data_nef_c16143_2ked 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 BMRB 16142 BMRB 16145 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 11 CYS SG 1 36 CYS SG 1 13 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 GLY start . false 2 A 0 MET middle . . 3 A 1 LYS middle . . 4 A 2 PRO middle . false 5 A 3 VAL middle . . 6 A 4 SER middle . . 7 A 5 LEU middle . . 8 A 6 SER middle . . 9 A 7 TYR middle . . 10 A 8 ARG middle . . 11 A 9 CYS middle -HG . 12 A 10 PRO middle . false 13 A 11 CYS middle -HG . 14 A 12 ARG middle . . 15 A 13 PHE middle . . 16 A 14 PHE middle . . 17 A 15 GLU middle . . 18 A 16 SER middle . . 19 A 17 HIS middle . . 20 A 18 VAL middle . . 21 A 19 ALA middle . . 22 A 20 ARG middle . . 23 A 21 ALA middle . . 24 A 22 ASN middle . . 25 A 23 VAL middle . . 26 A 24 LYS middle . . 27 A 25 HIS middle . . 28 A 26 LEU middle . . 29 A 27 LYS middle . . 30 A 28 ILE middle . . 31 A 29 LEU middle . . 32 A 30 ASN middle . . 33 A 31 THR middle . . 34 A 32 PRO middle . false 35 A 33 ASN middle . . 36 A 34 CYS middle -HG . 37 A 35 ALA middle . . 38 A 36 LEU middle . . 39 A 37 GLN middle . . 40 A 38 ILE middle . . 41 A 39 VAL middle . . 42 A 40 ALA middle . . 43 A 41 ARG middle . . 44 A 42 LEU middle . . 45 A 43 LYS middle . . 46 A 44 ASN middle . . 47 A 45 ASN middle . . 48 A 46 ASN middle . . 49 A 47 ARG middle . . 50 A 48 GLN middle . . 51 A 49 VAL middle . . 52 A 50 CYS middle -HG . 53 A 51 ILE middle . . 54 A 52 ASP middle . . 55 A 53 PRO middle . false 56 A 54 LYS middle . . 57 A 55 LEU middle . . 58 A 56 LYS middle . . 59 A 57 TRP middle . . 60 A 58 ILE middle . . 61 A 59 GLN middle . . 62 A 60 GLU middle . . 63 A 61 TYR middle . . 64 A 62 LEU middle . . 65 A 63 GLU middle . . 66 A 64 LYS middle . . 67 A 65 ALA middle . . 68 A 66 LEU middle . . 69 A 67 ASN middle . . 70 A 68 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 LYS H H 1 8.394 0.020 A 1 LYS HA H 1 4.619 0.020 A 1 LYS HBy H 1 1.764 0.020 A 1 LYS HBx H 1 1.631 0.001 A 1 LYS HDx H 1 1.623 0.009 A 1 LYS HDy H 1 1.623 0.009 A 1 LYS HEx H 1 2.939 0.004 A 1 LYS HEy H 1 2.939 0.004 A 1 LYS HGx H 1 1.436 0.020 A 1 LYS HGy H 1 1.436 0.020 A 1 LYS C C 13 174.545 0.200 A 1 LYS CA C 13 54.299 0.110 A 1 LYS CB C 13 32.598 0.051 A 1 LYS CD C 13 28.872 0.074 A 1 LYS CE C 13 42.003 0.200 A 1 LYS CG C 13 24.854 0.200 A 1 LYS N N 15 124.630 0.200 A 2 PRO HA H 1 4.416 0.020 A 2 PRO HBy H 1 2.251 0.009 A 2 PRO HBx H 1 1.844 0.001 A 2 PRO HDy H 1 3.813 0.020 A 2 PRO HDx H 1 3.603 0.020 A 2 PRO HGx H 1 1.996 0.020 A 2 PRO HGy H 1 1.996 0.020 A 2 PRO C C 13 176.996 0.200 A 2 PRO CA C 13 63.494 0.200 A 2 PRO CB C 13 32.161 0.200 A 2 PRO CD C 13 50.905 0.030 A 2 PRO CG C 13 27.587 0.034 A 3 VAL H H 1 8.227 0.020 A 3 VAL HA H 1 4.058 0.020 A 3 VAL HB H 1 2.023 0.020 A 3 VAL HGx% H 1 0.914 0.006 A 3 VAL HGy% H 1 0.914 0.006 A 3 VAL C C 13 176.376 0.012 A 3 VAL CA C 13 62.495 0.200 A 3 VAL CB C 13 32.808 0.200 A 3 VAL CG1 C 13 21.150 0.200 A 3 VAL N N 15 121.008 0.200 A 4 SER H H 1 8.270 0.020 A 4 SER HA H 1 4.409 0.004 A 4 SER HBx H 1 3.784 0.020 A 4 SER HBy H 1 3.784 0.020 A 4 SER C C 13 174.577 0.002 A 4 SER CA C 13 58.148 0.200 A 4 SER CB C 13 63.870 0.200 A 4 SER N N 15 119.573 0.200 A 5 LEU H H 1 8.273 0.020 A 5 LEU HA H 1 4.320 0.020 A 5 LEU HBy H 1 1.558 0.020 A 5 LEU HBx H 1 1.475 0.020 A 5 LEU HDx% H 1 0.830 0.020 A 5 LEU HDy% H 1 0.830 0.020 A 5 LEU HG H 1 1.584 0.020 A 5 LEU C C 13 177.341 0.005 A 5 LEU CA C 13 55.388 0.200 A 5 LEU CB C 13 42.650 0.200 A 5 LEU CD1 C 13 25.329 0.053 A 5 LEU CG C 13 27.529 0.059 A 5 LEU N N 15 125.039 0.200 A 6 SER H H 1 8.127 0.020 A 6 SER HA H 1 4.335 0.020 A 6 SER HBx H 1 3.740 0.006 A 6 SER HBy H 1 3.740 0.006 A 6 SER C C 13 174.189 0.001 A 6 SER CA C 13 58.433 0.200 A 6 SER CB C 13 63.870 0.200 A 6 SER N N 15 116.154 0.200 A 7 TYR H H 1 7.971 0.020 A 7 TYR HA H 1 4.502 0.020 A 7 TYR HBy H 1 3.017 0.005 A 7 TYR HBx H 1 2.869 0.003 A 7 TYR HD1 H 1 7.076 0.020 A 7 TYR HD2 H 1 7.076 0.020 A 7 TYR HE1 H 1 6.766 0.020 A 7 TYR HE2 H 1 6.766 0.020 A 7 TYR C C 13 175.520 0.001 A 7 TYR CA C 13 58.008 0.200 A 7 TYR CB C 13 38.956 0.200 A 7 TYR CD1 C 13 133.298 0.200 A 7 TYR CE1 C 13 118.338 0.200 A 7 TYR N N 15 122.213 0.200 A 8 ARG H H 1 8.118 0.020 A 8 ARG HA H 1 4.253 0.020 A 8 ARG HBy H 1 1.754 0.020 A 8 ARG HBx H 1 1.654 0.020 A 8 ARG HDx H 1 3.116 0.020 A 8 ARG HDy H 1 3.116 0.020 A 8 ARG HGx H 1 1.493 0.005 A 8 ARG HGy H 1 1.493 0.005 A 8 ARG C C 13 175.918 0.001 A 8 ARG CA C 13 56.104 0.200 A 8 ARG CB C 13 30.875 0.200 A 8 ARG CD C 13 43.813 0.005 A 8 ARG CG C 13 27.118 0.060 A 8 ARG N N 15 122.182 0.200 A 9 CYS H H 1 8.097 0.007 A 9 CYS HA H 1 4.909 0.020 A 9 CYS HBx H 1 2.681 0.020 A 9 CYS HBy H 1 3.203 0.020 A 9 CYS C C 13 173.615 0.200 A 9 CYS CA C 13 53.127 0.200 A 9 CYS CB C 13 40.218 0.049 A 9 CYS N N 15 121.280 0.200 A 10 PRO HA H 1 4.275 0.020 A 10 PRO HBy H 1 2.261 0.020 A 10 PRO HBx H 1 1.836 0.020 A 10 PRO HDx H 1 3.822 0.020 A 10 PRO HDy H 1 3.822 0.020 A 10 PRO HGx H 1 2.004 0.020 A 10 PRO HGy H 1 2.004 0.020 A 10 PRO C C 13 177.703 0.200 A 10 PRO CA C 13 64.859 0.200 A 10 PRO CB C 13 32.508 0.052 A 10 PRO CD C 13 51.278 0.051 A 10 PRO CG C 13 27.682 0.065 A 11 CYS H H 1 8.248 0.020 A 11 CYS HA H 1 4.827 0.004 A 11 CYS HBy H 1 2.933 0.006 A 11 CYS HBx H 1 2.744 0.004 A 11 CYS C C 13 174.202 0.200 A 11 CYS CA C 13 53.429 0.072 A 11 CYS CB C 13 39.603 0.001 A 11 CYS N N 15 114.161 0.200 A 12 ARG HA H 1 3.984 0.020 A 12 ARG HBy H 1 1.522 0.004 A 12 ARG HBx H 1 1.475 0.001 A 12 ARG HDx H 1 2.951 0.020 A 12 ARG HDy H 1 2.951 0.020 A 12 ARG HGy H 1 1.259 0.020 A 12 ARG HGx H 1 1.185 0.020 A 12 ARG C C 13 175.202 0.200 A 12 ARG CA C 13 57.293 0.200 A 12 ARG CB C 13 31.098 0.001 A 12 ARG CD C 13 43.350 0.200 A 12 ARG CG C 13 26.897 0.044 A 13 PHE H H 1 7.524 0.003 A 13 PHE HA H 1 4.488 0.002 A 13 PHE HBy H 1 3.066 0.020 A 13 PHE HBx H 1 2.786 0.020 A 13 PHE HD1 H 1 7.174 0.003 A 13 PHE HD2 H 1 7.174 0.003 A 13 PHE HE1 H 1 7.294 0.020 A 13 PHE HE2 H 1 7.294 0.020 A 13 PHE HZ H 1 7.274 0.020 A 13 PHE C C 13 174.226 0.010 A 13 PHE CA C 13 55.971 0.200 A 13 PHE CB C 13 41.059 0.066 A 13 PHE CD1 C 13 132.275 0.200 A 13 PHE CE1 C 13 132.754 0.200 A 13 PHE CZ C 13 129.771 0.200 A 13 PHE N N 15 116.175 0.200 A 14 PHE H H 1 8.309 0.002 A 14 PHE HA H 1 4.794 0.002 A 14 PHE HBx H 1 2.738 0.020 A 14 PHE HBy H 1 2.787 0.020 A 14 PHE HD1 H 1 6.984 0.004 A 14 PHE HD2 H 1 6.984 0.004 A 14 PHE HE1 H 1 7.289 0.002 A 14 PHE HE2 H 1 7.289 0.002 A 14 PHE HZ H 1 7.216 0.020 A 14 PHE C C 13 175.247 0.001 A 14 PHE CA C 13 55.559 0.200 A 14 PHE CB C 13 41.220 0.200 A 14 PHE CD1 C 13 131.888 0.200 A 14 PHE CE1 C 13 131.530 0.200 A 14 PHE CZ C 13 130.151 0.200 A 14 PHE N N 15 119.656 0.200 A 15 GLU H H 1 8.904 0.020 A 15 GLU HA H 1 4.525 0.020 A 15 GLU HBy H 1 2.071 0.004 A 15 GLU HBx H 1 1.955 0.020 A 15 GLU HGy H 1 2.360 0.020 A 15 GLU HGx H 1 2.230 0.003 A 15 GLU C C 13 176.747 0.012 A 15 GLU CA C 13 56.012 0.200 A 15 GLU CB C 13 30.894 0.044 A 15 GLU CG C 13 36.376 0.034 A 15 GLU N N 15 122.929 0.200 A 16 SER H H 1 8.752 0.020 A 16 SER HA H 1 4.708 0.020 A 16 SER HBy H 1 3.863 0.020 A 16 SER HBx H 1 3.666 0.020 A 16 SER C C 13 174.278 0.004 A 16 SER CA C 13 59.799 0.200 A 16 SER CB C 13 64.023 0.200 A 16 SER N N 15 119.679 0.200 A 17 HIS H H 1 9.044 0.020 A 17 HIS HA H 1 4.873 0.020 A 17 HIS HBy H 1 3.358 0.020 A 17 HIS HBx H 1 3.210 0.020 A 17 HIS HD2 H 1 7.313 0.020 A 17 HIS HE1 H 1 8.510 0.020 A 17 HIS C C 13 174.580 0.006 A 17 HIS CA C 13 56.240 0.200 A 17 HIS CB C 13 28.272 0.200 A 17 HIS CD2 C 13 119.956 0.200 A 17 HIS CE1 C 13 136.711 0.200 A 17 HIS N N 15 120.269 0.200 A 18 VAL H H 1 7.212 0.020 A 18 VAL HA H 1 4.226 0.020 A 18 VAL HB H 1 1.949 0.020 A 18 VAL HGx% H 1 0.869 0.020 A 18 VAL HGy% H 1 0.869 0.020 A 18 VAL C C 13 174.138 0.007 A 18 VAL CA C 13 61.605 0.200 A 18 VAL CB C 13 34.102 0.200 A 18 VAL CG1 C 13 21.812 0.020 A 18 VAL N N 15 119.528 0.200 A 19 ALA H H 1 8.553 0.004 A 19 ALA HA H 1 4.340 0.020 A 19 ALA HB% H 1 1.282 0.020 A 19 ALA C C 13 177.514 0.007 A 19 ALA CA C 13 50.666 0.200 A 19 ALA CB C 13 19.660 0.200 A 19 ALA N N 15 131.180 0.200 A 20 ARG H H 1 7.726 0.001 A 20 ARG HA H 1 2.590 0.020 A 20 ARG HBx H 1 0.329 0.020 A 20 ARG HBy H 1 0.998 0.020 A 20 ARG HDx H 1 2.691 0.020 A 20 ARG HDy H 1 2.691 0.020 A 20 ARG HGy H 1 1.058 0.020 A 20 ARG HGx H 1 0.832 0.004 A 20 ARG C C 13 178.531 0.007 A 20 ARG CA C 13 59.155 0.200 A 20 ARG CB C 13 29.167 0.200 A 20 ARG CD C 13 43.485 0.200 A 20 ARG CG C 13 26.337 0.200 A 20 ARG N N 15 124.436 0.200 A 21 ALA H H 1 8.150 0.003 A 21 ALA HA H 1 4.019 0.006 A 21 ALA HB% H 1 1.243 0.020 A 21 ALA C C 13 177.743 0.006 A 21 ALA CA C 13 53.809 0.200 A 21 ALA CB C 13 18.688 0.200 A 21 ALA N N 15 117.354 0.200 A 22 ASN H H 1 7.706 0.005 A 22 ASN HA H 1 4.906 0.003 A 22 ASN HBy H 1 3.089 0.020 A 22 ASN HBx H 1 2.684 0.020 A 22 ASN HD2y H 1 7.709 0.020 A 22 ASN HD2x H 1 7.082 0.008 A 22 ASN C C 13 174.889 0.200 A 22 ASN CA C 13 52.590 0.200 A 22 ASN CB C 13 40.335 0.016 A 22 ASN N N 15 112.797 0.200 A 22 ASN ND2 N 15 112.095 0.006 A 23 VAL H H 1 7.457 0.005 A 23 VAL HA H 1 4.326 0.020 A 23 VAL HB H 1 2.065 0.020 A 23 VAL HGx% H 1 0.830 0.020 A 23 VAL HGy% H 1 0.830 0.020 A 23 VAL C C 13 174.594 0.007 A 23 VAL CA C 13 62.406 0.200 A 23 VAL CB C 13 33.445 0.200 A 23 VAL CG1 C 13 21.924 0.200 A 23 VAL N N 15 118.772 0.200 A 24 LYS H H 1 9.261 0.003 A 24 LYS HA H 1 4.406 0.009 A 24 LYS HBy H 1 1.524 0.020 A 24 LYS HBx H 1 1.494 0.004 A 24 LYS HDx H 1 1.582 0.020 A 24 LYS HDy H 1 1.582 0.020 A 24 LYS HEy H 1 2.913 0.020 A 24 LYS HEx H 1 2.800 0.020 A 24 LYS HGx H 1 1.167 0.020 A 24 LYS HGy H 1 1.167 0.020 A 24 LYS C C 13 175.247 0.001 A 24 LYS CA C 13 56.483 0.200 A 24 LYS CB C 13 35.023 0.002 A 24 LYS CD C 13 29.834 0.200 A 24 LYS CE C 13 42.493 0.089 A 24 LYS CG C 13 24.674 0.200 A 24 LYS N N 15 125.197 0.200 A 25 HIS H H 1 7.811 0.001 A 25 HIS HA H 1 4.627 0.020 A 25 HIS HBx H 1 3.065 0.020 A 25 HIS HBy H 1 3.129 0.020 A 25 HIS HD2 H 1 7.070 0.005 A 25 HIS HE1 H 1 8.186 0.020 A 25 HIS C C 13 173.157 0.200 A 25 HIS CA C 13 55.463 0.200 A 25 HIS CB C 13 31.832 0.200 A 25 HIS CD2 C 13 120.304 0.200 A 25 HIS CE1 C 13 137.747 0.200 A 25 HIS N N 15 115.509 0.200 A 26 LEU H H 1 8.311 0.020 A 26 LEU HA H 1 4.991 0.020 A 26 LEU HBy H 1 1.378 0.020 A 26 LEU HBx H 1 1.215 0.020 A 26 LEU HDx% H 1 0.605 0.020 A 26 LEU HDy% H 1 0.526 0.020 A 26 LEU HG H 1 1.362 0.020 A 26 LEU C C 13 175.514 0.200 A 26 LEU CA C 13 54.662 0.200 A 26 LEU CB C 13 45.594 0.001 A 26 LEU CD1 C 13 25.455 0.200 A 26 LEU CD2 C 13 25.645 0.200 A 26 LEU CG C 13 26.984 0.200 A 27 LYS H H 1 9.003 0.002 A 27 LYS HA H 1 4.578 0.020 A 27 LYS HBx H 1 1.664 0.004 A 27 LYS HBy H 1 1.728 0.002 A 27 LYS HDx H 1 1.615 0.020 A 27 LYS HDy H 1 1.615 0.020 A 27 LYS HEx H 1 2.859 0.008 A 27 LYS HEy H 1 2.859 0.008 A 27 LYS HGx H 1 1.275 0.020 A 27 LYS HGy H 1 1.275 0.020 A 27 LYS C C 13 173.758 0.200 A 27 LYS CA C 13 54.945 0.200 A 27 LYS CB C 13 36.358 0.200 A 27 LYS CD C 13 29.572 0.200 A 27 LYS CE C 13 42.230 0.061 A 27 LYS CG C 13 25.035 0.200 A 27 LYS N N 15 122.740 0.200 A 28 ILE H H 1 8.526 0.003 A 28 ILE HA H 1 4.623 0.020 A 28 ILE HB H 1 1.721 0.020 A 28 ILE HD1% H 1 0.764 0.020 A 28 ILE HG1y H 1 1.519 0.020 A 28 ILE HG1x H 1 1.017 0.006 A 28 ILE HG2% H 1 0.784 0.020 A 28 ILE C C 13 175.988 0.012 A 28 ILE CA C 13 60.122 0.200 A 28 ILE CB C 13 38.795 0.200 A 28 ILE CD1 C 13 13.809 0.200 A 28 ILE CG1 C 13 28.364 0.051 A 28 ILE CG2 C 13 18.166 0.200 A 28 ILE N N 15 123.517 0.200 A 29 LEU H H 1 8.910 0.020 A 29 LEU HA H 1 4.553 0.004 A 29 LEU HBx H 1 1.536 0.001 A 29 LEU HBy H 1 1.536 0.001 A 29 LEU HDx% H 1 0.769 0.004 A 29 LEU HDy% H 1 0.769 0.004 A 29 LEU HG H 1 1.498 0.020 A 29 LEU C C 13 176.005 0.200 A 29 LEU CA C 13 53.975 0.200 A 29 LEU CB C 13 43.485 0.200 A 29 LEU CD1 C 13 24.072 0.200 A 29 LEU CG C 13 26.984 0.200 A 29 LEU N N 15 128.881 0.200 A 30 ASN H H 1 8.710 0.006 A 30 ASN HA H 1 4.954 0.004 A 30 ASN HBy H 1 2.737 0.006 A 30 ASN HBx H 1 2.446 0.001 A 30 ASN HD2y H 1 7.477 0.020 A 30 ASN HD2x H 1 6.619 0.020 A 30 ASN C C 13 174.462 0.012 A 30 ASN CA C 13 52.413 0.200 A 30 ASN CB C 13 39.232 0.025 A 30 ASN N N 15 124.019 0.200 A 30 ASN ND2 N 15 111.117 0.094 A 31 THR H H 1 8.094 0.001 A 31 THR HA H 1 4.628 0.020 A 31 THR HB H 1 3.956 0.020 A 31 THR HG2% H 1 1.226 0.020 A 31 THR CA C 13 59.475 0.200 A 31 THR CB C 13 70.459 0.200 A 31 THR CG2 C 13 22.280 0.200 A 31 THR N N 15 118.961 0.200 A 32 PRO HA H 1 4.206 0.020 A 32 PRO HBy H 1 2.235 0.003 A 32 PRO HBx H 1 1.766 0.004 A 32 PRO HDx H 1 3.655 0.002 A 32 PRO HDy H 1 3.821 0.020 A 32 PRO HGy H 1 2.003 0.020 A 32 PRO HGx H 1 1.912 0.005 A 32 PRO C C 13 176.814 0.200 A 32 PRO CA C 13 64.445 0.200 A 32 PRO CB C 13 32.170 0.026 A 32 PRO CD C 13 51.346 0.096 A 32 PRO CG C 13 27.757 0.034 A 33 ASN H H 1 8.504 0.003 A 33 ASN HA H 1 4.342 0.020 A 33 ASN HBx H 1 2.702 0.002 A 33 ASN HBy H 1 2.757 0.002 A 33 ASN HD2y H 1 7.266 0.002 A 33 ASN HD2x H 1 6.874 0.020 A 33 ASN C C 13 174.344 0.001 A 33 ASN CA C 13 54.945 0.200 A 33 ASN CB C 13 38.122 0.200 A 33 ASN N N 15 113.042 0.200 A 33 ASN ND2 N 15 113.756 0.082 A 34 CYS H H 1 7.526 0.020 A 34 CYS HA H 1 4.878 0.020 A 34 CYS HBy H 1 3.137 0.020 A 34 CYS HBx H 1 2.878 0.004 A 34 CYS C C 13 173.880 0.007 A 34 CYS CA C 13 54.622 0.200 A 34 CYS CB C 13 44.780 0.200 A 34 CYS N N 15 116.301 0.200 A 35 ALA H H 1 8.395 0.020 A 35 ALA HA H 1 4.205 0.020 A 35 ALA HB% H 1 1.397 0.020 A 35 ALA C C 13 176.677 0.200 A 35 ALA CA C 13 52.413 0.200 A 35 ALA CB C 13 18.968 0.200 A 35 ALA N N 15 125.001 0.200 A 36 LEU H H 1 8.004 0.020 A 36 LEU HA H 1 4.206 0.020 A 36 LEU HBx H 1 1.436 0.020 A 36 LEU HBy H 1 1.529 0.020 A 36 LEU HDx% H 1 0.816 0.020 A 36 LEU HDy% H 1 0.765 0.020 A 36 LEU HG H 1 1.504 0.020 A 36 LEU C C 13 176.194 0.004 A 36 LEU CA C 13 56.563 0.200 A 36 LEU CB C 13 42.465 0.079 A 36 LEU CD1 C 13 25.310 0.056 A 36 LEU CD2 C 13 25.366 0.200 A 36 LEU CG C 13 27.534 0.037 A 36 LEU N N 15 121.548 0.200 A 37 GLN H H 1 8.471 0.001 A 37 GLN HA H 1 4.621 0.020 A 37 GLN HBy H 1 2.143 0.020 A 37 GLN HBx H 1 1.981 0.020 A 37 GLN HE2y H 1 7.264 0.002 A 37 GLN HE2x H 1 6.595 0.004 A 37 GLN HGx H 1 2.354 0.020 A 37 GLN HGy H 1 2.424 0.020 A 37 GLN C C 13 173.581 0.009 A 37 GLN CA C 13 54.172 0.089 A 37 GLN CB C 13 32.461 0.083 A 37 GLN CG C 13 34.102 0.200 A 37 GLN N N 15 123.271 0.200 A 37 GLN NE2 N 15 110.257 0.200 A 38 ILE H H 1 9.429 0.006 A 38 ILE HA H 1 4.718 0.020 A 38 ILE HB H 1 1.828 0.020 A 38 ILE HD1% H 1 0.673 0.020 A 38 ILE HG1y H 1 1.405 0.020 A 38 ILE HG1x H 1 0.934 0.020 A 38 ILE HG2% H 1 0.632 0.020 A 38 ILE C C 13 174.547 0.016 A 38 ILE CA C 13 60.122 0.200 A 38 ILE CB C 13 38.899 0.200 A 38 ILE CD1 C 13 14.347 0.200 A 38 ILE CG1 C 13 27.584 0.041 A 38 ILE CG2 C 13 18.769 0.200 A 38 ILE N N 15 124.702 0.200 A 39 VAL H H 1 8.872 0.003 A 39 VAL HA H 1 5.027 0.020 A 39 VAL HB H 1 1.877 0.020 A 39 VAL HGx% H 1 0.840 0.020 A 39 VAL HGy% H 1 0.840 0.020 A 39 VAL C C 13 174.772 0.012 A 39 VAL CA C 13 60.111 0.200 A 39 VAL CB C 13 34.767 0.200 A 39 VAL CG1 C 13 20.789 0.200 A 39 VAL N N 15 124.441 0.200 A 40 ALA H H 1 9.305 0.005 A 40 ALA HA H 1 5.289 0.020 A 40 ALA HB% H 1 1.286 0.020 A 40 ALA C C 13 175.955 0.007 A 40 ALA CA C 13 50.093 0.200 A 40 ALA CB C 13 24.063 0.200 A 40 ALA N N 15 126.567 0.200 A 41 ARG H H 1 8.393 0.004 A 41 ARG HA H 1 5.119 0.005 A 41 ARG HBy H 1 1.635 0.020 A 41 ARG HBx H 1 1.555 0.020 A 41 ARG HDx H 1 3.061 0.020 A 41 ARG HDy H 1 3.061 0.020 A 41 ARG HGx H 1 1.527 0.020 A 41 ARG HGy H 1 1.577 0.020 A 41 ARG C C 13 176.184 0.007 A 41 ARG CA C 13 53.900 0.200 A 41 ARG CB C 13 32.306 0.159 A 41 ARG CD C 13 43.136 0.200 A 41 ARG CG C 13 27.641 0.036 A 41 ARG N N 15 118.991 0.200 A 42 LEU H H 1 9.010 0.005 A 42 LEU HA H 1 4.934 0.020 A 42 LEU HBx H 1 1.741 0.020 A 42 LEU HBy H 1 2.171 0.020 A 42 LEU HDx% H 1 0.981 0.020 A 42 LEU HDy% H 1 0.761 0.020 A 42 LEU HG H 1 1.786 0.020 A 42 LEU C C 13 178.369 0.003 A 42 LEU CA C 13 54.329 0.200 A 42 LEU CB C 13 41.497 0.200 A 42 LEU CD1 C 13 26.006 0.200 A 42 LEU CD2 C 13 23.029 0.100 A 42 LEU CG C 13 27.111 0.004 A 42 LEU N N 15 125.764 0.200 A 43 LYS H H 1 8.474 0.003 A 43 LYS HA H 1 3.821 0.020 A 43 LYS HBy H 1 1.835 0.020 A 43 LYS HBx H 1 1.668 0.020 A 43 LYS HDx H 1 1.676 0.006 A 43 LYS HDy H 1 1.676 0.006 A 43 LYS HEy H 1 2.926 0.020 A 43 LYS HEx H 1 2.892 0.020 A 43 LYS HGy H 1 1.240 0.020 A 43 LYS HGx H 1 1.152 0.020 A 43 LYS CA C 13 59.340 0.200 A 43 LYS CB C 13 33.445 0.200 A 43 LYS CD C 13 29.883 0.200 A 43 LYS CE C 13 42.327 0.200 A 43 LYS CG C 13 26.938 0.051 A 43 LYS N N 15 120.489 0.200 A 44 ASN H H 1 8.657 0.020 A 44 ASN HA H 1 4.433 0.020 A 44 ASN HBy H 1 2.907 0.004 A 44 ASN HBx H 1 2.800 0.002 A 44 ASN HD2y H 1 7.595 0.020 A 44 ASN HD2x H 1 6.796 0.020 A 44 ASN C C 13 175.970 0.200 A 44 ASN CA C 13 55.457 0.200 A 44 ASN CB C 13 37.507 0.001 A 44 ASN ND2 N 15 112.400 0.200 A 45 ASN H H 1 7.566 0.020 A 45 ASN HA H 1 4.654 0.020 A 45 ASN HBx H 1 2.726 0.005 A 45 ASN HBy H 1 2.955 0.005 A 45 ASN HD2y H 1 7.458 0.005 A 45 ASN HD2x H 1 6.526 0.002 A 45 ASN C C 13 175.461 0.200 A 45 ASN CA C 13 52.769 0.200 A 45 ASN CB C 13 39.203 0.076 A 45 ASN N N 15 115.277 0.200 A 45 ASN ND2 N 15 109.979 0.094 A 46 ASN H H 1 8.008 0.006 A 46 ASN HA H 1 4.649 0.008 A 46 ASN HBy H 1 3.093 0.020 A 46 ASN HBx H 1 2.672 0.020 A 46 ASN HD2y H 1 7.567 0.020 A 46 ASN HD2x H 1 6.871 0.008 A 46 ASN C C 13 174.812 0.010 A 46 ASN CA C 13 54.491 0.200 A 46 ASN CB C 13 39.092 0.041 A 46 ASN N N 15 116.416 0.200 A 46 ASN ND2 N 15 113.088 0.200 A 47 ARG H H 1 7.918 0.002 A 47 ARG HA H 1 4.206 0.020 A 47 ARG HBx H 1 1.678 0.001 A 47 ARG HBy H 1 1.725 0.020 A 47 ARG HDy H 1 3.178 0.020 A 47 ARG HDx H 1 3.097 0.020 A 47 ARG HGx H 1 1.575 0.005 A 47 ARG HGy H 1 1.575 0.005 A 47 ARG C C 13 175.719 0.200 A 47 ARG CA C 13 57.084 0.200 A 47 ARG CB C 13 31.785 0.060 A 47 ARG CD C 13 43.818 0.003 A 47 ARG CG C 13 27.766 0.200 A 47 ARG N N 15 120.017 0.200 A 48 GLN H H 1 8.617 0.003 A 48 GLN HA H 1 5.212 0.020 A 48 GLN HBy H 1 1.955 0.020 A 48 GLN HBx H 1 1.843 0.020 A 48 GLN HE2y H 1 7.476 0.020 A 48 GLN HE2x H 1 6.820 0.007 A 48 GLN HGx H 1 2.085 0.002 A 48 GLN HGy H 1 2.181 0.020 A 48 GLN C C 13 175.697 0.007 A 48 GLN CA C 13 55.454 0.200 A 48 GLN CB C 13 30.953 0.043 A 48 GLN CG C 13 35.396 0.200 A 48 GLN N N 15 123.029 0.200 A 48 GLN NE2 N 15 111.657 0.200 A 49 VAL H H 1 9.009 0.004 A 49 VAL HA H 1 4.747 0.004 A 49 VAL HB H 1 2.137 0.020 A 49 VAL HGx% H 1 0.872 0.020 A 49 VAL HGy% H 1 0.771 0.020 A 49 VAL C C 13 174.561 0.002 A 49 VAL CA C 13 59.266 0.200 A 49 VAL CB C 13 35.845 0.200 A 49 VAL CG1 C 13 21.789 0.200 A 49 VAL CG2 C 13 18.876 0.200 A 49 VAL N N 15 119.358 0.200 A 50 CYS H H 1 8.850 0.020 A 50 CYS HA H 1 5.605 0.020 A 50 CYS HBy H 1 3.688 0.020 A 50 CYS HBx H 1 2.978 0.005 A 50 CYS C C 13 174.469 0.005 A 50 CYS CA C 13 56.377 0.200 A 50 CYS CB C 13 44.694 0.064 A 50 CYS N N 15 120.834 0.200 A 51 ILE H H 1 8.656 0.020 A 51 ILE HA H 1 4.461 0.020 A 51 ILE HB H 1 1.471 0.020 A 51 ILE HD1% H 1 0.641 0.020 A 51 ILE HG1y H 1 1.259 0.020 A 51 ILE HG1x H 1 1.048 0.020 A 51 ILE HG2% H 1 0.674 0.020 A 51 ILE C C 13 174.137 0.036 A 51 ILE CA C 13 59.671 0.200 A 51 ILE CB C 13 39.603 0.200 A 51 ILE CD1 C 13 13.146 0.200 A 51 ILE CG1 C 13 27.463 0.012 A 51 ILE CG2 C 13 18.290 0.200 A 51 ILE N N 15 122.740 0.200 A 52 ASP H H 1 7.746 0.005 A 52 ASP HA H 1 3.650 0.020 A 52 ASP HBx H 1 2.203 0.020 A 52 ASP HBy H 1 2.627 0.020 A 52 ASP CA C 13 51.578 0.200 A 52 ASP CB C 13 42.384 0.020 A 52 ASP N N 15 126.398 0.200 A 53 PRO HA H 1 3.990 0.020 A 53 PRO HBy H 1 1.924 0.020 A 53 PRO HBx H 1 1.770 0.020 A 53 PRO HDx H 1 3.314 0.020 A 53 PRO HDy H 1 3.606 0.020 A 53 PRO HGy H 1 1.778 0.020 A 53 PRO HGx H 1 1.731 0.020 A 53 PRO C C 13 176.274 0.200 A 53 PRO CA C 13 63.546 0.200 A 53 PRO CB C 13 32.272 0.026 A 53 PRO CD C 13 50.927 0.200 A 53 PRO CG C 13 27.303 0.003 A 54 LYS H H 1 8.054 0.020 A 54 LYS HA H 1 3.954 0.020 A 54 LYS HBx H 1 1.680 0.001 A 54 LYS HBy H 1 1.680 0.001 A 54 LYS HDx H 1 1.610 0.020 A 54 LYS HDy H 1 1.610 0.020 A 54 LYS HEx H 1 2.940 0.020 A 54 LYS HEy H 1 2.940 0.020 A 54 LYS HGx H 1 1.276 0.002 A 54 LYS HGy H 1 1.276 0.002 A 54 LYS C C 13 177.867 0.002 A 54 LYS CA C 13 56.189 0.200 A 54 LYS CB C 13 31.680 0.070 A 54 LYS CD C 13 28.756 0.200 A 54 LYS CE C 13 41.473 0.200 A 54 LYS CG C 13 25.035 0.200 A 54 LYS N N 15 115.161 0.200 A 55 LEU H H 1 7.172 0.005 A 55 LEU HA H 1 4.021 0.002 A 55 LEU HBx H 1 1.029 0.020 A 55 LEU HBy H 1 1.226 0.020 A 55 LEU HDx% H 1 1.015 0.020 A 55 LEU HDy% H 1 0.984 0.020 A 55 LEU HG H 1 1.758 0.020 A 55 LEU C C 13 179.221 0.010 A 55 LEU CA C 13 55.781 0.200 A 55 LEU CB C 13 41.739 0.200 A 55 LEU CD1 C 13 25.690 0.200 A 55 LEU CD2 C 13 23.386 0.200 A 55 LEU CG C 13 27.180 0.087 A 55 LEU N N 15 120.921 0.200 A 56 LYS H H 1 8.753 0.006 A 56 LYS HA H 1 3.898 0.020 A 56 LYS HBx H 1 1.971 0.005 A 56 LYS HBy H 1 1.971 0.005 A 56 LYS HDx H 1 1.736 0.020 A 56 LYS HDy H 1 1.736 0.020 A 56 LYS HEx H 1 3.025 0.002 A 56 LYS HEy H 1 3.025 0.002 A 56 LYS HGy H 1 1.553 0.003 A 56 LYS HGx H 1 1.483 0.020 A 56 LYS C C 13 179.161 0.007 A 56 LYS CA C 13 60.318 0.200 A 56 LYS CB C 13 32.100 0.200 A 56 LYS CD C 13 29.092 0.200 A 56 LYS CE C 13 42.327 0.200 A 56 LYS CG C 13 25.042 0.200 A 56 LYS N N 15 125.449 0.200 A 57 TRP H H 1 7.889 0.002 A 57 TRP HA H 1 4.612 0.020 A 57 TRP HBy H 1 3.601 0.020 A 57 TRP HBx H 1 3.268 0.020 A 57 TRP HD1 H 1 7.681 0.002 A 57 TRP HE1 H 1 10.316 0.020 A 57 TRP HE3 H 1 6.580 0.020 A 57 TRP HH2 H 1 6.640 0.020 A 57 TRP HZ2 H 1 6.942 0.020 A 57 TRP HZ3 H 1 7.335 0.020 A 57 TRP C C 13 178.642 0.004 A 57 TRP CA C 13 58.388 0.200 A 57 TRP CB C 13 27.954 0.200 A 57 TRP CD1 C 13 128.405 0.200 A 57 TRP CE3 C 13 121.713 0.200 A 57 TRP CH2 C 13 123.812 0.200 A 57 TRP CZ2 C 13 113.720 0.200 A 57 TRP CZ3 C 13 121.013 0.200 A 57 TRP N N 15 113.858 0.200 A 57 TRP NE1 N 15 130.632 0.200 A 58 ILE H H 1 6.296 0.003 A 58 ILE HA H 1 3.627 0.020 A 58 ILE HB H 1 1.251 0.020 A 58 ILE HD1% H 1 0.106 0.020 A 58 ILE HG1y H 1 0.601 0.020 A 58 ILE HG1x H 1 -0.026 0.020 A 58 ILE HG2% H 1 0.557 0.020 A 58 ILE C C 13 177.104 0.002 A 58 ILE CA C 13 61.605 0.200 A 58 ILE CB C 13 36.043 0.200 A 58 ILE CD1 C 13 11.957 0.200 A 58 ILE CG1 C 13 27.624 0.200 A 58 ILE CG2 C 13 17.769 0.200 A 58 ILE N N 15 123.265 0.200 A 59 GLN H H 1 7.650 0.004 A 59 GLN HA H 1 3.811 0.020 A 59 GLN HBx H 1 2.142 0.020 A 59 GLN HBy H 1 2.142 0.020 A 59 GLN HE2y H 1 7.555 0.005 A 59 GLN HE2x H 1 6.746 0.001 A 59 GLN HGy H 1 2.392 0.004 A 59 GLN HGx H 1 2.315 0.020 A 59 GLN C C 13 178.933 0.009 A 59 GLN CA C 13 59.663 0.200 A 59 GLN CB C 13 27.972 0.200 A 59 GLN CG C 13 34.102 0.200 A 59 GLN N N 15 120.850 0.200 A 59 GLN NE2 N 15 112.913 0.200 A 60 GLU H H 1 8.057 0.006 A 60 GLU HA H 1 4.081 0.020 A 60 GLU HBy H 1 2.171 0.020 A 60 GLU HBx H 1 2.069 0.020 A 60 GLU HGy H 1 2.420 0.020 A 60 GLU HGx H 1 2.240 0.007 A 60 GLU C C 13 178.539 0.015 A 60 GLU CA C 13 59.152 0.200 A 60 GLU CB C 13 29.896 0.200 A 60 GLU CG C 13 36.691 0.200 A 60 GLU N N 15 117.976 0.200 A 61 TYR H H 1 8.004 0.020 A 61 TYR HA H 1 4.216 0.020 A 61 TYR HBy H 1 3.344 0.020 A 61 TYR HBx H 1 3.244 0.020 A 61 TYR HD1 H 1 7.056 0.003 A 61 TYR HD2 H 1 7.056 0.003 A 61 TYR HE1 H 1 6.782 0.007 A 61 TYR HE2 H 1 6.782 0.007 A 61 TYR C C 13 178.157 0.200 A 61 TYR CA C 13 61.281 0.200 A 61 TYR CB C 13 38.956 0.200 A 61 TYR CD1 C 13 132.955 0.200 A 61 TYR CE1 C 13 118.329 0.200 A 61 TYR N N 15 120.743 0.200 A 62 LEU H H 1 8.460 0.004 A 62 LEU HA H 1 3.850 0.020 A 62 LEU HBy H 1 1.895 0.020 A 62 LEU HBx H 1 1.421 0.020 A 62 LEU HDx% H 1 0.789 0.020 A 62 LEU HDy% H 1 0.770 0.020 A 62 LEU HG H 1 1.894 0.020 A 62 LEU C C 13 178.678 0.003 A 62 LEU CA C 13 57.619 0.200 A 62 LEU CB C 13 41.868 0.200 A 62 LEU CD1 C 13 23.237 0.200 A 62 LEU CD2 C 13 25.887 0.200 A 62 LEU CG C 13 26.984 0.200 A 62 LEU N N 15 119.052 0.200 A 63 GLU H H 1 7.850 0.009 A 63 GLU HA H 1 3.974 0.020 A 63 GLU HBy H 1 2.133 0.006 A 63 GLU HBx H 1 2.063 0.002 A 63 GLU HGy H 1 2.395 0.020 A 63 GLU HGx H 1 2.303 0.020 A 63 GLU C C 13 178.447 0.009 A 63 GLU CA C 13 59.143 0.200 A 63 GLU CB C 13 29.721 0.047 A 63 GLU CG C 13 36.502 0.200 A 63 GLU N N 15 118.310 0.200 A 64 LYS H H 1 7.648 0.005 A 64 LYS HA H 1 4.156 0.020 A 64 LYS HBx H 1 1.821 0.020 A 64 LYS HBy H 1 1.821 0.020 A 64 LYS HDx H 1 1.652 0.020 A 64 LYS HDy H 1 1.652 0.020 A 64 LYS HEx H 1 2.973 0.003 A 64 LYS HEy H 1 2.973 0.003 A 64 LYS HGx H 1 1.425 0.020 A 64 LYS HGy H 1 1.533 0.020 A 64 LYS C C 13 177.941 0.005 A 64 LYS CA C 13 57.820 0.062 A 64 LYS CB C 13 32.620 0.200 A 64 LYS CD C 13 29.243 0.200 A 64 LYS CE C 13 42.340 0.200 A 64 LYS CG C 13 25.342 0.026 A 64 LYS N N 15 117.638 0.200 A 65 ALA H H 1 8.004 0.006 A 65 ALA HA H 1 4.068 0.020 A 65 ALA HB% H 1 1.167 0.020 A 65 ALA C C 13 178.624 0.200 A 65 ALA CA C 13 53.790 0.200 A 65 ALA CB C 13 19.082 0.200 A 65 ALA N N 15 121.228 0.200 A 66 LEU H H 1 7.791 0.002 A 66 LEU HA H 1 4.274 0.005 A 66 LEU HBy H 1 1.707 0.020 A 66 LEU HBx H 1 1.561 0.020 A 66 LEU HDx% H 1 0.779 0.001 A 66 LEU HDy% H 1 0.779 0.001 A 66 LEU HG H 1 1.707 0.020 A 66 LEU CA C 13 55.593 0.200 A 66 LEU CB C 13 42.329 0.160 A 66 LEU CD1 C 13 23.740 0.200 A 66 LEU CG C 13 27.178 0.200 A 66 LEU N N 15 116.882 0.200 A 67 ASN H H 1 7.914 0.020 A 67 ASN HA H 1 4.803 0.020 A 67 ASN HBy H 1 2.858 0.020 A 67 ASN HBx H 1 2.746 0.020 A 67 ASN HD2y H 1 7.712 0.020 A 67 ASN HD2x H 1 7.074 0.020 A 67 ASN C C 13 174.039 0.200 A 67 ASN CA C 13 53.434 0.106 A 67 ASN CB C 13 39.601 0.200 A 67 ASN N N 15 118.309 0.200 A 67 ASN ND2 N 15 113.408 0.009 A 68 LYS H H 1 7.694 0.005 A 68 LYS HA H 1 4.158 0.020 A 68 LYS HBy H 1 1.824 0.020 A 68 LYS HBx H 1 1.725 0.020 A 68 LYS HDx H 1 1.659 0.020 A 68 LYS HDy H 1 1.659 0.020 A 68 LYS HEx H 1 2.948 0.020 A 68 LYS HEy H 1 2.948 0.020 A 68 LYS HGx H 1 1.389 0.020 A 68 LYS HGy H 1 1.389 0.020 A 68 LYS C C 13 181.391 0.200 A 68 LYS CA C 13 57.899 0.052 A 68 LYS CB C 13 33.781 0.006 A 68 LYS CD C 13 29.243 0.200 A 68 LYS CE C 13 42.327 0.200 A 68 LYS CG C 13 24.819 0.200 A 68 LYS N N 15 126.177 0.200 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 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 1 LYS HA A 1 LYS HDx 1.0 . 5.50 2 1 A 1 LYS HA A 1 LYS HDy 1.0 . 5.50 3 2 A 1 LYS HA A 1 LYS HEx 1.0 . 5.50 4 2 A 1 LYS HA A 1 LYS HEy 1.0 . 5.50 5 3 A 1 LYS HA A 2 PRO HDy 1.0 . 3.63 6 4 A 1 LYS HA A 2 PRO HDx 1.0 . 3.63 7 5 A 1 LYS HA A 2 PRO HDx 1.0 . 3.06 8 5 A 1 LYS HA A 2 PRO HDy 1.0 . 3.06 9 6 A 1 LYS HBy A 1 LYS HEx 1.0 . 3.11 10 6 A 1 LYS HBx A 1 LYS HEx 1.0 . 3.11 11 6 A 1 LYS HEy A 1 LYS HBy 1.0 . 3.11 12 6 A 1 LYS HEy A 1 LYS HBx 1.0 . 3.11 13 7 A 1 LYS HBx A 2 PRO HDx 1.0 . 3.92 14 7 A 1 LYS HBy A 2 PRO HDx 1.0 . 3.92 15 7 A 2 PRO HDy A 1 LYS HBy 1.0 . 3.92 16 7 A 2 PRO HDy A 1 LYS HBx 1.0 . 3.92 17 8 A 1 LYS HGx A 2 PRO HDx 1.0 . 5.02 18 8 A 2 PRO HDy A 1 LYS HGx 1.0 . 5.02 19 8 A 2 PRO HDy A 1 LYS HGy 1.0 . 5.02 20 8 A 1 LYS HGy A 2 PRO HDx 1.0 . 5.02 21 9 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.50 22 9 A 3 VAL HA A 3 VAL HGy% 1.0 . 3.50 23 10 A 3 VAL HA A 4 SER H 1.0 . 3.49 24 11 A 4 SER H A 4 SER HBx 1.0 . 3.99 25 11 A 4 SER H A 4 SER HBy 1.0 . 3.99 26 12 A 4 SER HA A 5 LEU H 1.0 . 3.32 27 13 A 5 LEU H A 5 LEU HBx 1.0 . 3.51 28 13 A 5 LEU H A 5 LEU HBy 1.0 . 3.51 29 14 A 5 LEU H A 5 LEU HDx% 1.0 . 4.96 30 14 A 5 LEU H A 5 LEU HDy% 1.0 . 4.96 31 15 A 5 LEU HA A 5 LEU HDx% 1.0 . 3.45 32 15 A 5 LEU HDy% A 5 LEU HA 1.0 . 3.45 33 16 A 5 LEU HA A 6 SER H 1.0 . 3.32 34 17 A 5 LEU HBy A 5 LEU HDy% 1.0 . 3.18 35 17 A 5 LEU HBy A 5 LEU HDx% 1.0 . 3.18 36 18 A 5 LEU HDy% A 5 LEU HBx 1.0 . 3.18 37 18 A 5 LEU HBx A 5 LEU HDx% 1.0 . 3.18 38 19 A 5 LEU HG A 5 LEU HBx 1.0 . 2.37 39 19 A 5 LEU HBy A 5 LEU HG 1.0 . 2.37 40 20 A 5 LEU HBx A 5 LEU HDx% 1.0 . 2.75 41 20 A 5 LEU HBy A 5 LEU HDx% 1.0 . 2.75 42 20 A 5 LEU HDy% A 5 LEU HBx 1.0 . 2.75 43 20 A 5 LEU HBy A 5 LEU HDy% 1.0 . 2.75 44 21 A 6 SER H A 6 SER HBx 1.0 . 3.48 45 21 A 6 SER H A 6 SER HBy 1.0 . 3.48 46 22 A 6 SER HA A 7 TYR H 1.0 . 3.41 47 23 A 7 TYR H A 7 TYR HBy 1.0 . 3.70 48 24 A 7 TYR H A 7 TYR HBx 1.0 . 3.70 49 25 A 7 TYR H A 7 TYR HBx 1.0 . 3.17 50 25 A 7 TYR H A 7 TYR HBy 1.0 . 3.17 51 26 A 7 TYR H A 7 TYR HD% 1.0 . 4.05 52 27 A 7 TYR HD% A 7 TYR HA 1.0 . 4.33 53 28 A 7 TYR HA A 7 TYR HE% 1.0 . 5.50 54 29 A 7 TYR HA A 8 ARG H 1.0 . 3.57 55 30 A 8 ARG H A 8 ARG HBy 1.0 . 3.83 56 31 A 8 ARG H A 8 ARG HBx 1.0 . 3.83 57 32 A 8 ARG H A 8 ARG HBy 1.0 . 3.24 58 32 A 8 ARG H A 8 ARG HBx 1.0 . 3.24 59 33 A 8 ARG H A 8 ARG HDx 1.0 . 5.06 60 33 A 8 ARG H A 8 ARG HDy 1.0 . 5.06 61 34 A 8 ARG H A 8 ARG HGx 1.0 . 3.76 62 34 A 8 ARG H A 8 ARG HGy 1.0 . 3.76 63 35 A 8 ARG HA A 8 ARG HDx 1.0 . 4.61 64 35 A 8 ARG HDy A 8 ARG HA 1.0 . 4.61 65 36 A 8 ARG HA A 8 ARG HGx 1.0 . 3.56 66 36 A 8 ARG HGy A 8 ARG HA 1.0 . 3.56 67 37 A 8 ARG HA A 9 CYS H 1.0 . 3.44 68 38 A 8 ARG HGy A 8 ARG HBy 1.0 . 2.81 69 38 A 8 ARG HBy A 8 ARG HGx 1.0 . 2.81 70 39 A 8 ARG HBx A 8 ARG HGy 1.0 . 2.81 71 39 A 8 ARG HBx A 8 ARG HGx 1.0 . 2.81 72 40 A 8 ARG HBx A 8 ARG HDx 1.0 . 3.28 73 40 A 8 ARG HBy A 8 ARG HDx 1.0 . 3.28 74 40 A 8 ARG HDy A 8 ARG HBy 1.0 . 3.28 75 40 A 8 ARG HBx A 8 ARG HDy 1.0 . 3.28 76 41 A 8 ARG HGx A 10 PRO HDx 1.0 . 4.79 77 41 A 10 PRO HDy A 8 ARG HGx 1.0 . 4.79 78 41 A 8 ARG HGy A 10 PRO HDy 1.0 . 4.79 79 41 A 8 ARG HGy A 10 PRO HDx 1.0 . 4.79 80 42 A 9 CYS CB A 34 CYS SG 1.0 . 3.10 81 43 A 9 CYS H A 9 CYS HBx 1.0 . 3.65 82 44 A 9 CYS H A 9 CYS HBy 1.0 . 4.03 83 45 A 9 CYS HA A 10 PRO HDx 1.0 . 2.97 84 45 A 10 PRO HDy A 9 CYS HA 1.0 . 2.97 85 46 A 9 CYS HA A 10 PRO HGx 1.0 . 4.34 86 46 A 9 CYS HA A 10 PRO HGy 1.0 . 4.34 87 47 A 9 CYS HA A 31 THR HB 1.0 . 5.50 88 48 A 9 CYS HA A 31 THR HG2% 1.0 . 4.03 89 49 A 9 CYS HBx A 10 PRO HDx 1.0 . 4.21 90 49 A 10 PRO HDy A 9 CYS HBx 1.0 . 4.21 91 50 A 9 CYS HBx A 37 GLN HE2x 1.0 . 5.50 92 51 A 9 CYS HBy A 10 PRO HDx 1.0 . 3.69 93 51 A 10 PRO HDy A 9 CYS HBy 1.0 . 3.69 94 52 A 9 CYS HBy A 11 CYS H 1.0 . 4.65 95 53 A 9 CYS HBy A 31 THR HG2% 1.0 . 5.49 96 54 A 9 CYS HBy A 37 GLN HE2y 1.0 . 5.41 97 55 A 9 CYS HBy A 37 GLN HE2x 1.0 . 5.35 98 56 A 9 CYS SG A 34 CYS CB 1.0 . 3.10 99 57 A 34 CYS SG A 9 CYS SG 1.0 . 2.10 100 58 A 10 PRO HBy A 29 LEU HG 1.0 . 4.07 101 59 A 10 PRO HBy A 29 LEU HDx% 1.0 . 5.50 102 59 A 10 PRO HBy A 29 LEU HDy% 1.0 . 5.50 103 60 A 11 CYS H A 10 PRO HBx 1.0 . 4.14 104 61 A 10 PRO HBx A 29 LEU HDx% 1.0 . 4.85 105 61 A 29 LEU HDy% A 10 PRO HBx 1.0 . 4.85 106 62 A 11 CYS H A 10 PRO HDx 1.0 . 4.89 107 62 A 10 PRO HDy A 11 CYS H 1.0 . 4.89 108 63 A 10 PRO HDy A 29 LEU HDx% 1.0 . 4.73 109 63 A 29 LEU HDy% A 10 PRO HDx 1.0 . 4.73 110 63 A 10 PRO HDy A 29 LEU HDy% 1.0 . 4.73 111 63 A 10 PRO HDx A 29 LEU HDx% 1.0 . 4.73 112 64 A 37 GLN HE2y A 10 PRO HDx 1.0 . 5.15 113 64 A 10 PRO HDy A 37 GLN HE2y 1.0 . 5.15 114 65 A 37 GLN HE2x A 10 PRO HDx 1.0 . 4.66 115 65 A 10 PRO HDy A 37 GLN HE2x 1.0 . 4.66 116 66 A 11 CYS H A 10 PRO HGx 1.0 . 4.09 117 66 A 10 PRO HGy A 11 CYS H 1.0 . 4.09 118 67 A 10 PRO HGy A 29 LEU HBx 1.0 . 4.48 119 67 A 10 PRO HGx A 29 LEU HBx 1.0 . 4.48 120 67 A 29 LEU HBy A 10 PRO HGx 1.0 . 4.48 121 67 A 10 PRO HGy A 29 LEU HBy 1.0 . 4.48 122 68 A 10 PRO HGy A 29 LEU HDx% 1.0 . 4.14 123 68 A 10 PRO HGx A 29 LEU HDx% 1.0 . 4.14 124 68 A 29 LEU HDy% A 10 PRO HGx 1.0 . 4.14 125 68 A 10 PRO HGy A 29 LEU HDy% 1.0 . 4.14 126 69 A 31 THR HG2% A 10 PRO HGx 1.0 . 4.44 127 69 A 10 PRO HGy A 31 THR HG2% 1.0 . 4.44 128 70 A 37 GLN HE2x A 10 PRO HGx 1.0 . 5.32 129 70 A 10 PRO HGy A 37 GLN HE2x 1.0 . 5.32 130 71 A 11 CYS CB A 50 CYS SG 1.0 . 3.10 131 72 A 11 CYS H A 11 CYS HBy 1.0 . 4.13 132 73 A 11 CYS H A 11 CYS HBx 1.0 . 4.13 133 74 A 11 CYS H A 11 CYS HBx 1.0 . 3.49 134 74 A 11 CYS H A 11 CYS HBy 1.0 . 3.49 135 75 A 11 CYS H A 37 GLN HE2y 1.0 . 5.39 136 76 A 37 GLN HE2x A 11 CYS H 1.0 . 5.50 137 77 A 11 CYS HBy A 14 PHE HE% 1.0 . 5.03 138 78 A 14 PHE HE% A 11 CYS HBx 1.0 . 5.03 139 79 A 14 PHE HD% A 11 CYS HBx 1.0 . 3.66 140 79 A 11 CYS HBy A 14 PHE HD% 1.0 . 3.66 141 80 A 14 PHE HE% A 11 CYS HBx 1.0 . 4.23 142 80 A 11 CYS HBy A 14 PHE HE% 1.0 . 4.23 143 81 A 37 GLN HE2y A 11 CYS HBx 1.0 . 5.33 144 81 A 37 GLN HE2y A 11 CYS HBy 1.0 . 5.33 145 82 A 11 CYS SG A 50 CYS CB 1.0 . 3.10 146 83 A 50 CYS SG A 11 CYS SG 1.0 . 2.10 147 84 A 12 ARG HA A 12 ARG HGy 1.0 . 4.01 148 85 A 12 ARG HA A 12 ARG HGx 1.0 . 4.01 149 86 A 12 ARG HA A 12 ARG HDx 1.0 . 4.14 150 86 A 12 ARG HA A 12 ARG HDy 1.0 . 4.14 151 87 A 12 ARG HDy A 12 ARG HBy 1.0 . 3.50 152 87 A 12 ARG HBy A 12 ARG HDx 1.0 . 3.50 153 88 A 12 ARG HDy A 12 ARG HBx 1.0 . 3.50 154 88 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.50 155 89 A 12 ARG HBy A 12 ARG HGx 1.0 . 2.37 156 89 A 12 ARG HGy A 12 ARG HBy 1.0 . 2.37 157 89 A 12 ARG HBx A 12 ARG HGy 1.0 . 2.37 158 89 A 12 ARG HBx A 12 ARG HGx 1.0 . 2.37 159 90 A 13 PHE H A 12 ARG HBy 1.0 . 3.71 160 90 A 12 ARG HBx A 13 PHE H 1.0 . 3.71 161 91 A 13 PHE HD% A 12 ARG HBy 1.0 . 4.60 162 91 A 12 ARG HBx A 13 PHE HD% 1.0 . 4.60 163 92 A 13 PHE H A 13 PHE HBy 1.0 . 4.17 164 93 A 13 PHE H A 13 PHE HBx 1.0 . 4.17 165 94 A 13 PHE H A 13 PHE HBx 1.0 . 3.42 166 94 A 13 PHE H A 13 PHE HBy 1.0 . 3.42 167 95 A 13 PHE H A 13 PHE HD% 1.0 . 4.69 168 96 A 13 PHE H A 13 PHE HE% 1.0 . 4.42 169 97 A 13 PHE HD% A 13 PHE HA 1.0 . 4.36 170 98 A 13 PHE HA A 14 PHE H 1.0 . 3.07 171 99 A 13 PHE HBy A 14 PHE H 1.0 . 4.48 172 100 A 14 PHE H A 13 PHE HBx 1.0 . 4.48 173 101 A 14 PHE H A 13 PHE HBx 1.0 . 3.77 174 101 A 13 PHE HBy A 14 PHE H 1.0 . 3.77 175 102 A 13 PHE HD% A 14 PHE H 1.0 . 5.50 176 103 A 14 PHE H A 14 PHE HBx 1.0 . 4.01 177 104 A 14 PHE H A 14 PHE HBy 1.0 . 3.94 178 105 A 14 PHE HD% A 14 PHE H 1.0 . 4.69 179 106 A 14 PHE H A 15 GLU H 1.0 . 5.50 180 107 A 14 PHE HD% A 14 PHE HA 1.0 . 4.79 181 108 A 14 PHE HA A 50 CYS HBy 1.0 . 4.25 182 109 A 14 PHE HA A 50 CYS HBx 1.0 . 4.67 183 110 A 14 PHE HA A 51 ILE HG1y 1.0 . 5.50 184 111 A 14 PHE HBx A 50 CYS HBy 1.0 . 4.46 185 112 A 14 PHE HBx A 52 ASP H 1.0 . 4.70 186 113 A 14 PHE HBx A 52 ASP HA 1.0 . 4.14 187 114 A 14 PHE HBx A 52 ASP HBx 1.0 . 4.66 188 115 A 14 PHE HBy A 15 GLU H 1.0 . 3.89 189 116 A 14 PHE HBy A 50 CYS HBy 1.0 . 4.62 190 117 A 14 PHE HBy A 52 ASP H 1.0 . 4.55 191 118 A 14 PHE HBy A 52 ASP HA 1.0 . 4.21 192 119 A 14 PHE HBy A 52 ASP HBx 1.0 . 4.46 193 120 A 14 PHE HD% A 50 CYS HBy 1.0 . 4.31 194 121 A 14 PHE HD% A 50 CYS HBx 1.0 . 4.61 195 122 A 14 PHE HD% A 51 ILE H 1.0 . 5.50 196 123 A 14 PHE HD% A 52 ASP H 1.0 . 5.42 197 124 A 14 PHE HD% A 52 ASP HA 1.0 . 4.59 198 125 A 14 PHE HD% A 52 ASP HBx 1.0 . 5.02 199 126 A 14 PHE HD% A 52 ASP HBy 1.0 . 5.50 200 127 A 14 PHE HD% A 53 PRO HDx 1.0 . 5.36 201 128 A 14 PHE HD% A 53 PRO HDy 1.0 . 5.50 202 129 A 14 PHE HD% A 53 PRO HGy 1.0 . 5.35 203 129 A 14 PHE HD% A 53 PRO HGx 1.0 . 5.35 204 130 A 14 PHE HE% A 37 GLN HGx 1.0 . 4.55 205 131 A 14 PHE HE% A 50 CYS HBy 1.0 . 4.97 206 132 A 14 PHE HE% A 50 CYS HBx 1.0 . 4.89 207 133 A 14 PHE HE% A 52 ASP HA 1.0 . 5.22 208 134 A 14 PHE HE% A 52 ASP HBx 1.0 . 5.48 209 135 A 14 PHE HE% A 53 PRO HDx 1.0 . 5.50 210 136 A 14 PHE HE% A 53 PRO HDy 1.0 . 5.50 211 137 A 15 GLU H A 15 GLU HBy 1.0 . 3.84 212 138 A 15 GLU H A 15 GLU HBx 1.0 . 3.84 213 139 A 15 GLU H A 15 GLU HGy 1.0 . 4.27 214 140 A 15 GLU H A 15 GLU HGx 1.0 . 4.27 215 141 A 15 GLU H A 18 VAL HGx% 1.0 . 5.30 216 141 A 15 GLU H A 18 VAL HGy% 1.0 . 5.30 217 142 A 15 GLU H A 50 CYS HBy 1.0 . 5.01 218 143 A 15 GLU H A 50 CYS HBx 1.0 . 5.41 219 144 A 15 GLU H A 51 ILE H 1.0 . 5.50 220 145 A 15 GLU H A 51 ILE HA 1.0 . 4.28 221 146 A 15 GLU H A 51 ILE HD1% 1.0 . 5.50 222 147 A 15 GLU H A 51 ILE HG2% 1.0 . 4.87 223 148 A 15 GLU H A 52 ASP H 1.0 . 4.77 224 149 A 15 GLU HA A 16 SER H 1.0 . 3.27 225 150 A 15 GLU HA A 18 VAL HGx% 1.0 . 4.71 226 150 A 18 VAL HGy% A 15 GLU HA 1.0 . 4.71 227 151 A 15 GLU HA A 49 VAL HB 1.0 . 5.50 228 152 A 15 GLU HA A 49 VAL HGy% 1.0 . 5.50 229 153 A 16 SER H A 15 GLU HBy 1.0 . 5.29 230 154 A 18 VAL HGy% A 15 GLU HBy 1.0 . 3.90 231 154 A 15 GLU HBy A 18 VAL HGx% 1.0 . 3.90 232 155 A 49 VAL HGy% A 15 GLU HBy 1.0 . 4.69 233 156 A 16 SER H A 15 GLU HBx 1.0 . 5.29 234 157 A 18 VAL HGy% A 15 GLU HBx 1.0 . 3.90 235 157 A 15 GLU HBx A 18 VAL HGx% 1.0 . 3.90 236 158 A 49 VAL HGy% A 15 GLU HBx 1.0 . 4.69 237 159 A 18 VAL HGy% A 15 GLU HGy 1.0 . 3.70 238 159 A 15 GLU HGy A 18 VAL HGx% 1.0 . 3.70 239 160 A 18 VAL HGy% A 15 GLU HGx 1.0 . 3.70 240 160 A 15 GLU HGx A 18 VAL HGx% 1.0 . 3.70 241 161 A 15 GLU HBy A 18 VAL HGx% 1.0 . 3.34 242 161 A 18 VAL HGy% A 15 GLU HBy 1.0 . 3.34 243 161 A 18 VAL HGy% A 15 GLU HBx 1.0 . 3.34 244 161 A 15 GLU HBx A 18 VAL HGx% 1.0 . 3.34 245 162 A 40 ALA HB% A 15 GLU HBy 1.0 . 5.34 246 162 A 15 GLU HBx A 40 ALA HB% 1.0 . 5.34 247 163 A 49 VAL HGy% A 15 GLU HBy 1.0 . 4.11 248 163 A 49 VAL HGy% A 15 GLU HBx 1.0 . 4.11 249 164 A 51 ILE HG1x A 15 GLU HBy 1.0 . 5.34 250 164 A 15 GLU HBx A 51 ILE HG1x 1.0 . 5.34 251 165 A 51 ILE HG2% A 15 GLU HBy 1.0 . 4.81 252 165 A 51 ILE HG2% A 15 GLU HBx 1.0 . 4.81 253 166 A 16 SER H A 15 GLU HGx 1.0 . 4.42 254 166 A 16 SER H A 15 GLU HGy 1.0 . 4.42 255 167 A 49 VAL HGy% A 15 GLU HGx 1.0 . 4.89 256 167 A 49 VAL HGy% A 15 GLU HGy 1.0 . 4.89 257 168 A 16 SER H A 16 SER HBx 1.0 . 3.63 258 168 A 16 SER H A 16 SER HBy 1.0 . 3.63 259 169 A 52 ASP HBx A 16 SER HA 1.0 . 4.35 260 170 A 52 ASP HBy A 16 SER HA 1.0 . 4.32 261 171 A 16 SER HA A 55 LEU HDx% 1.0 . 4.07 262 172 A 16 SER HA A 55 LEU HDy% 1.0 . 4.14 263 173 A 16 SER HBy A 55 LEU HDy% 1.0 . 4.55 264 174 A 55 LEU HDy% A 16 SER HBx 1.0 . 4.55 265 175 A 52 ASP HBx A 16 SER HBx 1.0 . 5.29 266 175 A 52 ASP HBx A 16 SER HBy 1.0 . 5.29 267 176 A 52 ASP HBy A 16 SER HBx 1.0 . 5.34 268 176 A 52 ASP HBy A 16 SER HBy 1.0 . 5.34 269 177 A 55 LEU HDx% A 16 SER HBx 1.0 . 5.34 270 177 A 16 SER HBy A 55 LEU HDx% 1.0 . 5.34 271 178 A 55 LEU HDy% A 16 SER HBx 1.0 . 3.89 272 178 A 16 SER HBy A 55 LEU HDy% 1.0 . 3.89 273 179 A 17 HIS H A 18 VAL H 1.0 . 4.13 274 180 A 17 HIS HA A 17 HIS HE1 1.0 . 5.50 275 181 A 18 VAL H A 17 HIS HA 1.0 . 3.54 276 182 A 18 VAL H A 17 HIS HBy 1.0 . 5.13 277 183 A 18 VAL H A 17 HIS HBx 1.0 . 5.13 278 184 A 18 VAL H A 17 HIS HBx 1.0 . 4.41 279 184 A 18 VAL H A 17 HIS HBy 1.0 . 4.41 280 185 A 18 VAL H A 18 VAL HB 1.0 . 3.80 281 186 A 18 VAL H A 18 VAL HGx% 1.0 . 4.41 282 186 A 18 VAL HGy% A 18 VAL H 1.0 . 4.41 283 187 A 18 VAL H A 19 ALA H 1.0 . 4.86 284 188 A 51 ILE HG2% A 18 VAL H 1.0 . 5.03 285 189 A 18 VAL HA A 18 VAL HGx% 1.0 . 3.20 286 189 A 18 VAL HGy% A 18 VAL HA 1.0 . 3.20 287 190 A 19 ALA H A 18 VAL HA 1.0 . 3.03 288 191 A 51 ILE HD1% A 18 VAL HA 1.0 . 5.48 289 192 A 55 LEU HDx% A 18 VAL HA 1.0 . 5.13 290 193 A 55 LEU HDy% A 18 VAL HA 1.0 . 5.50 291 194 A 18 VAL HB A 19 ALA H 1.0 . 4.96 292 195 A 51 ILE HG1y A 18 VAL HB 1.0 . 4.74 293 196 A 51 ILE HD1% A 18 VAL HB 1.0 . 4.39 294 197 A 51 ILE HG2% A 18 VAL HB 1.0 . 3.99 295 198 A 55 LEU HDx% A 18 VAL HB 1.0 . 4.14 296 199 A 18 VAL HB A 57 TRP HD1 1.0 . 5.01 297 200 A 18 VAL HB A 57 TRP HE1 1.0 . 5.35 298 201 A 18 VAL HB A 57 TRP HH2 1.0 . 5.50 299 202 A 18 VAL HB A 57 TRP HZ2 1.0 . 5.01 300 203 A 19 ALA H A 18 VAL HGx% 1.0 . 4.17 301 203 A 18 VAL HGy% A 19 ALA H 1.0 . 4.17 302 204 A 22 ASN HD2y A 18 VAL HGx% 1.0 . 4.88 303 204 A 18 VAL HGy% A 22 ASN HD2y 1.0 . 4.88 304 205 A 22 ASN HD2x A 18 VAL HGx% 1.0 . 5.28 305 205 A 18 VAL HGy% A 22 ASN HD2x 1.0 . 5.28 306 206 A 51 ILE HB A 18 VAL HGx% 1.0 . 4.45 307 206 A 18 VAL HGy% A 51 ILE HB 1.0 . 4.45 308 207 A 51 ILE HG2% A 18 VAL HGx% 1.0 . 3.77 309 207 A 18 VAL HGy% A 51 ILE HG2% 1.0 . 3.77 310 208 A 57 TRP HZ2 A 18 VAL HGx% 1.0 . 3.67 311 208 A 18 VAL HGy% A 57 TRP HZ2 1.0 . 3.67 312 209 A 19 ALA H A 19 ALA HB% 1.0 . 3.35 313 210 A 19 ALA H A 20 ARG H 1.0 . 5.20 314 211 A 19 ALA H A 22 ASN H 1.0 . 4.47 315 212 A 19 ALA H A 22 ASN HBy 1.0 . 4.83 316 213 A 19 ALA H A 22 ASN HBx 1.0 . 4.83 317 214 A 19 ALA H A 22 ASN HD2y 1.0 . 5.40 318 215 A 19 ALA H A 22 ASN HD2x 1.0 . 5.50 319 216 A 20 ARG H A 19 ALA HA 1.0 . 3.14 320 217 A 19 ALA HA A 20 ARG HBx 1.0 . 5.16 321 218 A 19 ALA HA A 20 ARG HBy 1.0 . 5.11 322 219 A 19 ALA HA A 21 ALA H 1.0 . 4.79 323 220 A 22 ASN H A 19 ALA HA 1.0 . 4.92 324 221 A 19 ALA HA A 22 ASN HBx 1.0 . 5.34 325 221 A 19 ALA HA A 22 ASN HBy 1.0 . 5.34 326 222 A 57 TRP HD1 A 19 ALA HA 1.0 . 5.48 327 223 A 57 TRP HE1 A 19 ALA HA 1.0 . 4.12 328 224 A 57 TRP HZ2 A 19 ALA HA 1.0 . 5.50 329 225 A 19 ALA HB% A 20 ARG H 1.0 . 3.60 330 226 A 19 ALA HB% A 20 ARG HBx 1.0 . 5.49 331 227 A 19 ALA HB% A 21 ALA H 1.0 . 4.27 332 228 A 19 ALA HB% A 22 ASN H 1.0 . 3.42 333 229 A 19 ALA HB% A 22 ASN HBy 1.0 . 4.37 334 230 A 19 ALA HB% A 22 ASN HBx 1.0 . 4.37 335 231 A 22 ASN HD2y A 19 ALA HB% 1.0 . 4.52 336 232 A 22 ASN HD2x A 19 ALA HB% 1.0 . 4.68 337 233 A 19 ALA HB% A 22 ASN HBx 1.0 . 3.75 338 233 A 19 ALA HB% A 22 ASN HBy 1.0 . 3.75 339 234 A 20 ARG H A 20 ARG HBx 1.0 . 3.51 340 235 A 20 ARG H A 20 ARG HBy 1.0 . 3.71 341 236 A 20 ARG H A 20 ARG HDx 1.0 . 4.51 342 236 A 20 ARG H A 20 ARG HDy 1.0 . 4.51 343 237 A 20 ARG H A 20 ARG HGy 1.0 . 4.15 344 237 A 20 ARG H A 20 ARG HGx 1.0 . 4.15 345 238 A 20 ARG H A 21 ALA H 1.0 . 3.49 346 239 A 57 TRP HZ2 A 20 ARG H 1.0 . 5.50 347 240 A 20 ARG HA A 20 ARG HDx 1.0 . 3.97 348 240 A 20 ARG HDy A 20 ARG HA 1.0 . 3.97 349 241 A 20 ARG HA A 20 ARG HGy 1.0 . 3.73 350 241 A 20 ARG HGx A 20 ARG HA 1.0 . 3.73 351 242 A 20 ARG HA A 23 VAL H 1.0 . 4.89 352 243 A 20 ARG HA A 23 VAL HB 1.0 . 5.50 353 244 A 20 ARG HA A 23 VAL HGx% 1.0 . 3.61 354 244 A 20 ARG HA A 23 VAL HGy% 1.0 . 3.61 355 245 A 57 TRP HH2 A 20 ARG HA 1.0 . 4.93 356 246 A 57 TRP HZ2 A 20 ARG HA 1.0 . 4.92 357 247 A 20 ARG HBx A 20 ARG HDx 1.0 . 3.70 358 247 A 20 ARG HBx A 20 ARG HDy 1.0 . 3.70 359 248 A 20 ARG HBx A 21 ALA H 1.0 . 4.46 360 249 A 20 ARG HBx A 57 TRP HBy 1.0 . 5.47 361 250 A 20 ARG HBx A 57 TRP HBx 1.0 . 5.50 362 251 A 57 TRP HE1 A 20 ARG HBx 1.0 . 5.50 363 252 A 57 TRP HH2 A 20 ARG HBx 1.0 . 5.50 364 253 A 20 ARG HBx A 57 TRP HZ3 1.0 . 5.50 365 254 A 20 ARG HBy A 20 ARG HDx 1.0 . 3.51 366 254 A 20 ARG HBy A 20 ARG HDy 1.0 . 3.51 367 255 A 20 ARG HBy A 20 ARG HGy 1.0 . 2.57 368 255 A 20 ARG HBy A 20 ARG HGx 1.0 . 2.57 369 256 A 20 ARG HBy A 21 ALA H 1.0 . 4.10 370 257 A 20 ARG HBy A 57 TRP HBy 1.0 . 5.50 371 258 A 20 ARG HBy A 57 TRP HBx 1.0 . 5.50 372 259 A 20 ARG HBy A 57 TRP HZ3 1.0 . 5.50 373 260 A 21 ALA H A 20 ARG HDx 1.0 . 4.99 374 260 A 21 ALA H A 20 ARG HDy 1.0 . 4.99 375 261 A 20 ARG HDy A 26 LEU HDx% 1.0 . 5.32 376 261 A 20 ARG HDx A 26 LEU HDx% 1.0 . 5.32 377 262 A 20 ARG HDy A 26 LEU HDy% 1.0 . 5.32 378 262 A 26 LEU HDy% A 20 ARG HDx 1.0 . 5.32 379 263 A 20 ARG HDy A 26 LEU HDx% 1.0 . 4.69 380 263 A 26 LEU HDy% A 20 ARG HDx 1.0 . 4.69 381 263 A 20 ARG HDy A 26 LEU HDy% 1.0 . 4.69 382 263 A 20 ARG HDx A 26 LEU HDx% 1.0 . 4.69 383 264 A 57 TRP HBy A 20 ARG HDx 1.0 . 4.80 384 264 A 20 ARG HDy A 57 TRP HBy 1.0 . 4.80 385 265 A 57 TRP HBx A 20 ARG HDx 1.0 . 5.15 386 265 A 20 ARG HDy A 57 TRP HBx 1.0 . 5.15 387 266 A 57 TRP HE3 A 20 ARG HDx 1.0 . 4.28 388 266 A 20 ARG HDy A 57 TRP HE3 1.0 . 4.28 389 267 A 57 TRP HH2 A 20 ARG HDx 1.0 . 4.31 390 267 A 57 TRP HH2 A 20 ARG HDy 1.0 . 4.31 391 268 A 57 TRP HZ2 A 20 ARG HDx 1.0 . 5.50 392 268 A 57 TRP HZ2 A 20 ARG HDy 1.0 . 5.50 393 269 A 57 TRP HZ3 A 20 ARG HDx 1.0 . 4.36 394 269 A 20 ARG HDy A 57 TRP HZ3 1.0 . 4.36 395 270 A 58 ILE HD1% A 20 ARG HDx 1.0 . 5.50 396 270 A 20 ARG HDy A 58 ILE HD1% 1.0 . 5.50 397 271 A 21 ALA H A 20 ARG HGy 1.0 . 4.42 398 271 A 21 ALA H A 20 ARG HGx 1.0 . 4.42 399 272 A 57 TRP HBy A 20 ARG HGy 1.0 . 5.34 400 272 A 20 ARG HGx A 57 TRP HBy 1.0 . 5.34 401 273 A 57 TRP HE3 A 20 ARG HGy 1.0 . 5.09 402 273 A 20 ARG HGx A 57 TRP HE3 1.0 . 5.09 403 274 A 21 ALA H A 21 ALA HB% 1.0 . 3.01 404 275 A 22 ASN H A 21 ALA H 1.0 . 3.62 405 276 A 21 ALA H A 23 VAL H 1.0 . 5.29 406 277 A 23 VAL H A 21 ALA HA 1.0 . 4.65 407 278 A 22 ASN H A 21 ALA HB% 1.0 . 3.71 408 279 A 23 VAL H A 21 ALA HB% 1.0 . 4.85 409 280 A 22 ASN H A 22 ASN HBy 1.0 . 3.49 410 281 A 22 ASN H A 22 ASN HBx 1.0 . 3.49 411 282 A 22 ASN H A 23 VAL H 1.0 . 3.18 412 283 A 22 ASN H A 43 LYS HDx 1.0 . 5.37 413 283 A 22 ASN H A 43 LYS HDy 1.0 . 5.37 414 284 A 22 ASN HD2y A 22 ASN HA 1.0 . 4.89 415 285 A 22 ASN HA A 43 LYS HBy 1.0 . 4.28 416 286 A 22 ASN HBy A 23 VAL H 1.0 . 4.97 417 287 A 22 ASN HBy A 42 LEU HDy% 1.0 . 4.40 418 288 A 23 VAL H A 22 ASN HBx 1.0 . 4.97 419 289 A 42 LEU HDy% A 22 ASN HBx 1.0 . 4.40 420 290 A 22 ASN HD2y A 42 LEU HBy 1.0 . 5.50 421 291 A 22 ASN HD2y A 42 LEU HG 1.0 . 5.30 422 292 A 22 ASN HD2y A 42 LEU HDx% 1.0 . 4.93 423 293 A 22 ASN HD2y A 42 LEU HDy% 1.0 . 4.71 424 294 A 22 ASN HD2y A 43 LYS H 1.0 . 5.40 425 295 A 22 ASN HD2x A 42 LEU HBy 1.0 . 5.50 426 296 A 22 ASN HD2x A 42 LEU HG 1.0 . 4.91 427 297 A 22 ASN HD2x A 42 LEU HDx% 1.0 . 4.97 428 298 A 22 ASN HD2x A 42 LEU HDy% 1.0 . 4.73 429 299 A 23 VAL H A 22 ASN HBx 1.0 . 4.26 430 299 A 22 ASN HBy A 23 VAL H 1.0 . 4.26 431 300 A 42 LEU HDx% A 22 ASN HBx 1.0 . 4.46 432 300 A 22 ASN HBy A 42 LEU HDx% 1.0 . 4.46 433 301 A 42 LEU HDy% A 22 ASN HBx 1.0 . 3.69 434 301 A 22 ASN HBy A 42 LEU HDy% 1.0 . 3.69 435 302 A 23 VAL H A 23 VAL HB 1.0 . 3.43 436 303 A 23 VAL H A 23 VAL HGx% 1.0 . 3.32 437 303 A 23 VAL H A 23 VAL HGy% 1.0 . 3.32 438 304 A 23 VAL H A 42 LEU HDy% 1.0 . 4.88 439 305 A 23 VAL H A 43 LYS H 1.0 . 5.46 440 306 A 23 VAL H A 43 LYS HDx 1.0 . 5.21 441 306 A 23 VAL H A 43 LYS HDy 1.0 . 5.21 442 307 A 57 TRP HH2 A 23 VAL H 1.0 . 5.50 443 308 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.56 444 308 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.56 445 309 A 23 VAL HA A 24 LYS H 1.0 . 3.46 446 310 A 40 ALA HB% A 23 VAL HA 1.0 . 4.67 447 311 A 23 VAL HA A 42 LEU H 1.0 . 5.50 448 312 A 23 VAL HA A 42 LEU HA 1.0 . 4.27 449 313 A 42 LEU HDy% A 23 VAL HA 1.0 . 3.53 450 314 A 43 LYS H A 23 VAL HA 1.0 . 4.11 451 315 A 23 VAL HA A 43 LYS HDx 1.0 . 5.50 452 315 A 43 LYS HDy A 23 VAL HA 1.0 . 5.50 453 316 A 23 VAL HA A 43 LYS HGx 1.0 . 5.34 454 316 A 23 VAL HA A 43 LYS HGy 1.0 . 5.34 455 317 A 23 VAL HB A 24 LYS H 1.0 . 4.34 456 318 A 40 ALA HB% A 23 VAL HB 1.0 . 3.97 457 319 A 23 VAL HB A 42 LEU HA 1.0 . 5.37 458 320 A 57 TRP HH2 A 23 VAL HB 1.0 . 5.39 459 321 A 24 LYS H A 23 VAL HGx% 1.0 . 3.86 460 321 A 23 VAL HGy% A 24 LYS H 1.0 . 3.86 461 322 A 40 ALA HA A 23 VAL HGx% 1.0 . 4.60 462 322 A 23 VAL HGy% A 40 ALA HA 1.0 . 4.60 463 323 A 40 ALA HB% A 23 VAL HGx% 1.0 . 2.81 464 323 A 40 ALA HB% A 23 VAL HGy% 1.0 . 2.81 465 324 A 41 ARG HA A 23 VAL HGx% 1.0 . 5.11 466 324 A 23 VAL HGy% A 41 ARG HA 1.0 . 5.11 467 325 A 41 ARG HBy A 23 VAL HGx% 1.0 . 5.49 468 325 A 23 VAL HGy% A 41 ARG HBy 1.0 . 5.49 469 326 A 41 ARG HBx A 23 VAL HGx% 1.0 . 5.50 470 326 A 23 VAL HGy% A 41 ARG HBx 1.0 . 5.50 471 327 A 57 TRP HH2 A 23 VAL HGx% 1.0 . 3.68 472 327 A 57 TRP HH2 A 23 VAL HGy% 1.0 . 3.68 473 328 A 57 TRP HZ2 A 23 VAL HGx% 1.0 . 4.10 474 328 A 57 TRP HZ2 A 23 VAL HGy% 1.0 . 4.10 475 329 A 57 TRP HZ3 A 23 VAL HGx% 1.0 . 5.30 476 329 A 23 VAL HGy% A 57 TRP HZ3 1.0 . 5.30 477 330 A 24 LYS H A 24 LYS HBy 1.0 . 3.94 478 331 A 24 LYS H A 24 LYS HBx 1.0 . 3.94 479 332 A 24 LYS H A 24 LYS HDx 1.0 . 5.50 480 332 A 24 LYS H A 24 LYS HDy 1.0 . 5.50 481 333 A 24 LYS H A 24 LYS HEx 1.0 . 5.34 482 333 A 24 LYS H A 24 LYS HEy 1.0 . 5.34 483 334 A 24 LYS H A 24 LYS HGx 1.0 . 4.22 484 334 A 24 LYS H A 24 LYS HGy 1.0 . 4.22 485 335 A 24 LYS H A 25 HIS H 1.0 . 3.60 486 336 A 24 LYS H A 41 ARG H 1.0 . 4.55 487 337 A 24 LYS H A 41 ARG HBy 1.0 . 5.50 488 338 A 24 LYS H A 41 ARG HBx 1.0 . 5.50 489 339 A 24 LYS H A 42 LEU HA 1.0 . 4.31 490 340 A 42 LEU HDy% A 24 LYS H 1.0 . 4.24 491 341 A 43 LYS H A 24 LYS H 1.0 . 4.50 492 342 A 24 LYS HEy A 24 LYS HA 1.0 . 4.67 493 343 A 24 LYS HA A 24 LYS HEx 1.0 . 4.67 494 344 A 24 LYS HA A 24 LYS HDx 1.0 . 4.92 495 344 A 24 LYS HDy A 24 LYS HA 1.0 . 4.92 496 345 A 24 LYS HA A 24 LYS HEx 1.0 . 4.03 497 345 A 24 LYS HEy A 24 LYS HA 1.0 . 4.03 498 346 A 24 LYS HA A 24 LYS HGx 1.0 . 3.95 499 346 A 24 LYS HGy A 24 LYS HA 1.0 . 3.95 500 347 A 24 LYS HA A 43 LYS HA 1.0 . 5.50 501 348 A 43 LYS HBy A 24 LYS HA 1.0 . 5.50 502 349 A 24 LYS HA A 43 LYS HDx 1.0 . 5.50 503 349 A 43 LYS HDy A 24 LYS HA 1.0 . 5.50 504 350 A 25 HIS H A 24 LYS HBy 1.0 . 4.15 505 351 A 43 LYS HA A 24 LYS HBy 1.0 . 4.42 506 352 A 25 HIS H A 24 LYS HBx 1.0 . 4.15 507 353 A 43 LYS HA A 24 LYS HBx 1.0 . 4.42 508 354 A 24 LYS HEy A 25 HIS HD2 1.0 . 5.50 509 355 A 25 HIS HD2 A 24 LYS HEx 1.0 . 5.50 510 356 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.16 511 356 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.16 512 356 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.16 513 356 A 24 LYS HEy A 24 LYS HBy 1.0 . 4.16 514 357 A 25 HIS H A 24 LYS HBx 1.0 . 3.43 515 357 A 25 HIS H A 24 LYS HBy 1.0 . 3.43 516 358 A 43 LYS H A 24 LYS HBx 1.0 . 5.34 517 358 A 43 LYS H A 24 LYS HBy 1.0 . 5.34 518 359 A 43 LYS HA A 24 LYS HBx 1.0 . 3.87 519 359 A 43 LYS HA A 24 LYS HBy 1.0 . 3.87 520 360 A 25 HIS HD2 A 24 LYS HDx 1.0 . 4.30 521 360 A 24 LYS HDy A 25 HIS HD2 1.0 . 4.30 522 361 A 43 LYS HA A 24 LYS HDx 1.0 . 4.18 523 361 A 24 LYS HDy A 43 LYS HA 1.0 . 4.18 524 362 A 41 ARG HBx A 24 LYS HEx 1.0 . 5.34 525 362 A 41 ARG HBx A 24 LYS HEy 1.0 . 5.34 526 363 A 24 LYS HEx A 43 LYS HGx 1.0 . 4.46 527 363 A 24 LYS HEy A 43 LYS HGx 1.0 . 4.46 528 363 A 43 LYS HGy A 24 LYS HEx 1.0 . 4.46 529 363 A 43 LYS HGy A 24 LYS HEy 1.0 . 4.46 530 364 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.92 531 364 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.92 532 365 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.92 533 365 A 24 LYS HEx A 24 LYS HGx 1.0 . 3.92 534 366 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.26 535 366 A 24 LYS HEx A 24 LYS HGx 1.0 . 3.26 536 366 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.26 537 366 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.26 538 367 A 25 HIS H A 24 LYS HGx 1.0 . 4.69 539 367 A 24 LYS HGy A 25 HIS H 1.0 . 4.69 540 368 A 25 HIS HBx A 24 LYS HGx 1.0 . 5.28 541 368 A 24 LYS HGy A 25 HIS HBx 1.0 . 5.28 542 369 A 25 HIS HD2 A 24 LYS HGx 1.0 . 5.18 543 369 A 24 LYS HGy A 25 HIS HD2 1.0 . 5.18 544 370 A 24 LYS HGx A 41 ARG HDx 1.0 . 4.91 545 370 A 24 LYS HGy A 41 ARG HDx 1.0 . 4.91 546 370 A 41 ARG HDy A 24 LYS HGx 1.0 . 4.91 547 370 A 24 LYS HGy A 41 ARG HDy 1.0 . 4.91 548 371 A 43 LYS HA A 24 LYS HGx 1.0 . 3.84 549 371 A 24 LYS HGy A 43 LYS HA 1.0 . 3.84 550 372 A 25 HIS H A 25 HIS HD2 1.0 . 5.50 551 373 A 40 ALA HA A 25 HIS H 1.0 . 5.50 552 374 A 40 ALA HB% A 25 HIS H 1.0 . 5.34 553 375 A 25 HIS H A 41 ARG H 1.0 . 4.08 554 376 A 41 ARG HBy A 25 HIS H 1.0 . 5.37 555 377 A 41 ARG HBx A 25 HIS H 1.0 . 5.25 556 378 A 41 ARG H A 25 HIS HBx 1.0 . 4.93 557 379 A 41 ARG H A 25 HIS HBy 1.0 . 4.75 558 380 A 41 ARG HBy A 25 HIS HBy 1.0 . 4.09 559 381 A 41 ARG HBx A 25 HIS HBy 1.0 . 4.14 560 382 A 25 HIS HD2 A 27 LYS HBx 1.0 . 4.39 561 383 A 25 HIS HD2 A 27 LYS HBy 1.0 . 5.50 562 384 A 25 HIS HD2 A 27 LYS HGx 1.0 . 5.00 563 384 A 25 HIS HD2 A 27 LYS HGy 1.0 . 5.00 564 385 A 27 LYS HBx A 25 HIS HE1 1.0 . 4.62 565 386 A 27 LYS HBy A 25 HIS HE1 1.0 . 5.50 566 387 A 25 HIS HE1 A 27 LYS HGx 1.0 . 5.50 567 387 A 27 LYS HGy A 25 HIS HE1 1.0 . 5.50 568 388 A 26 LEU H A 26 LEU HG 1.0 . 5.50 569 389 A 26 LEU HA A 26 LEU HDx% 1.0 . 4.84 570 390 A 26 LEU HDy% A 26 LEU HA 1.0 . 4.84 571 391 A 26 LEU HA A 26 LEU HDx% 1.0 . 3.98 572 391 A 26 LEU HDy% A 26 LEU HA 1.0 . 3.98 573 392 A 26 LEU HA A 27 LYS H 1.0 . 3.48 574 393 A 40 ALA HA A 26 LEU HA 1.0 . 3.85 575 394 A 40 ALA HB% A 26 LEU HA 1.0 . 3.64 576 395 A 41 ARG H A 26 LEU HA 1.0 . 4.65 577 396 A 51 ILE HD1% A 26 LEU HA 1.0 . 5.22 578 397 A 26 LEU HBy A 26 LEU HDx% 1.0 . 4.10 579 398 A 26 LEU HDy% A 26 LEU HBy 1.0 . 4.10 580 399 A 27 LYS H A 26 LEU HBy 1.0 . 4.81 581 400 A 40 ALA HA A 26 LEU HBy 1.0 . 5.50 582 401 A 26 LEU HBy A 61 TYR HE% 1.0 . 5.50 583 402 A 26 LEU HBx A 26 LEU HDx% 1.0 . 4.00 584 403 A 26 LEU HDy% A 26 LEU HBx 1.0 . 4.00 585 404 A 27 LYS H A 26 LEU HBx 1.0 . 4.59 586 405 A 61 TYR HE% A 26 LEU HBx 1.0 . 5.50 587 406 A 26 LEU HG A 27 LYS H 1.0 . 5.41 588 407 A 27 LYS H A 26 LEU HDx% 1.0 . 5.50 589 408 A 40 ALA HB% A 26 LEU HDx% 1.0 . 4.26 590 409 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 4.78 591 410 A 61 TYR HD% A 26 LEU HDx% 1.0 . 5.50 592 411 A 61 TYR HE% A 26 LEU HDx% 1.0 . 5.50 593 412 A 26 LEU HDy% A 27 LYS H 1.0 . 5.50 594 413 A 40 ALA HB% A 26 LEU HDy% 1.0 . 4.26 595 414 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 4.78 596 415 A 26 LEU HDy% A 61 TYR HD% 1.0 . 5.50 597 416 A 26 LEU HDy% A 61 TYR HE% 1.0 . 5.50 598 417 A 27 LYS H A 26 LEU HDx% 1.0 . 4.81 599 417 A 26 LEU HDy% A 27 LYS H 1.0 . 4.81 600 418 A 40 ALA HA A 26 LEU HDx% 1.0 . 4.37 601 418 A 26 LEU HDy% A 40 ALA HA 1.0 . 4.37 602 419 A 40 ALA HB% A 26 LEU HDx% 1.0 . 2.85 603 419 A 40 ALA HB% A 26 LEU HDy% 1.0 . 2.85 604 420 A 51 ILE HD1% A 26 LEU HDx% 1.0 . 2.40 605 420 A 51 ILE HD1% A 26 LEU HDy% 1.0 . 2.40 606 421 A 57 TRP HZ3 A 26 LEU HDx% 1.0 . 5.44 607 421 A 57 TRP HZ3 A 26 LEU HDy% 1.0 . 5.44 608 422 A 58 ILE HA A 26 LEU HDx% 1.0 . 5.44 609 422 A 26 LEU HDy% A 58 ILE HA 1.0 . 5.44 610 423 A 61 TYR HBx A 26 LEU HDx% 1.0 . 5.44 611 423 A 26 LEU HDy% A 61 TYR HBx 1.0 . 5.44 612 424 A 61 TYR HD% A 26 LEU HDx% 1.0 . 4.81 613 424 A 26 LEU HDy% A 61 TYR HD% 1.0 . 4.81 614 425 A 61 TYR HE% A 26 LEU HDx% 1.0 . 4.61 615 425 A 26 LEU HDy% A 61 TYR HE% 1.0 . 4.61 616 426 A 27 LYS H A 27 LYS HDx 1.0 . 5.18 617 426 A 27 LYS H A 27 LYS HDy 1.0 . 5.18 618 427 A 27 LYS H A 27 LYS HGx 1.0 . 4.37 619 427 A 27 LYS HGy A 27 LYS H 1.0 . 4.37 620 428 A 27 LYS H A 38 ILE HG2% 1.0 . 4.24 621 429 A 27 LYS H A 39 VAL H 1.0 . 4.13 622 430 A 27 LYS H A 39 VAL HB 1.0 . 4.49 623 431 A 27 LYS H A 39 VAL HGx% 1.0 . 4.22 624 431 A 27 LYS H A 39 VAL HGy% 1.0 . 4.22 625 432 A 40 ALA HA A 27 LYS H 1.0 . 4.71 626 433 A 40 ALA HB% A 27 LYS H 1.0 . 3.97 627 434 A 27 LYS HA A 27 LYS HDx 1.0 . 4.70 628 434 A 27 LYS HDy A 27 LYS HA 1.0 . 4.70 629 435 A 27 LYS HA A 27 LYS HEx 1.0 . 5.18 630 435 A 27 LYS HA A 27 LYS HEy 1.0 . 5.18 631 436 A 27 LYS HA A 27 LYS HGx 1.0 . 3.98 632 436 A 27 LYS HGy A 27 LYS HA 1.0 . 3.98 633 437 A 39 VAL HB A 27 LYS HA 1.0 . 5.50 634 438 A 27 LYS HBx A 27 LYS HEx 1.0 . 3.32 635 438 A 27 LYS HBx A 27 LYS HEy 1.0 . 3.32 636 439 A 27 LYS HBx A 27 LYS HGx 1.0 . 2.67 637 439 A 27 LYS HBx A 27 LYS HGy 1.0 . 2.67 638 440 A 27 LYS HBx A 28 ILE H 1.0 . 4.51 639 441 A 27 LYS HBx A 39 VAL H 1.0 . 5.50 640 442 A 27 LYS HBx A 39 VAL HB 1.0 . 4.01 641 443 A 27 LYS HBx A 39 VAL HGx% 1.0 . 4.01 642 443 A 27 LYS HBx A 39 VAL HGy% 1.0 . 4.01 643 444 A 27 LYS HBy A 27 LYS HEx 1.0 . 3.72 644 444 A 27 LYS HBy A 27 LYS HEy 1.0 . 3.72 645 445 A 27 LYS HBy A 28 ILE H 1.0 . 4.53 646 446 A 27 LYS HBy A 39 VAL H 1.0 . 5.50 647 447 A 27 LYS HBy A 39 VAL HB 1.0 . 4.07 648 448 A 27 LYS HBy A 39 VAL HGx% 1.0 . 3.92 649 448 A 27 LYS HBy A 39 VAL HGy% 1.0 . 3.92 650 449 A 28 ILE H A 27 LYS HDx 1.0 . 5.50 651 449 A 27 LYS HDy A 28 ILE H 1.0 . 5.50 652 450 A 27 LYS HDy A 27 LYS HGx 1.0 . 2.63 653 450 A 27 LYS HDx A 27 LYS HGx 1.0 . 2.63 654 450 A 27 LYS HGy A 27 LYS HDx 1.0 . 2.63 655 450 A 27 LYS HGy A 27 LYS HDy 1.0 . 2.63 656 451 A 27 LYS HEy A 27 LYS HGx 1.0 . 3.40 657 451 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.40 658 451 A 27 LYS HGy A 27 LYS HEx 1.0 . 3.40 659 451 A 27 LYS HGy A 27 LYS HEy 1.0 . 3.40 660 452 A 28 ILE H A 27 LYS HGx 1.0 . 4.43 661 452 A 27 LYS HGy A 28 ILE H 1.0 . 4.43 662 453 A 28 ILE H A 28 ILE HB 1.0 . 3.51 663 454 A 28 ILE H A 28 ILE HG1y 1.0 . 4.41 664 455 A 28 ILE H A 28 ILE HG1x 1.0 . 4.42 665 456 A 28 ILE H A 28 ILE HD1% 1.0 . 4.29 666 457 A 28 ILE H A 28 ILE HG2% 1.0 . 4.05 667 458 A 28 ILE HD1% A 28 ILE HA 1.0 . 4.50 668 459 A 28 ILE HG2% A 28 ILE HA 1.0 . 3.95 669 460 A 28 ILE HA A 38 ILE HA 1.0 . 3.87 670 461 A 28 ILE HA A 38 ILE HB 1.0 . 4.97 671 462 A 28 ILE HA A 38 ILE HG1y 1.0 . 4.93 672 463 A 28 ILE HA A 38 ILE HG1x 1.0 . 5.29 673 464 A 28 ILE HA A 38 ILE HD1% 1.0 . 4.86 674 465 A 38 ILE HG2% A 28 ILE HA 1.0 . 4.30 675 466 A 39 VAL H A 28 ILE HA 1.0 . 4.47 676 467 A 28 ILE HB A 28 ILE HG1y 1.0 . 2.98 677 468 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.63 678 469 A 28 ILE HB A 38 ILE HA 1.0 . 4.42 679 470 A 39 VAL H A 28 ILE HB 1.0 . 5.40 680 471 A 28 ILE HG1y A 38 ILE HA 1.0 . 4.50 681 472 A 28 ILE HG1y A 38 ILE HB 1.0 . 4.09 682 473 A 28 ILE HG1y A 38 ILE HG1y 1.0 . 3.60 683 474 A 28 ILE HG1y A 38 ILE HD1% 1.0 . 3.95 684 475 A 38 ILE HG2% A 28 ILE HG1y 1.0 . 3.90 685 476 A 39 VAL H A 28 ILE HG1y 1.0 . 5.50 686 477 A 61 TYR HE% A 28 ILE HG1y 1.0 . 5.50 687 478 A 28 ILE HG1x A 38 ILE HA 1.0 . 4.24 688 479 A 28 ILE HG1x A 38 ILE HG1y 1.0 . 3.69 689 480 A 38 ILE HG2% A 28 ILE HG1x 1.0 . 4.08 690 481 A 39 VAL H A 28 ILE HG1x 1.0 . 5.44 691 482 A 61 TYR HE% A 28 ILE HG1x 1.0 . 5.50 692 483 A 28 ILE HD1% A 38 ILE HA 1.0 . 4.11 693 484 A 28 ILE HD1% A 38 ILE HG1y 1.0 . 4.10 694 485 A 28 ILE HD1% A 38 ILE HD1% 1.0 . 2.50 695 486 A 38 ILE HG2% A 28 ILE HD1% 1.0 . 3.08 696 487 A 39 VAL H A 28 ILE HD1% 1.0 . 5.32 697 488 A 28 ILE HD1% A 53 PRO HA 1.0 . 5.37 698 489 A 58 ILE HD1% A 28 ILE HD1% 1.0 . 4.12 699 490 A 61 TYR HD% A 28 ILE HD1% 1.0 . 5.50 700 491 A 61 TYR HE% A 28 ILE HD1% 1.0 . 4.85 701 492 A 28 ILE HG1y A 28 ILE HG2% 1.0 . 3.17 702 493 A 28 ILE HG1x A 28 ILE HG2% 1.0 . 3.56 703 494 A 28 ILE HG2% A 36 LEU HA 1.0 . 4.89 704 495 A 28 ILE HG2% A 38 ILE HA 1.0 . 3.65 705 496 A 28 ILE HG2% A 38 ILE HB 1.0 . 3.98 706 497 A 28 ILE HG2% A 38 ILE HG1y 1.0 . 3.43 707 498 A 39 VAL H A 28 ILE HG2% 1.0 . 4.20 708 499 A 61 TYR HE% A 28 ILE HG2% 1.0 . 5.50 709 500 A 29 LEU HG A 29 LEU H 1.0 . 4.76 710 501 A 29 LEU H A 29 LEU HDx% 1.0 . 4.70 711 501 A 29 LEU HDy% A 29 LEU H 1.0 . 4.70 712 502 A 29 LEU H A 37 GLN H 1.0 . 5.45 713 503 A 38 ILE HA A 29 LEU H 1.0 . 5.11 714 504 A 29 LEU HA A 29 LEU HDx% 1.0 . 3.50 715 504 A 29 LEU HDy% A 29 LEU HA 1.0 . 3.50 716 505 A 29 LEU HG A 37 GLN H 1.0 . 5.28 717 506 A 29 LEU HBx A 29 LEU HDx% 1.0 . 3.09 718 506 A 29 LEU HBy A 29 LEU HDx% 1.0 . 3.09 719 506 A 29 LEU HDy% A 29 LEU HBx 1.0 . 3.09 720 506 A 29 LEU HDy% A 29 LEU HBy 1.0 . 3.09 721 507 A 30 ASN H A 29 LEU HBx 1.0 . 4.59 722 507 A 29 LEU HBy A 30 ASN H 1.0 . 4.59 723 508 A 37 GLN H A 29 LEU HBx 1.0 . 4.37 724 508 A 29 LEU HBy A 37 GLN H 1.0 . 4.37 725 509 A 37 GLN HBy A 29 LEU HBx 1.0 . 4.03 726 509 A 29 LEU HBy A 37 GLN HBy 1.0 . 4.03 727 510 A 37 GLN HE2y A 29 LEU HBx 1.0 . 5.26 728 510 A 37 GLN HE2y A 29 LEU HBy 1.0 . 5.26 729 511 A 37 GLN HE2x A 29 LEU HBx 1.0 . 5.50 730 511 A 37 GLN HE2x A 29 LEU HBy 1.0 . 5.50 731 512 A 37 GLN HGx A 29 LEU HBx 1.0 . 5.50 732 512 A 29 LEU HBy A 37 GLN HGx 1.0 . 5.50 733 513 A 37 GLN HGy A 29 LEU HBx 1.0 . 5.48 734 513 A 29 LEU HBy A 37 GLN HGy 1.0 . 5.48 735 514 A 30 ASN H A 29 LEU HDx% 1.0 . 5.07 736 514 A 29 LEU HDy% A 30 ASN H 1.0 . 5.07 737 515 A 30 ASN HD2y A 29 LEU HDx% 1.0 . 5.05 738 515 A 29 LEU HDy% A 30 ASN HD2y 1.0 . 5.05 739 516 A 30 ASN HD2x A 29 LEU HDx% 1.0 . 5.39 740 516 A 29 LEU HDy% A 30 ASN HD2x 1.0 . 5.39 741 517 A 31 THR H A 29 LEU HDx% 1.0 . 5.50 742 517 A 29 LEU HDy% A 31 THR H 1.0 . 5.50 743 518 A 30 ASN H A 30 ASN HBy 1.0 . 4.12 744 519 A 30 ASN HD2y A 30 ASN HA 1.0 . 5.50 745 520 A 31 THR H A 30 ASN HA 1.0 . 3.47 746 521 A 36 LEU HA A 30 ASN HA 1.0 . 5.14 747 522 A 30 ASN HA A 36 LEU HDx% 1.0 . 4.17 748 522 A 30 ASN HA A 36 LEU HDy% 1.0 . 4.17 749 523 A 37 GLN H A 30 ASN HA 1.0 . 5.08 750 524 A 31 THR H A 30 ASN HBy 1.0 . 5.50 751 525 A 30 ASN HBy A 36 LEU HBx 1.0 . 5.08 752 526 A 30 ASN HBy A 36 LEU HDx% 1.0 . 4.30 753 526 A 30 ASN HBy A 36 LEU HDy% 1.0 . 4.30 754 527 A 31 THR H A 30 ASN HBx 1.0 . 5.32 755 528 A 36 LEU HBx A 30 ASN HBx 1.0 . 5.50 756 529 A 30 ASN HBx A 36 LEU HDx% 1.0 . 4.28 757 529 A 36 LEU HDy% A 30 ASN HBx 1.0 . 4.28 758 530 A 31 THR HG2% A 31 THR H 1.0 . 4.42 759 531 A 31 THR H A 34 CYS H 1.0 . 4.83 760 532 A 31 THR H A 34 CYS HBy 1.0 . 5.50 761 533 A 31 THR H A 34 CYS HBx 1.0 . 5.50 762 534 A 31 THR H A 35 ALA H 1.0 . 5.04 763 535 A 31 THR H A 35 ALA HA 1.0 . 5.48 764 536 A 37 GLN HE2y A 31 THR H 1.0 . 5.50 765 537 A 37 GLN HE2x A 31 THR H 1.0 . 5.50 766 538 A 31 THR HG2% A 31 THR HA 1.0 . 3.79 767 539 A 31 THR HA A 32 PRO HDx 1.0 . 3.51 768 540 A 31 THR HA A 32 PRO HDy 1.0 . 3.12 769 541 A 31 THR HB A 32 PRO HDx 1.0 . 4.13 770 542 A 31 THR HB A 34 CYS H 1.0 . 5.50 771 543 A 31 THR HB A 34 CYS HBy 1.0 . 4.62 772 544 A 31 THR HB A 34 CYS HBx 1.0 . 4.24 773 545 A 31 THR HB A 37 GLN HE2y 1.0 . 5.26 774 546 A 31 THR HB A 37 GLN HE2x 1.0 . 5.21 775 547 A 31 THR HG2% A 32 PRO HDx 1.0 . 3.77 776 548 A 31 THR HG2% A 32 PRO HDy 1.0 . 3.41 777 549 A 31 THR HG2% A 33 ASN H 1.0 . 5.30 778 550 A 31 THR HG2% A 34 CYS H 1.0 . 4.40 779 551 A 31 THR HG2% A 34 CYS HBy 1.0 . 4.94 780 552 A 31 THR HG2% A 34 CYS HBx 1.0 . 4.79 781 553 A 31 THR HG2% A 37 GLN HE2x 1.0 . 5.50 782 554 A 32 PRO HBy A 33 ASN HD2y 1.0 . 5.50 783 555 A 32 PRO HBy A 33 ASN HD2x 1.0 . 5.50 784 556 A 33 ASN H A 32 PRO HBx 1.0 . 4.59 785 557 A 33 ASN HD2y A 32 PRO HBx 1.0 . 5.20 786 558 A 33 ASN HD2x A 32 PRO HBx 1.0 . 5.50 787 559 A 32 PRO HDx A 33 ASN H 1.0 . 5.14 788 560 A 32 PRO HDy A 33 ASN H 1.0 . 5.50 789 561 A 33 ASN H A 32 PRO HGy 1.0 . 5.50 790 562 A 33 ASN H A 32 PRO HGx 1.0 . 5.50 791 563 A 33 ASN H A 32 PRO HGy 1.0 . 4.75 792 563 A 33 ASN H A 32 PRO HGx 1.0 . 4.75 793 564 A 33 ASN H A 33 ASN HBx 1.0 . 4.21 794 565 A 33 ASN H A 33 ASN HD2y 1.0 . 5.50 795 566 A 33 ASN H A 33 ASN HD2x 1.0 . 5.50 796 567 A 34 CYS H A 33 ASN H 1.0 . 3.73 797 568 A 33 ASN H A 35 ALA HB% 1.0 . 5.50 798 569 A 33 ASN HD2y A 33 ASN HA 1.0 . 5.19 799 570 A 34 CYS H A 34 CYS HBy 1.0 . 4.11 800 571 A 34 CYS H A 34 CYS HBx 1.0 . 3.71 801 572 A 34 CYS H A 35 ALA H 1.0 . 4.02 802 573 A 35 ALA H A 34 CYS HA 1.0 . 3.48 803 574 A 34 CYS HBy A 35 ALA H 1.0 . 3.84 804 575 A 37 GLN HE2y A 34 CYS HBy 1.0 . 4.98 805 576 A 37 GLN HE2x A 34 CYS HBy 1.0 . 5.31 806 577 A 34 CYS HBx A 35 ALA H 1.0 . 4.29 807 578 A 37 GLN HE2y A 34 CYS HBx 1.0 . 4.98 808 579 A 37 GLN HE2x A 34 CYS HBx 1.0 . 5.19 809 580 A 37 GLN HGy A 34 CYS HBx 1.0 . 5.14 810 581 A 35 ALA H A 35 ALA HB% 1.0 . 3.13 811 582 A 35 ALA H A 36 LEU H 1.0 . 5.06 812 583 A 35 ALA HA A 36 LEU H 1.0 . 3.26 813 584 A 35 ALA HB% A 36 LEU H 1.0 . 3.24 814 585 A 37 GLN HE2y A 35 ALA HB% 1.0 . 4.72 815 586 A 37 GLN HE2x A 35 ALA HB% 1.0 . 5.30 816 587 A 36 LEU HBx A 36 LEU H 1.0 . 3.78 817 588 A 36 LEU H A 36 LEU HBy 1.0 . 3.54 818 589 A 36 LEU H A 36 LEU HG 1.0 . 3.72 819 590 A 36 LEU H A 36 LEU HDx% 1.0 . 4.59 820 591 A 36 LEU HDy% A 36 LEU H 1.0 . 4.59 821 592 A 36 LEU H A 36 LEU HDx% 1.0 . 3.97 822 592 A 36 LEU HDy% A 36 LEU H 1.0 . 3.97 823 593 A 36 LEU HA A 36 LEU HDx% 1.0 . 3.91 824 594 A 36 LEU HA A 36 LEU HDy% 1.0 . 3.91 825 595 A 36 LEU HA A 36 LEU HDx% 1.0 . 3.41 826 595 A 36 LEU HA A 36 LEU HDy% 1.0 . 3.41 827 596 A 36 LEU HBy A 36 LEU HDx% 1.0 . 3.36 828 597 A 36 LEU HDy% A 36 LEU HBy 1.0 . 3.36 829 598 A 36 LEU HBy A 36 LEU HDx% 1.0 . 2.88 830 598 A 36 LEU HDy% A 36 LEU HBy 1.0 . 2.88 831 599 A 37 GLN H A 36 LEU HDx% 1.0 . 4.03 832 599 A 37 GLN H A 36 LEU HDy% 1.0 . 4.03 833 600 A 53 PRO HA A 36 LEU HDx% 1.0 . 4.31 834 600 A 53 PRO HA A 36 LEU HDy% 1.0 . 4.31 835 601 A 36 LEU HDy% A 53 PRO HGy 1.0 . 3.00 836 601 A 36 LEU HDx% A 53 PRO HGy 1.0 . 3.00 837 601 A 53 PRO HGx A 36 LEU HDx% 1.0 . 3.00 838 601 A 53 PRO HGx A 36 LEU HDy% 1.0 . 3.00 839 602 A 37 GLN HE2y A 37 GLN H 1.0 . 5.50 840 603 A 37 GLN HE2x A 37 GLN H 1.0 . 5.50 841 604 A 37 GLN HGx A 37 GLN H 1.0 . 4.88 842 605 A 37 GLN H A 37 GLN HGy 1.0 . 4.78 843 606 A 37 GLN HE2y A 37 GLN HBy 1.0 . 4.86 844 607 A 37 GLN HE2x A 37 GLN HBy 1.0 . 5.25 845 608 A 37 GLN HBy A 37 GLN HGy 1.0 . 2.98 846 609 A 37 GLN HBy A 38 ILE H 1.0 . 5.46 847 610 A 37 GLN HBy A 39 VAL HGx% 1.0 . 4.96 848 610 A 39 VAL HGy% A 37 GLN HBy 1.0 . 4.96 849 611 A 37 GLN HE2y A 37 GLN HBx 1.0 . 5.04 850 612 A 38 ILE H A 37 GLN HBx 1.0 . 5.01 851 613 A 38 ILE HB A 38 ILE H 1.0 . 4.05 852 614 A 38 ILE HG1y A 38 ILE H 1.0 . 4.40 853 615 A 38 ILE HG1x A 38 ILE H 1.0 . 5.11 854 616 A 38 ILE HD1% A 38 ILE H 1.0 . 4.75 855 617 A 38 ILE HG2% A 38 ILE H 1.0 . 4.55 856 618 A 51 ILE H A 38 ILE H 1.0 . 5.50 857 619 A 38 ILE HA A 38 ILE HD1% 1.0 . 3.80 858 620 A 38 ILE HG2% A 38 ILE HA 1.0 . 3.35 859 621 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.17 860 622 A 39 VAL H A 38 ILE HB 1.0 . 5.50 861 623 A 51 ILE H A 38 ILE HB 1.0 . 4.60 862 624 A 51 ILE HB A 38 ILE HB 1.0 . 3.66 863 625 A 51 ILE HG1y A 38 ILE HB 1.0 . 5.50 864 626 A 51 ILE HG1x A 38 ILE HB 1.0 . 4.67 865 627 A 51 ILE HG2% A 38 ILE HB 1.0 . 4.88 866 628 A 38 ILE HB A 53 PRO HA 1.0 . 5.50 867 629 A 58 ILE HD1% A 38 ILE HB 1.0 . 5.14 868 630 A 38 ILE HG1y A 53 PRO HA 1.0 . 5.50 869 631 A 38 ILE HG1x A 53 PRO HA 1.0 . 5.50 870 632 A 52 ASP HA A 38 ILE HD1% 1.0 . 5.36 871 633 A 52 ASP HBx A 38 ILE HD1% 1.0 . 5.09 872 634 A 52 ASP HBy A 38 ILE HD1% 1.0 . 4.97 873 635 A 38 ILE HD1% A 53 PRO HA 1.0 . 3.75 874 636 A 53 PRO HDy A 38 ILE HD1% 1.0 . 4.93 875 637 A 38 ILE HD1% A 54 LYS H 1.0 . 5.50 876 638 A 58 ILE HD1% A 38 ILE HD1% 1.0 . 3.63 877 639 A 61 TYR HD% A 38 ILE HD1% 1.0 . 4.51 878 640 A 61 TYR HE% A 38 ILE HD1% 1.0 . 5.50 879 641 A 38 ILE HG2% A 38 ILE HG1y 1.0 . 3.53 880 642 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 3.73 881 643 A 38 ILE HG2% A 38 ILE HD1% 1.0 . 2.40 882 644 A 38 ILE HG2% A 39 VAL H 1.0 . 4.34 883 645 A 51 ILE H A 38 ILE HG2% 1.0 . 4.45 884 646 A 38 ILE HG2% A 53 PRO HA 1.0 . 5.50 885 647 A 58 ILE HD1% A 38 ILE HG2% 1.0 . 3.45 886 648 A 39 VAL H A 39 VAL HB 1.0 . 3.94 887 649 A 39 VAL H A 39 VAL HGx% 1.0 . 3.59 888 649 A 39 VAL H A 39 VAL HGy% 1.0 . 3.59 889 650 A 39 VAL H A 40 ALA H 1.0 . 5.50 890 651 A 39 VAL HA A 39 VAL HGx% 1.0 . 3.62 891 651 A 39 VAL HGy% A 39 VAL HA 1.0 . 3.62 892 652 A 40 ALA H A 39 VAL HA 1.0 . 3.34 893 653 A 39 VAL HA A 50 CYS HA 1.0 . 3.99 894 654 A 51 ILE H A 39 VAL HA 1.0 . 4.44 895 655 A 51 ILE HG1y A 39 VAL HA 1.0 . 5.50 896 656 A 51 ILE HG1x A 39 VAL HA 1.0 . 5.45 897 657 A 39 VAL HB A 40 ALA H 1.0 . 4.15 898 658 A 39 VAL HB A 50 CYS HA 1.0 . 5.50 899 659 A 40 ALA H A 39 VAL HGx% 1.0 . 3.78 900 659 A 39 VAL HGy% A 40 ALA H 1.0 . 3.78 901 660 A 48 GLN HA A 39 VAL HGx% 1.0 . 4.46 902 660 A 39 VAL HGy% A 48 GLN HA 1.0 . 4.46 903 661 A 48 GLN HE2y A 39 VAL HGx% 1.0 . 4.15 904 661 A 39 VAL HGy% A 48 GLN HE2y 1.0 . 4.15 905 662 A 48 GLN HE2x A 39 VAL HGx% 1.0 . 4.45 906 662 A 39 VAL HGy% A 48 GLN HE2x 1.0 . 4.45 907 663 A 48 GLN HGx A 39 VAL HGx% 1.0 . 3.99 908 663 A 39 VAL HGy% A 48 GLN HGx 1.0 . 3.99 909 664 A 48 GLN HGy A 39 VAL HGx% 1.0 . 3.77 910 664 A 39 VAL HGy% A 48 GLN HGy 1.0 . 3.77 911 665 A 50 CYS HA A 39 VAL HGx% 1.0 . 4.19 912 665 A 39 VAL HGy% A 50 CYS HA 1.0 . 4.19 913 666 A 50 CYS HBy A 39 VAL HGx% 1.0 . 5.36 914 666 A 50 CYS HBy A 39 VAL HGy% 1.0 . 5.36 915 667 A 50 CYS HBx A 39 VAL HGx% 1.0 . 5.41 916 667 A 50 CYS HBx A 39 VAL HGy% 1.0 . 5.41 917 668 A 51 ILE H A 39 VAL HGx% 1.0 . 4.68 918 668 A 51 ILE H A 39 VAL HGy% 1.0 . 4.68 919 669 A 40 ALA HB% A 40 ALA H 1.0 . 3.35 920 670 A 40 ALA H A 48 GLN HA 1.0 . 5.11 921 671 A 40 ALA H A 48 GLN HGx 1.0 . 5.50 922 672 A 40 ALA H A 48 GLN HGy 1.0 . 5.50 923 673 A 40 ALA H A 49 VAL H 1.0 . 3.97 924 674 A 49 VAL HGy% A 40 ALA H 1.0 . 4.65 925 675 A 40 ALA H A 50 CYS HA 1.0 . 4.81 926 676 A 51 ILE H A 40 ALA H 1.0 . 5.36 927 677 A 51 ILE HG1y A 40 ALA H 1.0 . 5.50 928 678 A 51 ILE HG1x A 40 ALA H 1.0 . 5.49 929 679 A 51 ILE HD1% A 40 ALA H 1.0 . 4.80 930 680 A 40 ALA HA A 41 ARG H 1.0 . 3.43 931 681 A 51 ILE HD1% A 40 ALA HA 1.0 . 5.50 932 682 A 40 ALA HB% A 41 ARG H 1.0 . 3.42 933 683 A 40 ALA HB% A 49 VAL H 1.0 . 5.04 934 684 A 49 VAL HGy% A 40 ALA HB% 1.0 . 4.23 935 685 A 40 ALA HB% A 50 CYS HA 1.0 . 5.50 936 686 A 40 ALA HB% A 51 ILE HG1x 1.0 . 2.80 937 687 A 51 ILE HD1% A 40 ALA HB% 1.0 . 2.95 938 688 A 40 ALA HB% A 57 TRP HH2 1.0 . 5.00 939 689 A 40 ALA HB% A 57 TRP HZ2 1.0 . 5.08 940 690 A 41 ARG HBy A 41 ARG H 1.0 . 3.78 941 691 A 41 ARG HBx A 41 ARG H 1.0 . 3.88 942 692 A 41 ARG H A 41 ARG HGy 1.0 . 3.71 943 693 A 41 ARG H A 41 ARG HDx 1.0 . 4.67 944 693 A 41 ARG H A 41 ARG HDy 1.0 . 4.67 945 694 A 42 LEU H A 41 ARG H 1.0 . 5.27 946 695 A 41 ARG HA A 41 ARG HDx 1.0 . 3.83 947 695 A 41 ARG HA A 41 ARG HDy 1.0 . 3.83 948 696 A 42 LEU H A 41 ARG HA 1.0 . 3.39 949 697 A 41 ARG HA A 48 GLN HA 1.0 . 3.46 950 698 A 41 ARG HA A 48 GLN HGx 1.0 . 4.82 951 699 A 41 ARG HA A 48 GLN HGy 1.0 . 4.69 952 700 A 41 ARG HA A 49 VAL H 1.0 . 4.58 953 701 A 41 ARG HBy A 41 ARG HDx 1.0 . 4.01 954 701 A 41 ARG HBy A 41 ARG HDy 1.0 . 4.01 955 702 A 42 LEU H A 41 ARG HBy 1.0 . 4.12 956 703 A 41 ARG HBy A 48 GLN HA 1.0 . 5.25 957 704 A 41 ARG HBx A 41 ARG HDx 1.0 . 2.99 958 704 A 41 ARG HBx A 41 ARG HDy 1.0 . 2.99 959 705 A 42 LEU H A 41 ARG HBx 1.0 . 4.15 960 706 A 41 ARG HBx A 46 ASN HA 1.0 . 5.26 961 707 A 41 ARG HBx A 48 GLN HA 1.0 . 5.50 962 708 A 42 LEU H A 41 ARG HGx 1.0 . 4.15 963 709 A 48 GLN HA A 41 ARG HGx 1.0 . 4.45 964 710 A 42 LEU H A 41 ARG HGy 1.0 . 3.96 965 711 A 41 ARG HGy A 47 ARG HA 1.0 . 4.87 966 712 A 48 GLN HA A 41 ARG HGy 1.0 . 4.33 967 713 A 41 ARG HGy A 48 GLN HBy 1.0 . 4.23 968 714 A 48 GLN HGx A 41 ARG HGy 1.0 . 4.31 969 715 A 48 GLN HGy A 41 ARG HGy 1.0 . 4.27 970 716 A 42 LEU H A 41 ARG HDx 1.0 . 4.68 971 716 A 42 LEU H A 41 ARG HDy 1.0 . 4.68 972 717 A 46 ASN HA A 41 ARG HDx 1.0 . 3.99 973 717 A 41 ARG HDy A 46 ASN HA 1.0 . 3.99 974 718 A 46 ASN HD2y A 41 ARG HDx 1.0 . 5.50 975 718 A 41 ARG HDy A 46 ASN HD2y 1.0 . 5.50 976 719 A 46 ASN HD2x A 41 ARG HDx 1.0 . 5.14 977 719 A 41 ARG HDy A 46 ASN HD2x 1.0 . 5.14 978 720 A 47 ARG H A 41 ARG HDx 1.0 . 5.50 979 720 A 41 ARG HDy A 47 ARG H 1.0 . 5.50 980 721 A 47 ARG HA A 41 ARG HDx 1.0 . 5.50 981 721 A 41 ARG HDy A 47 ARG HA 1.0 . 5.50 982 722 A 48 GLN H A 41 ARG HDx 1.0 . 5.16 983 722 A 41 ARG HDy A 48 GLN H 1.0 . 5.16 984 723 A 48 GLN HA A 41 ARG HDx 1.0 . 4.00 985 723 A 41 ARG HDy A 48 GLN HA 1.0 . 4.00 986 724 A 48 GLN HBy A 41 ARG HDx 1.0 . 4.60 987 724 A 41 ARG HDy A 48 GLN HBy 1.0 . 4.60 988 725 A 48 GLN HBx A 41 ARG HDx 1.0 . 4.22 989 725 A 41 ARG HDy A 48 GLN HBx 1.0 . 4.22 990 726 A 48 GLN HGx A 41 ARG HDx 1.0 . 4.40 991 726 A 41 ARG HDy A 48 GLN HGx 1.0 . 4.40 992 727 A 48 GLN HGy A 41 ARG HDx 1.0 . 4.26 993 727 A 41 ARG HDy A 48 GLN HGy 1.0 . 4.26 994 728 A 42 LEU HBy A 42 LEU H 1.0 . 3.99 995 729 A 42 LEU HG A 42 LEU H 1.0 . 3.60 996 730 A 42 LEU HDx% A 42 LEU H 1.0 . 4.44 997 731 A 42 LEU HDy% A 42 LEU H 1.0 . 3.89 998 732 A 43 LYS H A 42 LEU H 1.0 . 5.04 999 733 A 42 LEU H A 47 ARG H 1.0 . 4.35 1000 734 A 42 LEU H A 47 ARG HBx 1.0 . 5.27 1001 735 A 42 LEU H A 47 ARG HBy 1.0 . 5.19 1002 736 A 42 LEU H A 48 GLN HA 1.0 . 4.40 1003 737 A 42 LEU HG A 42 LEU HA 1.0 . 4.22 1004 738 A 42 LEU HDx% A 42 LEU HA 1.0 . 4.45 1005 739 A 42 LEU HDy% A 42 LEU HA 1.0 . 3.07 1006 740 A 43 LYS H A 42 LEU HA 1.0 . 3.18 1007 741 A 42 LEU HA A 44 ASN H 1.0 . 4.83 1008 742 A 42 LEU HDx% A 42 LEU HBx 1.0 . 3.06 1009 743 A 42 LEU HDy% A 42 LEU HBx 1.0 . 3.87 1010 744 A 43 LYS H A 42 LEU HBx 1.0 . 3.59 1011 745 A 44 ASN H A 42 LEU HBx 1.0 . 4.10 1012 746 A 42 LEU HBx A 45 ASN H 1.0 . 4.81 1013 747 A 42 LEU HBx A 45 ASN HBx 1.0 . 5.50 1014 748 A 47 ARG H A 42 LEU HBx 1.0 . 5.04 1015 749 A 47 ARG HBx A 42 LEU HBx 1.0 . 4.02 1016 750 A 42 LEU HBy A 42 LEU HDx% 1.0 . 3.42 1017 751 A 42 LEU HDy% A 42 LEU HBy 1.0 . 3.76 1018 752 A 42 LEU HBy A 43 LYS H 1.0 . 4.62 1019 753 A 42 LEU HBy A 44 ASN H 1.0 . 4.66 1020 754 A 42 LEU HBy A 45 ASN H 1.0 . 4.85 1021 755 A 42 LEU HBy A 47 ARG H 1.0 . 4.25 1022 756 A 42 LEU HBy A 47 ARG HBx 1.0 . 5.32 1023 757 A 49 VAL HGy% A 42 LEU HG 1.0 . 4.22 1024 758 A 42 LEU HDx% A 43 LYS H 1.0 . 4.85 1025 759 A 42 LEU HDx% A 44 ASN H 1.0 . 5.50 1026 760 A 42 LEU HDx% A 45 ASN H 1.0 . 5.50 1027 761 A 42 LEU HDx% A 45 ASN HD2y 1.0 . 4.73 1028 762 A 42 LEU HDx% A 45 ASN HD2x 1.0 . 4.12 1029 763 A 42 LEU HDx% A 47 ARG H 1.0 . 4.85 1030 764 A 42 LEU HDx% A 47 ARG HBx 1.0 . 4.09 1031 765 A 42 LEU HDx% A 47 ARG HBy 1.0 . 3.98 1032 766 A 42 LEU HDx% A 47 ARG HDy 1.0 . 4.67 1033 767 A 42 LEU HDx% A 47 ARG HDx 1.0 . 4.65 1034 768 A 42 LEU HDy% A 43 LYS H 1.0 . 3.84 1035 769 A 42 LEU HDy% A 44 ASN H 1.0 . 5.49 1036 770 A 42 LEU HDy% A 47 ARG H 1.0 . 5.39 1037 771 A 43 LYS HBy A 43 LYS H 1.0 . 3.66 1038 772 A 43 LYS H A 43 LYS HBx 1.0 . 3.73 1039 773 A 43 LYS H A 43 LYS HEy 1.0 . 5.47 1040 774 A 43 LYS H A 43 LYS HEx 1.0 . 5.47 1041 775 A 43 LYS H A 43 LYS HGy 1.0 . 3.90 1042 776 A 43 LYS H A 43 LYS HGx 1.0 . 3.90 1043 777 A 43 LYS H A 43 LYS HDx 1.0 . 5.20 1044 777 A 43 LYS HDy A 43 LYS H 1.0 . 5.20 1045 778 A 43 LYS H A 43 LYS HEx 1.0 . 4.76 1046 778 A 43 LYS H A 43 LYS HEy 1.0 . 4.76 1047 779 A 43 LYS H A 44 ASN H 1.0 . 3.91 1048 780 A 43 LYS HA A 43 LYS HDx 1.0 . 4.84 1049 780 A 43 LYS HDy A 43 LYS HA 1.0 . 4.84 1050 781 A 43 LYS HA A 43 LYS HEx 1.0 . 4.07 1051 781 A 43 LYS HA A 43 LYS HEy 1.0 . 4.07 1052 782 A 43 LYS HA A 43 LYS HGx 1.0 . 3.37 1053 782 A 43 LYS HGy A 43 LYS HA 1.0 . 3.37 1054 783 A 43 LYS HA A 46 ASN H 1.0 . 5.50 1055 784 A 43 LYS HBy A 43 LYS HEy 1.0 . 4.44 1056 785 A 43 LYS HBy A 43 LYS HEx 1.0 . 4.44 1057 786 A 43 LYS HBy A 44 ASN H 1.0 . 4.06 1058 787 A 43 LYS HBx A 43 LYS HEy 1.0 . 3.47 1059 788 A 43 LYS HBx A 43 LYS HEx 1.0 . 3.47 1060 789 A 43 LYS HBx A 43 LYS HEx 1.0 . 2.99 1061 789 A 43 LYS HBx A 43 LYS HEy 1.0 . 2.99 1062 790 A 44 ASN H A 43 LYS HBx 1.0 . 3.99 1063 791 A 43 LYS HGy A 44 ASN H 1.0 . 5.41 1064 792 A 44 ASN H A 43 LYS HGx 1.0 . 5.41 1065 793 A 43 LYS HEy A 43 LYS HGx 1.0 . 2.96 1066 793 A 43 LYS HEx A 43 LYS HGx 1.0 . 2.96 1067 793 A 43 LYS HGy A 43 LYS HEx 1.0 . 2.96 1068 793 A 43 LYS HGy A 43 LYS HEy 1.0 . 2.96 1069 794 A 44 ASN H A 43 LYS HGx 1.0 . 4.72 1070 794 A 43 LYS HGy A 44 ASN H 1.0 . 4.72 1071 795 A 44 ASN H A 44 ASN HBy 1.0 . 4.17 1072 796 A 44 ASN H A 44 ASN HBx 1.0 . 4.17 1073 797 A 44 ASN H A 44 ASN HBx 1.0 . 3.57 1074 797 A 44 ASN H A 44 ASN HBy 1.0 . 3.57 1075 798 A 44 ASN H A 45 ASN H 1.0 . 3.85 1076 799 A 44 ASN H A 46 ASN H 1.0 . 5.11 1077 800 A 45 ASN H A 45 ASN HBx 1.0 . 4.20 1078 801 A 45 ASN H A 46 ASN H 1.0 . 3.28 1079 802 A 45 ASN HD2y A 45 ASN HA 1.0 . 5.50 1080 803 A 45 ASN HBx A 47 ARG HGx 1.0 . 4.61 1081 803 A 45 ASN HBx A 47 ARG HGy 1.0 . 4.61 1082 804 A 46 ASN H A 45 ASN HBy 1.0 . 4.63 1083 805 A 47 ARG H A 45 ASN HD2y 1.0 . 5.14 1084 806 A 47 ARG HBy A 45 ASN HD2y 1.0 . 4.77 1085 807 A 45 ASN HD2y A 47 ARG HDy 1.0 . 5.10 1086 808 A 45 ASN HD2y A 47 ARG HDx 1.0 . 5.12 1087 809 A 45 ASN HD2y A 47 ARG HGx 1.0 . 5.24 1088 809 A 45 ASN HD2y A 47 ARG HGy 1.0 . 5.24 1089 810 A 47 ARG H A 45 ASN HD2x 1.0 . 5.50 1090 811 A 47 ARG HBy A 45 ASN HD2x 1.0 . 4.72 1091 812 A 45 ASN HD2x A 47 ARG HDy 1.0 . 5.07 1092 813 A 45 ASN HD2x A 47 ARG HDx 1.0 . 5.19 1093 814 A 45 ASN HD2x A 47 ARG HGx 1.0 . 5.41 1094 814 A 45 ASN HD2x A 47 ARG HGy 1.0 . 5.41 1095 815 A 46 ASN H A 46 ASN HBy 1.0 . 4.15 1096 816 A 46 ASN H A 46 ASN HBx 1.0 . 4.15 1097 817 A 46 ASN H A 46 ASN HBx 1.0 . 3.62 1098 817 A 46 ASN H A 46 ASN HBy 1.0 . 3.62 1099 818 A 47 ARG H A 47 ARG HBx 1.0 . 3.39 1100 819 A 47 ARG H A 47 ARG HBy 1.0 . 3.50 1101 820 A 47 ARG H A 47 ARG HDy 1.0 . 5.12 1102 821 A 47 ARG H A 47 ARG HDx 1.0 . 4.43 1103 822 A 47 ARG H A 47 ARG HGx 1.0 . 3.58 1104 822 A 47 ARG H A 47 ARG HGy 1.0 . 3.58 1105 823 A 47 ARG H A 48 GLN H 1.0 . 4.81 1106 824 A 47 ARG HA A 47 ARG HDx 1.0 . 4.73 1107 825 A 47 ARG HA A 47 ARG HGx 1.0 . 3.35 1108 825 A 47 ARG HA A 47 ARG HGy 1.0 . 3.35 1109 826 A 47 ARG HA A 48 GLN H 1.0 . 3.27 1110 827 A 47 ARG HBx A 47 ARG HGx 1.0 . 2.67 1111 827 A 47 ARG HBx A 47 ARG HGy 1.0 . 2.67 1112 828 A 47 ARG HBy A 47 ARG HDy 1.0 . 3.61 1113 829 A 47 ARG HBy A 47 ARG HGx 1.0 . 2.72 1114 829 A 47 ARG HBy A 47 ARG HGy 1.0 . 2.72 1115 830 A 48 GLN H A 47 ARG HDx 1.0 . 5.42 1116 831 A 48 GLN HBy A 48 GLN H 1.0 . 3.78 1117 832 A 48 GLN H A 48 GLN HBx 1.0 . 3.69 1118 833 A 48 GLN HGx A 48 GLN H 1.0 . 4.72 1119 834 A 48 GLN HGy A 48 GLN H 1.0 . 4.35 1120 835 A 49 VAL H A 48 GLN H 1.0 . 5.27 1121 836 A 48 GLN HA A 48 GLN HE2y 1.0 . 5.50 1122 837 A 48 GLN HA A 48 GLN HGx 1.0 . 4.19 1123 838 A 48 GLN HA A 48 GLN HGy 1.0 . 3.97 1124 839 A 48 GLN HA A 49 VAL H 1.0 . 3.32 1125 840 A 48 GLN HE2y A 48 GLN HBy 1.0 . 4.85 1126 841 A 48 GLN HE2y A 48 GLN HBx 1.0 . 4.65 1127 842 A 48 GLN HE2x A 48 GLN HBx 1.0 . 5.20 1128 843 A 49 VAL H A 48 GLN HBx 1.0 . 4.86 1129 844 A 48 GLN HGy A 49 VAL H 1.0 . 4.55 1130 845 A 49 VAL H A 49 VAL HGx% 1.0 . 3.69 1131 846 A 49 VAL HGy% A 49 VAL H 1.0 . 3.76 1132 847 A 49 VAL HGx% A 49 VAL HA 1.0 . 3.25 1133 848 A 49 VAL HB A 50 CYS H 1.0 . 3.78 1134 849 A 49 VAL HGx% A 50 CYS H 1.0 . 4.47 1135 850 A 49 VAL HGy% A 50 CYS H 1.0 . 4.82 1136 851 A 50 CYS HBy A 50 CYS H 1.0 . 4.04 1137 852 A 51 ILE H A 50 CYS HA 1.0 . 3.54 1138 853 A 50 CYS HBy A 51 ILE H 1.0 . 5.31 1139 854 A 50 CYS HBx A 51 ILE H 1.0 . 4.70 1140 855 A 51 ILE H A 51 ILE HB 1.0 . 3.74 1141 856 A 51 ILE HG1y A 51 ILE H 1.0 . 4.16 1142 857 A 51 ILE H A 51 ILE HG1x 1.0 . 4.11 1143 858 A 51 ILE H A 51 ILE HD1% 1.0 . 4.74 1144 859 A 51 ILE H A 51 ILE HG2% 1.0 . 3.98 1145 860 A 52 ASP H A 51 ILE H 1.0 . 5.50 1146 861 A 51 ILE HA A 51 ILE HG1x 1.0 . 4.14 1147 862 A 51 ILE HA A 51 ILE HD1% 1.0 . 4.15 1148 863 A 51 ILE HA A 51 ILE HG2% 1.0 . 3.37 1149 864 A 52 ASP H A 51 ILE HA 1.0 . 3.38 1150 865 A 52 ASP H A 51 ILE HB 1.0 . 4.70 1151 866 A 51 ILE HB A 58 ILE HG1x 1.0 . 5.50 1152 867 A 51 ILE HB A 58 ILE HD1% 1.0 . 4.65 1153 868 A 51 ILE HG1y A 52 ASP H 1.0 . 5.50 1154 869 A 51 ILE HG1y A 58 ILE HG1x 1.0 . 5.47 1155 870 A 51 ILE HG1y A 58 ILE HD1% 1.0 . 4.89 1156 871 A 52 ASP H A 51 ILE HG1x 1.0 . 5.50 1157 872 A 51 ILE HG1x A 58 ILE HD1% 1.0 . 4.93 1158 873 A 52 ASP H A 51 ILE HD1% 1.0 . 4.72 1159 874 A 51 ILE HD1% A 57 TRP HH2 1.0 . 4.01 1160 875 A 51 ILE HD1% A 57 TRP HZ2 1.0 . 4.09 1161 876 A 51 ILE HD1% A 58 ILE HD1% 1.0 . 3.48 1162 877 A 51 ILE HG1y A 51 ILE HG2% 1.0 . 3.41 1163 878 A 52 ASP H A 51 ILE HG2% 1.0 . 3.77 1164 879 A 51 ILE HG2% A 55 LEU H 1.0 . 4.89 1165 880 A 51 ILE HG2% A 55 LEU HBx 1.0 . 3.29 1166 881 A 51 ILE HG2% A 57 TRP HH2 1.0 . 5.09 1167 882 A 51 ILE HG2% A 57 TRP HZ2 1.0 . 3.78 1168 883 A 51 ILE HG2% A 58 ILE HG1x 1.0 . 3.97 1169 884 A 51 ILE HG2% A 58 ILE HD1% 1.0 . 3.43 1170 885 A 52 ASP H A 52 ASP HBx 1.0 . 3.76 1171 886 A 52 ASP H A 52 ASP HBy 1.0 . 3.75 1172 887 A 52 ASP H A 53 PRO HDx 1.0 . 5.44 1173 888 A 52 ASP H A 53 PRO HDy 1.0 . 5.50 1174 889 A 52 ASP H A 55 LEU HG 1.0 . 4.75 1175 890 A 52 ASP H A 55 LEU HDx% 1.0 . 4.33 1176 891 A 52 ASP HA A 53 PRO HDx 1.0 . 3.46 1177 892 A 52 ASP HA A 54 LYS H 1.0 . 4.89 1178 893 A 52 ASP HA A 55 LEU H 1.0 . 5.50 1179 894 A 52 ASP HBx A 53 PRO HDx 1.0 . 5.27 1180 895 A 52 ASP HBx A 54 LYS H 1.0 . 5.50 1181 896 A 52 ASP HBx A 55 LEU H 1.0 . 5.50 1182 897 A 52 ASP HBx A 55 LEU HG 1.0 . 4.19 1183 898 A 52 ASP HBx A 55 LEU HDx% 1.0 . 4.27 1184 899 A 52 ASP HBy A 53 PRO HDx 1.0 . 5.50 1185 900 A 52 ASP HBy A 54 LYS H 1.0 . 5.21 1186 901 A 52 ASP HBy A 55 LEU H 1.0 . 4.81 1187 902 A 52 ASP HBy A 55 LEU HA 1.0 . 5.50 1188 903 A 52 ASP HBy A 55 LEU HBx 1.0 . 5.50 1189 904 A 52 ASP HBy A 55 LEU HBy 1.0 . 5.50 1190 905 A 52 ASP HBy A 55 LEU HG 1.0 . 3.98 1191 906 A 52 ASP HBy A 55 LEU HDx% 1.0 . 3.97 1192 907 A 52 ASP HBy A 55 LEU HDy% 1.0 . 4.43 1193 908 A 53 PRO HA A 55 LEU H 1.0 . 4.95 1194 909 A 53 PRO HA A 58 ILE HB 1.0 . 5.34 1195 910 A 53 PRO HA A 58 ILE HG1y 1.0 . 5.50 1196 911 A 53 PRO HA A 58 ILE HG1x 1.0 . 5.50 1197 912 A 58 ILE HD1% A 53 PRO HA 1.0 . 4.54 1198 913 A 53 PRO HA A 58 ILE HG2% 1.0 . 3.58 1199 914 A 53 PRO HDx A 54 LYS H 1.0 . 4.26 1200 915 A 53 PRO HDy A 54 LYS H 1.0 . 4.97 1201 916 A 54 LYS H A 53 PRO HGy 1.0 . 3.44 1202 916 A 53 PRO HGx A 54 LYS H 1.0 . 3.44 1203 917 A 54 LYS H A 54 LYS HBx 1.0 . 3.50 1204 917 A 54 LYS H A 54 LYS HBy 1.0 . 3.50 1205 918 A 54 LYS H A 54 LYS HDx 1.0 . 5.41 1206 918 A 54 LYS H A 54 LYS HDy 1.0 . 5.41 1207 919 A 54 LYS H A 54 LYS HEx 1.0 . 5.50 1208 919 A 54 LYS H A 54 LYS HEy 1.0 . 5.50 1209 920 A 54 LYS H A 54 LYS HGx 1.0 . 3.56 1210 920 A 54 LYS H A 54 LYS HGy 1.0 . 3.56 1211 921 A 54 LYS H A 55 LEU H 1.0 . 3.52 1212 922 A 54 LYS H A 58 ILE HG2% 1.0 . 4.79 1213 923 A 54 LYS HA A 54 LYS HDx 1.0 . 4.01 1214 923 A 54 LYS HDy A 54 LYS HA 1.0 . 4.01 1215 924 A 54 LYS HA A 54 LYS HEx 1.0 . 5.50 1216 924 A 54 LYS HEy A 54 LYS HA 1.0 . 5.50 1217 925 A 54 LYS HA A 54 LYS HGx 1.0 . 3.46 1218 925 A 54 LYS HGy A 54 LYS HA 1.0 . 3.46 1219 926 A 54 LYS HA A 59 GLN HE2y 1.0 . 4.26 1220 927 A 54 LYS HA A 59 GLN HE2x 1.0 . 4.72 1221 928 A 54 LYS HBx A 54 LYS HDx 1.0 . 2.40 1222 928 A 54 LYS HBy A 54 LYS HDx 1.0 . 2.40 1223 928 A 54 LYS HDy A 54 LYS HBx 1.0 . 2.40 1224 928 A 54 LYS HBy A 54 LYS HDy 1.0 . 2.40 1225 929 A 54 LYS HBy A 54 LYS HEx 1.0 . 2.87 1226 929 A 54 LYS HBx A 54 LYS HEx 1.0 . 2.87 1227 929 A 54 LYS HEy A 54 LYS HBx 1.0 . 2.87 1228 929 A 54 LYS HBy A 54 LYS HEy 1.0 . 2.87 1229 930 A 55 LEU H A 54 LYS HBx 1.0 . 5.00 1230 930 A 55 LEU H A 54 LYS HBy 1.0 . 5.00 1231 931 A 54 LYS HDx A 54 LYS HEx 1.0 . 2.78 1232 931 A 54 LYS HEy A 54 LYS HDx 1.0 . 2.78 1233 931 A 54 LYS HDy A 54 LYS HEy 1.0 . 2.78 1234 931 A 54 LYS HDy A 54 LYS HEx 1.0 . 2.78 1235 932 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.47 1236 932 A 54 LYS HEx A 54 LYS HGx 1.0 . 3.47 1237 932 A 54 LYS HGy A 54 LYS HEx 1.0 . 3.47 1238 932 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.47 1239 933 A 55 LEU H A 54 LYS HGx 1.0 . 3.68 1240 933 A 55 LEU H A 54 LYS HGy 1.0 . 3.68 1241 934 A 55 LEU H A 55 LEU HBx 1.0 . 3.58 1242 935 A 55 LEU H A 55 LEU HBy 1.0 . 3.52 1243 936 A 55 LEU H A 55 LEU HG 1.0 . 3.51 1244 937 A 55 LEU HDx% A 55 LEU H 1.0 . 4.08 1245 938 A 55 LEU HDy% A 55 LEU H 1.0 . 3.78 1246 939 A 55 LEU H A 56 LYS H 1.0 . 5.04 1247 940 A 55 LEU H A 58 ILE H 1.0 . 5.50 1248 941 A 55 LEU H A 58 ILE HG1y 1.0 . 4.47 1249 942 A 58 ILE HG1x A 55 LEU H 1.0 . 5.50 1250 943 A 58 ILE HD1% A 55 LEU H 1.0 . 5.19 1251 944 A 55 LEU H A 58 ILE HG2% 1.0 . 4.48 1252 945 A 55 LEU HG A 55 LEU HA 1.0 . 4.14 1253 946 A 55 LEU HDx% A 55 LEU HA 1.0 . 4.47 1254 947 A 55 LEU HDy% A 55 LEU HA 1.0 . 3.12 1255 948 A 55 LEU HA A 56 LYS H 1.0 . 3.16 1256 949 A 55 LEU HA A 58 ILE HG1y 1.0 . 5.50 1257 950 A 55 LEU HBx A 56 LYS H 1.0 . 3.99 1258 951 A 55 LEU HBx A 57 TRP H 1.0 . 5.18 1259 952 A 55 LEU HBx A 58 ILE H 1.0 . 4.79 1260 953 A 58 ILE HA A 55 LEU HBx 1.0 . 5.50 1261 954 A 55 LEU HBx A 58 ILE HB 1.0 . 5.33 1262 955 A 58 ILE HG1x A 55 LEU HBx 1.0 . 4.69 1263 956 A 58 ILE HD1% A 55 LEU HBx 1.0 . 4.29 1264 957 A 55 LEU HBx A 58 ILE HG2% 1.0 . 4.71 1265 958 A 55 LEU HBx A 59 GLN H 1.0 . 4.70 1266 959 A 55 LEU HDx% A 55 LEU HBy 1.0 . 3.73 1267 960 A 55 LEU HDy% A 55 LEU HBy 1.0 . 4.15 1268 961 A 55 LEU HBy A 56 LYS H 1.0 . 5.03 1269 962 A 57 TRP HD1 A 55 LEU HBy 1.0 . 4.87 1270 963 A 55 LEU HBy A 58 ILE H 1.0 . 4.74 1271 964 A 58 ILE HG1x A 55 LEU HBy 1.0 . 4.24 1272 965 A 58 ILE HD1% A 55 LEU HBy 1.0 . 4.76 1273 966 A 55 LEU HBy A 58 ILE HG2% 1.0 . 4.51 1274 967 A 55 LEU HDx% A 56 LYS H 1.0 . 5.01 1275 968 A 55 LEU HDx% A 57 TRP HD1 1.0 . 3.67 1276 969 A 55 LEU HDx% A 57 TRP HZ2 1.0 . 4.54 1277 970 A 55 LEU HDx% A 58 ILE H 1.0 . 5.50 1278 971 A 55 LEU HDx% A 58 ILE HG1x 1.0 . 4.49 1279 972 A 55 LEU HDx% A 58 ILE HD1% 1.0 . 4.08 1280 973 A 55 LEU HDy% A 56 LYS H 1.0 . 3.92 1281 974 A 55 LEU HDy% A 57 TRP H 1.0 . 5.08 1282 975 A 55 LEU HDy% A 57 TRP HD1 1.0 . 4.23 1283 976 A 55 LEU HDy% A 57 TRP HZ2 1.0 . 5.34 1284 977 A 55 LEU HDy% A 58 ILE H 1.0 . 5.50 1285 978 A 55 LEU HDy% A 58 ILE HG1x 1.0 . 4.85 1286 979 A 56 LYS H A 56 LYS HGy 1.0 . 4.88 1287 980 A 56 LYS H A 56 LYS HGx 1.0 . 4.88 1288 981 A 56 LYS H A 56 LYS HBx 1.0 . 3.22 1289 981 A 56 LYS H A 56 LYS HBy 1.0 . 3.22 1290 982 A 56 LYS H A 56 LYS HDx 1.0 . 5.33 1291 982 A 56 LYS H A 56 LYS HDy 1.0 . 5.33 1292 983 A 56 LYS H A 57 TRP H 1.0 . 4.77 1293 984 A 56 LYS HA A 56 LYS HGy 1.0 . 4.15 1294 985 A 56 LYS HA A 56 LYS HGx 1.0 . 4.15 1295 986 A 56 LYS HA A 56 LYS HDx 1.0 . 4.01 1296 986 A 56 LYS HDy A 56 LYS HA 1.0 . 4.01 1297 987 A 56 LYS HA A 56 LYS HEx 1.0 . 5.50 1298 987 A 56 LYS HA A 56 LYS HEy 1.0 . 5.50 1299 988 A 56 LYS HA A 56 LYS HGx 1.0 . 3.55 1300 988 A 56 LYS HA A 56 LYS HGy 1.0 . 3.55 1301 989 A 58 ILE H A 56 LYS HA 1.0 . 5.50 1302 990 A 59 GLN H A 56 LYS HA 1.0 . 4.48 1303 991 A 56 LYS HA A 59 GLN HGy 1.0 . 4.45 1304 992 A 56 LYS HA A 60 GLU H 1.0 . 4.86 1305 993 A 56 LYS HGy A 56 LYS HDx 1.0 . 2.78 1306 993 A 56 LYS HDy A 56 LYS HGy 1.0 . 2.78 1307 994 A 56 LYS HEy A 56 LYS HGy 1.0 . 3.98 1308 994 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.98 1309 995 A 56 LYS HDx A 56 LYS HGx 1.0 . 2.78 1310 995 A 56 LYS HDy A 56 LYS HGx 1.0 . 2.78 1311 996 A 56 LYS HEx A 56 LYS HGx 1.0 . 3.98 1312 996 A 56 LYS HEy A 56 LYS HGx 1.0 . 3.98 1313 997 A 56 LYS HBx A 56 LYS HDx 1.0 . 2.88 1314 997 A 56 LYS HDy A 56 LYS HBx 1.0 . 2.88 1315 997 A 56 LYS HBy A 56 LYS HDy 1.0 . 2.88 1316 997 A 56 LYS HBy A 56 LYS HDx 1.0 . 2.88 1317 998 A 56 LYS HBx A 56 LYS HEx 1.0 . 4.24 1318 998 A 56 LYS HBy A 56 LYS HEx 1.0 . 4.24 1319 998 A 56 LYS HEy A 56 LYS HBx 1.0 . 4.24 1320 998 A 56 LYS HBy A 56 LYS HEy 1.0 . 4.24 1321 999 A 57 TRP H A 56 LYS HBx 1.0 . 4.03 1322 999 A 57 TRP H A 56 LYS HBy 1.0 . 4.03 1323 1000 A 57 TRP HD1 A 56 LYS HBx 1.0 . 5.40 1324 1000 A 57 TRP HD1 A 56 LYS HBy 1.0 . 5.40 1325 1001 A 58 ILE H A 56 LYS HBx 1.0 . 5.50 1326 1001 A 58 ILE H A 56 LYS HBy 1.0 . 5.50 1327 1002 A 57 TRP H A 56 LYS HDx 1.0 . 5.50 1328 1002 A 57 TRP H A 56 LYS HDy 1.0 . 5.50 1329 1003 A 56 LYS HDx A 56 LYS HGx 1.0 . 2.41 1330 1003 A 56 LYS HDy A 56 LYS HGx 1.0 . 2.41 1331 1003 A 56 LYS HGy A 56 LYS HDx 1.0 . 2.41 1332 1003 A 56 LYS HDy A 56 LYS HGy 1.0 . 2.41 1333 1004 A 56 LYS HEx A 56 LYS HGx 1.0 . 3.47 1334 1004 A 56 LYS HEy A 56 LYS HGx 1.0 . 3.47 1335 1004 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.47 1336 1004 A 56 LYS HEy A 56 LYS HGy 1.0 . 3.47 1337 1005 A 57 TRP HBx A 57 TRP H 1.0 . 4.14 1338 1006 A 58 ILE H A 57 TRP H 1.0 . 4.86 1339 1007 A 57 TRP H A 59 GLN H 1.0 . 4.46 1340 1008 A 60 GLU H A 57 TRP HA 1.0 . 5.22 1341 1009 A 57 TRP HA A 60 GLU HGy 1.0 . 5.18 1342 1010 A 57 TRP HA A 60 GLU HGx 1.0 . 5.18 1343 1011 A 57 TRP HA A 60 GLU HBy 1.0 . 4.43 1344 1011 A 57 TRP HA A 60 GLU HBx 1.0 . 4.43 1345 1012 A 57 TRP HBy A 58 ILE H 1.0 . 5.50 1346 1013 A 57 TRP HBx A 58 ILE H 1.0 . 5.50 1347 1014 A 57 TRP HD1 A 58 ILE HD1% 1.0 . 5.50 1348 1015 A 57 TRP HE3 A 58 ILE HA 1.0 . 5.45 1349 1016 A 57 TRP HE3 A 58 ILE HD1% 1.0 . 4.40 1350 1017 A 57 TRP HH2 A 58 ILE HD1% 1.0 . 4.44 1351 1018 A 57 TRP HH2 A 58 ILE HG2% 1.0 . 5.50 1352 1019 A 57 TRP HZ2 A 58 ILE HD1% 1.0 . 5.38 1353 1020 A 57 TRP HZ3 A 58 ILE HA 1.0 . 4.39 1354 1021 A 57 TRP HZ3 A 58 ILE HD1% 1.0 . 5.03 1355 1022 A 57 TRP HZ3 A 61 TYR HBy 1.0 . 5.04 1356 1023 A 57 TRP HZ3 A 61 TYR HBx 1.0 . 4.91 1357 1024 A 58 ILE HG1y A 58 ILE H 1.0 . 4.24 1358 1025 A 58 ILE HG1x A 58 ILE H 1.0 . 4.51 1359 1026 A 58 ILE HD1% A 58 ILE H 1.0 . 4.96 1360 1027 A 58 ILE HG2% A 58 ILE H 1.0 . 3.91 1361 1028 A 58 ILE H A 59 GLN H 1.0 . 4.18 1362 1029 A 58 ILE H A 60 GLU H 1.0 . 5.36 1363 1030 A 58 ILE HA A 58 ILE HG1y 1.0 . 3.65 1364 1031 A 58 ILE HD1% A 58 ILE HA 1.0 . 3.59 1365 1032 A 58 ILE HA A 58 ILE HG2% 1.0 . 3.55 1366 1033 A 58 ILE HA A 60 GLU H 1.0 . 5.15 1367 1034 A 58 ILE HA A 61 TYR H 1.0 . 4.99 1368 1035 A 58 ILE HA A 61 TYR HBy 1.0 . 4.13 1369 1036 A 58 ILE HA A 61 TYR HBx 1.0 . 3.95 1370 1037 A 61 TYR HD% A 58 ILE HA 1.0 . 4.49 1371 1038 A 58 ILE HA A 62 LEU H 1.0 . 5.15 1372 1039 A 58 ILE HA A 62 LEU HG 1.0 . 5.50 1373 1040 A 58 ILE HA A 62 LEU HDx% 1.0 . 5.05 1374 1041 A 58 ILE HD1% A 58 ILE HB 1.0 . 4.08 1375 1042 A 58 ILE HB A 59 GLN H 1.0 . 5.03 1376 1043 A 61 TYR HBx A 58 ILE HG1y 1.0 . 5.50 1377 1044 A 61 TYR HBx A 58 ILE HG1x 1.0 . 5.50 1378 1045 A 62 LEU H A 58 ILE O 1.0 . 2.00 1379 1046 A 58 ILE O A 62 LEU N 1.0 . 3.00 1380 1047 A 58 ILE HD1% A 61 TYR HBy 1.0 . 4.90 1381 1048 A 58 ILE HD1% A 61 TYR HBx 1.0 . 4.68 1382 1049 A 58 ILE HD1% A 61 TYR HD% 1.0 . 4.56 1383 1050 A 58 ILE HD1% A 61 TYR HE% 1.0 . 5.50 1384 1051 A 58 ILE HD1% A 62 LEU H 1.0 . 5.50 1385 1052 A 58 ILE HG1x A 58 ILE HG2% 1.0 . 3.48 1386 1053 A 58 ILE HD1% A 58 ILE HG2% 1.0 . 3.09 1387 1054 A 58 ILE HG2% A 59 GLN H 1.0 . 4.00 1388 1055 A 58 ILE HG2% A 59 GLN HA 1.0 . 4.47 1389 1056 A 58 ILE HG2% A 59 GLN HGy 1.0 . 4.81 1390 1057 A 58 ILE HG2% A 59 GLN HBx 1.0 . 4.94 1391 1057 A 58 ILE HG2% A 59 GLN HBy 1.0 . 4.94 1392 1058 A 58 ILE HG2% A 61 TYR HBy 1.0 . 5.20 1393 1059 A 61 TYR HBx A 58 ILE HG2% 1.0 . 5.01 1394 1060 A 61 TYR HD% A 58 ILE HG2% 1.0 . 4.34 1395 1061 A 61 TYR HE% A 58 ILE HG2% 1.0 . 4.39 1396 1062 A 58 ILE HG2% A 62 LEU H 1.0 . 4.86 1397 1063 A 58 ILE HG2% A 62 LEU HA 1.0 . 5.50 1398 1064 A 58 ILE HG2% A 62 LEU HG 1.0 . 3.86 1399 1065 A 58 ILE HG2% A 62 LEU HDy% 1.0 . 3.86 1400 1066 A 58 ILE HG2% A 63 GLU H 1.0 . 5.50 1401 1067 A 59 GLN H A 59 GLN HGy 1.0 . 4.03 1402 1068 A 59 GLN H A 59 GLN HGx 1.0 . 4.04 1403 1069 A 59 GLN H A 59 GLN HBx 1.0 . 3.66 1404 1069 A 59 GLN H A 59 GLN HBy 1.0 . 3.66 1405 1070 A 59 GLN H A 60 GLU H 1.0 . 3.92 1406 1071 A 59 GLN H A 62 LEU HDx% 1.0 . 5.50 1407 1072 A 59 GLN HE2y A 59 GLN HA 1.0 . 5.17 1408 1073 A 59 GLN HE2x A 59 GLN HA 1.0 . 5.50 1409 1074 A 59 GLN HGy A 59 GLN HA 1.0 . 3.87 1410 1075 A 59 GLN HA A 59 GLN HGx 1.0 . 3.77 1411 1076 A 62 LEU H A 59 GLN HA 1.0 . 3.93 1412 1077 A 59 GLN HA A 63 GLU H 1.0 . 4.91 1413 1078 A 59 GLN HE2y A 62 LEU HDx% 1.0 . 5.08 1414 1079 A 59 GLN HE2x A 62 LEU HDy% 1.0 . 5.23 1415 1080 A 63 GLU H A 59 GLN O 1.0 . 2.00 1416 1081 A 59 GLN O A 63 GLU N 1.0 . 3.00 1417 1082 A 59 GLN HE2y A 59 GLN HBx 1.0 . 4.74 1418 1082 A 59 GLN HE2y A 59 GLN HBy 1.0 . 4.74 1419 1083 A 59 GLN HGy A 59 GLN HBx 1.0 . 2.85 1420 1083 A 59 GLN HGy A 59 GLN HBy 1.0 . 2.85 1421 1084 A 59 GLN HGx A 59 GLN HBx 1.0 . 2.87 1422 1084 A 59 GLN HBy A 59 GLN HGx 1.0 . 2.87 1423 1085 A 60 GLU H A 59 GLN HBx 1.0 . 3.77 1424 1085 A 60 GLU H A 59 GLN HBy 1.0 . 3.77 1425 1086 A 62 LEU H A 59 GLN HBx 1.0 . 5.19 1426 1086 A 62 LEU H A 59 GLN HBy 1.0 . 5.19 1427 1087 A 60 GLU H A 60 GLU HBy 1.0 . 3.61 1428 1088 A 60 GLU H A 60 GLU HBx 1.0 . 3.61 1429 1089 A 60 GLU H A 60 GLU HGy 1.0 . 3.86 1430 1090 A 60 GLU H A 60 GLU HGx 1.0 . 3.86 1431 1091 A 60 GLU H A 60 GLU HBy 1.0 . 3.08 1432 1091 A 60 GLU H A 60 GLU HBx 1.0 . 3.08 1433 1092 A 60 GLU H A 60 GLU HGx 1.0 . 3.31 1434 1092 A 60 GLU H A 60 GLU HGy 1.0 . 3.31 1435 1093 A 60 GLU H A 61 TYR H 1.0 . 3.44 1436 1094 A 60 GLU HGy A 60 GLU HA 1.0 . 4.01 1437 1095 A 60 GLU HA A 60 GLU HGx 1.0 . 4.01 1438 1096 A 60 GLU HA A 60 GLU HGx 1.0 . 3.50 1439 1096 A 60 GLU HGy A 60 GLU HA 1.0 . 3.50 1440 1097 A 63 GLU H A 60 GLU HA 1.0 . 4.75 1441 1098 A 60 GLU HA A 63 GLU HBy 1.0 . 4.20 1442 1099 A 60 GLU HA A 63 GLU HBx 1.0 . 4.20 1443 1100 A 60 GLU HA A 63 GLU HBy 1.0 . 3.54 1444 1100 A 60 GLU HA A 63 GLU HBx 1.0 . 3.54 1445 1101 A 60 GLU HA A 64 LYS H 1.0 . 5.50 1446 1102 A 64 LYS H A 60 GLU O 1.0 . 2.00 1447 1103 A 60 GLU O A 64 LYS N 1.0 . 3.00 1448 1104 A 61 TYR HD% A 61 TYR H 1.0 . 4.99 1449 1105 A 61 TYR H A 62 LEU H 1.0 . 4.39 1450 1106 A 61 TYR HD% A 61 TYR HA 1.0 . 3.85 1451 1107 A 61 TYR HE% A 61 TYR HA 1.0 . 5.47 1452 1108 A 64 LYS H A 61 TYR HA 1.0 . 4.73 1453 1109 A 61 TYR HA A 64 LYS HBx 1.0 . 3.80 1454 1109 A 61 TYR HA A 64 LYS HBy 1.0 . 3.80 1455 1110 A 61 TYR HA A 65 ALA HB% 1.0 . 5.50 1456 1111 A 61 TYR HBy A 62 LEU H 1.0 . 4.43 1457 1112 A 61 TYR HBy A 62 LEU HG 1.0 . 5.50 1458 1113 A 61 TYR HBy A 62 LEU HDx% 1.0 . 5.03 1459 1114 A 61 TYR HBx A 62 LEU H 1.0 . 4.13 1460 1115 A 61 TYR HBx A 62 LEU HG 1.0 . 5.24 1461 1116 A 61 TYR HBx A 62 LEU HDx% 1.0 . 4.84 1462 1117 A 61 TYR O A 65 ALA H 1.0 . 2.00 1463 1118 A 61 TYR O A 65 ALA N 1.0 . 3.00 1464 1119 A 61 TYR HD% A 62 LEU H 1.0 . 4.84 1465 1120 A 61 TYR HD% A 62 LEU HA 1.0 . 5.04 1466 1121 A 61 TYR HD% A 62 LEU HG 1.0 . 4.35 1467 1122 A 61 TYR HD% A 62 LEU HDx% 1.0 . 3.56 1468 1123 A 61 TYR HD% A 65 ALA HB% 1.0 . 4.61 1469 1124 A 61 TYR HE% A 62 LEU HA 1.0 . 5.50 1470 1125 A 61 TYR HE% A 62 LEU HDx% 1.0 . 3.58 1471 1126 A 61 TYR HE% A 65 ALA HB% 1.0 . 4.26 1472 1127 A 62 LEU H A 62 LEU HBy 1.0 . 3.39 1473 1128 A 62 LEU H A 62 LEU HG 1.0 . 3.88 1474 1129 A 62 LEU H A 62 LEU HDx% 1.0 . 3.90 1475 1130 A 62 LEU H A 62 LEU HDy% 1.0 . 4.91 1476 1131 A 62 LEU H A 63 GLU H 1.0 . 3.84 1477 1132 A 62 LEU HG A 62 LEU HA 1.0 . 4.25 1478 1133 A 62 LEU HDx% A 62 LEU HA 1.0 . 3.44 1479 1134 A 62 LEU HA A 65 ALA H 1.0 . 4.65 1480 1135 A 62 LEU HA A 65 ALA HB% 1.0 . 3.55 1481 1136 A 62 LEU HA A 66 LEU H 1.0 . 4.80 1482 1137 A 62 LEU HA A 66 LEU HBx 1.0 . 4.67 1483 1137 A 62 LEU HA A 66 LEU HBy 1.0 . 4.67 1484 1138 A 62 LEU HDx% A 62 LEU HBy 1.0 . 3.49 1485 1139 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.36 1486 1140 A 63 GLU H A 62 LEU HBy 1.0 . 4.22 1487 1141 A 62 LEU HDx% A 62 LEU HBx 1.0 . 3.84 1488 1142 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.48 1489 1143 A 63 GLU H A 62 LEU HBx 1.0 . 4.53 1490 1144 A 62 LEU HG A 63 GLU H 1.0 . 5.37 1491 1145 A 66 LEU H A 62 LEU O 1.0 . 2.00 1492 1146 A 62 LEU O A 66 LEU N 1.0 . 3.00 1493 1147 A 62 LEU HDx% A 63 GLU H 1.0 . 4.74 1494 1148 A 63 GLU H A 63 GLU HBy 1.0 . 3.78 1495 1149 A 63 GLU H A 63 GLU HBx 1.0 . 3.78 1496 1150 A 63 GLU H A 63 GLU HGy 1.0 . 4.44 1497 1151 A 63 GLU H A 63 GLU HGx 1.0 . 4.44 1498 1152 A 63 GLU H A 63 GLU HGx 1.0 . 3.85 1499 1152 A 63 GLU H A 63 GLU HGy 1.0 . 3.85 1500 1153 A 63 GLU H A 64 LYS H 1.0 . 4.30 1501 1154 A 63 GLU HGy A 63 GLU HA 1.0 . 4.17 1502 1155 A 63 GLU HA A 63 GLU HGx 1.0 . 4.17 1503 1156 A 63 GLU HA A 63 GLU HGx 1.0 . 3.63 1504 1156 A 63 GLU HGy A 63 GLU HA 1.0 . 3.63 1505 1157 A 66 LEU H A 63 GLU HA 1.0 . 4.59 1506 1158 A 63 GLU HA A 66 LEU HBx 1.0 . 4.34 1507 1158 A 66 LEU HBy A 63 GLU HA 1.0 . 4.34 1508 1159 A 63 GLU HA A 67 ASN H 1.0 . 5.50 1509 1160 A 64 LYS H A 63 GLU HBy 1.0 . 4.69 1510 1161 A 63 GLU HBx A 64 LYS H 1.0 . 4.69 1511 1162 A 67 ASN H A 63 GLU O 1.0 . 2.00 1512 1163 A 63 GLU O A 67 ASN N 1.0 . 3.00 1513 1164 A 63 GLU HBy A 63 GLU HGx 1.0 . 2.36 1514 1164 A 63 GLU HBx A 63 GLU HGx 1.0 . 2.36 1515 1164 A 63 GLU HGy A 63 GLU HBy 1.0 . 2.36 1516 1164 A 63 GLU HBx A 63 GLU HGy 1.0 . 2.36 1517 1165 A 64 LYS H A 63 GLU HBy 1.0 . 4.11 1518 1165 A 63 GLU HBx A 64 LYS H 1.0 . 4.11 1519 1166 A 64 LYS H A 64 LYS HGx 1.0 . 4.71 1520 1167 A 64 LYS H A 64 LYS HGy 1.0 . 4.75 1521 1168 A 64 LYS H A 64 LYS HBx 1.0 . 4.18 1522 1168 A 64 LYS H A 64 LYS HBy 1.0 . 4.18 1523 1169 A 64 LYS H A 64 LYS HDx 1.0 . 5.00 1524 1169 A 64 LYS H A 64 LYS HDy 1.0 . 5.00 1525 1170 A 64 LYS H A 65 ALA H 1.0 . 4.50 1526 1171 A 64 LYS HGx A 64 LYS HA 1.0 . 4.17 1527 1172 A 64 LYS HA A 64 LYS HDx 1.0 . 3.82 1528 1172 A 64 LYS HDy A 64 LYS HA 1.0 . 3.82 1529 1173 A 64 LYS HA A 64 LYS HEx 1.0 . 5.31 1530 1173 A 64 LYS HA A 64 LYS HEy 1.0 . 5.31 1531 1174 A 64 LYS HA A 67 ASN HBy 1.0 . 5.50 1532 1175 A 64 LYS HA A 67 ASN HBx 1.0 . 5.50 1533 1176 A 64 LYS HA A 67 ASN HBx 1.0 . 4.73 1534 1176 A 64 LYS HA A 67 ASN HBy 1.0 . 4.73 1535 1177 A 64 LYS HGx A 64 LYS HDx 1.0 . 2.40 1536 1177 A 64 LYS HGx A 64 LYS HDy 1.0 . 2.40 1537 1178 A 64 LYS HGx A 64 LYS HEx 1.0 . 3.74 1538 1178 A 64 LYS HGx A 64 LYS HEy 1.0 . 3.74 1539 1179 A 65 ALA H A 64 LYS HGx 1.0 . 3.28 1540 1180 A 64 LYS HGy A 64 LYS HDx 1.0 . 2.40 1541 1180 A 64 LYS HGy A 64 LYS HDy 1.0 . 2.40 1542 1181 A 64 LYS HGy A 64 LYS HEx 1.0 . 3.67 1543 1181 A 64 LYS HGy A 64 LYS HEy 1.0 . 3.67 1544 1182 A 65 ALA H A 64 LYS HGy 1.0 . 3.47 1545 1183 A 64 LYS O A 68 LYS H 1.0 . 2.00 1546 1184 A 64 LYS O A 68 LYS N 1.0 . 3.00 1547 1185 A 64 LYS HBx A 64 LYS HDx 1.0 . 3.00 1548 1185 A 64 LYS HBy A 64 LYS HDx 1.0 . 3.00 1549 1185 A 64 LYS HDy A 64 LYS HBx 1.0 . 3.00 1550 1185 A 64 LYS HBy A 64 LYS HDy 1.0 . 3.00 1551 1186 A 64 LYS HBy A 64 LYS HEx 1.0 . 3.77 1552 1186 A 64 LYS HBx A 64 LYS HEx 1.0 . 3.77 1553 1186 A 64 LYS HEy A 64 LYS HBx 1.0 . 3.77 1554 1186 A 64 LYS HBy A 64 LYS HEy 1.0 . 3.77 1555 1187 A 65 ALA H A 64 LYS HBx 1.0 . 4.48 1556 1187 A 64 LYS HBy A 65 ALA H 1.0 . 4.48 1557 1188 A 65 ALA HB% A 65 ALA H 1.0 . 3.13 1558 1189 A 65 ALA H A 66 LEU H 1.0 . 3.93 1559 1190 A 68 LYS H A 65 ALA HA 1.0 . 4.91 1560 1191 A 65 ALA HA A 68 LYS HBy 1.0 . 5.23 1561 1192 A 65 ALA HA A 68 LYS HBx 1.0 . 5.23 1562 1193 A 65 ALA HB% A 66 LEU H 1.0 . 3.42 1563 1194 A 65 ALA HB% A 66 LEU HA 1.0 . 3.78 1564 1195 A 65 ALA HB% A 68 LYS HBy 1.0 . 4.49 1565 1196 A 65 ALA HB% A 68 LYS HBx 1.0 . 4.49 1566 1197 A 65 ALA HB% A 68 LYS HBx 1.0 . 3.73 1567 1197 A 65 ALA HB% A 68 LYS HBy 1.0 . 3.73 1568 1198 A 66 LEU H A 66 LEU HBy 1.0 . 4.18 1569 1199 A 66 LEU H A 66 LEU HBx 1.0 . 4.18 1570 1200 A 66 LEU H A 66 LEU HG 1.0 . 3.83 1571 1201 A 66 LEU H A 66 LEU HBx 1.0 . 3.44 1572 1201 A 66 LEU H A 66 LEU HBy 1.0 . 3.44 1573 1202 A 66 LEU H A 66 LEU HDx% 1.0 . 4.13 1574 1202 A 66 LEU H A 66 LEU HDy% 1.0 . 4.13 1575 1203 A 66 LEU H A 67 ASN H 1.0 . 5.07 1576 1204 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.08 1577 1204 A 66 LEU HA A 66 LEU HDy% 1.0 . 3.08 1578 1205 A 66 LEU HBy A 66 LEU HDy% 1.0 . 3.13 1579 1205 A 66 LEU HBy A 66 LEU HDx% 1.0 . 3.13 1580 1206 A 66 LEU HDy% A 66 LEU HBx 1.0 . 3.13 1581 1206 A 66 LEU HBx A 66 LEU HDx% 1.0 . 3.13 1582 1207 A 67 ASN H A 68 LYS H 1.0 . 4.68 1583 1208 A 67 ASN HBy A 68 LYS H 1.0 . 5.09 1584 1209 A 68 LYS H A 67 ASN HBx 1.0 . 5.09 1585 1210 A 68 LYS H A 67 ASN HBx 1.0 . 4.44 1586 1210 A 67 ASN HBy A 68 LYS H 1.0 . 4.44 1587 1211 A 68 LYS H A 68 LYS HBy 1.0 . 4.05 1588 1212 A 68 LYS H A 68 LYS HBx 1.0 . 4.05 1589 1213 A 68 LYS H A 68 LYS HBx 1.0 . 3.53 1590 1213 A 68 LYS H A 68 LYS HBy 1.0 . 3.53 1591 1214 A 68 LYS H A 68 LYS HDx 1.0 . 5.23 1592 1214 A 68 LYS H A 68 LYS HDy 1.0 . 5.23 1593 1215 A 68 LYS H A 68 LYS HGx 1.0 . 4.54 1594 1215 A 68 LYS H A 68 LYS HGy 1.0 . 4.54 1595 1216 A 68 LYS HA A 68 LYS HDx 1.0 . 3.86 1596 1216 A 68 LYS HDy A 68 LYS HA 1.0 . 3.86 1597 1217 A 68 LYS HA A 68 LYS HGx 1.0 . 3.92 1598 1217 A 68 LYS HGy A 68 LYS HA 1.0 . 3.92 1599 1218 A 68 LYS HBy A 68 LYS HDy 1.0 . 2.57 1600 1218 A 68 LYS HBy A 68 LYS HDx 1.0 . 2.57 1601 1219 A 68 LYS HDy A 68 LYS HBx 1.0 . 2.57 1602 1219 A 68 LYS HBx A 68 LYS HDx 1.0 . 2.57 1603 1220 A 68 LYS HBx A 68 LYS HDx 1.0 . 2.20 1604 1220 A 68 LYS HBy A 68 LYS HDx 1.0 . 2.20 1605 1220 A 68 LYS HDy A 68 LYS HBx 1.0 . 2.20 1606 1220 A 68 LYS HBy A 68 LYS HDy 1.0 . 2.20 1607 1221 A 68 LYS HDy A 68 LYS HGx 1.0 . 2.40 1608 1221 A 68 LYS HGy A 68 LYS HDx 1.0 . 2.40 1609 1221 A 68 LYS HDy A 68 LYS HGy 1.0 . 2.40 1610 1221 A 68 LYS HDx A 68 LYS HGx 1.0 . 2.40 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 8 ARG C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -144.0 -113.1 PHI 2 2 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 138.8 167.9 PSI 3 3 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -146.4 -98.6 PHI 4 4 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 126.1 177.1 PSI 5 5 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -133.9 -89.0 PHI 6 6 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 128.1 149.7 PSI 7 7 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -104.9 -67.2 PHI 8 8 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 122.4 148.0 PSI 9 9 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -113.2 -64.4 PHI 10 10 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 94.7 136.6 PSI 11 11 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -69.5 -49.5 PHI 12 12 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -40.9 -11.5 PSI 13 13 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.2 -52.9 PHI 14 14 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ASN N 1.0 -44.8 -8.6 PSI 15 15 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -137.6 -97.1 PHI 16 16 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 130.2 153.2 PSI 17 17 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -127.8 -88.2 PHI 18 18 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 115.6 135.6 PSI 19 19 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -113.9 -93.9 PHI 20 20 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ASN N 1.0 108.4 136.7 PSI 21 21 A 29 LEU C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -120.0 -90.0 PHI 22 22 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 THR N 1.0 112.0 132.0 PSI 23 23 A 30 ASN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -123.0 -79.4 PHI 24 24 A 31 THR N A 31 THR CA A 31 THR C A 32 PRO N 1.0 114.2 159.3 PSI 25 25 A 36 LEU C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -143.4 -87.4 PHI 26 26 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ILE N 1.0 126.5 149.2 PSI 27 27 A 37 GLN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -121.2 -100.9 PHI 28 28 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 121.1 141.1 PSI 29 29 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -127.3 -105.7 PHI 30 30 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ALA N 1.0 120.9 145.5 PSI 31 31 A 39 VAL C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -143.5 -115.5 PHI 32 32 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ARG N 1.0 129.3 153.0 PSI 33 33 A 40 ALA C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -136.5 -100.9 PHI 34 34 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 115.0 144.3 PSI 35 35 A 43 LYS C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -78.5 -58.5 PHI 36 36 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 ASN N 1.0 -36.9 -16.9 PSI 37 37 A 44 ASN C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -93.3 -66.3 PHI 38 38 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ASN N 1.0 -42.2 -8.8 PSI 39 39 A 46 ASN C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -105.1 -61.7 PHI 40 40 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLN N 1.0 117.0 150.9 PSI 41 41 A 47 ARG C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -107.3 -80.5 PHI 42 42 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 VAL N 1.0 120.6 157.5 PSI 43 43 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -139.4 -102.7 PHI 44 44 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASP N 1.0 119.7 140.4 PSI 45 45 A 51 ILE C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -132.8 -66.0 PHI 46 46 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 98.2 167.1 PSI 47 47 A 55 LEU C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -68.0 -48.0 PHI 48 48 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 TRP N 1.0 -48.9 -28.9 PSI 49 49 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -85.1 -57.7 PHI 50 50 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 ILE N 1.0 -38.9 2.3 PSI 51 51 A 57 TRP C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -77.6 -57.6 PHI 52 52 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 GLN N 1.0 -50.8 -30.8 PSI 53 53 A 58 ILE C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -71.6 -51.6 PHI 54 54 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -53.3 -33.3 PSI 55 55 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -76.1 -56.1 PHI 56 56 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -51.3 -31.3 PSI 57 57 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -72.3 -52.3 PHI 58 58 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 LEU N 1.0 -54.3 -34.3 PSI 59 59 A 61 TYR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -73.0 -53.0 PHI 60 60 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -48.1 -28.1 PSI 61 61 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -76.4 -56.4 PHI 62 62 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -49.0 -29.0 PSI 63 63 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -78.5 -56.7 PHI 64 64 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -47.2 -24.5 PSI 65 65 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -91.4 -63.3 PHI 66 66 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 ASN N 1.0 -40.4 -6.1 PSI stop_ save_