data_nef_c25908_2n9j save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25907 PDB 2N9J stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 18 HIS NE2 2 1 HEC FE 1 80 MET SD 2 1 HEC FE 1 14 CYS SG 2 1 HEC CAB 1 17 CYS SG 2 1 HEC CAC stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 LYS middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 LYS middle . . 9 A 9 ILE middle . . 10 A 10 PHE middle . . 11 A 11 ILE middle . . 12 A 12 MET middle . . 13 A 13 LYS middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 CYS middle -HG . 18 A 18 HIS middle -HE2 . 19 A 19 THR middle . . 20 A 20 VAL middle . . 21 A 21 GLU middle . . 22 A 22 LYS middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 LYS middle . . 26 A 26 HIS middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 GLY middle . false 30 A 30 PRO middle . false 31 A 31 ASN middle . . 32 A 32 LEU middle . . 33 A 33 HIS middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 PHE middle . . 37 A 37 GLY middle . false 38 A 38 ARG middle . . 39 A 39 LYS middle . . 40 A 40 THR middle . . 41 A 41 GLY middle . false 42 A 42 GLN middle . . 43 A 43 ALA middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 TYR middle . . 47 A 47 SER middle . . 48 A 48 TYR middle . . 49 A 49 THR middle . . 50 A 50 ALA middle . . 51 A 51 ALA middle . . 52 A 52 ASN middle . . 53 A 53 LYS middle . . 54 A 54 ASN middle . . 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 ILE middle . . 58 A 58 ILE middle . . 59 A 59 TRP middle . . 60 A 60 GLY middle . false 61 A 61 GLU middle . . 62 A 62 ASP middle . . 63 A 63 THR middle . . 64 A 64 LEU middle . . 65 A 65 MET middle . . 66 A 66 GLU middle . . 67 A 67 TYR middle . . 68 A 68 LEU middle . . 69 A 69 GLU middle . . 70 A 70 ASN middle . . 71 A 71 PRO middle . false 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 TYR middle . . 75 A 75 ILE middle . . 76 A 76 PRO middle . false 77 A 77 GLY middle . false 78 A 78 THR middle . . 79 A 79 LYS middle . . 80 A 80 MET middle . . 81 A 81 ILE middle . . 82 A 82 PHE middle . . 83 A 83 VAL middle . . 84 A 84 GLY middle . false 85 A 85 ILE middle . . 86 A 86 LYS middle . . 87 A 87 LYS middle . . 88 A 88 LYS middle . . 89 A 89 GLU middle . . 90 A 90 GLU middle . . 91 A 91 ARG middle . . 92 A 92 ALA middle . . 93 A 93 ASP middle . . 94 A 94 LEU middle . . 95 A 95 ILE middle . . 96 A 96 ALA middle . . 97 A 97 TYR middle . . 98 A 98 LEU middle . . 99 A 99 LYS middle . . 100 A 100 LYS middle . . 101 A 101 ALA middle . . 102 A 102 THR middle . . 103 A 103 ASN middle . . 104 A 104 GLU end . . 105 B 1 HEC . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 3.650 0.01 A 1 GLY HAx H 1 3.242 0.01 A 1 GLY C C 13 168.668 0.1 A 1 GLY CA C 13 43.254 0.1 A 2 ASP H H 1 9.459 0.01 A 2 ASP HA H 1 4.772 0.01 A 2 ASP HBx H 1 2.360 0.01 A 2 ASP HBy H 1 2.713 0.01 A 2 ASP C C 13 175.821 0.1 A 2 ASP CA C 13 53.074 0.1 A 2 ASP CB C 13 42.661 0.1 A 2 ASP N N 15 124.732 0.1 A 3 VAL H H 1 8.543 0.01 A 3 VAL HA H 1 3.512 0.01 A 3 VAL HB H 1 2.130 0.01 A 3 VAL HGx% H 1 1.024 0.01 A 3 VAL HGy% H 1 0.989 0.01 A 3 VAL C C 13 177.452 0.1 A 3 VAL CA C 13 66.240 0.1 A 3 VAL CB C 13 32.235 0.1 A 3 VAL CGy C 13 22.062 0.1 A 3 VAL CGx C 13 21.905 0.1 A 3 VAL N N 15 123.829 0.1 A 4 GLU H H 1 8.093 0.01 A 4 GLU HA H 1 4.065 0.01 A 4 GLU HBx H 1 2.061 0.01 A 4 GLU HBy H 1 2.099 0.01 A 4 GLU HGx H 1 2.263 0.01 A 4 GLU HGy H 1 2.319 0.01 A 4 GLU C C 13 180.225 0.1 A 4 GLU CA C 13 59.202 0.1 A 4 GLU CB C 13 28.791 0.1 A 4 GLU CG C 13 36.248 0.1 A 4 GLU N N 15 120.429 0.1 A 5 LYS H H 1 8.084 0.01 A 5 LYS HA H 1 3.878 0.01 A 5 LYS HBx H 1 1.649 0.01 A 5 LYS HBy H 1 1.649 0.01 A 5 LYS HDx H 1 1.599 0.01 A 5 LYS HDy H 1 1.599 0.01 A 5 LYS HEx H 1 2.878 0.01 A 5 LYS HEy H 1 2.878 0.01 A 5 LYS HGx H 1 1.275 0.01 A 5 LYS HGy H 1 1.438 0.01 A 5 LYS C C 13 180.549 0.1 A 5 LYS CA C 13 59.760 0.1 A 5 LYS CB C 13 32.629 0.1 A 5 LYS CD C 13 29.301 0.1 A 5 LYS CE C 13 41.988 0.1 A 5 LYS CG C 13 26.180 0.1 A 5 LYS N N 15 121.158 0.1 A 6 GLY H H 1 8.643 0.01 A 6 GLY HAy H 1 3.925 0.01 A 6 GLY HAx H 1 3.241 0.01 A 6 GLY C C 13 174.150 0.1 A 6 GLY CA C 13 46.632 0.1 A 6 GLY N N 15 107.146 0.1 A 7 LYS H H 1 8.013 0.01 A 7 LYS HA H 1 2.223 0.01 A 7 LYS HBx H 1 1.405 0.01 A 7 LYS HBy H 1 1.759 0.01 A 7 LYS HDx H 1 1.702 0.01 A 7 LYS HDy H 1 1.702 0.01 A 7 LYS HEx H 1 2.991 0.01 A 7 LYS HEy H 1 2.991 0.01 A 7 LYS HGx H 1 0.914 0.01 A 7 LYS HGy H 1 1.134 0.01 A 7 LYS C C 13 177.668 0.1 A 7 LYS CA C 13 59.320 0.1 A 7 LYS CB C 13 32.376 0.1 A 7 LYS CD C 13 29.704 0.1 A 7 LYS CE C 13 42.172 0.1 A 7 LYS CG C 13 24.409 0.1 A 7 LYS N N 15 124.244 0.1 A 8 LYS H H 1 6.948 0.01 A 8 LYS HA H 1 3.862 0.01 A 8 LYS HBx H 1 1.848 0.01 A 8 LYS HBy H 1 1.848 0.01 A 8 LYS HDx H 1 1.596 0.01 A 8 LYS HDy H 1 1.596 0.01 A 8 LYS HEx H 1 2.926 0.01 A 8 LYS HEy H 1 2.926 0.01 A 8 LYS HGx H 1 1.367 0.01 A 8 LYS HGy H 1 1.550 0.01 A 8 LYS C C 13 179.249 0.1 A 8 LYS CA C 13 59.776 0.1 A 8 LYS CB C 13 31.983 0.1 A 8 LYS CD C 13 29.250 0.1 A 8 LYS CE C 13 42.109 0.1 A 8 LYS CG C 13 25.425 0.1 A 8 LYS N N 15 117.162 0.1 A 9 ILE H H 1 7.571 0.01 A 9 ILE HA H 1 3.443 0.01 A 9 ILE HB H 1 1.610 0.01 A 9 ILE HD1% H 1 0.716 0.01 A 9 ILE HG1x H 1 0.892 0.01 A 9 ILE HG1y H 1 1.579 0.01 A 9 ILE HG2% H 1 0.386 0.01 A 9 ILE C C 13 176.967 0.1 A 9 ILE CA C 13 64.901 0.1 A 9 ILE CB C 13 37.461 0.1 A 9 ILE CD1 C 13 14.187 0.1 A 9 ILE CG1 C 13 28.007 0.1 A 9 ILE CG2 C 13 18.193 0.1 A 9 ILE N N 15 119.078 0.1 A 10 PHE H H 1 8.464 0.01 A 10 PHE HA H 1 3.450 0.01 A 10 PHE HBx H 1 2.762 0.01 A 10 PHE HBy H 1 3.144 0.01 A 10 PHE HDx H 1 6.918 0.01 A 10 PHE HDy H 1 7.464 0.01 A 10 PHE HEy H 1 8.250 0.01 A 10 PHE HEx H 1 7.704 0.01 A 10 PHE HZ H 1 8.689 0.01 A 10 PHE C C 13 179.019 0.1 A 10 PHE CA C 13 62.577 0.1 A 10 PHE CB C 13 39.612 0.1 A 10 PHE CDx C 13 131.099 0.1 A 10 PHE CDy C 13 133.952 0.1 A 10 PHE CEy C 13 132.758 0.1 A 10 PHE CEx C 13 131.257 0.1 A 10 PHE CZ C 13 131.711 0.1 A 10 PHE N N 15 120.632 0.1 A 11 ILE H H 1 9.008 0.01 A 11 ILE HA H 1 3.714 0.01 A 11 ILE HB H 1 2.020 0.01 A 11 ILE HD1% H 1 1.015 0.01 A 11 ILE HG1x H 1 1.530 0.01 A 11 ILE HG1y H 1 2.028 0.01 A 11 ILE HG2% H 1 1.035 0.01 A 11 ILE C C 13 179.102 0.1 A 11 ILE CA C 13 65.925 0.1 A 11 ILE CB C 13 38.001 0.1 A 11 ILE CD1 C 13 13.227 0.1 A 11 ILE CG1 C 13 29.230 0.1 A 11 ILE CG2 C 13 16.840 0.1 A 11 ILE N N 15 121.812 0.1 A 12 MET H H 1 8.034 0.01 A 12 MET HA H 1 4.239 0.01 A 12 MET HBx H 1 1.983 0.01 A 12 MET HBy H 1 2.106 0.01 A 12 MET HE% H 1 2.026 0.01 A 12 MET HGx H 1 2.511 0.01 A 12 MET HGy H 1 2.684 0.01 A 12 MET C C 13 178.041 0.1 A 12 MET CA C 13 58.628 0.1 A 12 MET CB C 13 33.739 0.1 A 12 MET CE C 13 16.566 0.1 A 12 MET CG C 13 31.706 0.1 A 12 MET N N 15 117.324 0.1 A 13 LYS H H 1 8.586 0.01 A 13 LYS HA H 1 4.364 0.01 A 13 LYS HBx H 1 0.861 0.01 A 13 LYS HBy H 1 1.205 0.01 A 13 LYS HDx H 1 1.095 0.01 A 13 LYS HDy H 1 1.272 0.01 A 13 LYS HEx H 1 2.715 0.01 A 13 LYS HEy H 1 2.715 0.01 A 13 LYS HGx H 1 1.123 0.01 A 13 LYS HGy H 1 1.123 0.01 A 13 LYS C C 13 176.828 0.1 A 13 LYS CA C 13 56.786 0.1 A 13 LYS CB C 13 34.410 0.1 A 13 LYS CD C 13 29.196 0.1 A 13 LYS CE C 13 42.096 0.1 A 13 LYS CG C 13 26.124 0.1 A 13 LYS N N 15 112.586 0.1 A 14 CYS H H 1 7.949 0.01 A 14 CYS HA H 1 4.519 0.01 A 14 CYS HBy H 1 2.941 0.01 A 14 CYS HBx H 1 1.786 0.01 A 14 CYS C C 13 179.223 0.1 A 14 CYS CA C 13 54.588 0.1 A 14 CYS CB C 13 37.593 0.1 A 14 CYS N N 15 114.473 0.1 A 15 SER H H 1 8.093 0.01 A 15 SER HA H 1 5.882 0.01 A 15 SER HBx H 1 4.483 0.01 A 15 SER HBy H 1 4.896 0.01 A 15 SER C C 13 175.921 0.1 A 15 SER CA C 13 62.526 0.1 A 15 SER CB C 13 63.618 0.1 A 15 SER N N 15 116.439 0.1 A 16 GLN H H 1 10.050 0.01 A 16 GLN HA H 1 4.752 0.01 A 16 GLN HBx H 1 2.434 0.01 A 16 GLN HBy H 1 2.631 0.01 A 16 GLN HE2y H 1 7.580 0.01 A 16 GLN HE2x H 1 6.855 0.01 A 16 GLN HGx H 1 2.828 0.01 A 16 GLN HGy H 1 2.899 0.01 A 16 GLN C C 13 178.097 0.1 A 16 GLN CA C 13 59.355 0.1 A 16 GLN CB C 13 28.681 0.1 A 16 GLN CD C 13 180.294 0.1 A 16 GLN CG C 13 34.128 0.1 A 16 GLN N N 15 122.753 0.1 A 16 GLN NE2 N 15 111.176 0.1 A 17 CYS H H 1 9.490 0.01 A 17 CYS HA H 1 5.913 0.01 A 17 CYS HBy H 1 6.792 0.01 A 17 CYS HBx H 1 1.908 0.01 A 17 CYS C C 13 175.944 0.1 A 17 CYS CA C 13 57.994 0.1 A 17 CYS CB C 13 36.043 0.1 A 17 CYS N N 15 113.526 0.1 A 18 HIS H H 1 10.831 0.01 A 18 HIS HA H 1 9.087 0.01 A 18 HIS HBx H 1 -2.168 0.01 A 18 HIS HBy H 1 8.919 0.01 A 18 HIS C C 13 177.107 0.1 A 18 HIS CA C 13 76.718 0.1 A 18 HIS CB C 13 27.171 0.1 A 18 HIS N N 15 118.372 0.1 A 19 THR H H 1 10.547 0.01 A 19 THR HA H 1 6.248 0.01 A 19 THR HB H 1 5.547 0.01 A 19 THR HG2% H 1 2.216 0.01 A 19 THR C C 13 176.141 0.1 A 19 THR CA C 13 60.900 0.1 A 19 THR CB C 13 72.755 0.1 A 19 THR CG2 C 13 22.783 0.1 A 19 THR N N 15 113.647 0.1 A 20 VAL H H 1 8.908 0.01 A 20 VAL HA H 1 4.995 0.01 A 20 VAL HB H 1 2.207 0.01 A 20 VAL HGx% H 1 0.945 0.01 A 20 VAL HGy% H 1 1.017 0.01 A 20 VAL CA C 13 62.270 0.1 A 20 VAL CB C 13 34.662 0.1 A 20 VAL CGy C 13 23.258 0.1 A 20 VAL CGx C 13 18.954 0.1 A 20 VAL N N 15 111.993 0.1 A 21 GLU H H 1 9.398 0.01 A 21 GLU HA H 1 4.622 0.01 A 21 GLU HBx H 1 2.222 0.01 A 21 GLU HBy H 1 2.222 0.01 A 21 GLU HGx H 1 2.541 0.01 A 21 GLU HGy H 1 2.541 0.01 A 21 GLU C C 13 178.210 0.1 A 21 GLU CA C 13 57.253 0.1 A 21 GLU CB C 13 30.433 0.1 A 21 GLU CG C 13 36.421 0.1 A 22 LYS H H 1 9.055 0.01 A 22 LYS HA H 1 3.358 0.01 A 22 LYS HBx H 1 0.707 0.01 A 22 LYS HBy H 1 1.475 0.01 A 22 LYS HDx H 1 1.567 0.01 A 22 LYS HDy H 1 1.567 0.01 A 22 LYS HEx H 1 2.936 0.01 A 22 LYS HEy H 1 2.936 0.01 A 22 LYS HGx H 1 0.947 0.01 A 22 LYS HGy H 1 1.118 0.01 A 22 LYS C C 13 178.120 0.1 A 22 LYS CA C 13 58.460 0.1 A 22 LYS CB C 13 31.439 0.1 A 22 LYS CD C 13 29.377 0.1 A 22 LYS CE C 13 42.026 0.1 A 22 LYS CG C 13 24.560 0.1 A 22 LYS N N 15 126.825 0.1 A 23 GLY H H 1 9.391 0.01 A 23 GLY HAy H 1 4.063 0.01 A 23 GLY HAx H 1 3.736 0.01 A 23 GLY C C 13 175.079 0.1 A 23 GLY CA C 13 45.431 0.1 A 23 GLY N N 15 117.704 0.1 A 24 GLY H H 1 8.297 0.01 A 24 GLY HAy H 1 4.229 0.01 A 24 GLY HAx H 1 3.699 0.01 A 24 GLY C C 13 172.870 0.1 A 24 GLY CA C 13 44.903 0.1 A 24 GLY N N 15 107.869 0.1 A 25 LYS H H 1 8.796 0.01 A 25 LYS HA H 1 4.236 0.01 A 25 LYS HBx H 1 1.886 0.01 A 25 LYS HBy H 1 2.027 0.01 A 25 LYS HDx H 1 1.616 0.01 A 25 LYS HDy H 1 1.795 0.01 A 25 LYS HEx H 1 3.102 0.01 A 25 LYS HEy H 1 3.102 0.01 A 25 LYS HGx H 1 1.608 0.01 A 25 LYS HGy H 1 1.663 0.01 A 25 LYS C C 13 179.534 0.1 A 25 LYS CA C 13 56.233 0.1 A 25 LYS CB C 13 33.575 0.1 A 25 LYS CD C 13 29.229 0.1 A 25 LYS CE C 13 42.190 0.1 A 25 LYS CG C 13 24.871 0.1 A 25 LYS N N 15 118.938 0.1 A 26 HIS H H 1 8.832 0.01 A 26 HIS HA H 1 5.038 0.01 A 26 HIS HBx H 1 2.726 0.01 A 26 HIS HBy H 1 3.074 0.01 A 26 HIS HD2 H 1 6.958 0.01 A 26 HIS HE1 H 1 7.621 0.01 A 26 HIS C C 13 175.836 0.1 A 26 HIS CA C 13 56.404 0.1 A 26 HIS CB C 13 30.930 0.1 A 26 HIS CD2 C 13 118.695 0.1 A 26 HIS CE1 C 13 138.129 0.1 A 26 HIS N N 15 122.119 0.1 A 27 LYS H H 1 8.156 0.01 A 27 LYS HA H 1 4.697 0.01 A 27 LYS HBx H 1 2.082 0.01 A 27 LYS HBy H 1 2.447 0.01 A 27 LYS HDx H 1 2.195 0.01 A 27 LYS HDy H 1 2.331 0.01 A 27 LYS HEx H 1 3.431 0.01 A 27 LYS HEy H 1 3.504 0.01 A 27 LYS HGx H 1 1.699 0.01 A 27 LYS HGy H 1 2.028 0.01 A 27 LYS CA C 13 55.342 0.1 A 27 LYS CB C 13 32.280 0.1 A 27 LYS CD C 13 30.577 0.1 A 27 LYS CE C 13 42.535 0.1 A 27 LYS CG C 13 25.311 0.1 A 27 LYS N N 15 126.150 0.1 A 28 THR HA H 1 3.089 0.01 A 28 THR HB H 1 2.955 0.01 A 28 THR HG2% H 1 -0.091 0.01 A 28 THR C C 13 173.617 0.1 A 28 THR CA C 13 66.214 0.1 A 28 THR CB C 13 68.813 0.1 A 28 THR CG2 C 13 20.848 0.1 A 29 GLY H H 1 7.232 0.01 A 29 GLY HAy H 1 -0.923 0.01 A 29 GLY HAx H 1 -3.936 0.01 A 29 GLY CA C 13 37.450 0.1 A 29 GLY N N 15 103.640 0.1 A 30 PRO HA H 1 3.746 0.01 A 30 PRO HBy H 1 1.413 0.01 A 30 PRO HBx H 1 -0.292 0.01 A 30 PRO HDy H 1 -1.785 0.01 A 30 PRO HDx H 1 -5.989 0.01 A 30 PRO HGx H 1 -0.877 0.01 A 30 PRO HGy H 1 -0.243 0.01 A 30 PRO C C 13 178.099 0.1 A 30 PRO CA C 13 60.400 0.1 A 30 PRO CB C 13 29.715 0.1 A 30 PRO CD C 13 47.638 0.1 A 30 PRO CG C 13 24.108 0.1 A 31 ASN H H 1 11.702 0.01 A 31 ASN HA H 1 5.965 0.01 A 31 ASN HBx H 1 2.557 0.01 A 31 ASN HBy H 1 2.920 0.01 A 31 ASN HD2y H 1 8.947 0.01 A 31 ASN HD2x H 1 8.129 0.01 A 31 ASN C C 13 177.113 0.1 A 31 ASN CA C 13 56.214 0.1 A 31 ASN CB C 13 41.236 0.1 A 31 ASN CG C 13 177.928 0.1 A 31 ASN N N 15 127.523 0.1 A 31 ASN ND2 N 15 115.385 0.1 A 32 LEU H H 1 9.564 0.01 A 32 LEU HA H 1 5.010 0.01 A 32 LEU HBx H 1 2.327 0.01 A 32 LEU HBy H 1 2.570 0.01 A 32 LEU HDx% H 1 2.039 0.01 A 32 LEU HDy% H 1 1.637 0.01 A 32 LEU C C 13 175.527 0.1 A 32 LEU CA C 13 54.445 0.1 A 32 LEU CB C 13 44.449 0.1 A 32 LEU CDy C 13 27.009 0.1 A 32 LEU CDx C 13 22.116 0.1 A 32 LEU N N 15 122.133 0.1 A 33 HIS H H 1 8.108 0.01 A 33 HIS HA H 1 4.091 0.01 A 33 HIS HBx H 1 3.166 0.01 A 33 HIS HBy H 1 3.347 0.01 A 33 HIS HE1 H 1 7.950 0.01 A 33 HIS C C 13 177.832 0.1 A 33 HIS CA C 13 61.595 0.1 A 33 HIS CB C 13 29.907 0.1 A 33 HIS CE1 C 13 137.736 0.1 A 33 HIS N N 15 120.239 0.1 A 34 GLY H H 1 8.983 0.01 A 34 GLY HAy H 1 3.996 0.01 A 34 GLY HAx H 1 3.789 0.01 A 34 GLY C C 13 174.270 0.1 A 34 GLY CA C 13 46.048 0.1 A 34 GLY N N 15 115.082 0.1 A 35 LEU H H 1 7.108 0.01 A 35 LEU HA H 1 3.594 0.01 A 35 LEU HBx H 1 1.432 0.01 A 35 LEU HBy H 1 2.179 0.01 A 35 LEU HDx% H 1 0.405 0.01 A 35 LEU HDy% H 1 0.086 0.01 A 35 LEU HG H 1 1.056 0.01 A 35 LEU C C 13 177.157 0.1 A 35 LEU CA C 13 58.097 0.1 A 35 LEU CB C 13 44.362 0.1 A 35 LEU CDx C 13 25.096 0.1 A 35 LEU CDy C 13 26.704 0.1 A 35 LEU CG C 13 25.832 0.1 A 35 LEU N N 15 117.181 0.1 A 36 PHE H H 1 8.684 0.01 A 36 PHE HA H 1 3.667 0.01 A 36 PHE HBx H 1 2.719 0.01 A 36 PHE HBy H 1 3.233 0.01 A 36 PHE HDx H 1 7.244 0.01 A 36 PHE HDy H 1 7.244 0.01 A 36 PHE HEx H 1 6.581 0.01 A 36 PHE HEy H 1 6.581 0.01 A 36 PHE HZ H 1 6.713 0.01 A 36 PHE C C 13 177.528 0.1 A 36 PHE CA C 13 60.341 0.1 A 36 PHE CB C 13 37.049 0.1 A 36 PHE CDy C 13 131.570 0.1 A 36 PHE CEy C 13 129.419 0.1 A 36 PHE CZ C 13 128.598 0.1 A 36 PHE N N 15 112.628 0.1 A 37 GLY H H 1 8.925 0.01 A 37 GLY HAy H 1 4.361 0.01 A 37 GLY HAx H 1 3.442 0.01 A 37 GLY C C 13 173.006 0.1 A 37 GLY CA C 13 45.010 0.1 A 37 GLY N N 15 111.117 0.1 A 38 ARG H H 1 8.122 0.01 A 38 ARG HA H 1 4.586 0.01 A 38 ARG HBx H 1 1.838 0.01 A 38 ARG HBy H 1 2.097 0.01 A 38 ARG HDx H 1 3.173 0.01 A 38 ARG HDy H 1 3.173 0.01 A 38 ARG HE H 1 7.461 0.01 A 38 ARG HGx H 1 1.862 0.01 A 38 ARG HGy H 1 2.095 0.01 A 38 ARG HH1x H 1 6.729 0.01 A 38 ARG C C 13 174.822 0.1 A 38 ARG CA C 13 55.078 0.1 A 38 ARG CB C 13 33.471 0.1 A 38 ARG CD C 13 44.928 0.1 A 38 ARG CG C 13 26.899 0.1 A 38 ARG CZ C 13 184.485 0.1 A 38 ARG N N 15 123.532 0.1 A 38 ARG NE N 15 121.324 0.1 A 39 LYS H H 1 8.105 0.01 A 39 LYS HA H 1 4.825 0.01 A 39 LYS HBx H 1 1.531 0.01 A 39 LYS HBy H 1 1.645 0.01 A 39 LYS HDx H 1 1.527 0.01 A 39 LYS HDy H 1 1.527 0.01 A 39 LYS HEx H 1 2.852 0.01 A 39 LYS HEy H 1 2.852 0.01 A 39 LYS HGx H 1 1.341 0.01 A 39 LYS HGy H 1 1.407 0.01 A 39 LYS C C 13 177.202 0.1 A 39 LYS CA C 13 55.868 0.1 A 39 LYS CB C 13 33.803 0.1 A 39 LYS CD C 13 29.534 0.1 A 39 LYS CE C 13 41.877 0.1 A 39 LYS CG C 13 25.766 0.1 A 39 LYS N N 15 122.237 0.1 A 40 THR H H 1 7.570 0.01 A 40 THR HA H 1 4.143 0.01 A 40 THR HB H 1 4.445 0.01 A 40 THR HG1 H 1 3.995 0.01 A 40 THR HG2% H 1 0.815 0.01 A 40 THR C C 13 176.658 0.1 A 40 THR CA C 13 61.563 0.1 A 40 THR CB C 13 68.791 0.1 A 40 THR CG2 C 13 22.841 0.1 A 40 THR N N 15 109.758 0.1 A 41 GLY H H 1 9.108 0.01 A 41 GLY HAy H 1 3.035 0.01 A 41 GLY HAx H 1 1.200 0.01 A 41 GLY C C 13 174.654 0.1 A 41 GLY CA C 13 45.948 0.1 A 41 GLY N N 15 109.517 0.1 A 42 GLN H H 1 7.761 0.01 A 42 GLN HA H 1 4.428 0.01 A 42 GLN HBx H 1 1.637 0.01 A 42 GLN HBy H 1 2.461 0.01 A 42 GLN HE2y H 1 7.426 0.01 A 42 GLN HE2x H 1 6.909 0.01 A 42 GLN HGx H 1 2.060 0.01 A 42 GLN HGy H 1 2.163 0.01 A 42 GLN C C 13 176.245 0.1 A 42 GLN CA C 13 54.589 0.1 A 42 GLN CB C 13 30.163 0.1 A 42 GLN CD C 13 180.274 0.1 A 42 GLN CG C 13 33.773 0.1 A 42 GLN N N 15 113.170 0.1 A 42 GLN NE2 N 15 113.646 0.1 A 43 ALA H H 1 8.166 0.01 A 43 ALA HA H 1 4.579 0.01 A 43 ALA HB% H 1 1.446 0.01 A 43 ALA CA C 13 51.818 0.1 A 43 ALA CB C 13 18.512 0.1 A 43 ALA N N 15 125.753 0.1 A 44 PRO HA H 1 4.400 0.01 A 44 PRO HBy H 1 2.334 0.01 A 44 PRO HBx H 1 2.012 0.01 A 44 PRO HDx H 1 3.883 0.01 A 44 PRO HDy H 1 4.162 0.01 A 44 PRO HGx H 1 2.099 0.01 A 44 PRO HGy H 1 2.258 0.01 A 44 PRO CA C 13 63.418 0.1 A 44 PRO CB C 13 31.981 0.1 A 44 PRO CD C 13 51.111 0.1 A 44 PRO CG C 13 27.814 0.1 A 45 GLY HAy H 1 4.255 0.01 A 45 GLY HAx H 1 3.665 0.01 A 45 GLY C C 13 172.690 0.1 A 45 GLY CA C 13 45.880 0.1 A 46 TYR H H 1 6.839 0.01 A 46 TYR HA H 1 3.596 0.01 A 46 TYR HBx H 1 0.581 0.01 A 46 TYR HBy H 1 1.615 0.01 A 46 TYR HDx H 1 3.567 0.01 A 46 TYR HDy H 1 5.556 0.01 A 46 TYR HEy H 1 4.841 0.01 A 46 TYR HEx H 1 4.478 0.01 A 46 TYR C C 13 173.340 0.1 A 46 TYR CA C 13 57.090 0.1 A 46 TYR CB C 13 38.875 0.1 A 46 TYR CDy C 13 131.263 0.1 A 46 TYR CDx C 13 130.885 0.1 A 46 TYR CEx C 13 115.172 0.1 A 46 TYR CEy C 13 117.004 0.1 A 46 TYR N N 15 119.385 0.1 A 47 SER H H 1 6.605 0.01 A 47 SER HA H 1 3.998 0.01 A 47 SER HBx H 1 2.948 0.01 A 47 SER HBy H 1 3.119 0.01 A 47 SER C C 13 171.073 0.1 A 47 SER CA C 13 55.868 0.1 A 47 SER CB C 13 61.300 0.1 A 47 SER N N 15 122.637 0.1 A 48 TYR H H 1 7.607 0.01 A 48 TYR HA H 1 4.078 0.01 A 48 TYR HBx H 1 2.337 0.01 A 48 TYR HBy H 1 3.132 0.01 A 48 TYR HDy H 1 7.010 0.01 A 48 TYR HDx H 1 6.683 0.01 A 48 TYR HEy H 1 6.816 0.01 A 48 TYR HEx H 1 5.281 0.01 A 48 TYR HH H 1 8.774 0.01 A 48 TYR C C 13 179.055 0.1 A 48 TYR CA C 13 58.177 0.1 A 48 TYR CB C 13 41.666 0.1 A 48 TYR CDy C 13 136.142 0.1 A 48 TYR CDx C 13 132.650 0.1 A 48 TYR CEy C 13 120.563 0.1 A 48 TYR CEx C 13 117.236 0.1 A 48 TYR N N 15 124.638 0.1 A 49 THR H H 1 9.674 0.01 A 49 THR HA H 1 4.122 0.01 A 49 THR HB H 1 4.678 0.01 A 49 THR HG1 H 1 9.569 0.01 A 49 THR HG2% H 1 1.480 0.01 A 49 THR C C 13 176.094 0.1 A 49 THR CA C 13 62.408 0.1 A 49 THR CB C 13 71.428 0.1 A 49 THR CG2 C 13 22.213 0.1 A 49 THR N N 15 112.964 0.1 A 50 ALA H H 1 8.813 0.01 A 50 ALA HA H 1 3.953 0.01 A 50 ALA HB% H 1 1.395 0.01 A 50 ALA C C 13 179.704 0.1 A 50 ALA CA C 13 55.128 0.1 A 50 ALA CB C 13 17.212 0.1 A 50 ALA N N 15 124.879 0.1 A 51 ALA H H 1 7.968 0.01 A 51 ALA HA H 1 4.147 0.01 A 51 ALA HB% H 1 1.623 0.01 A 51 ALA C C 13 180.038 0.1 A 51 ALA CA C 13 55.178 0.1 A 51 ALA CB C 13 19.014 0.1 A 51 ALA N N 15 117.688 0.1 A 52 ASN H H 1 8.559 0.01 A 52 ASN HA H 1 4.686 0.01 A 52 ASN HBx H 1 3.056 0.01 A 52 ASN HBy H 1 3.199 0.01 A 52 ASN HD2y H 1 7.751 0.01 A 52 ASN HD2x H 1 7.326 0.01 A 52 ASN C C 13 179.237 0.1 A 52 ASN CA C 13 55.169 0.1 A 52 ASN CB C 13 40.234 0.1 A 52 ASN CG C 13 175.388 0.1 A 52 ASN N N 15 117.279 0.1 A 52 ASN ND2 N 15 109.662 0.1 A 53 LYS H H 1 8.581 0.01 A 53 LYS HA H 1 3.723 0.01 A 53 LYS HBx H 1 1.738 0.01 A 53 LYS HBy H 1 1.835 0.01 A 53 LYS HDx H 1 1.594 0.01 A 53 LYS HDy H 1 1.703 0.01 A 53 LYS HEx H 1 2.923 0.01 A 53 LYS HEy H 1 2.923 0.01 A 53 LYS HGx H 1 1.400 0.01 A 53 LYS HGy H 1 1.400 0.01 A 53 LYS C C 13 177.680 0.1 A 53 LYS CA C 13 59.476 0.1 A 53 LYS CB C 13 32.429 0.1 A 53 LYS CD C 13 28.930 0.1 A 53 LYS CE C 13 42.105 0.1 A 53 LYS CG C 13 24.649 0.1 A 53 LYS N N 15 121.287 0.1 A 54 ASN H H 1 8.242 0.01 A 54 ASN HA H 1 4.700 0.01 A 54 ASN HBx H 1 2.760 0.01 A 54 ASN HBy H 1 2.932 0.01 A 54 ASN HD2y H 1 7.490 0.01 A 54 ASN HD2x H 1 6.965 0.01 A 54 ASN C C 13 176.287 0.1 A 54 ASN CA C 13 53.181 0.1 A 54 ASN CB C 13 38.944 0.1 A 54 ASN CG C 13 176.952 0.1 A 54 ASN N N 15 112.951 0.1 A 54 ASN ND2 N 15 112.065 0.1 A 55 LYS H H 1 7.021 0.01 A 55 LYS HA H 1 4.249 0.01 A 55 LYS HBx H 1 2.196 0.01 A 55 LYS HBy H 1 2.196 0.01 A 55 LYS HDx H 1 1.793 0.01 A 55 LYS HDy H 1 2.088 0.01 A 55 LYS HEx H 1 1.841 0.01 A 55 LYS HEy H 1 2.487 0.01 A 55 LYS HGx H 1 1.178 0.01 A 55 LYS HGy H 1 1.328 0.01 A 55 LYS C C 13 177.819 0.1 A 55 LYS CA C 13 58.462 0.1 A 55 LYS CB C 13 30.413 0.1 A 55 LYS CD C 13 28.211 0.1 A 55 LYS CE C 13 41.892 0.1 A 55 LYS CG C 13 25.775 0.1 A 55 LYS N N 15 121.539 0.1 A 56 GLY H H 1 7.806 0.01 A 56 GLY HAy H 1 3.837 0.01 A 56 GLY HAx H 1 3.672 0.01 A 56 GLY C C 13 174.380 0.1 A 56 GLY CA C 13 47.025 0.1 A 56 GLY N N 15 103.192 0.1 A 57 ILE H H 1 6.501 0.01 A 57 ILE HA H 1 4.424 0.01 A 57 ILE HB H 1 1.853 0.01 A 57 ILE HD1% H 1 -0.479 0.01 A 57 ILE HG1y H 1 1.169 0.01 A 57 ILE HG1x H 1 0.613 0.01 A 57 ILE HG2% H 1 0.774 0.01 A 57 ILE C C 13 173.563 0.1 A 57 ILE CA C 13 57.551 0.1 A 57 ILE CB C 13 41.003 0.1 A 57 ILE CD1 C 13 13.850 0.1 A 57 ILE CG1 C 13 26.935 0.1 A 57 ILE CG2 C 13 22.287 0.1 A 57 ILE N N 15 110.573 0.1 A 58 ILE H H 1 8.215 0.01 A 58 ILE HA H 1 3.971 0.01 A 58 ILE HB H 1 1.590 0.01 A 58 ILE HD1% H 1 0.694 0.01 A 58 ILE HG1x H 1 0.959 0.01 A 58 ILE HG1y H 1 1.405 0.01 A 58 ILE HG2% H 1 0.613 0.01 A 58 ILE C C 13 177.732 0.1 A 58 ILE CA C 13 58.840 0.1 A 58 ILE CB C 13 38.266 0.1 A 58 ILE CD1 C 13 11.925 0.1 A 58 ILE CG1 C 13 27.829 0.1 A 58 ILE CG2 C 13 17.228 0.1 A 58 ILE N N 15 119.253 0.1 A 59 TRP H H 1 8.676 0.01 A 59 TRP HA H 1 4.684 0.01 A 59 TRP HBx H 1 2.098 0.01 A 59 TRP HBy H 1 3.613 0.01 A 59 TRP HD1 H 1 6.823 0.01 A 59 TRP HE1 H 1 9.536 0.01 A 59 TRP HE3 H 1 7.282 0.01 A 59 TRP HH2 H 1 6.203 0.01 A 59 TRP HZ2 H 1 7.511 0.01 A 59 TRP HZ3 H 1 6.415 0.01 A 59 TRP C C 13 175.775 0.1 A 59 TRP CA C 13 57.171 0.1 A 59 TRP CB C 13 30.056 0.1 A 59 TRP CD1 C 13 127.400 0.1 A 59 TRP CE3 C 13 121.115 0.1 A 59 TRP CH2 C 13 123.850 0.1 A 59 TRP CZ2 C 13 114.215 0.1 A 59 TRP CZ3 C 13 121.149 0.1 A 59 TRP N N 15 130.580 0.1 A 59 TRP NE1 N 15 125.441 0.1 A 60 GLY H H 1 7.719 0.01 A 60 GLY HAy H 1 4.069 0.01 A 60 GLY HAx H 1 3.782 0.01 A 60 GLY C C 13 171.747 0.1 A 60 GLY CA C 13 44.456 0.1 A 60 GLY N N 15 111.298 0.1 A 61 GLU H H 1 9.571 0.01 A 61 GLU HA H 1 3.672 0.01 A 61 GLU HBx H 1 2.033 0.01 A 61 GLU HBy H 1 2.033 0.01 A 61 GLU HGx H 1 2.199 0.01 A 61 GLU HGy H 1 2.275 0.01 A 61 GLU C C 13 177.181 0.1 A 61 GLU CA C 13 61.927 0.1 A 61 GLU CB C 13 29.545 0.1 A 61 GLU CG C 13 37.335 0.1 A 61 GLU N N 15 120.551 0.1 A 62 ASP H H 1 8.362 0.01 A 62 ASP HA H 1 4.290 0.01 A 62 ASP HBx H 1 2.671 0.01 A 62 ASP HBy H 1 2.717 0.01 A 62 ASP C C 13 179.405 0.1 A 62 ASP CA C 13 57.242 0.1 A 62 ASP CB C 13 39.677 0.1 A 62 ASP N N 15 115.347 0.1 A 63 THR H H 1 8.274 0.01 A 63 THR HA H 1 4.192 0.01 A 63 THR HB H 1 4.425 0.01 A 63 THR HG1 H 1 4.381 0.01 A 63 THR HG2% H 1 1.340 0.01 A 63 THR C C 13 178.078 0.1 A 63 THR CA C 13 63.814 0.1 A 63 THR CB C 13 69.053 0.1 A 63 THR CG2 C 13 23.958 0.1 A 63 THR N N 15 113.104 0.1 A 64 LEU H H 1 8.547 0.01 A 64 LEU HA H 1 3.815 0.01 A 64 LEU HBx H 1 0.371 0.01 A 64 LEU HBy H 1 1.577 0.01 A 64 LEU HDx% H 1 -0.265 0.01 A 64 LEU HDy% H 1 -0.685 0.01 A 64 LEU HG H 1 1.308 0.01 A 64 LEU C C 13 178.386 0.1 A 64 LEU CA C 13 58.319 0.1 A 64 LEU CB C 13 42.138 0.1 A 64 LEU CDy C 13 26.707 0.1 A 64 LEU CDx C 13 23.024 0.1 A 64 LEU CG C 13 27.343 0.1 A 64 LEU N N 15 120.546 0.1 A 65 MET H H 1 7.721 0.01 A 65 MET HA H 1 3.668 0.01 A 65 MET HBx H 1 2.025 0.01 A 65 MET HBy H 1 2.201 0.01 A 65 MET HE% H 1 1.879 0.01 A 65 MET HGx H 1 2.398 0.01 A 65 MET HGy H 1 2.638 0.01 A 65 MET C C 13 177.655 0.1 A 65 MET CA C 13 58.074 0.1 A 65 MET CB C 13 31.057 0.1 A 65 MET CE C 13 16.110 0.1 A 65 MET CG C 13 31.928 0.1 A 65 MET N N 15 118.970 0.1 A 66 GLU H H 1 6.831 0.01 A 66 GLU HA H 1 4.074 0.01 A 66 GLU HBx H 1 1.752 0.01 A 66 GLU HBy H 1 1.959 0.01 A 66 GLU HGx H 1 2.117 0.01 A 66 GLU HGy H 1 2.387 0.01 A 66 GLU C C 13 179.213 0.1 A 66 GLU CA C 13 58.516 0.1 A 66 GLU CB C 13 30.005 0.1 A 66 GLU CG C 13 36.114 0.1 A 66 GLU N N 15 117.819 0.1 A 67 TYR H H 1 8.147 0.01 A 67 TYR HA H 1 3.907 0.01 A 67 TYR HBx H 1 2.606 0.01 A 67 TYR HBy H 1 3.199 0.01 A 67 TYR C C 13 177.050 0.1 A 67 TYR CA C 13 60.652 0.1 A 67 TYR CB C 13 40.556 0.1 A 67 TYR N N 15 121.354 0.1 A 68 LEU H H 1 8.059 0.01 A 68 LEU HA H 1 2.600 0.01 A 68 LEU HBx H 1 -0.050 0.01 A 68 LEU HBy H 1 0.980 0.01 A 68 LEU HDx% H 1 -0.625 0.01 A 68 LEU HDy% H 1 -2.739 0.01 A 68 LEU HG H 1 0.635 0.01 A 68 LEU C C 13 176.652 0.1 A 68 LEU CA C 13 55.603 0.1 A 68 LEU CB C 13 41.252 0.1 A 68 LEU CDy C 13 24.775 0.1 A 68 LEU CDx C 13 19.580 0.1 A 68 LEU CG C 13 25.606 0.1 A 68 LEU N N 15 110.943 0.1 A 69 GLU H H 1 6.804 0.01 A 69 GLU HA H 1 3.819 0.01 A 69 GLU HBx H 1 1.671 0.01 A 69 GLU HBy H 1 2.078 0.01 A 69 GLU HGx H 1 2.183 0.01 A 69 GLU HGy H 1 2.183 0.01 A 69 GLU C C 13 176.484 0.1 A 69 GLU CA C 13 58.830 0.1 A 69 GLU CB C 13 30.113 0.1 A 69 GLU CG C 13 36.635 0.1 A 69 GLU N N 15 118.955 0.1 A 70 ASN H H 1 6.696 0.01 A 70 ASN HA H 1 4.913 0.01 A 70 ASN HBx H 1 3.160 0.01 A 70 ASN HBy H 1 3.216 0.01 A 70 ASN HD2y H 1 8.084 0.01 A 70 ASN HD2x H 1 7.101 0.01 A 70 ASN CA C 13 52.302 0.1 A 70 ASN CB C 13 37.690 0.1 A 70 ASN CG C 13 178.082 0.1 A 70 ASN N N 15 105.374 0.1 A 70 ASN ND2 N 15 112.138 0.1 A 71 PRO HA H 1 5.379 0.01 A 71 PRO HBy H 1 5.261 0.01 A 71 PRO HBx H 1 5.096 0.01 A 71 PRO HDx H 1 3.676 0.01 A 71 PRO HDy H 1 4.378 0.01 A 71 PRO HGx H 1 2.093 0.01 A 71 PRO HGy H 1 3.309 0.01 A 71 PRO C C 13 178.680 0.1 A 71 PRO CA C 13 67.856 0.1 A 71 PRO CB C 13 33.838 0.1 A 71 PRO CD C 13 50.050 0.1 A 71 PRO CG C 13 27.339 0.1 A 72 LYS H H 1 9.387 0.01 A 72 LYS HA H 1 5.264 0.01 A 72 LYS HBx H 1 2.636 0.01 A 72 LYS HBy H 1 2.805 0.01 A 72 LYS HDx H 1 2.347 0.01 A 72 LYS HDy H 1 2.347 0.01 A 72 LYS HEx H 1 3.574 0.01 A 72 LYS HEy H 1 3.574 0.01 A 72 LYS HGx H 1 2.351 0.01 A 72 LYS HGy H 1 2.351 0.01 A 72 LYS C C 13 178.426 0.1 A 72 LYS CA C 13 59.314 0.1 A 72 LYS CB C 13 32.858 0.1 A 72 LYS CD C 13 30.416 0.1 A 72 LYS CE C 13 42.481 0.1 A 72 LYS CG C 13 25.902 0.1 A 72 LYS N N 15 115.645 0.1 A 73 LYS H H 1 7.821 0.01 A 73 LYS HA H 1 4.475 0.01 A 73 LYS HBx H 1 2.108 0.01 A 73 LYS HBy H 1 2.108 0.01 A 73 LYS HDx H 1 1.876 0.01 A 73 LYS HDy H 1 1.906 0.01 A 73 LYS HEx H 1 3.175 0.01 A 73 LYS HEy H 1 3.175 0.01 A 73 LYS HGx H 1 1.662 0.01 A 73 LYS HGy H 1 1.708 0.01 A 73 LYS C C 13 177.651 0.1 A 73 LYS CA C 13 58.209 0.1 A 73 LYS CB C 13 33.785 0.1 A 73 LYS CD C 13 29.905 0.1 A 73 LYS CE C 13 42.289 0.1 A 73 LYS CG C 13 25.414 0.1 A 73 LYS N N 15 119.568 0.1 A 74 TYR H H 1 8.133 0.01 A 74 TYR HA H 1 4.765 0.01 A 74 TYR HBx H 1 3.868 0.01 A 74 TYR HBy H 1 4.118 0.01 A 74 TYR HDx H 1 7.716 0.01 A 74 TYR HDy H 1 7.716 0.01 A 74 TYR HEx H 1 6.748 0.01 A 74 TYR HEy H 1 6.748 0.01 A 74 TYR C C 13 176.456 0.1 A 74 TYR CA C 13 61.833 0.1 A 74 TYR CB C 13 40.778 0.1 A 74 TYR CDx C 13 133.172 0.1 A 74 TYR CEx C 13 118.315 0.1 A 74 TYR N N 15 120.390 0.1 A 75 ILE H H 1 9.430 0.01 A 75 ILE HA H 1 4.785 0.01 A 75 ILE HB H 1 3.478 0.01 A 75 ILE HD1% H 1 2.048 0.01 A 75 ILE HG1x H 1 1.523 0.01 A 75 ILE HG1y H 1 3.061 0.01 A 75 ILE HG2% H 1 1.312 0.01 A 75 ILE CA C 13 59.688 0.1 A 75 ILE CB C 13 38.322 0.1 A 75 ILE CD1 C 13 13.447 0.1 A 75 ILE CG1 C 13 28.650 0.1 A 75 ILE CG2 C 13 19.301 0.1 A 75 ILE N N 15 114.875 0.1 A 76 PRO HA H 1 5.206 0.01 A 76 PRO HBy H 1 2.613 0.01 A 76 PRO HBx H 1 2.117 0.01 A 76 PRO HDx H 1 3.733 0.01 A 76 PRO HDy H 1 3.808 0.01 A 76 PRO HGx H 1 2.300 0.01 A 76 PRO HGy H 1 2.300 0.01 A 76 PRO C C 13 179.262 0.1 A 76 PRO CA C 13 64.683 0.1 A 76 PRO CB C 13 31.623 0.1 A 76 PRO CD C 13 50.086 0.1 A 76 PRO CG C 13 28.046 0.1 A 77 GLY H H 1 9.369 0.01 A 77 GLY HAy H 1 4.609 0.01 A 77 GLY HAx H 1 4.027 0.01 A 77 GLY C C 13 176.295 0.1 A 77 GLY CA C 13 44.898 0.1 A 77 GLY N N 15 111.567 0.1 A 78 THR H H 1 9.065 0.01 A 78 THR HA H 1 5.235 0.01 A 78 THR HB H 1 5.910 0.01 A 78 THR HG2% H 1 3.538 0.01 A 78 THR C C 13 173.227 0.1 A 78 THR CA C 13 61.857 0.1 A 78 THR CB C 13 70.744 0.1 A 78 THR CG2 C 13 21.457 0.1 A 78 THR N N 15 115.359 0.1 A 79 LYS H H 1 8.305 0.01 A 79 LYS HA H 1 4.966 0.01 A 79 LYS HBx H 1 1.421 0.01 A 79 LYS HBy H 1 1.810 0.01 A 79 LYS HDx H 1 0.983 0.01 A 79 LYS HDy H 1 1.019 0.01 A 79 LYS HEx H 1 2.030 0.01 A 79 LYS HEy H 1 2.258 0.01 A 79 LYS HGx H 1 0.178 0.01 A 79 LYS HGy H 1 0.670 0.01 A 79 LYS C C 13 174.965 0.1 A 79 LYS CA C 13 55.350 0.1 A 79 LYS CB C 13 31.951 0.1 A 79 LYS CD C 13 28.679 0.1 A 79 LYS CE C 13 41.480 0.1 A 79 LYS CG C 13 23.537 0.1 A 79 LYS N N 15 123.025 0.1 A 80 MET H H 1 9.248 0.01 A 80 MET HA H 1 2.696 0.01 A 80 MET C C 13 175.218 0.1 A 80 MET CA C 13 64.934 0.1 A 80 MET N N 15 123.264 0.1 A 81 ILE H H 1 8.513 0.01 A 81 ILE HA H 1 5.124 0.01 A 81 ILE HB H 1 2.080 0.01 A 81 ILE HD1% H 1 0.919 0.01 A 81 ILE HG1x H 1 1.372 0.01 A 81 ILE HG1y H 1 1.578 0.01 A 81 ILE HG2% H 1 1.092 0.01 A 81 ILE C C 13 175.533 0.1 A 81 ILE CA C 13 61.008 0.1 A 81 ILE CB C 13 35.845 0.1 A 81 ILE CD1 C 13 11.305 0.1 A 81 ILE CG1 C 13 26.646 0.1 A 81 ILE CG2 C 13 17.513 0.1 A 81 ILE N N 15 135.557 0.1 A 82 PHE H H 1 9.082 0.01 A 82 PHE HA H 1 4.753 0.01 A 82 PHE HBx H 1 3.066 0.01 A 82 PHE HBy H 1 3.745 0.01 A 82 PHE HDx H 1 6.100 0.01 A 82 PHE HDy H 1 6.100 0.01 A 82 PHE HEx H 1 6.030 0.01 A 82 PHE HEy H 1 6.030 0.01 A 82 PHE HZ H 1 5.859 0.01 A 82 PHE C C 13 175.344 0.1 A 82 PHE CA C 13 59.148 0.1 A 82 PHE CB C 13 41.590 0.1 A 82 PHE CDy C 13 130.108 0.1 A 82 PHE CEy C 13 129.785 0.1 A 82 PHE CZ C 13 128.532 0.1 A 82 PHE N N 15 126.269 0.1 A 83 VAL H H 1 8.165 0.01 A 83 VAL HA H 1 4.007 0.01 A 83 VAL HB H 1 1.912 0.01 A 83 VAL HGx% H 1 0.868 0.01 A 83 VAL HGy% H 1 0.825 0.01 A 83 VAL CA C 13 65.328 0.1 A 83 VAL CB C 13 31.917 0.1 A 83 VAL CGy C 13 20.526 0.1 A 83 VAL CGx C 13 20.469 0.1 A 83 VAL N N 15 126.803 0.1 A 84 GLY H H 1 4.639 0.01 A 84 GLY HAy H 1 4.432 0.01 A 84 GLY HAx H 1 2.876 0.01 A 84 GLY C C 13 171.817 0.1 A 84 GLY CA C 13 43.350 0.1 A 85 ILE H H 1 7.937 0.01 A 85 ILE HA H 1 3.834 0.01 A 85 ILE HB H 1 0.790 0.01 A 85 ILE HD1% H 1 -0.223 0.01 A 85 ILE HG1x H 1 0.400 0.01 A 85 ILE HG1y H 1 0.675 0.01 A 85 ILE HG2% H 1 0.534 0.01 A 85 ILE C C 13 174.884 0.1 A 85 ILE CA C 13 59.452 0.1 A 85 ILE CB C 13 39.327 0.1 A 85 ILE CD1 C 13 13.461 0.1 A 85 ILE CG1 C 13 26.314 0.1 A 85 ILE CG2 C 13 18.339 0.1 A 85 ILE N N 15 120.349 0.1 A 86 LYS H H 1 8.406 0.01 A 86 LYS HA H 1 3.950 0.01 A 86 LYS HBx H 1 1.701 0.01 A 86 LYS HBy H 1 1.701 0.01 A 86 LYS HDx H 1 1.589 0.01 A 86 LYS HDy H 1 1.589 0.01 A 86 LYS HEx H 1 2.856 0.01 A 86 LYS HEy H 1 2.856 0.01 A 86 LYS HGx H 1 1.303 0.01 A 86 LYS HGy H 1 1.405 0.01 A 86 LYS C C 13 178.628 0.1 A 86 LYS CA C 13 58.736 0.1 A 86 LYS CB C 13 32.704 0.1 A 86 LYS CD C 13 28.679 0.1 A 86 LYS CE C 13 42.123 0.1 A 86 LYS CG C 13 24.676 0.1 A 86 LYS N N 15 127.461 0.1 A 87 LYS H H 1 8.271 0.01 A 87 LYS HA H 1 4.195 0.01 A 87 LYS HBx H 1 1.571 0.01 A 87 LYS HBy H 1 1.719 0.01 A 87 LYS HDx H 1 1.626 0.01 A 87 LYS HDy H 1 1.626 0.01 A 87 LYS HEx H 1 2.912 0.01 A 87 LYS HEy H 1 2.912 0.01 A 87 LYS HGx H 1 1.355 0.01 A 87 LYS HGy H 1 1.485 0.01 A 87 LYS C C 13 177.762 0.1 A 87 LYS CA C 13 57.039 0.1 A 87 LYS CB C 13 32.782 0.1 A 87 LYS CD C 13 29.282 0.1 A 87 LYS CE C 13 41.995 0.1 A 87 LYS CG C 13 25.571 0.1 A 87 LYS N N 15 120.320 0.1 A 88 LYS H H 1 9.125 0.01 A 88 LYS HA H 1 3.469 0.01 A 88 LYS HBx H 1 1.663 0.01 A 88 LYS HBy H 1 1.740 0.01 A 88 LYS HDx H 1 1.572 0.01 A 88 LYS HDy H 1 1.572 0.01 A 88 LYS HEx H 1 2.873 0.01 A 88 LYS HEy H 1 2.873 0.01 A 88 LYS HGx H 1 1.261 0.01 A 88 LYS HGy H 1 1.328 0.01 A 88 LYS C C 13 177.864 0.1 A 88 LYS CA C 13 60.484 0.1 A 88 LYS CB C 13 32.308 0.1 A 88 LYS CD C 13 29.510 0.1 A 88 LYS CE C 13 41.988 0.1 A 88 LYS CG C 13 25.007 0.1 A 88 LYS N N 15 129.693 0.1 A 89 GLU H H 1 9.388 0.01 A 89 GLU HA H 1 3.810 0.01 A 89 GLU HBx H 1 1.856 0.01 A 89 GLU HBy H 1 1.856 0.01 A 89 GLU HGx H 1 2.196 0.01 A 89 GLU HGy H 1 2.284 0.01 A 89 GLU C C 13 177.837 0.1 A 89 GLU CA C 13 59.991 0.1 A 89 GLU CB C 13 28.929 0.1 A 89 GLU CG C 13 36.648 0.1 A 89 GLU N N 15 118.035 0.1 A 90 GLU H H 1 6.168 0.01 A 90 GLU HA H 1 3.965 0.01 A 90 GLU HBx H 1 1.599 0.01 A 90 GLU HBy H 1 1.766 0.01 A 90 GLU HGx H 1 2.061 0.01 A 90 GLU HGy H 1 2.061 0.01 A 90 GLU C C 13 178.640 0.1 A 90 GLU CA C 13 58.334 0.1 A 90 GLU CB C 13 30.053 0.1 A 90 GLU CG C 13 36.976 0.1 A 90 GLU N N 15 116.393 0.1 A 91 ARG H H 1 7.159 0.01 A 91 ARG HA H 1 3.144 0.01 A 91 ARG HBx H 1 1.382 0.01 A 91 ARG HBy H 1 1.881 0.01 A 91 ARG HDx H 1 2.890 0.01 A 91 ARG HDy H 1 3.003 0.01 A 91 ARG HE H 1 5.848 0.01 A 91 ARG HGx H 1 0.650 0.01 A 91 ARG HGy H 1 1.350 0.01 A 91 ARG C C 13 177.228 0.1 A 91 ARG CA C 13 61.104 0.1 A 91 ARG CB C 13 31.415 0.1 A 91 ARG CD C 13 43.900 0.1 A 91 ARG CG C 13 30.174 0.1 A 91 ARG CZ C 13 184.310 0.1 A 91 ARG N N 15 117.034 0.1 A 91 ARG NE N 15 119.790 0.1 A 92 ALA H H 1 8.407 0.01 A 92 ALA HA H 1 3.705 0.01 A 92 ALA HB% H 1 1.302 0.01 A 92 ALA C C 13 180.959 0.1 A 92 ALA CA C 13 55.352 0.1 A 92 ALA CB C 13 17.867 0.1 A 92 ALA N N 15 119.908 0.1 A 93 ASP H H 1 7.997 0.01 A 93 ASP HA H 1 4.056 0.01 A 93 ASP HBx H 1 2.410 0.01 A 93 ASP HBy H 1 2.410 0.01 A 93 ASP C C 13 177.532 0.1 A 93 ASP CA C 13 58.156 0.1 A 93 ASP CB C 13 39.624 0.1 A 93 ASP N N 15 121.926 0.1 A 94 LEU H H 1 7.804 0.01 A 94 LEU HA H 1 3.789 0.01 A 94 LEU HBx H 1 1.044 0.01 A 94 LEU HBy H 1 1.490 0.01 A 94 LEU HDx% H 1 0.583 0.01 A 94 LEU HDy% H 1 -0.295 0.01 A 94 LEU HG H 1 0.671 0.01 A 94 LEU C C 13 178.095 0.1 A 94 LEU CA C 13 58.015 0.1 A 94 LEU CB C 13 40.890 0.1 A 94 LEU CDx C 13 23.576 0.1 A 94 LEU CDy C 13 27.483 0.1 A 94 LEU CG C 13 26.851 0.1 A 94 LEU N N 15 120.779 0.1 A 95 ILE H H 1 8.500 0.01 A 95 ILE HA H 1 3.029 0.01 A 95 ILE HB H 1 1.607 0.01 A 95 ILE HD1% H 1 0.442 0.01 A 95 ILE HG1x H 1 0.217 0.01 A 95 ILE HG1y H 1 1.256 0.01 A 95 ILE HG2% H 1 0.825 0.01 A 95 ILE C C 13 176.098 0.1 A 95 ILE CA C 13 66.353 0.1 A 95 ILE CB C 13 37.661 0.1 A 95 ILE CD1 C 13 14.164 0.1 A 95 ILE CG1 C 13 31.413 0.1 A 95 ILE CG2 C 13 17.739 0.1 A 95 ILE N N 15 119.667 0.1 A 96 ALA H H 1 7.749 0.01 A 96 ALA HA H 1 3.906 0.01 A 96 ALA HB% H 1 1.217 0.01 A 96 ALA C C 13 180.717 0.1 A 96 ALA CA C 13 55.031 0.1 A 96 ALA CB C 13 17.268 0.1 A 96 ALA N N 15 122.589 0.1 A 97 TYR H H 1 7.900 0.01 A 97 TYR HA H 1 4.131 0.01 A 97 TYR HBx H 1 2.808 0.01 A 97 TYR HBy H 1 3.508 0.01 A 97 TYR HDy H 1 7.124 0.01 A 97 TYR HDx H 1 6.385 0.01 A 97 TYR HEy H 1 6.808 0.01 A 97 TYR HEx H 1 5.742 0.01 A 97 TYR C C 13 176.286 0.1 A 97 TYR CA C 13 61.684 0.1 A 97 TYR CB C 13 37.271 0.1 A 97 TYR CDy C 13 133.084 0.1 A 97 TYR CDx C 13 132.510 0.1 A 97 TYR CEy C 13 118.681 0.1 A 97 TYR CEx C 13 116.979 0.1 A 97 TYR N N 15 117.860 0.1 A 98 LEU H H 1 8.735 0.01 A 98 LEU HA H 1 3.331 0.01 A 98 LEU HBx H 1 1.012 0.01 A 98 LEU HBy H 1 1.794 0.01 A 98 LEU HDx% H 1 -0.170 0.01 A 98 LEU HDy% H 1 0.446 0.01 A 98 LEU HG H 1 1.612 0.01 A 98 LEU C C 13 179.036 0.1 A 98 LEU CA C 13 57.680 0.1 A 98 LEU CB C 13 41.611 0.1 A 98 LEU CDy C 13 24.853 0.1 A 98 LEU CDx C 13 22.809 0.1 A 98 LEU CG C 13 25.996 0.1 A 98 LEU N N 15 118.829 0.1 A 99 LYS H H 1 8.822 0.01 A 99 LYS HA H 1 2.354 0.01 A 99 LYS HBx H 1 1.106 0.01 A 99 LYS HBy H 1 1.430 0.01 A 99 LYS HDx H 1 1.157 0.01 A 99 LYS HDy H 1 1.227 0.01 A 99 LYS HEx H 1 2.650 0.01 A 99 LYS HEy H 1 2.650 0.01 A 99 LYS HGx H 1 0.191 0.01 A 99 LYS HGy H 1 0.731 0.01 A 99 LYS C C 13 176.769 0.1 A 99 LYS CA C 13 59.291 0.1 A 99 LYS CB C 13 32.116 0.1 A 99 LYS CD C 13 29.508 0.1 A 99 LYS CE C 13 41.913 0.1 A 99 LYS CG C 13 24.690 0.1 A 99 LYS N N 15 123.817 0.1 A 100 LYS H H 1 6.721 0.01 A 100 LYS HA H 1 4.033 0.01 A 100 LYS HBx H 1 1.694 0.01 A 100 LYS HBy H 1 1.742 0.01 A 100 LYS HDx H 1 1.584 0.01 A 100 LYS HDy H 1 1.686 0.01 A 100 LYS HEx H 1 3.005 0.01 A 100 LYS HEy H 1 3.005 0.01 A 100 LYS HGx H 1 1.228 0.01 A 100 LYS HGy H 1 1.363 0.01 A 100 LYS C C 13 178.689 0.1 A 100 LYS CA C 13 58.069 0.1 A 100 LYS CB C 13 33.500 0.1 A 100 LYS CD C 13 29.732 0.1 A 100 LYS CE C 13 42.095 0.1 A 100 LYS CG C 13 24.585 0.1 A 100 LYS N N 15 116.901 0.1 A 101 ALA H H 1 8.626 0.01 A 101 ALA HA H 1 4.023 0.01 A 101 ALA HB% H 1 0.746 0.01 A 101 ALA C C 13 179.927 0.1 A 101 ALA CA C 13 54.886 0.1 A 101 ALA CB C 13 18.955 0.1 A 101 ALA N N 15 119.575 0.1 A 102 THR H H 1 7.893 0.01 A 102 THR HA H 1 4.605 0.01 A 102 THR HB H 1 4.894 0.01 A 102 THR HG1 H 1 4.836 0.01 A 102 THR HG2% H 1 1.251 0.01 A 102 THR C C 13 173.202 0.1 A 102 THR CA C 13 62.336 0.1 A 102 THR CB C 13 69.803 0.1 A 102 THR CG2 C 13 22.511 0.1 A 102 THR N N 15 102.072 0.1 A 103 ASN H H 1 7.127 0.01 A 103 ASN HA H 1 4.946 0.01 A 103 ASN HBx H 1 2.520 0.01 A 103 ASN HBy H 1 2.825 0.01 A 103 ASN HD2y H 1 7.893 0.01 A 103 ASN HD2x H 1 6.407 0.01 A 103 ASN C C 13 174.022 0.1 A 103 ASN CA C 13 52.756 0.1 A 103 ASN CB C 13 41.725 0.1 A 103 ASN CG C 13 177.745 0.1 A 103 ASN N N 15 118.409 0.1 A 103 ASN ND2 N 15 114.173 0.1 A 104 GLU H H 1 7.419 0.01 A 104 GLU HA H 1 4.303 0.01 A 104 GLU HBx H 1 2.056 0.01 A 104 GLU HBy H 1 2.084 0.01 A 104 GLU HGx H 1 2.373 0.01 A 104 GLU HGy H 1 2.373 0.01 A 104 GLU CA C 13 58.144 0.1 A 104 GLU CB C 13 31.361 0.1 A 104 GLU CG C 13 36.460 0.1 A 104 GLU N N 15 125.048 0.1 B 1 HEC HAAy H 1 19.883 0.01 B 1 HEC HAAx H 1 10.444 0.01 B 1 HEC HAB H 1 -1.078 0.01 B 1 HEC HADy H 1 -1.599 0.01 B 1 HEC HBAy H 1 1.658 0.01 B 1 HEC HBB% H 1 -2.337 0.01 B 1 HEC HBC% H 1 2.934 0.01 B 1 HEC HBDy H 1 1.163 0.01 B 1 HEC HMA% H 1 35.212 0.01 B 1 HEC HMB% H 1 7.225 0.01 B 1 HEC HMC% H 1 32.048 0.01 B 1 HEC HMD% H 1 10.202 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 102 THR H A 102 THR HG1 1.0 . 3.75 2 2 A 102 THR H A 102 THR HB 1.0 . 3.77 3 3 A 102 THR H A 103 ASN H 1.0 . 3.56 4 4 A 40 THR HG2% A 56 GLY H 1.0 . 4.93 5 5 A 56 GLY H A 55 LYS HBx 1.0 . 4.26 6 5 A 56 GLY H A 55 LYS HBy 1.0 . 4.26 7 6 A 56 GLY H A 40 THR HG1 1.0 . 4.04 8 7 A 70 ASN H A 69 GLU HBy 1.0 . 4.29 9 8 A 70 ASN H A 69 GLU HGx 1.0 . 3.95 10 8 A 70 ASN H A 69 GLU HGy 1.0 . 3.95 11 9 A 70 ASN H A 68 LEU HA 1.0 . 4.38 12 10 A 70 ASN H A 70 ASN HBx 1.0 . 4.11 13 11 A 70 ASN H A 70 ASN HBy 1.0 . 4.11 14 12 A 70 ASN H A 71 PRO HDy 1.0 . 3.57 15 13 A 70 ASN H A 71 PRO HDx 1.0 . 4.28 16 14 A 70 ASN H A 69 GLU H 1.0 . 2.94 17 15 A 70 ASN H A 68 LEU H 1.0 . 4.96 18 16 A 6 GLY H A 5 LYS HBx 1.0 . 3.62 19 16 A 5 LYS HBy A 6 GLY H 1.0 . 3.62 20 17 A 6 GLY H A 93 ASP HBx 1.0 . 4.11 21 17 A 6 GLY H A 93 ASP HBy 1.0 . 4.11 22 18 A 6 GLY H A 3 VAL HA 1.0 . 4.43 23 19 A 6 GLY H A 7 LYS H 1.0 . 3.41 24 20 A 6 GLY H A 5 LYS H 1.0 . 3.41 25 21 A 24 GLY H A 21 GLU HBx 1.0 . 4.60 26 21 A 21 GLU HBy A 24 GLY H 1.0 . 4.60 27 22 A 24 GLY H A 21 GLU HGx 1.0 . 4.51 28 22 A 24 GLY H A 21 GLU HGy 1.0 . 4.51 29 23 A 24 GLY H A 31 ASN HD2y 1.0 . 5.06 30 24 A 24 GLY H A 31 ASN HD2x 1.0 . 5.06 31 25 A 24 GLY H A 23 GLY H 1.0 . 4.36 32 26 A 41 GLY H A 55 LYS HBx 1.0 . 5.50 33 26 A 55 LYS HBy A 41 GLY H 1.0 . 5.50 34 27 A 41 GLY H A 40 THR HB 1.0 . 3.94 35 28 A 41 GLY H A 42 GLN H 1.0 . 3.89 36 29 A 41 GLY H A 59 TRP HE1 1.0 . 4.42 37 30 A 40 THR H A 39 LYS HGx 1.0 . 4.31 38 31 A 40 THR H A 39 LYS HGy 1.0 . 4.31 39 32 A 40 THR H A 39 LYS HBx 1.0 . 4.16 40 33 A 40 THR H A 39 LYS HDx 1.0 . 4.58 41 33 A 40 THR H A 39 LYS HDy 1.0 . 4.58 42 34 A 40 THR H A 39 LYS HBy 1.0 . 4.16 43 35 A 40 THR HG1 A 40 THR H 1.0 . 3.62 44 36 A 40 THR H A 39 LYS HA 1.0 . 3.02 45 37 A 40 THR H A 57 ILE H 1.0 . 4.39 46 38 A 57 ILE H A 57 ILE HG2% 1.0 . 3.42 47 39 A 57 ILE H A 57 ILE HB 1.0 . 4.15 48 40 A 57 ILE H A 55 LYS HBx 1.0 . 4.55 49 40 A 55 LYS HBy A 57 ILE H 1.0 . 4.55 50 41 A 40 THR HG1 A 57 ILE H 1.0 . 4.18 51 42 A 56 GLY H A 57 ILE H 1.0 . 4.15 52 43 A 68 LEU H A 68 LEU HBy 1.0 . 4.00 53 44 A 68 LEU H A 68 LEU HDx% 1.0 . 4.43 54 45 A 68 LEU H A 68 LEU HG 1.0 . 3.96 55 46 A 68 LEU H A 68 LEU HBx 1.0 . 3.46 56 47 A 68 LEU H A 65 MET HA 1.0 . 4.73 57 48 A 69 GLU H A 68 LEU H 1.0 . 3.68 58 49 A 68 LEU H A 67 TYR H 1.0 . 3.36 59 50 A 60 GLY H A 64 LEU HG 1.0 . 4.00 60 51 A 60 GLY H A 63 THR HG1 1.0 . 3.36 61 52 A 60 GLY H A 59 TRP HA 1.0 . 3.15 62 53 A 60 GLY H A 59 TRP HE3 1.0 . 4.18 63 54 A 60 GLY H A 64 LEU H 1.0 . 4.06 64 55 A 19 THR HB A 20 VAL H 1.0 . 3.89 65 56 A 20 VAL H A 19 THR HA 1.0 . 3.61 66 57 A 20 VAL H A 21 GLU H 1.0 . 3.63 67 58 A 13 LYS H A 13 LYS HBy 1.0 . 4.07 68 59 A 13 LYS H A 13 LYS HGx 1.0 . 3.37 69 59 A 13 LYS H A 13 LYS HGy 1.0 . 3.37 70 60 A 13 LYS H A 13 LYS HBx 1.0 . 3.32 71 61 A 13 LYS H A 12 MET HBx 1.0 . 4.01 72 62 A 13 LYS H A 12 MET HBy 1.0 . 4.01 73 63 A 13 LYS H A 9 ILE HA 1.0 . 4.78 74 64 A 13 LYS H A 10 PHE HA 1.0 . 5.01 75 65 A 13 LYS H A 14 CYS H 1.0 . 3.06 76 66 A 13 LYS H A 12 MET H 1.0 . 3.24 77 67 A 35 LEU HDy% A 36 PHE H 1.0 . 4.80 78 68 A 36 PHE H A 35 LEU HG 1.0 . 4.70 79 69 A 36 PHE H A 35 LEU HBy 1.0 . 3.78 80 70 A 36 PHE H A 35 LEU HBx 1.0 . 4.28 81 71 A 36 PHE H A 36 PHE HBy 1.0 . 3.81 82 72 A 102 THR HG1 A 36 PHE H 1.0 . 4.54 83 73 A 36 PHE H A 35 LEU H 1.0 . 3.60 84 74 A 50 ALA HB% A 54 ASN H 1.0 . 5.10 85 75 A 54 ASN H A 53 LYS HGx 1.0 . 5.38 86 75 A 54 ASN H A 53 LYS HGy 1.0 . 5.38 87 76 A 54 ASN H A 53 LYS HBx 1.0 . 4.22 88 77 A 54 ASN H A 55 LYS HBx 1.0 . 5.27 89 77 A 55 LYS HBy A 54 ASN H 1.0 . 5.27 90 78 A 54 ASN H A 54 ASN HBx 1.0 . 3.84 91 79 A 54 ASN H A 54 ASN HBy 1.0 . 3.84 92 80 A 54 ASN H A 53 LYS H 1.0 . 3.42 93 81 A 48 TYR HBx A 49 THR H 1.0 . 4.13 94 82 A 49 THR H A 48 TYR HBy 1.0 . 3.61 95 83 A 63 THR H A 62 ASP HBx 1.0 . 3.97 96 84 A 63 THR H A 62 ASP HBy 1.0 . 3.97 97 85 A 63 THR HG1 A 63 THR H 1.0 . 3.68 98 86 A 60 GLY H A 63 THR H 1.0 . 4.25 99 87 A 63 THR H A 65 MET H 1.0 . 4.74 100 88 A 63 THR H A 62 ASP H 1.0 . 2.84 101 89 A 64 LEU H A 63 THR H 1.0 . 3.46 102 90 A 17 CYS H A 18 HIS H 1.0 . 3.31 103 91 A 17 CYS H A 16 GLN HBx 1.0 . 4.90 104 92 A 17 CYS H A 16 GLN HBy 1.0 . 4.90 105 93 A 42 GLN HE2x A 53 LYS HGx 1.0 . 5.50 106 93 A 53 LYS HGy A 42 GLN HE2x 1.0 . 5.50 107 94 A 18 HIS HA A 19 THR H 1.0 . 3.44 108 95 A 13 LYS HBy A 14 CYS H 1.0 . 4.82 109 96 A 14 CYS H A 13 LYS HGx 1.0 . 4.52 110 96 A 13 LYS HGy A 14 CYS H 1.0 . 4.52 111 97 A 13 LYS HBx A 14 CYS H 1.0 . 4.30 112 98 A 14 CYS H A 14 CYS HBy 1.0 . 4.02 113 99 A 14 CYS H A 15 SER H 1.0 . 3.58 114 100 A 75 ILE H A 75 ILE HG1x 1.0 . 4.44 115 101 A 75 ILE H A 75 ILE HG1y 1.0 . 4.44 116 102 A 75 ILE H A 75 ILE HB 1.0 . 3.74 117 103 A 75 ILE H A 76 PRO HDx 1.0 . 4.62 118 104 A 75 ILE H A 76 PRO HDy 1.0 . 4.62 119 105 A 75 ILE H A 74 TYR HBx 1.0 . 4.01 120 106 A 75 ILE H A 74 TYR HBy 1.0 . 4.01 121 107 A 75 ILE H A 72 LYS HA 1.0 . 4.44 122 108 A 75 ILE H A 73 LYS H 1.0 . 4.56 123 109 A 102 THR HB A 34 GLY H 1.0 . 4.27 124 110 A 34 GLY H A 33 HIS H 1.0 . 4.90 125 111 A 62 ASP H A 61 GLU HBx 1.0 . 3.55 126 111 A 62 ASP H A 61 GLU HBy 1.0 . 3.55 127 112 A 62 ASP H A 61 GLU HGx 1.0 . 5.44 128 113 A 62 ASP H A 61 GLU HGy 1.0 . 5.44 129 114 A 62 ASP H A 62 ASP HBx 1.0 . 3.58 130 115 A 62 ASP H A 62 ASP HBy 1.0 . 3.58 131 116 A 75 ILE HG2% A 78 THR H 1.0 . 4.11 132 117 A 78 THR H A 51 ALA HB% 1.0 . 4.39 133 118 A 78 THR H A 78 THR HG2% 1.0 . 3.20 134 119 A 78 THR H A 78 THR HB 1.0 . 3.37 135 120 A 78 THR H A 77 GLY H 1.0 . 4.25 136 121 A 31 ASN HD2x A 19 THR HB 1.0 . 4.64 137 122 A 71 PRO HGy A 72 LYS H 1.0 . 4.98 138 123 A 72 LYS H A 72 LYS HBx 1.0 . 3.75 139 124 A 72 LYS H A 72 LYS HBy 1.0 . 3.75 140 125 A 71 PRO HDx A 72 LYS H 1.0 . 4.06 141 126 A 90 GLU H A 90 GLU HBx 1.0 . 3.77 142 127 A 90 GLU H A 90 GLU HBy 1.0 . 3.77 143 128 A 90 GLU H A 89 GLU HBx 1.0 . 3.53 144 128 A 90 GLU H A 89 GLU HBy 1.0 . 3.53 145 129 A 90 GLU H A 89 GLU HGx 1.0 . 5.24 146 130 A 90 GLU H A 89 GLU HGy 1.0 . 5.24 147 131 A 15 SER H A 14 CYS HBx 1.0 . 4.72 148 132 A 15 SER H A 15 SER HBx 1.0 . 4.13 149 133 A 15 SER H A 14 CYS HA 1.0 . 3.58 150 134 A 15 SER H A 15 SER HBy 1.0 . 4.13 151 135 A 13 LYS H A 15 SER H 1.0 . 5.20 152 136 A 100 LYS H A 100 LYS HBy 1.0 . 3.58 153 137 A 91 ARG H A 91 ARG HGx 1.0 . 4.19 154 138 A 91 ARG H A 91 ARG HGy 1.0 . 4.19 155 139 A 91 ARG H A 90 GLU HBx 1.0 . 4.12 156 140 A 91 ARG H A 90 GLU HBy 1.0 . 4.12 157 141 A 91 ARG H A 65 MET HE% 1.0 . 4.25 158 142 A 90 GLU H A 91 ARG H 1.0 . 3.41 159 143 A 8 LYS H A 7 LYS HGx 1.0 . 4.98 160 144 A 8 LYS H A 7 LYS HGy 1.0 . 4.98 161 145 A 8 LYS H A 8 LYS HGx 1.0 . 4.06 162 146 A 8 LYS H A 7 LYS HBx 1.0 . 4.31 163 147 A 8 LYS H A 8 LYS HGy 1.0 . 4.06 164 148 A 8 LYS H A 7 LYS HBy 1.0 . 3.26 165 149 A 8 LYS H A 8 LYS HBx 1.0 . 3.10 166 149 A 8 LYS H A 8 LYS HBy 1.0 . 3.10 167 150 A 8 LYS H A 9 ILE H 1.0 . 3.54 168 151 A 35 LEU HDy% A 35 LEU H 1.0 . 4.92 169 152 A 35 LEU H A 35 LEU HDx% 1.0 . 4.57 170 153 A 35 LEU HBy A 35 LEU H 1.0 . 3.41 171 154 A 35 LEU HBx A 35 LEU H 1.0 . 3.19 172 155 A 35 LEU H A 102 THR HA 1.0 . 5.00 173 156 A 102 THR HG1 A 35 LEU H 1.0 . 3.83 174 157 A 102 THR HB A 35 LEU H 1.0 . 3.67 175 158 A 35 LEU H A 34 GLY H 1.0 . 3.72 176 159 A 52 ASN H A 52 ASN HBy 1.0 . 3.45 177 160 A 52 ASN H A 52 ASN HBx 1.0 . 3.38 178 161 A 49 THR H A 52 ASN H 1.0 . 4.51 179 162 A 12 MET H A 11 ILE HD1% 1.0 . 5.05 180 163 A 12 MET H A 11 ILE HG2% 1.0 . 4.13 181 164 A 12 MET H A 12 MET HBx 1.0 . 3.53 182 165 A 12 MET H A 12 MET HBy 1.0 . 3.53 183 166 A 12 MET H A 8 LYS HA 1.0 . 5.16 184 167 A 12 MET H A 11 ILE H 1.0 . 3.60 185 168 A 52 ASN H A 51 ALA H 1.0 . 3.75 186 169 A 51 ALA H A 50 ALA H 1.0 . 4.28 187 170 A 66 GLU H A 66 GLU HBx 1.0 . 3.46 188 171 A 66 GLU H A 66 GLU HBy 1.0 . 3.46 189 172 A 66 GLU H A 66 GLU HGx 1.0 . 4.62 190 173 A 66 GLU H A 66 GLU HGy 1.0 . 4.62 191 174 A 65 MET H A 66 GLU H 1.0 . 3.61 192 175 A 67 TYR H A 66 GLU H 1.0 . 3.38 193 176 A 95 ILE HB A 97 TYR H 1.0 . 5.50 194 177 A 97 TYR H A 98 LEU HG 1.0 . 5.50 195 178 A 97 TYR H A 97 TYR HBx 1.0 . 3.96 196 179 A 3 VAL HA A 97 TYR H 1.0 . 3.87 197 180 A 97 TYR H A 96 ALA H 1.0 . 5.35 198 181 A 89 GLU H A 88 LYS HGx 1.0 . 4.80 199 182 A 89 GLU H A 88 LYS HGy 1.0 . 4.80 200 183 A 89 GLU H A 88 LYS HDx 1.0 . 5.41 201 183 A 89 GLU H A 88 LYS HDy 1.0 . 5.41 202 184 A 89 GLU H A 88 LYS HBx 1.0 . 4.54 203 185 A 89 GLU H A 88 LYS HBy 1.0 . 4.54 204 186 A 89 GLU H A 89 GLU HBx 1.0 . 3.46 205 186 A 89 GLU HBy A 89 GLU H 1.0 . 3.46 206 187 A 89 GLU H A 89 GLU HGx 1.0 . 4.64 207 188 A 89 GLU H A 89 GLU HGy 1.0 . 4.64 208 189 A 90 GLU H A 89 GLU H 1.0 . 3.99 209 190 A 18 HIS H A 19 THR HG2% 1.0 . 5.05 210 191 A 103 ASN H A 100 LYS HA 1.0 . 4.41 211 192 A 102 THR HB A 103 ASN H 1.0 . 4.79 212 193 A 98 LEU H A 98 LEU HDx% 1.0 . 4.53 213 194 A 98 LEU H A 98 LEU HBx 1.0 . 3.95 214 195 A 98 LEU HG A 98 LEU H 1.0 . 3.50 215 196 A 98 LEU H A 98 LEU HBy 1.0 . 3.95 216 197 A 98 LEU H A 97 TYR HBx 1.0 . 4.28 217 198 A 98 LEU H A 97 TYR HBy 1.0 . 4.28 218 199 A 97 TYR H A 98 LEU H 1.0 . 3.51 219 200 A 25 LYS H A 25 LYS HGy 1.0 . 3.96 220 201 A 25 LYS H A 25 LYS HBx 1.0 . 3.83 221 202 A 25 LYS H A 25 LYS HBy 1.0 . 3.83 222 203 A 19 THR HG2% A 25 LYS H 1.0 . 4.11 223 204 A 25 LYS H A 24 GLY HAx 1.0 . 3.63 224 205 A 24 GLY H A 25 LYS H 1.0 . 4.79 225 206 A 69 GLU H A 68 LEU HG 1.0 . 5.40 226 207 A 69 GLU H A 68 LEU HBx 1.0 . 4.83 227 208 A 69 GLU H A 69 GLU HBx 1.0 . 3.62 228 209 A 69 GLU H A 69 GLU HBy 1.0 . 3.62 229 210 A 69 GLU H A 91 ARG HDx 1.0 . 4.63 230 211 A 69 GLU H A 91 ARG HDy 1.0 . 4.63 231 212 A 65 MET H A 64 LEU HBx 1.0 . 4.21 232 213 A 65 MET H A 64 LEU HBy 1.0 . 4.21 233 214 A 65 MET H A 65 MET HBx 1.0 . 3.58 234 215 A 65 MET H A 65 MET HBy 1.0 . 3.58 235 216 A 65 MET H A 65 MET HGy 1.0 . 4.81 236 217 A 68 LEU H A 65 MET H 1.0 . 5.23 237 218 A 9 ILE H A 9 ILE HB 1.0 . 3.02 238 219 A 9 ILE H A 8 LYS HBx 1.0 . 3.63 239 219 A 8 LYS HBy A 9 ILE H 1.0 . 3.63 240 220 A 9 ILE H A 6 GLY HAy 1.0 . 4.63 241 221 A 58 ILE H A 58 ILE HD1% 1.0 . 4.32 242 222 A 58 ILE H A 58 ILE HB 1.0 . 3.38 243 223 A 57 ILE HB A 58 ILE H 1.0 . 3.35 244 224 A 58 ILE H A 57 ILE HA 1.0 . 3.23 245 225 A 46 TYR H A 46 TYR HBx 1.0 . 3.64 246 226 A 46 TYR H A 46 TYR HBy 1.0 . 3.64 247 227 A 73 LYS H A 73 LYS HGx 1.0 . 4.79 248 228 A 73 LYS H A 73 LYS HGy 1.0 . 4.79 249 229 A 73 LYS H A 73 LYS HBx 1.0 . 3.14 250 229 A 73 LYS H A 73 LYS HBy 1.0 . 3.14 251 230 A 73 LYS H A 72 LYS HBx 1.0 . 4.74 252 231 A 73 LYS H A 72 LYS HBy 1.0 . 4.74 253 232 A 73 LYS H A 73 LYS HEx 1.0 . 5.25 254 232 A 73 LYS H A 73 LYS HEy 1.0 . 5.25 255 233 A 73 LYS H A 72 LYS H 1.0 . 3.40 256 234 A 98 LEU HA A 101 ALA H 1.0 . 4.23 257 235 A 100 LYS H A 101 ALA H 1.0 . 3.25 258 236 A 102 THR H A 101 ALA H 1.0 . 3.55 259 237 A 95 ILE H A 95 ILE HG1x 1.0 . 4.06 260 238 A 95 ILE H A 94 LEU HG 1.0 . 5.27 261 239 A 95 ILE H A 94 LEU HBx 1.0 . 4.21 262 240 A 95 ILE H A 95 ILE HG1y 1.0 . 4.06 263 241 A 95 ILE H A 94 LEU HBy 1.0 . 3.51 264 242 A 95 ILE HB A 95 ILE H 1.0 . 3.23 265 243 A 95 ILE H A 92 ALA HA 1.0 . 4.42 266 244 A 96 ALA H A 95 ILE H 1.0 . 3.28 267 245 A 91 ARG H A 92 ALA H 1.0 . 3.55 268 246 A 33 HIS H A 32 LEU HBx 1.0 . 4.71 269 247 A 33 HIS H A 32 LEU HBy 1.0 . 4.71 270 248 A 33 HIS H A 33 HIS HBx 1.0 . 3.62 271 249 A 33 HIS H A 33 HIS HBy 1.0 . 3.62 272 250 A 33 HIS H A 32 LEU H 1.0 . 3.96 273 251 A 87 LYS H A 87 LYS HGx 1.0 . 4.06 274 252 A 87 LYS H A 87 LYS HGy 1.0 . 4.06 275 253 A 87 LYS H A 87 LYS HBx 1.0 . 3.66 276 254 A 87 LYS H A 87 LYS HBy 1.0 . 3.66 277 255 A 87 LYS H A 86 LYS H 1.0 . 4.11 278 256 A 85 ILE H A 85 ILE HB 1.0 . 3.60 279 257 A 85 ILE H A 84 GLY HAy 1.0 . 3.63 280 258 A 85 ILE H A 84 GLY HAx 1.0 . 3.63 281 259 A 85 ILE H A 82 PHE HE% 1.0 . 4.62 282 260 A 74 TYR H A 73 LYS HBx 1.0 . 3.60 283 260 A 73 LYS HBy A 74 TYR H 1.0 . 3.60 284 261 A 74 TYR H A 74 TYR HBx 1.0 . 3.53 285 262 A 74 TYR H A 74 TYR HBy 1.0 . 3.53 286 263 A 73 LYS H A 74 TYR H 1.0 . 3.27 287 264 A 75 ILE H A 74 TYR H 1.0 . 3.41 288 265 A 4 GLU H A 4 GLU HBx 1.0 . 3.75 289 266 A 4 GLU H A 4 GLU HBy 1.0 . 3.75 290 267 A 4 GLU H A 4 GLU HGx 1.0 . 3.65 291 268 A 4 GLU H A 4 GLU HGy 1.0 . 3.65 292 269 A 4 GLU H A 2 ASP HA 1.0 . 5.04 293 270 A 64 LEU H A 64 LEU HDx% 1.0 . 4.17 294 271 A 64 LEU H A 64 LEU HDy% 1.0 . 4.33 295 272 A 64 LEU HG A 64 LEU H 1.0 . 3.53 296 273 A 64 LEU H A 63 THR HG2% 1.0 . 4.19 297 274 A 64 LEU H A 63 THR HB 1.0 . 4.82 298 275 A 64 LEU H A 65 MET H 1.0 . 3.38 299 276 A 10 PHE H A 10 PHE HBx 1.0 . 3.42 300 277 A 10 PHE H A 10 PHE HBy 1.0 . 3.42 301 278 A 10 PHE H A 10 PHE HDx 1.0 . 5.06 302 279 A 9 ILE H A 10 PHE H 1.0 . 3.51 303 280 A 12 MET H A 10 PHE H 1.0 . 4.80 304 281 A 11 ILE H A 10 PHE H 1.0 . 3.71 305 282 A 94 LEU H A 94 LEU HDy% 1.0 . 4.75 306 283 A 94 LEU HG A 94 LEU H 1.0 . 4.59 307 284 A 94 LEU HBx A 94 LEU H 1.0 . 3.43 308 285 A 94 LEU HBy A 94 LEU H 1.0 . 3.33 309 286 A 94 LEU H A 93 ASP HBx 1.0 . 3.56 310 286 A 93 ASP HBy A 94 LEU H 1.0 . 3.56 311 287 A 94 LEU H A 93 ASP H 1.0 . 3.84 312 288 A 95 ILE H A 94 LEU H 1.0 . 3.60 313 289 A 5 LYS H A 5 LYS HGy 1.0 . 4.24 314 290 A 5 LYS H A 5 LYS HBx 1.0 . 3.35 315 290 A 5 LYS HBy A 5 LYS H 1.0 . 3.35 316 291 A 5 LYS H A 4 GLU HBx 1.0 . 3.96 317 292 A 5 LYS H A 4 GLU HBy 1.0 . 3.96 318 293 A 5 LYS H A 2 ASP HA 1.0 . 5.16 319 294 A 53 LYS H A 53 LYS HGx 1.0 . 3.94 320 294 A 53 LYS HGy A 53 LYS H 1.0 . 3.94 321 295 A 53 LYS H A 53 LYS HBy 1.0 . 3.35 322 296 A 53 LYS HBx A 53 LYS H 1.0 . 3.45 323 297 A 53 LYS H A 48 TYR HBx 1.0 . 4.83 324 298 A 53 LYS H A 52 ASN HBy 1.0 . 3.76 325 299 A 53 LYS H A 52 ASN HBx 1.0 . 4.14 326 300 A 67 TYR H A 66 GLU HBx 1.0 . 4.37 327 301 A 67 TYR H A 66 GLU HBy 1.0 . 4.37 328 302 A 67 TYR H A 66 GLU HGx 1.0 . 5.21 329 303 A 67 TYR H A 67 TYR HBx 1.0 . 3.47 330 304 A 67 TYR H A 67 TYR HBy 1.0 . 3.47 331 305 A 67 TYR H A 59 TRP HZ3 1.0 . 4.69 332 306 A 67 TYR H A 65 MET H 1.0 . 5.33 333 307 A 67 TYR H A 74 TYR HD% 1.0 . 5.50 334 308 A 55 LYS H A 55 LYS HGx 1.0 . 4.76 335 309 A 55 LYS H A 55 LYS HGy 1.0 . 4.76 336 310 A 55 LYS H A 55 LYS HBx 1.0 . 3.14 337 310 A 55 LYS HBy A 55 LYS H 1.0 . 3.14 338 311 A 55 LYS H A 54 ASN HBx 1.0 . 4.79 339 312 A 40 THR HG1 A 55 LYS H 1.0 . 4.92 340 313 A 56 GLY H A 55 LYS H 1.0 . 4.69 341 314 A 54 ASN H A 55 LYS H 1.0 . 3.47 342 315 A 11 ILE HD1% A 11 ILE H 1.0 . 4.06 343 316 A 11 ILE HG2% A 11 ILE H 1.0 . 4.00 344 317 A 11 ILE H A 11 ILE HB 1.0 . 3.16 345 318 A 11 ILE H A 11 ILE HG1y 1.0 . 3.50 346 319 A 9 ILE HA A 11 ILE H 1.0 . 4.76 347 320 A 9 ILE H A 11 ILE H 1.0 . 4.90 348 321 A 65 MET HE% A 93 ASP H 1.0 . 5.50 349 322 A 93 ASP H A 93 ASP HBx 1.0 . 3.29 350 322 A 93 ASP HBy A 93 ASP H 1.0 . 3.29 351 323 A 92 ALA H A 93 ASP H 1.0 . 3.63 352 324 A 32 LEU H A 31 ASN HBx 1.0 . 4.72 353 325 A 32 LEU H A 31 ASN HBy 1.0 . 4.72 354 326 A 39 LYS H A 39 LYS HGy 1.0 . 4.65 355 327 A 39 LYS H A 39 LYS HBx 1.0 . 3.74 356 328 A 39 LYS H A 39 LYS HDx 1.0 . 4.27 357 328 A 39 LYS HDy A 39 LYS H 1.0 . 4.27 358 329 A 39 LYS H A 39 LYS HBy 1.0 . 3.74 359 330 A 39 LYS H A 38 ARG HA 1.0 . 3.08 360 331 A 95 ILE HB A 96 ALA H 1.0 . 3.77 361 332 A 15 SER H A 16 GLN H 1.0 . 4.86 362 333 A 17 CYS H A 16 GLN H 1.0 . 4.43 363 334 A 79 LYS H A 79 LYS HGy 1.0 . 4.45 364 335 A 79 LYS H A 79 LYS HDx 1.0 . 4.85 365 336 A 79 LYS H A 79 LYS HDy 1.0 . 4.85 366 337 A 79 LYS H A 80 MET HA 1.0 . 4.87 367 338 A 79 LYS H A 49 THR HG1 1.0 . 3.85 368 339 A 80 MET H A 78 THR HA 1.0 . 4.61 369 340 A 79 LYS H A 80 MET H 1.0 . 3.93 370 341 A 38 ARG H A 58 ILE HG2% 1.0 . 4.51 371 342 A 38 ARG H A 38 ARG HBx 1.0 . 3.69 372 343 A 38 ARG H A 36 PHE HA 1.0 . 3.87 373 344 A 38 ARG H A 59 TRP H 1.0 . 4.54 374 345 A 38 ARG H A 37 GLY H 1.0 . 3.44 375 346 A 99 LYS H A 98 LEU HBx 1.0 . 4.15 376 347 A 99 LYS H A 99 LYS HBx 1.0 . 3.53 377 348 A 99 LYS H A 99 LYS HBy 1.0 . 3.53 378 349 A 99 LYS H A 98 LEU HBy 1.0 . 4.15 379 350 A 99 LYS H A 95 ILE HA 1.0 . 4.65 380 351 A 100 LYS H A 99 LYS H 1.0 . 3.50 381 352 A 97 TYR H A 99 LYS H 1.0 . 4.85 382 353 A 102 THR H A 99 LYS H 1.0 . 5.45 383 354 A 3 VAL H A 3 VAL HGx% 1.0 . 3.67 384 355 A 3 VAL H A 3 VAL HB 1.0 . 3.53 385 356 A 3 VAL H A 4 GLU HA 1.0 . 5.03 386 357 A 2 ASP HA A 3 VAL H 1.0 . 2.87 387 358 A 4 GLU H A 3 VAL H 1.0 . 3.67 388 359 A 7 LYS H A 7 LYS HGx 1.0 . 4.78 389 360 A 7 LYS H A 7 LYS HGy 1.0 . 4.78 390 361 A 7 LYS H A 7 LYS HBx 1.0 . 3.53 391 362 A 7 LYS H A 7 LYS HBy 1.0 . 3.42 392 363 A 7 LYS H A 4 GLU HA 1.0 . 4.05 393 364 A 7 LYS H A 8 LYS H 1.0 . 3.63 394 365 A 48 TYR HBx A 48 TYR H 1.0 . 3.41 395 366 A 48 TYR HBy A 48 TYR H 1.0 . 3.74 396 367 A 48 TYR H A 48 TYR HDy 1.0 . 4.22 397 368 A 48 TYR H A 48 TYR HEx 1.0 . 4.58 398 369 A 48 TYR H A 48 TYR HDx 1.0 . 4.10 399 370 A 50 ALA H A 49 THR HG2% 1.0 . 4.11 400 371 A 50 ALA H A 49 THR HB 1.0 . 3.13 401 372 A 104 GLU H A 104 GLU HBx 1.0 . 3.97 402 373 A 104 GLU H A 104 GLU HBy 1.0 . 3.97 403 374 A 104 GLU H A 104 GLU HGx 1.0 . 4.12 404 374 A 104 GLU H A 104 GLU HGy 1.0 . 4.12 405 375 A 103 ASN H A 104 GLU H 1.0 . 3.43 406 376 A 59 TRP HE1 A 35 LEU HDx% 1.0 . 4.62 407 377 A 40 THR HB A 59 TRP HE1 1.0 . 4.74 408 378 A 43 ALA H A 48 TYR HEy 1.0 . 3.93 409 379 A 48 TYR HEx A 43 ALA H 1.0 . 4.70 410 380 A 42 GLN H A 43 ALA H 1.0 . 3.71 411 381 A 43 ALA H A 48 TYR HH 1.0 . 3.83 412 382 A 27 LYS H A 27 LYS HGx 1.0 . 4.71 413 383 A 27 LYS H A 31 ASN H 1.0 . 5.50 414 384 A 27 LYS H A 26 HIS HBy 1.0 . 4.30 415 385 A 27 LYS H A 26 HIS HBx 1.0 . 4.72 416 386 A 27 LYS H A 26 HIS HA 1.0 . 3.38 417 387 A 22 LYS H A 22 LYS HBx 1.0 . 3.89 418 388 A 22 LYS H A 22 LYS HBy 1.0 . 3.89 419 389 A 22 LYS H A 21 GLU HBx 1.0 . 3.94 420 389 A 21 GLU HBy A 22 LYS H 1.0 . 3.94 421 390 A 22 LYS H A 21 GLU HA 1.0 . 3.41 422 391 A 31 ASN H A 30 PRO HGy 1.0 . 5.50 423 392 A 31 ASN H A 30 PRO HBy 1.0 . 4.50 424 393 A 31 ASN H A 30 PRO HBx 1.0 . 4.50 425 394 A 31 ASN H A 31 ASN HBx 1.0 . 3.77 426 395 A 31 ASN H A 31 ASN HBy 1.0 . 3.77 427 396 A 31 ASN H A 26 HIS HA 1.0 . 4.08 428 397 A 59 TRP H A 57 ILE HD1% 1.0 . 4.71 429 398 A 58 ILE HD1% A 59 TRP H 1.0 . 3.90 430 399 A 59 TRP H A 58 ILE HG1x 1.0 . 5.50 431 400 A 59 TRP H A 58 ILE HG1y 1.0 . 5.50 432 401 A 58 ILE HB A 59 TRP H 1.0 . 4.71 433 402 A 59 TRP H A 59 TRP HBx 1.0 . 3.98 434 403 A 59 TRP H A 59 TRP HBy 1.0 . 3.98 435 404 A 59 TRP H A 58 ILE HA 1.0 . 2.94 436 405 A 39 LYS HA A 59 TRP H 1.0 . 4.36 437 406 A 58 ILE H A 59 TRP H 1.0 . 4.73 438 407 A 81 ILE HB A 81 ILE HD1% 1.0 . 3.74 439 408 A 81 ILE HD1% A 81 ILE HA 1.0 . 3.74 440 409 A 81 ILE H A 81 ILE HD1% 1.0 . 4.64 441 410 A 58 ILE HD1% A 58 ILE HB 1.0 . 3.41 442 411 A 58 ILE HD1% A 37 GLY HAx 1.0 . 5.50 443 412 A 39 LYS HA A 58 ILE HD1% 1.0 . 4.01 444 413 A 58 ILE HD1% A 39 LYS H 1.0 . 4.52 445 414 A 11 ILE HD1% A 11 ILE HB 1.0 . 3.17 446 415 A 11 ILE HD1% A 11 ILE HA 1.0 . 4.29 447 416 A 11 ILE HD1% A 8 LYS HA 1.0 . 3.59 448 417 A 75 ILE HG2% A 75 ILE HD1% 1.0 . 3.03 449 418 A 75 ILE HB A 75 ILE HD1% 1.0 . 3.50 450 419 A 75 ILE HD1% A 75 ILE HA 1.0 . 3.90 451 420 A 78 THR HB A 75 ILE HD1% 1.0 . 4.51 452 421 A 75 ILE H A 75 ILE HD1% 1.0 . 4.68 453 422 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 3.22 454 423 A 85 ILE HB A 85 ILE HD1% 1.0 . 3.47 455 424 A 85 ILE HD1% A 13 LYS HDy 1.0 . 4.76 456 425 A 94 LEU HBy A 85 ILE HD1% 1.0 . 4.33 457 426 A 85 ILE HD1% A 85 ILE HA 1.0 . 4.43 458 427 A 85 ILE HD1% A 82 PHE HZ 1.0 . 3.96 459 428 A 82 PHE HE% A 85 ILE HD1% 1.0 . 4.10 460 429 A 85 ILE H A 85 ILE HD1% 1.0 . 4.67 461 430 A 57 ILE HG2% A 57 ILE HD1% 1.0 . 3.32 462 431 A 63 THR HG2% A 57 ILE HD1% 1.0 . 3.54 463 432 A 57 ILE HB A 57 ILE HD1% 1.0 . 3.37 464 433 A 57 ILE HD1% A 58 ILE HA 1.0 . 4.50 465 434 A 57 ILE HD1% A 63 THR HA 1.0 . 5.16 466 435 A 63 THR HB A 57 ILE HD1% 1.0 . 3.16 467 436 A 59 TRP HA A 57 ILE HD1% 1.0 . 4.00 468 437 A 57 ILE H A 57 ILE HD1% 1.0 . 4.09 469 438 A 59 TRP HE3 A 57 ILE HD1% 1.0 . 4.47 470 439 A 40 THR H A 57 ILE HD1% 1.0 . 4.93 471 440 A 60 GLY H A 57 ILE HD1% 1.0 . 5.47 472 441 A 74 TYR HD% A 57 ILE HD1% 1.0 . 5.50 473 442 A 58 ILE H A 57 ILE HD1% 1.0 . 4.18 474 443 A 95 ILE HB A 95 ILE HD1% 1.0 . 3.19 475 444 A 95 ILE HD1% A 61 GLU HBx 1.0 . 4.74 476 444 A 61 GLU HBy A 95 ILE HD1% 1.0 . 4.74 477 445 A 95 ILE HD1% A 65 MET HBx 1.0 . 5.45 478 446 A 95 ILE HD1% A 65 MET HBy 1.0 . 5.45 479 447 A 95 ILE HD1% A 65 MET HGx 1.0 . 4.81 480 448 A 95 ILE HD1% A 65 MET HGy 1.0 . 4.81 481 449 A 95 ILE HA A 95 ILE HD1% 1.0 . 3.99 482 450 A 65 MET HA A 95 ILE HD1% 1.0 . 3.16 483 451 A 92 ALA HA A 95 ILE HD1% 1.0 . 3.44 484 452 A 65 MET H A 95 ILE HD1% 1.0 . 3.78 485 453 A 95 ILE H A 95 ILE HD1% 1.0 . 3.78 486 454 A 9 ILE HB A 9 ILE HD1% 1.0 . 2.78 487 455 A 9 ILE HD1% A 90 GLU HGx 1.0 . 3.51 488 455 A 9 ILE HD1% A 90 GLU HGy 1.0 . 3.51 489 456 A 9 ILE HD1% A 93 ASP HBx 1.0 . 3.56 490 456 A 93 ASP HBy A 9 ILE HD1% 1.0 . 3.56 491 457 A 6 GLY HAy A 9 ILE HD1% 1.0 . 3.67 492 458 A 9 ILE HA A 9 ILE HD1% 1.0 . 3.89 493 459 A 9 ILE HD1% A 94 LEU HA 1.0 . 4.49 494 460 A 9 ILE HD1% A 90 GLU HA 1.0 . 3.52 495 461 A 9 ILE H A 9 ILE HD1% 1.0 . 3.97 496 462 A 94 LEU H A 9 ILE HD1% 1.0 . 4.40 497 463 A 10 PHE H A 9 ILE HD1% 1.0 . 5.27 498 464 A 65 MET HE% A 95 ILE HD1% 1.0 . 3.30 499 465 A 65 MET HE% A 92 ALA HB% 1.0 . 3.07 500 466 A 65 MET HE% A 91 ARG HDx 1.0 . 5.07 501 467 A 65 MET HE% A 88 LYS HA 1.0 . 3.77 502 468 A 65 MET HA A 65 MET HE% 1.0 . 3.22 503 469 A 65 MET HE% A 91 ARG HE 1.0 . 4.89 504 470 A 65 MET HE% A 66 GLU H 1.0 . 5.50 505 471 A 65 MET H A 65 MET HE% 1.0 . 4.40 506 472 A 65 MET HE% A 92 ALA H 1.0 . 3.43 507 473 A 12 MET H A 12 MET HE% 1.0 . 5.33 508 474 A 11 ILE HG2% A 11 ILE HA 1.0 . 3.38 509 475 A 50 ALA HB% A 49 THR HB 1.0 . 4.16 510 476 A 50 ALA HB% A 51 ALA H 1.0 . 3.55 511 477 A 50 ALA HB% A 50 ALA H 1.0 . 3.60 512 478 A 58 ILE HD1% A 58 ILE HG2% 1.0 . 2.40 513 479 A 58 ILE HG2% A 58 ILE HG1y 1.0 . 3.90 514 480 A 58 ILE HG2% A 37 GLY HAy 1.0 . 3.29 515 481 A 58 ILE HG2% A 58 ILE HA 1.0 . 3.27 516 482 A 58 ILE HG2% A 37 GLY HAx 1.0 . 4.44 517 483 A 38 ARG HA A 58 ILE HG2% 1.0 . 4.74 518 484 A 39 LYS HA A 58 ILE HG2% 1.0 . 4.58 519 485 A 58 ILE H A 58 ILE HG2% 1.0 . 4.06 520 486 A 58 ILE HG2% A 59 TRP H 1.0 . 3.54 521 487 A 58 ILE HG2% A 37 GLY H 1.0 . 3.79 522 488 A 93 ASP HA A 96 ALA HB% 1.0 . 3.69 523 489 A 2 ASP HA A 96 ALA HB% 1.0 . 4.77 524 490 A 96 ALA H A 96 ALA HB% 1.0 . 3.10 525 491 A 97 TYR H A 96 ALA HB% 1.0 . 3.58 526 492 A 3 VAL H A 96 ALA HB% 1.0 . 5.13 527 493 A 81 ILE HG2% A 82 PHE HA 1.0 . 4.89 528 494 A 81 ILE HA A 81 ILE HG2% 1.0 . 3.20 529 495 A 81 ILE H A 81 ILE HG2% 1.0 . 4.14 530 496 A 81 ILE HG2% A 82 PHE H 1.0 . 4.36 531 497 A 64 LEU HDx% A 95 ILE HG2% 1.0 . 3.71 532 498 A 95 ILE HG2% A 95 ILE HG1x 1.0 . 3.51 533 499 A 95 ILE HD1% A 95 ILE HG2% 1.0 . 3.33 534 500 A 95 ILE HG2% A 95 ILE HG1y 1.0 . 3.51 535 501 A 95 ILE HG2% A 61 GLU HBx 1.0 . 3.71 536 501 A 61 GLU HBy A 95 ILE HG2% 1.0 . 3.71 537 502 A 95 ILE HG2% A 61 GLU HGx 1.0 . 3.92 538 503 A 95 ILE HG2% A 61 GLU HGy 1.0 . 3.92 539 504 A 95 ILE HA A 95 ILE HG2% 1.0 . 3.47 540 505 A 95 ILE HG2% A 61 GLU HA 1.0 . 3.19 541 506 A 95 ILE HG2% A 36 PHE HE% 1.0 . 3.78 542 507 A 95 ILE HG2% A 36 PHE HZ 1.0 . 3.54 543 508 A 96 ALA H A 95 ILE HG2% 1.0 . 4.13 544 509 A 95 ILE H A 95 ILE HG2% 1.0 . 4.17 545 510 A 99 LYS H A 95 ILE HG2% 1.0 . 4.58 546 511 A 92 ALA HB% A 1 GLY HAy 1.0 . 5.12 547 512 A 92 ALA HB% A 89 GLU HA 1.0 . 3.12 548 513 A 92 ALA HB% A 93 ASP HA 1.0 . 4.39 549 514 A 93 ASP H A 92 ALA HB% 1.0 . 3.57 550 515 A 92 ALA H A 92 ALA HB% 1.0 . 3.04 551 516 A 85 ILE HD1% A 9 ILE HG2% 1.0 . 3.43 552 517 A 9 ILE HD1% A 9 ILE HG2% 1.0 . 3.32 553 518 A 9 ILE HG2% A 9 ILE HG1x 1.0 . 3.40 554 519 A 94 LEU HBx A 9 ILE HG2% 1.0 . 2.99 555 520 A 13 LYS HBx A 9 ILE HG2% 1.0 . 3.32 556 521 A 9 ILE HG2% A 9 ILE HG1y 1.0 . 3.40 557 522 A 9 ILE HG2% A 90 GLU HGx 1.0 . 4.39 558 522 A 90 GLU HGy A 9 ILE HG2% 1.0 . 4.39 559 523 A 9 ILE HG2% A 13 LYS HEx 1.0 . 4.31 560 523 A 9 ILE HG2% A 13 LYS HEy 1.0 . 4.31 561 524 A 9 ILE HA A 9 ILE HG2% 1.0 . 3.31 562 525 A 94 LEU HA A 9 ILE HG2% 1.0 . 4.65 563 526 A 9 ILE HG2% A 6 GLY HAx 1.0 . 5.22 564 527 A 9 ILE H A 9 ILE HG2% 1.0 . 4.30 565 528 A 94 LEU H A 9 ILE HG2% 1.0 . 4.62 566 529 A 10 PHE H A 9 ILE HG2% 1.0 . 4.18 567 530 A 13 LYS H A 9 ILE HG2% 1.0 . 4.40 568 531 A 85 ILE HG2% A 90 GLU HBx 1.0 . 3.47 569 532 A 85 ILE HG2% A 90 GLU HBy 1.0 . 3.47 570 533 A 85 ILE HG2% A 90 GLU HGx 1.0 . 4.03 571 533 A 85 ILE HG2% A 90 GLU HGy 1.0 . 4.03 572 534 A 85 ILE HG2% A 85 ILE HA 1.0 . 3.49 573 535 A 85 ILE HG2% A 82 PHE HZ 1.0 . 4.67 574 536 A 90 GLU H A 85 ILE HG2% 1.0 . 4.35 575 537 A 91 ARG H A 85 ILE HG2% 1.0 . 3.98 576 538 A 85 ILE H A 85 ILE HG2% 1.0 . 4.41 577 539 A 87 LYS H A 85 ILE HG2% 1.0 . 3.74 578 540 A 43 ALA HB% A 44 PRO HDx 1.0 . 4.26 579 541 A 43 ALA HB% A 44 PRO HDy 1.0 . 4.26 580 542 A 48 TYR HEy A 43 ALA HB% 1.0 . 4.93 581 543 A 46 TYR H A 43 ALA HB% 1.0 . 4.14 582 544 A 42 GLN H A 43 ALA HB% 1.0 . 4.47 583 545 A 43 ALA H A 43 ALA HB% 1.0 . 3.27 584 546 A 48 TYR HH A 43 ALA HB% 1.0 . 4.55 585 547 A 20 VAL HGy% A 21 GLU HGx 1.0 . 4.42 586 547 A 21 GLU HGy A 20 VAL HGy% 1.0 . 4.42 587 548 A 21 GLU HA A 20 VAL HGy% 1.0 . 4.24 588 549 A 20 VAL HGy% A 20 VAL HA 1.0 . 3.98 589 550 A 20 VAL HGy% A 97 TYR HEy 1.0 . 4.65 590 551 A 20 VAL H A 20 VAL HGy% 1.0 . 3.46 591 552 A 21 GLU H A 20 VAL HGy% 1.0 . 3.98 592 553 A 101 ALA HB% A 7 LYS HDx 1.0 . 4.49 593 553 A 7 LYS HDy A 101 ALA HB% 1.0 . 4.49 594 554 A 101 ALA HB% A 20 VAL HB 1.0 . 3.89 595 555 A 98 LEU HA A 101 ALA HB% 1.0 . 3.68 596 556 A 100 LYS H A 101 ALA HB% 1.0 . 4.39 597 557 A 101 ALA HB% A 97 TYR HEx 1.0 . 3.91 598 558 A 101 ALA HB% A 97 TYR HDx 1.0 . 4.49 599 559 A 102 THR H A 101 ALA HB% 1.0 . 3.68 600 560 A 101 ALA H A 101 ALA HB% 1.0 . 3.01 601 561 A 75 ILE HG2% A 51 ALA HB% 1.0 . 2.96 602 562 A 51 ALA HB% A 49 THR HB 1.0 . 3.79 603 563 A 51 ALA HB% A 78 THR HA 1.0 . 4.02 604 564 A 51 ALA HB% A 51 ALA H 1.0 . 3.11 605 565 A 51 ALA HB% A 52 ASN H 1.0 . 3.37 606 566 A 75 ILE HG2% A 75 ILE HG1y 1.0 . 3.93 607 567 A 75 ILE HG2% A 76 PRO HDy 1.0 . 4.77 608 568 A 75 ILE HG2% A 51 ALA HA 1.0 . 4.79 609 569 A 75 ILE HG2% A 75 ILE HA 1.0 . 3.23 610 570 A 75 ILE HG2% A 78 THR HA 1.0 . 4.21 611 571 A 75 ILE HG2% A 78 THR HB 1.0 . 3.45 612 572 A 75 ILE HG2% A 55 LYS H 1.0 . 5.22 613 573 A 75 ILE HG2% A 52 ASN H 1.0 . 4.20 614 574 A 75 ILE H A 75 ILE HG2% 1.0 . 4.45 615 575 A 68 LEU HBy A 68 LEU HDy% 1.0 . 4.01 616 576 A 85 ILE HD1% A 68 LEU HDy% 1.0 . 3.91 617 577 A 68 LEU HBx A 68 LEU HDy% 1.0 . 4.09 618 578 A 68 LEU HA A 68 LEU HDy% 1.0 . 4.56 619 579 A 68 LEU H A 68 LEU HDy% 1.0 . 4.43 620 580 A 83 VAL HGx% A 84 GLY H 1.0 . 4.14 621 581 A 82 PHE HA A 83 VAL HGx% 1.0 . 4.07 622 582 A 84 GLY H A 83 VAL HGy% 1.0 . 4.00 623 583 A 82 PHE HA A 83 VAL HGy% 1.0 . 3.92 624 584 A 82 PHE HE% A 83 VAL HGy% 1.0 . 4.74 625 585 A 83 VAL HGy% A 83 VAL H 1.0 . 4.65 626 586 A 28 THR HG2% A 29 GLY H 1.0 . 4.72 627 587 A 75 ILE HG2% A 78 THR HG2% 1.0 . 4.60 628 588 A 78 THR HG2% A 80 MET HA 1.0 . 4.37 629 589 A 78 THR HG2% A 78 THR HA 1.0 . 3.30 630 590 A 78 THR HG2% A 79 LYS H 1.0 . 4.75 631 591 A 78 THR HG2% A 80 MET H 1.0 . 3.78 632 592 A 78 THR HG2% A 77 GLY H 1.0 . 4.29 633 593 A 75 ILE H A 78 THR HG2% 1.0 . 4.32 634 594 A 3 VAL HGy% A 100 LYS HDy 1.0 . 4.58 635 595 A 97 TYR HA A 3 VAL HGy% 1.0 . 4.37 636 596 A 4 GLU H A 3 VAL HGy% 1.0 . 4.10 637 597 A 3 VAL H A 3 VAL HGy% 1.0 . 3.67 638 598 A 3 VAL HGx% A 100 LYS HDx 1.0 . 4.58 639 599 A 3 VAL HGx% A 100 LYS HDy 1.0 . 4.58 640 600 A 4 GLU H A 3 VAL HGx% 1.0 . 4.10 641 601 A 49 THR HG2% A 79 LYS HGx 1.0 . 4.03 642 602 A 49 THR HG2% A 79 LYS HGy 1.0 . 4.03 643 603 A 49 THR HG2% A 79 LYS HDx 1.0 . 3.84 644 604 A 49 THR HG2% A 79 LYS HDy 1.0 . 3.84 645 605 A 49 THR HG2% A 79 LYS HA 1.0 . 4.69 646 606 A 78 THR HA A 49 THR HG2% 1.0 . 3.81 647 607 A 51 ALA H A 49 THR HG2% 1.0 . 4.74 648 608 A 79 LYS H A 49 THR HG2% 1.0 . 3.68 649 609 A 49 THR H A 49 THR HG2% 1.0 . 3.44 650 610 A 57 ILE HG2% A 57 ILE HG1y 1.0 . 3.63 651 611 A 57 ILE HG2% A 57 ILE HA 1.0 . 3.15 652 612 A 57 ILE HG2% A 74 TYR HE% 1.0 . 4.63 653 613 A 57 ILE HG2% A 58 ILE H 1.0 . 3.98 654 614 A 35 LEU HDy% A 102 THR HG2% 1.0 . 4.12 655 615 A 20 VAL HB A 102 THR HG2% 1.0 . 3.74 656 616 A 102 THR HG2% A 32 LEU HBx 1.0 . 3.96 657 617 A 102 THR HG2% A 32 LEU HBy 1.0 . 3.96 658 618 A 98 LEU HA A 102 THR HG2% 1.0 . 3.63 659 619 A 102 THR HG2% A 33 HIS HA 1.0 . 3.91 660 620 A 102 THR HA A 102 THR HG2% 1.0 . 3.45 661 621 A 36 PHE HE% A 102 THR HG2% 1.0 . 4.88 662 622 A 103 ASN H A 102 THR HG2% 1.0 . 4.29 663 623 A 102 THR H A 102 THR HG2% 1.0 . 3.37 664 624 A 101 ALA H A 102 THR HG2% 1.0 . 4.41 665 625 A 34 GLY H A 102 THR HG2% 1.0 . 4.93 666 626 A 19 THR H A 19 THR HG2% 1.0 . 3.74 667 627 A 19 THR HG2% A 31 ASN HA 1.0 . 4.26 668 628 A 19 THR HA A 19 THR HG2% 1.0 . 3.19 669 629 A 20 VAL H A 19 THR HG2% 1.0 . 4.16 670 630 A 98 LEU HBx A 98 LEU HDy% 1.0 . 3.99 671 631 A 98 LEU HBy A 98 LEU HDy% 1.0 . 3.99 672 632 A 98 LEU HA A 98 LEU HDy% 1.0 . 4.59 673 633 A 98 LEU H A 98 LEU HDy% 1.0 . 4.53 674 634 A 40 THR HG2% A 57 ILE HD1% 1.0 . 3.45 675 635 A 40 THR HG2% A 55 LYS HGx 1.0 . 4.39 676 636 A 40 THR HG2% A 55 LYS HGy 1.0 . 4.39 677 637 A 40 THR HG2% A 57 ILE HB 1.0 . 4.68 678 638 A 40 THR HG2% A 75 ILE HD1% 1.0 . 3.81 679 639 A 40 THR HG2% A 55 LYS HBx 1.0 . 3.45 680 639 A 40 THR HG2% A 55 LYS HBy 1.0 . 3.45 681 640 A 40 THR HG2% A 40 THR HG1 1.0 . 3.92 682 641 A 40 THR HG2% A 39 LYS HA 1.0 . 4.29 683 642 A 40 THR HG2% A 57 ILE H 1.0 . 3.75 684 643 A 40 THR HG2% A 74 TYR HE% 1.0 . 4.76 685 644 A 40 THR HG2% A 55 LYS H 1.0 . 5.50 686 645 A 40 THR HG2% A 52 ASN HD2y 1.0 . 4.42 687 646 A 40 THR HG2% A 40 THR H 1.0 . 3.12 688 647 A 40 THR HG2% A 52 ASN HD2x 1.0 . 4.42 689 648 A 40 THR HG2% A 41 GLY H 1.0 . 4.54 690 649 A 40 THR HG2% A 59 TRP HE1 1.0 . 3.70 691 650 A 35 LEU HDy% A 64 LEU HDy% 1.0 . 3.75 692 651 A 64 LEU HDy% A 64 LEU HBx 1.0 . 3.98 693 652 A 64 LEU HDy% A 64 LEU HBy 1.0 . 3.98 694 653 A 64 LEU HDy% A 67 TYR HBx 1.0 . 4.66 695 654 A 64 LEU HDy% A 67 TYR HBy 1.0 . 4.66 696 655 A 64 LEU HDy% A 64 LEU HA 1.0 . 3.22 697 656 A 59 TRP HA A 64 LEU HDy% 1.0 . 4.65 698 657 A 60 GLY H A 64 LEU HDy% 1.0 . 4.85 699 658 A 65 MET H A 64 LEU HDy% 1.0 . 5.50 700 659 A 68 LEU H A 64 LEU HDy% 1.0 . 4.87 701 660 A 20 VAL HA A 20 VAL HGx% 1.0 . 3.26 702 661 A 97 TYR HEy A 20 VAL HGx% 1.0 . 4.32 703 662 A 19 THR HA A 20 VAL HGx% 1.0 . 4.29 704 663 A 20 VAL HGx% A 10 PHE HZ 1.0 . 3.84 705 664 A 20 VAL H A 20 VAL HGx% 1.0 . 3.77 706 665 A 32 LEU H A 20 VAL HGx% 1.0 . 4.52 707 666 A 79 LYS H A 79 LYS HGx 1.0 . 4.45 708 667 A 94 LEU HBx A 94 LEU HDx% 1.0 . 4.10 709 668 A 94 LEU HBy A 94 LEU HDx% 1.0 . 3.48 710 669 A 94 LEU H A 94 LEU HDx% 1.0 . 4.75 711 670 A 95 ILE H A 94 LEU HDx% 1.0 . 4.75 712 671 A 57 ILE HG2% A 63 THR HG2% 1.0 . 4.71 713 672 A 63 THR HG2% A 62 ASP HBx 1.0 . 4.44 714 673 A 63 THR HG2% A 62 ASP HBy 1.0 . 4.44 715 674 A 63 THR HG1 A 63 THR HG2% 1.0 . 2.80 716 675 A 59 TRP HA A 63 THR HG2% 1.0 . 3.91 717 676 A 63 THR HG2% A 74 TYR HE% 1.0 . 4.51 718 677 A 59 TRP HE3 A 63 THR HG2% 1.0 . 4.97 719 678 A 60 GLY H A 63 THR HG2% 1.0 . 4.52 720 679 A 63 THR H A 63 THR HG2% 1.0 . 3.31 721 680 A 31 ASN H A 30 PRO HGx 1.0 . 5.50 722 681 A 101 ALA H A 100 LYS HGx 1.0 . 5.40 723 682 A 101 ALA H A 100 LYS HGy 1.0 . 5.40 724 683 A 42 GLN HE2y A 53 LYS HGx 1.0 . 5.50 725 683 A 53 LYS HGy A 42 GLN HE2y 1.0 . 5.50 726 684 A 68 LEU HBy A 68 LEU HDx% 1.0 . 4.01 727 685 A 85 ILE HD1% A 68 LEU HDx% 1.0 . 3.91 728 686 A 68 LEU HBx A 68 LEU HDx% 1.0 . 4.09 729 687 A 98 LEU HDx% A 98 LEU HBx 1.0 . 3.99 730 688 A 98 LEU HDx% A 98 LEU HBy 1.0 . 3.99 731 689 A 25 LYS H A 25 LYS HGx 1.0 . 3.96 732 690 A 26 HIS H A 25 LYS HGx 1.0 . 4.29 733 691 A 26 HIS H A 25 LYS HGy 1.0 . 4.29 734 692 A 88 LYS HDy A 88 LYS HGx 1.0 . 2.97 735 692 A 88 LYS HGx A 88 LYS HDx 1.0 . 2.97 736 693 A 88 LYS HDx A 88 LYS HGy 1.0 . 2.97 737 693 A 88 LYS HDy A 88 LYS HGy 1.0 . 2.97 738 694 A 35 LEU HDx% A 64 LEU HDx% 1.0 . 4.77 739 695 A 35 LEU HBx A 35 LEU HDx% 1.0 . 3.81 740 696 A 27 LYS HA A 27 LYS HGx 1.0 . 4.15 741 697 A 27 LYS HA A 27 LYS HGy 1.0 . 4.15 742 698 A 27 LYS H A 27 LYS HGy 1.0 . 4.71 743 699 A 73 LYS HA A 73 LYS HGx 1.0 . 4.16 744 700 A 73 LYS HA A 73 LYS HGy 1.0 . 4.16 745 701 A 8 LYS HGx A 8 LYS HDx 1.0 . 2.63 746 701 A 8 LYS HDy A 8 LYS HGx 1.0 . 2.63 747 702 A 87 LYS HDy A 87 LYS HGx 1.0 . 2.85 748 702 A 87 LYS HGx A 87 LYS HDx 1.0 . 2.85 749 703 A 87 LYS HDx A 87 LYS HGy 1.0 . 2.85 750 703 A 87 LYS HDy A 87 LYS HGy 1.0 . 2.85 751 704 A 39 LYS HDy A 39 LYS HGy 1.0 . 3.02 752 704 A 39 LYS HDx A 39 LYS HGy 1.0 . 3.02 753 705 A 39 LYS H A 39 LYS HGx 1.0 . 4.65 754 706 A 55 LYS HEx A 55 LYS HGy 1.0 . 4.15 755 707 A 72 LYS H A 72 LYS HGx 1.0 . 4.14 756 707 A 72 LYS H A 72 LYS HGy 1.0 . 4.14 757 708 A 98 LEU HG A 99 LYS H 1.0 . 4.95 758 709 A 9 ILE HG2% A 13 LYS HGx 1.0 . 4.41 759 709 A 13 LYS HGy A 9 ILE HG2% 1.0 . 4.41 760 710 A 13 LYS HGy A 12 MET HBy 1.0 . 4.38 761 710 A 12 MET HBy A 13 LYS HGx 1.0 . 4.38 762 711 A 5 LYS H A 5 LYS HGx 1.0 . 4.24 763 712 A 82 PHE HE% A 85 ILE HG1x 1.0 . 4.72 764 713 A 82 PHE HE% A 85 ILE HG1y 1.0 . 4.72 765 714 A 81 ILE H A 81 ILE HG1x 1.0 . 4.42 766 715 A 81 ILE H A 81 ILE HG1y 1.0 . 4.42 767 716 A 35 LEU HDy% A 64 LEU HDx% 1.0 . 4.12 768 717 A 35 LEU HDy% A 35 LEU HBy 1.0 . 3.86 769 718 A 35 LEU HDy% A 35 LEU HBx 1.0 . 3.90 770 719 A 35 LEU HDy% A 36 PHE HA 1.0 . 4.76 771 720 A 64 LEU HDx% A 64 LEU HBx 1.0 . 3.98 772 721 A 64 LEU HDx% A 64 LEU HBy 1.0 . 3.98 773 722 A 60 GLY H A 64 LEU HDx% 1.0 . 5.18 774 723 A 38 ARG HA A 38 ARG HGx 1.0 . 4.21 775 724 A 38 ARG HA A 38 ARG HGy 1.0 . 4.21 776 725 A 38 ARG H A 38 ARG HGx 1.0 . 4.86 777 726 A 38 ARG H A 38 ARG HGy 1.0 . 4.86 778 727 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 3.63 779 728 A 94 LEU HBx A 94 LEU HDy% 1.0 . 4.10 780 729 A 94 LEU HBy A 94 LEU HDy% 1.0 . 3.48 781 730 A 95 ILE H A 94 LEU HDy% 1.0 . 4.75 782 731 A 58 ILE HG2% A 58 ILE HG1x 1.0 . 3.90 783 732 A 9 ILE HA A 9 ILE HG1y 1.0 . 4.25 784 733 A 75 ILE H A 76 PRO HGx 1.0 . 5.05 785 733 A 75 ILE H A 76 PRO HGy 1.0 . 5.05 786 734 A 75 ILE HG2% A 75 ILE HG1x 1.0 . 3.93 787 735 A 79 LYS HBx A 79 LYS HDy 1.0 . 4.07 788 736 A 86 LYS HBx A 86 LYS HDx 1.0 . 2.40 789 736 A 86 LYS HBy A 86 LYS HDx 1.0 . 2.40 790 736 A 86 LYS HDy A 86 LYS HBx 1.0 . 2.40 791 736 A 86 LYS HBy A 86 LYS HDy 1.0 . 2.40 792 737 A 79 LYS HBy A 79 LYS HDy 1.0 . 4.07 793 738 A 86 LYS HA A 86 LYS HDx 1.0 . 4.42 794 738 A 86 LYS HDy A 86 LYS HA 1.0 . 4.42 795 739 A 53 LYS HDy A 53 LYS HGx 1.0 . 2.60 796 739 A 53 LYS HGy A 53 LYS HDy 1.0 . 2.60 797 740 A 53 LYS HBy A 53 LYS HDy 1.0 . 2.70 798 741 A 53 LYS HBy A 53 LYS HDx 1.0 . 2.55 799 742 A 53 LYS HBx A 53 LYS HDx 1.0 . 2.87 800 743 A 53 LYS HDy A 53 LYS HA 1.0 . 4.70 801 744 A 53 LYS HDx A 53 LYS HA 1.0 . 4.52 802 745 A 54 ASN H A 53 LYS HDy 1.0 . 5.50 803 746 A 85 ILE HD1% A 13 LYS HDx 1.0 . 4.76 804 747 A 9 ILE HG2% A 13 LYS HDx 1.0 . 4.79 805 748 A 9 ILE HG2% A 13 LYS HDy 1.0 . 4.79 806 749 A 13 LYS HA A 13 LYS HDx 1.0 . 4.86 807 750 A 13 LYS HA A 13 LYS HDy 1.0 . 4.86 808 751 A 82 PHE HZ A 13 LYS HDx 1.0 . 4.76 809 752 A 82 PHE HE% A 13 LYS HDx 1.0 . 4.79 810 753 A 82 PHE HE% A 13 LYS HDy 1.0 . 4.79 811 754 A 11 ILE HG2% A 11 ILE HG1x 1.0 . 3.57 812 755 A 11 ILE HG2% A 11 ILE HG1y 1.0 . 3.39 813 756 A 11 ILE HG1y A 11 ILE HA 1.0 . 3.57 814 757 A 12 MET H A 11 ILE HG1x 1.0 . 5.46 815 758 A 12 MET H A 11 ILE HG1y 1.0 . 4.64 816 759 A 11 ILE H A 11 ILE HG1x 1.0 . 4.04 817 760 A 8 LYS HDy A 8 LYS HGy 1.0 . 2.63 818 760 A 8 LYS HDx A 8 LYS HGy 1.0 . 2.63 819 761 A 87 LYS HA A 87 LYS HDx 1.0 . 4.88 820 761 A 87 LYS HDy A 87 LYS HA 1.0 . 4.88 821 762 A 87 LYS H A 87 LYS HDx 1.0 . 5.50 822 762 A 87 LYS H A 87 LYS HDy 1.0 . 5.50 823 763 A 5 LYS H A 5 LYS HDx 1.0 . 4.62 824 763 A 5 LYS H A 5 LYS HDy 1.0 . 4.62 825 764 A 6 GLY H A 5 LYS HDx 1.0 . 5.27 826 764 A 6 GLY H A 5 LYS HDy 1.0 . 5.27 827 765 A 99 LYS HBx A 99 LYS HDx 1.0 . 3.54 828 766 A 99 LYS HBx A 99 LYS HDy 1.0 . 3.54 829 767 A 99 LYS HBy A 99 LYS HDy 1.0 . 3.54 830 768 A 39 LYS HGx A 39 LYS HDx 1.0 . 3.02 831 768 A 39 LYS HDy A 39 LYS HGx 1.0 . 3.02 832 769 A 39 LYS HA A 39 LYS HDx 1.0 . 4.26 833 769 A 39 LYS HDy A 39 LYS HA 1.0 . 4.26 834 770 A 61 GLU HBy A 61 GLU HGx 1.0 . 2.95 835 770 A 61 GLU HGx A 61 GLU HBx 1.0 . 2.95 836 771 A 7 LYS H A 7 LYS HDx 1.0 . 4.84 837 771 A 7 LYS H A 7 LYS HDy 1.0 . 4.84 838 772 A 100 LYS HDx A 3 VAL HGy% 1.0 . 4.58 839 773 A 100 LYS HA A 100 LYS HDx 1.0 . 4.81 840 774 A 100 LYS HA A 100 LYS HDy 1.0 . 4.81 841 775 A 74 TYR H A 73 LYS HDx 1.0 . 5.24 842 776 A 74 TYR H A 73 LYS HDy 1.0 . 5.24 843 777 A 9 ILE HD1% A 90 GLU HBx 1.0 . 4.61 844 778 A 9 ILE HD1% A 90 GLU HBy 1.0 . 4.61 845 779 A 70 ASN H A 69 GLU HBx 1.0 . 4.29 846 780 A 72 LYS H A 72 LYS HDx 1.0 . 4.64 847 780 A 72 LYS H A 72 LYS HDy 1.0 . 4.64 848 781 A 23 GLY H A 21 GLU HBx 1.0 . 5.02 849 781 A 21 GLU HBy A 23 GLY H 1.0 . 5.02 850 782 A 27 LYS HA A 27 LYS HDx 1.0 . 4.75 851 783 A 27 LYS HA A 27 LYS HDy 1.0 . 4.75 852 784 A 26 HIS HBx A 30 PRO HA 1.0 . 5.26 853 785 A 64 LEU HDx% A 95 ILE HG1x 1.0 . 4.89 854 786 A 64 LEU HDx% A 95 ILE HG1y 1.0 . 4.89 855 787 A 12 MET H A 12 MET HGx 1.0 . 4.30 856 788 A 12 MET H A 12 MET HGy 1.0 . 4.30 857 789 A 65 MET H A 65 MET HGx 1.0 . 4.81 858 790 A 79 LYS HBx A 79 LYS HDx 1.0 . 4.07 859 791 A 79 LYS HDx A 79 LYS HBy 1.0 . 4.07 860 792 A 8 LYS HBy A 8 LYS HDx 1.0 . 3.27 861 792 A 8 LYS HBx A 8 LYS HDx 1.0 . 3.27 862 792 A 8 LYS HDy A 8 LYS HBx 1.0 . 3.27 863 792 A 8 LYS HBy A 8 LYS HDy 1.0 . 3.27 864 793 A 8 LYS HBx A 8 LYS HEx 1.0 . 4.50 865 793 A 8 LYS HBy A 8 LYS HEx 1.0 . 4.50 866 793 A 8 LYS HEy A 8 LYS HBx 1.0 . 4.50 867 793 A 8 LYS HBy A 8 LYS HEy 1.0 . 4.50 868 794 A 99 LYS HDx A 99 LYS HBy 1.0 . 3.54 869 795 A 99 LYS HEy A 99 LYS HBy 1.0 . 4.80 870 795 A 99 LYS HBy A 99 LYS HEx 1.0 . 4.80 871 796 A 96 ALA HA A 99 LYS HBx 1.0 . 4.63 872 797 A 96 ALA HA A 99 LYS HBy 1.0 . 4.63 873 798 A 4 GLU H A 3 VAL HB 1.0 . 4.28 874 799 A 7 LYS HBx A 7 LYS HDx 1.0 . 2.71 875 799 A 7 LYS HBx A 7 LYS HDy 1.0 . 2.71 876 800 A 53 LYS HBy A 53 LYS HEx 1.0 . 4.68 877 800 A 53 LYS HBy A 53 LYS HEy 1.0 . 4.68 878 801 A 53 LYS HBx A 52 ASN HBy 1.0 . 4.56 879 802 A 54 ASN H A 53 LYS HBy 1.0 . 4.02 880 803 A 5 LYS HBx A 5 LYS HEx 1.0 . 5.05 881 803 A 5 LYS HBy A 5 LYS HEx 1.0 . 5.05 882 803 A 5 LYS HEy A 5 LYS HBx 1.0 . 5.05 883 803 A 5 LYS HBy A 5 LYS HEy 1.0 . 5.05 884 804 A 85 ILE HG2% A 86 LYS HBx 1.0 . 4.68 885 804 A 85 ILE HG2% A 86 LYS HBy 1.0 . 4.68 886 805 A 87 LYS H A 86 LYS HBx 1.0 . 3.80 887 805 A 87 LYS H A 86 LYS HBy 1.0 . 3.80 888 806 A 38 ARG HDy A 38 ARG HBx 1.0 . 4.29 889 806 A 38 ARG HBx A 38 ARG HDx 1.0 . 4.29 890 807 A 38 ARG HDy A 38 ARG HBy 1.0 . 4.29 891 807 A 38 ARG HBy A 38 ARG HDx 1.0 . 4.29 892 808 A 35 LEU HA A 38 ARG HBy 1.0 . 4.50 893 809 A 38 ARG H A 38 ARG HBy 1.0 . 3.69 894 810 A 100 LYS H A 100 LYS HBx 1.0 . 3.58 895 811 A 26 HIS H A 25 LYS HBx 1.0 . 4.07 896 812 A 26 HIS H A 25 LYS HBy 1.0 . 4.07 897 813 A 13 LYS HGy A 12 MET HBx 1.0 . 4.38 898 813 A 12 MET HBx A 13 LYS HGx 1.0 . 4.38 899 814 A 9 ILE HA A 12 MET HBx 1.0 . 4.49 900 815 A 42 GLN HA A 42 GLN HGx 1.0 . 4.10 901 816 A 42 GLN HA A 42 GLN HGy 1.0 . 4.10 902 817 A 42 GLN H A 42 GLN HGx 1.0 . 4.17 903 818 A 42 GLN H A 42 GLN HGy 1.0 . 4.17 904 819 A 73 LYS HBy A 73 LYS HEx 1.0 . 4.05 905 819 A 73 LYS HBx A 73 LYS HEx 1.0 . 4.05 906 819 A 73 LYS HEy A 73 LYS HBx 1.0 . 4.05 907 819 A 73 LYS HBy A 73 LYS HEy 1.0 . 4.05 908 820 A 39 LYS HBx A 42 GLN HGx 1.0 . 4.22 909 821 A 42 GLN HGx A 39 LYS HBy 1.0 . 4.22 910 822 A 39 LYS HBx A 42 GLN HGy 1.0 . 4.22 911 823 A 39 LYS HBy A 42 GLN HGy 1.0 . 4.22 912 824 A 13 LYS HBy A 82 PHE HE% 1.0 . 4.56 913 825 A 102 THR HA A 20 VAL HB 1.0 . 5.50 914 826 A 81 ILE H A 81 ILE HB 1.0 . 3.88 915 827 A 74 TYR HD% A 66 GLU HGx 1.0 . 4.96 916 828 A 67 TYR H A 66 GLU HGy 1.0 . 5.21 917 829 A 21 GLU HBx A 21 GLU HGx 1.0 . 2.94 918 829 A 21 GLU HBy A 21 GLU HGx 1.0 . 2.94 919 829 A 21 GLU HGy A 21 GLU HBx 1.0 . 2.94 920 829 A 21 GLU HBy A 21 GLU HGy 1.0 . 2.94 921 830 A 21 GLU HGy A 24 GLY HAy 1.0 . 4.43 922 830 A 24 GLY HAy A 21 GLU HGx 1.0 . 4.43 923 831 A 21 GLU HA A 21 GLU HGx 1.0 . 3.74 924 831 A 21 GLU HGy A 21 GLU HA 1.0 . 3.74 925 832 A 22 LYS H A 21 GLU HGx 1.0 . 4.52 926 832 A 21 GLU HGy A 22 LYS H 1.0 . 4.52 927 833 A 21 GLU H A 21 GLU HGx 1.0 . 4.39 928 833 A 21 GLU HGy A 21 GLU H 1.0 . 4.39 929 834 A 100 LYS HA A 104 GLU HGx 1.0 . 4.47 930 834 A 100 LYS HA A 104 GLU HGy 1.0 . 4.47 931 835 A 103 ASN H A 104 GLU HGx 1.0 . 4.86 932 835 A 103 ASN H A 104 GLU HGy 1.0 . 4.86 933 836 A 70 ASN HBx A 69 GLU HGx 1.0 . 4.69 934 836 A 69 GLU HGy A 70 ASN HBx 1.0 . 4.69 935 837 A 69 GLU HGx A 70 ASN HBy 1.0 . 4.69 936 837 A 69 GLU HGy A 70 ASN HBy 1.0 . 4.69 937 838 A 69 GLU H A 69 GLU HGx 1.0 . 4.05 938 838 A 69 GLU HGy A 69 GLU H 1.0 . 4.05 939 839 A 89 GLU HA A 89 GLU HGx 1.0 . 3.74 940 840 A 90 GLU H A 90 GLU HGx 1.0 . 3.77 941 840 A 90 GLU H A 90 GLU HGy 1.0 . 3.77 942 841 A 36 PHE H A 36 PHE HBx 1.0 . 3.81 943 842 A 6 GLY HAy A 97 TYR HBx 1.0 . 5.10 944 843 A 6 GLY HAx A 97 TYR HBx 1.0 . 4.43 945 844 A 6 GLY HAx A 97 TYR HBy 1.0 . 4.43 946 845 A 97 TYR H A 97 TYR HBy 1.0 . 3.96 947 846 A 61 GLU HBx A 61 GLU HGy 1.0 . 2.95 948 846 A 61 GLU HBy A 61 GLU HGy 1.0 . 2.95 949 847 A 36 PHE HE% A 61 GLU HGy 1.0 . 4.61 950 848 A 9 ILE HB A 6 GLY HAx 1.0 . 4.50 951 849 A 9 ILE HB A 10 PHE H 1.0 . 3.51 952 850 A 10 PHE HA A 14 CYS HBy 1.0 . 4.54 953 851 A 14 CYS HBy A 15 SER H 1.0 . 4.51 954 852 A 73 LYS HBy A 70 ASN HBx 1.0 . 4.39 955 852 A 70 ASN HBx A 73 LYS HBx 1.0 . 4.39 956 853 A 73 LYS HBy A 70 ASN HBy 1.0 . 4.39 957 853 A 70 ASN HBy A 73 LYS HBx 1.0 . 4.39 958 854 A 12 MET H A 11 ILE HB 1.0 . 3.70 959 855 A 75 ILE HB A 78 THR HB 1.0 . 4.24 960 856 A 75 ILE HB A 78 THR H 1.0 . 4.73 961 857 A 55 LYS H A 54 ASN HBy 1.0 . 4.79 962 858 A 5 LYS HBx A 93 ASP HBx 1.0 . 3.98 963 858 A 5 LYS HBy A 93 ASP HBx 1.0 . 3.98 964 858 A 93 ASP HBy A 5 LYS HBx 1.0 . 3.98 965 858 A 5 LYS HBy A 93 ASP HBy 1.0 . 3.98 966 859 A 6 GLY HAx A 93 ASP HBx 1.0 . 3.93 967 859 A 93 ASP HBy A 6 GLY HAx 1.0 . 3.93 968 860 A 75 ILE HG2% A 52 ASN HBy 1.0 . 4.65 969 861 A 75 ILE HG2% A 52 ASN HBx 1.0 . 4.42 970 862 A 49 THR H A 52 ASN HBy 1.0 . 4.66 971 863 A 49 THR H A 52 ASN HBx 1.0 . 4.73 972 864 A 59 TRP HZ3 A 67 TYR HBx 1.0 . 4.45 973 865 A 68 LEU H A 67 TYR HBx 1.0 . 4.41 974 866 A 68 LEU H A 67 TYR HBy 1.0 . 4.41 975 867 A 71 PRO HA A 74 TYR HBx 1.0 . 4.49 976 868 A 57 ILE HB A 63 THR HG2% 1.0 . 3.92 977 869 A 68 LEU HBy A 91 ARG HA 1.0 . 4.97 978 870 A 48 TYR HA A 79 LYS HEx 1.0 . 4.72 979 871 A 48 TYR HA A 79 LYS HEy 1.0 . 4.72 980 872 A 48 TYR HBx A 53 LYS HGx 1.0 . 4.51 981 872 A 53 LYS HGy A 48 TYR HBx 1.0 . 4.51 982 873 A 53 LYS H A 48 TYR HBy 1.0 . 4.75 983 874 A 103 ASN H A 103 ASN HBx 1.0 . 3.89 984 875 A 103 ASN H A 103 ASN HBy 1.0 . 3.89 985 876 A 104 GLU H A 103 ASN HBx 1.0 . 5.00 986 877 A 104 GLU H A 103 ASN HBy 1.0 . 5.00 987 878 A 102 THR H A 103 ASN HBx 1.0 . 4.76 988 879 A 102 THR H A 103 ASN HBy 1.0 . 4.76 989 880 A 58 ILE HD1% A 39 LYS HEx 1.0 . 4.30 990 880 A 58 ILE HD1% A 39 LYS HEy 1.0 . 4.30 991 881 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.58 992 881 A 39 LYS HGx A 39 LYS HEx 1.0 . 3.58 993 882 A 39 LYS HEx A 39 LYS HGy 1.0 . 3.58 994 882 A 39 LYS HEy A 39 LYS HGy 1.0 . 3.58 995 883 A 39 LYS HA A 39 LYS HEx 1.0 . 4.02 996 883 A 39 LYS HA A 39 LYS HEy 1.0 . 4.02 997 884 A 55 LYS HGx A 55 LYS HEx 1.0 . 4.15 998 885 A 55 LYS HGx A 55 LYS HEy 1.0 . 4.15 999 886 A 55 LYS HEy A 55 LYS HGy 1.0 . 4.15 1000 887 A 99 LYS HEy A 99 LYS HGx 1.0 . 3.90 1001 887 A 99 LYS HGx A 99 LYS HEx 1.0 . 3.90 1002 888 A 99 LYS HEy A 99 LYS HGy 1.0 . 3.90 1003 888 A 99 LYS HEx A 99 LYS HGy 1.0 . 3.90 1004 889 A 99 LYS HEy A 99 LYS HBx 1.0 . 4.80 1005 889 A 99 LYS HBx A 99 LYS HEx 1.0 . 4.80 1006 890 A 5 LYS HEy A 5 LYS HGx 1.0 . 3.44 1007 890 A 5 LYS HGx A 5 LYS HEx 1.0 . 3.44 1008 891 A 5 LYS HEy A 5 LYS HGy 1.0 . 3.44 1009 891 A 5 LYS HEx A 5 LYS HGy 1.0 . 3.44 1010 892 A 88 LYS HDy A 88 LYS HEx 1.0 . 2.87 1011 892 A 88 LYS HDx A 88 LYS HEx 1.0 . 2.87 1012 892 A 88 LYS HEy A 88 LYS HDx 1.0 . 2.87 1013 892 A 88 LYS HDy A 88 LYS HEy 1.0 . 2.87 1014 893 A 5 LYS HDx A 5 LYS HEx 1.0 . 2.87 1015 893 A 5 LYS HDy A 5 LYS HEx 1.0 . 2.87 1016 893 A 5 LYS HEy A 5 LYS HDx 1.0 . 2.87 1017 893 A 5 LYS HDy A 5 LYS HEy 1.0 . 2.87 1018 894 A 87 LYS HGx A 87 LYS HEx 1.0 . 3.52 1019 894 A 87 LYS HEy A 87 LYS HGx 1.0 . 3.52 1020 895 A 87 LYS HEy A 87 LYS HGy 1.0 . 3.52 1021 895 A 87 LYS HEx A 87 LYS HGy 1.0 . 3.52 1022 896 A 87 LYS HDy A 87 LYS HEx 1.0 . 2.89 1023 896 A 87 LYS HDx A 87 LYS HEx 1.0 . 2.89 1024 896 A 87 LYS HEy A 87 LYS HDx 1.0 . 2.89 1025 896 A 87 LYS HDy A 87 LYS HEy 1.0 . 2.89 1026 897 A 22 LYS HDx A 22 LYS HEx 1.0 . 2.86 1027 897 A 22 LYS HDy A 22 LYS HEx 1.0 . 2.86 1028 897 A 22 LYS HEy A 22 LYS HDx 1.0 . 2.86 1029 897 A 22 LYS HDy A 22 LYS HEy 1.0 . 2.86 1030 898 A 100 LYS HEy A 100 LYS HGx 1.0 . 3.57 1031 898 A 100 LYS HGx A 100 LYS HEx 1.0 . 3.57 1032 899 A 100 LYS HEx A 100 LYS HGy 1.0 . 3.57 1033 899 A 100 LYS HEy A 100 LYS HGy 1.0 . 3.57 1034 900 A 13 LYS HBy A 13 LYS HEx 1.0 . 4.47 1035 900 A 13 LYS HBy A 13 LYS HEy 1.0 . 4.47 1036 901 A 13 LYS HEy A 13 LYS HGx 1.0 . 3.05 1037 901 A 13 LYS HEx A 13 LYS HGx 1.0 . 3.05 1038 901 A 13 LYS HGy A 13 LYS HEx 1.0 . 3.05 1039 901 A 13 LYS HGy A 13 LYS HEy 1.0 . 3.05 1040 902 A 13 LYS HBx A 13 LYS HEx 1.0 . 3.83 1041 902 A 13 LYS HBx A 13 LYS HEy 1.0 . 3.83 1042 903 A 53 LYS HEx A 53 LYS HGx 1.0 . 3.28 1043 903 A 53 LYS HEy A 53 LYS HGx 1.0 . 3.28 1044 903 A 53 LYS HGy A 53 LYS HEx 1.0 . 3.28 1045 903 A 53 LYS HGy A 53 LYS HEy 1.0 . 3.28 1046 904 A 8 LYS HDy A 8 LYS HEx 1.0 . 2.95 1047 904 A 8 LYS HDx A 8 LYS HEx 1.0 . 2.95 1048 904 A 8 LYS HEy A 8 LYS HDx 1.0 . 2.95 1049 904 A 8 LYS HDy A 8 LYS HEy 1.0 . 2.95 1050 905 A 8 LYS H A 8 LYS HEx 1.0 . 5.43 1051 905 A 8 LYS H A 8 LYS HEy 1.0 . 5.43 1052 906 A 86 LYS HGx A 86 LYS HEx 1.0 . 3.25 1053 906 A 86 LYS HEy A 86 LYS HGx 1.0 . 3.25 1054 907 A 86 LYS HEy A 86 LYS HGy 1.0 . 3.25 1055 907 A 86 LYS HEx A 86 LYS HGy 1.0 . 3.25 1056 908 A 86 LYS HDy A 86 LYS HEx 1.0 . 2.91 1057 908 A 86 LYS HDx A 86 LYS HEx 1.0 . 2.91 1058 908 A 86 LYS HEy A 86 LYS HDx 1.0 . 2.91 1059 908 A 86 LYS HDy A 86 LYS HEy 1.0 . 2.91 1060 909 A 7 LYS HGx A 7 LYS HEx 1.0 . 3.61 1061 909 A 7 LYS HEy A 7 LYS HGx 1.0 . 3.61 1062 910 A 7 LYS HEy A 7 LYS HGy 1.0 . 3.61 1063 910 A 7 LYS HEx A 7 LYS HGy 1.0 . 3.61 1064 911 A 7 LYS HBx A 7 LYS HEx 1.0 . 4.10 1065 911 A 7 LYS HBx A 7 LYS HEy 1.0 . 4.10 1066 912 A 7 LYS HDy A 7 LYS HEx 1.0 . 2.99 1067 912 A 7 LYS HDx A 7 LYS HEx 1.0 . 2.99 1068 912 A 7 LYS HEy A 7 LYS HDx 1.0 . 2.99 1069 912 A 7 LYS HDy A 7 LYS HEy 1.0 . 2.99 1070 913 A 25 LYS HGx A 25 LYS HEx 1.0 . 4.25 1071 913 A 25 LYS HEy A 25 LYS HGx 1.0 . 4.25 1072 914 A 25 LYS HEy A 25 LYS HGy 1.0 . 4.25 1073 914 A 25 LYS HEx A 25 LYS HGy 1.0 . 4.25 1074 915 A 25 LYS HEy A 25 LYS HBx 1.0 . 4.77 1075 915 A 25 LYS HBx A 25 LYS HEx 1.0 . 4.77 1076 916 A 25 LYS HEy A 25 LYS HBy 1.0 . 4.77 1077 916 A 25 LYS HBy A 25 LYS HEx 1.0 . 4.77 1078 917 A 73 LYS HGx A 73 LYS HEx 1.0 . 3.61 1079 917 A 73 LYS HEy A 73 LYS HGx 1.0 . 3.61 1080 918 A 73 LYS HEy A 73 LYS HGy 1.0 . 3.61 1081 918 A 73 LYS HEx A 73 LYS HGy 1.0 . 3.61 1082 919 A 72 LYS HEy A 72 LYS HGx 1.0 . 3.68 1083 919 A 72 LYS HGy A 72 LYS HEx 1.0 . 3.68 1084 919 A 72 LYS HGy A 72 LYS HEy 1.0 . 3.68 1085 919 A 72 LYS HEx A 72 LYS HGx 1.0 . 3.68 1086 920 A 27 LYS HBx A 27 LYS HEx 1.0 . 4.12 1087 921 A 27 LYS HBx A 27 LYS HEy 1.0 . 4.12 1088 922 A 27 LYS HEx A 27 LYS HBy 1.0 . 4.12 1089 923 A 27 LYS HBy A 27 LYS HEy 1.0 . 4.12 1090 924 A 5 LYS HBy A 2 ASP HBx 1.0 . 3.88 1091 924 A 2 ASP HBx A 5 LYS HBx 1.0 . 3.88 1092 925 A 5 LYS HBy A 2 ASP HBy 1.0 . 3.88 1093 925 A 2 ASP HBy A 5 LYS HBx 1.0 . 3.88 1094 926 A 5 LYS H A 2 ASP HBx 1.0 . 4.62 1095 927 A 5 LYS H A 2 ASP HBy 1.0 . 4.62 1096 928 A 96 ALA HB% A 1 GLY HAy 1.0 . 3.97 1097 929 A 96 ALA HB% A 1 GLY HAx 1.0 . 3.97 1098 930 A 92 ALA HB% A 1 GLY HAx 1.0 . 5.12 1099 931 A 93 ASP HA A 1 GLY HAy 1.0 . 4.52 1100 932 A 93 ASP HA A 1 GLY HAx 1.0 . 4.52 1101 933 A 68 LEU HBy A 91 ARG HDx 1.0 . 4.79 1102 934 A 68 LEU HBy A 91 ARG HDy 1.0 . 4.79 1103 935 A 68 LEU HBx A 91 ARG HDx 1.0 . 4.35 1104 936 A 68 LEU HBx A 91 ARG HDy 1.0 . 4.35 1105 937 A 65 MET HE% A 91 ARG HDy 1.0 . 5.07 1106 938 A 102 THR HB A 35 LEU HBx 1.0 . 4.98 1107 939 A 24 GLY HAy A 21 GLU HBx 1.0 . 5.50 1108 939 A 21 GLU HBy A 24 GLY HAy 1.0 . 5.50 1109 940 A 21 GLU HBy A 24 GLY HAx 1.0 . 5.50 1110 940 A 21 GLU HBx A 24 GLY HAx 1.0 . 5.50 1111 941 A 21 GLU HGx A 24 GLY HAx 1.0 . 4.43 1112 941 A 21 GLU HGy A 24 GLY HAx 1.0 . 4.43 1113 942 A 25 LYS H A 24 GLY HAy 1.0 . 3.63 1114 943 A 38 ARG HDy A 42 GLN HBx 1.0 . 4.52 1115 943 A 42 GLN HBx A 38 ARG HDx 1.0 . 4.52 1116 944 A 38 ARG HDy A 42 GLN HBy 1.0 . 4.52 1117 944 A 38 ARG HDx A 42 GLN HBy 1.0 . 4.52 1118 945 A 38 ARG HH2% A 38 ARG HDx 1.0 . 4.49 1119 945 A 38 ARG HDy A 38 ARG HH2% 1.0 . 4.49 1120 946 A 53 LYS HBy A 41 GLY HAx 1.0 . 5.30 1121 947 A 40 THR HB A 41 GLY HAx 1.0 . 4.75 1122 948 A 48 TYR HDx A 41 GLY HAy 1.0 . 5.22 1123 949 A 43 ALA H A 41 GLY HAy 1.0 . 4.68 1124 950 A 53 LYS H A 41 GLY HAx 1.0 . 5.10 1125 951 A 9 ILE HD1% A 6 GLY HAx 1.0 . 4.67 1126 952 A 94 LEU HBx A 6 GLY HAx 1.0 . 4.75 1127 953 A 9 ILE HB A 6 GLY HAy 1.0 . 4.13 1128 954 A 6 GLY HAx A 5 LYS HBx 1.0 . 4.59 1129 954 A 5 LYS HBy A 6 GLY HAx 1.0 . 4.59 1130 955 A 6 GLY HAy A 93 ASP HBx 1.0 . 4.32 1131 955 A 93 ASP HBy A 6 GLY HAy 1.0 . 4.32 1132 956 A 6 GLY HAy A 97 TYR HBy 1.0 . 5.10 1133 957 A 3 VAL HA A 6 GLY HAx 1.0 . 4.49 1134 958 A 97 TYR H A 6 GLY HAy 1.0 . 5.50 1135 959 A 57 ILE HG2% A 56 GLY HAy 1.0 . 5.11 1136 960 A 57 ILE HG2% A 56 GLY HAx 1.0 . 5.11 1137 961 A 71 PRO HDy A 70 ASN HA 1.0 . 3.48 1138 962 A 71 PRO HDx A 70 ASN HA 1.0 . 3.80 1139 963 A 71 PRO HDy A 72 LYS H 1.0 . 4.53 1140 964 A 75 ILE HG2% A 76 PRO HDx 1.0 . 4.77 1141 965 A 75 ILE HA A 76 PRO HDx 1.0 . 3.62 1142 966 A 75 ILE HA A 76 PRO HDy 1.0 . 3.62 1143 967 A 43 ALA HA A 44 PRO HDx 1.0 . 3.12 1144 968 A 43 ALA HA A 44 PRO HDy 1.0 . 3.12 1145 969 A 101 ALA HA A 104 GLU HGx 1.0 . 3.90 1146 969 A 104 GLU HGy A 101 ALA HA 1.0 . 3.90 1147 970 A 97 TYR HDx A 101 ALA HA 1.0 . 4.65 1148 971 A 103 ASN H A 101 ALA HA 1.0 . 4.93 1149 972 A 104 GLU H A 101 ALA HA 1.0 . 4.39 1150 973 A 95 ILE HG2% A 96 ALA HA 1.0 . 4.20 1151 974 A 100 LYS H A 96 ALA HA 1.0 . 4.77 1152 975 A 99 LYS H A 96 ALA HA 1.0 . 3.99 1153 976 A 53 LYS HBy A 50 ALA HA 1.0 . 3.42 1154 977 A 53 LYS HBx A 50 ALA HA 1.0 . 3.69 1155 978 A 54 ASN H A 50 ALA HA 1.0 . 4.28 1156 979 A 53 LYS H A 50 ALA HA 1.0 . 3.72 1157 980 A 55 LYS H A 51 ALA HA 1.0 . 5.20 1158 981 A 54 ASN H A 51 ALA HA 1.0 . 4.29 1159 982 A 92 ALA HA A 95 ILE HG2% 1.0 . 4.56 1160 983 A 95 ILE HB A 92 ALA HA 1.0 . 3.41 1161 984 A 65 MET HE% A 92 ALA HA 1.0 . 4.18 1162 985 A 96 ALA H A 92 ALA HA 1.0 . 4.51 1163 986 A 68 LEU HA A 68 LEU HDx% 1.0 . 4.56 1164 987 A 68 LEU HA A 68 LEU HG 1.0 . 4.06 1165 988 A 68 LEU HA A 71 PRO HGy 1.0 . 4.01 1166 989 A 68 LEU HA A 71 PRO HDy 1.0 . 4.43 1167 990 A 68 LEU HA A 71 PRO HDx 1.0 . 5.14 1168 991 A 48 TYR HBx A 47 SER HA 1.0 . 5.12 1169 992 A 48 TYR H A 47 SER HA 1.0 . 2.93 1170 993 A 19 THR H A 31 ASN HA 1.0 . 3.83 1171 994 A 31 ASN HA A 30 PRO HA 1.0 . 4.93 1172 995 A 31 ASN HD2y A 31 ASN HA 1.0 . 4.45 1173 996 A 31 ASN HD2x A 31 ASN HA 1.0 . 4.45 1174 997 A 32 LEU H A 31 ASN HA 1.0 . 3.16 1175 998 A 26 HIS H A 25 LYS HA 1.0 . 3.04 1176 999 A 13 LYS HA A 13 LYS HGx 1.0 . 3.41 1177 999 A 13 LYS HGy A 13 LYS HA 1.0 . 3.41 1178 1000 A 87 LYS HA A 87 LYS HGx 1.0 . 3.68 1179 1001 A 87 LYS HA A 87 LYS HGy 1.0 . 3.68 1180 1002 A 46 TYR HA A 46 TYR HDy 1.0 . 4.89 1181 1003 A 62 ASP HA A 65 MET HBx 1.0 . 4.25 1182 1004 A 62 ASP HA A 65 MET HBy 1.0 . 4.25 1183 1005 A 65 MET H A 62 ASP HA 1.0 . 4.21 1184 1006 A 57 ILE HA A 57 ILE HD1% 1.0 . 5.09 1185 1007 A 98 LEU HA A 98 LEU HDx% 1.0 . 4.59 1186 1008 A 98 LEU HG A 98 LEU HA 1.0 . 4.07 1187 1009 A 98 LEU HA A 20 VAL HB 1.0 . 4.89 1188 1010 A 98 LEU HA A 99 LYS HA 1.0 . 5.05 1189 1011 A 100 LYS H A 98 LEU HA 1.0 . 5.03 1190 1012 A 102 THR H A 98 LEU HA 1.0 . 4.30 1191 1013 A 17 CYS HA A 27 LYS HBx 1.0 . 4.73 1192 1014 A 17 CYS HA A 27 LYS HBy 1.0 . 4.73 1193 1015 A 17 CYS HA A 28 THR HB 1.0 . 3.67 1194 1016 A 17 CYS HA A 16 GLN HA 1.0 . 4.61 1195 1017 A 29 GLY H A 17 CYS HA 1.0 . 4.17 1196 1018 A 94 LEU HA A 94 LEU HDy% 1.0 . 4.15 1197 1019 A 94 LEU HA A 94 LEU HDx% 1.0 . 4.15 1198 1020 A 94 LEU HG A 94 LEU HA 1.0 . 3.70 1199 1021 A 6 GLY HAy A 94 LEU HA 1.0 . 3.41 1200 1022 A 100 LYS HA A 100 LYS HGx 1.0 . 3.37 1201 1023 A 100 LYS HA A 100 LYS HGy 1.0 . 3.37 1202 1024 A 68 LEU HBx A 65 MET HA 1.0 . 4.25 1203 1025 A 35 LEU HDy% A 35 LEU HA 1.0 . 4.60 1204 1026 A 35 LEU HDx% A 35 LEU HA 1.0 . 3.23 1205 1027 A 35 LEU HG A 35 LEU HA 1.0 . 3.88 1206 1028 A 35 LEU HA A 38 ARG HBx 1.0 . 4.50 1207 1029 A 35 LEU HA A 38 ARG HDx 1.0 . 5.30 1208 1029 A 38 ARG HDy A 35 LEU HA 1.0 . 5.30 1209 1030 A 35 LEU HA A 38 ARG HE 1.0 . 4.98 1210 1031 A 38 ARG H A 35 LEU HA 1.0 . 5.14 1211 1032 A 96 ALA H A 93 ASP HA 1.0 . 4.02 1212 1033 A 95 ILE H A 93 ASP HA 1.0 . 5.37 1213 1034 A 93 ASP HA A 2 ASP H 1.0 . 4.50 1214 1035 A 48 TYR HA A 46 TYR HDy 1.0 . 5.50 1215 1036 A 48 TYR HDx A 48 TYR HA 1.0 . 4.17 1216 1037 A 49 THR H A 48 TYR HA 1.0 . 2.94 1217 1038 A 64 LEU HDx% A 64 LEU HA 1.0 . 4.14 1218 1039 A 64 LEU HG A 64 LEU HA 1.0 . 3.84 1219 1040 A 64 LEU HA A 67 TYR HBx 1.0 . 3.76 1220 1041 A 64 LEU HA A 67 TYR HBy 1.0 . 3.76 1221 1042 A 59 TRP HZ3 A 64 LEU HA 1.0 . 3.78 1222 1043 A 68 LEU H A 64 LEU HA 1.0 . 4.09 1223 1044 A 67 TYR H A 64 LEU HA 1.0 . 4.01 1224 1045 A 90 GLU HA A 90 GLU HGx 1.0 . 3.18 1225 1045 A 90 GLU HGy A 90 GLU HA 1.0 . 3.18 1226 1046 A 90 GLU HA A 93 ASP HBx 1.0 . 3.44 1227 1046 A 93 ASP HBy A 90 GLU HA 1.0 . 3.44 1228 1047 A 93 ASP H A 90 GLU HA 1.0 . 4.12 1229 1048 A 22 LYS HA A 22 LYS HGx 1.0 . 3.98 1230 1049 A 22 LYS HA A 22 LYS HGy 1.0 . 3.98 1231 1050 A 22 LYS HA A 22 LYS HDx 1.0 . 4.52 1232 1050 A 22 LYS HDy A 22 LYS HA 1.0 . 4.52 1233 1051 A 24 GLY H A 22 LYS HA 1.0 . 4.40 1234 1052 A 55 LYS HA A 55 LYS HBx 1.0 . 2.94 1235 1052 A 55 LYS HBy A 55 LYS HA 1.0 . 2.94 1236 1053 A 66 GLU HA A 66 GLU HGx 1.0 . 3.72 1237 1054 A 66 GLU HA A 66 GLU HGy 1.0 . 3.72 1238 1055 A 11 ILE HG2% A 12 MET HA 1.0 . 3.82 1239 1056 A 12 MET HA A 12 MET HGx 1.0 . 3.89 1240 1057 A 12 MET HA A 12 MET HGy 1.0 . 3.89 1241 1058 A 86 LYS HA A 86 LYS HGx 1.0 . 3.95 1242 1059 A 86 LYS HA A 86 LYS HGy 1.0 . 3.95 1243 1060 A 86 LYS HA A 86 LYS HBx 1.0 . 2.98 1244 1060 A 86 LYS HBy A 86 LYS HA 1.0 . 2.98 1245 1061 A 69 GLU HA A 69 GLU HGx 1.0 . 3.12 1246 1061 A 69 GLU HGy A 69 GLU HA 1.0 . 3.12 1247 1062 A 91 ARG HE A 69 GLU HA 1.0 . 4.75 1248 1063 A 58 ILE HD1% A 58 ILE HA 1.0 . 3.44 1249 1064 A 39 LYS HA A 58 ILE HA 1.0 . 3.05 1250 1065 A 40 THR H A 58 ILE HA 1.0 . 4.82 1251 1066 A 7 LYS HBx A 4 GLU HA 1.0 . 3.92 1252 1067 A 7 LYS HBy A 4 GLU HA 1.0 . 3.56 1253 1068 A 4 GLU HA A 4 GLU HGx 1.0 . 3.75 1254 1069 A 4 GLU HA A 4 GLU HGy 1.0 . 3.75 1255 1070 A 8 LYS H A 4 GLU HA 1.0 . 5.00 1256 1071 A 99 LYS HA A 99 LYS HGx 1.0 . 3.90 1257 1072 A 99 LYS HA A 99 LYS HGy 1.0 . 3.90 1258 1073 A 102 THR HG1 A 99 LYS HA 1.0 . 4.06 1259 1074 A 36 PHE HZ A 99 LYS HA 1.0 . 4.32 1260 1075 A 102 THR H A 99 LYS HA 1.0 . 4.29 1261 1076 A 72 LYS HA A 72 LYS HGx 1.0 . 3.73 1262 1076 A 72 LYS HA A 72 LYS HGy 1.0 . 3.73 1263 1077 A 72 LYS HA A 72 LYS HDx 1.0 . 4.24 1264 1077 A 72 LYS HA A 72 LYS HDy 1.0 . 4.24 1265 1078 A 72 LYS HA A 72 LYS HEx 1.0 . 3.92 1266 1078 A 72 LYS HA A 72 LYS HEy 1.0 . 3.92 1267 1079 A 72 LYS HA A 74 TYR H 1.0 . 5.09 1268 1080 A 7 LYS HA A 7 LYS HGx 1.0 . 3.93 1269 1081 A 7 LYS HA A 7 LYS HGy 1.0 . 3.93 1270 1082 A 7 LYS HA A 7 LYS HDx 1.0 . 3.68 1271 1082 A 7 LYS HDy A 7 LYS HA 1.0 . 3.68 1272 1083 A 7 LYS HA A 10 PHE HBx 1.0 . 4.02 1273 1084 A 7 LYS HA A 10 PHE HBy 1.0 . 4.02 1274 1085 A 9 ILE H A 7 LYS HA 1.0 . 4.95 1275 1086 A 10 PHE H A 7 LYS HA 1.0 . 4.20 1276 1087 A 11 ILE H A 7 LYS HA 1.0 . 5.15 1277 1088 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.80 1278 1089 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.80 1279 1090 A 53 LYS HA A 41 GLY HAy 1.0 . 3.93 1280 1091 A 53 LYS HA A 53 LYS HGx 1.0 . 3.81 1281 1091 A 53 LYS HGy A 53 LYS HA 1.0 . 3.81 1282 1092 A 53 LYS HA A 41 GLY HAx 1.0 . 3.20 1283 1093 A 52 ASN HD2y A 53 LYS HA 1.0 . 5.17 1284 1094 A 52 ASN HD2x A 53 LYS HA 1.0 . 5.17 1285 1095 A 41 GLY H A 53 LYS HA 1.0 . 4.98 1286 1096 A 5 LYS HA A 5 LYS HGx 1.0 . 3.80 1287 1097 A 5 LYS HA A 5 LYS HGy 1.0 . 3.80 1288 1098 A 5 LYS HA A 5 LYS HDx 1.0 . 3.02 1289 1098 A 5 LYS HDy A 5 LYS HA 1.0 . 3.02 1290 1099 A 5 LYS HA A 5 LYS HBx 1.0 . 2.86 1291 1099 A 5 LYS HBy A 5 LYS HA 1.0 . 2.86 1292 1100 A 5 LYS HA A 5 LYS HEx 1.0 . 4.28 1293 1100 A 5 LYS HEy A 5 LYS HA 1.0 . 4.28 1294 1101 A 8 LYS HA A 8 LYS HGx 1.0 . 3.74 1295 1102 A 8 LYS HA A 8 LYS HGy 1.0 . 3.74 1296 1103 A 8 LYS HA A 8 LYS HDx 1.0 . 3.09 1297 1103 A 8 LYS HA A 8 LYS HDy 1.0 . 3.09 1298 1104 A 8 LYS HA A 8 LYS HBx 1.0 . 2.89 1299 1104 A 8 LYS HBy A 8 LYS HA 1.0 . 2.89 1300 1105 A 8 LYS HA A 11 ILE HB 1.0 . 3.70 1301 1106 A 8 LYS HA A 11 ILE HG1y 1.0 . 4.24 1302 1107 A 8 LYS HA A 8 LYS HEx 1.0 . 4.45 1303 1107 A 8 LYS HA A 8 LYS HEy 1.0 . 4.45 1304 1108 A 8 LYS HA A 11 ILE H 1.0 . 3.89 1305 1109 A 89 GLU HA A 89 GLU HBx 1.0 . 2.94 1306 1109 A 89 GLU HBy A 89 GLU HA 1.0 . 2.94 1307 1110 A 89 GLU HA A 89 GLU HGy 1.0 . 3.74 1308 1111 A 92 ALA H A 89 GLU HA 1.0 . 3.73 1309 1112 A 35 LEU HG A 36 PHE HA 1.0 . 4.83 1310 1113 A 35 LEU HBy A 36 PHE HA 1.0 . 4.80 1311 1114 A 36 PHE HA A 37 GLY H 1.0 . 2.99 1312 1115 A 30 PRO HA A 46 TYR HBx 1.0 . 5.18 1313 1116 A 30 PRO HA A 46 TYR HBy 1.0 . 5.18 1314 1117 A 31 ASN H A 30 PRO HA 1.0 . 3.01 1315 1118 A 26 HIS HBy A 30 PRO HA 1.0 . 4.22 1316 1119 A 26 HIS HA A 30 PRO HA 1.0 . 4.10 1317 1120 A 30 PRO HA A 46 TYR HDy 1.0 . 4.33 1318 1121 A 88 LYS HA A 88 LYS HEx 1.0 . 5.04 1319 1121 A 88 LYS HA A 88 LYS HEy 1.0 . 5.04 1320 1122 A 88 LYS HA A 91 ARG HE 1.0 . 4.70 1321 1123 A 91 ARG H A 88 LYS HA 1.0 . 4.21 1322 1124 A 92 ALA H A 88 LYS HA 1.0 . 4.94 1323 1125 A 70 ASN H A 67 TYR HA 1.0 . 4.38 1324 1126 A 69 GLU H A 67 TYR HA 1.0 . 4.81 1325 1127 A 74 TYR HD% A 67 TYR HA 1.0 . 4.16 1326 1128 A 19 THR HA A 20 VAL HGy% 1.0 . 4.24 1327 1129 A 19 THR HA A 20 VAL HA 1.0 . 5.50 1328 1130 A 19 THR HA A 10 PHE HZ 1.0 . 4.77 1329 1131 A 19 THR HA A 21 GLU H 1.0 . 4.85 1330 1132 A 81 ILE HA A 82 PHE HA 1.0 . 4.93 1331 1133 A 85 ILE HD1% A 91 ARG HA 1.0 . 3.95 1332 1134 A 85 ILE HG2% A 91 ARG HA 1.0 . 4.31 1333 1135 A 94 LEU HBx A 91 ARG HA 1.0 . 4.27 1334 1136 A 94 LEU HBy A 91 ARG HA 1.0 . 3.59 1335 1137 A 94 LEU H A 91 ARG HA 1.0 . 4.38 1336 1138 A 40 THR HG2% A 40 THR HA 1.0 . 3.30 1337 1139 A 41 GLY H A 40 THR HA 1.0 . 2.98 1338 1140 A 59 TRP HE1 A 40 THR HA 1.0 . 3.12 1339 1141 A 102 THR HA A 33 HIS HA 1.0 . 4.20 1340 1142 A 102 THR HB A 33 HIS HA 1.0 . 3.75 1341 1143 A 35 LEU H A 33 HIS HA 1.0 . 4.27 1342 1144 A 97 TYR HA A 3 VAL HGx% 1.0 . 4.37 1343 1145 A 96 ALA HB% A 97 TYR HA 1.0 . 3.94 1344 1146 A 97 TYR HA A 100 LYS HBx 1.0 . 3.70 1345 1147 A 97 TYR HA A 100 LYS HBy 1.0 . 3.70 1346 1148 A 3 VAL HB A 97 TYR HA 1.0 . 4.14 1347 1149 A 100 LYS H A 97 TYR HA 1.0 . 3.95 1348 1150 A 97 TYR HDx A 97 TYR HA 1.0 . 3.72 1349 1151 A 101 ALA H A 97 TYR HA 1.0 . 4.32 1350 1152 A 52 ASN HBx A 78 THR HA 1.0 . 4.59 1351 1153 A 79 LYS H A 78 THR HA 1.0 . 3.18 1352 1154 A 49 THR HG1 A 78 THR HA 1.0 . 3.49 1353 1155 A 64 LEU HDx% A 61 GLU HA 1.0 . 4.36 1354 1156 A 95 ILE HD1% A 61 GLU HA 1.0 . 4.01 1355 1157 A 64 LEU HG A 61 GLU HA 1.0 . 4.78 1356 1158 A 61 GLU HA A 61 GLU HGx 1.0 . 3.90 1357 1159 A 61 GLU HA A 61 GLU HGy 1.0 . 3.90 1358 1160 A 61 GLU HA A 36 PHE HE% 1.0 . 4.17 1359 1161 A 65 MET H A 61 GLU HA 1.0 . 4.81 1360 1162 A 32 LEU H A 20 VAL HA 1.0 . 4.65 1361 1163 A 49 THR HG2% A 49 THR HA 1.0 . 3.03 1362 1164 A 49 THR HB A 49 THR HA 1.0 . 2.81 1363 1165 A 51 ALA H A 49 THR HA 1.0 . 4.07 1364 1166 A 50 ALA H A 49 THR HA 1.0 . 3.25 1365 1167 A 14 CYS HBy A 15 SER HA 1.0 . 4.79 1366 1168 A 17 CYS H A 15 SER HA 1.0 . 4.81 1367 1169 A 13 LYS HBx A 10 PHE HA 1.0 . 4.46 1368 1170 A 10 PHE HA A 9 ILE HB 1.0 . 5.29 1369 1171 A 10 PHE HA A 98 LEU HG 1.0 . 5.50 1370 1172 A 10 PHE HA A 7 LYS HA 1.0 . 5.50 1371 1173 A 10 PHE HA A 10 PHE HDx 1.0 . 4.70 1372 1174 A 10 PHE HA A 10 PHE HDy 1.0 . 4.82 1373 1175 A 10 PHE HA A 14 CYS H 1.0 . 4.04 1374 1176 A 63 THR HG2% A 63 THR HA 1.0 . 3.04 1375 1177 A 63 THR HB A 63 THR HA 1.0 . 3.01 1376 1178 A 66 GLU H A 63 THR HA 1.0 . 3.89 1377 1179 A 60 GLY H A 63 THR HA 1.0 . 5.50 1378 1180 A 65 MET H A 63 THR HA 1.0 . 5.50 1379 1181 A 67 TYR H A 63 THR HA 1.0 . 4.48 1380 1182 A 78 THR H A 76 PRO HA 1.0 . 4.19 1381 1183 A 9 ILE HA A 9 ILE HG1x 1.0 . 4.25 1382 1184 A 9 ILE HA A 13 LYS HGx 1.0 . 4.89 1383 1184 A 13 LYS HGy A 9 ILE HA 1.0 . 4.89 1384 1185 A 13 LYS HBx A 9 ILE HA 1.0 . 4.89 1385 1186 A 9 ILE HA A 12 MET HBy 1.0 . 4.49 1386 1187 A 9 ILE HA A 13 LYS HEx 1.0 . 5.41 1387 1187 A 9 ILE HA A 13 LYS HEy 1.0 . 5.41 1388 1188 A 9 ILE HA A 12 MET H 1.0 . 4.28 1389 1189 A 83 VAL HGx% A 83 VAL HA 1.0 . 3.25 1390 1190 A 83 VAL HGy% A 83 VAL HA 1.0 . 3.30 1391 1191 A 82 PHE HA A 83 VAL HA 1.0 . 4.60 1392 1192 A 11 ILE HA A 11 ILE HG1x 1.0 . 3.73 1393 1193 A 11 ILE HA A 15 SER HA 1.0 . 4.75 1394 1194 A 15 SER H A 11 ILE HA 1.0 . 4.34 1395 1195 A 28 THR HG2% A 28 THR HA 1.0 . 3.40 1396 1196 A 3 VAL HA A 3 VAL HGy% 1.0 . 3.19 1397 1197 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.19 1398 1198 A 3 VAL HA A 96 ALA HB% 1.0 . 4.02 1399 1199 A 3 VAL HA A 97 TYR HA 1.0 . 3.90 1400 1200 A 3 VAL HA A 2 ASP HA 1.0 . 4.74 1401 1201 A 3 VAL HA A 97 TYR HDx 1.0 . 4.95 1402 1202 A 3 VAL HA A 7 LYS H 1.0 . 4.50 1403 1203 A 95 ILE HA A 95 ILE HG1x 1.0 . 3.62 1404 1204 A 95 ILE HA A 98 LEU HBx 1.0 . 3.98 1405 1205 A 95 ILE HA A 95 ILE HG1y 1.0 . 3.62 1406 1206 A 98 LEU HG A 95 ILE HA 1.0 . 4.44 1407 1207 A 95 ILE HA A 98 LEU HBy 1.0 . 3.98 1408 1208 A 95 ILE HA A 36 PHE HE% 1.0 . 4.92 1409 1209 A 98 LEU H A 95 ILE HA 1.0 . 3.95 1410 1210 A 68 LEU HA A 71 PRO HA 1.0 . 5.50 1411 1211 A 71 PRO HA A 67 TYR HA 1.0 . 3.91 1412 1212 A 71 PRO HA A 74 TYR HBy 1.0 . 4.49 1413 1213 A 70 ASN H A 71 PRO HA 1.0 . 4.47 1414 1214 A 73 LYS H A 71 PRO HA 1.0 . 4.40 1415 1215 A 74 TYR H A 71 PRO HA 1.0 . 4.23 1416 1216 A 40 THR HB A 52 ASN HD2y 1.0 . 4.12 1417 1217 A 40 THR HB A 59 TRP HZ2 1.0 . 5.02 1418 1218 A 40 THR HB A 52 ASN HD2x 1.0 . 4.12 1419 1219 A 29 GLY H A 28 THR HB 1.0 . 4.08 1420 1220 A 78 THR HB A 75 ILE HA 1.0 . 4.71 1421 1221 A 78 THR HB A 79 LYS H 1.0 . 4.81 1422 1222 A 78 THR HB A 49 THR HG1 1.0 . 4.45 1423 1223 A 19 THR HB A 20 VAL HGy% 1.0 . 4.80 1424 1224 A 31 ASN HD2y A 19 THR HB 1.0 . 4.64 1425 1225 A 19 THR HB A 21 GLU H 1.0 . 4.18 1426 1226 A 40 THR HG2% A 59 TRP HZ2 1.0 . 3.50 1427 1227 A 75 ILE HD1% A 59 TRP HZ2 1.0 . 3.65 1428 1228 A 97 TYR HEy A 101 ALA HB% 1.0 . 4.77 1429 1229 A 7 LYS HBy A 97 TYR HEy 1.0 . 5.29 1430 1230 A 97 TYR HEy A 7 LYS HA 1.0 . 4.27 1431 1231 A 97 TYR HEy A 10 PHE HBx 1.0 . 4.20 1432 1232 A 97 TYR HEy A 10 PHE HBy 1.0 . 4.20 1433 1233 A 48 TYR HBx A 48 TYR HEy 1.0 . 4.98 1434 1234 A 57 ILE HD1% A 74 TYR HE% 1.0 . 3.51 1435 1235 A 74 TYR HE% A 57 ILE HG1x 1.0 . 4.15 1436 1236 A 74 TYR HE% A 55 LYS HGx 1.0 . 4.07 1437 1237 A 74 TYR HE% A 57 ILE HG1y 1.0 . 4.15 1438 1238 A 74 TYR HE% A 55 LYS HGy 1.0 . 4.07 1439 1239 A 75 ILE HD1% A 74 TYR HE% 1.0 . 3.94 1440 1240 A 63 THR HB A 74 TYR HE% 1.0 . 4.22 1441 1241 A 97 TYR HEx A 20 VAL HGx% 1.0 . 5.17 1442 1242 A 20 VAL HGy% A 97 TYR HEx 1.0 . 4.81 1443 1243 A 7 LYS HBx A 97 TYR HEx 1.0 . 4.70 1444 1244 A 97 TYR HEx A 7 LYS HDx 1.0 . 4.00 1445 1244 A 7 LYS HDy A 97 TYR HEx 1.0 . 4.00 1446 1245 A 97 TYR HEx A 7 LYS HA 1.0 . 5.05 1447 1246 A 97 TYR HEx A 7 LYS HEx 1.0 . 4.32 1448 1246 A 97 TYR HEx A 7 LYS HEy 1.0 . 4.32 1449 1247 A 48 TYR HEx A 41 GLY HAy 1.0 . 5.31 1450 1248 A 48 TYR HEx A 43 ALA HB% 1.0 . 4.31 1451 1249 A 59 TRP HE3 A 64 LEU HDy% 1.0 . 4.00 1452 1250 A 64 LEU HG A 59 TRP HE3 1.0 . 3.72 1453 1251 A 59 TRP HE3 A 64 LEU HA 1.0 . 4.40 1454 1252 A 63 THR HG1 A 59 TRP HE3 1.0 . 4.47 1455 1253 A 59 TRP HA A 59 TRP HE3 1.0 . 4.74 1456 1254 A 59 TRP HE3 A 64 LEU H 1.0 . 4.35 1457 1255 A 59 TRP HZ3 A 57 ILE HD1% 1.0 . 4.82 1458 1256 A 64 LEU HDy% A 59 TRP HZ3 1.0 . 3.96 1459 1257 A 64 LEU HG A 59 TRP HZ3 1.0 . 4.27 1460 1258 A 59 TRP HZ3 A 67 TYR HBy 1.0 . 4.45 1461 1259 A 59 TRP HZ3 A 74 TYR HD% 1.0 . 4.64 1462 1260 A 75 ILE HD1% A 59 TRP HH2 1.0 . 3.81 1463 1261 A 59 TRP HH2 A 67 TYR HBx 1.0 . 4.66 1464 1262 A 59 TRP HH2 A 67 TYR HBy 1.0 . 4.66 1465 1263 A 74 TYR HE% A 59 TRP HH2 1.0 . 4.03 1466 1264 A 74 TYR HD% A 59 TRP HH2 1.0 . 3.95 1467 1265 A 35 LEU HDx% A 59 TRP HD1 1.0 . 3.30 1468 1266 A 35 LEU HG A 59 TRP HD1 1.0 . 4.75 1469 1267 A 59 TRP HD1 A 59 TRP HBx 1.0 . 3.72 1470 1268 A 59 TRP HD1 A 59 TRP HBy 1.0 . 3.72 1471 1269 A 40 THR HA A 59 TRP HD1 1.0 . 4.54 1472 1270 A 59 TRP H A 59 TRP HD1 1.0 . 4.08 1473 1271 A 82 PHE HZ A 85 ILE HG1x 1.0 . 4.06 1474 1272 A 82 PHE HZ A 85 ILE HG1y 1.0 . 4.06 1475 1273 A 13 LYS HBy A 82 PHE HZ 1.0 . 4.63 1476 1274 A 82 PHE HZ A 83 VAL HGy% 1.0 . 5.32 1477 1275 A 82 PHE HZ A 13 LYS HDy 1.0 . 4.76 1478 1276 A 64 LEU HDx% A 36 PHE HZ 1.0 . 4.04 1479 1277 A 64 LEU HDx% A 36 PHE HE% 1.0 . 3.93 1480 1278 A 35 LEU HDy% A 36 PHE HE% 1.0 . 4.03 1481 1279 A 35 LEU HDx% A 36 PHE HE% 1.0 . 5.20 1482 1280 A 36 PHE HE% A 98 LEU HBx 1.0 . 4.34 1483 1281 A 36 PHE HE% A 98 LEU HBy 1.0 . 4.34 1484 1282 A 36 PHE HE% A 61 GLU HGx 1.0 . 4.61 1485 1283 A 36 PHE HE% A 99 LYS HA 1.0 . 3.83 1486 1284 A 82 PHE HE% A 71 PRO HGx 1.0 . 5.06 1487 1285 A 71 PRO HDx A 82 PHE HE% 1.0 . 5.15 1488 1286 A 13 LYS HBy A 82 PHE HD% 1.0 . 4.94 1489 1287 A 83 VAL HGy% A 82 PHE HD% 1.0 . 5.25 1490 1288 A 71 PRO HGy A 82 PHE HD% 1.0 . 4.42 1491 1289 A 71 PRO HGx A 82 PHE HD% 1.0 . 4.26 1492 1290 A 43 ALA HB% A 46 TYR HDy 1.0 . 4.29 1493 1291 A 26 HIS HBy A 46 TYR HDy 1.0 . 3.91 1494 1292 A 26 HIS HBx A 46 TYR HDy 1.0 . 5.06 1495 1293 A 48 TYR HDx A 46 TYR HDy 1.0 . 4.38 1496 1294 A 26 HIS HBy A 46 TYR HDx 1.0 . 5.07 1497 1295 A 64 LEU HDx% A 36 PHE HD% 1.0 . 4.54 1498 1296 A 35 LEU HDy% A 36 PHE HD% 1.0 . 3.94 1499 1297 A 35 LEU HG A 36 PHE HD% 1.0 . 4.18 1500 1298 A 102 THR HG2% A 36 PHE HD% 1.0 . 4.08 1501 1299 A 35 LEU HBy A 36 PHE HD% 1.0 . 3.41 1502 1300 A 35 LEU HBx A 36 PHE HD% 1.0 . 4.63 1503 1301 A 99 LYS HA A 36 PHE HD% 1.0 . 3.81 1504 1302 A 36 PHE HA A 36 PHE HD% 1.0 . 3.67 1505 1303 A 36 PHE H A 36 PHE HD% 1.0 . 2.93 1506 1304 A 101 ALA HB% A 97 TYR HDy 1.0 . 4.90 1507 1305 A 7 LYS HBx A 97 TYR HDy 1.0 . 4.36 1508 1306 A 98 LEU HG A 97 TYR HDy 1.0 . 3.98 1509 1307 A 7 LYS HA A 97 TYR HDy 1.0 . 4.07 1510 1308 A 97 TYR HA A 97 TYR HDy 1.0 . 4.91 1511 1309 A 97 TYR H A 97 TYR HDy 1.0 . 4.46 1512 1310 A 98 LEU H A 97 TYR HDy 1.0 . 4.28 1513 1311 A 7 LYS HBx A 97 TYR HDx 1.0 . 4.45 1514 1312 A 97 TYR HDx A 7 LYS HDx 1.0 . 4.08 1515 1312 A 7 LYS HDy A 97 TYR HDx 1.0 . 4.08 1516 1313 A 74 TYR HD% A 75 ILE HG1x 1.0 . 3.72 1517 1314 A 74 TYR HD% A 75 ILE HD1% 1.0 . 3.45 1518 1315 A 74 TYR HD% A 66 GLU HGy 1.0 . 4.96 1519 1316 A 74 TYR HD% A 67 TYR HBx 1.0 . 4.37 1520 1317 A 74 TYR HD% A 75 ILE HG1y 1.0 . 3.72 1521 1318 A 74 TYR HD% A 67 TYR HBy 1.0 . 4.37 1522 1319 A 74 TYR HD% A 74 TYR HA 1.0 . 4.39 1523 1320 A 74 TYR H A 74 TYR HD% 1.0 . 4.24 1524 1321 A 75 ILE H A 74 TYR HD% 1.0 . 4.65 1525 1322 A 33 HIS HE1 A 22 LYS HDx 1.0 . 4.78 1526 1322 A 22 LYS HDy A 33 HIS HE1 1.0 . 4.78 1527 1323 A 43 ALA HB% A 26 HIS HE1 1.0 . 3.01 1528 1324 A 31 ASN H A 26 HIS HE1 1.0 . 3.44 1529 1325 A 26 HIS HE1 A 31 ASN HBx 1.0 . 4.01 1530 1326 A 26 HIS HE1 A 31 ASN HBy 1.0 . 4.01 1531 1327 A 30 PRO HA A 26 HIS HE1 1.0 . 4.61 1532 1328 A 92 ALA HB% A 1 GLY HAx 1.0 . 4.28 1533 1328 A 92 ALA HB% A 1 GLY HAy 1.0 . 4.28 1534 1329 A 93 ASP HA A 1 GLY HAx 1.0 . 3.68 1535 1329 A 93 ASP HA A 1 GLY HAy 1.0 . 3.68 1536 1330 A 96 ALA HB% A 1 GLY HAx 1.0 . 3.39 1537 1330 A 96 ALA HB% A 1 GLY HAy 1.0 . 3.39 1538 1331 A 2 ASP HA A 3 VAL HGy% 1.0 . 4.31 1539 1331 A 2 ASP HA A 3 VAL HGx% 1.0 . 4.31 1540 1332 A 3 VAL H A 2 ASP HBy 1.0 . 4.48 1541 1332 A 3 VAL H A 2 ASP HBx 1.0 . 4.48 1542 1333 A 2 ASP HBy A 5 LYS HBx 1.0 . 3.41 1543 1333 A 5 LYS HBy A 2 ASP HBy 1.0 . 3.41 1544 1333 A 5 LYS HBy A 2 ASP HBx 1.0 . 3.41 1545 1333 A 2 ASP HBx A 5 LYS HBx 1.0 . 3.41 1546 1334 A 96 ALA HB% A 2 ASP HBy 1.0 . 4.73 1547 1334 A 96 ALA HB% A 2 ASP HBx 1.0 . 4.73 1548 1335 A 3 VAL H A 3 VAL HGy% 1.0 . 2.98 1549 1335 A 3 VAL H A 3 VAL HGx% 1.0 . 2.98 1550 1336 A 3 VAL HA A 97 TYR HBy 1.0 . 4.53 1551 1336 A 3 VAL HA A 97 TYR HBx 1.0 . 4.53 1552 1337 A 4 GLU H A 3 VAL HGy% 1.0 . 3.53 1553 1337 A 4 GLU H A 3 VAL HGx% 1.0 . 3.53 1554 1338 A 4 GLU HA A 3 VAL HGy% 1.0 . 5.02 1555 1338 A 4 GLU HA A 3 VAL HGx% 1.0 . 5.02 1556 1339 A 3 VAL HGx% A 4 GLU HGy 1.0 . 3.98 1557 1339 A 3 VAL HGy% A 4 GLU HGy 1.0 . 3.98 1558 1339 A 4 GLU HGx A 3 VAL HGy% 1.0 . 3.98 1559 1339 A 3 VAL HGx% A 4 GLU HGx 1.0 . 3.98 1560 1340 A 6 GLY HAx A 3 VAL HGy% 1.0 . 5.04 1561 1340 A 6 GLY HAx A 3 VAL HGx% 1.0 . 5.04 1562 1341 A 97 TYR H A 3 VAL HGy% 1.0 . 4.48 1563 1341 A 97 TYR H A 3 VAL HGx% 1.0 . 4.48 1564 1342 A 97 TYR HA A 3 VAL HGy% 1.0 . 3.11 1565 1342 A 97 TYR HA A 3 VAL HGx% 1.0 . 3.11 1566 1343 A 3 VAL HGx% A 97 TYR HBy 1.0 . 3.79 1567 1343 A 3 VAL HGy% A 97 TYR HBy 1.0 . 3.79 1568 1343 A 97 TYR HBx A 3 VAL HGy% 1.0 . 3.79 1569 1343 A 3 VAL HGx% A 97 TYR HBx 1.0 . 3.79 1570 1344 A 97 TYR HDy A 3 VAL HGy% 1.0 . 4.79 1571 1344 A 97 TYR HDy A 3 VAL HGx% 1.0 . 4.79 1572 1345 A 97 TYR HEx A 3 VAL HGy% 1.0 . 4.59 1573 1345 A 97 TYR HEx A 3 VAL HGx% 1.0 . 4.59 1574 1346 A 97 TYR HDx A 3 VAL HGy% 1.0 . 3.53 1575 1346 A 97 TYR HDx A 3 VAL HGx% 1.0 . 3.53 1576 1347 A 3 VAL HGy% A 100 LYS HBy 1.0 . 3.32 1577 1347 A 3 VAL HGx% A 100 LYS HBy 1.0 . 3.32 1578 1347 A 100 LYS HBx A 3 VAL HGy% 1.0 . 3.32 1579 1347 A 3 VAL HGx% A 100 LYS HBx 1.0 . 3.32 1580 1348 A 3 VAL HGy% A 100 LYS HDy 1.0 . 3.07 1581 1348 A 3 VAL HGx% A 100 LYS HDy 1.0 . 3.07 1582 1348 A 100 LYS HDx A 3 VAL HGy% 1.0 . 3.07 1583 1348 A 3 VAL HGx% A 100 LYS HDx 1.0 . 3.07 1584 1349 A 3 VAL HGy% A 100 LYS HEx 1.0 . 5.00 1585 1349 A 3 VAL HGx% A 100 LYS HEx 1.0 . 5.00 1586 1349 A 100 LYS HEy A 3 VAL HGy% 1.0 . 5.00 1587 1349 A 100 LYS HEy A 3 VAL HGx% 1.0 . 5.00 1588 1350 A 4 GLU H A 4 GLU HBy 1.0 . 2.96 1589 1350 A 4 GLU H A 4 GLU HBx 1.0 . 2.96 1590 1351 A 4 GLU HA A 4 GLU HGy 1.0 . 3.19 1591 1351 A 4 GLU HA A 4 GLU HGx 1.0 . 3.19 1592 1352 A 4 GLU HBx A 4 GLU HGy 1.0 . 2.30 1593 1352 A 4 GLU HBy A 4 GLU HGy 1.0 . 2.30 1594 1352 A 4 GLU HGx A 4 GLU HBy 1.0 . 2.30 1595 1352 A 4 GLU HGx A 4 GLU HBx 1.0 . 2.30 1596 1353 A 5 LYS H A 4 GLU HBy 1.0 . 3.47 1597 1353 A 5 LYS H A 4 GLU HBx 1.0 . 3.47 1598 1354 A 5 LYS H A 5 LYS HGy 1.0 . 3.54 1599 1354 A 5 LYS H A 5 LYS HGx 1.0 . 3.54 1600 1355 A 5 LYS HA A 5 LYS HGy 1.0 . 3.11 1601 1355 A 5 LYS HA A 5 LYS HGx 1.0 . 3.11 1602 1356 A 5 LYS HDy A 5 LYS HGy 1.0 . 2.43 1603 1356 A 5 LYS HDx A 5 LYS HGy 1.0 . 2.43 1604 1356 A 5 LYS HGx A 5 LYS HDx 1.0 . 2.43 1605 1356 A 5 LYS HDy A 5 LYS HGx 1.0 . 2.43 1606 1357 A 5 LYS HEy A 5 LYS HGy 1.0 . 2.97 1607 1357 A 5 LYS HEx A 5 LYS HGy 1.0 . 2.97 1608 1357 A 5 LYS HGx A 5 LYS HEx 1.0 . 2.97 1609 1357 A 5 LYS HEy A 5 LYS HGx 1.0 . 2.97 1610 1358 A 6 GLY H A 97 TYR HBy 1.0 . 4.82 1611 1358 A 6 GLY H A 97 TYR HBx 1.0 . 4.82 1612 1359 A 6 GLY HAy A 97 TYR HBy 1.0 . 4.41 1613 1359 A 6 GLY HAy A 97 TYR HBx 1.0 . 4.41 1614 1360 A 6 GLY HAx A 94 LEU HDy% 1.0 . 4.86 1615 1360 A 6 GLY HAx A 94 LEU HDx% 1.0 . 4.86 1616 1361 A 7 LYS H A 97 TYR HBy 1.0 . 3.71 1617 1361 A 7 LYS H A 97 TYR HBx 1.0 . 3.71 1618 1362 A 7 LYS HA A 7 LYS HGy 1.0 . 3.28 1619 1362 A 7 LYS HA A 7 LYS HGx 1.0 . 3.28 1620 1363 A 7 LYS HA A 10 PHE HBx 1.0 . 3.38 1621 1363 A 7 LYS HA A 10 PHE HBy 1.0 . 3.38 1622 1364 A 7 LYS HA A 97 TYR HBy 1.0 . 4.71 1623 1364 A 7 LYS HA A 97 TYR HBx 1.0 . 4.71 1624 1365 A 8 LYS H A 7 LYS HGy 1.0 . 4.38 1625 1365 A 8 LYS H A 7 LYS HGx 1.0 . 4.38 1626 1366 A 8 LYS H A 8 LYS HGy 1.0 . 3.42 1627 1366 A 8 LYS H A 8 LYS HGx 1.0 . 3.42 1628 1367 A 8 LYS HA A 8 LYS HGy 1.0 . 2.95 1629 1367 A 8 LYS HA A 8 LYS HGx 1.0 . 2.95 1630 1368 A 8 LYS HDx A 8 LYS HGy 1.0 . 2.22 1631 1368 A 8 LYS HDy A 8 LYS HGy 1.0 . 2.22 1632 1368 A 8 LYS HGx A 8 LYS HDx 1.0 . 2.22 1633 1368 A 8 LYS HDy A 8 LYS HGx 1.0 . 2.22 1634 1369 A 8 LYS HEx A 8 LYS HGy 1.0 . 3.18 1635 1369 A 8 LYS HEy A 8 LYS HGy 1.0 . 3.18 1636 1369 A 8 LYS HGx A 8 LYS HEx 1.0 . 3.18 1637 1369 A 8 LYS HEy A 8 LYS HGx 1.0 . 3.18 1638 1370 A 9 ILE H A 9 ILE HG1x 1.0 . 2.95 1639 1370 A 9 ILE H A 9 ILE HG1y 1.0 . 2.95 1640 1371 A 9 ILE H A 94 LEU HDy% 1.0 . 4.97 1641 1371 A 9 ILE H A 94 LEU HDx% 1.0 . 4.97 1642 1372 A 9 ILE HA A 9 ILE HG1x 1.0 . 3.51 1643 1372 A 9 ILE HA A 9 ILE HG1y 1.0 . 3.51 1644 1373 A 9 ILE HA A 12 MET HBy 1.0 . 3.67 1645 1373 A 9 ILE HA A 12 MET HBx 1.0 . 3.67 1646 1374 A 9 ILE HB A 9 ILE HG1x 1.0 . 2.52 1647 1374 A 9 ILE HB A 9 ILE HG1y 1.0 . 2.52 1648 1375 A 9 ILE HB A 94 LEU HDy% 1.0 . 3.36 1649 1375 A 9 ILE HB A 94 LEU HDx% 1.0 . 3.36 1650 1376 A 9 ILE HG2% A 13 LYS HDy 1.0 . 3.96 1651 1376 A 9 ILE HG2% A 13 LYS HDx 1.0 . 3.96 1652 1377 A 9 ILE HG2% A 94 LEU HDy% 1.0 . 3.48 1653 1377 A 9 ILE HG2% A 94 LEU HDx% 1.0 . 3.48 1654 1378 A 9 ILE HD1% A 90 GLU HBy 1.0 . 3.92 1655 1378 A 9 ILE HD1% A 90 GLU HBx 1.0 . 3.92 1656 1379 A 10 PHE H A 94 LEU HDy% 1.0 . 3.91 1657 1379 A 10 PHE H A 94 LEU HDx% 1.0 . 3.91 1658 1380 A 10 PHE HA A 94 LEU HDy% 1.0 . 3.51 1659 1380 A 10 PHE HA A 94 LEU HDx% 1.0 . 3.51 1660 1381 A 11 ILE H A 10 PHE HBx 1.0 . 3.50 1661 1381 A 11 ILE H A 10 PHE HBy 1.0 . 3.50 1662 1382 A 94 LEU HG A 10 PHE HBx 1.0 . 5.34 1663 1382 A 94 LEU HG A 10 PHE HBy 1.0 . 5.34 1664 1383 A 10 PHE HBx A 94 LEU HDy% 1.0 . 3.16 1665 1383 A 10 PHE HBy A 94 LEU HDy% 1.0 . 3.16 1666 1383 A 94 LEU HDx% A 10 PHE HBx 1.0 . 3.16 1667 1383 A 94 LEU HDx% A 10 PHE HBy 1.0 . 3.16 1668 1384 A 97 TYR HDy A 10 PHE HBx 1.0 . 3.96 1669 1384 A 97 TYR HDy A 10 PHE HBy 1.0 . 3.96 1670 1385 A 97 TYR HEy A 10 PHE HBx 1.0 . 3.67 1671 1385 A 97 TYR HEy A 10 PHE HBy 1.0 . 3.67 1672 1386 A 10 PHE HBy A 98 LEU HDy% 1.0 . 4.63 1673 1386 A 98 LEU HDx% A 10 PHE HBx 1.0 . 4.63 1674 1386 A 10 PHE HBy A 98 LEU HDx% 1.0 . 4.63 1675 1386 A 10 PHE HBx A 98 LEU HDy% 1.0 . 4.63 1676 1387 A 10 PHE HDx A 94 LEU HDy% 1.0 . 4.85 1677 1387 A 10 PHE HDx A 94 LEU HDx% 1.0 . 4.85 1678 1388 A 10 PHE HDx A 98 LEU HDy% 1.0 . 4.57 1679 1388 A 10 PHE HDx A 98 LEU HDx% 1.0 . 4.57 1680 1389 A 10 PHE HDy A 94 LEU HDy% 1.0 . 4.90 1681 1389 A 10 PHE HDy A 94 LEU HDx% 1.0 . 4.90 1682 1390 A 10 PHE HDy A 98 LEU HDy% 1.0 . 5.03 1683 1390 A 10 PHE HDy A 98 LEU HDx% 1.0 . 5.03 1684 1391 A 11 ILE HA A 15 SER HBy 1.0 . 3.59 1685 1391 A 11 ILE HA A 15 SER HBx 1.0 . 3.59 1686 1392 A 11 ILE HG2% A 15 SER HBy 1.0 . 4.50 1687 1392 A 11 ILE HG2% A 15 SER HBx 1.0 . 4.50 1688 1393 A 12 MET H A 12 MET HBy 1.0 . 2.98 1689 1393 A 12 MET H A 12 MET HBx 1.0 . 2.98 1690 1394 A 12 MET H A 12 MET HGy 1.0 . 3.70 1691 1394 A 12 MET H A 12 MET HGx 1.0 . 3.70 1692 1395 A 13 LYS H A 13 LYS HDy 1.0 . 4.38 1693 1395 A 13 LYS H A 13 LYS HDx 1.0 . 4.38 1694 1396 A 13 LYS HA A 13 LYS HDy 1.0 . 4.26 1695 1396 A 13 LYS HA A 13 LYS HDx 1.0 . 4.26 1696 1397 A 82 PHE HE% A 13 LYS HDy 1.0 . 4.22 1697 1397 A 82 PHE HE% A 13 LYS HDx 1.0 . 4.22 1698 1398 A 82 PHE HZ A 13 LYS HDy 1.0 . 4.19 1699 1398 A 82 PHE HZ A 13 LYS HDx 1.0 . 4.19 1700 1399 A 85 ILE HD1% A 13 LYS HDy 1.0 . 3.90 1701 1399 A 85 ILE HD1% A 13 LYS HDx 1.0 . 3.90 1702 1400 A 15 SER H A 15 SER HBy 1.0 . 3.38 1703 1400 A 15 SER H A 15 SER HBx 1.0 . 3.38 1704 1401 A 16 GLN H A 16 GLN HGx 1.0 . 4.42 1705 1401 A 16 GLN H A 16 GLN HGy 1.0 . 4.42 1706 1402 A 16 GLN HA A 16 GLN HGx 1.0 . 3.71 1707 1402 A 16 GLN HA A 16 GLN HGy 1.0 . 3.71 1708 1403 A 17 CYS H A 16 GLN HBy 1.0 . 4.24 1709 1403 A 17 CYS H A 16 GLN HBx 1.0 . 4.24 1710 1404 A 17 CYS H A 16 GLN HGx 1.0 . 4.85 1711 1404 A 17 CYS H A 16 GLN HGy 1.0 . 4.85 1712 1405 A 17 CYS HA A 27 LYS HBy 1.0 . 4.04 1713 1405 A 17 CYS HA A 27 LYS HBx 1.0 . 4.04 1714 1406 A 17 CYS HA A 27 LYS HEy 1.0 . 4.71 1715 1406 A 17 CYS HA A 27 LYS HEx 1.0 . 4.71 1716 1407 A 28 THR HB A 17 CYS HBy 1.0 . 4.43 1717 1407 A 28 THR HB A 17 CYS HBx 1.0 . 4.43 1718 1408 A 29 GLY H A 17 CYS HBy 1.0 . 5.34 1719 1408 A 29 GLY H A 17 CYS HBx 1.0 . 5.34 1720 1409 A 19 THR H A 18 HIS HBx 1.0 . 4.70 1721 1409 A 19 THR H A 18 HIS HBy 1.0 . 4.70 1722 1410 A 19 THR HB A 24 GLY HAx 1.0 . 4.43 1723 1410 A 19 THR HB A 24 GLY HAy 1.0 . 4.43 1724 1411 A 19 THR HG2% A 24 GLY HAx 1.0 . 4.51 1725 1411 A 19 THR HG2% A 24 GLY HAy 1.0 . 4.51 1726 1412 A 19 THR HG2% A 25 LYS HGy 1.0 . 4.35 1727 1412 A 19 THR HG2% A 25 LYS HGx 1.0 . 4.35 1728 1413 A 31 ASN HD2y A 19 THR HG2% 1.0 . 4.42 1729 1413 A 31 ASN HD2x A 19 THR HG2% 1.0 . 4.42 1730 1414 A 20 VAL H A 31 ASN HBy 1.0 . 5.34 1731 1414 A 20 VAL H A 31 ASN HBx 1.0 . 5.34 1732 1415 A 31 ASN HD2y A 20 VAL H 1.0 . 4.94 1733 1415 A 31 ASN HD2x A 20 VAL H 1.0 . 4.94 1734 1416 A 31 ASN HD2y A 20 VAL HA 1.0 . 4.91 1735 1416 A 31 ASN HD2x A 20 VAL HA 1.0 . 4.91 1736 1417 A 20 VAL HA A 32 LEU HBy 1.0 . 4.40 1737 1417 A 20 VAL HA A 32 LEU HBx 1.0 . 4.40 1738 1418 A 20 VAL HB A 98 LEU HDy% 1.0 . 4.32 1739 1418 A 20 VAL HB A 98 LEU HDx% 1.0 . 4.32 1740 1419 A 20 VAL HGx% A 32 LEU HBy 1.0 . 3.68 1741 1419 A 20 VAL HGx% A 32 LEU HBx 1.0 . 3.68 1742 1420 A 20 VAL HGx% A 32 LEU HDx% 1.0 . 3.99 1743 1420 A 20 VAL HGx% A 32 LEU HDy% 1.0 . 3.99 1744 1421 A 20 VAL HGx% A 98 LEU HDy% 1.0 . 3.62 1745 1421 A 20 VAL HGx% A 98 LEU HDx% 1.0 . 3.62 1746 1422 A 21 GLU HBy A 24 GLY HAx 1.0 . 4.68 1747 1422 A 21 GLU HBx A 24 GLY HAx 1.0 . 4.68 1748 1422 A 24 GLY HAy A 21 GLU HBx 1.0 . 4.68 1749 1422 A 21 GLU HBy A 24 GLY HAy 1.0 . 4.68 1750 1423 A 22 LYS H A 22 LYS HGy 1.0 . 4.82 1751 1423 A 22 LYS H A 22 LYS HGx 1.0 . 4.82 1752 1424 A 22 LYS HA A 22 LYS HGy 1.0 . 3.33 1753 1424 A 22 LYS HA A 22 LYS HGx 1.0 . 3.33 1754 1425 A 31 ASN HD2x A 22 LYS HA 1.0 . 4.87 1755 1425 A 31 ASN HD2y A 22 LYS HA 1.0 . 4.87 1756 1426 A 22 LYS HBy A 22 LYS HDx 1.0 . 3.68 1757 1426 A 22 LYS HBx A 22 LYS HDx 1.0 . 3.68 1758 1426 A 22 LYS HDy A 22 LYS HBy 1.0 . 3.68 1759 1426 A 22 LYS HDy A 22 LYS HBx 1.0 . 3.68 1760 1427 A 22 LYS HBx A 22 LYS HEx 1.0 . 4.59 1761 1427 A 22 LYS HBy A 22 LYS HEx 1.0 . 4.59 1762 1427 A 22 LYS HEy A 22 LYS HBy 1.0 . 4.59 1763 1427 A 22 LYS HEy A 22 LYS HBx 1.0 . 4.59 1764 1428 A 22 LYS HEx A 22 LYS HGy 1.0 . 3.50 1765 1428 A 22 LYS HEy A 22 LYS HGy 1.0 . 3.50 1766 1428 A 22 LYS HGx A 22 LYS HEx 1.0 . 3.50 1767 1428 A 22 LYS HEy A 22 LYS HGx 1.0 . 3.50 1768 1429 A 24 GLY H A 31 ASN HD2y 1.0 . 4.23 1769 1429 A 24 GLY H A 31 ASN HD2x 1.0 . 4.23 1770 1430 A 25 LYS H A 24 GLY HAx 1.0 . 3.02 1771 1430 A 25 LYS H A 24 GLY HAy 1.0 . 3.02 1772 1431 A 31 ASN HD2x A 24 GLY HAy 1.0 . 3.69 1773 1431 A 31 ASN HD2x A 24 GLY HAx 1.0 . 3.69 1774 1431 A 31 ASN HD2y A 24 GLY HAx 1.0 . 3.69 1775 1431 A 31 ASN HD2y A 24 GLY HAy 1.0 . 3.69 1776 1432 A 25 LYS H A 25 LYS HBy 1.0 . 3.34 1777 1432 A 25 LYS H A 25 LYS HBx 1.0 . 3.34 1778 1433 A 25 LYS H A 25 LYS HGy 1.0 . 3.35 1779 1433 A 25 LYS H A 25 LYS HGx 1.0 . 3.35 1780 1434 A 25 LYS H A 25 LYS HDx 1.0 . 4.68 1781 1434 A 25 LYS H A 25 LYS HDy 1.0 . 4.68 1782 1435 A 25 LYS HA A 25 LYS HGy 1.0 . 3.59 1783 1435 A 25 LYS HA A 25 LYS HGx 1.0 . 3.59 1784 1436 A 25 LYS HA A 25 LYS HDx 1.0 . 4.72 1785 1436 A 25 LYS HA A 25 LYS HDy 1.0 . 4.72 1786 1437 A 31 ASN HD2x A 25 LYS HA 1.0 . 5.34 1787 1437 A 31 ASN HD2y A 25 LYS HA 1.0 . 5.34 1788 1438 A 25 LYS HBx A 25 LYS HEx 1.0 . 3.91 1789 1438 A 25 LYS HBy A 25 LYS HEx 1.0 . 3.91 1790 1438 A 25 LYS HEy A 25 LYS HBy 1.0 . 3.91 1791 1438 A 25 LYS HEy A 25 LYS HBx 1.0 . 3.91 1792 1439 A 26 HIS H A 25 LYS HBy 1.0 . 3.56 1793 1439 A 26 HIS H A 25 LYS HBx 1.0 . 3.56 1794 1440 A 25 LYS HEy A 25 LYS HGy 1.0 . 3.51 1795 1440 A 25 LYS HEx A 25 LYS HGy 1.0 . 3.51 1796 1440 A 25 LYS HGx A 25 LYS HEx 1.0 . 3.51 1797 1440 A 25 LYS HEy A 25 LYS HGx 1.0 . 3.51 1798 1441 A 26 HIS H A 25 LYS HGy 1.0 . 3.65 1799 1441 A 26 HIS H A 25 LYS HGx 1.0 . 3.65 1800 1442 A 26 HIS H A 25 LYS HDx 1.0 . 4.41 1801 1442 A 26 HIS H A 25 LYS HDy 1.0 . 4.41 1802 1443 A 26 HIS HA A 31 ASN HBy 1.0 . 5.30 1803 1443 A 26 HIS HA A 31 ASN HBx 1.0 . 5.30 1804 1444 A 26 HIS HE1 A 30 PRO HBx 1.0 . 4.63 1805 1444 A 26 HIS HE1 A 30 PRO HBy 1.0 . 4.63 1806 1445 A 26 HIS HE1 A 46 TYR HBy 1.0 . 4.49 1807 1445 A 26 HIS HE1 A 46 TYR HBx 1.0 . 4.49 1808 1446 A 27 LYS H A 27 LYS HBy 1.0 . 3.64 1809 1446 A 27 LYS H A 27 LYS HBx 1.0 . 3.64 1810 1447 A 27 LYS HA A 27 LYS HDy 1.0 . 3.94 1811 1447 A 27 LYS HA A 27 LYS HDx 1.0 . 3.94 1812 1448 A 27 LYS HBy A 27 LYS HDy 1.0 . 3.21 1813 1448 A 27 LYS HBx A 27 LYS HDy 1.0 . 3.21 1814 1448 A 27 LYS HDx A 27 LYS HBy 1.0 . 3.21 1815 1448 A 27 LYS HBx A 27 LYS HDx 1.0 . 3.21 1816 1449 A 27 LYS HBy A 27 LYS HEy 1.0 . 3.10 1817 1449 A 27 LYS HBx A 27 LYS HEy 1.0 . 3.10 1818 1449 A 27 LYS HEx A 27 LYS HBy 1.0 . 3.10 1819 1449 A 27 LYS HBx A 27 LYS HEx 1.0 . 3.10 1820 1450 A 28 THR HB A 27 LYS HBy 1.0 . 4.69 1821 1450 A 28 THR HB A 27 LYS HBx 1.0 . 4.69 1822 1451 A 29 GLY H A 27 LYS HBy 1.0 . 4.64 1823 1451 A 29 GLY H A 27 LYS HBx 1.0 . 4.64 1824 1452 A 27 LYS HEx A 27 LYS HGy 1.0 . 3.32 1825 1452 A 27 LYS HEy A 27 LYS HGy 1.0 . 3.32 1826 1452 A 27 LYS HGx A 27 LYS HEy 1.0 . 3.32 1827 1452 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.32 1828 1453 A 30 PRO HA A 31 ASN HBy 1.0 . 5.20 1829 1453 A 30 PRO HA A 31 ASN HBx 1.0 . 5.20 1830 1454 A 30 PRO HA A 46 TYR HBy 1.0 . 4.43 1831 1454 A 30 PRO HA A 46 TYR HBx 1.0 . 4.43 1832 1455 A 31 ASN H A 30 PRO HBx 1.0 . 3.94 1833 1455 A 31 ASN H A 30 PRO HBy 1.0 . 3.94 1834 1456 A 43 ALA HB% A 30 PRO HBx 1.0 . 3.88 1835 1456 A 43 ALA HB% A 30 PRO HBy 1.0 . 3.88 1836 1457 A 30 PRO HBx A 46 TYR HBy 1.0 . 4.47 1837 1457 A 30 PRO HBy A 46 TYR HBy 1.0 . 4.47 1838 1457 A 46 TYR HBx A 30 PRO HBx 1.0 . 4.47 1839 1457 A 30 PRO HBy A 46 TYR HBx 1.0 . 4.47 1840 1458 A 48 TYR HEy A 30 PRO HBx 1.0 . 4.87 1841 1458 A 48 TYR HEy A 30 PRO HBy 1.0 . 4.87 1842 1459 A 48 TYR HEx A 30 PRO HBx 1.0 . 4.14 1843 1459 A 48 TYR HEx A 30 PRO HBy 1.0 . 4.14 1844 1460 A 31 ASN H A 30 PRO HGx 1.0 . 4.84 1845 1460 A 31 ASN H A 30 PRO HGy 1.0 . 4.84 1846 1461 A 46 TYR HDy A 30 PRO HGx 1.0 . 4.87 1847 1461 A 46 TYR HDy A 30 PRO HGy 1.0 . 4.87 1848 1462 A 48 TYR HEy A 30 PRO HGx 1.0 . 4.53 1849 1462 A 48 TYR HEy A 30 PRO HGy 1.0 . 4.53 1850 1463 A 31 ASN H A 30 PRO HDy 1.0 . 5.03 1851 1463 A 31 ASN H A 30 PRO HDx 1.0 . 5.03 1852 1464 A 46 TYR HDy A 30 PRO HDy 1.0 . 4.55 1853 1464 A 46 TYR HDy A 30 PRO HDx 1.0 . 4.55 1854 1465 A 31 ASN H A 31 ASN HBy 1.0 . 3.23 1855 1465 A 31 ASN H A 31 ASN HBx 1.0 . 3.23 1856 1466 A 31 ASN HA A 32 LEU HBy 1.0 . 4.61 1857 1466 A 31 ASN HA A 32 LEU HBx 1.0 . 4.61 1858 1467 A 31 ASN HD2x A 31 ASN HBx 1.0 . 3.23 1859 1467 A 31 ASN HD2y A 31 ASN HBy 1.0 . 3.23 1860 1467 A 31 ASN HD2y A 31 ASN HBx 1.0 . 3.23 1861 1467 A 31 ASN HD2x A 31 ASN HBy 1.0 . 3.23 1862 1468 A 32 LEU H A 31 ASN HBy 1.0 . 3.91 1863 1468 A 32 LEU H A 31 ASN HBx 1.0 . 3.91 1864 1469 A 31 ASN HD2y A 32 LEU H 1.0 . 4.58 1865 1469 A 31 ASN HD2x A 32 LEU H 1.0 . 4.58 1866 1470 A 32 LEU H A 32 LEU HBy 1.0 . 3.47 1867 1470 A 32 LEU H A 32 LEU HBx 1.0 . 3.47 1868 1471 A 32 LEU HA A 32 LEU HDx% 1.0 . 3.67 1869 1471 A 32 LEU HDy% A 32 LEU HA 1.0 . 3.67 1870 1472 A 33 HIS H A 32 LEU HBy 1.0 . 4.03 1871 1472 A 33 HIS H A 32 LEU HBx 1.0 . 4.03 1872 1473 A 35 LEU HDy% A 32 LEU HBy 1.0 . 5.17 1873 1473 A 35 LEU HDy% A 32 LEU HBx 1.0 . 5.17 1874 1474 A 32 LEU HBx A 98 LEU HDy% 1.0 . 4.35 1875 1474 A 32 LEU HBy A 98 LEU HDy% 1.0 . 4.35 1876 1474 A 98 LEU HDx% A 32 LEU HBy 1.0 . 4.35 1877 1474 A 98 LEU HDx% A 32 LEU HBx 1.0 . 4.35 1878 1475 A 102 THR HG2% A 32 LEU HBy 1.0 . 3.45 1879 1475 A 102 THR HG2% A 32 LEU HBx 1.0 . 3.45 1880 1476 A 33 HIS H A 32 LEU HDx% 1.0 . 4.67 1881 1476 A 33 HIS H A 32 LEU HDy% 1.0 . 4.67 1882 1477 A 35 LEU HDy% A 32 LEU HDx% 1.0 . 4.49 1883 1477 A 35 LEU HDy% A 32 LEU HDy% 1.0 . 4.49 1884 1478 A 32 LEU HDy% A 98 LEU HDy% 1.0 . 4.66 1885 1478 A 32 LEU HDx% A 98 LEU HDy% 1.0 . 4.66 1886 1478 A 98 LEU HDx% A 32 LEU HDx% 1.0 . 4.66 1887 1478 A 98 LEU HDx% A 32 LEU HDy% 1.0 . 4.66 1888 1479 A 34 GLY H A 33 HIS HBy 1.0 . 4.54 1889 1479 A 34 GLY H A 33 HIS HBx 1.0 . 4.54 1890 1480 A 34 GLY HAy A 38 ARG HDx 1.0 . 4.90 1891 1480 A 34 GLY HAx A 38 ARG HDx 1.0 . 4.90 1892 1480 A 38 ARG HDy A 34 GLY HAy 1.0 . 4.90 1893 1480 A 38 ARG HDy A 34 GLY HAx 1.0 . 4.90 1894 1481 A 102 THR HB A 34 GLY HAy 1.0 . 4.91 1895 1481 A 102 THR HB A 34 GLY HAx 1.0 . 4.91 1896 1482 A 35 LEU HG A 59 TRP HBy 1.0 . 3.93 1897 1482 A 35 LEU HG A 59 TRP HBx 1.0 . 3.93 1898 1483 A 36 PHE H A 36 PHE HBx 1.0 . 3.15 1899 1483 A 36 PHE H A 36 PHE HBy 1.0 . 3.15 1900 1484 A 36 PHE HA A 59 TRP HBy 1.0 . 4.24 1901 1484 A 36 PHE HA A 59 TRP HBx 1.0 . 4.24 1902 1485 A 37 GLY H A 36 PHE HBx 1.0 . 4.29 1903 1485 A 37 GLY H A 36 PHE HBy 1.0 . 4.29 1904 1486 A 36 PHE HD% A 60 GLY HAy 1.0 . 3.48 1905 1486 A 36 PHE HD% A 60 GLY HAx 1.0 . 3.48 1906 1487 A 36 PHE HE% A 60 GLY HAy 1.0 . 5.02 1907 1487 A 36 PHE HE% A 60 GLY HAx 1.0 . 5.02 1908 1488 A 36 PHE HE% A 61 GLU HGy 1.0 . 3.82 1909 1488 A 36 PHE HE% A 61 GLU HGx 1.0 . 3.82 1910 1489 A 36 PHE HE% A 98 LEU HBy 1.0 . 3.69 1911 1489 A 36 PHE HE% A 98 LEU HBx 1.0 . 3.69 1912 1490 A 36 PHE HE% A 99 LYS HGy 1.0 . 4.15 1913 1490 A 36 PHE HE% A 99 LYS HGx 1.0 . 4.15 1914 1491 A 36 PHE HZ A 61 GLU HGy 1.0 . 4.82 1915 1491 A 36 PHE HZ A 61 GLU HGx 1.0 . 4.82 1916 1492 A 36 PHE HZ A 98 LEU HBy 1.0 . 5.34 1917 1492 A 36 PHE HZ A 98 LEU HBx 1.0 . 5.34 1918 1493 A 36 PHE HZ A 99 LYS HBy 1.0 . 4.12 1919 1493 A 36 PHE HZ A 99 LYS HBx 1.0 . 4.12 1920 1494 A 36 PHE HZ A 99 LYS HDy 1.0 . 4.79 1921 1494 A 36 PHE HZ A 99 LYS HDx 1.0 . 4.79 1922 1495 A 37 GLY H A 38 ARG HBy 1.0 . 5.21 1923 1495 A 37 GLY H A 38 ARG HBx 1.0 . 5.21 1924 1496 A 37 GLY H A 59 TRP HBy 1.0 . 5.34 1925 1496 A 37 GLY H A 59 TRP HBx 1.0 . 5.34 1926 1497 A 38 ARG H A 38 ARG HBy 1.0 . 3.21 1927 1497 A 38 ARG H A 38 ARG HBx 1.0 . 3.21 1928 1498 A 38 ARG H A 38 ARG HGx 1.0 . 4.24 1929 1498 A 38 ARG H A 38 ARG HGy 1.0 . 4.24 1930 1499 A 38 ARG HA A 38 ARG HGx 1.0 . 3.63 1931 1499 A 38 ARG HA A 38 ARG HGy 1.0 . 3.63 1932 1500 A 38 ARG HBx A 38 ARG HDx 1.0 . 3.58 1933 1500 A 38 ARG HBy A 38 ARG HDx 1.0 . 3.58 1934 1500 A 38 ARG HDy A 38 ARG HBy 1.0 . 3.58 1935 1500 A 38 ARG HDy A 38 ARG HBx 1.0 . 3.58 1936 1501 A 39 LYS H A 38 ARG HBy 1.0 . 4.02 1937 1501 A 39 LYS H A 38 ARG HBx 1.0 . 4.02 1938 1502 A 39 LYS H A 38 ARG HGx 1.0 . 3.67 1939 1502 A 39 LYS H A 38 ARG HGy 1.0 . 3.67 1940 1503 A 39 LYS HA A 38 ARG HGx 1.0 . 4.87 1941 1503 A 39 LYS HA A 38 ARG HGy 1.0 . 4.87 1942 1504 A 38 ARG HDy A 42 GLN HBy 1.0 . 3.77 1943 1504 A 42 GLN HBx A 38 ARG HDx 1.0 . 3.77 1944 1504 A 38 ARG HDy A 42 GLN HBx 1.0 . 3.77 1945 1504 A 38 ARG HDx A 42 GLN HBy 1.0 . 3.77 1946 1505 A 39 LYS H A 39 LYS HBy 1.0 . 3.28 1947 1505 A 39 LYS H A 39 LYS HBx 1.0 . 3.28 1948 1506 A 39 LYS H A 39 LYS HGy 1.0 . 3.94 1949 1506 A 39 LYS H A 39 LYS HGx 1.0 . 3.94 1950 1507 A 39 LYS HBx A 39 LYS HGy 1.0 . 2.35 1951 1507 A 39 LYS HBy A 39 LYS HGy 1.0 . 2.35 1952 1507 A 39 LYS HGx A 39 LYS HBy 1.0 . 2.35 1953 1507 A 39 LYS HBx A 39 LYS HGx 1.0 . 2.35 1954 1508 A 39 LYS HBx A 39 LYS HEx 1.0 . 3.36 1955 1508 A 39 LYS HBy A 39 LYS HEx 1.0 . 3.36 1956 1508 A 39 LYS HEy A 39 LYS HBy 1.0 . 3.36 1957 1508 A 39 LYS HEy A 39 LYS HBx 1.0 . 3.36 1958 1509 A 40 THR H A 39 LYS HBy 1.0 . 3.59 1959 1509 A 40 THR H A 39 LYS HBx 1.0 . 3.59 1960 1510 A 39 LYS HBx A 42 GLN HGy 1.0 . 2.88 1961 1510 A 39 LYS HBy A 42 GLN HGy 1.0 . 2.88 1962 1510 A 42 GLN HGx A 39 LYS HBy 1.0 . 2.88 1963 1510 A 39 LYS HBx A 42 GLN HGx 1.0 . 2.88 1964 1511 A 42 GLN HE2x A 39 LYS HBx 1.0 . 4.72 1965 1511 A 42 GLN HE2x A 39 LYS HBy 1.0 . 4.72 1966 1511 A 42 GLN HE2y A 39 LYS HBx 1.0 . 4.72 1967 1511 A 42 GLN HE2y A 39 LYS HBy 1.0 . 4.72 1968 1512 A 39 LYS HBy A 56 GLY HAx 1.0 . 5.18 1969 1512 A 39 LYS HBx A 56 GLY HAx 1.0 . 5.18 1970 1512 A 56 GLY HAy A 39 LYS HBy 1.0 . 5.18 1971 1512 A 39 LYS HBx A 56 GLY HAy 1.0 . 5.18 1972 1513 A 39 LYS HDy A 39 LYS HGy 1.0 . 2.37 1973 1513 A 39 LYS HDx A 39 LYS HGy 1.0 . 2.37 1974 1513 A 39 LYS HGx A 39 LYS HDx 1.0 . 2.37 1975 1513 A 39 LYS HDy A 39 LYS HGx 1.0 . 2.37 1976 1514 A 39 LYS HEx A 39 LYS HGy 1.0 . 3.14 1977 1514 A 39 LYS HEy A 39 LYS HGy 1.0 . 3.14 1978 1514 A 39 LYS HGx A 39 LYS HEx 1.0 . 3.14 1979 1514 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.14 1980 1515 A 42 GLN HE2x A 39 LYS HGx 1.0 . 4.76 1981 1515 A 42 GLN HE2y A 39 LYS HGy 1.0 . 4.76 1982 1515 A 42 GLN HE2x A 39 LYS HGy 1.0 . 4.76 1983 1515 A 42 GLN HE2y A 39 LYS HGx 1.0 . 4.76 1984 1516 A 39 LYS HGy A 56 GLY HAx 1.0 . 5.03 1985 1516 A 39 LYS HGx A 56 GLY HAx 1.0 . 5.03 1986 1516 A 56 GLY HAy A 39 LYS HGy 1.0 . 5.03 1987 1516 A 39 LYS HGx A 56 GLY HAy 1.0 . 5.03 1988 1517 A 58 ILE HA A 39 LYS HGy 1.0 . 4.10 1989 1517 A 58 ILE HA A 39 LYS HGx 1.0 . 4.10 1990 1518 A 58 ILE HD1% A 39 LYS HGy 1.0 . 3.47 1991 1518 A 58 ILE HD1% A 39 LYS HGx 1.0 . 3.47 1992 1519 A 59 TRP H A 39 LYS HGy 1.0 . 5.34 1993 1519 A 59 TRP H A 39 LYS HGx 1.0 . 5.34 1994 1520 A 39 LYS HDy A 56 GLY HAx 1.0 . 5.34 1995 1520 A 39 LYS HDx A 56 GLY HAx 1.0 . 5.34 1996 1520 A 56 GLY HAy A 39 LYS HDx 1.0 . 5.34 1997 1520 A 39 LYS HDy A 56 GLY HAy 1.0 . 5.34 1998 1521 A 52 ASN HD2y A 40 THR HA 1.0 . 3.93 1999 1521 A 52 ASN HD2x A 40 THR HA 1.0 . 3.93 2000 1522 A 40 THR HB A 52 ASN HD2y 1.0 . 3.52 2001 1522 A 40 THR HB A 52 ASN HD2x 1.0 . 3.52 2002 1523 A 40 THR HG2% A 52 ASN HD2y 1.0 . 3.82 2003 1523 A 40 THR HG2% A 52 ASN HD2x 1.0 . 3.82 2004 1524 A 40 THR HG2% A 55 LYS HGy 1.0 . 3.85 2005 1524 A 40 THR HG2% A 55 LYS HGx 1.0 . 3.85 2006 1525 A 40 THR HG2% A 57 ILE HG1y 1.0 . 4.73 2007 1525 A 40 THR HG2% A 57 ILE HG1x 1.0 . 4.73 2008 1526 A 41 GLY H A 52 ASN HD2y 1.0 . 3.93 2009 1526 A 41 GLY H A 52 ASN HD2x 1.0 . 3.93 2010 1527 A 52 ASN HD2y A 41 GLY HAy 1.0 . 4.76 2011 1527 A 52 ASN HD2x A 41 GLY HAy 1.0 . 4.76 2012 1528 A 52 ASN HD2y A 41 GLY HAx 1.0 . 4.81 2013 1528 A 52 ASN HD2x A 41 GLY HAx 1.0 . 4.81 2014 1529 A 42 GLN H A 42 GLN HBy 1.0 . 3.52 2015 1529 A 42 GLN H A 42 GLN HBx 1.0 . 3.52 2016 1530 A 42 GLN H A 42 GLN HGy 1.0 . 3.42 2017 1530 A 42 GLN H A 42 GLN HGx 1.0 . 3.42 2018 1531 A 42 GLN HA A 42 GLN HGy 1.0 . 3.37 2019 1531 A 42 GLN HA A 42 GLN HGx 1.0 . 3.37 2020 1532 A 43 ALA H A 42 GLN HBy 1.0 . 4.44 2021 1532 A 43 ALA H A 42 GLN HBx 1.0 . 4.44 2022 1533 A 43 ALA H A 42 GLN HGy 1.0 . 4.47 2023 1533 A 43 ALA H A 42 GLN HGx 1.0 . 4.47 2024 1534 A 42 GLN HE2y A 53 LYS HGx 1.0 . 4.80 2025 1534 A 53 LYS HGy A 42 GLN HE2y 1.0 . 4.80 2026 1534 A 53 LYS HGy A 42 GLN HE2x 1.0 . 4.80 2027 1534 A 42 GLN HE2x A 53 LYS HGx 1.0 . 4.80 2028 1535 A 43 ALA HA A 44 PRO HDy 1.0 . 2.72 2029 1535 A 43 ALA HA A 44 PRO HDx 1.0 . 2.72 2030 1536 A 43 ALA HB% A 44 PRO HDy 1.0 . 3.63 2031 1536 A 43 ALA HB% A 44 PRO HDx 1.0 . 3.63 2032 1537 A 43 ALA HB% A 46 TYR HBy 1.0 . 4.38 2033 1537 A 43 ALA HB% A 46 TYR HBx 1.0 . 4.38 2034 1538 A 46 TYR H A 46 TYR HBy 1.0 . 3.18 2035 1538 A 46 TYR H A 46 TYR HBx 1.0 . 3.18 2036 1539 A 48 TYR H A 47 SER HBx 1.0 . 3.68 2037 1539 A 48 TYR H A 47 SER HBy 1.0 . 3.68 2038 1540 A 48 TYR HA A 79 LYS HEy 1.0 . 4.11 2039 1540 A 48 TYR HA A 79 LYS HEx 1.0 . 4.11 2040 1541 A 49 THR H A 79 LYS HEy 1.0 . 4.61 2041 1541 A 49 THR H A 79 LYS HEx 1.0 . 4.61 2042 1542 A 49 THR HA A 79 LYS HGy 1.0 . 5.34 2043 1542 A 49 THR HA A 79 LYS HGx 1.0 . 5.34 2044 1543 A 49 THR HG2% A 79 LYS HGy 1.0 . 3.24 2045 1543 A 49 THR HG2% A 79 LYS HGx 1.0 . 3.24 2046 1544 A 49 THR HG2% A 79 LYS HEy 1.0 . 4.05 2047 1544 A 49 THR HG2% A 79 LYS HEx 1.0 . 4.05 2048 1545 A 50 ALA HA A 54 ASN HD2x 1.0 . 5.18 2049 1545 A 50 ALA HA A 54 ASN HD2y 1.0 . 5.18 2050 1546 A 50 ALA HB% A 54 ASN HD2x 1.0 . 4.07 2051 1546 A 50 ALA HB% A 54 ASN HD2y 1.0 . 4.07 2052 1547 A 51 ALA HA A 54 ASN HBy 1.0 . 4.01 2053 1547 A 51 ALA HA A 54 ASN HBx 1.0 . 4.01 2054 1548 A 51 ALA HB% A 77 GLY HAy 1.0 . 3.69 2055 1548 A 51 ALA HB% A 77 GLY HAx 1.0 . 3.69 2056 1549 A 53 LYS H A 52 ASN HD2y 1.0 . 4.76 2057 1549 A 53 LYS H A 52 ASN HD2x 1.0 . 4.76 2058 1550 A 52 ASN HD2y A 53 LYS HA 1.0 . 4.49 2059 1550 A 52 ASN HD2x A 53 LYS HA 1.0 . 4.49 2060 1551 A 75 ILE HD1% A 52 ASN HD2y 1.0 . 4.00 2061 1551 A 75 ILE HD1% A 52 ASN HD2x 1.0 . 4.00 2062 1552 A 54 ASN H A 54 ASN HBy 1.0 . 3.14 2063 1552 A 54 ASN H A 54 ASN HBx 1.0 . 3.14 2064 1553 A 54 ASN HBy A 54 ASN HD2x 1.0 . 3.27 2065 1553 A 54 ASN HBx A 54 ASN HD2x 1.0 . 3.27 2066 1553 A 54 ASN HD2y A 54 ASN HBy 1.0 . 3.27 2067 1553 A 54 ASN HD2y A 54 ASN HBx 1.0 . 3.27 2068 1554 A 55 LYS H A 54 ASN HBy 1.0 . 4.00 2069 1554 A 55 LYS H A 54 ASN HBx 1.0 . 4.00 2070 1555 A 55 LYS H A 55 LYS HDx 1.0 . 4.71 2071 1555 A 55 LYS H A 55 LYS HDy 1.0 . 4.71 2072 1556 A 55 LYS HA A 55 LYS HGy 1.0 . 3.67 2073 1556 A 55 LYS HA A 55 LYS HGx 1.0 . 3.67 2074 1557 A 55 LYS HA A 55 LYS HDx 1.0 . 3.53 2075 1557 A 55 LYS HA A 55 LYS HDy 1.0 . 3.53 2076 1558 A 55 LYS HA A 55 LYS HEy 1.0 . 4.99 2077 1558 A 55 LYS HA A 55 LYS HEx 1.0 . 4.99 2078 1559 A 55 LYS HBx A 55 LYS HDx 1.0 . 2.57 2079 1559 A 55 LYS HBy A 55 LYS HDx 1.0 . 2.57 2080 1559 A 55 LYS HDy A 55 LYS HBx 1.0 . 2.57 2081 1559 A 55 LYS HBy A 55 LYS HDy 1.0 . 2.57 2082 1560 A 55 LYS HBx A 57 ILE HG1y 1.0 . 4.66 2083 1560 A 55 LYS HBy A 57 ILE HG1y 1.0 . 4.66 2084 1560 A 57 ILE HG1x A 55 LYS HBx 1.0 . 4.66 2085 1560 A 55 LYS HBy A 57 ILE HG1x 1.0 . 4.66 2086 1561 A 55 LYS HEx A 55 LYS HGy 1.0 . 3.21 2087 1561 A 55 LYS HEy A 55 LYS HGy 1.0 . 3.21 2088 1561 A 55 LYS HGx A 55 LYS HEy 1.0 . 3.21 2089 1561 A 55 LYS HGx A 55 LYS HEx 1.0 . 3.21 2090 1562 A 57 ILE H A 55 LYS HGy 1.0 . 4.38 2091 1562 A 57 ILE H A 55 LYS HGx 1.0 . 4.38 2092 1563 A 55 LYS HGx A 57 ILE HG1y 1.0 . 4.08 2093 1563 A 55 LYS HGy A 57 ILE HG1y 1.0 . 4.08 2094 1563 A 57 ILE HG1x A 55 LYS HGy 1.0 . 4.08 2095 1563 A 55 LYS HGx A 57 ILE HG1x 1.0 . 4.08 2096 1564 A 74 TYR HE% A 55 LYS HGy 1.0 . 3.49 2097 1564 A 74 TYR HE% A 55 LYS HGx 1.0 . 3.49 2098 1565 A 55 LYS HDy A 55 LYS HEy 1.0 . 2.37 2099 1565 A 55 LYS HDx A 55 LYS HEy 1.0 . 2.37 2100 1565 A 55 LYS HEx A 55 LYS HDx 1.0 . 2.37 2101 1565 A 55 LYS HDy A 55 LYS HEx 1.0 . 2.37 2102 1566 A 57 ILE HG2% A 55 LYS HEy 1.0 . 3.96 2103 1566 A 57 ILE HG2% A 55 LYS HEx 1.0 . 3.96 2104 1567 A 55 LYS HEy A 57 ILE HG1y 1.0 . 3.93 2105 1567 A 55 LYS HEx A 57 ILE HG1y 1.0 . 3.93 2106 1567 A 57 ILE HG1x A 55 LYS HEy 1.0 . 3.93 2107 1567 A 57 ILE HG1x A 55 LYS HEx 1.0 . 3.93 2108 1568 A 74 TYR HD% A 55 LYS HEy 1.0 . 4.12 2109 1568 A 74 TYR HD% A 55 LYS HEx 1.0 . 4.12 2110 1569 A 74 TYR HE% A 55 LYS HEy 1.0 . 3.68 2111 1569 A 74 TYR HE% A 55 LYS HEx 1.0 . 3.68 2112 1570 A 57 ILE HG2% A 56 GLY HAx 1.0 . 4.44 2113 1570 A 57 ILE HG2% A 56 GLY HAy 1.0 . 4.44 2114 1571 A 57 ILE H A 57 ILE HG1y 1.0 . 3.19 2115 1571 A 57 ILE H A 57 ILE HG1x 1.0 . 3.19 2116 1572 A 57 ILE HG2% A 57 ILE HG1y 1.0 . 3.08 2117 1572 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 3.08 2118 1573 A 63 THR HB A 57 ILE HG1y 1.0 . 5.34 2119 1573 A 63 THR HB A 57 ILE HG1x 1.0 . 5.34 2120 1574 A 74 TYR HE% A 57 ILE HG1y 1.0 . 3.63 2121 1574 A 74 TYR HE% A 57 ILE HG1x 1.0 . 3.63 2122 1575 A 58 ILE H A 58 ILE HG1x 1.0 . 3.80 2123 1575 A 58 ILE H A 58 ILE HG1y 1.0 . 3.80 2124 1576 A 58 ILE HA A 58 ILE HG1x 1.0 . 3.69 2125 1576 A 58 ILE HA A 58 ILE HG1y 1.0 . 3.69 2126 1577 A 58 ILE HG2% A 59 TRP HBy 1.0 . 4.89 2127 1577 A 58 ILE HG2% A 59 TRP HBx 1.0 . 4.89 2128 1578 A 59 TRP H A 58 ILE HG1x 1.0 . 4.79 2129 1578 A 59 TRP H A 58 ILE HG1y 1.0 . 4.79 2130 1579 A 59 TRP H A 59 TRP HBy 1.0 . 3.40 2131 1579 A 59 TRP H A 59 TRP HBx 1.0 . 3.40 2132 1580 A 59 TRP HE1 A 59 TRP HBy 1.0 . 4.57 2133 1580 A 59 TRP HE1 A 59 TRP HBx 1.0 . 4.57 2134 1581 A 60 GLY H A 59 TRP HBy 1.0 . 4.41 2135 1581 A 60 GLY H A 59 TRP HBx 1.0 . 4.41 2136 1582 A 64 LEU HDy% A 59 TRP HBy 1.0 . 5.14 2137 1582 A 64 LEU HDy% A 59 TRP HBx 1.0 . 5.14 2138 1583 A 59 TRP HZ3 A 67 TYR HBy 1.0 . 3.75 2139 1583 A 59 TRP HZ3 A 67 TYR HBx 1.0 . 3.75 2140 1584 A 59 TRP HH2 A 67 TYR HBy 1.0 . 4.03 2141 1584 A 59 TRP HH2 A 67 TYR HBx 1.0 . 4.03 2142 1585 A 62 ASP H A 60 GLY HAy 1.0 . 4.50 2143 1585 A 62 ASP H A 60 GLY HAx 1.0 . 4.50 2144 1586 A 63 THR H A 60 GLY HAy 1.0 . 4.93 2145 1586 A 63 THR H A 60 GLY HAx 1.0 . 4.93 2146 1587 A 61 GLU HA A 61 GLU HGy 1.0 . 3.37 2147 1587 A 61 GLU HA A 61 GLU HGx 1.0 . 3.37 2148 1588 A 61 GLU HA A 64 LEU HBy 1.0 . 3.81 2149 1588 A 61 GLU HA A 64 LEU HBx 1.0 . 3.81 2150 1589 A 61 GLU HA A 95 ILE HG1x 1.0 . 5.31 2151 1589 A 61 GLU HA A 95 ILE HG1y 1.0 . 5.31 2152 1590 A 61 GLU HBx A 61 GLU HGy 1.0 . 2.48 2153 1590 A 61 GLU HBy A 61 GLU HGy 1.0 . 2.48 2154 1590 A 61 GLU HGx A 61 GLU HBx 1.0 . 2.48 2155 1590 A 61 GLU HBy A 61 GLU HGx 1.0 . 2.48 2156 1591 A 62 ASP H A 61 GLU HGy 1.0 . 4.71 2157 1591 A 62 ASP H A 61 GLU HGx 1.0 . 4.71 2158 1592 A 95 ILE HG2% A 61 GLU HGy 1.0 . 3.40 2159 1592 A 95 ILE HG2% A 61 GLU HGx 1.0 . 3.40 2160 1593 A 95 ILE HD1% A 61 GLU HGy 1.0 . 5.02 2161 1593 A 95 ILE HD1% A 61 GLU HGx 1.0 . 5.02 2162 1594 A 62 ASP H A 62 ASP HBy 1.0 . 3.09 2163 1594 A 62 ASP H A 62 ASP HBx 1.0 . 3.09 2164 1595 A 62 ASP H A 65 MET HBy 1.0 . 5.34 2165 1595 A 62 ASP H A 65 MET HBx 1.0 . 5.34 2166 1596 A 62 ASP HA A 65 MET HBy 1.0 . 3.68 2167 1596 A 62 ASP HA A 65 MET HBx 1.0 . 3.68 2168 1597 A 63 THR H A 62 ASP HBy 1.0 . 3.42 2169 1597 A 63 THR H A 62 ASP HBx 1.0 . 3.42 2170 1598 A 63 THR HA A 66 GLU HBy 1.0 . 3.70 2171 1598 A 63 THR HA A 66 GLU HBx 1.0 . 3.70 2172 1599 A 64 LEU H A 64 LEU HBy 1.0 . 3.14 2173 1599 A 64 LEU H A 64 LEU HBx 1.0 . 3.14 2174 1600 A 64 LEU HA A 67 TYR HBy 1.0 . 3.19 2175 1600 A 64 LEU HA A 67 TYR HBx 1.0 . 3.19 2176 1601 A 64 LEU HDx% A 64 LEU HBy 1.0 . 3.41 2177 1601 A 64 LEU HDx% A 64 LEU HBx 1.0 . 3.41 2178 1602 A 64 LEU HDy% A 64 LEU HBy 1.0 . 3.30 2179 1602 A 64 LEU HDy% A 64 LEU HBx 1.0 . 3.30 2180 1603 A 65 MET H A 64 LEU HBy 1.0 . 3.56 2181 1603 A 65 MET H A 64 LEU HBx 1.0 . 3.56 2182 1604 A 64 LEU HBx A 67 TYR HBy 1.0 . 4.90 2183 1604 A 64 LEU HBy A 67 TYR HBy 1.0 . 4.90 2184 1604 A 67 TYR HBx A 64 LEU HBy 1.0 . 4.90 2185 1604 A 67 TYR HBx A 64 LEU HBx 1.0 . 4.90 2186 1605 A 64 LEU HDx% A 68 LEU HDy% 1.0 . 4.14 2187 1605 A 64 LEU HDx% A 68 LEU HDx% 1.0 . 4.14 2188 1606 A 64 LEU HDy% A 67 TYR HBy 1.0 . 3.90 2189 1606 A 64 LEU HDy% A 67 TYR HBx 1.0 . 3.90 2190 1607 A 64 LEU HDy% A 68 LEU HDy% 1.0 . 4.32 2191 1607 A 64 LEU HDy% A 68 LEU HDx% 1.0 . 4.32 2192 1608 A 65 MET H A 65 MET HGy 1.0 . 4.09 2193 1608 A 65 MET H A 65 MET HGx 1.0 . 4.09 2194 1609 A 65 MET HA A 65 MET HGy 1.0 . 3.70 2195 1609 A 65 MET HA A 65 MET HGx 1.0 . 3.70 2196 1610 A 65 MET HA A 68 LEU HDy% 1.0 . 4.66 2197 1610 A 65 MET HA A 68 LEU HDx% 1.0 . 4.66 2198 1611 A 65 MET HA A 91 ARG HGx 1.0 . 5.07 2199 1611 A 65 MET HA A 91 ARG HGy 1.0 . 5.07 2200 1612 A 65 MET HA A 91 ARG HDy 1.0 . 3.86 2201 1612 A 65 MET HA A 91 ARG HDx 1.0 . 3.86 2202 1613 A 65 MET HA A 95 ILE HG1x 1.0 . 5.34 2203 1613 A 65 MET HA A 95 ILE HG1y 1.0 . 5.34 2204 1614 A 65 MET HE% A 65 MET HBy 1.0 . 3.70 2205 1614 A 65 MET HE% A 65 MET HBx 1.0 . 3.70 2206 1615 A 66 GLU H A 65 MET HBy 1.0 . 3.31 2207 1615 A 66 GLU H A 65 MET HBx 1.0 . 3.31 2208 1616 A 95 ILE HD1% A 65 MET HBy 1.0 . 4.71 2209 1616 A 95 ILE HD1% A 65 MET HBx 1.0 . 4.71 2210 1617 A 65 MET HE% A 65 MET HGy 1.0 . 3.56 2211 1617 A 65 MET HE% A 65 MET HGx 1.0 . 3.56 2212 1618 A 66 GLU H A 65 MET HGy 1.0 . 4.85 2213 1618 A 66 GLU H A 65 MET HGx 1.0 . 4.85 2214 1619 A 95 ILE HD1% A 65 MET HGy 1.0 . 4.00 2215 1619 A 95 ILE HD1% A 65 MET HGx 1.0 . 4.00 2216 1620 A 65 MET HE% A 91 ARG HDy 1.0 . 4.22 2217 1620 A 65 MET HE% A 91 ARG HDx 1.0 . 4.22 2218 1621 A 66 GLU H A 66 GLU HBy 1.0 . 3.01 2219 1621 A 66 GLU H A 66 GLU HBx 1.0 . 3.01 2220 1622 A 66 GLU H A 66 GLU HGy 1.0 . 3.94 2221 1622 A 66 GLU H A 66 GLU HGx 1.0 . 3.94 2222 1623 A 66 GLU HA A 66 GLU HGy 1.0 . 2.88 2223 1623 A 66 GLU HA A 66 GLU HGx 1.0 . 2.88 2224 1624 A 67 TYR H A 66 GLU HBy 1.0 . 3.63 2225 1624 A 67 TYR H A 66 GLU HBx 1.0 . 3.63 2226 1625 A 67 TYR H A 66 GLU HGy 1.0 . 4.36 2227 1625 A 67 TYR H A 66 GLU HGx 1.0 . 4.36 2228 1626 A 67 TYR HA A 66 GLU HGy 1.0 . 4.46 2229 1626 A 67 TYR HA A 66 GLU HGx 1.0 . 4.46 2230 1627 A 74 TYR HD% A 66 GLU HGy 1.0 . 4.11 2231 1627 A 74 TYR HD% A 66 GLU HGx 1.0 . 4.11 2232 1628 A 67 TYR H A 67 TYR HBy 1.0 . 3.03 2233 1628 A 67 TYR H A 67 TYR HBx 1.0 . 3.03 2234 1629 A 67 TYR HA A 74 TYR HBy 1.0 . 3.70 2235 1629 A 67 TYR HA A 74 TYR HBx 1.0 . 3.70 2236 1630 A 68 LEU H A 67 TYR HBy 1.0 . 3.83 2237 1630 A 68 LEU H A 67 TYR HBx 1.0 . 3.83 2238 1631 A 71 PRO HA A 67 TYR HBy 1.0 . 5.06 2239 1631 A 71 PRO HA A 67 TYR HBx 1.0 . 5.06 2240 1632 A 74 TYR HE% A 67 TYR HBy 1.0 . 4.39 2241 1632 A 74 TYR HE% A 67 TYR HBx 1.0 . 4.39 2242 1633 A 68 LEU HA A 68 LEU HDy% 1.0 . 3.11 2243 1633 A 68 LEU HA A 68 LEU HDx% 1.0 . 3.11 2244 1634 A 91 ARG HA A 68 LEU HDy% 1.0 . 4.54 2245 1634 A 91 ARG HA A 68 LEU HDx% 1.0 . 4.54 2246 1635 A 68 LEU HDy% A 94 LEU HDy% 1.0 . 3.46 2247 1635 A 68 LEU HDx% A 94 LEU HDy% 1.0 . 3.46 2248 1635 A 94 LEU HDx% A 68 LEU HDy% 1.0 . 3.46 2249 1635 A 94 LEU HDx% A 68 LEU HDx% 1.0 . 3.46 2250 1636 A 95 ILE HG2% A 68 LEU HDy% 1.0 . 4.51 2251 1636 A 95 ILE HG2% A 68 LEU HDx% 1.0 . 4.51 2252 1637 A 68 LEU HDy% A 95 ILE HG1x 1.0 . 3.87 2253 1637 A 68 LEU HDx% A 95 ILE HG1x 1.0 . 3.87 2254 1637 A 95 ILE HG1y A 68 LEU HDy% 1.0 . 3.87 2255 1637 A 95 ILE HG1y A 68 LEU HDx% 1.0 . 3.87 2256 1638 A 95 ILE HD1% A 68 LEU HDy% 1.0 . 3.49 2257 1638 A 95 ILE HD1% A 68 LEU HDx% 1.0 . 3.49 2258 1639 A 68 LEU HDx% A 98 LEU HDy% 1.0 . 4.12 2259 1639 A 68 LEU HDy% A 98 LEU HDy% 1.0 . 4.12 2260 1639 A 98 LEU HDx% A 68 LEU HDy% 1.0 . 4.12 2261 1639 A 98 LEU HDx% A 68 LEU HDx% 1.0 . 4.12 2262 1640 A 69 GLU H A 91 ARG HDy 1.0 . 4.03 2263 1640 A 69 GLU H A 91 ARG HDx 1.0 . 4.03 2264 1641 A 69 GLU HA A 91 ARG HDy 1.0 . 3.38 2265 1641 A 69 GLU HA A 91 ARG HDx 1.0 . 3.38 2266 1642 A 70 ASN H A 69 GLU HBy 1.0 . 3.46 2267 1642 A 70 ASN H A 69 GLU HBx 1.0 . 3.46 2268 1643 A 69 GLU HGx A 70 ASN HBy 1.0 . 4.02 2269 1643 A 69 GLU HGy A 70 ASN HBy 1.0 . 4.02 2270 1643 A 70 ASN HBx A 69 GLU HGx 1.0 . 4.02 2271 1643 A 69 GLU HGy A 70 ASN HBx 1.0 . 4.02 2272 1644 A 69 GLU HGx A 70 ASN HD2x 1.0 . 4.51 2273 1644 A 69 GLU HGy A 70 ASN HD2x 1.0 . 4.51 2274 1644 A 70 ASN HD2y A 69 GLU HGx 1.0 . 4.51 2275 1644 A 69 GLU HGy A 70 ASN HD2y 1.0 . 4.51 2276 1645 A 70 ASN H A 70 ASN HBy 1.0 . 3.49 2277 1645 A 70 ASN H A 70 ASN HBx 1.0 . 3.49 2278 1646 A 70 ASN H A 84 GLY HAx 1.0 . 5.02 2279 1646 A 70 ASN H A 84 GLY HAy 1.0 . 5.02 2280 1647 A 70 ASN HA A 84 GLY HAx 1.0 . 4.17 2281 1647 A 70 ASN HA A 84 GLY HAy 1.0 . 4.17 2282 1648 A 71 PRO HDx A 70 ASN HBy 1.0 . 4.48 2283 1648 A 71 PRO HDx A 70 ASN HBx 1.0 . 4.48 2284 1649 A 71 PRO HDy A 70 ASN HBy 1.0 . 4.73 2285 1649 A 71 PRO HDy A 70 ASN HBx 1.0 . 4.73 2286 1650 A 73 LYS H A 70 ASN HBy 1.0 . 4.55 2287 1650 A 73 LYS H A 70 ASN HBx 1.0 . 4.55 2288 1651 A 70 ASN HBy A 73 LYS HBx 1.0 . 3.65 2289 1651 A 70 ASN HBx A 73 LYS HBx 1.0 . 3.65 2290 1651 A 73 LYS HBy A 70 ASN HBy 1.0 . 3.65 2291 1651 A 73 LYS HBy A 70 ASN HBx 1.0 . 3.65 2292 1652 A 70 ASN HBy A 73 LYS HDy 1.0 . 4.01 2293 1652 A 70 ASN HBx A 73 LYS HDy 1.0 . 4.01 2294 1652 A 73 LYS HDx A 70 ASN HBy 1.0 . 4.01 2295 1652 A 70 ASN HBx A 73 LYS HDx 1.0 . 4.01 2296 1653 A 70 ASN HD2x A 73 LYS HDy 1.0 . 5.18 2297 1653 A 70 ASN HD2y A 73 LYS HDy 1.0 . 5.18 2298 1653 A 73 LYS HDx A 70 ASN HD2x 1.0 . 5.18 2299 1653 A 70 ASN HD2y A 73 LYS HDx 1.0 . 5.18 2300 1654 A 71 PRO HA A 74 TYR HBy 1.0 . 3.81 2301 1654 A 71 PRO HA A 74 TYR HBx 1.0 . 3.81 2302 1655 A 72 LYS H A 71 PRO HBy 1.0 . 3.81 2303 1655 A 72 LYS H A 71 PRO HBx 1.0 . 3.81 2304 1656 A 71 PRO HDx A 84 GLY HAx 1.0 . 4.61 2305 1656 A 71 PRO HDx A 84 GLY HAy 1.0 . 4.61 2306 1657 A 71 PRO HDy A 84 GLY HAx 1.0 . 3.94 2307 1657 A 71 PRO HDy A 84 GLY HAy 1.0 . 3.94 2308 1658 A 72 LYS HBy A 72 LYS HEx 1.0 . 2.79 2309 1658 A 72 LYS HBx A 72 LYS HEx 1.0 . 2.79 2310 1658 A 72 LYS HEy A 72 LYS HBy 1.0 . 2.79 2311 1658 A 72 LYS HEy A 72 LYS HBx 1.0 . 2.79 2312 1659 A 73 LYS H A 72 LYS HBy 1.0 . 4.04 2313 1659 A 73 LYS H A 72 LYS HBx 1.0 . 4.04 2314 1660 A 73 LYS H A 74 TYR HBy 1.0 . 4.43 2315 1660 A 73 LYS H A 74 TYR HBx 1.0 . 4.43 2316 1661 A 73 LYS HA A 73 LYS HDy 1.0 . 4.67 2317 1661 A 73 LYS HA A 73 LYS HDx 1.0 . 4.67 2318 1662 A 73 LYS HDx A 73 LYS HGy 1.0 . 2.35 2319 1662 A 73 LYS HDy A 73 LYS HGy 1.0 . 2.35 2320 1662 A 73 LYS HGx A 73 LYS HDy 1.0 . 2.35 2321 1662 A 73 LYS HDx A 73 LYS HGx 1.0 . 2.35 2322 1663 A 73 LYS HEy A 73 LYS HGy 1.0 . 3.12 2323 1663 A 73 LYS HEx A 73 LYS HGy 1.0 . 3.12 2324 1663 A 73 LYS HGx A 73 LYS HEx 1.0 . 3.12 2325 1663 A 73 LYS HEy A 73 LYS HGx 1.0 . 3.12 2326 1664 A 74 TYR H A 73 LYS HGy 1.0 . 5.09 2327 1664 A 74 TYR H A 73 LYS HGx 1.0 . 5.09 2328 1665 A 74 TYR H A 73 LYS HDy 1.0 . 4.44 2329 1665 A 74 TYR H A 73 LYS HDx 1.0 . 4.44 2330 1666 A 74 TYR H A 74 TYR HBy 1.0 . 3.06 2331 1666 A 74 TYR H A 74 TYR HBx 1.0 . 3.06 2332 1667 A 75 ILE H A 74 TYR HBy 1.0 . 3.44 2333 1667 A 75 ILE H A 74 TYR HBx 1.0 . 3.44 2334 1668 A 74 TYR HBx A 75 ILE HG1x 1.0 . 4.34 2335 1668 A 74 TYR HBy A 75 ILE HG1x 1.0 . 4.34 2336 1668 A 75 ILE HG1y A 74 TYR HBy 1.0 . 4.34 2337 1668 A 74 TYR HBx A 75 ILE HG1y 1.0 . 4.34 2338 1669 A 74 TYR HD% A 75 ILE HG1x 1.0 . 3.08 2339 1669 A 74 TYR HD% A 75 ILE HG1y 1.0 . 3.08 2340 1670 A 75 ILE H A 75 ILE HG1x 1.0 . 3.76 2341 1670 A 75 ILE H A 75 ILE HG1y 1.0 . 3.76 2342 1671 A 75 ILE H A 76 PRO HDy 1.0 . 3.87 2343 1671 A 75 ILE H A 76 PRO HDx 1.0 . 3.87 2344 1672 A 75 ILE HG2% A 75 ILE HG1x 1.0 . 3.24 2345 1672 A 75 ILE HG2% A 75 ILE HG1y 1.0 . 3.24 2346 1673 A 75 ILE HG2% A 76 PRO HDy 1.0 . 4.17 2347 1673 A 75 ILE HG2% A 76 PRO HDx 1.0 . 4.17 2348 1674 A 76 PRO HA A 77 GLY HAy 1.0 . 4.40 2349 1674 A 76 PRO HA A 77 GLY HAx 1.0 . 4.40 2350 1675 A 78 THR HA A 79 LYS HGy 1.0 . 4.66 2351 1675 A 78 THR HA A 79 LYS HGx 1.0 . 4.66 2352 1676 A 79 LYS H A 79 LYS HBy 1.0 . 3.49 2353 1676 A 79 LYS H A 79 LYS HBx 1.0 . 3.49 2354 1677 A 79 LYS H A 79 LYS HGy 1.0 . 3.69 2355 1677 A 79 LYS H A 79 LYS HGx 1.0 . 3.69 2356 1678 A 79 LYS HBy A 79 LYS HDy 1.0 . 2.98 2357 1678 A 79 LYS HBx A 79 LYS HDy 1.0 . 2.98 2358 1678 A 79 LYS HDx A 79 LYS HBy 1.0 . 2.98 2359 1678 A 79 LYS HBx A 79 LYS HDx 1.0 . 2.98 2360 1679 A 79 LYS HBy A 79 LYS HEy 1.0 . 3.65 2361 1679 A 79 LYS HBx A 79 LYS HEy 1.0 . 3.65 2362 1679 A 79 LYS HEx A 79 LYS HBy 1.0 . 3.65 2363 1679 A 79 LYS HEx A 79 LYS HBx 1.0 . 3.65 2364 1680 A 79 LYS HEy A 79 LYS HGy 1.0 . 3.35 2365 1680 A 79 LYS HEx A 79 LYS HGy 1.0 . 3.35 2366 1680 A 79 LYS HGx A 79 LYS HEy 1.0 . 3.35 2367 1680 A 79 LYS HEx A 79 LYS HGx 1.0 . 3.35 2368 1681 A 82 PHE HD% A 85 ILE HG1x 1.0 . 4.84 2369 1681 A 82 PHE HD% A 85 ILE HG1y 1.0 . 4.84 2370 1682 A 82 PHE HE% A 84 GLY HAx 1.0 . 3.82 2371 1682 A 82 PHE HE% A 84 GLY HAy 1.0 . 3.82 2372 1683 A 82 PHE HE% A 85 ILE HG1x 1.0 . 3.91 2373 1683 A 82 PHE HE% A 85 ILE HG1y 1.0 . 3.91 2374 1684 A 82 PHE HZ A 85 ILE HG1x 1.0 . 3.54 2375 1684 A 82 PHE HZ A 85 ILE HG1y 1.0 . 3.54 2376 1685 A 85 ILE H A 84 GLY HAx 1.0 . 3.11 2377 1685 A 85 ILE H A 84 GLY HAy 1.0 . 3.11 2378 1686 A 85 ILE H A 85 ILE HG1x 1.0 . 3.98 2379 1686 A 85 ILE H A 85 ILE HG1y 1.0 . 3.98 2380 1687 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.32 2381 1687 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.32 2382 1688 A 85 ILE HB A 91 ARG HGx 1.0 . 4.31 2383 1688 A 85 ILE HB A 91 ARG HGy 1.0 . 4.31 2384 1689 A 85 ILE HB A 91 ARG HDy 1.0 . 4.56 2385 1689 A 85 ILE HB A 91 ARG HDx 1.0 . 4.56 2386 1690 A 85 ILE HG2% A 85 ILE HG1x 1.0 . 3.28 2387 1690 A 85 ILE HG2% A 85 ILE HG1y 1.0 . 3.28 2388 1691 A 85 ILE HG2% A 91 ARG HGx 1.0 . 3.53 2389 1691 A 85 ILE HG2% A 91 ARG HGy 1.0 . 3.53 2390 1692 A 85 ILE HG2% A 91 ARG HDy 1.0 . 4.53 2391 1692 A 85 ILE HG2% A 91 ARG HDx 1.0 . 4.53 2392 1693 A 85 ILE HG1x A 91 ARG HGx 1.0 . 4.92 2393 1693 A 85 ILE HG1y A 91 ARG HGx 1.0 . 4.92 2394 1693 A 91 ARG HGy A 85 ILE HG1x 1.0 . 4.92 2395 1693 A 91 ARG HGy A 85 ILE HG1y 1.0 . 4.92 2396 1694 A 85 ILE HD1% A 90 GLU HBy 1.0 . 4.75 2397 1694 A 85 ILE HD1% A 90 GLU HBx 1.0 . 4.75 2398 1695 A 85 ILE HD1% A 91 ARG HGx 1.0 . 4.75 2399 1695 A 85 ILE HD1% A 91 ARG HGy 1.0 . 4.75 2400 1696 A 86 LYS HA A 86 LYS HGy 1.0 . 3.42 2401 1696 A 86 LYS HA A 86 LYS HGx 1.0 . 3.42 2402 1697 A 86 LYS HDy A 86 LYS HGy 1.0 . 2.46 2403 1697 A 86 LYS HDx A 86 LYS HGy 1.0 . 2.46 2404 1697 A 86 LYS HGx A 86 LYS HDx 1.0 . 2.46 2405 1697 A 86 LYS HDy A 86 LYS HGx 1.0 . 2.46 2406 1698 A 87 LYS H A 87 LYS HGy 1.0 . 3.31 2407 1698 A 87 LYS H A 87 LYS HGx 1.0 . 3.31 2408 1699 A 87 LYS HA A 87 LYS HGy 1.0 . 3.22 2409 1699 A 87 LYS HA A 87 LYS HGx 1.0 . 3.22 2410 1700 A 87 LYS HBy A 87 LYS HGy 1.0 . 2.24 2411 1700 A 87 LYS HGx A 87 LYS HBy 1.0 . 2.24 2412 1700 A 87 LYS HGx A 87 LYS HBx 1.0 . 2.24 2413 1700 A 87 LYS HBx A 87 LYS HGy 1.0 . 2.24 2414 1701 A 89 GLU H A 87 LYS HBy 1.0 . 4.60 2415 1701 A 89 GLU H A 87 LYS HBx 1.0 . 4.60 2416 1702 A 90 GLU H A 87 LYS HBy 1.0 . 4.65 2417 1702 A 90 GLU H A 87 LYS HBx 1.0 . 4.65 2418 1703 A 87 LYS HDx A 87 LYS HGy 1.0 . 2.49 2419 1703 A 87 LYS HDy A 87 LYS HGy 1.0 . 2.49 2420 1703 A 87 LYS HGx A 87 LYS HDx 1.0 . 2.49 2421 1703 A 87 LYS HDy A 87 LYS HGx 1.0 . 2.49 2422 1704 A 87 LYS HEy A 87 LYS HGy 1.0 . 2.98 2423 1704 A 87 LYS HEx A 87 LYS HGy 1.0 . 2.98 2424 1704 A 87 LYS HGx A 87 LYS HEx 1.0 . 2.98 2425 1704 A 87 LYS HEy A 87 LYS HGx 1.0 . 2.98 2426 1705 A 88 LYS HA A 88 LYS HGy 1.0 . 3.55 2427 1705 A 88 LYS HA A 88 LYS HGx 1.0 . 3.55 2428 1706 A 88 LYS HA A 91 ARG HBx 1.0 . 4.70 2429 1706 A 88 LYS HA A 91 ARG HBy 1.0 . 4.70 2430 1707 A 88 LYS HBx A 88 LYS HGy 1.0 . 2.38 2431 1707 A 88 LYS HBy A 88 LYS HGy 1.0 . 2.38 2432 1707 A 88 LYS HGx A 88 LYS HBy 1.0 . 2.38 2433 1707 A 88 LYS HGx A 88 LYS HBx 1.0 . 2.38 2434 1708 A 88 LYS HBx A 88 LYS HEx 1.0 . 4.50 2435 1708 A 88 LYS HEy A 88 LYS HBy 1.0 . 4.50 2436 1708 A 88 LYS HEy A 88 LYS HBx 1.0 . 4.50 2437 1708 A 88 LYS HBy A 88 LYS HEx 1.0 . 4.50 2438 1709 A 89 GLU H A 88 LYS HBy 1.0 . 3.81 2439 1709 A 89 GLU H A 88 LYS HBx 1.0 . 3.81 2440 1710 A 88 LYS HEy A 88 LYS HGy 1.0 . 3.20 2441 1710 A 88 LYS HGx A 88 LYS HEx 1.0 . 3.20 2442 1710 A 88 LYS HEy A 88 LYS HGx 1.0 . 3.20 2443 1710 A 88 LYS HEx A 88 LYS HGy 1.0 . 3.20 2444 1711 A 89 GLU H A 88 LYS HGy 1.0 . 4.13 2445 1711 A 89 GLU H A 88 LYS HGx 1.0 . 4.13 2446 1712 A 89 GLU HA A 89 GLU HGy 1.0 . 3.06 2447 1712 A 89 GLU HA A 89 GLU HGx 1.0 . 3.06 2448 1713 A 90 GLU H A 89 GLU HGy 1.0 . 4.56 2449 1713 A 90 GLU H A 89 GLU HGx 1.0 . 4.56 2450 1714 A 92 ALA HB% A 89 GLU HGy 1.0 . 4.41 2451 1714 A 92 ALA HB% A 89 GLU HGx 1.0 . 4.41 2452 1715 A 90 GLU H A 90 GLU HBy 1.0 . 3.11 2453 1715 A 90 GLU H A 90 GLU HBx 1.0 . 3.11 2454 1716 A 90 GLU H A 91 ARG HBx 1.0 . 4.86 2455 1716 A 90 GLU H A 91 ARG HBy 1.0 . 4.86 2456 1717 A 91 ARG H A 90 GLU HBy 1.0 . 3.47 2457 1717 A 91 ARG H A 90 GLU HBx 1.0 . 3.47 2458 1718 A 91 ARG H A 91 ARG HBx 1.0 . 3.36 2459 1718 A 91 ARG H A 91 ARG HBy 1.0 . 3.36 2460 1719 A 91 ARG HA A 91 ARG HGx 1.0 . 3.32 2461 1719 A 91 ARG HA A 91 ARG HGy 1.0 . 3.32 2462 1720 A 91 ARG HA A 94 LEU HDy% 1.0 . 4.42 2463 1720 A 91 ARG HA A 94 LEU HDx% 1.0 . 4.42 2464 1721 A 91 ARG HBx A 91 ARG HDy 1.0 . 3.32 2465 1721 A 91 ARG HDx A 91 ARG HBx 1.0 . 3.32 2466 1721 A 91 ARG HDx A 91 ARG HBy 1.0 . 3.32 2467 1721 A 91 ARG HBy A 91 ARG HDy 1.0 . 3.32 2468 1722 A 91 ARG HE A 91 ARG HBx 1.0 . 4.19 2469 1722 A 91 ARG HE A 91 ARG HBy 1.0 . 4.19 2470 1723 A 92 ALA H A 91 ARG HBx 1.0 . 4.06 2471 1723 A 92 ALA H A 91 ARG HBy 1.0 . 4.06 2472 1724 A 93 ASP H A 91 ARG HBx 1.0 . 5.34 2473 1724 A 93 ASP H A 91 ARG HBy 1.0 . 5.34 2474 1725 A 94 LEU H A 94 LEU HDy% 1.0 . 4.09 2475 1725 A 94 LEU H A 94 LEU HDx% 1.0 . 4.09 2476 1726 A 94 LEU HA A 94 LEU HDy% 1.0 . 3.14 2477 1726 A 94 LEU HA A 94 LEU HDx% 1.0 . 3.14 2478 1727 A 94 LEU HA A 97 TYR HBy 1.0 . 3.82 2479 1727 A 94 LEU HA A 97 TYR HBx 1.0 . 3.82 2480 1728 A 94 LEU HBy A 94 LEU HDy% 1.0 . 2.96 2481 1728 A 94 LEU HBy A 94 LEU HDx% 1.0 . 2.96 2482 1729 A 94 LEU HG A 98 LEU HDy% 1.0 . 4.41 2483 1729 A 94 LEU HG A 98 LEU HDx% 1.0 . 4.41 2484 1730 A 95 ILE H A 94 LEU HDy% 1.0 . 4.03 2485 1730 A 95 ILE H A 94 LEU HDx% 1.0 . 4.03 2486 1731 A 97 TYR HDy A 94 LEU HDy% 1.0 . 3.89 2487 1731 A 97 TYR HDy A 94 LEU HDx% 1.0 . 3.89 2488 1732 A 98 LEU H A 94 LEU HDy% 1.0 . 4.42 2489 1732 A 98 LEU H A 94 LEU HDx% 1.0 . 4.42 2490 1733 A 94 LEU HDx% A 98 LEU HBy 1.0 . 4.26 2491 1733 A 94 LEU HDy% A 98 LEU HBy 1.0 . 4.26 2492 1733 A 98 LEU HBx A 94 LEU HDy% 1.0 . 4.26 2493 1733 A 94 LEU HDx% A 98 LEU HBx 1.0 . 4.26 2494 1734 A 98 LEU HG A 94 LEU HDy% 1.0 . 3.52 2495 1734 A 98 LEU HG A 94 LEU HDx% 1.0 . 3.52 2496 1735 A 95 ILE H A 95 ILE HG1x 1.0 . 3.37 2497 1735 A 95 ILE H A 95 ILE HG1y 1.0 . 3.37 2498 1736 A 95 ILE HA A 98 LEU HBy 1.0 . 3.38 2499 1736 A 95 ILE HA A 98 LEU HBx 1.0 . 3.38 2500 1737 A 95 ILE HA A 98 LEU HDy% 1.0 . 3.67 2501 1737 A 95 ILE HA A 98 LEU HDx% 1.0 . 3.67 2502 1738 A 95 ILE HG2% A 95 ILE HG1x 1.0 . 2.84 2503 1738 A 95 ILE HG2% A 95 ILE HG1y 1.0 . 2.84 2504 1739 A 96 ALA HA A 99 LYS HBy 1.0 . 4.07 2505 1739 A 96 ALA HA A 99 LYS HBx 1.0 . 4.07 2506 1740 A 97 TYR H A 97 TYR HBy 1.0 . 3.21 2507 1740 A 97 TYR H A 97 TYR HBx 1.0 . 3.21 2508 1741 A 97 TYR H A 98 LEU HDy% 1.0 . 5.44 2509 1741 A 97 TYR H A 98 LEU HDx% 1.0 . 5.44 2510 1742 A 97 TYR HDy A 97 TYR HBy 1.0 . 3.17 2511 1742 A 97 TYR HDy A 97 TYR HBx 1.0 . 3.17 2512 1743 A 98 LEU H A 97 TYR HBy 1.0 . 3.54 2513 1743 A 98 LEU H A 97 TYR HBx 1.0 . 3.54 2514 1744 A 97 TYR HDy A 98 LEU HDy% 1.0 . 3.96 2515 1744 A 97 TYR HDy A 98 LEU HDx% 1.0 . 3.96 2516 1745 A 97 TYR HEy A 98 LEU HDy% 1.0 . 4.07 2517 1745 A 97 TYR HEy A 98 LEU HDx% 1.0 . 4.07 2518 1746 A 97 TYR HEx A 98 LEU HDy% 1.0 . 5.28 2519 1746 A 97 TYR HEx A 98 LEU HDx% 1.0 . 5.28 2520 1747 A 98 LEU H A 98 LEU HBy 1.0 . 3.23 2521 1747 A 98 LEU H A 98 LEU HBx 1.0 . 3.23 2522 1748 A 98 LEU H A 98 LEU HDy% 1.0 . 3.87 2523 1748 A 98 LEU H A 98 LEU HDx% 1.0 . 3.87 2524 1749 A 98 LEU HA A 98 LEU HDy% 1.0 . 3.04 2525 1749 A 98 LEU HA A 98 LEU HDx% 1.0 . 3.04 2526 1750 A 98 LEU HBy A 98 LEU HDy% 1.0 . 2.87 2527 1750 A 98 LEU HBx A 98 LEU HDy% 1.0 . 2.87 2528 1750 A 98 LEU HDx% A 98 LEU HBy 1.0 . 2.87 2529 1750 A 98 LEU HDx% A 98 LEU HBx 1.0 . 2.87 2530 1751 A 99 LYS H A 98 LEU HBy 1.0 . 3.55 2531 1751 A 99 LYS H A 98 LEU HBx 1.0 . 3.55 2532 1752 A 100 LYS H A 98 LEU HBy 1.0 . 5.34 2533 1752 A 100 LYS H A 98 LEU HBx 1.0 . 5.34 2534 1753 A 99 LYS H A 98 LEU HDy% 1.0 . 4.90 2535 1753 A 99 LYS H A 98 LEU HDx% 1.0 . 4.90 2536 1754 A 102 THR H A 98 LEU HDy% 1.0 . 5.44 2537 1754 A 102 THR H A 98 LEU HDx% 1.0 . 5.44 2538 1755 A 102 THR HG2% A 98 LEU HDy% 1.0 . 3.67 2539 1755 A 102 THR HG2% A 98 LEU HDx% 1.0 . 3.67 2540 1756 A 99 LYS H A 99 LYS HBy 1.0 . 3.05 2541 1756 A 99 LYS H A 99 LYS HBx 1.0 . 3.05 2542 1757 A 99 LYS H A 99 LYS HGy 1.0 . 4.52 2543 1757 A 99 LYS H A 99 LYS HGx 1.0 . 4.52 2544 1758 A 99 LYS HA A 99 LYS HGy 1.0 . 3.26 2545 1758 A 99 LYS HA A 99 LYS HGx 1.0 . 3.26 2546 1759 A 99 LYS HBy A 99 LYS HDy 1.0 . 2.34 2547 1759 A 99 LYS HBx A 99 LYS HDy 1.0 . 2.34 2548 1759 A 99 LYS HDx A 99 LYS HBy 1.0 . 2.34 2549 1759 A 99 LYS HBx A 99 LYS HDx 1.0 . 2.34 2550 1760 A 99 LYS HBy A 99 LYS HEx 1.0 . 3.93 2551 1760 A 99 LYS HBx A 99 LYS HEx 1.0 . 3.93 2552 1760 A 99 LYS HEy A 99 LYS HBy 1.0 . 3.93 2553 1760 A 99 LYS HEy A 99 LYS HBx 1.0 . 3.93 2554 1761 A 100 LYS H A 99 LYS HBy 1.0 . 3.65 2555 1761 A 100 LYS H A 99 LYS HBx 1.0 . 3.65 2556 1762 A 100 LYS HA A 99 LYS HBy 1.0 . 4.74 2557 1762 A 100 LYS HA A 99 LYS HBx 1.0 . 4.74 2558 1763 A 99 LYS HEx A 99 LYS HGy 1.0 . 3.42 2559 1763 A 99 LYS HEy A 99 LYS HGy 1.0 . 3.42 2560 1763 A 99 LYS HGx A 99 LYS HEx 1.0 . 3.42 2561 1763 A 99 LYS HEy A 99 LYS HGx 1.0 . 3.42 2562 1764 A 100 LYS H A 99 LYS HGy 1.0 . 4.40 2563 1764 A 100 LYS H A 99 LYS HGx 1.0 . 4.40 2564 1765 A 100 LYS H A 100 LYS HBy 1.0 . 2.92 2565 1765 A 100 LYS H A 100 LYS HBx 1.0 . 2.92 2566 1766 A 100 LYS H A 100 LYS HGy 1.0 . 4.35 2567 1766 A 100 LYS H A 100 LYS HGx 1.0 . 4.35 2568 1767 A 100 LYS H A 100 LYS HDy 1.0 . 4.84 2569 1767 A 100 LYS H A 100 LYS HDx 1.0 . 4.84 2570 1768 A 100 LYS HA A 100 LYS HBy 1.0 . 2.63 2571 1768 A 100 LYS HA A 100 LYS HBx 1.0 . 2.63 2572 1769 A 100 LYS HA A 100 LYS HDy 1.0 . 4.20 2573 1769 A 100 LYS HA A 100 LYS HDx 1.0 . 4.20 2574 1770 A 100 LYS HA A 103 ASN HBy 1.0 . 3.94 2575 1770 A 100 LYS HA A 103 ASN HBx 1.0 . 3.94 2576 1771 A 101 ALA H A 100 LYS HBy 1.0 . 3.26 2577 1771 A 101 ALA H A 100 LYS HBx 1.0 . 3.26 2578 1772 A 100 LYS HDx A 100 LYS HGy 1.0 . 2.33 2579 1772 A 100 LYS HDy A 100 LYS HGy 1.0 . 2.33 2580 1772 A 100 LYS HGx A 100 LYS HDy 1.0 . 2.33 2581 1772 A 100 LYS HDx A 100 LYS HGx 1.0 . 2.33 2582 1773 A 101 ALA H A 100 LYS HGy 1.0 . 4.58 2583 1773 A 101 ALA H A 100 LYS HGx 1.0 . 4.58 2584 1774 A 101 ALA HA A 104 GLU HBy 1.0 . 4.78 2585 1774 A 101 ALA HA A 104 GLU HBx 1.0 . 4.78 2586 1775 A 103 ASN H A 103 ASN HBy 1.0 . 3.36 2587 1775 A 103 ASN H A 103 ASN HBx 1.0 . 3.36 2588 1776 A 104 GLU H A 103 ASN HBy 1.0 . 4.30 2589 1776 A 104 GLU H A 103 ASN HBx 1.0 . 4.30 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type 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 1 GLY C A 2 ASP N A 2 ASP CA A 2 ASP C 1.0 -157.1 -39.1 PHI 2 2 A 2 ASP N A 2 ASP CA A 2 ASP C A 3 VAL N 1.0 78.7 193.2 PSI 3 3 A 2 ASP C A 3 VAL N A 3 VAL CA A 3 VAL C 1.0 -94.0 -21.8 PHI 4 4 A 3 VAL N A 3 VAL CA A 3 VAL C A 4 GLU N 1.0 -81.0 1.5 PSI 5 5 A 3 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -95.4 -28.8 PHI 6 6 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 LYS N 1.0 -76.5 -7.0 PSI 7 7 A 4 GLU C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -97.2 -29.6 PHI 8 8 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 GLY N 1.0 -76.1 -4.6 PSI 9 9 A 5 LYS C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -100.1 -31.6 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 LYS N 1.0 -72.7 -4.1 PSI 11 11 A 6 GLY C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -97.2 -28.6 PHI 12 12 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 LYS N 1.0 -75.4 -4.0 PSI 13 13 A 7 LYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -98.7 -27.3 PHI 14 14 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 ILE N 1.0 -79.2 -0.8 PSI 15 15 A 8 LYS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -100.4 -32.1 PHI 16 16 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 PHE N 1.0 -78.2 -4.5 PSI 17 17 A 9 ILE C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -100.4 -26.3 PHI 18 18 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 ILE N 1.0 -80.0 2.3 PSI 19 19 A 10 PHE C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -98.9 -28.8 PHI 20 20 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 MET N 1.0 -78.9 -6.0 PSI 21 21 A 11 ILE C A 12 MET N A 12 MET CA A 12 MET C 1.0 -115.5 -32.7 PHI 22 22 A 12 MET N A 12 MET CA A 12 MET C A 13 LYS N 1.0 -69.6 10.4 PSI 23 23 A 12 MET C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -141.3 -48.3 PHI 24 24 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 CYS N 1.0 -73.2 31.1 PSI 25 25 A 14 CYS C A 15 SER N A 15 SER CA A 15 SER C 1.0 -95.2 -28.3 PHI 26 26 A 15 SER N A 15 SER CA A 15 SER C A 16 GLN N 1.0 -75.5 4.3 PSI 27 27 A 15 SER C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -112.1 -32.8 PHI 28 28 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 CYS N 1.0 -79.9 4.0 PSI 29 29 A 20 VAL C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -138.9 -24.0 PHI 30 30 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LYS N 1.0 84.5 187.3 PSI 31 31 A 24 GLY C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -146.7 -27.2 PHI 32 32 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 HIS N 1.0 82.0 193.7 PSI 33 33 A 25 LYS C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -131.6 -40.1 PHI 34 34 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 LYS N 1.0 93.8 167.8 PSI 35 35 A 26 HIS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -134.3 -40.5 PHI 36 36 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 THR N 1.0 82.0 194.8 PSI 37 37 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 -116.1 -32.6 PHI 38 38 A 28 THR N A 28 THR CA A 28 THR C A 29 GLY N 1.0 -77.5 0.9 PSI 39 39 A 30 PRO C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -116.1 -35.5 PHI 40 40 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 LEU N 1.0 -67.8 5.1 PSI 41 41 A 33 HIS C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -102.1 -27.6 PHI 42 42 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 LEU N 1.0 -83.8 3.2 PSI 43 43 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -104.1 -23.5 PHI 44 44 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 PHE N 1.0 -78.2 0.3 PSI 45 45 A 35 LEU C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -137.5 -51.3 PHI 46 46 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 GLY N 1.0 -59.2 48.2 PSI 47 47 A 38 ARG C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -134.5 -39.1 PHI 48 48 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 THR N 1.0 97.9 198.1 PSI 49 49 A 42 GLN C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -110.0 -22.1 PHI 50 50 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 PRO N 1.0 101.2 182.6 PSI 51 51 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 GLY N 1.0 99.9 179.5 PSI 52 52 A 46 TYR C A 47 SER N A 47 SER CA A 47 SER C 1.0 -160.5 -52.5 PHI 53 53 A 47 SER N A 47 SER CA A 47 SER C A 48 TYR N 1.0 55.2 159.7 PSI 54 54 A 49 THR C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -93.7 -23.9 PHI 55 55 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ALA N 1.0 -74.6 -7.2 PSI 56 56 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -96.2 -26.1 PHI 57 57 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ASN N 1.0 -79.6 -8.0 PSI 58 58 A 51 ALA C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -104.8 -30.2 PHI 59 59 A 52 ASN N A 52 ASN CA A 52 ASN C A 53 LYS N 1.0 -77.6 5.6 PSI 60 60 A 52 ASN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -100.8 -27.4 PHI 61 61 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASN N 1.0 -79.3 11.5 PSI 62 62 A 53 LYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -140.2 -50.8 PHI 63 63 A 54 ASN N A 54 ASN CA A 54 ASN C A 55 LYS N 1.0 -41.8 43.4 PSI 64 64 A 54 ASN C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 21.9 92.3 PHI 65 65 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 GLY N 1.0 -2.4 76.6 PSI 66 66 A 55 LYS C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -142.6 -47.0 PHI 67 67 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 ILE N 1.0 -64.3 35.4 PSI 68 68 A 56 GLY C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -171.4 -81.2 PHI 69 69 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ILE N 1.0 124.2 198.2 PSI 70 70 A 57 ILE C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -149.9 -58.2 PHI 71 71 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 TRP N 1.0 95.6 164.0 PSI 72 72 A 58 ILE C A 59 TRP N A 59 TRP CA A 59 TRP C 1.0 -148.3 -51.6 PHI 73 73 A 59 TRP N A 59 TRP CA A 59 TRP C A 60 GLY N 1.0 72.8 172.5 PSI 74 74 A 60 GLY C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -89.5 -18.2 PHI 75 75 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ASP N 1.0 -83.4 -6.5 PSI 76 76 A 61 GLU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -93.9 -25.0 PHI 77 77 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 THR N 1.0 -78.3 -7.2 PSI 78 78 A 62 ASP C A 63 THR N A 63 THR CA A 63 THR C 1.0 -102.8 -31.2 PHI 79 79 A 63 THR N A 63 THR CA A 63 THR C A 64 LEU N 1.0 -77.9 -3.5 PSI 80 80 A 63 THR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -99.4 -26.8 PHI 81 81 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 MET N 1.0 -71.4 -2.4 PSI 82 82 A 64 LEU C A 65 MET N A 65 MET CA A 65 MET C 1.0 -99.6 -28.8 PHI 83 83 A 65 MET N A 65 MET CA A 65 MET C A 66 GLU N 1.0 -73.9 -4.4 PSI 84 84 A 65 MET C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -108.3 -33.9 PHI 85 85 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 TYR N 1.0 -73.7 -8.1 PSI 86 86 A 66 GLU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -100.4 -28.2 PHI 87 87 A 67 TYR N A 67 TYR CA A 67 TYR C A 68 LEU N 1.0 -75.9 -2.5 PSI 88 88 A 67 TYR C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -115.5 -28.2 PHI 89 89 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLU N 1.0 -69.6 24.7 PSI 90 90 A 68 LEU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -104.0 -28.5 PHI 91 91 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 ASN N 1.0 -73.5 1.9 PSI 92 92 A 71 PRO N A 71 PRO CA A 71 PRO C A 72 LYS N 1.0 -68.9 12.4 PSI 93 93 A 71 PRO C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -106.9 -31.7 PHI 94 94 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 LYS N 1.0 -63.1 17.8 PSI 95 95 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -123.2 -23.2 PHI 96 96 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 TYR N 1.0 -79.6 22.6 PSI 97 97 A 73 LYS C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -114.0 -36.2 PHI 98 98 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 ILE N 1.0 -77.6 1.4 PSI 99 99 A 76 PRO N A 76 PRO CA A 76 PRO C A 77 GLY N 1.0 101.0 177.9 PSI 100 100 A 76 PRO C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 47.6 133.8 PHI 101 101 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 THR N 1.0 -57.1 28.4 PSI 102 102 A 77 GLY C A 78 THR N A 78 THR CA A 78 THR C 1.0 -163.0 -41.8 PHI 103 103 A 78 THR N A 78 THR CA A 78 THR C A 79 LYS N 1.0 70.7 179.6 PSI 104 104 A 78 THR C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -154.6 -53.4 PHI 105 105 A 79 LYS N A 79 LYS CA A 79 LYS C A 80 MET N 1.0 70.1 163.9 PSI 106 106 A 79 LYS C A 80 MET N A 80 MET CA A 80 MET C 1.0 -175.2 -50.3 PHI 107 107 A 80 MET N A 80 MET CA A 80 MET C A 81 ILE N 1.0 77.7 167.1 PSI 108 108 A 80 MET C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -139.5 -50.6 PHI 109 109 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 PHE N 1.0 60.5 163.4 PSI 110 110 A 82 PHE C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -131.2 -52.4 PHI 111 111 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 GLY N 1.0 -76.7 0.8 PSI 112 112 A 84 GLY C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -154.1 -62.0 PHI 113 113 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 LYS N 1.0 92.1 170.6 PSI 114 114 A 86 LYS C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 -126.9 -27.9 PHI 115 115 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 LYS N 1.0 76.8 174.8 PSI 116 116 A 87 LYS C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -88.8 -17.6 PHI 117 117 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 GLU N 1.0 -88.8 -1.7 PSI 118 118 A 88 LYS C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -99.6 -26.9 PHI 119 119 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 GLU N 1.0 -78.2 7.2 PSI 120 120 A 89 GLU C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -101.6 -29.3 PHI 121 121 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ARG N 1.0 -79.6 1.6 PSI 122 122 A 90 GLU C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -100.0 -22.3 PHI 123 123 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 ALA N 1.0 -85.2 -11.4 PSI 124 124 A 91 ARG C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -97.4 -29.0 PHI 125 125 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 ASP N 1.0 -77.0 -5.5 PSI 126 126 A 92 ALA C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -107.2 -28.4 PHI 127 127 A 93 ASP N A 93 ASP CA A 93 ASP C A 94 LEU N 1.0 -75.3 -0.9 PSI 128 128 A 93 ASP C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -99.4 -29.1 PHI 129 129 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 ILE N 1.0 -78.9 -1.7 PSI 130 130 A 94 LEU C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -98.2 -29.7 PHI 131 131 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ALA N 1.0 -75.9 -8.3 PSI 132 132 A 95 ILE C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -97.9 -23.1 PHI 133 133 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 TYR N 1.0 -80.9 -2.3 PSI 134 134 A 96 ALA C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -99.4 -26.0 PHI 135 135 A 97 TYR N A 97 TYR CA A 97 TYR C A 98 LEU N 1.0 -81.5 -9.3 PSI 136 136 A 97 TYR C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -103.6 -29.8 PHI 137 137 A 98 LEU N A 98 LEU CA A 98 LEU C A 99 LYS N 1.0 -73.0 -3.6 PSI 138 138 A 98 LEU C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -98.0 -30.9 PHI 139 139 A 99 LYS N A 99 LYS CA A 99 LYS C A 100 LYS N 1.0 -76.9 -1.9 PSI 140 140 A 99 LYS C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -101.2 -25.2 PHI 141 141 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ALA N 1.0 -81.5 7.2 PSI 142 142 A 100 LYS C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -104.9 -27.9 PHI 143 143 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 THR N 1.0 -74.1 2.7 PSI 144 144 A 101 ALA C A 102 THR N A 102 THR CA A 102 THR C 1.0 -146.5 -47.3 PHI 145 145 A 102 THR N A 102 THR CA A 102 THR C A 103 ASN N 1.0 -52.5 42.3 PSI stop_ save_