data_nef_c16142_2kec 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 16143 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 8.387 0.020 A 1 LYS HA H 1 4.615 0.020 A 1 LYS HBy H 1 1.760 0.020 A 1 LYS HBx H 1 1.627 0.001 A 1 LYS HDx H 1 1.619 0.009 A 1 LYS HDy H 1 1.619 0.009 A 1 LYS HEx H 1 2.935 0.004 A 1 LYS HEy H 1 2.935 0.004 A 1 LYS HGx H 1 1.432 0.020 A 1 LYS HGy H 1 1.432 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 4.412 0.020 A 2 PRO HBy H 1 2.247 0.009 A 2 PRO HBx H 1 1.840 0.001 A 2 PRO HDy H 1 3.809 0.020 A 2 PRO HDx H 1 3.599 0.020 A 2 PRO HGx H 1 1.992 0.020 A 2 PRO HGy H 1 1.992 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 8.222 0.020 A 3 VAL HA H 1 4.054 0.020 A 3 VAL HB H 1 2.019 0.020 A 3 VAL HGx% H 1 0.912 0.020 A 3 VAL HGy% H 1 0.912 0.020 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 8.266 0.020 A 4 SER HA H 1 4.405 0.004 A 4 SER HBx H 1 3.780 0.020 A 4 SER HBy H 1 3.780 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 8.268 0.020 A 5 LEU HA H 1 4.316 0.020 A 5 LEU HBy H 1 1.554 0.020 A 5 LEU HBx H 1 1.471 0.020 A 5 LEU HDx% H 1 0.826 0.020 A 5 LEU HDy% H 1 0.826 0.020 A 5 LEU HG H 1 1.580 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 8.131 0.020 A 6 SER HA H 1 4.344 0.020 A 6 SER HBx H 1 3.736 0.006 A 6 SER HBy H 1 3.736 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 7.966 0.020 A 7 TYR HA H 1 4.506 0.020 A 7 TYR HBy H 1 3.011 0.020 A 7 TYR HBx H 1 2.865 0.003 A 7 TYR HD1 H 1 7.052 0.020 A 7 TYR HD2 H 1 7.052 0.020 A 7 TYR HE1 H 1 6.762 0.020 A 7 TYR HE2 H 1 6.762 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 13 118.336 0.004 A 7 TYR N N 15 122.213 0.200 A 8 ARG H H 1 8.114 0.020 A 8 ARG HA H 1 4.249 0.020 A 8 ARG HBy H 1 1.750 0.020 A 8 ARG HBx H 1 1.650 0.020 A 8 ARG HDx H 1 3.112 0.020 A 8 ARG HDy H 1 3.112 0.020 A 8 ARG HGx H 1 1.488 0.004 A 8 ARG HGy H 1 1.488 0.004 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 30.874 0.200 A 8 ARG CD C 13 43.813 0.005 A 8 ARG CG C 13 27.122 0.056 A 8 ARG N N 15 122.182 0.200 A 9 CYS H H 1 8.103 0.012 A 9 CYS HA H 1 4.905 0.020 A 9 CYS HBx H 1 2.677 0.020 A 9 CYS HBy H 1 3.199 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 4.271 0.020 A 10 PRO HBy H 1 2.257 0.020 A 10 PRO HBx H 1 1.832 0.020 A 10 PRO HDx H 1 3.818 0.020 A 10 PRO HDy H 1 3.818 0.020 A 10 PRO HGx H 1 2.000 0.020 A 10 PRO HGy H 1 2.000 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 51.274 0.048 A 10 PRO CG C 13 27.682 0.065 A 11 CYS H H 1 8.244 0.020 A 11 CYS HA H 1 4.823 0.004 A 11 CYS HBy H 1 2.933 0.020 A 11 CYS HBx H 1 2.740 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 3.980 0.020 A 12 ARG HBy H 1 1.518 0.004 A 12 ARG HBx H 1 1.471 0.001 A 12 ARG HDx H 1 2.947 0.020 A 12 ARG HDy H 1 2.947 0.020 A 12 ARG HGy H 1 1.273 0.020 A 12 ARG HGx H 1 1.181 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 7.516 0.020 A 13 PHE HA H 1 4.483 0.002 A 13 PHE HBy H 1 3.062 0.020 A 13 PHE HBx H 1 2.782 0.020 A 13 PHE HD1 H 1 7.149 0.020 A 13 PHE HD2 H 1 7.149 0.020 A 13 PHE HE1 H 1 7.290 0.002 A 13 PHE HE2 H 1 7.290 0.002 A 13 PHE HZ H 1 7.258 0.002 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 41.046 0.050 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 8.304 0.003 A 14 PHE HA H 1 4.790 0.002 A 14 PHE HBx H 1 2.734 0.020 A 14 PHE HBy H 1 2.783 0.020 A 14 PHE HD1 H 1 6.968 0.020 A 14 PHE HD2 H 1 6.968 0.020 A 14 PHE HE1 H 1 7.261 0.020 A 14 PHE HE2 H 1 7.261 0.020 A 14 PHE HZ H 1 7.200 0.002 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 8.900 0.020 A 15 GLU HA H 1 4.521 0.020 A 15 GLU HBy H 1 2.067 0.004 A 15 GLU HBx H 1 1.951 0.020 A 15 GLU HGy H 1 2.356 0.020 A 15 GLU HGx H 1 2.225 0.020 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 8.751 0.020 A 16 SER HA H 1 4.704 0.020 A 16 SER HBy H 1 3.859 0.020 A 16 SER HBx H 1 3.662 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 15 119.592 0.200 A 17 HIS H H 1 9.062 0.020 A 17 HIS HA H 1 4.869 0.020 A 17 HIS HBy H 1 3.358 0.020 A 17 HIS HBx H 1 3.206 0.020 A 17 HIS HD2 H 1 7.320 0.020 A 17 HIS HE1 H 1 8.531 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 13 120.395 0.200 A 17 HIS CE1 C 13 136.711 0.200 A 17 HIS N N 15 120.850 0.200 A 18 VAL H H 1 7.209 0.002 A 18 VAL HA H 1 4.243 0.020 A 18 VAL HB H 1 1.945 0.020 A 18 VAL HGx% H 1 0.884 0.020 A 18 VAL HGy% H 1 0.884 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 21.814 0.020 A 18 VAL N N 15 119.150 0.200 A 19 ALA H H 1 8.549 0.004 A 19 ALA HA H 1 4.343 0.020 A 19 ALA HB% H 1 1.278 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 15 131.434 0.200 A 20 ARG H H 1 7.714 0.007 A 20 ARG HA H 1 2.575 0.004 A 20 ARG HBx H 1 0.319 0.020 A 20 ARG HBy H 1 0.994 0.020 A 20 ARG HDx H 1 2.696 0.004 A 20 ARG HDy H 1 2.696 0.004 A 20 ARG HGy H 1 1.054 0.020 A 20 ARG HGx H 1 0.832 0.020 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 8.132 0.005 A 21 ALA HA H 1 4.003 0.020 A 21 ALA HB% H 1 1.239 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 7.702 0.020 A 22 ASN HA H 1 4.902 0.003 A 22 ASN HBy H 1 3.085 0.020 A 22 ASN HBx H 1 2.680 0.020 A 22 ASN HD2y H 1 7.716 0.020 A 22 ASN HD2x H 1 7.084 0.020 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 40.334 0.016 A 22 ASN N N 15 112.797 0.200 A 22 ASN ND2 N 15 112.094 0.005 A 23 VAL H H 1 7.436 0.009 A 23 VAL HA H 1 4.391 0.020 A 23 VAL HB H 1 2.053 0.020 A 23 VAL HGx% H 1 0.827 0.020 A 23 VAL HGy% H 1 0.827 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 33.775 0.200 A 23 VAL CG1 C 13 21.474 0.200 A 23 VAL N N 15 118.016 0.200 A 24 LYS H H 1 9.241 0.005 A 24 LYS HA H 1 4.434 0.020 A 24 LYS HBy H 1 1.520 0.020 A 24 LYS HBx H 1 1.491 0.020 A 24 LYS HDx H 1 1.578 0.020 A 24 LYS HDy H 1 1.578 0.020 A 24 LYS HEy H 1 2.909 0.020 A 24 LYS HEx H 1 2.796 0.020 A 24 LYS HGx H 1 1.163 0.020 A 24 LYS HGy H 1 1.163 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 15 124.441 0.200 A 25 HIS H H 1 7.950 0.020 A 25 HIS HA H 1 4.623 0.020 A 25 HIS HBx H 1 3.127 0.020 A 25 HIS HBy H 1 3.144 0.020 A 25 HIS HD2 H 1 7.107 0.020 A 25 HIS HE1 H 1 8.335 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 13 137.229 0.200 A 25 HIS N N 15 115.370 0.200 A 26 LEU H H 1 8.307 0.020 A 26 LEU HA H 1 4.987 0.020 A 26 LEU HBy H 1 1.374 0.020 A 26 LEU HBx H 1 1.211 0.020 A 26 LEU HDx% H 1 0.601 0.020 A 26 LEU HDy% H 1 0.522 0.020 A 26 LEU HG H 1 1.358 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 9.028 0.020 A 27 LYS HA H 1 4.574 0.020 A 27 LYS HBx H 1 1.660 0.004 A 27 LYS HBy H 1 1.724 0.020 A 27 LYS HDx H 1 1.611 0.020 A 27 LYS HDy H 1 1.611 0.020 A 27 LYS HEx H 1 2.855 0.008 A 27 LYS HEy H 1 2.855 0.008 A 27 LYS HGx H 1 1.271 0.020 A 27 LYS HGy H 1 1.271 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 8.523 0.003 A 28 ILE HA H 1 4.619 0.020 A 28 ILE HB H 1 1.717 0.020 A 28 ILE HD1% H 1 0.760 0.020 A 28 ILE HG1y H 1 1.515 0.020 A 28 ILE HG1x H 1 1.013 0.006 A 28 ILE HG2% H 1 0.780 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 8.918 0.020 A 29 LEU HA H 1 4.548 0.004 A 29 LEU HBx H 1 1.532 0.020 A 29 LEU HBy H 1 1.532 0.020 A 29 LEU HDx% H 1 0.765 0.004 A 29 LEU HDy% H 1 0.765 0.004 A 29 LEU HG H 1 1.494 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 8.725 0.020 A 30 ASN HA H 1 4.949 0.020 A 30 ASN HBy H 1 2.733 0.006 A 30 ASN HBx H 1 2.442 0.020 A 30 ASN HD2y H 1 7.473 0.020 A 30 ASN HD2x H 1 6.615 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 15 111.126 0.094 A 31 THR H H 1 8.090 0.001 A 31 THR HA H 1 4.624 0.020 A 31 THR HB H 1 3.952 0.020 A 31 THR HG2% H 1 1.222 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 4.202 0.020 A 32 PRO HBy H 1 2.231 0.003 A 32 PRO HBx H 1 1.762 0.004 A 32 PRO HDx H 1 3.651 0.002 A 32 PRO HDy H 1 3.817 0.020 A 32 PRO HGy H 1 1.999 0.020 A 32 PRO HGx H 1 1.908 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 8.500 0.003 A 33 ASN HA H 1 4.338 0.020 A 33 ASN HBx H 1 2.698 0.002 A 33 ASN HBy H 1 2.752 0.002 A 33 ASN HD2y H 1 7.264 0.001 A 33 ASN HD2x H 1 6.870 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 7.523 0.003 A 34 CYS HA H 1 4.874 0.020 A 34 CYS HBy H 1 3.133 0.020 A 34 CYS HBx H 1 2.874 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 8.391 0.020 A 35 ALA HA H 1 4.201 0.020 A 35 ALA HB% H 1 1.393 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 8.000 0.020 A 36 LEU HA H 1 4.202 0.020 A 36 LEU HBx H 1 1.432 0.020 A 36 LEU HBy H 1 1.525 0.020 A 36 LEU HDx% H 1 0.812 0.020 A 36 LEU HDy% H 1 0.761 0.020 A 36 LEU HG H 1 1.500 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 8.467 0.001 A 37 GLN HA H 1 4.617 0.020 A 37 GLN HBy H 1 2.139 0.020 A 37 GLN HBx H 1 1.977 0.020 A 37 GLN HE2y H 1 7.260 0.002 A 37 GLN HE2x H 1 6.591 0.004 A 37 GLN HGx H 1 2.350 0.020 A 37 GLN HGy H 1 2.420 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 32.480 0.200 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 9.426 0.002 A 38 ILE HA H 1 4.714 0.020 A 38 ILE HB H 1 1.824 0.020 A 38 ILE HD1% H 1 0.669 0.020 A 38 ILE HG1y H 1 1.401 0.020 A 38 ILE HG1x H 1 0.930 0.020 A 38 ILE HG2% H 1 0.628 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 8.869 0.002 A 39 VAL HA H 1 5.047 0.020 A 39 VAL HB H 1 1.873 0.020 A 39 VAL HGx% H 1 0.836 0.020 A 39 VAL HGy% H 1 0.836 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 15 124.252 0.200 A 40 ALA H H 1 9.252 0.020 A 40 ALA HA H 1 5.228 0.020 A 40 ALA HB% H 1 1.274 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 15 126.142 0.200 A 41 ARG H H 1 8.395 0.020 A 41 ARG HA H 1 5.123 0.020 A 41 ARG HBy H 1 1.631 0.020 A 41 ARG HBx H 1 1.551 0.002 A 41 ARG HDx H 1 3.039 0.020 A 41 ARG HDy H 1 3.039 0.020 A 41 ARG HGx H 1 1.523 0.020 A 41 ARG HGy H 1 1.573 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 8.998 0.020 A 42 LEU HA H 1 4.906 0.020 A 42 LEU HBx H 1 1.721 0.020 A 42 LEU HBy H 1 2.167 0.020 A 42 LEU HDx% H 1 0.977 0.020 A 42 LEU HDy% H 1 0.757 0.020 A 42 LEU HG H 1 1.782 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 23.013 0.085 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 8.456 0.020 A 43 LYS HA H 1 3.810 0.020 A 43 LYS HBy H 1 1.825 0.020 A 43 LYS HBx H 1 1.653 0.020 A 43 LYS HDx H 1 1.672 0.006 A 43 LYS HDy H 1 1.672 0.006 A 43 LYS HEy H 1 2.922 0.020 A 43 LYS HEx H 1 2.888 0.020 A 43 LYS HGy H 1 1.236 0.020 A 43 LYS HGx H 1 1.148 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 8.659 0.020 A 44 ASN HA H 1 4.429 0.020 A 44 ASN HBy H 1 2.903 0.004 A 44 ASN HBx H 1 2.796 0.002 A 44 ASN HD2y H 1 7.591 0.020 A 44 ASN HD2x H 1 6.792 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 N N 15 114.992 0.200 A 44 ASN ND2 N 15 112.400 0.200 A 45 ASN H H 1 7.532 0.020 A 45 ASN HA H 1 4.650 0.020 A 45 ASN HBx H 1 2.722 0.006 A 45 ASN HBy H 1 2.983 0.020 A 45 ASN HD2y H 1 7.454 0.005 A 45 ASN HD2x H 1 6.521 0.020 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 8.031 0.020 A 46 ASN HA H 1 4.645 0.008 A 46 ASN HBy H 1 3.089 0.020 A 46 ASN HBx H 1 2.668 0.020 A 46 ASN HD2y H 1 7.563 0.020 A 46 ASN HD2x H 1 6.873 0.020 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 39.093 0.040 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 7.940 0.020 A 47 ARG HA H 1 4.202 0.020 A 47 ARG HBx H 1 1.674 0.001 A 47 ARG HBy H 1 1.721 0.020 A 47 ARG HDy H 1 3.174 0.020 A 47 ARG HDx H 1 3.093 0.020 A 47 ARG HGx H 1 1.572 0.001 A 47 ARG HGy H 1 1.572 0.001 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 8.638 0.020 A 48 GLN HA H 1 5.185 0.020 A 48 GLN HBy H 1 1.951 0.020 A 48 GLN HBx H 1 1.839 0.020 A 48 GLN HE2y H 1 7.481 0.020 A 48 GLN HE2x H 1 6.831 0.020 A 48 GLN HGx H 1 2.081 0.002 A 48 GLN HGy H 1 2.177 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 9.008 0.020 A 49 VAL HA H 1 4.744 0.020 A 49 VAL HB H 1 2.133 0.020 A 49 VAL HGx% H 1 0.868 0.020 A 49 VAL HGy% H 1 0.762 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 15 119.717 0.200 A 50 CYS H H 1 8.829 0.020 A 50 CYS HA H 1 5.601 0.020 A 50 CYS HBy H 1 3.684 0.020 A 50 CYS HBx H 1 2.974 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 8.652 0.020 A 51 ILE HA H 1 4.437 0.006 A 51 ILE HB H 1 1.467 0.020 A 51 ILE HD1% H 1 0.637 0.020 A 51 ILE HG1y H 1 1.255 0.020 A 51 ILE HG1x H 1 1.034 0.020 A 51 ILE HG2% H 1 0.658 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 15 122.929 0.200 A 52 ASP H H 1 7.725 0.020 A 52 ASP HA H 1 3.646 0.020 A 52 ASP HBx H 1 2.199 0.020 A 52 ASP HBy H 1 2.623 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 15 126.520 0.200 A 53 PRO HA H 1 3.986 0.020 A 53 PRO HBy H 1 1.920 0.020 A 53 PRO HBx H 1 1.766 0.020 A 53 PRO HDx H 1 3.310 0.020 A 53 PRO HDy H 1 3.602 0.020 A 53 PRO HGy H 1 1.774 0.020 A 53 PRO HGx H 1 1.727 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 8.050 0.020 A 54 LYS HA H 1 3.950 0.020 A 54 LYS HBx H 1 1.676 0.001 A 54 LYS HBy H 1 1.676 0.001 A 54 LYS HDx H 1 1.606 0.020 A 54 LYS HDy H 1 1.606 0.020 A 54 LYS HEx H 1 2.936 0.020 A 54 LYS HEy H 1 2.936 0.020 A 54 LYS HGx H 1 1.272 0.002 A 54 LYS HGy H 1 1.272 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 7.166 0.020 A 55 LEU HA H 1 4.017 0.002 A 55 LEU HBx H 1 1.025 0.020 A 55 LEU HBy H 1 1.222 0.020 A 55 LEU HDx% H 1 1.011 0.020 A 55 LEU HDy% H 1 0.980 0.020 A 55 LEU HG H 1 1.754 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 27.172 0.083 A 55 LEU N N 15 120.921 0.200 A 56 LYS H H 1 8.764 0.020 A 56 LYS HA H 1 3.894 0.001 A 56 LYS HBx H 1 1.966 0.020 A 56 LYS HBy H 1 1.966 0.020 A 56 LYS HDx H 1 1.732 0.020 A 56 LYS HDy H 1 1.732 0.020 A 56 LYS HEx H 1 3.021 0.002 A 56 LYS HEy H 1 3.021 0.002 A 56 LYS HGy H 1 1.549 0.003 A 56 LYS HGx H 1 1.479 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 7.900 0.020 A 57 TRP HA H 1 4.607 0.003 A 57 TRP HBy H 1 3.588 0.020 A 57 TRP HBx H 1 3.268 0.020 A 57 TRP HD1 H 1 7.662 0.020 A 57 TRP HE1 H 1 10.312 0.020 A 57 TRP HE3 H 1 6.551 0.020 A 57 TRP HH2 H 1 6.624 0.020 A 57 TRP HZ2 H 1 6.920 0.020 A 57 TRP HZ3 H 1 7.304 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 6.290 0.002 A 58 ILE HA H 1 3.623 0.020 A 58 ILE HB H 1 1.247 0.020 A 58 ILE HD1% H 1 0.087 0.002 A 58 ILE HG1y H 1 0.613 0.020 A 58 ILE HG1x H 1 -0.035 0.020 A 58 ILE HG2% H 1 0.553 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 15 123.463 0.081 A 59 GLN H H 1 7.653 0.020 A 59 GLN HA H 1 3.807 0.020 A 59 GLN HBx H 1 2.138 0.020 A 59 GLN HBy H 1 2.138 0.020 A 59 GLN HE2y H 1 7.551 0.005 A 59 GLN HE2x H 1 6.742 0.001 A 59 GLN HGy H 1 2.388 0.004 A 59 GLN HGx H 1 2.311 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 8.051 0.006 A 60 GLU HA H 1 4.074 0.020 A 60 GLU HBy H 1 2.167 0.020 A 60 GLU HBx H 1 2.065 0.020 A 60 GLU HGy H 1 2.416 0.020 A 60 GLU HGx H 1 2.237 0.020 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 8.000 0.020 A 61 TYR HA H 1 4.212 0.020 A 61 TYR HBy H 1 3.340 0.020 A 61 TYR HBx H 1 3.230 0.020 A 61 TYR HD1 H 1 7.053 0.004 A 61 TYR HD2 H 1 7.053 0.004 A 61 TYR HE1 H 1 6.757 0.007 A 61 TYR HE2 H 1 6.757 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 13 118.333 0.004 A 61 TYR N N 15 121.039 0.200 A 62 LEU H H 1 8.468 0.020 A 62 LEU HA H 1 3.840 0.020 A 62 LEU HBy H 1 1.884 0.020 A 62 LEU HBx H 1 1.411 0.020 A 62 LEU HDx% H 1 0.774 0.020 A 62 LEU HDy% H 1 0.765 0.002 A 62 LEU HG H 1 1.889 0.002 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 7.848 0.020 A 63 GLU HA H 1 3.965 0.020 A 63 GLU HBy H 1 2.137 0.020 A 63 GLU HBx H 1 2.059 0.001 A 63 GLU HGy H 1 2.391 0.020 A 63 GLU HGx H 1 2.299 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 15 118.016 0.200 A 64 LYS H H 1 7.643 0.005 A 64 LYS HA H 1 4.147 0.020 A 64 LYS HBx H 1 1.817 0.020 A 64 LYS HBy H 1 1.817 0.020 A 64 LYS HDx H 1 1.648 0.020 A 64 LYS HDy H 1 1.648 0.020 A 64 LYS HEx H 1 2.969 0.003 A 64 LYS HEy H 1 2.969 0.003 A 64 LYS HGx H 1 1.421 0.020 A 64 LYS HGy H 1 1.529 0.020 A 64 LYS C C 13 177.941 0.005 A 64 LYS CA C 13 57.782 0.200 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 8.003 0.007 A 65 ALA HA H 1 4.064 0.020 A 65 ALA HB% H 1 1.156 0.002 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 7.787 0.002 A 66 LEU HA H 1 4.266 0.020 A 66 LEU HBy H 1 1.700 0.020 A 66 LEU HBx H 1 1.557 0.020 A 66 LEU HDx% H 1 0.772 0.020 A 66 LEU HDy% H 1 0.772 0.020 A 66 LEU HG H 1 1.700 0.020 A 66 LEU CA C 13 55.593 0.200 A 66 LEU CB C 13 42.340 0.161 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 15 116.126 0.200 A 67 ASN H H 1 7.910 0.001 A 67 ASN HA H 1 4.799 0.020 A 67 ASN HBy H 1 2.854 0.020 A 67 ASN HBx H 1 2.742 0.020 A 67 ASN HD2y H 1 7.707 0.020 A 67 ASN HD2x H 1 7.069 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 7.690 0.005 A 68 LYS HA H 1 4.141 0.020 A 68 LYS HBy H 1 1.811 0.020 A 68 LYS HBx H 1 1.716 0.020 A 68 LYS HDx H 1 1.655 0.020 A 68 LYS HDy H 1 1.655 0.020 A 68 LYS HEx H 1 2.944 0.020 A 68 LYS HEy H 1 2.944 0.020 A 68 LYS HGx H 1 1.374 0.020 A 68 LYS HGy H 1 1.374 0.020 A 68 LYS C C 13 181.391 0.200 A 68 LYS CA C 13 57.922 0.200 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 . 4.02 6 4 A 1 LYS HA A 2 PRO HDx 1.0 . 4.02 7 5 A 1 LYS HA A 2 PRO HDx 1.0 . 3.38 8 5 A 1 LYS HA A 2 PRO HDy 1.0 . 3.38 9 6 A 1 LYS HBx A 1 LYS HDx 1.0 . 3.31 10 6 A 1 LYS HBy A 1 LYS HDx 1.0 . 3.31 11 6 A 1 LYS HDy A 1 LYS HBy 1.0 . 3.31 12 6 A 1 LYS HDy A 1 LYS HBx 1.0 . 3.31 13 7 A 1 LYS HBx A 1 LYS HEx 1.0 . 3.23 14 7 A 1 LYS HBy A 1 LYS HEx 1.0 . 3.23 15 7 A 1 LYS HEy A 1 LYS HBy 1.0 . 3.23 16 7 A 1 LYS HEy A 1 LYS HBx 1.0 . 3.23 17 8 A 1 LYS HBy A 2 PRO HDx 1.0 . 4.38 18 8 A 2 PRO HDy A 1 LYS HBy 1.0 . 4.38 19 8 A 2 PRO HDy A 1 LYS HBx 1.0 . 4.38 20 8 A 1 LYS HBx A 2 PRO HDx 1.0 . 4.38 21 9 A 1 LYS HGx A 2 PRO HDx 1.0 . 5.35 22 9 A 1 LYS HGy A 2 PRO HDx 1.0 . 5.35 23 9 A 2 PRO HDy A 1 LYS HGx 1.0 . 5.35 24 9 A 2 PRO HDy A 1 LYS HGy 1.0 . 5.35 25 10 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.84 26 10 A 3 VAL HA A 3 VAL HGy% 1.0 . 3.84 27 11 A 3 VAL HA A 4 SER H 1.0 . 3.32 28 12 A 4 SER H A 4 SER HBx 1.0 . 3.82 29 12 A 4 SER H A 4 SER HBy 1.0 . 3.82 30 13 A 4 SER HA A 5 LEU H 1.0 . 3.18 31 14 A 5 LEU H A 5 LEU HBx 1.0 . 3.40 32 14 A 5 LEU H A 5 LEU HBy 1.0 . 3.40 33 15 A 5 LEU H A 5 LEU HDx% 1.0 . 5.33 34 15 A 5 LEU H A 5 LEU HDy% 1.0 . 5.33 35 16 A 5 LEU HA A 5 LEU HDx% 1.0 . 3.79 36 16 A 5 LEU HDy% A 5 LEU HA 1.0 . 3.79 37 17 A 5 LEU HA A 6 SER H 1.0 . 3.11 38 18 A 5 LEU HBy A 5 LEU HDy% 1.0 . 3.57 39 18 A 5 LEU HBy A 5 LEU HDx% 1.0 . 3.57 40 19 A 5 LEU HDy% A 5 LEU HBx 1.0 . 3.57 41 19 A 5 LEU HBx A 5 LEU HDx% 1.0 . 3.57 42 20 A 5 LEU HG A 5 LEU HBx 1.0 . 2.52 43 20 A 5 LEU HBy A 5 LEU HG 1.0 . 2.52 44 21 A 6 SER H A 6 SER HBx 1.0 . 3.95 45 21 A 6 SER H A 6 SER HBy 1.0 . 3.95 46 22 A 6 SER HA A 7 TYR H 1.0 . 3.02 47 23 A 7 TYR H A 6 SER HBx 1.0 . 4.57 48 23 A 6 SER HBy A 7 TYR H 1.0 . 4.57 49 24 A 7 TYR H A 7 TYR HBy 1.0 . 4.04 50 25 A 7 TYR H A 7 TYR HBx 1.0 . 4.04 51 26 A 7 TYR H A 7 TYR HBx 1.0 . 3.38 52 26 A 7 TYR H A 7 TYR HBy 1.0 . 3.38 53 27 A 7 TYR H A 7 TYR HD% 1.0 . 4.12 54 28 A 7 TYR HD% A 7 TYR HA 1.0 . 4.19 55 29 A 7 TYR HA A 7 TYR HE% 1.0 . 5.16 56 30 A 7 TYR HA A 8 ARG H 1.0 . 3.35 57 31 A 8 ARG H A 7 TYR HBx 1.0 . 3.85 58 31 A 7 TYR HBy A 8 ARG H 1.0 . 3.85 59 32 A 7 TYR HD% A 8 ARG H 1.0 . 4.67 60 33 A 8 ARG H A 8 ARG HBy 1.0 . 3.84 61 34 A 8 ARG H A 8 ARG HBx 1.0 . 3.84 62 35 A 8 ARG H A 8 ARG HBy 1.0 . 3.34 63 35 A 8 ARG H A 8 ARG HBx 1.0 . 3.34 64 36 A 8 ARG H A 8 ARG HDx 1.0 . 4.69 65 36 A 8 ARG H A 8 ARG HDy 1.0 . 4.69 66 37 A 8 ARG H A 8 ARG HGx 1.0 . 3.59 67 37 A 8 ARG H A 8 ARG HGy 1.0 . 3.59 68 38 A 8 ARG HA A 8 ARG HDx 1.0 . 4.99 69 38 A 8 ARG HDy A 8 ARG HA 1.0 . 4.99 70 39 A 8 ARG HA A 8 ARG HGx 1.0 . 3.82 71 39 A 8 ARG HGy A 8 ARG HA 1.0 . 3.82 72 40 A 8 ARG HA A 9 CYS H 1.0 . 3.19 73 41 A 9 CYS H A 8 ARG HBy 1.0 . 4.15 74 42 A 8 ARG HBx A 9 CYS H 1.0 . 4.15 75 43 A 8 ARG HBy A 8 ARG HDx 1.0 . 3.52 76 43 A 8 ARG HBx A 8 ARG HDx 1.0 . 3.52 77 43 A 8 ARG HDy A 8 ARG HBy 1.0 . 3.52 78 43 A 8 ARG HBx A 8 ARG HDy 1.0 . 3.52 79 44 A 8 ARG HGy A 10 PRO HDx 1.0 . 5.08 80 44 A 8 ARG HGx A 10 PRO HDx 1.0 . 5.08 81 44 A 10 PRO HDy A 8 ARG HGx 1.0 . 5.08 82 44 A 8 ARG HGy A 10 PRO HDy 1.0 . 5.08 83 45 A 9 CYS H A 8 ARG HGx 1.0 . 4.04 84 45 A 8 ARG HGy A 9 CYS H 1.0 . 4.04 85 46 A 9 CYS CB A 34 CYS SG 1.0 . 3.10 86 47 A 9 CYS H A 9 CYS HBx 1.0 . 3.55 87 48 A 9 CYS H A 9 CYS HBy 1.0 . 3.83 88 49 A 9 CYS HA A 10 PRO HDx 1.0 . 3.20 89 49 A 10 PRO HDy A 9 CYS HA 1.0 . 3.20 90 50 A 9 CYS HA A 10 PRO HGx 1.0 . 4.51 91 50 A 9 CYS HA A 10 PRO HGy 1.0 . 4.51 92 51 A 9 CYS HA A 31 THR HB 1.0 . 5.50 93 52 A 9 CYS HA A 31 THR HG2% 1.0 . 4.40 94 53 A 9 CYS HBx A 10 PRO HDx 1.0 . 4.36 95 53 A 10 PRO HDy A 9 CYS HBx 1.0 . 4.36 96 54 A 9 CYS HBx A 37 GLN HE2x 1.0 . 5.50 97 55 A 9 CYS HBy A 10 PRO HDx 1.0 . 4.33 98 55 A 10 PRO HDy A 9 CYS HBy 1.0 . 4.33 99 56 A 9 CYS HBy A 11 CYS H 1.0 . 4.55 100 57 A 9 CYS HBy A 31 THR HG2% 1.0 . 5.50 101 58 A 9 CYS HBy A 37 GLN HE2y 1.0 . 5.50 102 59 A 9 CYS HBy A 37 GLN HE2x 1.0 . 5.50 103 60 A 9 CYS SG A 34 CYS CB 1.0 . 3.10 104 61 A 34 CYS SG A 9 CYS SG 1.0 . 2.10 105 62 A 10 PRO HBy A 29 LEU HG 1.0 . 4.66 106 63 A 10 PRO HBy A 29 LEU HDx% 1.0 . 5.50 107 63 A 10 PRO HBy A 29 LEU HDy% 1.0 . 5.50 108 64 A 11 CYS H A 10 PRO HBx 1.0 . 4.12 109 65 A 10 PRO HBx A 29 LEU HDx% 1.0 . 4.88 110 65 A 29 LEU HDy% A 10 PRO HBx 1.0 . 4.88 111 66 A 11 CYS H A 10 PRO HDx 1.0 . 4.66 112 66 A 10 PRO HDy A 11 CYS H 1.0 . 4.66 113 67 A 10 PRO HDx A 29 LEU HDx% 1.0 . 4.86 114 67 A 10 PRO HDy A 29 LEU HDx% 1.0 . 4.86 115 67 A 29 LEU HDy% A 10 PRO HDx 1.0 . 4.86 116 67 A 10 PRO HDy A 29 LEU HDy% 1.0 . 4.86 117 68 A 37 GLN HE2y A 10 PRO HDx 1.0 . 4.87 118 68 A 10 PRO HDy A 37 GLN HE2y 1.0 . 4.87 119 69 A 37 GLN HE2x A 10 PRO HDx 1.0 . 4.83 120 69 A 10 PRO HDy A 37 GLN HE2x 1.0 . 4.83 121 70 A 11 CYS H A 10 PRO HGx 1.0 . 3.99 122 70 A 10 PRO HGy A 11 CYS H 1.0 . 3.99 123 71 A 10 PRO HGx A 29 LEU HBx 1.0 . 4.77 124 71 A 10 PRO HGy A 29 LEU HBx 1.0 . 4.77 125 71 A 29 LEU HBy A 10 PRO HGx 1.0 . 4.77 126 71 A 10 PRO HGy A 29 LEU HBy 1.0 . 4.77 127 72 A 10 PRO HGx A 29 LEU HDx% 1.0 . 4.41 128 72 A 10 PRO HGy A 29 LEU HDx% 1.0 . 4.41 129 72 A 29 LEU HDy% A 10 PRO HGx 1.0 . 4.41 130 72 A 10 PRO HGy A 29 LEU HDy% 1.0 . 4.41 131 73 A 31 THR HG2% A 10 PRO HGx 1.0 . 4.90 132 73 A 10 PRO HGy A 31 THR HG2% 1.0 . 4.90 133 74 A 37 GLN HE2x A 10 PRO HGx 1.0 . 5.50 134 74 A 10 PRO HGy A 37 GLN HE2x 1.0 . 5.50 135 75 A 11 CYS CB A 50 CYS SG 1.0 . 3.10 136 76 A 11 CYS H A 11 CYS HBy 1.0 . 4.03 137 77 A 11 CYS H A 11 CYS HBx 1.0 . 4.03 138 78 A 11 CYS H A 11 CYS HBx 1.0 . 3.42 139 78 A 11 CYS H A 11 CYS HBy 1.0 . 3.42 140 79 A 11 CYS H A 37 GLN HE2y 1.0 . 5.32 141 80 A 37 GLN HE2x A 11 CYS H 1.0 . 5.50 142 81 A 11 CYS HBy A 14 PHE HE% 1.0 . 4.75 143 82 A 14 PHE HE% A 11 CYS HBx 1.0 . 4.75 144 83 A 14 PHE HD% A 11 CYS HBx 1.0 . 3.54 145 83 A 11 CYS HBy A 14 PHE HD% 1.0 . 3.54 146 84 A 14 PHE HE% A 11 CYS HBx 1.0 . 4.05 147 84 A 11 CYS HBy A 14 PHE HE% 1.0 . 4.05 148 85 A 37 GLN HE2y A 11 CYS HBx 1.0 . 5.34 149 85 A 37 GLN HE2y A 11 CYS HBy 1.0 . 5.34 150 86 A 37 GLN HE2x A 11 CYS HBx 1.0 . 5.18 151 86 A 37 GLN HE2x A 11 CYS HBy 1.0 . 5.18 152 87 A 11 CYS SG A 50 CYS CB 1.0 . 3.10 153 88 A 50 CYS SG A 11 CYS SG 1.0 . 2.10 154 89 A 12 ARG HA A 12 ARG HDx 1.0 . 4.47 155 89 A 12 ARG HA A 12 ARG HDy 1.0 . 4.47 156 90 A 12 ARG HDy A 12 ARG HBy 1.0 . 3.82 157 90 A 12 ARG HBy A 12 ARG HDx 1.0 . 3.82 158 91 A 13 PHE H A 12 ARG HBy 1.0 . 4.64 159 92 A 12 ARG HDy A 12 ARG HBx 1.0 . 3.82 160 92 A 12 ARG HBx A 12 ARG HDx 1.0 . 3.82 161 93 A 13 PHE H A 12 ARG HBx 1.0 . 4.64 162 94 A 13 PHE H A 12 ARG HBy 1.0 . 4.08 163 94 A 13 PHE H A 12 ARG HBx 1.0 . 4.08 164 95 A 13 PHE H A 13 PHE HBy 1.0 . 4.03 165 96 A 13 PHE H A 13 PHE HBx 1.0 . 4.03 166 97 A 13 PHE H A 13 PHE HBx 1.0 . 3.30 167 97 A 13 PHE H A 13 PHE HBy 1.0 . 3.30 168 98 A 13 PHE H A 13 PHE HD% 1.0 . 4.33 169 99 A 13 PHE H A 13 PHE HE% 1.0 . 5.10 170 100 A 13 PHE HD% A 13 PHE HA 1.0 . 4.25 171 101 A 13 PHE HA A 14 PHE H 1.0 . 3.32 172 102 A 13 PHE HBy A 14 PHE H 1.0 . 4.34 173 103 A 14 PHE H A 13 PHE HBx 1.0 . 4.34 174 104 A 13 PHE HD% A 14 PHE H 1.0 . 5.50 175 105 A 14 PHE H A 14 PHE HBy 1.0 . 3.78 176 106 A 14 PHE HD% A 14 PHE H 1.0 . 4.52 177 107 A 14 PHE H A 15 GLU H 1.0 . 4.73 178 108 A 14 PHE HD% A 14 PHE HA 1.0 . 4.48 179 109 A 15 GLU H A 14 PHE HA 1.0 . 3.40 180 110 A 14 PHE HA A 50 CYS HBy 1.0 . 4.87 181 111 A 14 PHE HA A 50 CYS HBx 1.0 . 5.05 182 112 A 14 PHE HA A 51 ILE HG1y 1.0 . 5.50 183 113 A 15 GLU H A 14 PHE HBx 1.0 . 4.47 184 114 A 50 CYS HBy A 14 PHE HBx 1.0 . 4.66 185 115 A 14 PHE HBx A 52 ASP H 1.0 . 4.95 186 116 A 14 PHE HBx A 52 ASP HA 1.0 . 4.43 187 117 A 14 PHE HBx A 52 ASP HBx 1.0 . 4.85 188 118 A 14 PHE HBy A 15 GLU H 1.0 . 3.77 189 119 A 14 PHE HBy A 50 CYS HBy 1.0 . 4.79 190 120 A 14 PHE HBy A 52 ASP H 1.0 . 4.17 191 121 A 14 PHE HBy A 52 ASP HA 1.0 . 4.55 192 122 A 14 PHE HBy A 52 ASP HBx 1.0 . 4.72 193 123 A 14 PHE HD% A 15 GLU H 1.0 . 4.75 194 124 A 14 PHE HD% A 39 VAL HGx% 1.0 . 5.50 195 124 A 14 PHE HD% A 39 VAL HGy% 1.0 . 5.50 196 125 A 14 PHE HD% A 50 CYS HBy 1.0 . 4.18 197 126 A 14 PHE HD% A 50 CYS HBx 1.0 . 4.40 198 127 A 14 PHE HD% A 52 ASP H 1.0 . 5.00 199 128 A 14 PHE HD% A 52 ASP HA 1.0 . 4.52 200 129 A 14 PHE HD% A 52 ASP HBx 1.0 . 4.88 201 130 A 14 PHE HD% A 52 ASP HBy 1.0 . 5.50 202 131 A 14 PHE HD% A 53 PRO HDx 1.0 . 5.24 203 132 A 14 PHE HD% A 53 PRO HDy 1.0 . 5.50 204 133 A 14 PHE HD% A 53 PRO HGy 1.0 . 5.35 205 133 A 14 PHE HD% A 53 PRO HGx 1.0 . 5.35 206 134 A 14 PHE HE% A 50 CYS HBy 1.0 . 4.80 207 135 A 14 PHE HE% A 50 CYS HBx 1.0 . 4.57 208 136 A 14 PHE HE% A 52 ASP HA 1.0 . 5.12 209 137 A 14 PHE HE% A 52 ASP HBx 1.0 . 5.50 210 138 A 14 PHE HE% A 53 PRO HDx 1.0 . 5.50 211 139 A 14 PHE HE% A 53 PRO HDy 1.0 . 5.50 212 140 A 15 GLU H A 15 GLU HBy 1.0 . 3.73 213 141 A 15 GLU H A 15 GLU HBx 1.0 . 3.73 214 142 A 15 GLU H A 15 GLU HGy 1.0 . 4.17 215 143 A 15 GLU H A 15 GLU HGx 1.0 . 4.17 216 144 A 15 GLU H A 15 GLU HGx 1.0 . 3.66 217 144 A 15 GLU H A 15 GLU HGy 1.0 . 3.66 218 145 A 15 GLU H A 18 VAL HGx% 1.0 . 4.59 219 145 A 15 GLU H A 18 VAL HGy% 1.0 . 4.59 220 146 A 15 GLU H A 50 CYS HBy 1.0 . 4.71 221 147 A 15 GLU H A 50 CYS HBx 1.0 . 4.99 222 148 A 15 GLU H A 51 ILE H 1.0 . 4.32 223 149 A 15 GLU H A 51 ILE HA 1.0 . 4.72 224 150 A 15 GLU H A 51 ILE HD1% 1.0 . 5.50 225 151 A 15 GLU H A 51 ILE HG2% 1.0 . 4.59 226 152 A 15 GLU H A 52 ASP H 1.0 . 4.61 227 153 A 15 GLU HA A 16 SER H 1.0 . 2.91 228 154 A 15 GLU HA A 18 VAL HGx% 1.0 . 5.14 229 154 A 18 VAL HGy% A 15 GLU HA 1.0 . 5.14 230 155 A 15 GLU HA A 49 VAL HGy% 1.0 . 5.50 231 156 A 16 SER H A 15 GLU HBy 1.0 . 4.77 232 157 A 18 VAL HGy% A 15 GLU HBy 1.0 . 4.17 233 157 A 15 GLU HBy A 18 VAL HGx% 1.0 . 4.17 234 158 A 49 VAL HGy% A 15 GLU HBy 1.0 . 4.91 235 159 A 16 SER H A 15 GLU HBx 1.0 . 4.77 236 160 A 18 VAL HGy% A 15 GLU HBx 1.0 . 4.17 237 160 A 15 GLU HBx A 18 VAL HGx% 1.0 . 4.17 238 161 A 49 VAL HGy% A 15 GLU HBx 1.0 . 4.91 239 162 A 15 GLU HGy A 16 SER H 1.0 . 4.85 240 163 A 15 GLU HGy A 18 VAL HGy% 1.0 . 3.94 241 163 A 15 GLU HGy A 18 VAL HGx% 1.0 . 3.94 242 164 A 16 SER H A 15 GLU HGx 1.0 . 4.85 243 165 A 18 VAL HGy% A 15 GLU HGx 1.0 . 3.94 244 165 A 15 GLU HGx A 18 VAL HGx% 1.0 . 3.94 245 166 A 16 SER H A 15 GLU HBy 1.0 . 4.02 246 166 A 16 SER H A 15 GLU HBx 1.0 . 4.02 247 167 A 15 GLU HBx A 18 VAL HGx% 1.0 . 3.55 248 167 A 15 GLU HBy A 18 VAL HGx% 1.0 . 3.55 249 167 A 18 VAL HGy% A 15 GLU HBy 1.0 . 3.55 250 167 A 18 VAL HGy% A 15 GLU HBx 1.0 . 3.55 251 168 A 40 ALA HB% A 15 GLU HBy 1.0 . 5.34 252 168 A 15 GLU HBx A 40 ALA HB% 1.0 . 5.34 253 169 A 51 ILE HG1x A 15 GLU HBy 1.0 . 5.34 254 169 A 15 GLU HBx A 51 ILE HG1x 1.0 . 5.34 255 170 A 51 ILE HG2% A 15 GLU HBy 1.0 . 5.00 256 170 A 51 ILE HG2% A 15 GLU HBx 1.0 . 5.00 257 171 A 16 SER H A 15 GLU HGx 1.0 . 4.01 258 171 A 15 GLU HGy A 16 SER H 1.0 . 4.01 259 172 A 49 VAL HGy% A 15 GLU HGx 1.0 . 5.31 260 172 A 15 GLU HGy A 49 VAL HGy% 1.0 . 5.31 261 173 A 16 SER H A 16 SER HBy 1.0 . 4.10 262 174 A 16 SER H A 16 SER HBx 1.0 . 4.10 263 175 A 16 SER H A 16 SER HBx 1.0 . 3.37 264 175 A 16 SER H A 16 SER HBy 1.0 . 3.37 265 176 A 52 ASP HBx A 16 SER HA 1.0 . 4.68 266 177 A 52 ASP HBy A 16 SER HA 1.0 . 4.69 267 178 A 16 SER HA A 55 LEU HDx% 1.0 . 4.47 268 179 A 16 SER HA A 55 LEU HDy% 1.0 . 4.54 269 180 A 16 SER HBy A 17 HIS H 1.0 . 5.07 270 181 A 16 SER HBy A 55 LEU HDy% 1.0 . 4.95 271 182 A 17 HIS H A 16 SER HBx 1.0 . 5.07 272 183 A 55 LEU HDy% A 16 SER HBx 1.0 . 4.95 273 184 A 17 HIS H A 16 SER HBx 1.0 . 4.29 274 184 A 16 SER HBy A 17 HIS H 1.0 . 4.29 275 185 A 52 ASP HBx A 16 SER HBx 1.0 . 5.34 276 185 A 52 ASP HBx A 16 SER HBy 1.0 . 5.34 277 186 A 52 ASP HBy A 16 SER HBx 1.0 . 5.34 278 186 A 52 ASP HBy A 16 SER HBy 1.0 . 5.34 279 187 A 55 LEU HDx% A 16 SER HBx 1.0 . 5.34 280 187 A 16 SER HBy A 55 LEU HDx% 1.0 . 5.34 281 188 A 55 LEU HDy% A 16 SER HBx 1.0 . 4.31 282 188 A 16 SER HBy A 55 LEU HDy% 1.0 . 4.31 283 189 A 17 HIS H A 18 VAL H 1.0 . 3.93 284 190 A 17 HIS HA A 17 HIS HD2 1.0 . 4.81 285 191 A 17 HIS HA A 17 HIS HE1 1.0 . 5.50 286 192 A 18 VAL H A 17 HIS HA 1.0 . 3.42 287 193 A 18 VAL H A 17 HIS HBy 1.0 . 4.45 288 193 A 18 VAL H A 17 HIS HBx 1.0 . 4.45 289 194 A 18 VAL H A 18 VAL HB 1.0 . 3.84 290 195 A 18 VAL H A 18 VAL HGx% 1.0 . 3.45 291 195 A 18 VAL HGy% A 18 VAL H 1.0 . 3.45 292 196 A 18 VAL H A 19 ALA H 1.0 . 4.92 293 197 A 51 ILE HG2% A 18 VAL H 1.0 . 4.91 294 198 A 18 VAL HA A 18 VAL HGx% 1.0 . 3.48 295 198 A 18 VAL HGy% A 18 VAL HA 1.0 . 3.48 296 199 A 19 ALA H A 18 VAL HA 1.0 . 3.06 297 200 A 51 ILE HD1% A 18 VAL HA 1.0 . 5.50 298 201 A 55 LEU HDx% A 18 VAL HA 1.0 . 5.39 299 202 A 55 LEU HDy% A 18 VAL HA 1.0 . 5.50 300 203 A 18 VAL HB A 19 ALA H 1.0 . 4.79 301 204 A 51 ILE HG1y A 18 VAL HB 1.0 . 5.11 302 205 A 51 ILE HD1% A 18 VAL HB 1.0 . 4.51 303 206 A 51 ILE HG2% A 18 VAL HB 1.0 . 4.37 304 207 A 55 LEU HDx% A 18 VAL HB 1.0 . 4.47 305 208 A 18 VAL HB A 57 TRP HD1 1.0 . 4.94 306 209 A 18 VAL HB A 57 TRP HE1 1.0 . 5.35 307 210 A 18 VAL HB A 57 TRP HH2 1.0 . 5.50 308 211 A 18 VAL HB A 57 TRP HZ2 1.0 . 5.16 309 212 A 19 ALA H A 18 VAL HGx% 1.0 . 3.51 310 212 A 18 VAL HGy% A 19 ALA H 1.0 . 3.51 311 213 A 22 ASN HD2y A 18 VAL HGx% 1.0 . 4.45 312 213 A 18 VAL HGy% A 22 ASN HD2y 1.0 . 4.45 313 214 A 22 ASN HD2x A 18 VAL HGx% 1.0 . 4.95 314 214 A 18 VAL HGy% A 22 ASN HD2x 1.0 . 4.95 315 215 A 51 ILE HB A 18 VAL HGx% 1.0 . 4.93 316 215 A 18 VAL HGy% A 51 ILE HB 1.0 . 4.93 317 216 A 51 ILE HG2% A 18 VAL HGx% 1.0 . 3.71 318 216 A 18 VAL HGy% A 51 ILE HG2% 1.0 . 3.71 319 217 A 52 ASP H A 18 VAL HGx% 1.0 . 5.04 320 217 A 52 ASP H A 18 VAL HGy% 1.0 . 5.04 321 218 A 57 TRP HH2 A 18 VAL HGx% 1.0 . 5.41 322 218 A 18 VAL HGy% A 57 TRP HH2 1.0 . 5.41 323 219 A 57 TRP HZ2 A 18 VAL HGx% 1.0 . 3.55 324 219 A 18 VAL HGy% A 57 TRP HZ2 1.0 . 3.55 325 220 A 19 ALA H A 19 ALA HB% 1.0 . 3.15 326 221 A 19 ALA H A 20 ARG H 1.0 . 5.27 327 222 A 19 ALA H A 22 ASN H 1.0 . 4.12 328 223 A 19 ALA H A 22 ASN HBy 1.0 . 4.74 329 224 A 19 ALA H A 22 ASN HBx 1.0 . 4.74 330 225 A 19 ALA H A 22 ASN HD2y 1.0 . 4.94 331 226 A 19 ALA H A 22 ASN HD2x 1.0 . 5.50 332 227 A 19 ALA H A 22 ASN HBx 1.0 . 4.08 333 227 A 19 ALA H A 22 ASN HBy 1.0 . 4.08 334 228 A 20 ARG H A 19 ALA HA 1.0 . 3.46 335 229 A 19 ALA HA A 20 ARG HBx 1.0 . 5.50 336 230 A 19 ALA HA A 20 ARG HBy 1.0 . 5.50 337 231 A 19 ALA HA A 21 ALA H 1.0 . 4.41 338 232 A 22 ASN H A 19 ALA HA 1.0 . 5.14 339 233 A 57 TRP HD1 A 19 ALA HA 1.0 . 5.42 340 234 A 57 TRP HE1 A 19 ALA HA 1.0 . 4.12 341 235 A 57 TRP HZ2 A 19 ALA HA 1.0 . 5.50 342 236 A 19 ALA HB% A 20 ARG H 1.0 . 3.52 343 237 A 19 ALA HB% A 21 ALA H 1.0 . 4.81 344 238 A 19 ALA HB% A 22 ASN H 1.0 . 3.28 345 239 A 19 ALA HB% A 22 ASN HBy 1.0 . 5.29 346 240 A 19 ALA HB% A 22 ASN HBx 1.0 . 5.29 347 241 A 22 ASN HD2y A 19 ALA HB% 1.0 . 3.99 348 242 A 22 ASN HD2x A 19 ALA HB% 1.0 . 5.50 349 243 A 19 ALA HB% A 22 ASN HBx 1.0 . 4.49 350 243 A 19 ALA HB% A 22 ASN HBy 1.0 . 4.49 351 244 A 20 ARG H A 20 ARG HBx 1.0 . 3.44 352 245 A 20 ARG H A 20 ARG HBy 1.0 . 3.71 353 246 A 20 ARG H A 20 ARG HDx 1.0 . 4.66 354 246 A 20 ARG H A 20 ARG HDy 1.0 . 4.66 355 247 A 20 ARG H A 20 ARG HGy 1.0 . 4.05 356 247 A 20 ARG H A 20 ARG HGx 1.0 . 4.05 357 248 A 20 ARG H A 21 ALA H 1.0 . 3.72 358 249 A 20 ARG H A 23 VAL HGx% 1.0 . 4.37 359 249 A 20 ARG H A 23 VAL HGy% 1.0 . 4.37 360 250 A 57 TRP HZ2 A 20 ARG H 1.0 . 5.50 361 251 A 20 ARG HA A 20 ARG HDx 1.0 . 4.24 362 251 A 20 ARG HDy A 20 ARG HA 1.0 . 4.24 363 252 A 20 ARG HA A 23 VAL H 1.0 . 4.74 364 253 A 20 ARG HA A 23 VAL HB 1.0 . 4.88 365 254 A 20 ARG HA A 23 VAL HGx% 1.0 . 3.86 366 254 A 23 VAL HGy% A 20 ARG HA 1.0 . 3.86 367 255 A 57 TRP HH2 A 20 ARG HA 1.0 . 4.91 368 256 A 57 TRP HZ2 A 20 ARG HA 1.0 . 4.71 369 257 A 20 ARG HBx A 20 ARG HDx 1.0 . 4.01 370 257 A 20 ARG HBx A 20 ARG HDy 1.0 . 4.01 371 258 A 20 ARG HBx A 21 ALA H 1.0 . 4.06 372 259 A 20 ARG HBx A 57 TRP HBy 1.0 . 5.50 373 260 A 20 ARG HBx A 57 TRP HBx 1.0 . 5.50 374 261 A 57 TRP HE1 A 20 ARG HBx 1.0 . 5.50 375 262 A 57 TRP HH2 A 20 ARG HBx 1.0 . 5.50 376 263 A 20 ARG HBx A 57 TRP HZ3 1.0 . 5.50 377 264 A 20 ARG HBy A 20 ARG HDx 1.0 . 3.80 378 264 A 20 ARG HBy A 20 ARG HDy 1.0 . 3.80 379 265 A 20 ARG HBy A 21 ALA H 1.0 . 3.78 380 266 A 20 ARG HBy A 21 ALA HA 1.0 . 5.50 381 267 A 20 ARG HBy A 57 TRP HBy 1.0 . 5.50 382 268 A 20 ARG HBy A 57 TRP HBx 1.0 . 5.50 383 269 A 20 ARG HBy A 57 TRP HZ3 1.0 . 5.50 384 270 A 21 ALA H A 20 ARG HDx 1.0 . 5.47 385 270 A 21 ALA H A 20 ARG HDy 1.0 . 5.47 386 271 A 20 ARG HDx A 23 VAL HGx% 1.0 . 4.84 387 271 A 23 VAL HGy% A 20 ARG HDx 1.0 . 4.84 388 271 A 20 ARG HDy A 23 VAL HGy% 1.0 . 4.84 389 271 A 20 ARG HDy A 23 VAL HGx% 1.0 . 4.84 390 272 A 20 ARG HDy A 26 LEU HDx% 1.0 . 5.50 391 272 A 20 ARG HDx A 26 LEU HDx% 1.0 . 5.50 392 273 A 26 LEU HDy% A 20 ARG HDx 1.0 . 5.50 393 273 A 20 ARG HDy A 26 LEU HDy% 1.0 . 5.50 394 274 A 57 TRP HBy A 20 ARG HDx 1.0 . 5.25 395 274 A 20 ARG HDy A 57 TRP HBy 1.0 . 5.25 396 275 A 57 TRP HBx A 20 ARG HDx 1.0 . 5.50 397 275 A 20 ARG HDy A 57 TRP HBx 1.0 . 5.50 398 276 A 57 TRP HE3 A 20 ARG HDx 1.0 . 4.60 399 276 A 20 ARG HDy A 57 TRP HE3 1.0 . 4.60 400 277 A 57 TRP HH2 A 20 ARG HDx 1.0 . 4.51 401 277 A 57 TRP HH2 A 20 ARG HDy 1.0 . 4.51 402 278 A 57 TRP HZ3 A 20 ARG HDx 1.0 . 4.72 403 278 A 20 ARG HDy A 57 TRP HZ3 1.0 . 4.72 404 279 A 57 TRP HE3 A 20 ARG HGy 1.0 . 4.67 405 279 A 20 ARG HGx A 57 TRP HE3 1.0 . 4.67 406 280 A 21 ALA H A 21 ALA HB% 1.0 . 3.23 407 281 A 22 ASN H A 21 ALA H 1.0 . 3.12 408 282 A 21 ALA H A 23 VAL H 1.0 . 4.83 409 283 A 23 VAL H A 21 ALA HA 1.0 . 4.60 410 284 A 22 ASN H A 21 ALA HB% 1.0 . 3.98 411 285 A 23 VAL H A 21 ALA HB% 1.0 . 4.62 412 286 A 22 ASN H A 22 ASN HBy 1.0 . 3.84 413 287 A 22 ASN H A 22 ASN HBx 1.0 . 3.84 414 288 A 22 ASN H A 22 ASN HBx 1.0 . 3.13 415 288 A 22 ASN H A 22 ASN HBy 1.0 . 3.13 416 289 A 22 ASN H A 23 VAL H 1.0 . 3.30 417 290 A 22 ASN H A 43 LYS HDx 1.0 . 5.10 418 290 A 22 ASN H A 43 LYS HDy 1.0 . 5.10 419 291 A 22 ASN HD2y A 22 ASN HA 1.0 . 4.22 420 292 A 22 ASN HD2x A 22 ASN HA 1.0 . 4.86 421 293 A 22 ASN HA A 43 LYS HBy 1.0 . 4.63 422 294 A 22 ASN HA A 43 LYS HBx 1.0 . 4.45 423 295 A 22 ASN HA A 43 LYS HGy 1.0 . 5.47 424 296 A 22 ASN HA A 43 LYS HGx 1.0 . 5.47 425 297 A 22 ASN HA A 43 LYS HDx 1.0 . 4.18 426 297 A 43 LYS HDy A 22 ASN HA 1.0 . 4.18 427 298 A 22 ASN HA A 43 LYS HGy 1.0 . 4.80 428 298 A 22 ASN HA A 43 LYS HGx 1.0 . 4.80 429 299 A 22 ASN HBy A 23 VAL H 1.0 . 4.77 430 300 A 23 VAL H A 22 ASN HBx 1.0 . 4.77 431 301 A 22 ASN HD2y A 42 LEU HBx 1.0 . 4.70 432 302 A 22 ASN HD2y A 42 LEU HBy 1.0 . 5.50 433 303 A 22 ASN HD2y A 42 LEU HG 1.0 . 4.67 434 304 A 22 ASN HD2y A 42 LEU HDx% 1.0 . 4.49 435 305 A 22 ASN HD2y A 42 LEU HDy% 1.0 . 4.34 436 306 A 22 ASN HD2y A 43 LYS H 1.0 . 5.28 437 307 A 22 ASN HD2x A 42 LEU HBx 1.0 . 4.47 438 308 A 22 ASN HD2x A 42 LEU HBy 1.0 . 5.40 439 309 A 22 ASN HD2x A 42 LEU HG 1.0 . 4.85 440 310 A 22 ASN HD2x A 42 LEU HDx% 1.0 . 4.60 441 311 A 22 ASN HD2x A 42 LEU HDy% 1.0 . 4.73 442 312 A 23 VAL H A 22 ASN HBx 1.0 . 4.18 443 312 A 22 ASN HBy A 23 VAL H 1.0 . 4.18 444 313 A 42 LEU HDx% A 22 ASN HBx 1.0 . 4.93 445 313 A 22 ASN HBy A 42 LEU HDx% 1.0 . 4.93 446 314 A 42 LEU HDy% A 22 ASN HBx 1.0 . 4.04 447 314 A 22 ASN HBy A 42 LEU HDy% 1.0 . 4.04 448 315 A 23 VAL H A 23 VAL HB 1.0 . 3.39 449 316 A 23 VAL H A 23 VAL HGx% 1.0 . 3.44 450 316 A 23 VAL HGy% A 23 VAL H 1.0 . 3.44 451 317 A 23 VAL H A 42 LEU HDy% 1.0 . 5.31 452 318 A 23 VAL H A 43 LYS H 1.0 . 5.14 453 319 A 23 VAL H A 43 LYS HDx 1.0 . 5.04 454 319 A 23 VAL H A 43 LYS HDy 1.0 . 5.04 455 320 A 57 TRP HH2 A 23 VAL H 1.0 . 5.47 456 321 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.82 457 321 A 23 VAL HGy% A 23 VAL HA 1.0 . 3.82 458 322 A 23 VAL HA A 24 LYS H 1.0 . 3.41 459 323 A 23 VAL HA A 40 ALA HA 1.0 . 5.50 460 324 A 40 ALA HB% A 23 VAL HA 1.0 . 5.15 461 325 A 23 VAL HA A 41 ARG HA 1.0 . 5.50 462 326 A 23 VAL HA A 42 LEU HA 1.0 . 4.51 463 327 A 42 LEU HDy% A 23 VAL HA 1.0 . 4.01 464 328 A 43 LYS H A 23 VAL HA 1.0 . 4.03 465 329 A 23 VAL HA A 43 LYS HDx 1.0 . 5.50 466 329 A 43 LYS HDy A 23 VAL HA 1.0 . 5.50 467 330 A 23 VAL HA A 43 LYS HGy 1.0 . 5.34 468 330 A 43 LYS HGx A 23 VAL HA 1.0 . 5.34 469 331 A 51 ILE HD1% A 23 VAL HA 1.0 . 5.50 470 332 A 23 VAL HB A 24 LYS H 1.0 . 4.35 471 333 A 40 ALA HB% A 23 VAL HB 1.0 . 4.15 472 334 A 23 VAL HB A 42 LEU HA 1.0 . 5.50 473 335 A 57 TRP HH2 A 23 VAL HB 1.0 . 5.26 474 336 A 24 LYS H A 23 VAL HGx% 1.0 . 3.79 475 336 A 23 VAL HGy% A 24 LYS H 1.0 . 3.79 476 337 A 40 ALA HA A 23 VAL HGx% 1.0 . 5.45 477 337 A 23 VAL HGy% A 40 ALA HA 1.0 . 5.45 478 338 A 40 ALA HB% A 23 VAL HGx% 1.0 . 3.36 479 338 A 40 ALA HB% A 23 VAL HGy% 1.0 . 3.36 480 339 A 41 ARG HA A 23 VAL HGx% 1.0 . 5.40 481 339 A 23 VAL HGy% A 41 ARG HA 1.0 . 5.40 482 340 A 42 LEU HA A 23 VAL HGx% 1.0 . 4.72 483 340 A 23 VAL HGy% A 42 LEU HA 1.0 . 4.72 484 341 A 57 TRP HH2 A 23 VAL HGx% 1.0 . 3.82 485 341 A 57 TRP HH2 A 23 VAL HGy% 1.0 . 3.82 486 342 A 57 TRP HZ2 A 23 VAL HGx% 1.0 . 4.20 487 342 A 57 TRP HZ2 A 23 VAL HGy% 1.0 . 4.20 488 343 A 57 TRP HZ3 A 23 VAL HGx% 1.0 . 4.96 489 343 A 23 VAL HGy% A 57 TRP HZ3 1.0 . 4.96 490 344 A 61 TYR HE% A 23 VAL HGx% 1.0 . 5.50 491 344 A 23 VAL HGy% A 61 TYR HE% 1.0 . 5.50 492 345 A 24 LYS H A 24 LYS HBx 1.0 . 3.66 493 345 A 24 LYS H A 24 LYS HBy 1.0 . 3.66 494 346 A 24 LYS H A 24 LYS HDx 1.0 . 5.50 495 346 A 24 LYS H A 24 LYS HDy 1.0 . 5.50 496 347 A 24 LYS H A 24 LYS HGx 1.0 . 4.24 497 347 A 24 LYS H A 24 LYS HGy 1.0 . 4.24 498 348 A 24 LYS H A 25 HIS H 1.0 . 3.89 499 349 A 24 LYS H A 41 ARG H 1.0 . 4.62 500 350 A 24 LYS H A 41 ARG HBy 1.0 . 5.50 501 351 A 24 LYS H A 41 ARG HBx 1.0 . 5.50 502 352 A 24 LYS H A 42 LEU HA 1.0 . 4.32 503 353 A 42 LEU HDy% A 24 LYS H 1.0 . 4.66 504 354 A 43 LYS H A 24 LYS H 1.0 . 4.48 505 355 A 24 LYS HA A 24 LYS HEy 1.0 . 4.95 506 356 A 24 LYS HA A 24 LYS HEx 1.0 . 4.95 507 357 A 24 LYS HA A 24 LYS HDx 1.0 . 5.13 508 357 A 24 LYS HDy A 24 LYS HA 1.0 . 5.13 509 358 A 24 LYS HA A 24 LYS HGx 1.0 . 4.25 510 358 A 24 LYS HGy A 24 LYS HA 1.0 . 4.25 511 359 A 24 LYS HA A 43 LYS HA 1.0 . 5.50 512 360 A 43 LYS HBy A 24 LYS HA 1.0 . 5.48 513 361 A 43 LYS HBx A 24 LYS HA 1.0 . 5.40 514 362 A 24 LYS HA A 43 LYS HGy 1.0 . 5.20 515 363 A 43 LYS HGx A 24 LYS HA 1.0 . 5.20 516 364 A 24 LYS HA A 43 LYS HDx 1.0 . 5.35 517 364 A 43 LYS HDy A 24 LYS HA 1.0 . 5.35 518 365 A 24 LYS HBy A 43 LYS HA 1.0 . 5.03 519 366 A 43 LYS HA A 24 LYS HBx 1.0 . 5.03 520 367 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.76 521 367 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.76 522 367 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.76 523 367 A 24 LYS HBy A 24 LYS HEy 1.0 . 4.76 524 368 A 25 HIS H A 24 LYS HBx 1.0 . 3.81 525 368 A 24 LYS HBy A 25 HIS H 1.0 . 3.81 526 369 A 25 HIS HD2 A 24 LYS HBx 1.0 . 5.34 527 369 A 24 LYS HBy A 25 HIS HD2 1.0 . 5.34 528 370 A 43 LYS H A 24 LYS HBx 1.0 . 5.34 529 370 A 43 LYS H A 24 LYS HBy 1.0 . 5.34 530 371 A 43 LYS HA A 24 LYS HBx 1.0 . 4.36 531 371 A 24 LYS HBy A 43 LYS HA 1.0 . 4.36 532 372 A 25 HIS HD2 A 24 LYS HDx 1.0 . 5.50 533 372 A 24 LYS HDy A 25 HIS HD2 1.0 . 5.50 534 373 A 43 LYS HA A 24 LYS HDx 1.0 . 4.49 535 373 A 24 LYS HDy A 43 LYS HA 1.0 . 4.49 536 374 A 24 LYS HEy A 43 LYS HGy 1.0 . 4.66 537 374 A 24 LYS HEx A 43 LYS HGy 1.0 . 4.66 538 374 A 43 LYS HGx A 24 LYS HEx 1.0 . 4.66 539 374 A 43 LYS HGx A 24 LYS HEy 1.0 . 4.66 540 375 A 24 LYS HGy A 24 LYS HEy 1.0 . 3.85 541 375 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.85 542 376 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.85 543 376 A 24 LYS HEx A 24 LYS HGx 1.0 . 3.85 544 377 A 25 HIS H A 24 LYS HGx 1.0 . 5.32 545 377 A 24 LYS HGy A 25 HIS H 1.0 . 5.32 546 378 A 25 HIS HD2 A 24 LYS HGx 1.0 . 5.50 547 378 A 24 LYS HGy A 25 HIS HD2 1.0 . 5.50 548 379 A 24 LYS HGy A 41 ARG HDx 1.0 . 5.33 549 379 A 24 LYS HGx A 41 ARG HDx 1.0 . 5.33 550 379 A 41 ARG HDy A 24 LYS HGx 1.0 . 5.33 551 379 A 24 LYS HGy A 41 ARG HDy 1.0 . 5.33 552 380 A 43 LYS HA A 24 LYS HGx 1.0 . 3.89 553 380 A 24 LYS HGy A 43 LYS HA 1.0 . 3.89 554 381 A 40 ALA HA A 25 HIS H 1.0 . 5.50 555 382 A 40 ALA HB% A 25 HIS H 1.0 . 5.50 556 383 A 25 HIS H A 41 ARG H 1.0 . 4.22 557 384 A 25 HIS H A 41 ARG HBy 1.0 . 5.50 558 385 A 25 HIS H A 41 ARG HBx 1.0 . 5.50 559 386 A 25 HIS HD2 A 25 HIS HA 1.0 . 4.91 560 387 A 25 HIS HD2 A 25 HIS HBx 1.0 . 3.96 561 388 A 41 ARG H A 25 HIS HBx 1.0 . 5.50 562 389 A 41 ARG HBy A 25 HIS HBx 1.0 . 5.50 563 390 A 41 ARG HBx A 25 HIS HBx 1.0 . 5.50 564 391 A 25 HIS HD2 A 25 HIS HBy 1.0 . 3.96 565 392 A 41 ARG H A 25 HIS HBy 1.0 . 5.50 566 393 A 41 ARG HBy A 25 HIS HBy 1.0 . 5.50 567 394 A 41 ARG HBx A 25 HIS HBy 1.0 . 5.50 568 395 A 25 HIS HD2 A 27 LYS HBx 1.0 . 5.50 569 396 A 25 HIS HD2 A 27 LYS HBy 1.0 . 5.50 570 397 A 25 HIS HD2 A 27 LYS HEx 1.0 . 4.95 571 397 A 25 HIS HD2 A 27 LYS HEy 1.0 . 4.95 572 398 A 27 LYS HBx A 25 HIS HE1 1.0 . 5.50 573 399 A 27 LYS HBy A 25 HIS HE1 1.0 . 5.50 574 400 A 41 ARG HBy A 25 HIS HE1 1.0 . 4.54 575 401 A 26 LEU H A 26 LEU HG 1.0 . 5.50 576 402 A 26 LEU HA A 26 LEU HDx% 1.0 . 5.50 577 403 A 26 LEU HA A 26 LEU HDy% 1.0 . 5.50 578 404 A 40 ALA HA A 26 LEU HA 1.0 . 4.78 579 405 A 40 ALA HB% A 26 LEU HA 1.0 . 4.38 580 406 A 41 ARG H A 26 LEU HA 1.0 . 4.91 581 407 A 26 LEU HBy A 27 LYS H 1.0 . 5.50 582 408 A 27 LYS H A 26 LEU HBx 1.0 . 5.35 583 409 A 26 LEU HG A 27 LYS H 1.0 . 5.50 584 410 A 27 LYS H A 26 LEU HDx% 1.0 . 5.50 585 411 A 40 ALA HB% A 26 LEU HDx% 1.0 . 4.45 586 412 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 5.23 587 413 A 61 TYR HE% A 26 LEU HDx% 1.0 . 5.50 588 414 A 27 LYS H A 26 LEU HDy% 1.0 . 5.50 589 415 A 40 ALA HB% A 26 LEU HDy% 1.0 . 4.45 590 416 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 5.23 591 417 A 61 TYR HE% A 26 LEU HDy% 1.0 . 5.50 592 418 A 27 LYS H A 26 LEU HDx% 1.0 . 4.83 593 418 A 27 LYS H A 26 LEU HDy% 1.0 . 4.83 594 419 A 40 ALA HA A 26 LEU HDx% 1.0 . 5.12 595 419 A 40 ALA HA A 26 LEU HDy% 1.0 . 5.12 596 420 A 40 ALA HB% A 26 LEU HDx% 1.0 . 3.18 597 420 A 40 ALA HB% A 26 LEU HDy% 1.0 . 3.18 598 421 A 57 TRP HH2 A 26 LEU HDx% 1.0 . 4.59 599 421 A 57 TRP HH2 A 26 LEU HDy% 1.0 . 4.59 600 422 A 57 TRP HZ3 A 26 LEU HDx% 1.0 . 5.40 601 422 A 57 TRP HZ3 A 26 LEU HDy% 1.0 . 5.40 602 423 A 58 ILE HA A 26 LEU HDx% 1.0 . 5.44 603 423 A 26 LEU HDy% A 58 ILE HA 1.0 . 5.44 604 424 A 61 TYR HD% A 26 LEU HDx% 1.0 . 5.44 605 424 A 26 LEU HDy% A 61 TYR HD% 1.0 . 5.44 606 425 A 61 TYR HE% A 26 LEU HDx% 1.0 . 4.85 607 425 A 61 TYR HE% A 26 LEU HDy% 1.0 . 4.85 608 426 A 27 LYS H A 27 LYS HDx 1.0 . 5.10 609 426 A 27 LYS H A 27 LYS HDy 1.0 . 5.10 610 427 A 27 LYS H A 27 LYS HGx 1.0 . 4.37 611 427 A 27 LYS H A 27 LYS HGy 1.0 . 4.37 612 428 A 27 LYS H A 38 ILE HG2% 1.0 . 4.76 613 429 A 27 LYS H A 39 VAL H 1.0 . 4.04 614 430 A 27 LYS H A 39 VAL HB 1.0 . 5.24 615 431 A 27 LYS H A 39 VAL HGx% 1.0 . 4.86 616 431 A 39 VAL HGy% A 27 LYS H 1.0 . 4.86 617 432 A 40 ALA HA A 27 LYS H 1.0 . 5.05 618 433 A 27 LYS HA A 27 LYS HDx 1.0 . 5.33 619 433 A 27 LYS HDy A 27 LYS HA 1.0 . 5.33 620 434 A 27 LYS HA A 27 LYS HEx 1.0 . 5.50 621 434 A 27 LYS HEy A 27 LYS HA 1.0 . 5.50 622 435 A 39 VAL HB A 27 LYS HA 1.0 . 5.50 623 436 A 27 LYS HBx A 27 LYS HEx 1.0 . 3.53 624 436 A 27 LYS HBx A 27 LYS HEy 1.0 . 3.53 625 437 A 27 LYS HBx A 28 ILE H 1.0 . 4.93 626 438 A 27 LYS HBx A 39 VAL H 1.0 . 5.50 627 439 A 27 LYS HBx A 39 VAL HB 1.0 . 4.23 628 440 A 27 LYS HBx A 39 VAL HGx% 1.0 . 4.19 629 440 A 39 VAL HGy% A 27 LYS HBx 1.0 . 4.19 630 441 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.24 631 441 A 27 LYS HBy A 27 LYS HEy 1.0 . 4.24 632 442 A 27 LYS HBy A 28 ILE H 1.0 . 4.88 633 443 A 27 LYS HBy A 39 VAL H 1.0 . 5.50 634 444 A 27 LYS HBy A 39 VAL HB 1.0 . 3.85 635 445 A 27 LYS HBy A 39 VAL HGx% 1.0 . 4.24 636 445 A 39 VAL HGy% A 27 LYS HBy 1.0 . 4.24 637 446 A 27 LYS HDy A 27 LYS HGx 1.0 . 2.84 638 446 A 27 LYS HDx A 27 LYS HGx 1.0 . 2.84 639 446 A 27 LYS HGy A 27 LYS HDx 1.0 . 2.84 640 446 A 27 LYS HDy A 27 LYS HGy 1.0 . 2.84 641 447 A 27 LYS HEy A 27 LYS HGx 1.0 . 3.64 642 447 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.64 643 447 A 27 LYS HGy A 27 LYS HEx 1.0 . 3.64 644 447 A 27 LYS HEy A 27 LYS HGy 1.0 . 3.64 645 448 A 28 ILE H A 27 LYS HGx 1.0 . 4.71 646 448 A 27 LYS HGy A 28 ILE H 1.0 . 4.71 647 449 A 39 VAL HB A 27 LYS HGx 1.0 . 4.42 648 449 A 27 LYS HGy A 39 VAL HB 1.0 . 4.42 649 450 A 28 ILE H A 28 ILE HB 1.0 . 3.84 650 451 A 28 ILE H A 28 ILE HG1y 1.0 . 4.93 651 452 A 28 ILE H A 28 ILE HG1x 1.0 . 4.93 652 453 A 28 ILE H A 28 ILE HD1% 1.0 . 4.32 653 454 A 28 ILE H A 28 ILE HG2% 1.0 . 4.47 654 455 A 28 ILE HD1% A 28 ILE HA 1.0 . 4.91 655 456 A 28 ILE HG2% A 28 ILE HA 1.0 . 4.15 656 457 A 28 ILE HA A 38 ILE HA 1.0 . 5.07 657 458 A 28 ILE HA A 38 ILE HB 1.0 . 5.36 658 459 A 28 ILE HA A 38 ILE HG1y 1.0 . 5.33 659 460 A 28 ILE HA A 38 ILE HG1x 1.0 . 5.50 660 461 A 28 ILE HA A 38 ILE HD1% 1.0 . 5.39 661 462 A 38 ILE HG2% A 28 ILE HA 1.0 . 4.67 662 463 A 39 VAL H A 28 ILE HA 1.0 . 4.31 663 464 A 28 ILE HB A 28 ILE HD1% 1.0 . 3.95 664 465 A 28 ILE HB A 38 ILE HA 1.0 . 5.26 665 466 A 39 VAL H A 28 ILE HB 1.0 . 5.50 666 467 A 28 ILE HG1y A 38 ILE HA 1.0 . 5.50 667 468 A 28 ILE HG1y A 38 ILE HB 1.0 . 4.46 668 469 A 28 ILE HG1y A 38 ILE HG1y 1.0 . 3.21 669 470 A 28 ILE HG1y A 38 ILE HD1% 1.0 . 4.40 670 471 A 38 ILE HG2% A 28 ILE HG1y 1.0 . 4.25 671 472 A 39 VAL H A 28 ILE HG1y 1.0 . 5.50 672 473 A 28 ILE HG1x A 38 ILE HA 1.0 . 5.13 673 474 A 28 ILE HG1x A 38 ILE HG1y 1.0 . 4.38 674 475 A 38 ILE HG2% A 28 ILE HG1x 1.0 . 4.19 675 476 A 39 VAL H A 28 ILE HG1x 1.0 . 5.50 676 477 A 61 TYR HE% A 28 ILE HG1x 1.0 . 5.50 677 478 A 28 ILE HD1% A 38 ILE HA 1.0 . 4.82 678 479 A 28 ILE HD1% A 38 ILE HG1y 1.0 . 4.39 679 480 A 28 ILE HD1% A 38 ILE HD1% 1.0 . 2.69 680 481 A 38 ILE HG2% A 28 ILE HD1% 1.0 . 3.04 681 482 A 39 VAL H A 28 ILE HD1% 1.0 . 5.50 682 483 A 28 ILE HD1% A 53 PRO HA 1.0 . 5.50 683 484 A 28 ILE HD1% A 58 ILE HD1% 1.0 . 4.37 684 485 A 61 TYR HD% A 28 ILE HD1% 1.0 . 5.50 685 486 A 61 TYR HE% A 28 ILE HD1% 1.0 . 5.38 686 487 A 28 ILE HG1y A 28 ILE HG2% 1.0 . 3.46 687 488 A 28 ILE HG1x A 28 ILE HG2% 1.0 . 3.61 688 489 A 28 ILE HG2% A 30 ASN HBy 1.0 . 5.50 689 490 A 28 ILE HG2% A 30 ASN HBx 1.0 . 5.33 690 491 A 28 ILE HG2% A 30 ASN HD2y 1.0 . 5.50 691 492 A 28 ILE HG2% A 30 ASN HD2x 1.0 . 5.50 692 493 A 28 ILE HG2% A 36 LEU HA 1.0 . 4.81 693 494 A 28 ILE HG2% A 38 ILE HA 1.0 . 4.34 694 495 A 28 ILE HG2% A 38 ILE HB 1.0 . 4.37 695 496 A 28 ILE HG2% A 38 ILE HG1y 1.0 . 3.66 696 497 A 39 VAL H A 28 ILE HG2% 1.0 . 4.60 697 498 A 61 TYR HD% A 28 ILE HG2% 1.0 . 5.50 698 499 A 61 TYR HE% A 28 ILE HG2% 1.0 . 5.50 699 500 A 29 LEU HG A 29 LEU H 1.0 . 5.22 700 501 A 29 LEU H A 29 LEU HDx% 1.0 . 5.13 701 501 A 29 LEU HDy% A 29 LEU H 1.0 . 5.13 702 502 A 29 LEU H A 37 GLN H 1.0 . 5.50 703 503 A 38 ILE HA A 29 LEU H 1.0 . 5.09 704 504 A 29 LEU HA A 29 LEU HDx% 1.0 . 3.71 705 504 A 29 LEU HDy% A 29 LEU HA 1.0 . 3.71 706 505 A 29 LEU HA A 30 ASN H 1.0 . 3.57 707 506 A 29 LEU HG A 37 GLN H 1.0 . 5.50 708 507 A 29 LEU HBx A 29 LEU HDx% 1.0 . 3.27 709 507 A 29 LEU HBy A 29 LEU HDx% 1.0 . 3.27 710 507 A 29 LEU HDy% A 29 LEU HBx 1.0 . 3.27 711 507 A 29 LEU HDy% A 29 LEU HBy 1.0 . 3.27 712 508 A 30 ASN H A 29 LEU HBx 1.0 . 4.33 713 508 A 29 LEU HBy A 30 ASN H 1.0 . 4.33 714 509 A 37 GLN H A 29 LEU HBx 1.0 . 4.08 715 509 A 29 LEU HBy A 37 GLN H 1.0 . 4.08 716 510 A 37 GLN HBy A 29 LEU HBx 1.0 . 4.77 717 510 A 29 LEU HBy A 37 GLN HBy 1.0 . 4.77 718 511 A 37 GLN HE2y A 29 LEU HBx 1.0 . 4.92 719 511 A 37 GLN HE2y A 29 LEU HBy 1.0 . 4.92 720 512 A 37 GLN HE2x A 29 LEU HBx 1.0 . 5.38 721 512 A 37 GLN HE2x A 29 LEU HBy 1.0 . 5.38 722 513 A 37 GLN HGx A 29 LEU HBx 1.0 . 5.50 723 513 A 29 LEU HBy A 37 GLN HGx 1.0 . 5.50 724 514 A 37 GLN HGy A 29 LEU HBx 1.0 . 5.50 725 514 A 29 LEU HBy A 37 GLN HGy 1.0 . 5.50 726 515 A 30 ASN H A 29 LEU HDx% 1.0 . 4.81 727 515 A 29 LEU HDy% A 30 ASN H 1.0 . 4.81 728 516 A 30 ASN HD2y A 29 LEU HDx% 1.0 . 4.91 729 516 A 29 LEU HDy% A 30 ASN HD2y 1.0 . 4.91 730 517 A 30 ASN HD2x A 29 LEU HDx% 1.0 . 5.10 731 517 A 29 LEU HDy% A 30 ASN HD2x 1.0 . 5.10 732 518 A 30 ASN HD2y A 30 ASN HA 1.0 . 5.50 733 519 A 30 ASN HA A 31 THR H 1.0 . 3.45 734 520 A 36 LEU HA A 30 ASN HA 1.0 . 5.50 735 521 A 30 ASN HA A 36 LEU HDx% 1.0 . 4.53 736 521 A 30 ASN HA A 36 LEU HDy% 1.0 . 4.53 737 522 A 37 GLN H A 30 ASN HA 1.0 . 5.50 738 523 A 30 ASN HBy A 31 THR H 1.0 . 5.50 739 524 A 30 ASN HBy A 36 LEU HDx% 1.0 . 4.85 740 524 A 30 ASN HBy A 36 LEU HDy% 1.0 . 4.85 741 525 A 30 ASN HBx A 31 THR H 1.0 . 5.30 742 526 A 30 ASN HBx A 36 LEU HDx% 1.0 . 4.72 743 526 A 30 ASN HBx A 36 LEU HDy% 1.0 . 4.72 744 527 A 31 THR HG2% A 31 THR H 1.0 . 4.36 745 528 A 31 THR H A 34 CYS H 1.0 . 5.03 746 529 A 31 THR H A 34 CYS HBy 1.0 . 5.50 747 530 A 31 THR H A 34 CYS HBx 1.0 . 5.50 748 531 A 31 THR H A 35 ALA H 1.0 . 5.50 749 532 A 31 THR H A 35 ALA HA 1.0 . 5.14 750 533 A 37 GLN HE2y A 31 THR H 1.0 . 5.50 751 534 A 37 GLN HE2x A 31 THR H 1.0 . 5.50 752 535 A 31 THR HG2% A 31 THR HA 1.0 . 4.14 753 536 A 31 THR HA A 32 PRO HDy 1.0 . 3.45 754 537 A 31 THR HB A 32 PRO HDx 1.0 . 4.41 755 538 A 31 THR HB A 34 CYS H 1.0 . 5.50 756 539 A 31 THR HB A 34 CYS HBy 1.0 . 5.17 757 540 A 31 THR HB A 34 CYS HBx 1.0 . 4.62 758 541 A 31 THR HB A 37 GLN H 1.0 . 5.50 759 542 A 31 THR HB A 37 GLN HE2y 1.0 . 5.17 760 543 A 31 THR HB A 37 GLN HE2x 1.0 . 5.10 761 544 A 31 THR HG2% A 32 PRO HDx 1.0 . 4.04 762 545 A 31 THR HG2% A 32 PRO HDy 1.0 . 3.69 763 546 A 31 THR HG2% A 34 CYS H 1.0 . 4.20 764 547 A 31 THR HG2% A 34 CYS HBy 1.0 . 5.50 765 548 A 31 THR HG2% A 34 CYS HBx 1.0 . 5.12 766 549 A 31 THR HG2% A 37 GLN H 1.0 . 5.50 767 550 A 31 THR HG2% A 37 GLN HE2y 1.0 . 5.50 768 551 A 31 THR HG2% A 37 GLN HE2x 1.0 . 5.50 769 552 A 32 PRO HA A 33 ASN H 1.0 . 3.52 770 553 A 34 CYS H A 32 PRO HA 1.0 . 5.08 771 554 A 32 PRO HBy A 33 ASN HD2y 1.0 . 5.50 772 555 A 32 PRO HBy A 33 ASN HD2x 1.0 . 5.49 773 556 A 33 ASN H A 32 PRO HBx 1.0 . 4.57 774 557 A 33 ASN HD2y A 32 PRO HBx 1.0 . 5.10 775 558 A 33 ASN HD2x A 32 PRO HBx 1.0 . 5.37 776 559 A 32 PRO HDx A 33 ASN H 1.0 . 4.91 777 560 A 32 PRO HDy A 33 ASN H 1.0 . 5.22 778 561 A 32 PRO HDy A 33 ASN HD2y 1.0 . 5.28 779 562 A 33 ASN H A 33 ASN HBx 1.0 . 4.03 780 563 A 33 ASN H A 33 ASN HBy 1.0 . 3.78 781 564 A 33 ASN H A 33 ASN HD2y 1.0 . 5.46 782 565 A 33 ASN H A 33 ASN HD2x 1.0 . 5.50 783 566 A 34 CYS H A 33 ASN H 1.0 . 3.50 784 567 A 33 ASN HD2y A 33 ASN HA 1.0 . 4.87 785 568 A 33 ASN HD2y A 33 ASN HBy 1.0 . 3.42 786 569 A 34 CYS H A 34 CYS HBy 1.0 . 3.85 787 570 A 34 CYS H A 34 CYS HBx 1.0 . 3.50 788 571 A 35 ALA H A 34 CYS HA 1.0 . 3.30 789 572 A 34 CYS HBy A 35 ALA H 1.0 . 3.72 790 573 A 37 GLN HE2y A 34 CYS HBy 1.0 . 4.87 791 574 A 37 GLN HE2x A 34 CYS HBy 1.0 . 5.05 792 575 A 34 CYS HBx A 35 ALA H 1.0 . 4.09 793 576 A 37 GLN HE2y A 34 CYS HBx 1.0 . 4.91 794 577 A 37 GLN HE2x A 34 CYS HBx 1.0 . 5.01 795 578 A 37 GLN HGy A 34 CYS HBx 1.0 . 5.50 796 579 A 35 ALA H A 35 ALA HB% 1.0 . 2.98 797 580 A 35 ALA H A 36 LEU H 1.0 . 4.88 798 581 A 35 ALA HA A 36 LEU H 1.0 . 3.47 799 582 A 35 ALA HB% A 36 LEU H 1.0 . 3.23 800 583 A 37 GLN HE2y A 35 ALA HB% 1.0 . 4.89 801 584 A 37 GLN HE2x A 35 ALA HB% 1.0 . 5.29 802 585 A 36 LEU H A 36 LEU HBx 1.0 . 4.04 803 586 A 36 LEU H A 36 LEU HBy 1.0 . 3.44 804 587 A 36 LEU H A 36 LEU HDx% 1.0 . 4.84 805 588 A 36 LEU HDy% A 36 LEU H 1.0 . 4.84 806 589 A 36 LEU H A 36 LEU HDx% 1.0 . 3.96 807 589 A 36 LEU HDy% A 36 LEU H 1.0 . 3.96 808 590 A 36 LEU HA A 36 LEU HG 1.0 . 4.27 809 591 A 36 LEU HA A 36 LEU HDx% 1.0 . 3.93 810 592 A 36 LEU HA A 36 LEU HDy% 1.0 . 3.93 811 593 A 36 LEU HA A 36 LEU HDx% 1.0 . 3.44 812 593 A 36 LEU HA A 36 LEU HDy% 1.0 . 3.44 813 594 A 36 LEU HBx A 36 LEU HDx% 1.0 . 3.66 814 595 A 36 LEU HDy% A 36 LEU HBx 1.0 . 3.66 815 596 A 37 GLN H A 36 LEU HBx 1.0 . 4.90 816 597 A 36 LEU HBy A 36 LEU HDx% 1.0 . 3.50 817 598 A 36 LEU HDy% A 36 LEU HBy 1.0 . 3.50 818 599 A 37 GLN H A 36 LEU HBy 1.0 . 5.40 819 600 A 37 GLN H A 36 LEU HDx% 1.0 . 4.70 820 601 A 37 GLN H A 36 LEU HDy% 1.0 . 4.70 821 602 A 37 GLN H A 36 LEU HDx% 1.0 . 3.62 822 602 A 37 GLN H A 36 LEU HDy% 1.0 . 3.62 823 603 A 37 GLN HE2y A 36 LEU HDx% 1.0 . 4.98 824 603 A 37 GLN HE2y A 36 LEU HDy% 1.0 . 4.98 825 604 A 37 GLN HE2x A 36 LEU HDx% 1.0 . 5.28 826 604 A 37 GLN HE2x A 36 LEU HDy% 1.0 . 5.28 827 605 A 53 PRO HA A 36 LEU HDx% 1.0 . 4.43 828 605 A 53 PRO HA A 36 LEU HDy% 1.0 . 4.43 829 606 A 36 LEU HDy% A 53 PRO HGy 1.0 . 3.52 830 606 A 36 LEU HDx% A 53 PRO HGy 1.0 . 3.52 831 606 A 53 PRO HGx A 36 LEU HDx% 1.0 . 3.52 832 606 A 53 PRO HGx A 36 LEU HDy% 1.0 . 3.52 833 607 A 37 GLN HE2y A 37 GLN H 1.0 . 5.50 834 608 A 37 GLN HE2x A 37 GLN H 1.0 . 5.50 835 609 A 37 GLN H A 37 GLN HGx 1.0 . 4.58 836 610 A 37 GLN H A 37 GLN HGy 1.0 . 4.44 837 611 A 37 GLN HE2y A 37 GLN HBy 1.0 . 4.71 838 612 A 37 GLN HE2x A 37 GLN HBy 1.0 . 5.04 839 613 A 37 GLN HBy A 38 ILE H 1.0 . 5.37 840 614 A 37 GLN HBy A 39 VAL HGx% 1.0 . 5.14 841 614 A 39 VAL HGy% A 37 GLN HBy 1.0 . 5.14 842 615 A 37 GLN HE2y A 37 GLN HBx 1.0 . 4.88 843 616 A 37 GLN HE2x A 37 GLN HBx 1.0 . 5.09 844 617 A 38 ILE H A 37 GLN HBx 1.0 . 5.05 845 618 A 38 ILE HG1y A 38 ILE H 1.0 . 4.69 846 619 A 38 ILE HG1x A 38 ILE H 1.0 . 5.35 847 620 A 38 ILE HD1% A 38 ILE H 1.0 . 4.58 848 621 A 38 ILE HG2% A 38 ILE H 1.0 . 5.12 849 622 A 51 ILE H A 38 ILE H 1.0 . 5.50 850 623 A 38 ILE HA A 38 ILE HD1% 1.0 . 4.06 851 624 A 38 ILE HG2% A 38 ILE HA 1.0 . 3.77 852 625 A 38 ILE HB A 38 ILE HD1% 1.0 . 3.38 853 626 A 39 VAL H A 38 ILE HB 1.0 . 5.50 854 627 A 51 ILE H A 38 ILE HB 1.0 . 4.56 855 628 A 51 ILE HB A 38 ILE HB 1.0 . 4.03 856 629 A 51 ILE HG1y A 38 ILE HB 1.0 . 4.81 857 630 A 51 ILE HG1x A 38 ILE HB 1.0 . 5.07 858 631 A 51 ILE HG2% A 38 ILE HB 1.0 . 5.05 859 632 A 38 ILE HB A 58 ILE HD1% 1.0 . 5.46 860 633 A 39 VAL H A 38 ILE HG1y 1.0 . 5.50 861 634 A 38 ILE HG1y A 53 PRO HA 1.0 . 5.50 862 635 A 39 VAL H A 38 ILE HG1x 1.0 . 5.50 863 636 A 38 ILE HG1x A 53 PRO HA 1.0 . 5.50 864 637 A 39 VAL H A 38 ILE HD1% 1.0 . 5.50 865 638 A 52 ASP HA A 38 ILE HD1% 1.0 . 5.50 866 639 A 52 ASP HBx A 38 ILE HD1% 1.0 . 5.50 867 640 A 52 ASP HBy A 38 ILE HD1% 1.0 . 5.48 868 641 A 38 ILE HD1% A 53 PRO HA 1.0 . 4.00 869 642 A 53 PRO HDy A 38 ILE HD1% 1.0 . 5.50 870 643 A 38 ILE HD1% A 54 LYS H 1.0 . 5.18 871 644 A 38 ILE HD1% A 58 ILE HD1% 1.0 . 4.08 872 645 A 61 TYR HD% A 38 ILE HD1% 1.0 . 4.42 873 646 A 61 TYR HE% A 38 ILE HD1% 1.0 . 5.50 874 647 A 38 ILE HG2% A 38 ILE HG1y 1.0 . 3.66 875 648 A 38 ILE HG2% A 38 ILE HG1x 1.0 . 3.92 876 649 A 38 ILE HG2% A 38 ILE HD1% 1.0 . 2.40 877 650 A 38 ILE HG2% A 39 VAL H 1.0 . 4.06 878 651 A 51 ILE H A 38 ILE HG2% 1.0 . 4.99 879 652 A 38 ILE HG2% A 53 PRO HA 1.0 . 5.50 880 653 A 38 ILE HG2% A 58 ILE HD1% 1.0 . 3.72 881 654 A 39 VAL H A 39 VAL HB 1.0 . 4.16 882 655 A 39 VAL H A 39 VAL HGx% 1.0 . 3.84 883 655 A 39 VAL HGy% A 39 VAL H 1.0 . 3.84 884 656 A 39 VAL H A 40 ALA H 1.0 . 5.50 885 657 A 39 VAL HA A 39 VAL HGx% 1.0 . 3.76 886 657 A 39 VAL HGy% A 39 VAL HA 1.0 . 3.76 887 658 A 40 ALA H A 39 VAL HA 1.0 . 3.21 888 659 A 39 VAL HA A 50 CYS HA 1.0 . 4.22 889 660 A 51 ILE H A 39 VAL HA 1.0 . 4.30 890 661 A 51 ILE HG1y A 39 VAL HA 1.0 . 5.50 891 662 A 51 ILE HG1x A 39 VAL HA 1.0 . 5.50 892 663 A 39 VAL HB A 40 ALA H 1.0 . 4.03 893 664 A 39 VAL HB A 50 CYS HA 1.0 . 5.50 894 665 A 40 ALA H A 39 VAL HGx% 1.0 . 3.68 895 665 A 39 VAL HGy% A 40 ALA H 1.0 . 3.68 896 666 A 48 GLN HA A 39 VAL HGx% 1.0 . 4.93 897 666 A 39 VAL HGy% A 48 GLN HA 1.0 . 4.93 898 667 A 48 GLN HBy A 39 VAL HGx% 1.0 . 4.20 899 667 A 39 VAL HGy% A 48 GLN HBy 1.0 . 4.20 900 668 A 48 GLN HE2y A 39 VAL HGx% 1.0 . 4.17 901 668 A 39 VAL HGy% A 48 GLN HE2y 1.0 . 4.17 902 669 A 48 GLN HE2x A 39 VAL HGx% 1.0 . 4.46 903 669 A 39 VAL HGy% A 48 GLN HE2x 1.0 . 4.46 904 670 A 48 GLN HGx A 39 VAL HGx% 1.0 . 4.23 905 670 A 39 VAL HGy% A 48 GLN HGx 1.0 . 4.23 906 671 A 48 GLN HGy A 39 VAL HGx% 1.0 . 4.16 907 671 A 39 VAL HGy% A 48 GLN HGy 1.0 . 4.16 908 672 A 50 CYS HA A 39 VAL HGx% 1.0 . 4.59 909 672 A 39 VAL HGy% A 50 CYS HA 1.0 . 4.59 910 673 A 50 CYS HBy A 39 VAL HGx% 1.0 . 5.50 911 673 A 50 CYS HBy A 39 VAL HGy% 1.0 . 5.50 912 674 A 50 CYS HBx A 39 VAL HGx% 1.0 . 5.50 913 674 A 50 CYS HBx A 39 VAL HGy% 1.0 . 5.50 914 675 A 51 ILE H A 39 VAL HGx% 1.0 . 4.60 915 675 A 39 VAL HGy% A 51 ILE H 1.0 . 4.60 916 676 A 40 ALA HB% A 40 ALA H 1.0 . 3.59 917 677 A 40 ALA H A 48 GLN HA 1.0 . 5.50 918 678 A 40 ALA H A 48 GLN HGx 1.0 . 5.50 919 679 A 40 ALA H A 48 GLN HGy 1.0 . 5.30 920 680 A 40 ALA H A 49 VAL H 1.0 . 3.89 921 681 A 49 VAL HGy% A 40 ALA H 1.0 . 4.97 922 682 A 40 ALA H A 50 CYS HA 1.0 . 5.02 923 683 A 51 ILE H A 40 ALA H 1.0 . 5.35 924 684 A 51 ILE HG1y A 40 ALA H 1.0 . 5.50 925 685 A 51 ILE HG1x A 40 ALA H 1.0 . 5.50 926 686 A 51 ILE HD1% A 40 ALA H 1.0 . 4.78 927 687 A 40 ALA HA A 41 ARG H 1.0 . 3.43 928 688 A 51 ILE HD1% A 40 ALA HA 1.0 . 5.50 929 689 A 40 ALA HB% A 41 ARG H 1.0 . 3.67 930 690 A 40 ALA HB% A 49 VAL H 1.0 . 4.52 931 691 A 40 ALA HB% A 49 VAL HB 1.0 . 5.21 932 692 A 49 VAL HGy% A 40 ALA HB% 1.0 . 3.71 933 693 A 40 ALA HB% A 51 ILE HG1x 1.0 . 3.02 934 694 A 51 ILE HD1% A 40 ALA HB% 1.0 . 3.24 935 695 A 40 ALA HB% A 57 TRP HH2 1.0 . 4.82 936 696 A 40 ALA HB% A 57 TRP HZ2 1.0 . 4.90 937 697 A 41 ARG H A 41 ARG HBy 1.0 . 3.85 938 698 A 41 ARG H A 41 ARG HBx 1.0 . 3.82 939 699 A 41 ARG H A 41 ARG HGy 1.0 . 5.12 940 700 A 41 ARG H A 41 ARG HDx 1.0 . 5.50 941 700 A 41 ARG H A 41 ARG HDy 1.0 . 5.50 942 701 A 41 ARG H A 42 LEU H 1.0 . 5.02 943 702 A 41 ARG HA A 41 ARG HDx 1.0 . 3.94 944 702 A 41 ARG HA A 41 ARG HDy 1.0 . 3.94 945 703 A 41 ARG HA A 42 LEU H 1.0 . 3.45 946 704 A 41 ARG HA A 48 GLN HA 1.0 . 3.08 947 705 A 41 ARG HA A 48 GLN HGx 1.0 . 5.03 948 706 A 41 ARG HA A 48 GLN HGy 1.0 . 4.88 949 707 A 41 ARG HA A 49 VAL H 1.0 . 4.12 950 708 A 41 ARG HBy A 42 LEU H 1.0 . 5.50 951 709 A 41 ARG HBy A 46 ASN HA 1.0 . 5.50 952 710 A 41 ARG HBy A 48 GLN HA 1.0 . 5.02 953 711 A 41 ARG HBx A 41 ARG HDx 1.0 . 3.28 954 711 A 41 ARG HBx A 41 ARG HDy 1.0 . 3.28 955 712 A 41 ARG HBx A 42 LEU H 1.0 . 5.50 956 713 A 41 ARG HBx A 46 ASN HA 1.0 . 5.50 957 714 A 41 ARG HBx A 48 GLN HA 1.0 . 5.32 958 715 A 42 LEU H A 41 ARG HGx 1.0 . 4.86 959 716 A 48 GLN HA A 41 ARG HGx 1.0 . 4.55 960 717 A 41 ARG HGy A 42 LEU H 1.0 . 3.92 961 718 A 48 GLN HA A 41 ARG HGy 1.0 . 4.65 962 719 A 48 GLN HBy A 41 ARG HGy 1.0 . 4.66 963 720 A 48 GLN HGx A 41 ARG HGy 1.0 . 5.03 964 721 A 48 GLN HGy A 41 ARG HGy 1.0 . 4.80 965 722 A 42 LEU H A 41 ARG HDx 1.0 . 4.51 966 722 A 41 ARG HDy A 42 LEU H 1.0 . 4.51 967 723 A 46 ASN HA A 41 ARG HDx 1.0 . 4.57 968 723 A 41 ARG HDy A 46 ASN HA 1.0 . 4.57 969 724 A 46 ASN HD2y A 41 ARG HDx 1.0 . 5.50 970 724 A 41 ARG HDy A 46 ASN HD2y 1.0 . 5.50 971 725 A 46 ASN HD2x A 41 ARG HDx 1.0 . 5.22 972 725 A 41 ARG HDy A 46 ASN HD2x 1.0 . 5.22 973 726 A 47 ARG H A 41 ARG HDx 1.0 . 5.50 974 726 A 41 ARG HDy A 47 ARG H 1.0 . 5.50 975 727 A 48 GLN H A 41 ARG HDx 1.0 . 5.50 976 727 A 41 ARG HDy A 48 GLN H 1.0 . 5.50 977 728 A 48 GLN HA A 41 ARG HDx 1.0 . 4.03 978 728 A 41 ARG HDy A 48 GLN HA 1.0 . 4.03 979 729 A 48 GLN HBy A 41 ARG HDx 1.0 . 5.16 980 729 A 41 ARG HDy A 48 GLN HBy 1.0 . 5.16 981 730 A 48 GLN HBx A 41 ARG HDx 1.0 . 4.74 982 730 A 41 ARG HDy A 48 GLN HBx 1.0 . 4.74 983 731 A 48 GLN HGx A 41 ARG HDx 1.0 . 4.96 984 731 A 41 ARG HDy A 48 GLN HGx 1.0 . 4.96 985 732 A 48 GLN HGy A 41 ARG HDx 1.0 . 4.82 986 732 A 41 ARG HDy A 48 GLN HGy 1.0 . 4.82 987 733 A 42 LEU HBy A 42 LEU H 1.0 . 4.00 988 734 A 42 LEU HG A 42 LEU H 1.0 . 3.50 989 735 A 42 LEU HDx% A 42 LEU H 1.0 . 4.56 990 736 A 42 LEU HDy% A 42 LEU H 1.0 . 4.12 991 737 A 42 LEU H A 47 ARG H 1.0 . 4.21 992 738 A 42 LEU H A 47 ARG HBx 1.0 . 5.50 993 739 A 42 LEU H A 47 ARG HBy 1.0 . 5.50 994 740 A 48 GLN HA A 42 LEU H 1.0 . 3.43 995 741 A 42 LEU HDx% A 42 LEU HA 1.0 . 5.00 996 742 A 42 LEU HDy% A 42 LEU HA 1.0 . 3.33 997 743 A 43 LYS H A 42 LEU HA 1.0 . 3.14 998 744 A 42 LEU HA A 44 ASN H 1.0 . 4.57 999 745 A 42 LEU HBx A 42 LEU HDx% 1.0 . 3.39 1000 746 A 42 LEU HBx A 42 LEU HDy% 1.0 . 4.17 1001 747 A 42 LEU HBx A 43 LYS H 1.0 . 4.76 1002 748 A 42 LEU HBx A 44 ASN H 1.0 . 5.37 1003 749 A 42 LEU HBx A 47 ARG H 1.0 . 5.50 1004 750 A 42 LEU HBy A 42 LEU HDx% 1.0 . 3.78 1005 751 A 42 LEU HBy A 42 LEU HDy% 1.0 . 4.10 1006 752 A 42 LEU HBy A 43 LYS H 1.0 . 4.56 1007 753 A 42 LEU HBy A 44 ASN H 1.0 . 4.46 1008 754 A 42 LEU HBy A 45 ASN H 1.0 . 4.57 1009 755 A 42 LEU HBy A 45 ASN HD2y 1.0 . 5.46 1010 756 A 42 LEU HBy A 46 ASN H 1.0 . 5.19 1011 757 A 42 LEU HBy A 47 ARG H 1.0 . 4.17 1012 758 A 42 LEU HBy A 47 ARG HBx 1.0 . 5.18 1013 759 A 49 VAL HGy% A 42 LEU HG 1.0 . 4.60 1014 760 A 42 LEU HDx% A 43 LYS H 1.0 . 4.83 1015 761 A 42 LEU HDx% A 44 ASN H 1.0 . 5.11 1016 762 A 42 LEU HDx% A 45 ASN H 1.0 . 5.50 1017 763 A 42 LEU HDx% A 45 ASN HD2y 1.0 . 4.47 1018 764 A 42 LEU HDx% A 45 ASN HD2x 1.0 . 4.52 1019 765 A 42 LEU HDx% A 47 ARG H 1.0 . 4.48 1020 766 A 42 LEU HDx% A 47 ARG HBx 1.0 . 4.19 1021 767 A 42 LEU HDx% A 47 ARG HBy 1.0 . 4.32 1022 768 A 42 LEU HDx% A 47 ARG HDy 1.0 . 5.07 1023 769 A 42 LEU HDx% A 47 ARG HDx 1.0 . 5.39 1024 770 A 42 LEU HDy% A 43 LYS H 1.0 . 3.93 1025 771 A 42 LEU HDy% A 47 ARG H 1.0 . 4.99 1026 772 A 43 LYS HBy A 43 LYS H 1.0 . 3.62 1027 773 A 43 LYS HBx A 43 LYS H 1.0 . 4.09 1028 774 A 43 LYS H A 43 LYS HEy 1.0 . 5.36 1029 775 A 43 LYS H A 43 LYS HEx 1.0 . 5.36 1030 776 A 43 LYS H A 43 LYS HGy 1.0 . 3.86 1031 777 A 43 LYS HGx A 43 LYS H 1.0 . 3.86 1032 778 A 43 LYS H A 43 LYS HDx 1.0 . 5.36 1033 778 A 43 LYS HDy A 43 LYS H 1.0 . 5.36 1034 779 A 43 LYS H A 43 LYS HGy 1.0 . 3.35 1035 779 A 43 LYS HGx A 43 LYS H 1.0 . 3.35 1036 780 A 43 LYS HA A 43 LYS HDx 1.0 . 5.22 1037 780 A 43 LYS HDy A 43 LYS HA 1.0 . 5.22 1038 781 A 43 LYS HA A 43 LYS HEx 1.0 . 5.34 1039 781 A 43 LYS HA A 43 LYS HEy 1.0 . 5.34 1040 782 A 43 LYS HA A 43 LYS HGy 1.0 . 3.58 1041 782 A 43 LYS HGx A 43 LYS HA 1.0 . 3.58 1042 783 A 43 LYS HA A 44 ASN H 1.0 . 3.56 1043 784 A 43 LYS HA A 46 ASN H 1.0 . 5.27 1044 785 A 43 LYS HBy A 43 LYS HEy 1.0 . 5.04 1045 786 A 43 LYS HBy A 43 LYS HEx 1.0 . 5.04 1046 787 A 43 LYS HBy A 43 LYS HEx 1.0 . 4.42 1047 787 A 43 LYS HBy A 43 LYS HEy 1.0 . 4.42 1048 788 A 43 LYS HBy A 44 ASN H 1.0 . 3.95 1049 789 A 43 LYS HBx A 43 LYS HEy 1.0 . 3.83 1050 790 A 43 LYS HBx A 43 LYS HEx 1.0 . 3.83 1051 791 A 43 LYS HBx A 43 LYS HEx 1.0 . 3.36 1052 791 A 43 LYS HBx A 43 LYS HEy 1.0 . 3.36 1053 792 A 43 LYS HBx A 44 ASN H 1.0 . 3.67 1054 793 A 43 LYS HEx A 43 LYS HGy 1.0 . 3.28 1055 793 A 43 LYS HEy A 43 LYS HGy 1.0 . 3.28 1056 793 A 43 LYS HGx A 43 LYS HEx 1.0 . 3.28 1057 793 A 43 LYS HGx A 43 LYS HEy 1.0 . 3.28 1058 794 A 44 ASN H A 43 LYS HGy 1.0 . 4.53 1059 794 A 43 LYS HGx A 44 ASN H 1.0 . 4.53 1060 795 A 44 ASN H A 44 ASN HBy 1.0 . 3.70 1061 796 A 44 ASN H A 44 ASN HBx 1.0 . 3.70 1062 797 A 44 ASN H A 45 ASN H 1.0 . 3.72 1063 798 A 44 ASN H A 46 ASN H 1.0 . 4.68 1064 799 A 45 ASN H A 45 ASN HBx 1.0 . 4.17 1065 800 A 45 ASN H A 46 ASN H 1.0 . 3.21 1066 801 A 45 ASN HD2y A 45 ASN HA 1.0 . 5.21 1067 802 A 46 ASN H A 45 ASN HBy 1.0 . 4.65 1068 803 A 47 ARG H A 45 ASN HD2y 1.0 . 4.91 1069 804 A 47 ARG HBy A 45 ASN HD2y 1.0 . 4.65 1070 805 A 45 ASN HD2y A 47 ARG HDy 1.0 . 4.89 1071 806 A 45 ASN HD2y A 47 ARG HDx 1.0 . 4.77 1072 807 A 45 ASN HD2y A 47 ARG HGx 1.0 . 4.94 1073 807 A 45 ASN HD2y A 47 ARG HGy 1.0 . 4.94 1074 808 A 47 ARG H A 45 ASN HD2x 1.0 . 5.50 1075 809 A 47 ARG HBx A 45 ASN HD2x 1.0 . 5.50 1076 810 A 47 ARG HBy A 45 ASN HD2x 1.0 . 4.69 1077 811 A 45 ASN HD2x A 47 ARG HDy 1.0 . 5.03 1078 812 A 45 ASN HD2x A 47 ARG HDx 1.0 . 5.03 1079 813 A 45 ASN HD2x A 47 ARG HGx 1.0 . 5.27 1080 813 A 45 ASN HD2x A 47 ARG HGy 1.0 . 5.27 1081 814 A 46 ASN H A 46 ASN HBy 1.0 . 4.15 1082 815 A 46 ASN H A 46 ASN HBx 1.0 . 4.15 1083 816 A 46 ASN H A 46 ASN HBx 1.0 . 3.57 1084 816 A 46 ASN H A 46 ASN HBy 1.0 . 3.57 1085 817 A 46 ASN HD2x A 46 ASN HBx 1.0 . 3.57 1086 817 A 46 ASN HD2x A 46 ASN HBy 1.0 . 3.57 1087 818 A 47 ARG H A 47 ARG HBx 1.0 . 3.20 1088 819 A 47 ARG H A 47 ARG HBy 1.0 . 3.99 1089 820 A 47 ARG H A 47 ARG HDy 1.0 . 5.03 1090 821 A 47 ARG H A 47 ARG HDx 1.0 . 4.24 1091 822 A 47 ARG H A 47 ARG HGx 1.0 . 3.37 1092 822 A 47 ARG H A 47 ARG HGy 1.0 . 3.37 1093 823 A 47 ARG H A 48 GLN H 1.0 . 4.76 1094 824 A 47 ARG HDx A 47 ARG HA 1.0 . 5.00 1095 825 A 47 ARG HA A 47 ARG HGx 1.0 . 3.64 1096 825 A 47 ARG HGy A 47 ARG HA 1.0 . 3.64 1097 826 A 48 GLN H A 47 ARG HA 1.0 . 3.13 1098 827 A 47 ARG HBx A 47 ARG HGx 1.0 . 2.86 1099 827 A 47 ARG HBx A 47 ARG HGy 1.0 . 2.86 1100 828 A 48 GLN H A 47 ARG HBx 1.0 . 4.09 1101 829 A 47 ARG HBy A 47 ARG HDy 1.0 . 4.13 1102 830 A 47 ARG HBy A 47 ARG HGx 1.0 . 3.01 1103 830 A 47 ARG HBy A 47 ARG HGy 1.0 . 3.01 1104 831 A 48 GLN H A 47 ARG HBy 1.0 . 4.60 1105 832 A 48 GLN H A 47 ARG HDx 1.0 . 4.95 1106 833 A 48 GLN H A 47 ARG HGx 1.0 . 3.89 1107 833 A 48 GLN H A 47 ARG HGy 1.0 . 3.89 1108 834 A 48 GLN HBy A 48 GLN H 1.0 . 3.98 1109 835 A 48 GLN H A 48 GLN HBx 1.0 . 3.50 1110 836 A 48 GLN HGx A 48 GLN H 1.0 . 4.64 1111 837 A 48 GLN HGy A 48 GLN H 1.0 . 4.19 1112 838 A 49 VAL H A 48 GLN H 1.0 . 4.87 1113 839 A 48 GLN HA A 49 VAL H 1.0 . 3.08 1114 840 A 48 GLN HBy A 48 GLN HE2y 1.0 . 4.99 1115 841 A 48 GLN HBy A 48 GLN HGx 1.0 . 2.88 1116 842 A 48 GLN HBy A 49 VAL H 1.0 . 4.66 1117 843 A 48 GLN HE2y A 48 GLN HBx 1.0 . 4.70 1118 844 A 48 GLN HE2x A 48 GLN HBx 1.0 . 5.16 1119 845 A 49 VAL H A 48 GLN HBx 1.0 . 4.38 1120 846 A 48 GLN HGx A 49 VAL H 1.0 . 4.78 1121 847 A 48 GLN HGy A 49 VAL H 1.0 . 4.16 1122 848 A 49 VAL H A 49 VAL HB 1.0 . 4.02 1123 849 A 49 VAL H A 49 VAL HGx% 1.0 . 3.87 1124 850 A 49 VAL HGy% A 49 VAL H 1.0 . 3.61 1125 851 A 49 VAL HGx% A 49 VAL HA 1.0 . 3.48 1126 852 A 49 VAL HA A 50 CYS H 1.0 . 3.55 1127 853 A 49 VAL HB A 50 CYS H 1.0 . 3.62 1128 854 A 49 VAL HGx% A 50 CYS H 1.0 . 4.45 1129 855 A 49 VAL HGy% A 50 CYS H 1.0 . 4.60 1130 856 A 50 CYS HBy A 50 CYS H 1.0 . 4.14 1131 857 A 50 CYS HBy A 51 ILE H 1.0 . 5.00 1132 858 A 50 CYS HBx A 51 ILE H 1.0 . 4.52 1133 859 A 51 ILE H A 51 ILE HB 1.0 . 3.94 1134 860 A 51 ILE HG1y A 51 ILE H 1.0 . 4.63 1135 861 A 51 ILE H A 51 ILE HG1x 1.0 . 4.07 1136 862 A 51 ILE H A 51 ILE HD1% 1.0 . 5.40 1137 863 A 51 ILE H A 51 ILE HG2% 1.0 . 3.88 1138 864 A 51 ILE HA A 51 ILE HD1% 1.0 . 4.28 1139 865 A 51 ILE HA A 51 ILE HG2% 1.0 . 3.70 1140 866 A 52 ASP H A 51 ILE HA 1.0 . 3.25 1141 867 A 52 ASP H A 51 ILE HB 1.0 . 4.62 1142 868 A 51 ILE HB A 58 ILE HG1x 1.0 . 5.50 1143 869 A 51 ILE HB A 58 ILE HD1% 1.0 . 5.06 1144 870 A 51 ILE HG1y A 52 ASP H 1.0 . 5.13 1145 871 A 51 ILE HG1y A 58 ILE HG1x 1.0 . 5.50 1146 872 A 51 ILE HG1y A 58 ILE HD1% 1.0 . 5.50 1147 873 A 52 ASP H A 51 ILE HG1x 1.0 . 5.50 1148 874 A 51 ILE HG1x A 58 ILE HD1% 1.0 . 5.50 1149 875 A 52 ASP H A 51 ILE HD1% 1.0 . 5.49 1150 876 A 51 ILE HD1% A 57 TRP HH2 1.0 . 3.89 1151 877 A 51 ILE HD1% A 57 TRP HZ2 1.0 . 3.93 1152 878 A 51 ILE HD1% A 58 ILE HD1% 1.0 . 3.86 1153 879 A 51 ILE HG1y A 51 ILE HG2% 1.0 . 3.73 1154 880 A 52 ASP H A 51 ILE HG2% 1.0 . 3.59 1155 881 A 52 ASP HA A 51 ILE HG2% 1.0 . 5.47 1156 882 A 51 ILE HG2% A 53 PRO HA 1.0 . 5.37 1157 883 A 51 ILE HG2% A 55 LEU H 1.0 . 4.66 1158 884 A 51 ILE HG2% A 55 LEU HBx 1.0 . 3.51 1159 885 A 51 ILE HG2% A 57 TRP HH2 1.0 . 5.40 1160 886 A 51 ILE HG2% A 57 TRP HZ2 1.0 . 4.91 1161 887 A 51 ILE HG2% A 58 ILE HG1x 1.0 . 4.27 1162 888 A 51 ILE HG2% A 58 ILE HD1% 1.0 . 3.69 1163 889 A 52 ASP H A 52 ASP HBx 1.0 . 3.58 1164 890 A 52 ASP H A 52 ASP HBy 1.0 . 3.57 1165 891 A 52 ASP H A 53 PRO HDx 1.0 . 5.10 1166 892 A 52 ASP H A 53 PRO HDy 1.0 . 5.50 1167 893 A 52 ASP H A 55 LEU HG 1.0 . 4.38 1168 894 A 52 ASP H A 55 LEU HDx% 1.0 . 3.99 1169 895 A 52 ASP HA A 53 PRO HDx 1.0 . 3.79 1170 896 A 52 ASP HA A 54 LYS H 1.0 . 5.26 1171 897 A 52 ASP HA A 55 LEU H 1.0 . 5.50 1172 898 A 52 ASP HBx A 53 PRO HDx 1.0 . 5.50 1173 899 A 52 ASP HBx A 54 LYS H 1.0 . 5.48 1174 900 A 52 ASP HBx A 55 LEU H 1.0 . 5.44 1175 901 A 52 ASP HBx A 55 LEU HG 1.0 . 4.67 1176 902 A 52 ASP HBx A 55 LEU HDx% 1.0 . 4.62 1177 903 A 52 ASP HBy A 53 PRO HDx 1.0 . 5.50 1178 904 A 52 ASP HBy A 54 LYS H 1.0 . 5.21 1179 905 A 52 ASP HBy A 55 LEU H 1.0 . 4.78 1180 906 A 52 ASP HBy A 55 LEU HA 1.0 . 5.50 1181 907 A 52 ASP HBy A 55 LEU HBx 1.0 . 5.50 1182 908 A 52 ASP HBy A 55 LEU HBy 1.0 . 5.50 1183 909 A 52 ASP HBy A 55 LEU HG 1.0 . 4.35 1184 910 A 52 ASP HBy A 55 LEU HDx% 1.0 . 4.27 1185 911 A 52 ASP HBy A 55 LEU HDy% 1.0 . 4.93 1186 912 A 53 PRO HA A 55 LEU H 1.0 . 5.36 1187 913 A 53 PRO HA A 58 ILE HB 1.0 . 5.49 1188 914 A 53 PRO HA A 58 ILE HG1y 1.0 . 5.50 1189 915 A 53 PRO HA A 58 ILE HG1x 1.0 . 5.50 1190 916 A 53 PRO HA A 58 ILE HD1% 1.0 . 4.79 1191 917 A 53 PRO HA A 58 ILE HG2% 1.0 . 3.63 1192 918 A 53 PRO HDx A 54 LYS H 1.0 . 4.20 1193 919 A 53 PRO HDy A 54 LYS H 1.0 . 4.85 1194 920 A 54 LYS H A 53 PRO HGy 1.0 . 4.80 1195 921 A 53 PRO HGx A 54 LYS H 1.0 . 4.80 1196 922 A 54 LYS H A 54 LYS HBx 1.0 . 3.37 1197 922 A 54 LYS H A 54 LYS HBy 1.0 . 3.37 1198 923 A 54 LYS H A 54 LYS HDx 1.0 . 5.50 1199 923 A 54 LYS H A 54 LYS HDy 1.0 . 5.50 1200 924 A 54 LYS H A 54 LYS HEx 1.0 . 5.42 1201 924 A 54 LYS H A 54 LYS HEy 1.0 . 5.42 1202 925 A 54 LYS H A 54 LYS HGx 1.0 . 3.44 1203 925 A 54 LYS H A 54 LYS HGy 1.0 . 3.44 1204 926 A 54 LYS H A 55 LEU H 1.0 . 3.44 1205 927 A 54 LYS H A 58 ILE HG2% 1.0 . 5.45 1206 928 A 54 LYS HA A 54 LYS HDx 1.0 . 4.21 1207 928 A 54 LYS HDy A 54 LYS HA 1.0 . 4.21 1208 929 A 54 LYS HA A 54 LYS HEx 1.0 . 5.50 1209 929 A 54 LYS HEy A 54 LYS HA 1.0 . 5.50 1210 930 A 54 LYS HA A 54 LYS HGx 1.0 . 3.77 1211 930 A 54 LYS HGy A 54 LYS HA 1.0 . 3.77 1212 931 A 54 LYS HA A 59 GLN HE2y 1.0 . 4.32 1213 932 A 54 LYS HA A 59 GLN HE2x 1.0 . 5.19 1214 933 A 54 LYS HBx A 54 LYS HDx 1.0 . 2.86 1215 933 A 54 LYS HBy A 54 LYS HDx 1.0 . 2.86 1216 933 A 54 LYS HDy A 54 LYS HBx 1.0 . 2.86 1217 933 A 54 LYS HBy A 54 LYS HDy 1.0 . 2.86 1218 934 A 54 LYS HBy A 54 LYS HEx 1.0 . 3.58 1219 934 A 54 LYS HEy A 54 LYS HBx 1.0 . 3.58 1220 934 A 54 LYS HBy A 54 LYS HEy 1.0 . 3.58 1221 934 A 54 LYS HBx A 54 LYS HEx 1.0 . 3.58 1222 935 A 55 LEU H A 54 LYS HBx 1.0 . 5.41 1223 935 A 55 LEU H A 54 LYS HBy 1.0 . 5.41 1224 936 A 54 LYS HDy A 54 LYS HEx 1.0 . 2.98 1225 936 A 54 LYS HDx A 54 LYS HEx 1.0 . 2.98 1226 936 A 54 LYS HEy A 54 LYS HDx 1.0 . 2.98 1227 936 A 54 LYS HDy A 54 LYS HEy 1.0 . 2.98 1228 937 A 55 LEU H A 54 LYS HEx 1.0 . 5.50 1229 937 A 55 LEU H A 54 LYS HEy 1.0 . 5.50 1230 938 A 54 LYS HEx A 54 LYS HGx 1.0 . 3.75 1231 938 A 54 LYS HEy A 54 LYS HGx 1.0 . 3.75 1232 938 A 54 LYS HGy A 54 LYS HEx 1.0 . 3.75 1233 938 A 54 LYS HEy A 54 LYS HGy 1.0 . 3.75 1234 939 A 55 LEU H A 54 LYS HGx 1.0 . 5.50 1235 939 A 55 LEU H A 54 LYS HGy 1.0 . 5.50 1236 940 A 55 LEU H A 55 LEU HBx 1.0 . 3.45 1237 941 A 55 LEU H A 55 LEU HBy 1.0 . 3.41 1238 942 A 55 LEU H A 55 LEU HG 1.0 . 3.40 1239 943 A 55 LEU HDx% A 55 LEU H 1.0 . 4.49 1240 944 A 55 LEU HDy% A 55 LEU H 1.0 . 4.17 1241 945 A 55 LEU H A 56 LYS H 1.0 . 5.17 1242 946 A 55 LEU H A 58 ILE H 1.0 . 5.50 1243 947 A 55 LEU H A 58 ILE HG1y 1.0 . 4.33 1244 948 A 58 ILE HG1x A 55 LEU H 1.0 . 5.40 1245 949 A 58 ILE HD1% A 55 LEU H 1.0 . 4.94 1246 950 A 55 LEU H A 58 ILE HG2% 1.0 . 5.02 1247 951 A 55 LEU HDx% A 55 LEU HA 1.0 . 4.96 1248 952 A 55 LEU HDy% A 55 LEU HA 1.0 . 3.43 1249 953 A 55 LEU HA A 56 LYS H 1.0 . 3.30 1250 954 A 55 LEU HA A 58 ILE HG1y 1.0 . 5.50 1251 955 A 55 LEU HBx A 56 LYS H 1.0 . 3.93 1252 956 A 55 LEU HBx A 57 TRP H 1.0 . 5.41 1253 957 A 57 TRP HD1 A 55 LEU HBx 1.0 . 5.26 1254 958 A 55 LEU HBx A 58 ILE H 1.0 . 4.65 1255 959 A 58 ILE HA A 55 LEU HBx 1.0 . 5.50 1256 960 A 55 LEU HBx A 58 ILE HB 1.0 . 5.50 1257 961 A 58 ILE HG1x A 55 LEU HBx 1.0 . 5.35 1258 962 A 58 ILE HD1% A 55 LEU HBx 1.0 . 4.84 1259 963 A 55 LEU HBx A 58 ILE HG2% 1.0 . 4.66 1260 964 A 55 LEU HDx% A 55 LEU HBy 1.0 . 3.91 1261 965 A 55 LEU HDy% A 55 LEU HBy 1.0 . 4.07 1262 966 A 55 LEU HBy A 56 LYS H 1.0 . 4.94 1263 967 A 55 LEU HBy A 57 TRP H 1.0 . 5.50 1264 968 A 57 TRP HD1 A 55 LEU HBy 1.0 . 4.74 1265 969 A 55 LEU HBy A 58 ILE H 1.0 . 5.11 1266 970 A 58 ILE HG1x A 55 LEU HBy 1.0 . 4.83 1267 971 A 58 ILE HD1% A 55 LEU HBy 1.0 . 5.17 1268 972 A 55 LEU HBy A 58 ILE HG2% 1.0 . 4.41 1269 973 A 55 LEU HDx% A 56 LYS H 1.0 . 5.50 1270 974 A 55 LEU HDx% A 57 TRP HD1 1.0 . 3.57 1271 975 A 55 LEU HDx% A 57 TRP HZ2 1.0 . 4.10 1272 976 A 55 LEU HDx% A 58 ILE H 1.0 . 5.50 1273 977 A 55 LEU HDx% A 58 ILE HG1x 1.0 . 4.85 1274 978 A 55 LEU HDx% A 58 ILE HD1% 1.0 . 4.45 1275 979 A 55 LEU HDy% A 56 LYS H 1.0 . 4.26 1276 980 A 55 LEU HDy% A 57 TRP H 1.0 . 5.50 1277 981 A 55 LEU HDy% A 57 TRP HD1 1.0 . 4.71 1278 982 A 55 LEU HDy% A 57 TRP HZ2 1.0 . 5.50 1279 983 A 55 LEU HDy% A 58 ILE H 1.0 . 5.50 1280 984 A 55 LEU HDy% A 58 ILE HG1x 1.0 . 5.21 1281 985 A 56 LYS H A 56 LYS HGy 1.0 . 5.13 1282 986 A 56 LYS H A 56 LYS HGx 1.0 . 5.13 1283 987 A 56 LYS H A 56 LYS HBx 1.0 . 3.35 1284 987 A 56 LYS H A 56 LYS HBy 1.0 . 3.35 1285 988 A 56 LYS H A 56 LYS HDx 1.0 . 5.46 1286 988 A 56 LYS H A 56 LYS HDy 1.0 . 5.46 1287 989 A 56 LYS H A 56 LYS HGy 1.0 . 4.42 1288 989 A 56 LYS H A 56 LYS HGx 1.0 . 4.42 1289 990 A 56 LYS H A 57 TRP H 1.0 . 4.74 1290 991 A 56 LYS H A 58 ILE H 1.0 . 5.50 1291 992 A 56 LYS H A 59 GLN H 1.0 . 5.50 1292 993 A 56 LYS HA A 56 LYS HDx 1.0 . 4.37 1293 993 A 56 LYS HDy A 56 LYS HA 1.0 . 4.37 1294 994 A 56 LYS HA A 56 LYS HEx 1.0 . 5.50 1295 994 A 56 LYS HA A 56 LYS HEy 1.0 . 5.50 1296 995 A 58 ILE H A 56 LYS HA 1.0 . 5.50 1297 996 A 59 GLN H A 56 LYS HA 1.0 . 4.85 1298 997 A 56 LYS HA A 59 GLN HGy 1.0 . 4.78 1299 998 A 56 LYS HDx A 56 LYS HGy 1.0 . 2.93 1300 998 A 56 LYS HDy A 56 LYS HGy 1.0 . 2.93 1301 999 A 56 LYS HDy A 56 LYS HGx 1.0 . 2.93 1302 999 A 56 LYS HGx A 56 LYS HDx 1.0 . 2.93 1303 1000 A 56 LYS HBx A 56 LYS HDx 1.0 . 3.26 1304 1000 A 56 LYS HBy A 56 LYS HDx 1.0 . 3.26 1305 1000 A 56 LYS HDy A 56 LYS HBx 1.0 . 3.26 1306 1000 A 56 LYS HBy A 56 LYS HDy 1.0 . 3.26 1307 1001 A 56 LYS HBx A 56 LYS HEx 1.0 . 4.64 1308 1001 A 56 LYS HBy A 56 LYS HEx 1.0 . 4.64 1309 1001 A 56 LYS HEy A 56 LYS HBx 1.0 . 4.64 1310 1001 A 56 LYS HBy A 56 LYS HEy 1.0 . 4.64 1311 1002 A 57 TRP H A 56 LYS HBx 1.0 . 4.30 1312 1002 A 57 TRP H A 56 LYS HBy 1.0 . 4.30 1313 1003 A 57 TRP HD1 A 56 LYS HBx 1.0 . 5.43 1314 1003 A 57 TRP HD1 A 56 LYS HBy 1.0 . 5.43 1315 1004 A 58 ILE H A 56 LYS HBx 1.0 . 5.50 1316 1004 A 58 ILE H A 56 LYS HBy 1.0 . 5.50 1317 1005 A 58 ILE H A 57 TRP H 1.0 . 4.81 1318 1006 A 57 TRP H A 59 GLN H 1.0 . 4.24 1319 1007 A 57 TRP HD1 A 57 TRP HA 1.0 . 5.16 1320 1008 A 59 GLN H A 57 TRP HA 1.0 . 5.11 1321 1009 A 57 TRP HA A 60 GLU H 1.0 . 4.84 1322 1010 A 57 TRP HA A 60 GLU HBy 1.0 . 4.85 1323 1011 A 57 TRP HA A 60 GLU HBx 1.0 . 4.85 1324 1012 A 57 TRP HA A 60 GLU HGy 1.0 . 5.50 1325 1013 A 57 TRP HA A 60 GLU HGx 1.0 . 5.50 1326 1014 A 57 TRP HA A 60 GLU HBy 1.0 . 4.23 1327 1014 A 57 TRP HA A 60 GLU HBx 1.0 . 4.23 1328 1015 A 57 TRP HA A 60 GLU HGx 1.0 . 4.84 1329 1015 A 57 TRP HA A 60 GLU HGy 1.0 . 4.84 1330 1016 A 57 TRP HA A 61 TYR H 1.0 . 5.31 1331 1017 A 57 TRP HBy A 58 ILE H 1.0 . 5.50 1332 1018 A 57 TRP HD1 A 57 TRP HBx 1.0 . 3.67 1333 1019 A 57 TRP HBx A 58 ILE H 1.0 . 5.50 1334 1020 A 57 TRP HE3 A 58 ILE HD1% 1.0 . 4.84 1335 1021 A 57 TRP HH2 A 58 ILE HD1% 1.0 . 4.88 1336 1022 A 57 TRP HZ2 A 58 ILE HD1% 1.0 . 5.50 1337 1023 A 57 TRP HZ3 A 58 ILE HA 1.0 . 4.93 1338 1024 A 57 TRP HZ3 A 58 ILE HD1% 1.0 . 5.45 1339 1025 A 57 TRP HZ3 A 61 TYR HBy 1.0 . 5.47 1340 1026 A 57 TRP HZ3 A 61 TYR HBx 1.0 . 5.32 1341 1027 A 61 TYR H A 57 TRP O 1.0 . 2.00 1342 1028 A 57 TRP O A 61 TYR N 1.0 . 3.00 1343 1029 A 58 ILE HB A 58 ILE H 1.0 . 4.13 1344 1030 A 58 ILE HG1y A 58 ILE H 1.0 . 4.19 1345 1031 A 58 ILE HG1x A 58 ILE H 1.0 . 4.60 1346 1032 A 58 ILE HD1% A 58 ILE H 1.0 . 5.15 1347 1033 A 58 ILE HG2% A 58 ILE H 1.0 . 4.42 1348 1034 A 58 ILE H A 59 GLN H 1.0 . 4.11 1349 1035 A 58 ILE H A 60 GLU H 1.0 . 5.22 1350 1036 A 58 ILE HA A 58 ILE HD1% 1.0 . 4.04 1351 1037 A 58 ILE HA A 60 GLU H 1.0 . 5.29 1352 1038 A 58 ILE HA A 61 TYR H 1.0 . 5.45 1353 1039 A 58 ILE HA A 61 TYR HBy 1.0 . 4.44 1354 1040 A 58 ILE HA A 61 TYR HBx 1.0 . 4.39 1355 1041 A 58 ILE HA A 61 TYR HD% 1.0 . 4.52 1356 1042 A 58 ILE HA A 62 LEU H 1.0 . 5.16 1357 1043 A 58 ILE HA A 62 LEU HDx% 1.0 . 5.50 1358 1044 A 58 ILE HB A 59 GLN H 1.0 . 4.99 1359 1045 A 62 LEU H A 58 ILE O 1.0 . 2.00 1360 1046 A 58 ILE O A 62 LEU N 1.0 . 3.00 1361 1047 A 58 ILE HD1% A 59 GLN H 1.0 . 5.50 1362 1048 A 58 ILE HD1% A 61 TYR HBy 1.0 . 5.35 1363 1049 A 58 ILE HD1% A 61 TYR HBx 1.0 . 5.12 1364 1050 A 61 TYR HD% A 58 ILE HD1% 1.0 . 4.54 1365 1051 A 58 ILE HD1% A 62 LEU H 1.0 . 5.50 1366 1052 A 58 ILE HG1x A 58 ILE HG2% 1.0 . 3.86 1367 1053 A 58 ILE HD1% A 58 ILE HG2% 1.0 . 3.43 1368 1054 A 58 ILE HG2% A 59 GLN H 1.0 . 4.48 1369 1055 A 58 ILE HG2% A 59 GLN HA 1.0 . 4.46 1370 1056 A 58 ILE HG2% A 59 GLN HE2y 1.0 . 5.50 1371 1057 A 58 ILE HG2% A 59 GLN HGy 1.0 . 5.38 1372 1058 A 58 ILE HG2% A 59 GLN HBx 1.0 . 5.50 1373 1058 A 58 ILE HG2% A 59 GLN HBy 1.0 . 5.50 1374 1059 A 58 ILE HG2% A 61 TYR HBy 1.0 . 5.50 1375 1060 A 58 ILE HG2% A 61 TYR HBx 1.0 . 5.44 1376 1061 A 61 TYR HD% A 58 ILE HG2% 1.0 . 4.30 1377 1062 A 61 TYR HE% A 58 ILE HG2% 1.0 . 5.50 1378 1063 A 58 ILE HG2% A 62 LEU H 1.0 . 5.35 1379 1064 A 58 ILE HG2% A 62 LEU HA 1.0 . 5.47 1380 1065 A 58 ILE HG2% A 62 LEU HG 1.0 . 4.21 1381 1066 A 58 ILE HG2% A 62 LEU HDy% 1.0 . 3.19 1382 1067 A 59 GLN H A 59 GLN HGy 1.0 . 4.31 1383 1068 A 59 GLN H A 59 GLN HGx 1.0 . 4.37 1384 1069 A 59 GLN H A 59 GLN HBx 1.0 . 3.84 1385 1069 A 59 GLN H A 59 GLN HBy 1.0 . 3.84 1386 1070 A 59 GLN H A 60 GLU H 1.0 . 3.81 1387 1071 A 59 GLN H A 61 TYR H 1.0 . 4.18 1388 1072 A 59 GLN HE2y A 59 GLN HA 1.0 . 5.50 1389 1073 A 59 GLN HE2x A 59 GLN HA 1.0 . 5.50 1390 1074 A 59 GLN HGy A 59 GLN HA 1.0 . 4.18 1391 1075 A 59 GLN HA A 59 GLN HGx 1.0 . 4.06 1392 1076 A 62 LEU H A 59 GLN HA 1.0 . 4.03 1393 1077 A 62 LEU HDx% A 59 GLN HA 1.0 . 3.80 1394 1078 A 59 GLN HA A 63 GLU H 1.0 . 5.10 1395 1079 A 59 GLN HE2y A 62 LEU HDx% 1.0 . 4.96 1396 1080 A 59 GLN HE2x A 62 LEU HDy% 1.0 . 5.06 1397 1081 A 63 GLU H A 59 GLN O 1.0 . 2.00 1398 1082 A 59 GLN O A 63 GLU N 1.0 . 3.00 1399 1083 A 59 GLN HE2y A 59 GLN HBx 1.0 . 4.74 1400 1083 A 59 GLN HE2y A 59 GLN HBy 1.0 . 4.74 1401 1084 A 60 GLU H A 59 GLN HBx 1.0 . 3.24 1402 1084 A 60 GLU H A 59 GLN HBy 1.0 . 3.24 1403 1085 A 62 LEU H A 59 GLN HBx 1.0 . 4.86 1404 1085 A 62 LEU H A 59 GLN HBy 1.0 . 4.86 1405 1086 A 62 LEU HDx% A 59 GLN HBx 1.0 . 5.10 1406 1086 A 62 LEU HDx% A 59 GLN HBy 1.0 . 5.10 1407 1087 A 60 GLU H A 60 GLU HBy 1.0 . 4.00 1408 1088 A 60 GLU H A 60 GLU HBx 1.0 . 4.00 1409 1089 A 60 GLU H A 60 GLU HGy 1.0 . 4.31 1410 1090 A 60 GLU H A 60 GLU HGx 1.0 . 4.31 1411 1091 A 60 GLU H A 60 GLU HBy 1.0 . 3.48 1412 1091 A 60 GLU H A 60 GLU HBx 1.0 . 3.48 1413 1092 A 60 GLU H A 60 GLU HGx 1.0 . 3.62 1414 1092 A 60 GLU H A 60 GLU HGy 1.0 . 3.62 1415 1093 A 60 GLU H A 61 TYR H 1.0 . 2.84 1416 1094 A 60 GLU H A 62 LEU H 1.0 . 5.44 1417 1095 A 60 GLU HA A 60 GLU HGx 1.0 . 3.73 1418 1095 A 60 GLU HGy A 60 GLU HA 1.0 . 3.73 1419 1096 A 63 GLU H A 60 GLU HA 1.0 . 4.33 1420 1097 A 60 GLU HA A 63 GLU HBy 1.0 . 4.13 1421 1097 A 60 GLU HA A 63 GLU HBx 1.0 . 4.13 1422 1098 A 60 GLU HA A 64 LYS H 1.0 . 5.50 1423 1099 A 64 LYS H A 60 GLU O 1.0 . 2.00 1424 1100 A 60 GLU O A 64 LYS N 1.0 . 3.00 1425 1101 A 61 TYR HD% A 61 TYR H 1.0 . 4.82 1426 1102 A 61 TYR H A 62 LEU H 1.0 . 4.25 1427 1103 A 61 TYR HD% A 61 TYR HA 1.0 . 3.81 1428 1104 A 61 TYR HE% A 61 TYR HA 1.0 . 5.50 1429 1105 A 64 LYS H A 61 TYR HA 1.0 . 5.31 1430 1106 A 61 TYR HA A 64 LYS HBx 1.0 . 4.33 1431 1106 A 61 TYR HA A 64 LYS HBy 1.0 . 4.33 1432 1107 A 61 TYR HBy A 62 LEU H 1.0 . 4.31 1433 1108 A 61 TYR HBx A 62 LEU H 1.0 . 4.07 1434 1109 A 61 TYR HBx A 62 LEU HG 1.0 . 5.50 1435 1110 A 61 TYR HBx A 62 LEU HDy% 1.0 . 5.14 1436 1111 A 61 TYR O A 65 ALA H 1.0 . 2.00 1437 1112 A 61 TYR O A 65 ALA N 1.0 . 3.00 1438 1113 A 61 TYR HD% A 62 LEU H 1.0 . 4.77 1439 1114 A 61 TYR HD% A 62 LEU HA 1.0 . 5.37 1440 1115 A 61 TYR HD% A 62 LEU HG 1.0 . 4.27 1441 1116 A 61 TYR HD% A 62 LEU HDx% 1.0 . 3.84 1442 1117 A 61 TYR HD% A 65 ALA HB% 1.0 . 4.75 1443 1118 A 61 TYR HE% A 62 LEU HA 1.0 . 5.50 1444 1119 A 61 TYR HE% A 62 LEU HDx% 1.0 . 3.75 1445 1120 A 61 TYR HE% A 65 ALA HB% 1.0 . 4.39 1446 1121 A 62 LEU H A 62 LEU HBy 1.0 . 3.30 1447 1122 A 62 LEU H A 62 LEU HBx 1.0 . 4.16 1448 1123 A 62 LEU H A 62 LEU HG 1.0 . 4.15 1449 1124 A 62 LEU H A 62 LEU HDx% 1.0 . 3.79 1450 1125 A 62 LEU H A 62 LEU HDy% 1.0 . 5.05 1451 1126 A 62 LEU H A 63 GLU H 1.0 . 3.75 1452 1127 A 62 LEU H A 65 ALA HB% 1.0 . 5.50 1453 1128 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.69 1454 1129 A 62 LEU HA A 65 ALA H 1.0 . 4.91 1455 1130 A 62 LEU HA A 65 ALA HB% 1.0 . 3.88 1456 1131 A 62 LEU HDx% A 62 LEU HBy 1.0 . 3.68 1457 1132 A 62 LEU HDy% A 62 LEU HBy 1.0 . 3.59 1458 1133 A 63 GLU H A 62 LEU HBy 1.0 . 3.75 1459 1134 A 62 LEU HDy% A 62 LEU HBx 1.0 . 3.48 1460 1135 A 63 GLU H A 62 LEU HBx 1.0 . 4.26 1461 1136 A 62 LEU HG A 63 GLU H 1.0 . 5.50 1462 1137 A 62 LEU O A 66 LEU H 1.0 . 2.00 1463 1138 A 62 LEU O A 66 LEU N 1.0 . 3.00 1464 1139 A 62 LEU HDx% A 63 GLU H 1.0 . 4.22 1465 1140 A 63 GLU H A 63 GLU HBy 1.0 . 3.96 1466 1141 A 63 GLU H A 63 GLU HBx 1.0 . 3.96 1467 1142 A 63 GLU H A 63 GLU HGy 1.0 . 4.48 1468 1143 A 63 GLU H A 63 GLU HGx 1.0 . 4.48 1469 1144 A 63 GLU H A 63 GLU HBy 1.0 . 3.21 1470 1144 A 63 GLU H A 63 GLU HBx 1.0 . 3.21 1471 1145 A 63 GLU H A 63 GLU HGx 1.0 . 3.77 1472 1145 A 63 GLU H A 63 GLU HGy 1.0 . 3.77 1473 1146 A 63 GLU H A 64 LYS H 1.0 . 3.89 1474 1147 A 63 GLU H A 65 ALA H 1.0 . 4.17 1475 1148 A 63 GLU HA A 66 LEU HBx 1.0 . 4.60 1476 1148 A 63 GLU HA A 66 LEU HBy 1.0 . 4.60 1477 1149 A 64 LYS H A 63 GLU HBy 1.0 . 4.86 1478 1150 A 63 GLU HBx A 64 LYS H 1.0 . 4.86 1479 1151 A 63 GLU O A 67 ASN H 1.0 . 2.00 1480 1152 A 63 GLU O A 67 ASN N 1.0 . 3.00 1481 1153 A 64 LYS H A 64 LYS HGx 1.0 . 5.16 1482 1154 A 64 LYS H A 64 LYS HGy 1.0 . 5.16 1483 1155 A 64 LYS H A 64 LYS HDx 1.0 . 5.50 1484 1155 A 64 LYS H A 64 LYS HDy 1.0 . 5.50 1485 1156 A 64 LYS H A 65 ALA H 1.0 . 4.20 1486 1157 A 64 LYS HA A 64 LYS HDx 1.0 . 4.07 1487 1157 A 64 LYS HDy A 64 LYS HA 1.0 . 4.07 1488 1158 A 64 LYS HA A 64 LYS HEx 1.0 . 5.50 1489 1158 A 64 LYS HA A 64 LYS HEy 1.0 . 5.50 1490 1159 A 64 LYS HA A 67 ASN HBy 1.0 . 5.50 1491 1160 A 64 LYS HA A 67 ASN HBx 1.0 . 5.50 1492 1161 A 64 LYS HGx A 64 LYS HDx 1.0 . 2.40 1493 1161 A 64 LYS HGx A 64 LYS HDy 1.0 . 2.40 1494 1162 A 64 LYS HGx A 64 LYS HEx 1.0 . 4.22 1495 1162 A 64 LYS HGx A 64 LYS HEy 1.0 . 4.22 1496 1163 A 65 ALA H A 64 LYS HGx 1.0 . 3.13 1497 1164 A 64 LYS HGy A 64 LYS HDx 1.0 . 2.40 1498 1164 A 64 LYS HGy A 64 LYS HDy 1.0 . 2.40 1499 1165 A 65 ALA H A 64 LYS HGy 1.0 . 3.30 1500 1166 A 64 LYS O A 68 LYS H 1.0 . 2.00 1501 1167 A 64 LYS O A 68 LYS N 1.0 . 3.00 1502 1168 A 64 LYS HBy A 64 LYS HDx 1.0 . 3.50 1503 1168 A 64 LYS HDy A 64 LYS HBx 1.0 . 3.50 1504 1168 A 64 LYS HBy A 64 LYS HDy 1.0 . 3.50 1505 1168 A 64 LYS HBx A 64 LYS HDx 1.0 . 3.50 1506 1169 A 64 LYS HBy A 64 LYS HEx 1.0 . 4.30 1507 1169 A 64 LYS HBx A 64 LYS HEx 1.0 . 4.30 1508 1169 A 64 LYS HEy A 64 LYS HBx 1.0 . 4.30 1509 1169 A 64 LYS HBy A 64 LYS HEy 1.0 . 4.30 1510 1170 A 65 ALA H A 64 LYS HBx 1.0 . 4.05 1511 1170 A 64 LYS HBy A 65 ALA H 1.0 . 4.05 1512 1171 A 65 ALA H A 65 ALA HB% 1.0 . 3.44 1513 1172 A 65 ALA H A 66 LEU H 1.0 . 3.71 1514 1173 A 65 ALA HB% A 66 LEU H 1.0 . 3.84 1515 1174 A 65 ALA HB% A 66 LEU HA 1.0 . 4.19 1516 1175 A 66 LEU H A 66 LEU HG 1.0 . 4.22 1517 1176 A 66 LEU H A 66 LEU HBx 1.0 . 3.43 1518 1176 A 66 LEU H A 66 LEU HBy 1.0 . 3.43 1519 1177 A 66 LEU H A 66 LEU HDx% 1.0 . 4.66 1520 1177 A 66 LEU H A 66 LEU HDy% 1.0 . 4.66 1521 1178 A 66 LEU H A 67 ASN H 1.0 . 4.59 1522 1179 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.37 1523 1179 A 66 LEU HA A 66 LEU HDy% 1.0 . 3.37 1524 1180 A 66 LEU HBy A 66 LEU HDy% 1.0 . 3.37 1525 1180 A 66 LEU HBy A 66 LEU HDx% 1.0 . 3.37 1526 1181 A 66 LEU HDy% A 66 LEU HBx 1.0 . 3.37 1527 1181 A 66 LEU HBx A 66 LEU HDx% 1.0 . 3.37 1528 1182 A 67 ASN H A 68 LYS H 1.0 . 4.50 1529 1183 A 68 LYS H A 67 ASN HBy 1.0 . 4.32 1530 1184 A 68 LYS H A 67 ASN HBx 1.0 . 4.32 1531 1185 A 68 LYS H A 67 ASN HBx 1.0 . 3.80 1532 1185 A 68 LYS H A 67 ASN HBy 1.0 . 3.80 1533 1186 A 68 LYS H A 68 LYS HBy 1.0 . 3.88 1534 1187 A 68 LYS H A 68 LYS HBx 1.0 . 3.88 1535 1188 A 68 LYS H A 68 LYS HBx 1.0 . 3.36 1536 1188 A 68 LYS H A 68 LYS HBy 1.0 . 3.36 1537 1189 A 68 LYS H A 68 LYS HDx 1.0 . 4.98 1538 1189 A 68 LYS H A 68 LYS HDy 1.0 . 4.98 1539 1190 A 68 LYS H A 68 LYS HGx 1.0 . 4.92 1540 1190 A 68 LYS H A 68 LYS HGy 1.0 . 4.92 1541 1191 A 68 LYS HA A 68 LYS HDx 1.0 . 4.07 1542 1191 A 68 LYS HDy A 68 LYS HA 1.0 . 4.07 1543 1192 A 68 LYS HA A 68 LYS HGx 1.0 . 4.09 1544 1192 A 68 LYS HGy A 68 LYS HA 1.0 . 4.09 1545 1193 A 68 LYS HBy A 68 LYS HDy 1.0 . 2.73 1546 1193 A 68 LYS HBy A 68 LYS HDx 1.0 . 2.73 1547 1194 A 68 LYS HDy A 68 LYS HBx 1.0 . 2.73 1548 1194 A 68 LYS HBx A 68 LYS HDx 1.0 . 2.73 1549 1195 A 68 LYS HBy A 68 LYS HDx 1.0 . 2.25 1550 1195 A 68 LYS HBx A 68 LYS HDx 1.0 . 2.25 1551 1195 A 68 LYS HDy A 68 LYS HBx 1.0 . 2.25 1552 1195 A 68 LYS HBy A 68 LYS HDy 1.0 . 2.25 1553 1196 A 68 LYS HDx A 68 LYS HGx 1.0 . 2.45 1554 1196 A 68 LYS HDy A 68 LYS HGx 1.0 . 2.45 1555 1196 A 68 LYS HGy A 68 LYS HDx 1.0 . 2.45 1556 1196 A 68 LYS HDy A 68 LYS HGy 1.0 . 2.45 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 -114.0 PHI 2 2 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PRO N 1.0 138.0 168.0 PSI 3 3 A 10 PRO C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -162.0 -118.0 PHI 4 4 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 148.0 170.0 PSI 5 5 A 12 ARG C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -146.4 -98.6 PHI 6 6 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 PHE N 1.0 126.1 177.1 PSI 7 7 A 13 PHE C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -133.9 -89.0 PHI 8 8 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 GLU N 1.0 128.1 149.7 PSI 9 9 A 14 PHE C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -106.1 -69.0 PHI 10 10 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 SER N 1.0 122.0 147.6 PSI 11 11 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -113.2 -66.4 PHI 12 12 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 93.7 143.6 PSI 13 13 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -69.5 -49.5 PHI 14 14 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -40.9 -11.5 PSI 15 15 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -82.2 -52.9 PHI 16 16 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ASN N 1.0 -44.8 -8.6 PSI 17 17 A 24 LYS C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -161.8 -104.7 PHI 18 18 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 LEU N 1.0 116.0 157.4 PSI 19 19 A 25 HIS C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -137.6 -97.1 PHI 20 20 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LYS N 1.0 130.2 153.2 PSI 21 21 A 26 LEU C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -149.2 -123.9 PHI 22 22 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ILE N 1.0 125.4 151.5 PSI 23 23 A 27 LYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -127.8 -88.2 PHI 24 24 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 115.6 135.6 PSI 25 25 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -113.9 -93.9 PHI 26 26 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 ASN N 1.0 108.4 136.7 PSI 27 27 A 29 LEU C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -129.0 -88.0 PHI 28 28 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 THR N 1.0 112.6 132.6 PSI 29 29 A 30 ASN C A 31 THR N A 31 THR CA A 31 THR C 1.0 -123.0 -79.4 PHI 30 30 A 31 THR N A 31 THR CA A 31 THR C A 32 PRO N 1.0 114.2 159.3 PSI 31 31 A 33 ASN C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -138.0 -114.0 PHI 32 32 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 ALA N 1.0 153.0 173.0 PSI 33 33 A 36 LEU C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -143.4 -87.4 PHI 34 34 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ILE N 1.0 126.5 149.2 PSI 35 35 A 37 GLN C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -121.2 -100.9 PHI 36 36 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 VAL N 1.0 121.1 141.1 PSI 37 37 A 38 ILE C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -128.0 -105.6 PHI 38 38 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ALA N 1.0 120.4 150.1 PSI 39 39 A 39 VAL C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -143.5 -115.5 PHI 40 40 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 ARG N 1.0 129.3 153.0 PSI 41 41 A 40 ALA C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -140.1 -103.0 PHI 42 42 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 LEU N 1.0 115.1 147.6 PSI 43 43 A 43 LYS C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 -78.7 -58.7 PHI 44 44 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 ASN N 1.0 -36.4 -16.4 PSI 45 45 A 44 ASN C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -94.5 -70.6 PHI 46 46 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 ASN N 1.0 -46.5 -10.6 PSI 47 47 A 46 ASN C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -102.1 -60.9 PHI 48 48 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 GLN N 1.0 115.3 156.5 PSI 49 49 A 47 ARG C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -110.6 -79.8 PHI 50 50 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 VAL N 1.0 118.8 155.9 PSI 51 51 A 50 CYS C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -139.6 -102.8 PHI 52 52 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ASP N 1.0 122.7 142.7 PSI 53 53 A 51 ILE C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -132.8 -66.0 PHI 54 54 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 98.2 167.1 PSI 55 55 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -85.1 -57.7 PHI 56 56 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 ILE N 1.0 -38.9 2.3 PSI 57 57 A 57 TRP C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -77.6 -57.6 PHI 58 58 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 GLN N 1.0 -50.8 -30.8 PSI 59 59 A 58 ILE C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -71.6 -51.6 PHI 60 60 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -53.3 -33.3 PSI 61 61 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -76.8 -56.8 PHI 62 62 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 TYR N 1.0 -49.8 -29.8 PSI 63 63 A 60 GLU C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -73.5 -53.5 PHI 64 64 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 LEU N 1.0 -54.1 -34.1 PSI 65 65 A 61 TYR C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -72.6 -52.6 PHI 66 66 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 GLU N 1.0 -48.2 -28.2 PSI 67 67 A 62 LEU C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -75.5 -55.5 PHI 68 68 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LYS N 1.0 -49.4 -29.4 PSI 69 69 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -76.7 -56.7 PHI 70 70 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 LEU N 1.0 -44.5 -24.5 PSI 71 71 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -91.4 -63.3 PHI 72 72 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_