data_nef_c30039_5ix5 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 5IX5 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 8 CYS SG 1 38 CYS SG 1 24 CYS SG 1 47 CYS SG 1 28 CYS SG 1 49 CYS SG 1 33 CYS SG 1 52 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASP middle . . 3 A 3 ILE middle . . 4 A 4 ASP middle . . 5 A 5 PHE middle . . 6 A 6 SER middle . . 7 A 7 THR middle . . 8 A 8 CYS middle -HG . 9 A 9 ALA middle . . 10 A 10 ARG middle . . 11 A 11 MET middle . . 12 A 12 ASP middle . . 13 A 13 VAL middle . . 14 A 14 PRO middle . false 15 A 15 ILE middle . . 16 A 16 LEU middle . . 17 A 17 LYS middle . . 18 A 18 LYS middle . . 19 A 19 ALA middle . . 20 A 20 ALA middle . . 21 A 21 GLN middle . . 22 A 22 GLY middle . false 23 A 23 LEU middle . . 24 A 24 CYS middle -HG . 25 A 25 ILE middle . . 26 A 26 THR middle . . 27 A 27 SER middle . . 28 A 28 CYS middle -HG . 29 A 29 SER middle . . 30 A 30 MET middle . . 31 A 31 GLN middle . . 32 A 32 ASN middle . . 33 A 33 CYS middle -HG . 34 A 34 GLY middle . false 35 A 35 THR middle . . 36 A 36 GLY middle . false 37 A 37 SER middle . . 38 A 38 CYS middle -HG . 39 A 39 LYS middle . . 40 A 40 LYS middle . . 41 A 41 ARG middle . . 42 A 42 SER middle . . 43 A 43 GLY middle . false 44 A 44 ARG middle . . 45 A 45 PRO middle . false 46 A 46 THR middle . . 47 A 47 CYS middle -HG . 48 A 48 VAL middle . . 49 A 49 CYS middle -HG . 50 A 50 TYR middle . . 51 A 51 ARG middle . . 52 A 52 CYS middle -HG . 53 A 53 ALA middle . . 54 A 54 ASN middle . . 55 A 55 GLY middle . false 56 A 56 GLY middle . false 57 A 57 GLY middle . false 58 A 58 ASP middle . . 59 A 59 ILE middle . . 60 A 60 PRO middle . false 61 A 61 LEU middle . . 62 A 62 GLY middle . false 63 A 63 ALA middle . . 64 A 64 LEU middle . . 65 A 65 ILE middle . . 66 A 66 LYS middle . . 67 A 67 ARG middle . . 68 A 68 GLY end . false 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 MET HA H 1 4.019 0.000 A 1 MET HBy H 1 2.563 0.000 A 1 MET HBx H 1 2.535 0.000 A 1 MET HGx H 1 2.105 0.000 A 1 MET HGy H 1 2.105 0.000 A 1 MET CA C 13 54.917 0.000 A 1 MET CB C 13 30.951 0.002 A 1 MET CG C 13 33.212 0.000 A 2 ASP HA H 1 4.738 0.000 A 2 ASP HBy H 1 2.783 0.000 A 2 ASP HBx H 1 2.617 0.000 A 2 ASP CA C 13 54.051 0.000 A 2 ASP CB C 13 41.425 0.008 A 3 ILE H H 1 8.430 0.000 A 3 ILE HA H 1 4.115 0.000 A 3 ILE HB H 1 1.786 0.000 A 3 ILE HD1% H 1 0.849 0.000 A 3 ILE HG1y H 1 1.391 0.000 A 3 ILE HG1x H 1 1.153 0.000 A 3 ILE HG2% H 1 0.750 0.000 A 3 ILE CA C 13 61.517 0.000 A 3 ILE CB C 13 38.775 0.000 A 3 ILE CD1 C 13 13.385 0.000 A 3 ILE CG1 C 13 27.978 0.002 A 3 ILE CG2 C 13 17.710 0.000 A 3 ILE N N 15 122.423 0.000 A 4 ASP H H 1 8.290 0.000 A 4 ASP HA H 1 4.484 0.000 A 4 ASP HBy H 1 2.752 0.000 A 4 ASP HBx H 1 2.628 0.000 A 4 ASP CA C 13 55.170 0.000 A 4 ASP CB C 13 41.306 0.000 A 4 ASP N N 15 123.559 0.000 A 5 PHE H H 1 8.188 0.000 A 5 PHE HA H 1 4.541 0.000 A 5 PHE HBy H 1 3.213 0.000 A 5 PHE HBx H 1 3.090 0.000 A 5 PHE HDx H 1 7.264 0.000 A 5 PHE HDy H 1 7.264 0.000 A 5 PHE HEx H 1 7.315 0.000 A 5 PHE HEy H 1 7.315 0.000 A 5 PHE CA C 13 58.787 0.000 A 5 PHE CB C 13 39.272 0.001 A 5 PHE CDx C 13 131.707 0.000 A 5 PHE CDy C 13 131.707 0.000 A 5 PHE CEx C 13 131.509 0.000 A 5 PHE CEy C 13 131.509 0.000 A 5 PHE N N 15 121.977 0.000 A 6 SER H H 1 8.395 0.000 A 6 SER HA H 1 4.258 0.000 A 6 SER HBy H 1 3.948 0.000 A 6 SER HBx H 1 3.863 0.000 A 6 SER CA C 13 59.915 0.000 A 6 SER CB C 13 63.303 0.003 A 6 SER N N 15 115.729 0.000 A 7 THR H H 1 8.050 0.000 A 7 THR HA H 1 3.946 0.000 A 7 THR HB H 1 3.909 0.000 A 7 THR HG2% H 1 1.220 0.000 A 7 THR CA C 13 65.534 0.000 A 7 THR CB C 13 69.596 0.000 A 7 THR CG2 C 13 21.982 0.000 A 7 THR N N 15 116.661 0.000 A 8 CYS H H 1 8.056 0.000 A 8 CYS HA H 1 4.666 0.000 A 8 CYS HBy H 1 3.359 0.000 A 8 CYS HBx H 1 2.484 0.000 A 8 CYS CA C 13 55.921 0.000 A 8 CYS CB C 13 40.692 0.035 A 8 CYS N N 15 113.798 0.000 A 9 ALA H H 1 7.555 0.000 A 9 ALA HA H 1 3.764 0.000 A 9 ALA HB% H 1 1.318 0.000 A 9 ALA CA C 13 55.699 0.000 A 9 ALA CB C 13 18.939 0.000 A 9 ALA N N 15 122.850 0.000 A 10 ARG H H 1 8.526 0.000 A 10 ARG HA H 1 4.475 0.000 A 10 ARG HBy H 1 2.119 0.000 A 10 ARG HBx H 1 1.670 0.000 A 10 ARG HDy H 1 3.127 0.000 A 10 ARG HDx H 1 3.044 0.000 A 10 ARG HGy H 1 1.699 0.000 A 10 ARG HGx H 1 1.657 0.000 A 10 ARG CA C 13 54.702 0.000 A 10 ARG CB C 13 28.428 0.004 A 10 ARG CD C 13 42.862 0.001 A 10 ARG CG C 13 26.887 0.003 A 10 ARG N N 15 113.941 0.000 A 11 MET H H 1 7.632 0.000 A 11 MET HA H 1 3.895 0.000 A 11 MET HBy H 1 2.295 0.000 A 11 MET HBx H 1 2.060 0.000 A 11 MET HGy H 1 2.674 0.000 A 11 MET HGx H 1 2.234 0.000 A 11 MET CA C 13 58.854 0.000 A 11 MET CB C 13 32.212 0.027 A 11 MET CG C 13 30.352 0.001 A 11 MET N N 15 114.466 0.000 A 12 ASP H H 1 8.462 0.000 A 12 ASP HA H 1 4.800 0.000 A 12 ASP HBy H 1 2.878 0.000 A 12 ASP HBx H 1 2.501 0.000 A 12 ASP CA C 13 54.008 0.000 A 12 ASP CB C 13 40.671 0.008 A 12 ASP N N 15 117.689 0.000 A 13 VAL H H 1 7.748 0.000 A 13 VAL HA H 1 4.342 0.000 A 13 VAL HB H 1 2.288 0.000 A 13 VAL HGx% H 1 1.072 0.000 A 13 VAL HGy% H 1 0.972 0.000 A 13 VAL CA C 13 60.200 0.000 A 13 VAL CB C 13 32.423 0.000 A 13 VAL CGy C 13 21.037 0.000 A 13 VAL CGx C 13 20.891 0.000 A 13 VAL N N 15 125.461 0.000 A 14 PRO HA H 1 4.129 0.000 A 14 PRO HBy H 1 2.403 0.000 A 14 PRO HBx H 1 2.019 0.000 A 14 PRO HDy H 1 4.251 0.000 A 14 PRO HDx H 1 3.879 0.930 A 14 PRO HGy H 1 2.205 0.000 A 14 PRO HGx H 1 2.018 0.000 A 14 PRO CA C 13 66.268 0.000 A 14 PRO CB C 13 32.110 0.004 A 14 PRO CD C 13 50.825 0.002 A 14 PRO CG C 13 27.555 0.000 A 15 ILE HB H 1 2.234 0.000 A 15 ILE HD1% H 1 0.904 0.000 A 15 ILE HG1y H 1 1.459 0.000 A 15 ILE HG1x H 1 1.287 0.000 A 15 ILE HG2% H 1 0.964 0.000 A 15 ILE CB C 13 36.529 0.000 A 15 ILE CD1 C 13 13.300 0.000 A 15 ILE CG1 C 13 27.880 0.003 A 15 ILE CG2 C 13 17.548 0.000 A 17 LYS HA H 1 3.907 0.000 A 17 LYS HBx H 1 1.898 0.000 A 17 LYS HBy H 1 1.898 0.000 A 17 LYS HDx H 1 1.702 0.000 A 17 LYS HDy H 1 1.702 0.000 A 17 LYS HEy H 1 2.976 0.000 A 17 LYS HEx H 1 2.881 0.000 A 17 LYS HGx H 1 1.479 0.000 A 17 LYS HGy H 1 1.479 0.000 A 17 LYS CA C 13 60.190 0.000 A 17 LYS CB C 13 32.142 0.000 A 17 LYS CD C 13 29.469 0.000 A 17 LYS CE C 13 41.597 0.012 A 17 LYS CG C 13 24.112 0.000 A 18 LYS HA H 1 4.135 0.000 A 18 LYS HBx H 1 1.881 0.000 A 18 LYS HBy H 1 1.881 0.000 A 18 LYS HDx H 1 1.718 0.000 A 18 LYS HDy H 1 1.718 0.000 A 18 LYS HEx H 1 2.999 0.000 A 18 LYS HEy H 1 2.999 0.000 A 18 LYS HGy H 1 1.547 0.000 A 18 LYS HGx H 1 1.441 0.000 A 18 LYS CA C 13 59.253 0.000 A 18 LYS CB C 13 31.709 0.000 A 18 LYS CD C 13 29.019 0.000 A 18 LYS CE C 13 41.738 0.000 A 18 LYS CG C 13 25.281 0.022 A 19 ALA H H 1 7.871 0.000 A 19 ALA HA H 1 4.205 0.000 A 19 ALA HB% H 1 1.500 0.000 A 19 ALA CA C 13 54.380 0.000 A 19 ALA CB C 13 17.679 0.000 A 19 ALA N N 15 124.057 0.000 A 20 ALA H H 1 7.947 0.000 A 20 ALA HA H 1 4.226 0.000 A 20 ALA HB% H 1 1.507 0.000 A 20 ALA CA C 13 54.882 0.000 A 20 ALA CB C 13 18.167 0.000 A 20 ALA N N 15 122.558 0.000 A 21 GLN H H 1 7.940 0.000 A 21 GLN HA H 1 4.132 0.000 A 21 GLN HBx H 1 2.199 0.000 A 21 GLN HBy H 1 2.199 0.000 A 21 GLN HGy H 1 2.524 0.000 A 21 GLN HGx H 1 2.506 0.000 A 21 GLN CA C 13 59.034 0.000 A 21 GLN CB C 13 30.447 2.231 A 21 GLN CG C 13 32.670 0.000 A 21 GLN N N 15 116.553 0.000 A 22 GLY H H 1 8.200 0.000 A 22 GLY HAy H 1 3.925 0.000 A 22 GLY HAx H 1 3.857 0.000 A 22 GLY CA C 13 47.166 0.003 A 22 GLY N N 15 105.487 0.000 A 23 LEU H H 1 8.156 0.000 A 23 LEU HA H 1 4.251 0.000 A 23 LEU HBy H 1 2.016 0.000 A 23 LEU HBx H 1 1.681 0.000 A 23 LEU HDx% H 1 0.990 0.000 A 23 LEU HDy% H 1 0.964 0.000 A 23 LEU HG H 1 1.742 0.000 A 23 LEU CA C 13 57.460 0.000 A 23 LEU CB C 13 41.540 0.001 A 23 LEU CDy C 13 24.213 0.000 A 23 LEU CDx C 13 23.942 0.000 A 23 LEU CG C 13 27.092 0.000 A 23 LEU N N 15 123.645 0.000 A 24 CYS H H 1 8.165 0.000 A 24 CYS HA H 1 4.564 0.000 A 24 CYS HBy H 1 3.103 0.000 A 24 CYS HBx H 1 2.810 0.000 A 24 CYS CA C 13 57.337 0.000 A 24 CYS CB C 13 35.923 0.001 A 24 CYS N N 15 120.471 0.000 A 25 ILE H H 1 8.706 0.000 A 25 ILE HA H 1 3.275 0.000 A 25 ILE HB H 1 1.954 0.000 A 25 ILE HD1% H 1 0.962 0.000 A 25 ILE HG1y H 1 1.871 0.000 A 25 ILE HG1x H 1 1.120 0.000 A 25 ILE HG2% H 1 0.965 0.000 A 25 ILE CA C 13 67.202 0.000 A 25 ILE CB C 13 38.274 0.000 A 25 ILE CD1 C 13 13.998 0.000 A 25 ILE CG1 C 13 30.739 0.004 A 25 ILE CG2 C 13 17.503 0.000 A 25 ILE N N 15 120.932 0.000 A 26 THR H H 1 8.531 0.000 A 26 THR HA H 1 3.907 0.000 A 26 THR HB H 1 4.231 0.000 A 26 THR HG2% H 1 1.278 0.000 A 26 THR CA C 13 66.867 0.000 A 26 THR CB C 13 68.525 0.000 A 26 THR CG2 C 13 21.823 0.000 A 26 THR N N 15 117.261 0.000 A 27 SER H H 1 8.475 0.000 A 27 SER HA H 1 4.275 0.000 A 27 SER HBy H 1 4.094 0.000 A 27 SER HBx H 1 3.959 0.000 A 27 SER CA C 13 63.139 0.000 A 27 SER CB C 13 63.138 0.003 A 27 SER N N 15 119.601 0.000 A 28 CYS H H 1 8.821 0.000 A 28 CYS HA H 1 4.211 0.000 A 28 CYS HBy H 1 2.688 0.000 A 28 CYS HBx H 1 2.578 0.000 A 28 CYS CA C 13 58.412 0.000 A 28 CYS CB C 13 36.576 0.000 A 28 CYS N N 15 120.920 0.000 A 29 SER H H 1 8.530 0.000 A 29 SER HA H 1 4.757 0.000 A 29 SER HBy H 1 4.109 0.000 A 29 SER HBx H 1 4.095 0.000 A 29 SER CA C 13 61.421 0.000 A 29 SER CB C 13 62.329 0.001 A 29 SER N N 15 119.517 0.000 A 30 MET H H 1 7.666 0.000 A 30 MET HA H 1 4.399 0.000 A 30 MET HBy H 1 2.856 0.000 A 30 MET HBx H 1 2.694 0.000 A 30 MET HGx H 1 2.292 0.000 A 30 MET HGy H 1 2.292 0.000 A 30 MET CA C 13 57.325 0.000 A 30 MET CB C 13 32.273 0.001 A 30 MET CG C 13 32.189 0.000 A 30 MET N N 15 121.318 0.000 A 31 GLN H H 1 7.282 0.000 A 31 GLN HA H 1 4.508 0.000 A 31 GLN HBy H 1 2.539 0.000 A 31 GLN HBx H 1 1.931 0.000 A 31 GLN HGy H 1 2.519 0.000 A 31 GLN HGx H 1 2.191 0.000 A 31 GLN CA C 13 53.156 0.000 A 31 GLN CB C 13 27.733 0.001 A 31 GLN CG C 13 32.447 0.000 A 31 GLN N N 15 116.126 0.000 A 32 ASN H H 1 7.908 0.000 A 32 ASN HA H 1 4.404 0.000 A 32 ASN HBy H 1 3.181 0.000 A 32 ASN HBx H 1 3.011 0.000 A 32 ASN CA C 13 54.199 0.000 A 32 ASN CB C 13 36.435 0.013 A 32 ASN N N 15 112.224 0.000 A 33 CYS H H 1 7.719 0.000 A 33 CYS HA H 1 5.277 0.000 A 33 CYS HBy H 1 3.313 0.000 A 33 CYS HBx H 1 2.932 0.000 A 33 CYS CA C 13 55.823 0.000 A 33 CYS CB C 13 46.612 0.001 A 33 CYS N N 15 115.131 0.000 A 34 GLY H H 1 8.325 0.000 A 34 GLY HAy H 1 3.939 0.000 A 34 GLY HAx H 1 3.767 0.000 A 34 GLY CA C 13 46.837 0.018 A 34 GLY N N 15 110.492 0.000 A 35 THR H H 1 7.816 0.000 A 35 THR HA H 1 4.546 0.000 A 35 THR HB H 1 4.296 0.000 A 35 THR HG2% H 1 0.930 0.000 A 35 THR CA C 13 60.892 0.000 A 35 THR CB C 13 68.015 0.000 A 35 THR CG2 C 13 19.295 0.000 A 35 THR N N 15 110.945 0.000 A 36 GLY H H 1 8.050 0.000 A 36 GLY HAy H 1 5.303 0.000 A 36 GLY HAx H 1 4.062 0.000 A 36 GLY CA C 13 46.135 0.004 A 36 GLY N N 15 107.820 0.000 A 37 SER H H 1 9.371 0.000 A 37 SER HA H 1 4.674 0.000 A 37 SER HBx H 1 3.790 0.000 A 37 SER HBy H 1 3.790 0.000 A 37 SER CA C 13 57.469 0.000 A 37 SER CB C 13 66.676 0.000 A 37 SER N N 15 113.524 0.000 A 38 CYS H H 1 9.087 0.000 A 38 CYS HA H 1 5.497 0.000 A 38 CYS HBy H 1 3.611 0.000 A 38 CYS HBx H 1 2.879 0.000 A 38 CYS CA C 13 53.877 0.000 A 38 CYS CB C 13 38.073 0.010 A 38 CYS N N 15 123.768 0.000 A 39 LYS H H 1 9.407 0.000 A 39 LYS HA H 1 4.659 0.000 A 39 LYS HBy H 1 1.835 0.000 A 39 LYS HBx H 1 1.568 0.000 A 39 LYS HDy H 1 1.776 0.000 A 39 LYS HDx H 1 1.684 0.000 A 39 LYS HEy H 1 3.028 0.000 A 39 LYS HEx H 1 2.917 0.000 A 39 LYS HGx H 1 1.407 0.000 A 39 LYS HGy H 1 1.407 0.000 A 39 LYS CA C 13 53.768 0.000 A 39 LYS CB C 13 36.978 0.004 A 39 LYS CD C 13 28.702 0.003 A 39 LYS CE C 13 41.941 0.009 A 39 LYS CG C 13 24.458 0.000 A 39 LYS N N 15 124.525 0.000 A 40 LYS H H 1 8.759 0.000 A 40 LYS HA H 1 4.615 0.000 A 40 LYS HBy H 1 1.797 0.000 A 40 LYS HBx H 1 1.345 0.000 A 40 LYS HDy H 1 1.455 0.000 A 40 LYS HDx H 1 1.372 0.000 A 40 LYS HEx H 1 2.885 0.000 A 40 LYS HEy H 1 2.885 0.000 A 40 LYS HGx H 1 1.105 0.000 A 40 LYS HGy H 1 1.105 0.000 A 40 LYS CA C 13 54.861 0.000 A 40 LYS CB C 13 32.501 0.006 A 40 LYS CD C 13 28.460 0.001 A 40 LYS CE C 13 41.609 0.000 A 40 LYS CG C 13 25.036 0.000 A 40 LYS N N 15 120.658 0.000 A 41 ARG H H 1 8.282 0.000 A 41 ARG HA H 1 4.636 0.000 A 41 ARG HBx H 1 1.783 0.000 A 41 ARG HBy H 1 1.783 0.000 A 41 ARG HDy H 1 3.213 0.000 A 41 ARG HDx H 1 3.111 0.000 A 41 ARG HGy H 1 1.522 0.000 A 41 ARG HGx H 1 1.400 0.000 A 41 ARG CA C 13 54.193 0.000 A 41 ARG CB C 13 31.684 0.000 A 41 ARG CD C 13 43.286 0.000 A 41 ARG CG C 13 27.104 0.008 A 41 ARG N N 15 124.828 0.000 A 42 SER H H 1 9.592 0.000 A 42 SER HA H 1 4.017 0.000 A 42 SER HBy H 1 4.108 0.000 A 42 SER HBx H 1 3.870 0.000 A 42 SER CA C 13 58.430 0.000 A 42 SER CB C 13 61.632 0.010 A 42 SER N N 15 123.186 0.000 A 43 GLY H H 1 8.584 0.000 A 43 GLY HAy H 1 4.199 0.000 A 43 GLY HAx H 1 3.539 0.000 A 43 GLY CA C 13 44.844 0.000 A 43 GLY N N 15 103.297 0.000 A 44 ARG H H 1 7.781 0.000 A 44 ARG HA H 1 4.972 0.000 A 44 ARG HBy H 1 1.796 0.000 A 44 ARG HBx H 1 1.760 0.000 A 44 ARG HDx H 1 3.095 0.000 A 44 ARG HDy H 1 3.095 0.000 A 44 ARG HGy H 1 1.602 0.000 A 44 ARG HGx H 1 1.556 0.000 A 44 ARG CA C 13 52.943 0.000 A 44 ARG CB C 13 31.739 0.003 A 44 ARG CD C 13 43.181 0.000 A 44 ARG CG C 13 26.499 0.000 A 44 ARG N N 15 120.269 0.000 A 45 PRO HA H 1 4.413 0.000 A 45 PRO HBy H 1 2.039 0.000 A 45 PRO HBx H 1 1.669 0.000 A 45 PRO HDy H 1 4.033 0.000 A 45 PRO HDx H 1 3.748 0.000 A 45 PRO HGy H 1 2.184 0.000 A 45 PRO HGx H 1 1.851 0.000 A 45 PRO CA C 13 64.032 0.000 A 45 PRO CB C 13 32.825 0.003 A 45 PRO CD C 13 51.505 0.002 A 45 PRO CG C 13 27.747 0.004 A 46 THR H H 1 9.188 0.000 A 46 THR HA H 1 4.425 0.000 A 46 THR HB H 1 3.857 0.000 A 46 THR HG2% H 1 1.110 0.000 A 46 THR CA C 13 62.115 0.000 A 46 THR CB C 13 72.624 0.000 A 46 THR CG2 C 13 20.225 0.000 A 46 THR N N 15 122.211 0.000 A 47 CYS H H 1 9.067 0.000 A 47 CYS HA H 1 5.044 0.000 A 47 CYS HBy H 1 3.220 0.000 A 47 CYS HBx H 1 2.629 0.000 A 47 CYS CA C 13 55.274 0.000 A 47 CYS CB C 13 35.344 0.001 A 47 CYS N N 15 126.771 0.000 A 48 VAL H H 1 8.992 0.000 A 48 VAL HA H 1 4.105 0.000 A 48 VAL HB H 1 2.001 0.000 A 48 VAL HGx% H 1 0.547 0.000 A 48 VAL HGy% H 1 0.770 0.000 A 48 VAL CA C 13 61.637 0.000 A 48 VAL CB C 13 33.156 0.000 A 48 VAL CGx C 13 21.821 0.000 A 48 VAL CGy C 13 21.864 0.000 A 48 VAL N N 15 133.029 0.000 A 49 CYS H H 1 8.559 0.000 A 49 CYS HA H 1 5.426 0.000 A 49 CYS HBy H 1 3.088 0.000 A 49 CYS HBx H 1 2.589 0.000 A 49 CYS CA C 13 51.827 0.000 A 49 CYS CB C 13 38.254 0.001 A 49 CYS N N 15 122.563 0.000 A 50 TYR H H 1 8.389 0.000 A 50 TYR HA H 1 4.764 0.000 A 50 TYR HBy H 1 3.125 0.000 A 50 TYR HBx H 1 2.468 0.000 A 50 TYR HDx H 1 6.987 0.000 A 50 TYR HDy H 1 6.987 0.000 A 50 TYR HEx H 1 6.660 0.000 A 50 TYR HEy H 1 6.660 0.000 A 50 TYR CA C 13 56.724 0.000 A 50 TYR CB C 13 41.903 0.007 A 50 TYR CDx C 13 133.209 0.000 A 50 TYR CDy C 13 133.209 0.000 A 50 TYR CEx C 13 118.553 0.000 A 50 TYR CEy C 13 118.553 0.000 A 50 TYR N N 15 117.902 0.000 A 51 ARG H H 1 9.052 0.000 A 51 ARG HA H 1 3.996 0.000 A 51 ARG HBy H 1 1.979 0.000 A 51 ARG HBx H 1 1.899 0.000 A 51 ARG HDy H 1 3.224 0.000 A 51 ARG HDx H 1 3.165 0.000 A 51 ARG HGx H 1 1.606 0.000 A 51 ARG HGy H 1 1.606 0.000 A 51 ARG CA C 13 56.743 0.000 A 51 ARG CB C 13 27.093 0.002 A 51 ARG CD C 13 43.745 0.002 A 51 ARG CG C 13 27.871 0.000 A 51 ARG N N 15 116.531 0.000 A 52 CYS H H 1 8.716 0.000 A 52 CYS HA H 1 5.035 0.000 A 52 CYS HBy H 1 3.323 0.000 A 52 CYS HBx H 1 2.754 0.000 A 52 CYS CA C 13 56.548 0.000 A 52 CYS CB C 13 42.816 0.002 A 52 CYS N N 15 119.604 0.000 A 53 ALA H H 1 8.375 0.000 A 53 ALA HA H 1 4.223 0.000 A 53 ALA HB% H 1 1.495 0.000 A 53 ALA CA C 13 54.149 0.000 A 53 ALA CB C 13 18.786 0.000 A 53 ALA N N 15 124.875 0.000 A 54 ASN H H 1 8.595 0.000 A 54 ASN HA H 1 4.557 0.000 A 54 ASN HBx H 1 2.885 0.000 A 54 ASN HBy H 1 2.885 0.000 A 54 ASN CA C 13 53.223 0.000 A 54 ASN CB C 13 37.575 0.000 A 54 ASN N N 15 115.179 0.000 A 55 GLY H H 1 8.171 0.000 A 55 GLY HAy H 1 4.151 0.000 A 55 GLY HAx H 1 3.799 0.000 A 55 GLY CA C 13 45.260 0.005 A 55 GLY N N 15 107.500 0.000 A 56 GLY H H 1 7.847 0.000 A 56 GLY HAy H 1 4.129 0.000 A 56 GLY HAx H 1 3.759 0.000 A 56 GLY CA C 13 44.846 0.006 A 56 GLY N N 15 108.390 0.000 A 57 GLY H H 1 8.151 0.000 A 57 GLY HAy H 1 4.199 0.000 A 57 GLY HAx H 1 3.932 0.000 A 57 GLY CA C 13 45.249 0.012 A 57 GLY N N 15 107.256 0.000 A 58 ASP H H 1 7.740 0.000 A 58 ASP HA H 1 4.111 0.000 A 58 ASP HBy H 1 2.954 0.000 A 58 ASP HBx H 1 2.446 0.000 A 58 ASP CA C 13 54.174 0.000 A 58 ASP CB C 13 40.645 0.012 A 58 ASP N N 15 120.757 0.000 A 59 ILE H H 1 7.885 0.000 A 59 ILE HB H 1 1.534 0.000 A 59 ILE HD1% H 1 0.719 0.000 A 59 ILE HG1y H 1 1.283 0.000 A 59 ILE HG1x H 1 0.903 0.000 A 59 ILE HG2% H 1 0.849 0.000 A 59 ILE CA C 13 31.017 26.452 A 59 ILE CB C 13 41.704 0.000 A 59 ILE CD1 C 13 13.521 0.000 A 59 ILE CG1 C 13 27.117 0.004 A 59 ILE CG2 C 13 16.946 0.000 A 59 ILE N N 15 121.142 0.000 A 60 PRO HA H 1 4.615 0.000 A 60 PRO HBy H 1 2.209 0.000 A 60 PRO HBx H 1 1.916 0.000 A 60 PRO HDy H 1 3.900 0.000 A 60 PRO HDx H 1 3.641 0.000 A 60 PRO HGy H 1 2.157 0.000 A 60 PRO HGx H 1 1.755 0.000 A 60 PRO CA C 13 62.799 0.000 A 60 PRO CB C 13 32.241 0.008 A 60 PRO CD C 13 51.249 0.001 A 60 PRO CG C 13 28.196 0.000 A 61 LEU H H 1 8.781 0.000 A 61 LEU HA H 1 4.022 0.000 A 61 LEU HDx% H 1 0.966 0.000 A 61 LEU HDy% H 1 0.823 0.000 A 61 LEU CA C 13 57.663 0.000 A 61 LEU CDy C 13 25.543 0.000 A 61 LEU CDx C 13 22.855 0.000 A 61 LEU N N 15 125.853 0.000 A 62 GLY H H 1 9.049 0.000 A 62 GLY HAy H 1 3.881 0.000 A 62 GLY HAx H 1 3.763 0.000 A 62 GLY CA C 13 46.358 0.008 A 62 GLY N N 15 105.121 0.000 A 63 ALA H H 1 7.758 0.000 A 63 ALA HA H 1 4.297 0.000 A 63 ALA HB% H 1 1.434 0.000 A 63 ALA CA C 13 52.959 0.000 A 63 ALA CB C 13 18.571 0.000 A 63 ALA N N 15 121.699 0.000 A 64 LEU H H 1 7.741 0.000 A 64 LEU HA H 1 4.215 0.000 A 64 LEU HBy H 1 1.909 0.000 A 64 LEU HBx H 1 1.573 0.000 A 64 LEU HDx% H 1 0.914 0.000 A 64 LEU HDy% H 1 0.889 0.000 A 64 LEU CA C 13 55.836 0.000 A 64 LEU CB C 13 42.703 0.002 A 64 LEU CDy C 13 26.515 0.000 A 64 LEU CDx C 13 23.405 0.000 A 64 LEU N N 15 119.527 0.000 A 65 ILE H H 1 7.520 0.000 A 65 ILE HA H 1 3.969 0.000 A 65 ILE HB H 1 1.825 0.000 A 65 ILE HD1% H 1 0.808 0.000 A 65 ILE HG1y H 1 1.455 0.000 A 65 ILE HG1x H 1 1.179 0.000 A 65 ILE HG2% H 1 0.872 0.000 A 65 ILE CA C 13 61.835 0.000 A 65 ILE CB C 13 38.581 0.000 A 65 ILE CD1 C 13 13.231 0.000 A 65 ILE CG1 C 13 27.358 0.001 A 65 ILE CG2 C 13 17.318 0.000 A 65 ILE N N 15 117.719 0.000 A 66 LYS H H 1 7.987 0.000 A 66 LYS HA H 1 4.283 0.000 A 66 LYS HBy H 1 1.844 0.000 A 66 LYS HBx H 1 1.784 0.000 A 66 LYS HDx H 1 1.669 0.000 A 66 LYS HDy H 1 1.669 0.000 A 66 LYS HEx H 1 2.975 0.000 A 66 LYS HEy H 1 2.975 0.000 A 66 LYS HGy H 1 1.459 0.000 A 66 LYS HGx H 1 1.403 0.000 A 66 LYS CA C 13 56.230 0.000 A 66 LYS CB C 13 32.681 0.000 A 66 LYS CD C 13 28.927 0.000 A 66 LYS CE C 13 41.777 0.000 A 66 LYS CG C 13 24.739 0.000 A 66 LYS N N 15 123.746 0.000 A 67 ARG H H 1 8.241 0.000 A 67 ARG HA H 1 4.351 0.000 A 67 ARG HBy H 1 1.896 0.000 A 67 ARG HBx H 1 1.797 0.000 A 67 ARG HDx H 1 3.192 0.000 A 67 ARG HDy H 1 3.192 0.000 A 67 ARG HGy H 1 1.696 0.000 A 67 ARG HGx H 1 1.661 0.000 A 67 ARG CA C 13 55.974 0.000 A 67 ARG CB C 13 30.905 0.001 A 67 ARG CD C 13 43.263 0.000 A 67 ARG CG C 13 26.904 0.006 A 67 ARG N N 15 123.006 0.000 A 68 GLY H H 1 7.991 0.000 A 68 GLY HAx H 1 3.743 0.000 A 68 GLY HAy H 1 3.743 0.000 A 68 GLY CA C 13 45.975 0.000 A 68 GLY N N 15 116.048 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 38 CYS HA A 48 VAL H 1.0 . 3.14 2 2 A 48 VAL H A 47 CYS HA 1.0 . 2.63 3 3 A 48 VAL H A 38 CYS HBy 1.0 . 4.15 4 4 A 48 VAL H A 46 THR HG2% 1.0 . 4.14 5 5 A 48 VAL H A 48 VAL HGx% 1.0 . 4.08 6 6 A 48 VAL H A 48 VAL HB 1.0 . 2.81 7 7 A 48 VAL H A 48 VAL HGy% 1.0 . 2.94 8 8 A 47 CYS H A 48 VAL HA 1.0 . 5.29 9 9 A 47 CYS H A 46 THR HB 1.0 . 4.27 10 10 A 38 CYS HBy A 47 CYS H 1.0 . 5.07 11 11 A 47 CYS H A 46 THR HA 1.0 . 2.69 12 12 A 47 CYS H A 47 CYS HBx 1.0 . 3.14 13 13 A 47 CYS H A 47 CYS HBy 1.0 . 2.96 14 14 A 46 THR HG2% A 47 CYS H 1.0 . 3.09 15 15 A 61 LEU H A 62 GLY H 1.0 . 3.42 16 16 A 61 LEU H A 63 ALA H 1.0 . 4.48 17 17 A 61 LEU H A 61 LEU HA 1.0 . 2.90 18 18 A 12 ASP H A 13 VAL H 1.0 . 2.51 19 19 A 13 VAL H A 12 ASP HA 1.0 . 3.36 20 20 A 13 VAL H A 13 VAL HGx% 1.0 . 2.40 21 20 A 13 VAL H A 13 VAL HGy% 1.0 . 2.40 22 21 A 39 LYS H A 41 ARG H 1.0 . 5.50 23 22 A 52 CYS H A 53 ALA H 1.0 . 4.85 24 23 A 53 ALA H A 54 ASN H 1.0 . 3.11 25 24 A 53 ALA H A 33 CYS HA 1.0 . 2.90 26 25 A 53 ALA H A 52 CYS HA 1.0 . 2.74 27 26 A 53 ALA H A 54 ASN HA 1.0 . 4.83 28 27 A 53 ALA H A 52 CYS HBx 1.0 . 3.17 29 28 A 41 ARG H A 41 ARG HDx 1.0 . 4.05 30 28 A 41 ARG H A 41 ARG HDy 1.0 . 4.05 31 29 A 53 ALA H A 55 GLY H 1.0 . 3.90 32 30 A 41 ARG H A 44 ARG H 1.0 . 3.07 33 31 A 41 ARG H A 40 LYS HA 1.0 . 2.40 34 32 A 41 ARG H A 41 ARG HBx 1.0 . 2.66 35 32 A 41 ARG H A 41 ARG HBy 1.0 . 2.66 36 33 A 53 ALA H A 53 ALA HB% 1.0 . 2.40 37 34 A 41 ARG H A 41 ARG HGx 1.0 . 2.65 38 34 A 41 ARG H A 41 ARG HGy 1.0 . 2.65 39 35 A 39 LYS H A 40 LYS H 1.0 . 4.53 40 36 A 38 CYS HA A 39 LYS H 1.0 . 2.40 41 37 A 47 CYS HA A 39 LYS H 1.0 . 3.96 42 38 A 46 THR HB A 39 LYS H 1.0 . 3.98 43 39 A 38 CYS HBy A 39 LYS H 1.0 . 3.21 44 40 A 39 LYS H A 39 LYS HBx 1.0 . 2.87 45 40 A 39 LYS H A 39 LYS HBy 1.0 . 2.87 46 41 A 39 LYS H A 39 LYS HGx 1.0 . 3.37 47 41 A 39 LYS H A 39 LYS HGy 1.0 . 3.37 48 42 A 46 THR HG2% A 39 LYS H 1.0 . 4.37 49 43 A 48 VAL HGy% A 39 LYS H 1.0 . 3.20 50 44 A 23 LEU H A 25 ILE H 1.0 . 4.90 51 45 A 23 LEU H A 27 SER H 1.0 . 4.81 52 46 A 66 LYS H A 66 LYS HGy 1.0 . 3.31 53 46 A 66 LYS H A 66 LYS HGx 1.0 . 3.31 54 47 A 66 LYS H A 65 ILE HG1x 1.0 . 4.36 55 47 A 66 LYS H A 65 ILE HG1y 1.0 . 4.36 56 48 A 25 ILE HD1% A 38 CYS H 1.0 . 4.50 57 49 A 38 CYS H A 37 SER HA 1.0 . 2.47 58 50 A 23 LEU H A 23 LEU HA 1.0 . 2.92 59 51 A 3 ILE HA A 4 ASP H 1.0 . 2.50 60 52 A 66 LYS H A 65 ILE HA 1.0 . 2.81 61 53 A 23 LEU H A 22 GLY HAy 1.0 . 2.92 62 53 A 23 LEU H A 22 GLY HAx 1.0 . 2.92 63 54 A 23 LEU H A 24 CYS HBx 1.0 . 4.10 64 54 A 23 LEU H A 24 CYS HBy 1.0 . 4.10 65 55 A 4 ASP H A 4 ASP HBy 1.0 . 2.84 66 55 A 4 ASP H A 4 ASP HBx 1.0 . 2.84 67 56 A 23 LEU H A 23 LEU HBx 1.0 . 2.71 68 56 A 23 LEU H A 23 LEU HBy 1.0 . 2.71 69 57 A 66 LYS H A 66 LYS HBy 1.0 . 3.02 70 57 A 66 LYS H A 66 LYS HBx 1.0 . 3.02 71 58 A 23 LEU H A 23 LEU HDx% 1.0 . 2.87 72 58 A 23 LEU H A 23 LEU HDy% 1.0 . 2.87 73 59 A 38 CYS H A 39 LYS HGx 1.0 . 4.19 74 59 A 39 LYS HGy A 38 CYS H 1.0 . 4.19 75 60 A 66 LYS H A 65 ILE HG2% 1.0 . 3.22 76 61 A 4 ASP H A 3 ILE HG2% 1.0 . 2.76 77 62 A 4 ASP H A 3 ILE HB 1.0 . 3.55 78 63 A 66 LYS H A 67 ARG H 1.0 . 3.24 79 64 A 67 ARG H A 66 LYS HA 1.0 . 3.12 80 65 A 9 ALA H A 10 ARG HDx 1.0 . 4.66 81 65 A 9 ALA H A 10 ARG HDy 1.0 . 4.66 82 66 A 67 ARG H A 66 LYS HEx 1.0 . 4.61 83 66 A 67 ARG H A 66 LYS HEy 1.0 . 4.61 84 67 A 67 ARG H A 67 ARG HBy 1.0 . 3.02 85 67 A 67 ARG H A 67 ARG HBx 1.0 . 3.02 86 68 A 65 ILE HG2% A 67 ARG H 1.0 . 3.86 87 69 A 9 ALA H A 10 ARG H 1.0 . 2.97 88 70 A 65 ILE HA A 67 ARG H 1.0 . 4.53 89 71 A 9 ALA H A 10 ARG HGy 1.0 . 3.64 90 71 A 9 ALA H A 10 ARG HGx 1.0 . 3.64 91 72 A 9 ALA H A 9 ALA HB% 1.0 . 2.40 92 73 A 67 ARG H A 65 ILE HG1x 1.0 . 5.20 93 73 A 65 ILE HG1y A 67 ARG H 1.0 . 5.20 94 74 A 37 SER H A 49 CYS H 1.0 . 4.71 95 75 A 48 VAL H A 49 CYS H 1.0 . 4.52 96 76 A 49 CYS H A 59 ILE H 1.0 . 3.29 97 77 A 20 ALA H A 20 ALA HA 1.0 . 2.92 98 78 A 48 VAL HA A 49 CYS H 1.0 . 2.40 99 79 A 49 CYS H A 49 CYS HBx 1.0 . 3.51 100 80 A 49 CYS H A 49 CYS HBy 1.0 . 2.99 101 81 A 3 ILE HB A 3 ILE H 1.0 . 2.91 102 82 A 20 ALA H A 20 ALA HB% 1.0 . 2.54 103 83 A 48 VAL HGx% A 49 CYS H 1.0 . 2.79 104 84 A 41 ARG H A 46 THR H 1.0 . 3.78 105 85 A 40 LYS HA A 46 THR H 1.0 . 3.21 106 86 A 46 THR HB A 46 THR H 1.0 . 2.85 107 87 A 38 CYS HBy A 46 THR H 1.0 . 4.71 108 88 A 46 THR H A 41 ARG HGx 1.0 . 3.81 109 88 A 41 ARG HGy A 46 THR H 1.0 . 3.81 110 89 A 3 ILE H A 3 ILE HG1y 1.0 . 3.72 111 90 A 3 ILE H A 3 ILE HG1x 1.0 . 3.72 112 91 A 46 THR HG2% A 46 THR H 1.0 . 3.90 113 92 A 3 ILE HG2% A 5 PHE H 1.0 . 4.58 114 93 A 5 PHE H A 4 ASP HA 1.0 . 3.23 115 94 A 5 PHE H A 5 PHE HBy 1.0 . 2.87 116 94 A 5 PHE H A 5 PHE HBx 1.0 . 2.87 117 95 A 5 PHE H A 4 ASP HBy 1.0 . 3.23 118 95 A 4 ASP HBx A 5 PHE H 1.0 . 3.23 119 96 A 63 ALA H A 65 ILE HG1x 1.0 . 4.53 120 96 A 63 ALA H A 65 ILE HG1y 1.0 . 4.53 121 97 A 62 GLY H A 63 ALA H 1.0 . 3.10 122 98 A 63 ALA H A 59 ILE HA 1.0 . 4.84 123 99 A 63 ALA H A 62 GLY HAy 1.0 . 2.93 124 99 A 63 ALA H A 62 GLY HAx 1.0 . 2.93 125 100 A 63 ALA H A 63 ALA HB% 1.0 . 2.50 126 101 A 63 ALA H A 59 ILE HG2% 1.0 . 4.01 127 102 A 28 CYS H A 30 MET H 1.0 . 4.29 128 103 A 30 MET H A 30 MET HGx 1.0 . 2.77 129 103 A 30 MET H A 30 MET HGy 1.0 . 2.77 130 104 A 59 ILE H A 58 ASP HA 1.0 . 2.68 131 105 A 30 MET H A 29 SER HBy 1.0 . 2.95 132 105 A 30 MET H A 29 SER HBx 1.0 . 2.95 133 106 A 59 ILE H A 58 ASP HBy 1.0 . 4.41 134 107 A 59 ILE H A 58 ASP HBx 1.0 . 4.41 135 108 A 30 MET H A 30 MET HBx 1.0 . 2.70 136 108 A 30 MET H A 30 MET HBy 1.0 . 2.70 137 109 A 59 ILE H A 59 ILE HB 1.0 . 2.94 138 110 A 30 MET H A 26 THR HG2% 1.0 . 4.54 139 111 A 48 VAL HGx% A 59 ILE H 1.0 . 3.34 140 112 A 27 SER H A 28 CYS H 1.0 . 2.85 141 113 A 25 ILE H A 24 CYS H 1.0 . 2.88 142 114 A 57 GLY H A 58 ASP H 1.0 . 4.70 143 115 A 28 CYS H A 31 GLN H 1.0 . 5.32 144 116 A 28 CYS H A 28 CYS HA 1.0 . 2.88 145 117 A 58 ASP H A 57 GLY HAx 1.0 . 2.78 146 118 A 58 ASP H A 57 GLY HAy 1.0 . 3.16 147 119 A 28 CYS H A 25 ILE HA 1.0 . 3.97 148 120 A 58 ASP H A 58 ASP HBy 1.0 . 3.69 149 121 A 25 ILE H A 24 CYS HBx 1.0 . 3.08 150 121 A 25 ILE H A 24 CYS HBy 1.0 . 3.08 151 122 A 28 CYS H A 28 CYS HBx 1.0 . 2.54 152 122 A 28 CYS H A 28 CYS HBy 1.0 . 2.54 153 123 A 58 ASP H A 58 ASP HBx 1.0 . 3.69 154 124 A 25 ILE H A 25 ILE HB 1.0 . 2.52 155 125 A 28 CYS H A 26 THR HG2% 1.0 . 4.52 156 126 A 25 ILE H A 25 ILE HD1% 1.0 . 2.59 157 127 A 48 VAL HGx% A 58 ASP H 1.0 . 4.58 158 128 A 41 ARG H A 40 LYS H 1.0 . 4.49 159 129 A 40 LYS H A 39 LYS HA 1.0 . 2.55 160 130 A 24 CYS H A 26 THR HB 1.0 . 4.17 161 131 A 24 CYS H A 22 GLY HAy 1.0 . 3.67 162 131 A 22 GLY HAx A 24 CYS H 1.0 . 3.67 163 132 A 40 LYS H A 40 LYS HBx 1.0 . 2.44 164 132 A 40 LYS H A 40 LYS HBy 1.0 . 2.44 165 133 A 40 LYS H A 40 LYS HGx 1.0 . 3.34 166 133 A 40 LYS H A 40 LYS HGy 1.0 . 3.34 167 134 A 44 ARG H A 43 GLY H 1.0 . 2.88 168 135 A 44 ARG H A 43 GLY HAx 1.0 . 3.49 169 136 A 44 ARG H A 43 GLY HAy 1.0 . 3.21 170 137 A 24 CYS H A 24 CYS HBx 1.0 . 3.01 171 137 A 24 CYS HBy A 24 CYS H 1.0 . 3.01 172 138 A 24 CYS H A 23 LEU HBx 1.0 . 3.57 173 138 A 23 LEU HBy A 24 CYS H 1.0 . 3.57 174 139 A 44 ARG H A 44 ARG HBx 1.0 . 2.55 175 139 A 44 ARG H A 44 ARG HBy 1.0 . 2.55 176 140 A 24 CYS H A 23 LEU HDx% 1.0 . 4.27 177 140 A 23 LEU HDy% A 24 CYS H 1.0 . 4.27 178 141 A 24 CYS H A 23 LEU HG 1.0 . 4.98 179 142 A 44 ARG H A 40 LYS HGx 1.0 . 5.09 180 142 A 44 ARG H A 40 LYS HGy 1.0 . 5.09 181 143 A 25 ILE HD1% A 24 CYS H 1.0 . 4.09 182 144 A 27 SER H A 24 CYS H 1.0 . 3.88 183 145 A 27 SER H A 25 ILE HA 1.0 . 4.77 184 146 A 27 SER H A 25 ILE HB 1.0 . 5.13 185 147 A 52 CYS H A 51 ARG H 1.0 . 2.90 186 148 A 62 GLY H A 64 LEU H 1.0 . 4.18 187 149 A 28 CYS H A 29 SER H 1.0 . 2.73 188 150 A 30 MET H A 29 SER H 1.0 . 2.89 189 151 A 52 CYS H A 50 TYR HA 1.0 . 3.71 190 152 A 27 SER H A 24 CYS HA 1.0 . 4.12 191 153 A 59 ILE HA A 64 LEU H 1.0 . 5.50 192 154 A 27 SER H A 26 THR HB 1.0 . 3.03 193 155 A 29 SER H A 29 SER HBy 1.0 . 2.40 194 155 A 29 SER HBx A 29 SER H 1.0 . 2.40 195 156 A 52 CYS H A 51 ARG HA 1.0 . 3.01 196 157 A 27 SER H A 27 SER HBy 1.0 . 2.70 197 157 A 27 SER H A 27 SER HBx 1.0 . 2.70 198 158 A 52 CYS H A 52 CYS HBx 1.0 . 3.09 199 159 A 52 CYS H A 52 CYS HBy 1.0 . 2.59 200 160 A 29 SER H A 28 CYS HBx 1.0 . 2.78 201 160 A 28 CYS HBy A 29 SER H 1.0 . 2.78 202 161 A 27 SER H A 28 CYS HBx 1.0 . 4.58 203 161 A 27 SER H A 28 CYS HBy 1.0 . 4.58 204 162 A 52 CYS H A 51 ARG HBx 1.0 . 3.82 205 162 A 52 CYS H A 51 ARG HBy 1.0 . 3.82 206 163 A 64 LEU H A 64 LEU HBx 1.0 . 2.97 207 163 A 64 LEU H A 64 LEU HBy 1.0 . 2.97 208 164 A 26 THR HG2% A 29 SER H 1.0 . 4.46 209 165 A 27 SER H A 26 THR HG2% 1.0 . 3.08 210 166 A 64 LEU H A 65 ILE HG1x 1.0 . 3.99 211 166 A 65 ILE HG1y A 64 LEU H 1.0 . 3.99 212 167 A 29 SER H A 30 MET HBx 1.0 . 5.04 213 167 A 30 MET HBy A 29 SER H 1.0 . 5.04 214 168 A 35 THR H A 50 TYR H 1.0 . 3.78 215 169 A 50 TYR H A 49 CYS HA 1.0 . 2.53 216 170 A 50 TYR H A 36 GLY HAx 1.0 . 3.60 217 171 A 49 CYS HBx A 50 TYR H 1.0 . 3.32 218 172 A 50 TYR H A 50 TYR HBy 1.0 . 3.45 219 173 A 50 TYR H A 51 ARG HBx 1.0 . 4.42 220 173 A 51 ARG HBy A 50 TYR H 1.0 . 4.42 221 174 A 50 TYR H A 35 THR HG2% 1.0 . 3.35 222 175 A 48 VAL HGx% A 50 TYR H 1.0 . 5.17 223 176 A 66 LYS H A 65 ILE H 1.0 . 4.59 224 177 A 65 ILE H A 64 LEU HA 1.0 . 3.48 225 178 A 65 ILE H A 65 ILE HB 1.0 . 3.08 226 179 A 59 ILE HB A 50 TYR H 1.0 . 5.47 227 180 A 65 ILE H A 65 ILE HG1x 1.0 . 3.42 228 180 A 65 ILE HG1y A 65 ILE H 1.0 . 3.42 229 181 A 12 ASP H A 13 VAL HGx% 1.0 . 3.32 230 181 A 12 ASP H A 13 VAL HGy% 1.0 . 3.32 231 182 A 65 ILE HG2% A 65 ILE H 1.0 . 3.84 232 183 A 63 ALA H A 65 ILE H 1.0 . 4.21 233 184 A 26 THR HB A 26 THR H 1.0 . 2.43 234 185 A 26 THR H A 24 CYS HBx 1.0 . 4.58 235 185 A 24 CYS HBy A 26 THR H 1.0 . 4.58 236 186 A 25 ILE HB A 26 THR H 1.0 . 2.66 237 187 A 24 CYS H A 26 THR H 1.0 . 3.84 238 188 A 21 GLN H A 22 GLY H 1.0 . 2.90 239 189 A 21 GLN H A 24 CYS HBx 1.0 . 5.49 240 189 A 24 CYS HBy A 21 GLN H 1.0 . 5.49 241 190 A 51 ARG H A 52 CYS HBy 1.0 . 4.84 242 191 A 20 ALA HB% A 7 THR H 1.0 . 4.81 243 192 A 51 ARG H A 50 TYR H 1.0 . 4.53 244 193 A 51 ARG H A 35 THR H 1.0 . 4.71 245 194 A 51 ARG H A 50 TYR HA 1.0 . 3.06 246 195 A 51 ARG H A 51 ARG HA 1.0 . 2.49 247 196 A 51 ARG H A 50 TYR HBy 1.0 . 3.53 248 197 A 51 ARG H A 50 TYR HBx 1.0 . 2.99 249 198 A 51 ARG H A 51 ARG HBx 1.0 . 3.36 250 198 A 51 ARG H A 51 ARG HBy 1.0 . 3.36 251 199 A 51 ARG H A 51 ARG HGx 1.0 . 3.10 252 199 A 51 ARG H A 51 ARG HGy 1.0 . 3.10 253 200 A 20 ALA HB% A 21 GLN H 1.0 . 2.71 254 201 A 51 ARG H A 35 THR HG2% 1.0 . 3.72 255 202 A 31 GLN H A 29 SER H 1.0 . 4.20 256 203 A 31 GLN H A 32 ASN H 1.0 . 2.64 257 204 A 30 MET H A 31 GLN H 1.0 . 2.72 258 205 A 31 GLN H A 28 CYS HA 1.0 . 3.63 259 206 A 68 GLY H A 67 ARG HDx 1.0 . 4.39 260 206 A 67 ARG HDy A 68 GLY H 1.0 . 4.39 261 207 A 31 GLN H A 30 MET HGx 1.0 . 4.28 262 207 A 30 MET HGy A 31 GLN H 1.0 . 4.28 263 208 A 31 GLN H A 31 GLN HGx 1.0 . 2.54 264 208 A 31 GLN H A 31 GLN HGy 1.0 . 2.54 265 209 A 65 ILE HG2% A 68 GLY H 1.0 . 3.74 266 210 A 67 ARG H A 68 GLY H 1.0 . 2.91 267 211 A 7 THR H A 6 SER H 1.0 . 4.39 268 212 A 6 SER H A 6 SER HBy 1.0 . 3.36 269 212 A 6 SER H A 6 SER HBx 1.0 . 3.36 270 213 A 68 GLY H A 68 GLY HAx 1.0 . 2.42 271 213 A 68 GLY H A 68 GLY HAy 1.0 . 2.42 272 214 A 6 SER H A 5 PHE HBy 1.0 . 3.84 273 214 A 5 PHE HBx A 6 SER H 1.0 . 3.84 274 215 A 68 GLY H A 67 ARG HBy 1.0 . 3.10 275 215 A 67 ARG HBx A 68 GLY H 1.0 . 3.10 276 216 A 6 SER H A 7 THR HG2% 1.0 . 4.50 277 217 A 54 ASN H A 55 GLY H 1.0 . 3.06 278 218 A 54 ASN H A 56 GLY H 1.0 . 4.02 279 219 A 31 GLN H A 33 CYS H 1.0 . 3.48 280 220 A 33 CYS H A 29 SER HA 1.0 . 3.30 281 221 A 33 CYS H A 32 ASN HA 1.0 . 3.13 282 222 A 54 ASN H A 52 CYS HBx 1.0 . 3.53 283 223 A 33 CYS H A 33 CYS HBy 1.0 . 2.97 284 224 A 54 ASN H A 54 ASN HBx 1.0 . 2.83 285 224 A 54 ASN H A 54 ASN HBy 1.0 . 2.83 286 225 A 33 CYS H A 31 GLN HBy 1.0 . 3.87 287 226 A 54 ASN H A 53 ALA HB% 1.0 . 3.22 288 227 A 53 ALA HB% A 33 CYS H 1.0 . 5.27 289 228 A 10 ARG HA A 11 MET H 1.0 . 3.41 290 229 A 10 ARG H A 11 MET H 1.0 . 2.79 291 230 A 10 ARG H A 10 ARG HGy 1.0 . 2.57 292 230 A 10 ARG H A 10 ARG HGx 1.0 . 2.57 293 231 A 10 ARG H A 9 ALA HB% 1.0 . 3.24 294 232 A 37 SER H A 50 TYR H 1.0 . 4.34 295 233 A 10 ARG H A 8 CYS H 1.0 . 4.90 296 234 A 37 SER H A 36 GLY H 1.0 . 4.18 297 235 A 9 ALA H A 8 CYS H 1.0 . 4.69 298 236 A 10 ARG H A 10 ARG HDx 1.0 . 3.51 299 236 A 10 ARG HDy A 10 ARG H 1.0 . 3.51 300 237 A 10 ARG H A 10 ARG HBy 1.0 . 2.97 301 237 A 10 ARG H A 10 ARG HBx 1.0 . 2.97 302 238 A 7 THR HG2% A 8 CYS H 1.0 . 4.37 303 239 A 37 SER H A 36 GLY HAy 1.0 . 2.71 304 240 A 37 SER H A 36 GLY HAx 1.0 . 3.30 305 241 A 37 SER H A 37 SER HBx 1.0 . 2.87 306 241 A 37 SER H A 37 SER HBy 1.0 . 2.87 307 242 A 37 SER H A 50 TYR HBy 1.0 . 4.34 308 243 A 48 VAL HB A 37 SER H 1.0 . 3.56 309 244 A 48 VAL HGx% A 37 SER H 1.0 . 4.41 310 245 A 33 CYS HA A 32 ASN H 1.0 . 5.36 311 246 A 32 ASN H A 32 ASN HA 1.0 . 2.40 312 247 A 32 ASN H A 31 GLN HBy 1.0 . 4.02 313 248 A 35 THR H A 34 GLY H 1.0 . 2.52 314 249 A 35 THR H A 35 THR HB 1.0 . 3.21 315 250 A 35 THR H A 34 GLY HAy 1.0 . 2.83 316 250 A 35 THR H A 34 GLY HAx 1.0 . 2.83 317 251 A 35 THR H A 33 CYS HBx 1.0 . 3.54 318 252 A 35 THR H A 51 ARG HBx 1.0 . 2.87 319 252 A 51 ARG HBy A 35 THR H 1.0 . 2.87 320 253 A 52 CYS H A 35 THR H 1.0 . 4.68 321 254 A 35 THR H A 51 ARG HGx 1.0 . 3.87 322 254 A 35 THR H A 51 ARG HGy 1.0 . 3.87 323 255 A 35 THR H A 35 THR HG2% 1.0 . 2.56 324 256 A 51 ARG H A 34 GLY H 1.0 . 5.42 325 257 A 52 CYS H A 34 GLY H 1.0 . 3.94 326 258 A 33 CYS HA A 34 GLY H 1.0 . 2.79 327 259 A 52 CYS HA A 34 GLY H 1.0 . 3.10 328 260 A 34 GLY H A 35 THR HA 1.0 . 4.96 329 261 A 34 GLY H A 35 THR HB 1.0 . 5.50 330 262 A 34 GLY H A 34 GLY HAy 1.0 . 2.61 331 262 A 34 GLY H A 34 GLY HAx 1.0 . 2.61 332 263 A 33 CYS HBy A 34 GLY H 1.0 . 3.40 333 264 A 34 GLY H A 33 CYS HBx 1.0 . 3.33 334 265 A 34 GLY H A 28 CYS HBx 1.0 . 4.02 335 265 A 28 CYS HBy A 34 GLY H 1.0 . 4.02 336 266 A 34 GLY H A 51 ARG HBx 1.0 . 3.23 337 266 A 51 ARG HBy A 34 GLY H 1.0 . 3.23 338 267 A 35 THR HG2% A 34 GLY H 1.0 . 4.35 339 268 A 56 GLY H A 56 GLY HAy 1.0 . 2.59 340 269 A 52 CYS HBx A 56 GLY H 1.0 . 4.06 341 270 A 53 ALA HB% A 56 GLY H 1.0 . 4.98 342 271 A 50 TYR H A 36 GLY H 1.0 . 4.46 343 272 A 35 THR H A 36 GLY H 1.0 . 4.42 344 273 A 36 GLY H A 37 SER HBx 1.0 . 4.78 345 273 A 36 GLY H A 37 SER HBy 1.0 . 4.78 346 274 A 36 GLY H A 35 THR HA 1.0 . 2.73 347 275 A 25 ILE HA A 36 GLY H 1.0 . 3.17 348 276 A 57 GLY H A 51 ARG H 1.0 . 3.83 349 277 A 52 CYS H A 57 GLY H 1.0 . 3.76 350 278 A 55 GLY H A 56 GLY H 1.0 . 2.60 351 279 A 54 ASN HA A 55 GLY H 1.0 . 3.38 352 280 A 55 GLY H A 54 ASN HBx 1.0 . 3.70 353 280 A 55 GLY H A 54 ASN HBy 1.0 . 3.70 354 281 A 57 GLY H A 56 GLY HAy 1.0 . 2.55 355 282 A 55 GLY H A 55 GLY HAy 1.0 . 2.85 356 283 A 52 CYS HBx A 55 GLY H 1.0 . 4.24 357 284 A 52 CYS HBx A 57 GLY H 1.0 . 4.54 358 285 A 57 GLY H A 52 CYS HBy 1.0 . 4.18 359 286 A 55 GLY H A 53 ALA HB% 1.0 . 4.42 360 287 A 22 GLY H A 22 GLY HAy 1.0 . 2.44 361 287 A 22 GLY HAx A 22 GLY H 1.0 . 2.44 362 288 A 22 GLY H A 24 CYS HBx 1.0 . 5.32 363 288 A 24 CYS HBy A 22 GLY H 1.0 . 5.32 364 289 A 20 ALA HB% A 22 GLY H 1.0 . 4.32 365 290 A 62 GLY H A 64 LEU HBx 1.0 . 5.32 366 290 A 62 GLY H A 64 LEU HBy 1.0 . 5.32 367 291 A 41 ARG H A 43 GLY H 1.0 . 4.16 368 292 A 43 GLY H A 41 ARG HA 1.0 . 4.03 369 293 A 43 GLY H A 43 GLY HAx 1.0 . 2.92 370 294 A 43 GLY H A 43 GLY HAy 1.0 . 2.54 371 295 A 43 GLY H A 40 LYS HBx 1.0 . 3.44 372 295 A 40 LYS HBy A 43 GLY H 1.0 . 3.44 373 296 A 43 GLY H A 40 LYS HDx 1.0 . 3.39 374 296 A 43 GLY H A 40 LYS HDy 1.0 . 3.39 375 297 A 43 GLY H A 40 LYS HGx 1.0 . 4.97 376 297 A 40 LYS HGy A 43 GLY H 1.0 . 4.97 377 298 A 1 MET HA A 1 MET HGx 1.0 . 3.00 378 298 A 1 MET HA A 1 MET HGy 1.0 . 3.00 379 299 A 46 THR HB A 41 ARG HBx 1.0 . 3.35 380 299 A 46 THR HB A 41 ARG HBy 1.0 . 3.35 381 300 A 46 THR HB A 41 ARG HGy 1.0 . 3.51 382 301 A 48 VAL HGy% A 46 THR HB 1.0 . 3.77 383 302 A 46 THR HB A 41 ARG HGx 1.0 . 3.51 384 303 A 47 CYS HBx A 7 THR HB 1.0 . 4.39 385 304 A 47 CYS HBy A 7 THR HB 1.0 . 3.92 386 305 A 35 THR HB A 51 ARG HGx 1.0 . 4.72 387 305 A 51 ARG HGy A 35 THR HB 1.0 . 4.72 388 306 A 51 ARG HBy A 35 THR HB 1.0 . 4.39 389 307 A 50 TYR HE% A 37 SER HBx 1.0 . 2.89 390 307 A 37 SER HBy A 50 TYR HE% 1.0 . 2.89 391 308 A 50 TYR HD% A 37 SER HBx 1.0 . 3.77 392 308 A 37 SER HBy A 50 TYR HD% 1.0 . 3.77 393 309 A 37 SER HA A 37 SER HBx 1.0 . 2.63 394 309 A 37 SER HA A 37 SER HBy 1.0 . 2.63 395 310 A 48 VAL HB A 37 SER HBx 1.0 . 4.05 396 310 A 48 VAL HB A 37 SER HBy 1.0 . 4.05 397 311 A 37 SER HBy A 39 LYS HGx 1.0 . 3.60 398 311 A 39 LYS HGy A 37 SER HBx 1.0 . 3.60 399 311 A 39 LYS HGy A 37 SER HBy 1.0 . 3.60 400 311 A 37 SER HBx A 39 LYS HGx 1.0 . 3.60 401 312 A 29 SER HA A 26 THR HA 1.0 . 5.50 402 313 A 25 ILE HB A 26 THR HA 1.0 . 4.73 403 314 A 26 THR HG2% A 26 THR HA 1.0 . 2.74 404 315 A 26 THR HA A 25 ILE HG2% 1.0 . 3.39 405 316 A 14 PRO HA A 17 LYS HEx 1.0 . 4.15 406 317 A 14 PRO HA A 17 LYS HDx 1.0 . 4.41 407 317 A 14 PRO HA A 17 LYS HDy 1.0 . 4.41 408 318 A 14 PRO HA A 17 LYS HGx 1.0 . 3.93 409 318 A 14 PRO HA A 17 LYS HGy 1.0 . 3.93 410 319 A 25 ILE HA A 36 GLY HAy 1.0 . 4.72 411 320 A 25 ILE HA A 36 GLY HAx 1.0 . 3.68 412 321 A 25 ILE HA A 26 THR HA 1.0 . 4.76 413 322 A 25 ILE HA A 28 CYS HBy 1.0 . 3.43 414 323 A 25 ILE HA A 25 ILE HG2% 1.0 . 2.77 415 324 A 25 ILE HA A 25 ILE HG1x 1.0 . 3.08 416 325 A 6 SER HA A 7 THR HA 1.0 . 5.05 417 326 A 47 CYS HBy A 7 THR HA 1.0 . 5.50 418 327 A 20 ALA HB% A 7 THR HA 1.0 . 4.39 419 328 A 7 THR HG2% A 7 THR HA 1.0 . 2.99 420 329 A 44 ARG HA A 45 PRO HA 1.0 . 4.67 421 330 A 40 LYS HA A 45 PRO HA 1.0 . 3.06 422 331 A 45 PRO HA A 40 LYS HDx 1.0 . 3.08 423 332 A 45 PRO HA A 40 LYS HGx 1.0 . 3.52 424 332 A 40 LYS HGy A 45 PRO HA 1.0 . 3.52 425 333 A 27 SER HA A 30 MET HGx 1.0 . 3.44 426 333 A 30 MET HGy A 27 SER HA 1.0 . 3.44 427 334 A 27 SER HA A 30 MET HBx 1.0 . 5.15 428 335 A 30 MET HBy A 27 SER HA 1.0 . 4.11 429 336 A 26 THR HG2% A 27 SER HA 1.0 . 3.94 430 337 A 24 CYS HBy A 27 SER HBx 1.0 . 5.50 431 338 A 30 MET HGy A 27 SER HBx 1.0 . 5.50 432 338 A 27 SER HBx A 30 MET HGx 1.0 . 5.50 433 339 A 26 THR HG2% A 27 SER HBx 1.0 . 5.03 434 340 A 24 CYS HA A 27 SER HBy 1.0 . 4.07 435 341 A 30 MET HGy A 27 SER HBy 1.0 . 5.15 436 341 A 27 SER HBy A 30 MET HGx 1.0 . 5.15 437 342 A 23 LEU HBx A 27 SER HBy 1.0 . 5.13 438 343 A 26 THR HG2% A 27 SER HBy 1.0 . 3.84 439 344 A 23 LEU HA A 27 SER HBy 1.0 . 3.35 440 345 A 5 PHE HD% A 6 SER HBy 1.0 . 5.45 441 346 A 6 SER HBx A 5 PHE HD% 1.0 . 5.45 442 347 A 46 THR HA A 47 CYS HBy 1.0 . 4.61 443 348 A 46 THR HG2% A 46 THR HA 1.0 . 2.67 444 349 A 48 VAL HGy% A 46 THR HA 1.0 . 4.95 445 350 A 65 ILE HA A 66 LYS HA 1.0 . 4.50 446 351 A 65 ILE HG1y A 65 ILE HA 1.0 . 3.39 447 352 A 65 ILE HA A 65 ILE HG1x 1.0 . 3.31 448 353 A 65 ILE HA A 65 ILE HG2% 1.0 . 2.81 449 354 A 3 ILE HA A 3 ILE HG2% 1.0 . 2.73 450 355 A 48 VAL HGy% A 48 VAL HA 1.0 . 3.06 451 356 A 3 ILE HA A 3 ILE HG1y 1.0 . 3.61 452 357 A 3 ILE HA A 3 ILE HG1x 1.0 . 3.61 453 358 A 29 SER HA A 32 ASN HA 1.0 . 4.62 454 359 A 36 GLY HAy A 35 THR HA 1.0 . 4.65 455 360 A 35 THR HB A 35 THR HA 1.0 . 2.62 456 361 A 36 GLY HAx A 35 THR HA 1.0 . 4.48 457 362 A 35 THR HA A 34 GLY HAy 1.0 . 4.61 458 363 A 25 ILE HA A 35 THR HA 1.0 . 3.74 459 364 A 28 CYS HBy A 35 THR HA 1.0 . 4.40 460 365 A 51 ARG HBy A 35 THR HA 1.0 . 4.56 461 366 A 35 THR HA A 25 ILE HG2% 1.0 . 3.39 462 367 A 35 THR HG2% A 35 THR HA 1.0 . 3.69 463 368 A 35 THR HA A 25 ILE HG1x 1.0 . 4.18 464 369 A 14 PRO HA A 17 LYS HA 1.0 . 5.09 465 370 A 17 LYS HA A 17 LYS HBx 1.0 . 2.89 466 370 A 17 LYS HA A 17 LYS HBy 1.0 . 2.89 467 371 A 17 LYS HA A 17 LYS HGx 1.0 . 2.98 468 371 A 17 LYS HGy A 17 LYS HA 1.0 . 2.98 469 372 A 17 LYS HA A 17 LYS HDx 1.0 . 4.02 470 372 A 17 LYS HDy A 17 LYS HA 1.0 . 4.02 471 373 A 8 CYS HA A 21 GLN HA 1.0 . 4.56 472 374 A 21 GLN HA A 24 CYS HBx 1.0 . 4.28 473 375 A 24 CYS HBy A 21 GLN HA 1.0 . 3.28 474 376 A 21 GLN HA A 21 GLN HGy 1.0 . 3.54 475 377 A 21 GLN HA A 21 GLN HGx 1.0 . 3.54 476 378 A 21 GLN HA A 21 GLN HBx 1.0 . 2.59 477 378 A 21 GLN HA A 21 GLN HBy 1.0 . 2.59 478 379 A 18 LYS HA A 18 LYS HBx 1.0 . 2.60 479 379 A 18 LYS HA A 18 LYS HBy 1.0 . 2.60 480 380 A 20 ALA HB% A 21 GLN HA 1.0 . 3.74 481 381 A 11 MET HA A 40 LYS HEx 1.0 . 5.31 482 381 A 11 MET HA A 40 LYS HEy 1.0 . 5.31 483 382 A 5 PHE HD% A 5 PHE HA 1.0 . 3.23 484 383 A 28 CYS HA A 33 CYS HBy 1.0 . 4.17 485 384 A 28 CYS HA A 33 CYS HBx 1.0 . 4.60 486 385 A 28 CYS HA A 31 GLN HBy 1.0 . 3.97 487 386 A 41 ARG HA A 42 SER HA 1.0 . 4.50 488 387 A 24 CYS HA A 27 SER HBx 1.0 . 3.11 489 388 A 37 SER HA A 39 LYS HGx 1.0 . 5.50 490 388 A 39 LYS HGy A 37 SER HA 1.0 . 5.50 491 389 A 37 SER HA A 25 ILE HG1x 1.0 . 4.95 492 390 A 25 ILE HD1% A 37 SER HA 1.0 . 4.40 493 391 A 30 MET HA A 30 MET HGx 1.0 . 2.60 494 391 A 30 MET HGy A 30 MET HA 1.0 . 2.60 495 392 A 50 TYR HA A 50 TYR HD% 1.0 . 3.56 496 393 A 50 TYR HA A 50 TYR HE% 1.0 . 4.74 497 394 A 51 ARG HA A 51 ARG HBx 1.0 . 2.78 498 395 A 51 ARG HA A 51 ARG HGx 1.0 . 2.85 499 395 A 51 ARG HA A 51 ARG HGy 1.0 . 2.85 500 396 A 57 GLY HAy A 50 TYR HA 1.0 . 3.19 501 397 A 50 TYR HA A 51 ARG HGx 1.0 . 5.01 502 397 A 50 TYR HA A 51 ARG HGy 1.0 . 5.01 503 398 A 50 TYR HA A 35 THR HG2% 1.0 . 4.24 504 399 A 48 VAL HGx% A 50 TYR HA 1.0 . 4.84 505 400 A 33 CYS HA A 52 CYS HA 1.0 . 2.65 506 401 A 52 CYS HA A 53 ALA HA 1.0 . 4.62 507 402 A 52 CYS HA A 34 GLY HAy 1.0 . 5.13 508 403 A 52 CYS HA A 51 ARG HBy 1.0 . 5.21 509 404 A 52 CYS HA A 53 ALA HB% 1.0 . 4.35 510 405 A 52 CYS HA A 59 ILE HG1x 1.0 . 4.83 511 406 A 52 CYS HA A 33 CYS HBx 1.0 . 3.99 512 407 A 65 ILE HG2% A 66 LYS HA 1.0 . 3.95 513 408 A 33 CYS HA A 32 ASN HA 1.0 . 4.78 514 409 A 33 CYS HA A 53 ALA HA 1.0 . 5.13 515 410 A 33 CYS HA A 34 GLY HAy 1.0 . 4.59 516 411 A 33 CYS HA A 34 GLY HAx 1.0 . 4.91 517 412 A 33 CYS HA A 28 CYS HBx 1.0 . 4.98 518 413 A 33 CYS HA A 31 GLN HBy 1.0 . 5.05 519 414 A 33 CYS HA A 53 ALA HB% 1.0 . 4.65 520 415 A 67 ARG HA A 68 GLY HAx 1.0 . 4.46 521 415 A 68 GLY HAy A 67 ARG HA 1.0 . 4.46 522 416 A 67 ARG HA A 67 ARG HDx 1.0 . 3.60 523 416 A 67 ARG HDy A 67 ARG HA 1.0 . 3.60 524 417 A 65 ILE HG2% A 67 ARG HA 1.0 . 4.65 525 418 A 24 CYS HBy A 8 CYS HA 1.0 . 5.31 526 419 A 20 ALA HB% A 8 CYS HA 1.0 . 3.52 527 420 A 10 ARG HA A 9 ALA HA 1.0 . 4.95 528 421 A 47 CYS HA A 48 VAL HA 1.0 . 4.47 529 422 A 47 CYS HA A 7 THR HB 1.0 . 4.95 530 423 A 47 CYS HA A 38 CYS HBx 1.0 . 4.26 531 424 A 47 CYS HA A 48 VAL HGy% 1.0 . 4.00 532 425 A 47 CYS HA A 38 CYS HBy 1.0 . 3.99 533 426 A 10 ARG HDy A 10 ARG HA 1.0 . 3.43 534 427 A 9 ALA HB% A 10 ARG HA 1.0 . 4.17 535 428 A 46 THR HB A 40 LYS HA 1.0 . 4.62 536 429 A 40 LYS HA A 40 LYS HDy 1.0 . 3.01 537 430 A 40 LYS HA A 40 LYS HGx 1.0 . 3.23 538 430 A 40 LYS HA A 40 LYS HGy 1.0 . 3.23 539 431 A 20 ALA HA A 7 THR HA 1.0 . 4.18 540 432 A 22 GLY HAx A 19 ALA HA 1.0 . 4.53 541 433 A 48 VAL HB A 58 ASP HA 1.0 . 5.14 542 434 A 48 VAL HGy% A 58 ASP HA 1.0 . 5.20 543 435 A 48 VAL HGx% A 58 ASP HA 1.0 . 3.00 544 436 A 53 ALA HB% A 32 ASN HA 1.0 . 5.12 545 437 A 41 ARG HDy A 41 ARG HA 1.0 . 2.94 546 438 A 41 ARG HA A 41 ARG HBx 1.0 . 2.54 547 438 A 41 ARG HBy A 41 ARG HA 1.0 . 2.54 548 439 A 39 LYS HA A 39 LYS HGx 1.0 . 2.93 549 439 A 39 LYS HGy A 39 LYS HA 1.0 . 2.93 550 440 A 31 GLN HA A 66 LYS HEx 1.0 . 4.63 551 440 A 66 LYS HEy A 31 GLN HA 1.0 . 4.63 552 441 A 54 ASN HA A 54 ASN HBx 1.0 . 2.54 553 441 A 54 ASN HA A 54 ASN HBy 1.0 . 2.54 554 442 A 31 GLN HA A 31 GLN HBx 1.0 . 2.87 555 443 A 31 GLN HA A 31 GLN HGx 1.0 . 4.22 556 444 A 54 ASN HA A 53 ALA HB% 1.0 . 4.20 557 445 A 54 ASN HA A 53 ALA HA 1.0 . 4.68 558 446 A 54 ASN HA A 55 GLY HAy 1.0 . 4.47 559 447 A 59 ILE HG2% A 63 ALA HA 1.0 . 4.46 560 448 A 63 ALA HA A 60 PRO HDy 1.0 . 5.17 561 449 A 63 ALA HA A 62 GLY HAy 1.0 . 5.50 562 450 A 63 ALA HA A 60 PRO HGy 1.0 . 4.97 563 451 A 44 ARG HA A 5 PHE HE% 1.0 . 4.79 564 452 A 44 ARG HA A 45 PRO HDx 1.0 . 2.68 565 453 A 44 ARG HA A 45 PRO HDy 1.0 . 2.81 566 454 A 44 ARG HA A 44 ARG HBx 1.0 . 2.80 567 455 A 44 ARG HA A 44 ARG HGy 1.0 . 3.06 568 456 A 44 ARG HA A 40 LYS HGx 1.0 . 5.47 569 456 A 40 LYS HGy A 44 ARG HA 1.0 . 5.47 570 457 A 44 ARG HA A 40 LYS HEx 1.0 . 4.14 571 457 A 44 ARG HA A 40 LYS HEy 1.0 . 4.14 572 458 A 38 CYS HA A 47 CYS HA 1.0 . 2.96 573 459 A 38 CYS HA A 37 SER HA 1.0 . 4.71 574 460 A 38 CYS HA A 39 LYS HA 1.0 . 5.07 575 461 A 38 CYS HA A 48 VAL HA 1.0 . 5.04 576 462 A 38 CYS HA A 37 SER HBx 1.0 . 4.38 577 462 A 38 CYS HA A 37 SER HBy 1.0 . 4.38 578 463 A 38 CYS HA A 47 CYS HBy 1.0 . 5.36 579 464 A 38 CYS HA A 39 LYS HBy 1.0 . 4.68 580 465 A 38 CYS HA A 39 LYS HGx 1.0 . 4.28 581 465 A 38 CYS HA A 39 LYS HGy 1.0 . 4.28 582 466 A 38 CYS HA A 46 THR HG2% 1.0 . 5.02 583 467 A 38 CYS HA A 48 VAL HGy% 1.0 . 4.43 584 468 A 50 TYR HA A 49 CYS HA 1.0 . 4.85 585 469 A 37 SER HA A 49 CYS HA 1.0 . 5.50 586 470 A 49 CYS HA A 36 GLY HAx 1.0 . 3.16 587 471 A 48 VAL HB A 49 CYS HA 1.0 . 4.89 588 472 A 59 ILE HB A 49 CYS HA 1.0 . 5.50 589 473 A 49 CYS HA A 35 THR HG2% 1.0 . 4.86 590 474 A 48 VAL HGx% A 49 CYS HA 1.0 . 4.53 591 475 A 49 CYS HA A 50 TYR HD% 1.0 . 3.85 592 476 A 49 CYS HA A 50 TYR HE% 1.0 . 4.70 593 477 A 40 LYS HA A 45 PRO HDx 1.0 . 5.32 594 478 A 43 GLY HAy A 45 PRO HDx 1.0 . 5.50 595 479 A 45 PRO HDx A 40 LYS HEx 1.0 . 4.05 596 479 A 40 LYS HEy A 45 PRO HDx 1.0 . 4.05 597 480 A 45 PRO HDx A 40 LYS HGx 1.0 . 4.95 598 480 A 40 LYS HGy A 45 PRO HDx 1.0 . 4.95 599 481 A 45 PRO HDx A 40 LYS HDx 1.0 . 4.81 600 482 A 45 PRO HDy A 44 ARG HDx 1.0 . 4.42 601 482 A 45 PRO HDy A 44 ARG HDy 1.0 . 4.42 602 483 A 45 PRO HDy A 40 LYS HEx 1.0 . 4.17 603 483 A 40 LYS HEy A 45 PRO HDy 1.0 . 4.17 604 484 A 45 PRO HDy A 44 ARG HBx 1.0 . 3.05 605 485 A 59 ILE HG2% A 60 PRO HDy 1.0 . 3.72 606 486 A 48 VAL HGx% A 60 PRO HDy 1.0 . 5.41 607 487 A 63 ALA HB% A 60 PRO HDx 1.0 . 4.12 608 488 A 5 PHE HD% A 45 PRO HDy 1.0 . 4.82 609 489 A 5 PHE HE% A 45 PRO HDy 1.0 . 4.96 610 490 A 5 PHE HD% A 45 PRO HDx 1.0 . 5.07 611 491 A 34 GLY HAy A 51 ARG HBx 1.0 . 4.01 612 492 A 25 ILE HB A 22 GLY HAy 1.0 . 4.28 613 493 A 21 GLN HBy A 22 GLY HAy 1.0 . 4.77 614 493 A 21 GLN HBx A 22 GLY HAy 1.0 . 4.77 615 494 A 51 ARG HBy A 34 GLY HAx 1.0 . 3.29 616 495 A 35 THR HG2% A 34 GLY HAx 1.0 . 4.32 617 496 A 62 GLY HAy A 65 ILE HG1x 1.0 . 4.07 618 497 A 62 GLY HAx A 65 ILE HG1x 1.0 . 4.21 619 498 A 52 CYS HA A 33 CYS HBy 1.0 . 4.07 620 499 A 29 SER HA A 33 CYS HBx 1.0 . 5.50 621 500 A 50 TYR HA A 33 CYS HBx 1.0 . 5.50 622 501 A 33 CYS HBy A 34 GLY HAy 1.0 . 5.09 623 502 A 29 SER HA A 33 CYS HBy 1.0 . 4.86 624 503 A 33 CYS HBy A 28 CYS HBx 1.0 . 3.27 625 504 A 33 CYS HBy A 31 GLN HBy 1.0 . 4.62 626 505 A 33 CYS HBx A 28 CYS HBx 1.0 . 3.21 627 506 A 33 CYS HBx A 31 GLN HGx 1.0 . 5.50 628 507 A 31 GLN HBy A 33 CYS HBx 1.0 . 5.23 629 508 A 51 ARG HBy A 33 CYS HBx 1.0 . 5.50 630 509 A 35 THR HG2% A 33 CYS HBx 1.0 . 5.24 631 510 A 53 ALA HB% A 33 CYS HBx 1.0 . 5.50 632 511 A 65 ILE HB A 62 GLY HAy 1.0 . 4.83 633 512 A 65 ILE HG1y A 62 GLY HAy 1.0 . 4.28 634 513 A 65 ILE HD1% A 62 GLY HAy 1.0 . 3.62 635 514 A 62 GLY HAx A 63 ALA HB% 1.0 . 4.46 636 515 A 62 GLY HAx A 65 ILE HD1% 1.0 . 3.78 637 516 A 36 GLY HAx A 50 TYR HD% 1.0 . 4.26 638 517 A 36 GLY HAx A 50 TYR HE% 1.0 . 5.50 639 518 A 37 SER HA A 36 GLY HAx 1.0 . 4.48 640 519 A 57 GLY HAx A 50 TYR HA 1.0 . 4.23 641 520 A 50 TYR HA A 56 GLY HAy 1.0 . 5.27 642 521 A 57 GLY HAy A 50 TYR HBx 1.0 . 4.57 643 522 A 57 GLY HAy A 59 ILE HG1y 1.0 . 4.88 644 523 A 52 CYS HBx A 57 GLY HAy 1.0 . 5.50 645 524 A 57 GLY HAx A 50 TYR HBx 1.0 . 5.50 646 525 A 57 GLY HAx A 59 ILE HG1x 1.0 . 5.50 647 526 A 59 ILE HG1x A 55 GLY HAx 1.0 . 4.97 648 527 A 57 GLY HAx A 59 ILE HD1% 1.0 . 4.78 649 528 A 43 GLY HAx A 40 LYS HBx 1.0 . 5.11 650 529 A 43 GLY HAx A 44 ARG HBy 1.0 . 5.50 651 530 A 43 GLY HAx A 40 LYS HDy 1.0 . 4.31 652 531 A 52 CYS HBx A 56 GLY HAy 1.0 . 5.13 653 532 A 57 GLY HAx A 50 TYR HD% 1.0 . 4.13 654 533 A 57 GLY HAy A 50 TYR HD% 1.0 . 4.31 655 534 A 43 GLY HAy A 40 LYS HBx 1.0 . 4.50 656 535 A 43 GLY HAy A 40 LYS HDy 1.0 . 3.74 657 536 A 51 ARG HGy A 51 ARG HDx 1.0 . 2.85 658 536 A 51 ARG HDx A 51 ARG HGx 1.0 . 2.85 659 537 A 51 ARG HGy A 51 ARG HDy 1.0 . 2.85 660 537 A 51 ARG HDy A 51 ARG HGx 1.0 . 2.85 661 538 A 44 ARG HA A 44 ARG HDx 1.0 . 3.72 662 538 A 44 ARG HA A 44 ARG HDy 1.0 . 3.72 663 539 A 41 ARG HA A 41 ARG HDx 1.0 . 3.97 664 540 A 45 PRO HDx A 44 ARG HDx 1.0 . 3.82 665 540 A 45 PRO HDx A 44 ARG HDy 1.0 . 3.82 666 541 A 46 THR HB A 41 ARG HDx 1.0 . 4.36 667 542 A 5 PHE HE% A 44 ARG HDx 1.0 . 4.11 668 542 A 5 PHE HE% A 44 ARG HDy 1.0 . 4.11 669 543 A 44 ARG HDy A 44 ARG HBx 1.0 . 2.61 670 543 A 44 ARG HBx A 44 ARG HDx 1.0 . 2.61 671 544 A 44 ARG HGy A 44 ARG HDx 1.0 . 2.68 672 544 A 44 ARG HGy A 44 ARG HDy 1.0 . 2.68 673 545 A 44 ARG HGx A 44 ARG HDx 1.0 . 2.97 674 545 A 44 ARG HDy A 44 ARG HGx 1.0 . 2.97 675 546 A 65 ILE HG2% A 67 ARG HDx 1.0 . 3.95 676 546 A 65 ILE HG2% A 67 ARG HDy 1.0 . 3.95 677 547 A 48 VAL HGy% A 41 ARG HDx 1.0 . 4.02 678 548 A 33 CYS HA A 52 CYS HBx 1.0 . 4.71 679 549 A 52 CYS HBx A 50 TYR HA 1.0 . 5.24 680 550 A 52 CYS HBx A 55 GLY HAx 1.0 . 4.58 681 551 A 52 CYS HBx A 59 ILE HG1x 1.0 . 4.00 682 552 A 52 CYS HBx A 59 ILE HD1% 1.0 . 4.09 683 553 A 33 CYS HA A 52 CYS HBy 1.0 . 4.29 684 554 A 52 CYS HBy A 59 ILE HG1x 1.0 . 4.20 685 555 A 52 CYS HBy A 59 ILE HD1% 1.0 . 4.27 686 556 A 52 CYS HBy A 55 GLY HAx 1.0 . 5.50 687 557 A 57 GLY HAx A 52 CYS HBy 1.0 . 5.50 688 558 A 10 ARG HA A 10 ARG HDx 1.0 . 3.43 689 559 A 51 ARG HA A 50 TYR HBy 1.0 . 5.23 690 560 A 51 ARG HBy A 50 TYR HBy 1.0 . 4.66 691 561 A 61 LEU HA A 64 LEU HBy 1.0 . 4.56 692 562 A 61 LEU HA A 64 LEU HBx 1.0 . 4.56 693 563 A 37 SER HBx A 39 LYS HEy 1.0 . 4.16 694 563 A 37 SER HBy A 39 LYS HEy 1.0 . 4.16 695 564 A 37 SER HBy A 39 LYS HEx 1.0 . 4.16 696 564 A 39 LYS HEx A 37 SER HBx 1.0 . 4.16 697 565 A 40 LYS HA A 40 LYS HEx 1.0 . 3.99 698 565 A 40 LYS HA A 40 LYS HEy 1.0 . 3.99 699 566 A 45 PRO HA A 40 LYS HEx 1.0 . 3.65 700 566 A 45 PRO HA A 40 LYS HEy 1.0 . 3.65 701 567 A 66 LYS HA A 66 LYS HEx 1.0 . 4.33 702 567 A 66 LYS HA A 66 LYS HEy 1.0 . 4.33 703 568 A 14 PRO HA A 17 LYS HEy 1.0 . 4.15 704 569 A 65 ILE HA A 66 LYS HEx 1.0 . 4.29 705 569 A 65 ILE HA A 66 LYS HEy 1.0 . 4.29 706 570 A 50 TYR HBx A 51 ARG HGx 1.0 . 4.05 707 570 A 50 TYR HBx A 51 ARG HGy 1.0 . 4.05 708 571 A 35 THR HG2% A 50 TYR HBx 1.0 . 3.20 709 572 A 50 TYR HBx A 51 ARG HBx 1.0 . 5.50 710 573 A 18 LYS HDy A 18 LYS HEx 1.0 . 2.85 711 573 A 18 LYS HDx A 18 LYS HEx 1.0 . 2.85 712 573 A 18 LYS HEy A 18 LYS HDx 1.0 . 2.85 713 573 A 18 LYS HDy A 18 LYS HEy 1.0 . 2.85 714 574 A 66 LYS HDx A 66 LYS HEx 1.0 . 3.00 715 574 A 66 LYS HDy A 66 LYS HEx 1.0 . 3.00 716 574 A 66 LYS HEy A 66 LYS HDx 1.0 . 3.00 717 574 A 66 LYS HEy A 66 LYS HDy 1.0 . 3.00 718 575 A 40 LYS HEy A 40 LYS HDx 1.0 . 2.56 719 575 A 40 LYS HDx A 40 LYS HEx 1.0 . 2.56 720 576 A 40 LYS HEy A 40 LYS HGx 1.0 . 3.32 721 576 A 40 LYS HEx A 40 LYS HGx 1.0 . 3.32 722 576 A 40 LYS HGy A 40 LYS HEx 1.0 . 3.32 723 576 A 40 LYS HGy A 40 LYS HEy 1.0 . 3.32 724 577 A 23 LEU HBy A 27 SER HBy 1.0 . 5.13 725 578 A 48 VAL HB A 50 TYR HE% 1.0 . 3.96 726 579 A 48 VAL HGx% A 50 TYR HE% 1.0 . 3.86 727 580 A 35 THR HG2% A 50 TYR HD% 1.0 . 3.68 728 581 A 50 TYR HD% A 51 ARG HGx 1.0 . 5.17 729 581 A 51 ARG HGy A 50 TYR HD% 1.0 . 5.17 730 582 A 36 GLY HAy A 50 TYR HD% 1.0 . 3.88 731 583 A 58 ASP HA A 50 TYR HD% 1.0 . 5.05 732 584 A 5 PHE HD% A 44 ARG HDx 1.0 . 4.79 733 584 A 5 PHE HD% A 44 ARG HDy 1.0 . 4.79 734 585 A 3 ILE H A 3 ILE HG1x 1.0 . 2.99 735 585 A 3 ILE H A 3 ILE HG1y 1.0 . 2.99 736 586 A 3 ILE HA A 3 ILE HG1x 1.0 . 3.01 737 586 A 3 ILE HA A 3 ILE HG1y 1.0 . 3.01 738 587 A 3 ILE HA A 4 ASP HBy 1.0 . 4.75 739 587 A 3 ILE HA A 4 ASP HBx 1.0 . 4.75 740 588 A 5 PHE HD% A 6 SER HBy 1.0 . 4.69 741 588 A 6 SER HBx A 5 PHE HD% 1.0 . 4.69 742 589 A 5 PHE HE% A 6 SER HBy 1.0 . 5.20 743 589 A 6 SER HBx A 5 PHE HE% 1.0 . 5.20 744 590 A 6 SER HA A 6 SER HBy 1.0 . 2.55 745 590 A 6 SER HBx A 6 SER HA 1.0 . 2.55 746 591 A 7 THR HA A 23 LEU HBx 1.0 . 3.73 747 591 A 23 LEU HBy A 7 THR HA 1.0 . 3.73 748 592 A 7 THR HA A 23 LEU HDx% 1.0 . 3.18 749 592 A 23 LEU HDy% A 7 THR HA 1.0 . 3.18 750 593 A 7 THR HB A 23 LEU HBx 1.0 . 3.63 751 593 A 23 LEU HBy A 7 THR HB 1.0 . 3.63 752 594 A 7 THR HB A 23 LEU HDx% 1.0 . 3.87 753 594 A 23 LEU HDy% A 7 THR HB 1.0 . 3.87 754 595 A 45 PRO HA A 8 CYS HBy 1.0 . 5.31 755 595 A 45 PRO HA A 8 CYS HBx 1.0 . 5.31 756 596 A 10 ARG HA A 10 ARG HDx 1.0 . 2.97 757 596 A 10 ARG HDy A 10 ARG HA 1.0 . 2.97 758 597 A 10 ARG HBx A 10 ARG HDx 1.0 . 3.07 759 597 A 10 ARG HDy A 10 ARG HBy 1.0 . 3.07 760 597 A 10 ARG HDy A 10 ARG HBx 1.0 . 3.07 761 597 A 10 ARG HBy A 10 ARG HDx 1.0 . 3.07 762 598 A 11 MET HA A 10 ARG HBy 1.0 . 5.03 763 598 A 10 ARG HBx A 11 MET HA 1.0 . 5.03 764 599 A 11 MET HA A 11 MET HBy 1.0 . 2.62 765 599 A 11 MET HA A 11 MET HBx 1.0 . 2.62 766 600 A 11 MET HA A 11 MET HGy 1.0 . 3.54 767 600 A 11 MET HA A 11 MET HGx 1.0 . 3.54 768 601 A 11 MET HA A 12 ASP HBy 1.0 . 4.91 769 601 A 11 MET HA A 12 ASP HBx 1.0 . 4.91 770 602 A 11 MET HA A 45 PRO HBy 1.0 . 5.31 771 602 A 11 MET HA A 45 PRO HBx 1.0 . 5.31 772 603 A 12 ASP H A 12 ASP HBy 1.0 . 3.20 773 603 A 12 ASP H A 12 ASP HBx 1.0 . 3.20 774 604 A 13 VAL HA A 12 ASP HBy 1.0 . 5.34 775 604 A 12 ASP HBx A 13 VAL HA 1.0 . 5.34 776 605 A 13 VAL HA A 14 PRO HBy 1.0 . 5.08 777 605 A 13 VAL HA A 14 PRO HBx 1.0 . 5.08 778 606 A 13 VAL HA A 14 PRO HDy 1.0 . 2.79 779 606 A 13 VAL HA A 14 PRO HDx 1.0 . 2.79 780 607 A 14 PRO HA A 13 VAL HGx% 1.0 . 4.71 781 607 A 13 VAL HGy% A 14 PRO HA 1.0 . 4.71 782 608 A 13 VAL HGy% A 14 PRO HDy 1.0 . 3.82 783 608 A 13 VAL HGx% A 14 PRO HDy 1.0 . 3.82 784 608 A 14 PRO HDx A 13 VAL HGx% 1.0 . 3.82 785 608 A 13 VAL HGy% A 14 PRO HDx 1.0 . 3.82 786 609 A 14 PRO HA A 17 LYS HEy 1.0 . 3.47 787 609 A 14 PRO HA A 17 LYS HEx 1.0 . 3.47 788 610 A 14 PRO HBx A 17 LYS HEy 1.0 . 4.45 789 610 A 14 PRO HBy A 17 LYS HEy 1.0 . 4.45 790 610 A 17 LYS HEx A 14 PRO HBy 1.0 . 4.45 791 610 A 14 PRO HBx A 17 LYS HEx 1.0 . 4.45 792 611 A 14 PRO HDx A 15 ILE HG1y 1.0 . 4.83 793 611 A 14 PRO HDy A 15 ILE HG1y 1.0 . 4.83 794 611 A 15 ILE HG1x A 14 PRO HDy 1.0 . 4.83 795 611 A 14 PRO HDx A 15 ILE HG1x 1.0 . 4.83 796 612 A 17 LYS HA A 17 LYS HEy 1.0 . 4.45 797 612 A 17 LYS HA A 17 LYS HEx 1.0 . 4.45 798 613 A 17 LYS HEx A 17 LYS HGx 1.0 . 3.00 799 613 A 17 LYS HEy A 17 LYS HGx 1.0 . 3.00 800 613 A 17 LYS HGy A 17 LYS HEy 1.0 . 3.00 801 613 A 17 LYS HGy A 17 LYS HEx 1.0 . 3.00 802 614 A 18 LYS HEy A 18 LYS HGy 1.0 . 3.31 803 614 A 18 LYS HEx A 18 LYS HGy 1.0 . 3.31 804 614 A 18 LYS HGx A 18 LYS HEx 1.0 . 3.31 805 614 A 18 LYS HEy A 18 LYS HGx 1.0 . 3.31 806 615 A 21 GLN H A 21 GLN HBx 1.0 . 2.62 807 615 A 21 GLN H A 21 GLN HBy 1.0 . 2.62 808 616 A 21 GLN HA A 21 GLN HGx 1.0 . 2.91 809 616 A 21 GLN HA A 21 GLN HGy 1.0 . 2.91 810 617 A 22 GLY H A 21 GLN HBx 1.0 . 3.05 811 617 A 22 GLY H A 21 GLN HBy 1.0 . 3.05 812 618 A 24 CYS H A 21 GLN HBx 1.0 . 4.96 813 618 A 24 CYS H A 21 GLN HBy 1.0 . 4.96 814 619 A 23 LEU HBx A 27 SER HBy 1.0 . 4.51 815 619 A 23 LEU HBy A 27 SER HBy 1.0 . 4.51 816 620 A 23 LEU HDy% A 27 SER HBy 1.0 . 4.19 817 620 A 23 LEU HDx% A 27 SER HBy 1.0 . 4.19 818 621 A 30 MET HA A 29 SER HBy 1.0 . 3.92 819 621 A 29 SER HBx A 30 MET HA 1.0 . 3.92 820 622 A 30 MET HBy A 29 SER HBy 1.0 . 5.25 821 622 A 29 SER HBx A 30 MET HBy 1.0 . 5.25 822 623 A 31 GLN HA A 64 LEU HBx 1.0 . 4.72 823 623 A 64 LEU HBy A 31 GLN HA 1.0 . 4.72 824 624 A 31 GLN HA A 64 LEU HDx% 1.0 . 4.12 825 624 A 31 GLN HA A 64 LEU HDy% 1.0 . 4.12 826 625 A 31 GLN HBx A 64 LEU HBx 1.0 . 3.62 827 625 A 64 LEU HBy A 31 GLN HBx 1.0 . 3.62 828 626 A 64 LEU HBy A 31 GLN HGy 1.0 . 5.34 829 626 A 31 GLN HGy A 64 LEU HBx 1.0 . 5.34 830 627 A 64 LEU HBy A 31 GLN HGx 1.0 . 4.13 831 627 A 31 GLN HGx A 64 LEU HBx 1.0 . 4.13 832 628 A 32 ASN HA A 32 ASN HBy 1.0 . 2.52 833 628 A 32 ASN HA A 32 ASN HBx 1.0 . 2.52 834 629 A 34 GLY HAx A 51 ARG HDy 1.0 . 4.03 835 629 A 34 GLY HAx A 51 ARG HDx 1.0 . 4.03 836 630 A 35 THR HB A 51 ARG HDx 1.0 . 4.12 837 630 A 35 THR HB A 51 ARG HDy 1.0 . 4.12 838 631 A 37 SER HBx A 39 LYS HDy 1.0 . 4.27 839 631 A 37 SER HBy A 39 LYS HDy 1.0 . 4.27 840 631 A 39 LYS HDx A 37 SER HBx 1.0 . 4.27 841 631 A 37 SER HBy A 39 LYS HDx 1.0 . 4.27 842 632 A 37 SER HBx A 39 LYS HEy 1.0 . 3.31 843 632 A 37 SER HBy A 39 LYS HEy 1.0 . 3.31 844 632 A 39 LYS HEx A 37 SER HBx 1.0 . 3.31 845 632 A 37 SER HBy A 39 LYS HEx 1.0 . 3.31 846 633 A 39 LYS HEx A 39 LYS HGx 1.0 . 3.50 847 633 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.50 848 633 A 39 LYS HGy A 39 LYS HEy 1.0 . 3.50 849 633 A 39 LYS HGy A 39 LYS HEx 1.0 . 3.50 850 634 A 41 ARG HBx A 42 SER HBy 1.0 . 4.37 851 634 A 41 ARG HBy A 42 SER HBy 1.0 . 4.37 852 634 A 42 SER HBx A 41 ARG HBx 1.0 . 4.37 853 634 A 41 ARG HBy A 42 SER HBx 1.0 . 4.37 854 635 A 44 ARG HBy A 42 SER HBx 1.0 . 4.61 855 635 A 44 ARG HBy A 42 SER HBy 1.0 . 4.61 856 636 A 44 ARG HGy A 42 SER HBy 1.0 . 4.69 857 636 A 44 ARG HGy A 42 SER HBx 1.0 . 4.69 858 637 A 44 ARG HA A 45 PRO HGy 1.0 . 4.26 859 637 A 44 ARG HA A 45 PRO HGx 1.0 . 4.26 860 638 A 51 ARG HA A 51 ARG HDx 1.0 . 3.54 861 638 A 51 ARG HA A 51 ARG HDy 1.0 . 3.54 862 639 A 51 ARG HBy A 51 ARG HDy 1.0 . 3.38 863 639 A 51 ARG HBy A 51 ARG HDx 1.0 . 3.38 864 640 A 58 ASP H A 58 ASP HBx 1.0 . 3.23 865 640 A 58 ASP H A 58 ASP HBy 1.0 . 3.23 866 641 A 59 ILE H A 58 ASP HBx 1.0 . 3.63 867 641 A 59 ILE H A 58 ASP HBy 1.0 . 3.63 868 642 A 61 LEU HA A 61 LEU HDx% 1.0 . 2.79 869 642 A 61 LEU HA A 61 LEU HDy% 1.0 . 2.79 870 643 A 61 LEU HA A 64 LEU HBx 1.0 . 3.76 871 643 A 61 LEU HA A 64 LEU HBy 1.0 . 3.76 872 644 A 64 LEU HA A 64 LEU HBx 1.0 . 2.56 873 644 A 64 LEU HBy A 64 LEU HA 1.0 . 2.56 874 645 A 64 LEU HA A 64 LEU HDx% 1.0 . 2.65 875 645 A 64 LEU HA A 64 LEU HDy% 1.0 . 2.65 876 646 A 64 LEU HBy A 64 LEU HDx% 1.0 . 2.47 877 646 A 64 LEU HBx A 64 LEU HDx% 1.0 . 2.47 878 646 A 64 LEU HDy% A 64 LEU HBx 1.0 . 2.47 879 646 A 64 LEU HBy A 64 LEU HDy% 1.0 . 2.47 880 647 A 64 LEU HBx A 65 ILE HG1x 1.0 . 5.10 881 647 A 64 LEU HBy A 65 ILE HG1x 1.0 . 5.10 882 648 A 66 LYS HA A 66 LYS HGy 1.0 . 3.62 883 648 A 66 LYS HGx A 66 LYS HA 1.0 . 3.62 884 649 A 66 LYS HEy A 66 LYS HGy 1.0 . 3.25 885 649 A 66 LYS HEx A 66 LYS HGy 1.0 . 3.25 886 649 A 66 LYS HGx A 66 LYS HEx 1.0 . 3.25 887 649 A 66 LYS HGx A 66 LYS HEy 1.0 . 3.25 888 650 A 67 ARG HA A 67 ARG HBy 1.0 . 2.63 889 650 A 67 ARG HBx A 67 ARG HA 1.0 . 2.63 890 651 A 67 ARG HA A 67 ARG HGy 1.0 . 3.02 891 651 A 67 ARG HA A 67 ARG HGx 1.0 . 3.02 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type undefined _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 4 ASP C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -88.0 -54.0 PHI 2 2 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 SER N 1.0 -55.0 -5.0 PSI 3 3 A 7 THR C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -136.0 -84.0 PHI 4 4 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 ALA N 1.0 157.0 175.0 PSI 5 5 A 8 CYS C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -70.0 -56.0 PHI 6 6 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ARG N 1.0 -38.0 -6.0 PSI 7 7 A 9 ALA C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -112.0 -68.0 PHI 8 8 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 MET N 1.0 -9.0 25.0 PSI 9 9 A 12 ASP C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -112.0 -66.0 PHI 10 10 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 PRO N 1.0 161.0 473.0 PSI 11 11 A 16 LEU C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -69.0 -57.0 PHI 12 12 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 LYS N 1.0 -49.0 -39.0 PSI 13 13 A 17 LYS C A 18 LYS N A 18 LYS CA A 18 LYS C 1.0 -66.0 -56.0 PHI 14 14 A 18 LYS N A 18 LYS CA A 18 LYS C A 19 ALA N 1.0 -47.0 -37.0 PSI 15 15 A 18 LYS C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -72.0 -60.0 PHI 16 16 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 -46.0 -30.0 PSI 17 17 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -68.0 -54.0 PHI 18 18 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLN N 1.0 -46.0 -38.0 PSI 19 19 A 20 ALA C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -69.0 -61.0 PHI 20 20 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 GLY N 1.0 -44.0 -26.0 PSI 21 21 A 21 GLN C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -76.0 -60.0 PHI 22 22 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 LEU N 1.0 -45.0 -33.0 PSI 23 23 A 22 GLY C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -99.0 -73.0 PHI 24 24 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 CYS N 1.0 -28.0 16.0 PSI 25 25 A 24 CYS C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -70.0 -54.0 PHI 26 26 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 THR N 1.0 -46.0 -26.0 PSI 27 27 A 25 ILE C A 26 THR N A 26 THR CA A 26 THR C 1.0 -71.0 -61.0 PHI 28 28 A 26 THR N A 26 THR CA A 26 THR C A 27 SER N 1.0 -42.0 -36.0 PSI 29 29 A 26 THR C A 27 SER N A 27 SER CA A 27 SER C 1.0 -72.0 -62.0 PHI 30 30 A 27 SER N A 27 SER CA A 27 SER C A 28 CYS N 1.0 -47.0 -27.0 PSI 31 31 A 27 SER C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -72.0 -58.0 PHI 32 32 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 SER N 1.0 -47.0 -33.0 PSI 33 33 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -72.0 -56.0 PHI 34 34 A 29 SER N A 29 SER CA A 29 SER C A 30 MET N 1.0 -52.0 -18.0 PSI 35 35 A 29 SER C A 30 MET N A 30 MET CA A 30 MET C 1.0 -72.0 -60.0 PHI 36 36 A 30 MET N A 30 MET CA A 30 MET C A 31 GLN N 1.0 -37.0 -17.0 PSI 37 37 A 30 MET C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -108.0 -86.0 PHI 38 38 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 ASN N 1.0 7.0 27.0 PSI 39 39 A 34 GLY C A 35 THR N A 35 THR CA A 35 THR C 1.0 -158.0 -114.0 PHI 40 40 A 35 THR N A 35 THR CA A 35 THR C A 36 GLY N 1.0 139.0 179.0 PSI 41 41 A 36 GLY C A 37 SER N A 37 SER CA A 37 SER C 1.0 -134.0 -104.0 PHI 42 42 A 37 SER N A 37 SER CA A 37 SER C A 38 CYS N 1.0 118.0 144.0 PSI 43 43 A 37 SER C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -141.0 -115.0 PHI 44 44 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 LYS N 1.0 140.0 164.0 PSI 45 45 A 38 CYS C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -145.0 -119.0 PHI 46 46 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 LYS N 1.0 141.0 163.0 PSI 47 47 A 39 LYS C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -109.0 -67.0 PHI 48 48 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 112.0 142.0 PSI 49 49 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -128.0 -80.0 PHI 50 50 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 SER N 1.0 98.0 154.0 PSI 51 51 A 42 SER C A 43 GLY N A 43 GLY CA A 43 GLY C 1.0 69.0 87.0 PHI 52 52 A 43 GLY N A 43 GLY CA A 43 GLY C A 44 ARG N 1.0 -9.0 17.0 PSI 53 53 A 43 GLY C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -120.0 -76.0 PHI 54 54 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 PRO N 1.0 122.0 150.0 PSI 55 55 A 45 PRO C A 46 THR N A 46 THR CA A 46 THR C 1.0 -132.0 -98.0 PHI 56 56 A 46 THR N A 46 THR CA A 46 THR C A 47 CYS N 1.0 117.0 139.0 PSI 57 57 A 46 THR C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -126.0 -100.0 PHI 58 58 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 VAL N 1.0 120.0 134.0 PSI 59 59 A 47 CYS C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -112.0 -84.0 PHI 60 60 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 CYS N 1.0 126.0 140.0 PSI 61 61 A 48 VAL C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -150.0 -120.0 PHI 62 62 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 TYR N 1.0 147.0 179.0 PSI 63 63 A 49 CYS C A 50 TYR N A 50 TYR CA A 50 TYR C 1.0 -154.0 -84.0 PHI 64 64 A 50 TYR N A 50 TYR CA A 50 TYR C A 51 ARG N 1.0 147.0 173.0 PSI 65 65 A 53 ALA C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -100.0 -80.0 PHI 66 66 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 GLY N 1.0 -7.0 19.0 PSI 67 67 A 57 GLY C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -126.0 -64.0 PHI 68 68 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 ILE N 1.0 98.0 154.0 PSI 69 69 A 60 PRO C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -76.0 -50.0 PHI 70 70 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 GLY N 1.0 -52.0 -14.0 PSI 71 71 A 61 LEU C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 -86.0 -50.0 PHI 72 72 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 ALA N 1.0 -51.0 -3.0 PSI 73 73 A 62 GLY C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -79.0 -57.0 PHI 74 74 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 LEU N 1.0 -53.0 -7.0 PSI 75 75 A 63 ALA C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -94.0 -58.0 PHI 76 76 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 ILE N 1.0 -51.0 7.0 PSI stop_ save_