 479 A 39 CYS H A 18 CYS HBy 1.0 . 3.10 548 480 A 39 CYS HA A 18 CYS HBx 1.0 . 5.34 549 480 A 39 CYS HA A 18 CYS HBy 1.0 . 5.34 550 481 A 18 CYS HBy A 39 CYS HBx 1.0 . 3.04 551 481 A 18 CYS HBx A 39 CYS HBx 1.0 . 3.04 552 481 A 39 CYS HBy A 18 CYS HBx 1.0 . 3.04 553 481 A 39 CYS HBy A 18 CYS HBy 1.0 . 3.04 554 482 A 19 ALA HB% A 36 GLU HBx 1.0 . 5.17 555 482 A 19 ALA HB% A 36 GLU HBy 1.0 . 5.17 556 483 A 19 ALA HB% A 36 GLU HGx 1.0 . 5.48 557 483 A 19 ALA HB% A 36 GLU HGy 1.0 . 5.48 558 484 A 19 ALA HB% A 37 ASP HBx 1.0 . 6.17 559 484 A 19 ALA HB% A 37 ASP HBy 1.0 . 6.17 560 485 A 20 TYR H A 20 TYR HBx 1.0 . 3.11 561 485 A 20 TYR H A 20 TYR HBy 1.0 . 3.11 562 486 A 21 CYS H A 20 TYR HBx 1.0 . 3.32 563 486 A 21 CYS H A 20 TYR HBy 1.0 . 3.32 564 487 A 38 PHE HEy A 20 TYR HBx 1.0 . 3.91 565 487 A 38 PHE HEy A 20 TYR HBy 1.0 . 3.91 566 488 A 20 TYR HD% A 48 HIS HBx 1.0 . 7.32 567 488 A 20 TYR HD% A 48 HIS HBy 1.0 . 7.32 568 489 A 42 HIS HE1 A 21 CYS HBx 1.0 . 3.21 569 489 A 42 HIS HE1 A 21 CYS HBy 1.0 . 3.21 570 490 A 22 ARG H A 22 ARG HGy 1.0 . 3.65 571 490 A 22 ARG H A 22 ARG HGx 1.0 . 3.65 572 491 A 22 ARG HA A 22 ARG HGy 1.0 . 3.24 573 491 A 22 ARG HA A 22 ARG HGx 1.0 . 3.24 574 492 A 22 ARG HA A 22 ARG HDy 1.0 . 3.44 575 492 A 22 ARG HA A 22 ARG HDx 1.0 . 3.44 576 493 A 23 GLN H A 23 GLN HBy 1.0 . 3.08 577 493 A 23 GLN H A 23 GLN HBx 1.0 . 3.08 578 494 A 23 GLN HA A 23 GLN HBy 1.0 . 2.63 579 494 A 23 GLN HA A 23 GLN HBx 1.0 . 2.63 580 495 A 24 LEU H A 23 GLN HBy 1.0 . 3.77 581 495 A 24 LEU H A 23 GLN HBx 1.0 . 3.77 582 496 A 24 LEU H A 23 GLN HGy 1.0 . 3.94 583 496 A 24 LEU H A 23 GLN HGx 1.0 . 3.94 584 497 A 24 LEU HA A 24 LEU HDy% 1.0 . 4.25 585 497 A 24 LEU HA A 24 LEU HDx% 1.0 . 4.25 586 498 A 25 ASP H A 24 LEU HDy% 1.0 . 4.57 587 498 A 25 ASP H A 24 LEU HDx% 1.0 . 4.57 588 499 A 26 PHE HE% A 24 LEU HDy% 1.0 . 8.44 589 499 A 24 LEU HDx% A 26 PHE HE% 1.0 . 8.44 590 500 A 26 PHE HZ A 24 LEU HDy% 1.0 . 5.74 591 500 A 24 LEU HDx% A 26 PHE HZ 1.0 . 5.74 592 501 A 25 ASP H A 25 ASP HBx 1.0 . 3.53 593 501 A 25 ASP H A 25 ASP HBy 1.0 . 3.53 594 502 A 39 CYS HA A 25 ASP HBx 1.0 . 3.54 595 502 A 39 CYS HA A 25 ASP HBy 1.0 . 3.54 596 503 A 26 PHE H A 26 PHE HBx 1.0 . 3.39 597 503 A 26 PHE H A 26 PHE HBy 1.0 . 3.39 598 504 A 27 LEU HA A 27 LEU HDx% 1.0 . 3.83 599 504 A 27 LEU HDy% A 27 LEU HA 1.0 . 3.83 600 505 A 27 LEU HA A 28 PRO HGx 1.0 . 3.85 601 505 A 27 LEU HA A 28 PRO HGy 1.0 . 3.85 602 506 A 27 LEU HBy A 28 PRO HD2 1.0 . 6.17 603 506 A 27 LEU HBx A 28 PRO HD2 1.0 . 6.17 604 506 A 28 PRO HD3 A 27 LEU HBx 1.0 . 6.17 605 506 A 28 PRO HD3 A 27 LEU HBy 1.0 . 6.17 606 507 A 28 PRO HA A 27 LEU HDx% 1.0 . 5.07 607 507 A 28 PRO HA A 27 LEU HDy% 1.0 . 5.07 608 508 A 27 LEU HDy% A 28 PRO HD2 1.0 . 6.65 609 508 A 28 PRO HD3 A 27 LEU HDx% 1.0 . 6.65 610 508 A 28 PRO HD3 A 27 LEU HDy% 1.0 . 6.65 611 508 A 27 LEU HDx% A 28 PRO HD2 1.0 . 6.65 612 509 A 29 PHE HB2 A 43 ARG HBx 1.0 . 5.30 613 509 A 43 ARG HBy A 29 PHE HB2 1.0 . 5.30 614 509 A 29 PHE HB3 A 43 ARG HBy 1.0 . 5.30 615 509 A 29 PHE HB3 A 43 ARG HBx 1.0 . 5.30 616 510 A 29 PHE HB3 A 43 ARG HGy 1.0 . 6.16 617 510 A 43 ARG HGx A 29 PHE HB2 1.0 . 6.16 618 510 A 29 PHE HB3 A 43 ARG HGx 1.0 . 6.16 619 510 A 29 PHE HB2 A 43 ARG HGy 1.0 . 6.16 620 511 A 29 PHE HD% A 43 ARG HBx 1.0 . 6.66 621 511 A 29 PHE HD% A 43 ARG HBy 1.0 . 6.66 622 512 A 29 PHE HD% A 43 ARG HGy 1.0 . 7.32 623 512 A 29 PHE HD% A 43 ARG HGx 1.0 . 7.32 624 513 A 29 PHE HE% A 40 SER HBx 1.0 . 6.36 625 513 A 40 SER HBy A 29 PHE HE% 1.0 . 6.36 626 514 A 29 PHE HE% A 43 ARG HBx 1.0 . 7.31 627 514 A 29 PHE HE% A 43 ARG HBy 1.0 . 7.31 628 515 A 30 HIS H A 30 HIS HBx 1.0 . 3.54 629 515 A 30 HIS H A 30 HIS HBy 1.0 . 3.54 630 516 A 30 HIS HA A 37 ASP HBx 1.0 . 4.78 631 516 A 30 HIS HA A 37 ASP HBy 1.0 . 4.78 632 517 A 30 HIS HD2 A 31 CYS HBx 1.0 . 5.34 633 517 A 30 HIS HD2 A 31 CYS HBy 1.0 . 5.34 634 518 A 30 HIS HE1 A 35 ASN HBx 1.0 . 4.60 635 518 A 30 HIS HE1 A 35 ASN HBy 1.0 . 4.60 636 519 A 36 GLU H A 31 CYS HBx 1.0 . 3.71 637 519 A 36 GLU H A 31 CYS HBy 1.0 . 3.71 638 520 A 38 PHE HEx A 31 CYS HBx 1.0 . 3.43 639 520 A 38 PHE HEx A 31 CYS HBy 1.0 . 3.43 640 521 A 38 PHE HDx A 31 CYS HBx 1.0 . 3.97 641 521 A 38 PHE HDx A 31 CYS HBy 1.0 . 3.97 642 522 A 48 HIS HE1 A 31 CYS HBx 1.0 . 3.31 643 522 A 48 HIS HE1 A 31 CYS HBy 1.0 . 3.31 644 523 A 32 SER H A 32 SER HBx 1.0 . 3.61 645 523 A 32 SER H A 32 SER HBy 1.0 . 3.61 646 524 A 33 PHE H A 32 SER HBx 1.0 . 4.18 647 524 A 33 PHE H A 32 SER HBy 1.0 . 4.18 648 525 A 33 PHE H A 33 PHE HBx 1.0 . 3.22 649 525 A 33 PHE H A 33 PHE HBy 1.0 . 3.22 650 526 A 34 CYS H A 33 PHE HBx 1.0 . 3.52 651 526 A 34 CYS H A 33 PHE HBy 1.0 . 3.52 652 527 A 33 PHE HBx A 52 TRP HBy 1.0 . 3.38 653 527 A 52 TRP HBx A 33 PHE HBx 1.0 . 3.38 654 527 A 33 PHE HBy A 52 TRP HBx 1.0 . 3.38 655 527 A 33 PHE HBy A 52 TRP HBy 1.0 . 3.38 656 528 A 52 TRP HD1 A 33 PHE HBx 1.0 . 5.34 657 528 A 52 TRP HD1 A 33 PHE HBy 1.0 . 5.34 658 529 A 34 CYS H A 34 CYS HBx 1.0 . 3.67 659 529 A 34 CYS H A 34 CYS HBy 1.0 . 3.67 660 530 A 51 ARG H A 34 CYS HBx 1.0 . 3.89 661 530 A 51 ARG H A 34 CYS HBy 1.0 . 3.89 662 531 A 34 CYS HBx A 51 ARG HBx 1.0 . 4.44 663 531 A 34 CYS HBy A 51 ARG HBx 1.0 . 4.44 664 531 A 51 ARG HBy A 34 CYS HBx 1.0 . 4.44 665 531 A 34 CYS HBy A 51 ARG HBy 1.0 . 4.44 666 532 A 35 ASN H A 35 ASN HBx 1.0 . 3.70 667 532 A 35 ASN H A 35 ASN HBy 1.0 . 3.70 668 533 A 36 GLU H A 36 GLU HBx 1.0 . 3.54 669 533 A 36 GLU H A 36 GLU HBy 1.0 . 3.54 670 534 A 36 GLU HA A 36 GLU HBx 1.0 . 2.63 671 534 A 36 GLU HA A 36 GLU HBy 1.0 . 2.63 672 535 A 36 GLU HA A 36 GLU HGx 1.0 . 3.17 673 535 A 36 GLU HA A 36 GLU HGy 1.0 . 3.17 674 536 A 37 ASP H A 36 GLU HBx 1.0 . 3.17 675 536 A 37 ASP H A 36 GLU HBy 1.0 . 3.17 676 537 A 38 PHE HZ A 36 GLU HBx 1.0 . 3.31 677 537 A 38 PHE HZ A 36 GLU HBy 1.0 . 3.31 678 538 A 38 PHE HEx A 36 GLU HBx 1.0 . 3.97 679 538 A 38 PHE HEx A 36 GLU HBy 1.0 . 3.97 680 539 A 38 PHE HZ A 36 GLU HGx 1.0 . 4.70 681 539 A 38 PHE HZ A 36 GLU HGy 1.0 . 4.70 682 540 A 37 ASP H A 37 ASP HBx 1.0 . 3.14 683 540 A 37 ASP H A 37 ASP HBy 1.0 . 3.14 684 541 A 37 ASP HA A 37 ASP HBx 1.0 . 2.61 685 541 A 37 ASP HA A 37 ASP HBy 1.0 . 2.61 686 542 A 38 PHE H A 37 ASP HBx 1.0 . 3.94 687 542 A 38 PHE H A 37 ASP HBy 1.0 . 3.94 688 543 A 39 CYS H A 38 PHE HBx 1.0 . 3.33 689 543 A 39 CYS H A 38 PHE HBy 1.0 . 3.33 690 544 A 43 ARG HA A 38 PHE HBx 1.0 . 3.59 691 544 A 43 ARG HA A 38 PHE HBy 1.0 . 3.59 692 545 A 38 PHE HEy A 48 HIS HBx 1.0 . 3.42 693 545 A 38 PHE HEy A 48 HIS HBy 1.0 . 3.42 694 546 A 39 CYS H A 39 CYS HBx 1.0 . 3.35 695 546 A 39 CYS H A 39 CYS HBy 1.0 . 3.35 696 547 A 39 CYS H A 42 HIS HBx 1.0 . 3.88 697 547 A 39 CYS H A 42 HIS HBy 1.0 . 3.88 698 548 A 40 SER H A 39 CYS HBx 1.0 . 3.29 699 548 A 40 SER H A 39 CYS HBy 1.0 . 3.29 700 549 A 41 ASN H A 39 CYS HBx 1.0 . 3.96 701 549 A 41 ASN H A 39 CYS HBy 1.0 . 3.96 702 550 A 40 SER HA A 43 ARG HBx 1.0 . 3.13 703 550 A 40 SER HA A 43 ARG HBy 1.0 . 3.13 704 551 A 40 SER HA A 43 ARG HGy 1.0 . 4.91 705 551 A 40 SER HA A 43 ARG HGx 1.0 . 4.91 706 552 A 40 SER HA A 43 ARG HDy 1.0 . 4.02 707 552 A 40 SER HA A 43 ARG HDx 1.0 . 4.02 708 553 A 41 ASN H A 41 ASN HD2y 1.0 . 3.83 709 553 A 41 ASN H A 41 ASN HD2x 1.0 . 3.83 710 554 A 42 HIS H A 42 HIS HBx 1.0 . 3.21 711 554 A 42 HIS H A 42 HIS HBy 1.0 . 3.21 712 555 A 42 HIS HA A 47 ASP HBx 1.0 . 3.55 713 555 A 42 HIS HA A 47 ASP HBy 1.0 . 3.55 714 556 A 48 HIS HA A 42 HIS HBx 1.0 . 4.49 715 556 A 48 HIS HA A 42 HIS HBy 1.0 . 4.49 716 557 A 42 HIS HBy A 48 HIS HBx 1.0 . 3.38 717 557 A 42 HIS HBx A 48 HIS HBx 1.0 . 3.38 718 557 A 48 HIS HBy A 42 HIS HBx 1.0 . 3.38 719 557 A 48 HIS HBy A 42 HIS HBy 1.0 . 3.38 720 558 A 42 HIS HD2 A 47 ASP HBx 1.0 . 3.95 721 558 A 42 HIS HD2 A 47 ASP HBy 1.0 . 3.95 722 559 A 43 ARG H A 43 ARG HBx 1.0 . 3.06 723 559 A 43 ARG H A 43 ARG HBy 1.0 . 3.06 724 560 A 43 ARG H A 43 ARG HGy 1.0 . 3.00 725 560 A 43 ARG H A 43 ARG HGx 1.0 . 3.00 726 561 A 44 LEU HA A 43 ARG HGy 1.0 . 4.29 727 561 A 43 ARG HGx A 44 LEU HA 1.0 . 4.29 728 562 A 44 LEU H A 44 LEU HBx 1.0 . 3.06 729 562 A 44 LEU H A 44 LEU HBy 1.0 . 3.06 730 563 A 44 LEU H A 44 LEU HDy% 1.0 . 4.05 731 563 A 44 LEU H A 44 LEU HDx% 1.0 . 4.05 732 564 A 44 LEU HA A 44 LEU HBx 1.0 . 2.49 733 564 A 44 LEU HA A 44 LEU HBy 1.0 . 2.49 734 565 A 44 LEU HA A 44 LEU HDy% 1.0 . 3.71 735 565 A 44 LEU HA A 44 LEU HDx% 1.0 . 3.71 736 566 A 45 LYS H A 44 LEU HBx 1.0 . 3.56 737 566 A 45 LYS H A 44 LEU HBy 1.0 . 3.56 738 567 A 44 LEU HBx A 47 ASP HBx 1.0 . 3.16 739 567 A 44 LEU HBy A 47 ASP HBx 1.0 . 3.16 740 567 A 47 ASP HBy A 44 LEU HBx 1.0 . 3.16 741 567 A 47 ASP HBy A 44 LEU HBy 1.0 . 3.16 742 568 A 45 LYS H A 44 LEU HDy% 1.0 . 4.71 743 568 A 45 LYS H A 44 LEU HDx% 1.0 . 4.71 744 569 A 45 LYS H A 45 LYS HBx 1.0 . 3.19 745 569 A 45 LYS H A 45 LYS HBy 1.0 . 3.19 746 570 A 45 LYS H A 45 LYS HGy 1.0 . 3.38 747 570 A 45 LYS H A 45 LYS HGx 1.0 . 3.38 748 571 A 45 LYS HA A 45 LYS HBx 1.0 . 2.44 749 571 A 45 LYS HA A 45 LYS HBy 1.0 . 2.44 750 572 A 45 LYS HA A 45 LYS HGy 1.0 . 2.97 751 572 A 45 LYS HA A 45 LYS HGx 1.0 . 2.97 752 573 A 45 LYS HA A 45 LYS HDx 1.0 . 4.79 753 573 A 45 LYS HA A 45 LYS HDy 1.0 . 4.79 754 574 A 45 LYS HBx A 45 LYS HDx 1.0 . 2.52 755 574 A 45 LYS HDy A 45 LYS HBx 1.0 . 2.52 756 574 A 45 LYS HDy A 45 LYS HBy 1.0 . 2.52 757 574 A 45 LYS HBy A 45 LYS HDx 1.0 . 2.52 758 575 A 45 LYS HBx A 45 LYS HEy 1.0 . 3.56 759 575 A 45 LYS HBy A 45 LYS HEy 1.0 . 3.56 760 575 A 45 LYS HEx A 45 LYS HBx 1.0 . 3.56 761 575 A 45 LYS HBy A 45 LYS HEx 1.0 . 3.56 762 576 A 46 GLU H A 45 LYS HBx 1.0 . 3.47 763 576 A 46 GLU H A 45 LYS HBy 1.0 . 3.47 764 577 A 45 LYS HBx A 50 CYS HBx 1.0 . 3.38 765 577 A 45 LYS HBy A 50 CYS HBx 1.0 . 3.38 766 577 A 50 CYS HBy A 45 LYS HBx 1.0 . 3.38 767 577 A 45 LYS HBy A 50 CYS HBy 1.0 . 3.38 768 578 A 45 LYS HBy A 53 LEU HDy% 1.0 . 4.20 769 578 A 45 LYS HBx A 53 LEU HDy% 1.0 . 4.20 770 578 A 53 LEU HDx% A 45 LYS HBx 1.0 . 4.20 771 578 A 45 LYS HBy A 53 LEU HDx% 1.0 . 4.20 772 579 A 48 HIS HE1 A 45 LYS HGy 1.0 . 4.27 773 579 A 48 HIS HE1 A 45 LYS HGx 1.0 . 4.27 774 580 A 52 TRP HZ3 A 45 LYS HEy 1.0 . 4.12 775 580 A 52 TRP HZ3 A 45 LYS HEx 1.0 . 4.12 776 581 A 45 LYS HEx A 53 LEU HDy% 1.0 . 4.74 777 581 A 45 LYS HEy A 53 LEU HDy% 1.0 . 4.74 778 581 A 53 LEU HDx% A 45 LYS HEy 1.0 . 4.74 779 581 A 45 LYS HEx A 53 LEU HDx% 1.0 . 4.74 780 582 A 46 GLU H A 46 GLU HGx 1.0 . 3.38 781 582 A 46 GLU H A 46 GLU HGy 1.0 . 3.38 782 583 A 46 GLU HA A 46 GLU HGx 1.0 . 3.50 783 583 A 46 GLU HA A 46 GLU HGy 1.0 . 3.50 784 584 A 46 GLU HA A 53 LEU HDy% 1.0 . 4.41 785 584 A 46 GLU HA A 53 LEU HDx% 1.0 . 4.41 786 585 A 46 GLU HGx A 53 LEU HDy% 1.0 . 4.92 787 585 A 46 GLU HGy A 53 LEU HDy% 1.0 . 4.92 788 585 A 53 LEU HDx% A 46 GLU HGx 1.0 . 4.92 789 585 A 53 LEU HDx% A 46 GLU HGy 1.0 . 4.92 790 586 A 47 ASP H A 47 ASP HBx 1.0 . 3.15 791 586 A 47 ASP H A 47 ASP HBy 1.0 . 3.15 792 587 A 48 HIS H A 47 ASP HBx 1.0 . 4.00 793 587 A 48 HIS H A 47 ASP HBy 1.0 . 4.00 794 588 A 48 HIS H A 48 HIS HBx 1.0 . 3.53 795 588 A 48 HIS H A 48 HIS HBy 1.0 . 3.53 796 589 A 48 HIS HD2 A 48 HIS HBx 1.0 . 3.37 797 589 A 48 HIS HD2 A 48 HIS HBy 1.0 . 3.37 798 590 A 48 HIS HD2 A 50 CYS HBx 1.0 . 4.00 799 590 A 48 HIS HD2 A 50 CYS HBy 1.0 . 4.00 800 591 A 49 HIS H A 53 LEU HDy% 1.0 . 5.83 801 591 A 49 HIS H A 53 LEU HDx% 1.0 . 5.83 802 592 A 49 HIS HA A 53 LEU HDy% 1.0 . 4.90 803 592 A 49 HIS HA A 53 LEU HDx% 1.0 . 4.90 804 593 A 50 CYS H A 53 LEU HDy% 1.0 . 4.57 805 593 A 50 CYS H A 53 LEU HDx% 1.0 . 4.57 806 594 A 52 TRP H A 50 CYS HBx 1.0 . 4.29 807 594 A 52 TRP H A 50 CYS HBy 1.0 . 4.29 808 595 A 53 LEU H A 50 CYS HBx 1.0 . 4.14 809 595 A 53 LEU H A 50 CYS HBy 1.0 . 4.14 810 596 A 50 CYS HBy A 53 LEU HDy% 1.0 . 4.09 811 596 A 50 CYS HBx A 53 LEU HDy% 1.0 . 4.09 812 596 A 53 LEU HDx% A 50 CYS HBx 1.0 . 4.09 813 596 A 50 CYS HBy A 53 LEU HDx% 1.0 . 4.09 814 597 A 51 ARG HA A 54 LEU HBx 1.0 . 3.23 815 597 A 51 ARG HA A 54 LEU HBy 1.0 . 3.23 816 598 A 52 TRP H A 51 ARG HBx 1.0 . 3.73 817 598 A 52 TRP H A 51 ARG HBy 1.0 . 3.73 818 599 A 52 TRP H A 52 TRP HBy 1.0 . 2.78 819 599 A 52 TRP H A 52 TRP HBx 1.0 . 2.78 820 600 A 52 TRP HA A 52 TRP HBy 1.0 . 2.60 821 600 A 52 TRP HA A 52 TRP HBx 1.0 . 2.60 822 601 A 52 TRP HD1 A 52 TRP HBy 1.0 . 3.41 823 601 A 52 TRP HD1 A 52 TRP HBx 1.0 . 3.41 824 602 A 52 TRP HE3 A 52 TRP HBy 1.0 . 3.40 825 602 A 52 TRP HE3 A 52 TRP HBx 1.0 . 3.40 826 603 A 53 LEU H A 52 TRP HBy 1.0 . 3.83 827 603 A 53 LEU H A 52 TRP HBx 1.0 . 3.83 828 604 A 52 TRP HE3 A 53 LEU HDy% 1.0 . 4.11 829 604 A 52 TRP HE3 A 53 LEU HDx% 1.0 . 4.11 830 605 A 52 TRP HZ3 A 53 LEU HDy% 1.0 . 4.23 831 605 A 52 TRP HZ3 A 53 LEU HDx% 1.0 . 4.23 832 606 A 53 LEU H A 53 LEU HBx 1.0 . 2.83 833 606 A 53 LEU H A 53 LEU HBy 1.0 . 2.83 834 607 A 53 LEU HA A 53 LEU HDy% 1.0 . 3.40 835 607 A 53 LEU HA A 53 LEU HDx% 1.0 . 3.40 836 608 A 53 LEU HBx A 53 LEU HDy% 1.0 . 2.86 837 608 A 53 LEU HBy A 53 LEU HDy% 1.0 . 2.86 838 608 A 53 LEU HDx% A 53 LEU HBx 1.0 . 2.86 839 608 A 53 LEU HDx% A 53 LEU HBy 1.0 . 2.86 840 609 A 54 LEU H A 54 LEU HBx 1.0 . 2.84 841 609 A 54 LEU H A 54 LEU HBy 1.0 . 2.84 842 610 A 54 LEU H A 54 LEU HDy% 1.0 . 4.23 843 610 A 54 LEU H A 54 LEU HDx% 1.0 . 4.23 844 611 A 54 LEU HA A 54 LEU HBx 1.0 . 2.30 845 611 A 54 LEU HA A 54 LEU HBy 1.0 . 2.30 846 612 A 54 LEU HA A 54 LEU HDy% 1.0 . 3.55 847 612 A 54 LEU HA A 54 LEU HDx% 1.0 . 3.55 848 613 A 55 GLU H A 54 LEU HBx 1.0 . 4.15 849 613 A 55 GLU H A 54 LEU HBy 1.0 . 4.15 850 614 A 55 GLU H A 54 LEU HDy% 1.0 . 5.66 851 614 A 55 GLU H A 54 LEU HDx% 1.0 . 5.66 852 615 A 55 GLU H A 55 GLU HBx 1.0 . 3.10 853 615 A 55 GLU H A 55 GLU HBy 1.0 . 3.10 854 616 A 55 GLU H A 55 GLU HGx 1.0 . 3.37 855 616 A 55 GLU H A 55 GLU HGy 1.0 . 3.37 856 617 A 56 HIS H A 55 GLU HBx 1.0 . 3.73 857 617 A 56 HIS H A 55 GLU HBy 1.0 . 3.73 858 618 A 56 HIS HD2 A 55 GLU HBx 1.0 . 4.81 859 618 A 56 HIS HD2 A 55 GLU HBy 1.0 . 4.81 860 619 A 56 HIS H A 56 HIS HBy 1.0 . 3.39 861 619 A 56 HIS H A 56 HIS HBx 1.0 . 3.39 862 620 A 56 HIS HA A 56 HIS HBy 1.0 . 2.61 863 620 A 56 HIS HA A 56 HIS HBx 1.0 . 2.61 864 621 A 57 GLU H A 56 HIS HBy 1.0 . 4.26 865 621 A 57 GLU H A 56 HIS HBx 1.0 . 4.26 866 622 A 57 GLU H A 57 GLU HBx 1.0 . 3.24 867 622 A 57 GLU H A 57 GLU HBy 1.0 . 3.24 868 623 A 57 GLU H A 57 GLU HGx 1.0 . 3.38 869 623 A 57 GLU H A 57 GLU HGy 1.0 . 3.38 870 624 A 57 GLU HA A 57 GLU HBx 1.0 . 2.59 871 624 A 57 GLU HA A 57 GLU HBy 1.0 . 2.59 872 625 A 58 GLU H A 57 GLU HBx 1.0 . 3.88 873 625 A 58 GLU H A 57 GLU HBy 1.0 . 3.88 874 626 A 58 GLU H A 58 GLU HBx 1.0 . 3.21 875 626 A 58 GLU H A 58 GLU HBy 1.0 . 3.21 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 15 GLY C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -139.0 -79.0 PHI 2 2 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 HIS N 1.0 114.0 174.0 PSI 3 3 A 16 LYS C A 17 HIS N A 17 HIS CA A 17 HIS C 1.0 -141.0 -81.0 PHI 4 4 A 17 HIS N A 17 HIS CA A 17 HIS C A 18 CYS N 1.0 98.0 158.0 PSI 5 5 A 17 HIS C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -106.0 -46.0 PHI 6 6 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 ALA N 1.0 103.0 151.0 PSI 7 7 A 19 ALA C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -129.0 -69.0 PHI 8 8 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 CYS N 1.0 -53.0 7.0 PSI 9 9 A 22 ARG C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -119.0 -59.0 PHI 10 10 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 LEU N 1.0 114.0 154.0 PSI 11 11 A 23 GLN C A 24 LEU N A 24 LEU CA A 24 LEU C 1.0 -120.0 -60.0 PHI 12 12 A 24 LEU N A 24 LEU CA A 24 LEU C A 25 ASP N 1.0 105.0 161.0 PSI 13 13 A 24 LEU C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -143.0 -83.0 PHI 14 14 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 PHE N 1.0 116.0 164.0 PSI 15 15 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 PHE N 1.0 130.0 170.0 PSI 16 16 A 28 PRO C A 29 PHE N A 29 PHE CA A 29 PHE C 1.0 -128.0 -68.0 PHI 17 17 A 29 PHE N A 29 PHE CA A 29 PHE C A 30 HIS N 1.0 106.0 150.0 PSI 18 18 A 29 PHE C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -132.0 -72.0 PHI 19 19 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 CYS N 1.0 95.0 139.0 PSI 20 20 A 30 HIS C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -118.0 -86.0 PHI 21 21 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 SER N 1.0 110.0 142.0 PSI 22 22 A 32 SER C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -117.0 -57.0 PHI 23 23 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 CYS N 1.0 -47.0 -15.0 PSI 24 24 A 33 PHE C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -118.0 -78.0 PHI 25 25 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ASN N 1.0 -30.0 10.0 PSI 26 26 A 34 CYS C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 42.0 90.0 PHI 27 27 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 GLU N 1.0 0.0 60.0 PSI 28 28 A 35 ASN C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -152.0 -92.0 PHI 29 29 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ASP N 1.0 129.0 189.0 PSI 30 30 A 36 GLU C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -158.0 -98.0 PHI 31 31 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 PHE N 1.0 136.0 164.0 PSI 32 32 A 37 ASP C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -168.0 -112.0 PHI 33 33 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 CYS N 1.0 133.0 169.0 PSI 34 34 A 39 CYS C A 40 SER N A 40 SER CA A 40 SER C 1.0 -71.0 -51.0 PHI 35 35 A 40 SER N A 40 SER CA A 40 SER C A 41 ASN N 1.0 -46.0 -22.0 PSI 36 36 A 40 SER C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -88.0 -52.0 PHI 37 37 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 HIS N 1.0 -54.0 -2.0 PSI 38 38 A 41 ASN C A 42 HIS N A 42 HIS CA A 42 HIS C 1.0 -121.0 -61.0 PHI 39 39 A 42 HIS N A 42 HIS CA A 42 HIS C A 43 ARG N 1.0 -41.0 19.0 PSI 40 40 A 42 HIS C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -89.0 -41.0 PHI 41 41 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 LEU N 1.0 -66.0 -14.0 PSI 42 42 A 44 LEU C A 45 LYS N A 45 LYS CA A 45 LYS C 1.0 -75.0 -43.0 PHI 43 43 A 45 LYS N A 45 LYS CA A 45 LYS C A 46 GLU N 1.0 -62.0 -30.0 PSI 44 44 A 45 LYS C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -75.0 -55.0 PHI 45 45 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASP N 1.0 -47.0 -19.0 PSI 46 46 A 46 GLU C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -82.0 -50.0 PHI 47 47 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 HIS N 1.0 -53.0 -5.0 PSI 48 48 A 47 ASP C A 48 HIS N A 48 HIS CA A 48 HIS C 1.0 -113.0 -77.0 PHI 49 49 A 48 HIS N A 48 HIS CA A 48 HIS C A 49 HIS N 1.0 -13.0 19.0 PSI 50 50 A 48 HIS C A 49 HIS N A 49 HIS CA A 49 HIS C 1.0 27.0 87.0 PHI 51 51 A 49 HIS N A 49 HIS CA A 49 HIS C A 50 CYS N 1.0 17.0 61.0 PSI 52 52 A 49 HIS C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -101.0 -41.0 PHI 53 53 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ARG N 1.0 111.0 171.0 PSI 54 54 A 50 CYS C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -73.0 -53.0 PHI 55 55 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 TRP N 1.0 -69.0 -9.0 PSI 56 56 A 51 ARG C A 52 TRP N A 52 TRP CA A 52 TRP C 1.0 -73.0 -53.0 PHI 57 57 A 52 TRP N A 52 TRP CA A 52 TRP C A 53 LEU N 1.0 -67.0 -15.0 PSI 58 58 A 52 TRP C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -81.0 -49.0 PHI 59 59 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 LEU N 1.0 -51.0 -7.0 PSI 60 60 A 53 LEU C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -103.0 -43.0 PHI 61 61 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 GLU N 1.0 -55.0 -19.0 PSI 62 62 A 54 LEU C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -118.0 -58.0 PHI 63 63 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 HIS N 1.0 -55.0 5.0 PSI stop_ save_