data_nef_c26022_2nch save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2NCH stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 VAL middle . . 3 A 3 LYS middle . . 4 A 4 ASP middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 SER middle . . 8 A 8 LYS middle . . 9 A 9 THR middle . . 10 A 10 LEU middle . . 11 A 11 PHE middle . . 12 A 12 GLU middle . . 13 A 13 VAL middle . . 14 A 14 GLU middle . . 15 A 15 GLY middle . false 16 A 16 ALA middle . . 17 A 17 VAL middle . . 18 A 18 THR middle . . 19 A 19 ALA middle . . 20 A 20 LEU middle . . 21 A 21 LEU middle . . 22 A 22 PRO middle . false 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 GLU middle . . 26 A 26 PHE middle . . 27 A 27 ARG middle . . 28 A 28 VAL middle . . 29 A 29 LYS middle . . 30 A 30 LEU middle . . 31 A 31 ASP middle . . 32 A 32 ASN middle . . 33 A 33 GLU middle . . 34 A 34 HIS middle . . 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 ILE middle . . 38 A 38 CYS middle . . 39 A 39 HIS middle . . 40 A 40 VAL middle . . 41 A 41 SER middle . . 42 A 42 GLY middle . false 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 ARG middle . . 46 A 46 ARG middle . . 47 A 47 SER middle . . 48 A 48 LYS middle . . 49 A 49 ILE middle . . 50 A 50 ARG middle . . 51 A 51 ILE middle . . 52 A 52 ILE middle . . 53 A 53 ILE middle . . 54 A 54 GLY middle . false 55 A 55 ASP middle . . 56 A 56 ARG middle . . 57 A 57 VAL middle . . 58 A 58 LEU middle . . 59 A 59 VAL middle . . 60 A 60 GLU middle . . 61 A 61 MET middle . . 62 A 62 SER middle . . 63 A 63 ILE middle . . 64 A 64 TYR middle . . 65 A 65 ASP middle . . 66 A 66 ARG middle . . 67 A 67 ASN middle . . 68 A 68 ALA middle . . 69 A 69 LYS middle . . 70 A 70 LYS middle . . 71 A 71 GLY middle . false 72 A 72 ARG middle . . 73 A 73 ILE middle . . 74 A 74 ILE middle . . 75 A 75 ARG middle . . 76 A 76 ARG middle . . 77 A 77 LEU middle . . 78 A 78 LYS middle . . 79 A 79 GLY middle . false 80 A 80 THR middle . . 81 A 81 SER middle . . 82 A 82 ASP middle . . 83 A 83 ARG middle . . 84 A 84 THR middle . . 85 A 85 ILE middle . . 86 A 86 SER middle . . 87 A 87 LYS end . . stop_ save_ save_Chemical_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Chemical_shifts loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.346 . A 1 MET HA H 1 4.465 . A 1 MET HBx H 1 2.010 . A 1 MET HBy H 1 2.010 . A 1 MET HGx H 1 2.534 . A 1 MET HGy H 1 2.534 . A 1 MET C C 13 175.921 . A 1 MET CA C 13 55.535 . A 1 MET CB C 13 32.035 . A 1 MET CG C 13 29.116 . A 1 MET N N 15 122.118 . A 2 VAL H H 1 8.154 . A 2 VAL HA H 1 4.091 . A 2 VAL HB H 1 2.034 . A 2 VAL HGx% H 1 0.905 . A 2 VAL HGy% H 1 0.905 . A 2 VAL C C 13 175.921 . A 2 VAL CA C 13 62.057 . A 2 VAL CB C 13 32.848 . A 2 VAL CGx C 13 20.793 . A 2 VAL CGy C 13 20.793 . A 2 VAL N N 15 122.187 . A 3 LYS H H 1 8.396 . A 3 LYS HA H 1 4.289 . A 3 LYS HBx H 1 2.240 . A 3 LYS HBy H 1 2.240 . A 3 LYS HDx H 1 1.732 . A 3 LYS HDy H 1 1.732 . A 3 LYS HEx H 1 2.963 . A 3 LYS HEy H 1 2.963 . A 3 LYS HGx H 1 1.374 . A 3 LYS HGy H 1 1.374 . A 3 LYS C C 13 176.155 . A 3 LYS CA C 13 56.323 . A 3 LYS CB C 13 33.320 . A 3 LYS CD C 13 30.211 . A 3 LYS CE C 13 42.125 . A 3 LYS CG C 13 24.627 . A 3 LYS N N 15 125.437 . A 4 ASP H H 1 8.325 . A 4 ASP HA H 1 4.289 . A 4 ASP HBy H 1 2.264 . A 4 ASP HBx H 1 1.930 . A 4 ASP C C 13 176.319 . A 4 ASP CA C 13 54.029 . A 4 ASP CB C 13 41.280 . A 4 ASP N N 15 121.937 . A 5 GLU H H 1 8.464 . A 5 GLU HA H 1 4.250 . A 5 GLU HBx H 1 1.945 . A 5 GLU HBy H 1 1.946 . A 5 GLU HGx H 1 2.248 . A 5 GLU HGy H 1 2.248 . A 5 GLU C C 13 177.045 . A 5 GLU CA C 13 56.930 . A 5 GLU CB C 13 30.554 . A 5 GLU CG C 13 36.166 . A 5 GLU N N 15 122.369 . A 6 LYS H H 1 8.390 . A 6 LYS HA H 1 4.282 . A 6 LYS HBx H 1 1.906 . A 6 LYS HBy H 1 1.906 . A 6 LYS HDx H 1 1.671 . A 6 LYS HDy H 1 1.671 . A 6 LYS HEx H 1 2.985 . A 6 LYS HEy H 1 2.985 . A 6 LYS HGx H 1 1.450 . A 6 LYS HGy H 1 1.450 . A 6 LYS C C 13 177.185 . A 6 LYS CA C 13 56.930 . A 6 LYS CB C 13 32.713 . A 6 LYS CD C 13 29.050 . A 6 LYS CE C 13 42.800 . A 6 LYS CG C 13 24.780 . A 6 LYS N N 15 121.437 . A 7 SER H H 1 8.205 . A 7 SER HA H 1 4.396 . A 7 SER HBx H 1 3.888 . A 7 SER HBy H 1 3.888 . A 7 SER C C 13 174.609 . A 7 SER CA C 13 58.684 . A 7 SER CB C 13 63.608 . A 7 SER N N 15 115.822 . A 8 LYS H H 1 8.201 . A 8 LYS HA H 1 4.407 . A 8 LYS HBx H 1 1.919 . A 8 LYS HBy H 1 1.919 . A 8 LYS HDx H 1 1.671 . A 8 LYS HDy H 1 1.671 . A 8 LYS HEx H 1 2.973 . A 8 LYS HEy H 1 2.973 . A 8 LYS HGx H 1 1.450 . A 8 LYS HGy H 1 1.450 . A 8 LYS C C 13 176.694 . A 8 LYS CA C 13 56.390 . A 8 LYS CB C 13 33.185 . A 8 LYS CD C 13 29.123 . A 8 LYS CE C 13 42.193 . A 8 LYS CG C 13 24.788 . A 8 LYS N N 15 122.643 . A 9 THR H H 1 8.117 . A 9 THR HA H 1 4.341 . A 9 THR HB H 1 4.237 . A 9 THR HG2% H 1 1.134 . A 9 THR C C 13 173.438 . A 9 THR CA C 13 62.529 . A 9 THR CB C 13 69.342 . A 9 THR CG2 C 13 22.079 . A 9 THR N N 15 113.900 . A 10 LEU H H 1 7.786 . A 10 LEU HA H 1 4.858 . A 10 LEU HBy H 1 1.585 . A 10 LEU HBx H 1 1.307 . A 10 LEU HDx% H 1 0.760 . A 10 LEU HDy% H 1 0.760 . A 10 LEU HG H 1 1.567 . A 10 LEU C C 13 175.804 . A 10 LEU CA C 13 53.759 . A 10 LEU CB C 13 44.653 . A 10 LEU CDy C 13 25.301 . A 10 LEU CDx C 13 23.637 . A 10 LEU CG C 13 26.629 . A 10 LEU N N 15 124.082 . A 11 PHE H H 1 8.889 . A 11 PHE HA H 1 4.862 . A 11 PHE HBy H 1 3.026 . A 11 PHE HBx H 1 2.964 . A 11 PHE HDy H 1 7.122 . A 11 PHE HDx H 1 7.095 . A 11 PHE HEx H 1 7.125 . A 11 PHE HEy H 1 7.125 . A 11 PHE C C 13 173.578 . A 11 PHE CA C 13 56.120 . A 11 PHE CB C 13 41.212 . A 11 PHE N N 15 120.942 . A 12 GLU H H 1 8.285 . A 12 GLU HA H 1 5.539 . A 12 GLU HBy H 1 1.880 . A 12 GLU HBx H 1 1.739 . A 12 GLU HGx H 1 2.257 . A 12 GLU HGy H 1 2.257 . A 12 GLU C C 13 176.295 . A 12 GLU CA C 13 54.501 . A 12 GLU CB C 13 31.768 . A 12 GLU CG C 13 36.233 . A 12 GLU N N 15 119.958 . A 13 VAL H H 1 9.192 . A 13 VAL HA H 1 4.570 . A 13 VAL HB H 1 2.042 . A 13 VAL HGx% H 1 0.942 . A 13 VAL HGy% H 1 0.864 . A 13 VAL C C 13 173.415 . A 13 VAL CA C 13 59.696 . A 13 VAL CB C 13 36.018 . A 13 VAL CGy C 13 22.147 . A 13 VAL CGx C 13 20.725 . A 13 VAL N N 15 120.742 . A 14 GLU H H 1 8.492 . A 14 GLU HA H 1 5.226 . A 14 GLU HBx H 1 1.880 . A 14 GLU HBy H 1 1.880 . A 14 GLU HGx H 1 2.270 . A 14 GLU HGy H 1 2.270 . A 14 GLU C C 13 176.295 . A 14 GLU CA C 13 55.243 . A 14 GLU CB C 13 32.173 . A 14 GLU CG C 13 37.182 . A 14 GLU N N 15 122.848 . A 15 GLY H H 1 8.454 . A 15 GLY HAy H 1 4.451 . A 15 GLY HAx H 1 3.572 . A 15 GLY C C 13 170.393 . A 15 GLY CA C 13 46.002 . A 15 GLY N N 15 105.005 . A 16 ALA H H 1 8.206 . A 16 ALA HA H 1 5.526 . A 16 ALA HB% H 1 1.268 . A 16 ALA C C 13 176.834 . A 16 ALA CA C 13 49.644 . A 16 ALA CB C 13 22.054 . A 16 ALA N N 15 120.909 . A 17 VAL H H 1 8.868 . A 17 VAL HA H 1 4.380 . A 17 VAL HB H 1 2.257 . A 17 VAL HGx% H 1 0.949 . A 17 VAL HGy% H 1 0.747 . A 17 VAL C C 13 178.099 . A 17 VAL CA C 13 63.608 . A 17 VAL CB C 13 32.105 . A 17 VAL CGx C 13 22.350 . A 17 VAL CGy C 13 22.350 . A 17 VAL N N 15 122.567 . A 18 THR H H 1 9.545 . A 18 THR HA H 1 4.601 . A 18 THR HB H 1 4.341 . A 18 THR HG2% H 1 1.190 . A 18 THR C C 13 175.312 . A 18 THR CA C 13 61.517 . A 18 THR CB C 13 69.814 . A 18 THR CG2 C 13 23.366 . A 18 THR N N 15 120.937 . A 19 ALA H H 1 7.716 . A 19 ALA HA H 1 4.458 . A 19 ALA HB% H 1 1.370 . A 19 ALA C C 13 174.703 . A 19 ALA CA C 13 53.017 . A 19 ALA CB C 13 22.054 . A 19 ALA N N 15 121.258 . A 20 LEU H H 1 8.711 . A 20 LEU HA H 1 4.393 . A 20 LEU HBx H 1 1.658 . A 20 LEU HBy H 1 1.658 . A 20 LEU HDx% H 1 0.962 . A 20 LEU HDy% H 1 0.962 . A 20 LEU HG H 1 1.658 . A 20 LEU C C 13 175.499 . A 20 LEU CA C 13 54.839 . A 20 LEU CB C 13 41.212 . A 20 LEU CDy C 13 24.517 . A 20 LEU CDx C 13 22.079 . A 20 LEU CG C 13 28.513 . A 20 LEU N N 15 123.420 . A 21 LEU H H 1 7.773 . A 21 LEU HA H 1 4.714 . A 21 LEU HBy H 1 1.575 . A 21 LEU HBx H 1 1.265 . A 21 LEU HG H 1 1.265 . A 21 LEU C C 13 174.328 . A 21 LEU CA C 13 52.680 . A 21 LEU CB C 13 41.684 . A 21 LEU N N 15 124.718 . A 22 PRO HA H 1 4.380 . A 22 PRO HBx H 1 2.375 . A 22 PRO HBy H 1 2.375 . A 22 PRO HDx H 1 1.515 . A 22 PRO HDy H 1 1.515 . A 22 PRO HGx H 1 1.932 . A 22 PRO HGy H 1 1.932 . A 22 PRO C C 13 175.616 . A 22 PRO CA C 13 62.529 . A 22 PRO CB C 13 32.240 . A 22 PRO CD C 13 42.176 . A 22 PRO CG C 13 27.700 . A 23 ALA H H 1 8.675 . A 23 ALA HA H 1 4.302 . A 23 ALA HB% H 1 1.463 . A 23 ALA C C 13 176.178 . A 23 ALA CA C 13 52.882 . A 23 ALA CB C 13 17.336 . A 23 ALA N N 15 120.693 . A 24 ALA H H 1 8.381 . A 24 ALA HA H 1 3.820 . A 24 ALA HB% H 1 1.449 . A 24 ALA C C 13 175.546 . A 24 ALA CA C 13 52.613 . A 24 ALA CB C 13 16.590 . A 24 ALA N N 15 115.540 . A 25 GLU H H 1 6.378 . A 25 GLU HA H 1 5.148 . A 25 GLU HBx H 1 1.854 . A 25 GLU HBy H 1 1.854 . A 25 GLU HGx H 1 2.427 . A 25 GLU HGy H 1 2.427 . A 25 GLU C C 13 175.757 . A 25 GLU CA C 13 54.911 . A 25 GLU CB C 13 32.645 . A 25 GLU CG C 13 37.791 . A 25 GLU N N 15 114.082 . A 26 PHE H H 1 8.950 . A 26 PHE HA H 1 4.979 . A 26 PHE HBx H 1 2.388 . A 26 PHE HBy H 1 2.388 . A 26 PHE HDx H 1 7.013 . A 26 PHE HDy H 1 7.027 . A 26 PHE HEx H 1 7.193 . A 26 PHE HEy H 1 7.193 . A 26 PHE C C 13 174.960 . A 26 PHE CA C 13 56.862 . A 26 PHE CB C 13 43.371 . A 26 PHE N N 15 117.365 . A 27 ARG H H 1 8.799 . A 27 ARG HA H 1 4.992 . A 27 ARG HBx H 1 1.910 . A 27 ARG HBy H 1 1.910 . A 27 ARG HDx H 1 3.182 . A 27 ARG HDy H 1 3.182 . A 27 ARG HGx H 1 1.462 . A 27 ARG HGy H 1 1.462 . A 27 ARG C C 13 175.148 . A 27 ARG CA C 13 56.323 . A 27 ARG CB C 13 32.240 . A 27 ARG CD C 13 43.141 . A 27 ARG CG C 13 28.242 . A 27 ARG N N 15 125.082 . A 28 VAL H H 1 9.124 . A 28 VAL HA H 1 4.757 . A 28 VAL HB H 1 1.749 . A 28 VAL HGx% H 1 0.672 . A 28 VAL HGy% H 1 0.460 . A 28 VAL C C 13 173.602 . A 28 VAL CA C 13 60.303 . A 28 VAL CB C 13 35.681 . A 28 VAL CGy C 13 22.621 . A 28 VAL CGx C 13 20.928 . A 28 VAL N N 15 127.456 . A 29 LYS H H 1 9.268 . A 29 LYS HA H 1 4.354 . A 29 LYS HBx H 1 1.763 . A 29 LYS HBy H 1 1.763 . A 29 LYS HDy H 1 1.710 . A 29 LYS HDx H 1 1.671 . A 29 LYS HEx H 1 3.000 . A 29 LYS HEy H 1 3.000 . A 29 LYS C C 13 176.740 . A 29 LYS CA C 13 55.041 . A 29 LYS CB C 13 34.062 . A 29 LYS CD C 13 29.393 . A 29 LYS CG C 13 24.653 . A 29 LYS N N 15 128.096 . A 30 LEU H H 1 9.000 . A 30 LEU HA H 1 4.653 . A 30 LEU HBx H 1 2.270 . A 30 LEU HBy H 1 2.270 . A 30 LEU HDx% H 1 0.553 . A 30 LEU HDy% H 1 0.553 . A 30 LEU HG H 1 1.476 . A 30 LEU C C 13 178.193 . A 30 LEU CA C 13 54.771 . A 30 LEU CB C 13 42.224 . A 30 LEU CDx C 13 21.944 . A 30 LEU CDy C 13 21.944 . A 30 LEU CG C 13 25.536 . A 30 LEU N N 15 129.600 . A 31 ASP H H 1 8.698 . A 31 ASP HA H 1 4.458 . A 31 ASP HBy H 1 2.817 . A 31 ASP HBx H 1 2.661 . A 31 ASP C C 13 176.155 . A 31 ASP CA C 13 55.918 . A 31 ASP CB C 13 39.593 . A 31 ASP N N 15 120.478 . A 32 ASN H H 1 7.680 . A 32 ASN HA H 1 4.588 . A 32 ASN HBy H 1 3.130 . A 32 ASN HBx H 1 2.739 . A 32 ASN C C 13 175.335 . A 32 ASN CA C 13 53.152 . A 32 ASN CB C 13 37.367 . A 32 ASN N N 15 115.450 . A 33 GLU H H 1 8.097 . A 33 GLU HA H 1 3.898 . A 33 GLU HBx H 1 2.160 . A 33 GLU HBy H 1 2.160 . A 33 GLU HGy H 1 2.244 . A 33 GLU HGx H 1 1.971 . A 33 GLU C C 13 175.733 . A 33 GLU CA C 13 58.144 . A 33 GLU CB C 13 28.242 . A 33 GLU CG C 13 36.629 . A 33 GLU N N 15 111.790 . A 34 HIS H H 1 7.890 . A 34 HIS HA H 1 4.201 . A 34 HIS HBy H 1 2.147 . A 34 HIS HBx H 1 1.857 . A 34 HIS C C 13 173.789 . A 34 HIS CA C 13 56.053 . A 34 HIS CB C 13 30.487 . A 34 HIS N N 15 119.193 . A 35 GLU HA H 1 5.400 . A 35 GLU HBx H 1 1.915 . A 35 GLU HBy H 1 1.915 . A 35 GLU HGx H 1 2.243 . A 35 GLU HGy H 1 2.243 . A 35 GLU C C 13 175.944 . A 35 GLU CA C 13 55.109 . A 35 GLU CB C 13 32.308 . A 35 GLU CG C 13 37.696 . A 36 ILE H H 1 9.066 . A 36 ILE HA H 1 4.686 . A 36 ILE HB H 1 1.867 . A 36 ILE HD1% H 1 0.650 . A 36 ILE HG1x H 1 1.454 . A 36 ILE HG1y H 1 1.454 . A 36 ILE HG2% H 1 0.937 . A 36 ILE C C 13 173.790 . A 36 ILE CA C 13 59.156 . A 36 ILE CB C 13 42.696 . A 36 ILE CD1 C 13 15.611 . A 36 ILE CG1 C 13 26.146 . A 36 ILE CG2 C 13 17.874 . A 36 ILE N N 15 119.077 . A 37 ILE H H 1 8.261 . A 37 ILE HA H 1 4.778 . A 37 ILE HB H 1 1.940 . A 37 ILE HD1% H 1 0.878 . A 37 ILE HG1y H 1 1.606 . A 37 ILE HG1x H 1 1.212 . A 37 ILE HG2% H 1 0.832 . A 37 ILE C C 13 177.057 . A 37 ILE CA C 13 59.723 . A 37 ILE CB C 13 37.949 . A 37 ILE CG1 C 13 27.567 . A 37 ILE CG2 C 13 17.879 . A 37 ILE N N 15 122.787 . A 38 CYS H H 1 9.512 . A 38 CYS HA H 1 5.708 . A 38 CYS HBy H 1 2.779 . A 38 CYS HBx H 1 2.542 . A 38 CYS C C 13 174.258 . A 38 CYS CA C 13 56.930 . A 38 CYS CB C 13 33.252 . A 38 CYS N N 15 122.357 . A 39 HIS H H 1 7.597 . A 39 HIS HA H 1 5.526 . A 39 HIS HBy H 1 3.533 . A 39 HIS HBx H 1 3.416 . A 39 HIS HD1 H 1 10.280 . A 39 HIS C C 13 174.516 . A 39 HIS CA C 13 54.097 . A 39 HIS CB C 13 31.701 . A 39 HIS N N 15 117.101 . A 40 VAL H H 1 9.426 . A 40 VAL HA H 1 4.614 . A 40 VAL HB H 1 2.068 . A 40 VAL HGx% H 1 0.942 . A 40 VAL HGy% H 1 0.916 . A 40 VAL C C 13 175.804 . A 40 VAL CA C 13 61.382 . A 40 VAL CB C 13 33.396 . A 40 VAL CGy C 13 22.418 . A 40 VAL CGx C 13 20.657 . A 40 VAL N N 15 117.923 . A 41 SER H H 1 8.341 . A 41 SER HA H 1 4.550 . A 41 SER HBx H 1 3.859 . A 41 SER HBy H 1 3.859 . A 41 SER C C 13 174.656 . A 41 SER CA C 13 58.126 . A 41 SER CB C 13 63.470 . A 41 SER N N 15 119.242 . A 42 GLY H H 1 8.380 . A 42 GLY HAy H 1 4.769 . A 42 GLY HAx H 1 3.911 . A 42 GLY C C 13 173.829 . A 42 GLY CA C 13 45.257 . A 42 GLY N N 15 110.569 . A 43 LYS HA H 1 3.977 . A 43 LYS HBx H 1 1.857 . A 43 LYS HBy H 1 1.857 . A 43 LYS HDx H 1 1.684 . A 43 LYS HDy H 1 1.684 . A 43 LYS HEx H 1 2.987 . A 43 LYS HEy H 1 2.987 . A 43 LYS HGx H 1 0.864 . A 43 LYS HGy H 1 0.864 . A 43 LYS C C 13 179.363 . A 43 LYS CA C 13 59.628 . A 43 LYS CB C 13 32.510 . A 43 LYS CD C 13 29.326 . A 43 LYS CE C 13 42.058 . A 43 LYS CG C 13 25.262 . A 44 VAL H H 1 7.571 . A 44 VAL HA H 1 3.661 . A 44 VAL HB H 1 2.094 . A 44 VAL HGx% H 1 0.773 . A 44 VAL HGy% H 1 0.708 . A 44 VAL C C 13 179.785 . A 44 VAL CA C 13 65.425 . A 44 VAL CB C 13 31.500 . A 44 VAL CGy C 13 23.095 . A 44 VAL CGx C 13 21.605 . A 44 VAL N N 15 120.404 . A 45 ARG H H 1 8.608 . A 45 ARG HA H 1 4.054 . A 45 ARG HBx H 1 1.963 . A 45 ARG HBy H 1 1.963 . A 45 ARG HDx H 1 3.293 . A 45 ARG HDy H 1 3.293 . A 45 ARG HGx H 1 1.633 . A 45 ARG HGy H 1 1.633 . A 45 ARG C C 13 179.504 . A 45 ARG CA C 13 59.669 . A 45 ARG CB C 13 30.417 . A 45 ARG CD C 13 43.548 . A 45 ARG CG C 13 27.497 . A 45 ARG N N 15 123.687 . A 46 ARG H H 1 8.474 . A 46 ARG HA H 1 4.148 . A 46 ARG HBx H 1 1.884 . A 46 ARG HBy H 1 1.884 . A 46 ARG HDx H 1 3.299 . A 46 ARG HDy H 1 3.299 . A 46 ARG HGx H 1 1.658 . A 46 ARG HGy H 1 1.658 . A 46 ARG C C 13 177.396 . A 46 ARG CA C 13 58.481 . A 46 ARG CB C 13 30.554 . A 46 ARG CD C 13 43.277 . A 46 ARG CG C 13 28.174 . A 46 ARG N N 15 118.506 . A 47 SER H H 1 7.645 . A 47 SER HA H 1 4.393 . A 47 SER HBx H 1 4.030 . A 47 SER HBy H 1 4.030 . A 47 SER C C 13 174.070 . A 47 SER CA C 13 59.696 . A 47 SER CB C 13 64.013 . A 47 SER N N 15 114.263 . A 48 LYS H H 1 7.821 . A 48 LYS HA H 1 3.990 . A 48 LYS HBx H 1 2.015 . A 48 LYS HBy H 1 2.015 . A 48 LYS HDx H 1 1.699 . A 48 LYS HDy H 1 1.699 . A 48 LYS HEx H 1 3.000 . A 48 LYS HEy H 1 3.000 . A 48 LYS HGx H 1 1.409 . A 48 LYS HGy H 1 1.409 . A 48 LYS C C 13 175.804 . A 48 LYS CA C 13 57.537 . A 48 LYS CB C 13 29.947 . A 48 LYS CD C 13 29.116 . A 48 LYS CE C 13 42.261 . A 48 LYS CG C 13 24.924 . A 48 LYS N N 15 115.405 . A 49 ILE H H 1 7.324 . A 49 ILE HA H 1 4.041 . A 49 ILE HB H 1 1.712 . A 49 ILE HD1% H 1 0.760 . A 49 ILE HG1x H 1 1.317 . A 49 ILE HG1y H 1 1.317 . A 49 ILE HG2% H 1 0.812 . A 49 ILE C C 13 175.125 . A 49 ILE CA C 13 61.315 . A 49 ILE CB C 13 38.919 . A 49 ILE CD1 C 13 13.546 . A 49 ILE CG1 C 13 26.549 . A 49 ILE CG2 C 13 17.339 . A 49 ILE N N 15 117.265 . A 50 ARG H H 1 8.437 . A 50 ARG HA H 1 4.471 . A 50 ARG HBx H 1 1.710 . A 50 ARG HBy H 1 1.710 . A 50 ARG HDx H 1 3.174 . A 50 ARG HDy H 1 3.174 . A 50 ARG HGx H 1 1.475 . A 50 ARG HGy H 1 1.475 . A 50 ARG C C 13 175.007 . A 50 ARG CA C 13 55.176 . A 50 ARG CB C 13 31.026 . A 50 ARG CD C 13 43.344 . A 50 ARG CG C 13 27.159 . A 50 ARG N N 15 126.687 . A 51 ILE H H 1 8.157 . A 51 ILE HA H 1 4.276 . A 51 ILE HB H 1 2.427 . A 51 ILE HD1% H 1 1.307 . A 51 ILE HG1x H 1 2.010 . A 51 ILE HG1y H 1 2.010 . A 51 ILE HG2% H 1 0.395 . A 51 ILE C C 13 174.726 . A 51 ILE CA C 13 60.235 . A 51 ILE CB C 13 37.772 . A 51 ILE CD1 C 13 16.239 . A 51 ILE CG1 C 13 27.971 . A 51 ILE CG2 C 13 18.964 . A 51 ILE N N 15 127.722 . A 52 ILE H H 1 8.674 . A 52 ILE HA H 1 4.781 . A 52 ILE HB H 1 2.015 . A 52 ILE HD1% H 1 0.799 . A 52 ILE HG1x H 1 1.437 . A 52 ILE HG1y H 1 1.437 . A 52 ILE HG2% H 1 0.864 . A 52 ILE C C 13 175.733 . A 52 ILE CA C 13 59.021 . A 52 ILE CB C 13 42.089 . A 52 ILE CD1 C 13 13.973 . A 52 ILE CG1 C 13 25.195 . A 52 ILE CG2 C 13 17.610 . A 52 ILE N N 15 121.888 . A 53 ILE H H 1 7.891 . A 53 ILE HA H 1 3.338 . A 53 ILE HB H 1 1.697 . A 53 ILE HD1% H 1 0.838 . A 53 ILE HG2% H 1 0.877 . A 53 ILE C C 13 177.021 . A 53 ILE CA C 13 64.274 . A 53 ILE CB C 13 37.256 . A 53 ILE CD1 C 13 12.957 . A 53 ILE CG1 C 13 29.123 . A 53 ILE CG2 C 13 17.068 . A 53 ILE N N 15 119.363 . A 54 GLY H H 1 8.853 . A 54 GLY HAy H 1 4.478 . A 54 GLY HAx H 1 3.609 . A 54 GLY C C 13 174.844 . A 54 GLY CA C 13 45.188 . A 54 GLY N N 15 116.136 . A 55 ASP H H 1 8.054 . A 55 ASP HA H 1 4.588 . A 55 ASP HBy H 1 2.843 . A 55 ASP HBx H 1 2.226 . A 55 ASP C C 13 175.804 . A 55 ASP CA C 13 55.200 . A 55 ASP CB C 13 41.048 . A 55 ASP N N 15 121.946 . A 56 ARG H H 1 8.766 . A 56 ARG HA H 1 5.200 . A 56 ARG HBx H 1 1.725 . A 56 ARG HBy H 1 1.725 . A 56 ARG HDx H 1 3.234 . A 56 ARG HDy H 1 3.234 . A 56 ARG C C 13 176.483 . A 56 ARG CA C 13 54.097 . A 56 ARG CB C 13 30.689 . A 56 ARG CD C 13 42.125 . A 56 ARG CG C 13 26.549 . A 56 ARG N N 15 120.974 . A 57 VAL H H 1 8.985 . A 57 VAL HA H 1 4.965 . A 57 VAL HB H 1 1.990 . A 57 VAL HGx% H 1 0.669 . A 57 VAL HGy% H 1 0.447 . A 57 VAL C C 13 172.243 . A 57 VAL CA C 13 58.077 . A 57 VAL CB C 13 36.288 . A 57 VAL CGy C 13 22.418 . A 57 VAL CGx C 13 17.948 . A 57 VAL N N 15 114.943 . A 58 LEU H H 1 8.382 . A 58 LEU HA H 1 4.731 . A 58 LEU HBx H 1 1.776 . A 58 LEU HBy H 1 1.776 . A 58 LEU HDx% H 1 0.817 . A 58 LEU HDy% H 1 0.773 . A 58 LEU HG H 1 1.124 . A 58 LEU C C 13 174.773 . A 58 LEU CA C 13 53.085 . A 58 LEU CB C 13 45.788 . A 58 LEU CDx C 13 23.298 . A 58 LEU CDy C 13 23.298 . A 58 LEU CG C 13 25.940 . A 58 LEU N N 15 122.410 . A 59 VAL H H 1 9.305 . A 59 VAL HA H 1 4.744 . A 59 VAL HB H 1 1.919 . A 59 VAL HGx% H 1 0.656 . A 59 VAL HGy% H 1 0.656 . A 59 VAL C C 13 174.141 . A 59 VAL CA C 13 60.279 . A 59 VAL CB C 13 34.399 . A 59 VAL CGx C 13 22.147 . A 59 VAL CGy C 13 22.147 . A 59 VAL N N 15 127.937 . A 60 GLU H H 1 9.142 . A 60 GLU HA H 1 5.304 . A 60 GLU HBx H 1 1.945 . A 60 GLU HBy H 1 1.945 . A 60 GLU HGx H 1 2.095 . A 60 GLU HGy H 1 2.127 . A 60 GLU C C 13 176.155 . A 60 GLU CA C 13 54.164 . A 60 GLU CB C 13 33.803 . A 60 GLU CG C 13 37.791 . A 60 GLU N N 15 124.832 . A 61 MET H H 1 8.984 . A 61 MET HA H 1 4.899 . A 61 MET HBx H 1 2.101 . A 61 MET HBy H 1 2.101 . A 61 MET HGx H 1 2.466 . A 61 MET HGy H 1 2.466 . A 61 MET C C 13 173.953 . A 61 MET CA C 13 54.232 . A 61 MET CB C 13 37.256 . A 61 MET CG C 13 31.357 . A 61 MET N N 15 124.187 . A 62 SER H H 1 9.167 . A 62 SER HA H 1 4.263 . A 62 SER HBy H 1 3.911 . A 62 SER HBx H 1 3.872 . A 62 SER C C 13 176.413 . A 62 SER CA C 13 56.893 . A 62 SER CB C 13 65.362 . A 62 SER N N 15 116.623 . A 63 ILE H H 1 8.604 . A 63 ILE HA H 1 3.989 . A 63 ILE HB H 1 1.725 . A 63 ILE HD1% H 1 0.760 . A 63 ILE HG1x H 1 1.067 . A 63 ILE HG1y H 1 1.067 . A 63 ILE HG2% H 1 0.698 . A 63 ILE C C 13 176.623 . A 63 ILE CA C 13 63.878 . A 63 ILE CB C 13 38.244 . A 63 ILE CD1 C 13 13.343 . A 63 ILE CG1 C 13 27.411 . A 63 ILE CG2 C 13 17.203 . A 63 ILE N N 15 121.187 . A 64 TYR H H 1 7.762 . A 64 TYR HA H 1 4.432 . A 64 TYR HBy H 1 3.174 . A 64 TYR HBx H 1 2.791 . A 64 TYR HDx H 1 7.123 . A 64 TYR HDy H 1 7.123 . A 64 TYR HEx H 1 7.163 . A 64 TYR HEy H 1 7.163 . A 64 TYR C C 13 177.092 . A 64 TYR CA C 13 59.156 . A 64 TYR CB C 13 38.109 . A 64 TYR N N 15 120.214 . A 65 ASP H H 1 7.798 . A 65 ASP HA H 1 4.495 . A 65 ASP HBx H 1 2.810 . A 65 ASP HBy H 1 2.810 . A 65 ASP C C 13 177.349 . A 65 ASP CA C 13 55.243 . A 65 ASP CB C 13 40.538 . A 65 ASP N N 15 121.338 . A 66 ARG H H 1 8.382 . A 66 ARG HA H 1 4.069 . A 66 ARG HBx H 1 1.923 . A 66 ARG HBy H 1 1.923 . A 66 ARG HDx H 1 3.016 . A 66 ARG HDy H 1 3.016 . A 66 ARG HGx H 1 1.633 . A 66 ARG HGy H 1 1.633 . A 66 ARG C C 13 178.448 . A 66 ARG CA C 13 58.401 . A 66 ARG CB C 13 30.184 . A 66 ARG CD C 13 43.426 . A 66 ARG CG C 13 27.020 . A 66 ARG N N 15 121.118 . A 67 ASN H H 1 8.194 . A 67 ASN HA H 1 4.601 . A 67 ASN HBx H 1 2.882 . A 67 ASN HBy H 1 2.882 . A 67 ASN C C 13 175.288 . A 67 ASN CA C 13 54.097 . A 67 ASN CB C 13 38.514 . A 67 ASN N N 15 117.334 . A 68 ALA H H 1 7.658 . A 68 ALA HA H 1 4.575 . A 68 ALA HB% H 1 1.449 . A 68 ALA C C 13 176.272 . A 68 ALA CA C 13 52.478 . A 68 ALA CB C 13 19.086 . A 68 ALA N N 15 122.187 . A 69 LYS H H 1 8.255 . A 69 LYS HA H 1 4.197 . A 69 LYS HBx H 1 2.088 . A 69 LYS HBy H 1 2.088 . A 69 LYS HDy H 1 1.725 . A 69 LYS HDx H 1 1.684 . A 69 LYS HEx H 1 2.973 . A 69 LYS HEy H 1 2.973 . A 69 LYS HGx H 1 1.423 . A 69 LYS HGy H 1 1.423 . A 69 LYS C C 13 176.085 . A 69 LYS CA C 13 56.728 . A 69 LYS CB C 13 31.566 . A 69 LYS CD C 13 29.364 . A 69 LYS CE C 13 41.004 . A 69 LYS CG C 13 25.145 . A 69 LYS N N 15 116.931 . A 70 LYS H H 1 8.182 . A 70 LYS HA H 1 5.526 . A 70 LYS HBx H 1 1.975 . A 70 LYS HBy H 1 1.975 . A 70 LYS HDy H 1 1.725 . A 70 LYS HDx H 1 1.671 . A 70 LYS HGx H 1 1.423 . A 70 LYS HGy H 1 1.423 . A 70 LYS C C 13 175.171 . A 70 LYS CA C 13 54.704 . A 70 LYS CB C 13 36.850 . A 70 LYS CD C 13 29.286 . A 70 LYS CG C 13 24.832 . A 70 LYS N N 15 119.854 . A 71 GLY H H 1 7.780 . A 71 GLY HAy H 1 4.451 . A 71 GLY HAx H 1 3.559 . A 71 GLY C C 13 171.541 . A 71 GLY CA C 13 45.462 . A 71 GLY N N 15 103.604 . A 72 ARG H H 1 8.007 . A 72 ARG HA H 1 4.861 . A 72 ARG HBx H 1 1.515 . A 72 ARG HBy H 1 1.515 . A 72 ARG HDx H 1 3.174 . A 72 ARG HDy H 1 3.174 . A 72 ARG HGx H 1 1.199 . A 72 ARG HGy H 1 1.199 . A 72 ARG C C 13 175.570 . A 72 ARG CA C 13 53.624 . A 72 ARG CB C 13 34.129 . A 72 ARG CD C 13 43.679 . A 72 ARG CG C 13 27.364 . A 72 ARG N N 15 119.187 . A 73 ILE H H 1 9.094 . A 73 ILE HA H 1 4.263 . A 73 ILE HB H 1 1.528 . A 73 ILE HD1% H 1 0.760 . A 73 ILE HG2% H 1 0.646 . A 73 ILE C C 13 175.312 . A 73 ILE CA C 13 62.259 . A 73 ILE CB C 13 39.423 . A 73 ILE CD1 C 13 13.973 . A 73 ILE CG1 C 13 28.739 . A 73 ILE CG2 C 13 16.473 . A 73 ILE N N 15 125.721 . A 74 ILE H H 1 8.740 . A 74 ILE HA H 1 4.596 . A 74 ILE HB H 1 1.976 . A 74 ILE HD1% H 1 0.799 . A 74 ILE HG1x H 1 1.107 . A 74 ILE HG1y H 1 1.107 . A 74 ILE HG2% H 1 0.870 . A 74 ILE C C 13 176.249 . A 74 ILE CA C 13 60.910 . A 74 ILE CB C 13 39.863 . A 74 ILE CD1 C 13 14.051 . A 74 ILE CG1 C 13 26.161 . A 74 ILE CG2 C 13 18.582 . A 74 ILE N N 15 120.540 . A 75 ARG H H 1 7.397 . A 75 ARG HA H 1 4.289 . A 75 ARG HBy H 1 1.697 . A 75 ARG HBx H 1 1.515 . A 75 ARG HDx H 1 3.091 . A 75 ARG HDy H 1 3.091 . A 75 ARG HGx H 1 1.190 . A 75 ARG HGy H 1 1.190 . A 75 ARG C C 13 173.883 . A 75 ARG CA C 13 56.390 . A 75 ARG CB C 13 34.669 . A 75 ARG CD C 13 43.739 . A 75 ARG CG C 13 27.411 . A 75 ARG N N 15 118.582 . A 76 ARG H H 1 9.094 . A 76 ARG HA H 1 4.609 . A 76 ARG HBx H 1 1.867 . A 76 ARG HBy H 1 1.867 . A 76 ARG HDx H 1 3.042 . A 76 ARG HDy H 1 3.042 . A 76 ARG HGx H 1 1.164 . A 76 ARG HGy H 1 1.170 . A 76 ARG C C 13 175.312 . A 76 ARG CA C 13 55.810 . A 76 ARG CB C 13 31.094 . A 76 ARG CD C 13 43.504 . A 76 ARG CG C 13 27.489 . A 76 ARG N N 15 125.606 . A 77 LEU H H 1 8.742 . A 77 LEU HA H 1 4.372 . A 77 LEU HBy H 1 1.554 . A 77 LEU HBx H 1 1.515 . A 77 LEU HDx% H 1 0.773 . A 77 LEU HDy% H 1 0.747 . A 77 LEU HG H 1 1.411 . A 77 LEU C C 13 176.225 . A 77 LEU CA C 13 54.704 . A 77 LEU CB C 13 42.292 . A 77 LEU CDx C 13 22.567 . A 77 LEU CDy C 13 22.567 . A 77 LEU CG C 13 25.614 . A 77 LEU N N 15 128.575 . A 78 LYS H H 1 8.090 . A 78 LYS HA H 1 4.302 . A 78 LYS HBx H 1 1.763 . A 78 LYS HBy H 1 1.763 . A 78 LYS HDx H 1 1.684 . A 78 LYS HDy H 1 1.684 . A 78 LYS HEx H 1 2.960 . A 78 LYS HEy H 1 2.960 . A 78 LYS C C 13 176.296 . A 78 LYS CA C 13 56.390 . A 78 LYS CB C 13 33.994 . A 78 LYS CD C 13 29.129 . A 78 LYS CE C 13 40.692 . A 78 LYS CG C 13 24.520 . A 78 LYS N N 15 119.592 . A 79 GLY H H 1 8.520 . A 79 GLY HAy H 1 4.289 . A 79 GLY HAx H 1 3.937 . A 79 GLY C C 13 174.328 . A 79 GLY CA C 13 44.990 . A 79 GLY N N 15 110.854 . A 80 THR H H 1 8.348 . A 80 THR HA H 1 4.237 . A 80 THR HB H 1 4.237 . A 80 THR HG2% H 1 1.199 . A 80 THR C C 13 175.054 . A 80 THR CA C 13 62.242 . A 80 THR CB C 13 69.826 . A 80 THR CG2 C 13 21.473 . A 80 THR N N 15 114.187 . A 81 SER H H 1 8.474 . A 81 SER HA H 1 4.449 . A 81 SER HBx H 1 3.874 . A 81 SER HBy H 1 3.874 . A 81 SER C C 13 174.703 . A 81 SER CA C 13 58.481 . A 81 SER CB C 13 63.338 . A 81 SER N N 15 117.958 . A 82 ASP HA H 1 4.280 . A 82 ASP HBy H 1 1.554 . A 82 ASP HBx H 1 1.515 . A 82 ASP C C 13 177.115 . A 82 ASP CA C 13 55.176 . A 82 ASP CB C 13 42.359 . A 83 ARG H H 1 8.259 . A 83 ARG HA H 1 4.346 . A 83 ARG HBy H 1 1.855 . A 83 ARG HBx H 1 1.854 . A 83 ARG HDx H 1 3.182 . A 83 ARG HDy H 1 3.182 . A 83 ARG HGx H 1 1.633 . A 83 ARG HGy H 1 1.633 . A 83 ARG C C 13 176.342 . A 83 ARG CA C 13 56.053 . A 83 ARG CB C 13 30.891 . A 83 ARG CD C 13 43.270 . A 83 ARG CG C 13 27.098 . A 83 ARG N N 15 121.531 . A 84 THR H H 1 8.273 . A 84 THR HA H 1 4.333 . A 84 THR HB H 1 4.148 . A 84 THR HG2% H 1 1.172 . A 84 THR C C 13 174.445 . A 84 THR CA C 13 62.254 . A 84 THR CB C 13 69.833 . A 84 THR CG2 C 13 21.707 . A 84 THR N N 15 116.462 . A 85 ILE H H 1 8.225 . A 85 ILE HA H 1 4.188 . A 85 ILE HB H 1 1.857 . A 85 ILE HD1% H 1 0.825 . A 85 ILE HG1x H 1 1.449 . A 85 ILE HG1y H 1 1.449 . A 85 ILE HG2% H 1 0.825 . A 85 ILE C C 13 176.155 . A 85 ILE CA C 13 61.112 . A 85 ILE CB C 13 38.919 . A 85 ILE CD1 C 13 12.801 . A 85 ILE CG1 C 13 27.254 . A 85 ILE CG2 C 13 17.489 . A 85 ILE N N 15 123.762 . A 86 SER H H 1 8.377 . A 86 SER HA H 1 4.451 . A 86 SER HBx H 1 3.846 . A 86 SER HBy H 1 3.846 . A 86 SER C C 13 174.586 . A 86 SER CA C 13 58.212 . A 86 SER CB C 13 63.271 . A 86 SER N N 15 120.214 . A 87 LYS H H 1 8.358 . A 87 LYS HA H 1 4.279 . A 87 LYS HBx H 1 1.724 . A 87 LYS HBy H 1 1.724 . A 87 LYS HEx H 1 2.959 . A 87 LYS HEy H 1 2.959 . A 87 LYS HGx H 1 1.383 . A 87 LYS HGy H 1 1.383 . A 87 LYS C C 13 176.342 . A 87 LYS CA C 13 56.390 . A 87 LYS CB C 13 32.915 . A 87 LYS N N 15 123.707 . 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 MET H1 A 1 MET HGx 1.0 . 5.50 2 2 A 1 MET H1 A 1 MET HGy 1.0 . 5.50 3 3 A 1 MET H1 A 2 VAL H 1.0 . 3.42 4 4 A 2 VAL H A 1 MET HA 1.0 . 3.55 5 5 A 2 VAL H A 1 MET HBx 1.0 . 3.87 6 6 A 2 VAL H A 1 MET HBy 1.0 . 3.87 7 7 A 1 MET HGx A 2 VAL H 1.0 . 5.50 8 8 A 1 MET HGy A 2 VAL H 1.0 . 5.50 9 9 A 2 VAL H A 2 VAL HB 1.0 . 3.64 10 10 A 2 VAL H A 2 VAL HGx% 1.0 . 4.74 11 11 A 2 VAL H A 2 VAL HGy% 1.0 . 4.74 12 12 A 2 VAL H A 3 LYS H 1.0 . 3.17 13 13 A 2 VAL HB A 2 VAL HA 1.0 . 3.01 14 14 A 2 VAL HGx% A 2 VAL HA 1.0 . 4.18 15 15 A 2 VAL HGy% A 2 VAL HA 1.0 . 4.18 16 16 A 3 LYS H A 2 VAL HA 1.0 . 3.35 17 17 A 2 VAL HB A 3 LYS H 1.0 . 4.28 18 18 A 2 VAL HGx% A 3 LYS H 1.0 . 5.48 19 19 A 2 VAL HGy% A 3 LYS H 1.0 . 5.48 20 20 A 3 LYS H A 3 LYS HDx 1.0 . 4.13 21 21 A 3 LYS H A 3 LYS HDy 1.0 . 3.81 22 22 A 3 LYS H A 3 LYS HEx 1.0 . 5.50 23 23 A 3 LYS H A 3 LYS HEy 1.0 . 5.71 24 24 A 3 LYS H A 3 LYS HGx 1.0 . 4.81 25 25 A 3 LYS H A 3 LYS HGy 1.0 . 4.81 26 26 A 3 LYS H A 4 ASP H 1.0 . 3.52 27 27 A 3 LYS HDx A 3 LYS HA 1.0 . 3.16 28 28 A 3 LYS HDy A 3 LYS HA 1.0 . 3.16 29 29 A 3 LYS HEx A 3 LYS HA 1.0 . 4.38 30 30 A 3 LYS HEy A 3 LYS HA 1.0 . 4.24 31 31 A 3 LYS HGx A 3 LYS HA 1.0 . 3.96 32 32 A 3 LYS HGy A 3 LYS HA 1.0 . 3.96 33 33 A 4 ASP H A 3 LYS HA 1.0 . 3.16 34 34 A 3 LYS HEx A 3 LYS HBx 1.0 . 4.80 35 35 A 3 LYS HEy A 3 LYS HBx 1.0 . 4.80 36 36 A 4 ASP H A 3 LYS HBx 1.0 . 5.50 37 37 A 3 LYS HEx A 3 LYS HBy 1.0 . 4.80 38 38 A 3 LYS HEy A 3 LYS HBy 1.0 . 4.80 39 39 A 4 ASP H A 3 LYS HBy 1.0 . 5.50 40 40 A 3 LYS HDx A 4 ASP H 1.0 . 4.22 41 41 A 3 LYS HDy A 4 ASP H 1.0 . 4.32 42 42 A 3 LYS HEx A 3 LYS HGx 1.0 . 3.44 43 43 A 3 LYS HEy A 3 LYS HGx 1.0 . 3.44 44 44 A 3 LYS HGx A 4 ASP H 1.0 . 5.50 45 45 A 3 LYS HEx A 3 LYS HGy 1.0 . 3.44 46 46 A 3 LYS HEy A 3 LYS HGy 1.0 . 3.44 47 47 A 3 LYS HGy A 4 ASP H 1.0 . 5.71 48 48 A 4 ASP H A 4 ASP HBy 1.0 . 3.59 49 48 A 4 ASP H A 4 ASP HBx 1.0 . 3.59 50 49 A 4 ASP H A 5 GLU H 1.0 . 2.95 51 50 A 5 GLU H A 4 ASP HA 1.0 . 3.42 52 51 A 5 GLU H A 4 ASP HBy 1.0 . 2.39 53 51 A 4 ASP HBx A 5 GLU H 1.0 . 2.39 54 52 A 5 GLU H A 5 GLU HBx 1.0 . 2.40 55 53 A 5 GLU H A 5 GLU HBy 1.0 . 3.21 56 54 A 5 GLU H A 5 GLU HGx 1.0 . 4.62 57 55 A 5 GLU H A 5 GLU HGy 1.0 . 4.62 58 56 A 5 GLU H A 6 LYS H 1.0 . 3.23 59 57 A 5 GLU HBx A 5 GLU HA 1.0 . 2.83 60 58 A 5 GLU HBy A 5 GLU HA 1.0 . 2.91 61 59 A 5 GLU HGx A 5 GLU HA 1.0 . 3.57 62 60 A 5 GLU HGy A 5 GLU HA 1.0 . 3.36 63 61 A 6 LYS H A 5 GLU HA 1.0 . 3.57 64 62 A 5 GLU HBx A 5 GLU HGx 1.0 . 2.78 65 63 A 5 GLU HBx A 5 GLU HGy 1.0 . 3.00 66 64 A 5 GLU HBx A 6 LYS H 1.0 . 3.03 67 65 A 5 GLU HBy A 5 GLU HGx 1.0 . 2.92 68 66 A 5 GLU HBy A 5 GLU HGy 1.0 . 2.79 69 67 A 5 GLU HBy A 6 LYS H 1.0 . 2.40 70 68 A 6 LYS H A 6 LYS HBx 1.0 . 2.73 71 69 A 6 LYS H A 6 LYS HBy 1.0 . 3.53 72 70 A 6 LYS H A 6 LYS HDx 1.0 . 5.05 73 71 A 6 LYS H A 6 LYS HDy 1.0 . 5.05 74 72 A 6 LYS H A 6 LYS HEx 1.0 . 5.93 75 73 A 6 LYS H A 6 LYS HEy 1.0 . 5.91 76 74 A 6 LYS H A 6 LYS HGx 1.0 . 4.35 77 75 A 6 LYS H A 6 LYS HGy 1.0 . 4.35 78 76 A 6 LYS H A 7 SER H 1.0 . 4.51 79 77 A 6 LYS HDx A 6 LYS HA 1.0 . 4.09 80 78 A 6 LYS HDy A 6 LYS HA 1.0 . 3.58 81 79 A 6 LYS HEx A 6 LYS HA 1.0 . 4.72 82 80 A 6 LYS HEy A 6 LYS HA 1.0 . 5.12 83 81 A 6 LYS HGx A 6 LYS HA 1.0 . 3.62 84 82 A 6 LYS HGy A 6 LYS HA 1.0 . 3.56 85 83 A 6 LYS HBx A 6 LYS HDx 1.0 . 3.32 86 84 A 6 LYS HBx A 6 LYS HDy 1.0 . 3.72 87 85 A 6 LYS HBx A 6 LYS HEx 1.0 . 4.89 88 86 A 6 LYS HBx A 6 LYS HEy 1.0 . 4.35 89 87 A 6 LYS HBy A 6 LYS HDx 1.0 . 3.84 90 88 A 6 LYS HBy A 6 LYS HDy 1.0 . 3.91 91 89 A 6 LYS HBy A 6 LYS HEx 1.0 . 4.35 92 90 A 6 LYS HBy A 6 LYS HEy 1.0 . 4.90 93 91 A 6 LYS HDx A 6 LYS HEx 1.0 . 3.01 94 92 A 6 LYS HDx A 6 LYS HEy 1.0 . 2.65 95 93 A 6 LYS HDx A 7 SER H 1.0 . 4.49 96 94 A 6 LYS HDy A 6 LYS HEx 1.0 . 2.65 97 95 A 6 LYS HDy A 6 LYS HEy 1.0 . 3.02 98 96 A 6 LYS HDy A 7 SER H 1.0 . 4.49 99 97 A 6 LYS HDx A 6 LYS HGx 1.0 . 3.02 100 98 A 6 LYS HDy A 6 LYS HGx 1.0 . 2.70 101 99 A 6 LYS HEx A 6 LYS HGx 1.0 . 3.88 102 100 A 6 LYS HEy A 6 LYS HGx 1.0 . 3.88 103 101 A 6 LYS HGx A 7 SER H 1.0 . 4.45 104 102 A 6 LYS HDx A 6 LYS HGy 1.0 . 2.40 105 103 A 6 LYS HDy A 6 LYS HGy 1.0 . 3.02 106 104 A 6 LYS HEx A 6 LYS HGy 1.0 . 3.88 107 105 A 6 LYS HEy A 6 LYS HGy 1.0 . 3.88 108 106 A 6 LYS HGy A 7 SER H 1.0 . 4.45 109 107 A 7 SER H A 7 SER HBx 1.0 . 4.17 110 108 A 7 SER H A 7 SER HBy 1.0 . 4.17 111 109 A 7 SER H A 8 LYS H 1.0 . 2.80 112 110 A 7 SER HBx A 7 SER HA 1.0 . 2.80 113 111 A 7 SER HBy A 7 SER HA 1.0 . 2.80 114 112 A 7 SER HBx A 8 LYS H 1.0 . 4.89 115 113 A 7 SER HBy A 8 LYS H 1.0 . 4.89 116 114 A 8 LYS H A 8 LYS HDx 1.0 . 5.13 117 115 A 8 LYS H A 8 LYS HDy 1.0 . 4.86 118 116 A 8 LYS H A 8 LYS HEx 1.0 . 5.46 119 117 A 8 LYS H A 8 LYS HEy 1.0 . 5.20 120 118 A 8 LYS H A 8 LYS HGx 1.0 . 4.45 121 119 A 8 LYS H A 8 LYS HGy 1.0 . 4.45 122 120 A 8 LYS H A 9 THR H 1.0 . 3.50 123 121 A 8 LYS HA A 8 LYS HDx 1.0 . 4.53 124 122 A 8 LYS HA A 8 LYS HDy 1.0 . 3.72 125 123 A 8 LYS HEx A 8 LYS HA 1.0 . 4.27 126 124 A 8 LYS HEy A 8 LYS HA 1.0 . 4.66 127 125 A 8 LYS HGx A 8 LYS HA 1.0 . 3.62 128 126 A 8 LYS HGy A 8 LYS HA 1.0 . 3.62 129 127 A 9 THR H A 8 LYS HA 1.0 . 3.56 130 128 A 8 LYS HBx A 10 LEU H 1.0 . 6.04 131 129 A 8 LYS HBx A 8 LYS HDx 1.0 . 3.84 132 130 A 8 LYS HBx A 8 LYS HDy 1.0 . 3.61 133 131 A 8 LYS HEx A 8 LYS HBx 1.0 . 5.32 134 132 A 8 LYS HEy A 8 LYS HBx 1.0 . 5.32 135 133 A 10 LEU H A 8 LYS HBy 1.0 . 5.81 136 134 A 8 LYS HBy A 8 LYS HDx 1.0 . 3.63 137 135 A 8 LYS HBy A 8 LYS HDy 1.0 . 2.40 138 136 A 8 LYS HEx A 8 LYS HBy 1.0 . 5.32 139 137 A 8 LYS HEy A 8 LYS HBy 1.0 . 5.32 140 138 A 8 LYS HEx A 8 LYS HDx 1.0 . 3.01 141 139 A 8 LYS HEy A 8 LYS HDx 1.0 . 2.70 142 140 A 9 THR H A 8 LYS HDx 1.0 . 5.50 143 141 A 8 LYS HEx A 8 LYS HDy 1.0 . 2.70 144 142 A 8 LYS HEy A 8 LYS HDy 1.0 . 3.01 145 143 A 9 THR H A 8 LYS HDy 1.0 . 5.50 146 144 A 8 LYS HGx A 8 LYS HDx 1.0 . 3.00 147 145 A 8 LYS HGx A 8 LYS HDy 1.0 . 2.71 148 146 A 8 LYS HEx A 8 LYS HGx 1.0 . 2.74 149 147 A 8 LYS HEy A 8 LYS HGx 1.0 . 2.74 150 148 A 8 LYS HGx A 9 THR H 1.0 . 5.40 151 149 A 8 LYS HGy A 8 LYS HDx 1.0 . 2.40 152 150 A 8 LYS HGy A 8 LYS HDy 1.0 . 3.00 153 151 A 8 LYS HEx A 8 LYS HGy 1.0 . 3.77 154 152 A 8 LYS HEy A 8 LYS HGy 1.0 . 2.74 155 153 A 8 LYS HGy A 9 THR H 1.0 . 5.71 156 154 A 8 LYS HDy A 10 LEU HDy% 1.0 . 5.86 157 154 A 8 LYS HDx A 10 LEU HDy% 1.0 . 5.86 158 154 A 10 LEU HDx% A 8 LYS HDx 1.0 . 5.86 159 154 A 8 LYS HDy A 10 LEU HDx% 1.0 . 5.86 160 155 A 9 THR H A 10 LEU H 1.0 . 4.16 161 156 A 9 THR H A 10 LEU HDy% 1.0 . 5.31 162 156 A 9 THR H A 10 LEU HDx% 1.0 . 5.31 163 157 A 9 THR H A 9 THR HB 1.0 . 3.79 164 158 A 9 THR H A 9 THR HG2% 1.0 . 5.13 165 159 A 9 THR HB A 9 THR HA 1.0 . 2.56 166 160 A 10 LEU H A 9 THR HG2% 1.0 . 4.59 167 161 A 10 LEU H A 10 LEU HBy 1.0 . 3.88 168 162 A 10 LEU H A 10 LEU HBx 1.0 . 3.50 169 163 A 10 LEU H A 10 LEU HG 1.0 . 3.76 170 164 A 10 LEU H A 10 LEU HBx 1.0 . 3.05 171 164 A 10 LEU H A 10 LEU HBy 1.0 . 3.05 172 165 A 10 LEU H A 10 LEU HDx% 1.0 . 4.79 173 166 A 10 LEU H A 10 LEU HDy% 1.0 . 4.79 174 167 A 10 LEU H A 11 PHE H 1.0 . 4.58 175 168 A 10 LEU H A 62 SER HA 1.0 . 5.80 176 169 A 10 LEU HG A 10 LEU HA 1.0 . 4.26 177 170 A 10 LEU HA A 10 LEU HBx 1.0 . 2.64 178 170 A 10 LEU HBy A 10 LEU HA 1.0 . 2.64 179 171 A 10 LEU HA A 10 LEU HDy% 1.0 . 3.59 180 171 A 10 LEU HDx% A 10 LEU HA 1.0 . 3.59 181 172 A 11 PHE H A 10 LEU HA 1.0 . 3.16 182 173 A 10 LEU HBy A 11 PHE H 1.0 . 3.92 183 174 A 10 LEU HBy A 61 MET HA 1.0 . 4.11 184 175 A 11 PHE H A 10 LEU HBx 1.0 . 4.33 185 176 A 61 MET HA A 10 LEU HBx 1.0 . 5.92 186 177 A 10 LEU HG A 11 PHE H 1.0 . 4.89 187 178 A 10 LEU HG A 61 MET HA 1.0 . 4.84 188 179 A 10 LEU HG A 61 MET HBy 1.0 . 5.02 189 179 A 10 LEU HG A 61 MET HBx 1.0 . 5.02 190 180 A 10 LEU HG A 61 MET HGy 1.0 . 5.59 191 180 A 10 LEU HG A 61 MET HGx 1.0 . 5.59 192 181 A 10 LEU HG A 10 LEU HBx 1.0 . 2.31 193 181 A 10 LEU HG A 10 LEU HBy 1.0 . 2.31 194 182 A 11 PHE H A 10 LEU HBx 1.0 . 3.36 195 182 A 10 LEU HBy A 11 PHE H 1.0 . 3.36 196 183 A 61 MET HA A 10 LEU HBx 1.0 . 4.22 197 183 A 10 LEU HBy A 61 MET HA 1.0 . 4.22 198 184 A 10 LEU HBx A 61 MET HBy 1.0 . 4.62 199 184 A 10 LEU HBy A 61 MET HBy 1.0 . 4.62 200 184 A 61 MET HBx A 10 LEU HBx 1.0 . 4.62 201 184 A 10 LEU HBy A 61 MET HBx 1.0 . 4.62 202 185 A 10 LEU HDx% A 11 PHE H 1.0 . 4.84 203 186 A 10 LEU HDx% A 62 SER HA 1.0 . 5.14 204 187 A 11 PHE H A 10 LEU HDy% 1.0 . 4.84 205 188 A 62 SER HA A 10 LEU HDy% 1.0 . 4.95 206 189 A 61 MET HA A 10 LEU HDy% 1.0 . 4.06 207 189 A 10 LEU HDx% A 61 MET HA 1.0 . 4.06 208 190 A 10 LEU HDx% A 61 MET HBy 1.0 . 3.66 209 190 A 10 LEU HDy% A 61 MET HBy 1.0 . 3.66 210 190 A 61 MET HBx A 10 LEU HDy% 1.0 . 3.66 211 190 A 10 LEU HDx% A 61 MET HBx 1.0 . 3.66 212 191 A 62 SER HA A 10 LEU HDy% 1.0 . 4.19 213 191 A 10 LEU HDx% A 62 SER HA 1.0 . 4.19 214 192 A 10 LEU HDx% A 62 SER HBy 1.0 . 3.92 215 192 A 62 SER HBx A 10 LEU HDy% 1.0 . 3.92 216 192 A 10 LEU HDx% A 62 SER HBx 1.0 . 3.92 217 192 A 10 LEU HDy% A 62 SER HBy 1.0 . 3.92 218 193 A 11 PHE H A 11 PHE HBy 1.0 . 4.07 219 194 A 11 PHE H A 11 PHE HBx 1.0 . 4.07 220 195 A 11 PHE H A 11 PHE HDy 1.0 . 5.60 221 196 A 11 PHE H A 11 PHE HDx 1.0 . 5.35 222 197 A 11 PHE H A 11 PHE HBx 1.0 . 3.49 223 197 A 11 PHE H A 11 PHE HBy 1.0 . 3.49 224 198 A 11 PHE H A 12 GLU H 1.0 . 4.56 225 199 A 11 PHE H A 61 MET H 1.0 . 4.98 226 200 A 11 PHE H A 61 MET HBx 1.0 . 5.69 227 201 A 11 PHE H A 61 MET HBy 1.0 . 6.18 228 202 A 11 PHE H A 62 SER HA 1.0 . 4.87 229 203 A 11 PHE HDy A 11 PHE HA 1.0 . 4.41 230 204 A 11 PHE HDx A 11 PHE HA 1.0 . 4.40 231 205 A 11 PHE HA A 11 PHE HEx 1.0 . 5.92 232 206 A 11 PHE HA A 11 PHE HEy 1.0 . 5.96 233 207 A 11 PHE HA A 11 PHE HBx 1.0 . 2.58 234 207 A 11 PHE HBy A 11 PHE HA 1.0 . 2.58 235 208 A 12 GLU H A 11 PHE HA 1.0 . 2.87 236 209 A 11 PHE HDy A 11 PHE HBy 1.0 . 3.51 237 210 A 11 PHE HDx A 11 PHE HBy 1.0 . 3.58 238 211 A 11 PHE HBy A 11 PHE HEx 1.0 . 5.31 239 212 A 11 PHE HBy A 11 PHE HEy 1.0 . 5.36 240 213 A 11 PHE HBy A 12 GLU H 1.0 . 4.54 241 214 A 11 PHE HDy A 11 PHE HBx 1.0 . 3.73 242 215 A 11 PHE HDx A 11 PHE HBx 1.0 . 2.50 243 216 A 11 PHE HEx A 11 PHE HBx 1.0 . 5.46 244 217 A 11 PHE HEy A 11 PHE HBx 1.0 . 5.46 245 218 A 12 GLU H A 11 PHE HBx 1.0 . 4.03 246 219 A 11 PHE HDy A 12 GLU H 1.0 . 4.56 247 220 A 11 PHE HDx A 12 GLU H 1.0 . 4.56 248 221 A 12 GLU H A 11 PHE HBx 1.0 . 3.58 249 221 A 11 PHE HBy A 12 GLU H 1.0 . 3.58 250 222 A 63 ILE HD1% A 11 PHE HBx 1.0 . 4.39 251 222 A 11 PHE HBy A 63 ILE HD1% 1.0 . 4.39 252 223 A 12 GLU H A 12 GLU HBy 1.0 . 3.71 253 224 A 12 GLU H A 12 GLU HBx 1.0 . 4.00 254 225 A 12 GLU H A 12 GLU HGx 1.0 . 4.08 255 226 A 12 GLU H A 12 GLU HGy 1.0 . 4.08 256 227 A 12 GLU H A 12 GLU HBx 1.0 . 3.12 257 227 A 12 GLU H A 12 GLU HBy 1.0 . 3.12 258 228 A 12 GLU H A 13 VAL H 1.0 . 4.26 259 229 A 12 GLU H A 13 VAL HGy% 1.0 . 4.89 260 229 A 12 GLU H A 13 VAL HGx% 1.0 . 4.89 261 230 A 12 GLU HA A 12 GLU HGx 1.0 . 4.15 262 231 A 12 GLU HA A 12 GLU HGy 1.0 . 4.15 263 232 A 13 VAL H A 12 GLU HA 1.0 . 2.98 264 233 A 12 GLU HA A 58 LEU HDx% 1.0 . 5.57 265 234 A 12 GLU HA A 58 LEU HDy% 1.0 . 6.15 266 235 A 12 GLU HA A 58 LEU HDy% 1.0 . 4.66 267 235 A 12 GLU HA A 58 LEU HDx% 1.0 . 4.66 268 236 A 12 GLU HA A 59 VAL HGx% 1.0 . 5.37 269 237 A 12 GLU HA A 59 VAL HGy% 1.0 . 5.37 270 238 A 12 GLU HA A 60 GLU HA 1.0 . 3.44 271 239 A 61 MET H A 12 GLU HA 1.0 . 4.00 272 240 A 12 GLU HBy A 13 VAL H 1.0 . 4.17 273 241 A 12 GLU HBy A 58 LEU HDx% 1.0 . 6.02 274 242 A 12 GLU HBy A 58 LEU HDy% 1.0 . 5.69 275 243 A 13 VAL H A 12 GLU HBx 1.0 . 4.17 276 244 A 58 LEU HDx% A 12 GLU HBx 1.0 . 4.82 277 245 A 12 GLU HBx A 58 LEU HDy% 1.0 . 5.59 278 246 A 13 VAL H A 12 GLU HGx 1.0 . 5.30 279 247 A 61 MET H A 12 GLU HGx 1.0 . 4.48 280 248 A 13 VAL H A 12 GLU HGy 1.0 . 5.38 281 249 A 61 MET H A 12 GLU HGy 1.0 . 4.48 282 250 A 12 GLU HBx A 12 GLU HGx 1.0 . 2.21 283 250 A 12 GLU HBy A 12 GLU HGx 1.0 . 2.21 284 250 A 12 GLU HGy A 12 GLU HBx 1.0 . 2.21 285 250 A 12 GLU HBy A 12 GLU HGy 1.0 . 2.21 286 251 A 12 GLU HBx A 58 LEU HDy% 1.0 . 4.12 287 251 A 12 GLU HBy A 58 LEU HDy% 1.0 . 4.12 288 251 A 58 LEU HDx% A 12 GLU HBx 1.0 . 4.12 289 251 A 12 GLU HBy A 58 LEU HDx% 1.0 . 4.12 290 252 A 61 MET H A 12 GLU HBx 1.0 . 4.83 291 252 A 61 MET H A 12 GLU HBy 1.0 . 4.83 292 253 A 62 SER HA A 12 GLU HGx 1.0 . 6.13 293 253 A 62 SER HA A 12 GLU HGy 1.0 . 6.13 294 254 A 13 VAL H A 13 VAL HB 1.0 . 4.17 295 255 A 13 VAL H A 13 VAL HGx% 1.0 . 5.11 296 256 A 13 VAL H A 13 VAL HGy% 1.0 . 5.11 297 257 A 13 VAL H A 13 VAL HGy% 1.0 . 4.21 298 257 A 13 VAL H A 13 VAL HGx% 1.0 . 4.21 299 258 A 13 VAL H A 14 GLU H 1.0 . 4.37 300 259 A 13 VAL H A 58 LEU HA 1.0 . 6.03 301 260 A 13 VAL H A 58 LEU HDy% 1.0 . 4.57 302 260 A 13 VAL H A 58 LEU HDx% 1.0 . 4.57 303 261 A 13 VAL H A 59 VAL H 1.0 . 4.34 304 262 A 13 VAL H A 60 GLU HA 1.0 . 4.73 305 263 A 13 VAL H A 60 GLU HBx 1.0 . 5.57 306 264 A 13 VAL H A 60 GLU HBy 1.0 . 5.79 307 265 A 13 VAL H A 60 GLU HGx 1.0 . 5.68 308 265 A 13 VAL H A 60 GLU HGy 1.0 . 5.68 309 266 A 61 MET H A 13 VAL H 1.0 . 5.64 310 267 A 13 VAL HB A 13 VAL HA 1.0 . 2.94 311 268 A 13 VAL HGx% A 13 VAL HA 1.0 . 4.19 312 269 A 13 VAL HA A 13 VAL HGy% 1.0 . 4.19 313 270 A 14 GLU H A 13 VAL HA 1.0 . 2.86 314 271 A 13 VAL HB A 14 GLU H 1.0 . 3.84 315 272 A 13 VAL HB A 59 VAL HGx% 1.0 . 4.70 316 273 A 13 VAL HB A 59 VAL HGy% 1.0 . 5.37 317 274 A 13 VAL HGx% A 14 GLU H 1.0 . 4.74 318 275 A 14 GLU H A 13 VAL HGy% 1.0 . 4.74 319 276 A 14 GLU H A 13 VAL HGy% 1.0 . 4.10 320 276 A 13 VAL HGx% A 14 GLU H 1.0 . 4.10 321 277 A 30 LEU HA A 13 VAL HGy% 1.0 . 5.19 322 277 A 13 VAL HGx% A 30 LEU HA 1.0 . 5.19 323 278 A 13 VAL HGx% A 30 LEU HBx 1.0 . 4.33 324 278 A 13 VAL HGy% A 30 LEU HBx 1.0 . 4.33 325 278 A 30 LEU HBy A 13 VAL HGy% 1.0 . 4.33 326 278 A 13 VAL HGx% A 30 LEU HBy 1.0 . 4.33 327 279 A 13 VAL HGx% A 30 LEU HDy% 1.0 . 4.38 328 279 A 13 VAL HGy% A 30 LEU HDy% 1.0 . 4.38 329 279 A 30 LEU HDx% A 13 VAL HGy% 1.0 . 4.38 330 279 A 13 VAL HGx% A 30 LEU HDx% 1.0 . 4.38 331 280 A 58 LEU HA A 13 VAL HGy% 1.0 . 6.11 332 280 A 13 VAL HGx% A 58 LEU HA 1.0 . 6.11 333 281 A 59 VAL HB A 13 VAL HGy% 1.0 . 4.11 334 281 A 13 VAL HGx% A 59 VAL HB 1.0 . 4.11 335 282 A 14 GLU H A 14 GLU HBx 1.0 . 4.07 336 283 A 14 GLU H A 14 GLU HBy 1.0 . 4.07 337 284 A 14 GLU H A 14 GLU HGx 1.0 . 3.94 338 285 A 14 GLU H A 14 GLU HGy 1.0 . 3.94 339 286 A 14 GLU H A 15 GLY H 1.0 . 4.54 340 287 A 14 GLU HA A 14 GLU HGx 1.0 . 4.19 341 288 A 14 GLU HA A 14 GLU HGy 1.0 . 4.19 342 289 A 58 LEU HA A 14 GLU HA 1.0 . 3.67 343 290 A 58 LEU HDx% A 14 GLU HA 1.0 . 5.71 344 291 A 14 GLU HA A 58 LEU HDy% 1.0 . 4.98 345 292 A 14 GLU HA A 58 LEU HDy% 1.0 . 4.42 346 292 A 58 LEU HDx% A 14 GLU HA 1.0 . 4.42 347 293 A 59 VAL H A 14 GLU HA 1.0 . 4.54 348 294 A 15 GLY H A 14 GLU HBx 1.0 . 4.31 349 295 A 15 GLY H A 14 GLU HBy 1.0 . 4.49 350 296 A 15 GLY H A 14 GLU HGx 1.0 . 5.33 351 297 A 59 VAL H A 14 GLU HGx 1.0 . 5.50 352 298 A 15 GLY H A 14 GLU HGy 1.0 . 5.33 353 299 A 14 GLU HBx A 58 LEU HDy% 1.0 . 4.03 354 299 A 14 GLU HBy A 58 LEU HDy% 1.0 . 4.03 355 299 A 58 LEU HDx% A 14 GLU HBy 1.0 . 4.03 356 299 A 58 LEU HDx% A 14 GLU HBx 1.0 . 4.03 357 300 A 14 GLU HGy A 58 LEU HDy% 1.0 . 4.80 358 300 A 14 GLU HGx A 58 LEU HDy% 1.0 . 4.80 359 300 A 58 LEU HDx% A 14 GLU HGx 1.0 . 4.80 360 300 A 58 LEU HDx% A 14 GLU HGy 1.0 . 4.80 361 301 A 15 GLY H A 16 ALA H 1.0 . 4.34 362 302 A 15 GLY H A 56 ARG HA 1.0 . 4.43 363 303 A 15 GLY H A 56 ARG HBx 1.0 . 5.21 364 304 A 15 GLY H A 56 ARG HBy 1.0 . 4.96 365 305 A 15 GLY H A 57 VAL H 1.0 . 3.96 366 306 A 15 GLY H A 57 VAL HGy% 1.0 . 4.44 367 306 A 15 GLY H A 57 VAL HGx% 1.0 . 4.44 368 307 A 58 LEU HA A 15 GLY H 1.0 . 4.97 369 308 A 15 GLY H A 58 LEU HDy% 1.0 . 5.56 370 308 A 58 LEU HDx% A 15 GLY H 1.0 . 5.56 371 309 A 59 VAL H A 15 GLY H 1.0 . 6.01 372 310 A 16 ALA H A 15 GLY HAy 1.0 . 3.34 373 311 A 30 LEU HA A 15 GLY HAy 1.0 . 3.75 374 312 A 30 LEU HDx% A 15 GLY HAy 1.0 . 4.68 375 313 A 15 GLY HAy A 30 LEU HDy% 1.0 . 5.41 376 314 A 16 ALA H A 15 GLY HAx 1.0 . 3.34 377 315 A 30 LEU HA A 15 GLY HAx 1.0 . 3.75 378 316 A 30 LEU HDx% A 15 GLY HAx 1.0 . 4.68 379 317 A 15 GLY HAx A 30 LEU HDy% 1.0 . 5.08 380 318 A 15 GLY HAx A 29 LYS HDy 1.0 . 5.08 381 318 A 15 GLY HAy A 29 LYS HDy 1.0 . 5.08 382 318 A 29 LYS HDx A 15 GLY HAx 1.0 . 5.08 383 318 A 15 GLY HAy A 29 LYS HDx 1.0 . 5.08 384 319 A 30 LEU HA A 15 GLY HAx 1.0 . 3.06 385 319 A 30 LEU HA A 15 GLY HAy 1.0 . 3.06 386 320 A 15 GLY HAx A 56 ARG HBy 1.0 . 4.59 387 320 A 15 GLY HAy A 56 ARG HBy 1.0 . 4.59 388 320 A 56 ARG HBx A 15 GLY HAx 1.0 . 4.59 389 320 A 15 GLY HAy A 56 ARG HBx 1.0 . 4.59 390 321 A 16 ALA H A 16 ALA HB% 1.0 . 4.15 391 322 A 16 ALA H A 17 VAL H 1.0 . 4.61 392 323 A 16 ALA H A 28 VAL HB 1.0 . 5.76 393 324 A 16 ALA H A 28 VAL HGy% 1.0 . 5.25 394 325 A 16 ALA H A 28 VAL HGy% 1.0 . 4.17 395 325 A 16 ALA H A 28 VAL HGx% 1.0 . 4.17 396 326 A 16 ALA H A 29 LYS H 1.0 . 4.37 397 327 A 30 LEU HA A 16 ALA H 1.0 . 4.00 398 328 A 17 VAL H A 16 ALA HA 1.0 . 3.08 399 329 A 16 ALA HA A 28 VAL HGy% 1.0 . 5.25 400 330 A 16 ALA HA A 28 VAL HGy% 1.0 . 4.34 401 330 A 28 VAL HGx% A 16 ALA HA 1.0 . 4.34 402 331 A 56 ARG HA A 16 ALA HA 1.0 . 3.35 403 332 A 56 ARG HBx A 16 ALA HA 1.0 . 5.26 404 333 A 16 ALA HA A 56 ARG HBy 1.0 . 4.62 405 334 A 16 ALA HA A 56 ARG HDx 1.0 . 4.45 406 335 A 16 ALA HA A 56 ARG HDy 1.0 . 4.45 407 336 A 57 VAL H A 16 ALA HA 1.0 . 3.94 408 337 A 16 ALA HB% A 17 VAL H 1.0 . 4.38 409 338 A 16 ALA HB% A 28 VAL HB 1.0 . 5.89 410 339 A 16 ALA HB% A 54 GLY HAy 1.0 . 4.99 411 340 A 16 ALA HB% A 54 GLY HAx 1.0 . 5.95 412 341 A 56 ARG HA A 16 ALA HB% 1.0 . 4.36 413 342 A 16 ALA HB% A 56 ARG HDx 1.0 . 4.32 414 342 A 16 ALA HB% A 56 ARG HDy 1.0 . 4.32 415 343 A 57 VAL H A 16 ALA HB% 1.0 . 5.06 416 344 A 17 VAL H A 17 VAL HB 1.0 . 3.30 417 345 A 17 VAL H A 17 VAL HGx% 1.0 . 4.77 418 346 A 17 VAL H A 17 VAL HGy% 1.0 . 4.77 419 347 A 17 VAL H A 17 VAL HGy% 1.0 . 3.89 420 347 A 17 VAL H A 17 VAL HGx% 1.0 . 3.89 421 348 A 17 VAL H A 18 THR H 1.0 . 4.75 422 349 A 17 VAL H A 55 ASP H 1.0 . 4.78 423 350 A 17 VAL H A 55 ASP HBx 1.0 . 5.46 424 350 A 17 VAL H A 55 ASP HBy 1.0 . 5.46 425 351 A 56 ARG HA A 17 VAL H 1.0 . 4.03 426 352 A 17 VAL H A 56 ARG HBy 1.0 . 6.15 427 353 A 17 VAL H A 57 VAL HGy% 1.0 . 4.79 428 353 A 57 VAL HGx% A 17 VAL H 1.0 . 4.79 429 354 A 17 VAL HA A 27 ARG HBy 1.0 . 5.62 430 355 A 29 LYS H A 17 VAL HA 1.0 . 4.56 431 356 A 17 VAL HB A 18 THR H 1.0 . 5.27 432 357 A 17 VAL HB A 51 ILE HG2% 1.0 . 4.57 433 358 A 17 VAL HB A 53 ILE HA 1.0 . 4.32 434 359 A 17 VAL HGx% A 18 THR H 1.0 . 5.04 435 360 A 17 VAL HGx% A 53 ILE HA 1.0 . 4.59 436 361 A 17 VAL HGx% A 53 ILE HB 1.0 . 5.00 437 362 A 18 THR H A 17 VAL HGy% 1.0 . 5.04 438 363 A 19 ALA HA A 17 VAL HGy% 1.0 . 4.70 439 364 A 53 ILE HA A 17 VAL HGy% 1.0 . 4.59 440 365 A 53 ILE HB A 17 VAL HGy% 1.0 . 4.36 441 366 A 19 ALA H A 17 VAL HGy% 1.0 . 4.08 442 366 A 17 VAL HGx% A 19 ALA H 1.0 . 4.08 443 367 A 19 ALA HA A 17 VAL HGy% 1.0 . 3.77 444 367 A 17 VAL HGx% A 19 ALA HA 1.0 . 3.77 445 368 A 19 ALA HB% A 17 VAL HGy% 1.0 . 4.88 446 368 A 17 VAL HGx% A 19 ALA HB% 1.0 . 4.88 447 369 A 20 LEU HA A 17 VAL HGy% 1.0 . 4.80 448 369 A 17 VAL HGx% A 20 LEU HA 1.0 . 4.80 449 370 A 17 VAL HGy% A 20 LEU HBy 1.0 . 4.70 450 370 A 17 VAL HGx% A 20 LEU HBy 1.0 . 4.70 451 370 A 20 LEU HBx A 17 VAL HGy% 1.0 . 4.70 452 370 A 17 VAL HGx% A 20 LEU HBx 1.0 . 4.70 453 371 A 27 ARG H A 17 VAL HGy% 1.0 . 4.65 454 371 A 17 VAL HGx% A 27 ARG H 1.0 . 4.65 455 372 A 29 LYS H A 17 VAL HGy% 1.0 . 5.68 456 372 A 29 LYS H A 17 VAL HGx% 1.0 . 5.68 457 373 A 53 ILE HA A 17 VAL HGy% 1.0 . 3.75 458 373 A 17 VAL HGx% A 53 ILE HA 1.0 . 3.75 459 374 A 53 ILE HB A 17 VAL HGy% 1.0 . 3.88 460 374 A 17 VAL HGx% A 53 ILE HB 1.0 . 3.88 461 375 A 53 ILE HD1% A 17 VAL HGy% 1.0 . 4.41 462 375 A 17 VAL HGx% A 53 ILE HD1% 1.0 . 4.41 463 376 A 53 ILE HG2% A 17 VAL HGy% 1.0 . 4.41 464 376 A 17 VAL HGx% A 53 ILE HG2% 1.0 . 4.41 465 377 A 55 ASP HA A 17 VAL HGy% 1.0 . 4.99 466 377 A 17 VAL HGx% A 55 ASP HA 1.0 . 4.99 467 378 A 18 THR H A 18 THR HB 1.0 . 3.63 468 379 A 18 THR H A 18 THR HG2% 1.0 . 5.02 469 380 A 18 THR H A 19 ALA H 1.0 . 3.07 470 381 A 18 THR H A 27 ARG H 1.0 . 4.47 471 382 A 18 THR H A 27 ARG HBx 1.0 . 5.83 472 383 A 18 THR H A 28 VAL HA 1.0 . 4.34 473 384 A 29 LYS H A 18 THR H 1.0 . 4.55 474 385 A 18 THR HB A 18 THR HA 1.0 . 2.82 475 386 A 18 THR HG2% A 18 THR HA 1.0 . 3.88 476 387 A 18 THR HA A 28 VAL HGy% 1.0 . 5.45 477 387 A 28 VAL HGx% A 18 THR HA 1.0 . 5.45 478 388 A 53 ILE HG2% A 18 THR HA 1.0 . 3.81 479 389 A 19 ALA H A 18 THR HB 1.0 . 4.33 480 390 A 29 LYS H A 18 THR HB 1.0 . 5.18 481 391 A 53 ILE HG2% A 18 THR HB 1.0 . 4.72 482 392 A 19 ALA H A 18 THR HG2% 1.0 . 4.94 483 393 A 27 ARG H A 18 THR HG2% 1.0 . 5.60 484 394 A 18 THR HG2% A 28 VAL HA 1.0 . 4.66 485 395 A 28 VAL HB A 18 THR HG2% 1.0 . 4.32 486 396 A 29 LYS H A 18 THR HG2% 1.0 . 4.37 487 397 A 18 THR HG2% A 29 LYS HDy 1.0 . 4.70 488 398 A 29 LYS HDx A 18 THR HG2% 1.0 . 4.92 489 399 A 18 THR HG2% A 29 LYS HBx 1.0 . 5.31 490 399 A 18 THR HG2% A 29 LYS HBy 1.0 . 5.31 491 400 A 53 ILE HD1% A 18 THR HG2% 1.0 . 5.35 492 401 A 53 ILE HG2% A 18 THR HG2% 1.0 . 4.78 493 402 A 19 ALA H A 19 ALA HB% 1.0 . 4.20 494 403 A 19 ALA H A 20 LEU H 1.0 . 4.37 495 404 A 19 ALA H A 26 PHE HA 1.0 . 5.61 496 405 A 19 ALA H A 27 ARG H 1.0 . 3.55 497 406 A 19 ALA H A 28 VAL HA 1.0 . 4.92 498 407 A 28 VAL HGx% A 19 ALA H 1.0 . 5.52 499 408 A 19 ALA H A 28 VAL HGy% 1.0 . 6.40 500 409 A 19 ALA H A 28 VAL HGy% 1.0 . 4.47 501 409 A 28 VAL HGx% A 19 ALA H 1.0 . 4.47 502 410 A 53 ILE HA A 19 ALA HA 1.0 . 5.42 503 411 A 53 ILE HB A 19 ALA HA 1.0 . 5.10 504 412 A 19 ALA HB% A 20 LEU H 1.0 . 4.15 505 413 A 20 LEU HA A 20 LEU H 1.0 . 2.92 506 414 A 20 LEU HBx A 20 LEU H 1.0 . 3.95 507 415 A 20 LEU H A 20 LEU HBy 1.0 . 3.68 508 416 A 20 LEU H A 20 LEU HG 1.0 . 3.68 509 417 A 20 LEU H A 20 LEU HDx% 1.0 . 4.55 510 418 A 20 LEU H A 20 LEU HDy% 1.0 . 4.55 511 419 A 20 LEU H A 21 LEU H 1.0 . 4.37 512 420 A 20 LEU HA A 20 LEU HG 1.0 . 3.52 513 421 A 20 LEU HA A 20 LEU HDx% 1.0 . 4.51 514 422 A 20 LEU HA A 20 LEU HDy% 1.0 . 4.51 515 423 A 20 LEU HA A 20 LEU HDy% 1.0 . 3.89 516 423 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.89 517 424 A 20 LEU HA A 21 LEU H 1.0 . 3.14 518 425 A 20 LEU HA A 21 LEU HA 1.0 . 5.17 519 426 A 20 LEU HA A 21 LEU HBx 1.0 . 4.05 520 426 A 20 LEU HA A 21 LEU HBy 1.0 . 4.05 521 427 A 20 LEU HA A 25 GLU H 1.0 . 5.22 522 428 A 20 LEU HA A 26 PHE HA 1.0 . 3.50 523 429 A 20 LEU HA A 27 ARG H 1.0 . 4.68 524 430 A 20 LEU HBx A 20 LEU HG 1.0 . 2.40 525 431 A 20 LEU HBx A 21 LEU H 1.0 . 4.26 526 432 A 20 LEU HBx A 21 LEU HA 1.0 . 4.87 527 433 A 20 LEU HBx A 25 GLU H 1.0 . 3.68 528 434 A 20 LEU HBx A 27 ARG H 1.0 . 5.47 529 435 A 20 LEU HG A 20 LEU HBy 1.0 . 3.02 530 436 A 21 LEU H A 20 LEU HBy 1.0 . 4.26 531 437 A 21 LEU HA A 20 LEU HBy 1.0 . 5.88 532 438 A 25 GLU H A 20 LEU HBy 1.0 . 5.46 533 439 A 27 ARG H A 20 LEU HBy 1.0 . 5.47 534 440 A 20 LEU HG A 21 LEU H 1.0 . 4.26 535 441 A 20 LEU HG A 21 LEU HA 1.0 . 4.10 536 442 A 20 LEU HG A 21 LEU HBx 1.0 . 4.70 537 442 A 20 LEU HG A 21 LEU HBy 1.0 . 4.70 538 443 A 20 LEU HBx A 21 LEU HBx 1.0 . 4.84 539 443 A 20 LEU HBy A 21 LEU HBx 1.0 . 4.84 540 443 A 21 LEU HBy A 20 LEU HBy 1.0 . 4.84 541 443 A 20 LEU HBx A 21 LEU HBy 1.0 . 4.84 542 444 A 23 ALA HB% A 20 LEU HBy 1.0 . 6.58 543 444 A 20 LEU HBx A 23 ALA HB% 1.0 . 6.58 544 445 A 21 LEU H A 20 LEU HDx% 1.0 . 5.33 545 446 A 20 LEU HDx% A 21 LEU HA 1.0 . 5.08 546 447 A 26 PHE HA A 20 LEU HDx% 1.0 . 5.00 547 448 A 27 ARG H A 20 LEU HDx% 1.0 . 5.87 548 449 A 21 LEU H A 20 LEU HDy% 1.0 . 5.33 549 450 A 21 LEU HA A 20 LEU HDy% 1.0 . 5.08 550 451 A 26 PHE HA A 20 LEU HDy% 1.0 . 5.00 551 452 A 27 ARG H A 20 LEU HDy% 1.0 . 5.47 552 453 A 20 LEU HDy% A 21 LEU HBx 1.0 . 4.62 553 453 A 20 LEU HDx% A 21 LEU HBx 1.0 . 4.62 554 453 A 21 LEU HBy A 20 LEU HDy% 1.0 . 4.62 555 453 A 20 LEU HDx% A 21 LEU HBy 1.0 . 4.62 556 454 A 20 LEU HDy% A 26 PHE HBy 1.0 . 4.43 557 454 A 20 LEU HDx% A 26 PHE HBy 1.0 . 4.43 558 454 A 26 PHE HBx A 20 LEU HDy% 1.0 . 4.43 559 454 A 20 LEU HDx% A 26 PHE HBx 1.0 . 4.43 560 455 A 21 LEU H A 21 LEU HBy 1.0 . 3.85 561 456 A 21 LEU H A 21 LEU HBx 1.0 . 3.85 562 457 A 21 LEU H A 21 LEU HG 1.0 . 4.63 563 458 A 21 LEU H A 21 LEU HBx 1.0 . 3.30 564 458 A 21 LEU H A 21 LEU HBy 1.0 . 3.30 565 459 A 21 LEU H A 25 GLU H 1.0 . 4.54 566 460 A 26 PHE HA A 21 LEU H 1.0 . 3.88 567 461 A 21 LEU H A 26 PHE HBy 1.0 . 5.34 568 461 A 21 LEU H A 26 PHE HBx 1.0 . 5.34 569 462 A 21 LEU HA A 21 LEU HG 1.0 . 4.22 570 463 A 21 LEU HA A 23 ALA H 1.0 . 4.24 571 464 A 21 LEU HG A 23 ALA H 1.0 . 4.45 572 465 A 23 ALA H A 22 PRO HA 1.0 . 3.32 573 466 A 22 PRO HA A 24 ALA H 1.0 . 4.08 574 467 A 23 ALA H A 22 PRO HBx 1.0 . 4.23 575 468 A 24 ALA H A 22 PRO HBx 1.0 . 5.29 576 469 A 23 ALA H A 22 PRO HBy 1.0 . 4.65 577 470 A 24 ALA H A 22 PRO HBy 1.0 . 5.68 578 471 A 23 ALA H A 22 PRO HGx 1.0 . 4.61 579 472 A 24 ALA H A 22 PRO HGx 1.0 . 5.90 580 473 A 23 ALA H A 22 PRO HGy 1.0 . 5.10 581 474 A 23 ALA H A 24 ALA H 1.0 . 3.34 582 475 A 23 ALA H A 24 ALA HA 1.0 . 4.73 583 476 A 25 GLU H A 23 ALA H 1.0 . 4.67 584 477 A 23 ALA HA A 25 GLU HBy 1.0 . 5.27 585 477 A 23 ALA HA A 25 GLU HBx 1.0 . 5.27 586 478 A 23 ALA HB% A 24 ALA H 1.0 . 4.38 587 479 A 23 ALA HB% A 24 ALA HA 1.0 . 4.95 588 480 A 23 ALA HB% A 25 GLU HBx 1.0 . 4.59 589 481 A 23 ALA HB% A 25 GLU HBy 1.0 . 4.35 590 482 A 24 ALA H A 24 ALA HA 1.0 . 2.61 591 483 A 25 GLU H A 24 ALA H 1.0 . 3.28 592 484 A 25 GLU H A 24 ALA HA 1.0 . 3.20 593 485 A 25 GLU H A 24 ALA HB% 1.0 . 4.63 594 486 A 25 GLU H A 25 GLU HBx 1.0 . 3.94 595 487 A 25 GLU H A 25 GLU HBy 1.0 . 3.63 596 488 A 25 GLU H A 25 GLU HGx 1.0 . 4.23 597 489 A 25 GLU H A 25 GLU HGy 1.0 . 4.74 598 490 A 25 GLU H A 26 PHE H 1.0 . 4.40 599 491 A 25 GLU HGx A 25 GLU HA 1.0 . 3.94 600 492 A 25 GLU HGy A 25 GLU HA 1.0 . 3.94 601 493 A 26 PHE H A 25 GLU HA 1.0 . 3.42 602 494 A 25 GLU HA A 39 HIS HA 1.0 . 4.17 603 495 A 25 GLU HBx A 26 PHE H 1.0 . 4.28 604 496 A 26 PHE H A 25 GLU HBy 1.0 . 4.28 605 497 A 25 GLU HGx A 26 PHE H 1.0 . 5.50 606 498 A 25 GLU HGx A 39 HIS HA 1.0 . 5.64 607 499 A 25 GLU HGy A 26 PHE H 1.0 . 5.50 608 500 A 25 GLU HGy A 39 HIS HA 1.0 . 4.73 609 501 A 26 PHE HBx A 26 PHE H 1.0 . 4.15 610 502 A 26 PHE H A 26 PHE HBy 1.0 . 4.15 611 503 A 26 PHE H A 26 PHE HDx 1.0 . 4.93 612 504 A 26 PHE H A 26 PHE HDy 1.0 . 4.23 613 505 A 26 PHE H A 26 PHE HEx 1.0 . 5.93 614 506 A 26 PHE H A 26 PHE HEy 1.0 . 5.50 615 507 A 27 ARG H A 26 PHE H 1.0 . 4.56 616 508 A 26 PHE H A 37 ILE HG2% 1.0 . 5.41 617 509 A 26 PHE H A 38 CYS H 1.0 . 4.96 618 510 A 26 PHE H A 38 CYS HBx 1.0 . 4.24 619 510 A 26 PHE H A 38 CYS HBy 1.0 . 4.24 620 511 A 26 PHE H A 39 HIS HA 1.0 . 5.06 621 512 A 26 PHE HA A 26 PHE HDx 1.0 . 3.97 622 513 A 26 PHE HA A 26 PHE HDy 1.0 . 4.63 623 514 A 26 PHE HA A 26 PHE HEx 1.0 . 5.96 624 515 A 26 PHE HA A 26 PHE HEy 1.0 . 5.85 625 516 A 27 ARG H A 26 PHE HA 1.0 . 2.40 626 517 A 27 ARG H A 26 PHE HBx 1.0 . 5.05 627 518 A 27 ARG H A 26 PHE HBy 1.0 . 5.05 628 519 A 27 ARG H A 26 PHE HDx 1.0 . 5.18 629 520 A 27 ARG H A 26 PHE HDy 1.0 . 5.70 630 521 A 26 PHE HDy A 40 VAL H 1.0 . 5.11 631 522 A 26 PHE HEx A 51 ILE H 1.0 . 5.71 632 523 A 26 PHE HEy A 40 VAL H 1.0 . 5.29 633 524 A 26 PHE HEy A 51 ILE H 1.0 . 6.00 634 525 A 27 ARG H A 27 ARG HA 1.0 . 2.90 635 526 A 27 ARG H A 27 ARG HBx 1.0 . 4.13 636 527 A 27 ARG HBy A 27 ARG H 1.0 . 4.13 637 528 A 27 ARG H A 27 ARG HDx 1.0 . 5.50 638 529 A 27 ARG H A 27 ARG HDy 1.0 . 5.81 639 530 A 27 ARG H A 27 ARG HGx 1.0 . 5.34 640 531 A 27 ARG H A 27 ARG HGy 1.0 . 5.25 641 532 A 27 ARG H A 28 VAL H 1.0 . 4.59 642 533 A 27 ARG H A 38 CYS HBx 1.0 . 5.38 643 533 A 27 ARG H A 38 CYS HBy 1.0 . 5.38 644 534 A 27 ARG HA A 27 ARG HDx 1.0 . 4.59 645 535 A 27 ARG HA A 27 ARG HDy 1.0 . 4.59 646 536 A 27 ARG HA A 27 ARG HGx 1.0 . 4.25 647 537 A 27 ARG HA A 27 ARG HGy 1.0 . 3.95 648 538 A 27 ARG HA A 28 VAL H 1.0 . 3.13 649 539 A 38 CYS H A 27 ARG HA 1.0 . 5.34 650 540 A 27 ARG HBx A 38 CYS H 1.0 . 5.08 651 541 A 27 ARG HBy A 38 CYS H 1.0 . 5.27 652 542 A 28 VAL H A 27 ARG HGx 1.0 . 3.77 653 543 A 38 CYS HA A 27 ARG HGx 1.0 . 5.91 654 544 A 28 VAL H A 27 ARG HGy 1.0 . 4.77 655 545 A 27 ARG HGy A 38 CYS HBx 1.0 . 4.55 656 545 A 27 ARG HGx A 38 CYS HBx 1.0 . 4.55 657 545 A 38 CYS HBy A 27 ARG HGy 1.0 . 4.55 658 545 A 38 CYS HBy A 27 ARG HGx 1.0 . 4.55 659 546 A 28 VAL HB A 28 VAL H 1.0 . 4.03 660 547 A 28 VAL HGx% A 28 VAL H 1.0 . 4.97 661 548 A 28 VAL H A 28 VAL HGy% 1.0 . 4.97 662 549 A 28 VAL H A 28 VAL HGy% 1.0 . 4.16 663 549 A 28 VAL HGx% A 28 VAL H 1.0 . 4.16 664 550 A 29 LYS H A 28 VAL H 1.0 . 4.46 665 551 A 28 VAL H A 35 GLU HBx 1.0 . 5.33 666 552 A 28 VAL H A 35 GLU HBy 1.0 . 4.38 667 553 A 28 VAL H A 36 ILE H 1.0 . 4.65 668 554 A 38 CYS H A 28 VAL H 1.0 . 5.55 669 555 A 28 VAL HGx% A 28 VAL HA 1.0 . 4.10 670 556 A 28 VAL HA A 28 VAL HGy% 1.0 . 4.10 671 557 A 29 LYS H A 28 VAL HA 1.0 . 3.55 672 558 A 28 VAL HA A 57 VAL HGy% 1.0 . 5.42 673 558 A 57 VAL HGx% A 28 VAL HA 1.0 . 5.42 674 559 A 28 VAL HB A 29 LYS H 1.0 . 2.55 675 560 A 28 VAL HB A 29 LYS HA 1.0 . 4.73 676 561 A 28 VAL HB A 29 LYS HBx 1.0 . 6.31 677 562 A 28 VAL HB A 29 LYS HBy 1.0 . 5.79 678 563 A 28 VAL HB A 29 LYS HDy 1.0 . 4.39 679 564 A 29 LYS HDx A 28 VAL HB 1.0 . 4.01 680 565 A 28 VAL HGx% A 29 LYS H 1.0 . 4.96 681 566 A 29 LYS H A 28 VAL HGy% 1.0 . 4.96 682 567 A 29 LYS H A 28 VAL HGy% 1.0 . 4.20 683 567 A 28 VAL HGx% A 29 LYS H 1.0 . 4.20 684 568 A 29 LYS H A 29 LYS HA 1.0 . 2.95 685 569 A 29 LYS H A 29 LYS HBx 1.0 . 3.81 686 570 A 29 LYS H A 29 LYS HBy 1.0 . 3.56 687 571 A 29 LYS H A 29 LYS HEx 1.0 . 5.50 688 572 A 29 LYS H A 29 LYS HEy 1.0 . 5.50 689 573 A 29 LYS H A 29 LYS HDy 1.0 . 2.92 690 573 A 29 LYS HDx A 29 LYS H 1.0 . 2.92 691 574 A 29 LYS H A 30 LEU H 1.0 . 4.50 692 575 A 29 LYS H A 36 ILE H 1.0 . 6.06 693 576 A 29 LYS HA A 29 LYS HBx 1.0 . 2.40 694 577 A 29 LYS HBy A 29 LYS HA 1.0 . 2.40 695 578 A 29 LYS HA A 29 LYS HDy 1.0 . 4.38 696 579 A 29 LYS HDx A 29 LYS HA 1.0 . 3.92 697 580 A 29 LYS HA A 29 LYS HEx 1.0 . 5.90 698 581 A 29 LYS HA A 29 LYS HEy 1.0 . 5.96 699 582 A 29 LYS HA A 34 HIS H 1.0 . 5.23 700 583 A 29 LYS HBx A 29 LYS HDy 1.0 . 3.76 701 584 A 29 LYS HDx A 29 LYS HBx 1.0 . 3.89 702 585 A 29 LYS HEx A 29 LYS HBx 1.0 . 4.88 703 586 A 29 LYS HBx A 29 LYS HEy 1.0 . 4.88 704 587 A 29 LYS HBy A 29 LYS HDy 1.0 . 3.43 705 588 A 29 LYS HDx A 29 LYS HBy 1.0 . 3.96 706 589 A 29 LYS HBy A 29 LYS HEx 1.0 . 4.88 707 590 A 29 LYS HBy A 29 LYS HEy 1.0 . 4.88 708 591 A 29 LYS HDy A 29 LYS HEy 1.0 . 2.19 709 591 A 29 LYS HDx A 29 LYS HEy 1.0 . 2.19 710 591 A 29 LYS HEx A 29 LYS HDy 1.0 . 2.19 711 591 A 29 LYS HDx A 29 LYS HEx 1.0 . 2.19 712 592 A 30 LEU H A 29 LYS HDy 1.0 . 4.33 713 592 A 29 LYS HDx A 30 LEU H 1.0 . 4.33 714 593 A 34 HIS H A 29 LYS HDy 1.0 . 6.78 715 593 A 29 LYS HDx A 34 HIS H 1.0 . 6.78 716 594 A 30 LEU H A 30 LEU HG 1.0 . 4.52 717 595 A 30 LEU HDx% A 30 LEU H 1.0 . 5.63 718 596 A 30 LEU H A 30 LEU HDy% 1.0 . 5.63 719 597 A 30 LEU H A 31 ASP H 1.0 . 4.58 720 598 A 30 LEU H A 34 HIS H 1.0 . 5.27 721 599 A 30 LEU H A 34 HIS HBy 1.0 . 4.52 722 599 A 30 LEU H A 34 HIS HBx 1.0 . 4.52 723 600 A 30 LEU HA A 30 LEU HG 1.0 . 3.80 724 601 A 30 LEU HA A 30 LEU HDx% 1.0 . 4.23 725 602 A 30 LEU HA A 30 LEU HDy% 1.0 . 4.23 726 603 A 30 LEU HA A 31 ASP H 1.0 . 3.39 727 604 A 30 LEU HG A 33 GLU H 1.0 . 4.38 728 605 A 30 LEU HDx% A 31 ASP H 1.0 . 5.28 729 606 A 31 ASP H A 30 LEU HDy% 1.0 . 5.28 730 607 A 31 ASP H A 31 ASP HBy 1.0 . 3.62 731 608 A 31 ASP H A 31 ASP HBx 1.0 . 3.62 732 609 A 31 ASP H A 31 ASP HBx 1.0 . 3.16 733 609 A 31 ASP H A 31 ASP HBy 1.0 . 3.16 734 610 A 31 ASP H A 32 ASN H 1.0 . 4.41 735 611 A 31 ASP H A 33 GLU H 1.0 . 5.14 736 612 A 33 GLU H A 32 ASN H 1.0 . 3.95 737 613 A 32 ASN HA A 32 ASN HBy 1.0 . 2.93 738 614 A 32 ASN HA A 32 ASN HBx 1.0 . 2.93 739 615 A 33 GLU H A 32 ASN HBy 1.0 . 4.34 740 616 A 33 GLU H A 32 ASN HBx 1.0 . 4.34 741 617 A 33 GLU H A 32 ASN HBx 1.0 . 3.76 742 617 A 33 GLU H A 32 ASN HBy 1.0 . 3.76 743 618 A 33 GLU H A 33 GLU HBx 1.0 . 3.90 744 619 A 33 GLU H A 33 GLU HBy 1.0 . 3.90 745 620 A 33 GLU H A 33 GLU HGy 1.0 . 3.65 746 620 A 33 GLU H A 33 GLU HGx 1.0 . 3.65 747 621 A 34 HIS H A 33 GLU H 1.0 . 3.61 748 622 A 33 GLU HA A 33 GLU HGy 1.0 . 3.28 749 622 A 33 GLU HGx A 33 GLU HA 1.0 . 3.28 750 623 A 33 GLU HBy A 33 GLU HGy 1.0 . 2.23 751 623 A 33 GLU HBx A 33 GLU HGy 1.0 . 2.23 752 623 A 33 GLU HGx A 33 GLU HBy 1.0 . 2.23 753 623 A 33 GLU HGx A 33 GLU HBx 1.0 . 2.23 754 624 A 35 GLU HA A 35 GLU HGx 1.0 . 4.10 755 625 A 35 GLU HA A 35 GLU HGy 1.0 . 4.10 756 626 A 36 ILE H A 35 GLU HA 1.0 . 3.20 757 627 A 35 GLU HBx A 35 GLU HGx 1.0 . 3.00 758 628 A 35 GLU HBx A 35 GLU HGy 1.0 . 3.00 759 629 A 35 GLU HBx A 36 ILE H 1.0 . 4.81 760 630 A 35 GLU HBy A 35 GLU HGx 1.0 . 3.00 761 631 A 35 GLU HBy A 35 GLU HGy 1.0 . 3.00 762 632 A 35 GLU HBy A 36 ILE H 1.0 . 4.81 763 633 A 36 ILE H A 35 GLU HGx 1.0 . 5.12 764 634 A 36 ILE H A 35 GLU HGy 1.0 . 5.12 765 635 A 36 ILE H A 36 ILE HB 1.0 . 3.96 766 636 A 36 ILE H A 36 ILE HG1x 1.0 . 4.90 767 637 A 36 ILE H A 36 ILE HG1y 1.0 . 4.30 768 638 A 36 ILE H A 36 ILE HD1% 1.0 . 4.57 769 639 A 36 ILE H A 36 ILE HG2% 1.0 . 4.82 770 640 A 36 ILE H A 37 ILE H 1.0 . 4.53 771 641 A 36 ILE HG1x A 36 ILE HA 1.0 . 3.70 772 642 A 36 ILE HG1y A 36 ILE HA 1.0 . 3.70 773 643 A 36 ILE HD1% A 36 ILE HA 1.0 . 4.21 774 644 A 37 ILE H A 36 ILE HA 1.0 . 3.25 775 645 A 36 ILE HB A 37 ILE H 1.0 . 3.52 776 646 A 36 ILE HG1x A 37 ILE H 1.0 . 4.25 777 647 A 36 ILE HG1y A 37 ILE H 1.0 . 4.22 778 648 A 36 ILE HD1% A 37 ILE H 1.0 . 4.68 779 649 A 36 ILE HD1% A 36 ILE HG2% 1.0 . 5.93 780 650 A 37 ILE H A 37 ILE HB 1.0 . 3.86 781 651 A 37 ILE H A 37 ILE HG1y 1.0 . 4.28 782 652 A 37 ILE H A 37 ILE HG1x 1.0 . 3.90 783 653 A 37 ILE H A 37 ILE HD1% 1.0 . 5.72 784 654 A 37 ILE H A 37 ILE HG1x 1.0 . 3.39 785 654 A 37 ILE H A 37 ILE HG1y 1.0 . 3.39 786 655 A 37 ILE HG2% A 37 ILE H 1.0 . 4.73 787 656 A 38 CYS H A 37 ILE H 1.0 . 4.84 788 657 A 37 ILE H A 70 LYS H 1.0 . 5.68 789 658 A 37 ILE H A 70 LYS HA 1.0 . 4.42 790 659 A 37 ILE HG1y A 37 ILE HA 1.0 . 4.04 791 660 A 37 ILE HA A 37 ILE HG1x 1.0 . 4.04 792 661 A 37 ILE HD1% A 37 ILE HA 1.0 . 4.72 793 662 A 37 ILE HB A 37 ILE HG1x 1.0 . 2.60 794 662 A 37 ILE HB A 37 ILE HG1y 1.0 . 2.60 795 663 A 38 CYS H A 37 ILE HG1y 1.0 . 4.79 796 664 A 38 CYS H A 37 ILE HG1x 1.0 . 4.79 797 665 A 38 CYS H A 37 ILE HG1x 1.0 . 4.24 798 665 A 38 CYS H A 37 ILE HG1y 1.0 . 4.24 799 666 A 37 ILE HG2% A 37 ILE HG1y 1.0 . 3.86 800 667 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 3.86 801 668 A 37 ILE HG2% A 37 ILE HD1% 1.0 . 4.44 802 669 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 3.36 803 669 A 37 ILE HG2% A 37 ILE HG1y 1.0 . 3.36 804 670 A 37 ILE HG2% A 38 CYS H 1.0 . 4.40 805 671 A 38 CYS H A 38 CYS HBx 1.0 . 3.69 806 671 A 38 CYS H A 38 CYS HBy 1.0 . 3.69 807 672 A 38 CYS H A 39 HIS H 1.0 . 5.10 808 673 A 38 CYS HA A 39 HIS H 1.0 . 3.55 809 674 A 38 CYS HA A 70 LYS HBx 1.0 . 5.27 810 675 A 38 CYS HA A 70 LYS HBy 1.0 . 5.27 811 676 A 38 CYS HA A 70 LYS HDy 1.0 . 4.90 812 676 A 38 CYS HA A 70 LYS HDx 1.0 . 4.90 813 677 A 38 CYS HBy A 39 HIS H 1.0 . 4.53 814 678 A 39 HIS H A 38 CYS HBx 1.0 . 4.53 815 679 A 39 HIS H A 38 CYS HBx 1.0 . 3.86 816 679 A 38 CYS HBy A 39 HIS H 1.0 . 3.86 817 680 A 39 HIS H A 39 HIS HD1 1.0 . 5.50 818 681 A 40 VAL H A 39 HIS H 1.0 . 4.90 819 682 A 70 LYS HA A 39 HIS H 1.0 . 4.90 820 683 A 39 HIS H A 71 GLY HAx 1.0 . 4.39 821 683 A 39 HIS H A 71 GLY HAy 1.0 . 4.39 822 684 A 39 HIS H A 72 ARG H 1.0 . 5.50 823 685 A 39 HIS H A 72 ARG HA 1.0 . 4.85 824 686 A 39 HIS H A 73 ILE H 1.0 . 4.71 825 687 A 39 HIS HA A 39 HIS HD1 1.0 . 5.50 826 688 A 39 HIS HA A 40 VAL H 1.0 . 3.36 827 689 A 40 VAL H A 39 HIS HBy 1.0 . 4.53 828 690 A 40 VAL H A 39 HIS HBx 1.0 . 4.45 829 691 A 40 VAL H A 39 HIS HBx 1.0 . 3.53 830 691 A 40 VAL H A 39 HIS HBy 1.0 . 3.53 831 692 A 40 VAL H A 40 VAL HB 1.0 . 3.74 832 693 A 40 VAL H A 40 VAL HGx% 1.0 . 4.52 833 694 A 40 VAL H A 40 VAL HGy% 1.0 . 4.52 834 695 A 40 VAL H A 41 SER H 1.0 . 4.88 835 696 A 40 VAL HA A 40 VAL HGx% 1.0 . 3.61 836 697 A 40 VAL HA A 40 VAL HGy% 1.0 . 3.61 837 698 A 41 SER H A 40 VAL HA 1.0 . 3.20 838 699 A 40 VAL HA A 44 VAL HGx% 1.0 . 4.78 839 700 A 40 VAL HA A 44 VAL HGy% 1.0 . 4.78 840 701 A 40 VAL HA A 44 VAL HGy% 1.0 . 3.78 841 701 A 40 VAL HA A 44 VAL HGx% 1.0 . 3.78 842 702 A 72 ARG HA A 40 VAL HA 1.0 . 4.18 843 703 A 40 VAL HA A 72 ARG HBx 1.0 . 5.71 844 704 A 40 VAL HA A 72 ARG HBy 1.0 . 6.06 845 705 A 40 VAL HB A 41 SER H 1.0 . 3.41 846 706 A 40 VAL HB A 44 VAL HGy% 1.0 . 4.01 847 706 A 40 VAL HB A 44 VAL HGx% 1.0 . 4.01 848 707 A 40 VAL HB A 45 ARG HA 1.0 . 4.20 849 708 A 40 VAL HB A 45 ARG HBy 1.0 . 4.00 850 708 A 40 VAL HB A 45 ARG HBx 1.0 . 4.00 851 709 A 41 SER H A 40 VAL HGx% 1.0 . 4.85 852 710 A 45 ARG H A 40 VAL HGx% 1.0 . 5.66 853 711 A 45 ARG HA A 40 VAL HGx% 1.0 . 4.82 854 712 A 41 SER H A 40 VAL HGy% 1.0 . 4.85 855 713 A 45 ARG H A 40 VAL HGy% 1.0 . 5.66 856 714 A 45 ARG HA A 40 VAL HGy% 1.0 . 4.82 857 715 A 44 VAL H A 40 VAL HGy% 1.0 . 5.54 858 715 A 40 VAL HGx% A 44 VAL H 1.0 . 5.54 859 716 A 44 VAL HA A 40 VAL HGy% 1.0 . 4.93 860 716 A 40 VAL HGx% A 44 VAL HA 1.0 . 4.93 861 717 A 44 VAL HB A 40 VAL HGy% 1.0 . 3.95 862 717 A 40 VAL HGx% A 44 VAL HB 1.0 . 3.95 863 718 A 40 VAL HGy% A 44 VAL HGy% 1.0 . 4.62 864 718 A 40 VAL HGx% A 44 VAL HGy% 1.0 . 4.62 865 718 A 44 VAL HGx% A 40 VAL HGy% 1.0 . 4.62 866 718 A 44 VAL HGx% A 40 VAL HGx% 1.0 . 4.62 867 719 A 45 ARG H A 40 VAL HGy% 1.0 . 4.85 868 719 A 45 ARG H A 40 VAL HGx% 1.0 . 4.85 869 720 A 45 ARG HA A 40 VAL HGy% 1.0 . 4.06 870 720 A 45 ARG HA A 40 VAL HGx% 1.0 . 4.06 871 721 A 40 VAL HGy% A 72 ARG HBy 1.0 . 5.84 872 721 A 40 VAL HGx% A 72 ARG HBy 1.0 . 5.84 873 721 A 72 ARG HBx A 40 VAL HGy% 1.0 . 5.84 874 721 A 40 VAL HGx% A 72 ARG HBx 1.0 . 5.84 875 722 A 41 SER H A 41 SER HBx 1.0 . 4.07 876 723 A 41 SER H A 41 SER HBy 1.0 . 4.07 877 724 A 41 SER H A 42 GLY H 1.0 . 4.21 878 725 A 41 SER H A 44 VAL H 1.0 . 5.17 879 726 A 41 SER H A 44 VAL HGy% 1.0 . 4.63 880 726 A 41 SER H A 44 VAL HGx% 1.0 . 4.63 881 727 A 72 ARG H A 41 SER H 1.0 . 5.76 882 728 A 41 SER H A 72 ARG HBx 1.0 . 4.31 883 729 A 41 SER H A 72 ARG HBy 1.0 . 4.31 884 730 A 73 ILE H A 41 SER H 1.0 . 4.51 885 731 A 42 GLY H A 41 SER HBx 1.0 . 5.50 886 732 A 42 GLY H A 41 SER HBy 1.0 . 5.50 887 733 A 41 SER HBy A 72 ARG HDx 1.0 . 4.34 888 733 A 41 SER HBx A 72 ARG HDx 1.0 . 4.34 889 733 A 72 ARG HDy A 41 SER HBy 1.0 . 4.34 890 733 A 41 SER HBx A 72 ARG HDy 1.0 . 4.34 891 734 A 41 SER HBy A 72 ARG HGy 1.0 . 4.18 892 734 A 41 SER HBx A 72 ARG HGy 1.0 . 4.18 893 734 A 72 ARG HGx A 41 SER HBy 1.0 . 4.18 894 734 A 41 SER HBx A 72 ARG HGx 1.0 . 4.18 895 735 A 44 VAL H A 42 GLY H 1.0 . 5.08 896 736 A 45 ARG H A 42 GLY HAy 1.0 . 4.65 897 737 A 45 ARG H A 42 GLY HAx 1.0 . 5.01 898 738 A 45 ARG H A 42 GLY HAx 1.0 . 4.28 899 738 A 45 ARG H A 42 GLY HAy 1.0 . 4.28 900 739 A 43 LYS HA A 43 LYS HDx 1.0 . 4.68 901 740 A 43 LYS HA A 43 LYS HDy 1.0 . 4.55 902 741 A 43 LYS HA A 43 LYS HEx 1.0 . 5.23 903 742 A 43 LYS HA A 43 LYS HEy 1.0 . 4.92 904 743 A 43 LYS HA A 46 ARG H 1.0 . 4.15 905 744 A 43 LYS HDx A 43 LYS HBx 1.0 . 3.85 906 745 A 43 LYS HDy A 43 LYS HBx 1.0 . 3.53 907 746 A 43 LYS HEx A 43 LYS HBx 1.0 . 3.25 908 747 A 43 LYS HEy A 43 LYS HBx 1.0 . 3.25 909 748 A 44 VAL H A 43 LYS HBx 1.0 . 4.08 910 749 A 43 LYS HDx A 43 LYS HBy 1.0 . 4.07 911 750 A 43 LYS HDy A 43 LYS HBy 1.0 . 3.90 912 751 A 43 LYS HEx A 43 LYS HBy 1.0 . 3.25 913 752 A 43 LYS HEy A 43 LYS HBy 1.0 . 3.25 914 753 A 44 VAL H A 43 LYS HBy 1.0 . 4.08 915 754 A 43 LYS HDx A 43 LYS HEx 1.0 . 3.01 916 755 A 43 LYS HDx A 43 LYS HEy 1.0 . 2.76 917 756 A 43 LYS HDy A 43 LYS HEx 1.0 . 2.42 918 757 A 43 LYS HDy A 43 LYS HEy 1.0 . 3.02 919 758 A 43 LYS HEx A 43 LYS HGx 1.0 . 3.92 920 759 A 43 LYS HEy A 43 LYS HGx 1.0 . 3.92 921 760 A 43 LYS HGx A 47 SER HA 1.0 . 4.44 922 761 A 43 LYS HEx A 43 LYS HGy 1.0 . 3.92 923 762 A 43 LYS HEy A 43 LYS HGy 1.0 . 3.92 924 763 A 47 SER HA A 43 LYS HGy 1.0 . 4.80 925 764 A 44 VAL H A 44 VAL HB 1.0 . 3.39 926 765 A 44 VAL HGx% A 44 VAL H 1.0 . 4.65 927 766 A 44 VAL H A 44 VAL HGy% 1.0 . 4.65 928 767 A 45 ARG H A 44 VAL H 1.0 . 3.69 929 768 A 44 VAL H A 46 ARG H 1.0 . 4.95 930 769 A 44 VAL H A 47 SER H 1.0 . 4.76 931 770 A 44 VAL HGx% A 44 VAL HA 1.0 . 4.14 932 771 A 44 VAL HA A 44 VAL HGy% 1.0 . 4.14 933 772 A 44 VAL HA A 47 SER H 1.0 . 4.51 934 773 A 44 VAL HA A 47 SER HA 1.0 . 6.10 935 774 A 44 VAL HA A 47 SER HBx 1.0 . 4.73 936 775 A 44 VAL HA A 47 SER HBy 1.0 . 3.81 937 776 A 45 ARG H A 44 VAL HB 1.0 . 4.10 938 777 A 44 VAL HGx% A 45 ARG H 1.0 . 5.67 939 778 A 51 ILE HG2% A 44 VAL HGx% 1.0 . 5.27 940 779 A 45 ARG H A 44 VAL HGy% 1.0 . 5.67 941 780 A 51 ILE HG2% A 44 VAL HGy% 1.0 . 6.12 942 781 A 45 ARG H A 44 VAL HGy% 1.0 . 4.62 943 781 A 44 VAL HGx% A 45 ARG H 1.0 . 4.62 944 782 A 51 ILE HG2% A 44 VAL HGy% 1.0 . 4.80 945 782 A 51 ILE HG2% A 44 VAL HGx% 1.0 . 4.80 946 783 A 45 ARG HBx A 45 ARG H 1.0 . 3.60 947 784 A 45 ARG H A 45 ARG HBy 1.0 . 3.60 948 785 A 45 ARG H A 45 ARG HDx 1.0 . 5.50 949 786 A 45 ARG H A 45 ARG HDy 1.0 . 5.50 950 787 A 45 ARG H A 45 ARG HGx 1.0 . 4.60 951 788 A 45 ARG H A 45 ARG HGy 1.0 . 4.60 952 789 A 45 ARG H A 46 ARG H 1.0 . 4.06 953 790 A 45 ARG H A 47 SER H 1.0 . 4.21 954 791 A 45 ARG HA A 45 ARG HDx 1.0 . 4.30 955 792 A 45 ARG HA A 45 ARG HDy 1.0 . 3.97 956 793 A 45 ARG HA A 45 ARG HGx 1.0 . 3.60 957 794 A 45 ARG HA A 45 ARG HGy 1.0 . 3.60 958 795 A 45 ARG HBx A 45 ARG HDx 1.0 . 3.89 959 796 A 45 ARG HBx A 45 ARG HDy 1.0 . 3.89 960 797 A 45 ARG HBx A 46 ARG H 1.0 . 3.87 961 798 A 45 ARG HDx A 45 ARG HBy 1.0 . 3.89 962 799 A 45 ARG HDy A 45 ARG HBy 1.0 . 3.89 963 800 A 46 ARG H A 45 ARG HBy 1.0 . 3.87 964 801 A 46 ARG H A 45 ARG HDx 1.0 . 3.22 965 802 A 46 ARG H A 45 ARG HDy 1.0 . 3.25 966 803 A 46 ARG H A 45 ARG HGx 1.0 . 4.36 967 804 A 46 ARG H A 45 ARG HGy 1.0 . 4.55 968 805 A 46 ARG H A 46 ARG HBx 1.0 . 3.42 969 806 A 46 ARG H A 46 ARG HBy 1.0 . 3.66 970 807 A 46 ARG H A 46 ARG HDx 1.0 . 2.79 971 808 A 46 ARG H A 46 ARG HDy 1.0 . 2.79 972 809 A 46 ARG H A 46 ARG HGx 1.0 . 4.91 973 810 A 46 ARG H A 46 ARG HGy 1.0 . 4.91 974 811 A 46 ARG H A 47 SER H 1.0 . 3.86 975 812 A 46 ARG HBx A 46 ARG HA 1.0 . 2.96 976 813 A 46 ARG HBy A 46 ARG HA 1.0 . 2.96 977 814 A 46 ARG HDx A 46 ARG HA 1.0 . 4.46 978 815 A 46 ARG HDy A 46 ARG HA 1.0 . 4.39 979 816 A 46 ARG HGx A 46 ARG HA 1.0 . 3.42 980 817 A 46 ARG HGy A 46 ARG HA 1.0 . 4.19 981 818 A 46 ARG HBx A 46 ARG HDx 1.0 . 3.45 982 819 A 46 ARG HBx A 46 ARG HDy 1.0 . 3.99 983 820 A 47 SER H A 46 ARG HBx 1.0 . 4.23 984 821 A 46 ARG HBy A 46 ARG HDx 1.0 . 3.96 985 822 A 46 ARG HBy A 46 ARG HDy 1.0 . 3.45 986 823 A 47 SER H A 46 ARG HBy 1.0 . 4.40 987 824 A 47 SER H A 46 ARG HGx 1.0 . 5.73 988 825 A 47 SER H A 46 ARG HGy 1.0 . 5.29 989 826 A 47 SER H A 47 SER HBx 1.0 . 3.48 990 827 A 47 SER H A 47 SER HBy 1.0 . 3.48 991 828 A 47 SER H A 48 LYS H 1.0 . 4.11 992 829 A 47 SER H A 48 LYS HGx 1.0 . 5.37 993 830 A 47 SER H A 48 LYS HGy 1.0 . 5.37 994 831 A 47 SER HA A 47 SER HBx 1.0 . 2.76 995 832 A 47 SER HA A 47 SER HBy 1.0 . 3.03 996 833 A 47 SER HA A 49 ILE H 1.0 . 5.53 997 834 A 47 SER HBx A 48 LYS H 1.0 . 4.30 998 835 A 47 SER HBy A 48 LYS H 1.0 . 4.30 999 836 A 48 LYS H A 48 LYS HDx 1.0 . 5.37 1000 837 A 48 LYS H A 48 LYS HDy 1.0 . 5.37 1001 838 A 48 LYS H A 48 LYS HEx 1.0 . 5.58 1002 839 A 48 LYS H A 48 LYS HEy 1.0 . 5.22 1003 840 A 48 LYS H A 48 LYS HGx 1.0 . 4.52 1004 841 A 48 LYS H A 48 LYS HGy 1.0 . 4.52 1005 842 A 48 LYS H A 49 ILE H 1.0 . 3.73 1006 843 A 48 LYS H A 49 ILE HD1% 1.0 . 6.04 1007 844 A 48 LYS HDx A 48 LYS HA 1.0 . 4.70 1008 845 A 48 LYS HDy A 48 LYS HA 1.0 . 3.84 1009 846 A 48 LYS HEx A 48 LYS HA 1.0 . 4.68 1010 847 A 48 LYS HEy A 48 LYS HA 1.0 . 5.16 1011 848 A 48 LYS HGx A 48 LYS HA 1.0 . 3.42 1012 849 A 48 LYS HGy A 48 LYS HA 1.0 . 3.42 1013 850 A 49 ILE H A 48 LYS HA 1.0 . 3.56 1014 851 A 48 LYS HDx A 48 LYS HBx 1.0 . 2.92 1015 852 A 48 LYS HDy A 48 LYS HBx 1.0 . 3.28 1016 853 A 48 LYS HEx A 48 LYS HBx 1.0 . 4.86 1017 854 A 48 LYS HEy A 48 LYS HBx 1.0 . 4.50 1018 855 A 49 ILE H A 48 LYS HBx 1.0 . 4.31 1019 856 A 48 LYS HDx A 48 LYS HBy 1.0 . 2.91 1020 857 A 48 LYS HDy A 48 LYS HBy 1.0 . 2.40 1021 858 A 48 LYS HEx A 48 LYS HBy 1.0 . 4.07 1022 859 A 48 LYS HEy A 48 LYS HBy 1.0 . 4.48 1023 860 A 49 ILE H A 48 LYS HBy 1.0 . 4.31 1024 861 A 48 LYS HDx A 48 LYS HEx 1.0 . 2.93 1025 862 A 48 LYS HDx A 48 LYS HEy 1.0 . 2.93 1026 863 A 48 LYS HDy A 48 LYS HEx 1.0 . 2.93 1027 864 A 48 LYS HDy A 48 LYS HEy 1.0 . 2.93 1028 865 A 48 LYS HGx A 48 LYS HEx 1.0 . 3.66 1029 866 A 48 LYS HGx A 48 LYS HEy 1.0 . 3.66 1030 867 A 48 LYS HGy A 48 LYS HEx 1.0 . 3.66 1031 868 A 48 LYS HGy A 48 LYS HEy 1.0 . 3.66 1032 869 A 49 ILE H A 49 ILE HB 1.0 . 3.61 1033 870 A 49 ILE H A 49 ILE HG1x 1.0 . 3.81 1034 871 A 49 ILE H A 49 ILE HG1y 1.0 . 3.81 1035 872 A 49 ILE H A 49 ILE HD1% 1.0 . 4.62 1036 873 A 49 ILE H A 49 ILE HG2% 1.0 . 4.18 1037 874 A 49 ILE H A 50 ARG H 1.0 . 4.64 1038 875 A 49 ILE HB A 49 ILE HA 1.0 . 2.89 1039 876 A 49 ILE HA A 49 ILE HG1x 1.0 . 4.01 1040 877 A 49 ILE HA A 49 ILE HG1y 1.0 . 4.01 1041 878 A 49 ILE HD1% A 49 ILE HA 1.0 . 3.82 1042 879 A 49 ILE HG2% A 49 ILE HA 1.0 . 3.59 1043 880 A 50 ARG H A 49 ILE HA 1.0 . 2.96 1044 881 A 49 ILE HA A 74 ILE HG1x 1.0 . 6.01 1045 882 A 49 ILE HA A 74 ILE HG1y 1.0 . 5.80 1046 883 A 49 ILE HD1% A 49 ILE HB 1.0 . 3.54 1047 884 A 49 ILE HB A 74 ILE HG1x 1.0 . 3.59 1048 885 A 49 ILE HB A 74 ILE HG1y 1.0 . 3.59 1049 886 A 50 ARG H A 49 ILE HG1x 1.0 . 5.03 1050 887 A 50 ARG H A 49 ILE HG1y 1.0 . 5.03 1051 888 A 49 ILE HD1% A 50 ARG H 1.0 . 5.39 1052 889 A 49 ILE HD1% A 74 ILE HG1x 1.0 . 3.42 1053 890 A 49 ILE HD1% A 74 ILE HG1y 1.0 . 3.42 1054 891 A 49 ILE HD1% A 75 ARG HDx 1.0 . 4.24 1055 892 A 49 ILE HD1% A 75 ARG HDy 1.0 . 5.10 1056 893 A 49 ILE HG1x A 74 ILE HG1y 1.0 . 3.65 1057 893 A 74 ILE HG1x A 49 ILE HG1y 1.0 . 3.65 1058 893 A 49 ILE HG1x A 74 ILE HG1x 1.0 . 3.65 1059 893 A 49 ILE HG1y A 74 ILE HG1y 1.0 . 3.65 1060 894 A 49 ILE HG2% A 49 ILE HG1x 1.0 . 4.24 1061 895 A 49 ILE HG2% A 49 ILE HG1y 1.0 . 4.24 1062 896 A 49 ILE HD1% A 49 ILE HG2% 1.0 . 4.44 1063 897 A 49 ILE HG2% A 50 ARG H 1.0 . 4.62 1064 898 A 49 ILE HG2% A 74 ILE HG1x 1.0 . 3.42 1065 899 A 49 ILE HG2% A 74 ILE HG1y 1.0 . 3.42 1066 900 A 50 ARG H A 50 ARG HBx 1.0 . 3.37 1067 901 A 50 ARG H A 50 ARG HBy 1.0 . 3.37 1068 902 A 50 ARG H A 50 ARG HDx 1.0 . 5.50 1069 903 A 50 ARG H A 50 ARG HDy 1.0 . 5.50 1070 904 A 50 ARG H A 50 ARG HGx 1.0 . 4.77 1071 905 A 50 ARG H A 50 ARG HGy 1.0 . 4.77 1072 906 A 51 ILE H A 50 ARG H 1.0 . 4.57 1073 907 A 50 ARG HA A 50 ARG HDx 1.0 . 4.63 1074 908 A 50 ARG HA A 50 ARG HDy 1.0 . 4.81 1075 909 A 50 ARG HA A 50 ARG HGx 1.0 . 4.06 1076 910 A 50 ARG HA A 50 ARG HGy 1.0 . 3.78 1077 911 A 51 ILE H A 50 ARG HA 1.0 . 2.92 1078 912 A 50 ARG HBx A 50 ARG HDx 1.0 . 3.45 1079 913 A 50 ARG HBx A 50 ARG HDy 1.0 . 3.99 1080 914 A 51 ILE H A 50 ARG HBx 1.0 . 4.48 1081 915 A 52 ILE HD1% A 50 ARG HBx 1.0 . 5.72 1082 916 A 50 ARG HBy A 50 ARG HDx 1.0 . 4.06 1083 917 A 50 ARG HDy A 50 ARG HBy 1.0 . 3.45 1084 918 A 51 ILE H A 50 ARG HBy 1.0 . 4.55 1085 919 A 52 ILE HD1% A 50 ARG HBy 1.0 . 4.67 1086 920 A 51 ILE H A 50 ARG HDx 1.0 . 5.84 1087 921 A 51 ILE H A 50 ARG HDy 1.0 . 5.28 1088 922 A 51 ILE H A 50 ARG HGx 1.0 . 4.61 1089 923 A 51 ILE H A 50 ARG HGy 1.0 . 4.75 1090 924 A 50 ARG HBx A 52 ILE HG1y 1.0 . 5.90 1091 924 A 50 ARG HBy A 52 ILE HG1y 1.0 . 5.90 1092 924 A 52 ILE HG1x A 50 ARG HBy 1.0 . 5.90 1093 924 A 50 ARG HBx A 52 ILE HG1x 1.0 . 5.90 1094 925 A 52 ILE HG2% A 50 ARG HBy 1.0 . 4.66 1095 925 A 50 ARG HBx A 52 ILE HG2% 1.0 . 4.66 1096 926 A 52 ILE HG2% A 50 ARG HDx 1.0 . 4.88 1097 926 A 52 ILE HG2% A 50 ARG HDy 1.0 . 4.88 1098 927 A 50 ARG HDx A 75 ARG HGy 1.0 . 4.64 1099 927 A 75 ARG HGx A 50 ARG HDx 1.0 . 4.64 1100 927 A 50 ARG HDy A 75 ARG HGx 1.0 . 4.64 1101 927 A 50 ARG HDy A 75 ARG HGy 1.0 . 4.64 1102 928 A 52 ILE HG2% A 50 ARG HGy 1.0 . 3.70 1103 928 A 52 ILE HG2% A 50 ARG HGx 1.0 . 3.70 1104 929 A 50 ARG HGx A 75 ARG HGy 1.0 . 4.83 1105 929 A 50 ARG HGy A 75 ARG HGy 1.0 . 4.83 1106 929 A 75 ARG HGx A 50 ARG HGy 1.0 . 4.83 1107 929 A 75 ARG HGx A 50 ARG HGx 1.0 . 4.83 1108 930 A 51 ILE H A 51 ILE HG1x 1.0 . 5.50 1109 931 A 51 ILE H A 51 ILE HG1y 1.0 . 5.50 1110 932 A 51 ILE H A 51 ILE HD1% 1.0 . 5.78 1111 933 A 51 ILE HG2% A 51 ILE H 1.0 . 4.67 1112 934 A 51 ILE H A 52 ILE H 1.0 . 4.34 1113 935 A 51 ILE HD1% A 51 ILE HA 1.0 . 5.77 1114 936 A 51 ILE HG2% A 51 ILE HA 1.0 . 4.05 1115 937 A 52 ILE H A 51 ILE HA 1.0 . 3.02 1116 938 A 75 ARG HGx A 51 ILE HA 1.0 . 4.40 1117 939 A 51 ILE HA A 75 ARG HGy 1.0 . 3.51 1118 940 A 51 ILE HG1x A 52 ILE H 1.0 . 5.85 1119 941 A 51 ILE HG1y A 52 ILE H 1.0 . 5.28 1120 942 A 51 ILE HG2% A 52 ILE H 1.0 . 4.42 1121 943 A 51 ILE HG2% A 75 ARG HGx 1.0 . 5.18 1122 944 A 51 ILE HG2% A 75 ARG HGy 1.0 . 4.90 1123 945 A 52 ILE HG1x A 52 ILE H 1.0 . 4.70 1124 946 A 52 ILE H A 52 ILE HG1y 1.0 . 4.70 1125 947 A 52 ILE HD1% A 52 ILE H 1.0 . 4.40 1126 948 A 52 ILE HG2% A 52 ILE H 1.0 . 4.96 1127 949 A 52 ILE H A 53 ILE H 1.0 . 4.48 1128 950 A 52 ILE HD1% A 52 ILE HA 1.0 . 4.53 1129 951 A 52 ILE HG2% A 52 ILE HA 1.0 . 3.89 1130 952 A 53 ILE H A 52 ILE HA 1.0 . 3.45 1131 953 A 52 ILE HD1% A 52 ILE HB 1.0 . 3.72 1132 954 A 53 ILE H A 52 ILE HB 1.0 . 3.10 1133 955 A 52 ILE HG1x A 53 ILE H 1.0 . 5.18 1134 956 A 53 ILE H A 52 ILE HG1y 1.0 . 5.18 1135 957 A 52 ILE HD1% A 53 ILE H 1.0 . 6.01 1136 958 A 55 ASP HA A 52 ILE HD1% 1.0 . 5.13 1137 959 A 52 ILE HG1x A 52 ILE HG2% 1.0 . 4.10 1138 960 A 52 ILE HG2% A 52 ILE HG1y 1.0 . 4.10 1139 961 A 52 ILE HD1% A 52 ILE HG2% 1.0 . 4.44 1140 962 A 52 ILE HG2% A 53 ILE H 1.0 . 4.01 1141 963 A 52 ILE HG2% A 75 ARG HBy 1.0 . 5.90 1142 964 A 52 ILE HG2% A 75 ARG HGy 1.0 . 4.37 1143 964 A 52 ILE HG2% A 75 ARG HGx 1.0 . 4.37 1144 965 A 53 ILE HB A 53 ILE H 1.0 . 2.70 1145 966 A 53 ILE HD1% A 53 ILE H 1.0 . 3.48 1146 967 A 53 ILE HG2% A 53 ILE H 1.0 . 3.74 1147 968 A 53 ILE H A 54 GLY H 1.0 . 4.50 1148 969 A 53 ILE HA A 53 ILE HD1% 1.0 . 5.80 1149 970 A 53 ILE HA A 53 ILE HG2% 1.0 . 3.97 1150 971 A 53 ILE HA A 54 GLY H 1.0 . 3.41 1151 972 A 55 ASP H A 53 ILE HA 1.0 . 3.83 1152 973 A 53 ILE HB A 54 GLY H 1.0 . 4.34 1153 974 A 53 ILE HD1% A 53 ILE HG2% 1.0 . 4.44 1154 975 A 53 ILE HG2% A 54 GLY H 1.0 . 4.46 1155 976 A 55 ASP H A 54 GLY H 1.0 . 3.87 1156 977 A 54 GLY H A 55 ASP HBx 1.0 . 4.75 1157 977 A 55 ASP HBy A 54 GLY H 1.0 . 4.75 1158 978 A 55 ASP H A 55 ASP HBy 1.0 . 3.14 1159 979 A 55 ASP H A 55 ASP HBx 1.0 . 3.79 1160 980 A 55 ASP H A 55 ASP HBx 1.0 . 2.72 1161 980 A 55 ASP H A 55 ASP HBy 1.0 . 2.72 1162 981 A 55 ASP H A 56 ARG H 1.0 . 4.38 1163 982 A 55 ASP HA A 56 ARG H 1.0 . 2.95 1164 983 A 55 ASP HBy A 56 ARG H 1.0 . 4.17 1165 984 A 56 ARG H A 55 ASP HBx 1.0 . 4.17 1166 985 A 56 ARG H A 55 ASP HBx 1.0 . 3.51 1167 985 A 55 ASP HBy A 56 ARG H 1.0 . 3.51 1168 986 A 56 ARG HBx A 56 ARG H 1.0 . 3.39 1169 987 A 56 ARG H A 56 ARG HBy 1.0 . 3.81 1170 988 A 56 ARG H A 56 ARG HDx 1.0 . 5.50 1171 989 A 56 ARG HDy A 56 ARG H 1.0 . 5.50 1172 990 A 57 VAL H A 56 ARG H 1.0 . 4.61 1173 991 A 75 ARG HGx A 56 ARG H 1.0 . 5.02 1174 992 A 56 ARG H A 76 ARG H 1.0 . 4.70 1175 993 A 56 ARG HA A 56 ARG HDx 1.0 . 4.15 1176 994 A 56 ARG HA A 56 ARG HDy 1.0 . 4.15 1177 995 A 56 ARG HA A 57 VAL H 1.0 . 3.09 1178 996 A 56 ARG HBx A 56 ARG HDx 1.0 . 3.68 1179 997 A 56 ARG HBx A 56 ARG HDy 1.0 . 4.08 1180 998 A 57 VAL H A 56 ARG HBx 1.0 . 4.31 1181 999 A 56 ARG HBy A 56 ARG HDx 1.0 . 3.68 1182 1000 A 56 ARG HDy A 56 ARG HBy 1.0 . 3.68 1183 1001 A 57 VAL H A 56 ARG HBy 1.0 . 3.95 1184 1002 A 57 VAL H A 56 ARG HDx 1.0 . 5.13 1185 1003 A 57 VAL H A 56 ARG HDy 1.0 . 5.13 1186 1004 A 57 VAL H A 57 VAL HGx% 1.0 . 4.68 1187 1005 A 57 VAL H A 57 VAL HGy% 1.0 . 4.68 1188 1006 A 57 VAL H A 57 VAL HGy% 1.0 . 3.99 1189 1006 A 57 VAL H A 57 VAL HGx% 1.0 . 3.99 1190 1007 A 57 VAL H A 58 LEU H 1.0 . 5.02 1191 1008 A 58 LEU H A 57 VAL HA 1.0 . 3.31 1192 1009 A 58 LEU H A 57 VAL HB 1.0 . 4.02 1193 1010 A 57 VAL HB A 75 ARG HBx 1.0 . 5.95 1194 1010 A 57 VAL HB A 75 ARG HBy 1.0 . 5.95 1195 1011 A 57 VAL HGx% A 58 LEU H 1.0 . 5.08 1196 1012 A 58 LEU H A 57 VAL HGy% 1.0 . 5.08 1197 1013 A 58 LEU H A 57 VAL HGy% 1.0 . 4.17 1198 1013 A 57 VAL HGx% A 58 LEU H 1.0 . 4.17 1199 1014 A 59 VAL HA A 57 VAL HGy% 1.0 . 4.72 1200 1014 A 57 VAL HGx% A 59 VAL HA 1.0 . 4.72 1201 1015 A 58 LEU H A 58 LEU HBx 1.0 . 3.97 1202 1016 A 58 LEU H A 58 LEU HBy 1.0 . 3.97 1203 1017 A 58 LEU H A 58 LEU HG 1.0 . 4.59 1204 1018 A 58 LEU HDx% A 58 LEU H 1.0 . 5.00 1205 1019 A 58 LEU H A 58 LEU HDy% 1.0 . 5.00 1206 1020 A 58 LEU H A 58 LEU HDy% 1.0 . 4.38 1207 1020 A 58 LEU HDx% A 58 LEU H 1.0 . 4.38 1208 1021 A 59 VAL H A 58 LEU H 1.0 . 4.82 1209 1022 A 58 LEU H A 75 ARG H 1.0 . 3.95 1210 1023 A 58 LEU HA A 58 LEU HG 1.0 . 3.97 1211 1024 A 58 LEU HDx% A 58 LEU HA 1.0 . 3.71 1212 1025 A 58 LEU HA A 58 LEU HDy% 1.0 . 3.71 1213 1026 A 58 LEU HG A 73 ILE HA 1.0 . 5.42 1214 1027 A 58 LEU HDx% A 60 GLU HA 1.0 . 5.01 1215 1028 A 59 VAL H A 58 LEU HDy% 1.0 . 4.33 1216 1028 A 58 LEU HDx% A 59 VAL H 1.0 . 4.33 1217 1029 A 60 GLU HA A 58 LEU HDy% 1.0 . 4.75 1218 1029 A 58 LEU HDx% A 60 GLU HA 1.0 . 4.75 1219 1030 A 58 LEU HDx% A 60 GLU HBy 1.0 . 3.69 1220 1030 A 58 LEU HDy% A 60 GLU HBy 1.0 . 3.69 1221 1030 A 60 GLU HBx A 58 LEU HDy% 1.0 . 3.69 1222 1030 A 58 LEU HDx% A 60 GLU HBx 1.0 . 3.69 1223 1031 A 58 LEU HDx% A 60 GLU HGx 1.0 . 4.89 1224 1031 A 58 LEU HDy% A 60 GLU HGx 1.0 . 4.89 1225 1031 A 60 GLU HGy A 58 LEU HDy% 1.0 . 4.89 1226 1031 A 58 LEU HDx% A 60 GLU HGy 1.0 . 4.89 1227 1032 A 59 VAL H A 59 VAL HB 1.0 . 3.88 1228 1033 A 59 VAL H A 59 VAL HGx% 1.0 . 4.93 1229 1034 A 59 VAL H A 59 VAL HGy% 1.0 . 4.93 1230 1035 A 59 VAL H A 60 GLU H 1.0 . 4.51 1231 1036 A 59 VAL HA A 59 VAL HGx% 1.0 . 3.42 1232 1037 A 59 VAL HA A 59 VAL HGy% 1.0 . 3.42 1233 1038 A 59 VAL HA A 60 GLU H 1.0 . 3.20 1234 1039 A 59 VAL HA A 72 ARG HGy 1.0 . 5.87 1235 1040 A 59 VAL HB A 60 GLU H 1.0 . 4.36 1236 1041 A 60 GLU H A 59 VAL HGx% 1.0 . 4.73 1237 1042 A 60 GLU H A 59 VAL HGy% 1.0 . 4.73 1238 1043 A 59 VAL HGy% A 61 MET HGy 1.0 . 5.10 1239 1043 A 59 VAL HGx% A 61 MET HGy 1.0 . 5.10 1240 1043 A 61 MET HGx A 59 VAL HGy% 1.0 . 5.10 1241 1043 A 61 MET HGx A 59 VAL HGx% 1.0 . 5.10 1242 1044 A 60 GLU HBx A 60 GLU H 1.0 . 3.84 1243 1045 A 60 GLU H A 60 GLU HBy 1.0 . 3.84 1244 1046 A 60 GLU H A 60 GLU HGx 1.0 . 4.30 1245 1046 A 60 GLU HGy A 60 GLU H 1.0 . 4.30 1246 1047 A 61 MET H A 60 GLU H 1.0 . 4.11 1247 1048 A 72 ARG H A 60 GLU H 1.0 . 5.06 1248 1049 A 73 ILE H A 60 GLU H 1.0 . 5.88 1249 1050 A 73 ILE HA A 60 GLU H 1.0 . 4.63 1250 1051 A 60 GLU H A 73 ILE HG2% 1.0 . 5.95 1251 1052 A 60 GLU HA A 60 GLU HGx 1.0 . 3.80 1252 1053 A 60 GLU HA A 60 GLU HGy 1.0 . 3.80 1253 1054 A 61 MET H A 60 GLU HA 1.0 . 2.97 1254 1055 A 61 MET H A 60 GLU HBx 1.0 . 4.54 1255 1056 A 61 MET H A 60 GLU HBy 1.0 . 4.65 1256 1057 A 61 MET H A 60 GLU HGx 1.0 . 4.71 1257 1058 A 61 MET H A 60 GLU HGy 1.0 . 4.56 1258 1059 A 61 MET H A 60 GLU HGx 1.0 . 4.16 1259 1059 A 61 MET H A 60 GLU HGy 1.0 . 4.16 1260 1060 A 61 MET HBx A 61 MET H 1.0 . 4.15 1261 1061 A 61 MET H A 61 MET HBy 1.0 . 4.00 1262 1062 A 61 MET HGx A 61 MET H 1.0 . 4.72 1263 1063 A 61 MET H A 61 MET HGy 1.0 . 5.09 1264 1064 A 61 MET H A 62 SER H 1.0 . 4.26 1265 1065 A 61 MET HA A 61 MET HGx 1.0 . 4.20 1266 1066 A 61 MET HA A 61 MET HGy 1.0 . 4.20 1267 1067 A 61 MET HA A 62 SER H 1.0 . 3.53 1268 1068 A 61 MET HA A 72 ARG H 1.0 . 5.54 1269 1069 A 61 MET HBx A 62 SER H 1.0 . 4.88 1270 1070 A 62 SER H A 61 MET HBy 1.0 . 4.88 1271 1071 A 61 MET HBx A 70 LYS HBx 1.0 . 5.60 1272 1071 A 61 MET HBy A 70 LYS HBx 1.0 . 5.60 1273 1071 A 70 LYS HBy A 61 MET HBy 1.0 . 5.60 1274 1071 A 61 MET HBx A 70 LYS HBy 1.0 . 5.60 1275 1072 A 61 MET HGy A 70 LYS HBx 1.0 . 5.48 1276 1072 A 61 MET HGx A 70 LYS HBx 1.0 . 5.48 1277 1072 A 70 LYS HBy A 61 MET HGy 1.0 . 5.48 1278 1072 A 61 MET HGx A 70 LYS HBy 1.0 . 5.48 1279 1073 A 62 SER H A 63 ILE H 1.0 . 5.24 1280 1074 A 63 ILE HD1% A 62 SER H 1.0 . 5.77 1281 1075 A 62 SER H A 64 TYR HBy 1.0 . 5.61 1282 1076 A 62 SER H A 64 TYR HBy 1.0 . 5.44 1283 1076 A 62 SER H A 64 TYR HBx 1.0 . 5.44 1284 1077 A 62 SER H A 65 ASP H 1.0 . 6.25 1285 1078 A 62 SER H A 66 ARG HGx 1.0 . 5.91 1286 1079 A 62 SER HA A 62 SER HBy 1.0 . 2.59 1287 1079 A 62 SER HA A 62 SER HBx 1.0 . 2.59 1288 1080 A 62 SER HA A 63 ILE HB 1.0 . 4.98 1289 1081 A 62 SER HA A 63 ILE HD1% 1.0 . 4.08 1290 1082 A 62 SER HA A 63 ILE HG2% 1.0 . 5.60 1291 1083 A 63 ILE H A 62 SER HBy 1.0 . 3.80 1292 1083 A 62 SER HBx A 63 ILE H 1.0 . 3.80 1293 1084 A 68 ALA HA A 62 SER HBy 1.0 . 6.01 1294 1084 A 62 SER HBx A 68 ALA HA 1.0 . 6.01 1295 1085 A 63 ILE H A 63 ILE HB 1.0 . 3.69 1296 1086 A 63 ILE H A 63 ILE HG1x 1.0 . 3.90 1297 1087 A 63 ILE H A 63 ILE HG1y 1.0 . 3.90 1298 1088 A 63 ILE HD1% A 63 ILE H 1.0 . 4.73 1299 1089 A 63 ILE H A 63 ILE HG2% 1.0 . 4.77 1300 1090 A 63 ILE H A 64 TYR H 1.0 . 3.70 1301 1091 A 63 ILE HB A 63 ILE HA 1.0 . 2.90 1302 1092 A 63 ILE HG1x A 63 ILE HA 1.0 . 3.66 1303 1093 A 63 ILE HG1y A 63 ILE HA 1.0 . 3.66 1304 1094 A 63 ILE HD1% A 63 ILE HA 1.0 . 4.03 1305 1095 A 63 ILE HG2% A 63 ILE HA 1.0 . 3.96 1306 1096 A 63 ILE HD1% A 63 ILE HB 1.0 . 3.57 1307 1097 A 63 ILE HB A 64 TYR H 1.0 . 3.84 1308 1098 A 63 ILE HG1x A 64 TYR H 1.0 . 5.83 1309 1099 A 63 ILE HG1y A 64 TYR H 1.0 . 5.55 1310 1100 A 63 ILE HD1% A 64 TYR H 1.0 . 5.03 1311 1101 A 63 ILE HG2% A 63 ILE HG1x 1.0 . 4.04 1312 1102 A 63 ILE HG2% A 63 ILE HG1y 1.0 . 4.04 1313 1103 A 63 ILE HD1% A 63 ILE HG2% 1.0 . 4.44 1314 1104 A 63 ILE HG2% A 64 TYR H 1.0 . 4.83 1315 1105 A 63 ILE HG2% A 68 ALA HB% 1.0 . 5.28 1316 1106 A 64 TYR H A 64 TYR HBy 1.0 . 3.40 1317 1107 A 64 TYR HBx A 64 TYR H 1.0 . 3.40 1318 1108 A 64 TYR H A 64 TYR HDx 1.0 . 4.28 1319 1109 A 64 TYR H A 64 TYR HDy 1.0 . 4.28 1320 1110 A 64 TYR H A 64 TYR HEx 1.0 . 5.50 1321 1111 A 64 TYR H A 64 TYR HEy 1.0 . 5.50 1322 1112 A 64 TYR H A 64 TYR HBy 1.0 . 2.98 1323 1112 A 64 TYR HBx A 64 TYR H 1.0 . 2.98 1324 1113 A 65 ASP H A 64 TYR H 1.0 . 3.77 1325 1114 A 64 TYR HDx A 64 TYR HA 1.0 . 4.51 1326 1115 A 64 TYR HDy A 64 TYR HA 1.0 . 4.52 1327 1116 A 64 TYR HEx A 64 TYR HA 1.0 . 5.89 1328 1117 A 64 TYR HEy A 64 TYR HA 1.0 . 5.89 1329 1118 A 64 TYR HEx A 64 TYR HBy 1.0 . 5.46 1330 1119 A 64 TYR HEy A 64 TYR HBy 1.0 . 5.46 1331 1120 A 65 ASP H A 64 TYR HBy 1.0 . 3.49 1332 1121 A 66 ARG H A 64 TYR HBy 1.0 . 4.20 1333 1122 A 68 ALA HA A 64 TYR HBy 1.0 . 5.94 1334 1123 A 68 ALA HB% A 64 TYR HBy 1.0 . 5.06 1335 1124 A 64 TYR HBx A 64 TYR HEx 1.0 . 5.13 1336 1125 A 64 TYR HBx A 64 TYR HEy 1.0 . 5.15 1337 1126 A 64 TYR HBx A 65 ASP H 1.0 . 3.49 1338 1127 A 64 TYR HBx A 66 ARG H 1.0 . 4.65 1339 1128 A 64 TYR HBx A 68 ALA HB% 1.0 . 5.41 1340 1129 A 65 ASP H A 64 TYR HDx 1.0 . 4.86 1341 1130 A 65 ASP H A 64 TYR HDy 1.0 . 4.86 1342 1131 A 65 ASP H A 64 TYR HBy 1.0 . 2.94 1343 1131 A 64 TYR HBx A 65 ASP H 1.0 . 2.94 1344 1132 A 66 ARG H A 64 TYR HBy 1.0 . 3.62 1345 1132 A 64 TYR HBx A 66 ARG H 1.0 . 3.62 1346 1133 A 65 ASP H A 65 ASP HBx 1.0 . 3.92 1347 1134 A 65 ASP H A 65 ASP HBy 1.0 . 3.92 1348 1135 A 65 ASP H A 66 ARG H 1.0 . 3.96 1349 1136 A 66 ARG H A 66 ARG HBx 1.0 . 3.78 1350 1137 A 66 ARG H A 66 ARG HBy 1.0 . 3.78 1351 1138 A 66 ARG H A 66 ARG HDx 1.0 . 5.23 1352 1139 A 66 ARG H A 66 ARG HDy 1.0 . 5.23 1353 1140 A 66 ARG HGx A 66 ARG H 1.0 . 4.25 1354 1141 A 66 ARG H A 66 ARG HGy 1.0 . 4.25 1355 1142 A 66 ARG H A 67 ASN H 1.0 . 4.55 1356 1143 A 66 ARG HDx A 66 ARG HA 1.0 . 4.13 1357 1144 A 66 ARG HDy A 66 ARG HA 1.0 . 4.56 1358 1145 A 66 ARG HGx A 66 ARG HA 1.0 . 4.16 1359 1146 A 66 ARG HGy A 66 ARG HA 1.0 . 4.16 1360 1147 A 66 ARG HDx A 66 ARG HBx 1.0 . 3.76 1361 1148 A 66 ARG HDy A 66 ARG HBx 1.0 . 4.10 1362 1149 A 66 ARG HDx A 66 ARG HBy 1.0 . 3.76 1363 1150 A 66 ARG HDy A 66 ARG HBy 1.0 . 3.76 1364 1151 A 68 ALA HB% A 66 ARG HDx 1.0 . 6.08 1365 1152 A 68 ALA HB% A 66 ARG HDy 1.0 . 5.45 1366 1153 A 67 ASN H A 66 ARG HBy 1.0 . 4.25 1367 1153 A 67 ASN H A 66 ARG HBx 1.0 . 4.25 1368 1154 A 67 ASN H A 68 ALA H 1.0 . 4.05 1369 1155 A 68 ALA HB% A 67 ASN HA 1.0 . 4.66 1370 1156 A 68 ALA H A 67 ASN HBx 1.0 . 4.28 1371 1157 A 68 ALA H A 67 ASN HBy 1.0 . 4.53 1372 1158 A 68 ALA HB% A 67 ASN HBy 1.0 . 4.86 1373 1158 A 68 ALA HB% A 67 ASN HBx 1.0 . 4.86 1374 1159 A 68 ALA HB% A 68 ALA H 1.0 . 4.00 1375 1160 A 68 ALA H A 69 LYS H 1.0 . 3.46 1376 1161 A 68 ALA HB% A 69 LYS H 1.0 . 5.30 1377 1162 A 69 LYS H A 69 LYS HDy 1.0 . 4.92 1378 1163 A 69 LYS H A 69 LYS HDx 1.0 . 4.92 1379 1164 A 69 LYS H A 69 LYS HEx 1.0 . 5.50 1380 1165 A 69 LYS H A 69 LYS HEy 1.0 . 5.50 1381 1166 A 69 LYS H A 69 LYS HGx 1.0 . 4.69 1382 1167 A 69 LYS H A 69 LYS HGy 1.0 . 4.69 1383 1168 A 69 LYS H A 69 LYS HDy 1.0 . 4.33 1384 1168 A 69 LYS H A 69 LYS HDx 1.0 . 4.33 1385 1169 A 70 LYS H A 69 LYS H 1.0 . 2.61 1386 1170 A 69 LYS HA A 69 LYS HDy 1.0 . 4.15 1387 1171 A 69 LYS HDx A 69 LYS HA 1.0 . 4.96 1388 1172 A 69 LYS HA A 69 LYS HEx 1.0 . 5.54 1389 1173 A 69 LYS HA A 69 LYS HEy 1.0 . 5.29 1390 1174 A 69 LYS HA A 69 LYS HGx 1.0 . 4.12 1391 1175 A 69 LYS HA A 69 LYS HGy 1.0 . 3.65 1392 1176 A 69 LYS HBx A 69 LYS HDy 1.0 . 2.57 1393 1177 A 69 LYS HDx A 69 LYS HBx 1.0 . 2.93 1394 1178 A 69 LYS HEx A 69 LYS HBx 1.0 . 4.65 1395 1179 A 69 LYS HBx A 69 LYS HEy 1.0 . 4.65 1396 1180 A 70 LYS H A 69 LYS HBx 1.0 . 4.95 1397 1181 A 69 LYS HBy A 69 LYS HDy 1.0 . 3.57 1398 1182 A 69 LYS HDx A 69 LYS HBy 1.0 . 3.93 1399 1183 A 69 LYS HBy A 69 LYS HEx 1.0 . 4.65 1400 1184 A 69 LYS HBy A 69 LYS HEy 1.0 . 4.99 1401 1185 A 70 LYS H A 69 LYS HBy 1.0 . 4.95 1402 1186 A 70 LYS H A 69 LYS HDy 1.0 . 3.17 1403 1187 A 70 LYS H A 69 LYS HDx 1.0 . 4.07 1404 1188 A 70 LYS H A 69 LYS HEx 1.0 . 5.80 1405 1189 A 70 LYS H A 69 LYS HEy 1.0 . 5.50 1406 1190 A 69 LYS HEx A 69 LYS HGx 1.0 . 3.39 1407 1191 A 69 LYS HGx A 69 LYS HEy 1.0 . 3.88 1408 1192 A 70 LYS H A 69 LYS HGx 1.0 . 4.93 1409 1193 A 69 LYS HEx A 69 LYS HGy 1.0 . 3.39 1410 1194 A 69 LYS HEy A 69 LYS HGy 1.0 . 3.39 1411 1195 A 70 LYS H A 69 LYS HGy 1.0 . 4.11 1412 1196 A 69 LYS HBx A 69 LYS HDy 1.0 . 2.37 1413 1196 A 69 LYS HBy A 69 LYS HDy 1.0 . 2.37 1414 1196 A 69 LYS HDx A 69 LYS HBx 1.0 . 2.37 1415 1196 A 69 LYS HDx A 69 LYS HBy 1.0 . 2.37 1416 1197 A 69 LYS HDx A 69 LYS HEy 1.0 . 2.06 1417 1197 A 69 LYS HDy A 69 LYS HEy 1.0 . 2.06 1418 1197 A 69 LYS HEx A 69 LYS HDy 1.0 . 2.06 1419 1197 A 69 LYS HDx A 69 LYS HEx 1.0 . 2.06 1420 1198 A 70 LYS H A 69 LYS HDy 1.0 . 2.79 1421 1198 A 70 LYS H A 69 LYS HDx 1.0 . 2.79 1422 1199 A 69 LYS HDy A 69 LYS HGy 1.0 . 2.06 1423 1199 A 69 LYS HDx A 69 LYS HGy 1.0 . 2.06 1424 1199 A 69 LYS HGx A 69 LYS HDy 1.0 . 2.06 1425 1199 A 69 LYS HDx A 69 LYS HGx 1.0 . 2.06 1426 1200 A 70 LYS H A 70 LYS HBx 1.0 . 4.05 1427 1201 A 70 LYS H A 70 LYS HBy 1.0 . 4.05 1428 1202 A 70 LYS H A 70 LYS HDy 1.0 . 3.17 1429 1203 A 70 LYS H A 70 LYS HDx 1.0 . 4.21 1430 1204 A 70 LYS H A 70 LYS HGx 1.0 . 4.11 1431 1205 A 70 LYS H A 70 LYS HGy 1.0 . 4.11 1432 1206 A 70 LYS H A 70 LYS HDy 1.0 . 2.95 1433 1206 A 70 LYS H A 70 LYS HDx 1.0 . 2.95 1434 1207 A 70 LYS H A 71 GLY H 1.0 . 4.50 1435 1208 A 70 LYS HA A 70 LYS HDy 1.0 . 4.54 1436 1209 A 70 LYS HA A 70 LYS HDx 1.0 . 4.54 1437 1210 A 70 LYS HA A 70 LYS HGx 1.0 . 4.25 1438 1211 A 70 LYS HA A 70 LYS HGy 1.0 . 4.25 1439 1212 A 70 LYS HA A 70 LYS HDy 1.0 . 3.76 1440 1212 A 70 LYS HA A 70 LYS HDx 1.0 . 3.76 1441 1213 A 70 LYS HA A 71 GLY H 1.0 . 3.50 1442 1214 A 70 LYS HBx A 70 LYS HDy 1.0 . 3.25 1443 1215 A 70 LYS HDx A 70 LYS HBx 1.0 . 2.55 1444 1216 A 71 GLY H A 70 LYS HBx 1.0 . 4.40 1445 1217 A 70 LYS HBy A 70 LYS HDy 1.0 . 3.96 1446 1218 A 70 LYS HDx A 70 LYS HBy 1.0 . 3.53 1447 1219 A 70 LYS HBy A 71 GLY H 1.0 . 4.40 1448 1220 A 70 LYS HGx A 70 LYS HDy 1.0 . 3.01 1449 1221 A 70 LYS HDx A 70 LYS HGx 1.0 . 2.65 1450 1222 A 70 LYS HGx A 71 GLY H 1.0 . 4.92 1451 1223 A 70 LYS HGy A 70 LYS HDy 1.0 . 2.40 1452 1224 A 70 LYS HDx A 70 LYS HGy 1.0 . 3.01 1453 1225 A 70 LYS HGy A 71 GLY H 1.0 . 4.91 1454 1226 A 70 LYS HBy A 70 LYS HDy 1.0 . 2.24 1455 1226 A 70 LYS HBx A 70 LYS HDy 1.0 . 2.24 1456 1226 A 70 LYS HDx A 70 LYS HBx 1.0 . 2.24 1457 1226 A 70 LYS HDx A 70 LYS HBy 1.0 . 2.24 1458 1227 A 71 GLY H A 70 LYS HDy 1.0 . 3.94 1459 1227 A 70 LYS HDx A 71 GLY H 1.0 . 3.94 1460 1228 A 72 ARG H A 71 GLY H 1.0 . 4.72 1461 1229 A 71 GLY HAy A 72 ARG H 1.0 . 3.43 1462 1230 A 72 ARG H A 71 GLY HAx 1.0 . 3.43 1463 1231 A 72 ARG H A 71 GLY HAx 1.0 . 3.00 1464 1231 A 71 GLY HAy A 72 ARG H 1.0 . 3.00 1465 1232 A 72 ARG H A 72 ARG HBx 1.0 . 4.10 1466 1233 A 72 ARG H A 72 ARG HBy 1.0 . 4.10 1467 1234 A 72 ARG H A 72 ARG HDx 1.0 . 5.50 1468 1235 A 72 ARG H A 72 ARG HDy 1.0 . 5.50 1469 1236 A 72 ARG H A 72 ARG HGx 1.0 . 4.63 1470 1237 A 72 ARG H A 72 ARG HGy 1.0 . 4.63 1471 1238 A 72 ARG H A 73 ILE H 1.0 . 5.50 1472 1239 A 72 ARG HA A 72 ARG HDx 1.0 . 5.50 1473 1240 A 72 ARG HA A 72 ARG HDy 1.0 . 4.85 1474 1241 A 72 ARG HA A 72 ARG HGx 1.0 . 4.03 1475 1242 A 72 ARG HA A 72 ARG HGy 1.0 . 4.15 1476 1243 A 72 ARG HBx A 72 ARG HDx 1.0 . 3.59 1477 1244 A 72 ARG HBx A 72 ARG HDy 1.0 . 3.59 1478 1245 A 72 ARG HBx A 72 ARG HGx 1.0 . 3.01 1479 1246 A 72 ARG HBx A 72 ARG HGy 1.0 . 2.69 1480 1247 A 73 ILE H A 72 ARG HBx 1.0 . 5.50 1481 1248 A 72 ARG HBy A 72 ARG HDx 1.0 . 3.59 1482 1249 A 72 ARG HDy A 72 ARG HBy 1.0 . 3.59 1483 1250 A 72 ARG HGx A 72 ARG HBy 1.0 . 2.69 1484 1251 A 72 ARG HBy A 72 ARG HGy 1.0 . 3.01 1485 1252 A 73 ILE H A 72 ARG HBy 1.0 . 5.50 1486 1253 A 73 ILE H A 72 ARG HGx 1.0 . 5.15 1487 1254 A 73 ILE H A 72 ARG HGy 1.0 . 5.14 1488 1255 A 73 ILE H A 73 ILE HA 1.0 . 2.75 1489 1256 A 73 ILE H A 73 ILE HB 1.0 . 3.64 1490 1257 A 73 ILE H A 73 ILE HD1% 1.0 . 4.70 1491 1258 A 73 ILE H A 73 ILE HG2% 1.0 . 4.64 1492 1259 A 73 ILE H A 74 ILE H 1.0 . 4.71 1493 1260 A 73 ILE HA A 73 ILE HD1% 1.0 . 4.00 1494 1261 A 73 ILE HB A 73 ILE HD1% 1.0 . 4.12 1495 1262 A 73 ILE HB A 74 ILE HA 1.0 . 5.82 1496 1263 A 73 ILE HG2% A 73 ILE HD1% 1.0 . 4.58 1497 1264 A 73 ILE HG2% A 74 ILE HA 1.0 . 4.63 1498 1265 A 74 ILE H A 74 ILE HB 1.0 . 4.19 1499 1266 A 74 ILE HG1x A 74 ILE H 1.0 . 4.52 1500 1267 A 74 ILE H A 74 ILE HG1y 1.0 . 4.78 1501 1268 A 74 ILE H A 74 ILE HD1% 1.0 . 4.86 1502 1269 A 74 ILE H A 74 ILE HG2% 1.0 . 4.82 1503 1270 A 75 ARG H A 74 ILE H 1.0 . 3.23 1504 1271 A 74 ILE HG1x A 74 ILE HA 1.0 . 4.08 1505 1272 A 74 ILE HA A 74 ILE HG1y 1.0 . 4.08 1506 1273 A 74 ILE HA A 74 ILE HD1% 1.0 . 4.33 1507 1274 A 74 ILE HA A 74 ILE HG2% 1.0 . 3.79 1508 1275 A 74 ILE HB A 74 ILE HD1% 1.0 . 3.42 1509 1276 A 75 ARG H A 74 ILE HB 1.0 . 4.12 1510 1277 A 74 ILE HG1x A 75 ARG H 1.0 . 4.00 1511 1278 A 75 ARG H A 74 ILE HG1y 1.0 . 4.00 1512 1279 A 75 ARG H A 74 ILE HD1% 1.0 . 4.23 1513 1280 A 74 ILE HG1x A 74 ILE HG2% 1.0 . 3.64 1514 1281 A 74 ILE HG2% A 74 ILE HG1y 1.0 . 3.64 1515 1282 A 74 ILE HD1% A 74 ILE HG2% 1.0 . 4.44 1516 1283 A 75 ARG H A 74 ILE HG2% 1.0 . 4.71 1517 1284 A 75 ARG HBy A 75 ARG H 1.0 . 4.19 1518 1285 A 75 ARG H A 75 ARG HBx 1.0 . 3.83 1519 1286 A 75 ARG H A 75 ARG HDx 1.0 . 5.50 1520 1287 A 75 ARG H A 75 ARG HDy 1.0 . 5.50 1521 1288 A 75 ARG HGx A 75 ARG H 1.0 . 5.33 1522 1289 A 75 ARG H A 75 ARG HGy 1.0 . 5.33 1523 1290 A 75 ARG H A 75 ARG HBx 1.0 . 3.28 1524 1290 A 75 ARG HBy A 75 ARG H 1.0 . 3.28 1525 1291 A 76 ARG H A 75 ARG H 1.0 . 4.48 1526 1292 A 75 ARG HA A 75 ARG HDx 1.0 . 4.46 1527 1293 A 75 ARG HA A 75 ARG HDy 1.0 . 4.04 1528 1294 A 75 ARG HGx A 75 ARG HA 1.0 . 3.71 1529 1295 A 75 ARG HA A 75 ARG HGy 1.0 . 4.20 1530 1296 A 75 ARG HA A 75 ARG HBx 1.0 . 2.31 1531 1296 A 75 ARG HBy A 75 ARG HA 1.0 . 2.31 1532 1297 A 76 ARG H A 75 ARG HA 1.0 . 3.14 1533 1298 A 75 ARG HBy A 75 ARG HDx 1.0 . 3.47 1534 1299 A 75 ARG HBy A 75 ARG HDy 1.0 . 4.12 1535 1300 A 76 ARG H A 75 ARG HBy 1.0 . 3.89 1536 1301 A 75 ARG HBx A 75 ARG HDx 1.0 . 3.47 1537 1302 A 75 ARG HDy A 75 ARG HBx 1.0 . 3.47 1538 1303 A 76 ARG H A 75 ARG HBx 1.0 . 3.92 1539 1304 A 75 ARG HGx A 76 ARG H 1.0 . 2.60 1540 1305 A 76 ARG H A 75 ARG HGy 1.0 . 3.58 1541 1306 A 75 ARG HBy A 75 ARG HDx 1.0 . 2.62 1542 1306 A 75 ARG HBx A 75 ARG HDx 1.0 . 2.62 1543 1306 A 75 ARG HDy A 75 ARG HBx 1.0 . 2.62 1544 1306 A 75 ARG HBy A 75 ARG HDy 1.0 . 2.62 1545 1307 A 75 ARG HBy A 75 ARG HGy 1.0 . 2.06 1546 1307 A 75 ARG HBx A 75 ARG HGy 1.0 . 2.06 1547 1307 A 75 ARG HGx A 75 ARG HBx 1.0 . 2.06 1548 1307 A 75 ARG HGx A 75 ARG HBy 1.0 . 2.06 1549 1308 A 76 ARG H A 75 ARG HBx 1.0 . 3.42 1550 1308 A 76 ARG H A 75 ARG HBy 1.0 . 3.42 1551 1309 A 76 ARG H A 76 ARG HBx 1.0 . 3.73 1552 1310 A 76 ARG H A 76 ARG HBy 1.0 . 3.73 1553 1311 A 76 ARG H A 76 ARG HDx 1.0 . 5.21 1554 1312 A 76 ARG H A 76 ARG HDy 1.0 . 5.24 1555 1313 A 76 ARG H A 76 ARG HGx 1.0 . 5.16 1556 1314 A 76 ARG H A 76 ARG HGy 1.0 . 5.15 1557 1315 A 76 ARG H A 77 LEU H 1.0 . 4.55 1558 1316 A 76 ARG HDx A 76 ARG HA 1.0 . 4.45 1559 1317 A 76 ARG HDy A 76 ARG HA 1.0 . 3.91 1560 1318 A 76 ARG HA A 76 ARG HGx 1.0 . 4.25 1561 1319 A 76 ARG HA A 76 ARG HGy 1.0 . 3.60 1562 1320 A 76 ARG HA A 76 ARG HGy 1.0 . 3.48 1563 1320 A 76 ARG HA A 76 ARG HGx 1.0 . 3.48 1564 1321 A 77 LEU H A 76 ARG HA 1.0 . 3.36 1565 1322 A 76 ARG HBx A 77 LEU H 1.0 . 4.67 1566 1323 A 76 ARG HBy A 77 LEU H 1.0 . 4.47 1567 1324 A 76 ARG HDx A 77 LEU H 1.0 . 5.50 1568 1325 A 76 ARG HDx A 77 LEU HG 1.0 . 5.22 1569 1326 A 76 ARG HDy A 77 LEU H 1.0 . 5.50 1570 1327 A 76 ARG HDy A 77 LEU HG 1.0 . 6.11 1571 1328 A 77 LEU H A 76 ARG HGy 1.0 . 4.46 1572 1328 A 77 LEU H A 76 ARG HGx 1.0 . 4.46 1573 1329 A 77 LEU H A 77 LEU HBy 1.0 . 4.14 1574 1330 A 77 LEU H A 77 LEU HBx 1.0 . 4.14 1575 1331 A 77 LEU H A 77 LEU HG 1.0 . 4.68 1576 1332 A 77 LEU H A 77 LEU HBx 1.0 . 3.32 1577 1332 A 77 LEU H A 77 LEU HBy 1.0 . 3.32 1578 1333 A 77 LEU H A 77 LEU HDx% 1.0 . 4.52 1579 1334 A 77 LEU H A 77 LEU HDy% 1.0 . 4.52 1580 1335 A 77 LEU H A 77 LEU HDy% 1.0 . 3.81 1581 1335 A 77 LEU H A 77 LEU HDx% 1.0 . 3.81 1582 1336 A 77 LEU H A 78 LYS H 1.0 . 4.64 1583 1337 A 77 LEU HG A 77 LEU HA 1.0 . 3.58 1584 1338 A 77 LEU HDx% A 77 LEU HA 1.0 . 4.64 1585 1339 A 77 LEU HA A 77 LEU HDy% 1.0 . 4.64 1586 1340 A 77 LEU HA A 77 LEU HDy% 1.0 . 3.67 1587 1340 A 77 LEU HDx% A 77 LEU HA 1.0 . 3.67 1588 1341 A 78 LYS H A 77 LEU HA 1.0 . 3.22 1589 1342 A 77 LEU HG A 77 LEU HBy 1.0 . 2.87 1590 1343 A 77 LEU HBy A 77 LEU HDx% 1.0 . 4.19 1591 1344 A 77 LEU HBy A 77 LEU HDy% 1.0 . 4.19 1592 1345 A 77 LEU HG A 77 LEU HBx 1.0 . 3.01 1593 1346 A 77 LEU HDx% A 77 LEU HBx 1.0 . 4.19 1594 1347 A 77 LEU HBx A 77 LEU HDy% 1.0 . 4.19 1595 1348 A 77 LEU HG A 78 LYS H 1.0 . 3.49 1596 1349 A 77 LEU HG A 78 LYS HBx 1.0 . 4.31 1597 1349 A 77 LEU HG A 78 LYS HBy 1.0 . 4.31 1598 1350 A 77 LEU HG A 78 LYS HDx 1.0 . 4.50 1599 1350 A 77 LEU HG A 78 LYS HDy 1.0 . 4.50 1600 1351 A 77 LEU HG A 78 LYS HEy 1.0 . 4.56 1601 1351 A 77 LEU HG A 78 LYS HEx 1.0 . 4.56 1602 1352 A 78 LYS H A 77 LEU HBx 1.0 . 3.43 1603 1352 A 77 LEU HBy A 78 LYS H 1.0 . 3.43 1604 1353 A 77 LEU HDx% A 78 LYS H 1.0 . 4.89 1605 1354 A 78 LYS H A 77 LEU HDy% 1.0 . 4.89 1606 1355 A 78 LYS H A 77 LEU HDy% 1.0 . 4.05 1607 1355 A 77 LEU HDx% A 78 LYS H 1.0 . 4.05 1608 1356 A 77 LEU HDx% A 78 LYS HBx 1.0 . 4.22 1609 1356 A 78 LYS HBy A 77 LEU HDy% 1.0 . 4.22 1610 1356 A 77 LEU HDx% A 78 LYS HBy 1.0 . 4.22 1611 1356 A 77 LEU HDy% A 78 LYS HBx 1.0 . 4.22 1612 1357 A 77 LEU HDy% A 78 LYS HDx 1.0 . 4.35 1613 1357 A 78 LYS HDy A 77 LEU HDy% 1.0 . 4.35 1614 1357 A 77 LEU HDx% A 78 LYS HDy 1.0 . 4.35 1615 1357 A 77 LEU HDx% A 78 LYS HDx 1.0 . 4.35 1616 1358 A 77 LEU HDx% A 78 LYS HEy 1.0 . 4.61 1617 1358 A 77 LEU HDy% A 78 LYS HEy 1.0 . 4.61 1618 1358 A 78 LYS HEx A 77 LEU HDy% 1.0 . 4.61 1619 1358 A 77 LEU HDx% A 78 LYS HEx 1.0 . 4.61 1620 1359 A 80 THR HB A 77 LEU HDy% 1.0 . 4.30 1621 1359 A 77 LEU HDx% A 80 THR HB 1.0 . 4.30 1622 1360 A 78 LYS H A 78 LYS HBx 1.0 . 3.65 1623 1361 A 78 LYS H A 78 LYS HBy 1.0 . 3.65 1624 1362 A 78 LYS H A 78 LYS HDx 1.0 . 5.01 1625 1363 A 78 LYS H A 78 LYS HDy 1.0 . 5.25 1626 1364 A 78 LYS H A 78 LYS HEx 1.0 . 5.82 1627 1365 A 78 LYS H A 78 LYS HEy 1.0 . 6.08 1628 1366 A 78 LYS H A 79 GLY H 1.0 . 5.50 1629 1367 A 78 LYS HA A 78 LYS HBx 1.0 . 3.01 1630 1368 A 78 LYS HBy A 78 LYS HA 1.0 . 2.73 1631 1369 A 78 LYS HA A 78 LYS HDx 1.0 . 3.14 1632 1370 A 78 LYS HDy A 78 LYS HA 1.0 . 3.49 1633 1371 A 78 LYS HEx A 78 LYS HA 1.0 . 4.32 1634 1372 A 78 LYS HA A 78 LYS HEy 1.0 . 4.32 1635 1373 A 78 LYS HBx A 78 LYS HDx 1.0 . 4.04 1636 1374 A 78 LYS HDy A 78 LYS HBx 1.0 . 3.46 1637 1375 A 78 LYS HEx A 78 LYS HBx 1.0 . 4.85 1638 1376 A 78 LYS HBx A 78 LYS HEy 1.0 . 4.85 1639 1377 A 79 GLY H A 78 LYS HBx 1.0 . 4.67 1640 1378 A 78 LYS HBy A 78 LYS HDx 1.0 . 4.13 1641 1379 A 78 LYS HBy A 78 LYS HDy 1.0 . 4.00 1642 1380 A 78 LYS HBy A 78 LYS HEx 1.0 . 5.33 1643 1381 A 78 LYS HBy A 78 LYS HEy 1.0 . 5.15 1644 1382 A 78 LYS HBy A 79 GLY H 1.0 . 4.67 1645 1383 A 79 GLY H A 78 LYS HDx 1.0 . 5.50 1646 1384 A 78 LYS HDy A 79 GLY H 1.0 . 5.50 1647 1385 A 79 GLY H A 80 THR H 1.0 . 5.06 1648 1386 A 80 THR HB A 80 THR H 1.0 . 4.17 1649 1387 A 80 THR H A 80 THR HG2% 1.0 . 5.25 1650 1388 A 80 THR H A 81 SER H 1.0 . 4.49 1651 1389 A 80 THR HB A 80 THR HA 1.0 . 2.40 1652 1390 A 80 THR HG2% A 80 THR HA 1.0 . 4.16 1653 1391 A 81 SER HA A 81 SER HBx 1.0 . 2.94 1654 1392 A 81 SER HA A 81 SER HBy 1.0 . 2.94 1655 1393 A 82 ASP HA A 85 ILE HD1% 1.0 . 4.50 1656 1394 A 82 ASP HA A 85 ILE HG2% 1.0 . 4.79 1657 1395 A 85 ILE HD1% A 82 ASP HBy 1.0 . 4.22 1658 1395 A 85 ILE HD1% A 82 ASP HBx 1.0 . 4.22 1659 1396 A 85 ILE HG2% A 82 ASP HBy 1.0 . 5.27 1660 1396 A 85 ILE HG2% A 82 ASP HBx 1.0 . 5.27 1661 1397 A 83 ARG H A 83 ARG HBy 1.0 . 4.03 1662 1398 A 83 ARG H A 83 ARG HBx 1.0 . 4.06 1663 1399 A 83 ARG H A 83 ARG HDx 1.0 . 3.91 1664 1400 A 83 ARG H A 83 ARG HDy 1.0 . 4.20 1665 1401 A 83 ARG H A 83 ARG HGx 1.0 . 4.39 1666 1402 A 83 ARG H A 83 ARG HGy 1.0 . 4.39 1667 1403 A 83 ARG H A 83 ARG HBx 1.0 . 3.26 1668 1403 A 83 ARG H A 83 ARG HBy 1.0 . 3.26 1669 1404 A 83 ARG H A 84 THR H 1.0 . 4.47 1670 1405 A 83 ARG HBy A 83 ARG HA 1.0 . 3.02 1671 1406 A 83 ARG HA A 83 ARG HBx 1.0 . 2.67 1672 1407 A 83 ARG HA A 83 ARG HDx 1.0 . 4.47 1673 1408 A 83 ARG HA A 83 ARG HDy 1.0 . 4.67 1674 1409 A 83 ARG HGx A 83 ARG HA 1.0 . 3.70 1675 1410 A 83 ARG HGy A 83 ARG HA 1.0 . 4.23 1676 1411 A 83 ARG HBy A 83 ARG HDx 1.0 . 3.61 1677 1412 A 83 ARG HBy A 83 ARG HDy 1.0 . 3.80 1678 1413 A 83 ARG HGx A 83 ARG HBy 1.0 . 2.79 1679 1414 A 83 ARG HGy A 83 ARG HBy 1.0 . 3.01 1680 1415 A 83 ARG HBy A 84 THR H 1.0 . 3.77 1681 1416 A 83 ARG HBx A 83 ARG HDx 1.0 . 3.82 1682 1417 A 83 ARG HDy A 83 ARG HBx 1.0 . 3.60 1683 1418 A 83 ARG HGx A 83 ARG HBx 1.0 . 3.00 1684 1419 A 83 ARG HGy A 83 ARG HBx 1.0 . 2.78 1685 1420 A 84 THR H A 83 ARG HBx 1.0 . 3.77 1686 1421 A 84 THR H A 83 ARG HDx 1.0 . 4.12 1687 1422 A 84 THR H A 83 ARG HDy 1.0 . 3.87 1688 1423 A 83 ARG HGx A 83 ARG HDx 1.0 . 2.89 1689 1424 A 83 ARG HGx A 83 ARG HDy 1.0 . 2.89 1690 1425 A 83 ARG HGx A 84 THR H 1.0 . 4.86 1691 1426 A 83 ARG HGy A 83 ARG HDx 1.0 . 2.89 1692 1427 A 83 ARG HGy A 83 ARG HDy 1.0 . 2.89 1693 1428 A 83 ARG HGy A 84 THR H 1.0 . 4.39 1694 1429 A 84 THR H A 83 ARG HBx 1.0 . 3.44 1695 1429 A 83 ARG HBy A 84 THR H 1.0 . 3.44 1696 1430 A 85 ILE HD1% A 83 ARG HDx 1.0 . 4.05 1697 1430 A 85 ILE HD1% A 83 ARG HDy 1.0 . 4.05 1698 1431 A 85 ILE HG2% A 83 ARG HDx 1.0 . 4.05 1699 1431 A 85 ILE HG2% A 83 ARG HDy 1.0 . 4.05 1700 1432 A 84 THR H A 84 THR HB 1.0 . 3.91 1701 1433 A 84 THR H A 85 ILE H 1.0 . 2.87 1702 1434 A 84 THR H A 85 ILE HG1x 1.0 . 4.29 1703 1435 A 84 THR H A 85 ILE HG1y 1.0 . 4.54 1704 1436 A 84 THR HA A 84 THR HG2% 1.0 . 3.96 1705 1437 A 85 ILE H A 84 THR HA 1.0 . 3.56 1706 1438 A 84 THR HB A 85 ILE H 1.0 . 3.69 1707 1439 A 85 ILE H A 84 THR HG2% 1.0 . 4.61 1708 1440 A 84 THR HG2% A 85 ILE HA 1.0 . 4.06 1709 1441 A 84 THR HG2% A 85 ILE HB 1.0 . 5.01 1710 1442 A 85 ILE H A 85 ILE HB 1.0 . 3.97 1711 1443 A 85 ILE H A 85 ILE HG1x 1.0 . 4.55 1712 1444 A 85 ILE H A 85 ILE HG1y 1.0 . 4.55 1713 1445 A 85 ILE HD1% A 85 ILE H 1.0 . 5.58 1714 1446 A 85 ILE HG2% A 85 ILE H 1.0 . 5.58 1715 1447 A 85 ILE H A 86 SER H 1.0 . 4.62 1716 1448 A 85 ILE HG1x A 85 ILE HA 1.0 . 4.14 1717 1449 A 85 ILE HG1y A 85 ILE HA 1.0 . 4.14 1718 1450 A 85 ILE HD1% A 85 ILE HA 1.0 . 4.39 1719 1451 A 85 ILE HD1% A 85 ILE HB 1.0 . 3.99 1720 1452 A 85 ILE HB A 86 SER H 1.0 . 4.45 1721 1453 A 85 ILE HG1x A 86 SER H 1.0 . 5.39 1722 1454 A 85 ILE HG1y A 86 SER H 1.0 . 5.39 1723 1455 A 85 ILE HD1% A 86 SER H 1.0 . 5.82 1724 1456 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 4.44 1725 1457 A 86 SER H A 87 LYS H 1.0 . 3.18 1726 1458 A 86 SER HA A 86 SER HBx 1.0 . 2.99 1727 1459 A 86 SER HA A 86 SER HBy 1.0 . 2.99 1728 1460 A 87 LYS H A 86 SER HBx 1.0 . 4.80 1729 1461 A 87 LYS H A 86 SER HBy 1.0 . 4.80 1730 1462 A 87 LYS H A 87 LYS HEx 1.0 . 5.50 1731 1463 A 87 LYS H A 87 LYS HEy 1.0 . 5.50 1732 1464 A 87 LYS H A 87 LYS HGx 1.0 . 5.50 1733 1465 A 87 LYS H A 87 LYS HGy 1.0 . 5.50 1734 1466 A 87 LYS HA A 87 LYS HBx 1.0 . 2.86 1735 1467 A 87 LYS HA A 87 LYS HBy 1.0 . 2.92 1736 1468 A 87 LYS HEx A 87 LYS HA 1.0 . 5.50 1737 1469 A 87 LYS HEy A 87 LYS HA 1.0 . 5.50 1738 1470 A 87 LYS HGx A 87 LYS HA 1.0 . 3.51 1739 1471 A 87 LYS HGy A 87 LYS HA 1.0 . 3.51 1740 1472 A 87 LYS HEx A 87 LYS HBx 1.0 . 5.44 1741 1473 A 87 LYS HEy A 87 LYS HBx 1.0 . 5.44 1742 1474 A 87 LYS HEx A 87 LYS HBy 1.0 . 5.44 1743 1475 A 87 LYS HEy A 87 LYS HBy 1.0 . 5.44 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 11 PHE O A 61 MET N 1.0 . 3.5 2 2 A 11 PHE H A 61 MET O 1.0 . 2.5 3 3 A 61 MET O A 11 PHE N 1.0 . 3.5 4 4 A 59 VAL H A 13 VAL O 1.0 . 2.5 5 5 A 13 VAL O A 59 VAL N 1.0 . 3.5 6 6 A 13 VAL H A 59 VAL O 1.0 . 2.5 7 7 A 59 VAL O A 13 VAL N 1.0 . 3.5 8 8 A 57 VAL H A 15 GLY O 1.0 . 2.5 9 9 A 15 GLY O A 57 VAL N 1.0 . 3.5 10 10 A 15 GLY H A 57 VAL O 1.0 . 2.5 11 11 A 57 VAL O A 15 GLY N 1.0 . 3.5 12 12 A 17 VAL H A 55 ASP O 1.0 . 2.5 13 13 A 55 ASP O A 17 VAL N 1.0 . 3.5 14 14 A 29 LYS H A 16 ALA O 1.0 . 2.5 15 15 A 16 ALA O A 29 LYS N 1.0 . 3.5 16 16 A 16 ALA H A 29 LYS O 1.0 . 2.5 17 17 A 29 LYS O A 16 ALA N 1.0 . 3.5 18 18 A 27 ARG H A 19 ALA O 1.0 . 2.5 19 19 A 19 ALA O A 27 ARG N 1.0 . 3.5 20 20 A 19 ALA H A 27 ARG O 1.0 . 2.5 21 21 A 27 ARG O A 19 ALA N 1.0 . 3.5 22 22 A 25 GLU H A 21 LEU O 1.0 . 2.5 23 23 A 21 LEU O A 25 GLU N 1.0 . 3.5 24 24 A 21 LEU H A 25 GLU O 1.0 . 2.5 25 25 A 25 GLU O A 21 LEU N 1.0 . 3.5 26 26 A 38 CYS H A 26 PHE O 1.0 . 2.5 27 27 A 26 PHE O A 38 CYS N 1.0 . 3.5 28 28 A 26 PHE H A 38 CYS O 1.0 . 2.5 29 29 A 38 CYS O A 26 PHE N 1.0 . 3.5 30 30 A 18 THR H A 27 ARG O 1.0 . 2.5 31 31 A 27 ARG O A 18 THR N 1.0 . 3.5 32 32 A 36 ILE H A 28 VAL O 1.0 . 2.5 33 33 A 28 VAL O A 36 ILE N 1.0 . 3.5 34 34 A 28 VAL H A 36 ILE O 1.0 . 2.5 35 35 A 36 ILE O A 28 VAL N 1.0 . 3.5 36 36 A 34 HIS H A 30 LEU O 1.0 . 2.5 37 37 A 30 LEU O A 34 HIS N 1.0 . 3.5 38 38 A 30 LEU H A 34 HIS O 1.0 . 2.5 39 39 A 34 HIS O A 30 LEU N 1.0 . 3.5 40 40 A 39 HIS H A 71 GLY O 1.0 . 2.5 41 41 A 71 GLY O A 39 HIS N 1.0 . 3.5 42 42 A 37 ILE H A 69 LYS O 1.0 . 2.5 43 43 A 69 LYS O A 37 ILE N 1.0 . 3.5 44 44 A 71 GLY H A 37 ILE O 1.0 . 2.5 45 45 A 37 ILE O A 71 GLY N 1.0 . 3.5 46 46 A 73 ILE H A 39 HIS O 1.0 . 2.5 47 47 A 39 HIS O A 73 ILE N 1.0 . 3.5 48 48 A 72 ARG H A 60 GLU O 1.0 . 2.5 49 49 A 60 GLU O A 72 ARG N 1.0 . 3.5 50 50 A 60 GLU H A 72 ARG O 1.0 . 2.5 51 51 A 72 ARG O A 60 GLU N 1.0 . 3.5 52 52 A 46 ARG H A 43 LYS O 1.0 . 2.5 53 53 A 43 LYS O A 46 ARG N 1.0 . 3.5 54 54 A 47 SER H A 44 VAL O 1.0 . 2.5 55 55 A 44 VAL O A 47 SER N 1.0 . 3.5 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 2 VAL C A 3 LYS N A 3 LYS CA A 3 LYS C 1.0 -170.4 -30.4 PHI 2 2 A 3 LYS N A 3 LYS CA A 3 LYS C A 4 ASP N 1.0 71.4 185.3 PSI 3 3 A 4 ASP C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -88.0 -48.0 PHI 4 4 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 LYS N 1.0 -60.6 -15.6 PSI 5 5 A 8 LYS C A 9 THR N A 9 THR CA A 9 THR C 1.0 -166.6 -26.6 PHI 6 6 A 9 THR N A 9 THR CA A 9 THR C A 10 LEU N 1.0 67.5 207.5 PSI 7 7 A 9 THR C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -150.3 -78.9 PHI 8 8 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 PHE N 1.0 113.5 182.6 PSI 9 9 A 10 LEU C A 11 PHE N A 11 PHE CA A 11 PHE C 1.0 -156.0 -84.4 PHI 10 10 A 11 PHE N A 11 PHE CA A 11 PHE C A 12 GLU N 1.0 125.3 174.6 PSI 11 11 A 11 PHE C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -161.0 -70.7 PHI 12 12 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 VAL N 1.0 105.3 175.4 PSI 13 13 A 12 GLU C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -151.4 -111.4 PHI 14 14 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 GLU N 1.0 136.9 176.9 PSI 15 15 A 13 VAL C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -166.0 -94.1 PHI 16 16 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLY N 1.0 114.7 180.8 PSI 17 17 A 15 GLY C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -162.7 -77.5 PHI 18 18 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 VAL N 1.0 124.3 164.3 PSI 19 19 A 16 ALA C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -101.9 -52.3 PHI 20 20 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 THR N 1.0 102.4 142.4 PSI 21 21 A 17 VAL C A 18 THR N A 18 THR CA A 18 THR C 1.0 -126.3 -81.2 PHI 22 22 A 18 THR N A 18 THR CA A 18 THR C A 19 ALA N 1.0 -47.6 9.9 PSI 23 23 A 18 THR C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -197.5 -103.8 PHI 24 24 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 LEU N 1.0 128.0 168.0 PSI 25 25 A 19 ALA C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -153.4 -54.7 PHI 26 26 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LEU N 1.0 86.7 154.6 PSI 27 27 A 20 LEU C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -128.4 -54.4 PHI 28 28 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 PRO N 1.0 85.1 169.0 PSI 29 29 A 24 ALA C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -168.8 -71.3 PHI 30 30 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 PHE N 1.0 137.2 188.6 PSI 31 31 A 25 GLU C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -179.1 -94.6 PHI 32 32 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 ARG N 1.0 112.0 162.3 PSI 33 33 A 26 PHE C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -142.3 -59.3 PHI 34 34 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 VAL N 1.0 103.4 144.7 PSI 35 35 A 27 ARG C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -146.2 -96.1 PHI 36 36 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 LYS N 1.0 103.1 155.5 PSI 37 37 A 28 VAL C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -131.4 -58.5 PHI 38 38 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 LEU N 1.0 100.2 140.2 PSI 39 39 A 30 LEU C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -87.1 -47.1 PHI 40 40 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ASN N 1.0 -58.3 13.0 PSI 41 41 A 31 ASP C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -111.7 -69.3 PHI 42 42 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 GLU N 1.0 -18.1 38.2 PSI 43 43 A 33 GLU C A 34 HIS N A 34 HIS CA A 34 HIS C 1.0 -128.3 -50.6 PHI 44 44 A 34 HIS N A 34 HIS CA A 34 HIS C A 35 GLU N 1.0 119.6 168.5 PSI 45 45 A 34 HIS C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -166.8 -78.3 PHI 46 46 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 126.5 167.9 PSI 47 47 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -157.8 -117.7 PHI 48 48 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ILE N 1.0 136.0 176.0 PSI 49 49 A 36 ILE C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -135.5 -65.1 PHI 50 50 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 CYS N 1.0 109.5 149.5 PSI 51 51 A 37 ILE C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -156.7 -98.5 PHI 52 52 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 HIS N 1.0 142.3 184.9 PSI 53 53 A 38 CYS C A 39 HIS N A 39 HIS CA A 39 HIS C 1.0 -155.6 -106.7 PHI 54 54 A 39 HIS N A 39 HIS CA A 39 HIS C A 40 VAL N 1.0 121.4 178.5 PSI 55 55 A 39 HIS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -151.0 -72.1 PHI 56 56 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 SER N 1.0 119.7 171.5 PSI 57 57 A 40 VAL C A 41 SER N A 41 SER CA A 41 SER C 1.0 -190.1 -50.1 PHI 58 58 A 41 SER N A 41 SER CA A 41 SER C A 42 GLY N 1.0 56.5 216.5 PSI 59 59 A 41 SER C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -163.5 -23.5 PHI 60 60 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 LYS N 1.0 71.7 254.1 PSI 61 61 A 42 GLY C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -77.7 -37.7 PHI 62 62 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 -58.8 -18.8 PSI 63 63 A 43 LYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -84.2 -44.2 PHI 64 64 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 ARG N 1.0 -63.0 -23.0 PSI 65 65 A 44 VAL C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -84.9 -44.9 PHI 66 66 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 ARG N 1.0 -55.0 -15.0 PSI 67 67 A 45 ARG C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -86.9 -46.9 PHI 68 68 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 SER N 1.0 -53.3 0.6 PSI 69 69 A 46 ARG C A 47 SER N A 47 SER CA A 47 SER C 1.0 -116.8 -65.0 PHI 70 70 A 47 SER N A 47 SER CA A 47 SER C A 48 LYS N 1.0 -23.3 22.6 PSI 71 71 A 48 LYS C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -155.7 -65.9 PHI 72 72 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 ARG N 1.0 97.2 180.2 PSI 73 73 A 49 ILE C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -134.9 -75.9 PHI 74 74 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ILE N 1.0 78.8 144.6 PSI 75 75 A 50 ARG C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -121.9 -72.5 PHI 76 76 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ILE N 1.0 112.3 152.3 PSI 77 77 A 51 ILE C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -170.4 -77.6 PHI 78 78 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ILE N 1.0 148.9 189.8 PSI 79 79 A 52 ILE C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -77.1 -37.1 PHI 80 80 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 GLY N 1.0 115.0 155.0 PSI 81 81 A 55 ASP C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -139.0 -76.3 PHI 82 82 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 VAL N 1.0 111.1 188.5 PSI 83 83 A 56 ARG C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -158.7 -118.7 PHI 84 84 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 LEU N 1.0 144.7 184.7 PSI 85 85 A 57 VAL C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -159.8 -108.1 PHI 86 86 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 VAL N 1.0 106.8 148.0 PSI 87 87 A 58 LEU C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -139.5 -96.6 PHI 88 88 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 GLU N 1.0 110.1 150.1 PSI 89 89 A 59 VAL C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -141.7 -98.7 PHI 90 90 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 MET N 1.0 109.6 159.2 PSI 91 91 A 60 GLU C A 61 MET N A 61 MET CA A 61 MET C 1.0 -176.2 -105.9 PHI 92 92 A 61 MET N A 61 MET CA A 61 MET C A 62 SER N 1.0 131.5 171.5 PSI 93 93 A 61 MET C A 62 SER N A 62 SER CA A 62 SER C 1.0 -98.8 -58.8 PHI 94 94 A 62 SER N A 62 SER CA A 62 SER C A 63 ILE N 1.0 120.8 210.0 PSI 95 95 A 62 SER C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -77.9 -37.9 PHI 96 96 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 TYR N 1.0 -64.7 2.7 PSI 97 97 A 63 ILE C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -100.5 -48.8 PHI 98 98 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 ASP N 1.0 -92.1 45.2 PSI 99 99 A 64 TYR C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -147.8 13.1 PHI 100 100 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 ARG N 1.0 -68.3 -5.8 PSI 101 101 A 65 ASP C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -79.8 -39.8 PHI 102 102 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ASN N 1.0 -69.5 -4.5 PSI 103 103 A 66 ARG C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -98.6 -52.3 PHI 104 104 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 ALA N 1.0 -53.4 24.8 PSI 105 105 A 67 ASN C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -118.6 -39.0 PHI 106 106 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 LYS N 1.0 -53.2 28.7 PSI 107 107 A 69 LYS C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -179.4 -90.3 PHI 108 108 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 GLY N 1.0 131.7 184.6 PSI 109 109 A 70 LYS C A 71 GLY N A 71 GLY CA A 71 GLY C 1.0 -216.4 -118.2 PHI 110 110 A 71 GLY N A 71 GLY CA A 71 GLY C A 72 ARG N 1.0 141.4 181.4 PSI 111 111 A 71 GLY C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -161.0 -94.3 PHI 112 112 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 ILE N 1.0 108.9 179.3 PSI 113 113 A 72 ARG C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -113.6 -34.8 PHI 114 114 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ILE N 1.0 91.0 182.1 PSI 115 115 A 73 ILE C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -140.6 -89.6 PHI 116 116 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 ARG N 1.0 -63.9 27.1 PSI 117 117 A 74 ILE C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -183.0 -114.9 PHI 118 118 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 ARG N 1.0 113.2 171.8 PSI 119 119 A 75 ARG C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -156.2 -72.4 PHI 120 120 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 LEU N 1.0 93.2 146.9 PSI 121 121 A 76 ARG C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -143.3 -44.9 PHI 122 122 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 LYS N 1.0 98.6 179.1 PSI 123 123 A 77 LEU C A 78 LYS N A 78 LYS CA A 78 LYS C 1.0 -164.4 -26.6 PHI 124 124 A 78 LYS N A 78 LYS CA A 78 LYS C A 79 GLY N 1.0 110.4 178.1 PSI 125 125 A 81 SER C A 82 ASP N A 82 ASP CA A 82 ASP C 1.0 -92.2 -49.5 PHI 126 126 A 82 ASP N A 82 ASP CA A 82 ASP C A 83 ARG N 1.0 -71.5 12.2 PSI stop_ save_