data_nef_c34468_6trm 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6TRM 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 3 CYS SG 1 30 CYS SG 1 18 CYS SG 1 38 CYS SG 1 28 CYS SG 1 54 CYS SG 1 49 CYS SG 1 64 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 THR middle . . 3 A 3 CYS middle -HG . 4 A 4 GLY middle . false 5 A 5 GLY middle . false 6 A 6 GLY middle . false 7 A 7 TYR middle . . 8 A 8 GLY middle . false 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 GLN middle . . 12 A 12 ARG middle . . 13 A 13 ARG middle . . 14 A 14 THR middle . . 15 A 15 ASN middle . . 16 A 16 SER middle . . 17 A 17 PRO middle . false 18 A 18 CYS middle -HG . 19 A 19 GLN middle . . 20 A 20 ALA middle . . 21 A 21 SER middle . . 22 A 22 ASN middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 ARG middle . . 26 A 26 HIS middle . . 27 A 27 PHE middle . . 28 A 28 CYS middle -HG . 29 A 29 GLY middle . false 30 A 30 CYS middle -HG . 31 A 31 ASP middle . . 32 A 32 ARG middle . . 33 A 33 THR middle . . 34 A 34 GLY middle . false 35 A 35 ILE middle . . 36 A 36 VAL middle . . 37 A 37 GLU middle . . 38 A 38 CYS middle -HG . 39 A 39 LYS middle . . 40 A 40 GLY middle . false 41 A 41 GLY middle . false 42 A 42 LYS middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ILE middle . . 47 A 47 GLN middle . . 48 A 48 ASP middle . . 49 A 49 CYS middle -HG . 50 A 50 GLY middle . false 51 A 51 GLY middle . false 52 A 52 ALA middle . . 53 A 53 SER middle . . 54 A 54 CYS middle -HG . 55 A 55 ARG middle . . 56 A 56 GLY middle . false 57 A 57 VAL middle . . 58 A 58 SER middle . . 59 A 59 GLN middle . . 60 A 60 GLY middle . false 61 A 61 GLY middle . false 62 A 62 ALA middle . . 63 A 63 ARG middle . . 64 A 64 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.505 0.020 A 1 ASP HBx H 1 2.600 0.020 A 1 ASP HBy H 1 3.048 0.020 A 1 ASP C C 13 173.766 0.300 A 1 ASP CA C 13 53.539 0.300 A 1 ASP CB C 13 39.720 0.300 A 2 THR H H 1 8.550 0.020 A 2 THR HA H 1 4.203 0.020 A 2 THR HB H 1 4.721 0.020 A 2 THR HG2% H 1 1.086 0.020 A 2 THR C C 13 173.814 0.300 A 2 THR CA C 13 61.237 0.300 A 2 THR CB C 13 68.862 0.300 A 2 THR CG2 C 13 21.555 0.020 A 2 THR N N 15 111.710 0.300 A 3 CYS H H 1 8.940 0.020 A 3 CYS HA H 1 3.851 0.020 A 3 CYS HBy H 1 2.334 0.020 A 3 CYS HBx H 1 1.547 0.020 A 3 CYS C C 13 173.273 0.300 A 3 CYS CA C 13 58.721 0.300 A 3 CYS CB C 13 41.616 0.300 A 3 CYS N N 15 115.592 0.300 A 4 GLY H H 1 7.410 0.020 A 4 GLY HAy H 1 4.359 0.020 A 4 GLY HAx H 1 3.645 0.020 A 4 GLY C C 13 174.606 0.300 A 4 GLY CA C 13 43.627 0.300 A 4 GLY N N 15 105.526 0.300 A 5 GLY H H 1 8.704 0.020 A 5 GLY HAy H 1 3.892 0.020 A 5 GLY HAx H 1 3.746 0.020 A 5 GLY C C 13 175.267 0.300 A 5 GLY CA C 13 46.762 0.300 A 5 GLY N N 15 108.966 0.300 A 6 GLY H H 1 8.789 0.020 A 6 GLY HAy H 1 3.895 0.020 A 6 GLY HAx H 1 3.663 0.020 A 6 GLY C C 13 174.324 0.300 A 6 GLY CA C 13 45.191 0.300 A 6 GLY N N 15 111.615 0.300 A 7 TYR H H 1 7.466 0.020 A 7 TYR HA H 1 4.546 0.020 A 7 TYR HBy H 1 2.928 0.020 A 7 TYR HBx H 1 2.770 0.020 A 7 TYR HD1 H 1 6.954 0.020 A 7 TYR HD2 H 1 6.954 0.020 A 7 TYR HE1 H 1 6.837 0.020 A 7 TYR HE2 H 1 6.837 0.020 A 7 TYR C C 13 175.929 0.300 A 7 TYR CA C 13 58.071 0.300 A 7 TYR CB C 13 39.889 0.300 A 7 TYR N N 15 119.218 0.300 A 8 GLY H H 1 9.473 0.020 A 8 GLY HAy H 1 4.467 0.020 A 8 GLY HAx H 1 3.638 0.020 A 8 GLY C C 13 175.914 0.300 A 8 GLY CA C 13 45.069 0.300 A 8 GLY N N 15 108.251 0.300 A 9 VAL H H 1 8.461 0.020 A 9 VAL HA H 1 4.226 0.020 A 9 VAL HB H 1 2.354 0.020 A 9 VAL HGx% H 1 1.142 0.020 A 9 VAL HGy% H 1 0.977 0.020 A 9 VAL C C 13 175.632 0.300 A 9 VAL CA C 13 63.134 0.300 A 9 VAL CB C 13 31.526 0.300 A 9 VAL CGy C 13 21.157 0.300 A 9 VAL CGx C 13 18.537 0.300 A 9 VAL N N 15 114.893 0.300 A 10 ASP H H 1 9.210 0.020 A 10 ASP HA H 1 4.728 0.020 A 10 ASP HBy H 1 2.843 0.020 A 10 ASP HBx H 1 2.017 0.020 A 10 ASP C C 13 174.817 0.300 A 10 ASP CA C 13 52.905 0.300 A 10 ASP CB C 13 40.144 0.300 A 10 ASP N N 15 117.604 0.300 A 11 GLN H H 1 7.235 0.020 A 11 GLN HA H 1 5.745 0.020 A 11 GLN HBx H 1 1.856 0.020 A 11 GLN HBy H 1 2.226 0.020 A 11 GLN HE21 H 1 7.132 0.020 A 11 GLN HE22 H 1 6.901 0.020 A 11 GLN HGx H 1 1.680 0.020 A 11 GLN HGy H 1 2.244 0.020 A 11 GLN C C 13 176.647 0.300 A 11 GLN CA C 13 54.469 0.300 A 11 GLN CB C 13 33.687 0.300 A 11 GLN CG C 13 36.862 0.300 A 11 GLN N N 15 117.836 0.300 A 11 GLN NE2 N 15 116.529 0.300 A 12 ARG H H 1 8.947 0.020 A 12 ARG HA H 1 3.825 0.020 A 12 ARG HBy H 1 -0.097 0.020 A 12 ARG HBx H 1 -0.357 0.020 A 12 ARG HDx H 1 2.382 0.020 A 12 ARG HDy H 1 2.810 0.020 A 12 ARG HGy H 1 0.013 0.020 A 12 ARG HGx H 1 -0.927 0.020 A 12 ARG C C 13 172.316 0.300 A 12 ARG CA C 13 52.647 0.300 A 12 ARG CB C 13 32.639 0.300 A 12 ARG CD C 13 41.660 0.300 A 12 ARG CG C 13 25.125 0.300 A 12 ARG N N 15 124.944 0.300 A 13 ARG H H 1 7.112 0.020 A 13 ARG HA H 1 4.578 0.020 A 13 ARG HBy H 1 1.514 0.020 A 13 ARG HBx H 1 1.187 0.020 A 13 ARG HDy H 1 3.282 0.020 A 13 ARG HDx H 1 3.164 0.020 A 13 ARG HG2 H 1 1.591 0.020 A 13 ARG C C 13 176.981 0.300 A 13 ARG CA C 13 55.572 0.300 A 13 ARG CB C 13 30.287 0.300 A 13 ARG CD C 13 43.107 0.300 A 13 ARG CG C 13 26.592 0.300 A 13 ARG N N 15 117.248 0.300 A 14 THR H H 1 8.541 0.020 A 14 THR HA H 1 3.581 0.020 A 14 THR HB H 1 3.934 0.020 A 14 THR HG2% H 1 1.295 0.020 A 14 THR C C 13 173.823 0.300 A 14 THR CA C 13 66.038 0.300 A 14 THR CB C 13 67.836 0.300 A 14 THR CG2 C 13 22.899 0.300 A 14 THR N N 15 129.739 0.300 A 15 ASN H H 1 10.186 0.020 A 15 ASN HA H 1 4.347 0.020 A 15 ASN HBy H 1 3.242 0.020 A 15 ASN HBx H 1 3.129 0.020 A 15 ASN HD21 H 1 7.668 0.020 A 15 ASN HD22 H 1 7.060 0.020 A 15 ASN C C 13 173.194 0.300 A 15 ASN CA C 13 55.586 0.300 A 15 ASN CB C 13 36.946 0.300 A 15 ASN N N 15 121.150 0.300 A 15 ASN ND2 N 15 114.274 0.300 A 16 SER H H 1 8.293 0.020 A 16 SER HA H 1 5.018 0.020 A 16 SER HBy H 1 4.172 0.020 A 16 SER HBx H 1 3.760 0.020 A 16 SER C C 13 170.357 0.300 A 16 SER CA C 13 56.797 0.300 A 16 SER CB C 13 63.240 0.300 A 16 SER N N 15 116.349 0.300 A 17 PRO HBy H 1 2.365 0.020 A 17 PRO HBx H 1 1.851 0.020 A 17 PRO HDy H 1 3.919 0.020 A 17 PRO HDx H 1 3.777 0.020 A 17 PRO HGx H 1 1.948 0.020 A 17 PRO HGy H 1 2.187 0.020 A 17 PRO C C 13 174.690 0.300 A 17 PRO CA C 13 63.215 0.300 A 17 PRO CB C 13 32.799 0.300 A 17 PRO CD C 13 50.778 0.300 A 17 PRO CG C 13 28.110 0.300 A 18 CYS H H 1 7.553 0.020 A 18 CYS HA H 1 4.845 0.020 A 18 CYS HBy H 1 1.816 0.020 A 18 CYS HBx H 1 1.597 0.020 A 18 CYS C C 13 173.087 0.300 A 18 CYS CA C 13 52.507 0.300 A 18 CYS CB C 13 45.787 0.300 A 18 CYS N N 15 114.265 0.300 A 19 GLN H H 1 8.511 0.020 A 19 GLN HA H 1 4.339 0.020 A 19 GLN HBy H 1 2.270 0.020 A 19 GLN HBx H 1 1.925 0.020 A 19 GLN HG2 H 1 2.419 0.020 A 19 GLN C C 13 176.915 0.300 A 19 GLN CA C 13 55.229 0.300 A 19 GLN CB C 13 30.048 0.300 A 19 GLN CG C 13 34.022 0.300 A 19 GLN N N 15 119.755 0.300 A 20 ALA H H 1 8.891 0.020 A 20 ALA HA H 1 4.152 0.020 A 20 ALA HB% H 1 1.449 0.020 A 20 ALA C C 13 179.195 0.300 A 20 ALA CA C 13 54.395 0.300 A 20 ALA CB C 13 17.884 0.300 A 20 ALA N N 15 126.316 0.300 A 21 SER H H 1 7.989 0.020 A 21 SER HA H 1 4.221 0.020 A 21 SER HBy H 1 4.034 0.020 A 21 SER HBx H 1 3.898 0.020 A 21 SER C C 13 175.509 0.300 A 21 SER CA C 13 59.592 0.300 A 21 SER CB C 13 62.170 0.300 A 21 SER N N 15 113.418 0.300 A 22 ASN H H 1 7.918 0.020 A 22 ASN HA H 1 4.451 0.020 A 22 ASN HBy H 1 3.099 0.020 A 22 ASN HBx H 1 2.531 0.020 A 22 ASN HD21 H 1 8.485 0.020 A 22 ASN HD22 H 1 7.557 0.020 A 22 ASN C C 13 176.110 0.300 A 22 ASN CA C 13 56.732 0.300 A 22 ASN CB C 13 41.057 0.300 A 22 ASN N N 15 120.226 0.300 A 22 ASN ND2 N 15 119.544 0.300 A 23 GLY H H 1 8.137 0.020 A 23 GLY HAy H 1 3.902 0.020 A 23 GLY HAx H 1 3.778 0.020 A 23 GLY C C 13 174.810 0.300 A 23 GLY CA C 13 46.984 0.300 A 23 GLY N N 15 107.591 0.300 A 24 ASP H H 1 8.559 0.020 A 24 ASP HA H 1 4.721 0.020 A 24 ASP HBy H 1 2.943 0.020 A 24 ASP HBx H 1 2.606 0.020 A 24 ASP C C 13 175.941 0.300 A 24 ASP CA C 13 52.695 0.300 A 24 ASP CB C 13 39.468 0.300 A 24 ASP N N 15 125.645 0.300 A 25 ARG H H 1 7.724 0.020 A 25 ARG HA H 1 4.119 0.020 A 25 ARG HBy H 1 2.096 0.020 A 25 ARG HBx H 1 1.718 0.020 A 25 ARG HDy H 1 3.496 0.020 A 25 ARG HDx H 1 3.340 0.020 A 25 ARG HGx H 1 1.872 0.020 A 25 ARG HGy H 1 2.058 0.020 A 25 ARG C C 13 177.167 0.300 A 25 ARG CA C 13 57.912 0.300 A 25 ARG CB C 13 32.032 0.300 A 25 ARG CD C 13 44.119 0.300 A 25 ARG CG C 13 28.117 0.300 A 25 ARG N N 15 118.308 0.300 A 26 HIS H H 1 8.593 0.020 A 26 HIS HA H 1 5.777 0.020 A 26 HIS HBy H 1 3.139 0.020 A 26 HIS HBx H 1 2.850 0.020 A 26 HIS HD2 H 1 7.083 0.020 A 26 HIS C C 13 173.065 0.300 A 26 HIS CA C 13 52.098 0.300 A 26 HIS CB C 13 30.695 0.300 A 26 HIS N N 15 118.988 0.300 A 27 PHE H H 1 8.654 0.020 A 27 PHE HA H 1 4.706 0.020 A 27 PHE HBy H 1 2.669 0.020 A 27 PHE HBx H 1 1.615 0.020 A 27 PHE HD1 H 1 6.939 0.020 A 27 PHE HD2 H 1 6.939 0.020 A 27 PHE HE1 H 1 7.367 0.020 A 27 PHE HE2 H 1 7.367 0.020 A 27 PHE HZ H 1 7.181 0.020 A 27 PHE C C 13 174.320 0.300 A 27 PHE CA C 13 56.747 0.300 A 27 PHE CB C 13 43.100 0.300 A 27 PHE N N 15 121.088 0.300 A 28 CYS H H 1 8.753 0.020 A 28 CYS HA H 1 5.572 0.020 A 28 CYS HBy H 1 3.098 0.020 A 28 CYS HBx H 1 2.555 0.020 A 28 CYS C C 13 175.754 0.300 A 28 CYS CA C 13 52.750 0.300 A 28 CYS CB C 13 40.728 0.300 A 28 CYS N N 15 117.615 0.300 A 29 GLY H H 1 8.435 0.020 A 29 GLY HAy H 1 4.966 0.020 A 29 GLY HAx H 1 4.012 0.020 A 29 GLY C C 13 177.785 0.300 A 29 GLY CA C 13 44.587 0.300 A 29 GLY N N 15 106.496 0.300 A 30 CYS H H 1 8.467 0.020 A 30 CYS HA H 1 4.308 0.020 A 30 CYS HBy H 1 2.981 0.020 A 30 CYS HBx H 1 2.629 0.020 A 30 CYS C C 13 175.098 0.300 A 30 CYS CA C 13 56.292 0.300 A 30 CYS CB C 13 35.840 0.300 A 30 CYS N N 15 117.191 0.300 A 31 ASP H H 1 8.068 0.020 A 31 ASP HA H 1 4.720 0.020 A 31 ASP HBy H 1 3.120 0.020 A 31 ASP HBx H 1 2.657 0.020 A 31 ASP C C 13 176.170 0.300 A 31 ASP CA C 13 52.814 0.300 A 31 ASP CB C 13 40.566 0.300 A 31 ASP N N 15 115.840 0.300 A 32 ARG H H 1 7.777 0.020 A 32 ARG HA H 1 3.518 0.020 A 32 ARG HBy H 1 2.198 0.020 A 32 ARG HBx H 1 2.092 0.020 A 32 ARG HDy H 1 3.567 0.020 A 32 ARG HDx H 1 3.220 0.020 A 32 ARG HGy H 1 1.693 0.020 A 32 ARG HGx H 1 1.405 0.020 A 32 ARG C C 13 173.745 0.300 A 32 ARG CA C 13 60.488 0.300 A 32 ARG CB C 13 26.700 0.300 A 32 ARG CD C 13 42.838 0.300 A 32 ARG CG C 13 30.257 0.300 A 32 ARG N N 15 107.861 0.300 A 33 THR H H 1 8.210 0.020 A 33 THR HA H 1 4.985 0.020 A 33 THR HB H 1 4.429 0.020 A 33 THR HG2% H 1 0.892 0.020 A 33 THR C C 13 174.115 0.300 A 33 THR CA C 13 62.431 0.300 A 33 THR CB C 13 70.001 0.300 A 33 THR CG2 C 13 20.498 0.300 A 33 THR N N 15 107.800 0.300 A 34 GLY H H 1 7.713 0.020 A 34 GLY HAy H 1 4.945 0.020 A 34 GLY HAx H 1 3.795 0.020 A 34 GLY C C 13 170.697 0.300 A 34 GLY CA C 13 44.934 0.300 A 34 GLY N N 15 108.650 0.300 A 35 ILE H H 1 8.395 0.020 A 35 ILE HA H 1 4.684 0.020 A 35 ILE HB H 1 1.511 0.020 A 35 ILE HD1% H 1 0.713 0.020 A 35 ILE HG1x H 1 0.907 0.020 A 35 ILE HG1y H 1 1.445 0.020 A 35 ILE HG2% H 1 0.747 0.020 A 35 ILE C C 13 176.389 0.300 A 35 ILE CA C 13 59.566 0.300 A 35 ILE CB C 13 39.879 0.300 A 35 ILE CD1 C 13 13.471 0.300 A 35 ILE CG1 C 13 27.952 0.300 A 35 ILE CG2 C 13 18.002 0.300 A 35 ILE N N 15 119.427 0.300 A 36 VAL H H 1 9.232 0.020 A 36 VAL HA H 1 5.528 0.020 A 36 VAL HB H 1 2.040 0.020 A 36 VAL HGx% H 1 0.687 0.020 A 36 VAL HGy% H 1 0.347 0.020 A 36 VAL C C 13 173.597 0.300 A 36 VAL CA C 13 57.934 0.300 A 36 VAL CB C 13 35.613 0.300 A 36 VAL CGy C 13 21.644 0.300 A 36 VAL CGx C 13 19.286 0.300 A 36 VAL N N 15 118.618 0.300 A 37 GLU H H 1 9.015 0.020 A 37 GLU HA H 1 5.247 0.020 A 37 GLU HBy H 1 2.040 0.020 A 37 GLU HBx H 1 1.776 0.020 A 37 GLU HGy H 1 2.496 0.020 A 37 GLU HGx H 1 2.255 0.020 A 37 GLU C C 13 174.211 0.300 A 37 GLU CA C 13 54.059 0.300 A 37 GLU CB C 13 35.920 0.300 A 37 GLU CG C 13 35.888 0.300 A 37 GLU N N 15 121.759 0.300 A 38 CYS H H 1 10.597 0.020 A 38 CYS HA H 1 4.034 0.020 A 38 CYS HBy H 1 2.708 0.020 A 38 CYS HBx H 1 1.208 0.020 A 38 CYS C C 13 172.967 0.300 A 38 CYS CA C 13 55.826 0.300 A 38 CYS CB C 13 38.026 0.300 A 38 CYS N N 15 131.520 0.300 A 39 LYS H H 1 8.232 0.020 A 39 LYS HA H 1 4.669 0.020 A 39 LYS HBy H 1 1.778 0.020 A 39 LYS HBx H 1 1.677 0.020 A 39 LYS HDx H 1 1.512 0.020 A 39 LYS HDy H 1 1.629 0.020 A 39 LYS HE2 H 1 2.909 0.020 A 39 LYS HG2 H 1 1.357 0.020 A 39 LYS C C 13 176.302 0.300 A 39 LYS CA C 13 55.354 0.300 A 39 LYS CB C 13 34.634 0.300 A 39 LYS CD C 13 29.172 0.300 A 39 LYS CE C 13 41.555 0.300 A 39 LYS CG C 13 24.227 0.300 A 39 LYS N N 15 131.482 0.300 A 40 GLY H H 1 9.108 0.020 A 40 GLY HA2 H 1 3.729 0.020 A 40 GLY C C 13 175.855 0.300 A 40 GLY CA C 13 46.904 0.300 A 40 GLY N N 15 114.709 0.300 A 41 GLY H H 1 8.250 0.020 A 41 GLY HAy H 1 3.988 0.020 A 41 GLY HAx H 1 3.677 0.020 A 41 GLY C C 13 174.665 0.300 A 41 GLY CA C 13 45.251 0.300 A 41 GLY N N 15 104.059 0.300 A 42 LYS H H 1 7.515 0.020 A 42 LYS HA H 1 4.989 0.020 A 42 LYS HB2 H 1 1.417 0.020 A 42 LYS HDy H 1 1.587 0.020 A 42 LYS HDx H 1 1.499 0.004 A 42 LYS HE2 H 1 2.963 0.020 A 42 LYS HG2 H 1 1.187 0.020 A 42 LYS C C 13 177.459 0.300 A 42 LYS CA C 13 54.493 0.300 A 42 LYS CB C 13 36.834 0.300 A 42 LYS CD C 13 29.291 0.300 A 42 LYS CE C 13 42.188 0.300 A 42 LYS CG C 13 24.086 0.300 A 42 LYS N N 15 119.364 0.300 A 43 TRP H H 1 8.775 0.020 A 43 TRP HA H 1 4.564 0.020 A 43 TRP HBy H 1 3.379 0.020 A 43 TRP HBx H 1 2.673 0.020 A 43 TRP HD1 H 1 7.182 0.020 A 43 TRP HE1 H 1 10.818 0.020 A 43 TRP HE3 H 1 6.944 0.020 A 43 TRP HH2 H 1 7.130 0.020 A 43 TRP HZ2 H 1 7.315 0.020 A 43 TRP HZ3 H 1 7.260 0.020 A 43 TRP C C 13 176.413 0.300 A 43 TRP CA C 13 57.746 0.300 A 43 TRP CB C 13 29.091 0.300 A 43 TRP N N 15 125.254 0.300 A 43 TRP NE1 N 15 130.853 0.300 A 44 THR H H 1 9.797 0.020 A 44 THR HA H 1 4.635 0.020 A 44 THR HB H 1 4.091 0.020 A 44 THR HG2% H 1 1.216 0.020 A 44 THR C C 13 173.364 0.300 A 44 THR CA C 13 62.453 0.300 A 44 THR CB C 13 71.660 0.300 A 44 THR CG2 C 13 19.989 0.300 A 44 THR N N 15 127.051 0.300 A 45 GLU H H 1 9.352 0.020 A 45 GLU HA H 1 4.724 0.020 A 45 GLU HBy H 1 2.068 0.020 A 45 GLU HBx H 1 1.883 0.020 A 45 GLU HGy H 1 2.263 0.020 A 45 GLU HGx H 1 2.207 0.020 A 45 GLU C C 13 176.411 0.300 A 45 GLU CA C 13 57.116 0.300 A 45 GLU CB C 13 28.218 0.300 A 45 GLU CG C 13 34.098 0.300 A 45 GLU N N 15 128.434 0.300 A 46 ILE H H 1 9.019 0.020 A 46 ILE HA H 1 4.573 0.020 A 46 ILE HB H 1 2.028 0.020 A 46 ILE HD1% H 1 0.340 0.020 A 46 ILE HG1y H 1 1.042 0.020 A 46 ILE HG1x H 1 0.766 0.020 A 46 ILE HG2% H 1 0.913 0.020 A 46 ILE C C 13 175.784 0.300 A 46 ILE CA C 13 60.557 0.300 A 46 ILE CB C 13 39.942 0.300 A 46 ILE CD1 C 13 13.913 0.300 A 46 ILE CG1 C 13 26.479 0.300 A 46 ILE CG2 C 13 19.183 0.300 A 46 ILE N N 15 120.637 0.300 A 47 GLN H H 1 7.238 0.020 A 47 GLN HA H 1 4.281 0.020 A 47 GLN HBx H 1 1.623 0.020 A 47 GLN HBy H 1 2.054 0.020 A 47 GLN HE21 H 1 7.540 0.020 A 47 GLN HE22 H 1 6.748 0.020 A 47 GLN HGy H 1 2.375 0.020 A 47 GLN HGx H 1 2.118 0.020 A 47 GLN C C 13 172.451 0.300 A 47 GLN CA C 13 56.428 0.300 A 47 GLN CB C 13 31.414 0.300 A 47 GLN CG C 13 33.176 0.300 A 47 GLN N N 15 121.156 0.300 A 47 GLN NE2 N 15 111.068 0.300 A 48 ASP H H 1 8.925 0.020 A 48 ASP HA H 1 5.079 0.020 A 48 ASP HBy H 1 2.855 0.020 A 48 ASP HBx H 1 2.540 0.020 A 48 ASP C C 13 176.922 0.300 A 48 ASP CA C 13 52.807 0.300 A 48 ASP CB C 13 41.819 0.300 A 48 ASP N N 15 127.167 0.300 A 49 CYS H H 1 9.733 0.020 A 49 CYS HA H 1 4.837 0.020 A 49 CYS HBy H 1 3.467 0.020 A 49 CYS HBx H 1 3.028 0.020 A 49 CYS C C 13 177.032 0.300 A 49 CYS CA C 13 52.993 0.300 A 49 CYS CB C 13 34.891 0.300 A 49 CYS N N 15 123.805 0.300 A 50 GLY H H 1 9.145 0.002 A 50 GLY HAy H 1 4.046 0.020 A 50 GLY HAx H 1 3.621 0.020 A 50 GLY C C 13 173.672 0.300 A 50 GLY CA C 13 46.345 0.300 A 50 GLY N N 15 112.183 0.300 A 51 GLY H H 1 7.669 0.020 A 51 GLY HAy H 1 3.922 0.020 A 51 GLY HAx H 1 3.852 0.020 A 51 GLY C C 13 172.718 0.300 A 51 GLY CA C 13 43.668 0.300 A 51 GLY N N 15 109.198 0.300 A 52 ALA H H 1 8.367 0.020 A 52 ALA HA H 1 4.335 0.020 A 52 ALA HB% H 1 1.225 0.020 A 52 ALA C C 13 177.797 0.300 A 52 ALA CA C 13 51.166 0.300 A 52 ALA CB C 13 16.732 0.300 A 52 ALA N N 15 124.230 0.300 A 53 SER H H 1 7.999 0.020 A 53 SER HA H 1 4.486 0.020 A 53 SER HBy H 1 4.222 0.020 A 53 SER HBx H 1 3.380 0.020 A 53 SER C C 13 174.124 0.300 A 53 SER CA C 13 58.313 0.300 A 53 SER CB C 13 64.748 0.300 A 53 SER N N 15 114.311 0.300 A 54 CYS H H 1 8.827 0.020 A 54 CYS HA H 1 4.880 0.020 A 54 CYS HBy H 1 2.810 0.020 A 54 CYS HBx H 1 2.541 0.020 A 54 CYS C C 13 175.527 0.300 A 54 CYS CA C 13 58.744 0.300 A 54 CYS CB C 13 38.091 0.300 A 54 CYS N N 15 123.389 0.300 A 55 ARG H H 1 8.831 0.020 A 55 ARG HA H 1 4.382 0.020 A 55 ARG HB2 H 1 1.955 0.020 A 55 ARG HDy H 1 3.330 0.020 A 55 ARG HDx H 1 3.233 0.020 A 55 ARG HGx H 1 1.778 0.020 A 55 ARG HGy H 1 1.952 0.020 A 55 ARG C C 13 175.178 0.300 A 55 ARG CA C 13 57.005 0.300 A 55 ARG CB C 13 33.655 0.300 A 55 ARG CD C 13 43.358 0.300 A 55 ARG CG C 13 26.477 0.300 A 55 ARG N N 15 130.129 0.300 A 56 GLY H H 1 9.720 0.020 A 56 GLY HAy H 1 4.521 0.020 A 56 GLY HAx H 1 3.710 0.020 A 56 GLY C C 13 172.493 0.300 A 56 GLY CA C 13 44.577 0.300 A 56 GLY N N 15 113.770 0.300 A 57 VAL H H 1 8.985 0.020 A 57 VAL HA H 1 4.685 0.020 A 57 VAL HB H 1 2.533 0.020 A 57 VAL HGx% H 1 0.952 0.020 A 57 VAL HGy% H 1 0.719 0.020 A 57 VAL C C 13 177.254 0.300 A 57 VAL CA C 13 59.966 0.300 A 57 VAL CB C 13 35.587 0.300 A 57 VAL CGy C 13 22.489 0.300 A 57 VAL CGx C 13 18.879 0.300 A 57 VAL N N 15 116.091 0.300 A 58 SER H H 1 8.853 0.020 A 58 SER HA H 1 4.096 0.020 A 58 SER HBx H 1 3.956 0.020 A 58 SER HBy H 1 4.041 0.020 A 58 SER C C 13 176.110 0.300 A 58 SER CA C 13 61.615 0.300 A 58 SER CB C 13 62.505 0.300 A 58 SER N N 15 116.216 0.300 A 59 GLN H H 1 7.607 0.020 A 59 GLN HA H 1 4.511 0.020 A 59 GLN HBy H 1 2.300 0.020 A 59 GLN HBx H 1 1.864 0.020 A 59 GLN HE21 H 1 7.501 0.020 A 59 GLN HE22 H 1 6.848 0.020 A 59 GLN HG2 H 1 2.400 0.020 A 59 GLN C C 13 174.239 0.300 A 59 GLN CA C 13 55.770 0.300 A 59 GLN CB C 13 27.975 0.300 A 59 GLN CG C 13 33.799 0.300 A 59 GLN N N 15 115.677 0.300 A 59 GLN NE2 N 15 112.085 0.300 A 60 GLY H H 1 7.691 0.020 A 60 GLY HAy H 1 3.565 0.020 A 60 GLY HAx H 1 2.238 0.020 A 60 GLY C C 13 173.026 0.300 A 60 GLY CA C 13 44.583 0.300 A 60 GLY N N 15 112.208 0.300 A 61 GLY H H 1 8.723 0.020 A 61 GLY HA2 H 1 3.682 0.020 A 61 GLY C C 13 174.905 0.300 A 61 GLY CA C 13 46.191 0.300 A 61 GLY N N 15 111.802 0.300 A 62 ALA H H 1 7.477 0.020 A 62 ALA HA H 1 4.560 0.020 A 62 ALA HB% H 1 1.007 0.020 A 62 ALA C C 13 176.432 0.300 A 62 ALA CA C 13 52.598 0.300 A 62 ALA CB C 13 20.732 0.300 A 62 ALA N N 15 120.116 0.300 A 63 ARG H H 1 8.229 0.020 A 63 ARG HA H 1 4.619 0.020 A 63 ARG HBy H 1 1.976 0.020 A 63 ARG HBx H 1 1.867 0.020 A 63 ARG HDy H 1 3.280 0.020 A 63 ARG HDx H 1 3.230 0.020 A 63 ARG HGy H 1 1.816 0.020 A 63 ARG HGx H 1 1.753 0.020 A 63 ARG C C 13 174.693 0.300 A 63 ARG CA C 13 54.676 0.300 A 63 ARG CB C 13 33.489 0.300 A 63 ARG CD C 13 43.510 0.300 A 63 ARG CG C 13 26.096 0.300 A 63 ARG N N 15 118.831 0.300 A 64 CYS H H 1 8.446 0.020 A 64 CYS HA H 1 4.312 0.020 A 64 CYS HBy H 1 3.138 0.020 A 64 CYS HBx H 1 2.581 0.020 A 64 CYS C C 13 179.612 0.300 A 64 CYS CA C 13 54.726 0.300 A 64 CYS CB C 13 37.053 0.300 A 64 CYS N N 15 124.525 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 12 ARG HDx A 43 TRP HE1 1.0 . 4.46 2 2 A 43 TRP HE1 A 36 VAL HGy% 1.0 . 5.50 3 3 A 43 TRP HE1 A 2 THR HG2% 1.0 . 5.50 4 4 A 43 TRP HE1 A 12 ARG HBy 1.0 . 5.27 5 5 A 37 GLU H A 38 CYS H 1.0 . 4.88 6 6 A 38 CYS H A 46 ILE HG2% 1.0 . 5.50 7 7 A 15 ASN H A 43 TRP H 1.0 . 4.05 8 8 A 15 ASN H A 16 SER H 1.0 . 3.20 9 9 A 15 ASN H A 44 THR HG2% 1.0 . 5.50 10 10 A 15 ASN H A 44 THR H 1.0 . 5.50 11 11 A 44 THR H A 45 GLU H 1.0 . 4.83 12 12 A 38 CYS H A 44 THR H 1.0 . 5.50 13 13 A 44 THR H A 42 LYS H 1.0 . 5.50 14 14 A 44 THR H A 37 GLU HBx 1.0 . 5.20 15 15 A 44 THR H A 39 LYS H 1.0 . 3.97 16 16 A 49 CYS H A 51 GLY H 1.0 . 4.90 17 17 A 49 CYS H A 49 CYS HBx 1.0 . 3.44 18 18 A 55 ARG H A 56 GLY H 1.0 . 4.70 19 19 A 7 TYR H A 8 GLY H 1.0 . 4.71 20 20 A 8 GLY H A 11 GLN HE21 1.0 . 5.50 21 21 A 15 ASN H A 45 GLU H 1.0 . 5.36 22 22 A 46 ILE HG2% A 45 GLU H 1.0 . 5.50 23 23 A 36 VAL H A 35 ILE HG1y 1.0 . 5.19 24 24 A 10 ASP H A 11 GLN HGx 1.0 . 5.50 25 25 A 56 GLY H A 10 ASP H 1.0 . 4.82 26 26 A 49 CYS H A 50 GLY H 1.0 . 3.08 27 27 A 42 LYS H A 40 GLY H 1.0 . 4.93 28 28 A 40 GLY H A 41 GLY H 1.0 . 3.20 29 29 A 45 GLU H A 46 ILE H 1.0 . 5.12 30 30 A 37 GLU H A 44 THR H 1.0 . 3.18 31 31 A 37 GLU H A 26 HIS HA 1.0 . 5.50 32 32 A 56 GLY H A 57 VAL H 1.0 . 4.47 33 33 A 57 VAL H A 62 ALA H 1.0 . 5.32 34 34 A 12 ARG H A 27 PHE HA 1.0 . 5.43 35 35 A 12 ARG H A 29 GLY H 1.0 . 5.17 36 36 A 12 ARG H A 13 ARG H 1.0 . 4.36 37 37 A 3 CYS H A 4 GLY H 1.0 . 3.10 38 38 A 35 ILE HD1% A 48 ASP H 1.0 . 5.50 39 39 A 48 ASP H A 47 GLN HE21 1.0 . 5.41 40 40 A 49 CYS H A 48 ASP H 1.0 . 4.69 41 41 A 19 GLN H A 20 ALA H 1.0 . 4.68 42 42 A 20 ALA H A 21 SER H 1.0 . 3.29 43 43 A 9 VAL HGy% A 58 SER H 1.0 . 3.89 44 44 A 53 SER HBy A 54 CYS H 1.0 . 5.50 45 45 A 55 ARG H A 55 ARG HDx 1.0 . 5.33 46 46 A 54 CYS H A 32 ARG H 1.0 . 5.50 47 47 A 55 ARG H A 64 CYS HA 1.0 . 5.50 48 48 A 7 TYR H A 6 GLY H 1.0 . 3.16 49 49 A 43 TRP H A 44 THR H 1.0 . 4.63 50 50 A 43 TRP HE1 A 43 TRP H 1.0 . 5.50 51 51 A 43 TRP H A 18 CYS H 1.0 . 4.52 52 52 A 10 ASP HA A 28 CYS H 1.0 . 4.63 53 53 A 36 VAL HGy% A 28 CYS H 1.0 . 5.18 54 54 A 62 ALA H A 61 GLY H 1.0 . 3.22 55 55 A 61 GLY H A 26 HIS H 1.0 . 3.44 56 56 A 4 GLY H A 5 GLY H 1.0 . 4.53 57 57 A 26 HIS HD2 A 27 PHE H 1.0 . 5.44 58 58 A 27 PHE H A 26 HIS HBy 1.0 . 4.49 59 59 A 36 VAL H A 27 PHE H 1.0 . 3.62 60 60 A 62 ALA H A 27 PHE H 1.0 . 4.94 61 61 A 62 ALA H A 26 HIS H 1.0 . 4.37 62 62 A 26 HIS H A 27 PHE HD% 1.0 . 5.50 63 63 A 15 ASN H A 14 THR H 1.0 . 4.53 64 64 A 14 THR H A 14 THR HG2% 1.0 . 4.47 65 65 A 14 THR H A 36 VAL HGx% 1.0 . 4.89 66 66 A 43 TRP HE1 A 19 GLN H 1.0 . 4.98 67 67 A 19 GLN H A 18 CYS HBx 1.0 . 3.75 68 68 A 30 CYS H A 31 ASP H 1.0 . 3.61 69 69 A 8 GLY H A 9 VAL H 1.0 . 4.39 70 70 A 10 ASP H A 9 VAL H 1.0 . 3.12 71 71 A 9 VAL H A 11 GLN H 1.0 . 4.88 72 72 A 10 ASP HA A 9 VAL H 1.0 . 5.13 73 73 A 63 ARG HBy A 64 CYS H 1.0 . 3.90 74 74 A 35 ILE HD1% A 64 CYS H 1.0 . 3.55 75 75 A 36 VAL H A 35 ILE H 1.0 . 4.77 76 76 A 49 CYS H A 35 ILE H 1.0 . 4.61 77 77 A 46 ILE H A 35 ILE H 1.0 . 4.64 78 78 A 35 ILE H A 47 GLN HE22 1.0 . 5.50 79 79 A 48 ASP H A 35 ILE H 1.0 . 5.50 80 80 A 52 ALA H A 53 SER H 1.0 . 4.13 81 81 A 51 GLY H A 52 ALA H 1.0 . 4.57 82 82 A 16 SER H A 13 ARG H 1.0 . 5.50 83 83 A 16 SER H A 14 THR HG2% 1.0 . 5.14 84 84 A 43 TRP H A 16 SER H 1.0 . 3.92 85 85 A 38 CYS H A 39 LYS H 1.0 . 4.81 86 86 A 39 LYS H A 38 CYS HBx 1.0 . 4.35 87 87 A 56 GLY H A 63 ARG H 1.0 . 5.50 88 88 A 55 ARG H A 63 ARG H 1.0 . 3.61 89 89 A 33 THR H A 54 CYS HBy 1.0 . 5.50 90 90 A 32 ARG H A 33 THR H 1.0 . 3.71 91 91 A 33 THR H A 34 GLY H 1.0 . 3.01 92 92 A 22 ASN H A 23 GLY H 1.0 . 3.18 93 93 A 31 ASP H A 29 GLY HAy 1.0 . 4.34 94 94 A 32 ARG H A 31 ASP H 1.0 . 3.22 95 95 A 51 GLY H A 53 SER H 1.0 . 4.68 96 96 A 54 CYS H A 53 SER H 1.0 . 2.91 97 97 A 20 ALA H A 22 ASN H 1.0 . 5.03 98 98 A 21 SER H A 22 ASN H 1.0 . 2.92 99 99 A 22 ASN H A 19 GLN HBy 1.0 . 5.28 100 100 A 11 GLN HE21 A 32 ARG H 1.0 . 4.41 101 101 A 29 GLY H A 32 ARG H 1.0 . 4.84 102 102 A 38 CYS H A 25 ARG H 1.0 . 5.50 103 103 A 25 ARG H A 24 ASP H 1.0 . 3.13 104 104 A 29 GLY H A 34 GLY H 1.0 . 3.85 105 105 A 31 ASP H A 34 GLY H 1.0 . 5.44 106 106 A 61 GLY H A 60 GLY H 1.0 . 4.44 107 107 A 57 VAL H A 60 GLY H 1.0 . 3.92 108 108 A 58 SER H A 60 GLY H 1.0 . 4.88 109 109 A 60 GLY H A 59 GLN H 1.0 . 3.21 110 110 A 10 ASP HA A 60 GLY H 1.0 . 4.33 111 111 A 51 GLY H A 33 THR HG2% 1.0 . 5.16 112 112 A 15 ASN H A 15 ASN HD21 1.0 . 5.50 113 113 A 51 GLY H A 50 GLY H 1.0 . 3.51 114 114 A 15 ASN HD21 A 15 ASN HBy 1.0 . 3.51 115 115 A 57 VAL H A 59 GLN H 1.0 . 5.24 116 116 A 58 SER H A 59 GLN H 1.0 . 3.31 117 117 A 43 TRP HE1 A 18 CYS H 1.0 . 5.42 118 118 A 49 CYS HBx A 47 GLN HE21 1.0 . 5.06 119 119 A 42 LYS H A 41 GLY H 1.0 . 3.07 120 120 A 4 GLY H A 7 TYR HBx 1.0 . 4.71 121 121 A 4 GLY H A 2 THR H 1.0 . 5.40 122 122 A 25 ARG HBx A 27 PHE HE% 1.0 . 4.40 123 123 A 27 PHE HE% A 25 ARG HBy 1.0 . 4.58 124 124 A 22 ASN HBy A 43 TRP HZ2 1.0 . 5.39 125 125 A 43 TRP HZ2 A 22 ASN HBx 1.0 . 5.50 126 126 A 19 GLN H A 43 TRP HZ2 1.0 . 4.29 127 127 A 43 TRP HZ2 A 38 CYS HBy 1.0 . 5.50 128 128 A 43 TRP HZ2 A 12 ARG HDy 1.0 . 4.63 129 129 A 43 TRP HZ2 A 18 CYS HBy 1.0 . 4.47 130 130 A 18 CYS HBx A 43 TRP HZ2 1.0 . 5.19 131 131 A 43 TRP HZ2 A 12 ARG HBx 1.0 . 5.50 132 132 A 43 TRP HZ2 A 12 ARG HGx 1.0 . 4.63 133 133 A 27 PHE HD% A 11 GLN H 1.0 . 3.45 134 134 A 35 ILE HA A 47 GLN H 1.0 . 5.00 135 135 A 46 ILE H A 47 GLN H 1.0 . 2.72 136 136 A 48 ASP H A 47 GLN H 1.0 . 4.36 137 137 A 35 ILE H A 47 GLN H 1.0 . 3.44 138 138 A 11 GLN H A 11 GLN HGy 1.0 . 3.26 139 139 A 46 ILE HG2% A 47 GLN H 1.0 . 4.79 140 140 A 8 GLY H A 11 GLN H 1.0 . 5.25 141 141 A 10 ASP H A 11 GLN H 1.0 . 3.11 142 142 A 15 ASN H A 43 TRP HD1 1.0 . 5.50 143 143 A 43 TRP H A 43 TRP HD1 1.0 . 3.63 144 144 A 16 SER H A 43 TRP HD1 1.0 . 4.20 145 145 A 43 TRP HD1 A 43 TRP HBy 1.0 . 3.87 146 146 A 18 CYS HBx A 43 TRP HD1 1.0 . 4.29 147 147 A 43 TRP HD1 A 13 ARG HBy 1.0 . 5.50 148 148 A 12 ARG HBy A 43 TRP HD1 1.0 . 5.45 149 149 A 12 ARG HBx A 43 TRP HD1 1.0 . 4.72 150 150 A 12 ARG HGx A 43 TRP HD1 1.0 . 5.50 151 151 A 13 ARG H A 13 ARG HDy 1.0 . 4.61 152 152 A 13 ARG H A 2 THR HB 1.0 . 4.89 153 153 A 43 TRP HE1 A 13 ARG H 1.0 . 4.66 154 154 A 13 ARG H A 14 THR H 1.0 . 4.55 155 155 A 13 ARG H A 12 ARG HDy 1.0 . 5.46 156 156 A 13 ARG H A 13 ARG HG2 1.0 . 4.40 157 156 A 13 ARG H A 13 ARG HGy 1.0 . 4.40 158 157 A 38 CYS H A 26 HIS HD2 1.0 . 5.09 159 158 A 37 GLU H A 26 HIS HD2 1.0 . 5.42 160 159 A 26 HIS H A 26 HIS HD2 1.0 . 4.46 161 160 A 26 HIS HD2 A 37 GLU HGy 1.0 . 3.84 162 161 A 26 HIS HD2 A 37 GLU HGx 1.0 . 4.43 163 162 A 26 HIS HD2 A 37 GLU HBy 1.0 . 3.73 164 163 A 37 GLU HBx A 26 HIS HD2 1.0 . 4.53 165 164 A 46 ILE HG2% A 26 HIS HD2 1.0 . 5.50 166 165 A 26 HIS HD2 A 46 ILE HD1% 1.0 . 4.55 167 166 A 15 ASN HD22 A 42 LYS HEy 1.0 . 5.50 168 166 A 15 ASN HD22 A 42 LYS HE2 1.0 . 5.50 169 167 A 15 ASN H A 15 ASN HD22 1.0 . 5.50 170 168 A 8 GLY H A 7 TYR HD% 1.0 . 4.17 171 169 A 5 GLY H A 7 TYR HD% 1.0 . 5.50 172 170 A 7 TYR H A 7 TYR HD% 1.0 . 3.41 173 171 A 7 TYR HD% A 6 GLY HAx 1.0 . 5.50 174 172 A 7 TYR HD% A 11 GLN HBy 1.0 . 5.22 175 173 A 7 TYR HD% A 3 CYS HBx 1.0 . 4.46 176 174 A 12 ARG H A 27 PHE HD% 1.0 . 5.38 177 175 A 7 TYR HD% A 3 CYS HBy 1.0 . 4.07 178 176 A 27 PHE HD% A 11 GLN HBx 1.0 . 5.50 179 177 A 39 LYS H A 43 TRP HE3 1.0 . 5.50 180 178 A 38 CYS HBx A 43 TRP HE3 1.0 . 5.12 181 179 A 38 CYS H A 43 TRP HE3 1.0 . 4.29 182 180 A 44 THR H A 43 TRP HE3 1.0 . 3.98 183 181 A 37 GLU H A 43 TRP HE3 1.0 . 4.09 184 182 A 43 TRP HE3 A 36 VAL HB 1.0 . 3.46 185 183 A 36 VAL HGx% A 43 TRP HE3 1.0 . 5.00 186 184 A 36 VAL HGy% A 43 TRP HE3 1.0 . 3.58 187 185 A 12 ARG HBy A 27 PHE HD% 1.0 . 5.46 188 186 A 28 CYS H A 27 PHE HD% 1.0 . 4.29 189 187 A 27 PHE HD% A 12 ARG HGy 1.0 . 5.01 190 188 A 27 PHE HD% A 12 ARG HBx 1.0 . 5.50 191 189 A 27 PHE HD% A 12 ARG HGx 1.0 . 4.72 192 190 A 27 PHE H A 27 PHE HD% 1.0 . 4.16 193 191 A 31 ASP H A 11 GLN HE22 1.0 . 5.50 194 192 A 32 ARG H A 11 GLN HE22 1.0 . 4.97 195 193 A 8 GLY H A 11 GLN HE22 1.0 . 5.50 196 194 A 2 THR HB A 7 TYR HE% 1.0 . 3.97 197 195 A 8 GLY H A 7 TYR HE% 1.0 . 5.50 198 196 A 36 VAL H A 26 HIS HA 1.0 . 5.42 199 197 A 38 CYS H A 26 HIS HA 1.0 . 5.50 200 198 A 26 HIS HA A 62 ALA H 1.0 . 5.50 201 199 A 26 HIS HA A 27 PHE HD% 1.0 . 4.43 202 200 A 37 GLU HBx A 26 HIS HA 1.0 . 5.50 203 201 A 29 GLY HAy A 11 GLN HA 1.0 . 4.59 204 202 A 12 ARG HGy A 11 GLN HA 1.0 . 5.20 205 203 A 12 ARG HGx A 11 GLN HA 1.0 . 5.50 206 204 A 12 ARG H A 11 GLN HA 1.0 . 2.86 207 205 A 11 GLN HA A 28 CYS HBx 1.0 . 4.05 208 206 A 12 ARG HBy A 11 GLN HA 1.0 . 5.50 209 207 A 28 CYS HA A 35 ILE HG1x 1.0 . 5.50 210 208 A 34 GLY H A 28 CYS HA 1.0 . 5.42 211 209 A 27 PHE H A 36 VAL HA 1.0 . 5.50 212 210 A 36 VAL HA A 46 ILE HG1x 1.0 . 4.25 213 211 A 45 GLU H A 36 VAL HA 1.0 . 4.97 214 212 A 36 VAL HA A 45 GLU HBx 1.0 . 5.29 215 213 A 37 GLU HBx A 36 VAL HA 1.0 . 5.35 216 214 A 14 THR HG2% A 36 VAL HA 1.0 . 5.50 217 215 A 44 THR HG2% A 36 VAL HA 1.0 . 5.50 218 216 A 46 ILE HG2% A 36 VAL HA 1.0 . 4.80 219 217 A 38 CYS HBy A 37 GLU HA 1.0 . 5.03 220 218 A 38 CYS HBx A 37 GLU HA 1.0 . 5.16 221 219 A 38 CYS H A 37 GLU HA 1.0 . 3.02 222 220 A 44 THR H A 37 GLU HA 1.0 . 5.50 223 221 A 37 GLU HA A 35 ILE HG2% 1.0 . 5.50 224 222 A 36 VAL HGy% A 37 GLU HA 1.0 . 4.99 225 223 A 47 GLN HE21 A 48 ASP HA 1.0 . 4.84 226 224 A 48 ASP HA A 49 CYS HA 1.0 . 4.60 227 225 A 29 GLY HAy A 35 ILE HA 1.0 . 5.08 228 226 A 50 GLY H A 33 THR HA 1.0 . 5.50 229 227 A 43 TRP HD1 A 18 CYS HA 1.0 . 5.50 230 228 A 31 ASP HA A 52 ALA HB% 1.0 . 5.18 231 229 A 24 ASP HA A 25 ARG HA 1.0 . 4.99 232 230 A 31 ASP HA A 32 ARG HBy 1.0 . 5.50 233 231 A 9 VAL HB A 57 VAL HA 1.0 . 4.14 234 232 A 24 ASP HA A 25 ARG HGx 1.0 . 5.08 235 233 A 56 GLY H A 57 VAL HA 1.0 . 5.13 236 234 A 27 PHE HA A 27 PHE HE% 1.0 . 5.32 237 235 A 27 PHE HA A 27 PHE HD% 1.0 . 4.35 238 236 A 57 VAL HA A 55 ARG HDy 1.0 . 5.50 239 237 A 57 VAL HA A 10 ASP HBx 1.0 . 5.50 240 238 A 35 ILE HA A 35 ILE HG1x 1.0 . 3.60 241 239 A 62 ALA H A 27 PHE HA 1.0 . 4.25 242 240 A 3 CYS H A 2 THR HB 1.0 . 3.78 243 241 A 14 THR HG2% A 44 THR HA 1.0 . 5.50 244 242 A 15 ASN HD21 A 44 THR HA 1.0 . 5.50 245 243 A 64 CYS HA A 63 ARG HA 1.0 . 4.39 246 244 A 36 VAL HGy% A 43 TRP HA 1.0 . 4.92 247 245 A 38 CYS H A 43 TRP HA 1.0 . 5.50 248 246 A 55 ARG H A 62 ALA HA 1.0 . 5.50 249 247 A 27 PHE HE% A 59 GLN HA 1.0 . 5.50 250 248 A 52 ALA HB% A 53 SER HA 1.0 . 5.50 251 249 A 8 GLY HAy A 11 GLN HGy 1.0 . 5.50 252 250 A 7 TYR HD% A 8 GLY HAy 1.0 . 5.25 253 251 A 31 ASP HBx A 33 THR HB 1.0 . 5.50 254 252 A 51 GLY H A 33 THR HB 1.0 . 5.50 255 253 A 10 ASP HBy A 55 ARG HA 1.0 . 5.50 256 254 A 63 ARG H A 55 ARG HA 1.0 . 5.48 257 255 A 43 TRP H A 15 ASN HA 1.0 . 5.31 258 256 A 15 ASN HD22 A 15 ASN HA 1.0 . 5.50 259 257 A 15 ASN HD21 A 15 ASN HA 1.0 . 5.50 260 258 A 33 THR HG2% A 52 ALA HA 1.0 . 3.79 261 259 A 29 GLY HAy A 30 CYS HA 1.0 . 4.39 262 260 A 32 ARG H A 30 CYS HA 1.0 . 5.10 263 261 A 64 CYS HA A 63 ARG HGy 1.0 . 5.19 264 262 A 11 GLN H A 9 VAL HA 1.0 . 4.12 265 263 A 54 CYS H A 53 SER HBx 1.0 . 5.34 266 264 A 12 ARG HGy A 2 THR HA 1.0 . 5.50 267 265 A 3 CYS H A 2 THR HA 1.0 . 3.44 268 266 A 12 ARG HDx A 2 THR HA 1.0 . 3.86 269 267 A 12 ARG HBy A 2 THR HA 1.0 . 5.50 270 268 A 12 ARG HGx A 2 THR HA 1.0 . 5.50 271 269 A 43 TRP HE1 A 2 THR HA 1.0 . 5.50 272 270 A 13 ARG H A 2 THR HA 1.0 . 3.78 273 271 A 16 SER HBy A 17 PRO HGy 1.0 . 5.50 274 272 A 16 SER HBy A 1 ASP HBy 1.0 . 4.09 275 273 A 16 SER HBy A 17 PRO HGx 1.0 . 5.42 276 274 A 16 SER HBy A 13 ARG HG2 1.0 . 5.20 277 274 A 13 ARG HGy A 16 SER HBy 1.0 . 5.20 278 275 A 16 SER H A 16 SER HBy 1.0 . 4.10 279 276 A 13 ARG HBy A 16 SER HBy 1.0 . 4.72 280 277 A 43 TRP HD1 A 16 SER HBy 1.0 . 5.50 281 278 A 22 ASN H A 20 ALA HA 1.0 . 4.07 282 279 A 25 ARG HA A 25 ARG HDy 1.0 . 5.50 283 280 A 36 VAL HGy% A 29 GLY HAx 1.0 . 5.28 284 281 A 30 CYS HA A 29 GLY HAx 1.0 . 5.21 285 282 A 57 VAL HB A 58 SER HA 1.0 . 5.43 286 283 A 45 GLU H A 44 THR HB 1.0 . 4.64 287 284 A 27 PHE HE% A 25 ARG HA 1.0 . 5.48 288 285 A 44 THR H A 44 THR HB 1.0 . 2.98 289 286 A 44 THR HB A 39 LYS HBy 1.0 . 4.14 290 287 A 36 VAL HGx% A 29 GLY HAx 1.0 . 4.64 291 288 A 37 GLU H A 44 THR HB 1.0 . 4.18 292 289 A 31 ASP H A 29 GLY HAx 1.0 . 4.94 293 290 A 44 THR HB A 39 LYS HDy 1.0 . 4.85 294 291 A 44 THR HB A 39 LYS HG2 1.0 . 4.32 295 291 A 44 THR HB A 39 LYS HGy 1.0 . 4.32 296 292 A 44 THR HB A 39 LYS HE2 1.0 . 5.39 297 292 A 44 THR HB A 39 LYS HEy 1.0 . 5.39 298 293 A 35 ILE HA A 29 GLY HAx 1.0 . 4.72 299 294 A 58 SER H A 58 SER HBx 1.0 . 3.54 300 295 A 59 GLN H A 58 SER HBx 1.0 . 4.18 301 296 A 22 ASN H A 21 SER HBy 1.0 . 4.78 302 297 A 52 ALA H A 51 GLY HAy 1.0 . 3.22 303 298 A 7 TYR HD% A 5 GLY HAy 1.0 . 5.50 304 299 A 25 ARG H A 23 GLY HAy 1.0 . 4.65 305 300 A 7 TYR HBx A 5 GLY HAy 1.0 . 5.50 306 301 A 22 ASN H A 23 GLY HAy 1.0 . 5.50 307 302 A 6 GLY H A 5 GLY HAy 1.0 . 2.81 308 303 A 59 GLN H A 58 SER HBy 1.0 . 4.39 309 304 A 58 SER H A 58 SER HBy 1.0 . 3.27 310 305 A 1 ASP HBx A 17 PRO HDy 1.0 . 5.46 311 306 A 9 VAL HB A 58 SER HBy 1.0 . 3.89 312 307 A 52 ALA H A 51 GLY HAx 1.0 . 3.27 313 308 A 14 THR H A 14 THR HB 1.0 . 3.22 314 309 A 13 ARG H A 3 CYS HA 1.0 . 4.69 315 310 A 36 VAL HGx% A 14 THR HB 1.0 . 5.12 316 311 A 15 ASN H A 14 THR HB 1.0 . 4.24 317 312 A 16 SER H A 17 PRO HDy 1.0 . 5.22 318 313 A 21 SER H A 21 SER HBx 1.0 . 3.24 319 314 A 22 ASN H A 21 SER HBx 1.0 . 4.86 320 315 A 21 SER HBx A 20 ALA HB% 1.0 . 5.50 321 316 A 19 GLN HBy A 21 SER HBx 1.0 . 4.65 322 317 A 36 VAL HGx% A 34 GLY HAy 1.0 . 5.50 323 318 A 38 CYS HBy A 23 GLY HAx 1.0 . 5.50 324 319 A 23 GLY H A 23 GLY HAx 1.0 . 2.93 325 320 A 34 GLY HAy A 49 CYS HBy 1.0 . 5.50 326 321 A 6 GLY H A 5 GLY HAx 1.0 . 3.47 327 322 A 43 TRP HE1 A 12 ARG HA 1.0 . 5.50 328 323 A 4 GLY H A 5 GLY HAx 1.0 . 5.50 329 324 A 13 ARG H A 12 ARG HA 1.0 . 2.97 330 325 A 12 ARG HDx A 12 ARG HA 1.0 . 3.60 331 326 A 36 VAL HGy% A 12 ARG HA 1.0 . 5.50 332 327 A 57 VAL H A 56 GLY HAy 1.0 . 3.06 333 328 A 10 ASP HBy A 56 GLY HAy 1.0 . 4.15 334 329 A 10 ASP HBx A 56 GLY HAy 1.0 . 5.07 335 330 A 56 GLY HAy A 62 ALA HB% 1.0 . 4.79 336 331 A 56 GLY HAy A 57 VAL HGy% 1.0 . 4.07 337 332 A 43 TRP HD1 A 16 SER HBx 1.0 . 5.50 338 333 A 16 SER H A 16 SER HBx 1.0 . 3.50 339 334 A 18 CYS H A 41 GLY HAx 1.0 . 4.30 340 335 A 4 GLY HAx A 13 ARG HDx 1.0 . 5.01 341 336 A 16 SER HBx A 13 ARG HG2 1.0 . 4.07 342 336 A 13 ARG HGy A 16 SER HBx 1.0 . 4.07 343 337 A 13 ARG HBy A 16 SER HBx 1.0 . 4.11 344 338 A 62 ALA H A 61 GLY HA2 1.0 . 3.43 345 338 A 62 ALA H A 61 GLY HAy 1.0 . 3.43 346 339 A 56 GLY HAx A 61 GLY HA2 1.0 . 5.50 347 339 A 61 GLY HAy A 56 GLY HAx 1.0 . 5.50 348 340 A 8 GLY HAx A 11 GLN HGx 1.0 . 5.50 349 341 A 7 TYR HD% A 8 GLY HAx 1.0 . 5.27 350 342 A 10 ASP H A 8 GLY HAx 1.0 . 3.94 351 343 A 8 GLY HAx A 7 TYR HBy 1.0 . 5.26 352 344 A 8 GLY HAx A 11 GLN HGy 1.0 . 4.80 353 345 A 49 CYS H A 50 GLY HAx 1.0 . 5.08 354 346 A 50 GLY H A 50 GLY HAx 1.0 . 2.94 355 347 A 26 HIS H A 60 GLY HAy 1.0 . 4.43 356 348 A 62 ALA H A 60 GLY HAy 1.0 . 4.69 357 349 A 27 PHE HE% A 60 GLY HAy 1.0 . 5.50 358 350 A 44 THR H A 14 THR HA 1.0 . 5.50 359 351 A 16 SER H A 14 THR HA 1.0 . 3.98 360 352 A 14 THR HG2% A 14 THR HA 1.0 . 3.30 361 353 A 36 VAL HGy% A 14 THR HA 1.0 . 5.22 362 354 A 15 ASN H A 14 THR HA 1.0 . 2.63 363 355 A 33 THR HG2% A 32 ARG HA 1.0 . 5.45 364 356 A 11 GLN HE22 A 32 ARG HA 1.0 . 5.50 365 357 A 31 ASP H A 32 ARG HA 1.0 . 4.95 366 358 A 32 ARG HA A 54 CYS HBx 1.0 . 3.43 367 359 A 34 GLY H A 32 ARG HA 1.0 . 4.03 368 360 A 27 PHE HE% A 25 ARG HDy 1.0 . 5.28 369 361 A 49 CYS HBy A 34 GLY HAx 1.0 . 4.47 370 362 A 49 CYS HBy A 35 ILE HG1y 1.0 . 5.50 371 363 A 49 CYS H A 49 CYS HBy 1.0 . 3.84 372 364 A 50 GLY H A 49 CYS HBy 1.0 . 4.45 373 365 A 44 THR H A 43 TRP HBy 1.0 . 4.64 374 366 A 53 SER HBy A 52 ALA H 1.0 . 5.34 375 367 A 53 SER HBy A 53 SER H 1.0 . 3.45 376 368 A 36 VAL HGx% A 43 TRP HBy 1.0 . 4.99 377 369 A 15 ASN H A 43 TRP HBy 1.0 . 3.63 378 370 A 43 TRP H A 43 TRP HBy 1.0 . 3.11 379 371 A 16 SER H A 43 TRP HBy 1.0 . 3.62 380 372 A 43 TRP HBy A 16 SER HA 1.0 . 5.12 381 373 A 43 TRP HBy A 16 SER HBx 1.0 . 5.50 382 374 A 25 ARG H A 25 ARG HDx 1.0 . 5.18 383 375 A 27 PHE HE% A 25 ARG HDx 1.0 . 5.03 384 376 A 25 ARG HBy A 25 ARG HDx 1.0 . 3.95 385 377 A 25 ARG HBx A 25 ARG HDx 1.0 . 3.81 386 378 A 56 GLY H A 55 ARG HDy 1.0 . 5.50 387 379 A 62 ALA HA A 63 ARG HDy 1.0 . 5.50 388 380 A 13 ARG HDy A 3 CYS HBy 1.0 . 5.50 389 381 A 14 THR H A 13 ARG HDy 1.0 . 5.26 390 382 A 57 VAL HGy% A 63 ARG HDy 1.0 . 5.50 391 383 A 16 SER H A 15 ASN HBy 1.0 . 5.19 392 384 A 15 ASN HBy A 15 ASN HD22 1.0 . 4.05 393 385 A 14 THR HG2% A 15 ASN HBy 1.0 . 4.90 394 386 A 31 ASP HA A 32 ARG HDy 1.0 . 4.60 395 387 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.80 396 388 A 11 GLN HE21 A 55 ARG HDx 1.0 . 3.60 397 389 A 63 ARG H A 63 ARG HDx 1.0 . 5.32 398 390 A 4 GLY H A 13 ARG HDx 1.0 . 3.54 399 391 A 47 GLN HE22 A 64 CYS HBy 1.0 . 5.50 400 392 A 26 HIS H A 26 HIS HBy 1.0 . 3.27 401 393 A 62 ALA H A 26 HIS HBy 1.0 . 3.61 402 394 A 26 HIS HBy A 46 ILE HD1% 1.0 . 5.50 403 395 A 64 CYS H A 64 CYS HBy 1.0 . 3.71 404 396 A 27 PHE HA A 26 HIS HBy 1.0 . 4.87 405 397 A 49 CYS HBx A 50 GLY H 1.0 . 4.32 406 398 A 49 CYS HBx A 53 SER H 1.0 . 4.16 407 399 A 33 THR H A 31 ASP HBy 1.0 . 5.08 408 400 A 49 CYS HBx A 48 ASP HA 1.0 . 5.50 409 401 A 38 CYS H A 22 ASN HBy 1.0 . 5.17 410 402 A 19 GLN H A 22 ASN HBy 1.0 . 3.69 411 403 A 23 GLY H A 22 ASN HBy 1.0 . 4.47 412 404 A 22 ASN H A 22 ASN HBy 1.0 . 3.56 413 405 A 32 ARG H A 31 ASP HBy 1.0 . 4.86 414 406 A 11 GLN HE21 A 28 CYS HBy 1.0 . 3.98 415 407 A 28 CYS H A 28 CYS HBy 1.0 . 3.90 416 408 A 29 GLY H A 28 CYS HBy 1.0 . 3.73 417 409 A 17 PRO HGy A 1 ASP HBx 1.0 . 5.49 418 410 A 43 TRP HBy A 42 LYS HEy 1.0 . 5.50 419 410 A 43 TRP HBy A 42 LYS HE2 1.0 . 5.50 420 411 A 30 CYS H A 30 CYS HBy 1.0 . 3.90 421 412 A 31 ASP H A 30 CYS HBy 1.0 . 4.45 422 413 A 14 THR HA A 42 LYS HEy 1.0 . 5.50 423 413 A 42 LYS HE2 A 14 THR HA 1.0 . 5.50 424 414 A 42 LYS H A 42 LYS HEy 1.0 . 5.50 425 414 A 42 LYS H A 42 LYS HE2 1.0 . 5.50 426 415 A 24 ASP H A 24 ASP HBy 1.0 . 3.88 427 416 A 25 ARG H A 24 ASP HBy 1.0 . 5.38 428 417 A 56 GLY H A 10 ASP HBy 1.0 . 3.65 429 418 A 10 ASP H A 10 ASP HBy 1.0 . 4.08 430 419 A 11 GLN H A 10 ASP HBy 1.0 . 5.23 431 420 A 8 GLY H A 7 TYR HBy 1.0 . 3.10 432 421 A 7 TYR H A 7 TYR HBy 1.0 . 3.71 433 422 A 11 GLN HA A 10 ASP HBy 1.0 . 5.50 434 423 A 57 VAL HA A 10 ASP HBy 1.0 . 4.43 435 424 A 39 LYS HBx A 39 LYS HE2 1.0 . 4.30 436 424 A 39 LYS HEy A 39 LYS HBx 1.0 . 4.30 437 425 A 39 LYS HBy A 39 LYS HE2 1.0 . 4.09 438 425 A 39 LYS HBy A 39 LYS HEy 1.0 . 4.09 439 426 A 49 CYS H A 48 ASP HBy 1.0 . 4.70 440 427 A 50 GLY H A 48 ASP HBy 1.0 . 4.81 441 428 A 48 ASP H A 48 ASP HBy 1.0 . 3.15 442 429 A 27 PHE H A 26 HIS HBx 1.0 . 3.87 443 430 A 26 HIS H A 26 HIS HBx 1.0 . 3.85 444 431 A 62 ALA H A 26 HIS HBx 1.0 . 3.96 445 432 A 62 ALA HB% A 26 HIS HBx 1.0 . 3.83 446 433 A 35 ILE HG2% A 26 HIS HBx 1.0 . 3.30 447 434 A 61 GLY H A 26 HIS HBx 1.0 . 5.50 448 435 A 27 PHE HA A 26 HIS HBx 1.0 . 4.33 449 436 A 12 ARG HDx A 13 ARG H 1.0 . 4.91 450 437 A 53 SER H A 54 CYS HBy 1.0 . 4.82 451 438 A 54 CYS HBy A 34 GLY H 1.0 . 4.76 452 439 A 54 CYS H A 54 CYS HBy 1.0 . 3.01 453 440 A 6 GLY H A 7 TYR HBx 1.0 . 5.50 454 441 A 7 TYR H A 7 TYR HBx 1.0 . 3.18 455 442 A 7 TYR HBx A 3 CYS HBx 1.0 . 4.41 456 443 A 22 ASN H A 38 CYS HBy 1.0 . 5.16 457 444 A 38 CYS H A 38 CYS HBy 1.0 . 3.24 458 445 A 39 LYS H A 38 CYS HBy 1.0 . 5.06 459 446 A 44 THR H A 43 TRP HBx 1.0 . 4.20 460 447 A 36 VAL H A 27 PHE HBy 1.0 . 5.48 461 448 A 37 GLU H A 43 TRP HBx 1.0 . 5.19 462 449 A 15 ASN H A 43 TRP HBx 1.0 . 3.98 463 450 A 27 PHE H A 27 PHE HBy 1.0 . 4.11 464 451 A 16 SER H A 43 TRP HBx 1.0 . 4.41 465 452 A 36 VAL HGx% A 43 TRP HBx 1.0 . 4.13 466 453 A 36 VAL HGy% A 43 TRP HBx 1.0 . 3.60 467 454 A 12 ARG HBy A 27 PHE HBy 1.0 . 4.55 468 455 A 28 CYS H A 27 PHE HBy 1.0 . 2.91 469 456 A 33 THR HG2% A 31 ASP HBx 1.0 . 5.38 470 457 A 32 ARG H A 31 ASP HBx 1.0 . 5.16 471 458 A 49 CYS H A 48 ASP HBx 1.0 . 4.59 472 459 A 48 ASP H A 48 ASP HBx 1.0 . 3.32 473 460 A 30 CYS H A 30 CYS HBx 1.0 . 3.38 474 461 A 34 GLY HAy A 48 ASP HBx 1.0 . 5.50 475 462 A 50 GLY H A 48 ASP HBx 1.0 . 5.10 476 463 A 4 GLY H A 1 ASP HBy 1.0 . 5.50 477 464 A 24 ASP H A 24 ASP HBx 1.0 . 3.52 478 465 A 13 ARG HBy A 1 ASP HBy 1.0 . 4.31 479 466 A 25 ARG H A 24 ASP HBx 1.0 . 5.42 480 467 A 1 ASP HBy A 16 SER HBx 1.0 . 5.05 481 468 A 47 GLN HE22 A 64 CYS HBx 1.0 . 4.88 482 469 A 64 CYS H A 64 CYS HBx 1.0 . 3.08 483 470 A 28 CYS H A 28 CYS HBx 1.0 . 3.26 484 471 A 28 CYS HBx A 62 ALA HB% 1.0 . 5.50 485 472 A 57 VAL HB A 59 GLN HBx 1.0 . 5.50 486 473 A 54 CYS HBx A 32 ARG HGx 1.0 . 4.65 487 474 A 32 ARG H A 54 CYS HBx 1.0 . 5.27 488 475 A 60 GLY H A 57 VAL HB 1.0 . 5.03 489 476 A 58 SER H A 57 VAL HB 1.0 . 2.63 490 477 A 59 GLN H A 57 VAL HB 1.0 . 3.83 491 478 A 11 GLN HE21 A 28 CYS HBx 1.0 . 4.55 492 479 A 19 GLN H A 22 ASN HBx 1.0 . 3.14 493 480 A 23 GLY H A 22 ASN HBx 1.0 . 4.07 494 481 A 53 SER H A 54 CYS HBx 1.0 . 5.00 495 482 A 22 ASN H A 22 ASN HBx 1.0 . 3.02 496 483 A 38 CYS H A 37 GLU HGy 1.0 . 4.02 497 484 A 37 GLU HGy A 43 TRP HE3 1.0 . 5.50 498 485 A 59 GLN H A 59 GLN HG2 1.0 . 3.43 499 485 A 59 GLN H A 59 GLN HGy 1.0 . 3.43 500 486 A 59 GLN HGy A 58 SER HBx 1.0 . 5.50 501 486 A 58 SER HBx A 59 GLN HG2 1.0 . 5.50 502 487 A 60 GLY H A 59 GLN HG2 1.0 . 4.99 503 487 A 60 GLY H A 59 GLN HGy 1.0 . 4.99 504 488 A 57 VAL HGy% A 59 GLN HG2 1.0 . 4.53 505 488 A 57 VAL HGy% A 59 GLN HGy 1.0 . 4.53 506 489 A 43 TRP HE1 A 12 ARG HDy 1.0 . 4.00 507 490 A 12 ARG HDy A 12 ARG HBx 1.0 . 4.00 508 491 A 47 GLN HE21 A 47 GLN HGy 1.0 . 3.77 509 492 A 10 ASP H A 9 VAL HB 1.0 . 4.72 510 493 A 9 VAL H A 9 VAL HB 1.0 . 3.59 511 494 A 8 GLY H A 3 CYS HBy 1.0 . 5.19 512 495 A 3 CYS H A 3 CYS HBy 1.0 . 3.17 513 496 A 3 CYS HBy A 7 TYR HBy 1.0 . 3.74 514 497 A 4 GLY H A 3 CYS HBy 1.0 . 4.15 515 498 A 7 TYR H A 3 CYS HBy 1.0 . 4.28 516 499 A 27 PHE HE% A 60 GLY HAx 1.0 . 4.98 517 500 A 25 ARG HDx A 60 GLY HAx 1.0 . 5.50 518 501 A 59 GLN HBy A 59 GLN HG2 1.0 . 2.80 519 501 A 59 GLN HGy A 59 GLN HBy 1.0 . 2.80 520 502 A 57 VAL HGy% A 59 GLN HBy 1.0 . 5.11 521 503 A 59 GLN H A 59 GLN HBy 1.0 . 3.70 522 504 A 19 GLN H A 19 GLN HBy 1.0 . 3.68 523 505 A 45 GLU H A 45 GLU HGy 1.0 . 4.27 524 506 A 35 ILE H A 45 GLU HGy 1.0 . 4.27 525 507 A 46 ILE H A 45 GLU HGy 1.0 . 3.95 526 508 A 19 GLN HBy A 20 ALA HB% 1.0 . 5.50 527 509 A 38 CYS HBx A 37 GLU HGx 1.0 . 5.50 528 510 A 38 CYS H A 37 GLU HGx 1.0 . 3.83 529 511 A 8 GLY H A 11 GLN HBy 1.0 . 3.90 530 512 A 10 ASP H A 11 GLN HGy 1.0 . 4.41 531 513 A 7 TYR HBx A 11 GLN HBy 1.0 . 5.50 532 514 A 11 GLN HBy A 7 TYR HBy 1.0 . 4.26 533 515 A 45 GLU H A 45 GLU HGx 1.0 . 4.59 534 516 A 46 ILE H A 45 GLU HGx 1.0 . 4.27 535 517 A 35 ILE H A 45 GLU HGx 1.0 . 4.70 536 518 A 54 CYS H A 32 ARG HBy 1.0 . 3.37 537 519 A 33 THR H A 32 ARG HBy 1.0 . 5.50 538 520 A 54 CYS HBy A 32 ARG HBy 1.0 . 5.05 539 521 A 53 SER H A 32 ARG HBy 1.0 . 4.95 540 522 A 32 ARG HBy A 31 ASP HBy 1.0 . 5.50 541 523 A 47 GLN HE21 A 47 GLN HGx 1.0 . 3.96 542 524 A 56 GLY H A 10 ASP HBx 1.0 . 3.93 543 525 A 10 ASP H A 10 ASP HBx 1.0 . 3.61 544 526 A 57 VAL H A 10 ASP HBx 1.0 . 4.52 545 527 A 9 VAL HGy% A 10 ASP HBx 1.0 . 4.91 546 528 A 33 THR H A 32 ARG HBx 1.0 . 5.50 547 529 A 54 CYS H A 32 ARG HBx 1.0 . 4.08 548 530 A 53 SER H A 32 ARG HBx 1.0 . 5.50 549 531 A 45 GLU H A 45 GLU HBy 1.0 . 3.20 550 532 A 48 ASP H A 47 GLN HBx 1.0 . 4.47 551 533 A 35 ILE H A 47 GLN HBx 1.0 . 4.63 552 534 A 47 GLN H A 47 GLN HBx 1.0 . 3.43 553 535 A 47 GLN HBx A 35 ILE HB 1.0 . 4.58 554 536 A 38 CYS H A 37 GLU HBy 1.0 . 4.32 555 537 A 44 THR H A 36 VAL HB 1.0 . 3.80 556 538 A 37 GLU H A 36 VAL HB 1.0 . 3.00 557 539 A 27 PHE H A 37 GLU HBy 1.0 . 5.06 558 540 A 15 ASN H A 36 VAL HB 1.0 . 5.50 559 541 A 63 ARG HBy A 63 ARG H 1.0 . 4.13 560 542 A 56 GLY H A 55 ARG HB2 1.0 . 3.52 561 542 A 56 GLY H A 55 ARG HBy 1.0 . 3.52 562 543 A 55 ARG H A 55 ARG HB2 1.0 . 3.42 563 543 A 55 ARG H A 55 ARG HBy 1.0 . 3.42 564 544 A 20 ALA H A 19 GLN HBx 1.0 . 4.21 565 545 A 19 GLN H A 19 GLN HBx 1.0 . 3.17 566 546 A 22 ASN H A 19 GLN HBx 1.0 . 4.77 567 547 A 45 GLU H A 45 GLU HBx 1.0 . 3.17 568 548 A 46 ILE H A 45 GLU HBx 1.0 . 4.61 569 549 A 14 THR HG2% A 45 GLU HBx 1.0 . 4.09 570 550 A 25 ARG H A 25 ARG HGx 1.0 . 3.66 571 551 A 27 PHE HE% A 25 ARG HGx 1.0 . 5.50 572 552 A 11 GLN H A 11 GLN HBx 1.0 . 3.64 573 553 A 57 VAL HGy% A 59 GLN HBx 1.0 . 4.10 574 554 A 63 ARG H A 63 ARG HBx 1.0 . 3.98 575 555 A 59 GLN H A 59 GLN HBx 1.0 . 3.29 576 556 A 12 ARG H A 11 GLN HBx 1.0 . 3.74 577 557 A 11 GLN HE21 A 11 GLN HBx 1.0 . 4.05 578 558 A 11 GLN HBx A 11 GLN HE22 1.0 . 4.74 579 559 A 18 CYS H A 18 CYS HBy 1.0 . 3.93 580 560 A 19 GLN H A 18 CYS HBy 1.0 . 3.29 581 561 A 43 TRP HE1 A 18 CYS HBy 1.0 . 4.03 582 562 A 22 ASN H A 18 CYS HBy 1.0 . 5.50 583 563 A 40 GLY H A 39 LYS HBy 1.0 . 4.18 584 564 A 37 GLU H A 37 GLU HBx 1.0 . 3.64 585 565 A 55 ARG H A 55 ARG HGy 1.0 . 4.37 586 566 A 46 ILE HG2% A 37 GLU HBx 1.0 . 4.16 587 567 A 38 CYS H A 37 GLU HBx 1.0 . 4.83 588 568 A 39 LYS H A 39 LYS HBy 1.0 . 3.73 589 569 A 64 CYS H A 63 ARG HGx 1.0 . 5.03 590 570 A 56 GLY H A 55 ARG HGy 1.0 . 4.75 591 571 A 11 GLN HE21 A 55 ARG HGy 1.0 . 4.48 592 572 A 61 GLY H A 25 ARG HBx 1.0 . 5.29 593 573 A 26 HIS H A 25 ARG HBx 1.0 . 3.84 594 574 A 25 ARG H A 25 ARG HBx 1.0 . 3.66 595 575 A 32 ARG H A 32 ARG HGy 1.0 . 4.25 596 576 A 39 LYS HBx A 40 GLY HA2 1.0 . 5.50 597 577 A 11 GLN HE22 A 32 ARG HGy 1.0 . 3.69 598 578 A 40 GLY H A 39 LYS HBx 1.0 . 4.86 599 579 A 11 GLN HE21 A 11 GLN HGx 1.0 . 3.50 600 580 A 44 THR H A 39 LYS HBx 1.0 . 5.50 601 581 A 8 GLY H A 11 GLN HGx 1.0 . 5.21 602 582 A 12 ARG H A 11 GLN HGx 1.0 . 4.94 603 583 A 28 CYS HBx A 11 GLN HGx 1.0 . 3.76 604 584 A 28 CYS H A 11 GLN HGx 1.0 . 5.02 605 585 A 39 LYS H A 39 LYS HBx 1.0 . 3.69 606 586 A 35 ILE H A 47 GLN HBy 1.0 . 4.21 607 587 A 46 ILE H A 47 GLN HBy 1.0 . 5.50 608 588 A 36 VAL H A 27 PHE HBx 1.0 . 5.15 609 589 A 47 GLN HE22 A 47 GLN HBy 1.0 . 5.50 610 590 A 12 ARG HGx A 27 PHE HBx 1.0 . 4.62 611 591 A 48 ASP H A 47 GLN HBy 1.0 . 5.00 612 592 A 28 CYS H A 27 PHE HBx 1.0 . 4.12 613 593 A 27 PHE H A 27 PHE HBx 1.0 . 3.51 614 594 A 11 GLN HA A 27 PHE HBx 1.0 . 5.50 615 595 A 48 ASP HA A 47 GLN HBy 1.0 . 5.50 616 596 A 18 CYS H A 18 CYS HBx 1.0 . 4.05 617 597 A 43 TRP HE1 A 18 CYS HBx 1.0 . 3.59 618 598 A 15 ASN H A 42 LYS HDx 1.0 . 5.50 619 599 A 14 THR H A 13 ARG HG2 1.0 . 4.04 620 599 A 14 THR H A 13 ARG HGy 1.0 . 4.04 621 600 A 4 GLY H A 13 ARG HG2 1.0 . 4.39 622 600 A 4 GLY H A 13 ARG HGy 1.0 . 4.39 623 601 A 42 LYS HDx A 42 LYS HA 1.0 . 5.50 624 602 A 8 GLY H A 3 CYS HBx 1.0 . 5.50 625 603 A 2 THR HB A 3 CYS HBx 1.0 . 4.24 626 604 A 3 CYS H A 3 CYS HBx 1.0 . 3.91 627 605 A 14 THR H A 13 ARG HBy 1.0 . 4.60 628 606 A 36 VAL H A 35 ILE HB 1.0 . 4.88 629 607 A 46 ILE H A 35 ILE HB 1.0 . 4.78 630 608 A 35 ILE H A 35 ILE HB 1.0 . 3.12 631 609 A 47 GLN H A 35 ILE HB 1.0 . 3.96 632 610 A 46 ILE HD1% A 35 ILE HB 1.0 . 4.59 633 611 A 16 SER H A 13 ARG HBy 1.0 . 5.02 634 612 A 48 ASP HA A 35 ILE HB 1.0 . 5.41 635 613 A 44 THR H A 42 LYS HDy 1.0 . 5.50 636 614 A 15 ASN H A 42 LYS HDy 1.0 . 5.50 637 615 A 42 LYS HA A 42 LYS HDy 1.0 . 5.50 638 616 A 34 GLY HAy A 35 ILE HG1x 1.0 . 5.50 639 617 A 20 ALA H A 20 ALA HB% 1.0 . 3.02 640 618 A 21 SER H A 20 ALA HB% 1.0 . 3.79 641 619 A 22 ASN H A 20 ALA HB% 1.0 . 5.20 642 620 A 28 CYS HBy A 35 ILE HG1x 1.0 . 4.66 643 621 A 49 CYS H A 35 ILE HG1x 1.0 . 5.50 644 622 A 35 ILE H A 35 ILE HG1x 1.0 . 3.66 645 623 A 16 SER H A 42 LYS HB2 1.0 . 4.80 646 623 A 16 SER H A 42 LYS HBy 1.0 . 4.80 647 624 A 42 LYS HBy A 42 LYS HEy 1.0 . 5.08 648 624 A 42 LYS HB2 A 42 LYS HEy 1.0 . 5.08 649 624 A 42 LYS HE2 A 42 LYS HB2 1.0 . 5.08 650 624 A 42 LYS HE2 A 42 LYS HBy 1.0 . 5.08 651 625 A 54 CYS HBy A 32 ARG HGx 1.0 . 5.50 652 626 A 15 ASN H A 42 LYS HB2 1.0 . 4.46 653 626 A 15 ASN H A 42 LYS HBy 1.0 . 4.46 654 627 A 43 TRP H A 42 LYS HB2 1.0 . 3.37 655 627 A 43 TRP H A 42 LYS HBy 1.0 . 3.37 656 628 A 42 LYS H A 42 LYS HB2 1.0 . 3.44 657 628 A 42 LYS H A 42 LYS HBy 1.0 . 3.44 658 629 A 54 CYS H A 32 ARG HGx 1.0 . 5.36 659 630 A 44 THR H A 42 LYS HB2 1.0 . 5.50 660 630 A 44 THR H A 42 LYS HBy 1.0 . 5.50 661 631 A 11 GLN HE22 A 32 ARG HGx 1.0 . 4.55 662 632 A 32 ARG H A 32 ARG HGx 1.0 . 4.53 663 633 A 11 GLN HE21 A 32 ARG HGx 1.0 . 4.48 664 634 A 28 CYS HBy A 32 ARG HGx 1.0 . 4.70 665 635 A 38 CYS H A 39 LYS HG2 1.0 . 5.50 666 635 A 38 CYS H A 39 LYS HGy 1.0 . 5.50 667 636 A 44 THR H A 39 LYS HG2 1.0 . 5.49 668 636 A 44 THR H A 39 LYS HGy 1.0 . 5.49 669 637 A 39 LYS H A 39 LYS HG2 1.0 . 4.25 670 637 A 39 LYS H A 39 LYS HGy 1.0 . 4.25 671 638 A 37 GLU HGy A 39 LYS HG2 1.0 . 5.49 672 638 A 37 GLU HGy A 39 LYS HGy 1.0 . 5.49 673 639 A 40 GLY H A 39 LYS HG2 1.0 . 4.74 674 639 A 40 GLY H A 39 LYS HGy 1.0 . 4.74 675 640 A 33 THR H A 52 ALA HB% 1.0 . 5.40 676 641 A 33 THR HG2% A 52 ALA HB% 1.0 . 3.80 677 642 A 54 CYS H A 52 ALA HB% 1.0 . 5.16 678 643 A 52 ALA H A 52 ALA HB% 1.0 . 3.09 679 644 A 53 SER H A 52 ALA HB% 1.0 . 4.37 680 645 A 52 ALA HB% A 32 ARG HGy 1.0 . 5.22 681 646 A 15 ASN H A 14 THR HG2% 1.0 . 3.43 682 647 A 44 THR H A 14 THR HG2% 1.0 . 5.50 683 648 A 45 GLU H A 14 THR HG2% 1.0 . 3.80 684 649 A 14 THR HG2% A 15 ASN HD21 1.0 . 4.53 685 650 A 14 THR HG2% A 15 ASN HD22 1.0 . 4.35 686 651 A 14 THR HG2% A 43 TRP HA 1.0 . 5.50 687 652 A 14 THR HG2% A 43 TRP HBy 1.0 . 5.50 688 653 A 44 THR HG2% A 44 THR H 1.0 . 4.29 689 654 A 44 THR HG2% A 45 GLU H 1.0 . 3.55 690 655 A 37 GLU H A 44 THR HG2% 1.0 . 4.94 691 656 A 38 CYS HBx A 22 ASN HBx 1.0 . 3.86 692 657 A 38 CYS H A 38 CYS HBx 1.0 . 3.27 693 658 A 19 GLN H A 38 CYS HBx 1.0 . 4.47 694 659 A 15 ASN H A 42 LYS HG2 1.0 . 5.37 695 659 A 15 ASN H A 42 LYS HGy 1.0 . 5.37 696 660 A 43 TRP H A 42 LYS HG2 1.0 . 4.59 697 660 A 43 TRP H A 42 LYS HGy 1.0 . 4.59 698 661 A 13 ARG H A 13 ARG HBx 1.0 . 3.26 699 662 A 4 GLY H A 13 ARG HBx 1.0 . 3.70 700 663 A 3 CYS H A 13 ARG HBx 1.0 . 3.80 701 664 A 2 THR HG2% A 2 THR H 1.0 . 3.46 702 665 A 12 ARG HDx A 2 THR HG2% 1.0 . 4.03 703 666 A 57 VAL HA A 9 VAL HGx% 1.0 . 5.08 704 667 A 10 ASP H A 9 VAL HGx% 1.0 . 4.44 705 668 A 58 SER H A 9 VAL HGx% 1.0 . 5.25 706 669 A 9 VAL H A 9 VAL HGx% 1.0 . 3.18 707 670 A 46 ILE H A 46 ILE HG1y 1.0 . 3.58 708 671 A 47 GLN H A 46 ILE HG1y 1.0 . 3.85 709 672 A 47 GLN HBy A 46 ILE HG1y 1.0 . 5.35 710 673 A 35 ILE H A 46 ILE HG1y 1.0 . 5.46 711 674 A 28 CYS H A 62 ALA HB% 1.0 . 4.28 712 675 A 27 PHE H A 62 ALA HB% 1.0 . 4.52 713 676 A 63 ARG H A 62 ALA HB% 1.0 . 3.56 714 677 A 62 ALA H A 62 ALA HB% 1.0 . 3.04 715 678 A 27 PHE HD% A 62 ALA HB% 1.0 . 5.50 716 679 A 33 THR HG2% A 31 ASP HBy 1.0 . 4.64 717 680 A 10 ASP H A 9 VAL HGy% 1.0 . 3.76 718 681 A 9 VAL HGy% A 9 VAL H 1.0 . 3.14 719 682 A 52 ALA H A 33 THR HG2% 1.0 . 4.36 720 683 A 33 THR H A 33 THR HG2% 1.0 . 3.33 721 684 A 32 ARG H A 33 THR HG2% 1.0 . 5.50 722 685 A 9 VAL HGy% A 8 GLY HAx 1.0 . 5.50 723 686 A 33 THR HG2% A 31 ASP HA 1.0 . 4.19 724 687 A 57 VAL H A 57 VAL HGx% 1.0 . 4.06 725 688 A 37 GLU H A 46 ILE HG2% 1.0 . 3.48 726 689 A 46 ILE HG2% A 44 THR H 1.0 . 5.50 727 690 A 29 GLY H A 35 ILE HG1y 1.0 . 5.50 728 691 A 47 GLN HE21 A 35 ILE HG1y 1.0 . 5.06 729 692 A 46 ILE H A 46 ILE HG1x 1.0 . 3.28 730 693 A 47 GLN H A 46 ILE HG1x 1.0 . 4.05 731 694 A 36 VAL H A 35 ILE HG2% 1.0 . 3.38 732 695 A 27 PHE H A 35 ILE HG2% 1.0 . 3.95 733 696 A 57 VAL HGy% A 59 GLN HE21 1.0 . 5.13 734 697 A 57 VAL H A 57 VAL HGy% 1.0 . 3.20 735 698 A 58 SER H A 57 VAL HGy% 1.0 . 3.87 736 699 A 61 GLY H A 57 VAL HGy% 1.0 . 5.05 737 700 A 60 GLY H A 57 VAL HGy% 1.0 . 3.61 738 701 A 59 GLN H A 57 VAL HGy% 1.0 . 3.16 739 702 A 57 VAL HGy% A 59 GLN HE22 1.0 . 5.50 740 703 A 35 ILE HD1% A 49 CYS HA 1.0 . 4.39 741 704 A 49 CYS H A 35 ILE HD1% 1.0 . 5.50 742 705 A 35 ILE HD1% A 63 ARG H 1.0 . 4.67 743 706 A 35 ILE HD1% A 35 ILE H 1.0 . 4.41 744 707 A 36 VAL HGx% A 35 ILE HA 1.0 . 4.92 745 708 A 35 ILE HD1% A 63 ARG HBy 1.0 . 5.20 746 709 A 15 ASN H A 36 VAL HGx% 1.0 . 4.84 747 710 A 44 THR H A 36 VAL HGx% 1.0 . 4.96 748 711 A 45 GLU H A 36 VAL HGx% 1.0 . 4.36 749 712 A 36 VAL H A 36 VAL HGx% 1.0 . 3.89 750 713 A 46 ILE H A 36 VAL HGx% 1.0 . 3.78 751 714 A 36 VAL HGx% A 45 GLU HGy 1.0 . 4.74 752 715 A 36 VAL HGx% A 45 GLU HGx 1.0 . 4.93 753 716 A 14 THR HG2% A 36 VAL HGx% 1.0 . 3.82 754 717 A 36 VAL HGy% A 44 THR H 1.0 . 5.27 755 718 A 36 VAL HGy% A 36 VAL H 1.0 . 3.20 756 719 A 36 VAL HGy% A 12 ARG H 1.0 . 4.61 757 720 A 36 VAL HGy% A 29 GLY H 1.0 . 4.68 758 721 A 36 VAL HGy% A 27 PHE HBx 1.0 . 3.53 759 722 A 36 VAL HGy% A 12 ARG HBy 1.0 . 3.60 760 723 A 36 VAL HGy% A 38 CYS H 1.0 . 5.50 761 724 A 36 VAL HGy% A 15 ASN H 1.0 . 5.50 762 725 A 36 VAL HGy% A 27 PHE H 1.0 . 3.45 763 726 A 36 VAL HGy% A 13 ARG H 1.0 . 5.06 764 727 A 36 VAL HGy% A 12 ARG HGx 1.0 . 4.93 765 728 A 47 GLN H A 46 ILE HD1% 1.0 . 4.29 766 729 A 37 GLU HGy A 46 ILE HD1% 1.0 . 5.50 767 730 A 37 GLU HBx A 46 ILE HD1% 1.0 . 4.64 768 731 A 46 ILE HG2% A 46 ILE HD1% 1.0 . 3.61 769 732 A 27 PHE HA A 12 ARG HGy 1.0 . 5.50 770 733 A 43 TRP HE1 A 12 ARG HGy 1.0 . 5.50 771 734 A 28 CYS H A 12 ARG HGy 1.0 . 5.50 772 735 A 12 ARG H A 12 ARG HGy 1.0 . 4.39 773 736 A 11 GLN H A 12 ARG HGy 1.0 . 5.50 774 737 A 13 ARG H A 12 ARG HGy 1.0 . 5.29 775 738 A 12 ARG HGy A 27 PHE HBy 1.0 . 4.16 776 739 A 12 ARG HGy A 27 PHE HBx 1.0 . 4.48 777 740 A 27 PHE HE% A 12 ARG HGy 1.0 . 5.50 778 741 A 36 VAL HGy% A 12 ARG HGy 1.0 . 5.34 779 742 A 12 ARG HBy A 12 ARG H 1.0 . 3.68 780 743 A 12 ARG HBy A 27 PHE HBx 1.0 . 4.58 781 744 A 12 ARG HBy A 13 ARG H 1.0 . 4.09 782 745 A 43 TRP HE1 A 12 ARG HBx 1.0 . 4.42 783 746 A 13 ARG H A 12 ARG HBx 1.0 . 3.53 784 747 A 12 ARG HBx A 43 TRP HBx 1.0 . 4.96 785 748 A 12 ARG HBx A 27 PHE HBx 1.0 . 5.29 786 749 A 2 THR HG2% A 12 ARG HBx 1.0 . 5.50 787 750 A 36 VAL HGy% A 12 ARG HBx 1.0 . 4.33 788 751 A 36 VAL HGx% A 12 ARG HBx 1.0 . 5.50 789 752 A 43 TRP HE1 A 12 ARG HGx 1.0 . 5.29 790 753 A 12 ARG H A 12 ARG HGx 1.0 . 5.00 791 754 A 27 PHE HE% A 12 ARG HGx 1.0 . 5.11 792 755 A 13 ARG H A 12 ARG HGx 1.0 . 4.81 793 756 A 12 ARG HGx A 27 PHE HBy 1.0 . 4.65 794 757 A 38 CYS H A 39 LYS HE2 1.0 . 5.50 795 757 A 38 CYS H A 39 LYS HEy 1.0 . 5.50 796 758 A 42 LYS H A 39 LYS H 1.0 . 3.78 797 759 A 39 LYS H A 42 LYS HG2 1.0 . 4.69 798 759 A 39 LYS H A 42 LYS HGy 1.0 . 4.69 799 760 A 39 LYS H A 40 GLY H 1.0 . 5.50 800 761 A 43 TRP HE1 A 18 CYS HA 1.0 . 4.30 801 762 A 55 ARG H A 54 CYS HBy 1.0 . 4.77 802 763 A 55 ARG H A 63 ARG HGx 1.0 . 3.99 803 763 A 55 ARG H A 63 ARG HGy 1.0 . 3.99 804 764 A 55 ARG H A 62 ALA HB% 1.0 . 5.24 805 765 A 55 ARG H A 54 CYS HBx 1.0 . 5.50 806 766 A 14 THR H A 16 SER HBx 1.0 . 4.74 807 767 A 14 THR H A 29 GLY HAy 1.0 . 5.22 808 768 A 45 GLU H A 14 THR HA 1.0 . 5.50 809 769 A 45 GLU H A 45 GLU HGx 1.0 . 4.37 810 769 A 45 GLU H A 45 GLU HGy 1.0 . 4.37 811 770 A 48 ASP H A 47 GLN HGy 1.0 . 3.94 812 771 A 48 ASP H A 47 GLN HGx 1.0 . 3.92 813 772 A 48 ASP H A 49 CYS HA 1.0 . 5.31 814 773 A 20 ALA H A 19 GLN HG2 1.0 . 4.58 815 773 A 20 ALA H A 19 GLN HGy 1.0 . 4.58 816 774 A 20 ALA H A 19 GLN HBy 1.0 . 3.60 817 775 A 23 GLY H A 24 ASP H 1.0 . 4.41 818 776 A 24 ASP H A 23 GLY HAy 1.0 . 3.17 819 777 A 24 ASP H A 23 GLY HAx 1.0 . 3.39 820 778 A 24 ASP H A 25 ARG HGy 1.0 . 5.02 821 779 A 43 TRP H A 14 THR HA 1.0 . 4.92 822 780 A 43 TRP H A 42 LYS H 1.0 . 4.47 823 781 A 43 TRP H A 43 TRP HBx 1.0 . 3.86 824 782 A 43 TRP H A 18 CYS HBx 1.0 . 4.69 825 783 A 12 ARG H A 29 GLY HAy 1.0 . 4.26 826 784 A 12 ARG H A 27 PHE HBy 1.0 . 4.69 827 785 A 12 ARG H A 11 GLN HBy 1.0 . 4.00 828 786 A 12 ARG H A 30 CYS H 1.0 . 5.38 829 787 A 64 CYS H A 47 GLN HE22 1.0 . 5.09 830 788 A 64 CYS H A 63 ARG HBx 1.0 . 3.64 831 789 A 64 CYS H A 63 ARG H 1.0 . 4.36 832 790 A 52 ALA H A 33 THR HA 1.0 . 5.50 833 791 A 52 ALA H A 51 GLY HAx 1.0 . 3.15 834 791 A 52 ALA H A 51 GLY HAy 1.0 . 3.15 835 792 A 49 CYS H A 34 GLY HAx 1.0 . 4.28 836 793 A 49 CYS H A 34 GLY H 1.0 . 4.83 837 794 A 49 CYS H A 33 THR HG2% 1.0 . 5.50 838 795 A 54 CYS H A 52 ALA HA 1.0 . 4.01 839 796 A 54 CYS H A 32 ARG HA 1.0 . 4.24 840 797 A 49 CYS HBx A 54 CYS H 1.0 . 4.62 841 798 A 54 CYS H A 54 CYS HBx 1.0 . 3.24 842 799 A 37 GLU H A 45 GLU HA 1.0 . 4.47 843 800 A 37 GLU H A 36 VAL HA 1.0 . 2.79 844 801 A 37 GLU H A 43 TRP HA 1.0 . 4.55 845 802 A 37 GLU H A 36 VAL HGx% 1.0 . 4.23 846 803 A 37 GLU H A 46 ILE HD1% 1.0 . 4.59 847 804 A 37 GLU H A 36 VAL H 1.0 . 4.96 848 805 A 37 GLU H A 37 GLU HGx 1.0 . 5.50 849 806 A 37 GLU H A 27 PHE H 1.0 . 5.29 850 807 A 47 GLN H A 34 GLY HAy 1.0 . 5.50 851 808 A 47 GLN H A 45 GLU HA 1.0 . 3.91 852 809 A 47 GLN H A 45 GLU HGx 1.0 . 3.50 853 809 A 47 GLN H A 45 GLU HGy 1.0 . 3.50 854 810 A 47 GLN H A 47 GLN HBy 1.0 . 3.75 855 811 A 46 ILE H A 45 GLU HGx 1.0 . 3.98 856 811 A 46 ILE H A 45 GLU HGy 1.0 . 3.98 857 812 A 46 ILE H A 46 ILE HB 1.0 . 4.03 858 813 A 46 ILE H A 46 ILE HD1% 1.0 . 5.50 859 814 A 38 CYS HBx A 22 ASN H 1.0 . 5.42 860 815 A 62 ALA H A 63 ARG H 1.0 . 4.61 861 816 A 62 ALA H A 60 GLY HAx 1.0 . 4.39 862 817 A 19 GLN H A 19 GLN HG2 1.0 . 3.58 863 817 A 19 GLN H A 19 GLN HGy 1.0 . 3.58 864 818 A 35 ILE H A 34 GLY HAy 1.0 . 3.08 865 819 A 35 ILE H A 34 GLY HAx 1.0 . 3.35 866 820 A 35 ILE H A 45 GLU HGx 1.0 . 4.35 867 820 A 35 ILE H A 45 GLU HGy 1.0 . 4.35 868 821 A 35 ILE H A 35 ILE HG1x 1.0 . 4.27 869 821 A 35 ILE H A 35 ILE HG1y 1.0 . 4.27 870 822 A 35 ILE H A 35 ILE HG2% 1.0 . 4.19 871 823 A 35 ILE H A 34 GLY H 1.0 . 5.50 872 824 A 42 LYS H A 42 LYS HG2 1.0 . 3.82 873 824 A 42 LYS H A 42 LYS HGy 1.0 . 3.82 874 825 A 7 TYR H A 3 CYS HBx 1.0 . 5.50 875 826 A 26 HIS H A 25 ARG H 1.0 . 5.50 876 827 A 26 HIS H A 60 GLY HAx 1.0 . 4.86 877 828 A 26 HIS H A 25 ARG HBy 1.0 . 4.16 878 829 A 26 HIS H A 25 ARG HGx 1.0 . 4.71 879 830 A 26 HIS H A 62 ALA HB% 1.0 . 5.50 880 831 A 26 HIS H A 35 ILE HG2% 1.0 . 5.50 881 832 A 36 VAL H A 47 GLN H 1.0 . 5.50 882 833 A 63 ARG H A 54 CYS HA 1.0 . 5.50 883 834 A 64 CYS HA A 63 ARG H 1.0 . 5.03 884 835 A 63 ARG H A 56 GLY HAx 1.0 . 5.17 885 836 A 63 ARG H A 63 ARG HDy 1.0 . 4.62 886 837 A 36 VAL H A 35 ILE HA 1.0 . 2.81 887 838 A 36 VAL H A 26 HIS HBx 1.0 . 5.25 888 839 A 25 ARG H A 25 ARG HDy 1.0 . 5.07 889 840 A 26 HIS HA A 25 ARG H 1.0 . 5.44 890 841 A 25 ARG H A 22 ASN HBy 1.0 . 5.37 891 842 A 25 ARG H A 25 ARG HGy 1.0 . 2.99 892 843 A 11 GLN H A 11 GLN HGx 1.0 . 4.55 893 843 A 11 GLN H A 11 GLN HGy 1.0 . 4.55 894 844 A 9 VAL HGy% A 11 GLN H 1.0 . 5.50 895 845 A 11 GLN H A 27 PHE HE% 1.0 . 4.48 896 846 A 11 GLN H A 8 GLY HAx 1.0 . 5.07 897 847 A 11 GLN H A 10 ASP HBx 1.0 . 4.99 898 848 A 2 THR HG2% A 11 GLN H 1.0 . 5.50 899 849 A 12 ARG H A 28 CYS H 1.0 . 4.56 900 850 A 27 PHE HA A 28 CYS H 1.0 . 3.32 901 851 A 12 ARG H A 11 GLN H 1.0 . 5.50 902 852 A 10 ASP H A 27 PHE HE% 1.0 . 5.49 903 853 A 29 GLY H A 28 CYS H 1.0 . 4.73 904 854 A 36 VAL HGx% A 30 CYS H 1.0 . 5.50 905 855 A 32 ARG H A 30 CYS H 1.0 . 5.14 906 856 A 30 CYS H A 29 GLY HAy 1.0 . 3.25 907 857 A 30 CYS H A 13 ARG HA 1.0 . 4.29 908 858 A 30 CYS H A 29 GLY HAx 1.0 . 3.43 909 859 A 30 CYS H A 11 GLN HA 1.0 . 5.50 910 860 A 13 ARG H A 13 ARG HBy 1.0 . 3.29 911 861 A 11 GLN HE21 A 11 GLN HBy 1.0 . 4.76 912 862 A 11 GLN HE21 A 11 GLN HGx 1.0 . 4.01 913 862 A 11 GLN HE21 A 11 GLN HGy 1.0 . 4.01 914 863 A 11 GLN HBy A 11 GLN HE22 1.0 . 5.10 915 864 A 58 SER H A 59 GLN HBx 1.0 . 5.50 916 865 A 58 SER H A 57 VAL HGx% 1.0 . 3.84 917 866 A 16 SER H A 43 TRP HA 1.0 . 5.08 918 867 A 16 SER H A 14 THR HB 1.0 . 5.14 919 868 A 16 SER H A 13 ARG HG2 1.0 . 4.66 920 868 A 16 SER H A 13 ARG HGy 1.0 . 4.66 921 869 A 11 GLN HE21 A 30 CYS HA 1.0 . 4.17 922 870 A 57 VAL H A 58 SER H 1.0 . 4.44 923 871 A 57 VAL H A 56 GLY HAx 1.0 . 3.02 924 872 A 57 VAL H A 60 GLY HAy 1.0 . 5.10 925 873 A 57 VAL H A 10 ASP HBy 1.0 . 4.43 926 874 A 58 SER H A 57 VAL HA 1.0 . 3.09 927 875 A 58 SER H A 58 SER HBy 1.0 . 3.31 928 875 A 58 SER H A 58 SER HBx 1.0 . 3.31 929 876 A 58 SER H A 59 GLN HG2 1.0 . 4.64 930 876 A 58 SER H A 59 GLN HGy 1.0 . 4.64 931 877 A 31 ASP H A 33 THR HG2% 1.0 . 5.50 932 878 A 31 ASP H A 31 ASP HBx 1.0 . 3.51 933 879 A 59 GLN H A 59 GLN HE21 1.0 . 4.59 934 880 A 59 GLN H A 57 VAL HGx% 1.0 . 5.03 935 881 A 3 CYS H A 2 THR H 1.0 . 5.50 936 882 A 9 VAL H A 8 GLY HAy 1.0 . 3.00 937 883 A 9 VAL H A 8 GLY HAx 1.0 . 3.34 938 884 A 40 GLY H A 39 LYS HE2 1.0 . 5.50 939 884 A 40 GLY H A 39 LYS HEy 1.0 . 5.50 940 885 A 40 GLY H A 41 GLY HAy 1.0 . 5.01 941 886 A 40 GLY H A 40 GLY HAy 1.0 . 2.82 942 886 A 40 GLY H A 40 GLY HA2 1.0 . 2.82 943 887 A 53 SER H A 33 THR HA 1.0 . 4.03 944 888 A 53 SER H A 53 SER HBx 1.0 . 3.66 945 889 A 53 SER H A 33 THR HG2% 1.0 . 5.20 946 890 A 16 SER H A 15 ASN HD21 1.0 . 5.29 947 891 A 19 GLN H A 18 CYS H 1.0 . 5.50 948 892 A 18 CYS H A 17 PRO HGx 1.0 . 5.50 949 893 A 18 CYS H A 42 LYS HB2 1.0 . 5.50 950 893 A 18 CYS H A 42 LYS HBy 1.0 . 5.50 951 894 A 18 CYS H A 41 GLY HAy 1.0 . 5.03 952 895 A 18 CYS H A 17 PRO HBy 1.0 . 3.93 953 896 A 18 CYS H A 17 PRO HBx 1.0 . 4.03 954 897 A 15 ASN HD22 A 14 THR HB 1.0 . 5.50 955 898 A 15 ASN HD22 A 42 LYS HDx 1.0 . 5.50 956 899 A 56 GLY H A 63 ARG HDy 1.0 . 5.25 957 900 A 56 GLY H A 55 ARG HGx 1.0 . 4.45 958 901 A 56 GLY H A 9 VAL HGy% 1.0 . 5.43 959 902 A 21 SER H A 19 GLN HBy 1.0 . 3.42 960 903 A 21 SER H A 19 GLN HBx 1.0 . 4.08 961 904 A 21 SER H A 22 ASN HA 1.0 . 5.14 962 905 A 21 SER H A 21 SER HBy 1.0 . 3.74 963 906 A 21 SER H A 19 GLN HG2 1.0 . 4.46 964 906 A 21 SER H A 19 GLN HGy 1.0 . 4.46 965 907 A 50 GLY H A 48 ASP HA 1.0 . 4.20 966 908 A 50 GLY H A 33 THR HG2% 1.0 . 5.50 967 909 A 60 GLY H A 27 PHE HE% 1.0 . 4.11 968 910 A 60 GLY H A 57 VAL HGx% 1.0 . 5.49 969 911 A 60 GLY H A 57 VAL HA 1.0 . 5.42 970 912 A 60 GLY H A 56 GLY HAx 1.0 . 5.22 971 913 A 60 GLY H A 59 GLN HBx 1.0 . 5.44 972 914 A 59 GLN H A 59 GLN HE22 1.0 . 5.23 973 915 A 61 GLY H A 25 ARG HBy 1.0 . 5.42 974 916 A 27 PHE HA A 61 GLY H 1.0 . 5.50 975 917 A 61 GLY H A 25 ARG HA 1.0 . 4.74 976 918 A 61 GLY H A 61 GLY HA2 1.0 . 2.86 977 918 A 61 GLY H A 61 GLY HAy 1.0 . 2.86 978 919 A 61 GLY H A 60 GLY HAy 1.0 . 3.04 979 920 A 61 GLY H A 26 HIS HBy 1.0 . 4.76 980 921 A 2 THR H A 1 ASP HBx 1.0 . 3.71 981 922 A 2 THR H A 1 ASP HBy 1.0 . 4.52 982 923 A 6 GLY H A 7 TYR HD% 1.0 . 5.01 983 924 A 61 GLY H A 62 ALA HB% 1.0 . 5.50 984 925 A 47 GLN HE21 A 49 CYS HA 1.0 . 5.50 985 926 A 47 GLN HE21 A 35 ILE HG1x 1.0 . 5.50 986 926 A 47 GLN HE21 A 35 ILE HG1y 1.0 . 5.50 987 927 A 35 ILE HD1% A 47 GLN HE21 1.0 . 5.50 988 928 A 47 GLN HE22 A 35 ILE HG1x 1.0 . 5.50 989 928 A 47 GLN HE22 A 35 ILE HG1y 1.0 . 5.50 990 929 A 48 ASP H A 47 GLN HE22 1.0 . 5.50 991 930 A 35 ILE HD1% A 47 GLN HE22 1.0 . 5.50 992 931 A 51 GLY H A 33 THR HA 1.0 . 5.19 993 932 A 5 GLY H A 4 GLY HAy 1.0 . 3.25 994 933 A 51 GLY H A 49 CYS HBy 1.0 . 4.50 995 934 A 51 GLY H A 49 CYS HBx 1.0 . 4.19 996 935 A 3 CYS H A 5 GLY H 1.0 . 4.98 997 936 A 34 GLY H A 35 ILE HA 1.0 . 4.98 998 937 A 34 GLY H A 54 CYS HBx 1.0 . 4.86 999 938 A 8 GLY H A 11 GLN HBx 1.0 . 3.99 1000 939 A 31 ASP H A 33 THR H 1.0 . 4.08 1001 940 A 32 ARG H A 29 GLY HAx 1.0 . 5.50 1002 941 A 53 SER H A 33 THR H 1.0 . 5.08 1003 942 A 33 THR H A 31 ASP HA 1.0 . 4.36 1004 943 A 33 THR H A 32 ARG HGy 1.0 . 5.50 1005 944 A 23 GLY H A 25 ARG HDy 1.0 . 5.50 1006 945 A 23 GLY H A 38 CYS HBy 1.0 . 5.37 1007 946 A 29 GLY H A 33 THR H 1.0 . 5.40 1008 947 A 29 GLY H A 35 ILE HA 1.0 . 4.42 1009 948 A 29 GLY H A 28 CYS HBx 1.0 . 4.43 1010 949 A 29 GLY H A 36 VAL HGx% 1.0 . 4.57 1011 950 A 36 VAL H A 29 GLY H 1.0 . 5.35 1012 951 A 4 GLY H A 3 CYS HBx 1.0 . 4.85 1013 952 A 4 GLY H A 2 THR HA 1.0 . 4.80 1014 953 A 41 GLY H A 41 GLY HAx 1.0 . 2.89 1015 954 A 39 LYS H A 44 THR HB 1.0 . 4.63 1016 955 A 44 THR HB A 39 LYS HBx 1.0 . 3.54 1017 956 A 46 ILE HG2% A 44 THR HB 1.0 . 4.68 1018 957 A 50 GLY H A 33 THR HB 1.0 . 4.67 1019 958 A 34 GLY H A 33 THR HB 1.0 . 4.38 1020 959 A 33 THR HB A 31 ASP HBy 1.0 . 4.58 1021 960 A 14 THR HB A 13 ARG HA 1.0 . 4.83 1022 961 A 43 TRP HBy A 14 THR HA 1.0 . 3.47 1023 962 A 14 THR HA A 43 TRP HBx 1.0 . 3.50 1024 963 A 36 VAL HB A 14 THR HA 1.0 . 4.93 1025 964 A 36 VAL HGx% A 14 THR HA 1.0 . 3.75 1026 965 A 15 ASN HA A 14 THR HA 1.0 . 4.39 1027 966 A 14 THR HA A 13 ARG HA 1.0 . 4.51 1028 967 A 53 SER HBy A 52 ALA HB% 1.0 . 5.50 1029 968 A 16 SER HBx A 13 ARG HBx 1.0 . 5.04 1030 969 A 17 PRO HDy A 16 SER HBx 1.0 . 4.46 1031 970 A 9 VAL HB A 9 VAL HA 1.0 . 2.67 1032 971 A 9 VAL HA A 9 VAL HGx% 1.0 . 3.06 1033 972 A 9 VAL HGy% A 9 VAL HA 1.0 . 3.52 1034 973 A 16 SER HBy A 1 ASP HBx 1.0 . 4.14 1035 974 A 1 ASP HBx A 16 SER HBx 1.0 . 4.53 1036 975 A 15 ASN H A 44 THR HA 1.0 . 5.08 1037 976 A 49 CYS H A 33 THR HA 1.0 . 4.31 1038 977 A 49 CYS HBx A 33 THR HA 1.0 . 3.45 1039 978 A 33 THR HA A 52 ALA HB% 1.0 . 4.57 1040 979 A 33 THR HG2% A 33 THR HA 1.0 . 3.24 1041 980 A 45 GLU H A 44 THR HA 1.0 . 2.64 1042 981 A 44 THR HG2% A 44 THR HA 1.0 . 3.29 1043 982 A 59 GLN HE22 A 58 SER HBy 1.0 . 5.50 1044 983 A 57 VAL HA A 58 SER HBy 1.0 . 4.63 1045 984 A 36 VAL HB A 44 THR HA 1.0 . 4.40 1046 985 A 36 VAL HGx% A 44 THR HA 1.0 . 4.93 1047 986 A 45 GLU HBx A 44 THR HA 1.0 . 4.44 1048 987 A 9 VAL HGy% A 58 SER HBx 1.0 . 5.36 1049 988 A 9 VAL HB A 58 SER HBx 1.0 . 4.63 1050 989 A 9 VAL HGx% A 58 SER HBx 1.0 . 5.28 1051 990 A 10 ASP HA A 58 SER HA 1.0 . 4.05 1052 991 A 9 VAL HB A 58 SER HA 1.0 . 3.54 1053 992 A 9 VAL HGy% A 58 SER HA 1.0 . 3.60 1054 993 A 58 SER HA A 9 VAL HGx% 1.0 . 4.72 1055 994 A 10 ASP HBx A 58 SER HA 1.0 . 5.50 1056 995 A 2 THR HB A 2 THR HA 1.0 . 3.00 1057 996 A 12 ARG HDy A 2 THR HA 1.0 . 3.36 1058 997 A 2 THR HG2% A 2 THR HA 1.0 . 3.30 1059 998 A 12 ARG HBx A 2 THR HA 1.0 . 4.24 1060 999 A 46 ILE HA A 39 LYS HE2 1.0 . 5.14 1061 999 A 39 LYS HEy A 46 ILE HA 1.0 . 5.14 1062 1000 A 46 ILE HG2% A 46 ILE HA 1.0 . 3.03 1063 1001 A 46 ILE HB A 46 ILE HA 1.0 . 2.74 1064 1002 A 46 ILE HD1% A 46 ILE HA 1.0 . 4.19 1065 1003 A 11 GLN HE21 A 32 ARG HA 1.0 . 5.39 1066 1004 A 52 ALA HA A 32 ARG HA 1.0 . 5.37 1067 1005 A 32 ARG HA A 32 ARG HGx 1.0 . 3.53 1068 1006 A 46 ILE HG1x A 46 ILE HA 1.0 . 4.21 1069 1007 A 29 GLY H A 32 ARG HA 1.0 . 4.56 1070 1008 A 23 GLY H A 21 SER HA 1.0 . 3.88 1071 1009 A 21 SER HBy A 21 SER HA 1.0 . 2.63 1072 1010 A 21 SER HBx A 21 SER HA 1.0 . 2.75 1073 1011 A 20 ALA HB% A 21 SER HA 1.0 . 4.27 1074 1012 A 28 CYS HBy A 54 CYS HA 1.0 . 4.87 1075 1013 A 4 GLY H A 3 CYS HA 1.0 . 3.55 1076 1014 A 55 ARG H A 54 CYS HA 1.0 . 2.58 1077 1015 A 3 CYS HA A 30 CYS HBy 1.0 . 5.16 1078 1016 A 3 CYS HA A 13 ARG HBx 1.0 . 3.24 1079 1017 A 53 SER HA A 53 SER HBx 1.0 . 2.80 1080 1018 A 8 GLY H A 7 TYR HA 1.0 . 3.02 1081 1019 A 8 GLY HAx A 7 TYR HA 1.0 . 4.37 1082 1020 A 46 ILE H A 36 VAL HA 1.0 . 2.56 1083 1021 A 36 VAL HA A 45 GLU HGy 1.0 . 5.15 1084 1022 A 36 VAL HB A 36 VAL HA 1.0 . 2.99 1085 1023 A 36 VAL HGx% A 36 VAL HA 1.0 . 3.25 1086 1024 A 36 VAL HGy% A 36 VAL HA 1.0 . 4.04 1087 1025 A 43 TRP HE3 A 36 VAL HA 1.0 . 4.93 1088 1026 A 36 VAL HA A 43 TRP HBx 1.0 . 5.12 1089 1027 A 36 VAL HA A 44 THR HB 1.0 . 5.33 1090 1028 A 36 VAL HB A 43 TRP HA 1.0 . 4.24 1091 1029 A 43 TRP HE3 A 43 TRP HA 1.0 . 3.13 1092 1030 A 26 HIS H A 25 ARG HA 1.0 . 2.57 1093 1031 A 25 ARG HA A 25 ARG HDx 1.0 . 4.80 1094 1032 A 25 ARG HA A 25 ARG HGx 1.0 . 3.37 1095 1033 A 44 THR H A 36 VAL HA 1.0 . 4.36 1096 1034 A 47 GLN H A 36 VAL HA 1.0 . 4.55 1097 1035 A 36 VAL HA A 45 GLU HA 1.0 . 2.92 1098 1036 A 43 TRP HA A 38 CYS HA 1.0 . 3.20 1099 1037 A 39 LYS H A 43 TRP HA 1.0 . 3.87 1100 1038 A 38 CYS HBx A 43 TRP HA 1.0 . 4.73 1101 1039 A 26 HIS HBy A 25 ARG HA 1.0 . 4.48 1102 1040 A 43 TRP HE1 A 43 TRP HA 1.0 . 5.50 1103 1041 A 44 THR H A 43 TRP HA 1.0 . 2.72 1104 1042 A 3 CYS HBx A 7 TYR HA 1.0 . 4.68 1105 1043 A 46 ILE H A 45 GLU HA 1.0 . 2.76 1106 1044 A 45 GLU HGy A 45 GLU HA 1.0 . 3.42 1107 1045 A 56 GLY H A 55 ARG HA 1.0 . 2.71 1108 1046 A 55 ARG HDy A 55 ARG HA 1.0 . 3.68 1109 1047 A 55 ARG HA A 55 ARG HGx 1.0 . 3.75 1110 1048 A 25 ARG HGy A 22 ASN HA 1.0 . 4.21 1111 1049 A 55 ARG HA A 55 ARG HGy 1.0 . 2.97 1112 1050 A 17 PRO HDy A 16 SER HA 1.0 . 2.74 1113 1051 A 16 SER HA A 17 PRO HDx 1.0 . 2.84 1114 1052 A 17 PRO HGy A 16 SER HA 1.0 . 4.55 1115 1053 A 48 ASP HBx A 47 GLN HA 1.0 . 4.93 1116 1054 A 47 GLN HGy A 47 GLN HA 1.0 . 3.32 1117 1055 A 11 GLN HA A 30 CYS HA 1.0 . 4.44 1118 1056 A 48 ASP H A 47 GLN HA 1.0 . 2.58 1119 1057 A 47 GLN HBy A 47 GLN HA 1.0 . 2.97 1120 1058 A 11 GLN HE22 A 30 CYS HA 1.0 . 3.36 1121 1059 A 11 GLN HBx A 30 CYS HA 1.0 . 3.58 1122 1060 A 30 CYS HA A 11 GLN HGx 1.0 . 4.54 1123 1061 A 59 GLN HA A 57 VAL HGy% 1.0 . 4.51 1124 1062 A 44 THR H A 38 CYS HA 1.0 . 3.85 1125 1063 A 59 GLN HA A 59 GLN HBy 1.0 . 2.91 1126 1064 A 39 LYS H A 38 CYS HA 1.0 . 2.68 1127 1065 A 43 TRP HE3 A 38 CYS HA 1.0 . 4.21 1128 1066 A 39 LYS HA A 40 GLY HAy 1.0 . 3.95 1129 1066 A 40 GLY HA2 A 39 LYS HA 1.0 . 3.95 1130 1067 A 42 LYS H A 38 CYS HA 1.0 . 4.42 1131 1068 A 14 THR H A 13 ARG HA 1.0 . 2.69 1132 1069 A 13 ARG HA A 13 ARG HG2 1.0 . 3.12 1133 1069 A 13 ARG HGy A 13 ARG HA 1.0 . 3.12 1134 1070 A 15 ASN H A 15 ASN HA 1.0 . 2.69 1135 1071 A 15 ASN HA A 42 LYS HB2 1.0 . 3.13 1136 1071 A 15 ASN HA A 42 LYS HBy 1.0 . 3.13 1137 1072 A 15 ASN HA A 42 LYS HG2 1.0 . 4.64 1138 1072 A 15 ASN HA A 42 LYS HGy 1.0 . 4.64 1139 1073 A 40 GLY H A 39 LYS HA 1.0 . 2.80 1140 1074 A 39 LYS HA A 39 LYS HE2 1.0 . 4.59 1141 1074 A 39 LYS HEy A 39 LYS HA 1.0 . 4.59 1142 1075 A 39 LYS HA A 39 LYS HG2 1.0 . 3.42 1143 1075 A 39 LYS HGy A 39 LYS HA 1.0 . 3.42 1144 1076 A 42 LYS H A 39 LYS HA 1.0 . 4.71 1145 1077 A 20 ALA H A 19 GLN HA 1.0 . 2.66 1146 1078 A 19 GLN HA A 19 GLN HG2 1.0 . 3.28 1147 1078 A 19 GLN HGy A 19 GLN HA 1.0 . 3.28 1148 1079 A 41 GLY HAx A 42 LYS HA 1.0 . 4.56 1149 1080 A 27 PHE HD% A 11 GLN HA 1.0 . 5.31 1150 1081 A 64 CYS H A 63 ARG HA 1.0 . 2.63 1151 1082 A 63 ARG HBy A 63 ARG HA 1.0 . 3.01 1152 1083 A 63 ARG HA A 63 ARG HBx 1.0 . 2.97 1153 1084 A 35 ILE HD1% A 63 ARG HA 1.0 . 3.21 1154 1085 A 63 ARG HA A 63 ARG HDx 1.0 . 4.41 1155 1085 A 63 ARG HA A 63 ARG HDy 1.0 . 4.41 1156 1086 A 64 CYS HA A 54 CYS HA 1.0 . 2.88 1157 1087 A 64 CYS HA A 64 CYS HBy 1.0 . 3.02 1158 1088 A 36 VAL HGy% A 11 GLN HA 1.0 . 5.50 1159 1089 A 43 TRP H A 42 LYS HA 1.0 . 2.74 1160 1090 A 18 CYS H A 42 LYS HA 1.0 . 3.06 1161 1091 A 42 LYS HA A 17 PRO HBy 1.0 . 4.79 1162 1092 A 42 LYS HA A 42 LYS HG2 1.0 . 3.64 1163 1092 A 42 LYS HA A 42 LYS HGy 1.0 . 3.64 1164 1093 A 35 ILE HD1% A 64 CYS HA 1.0 . 4.72 1165 1094 A 23 GLY H A 20 ALA HA 1.0 . 4.16 1166 1095 A 28 CYS H A 11 GLN HA 1.0 . 3.54 1167 1096 A 27 PHE HA A 11 GLN HA 1.0 . 4.78 1168 1097 A 11 GLN HA A 11 GLN HGx 1.0 . 3.42 1169 1098 A 42 LYS HA A 42 LYS HB2 1.0 . 2.91 1170 1098 A 42 LYS HA A 42 LYS HBy 1.0 . 2.91 1171 1099 A 11 GLN HA A 28 CYS HBy 1.0 . 5.02 1172 1100 A 19 GLN HBy A 20 ALA HA 1.0 . 4.92 1173 1101 A 27 PHE H A 37 GLU HA 1.0 . 4.49 1174 1102 A 43 TRP HE3 A 37 GLU HA 1.0 . 3.86 1175 1103 A 46 ILE HD1% A 37 GLU HA 1.0 . 4.56 1176 1104 A 26 HIS HD2 A 37 GLU HA 1.0 . 3.88 1177 1105 A 37 GLU HGy A 37 GLU HA 1.0 . 3.56 1178 1106 A 37 GLU HGx A 37 GLU HA 1.0 . 3.79 1179 1107 A 2 THR H A 1 ASP HA 1.0 . 3.11 1180 1108 A 56 GLY H A 10 ASP HA 1.0 . 5.19 1181 1109 A 36 VAL HGy% A 28 CYS HA 1.0 . 4.62 1182 1110 A 49 CYS H A 48 ASP HA 1.0 . 2.74 1183 1111 A 35 ILE H A 48 ASP HA 1.0 . 4.31 1184 1112 A 48 ASP HA A 34 GLY HAx 1.0 . 3.68 1185 1113 A 10 ASP HA A 27 PHE HE% 1.0 . 4.32 1186 1114 A 10 ASP HA A 27 PHE HD% 1.0 . 3.30 1187 1115 A 28 CYS HA A 62 ALA HB% 1.0 . 4.39 1188 1116 A 36 VAL H A 28 CYS HA 1.0 . 3.83 1189 1117 A 29 GLY H A 28 CYS HA 1.0 . 2.79 1190 1118 A 35 ILE HA A 28 CYS HA 1.0 . 3.10 1191 1119 A 28 CYS HA A 29 GLY HAx 1.0 . 4.55 1192 1120 A 28 CYS HA A 35 ILE HG1y 1.0 . 4.89 1193 1121 A 35 ILE HD1% A 28 CYS HA 1.0 . 4.32 1194 1122 A 57 VAL H A 62 ALA HA 1.0 . 4.46 1195 1123 A 2 THR HA A 12 ARG HA 1.0 . 3.08 1196 1124 A 12 ARG HDy A 12 ARG HA 1.0 . 3.16 1197 1125 A 28 CYS HA A 32 ARG HA 1.0 . 4.81 1198 1126 A 19 GLN H A 18 CYS HA 1.0 . 2.84 1199 1127 A 24 ASP HA A 25 ARG HGy 1.0 . 4.73 1200 1128 A 9 VAL HGy% A 10 ASP HA 1.0 . 4.40 1201 1129 A 63 ARG H A 62 ALA HA 1.0 . 2.56 1202 1130 A 62 ALA HA A 56 GLY HAx 1.0 . 3.15 1203 1131 A 3 CYS HBx A 12 ARG HA 1.0 . 5.50 1204 1132 A 2 THR HG2% A 12 ARG HA 1.0 . 4.49 1205 1133 A 27 PHE HD% A 12 ARG HA 1.0 . 4.96 1206 1134 A 26 HIS HA A 37 GLU HBy 1.0 . 4.36 1207 1135 A 26 HIS HA A 25 ARG HA 1.0 . 4.95 1208 1136 A 26 HIS HA A 46 ILE HD1% 1.0 . 4.69 1209 1137 A 26 HIS HA A 27 PHE H 1.0 . 2.64 1210 1138 A 26 HIS HA A 26 HIS HD2 1.0 . 3.25 1211 1139 A 26 HIS HA A 62 ALA HB% 1.0 . 4.87 1212 1140 A 26 HIS HA A 35 ILE HG2% 1.0 . 4.17 1213 1141 A 26 HIS HA A 37 GLU HA 1.0 . 4.03 1214 1142 A 26 HIS HA A 37 GLU HGy 1.0 . 5.23 1215 1143 A 52 ALA HA A 31 ASP HBy 1.0 . 5.21 1216 1144 A 33 THR H A 52 ALA HA 1.0 . 4.69 1217 1145 A 53 SER H A 52 ALA HA 1.0 . 3.02 1218 1146 A 33 THR HA A 52 ALA HA 1.0 . 3.03 1219 1147 A 52 ALA HA A 32 ARG HBx 1.0 . 4.01 1220 1148 A 16 SER HBy A 17 PRO HDx 1.0 . 3.53 1221 1149 A 16 SER HBy A 17 PRO HDy 1.0 . 3.62 1222 1150 A 1 ASP HBx A 17 PRO HDx 1.0 . 5.50 1223 1151 A 24 ASP HA A 23 GLY HAx 1.0 . 5.45 1224 1152 A 7 TYR H A 5 GLY HAy 1.0 . 4.41 1225 1153 A 22 ASN HBx A 23 GLY HAx 1.0 . 4.77 1226 1154 A 22 ASN HBy A 23 GLY HAx 1.0 . 5.01 1227 1155 A 23 GLY HAy A 24 ASP HBx 1.0 . 5.22 1228 1156 A 25 ARG H A 23 GLY HAx 1.0 . 4.81 1229 1157 A 49 CYS H A 50 GLY HAy 1.0 . 5.50 1230 1158 A 50 GLY HAy A 51 GLY HAx 1.0 . 4.89 1231 1159 A 49 CYS HBx A 50 GLY HAx 1.0 . 5.50 1232 1160 A 26 HIS HBy A 61 GLY HA2 1.0 . 4.74 1233 1160 A 26 HIS HBy A 61 GLY HAy 1.0 . 4.74 1234 1161 A 18 CYS HBy A 38 CYS HA 1.0 . 5.50 1235 1162 A 18 CYS HBy A 43 TRP HD1 1.0 . 5.13 1236 1163 A 18 CYS HBx A 38 CYS HBx 1.0 . 4.84 1237 1164 A 43 TRP H A 18 CYS HBy 1.0 . 5.50 1238 1165 A 18 CYS HBy A 42 LYS HA 1.0 . 5.50 1239 1166 A 18 CYS HBx A 42 LYS HA 1.0 . 5.50 1240 1167 A 18 CYS HBy A 19 GLN HA 1.0 . 5.50 1241 1168 A 10 ASP H A 8 GLY HAy 1.0 . 4.88 1242 1169 A 49 CYS HBx A 34 GLY HAy 1.0 . 5.49 1243 1170 A 34 GLY HAy A 45 GLU HGy 1.0 . 4.88 1244 1171 A 33 THR H A 34 GLY HAy 1.0 . 4.96 1245 1172 A 49 CYS H A 34 GLY HAy 1.0 . 3.98 1246 1173 A 8 GLY HAy A 9 VAL HGx% 1.0 . 5.19 1247 1174 A 9 VAL HGy% A 8 GLY HAy 1.0 . 5.44 1248 1175 A 8 GLY HAy A 7 TYR HBy 1.0 . 5.22 1249 1176 A 36 VAL HGx% A 34 GLY HAx 1.0 . 5.50 1250 1177 A 36 VAL HGy% A 29 GLY HAy 1.0 . 5.14 1251 1178 A 36 VAL HGx% A 29 GLY HAy 1.0 . 4.82 1252 1179 A 63 ARG H A 56 GLY HAy 1.0 . 4.86 1253 1180 A 34 GLY HAx A 45 GLU HGy 1.0 . 4.58 1254 1181 A 57 VAL HGy% A 56 GLY HAx 1.0 . 5.50 1255 1182 A 26 HIS HBy A 60 GLY HAx 1.0 . 5.50 1256 1183 A 56 GLY HAy A 63 ARG HDx 1.0 . 5.50 1257 1183 A 56 GLY HAy A 63 ARG HDy 1.0 . 5.50 1258 1184 A 12 ARG H A 29 GLY HAx 1.0 . 5.50 1259 1185 A 57 VAL HGy% A 60 GLY HAy 1.0 . 5.50 1260 1186 A 60 GLY HAy A 59 GLN HBx 1.0 . 5.19 1261 1187 A 25 ARG HBx A 60 GLY HAy 1.0 . 4.33 1262 1188 A 25 ARG HBx A 60 GLY HAx 1.0 . 5.01 1263 1189 A 27 PHE HA A 60 GLY HAx 1.0 . 4.67 1264 1190 A 27 PHE HA A 60 GLY HAy 1.0 . 5.50 1265 1191 A 27 PHE HD% A 60 GLY HAy 1.0 . 5.50 1266 1192 A 25 ARG HBy A 60 GLY HAy 1.0 . 4.62 1267 1193 A 27 PHE HD% A 60 GLY HAx 1.0 . 5.50 1268 1194 A 62 ALA H A 56 GLY HAy 1.0 . 5.50 1269 1195 A 34 GLY H A 29 GLY HAx 1.0 . 5.18 1270 1196 A 25 ARG HDy A 22 ASN HA 1.0 . 4.40 1271 1197 A 25 ARG HBx A 25 ARG HDy 1.0 . 4.04 1272 1198 A 25 ARG HDx A 22 ASN HA 1.0 . 4.44 1273 1199 A 53 SER H A 51 GLY HAx 1.0 . 5.50 1274 1200 A 52 ALA HB% A 51 GLY HAy 1.0 . 5.13 1275 1201 A 35 ILE HD1% A 63 ARG HDx 1.0 . 5.50 1276 1201 A 35 ILE HD1% A 63 ARG HDy 1.0 . 5.50 1277 1202 A 63 ARG H A 63 ARG HDx 1.0 . 4.93 1278 1202 A 63 ARG H A 63 ARG HDy 1.0 . 4.93 1279 1203 A 53 SER H A 51 GLY HAy 1.0 . 5.38 1280 1204 A 55 ARG HDy A 55 ARG HB2 1.0 . 3.93 1281 1204 A 55 ARG HDy A 55 ARG HBy 1.0 . 3.93 1282 1205 A 55 ARG H A 63 ARG HDx 1.0 . 5.19 1283 1205 A 55 ARG H A 63 ARG HDy 1.0 . 5.19 1284 1206 A 55 ARG H A 55 ARG HDy 1.0 . 5.19 1285 1207 A 13 ARG HDy A 13 ARG HA 1.0 . 4.20 1286 1208 A 56 GLY H A 55 ARG HDx 1.0 . 5.50 1287 1209 A 55 ARG HDx A 55 ARG HA 1.0 . 4.28 1288 1210 A 3 CYS HBy A 13 ARG HDx 1.0 . 5.50 1289 1211 A 4 GLY H A 13 ARG HDy 1.0 . 3.92 1290 1212 A 36 VAL HGy% A 27 PHE HBy 1.0 . 4.44 1291 1213 A 12 ARG H A 27 PHE HBx 1.0 . 5.50 1292 1214 A 26 HIS HA A 27 PHE HBx 1.0 . 4.84 1293 1215 A 3 CYS HA A 13 ARG HDx 1.0 . 5.26 1294 1216 A 14 THR H A 13 ARG HDx 1.0 . 5.50 1295 1217 A 13 ARG HDx A 13 ARG HA 1.0 . 4.70 1296 1218 A 62 ALA HB% A 27 PHE HBy 1.0 . 5.50 1297 1219 A 11 GLN HA A 27 PHE HBy 1.0 . 4.34 1298 1220 A 54 CYS H A 32 ARG HDy 1.0 . 5.29 1299 1221 A 11 GLN HE21 A 32 ARG HDy 1.0 . 5.50 1300 1222 A 32 ARG HBy A 32 ARG HDy 1.0 . 3.98 1301 1223 A 42 LYS HE2 A 15 ASN HBx 1.0 . 3.80 1302 1224 A 42 LYS HE2 A 42 LYS HGy 1.0 . 4.12 1303 1224 A 42 LYS HE2 A 42 LYS HG2 1.0 . 4.12 1304 1225 A 34 GLY HAx A 48 ASP HBx 1.0 . 5.29 1305 1226 A 46 ILE HD1% A 39 LYS HE2 1.0 . 5.50 1306 1226 A 46 ILE HD1% A 39 LYS HEy 1.0 . 5.50 1307 1227 A 48 ASP HBy A 47 GLN HA 1.0 . 5.23 1308 1228 A 12 ARG HDx A 12 ARG HBx 1.0 . 4.13 1309 1229 A 12 ARG HDx A 43 TRP HZ2 1.0 . 5.02 1310 1230 A 2 THR HG2% A 3 CYS HBx 1.0 . 5.50 1311 1231 A 37 GLU HBx A 39 LYS HE2 1.0 . 3.91 1312 1231 A 37 GLU HBx A 39 LYS HEy 1.0 . 3.91 1313 1232 A 39 LYS HE2 A 39 LYS HG2 1.0 . 4.08 1314 1232 A 39 LYS HEy A 39 LYS HG2 1.0 . 4.08 1315 1232 A 39 LYS HGy A 39 LYS HE2 1.0 . 4.08 1316 1232 A 39 LYS HGy A 39 LYS HEy 1.0 . 4.08 1317 1233 A 12 ARG HDy A 2 THR HB 1.0 . 5.13 1318 1234 A 35 ILE HA A 28 CYS HBx 1.0 . 5.37 1319 1235 A 32 ARG HA A 28 CYS HBy 1.0 . 3.77 1320 1236 A 28 CYS HBx A 32 ARG HA 1.0 . 4.67 1321 1237 A 28 CYS HBx A 32 ARG HGx 1.0 . 5.50 1322 1238 A 2 THR HG2% A 7 TYR HBy 1.0 . 5.50 1323 1239 A 10 ASP HBx A 56 GLY HAx 1.0 . 4.52 1324 1240 A 27 PHE HD% A 10 ASP HBx 1.0 . 5.33 1325 1241 A 2 THR H A 7 TYR HBy 1.0 . 4.95 1326 1242 A 2 THR HB A 7 TYR HBy 1.0 . 3.37 1327 1243 A 47 GLN H A 46 ILE HB 1.0 . 4.78 1328 1244 A 46 ILE HD1% A 46 ILE HB 1.0 . 3.54 1329 1245 A 10 ASP HBy A 56 GLY HAx 1.0 . 4.09 1330 1246 A 3 CYS HBx A 7 TYR HBy 1.0 . 4.92 1331 1247 A 8 GLY H A 7 TYR HBx 1.0 . 4.15 1332 1248 A 3 CYS H A 7 TYR HBx 1.0 . 5.24 1333 1249 A 28 CYS H A 10 ASP HBy 1.0 . 4.75 1334 1250 A 9 VAL HGy% A 10 ASP HBy 1.0 . 5.16 1335 1251 A 7 TYR HBx A 3 CYS HBy 1.0 . 4.50 1336 1252 A 35 ILE HB A 47 GLN HBy 1.0 . 3.96 1337 1253 A 34 GLY HAy A 35 ILE HB 1.0 . 5.08 1338 1254 A 1 ASP HBy A 13 ARG HBx 1.0 . 4.83 1339 1255 A 38 CYS HBy A 43 TRP HA 1.0 . 5.50 1340 1256 A 54 CYS HBy A 53 SER HA 1.0 . 5.50 1341 1257 A 64 CYS HA A 54 CYS HBy 1.0 . 4.94 1342 1258 A 54 CYS HBy A 32 ARG HA 1.0 . 3.95 1343 1259 A 54 CYS HBy A 28 CYS HBy 1.0 . 4.50 1344 1260 A 19 GLN H A 38 CYS HBy 1.0 . 5.50 1345 1261 A 38 CYS HBx A 22 ASN HBy 1.0 . 4.54 1346 1262 A 38 CYS HBx A 18 CYS HBy 1.0 . 4.27 1347 1263 A 54 CYS HBy A 28 CYS HA 1.0 . 5.50 1348 1264 A 38 CYS HBy A 18 CYS HBy 1.0 . 5.21 1349 1265 A 64 CYS HBy A 54 CYS HA 1.0 . 4.79 1350 1266 A 35 ILE HD1% A 64 CYS HBy 1.0 . 5.50 1351 1267 A 49 CYS HA A 64 CYS HBy 1.0 . 4.28 1352 1268 A 41 GLY H A 42 LYS HB2 1.0 . 5.16 1353 1268 A 41 GLY H A 42 LYS HBy 1.0 . 5.16 1354 1269 A 15 ASN HBy A 42 LYS HE2 1.0 . 4.81 1355 1270 A 49 CYS HA A 64 CYS HBx 1.0 . 5.06 1356 1271 A 8 GLY H A 11 GLN HGy 1.0 . 4.73 1357 1272 A 42 LYS HE2 A 42 LYS HBy 1.0 . 5.50 1358 1272 A 42 LYS HE2 A 42 LYS HB2 1.0 . 5.50 1359 1273 A 15 ASN HD21 A 15 ASN HBx 1.0 . 3.71 1360 1274 A 14 THR HG2% A 15 ASN HBx 1.0 . 4.93 1361 1275 A 11 GLN HA A 11 GLN HGy 1.0 . 4.16 1362 1276 A 28 CYS HBy A 11 GLN HGx 1.0 . 4.38 1363 1277 A 42 LYS HDy A 42 LYS HB2 1.0 . 3.51 1364 1277 A 42 LYS HDy A 42 LYS HBy 1.0 . 3.51 1365 1278 A 42 LYS HBy A 42 LYS HG2 1.0 . 2.67 1366 1278 A 42 LYS HGy A 42 LYS HB2 1.0 . 2.67 1367 1278 A 42 LYS HBy A 42 LYS HGy 1.0 . 2.67 1368 1278 A 42 LYS HB2 A 42 LYS HG2 1.0 . 2.67 1369 1279 A 41 GLY HAx A 42 LYS HB2 1.0 . 5.43 1370 1279 A 41 GLY HAx A 42 LYS HBy 1.0 . 5.43 1371 1280 A 37 GLU HGx A 46 ILE HD1% 1.0 . 5.34 1372 1281 A 37 GLU HBx A 46 ILE HG1y 1.0 . 5.37 1373 1282 A 3 CYS HBx A 30 CYS HBx 1.0 . 5.02 1374 1283 A 31 ASP H A 30 CYS HBx 1.0 . 4.71 1375 1284 A 37 GLU HBy A 39 LYS HG2 1.0 . 5.21 1376 1284 A 37 GLU HBy A 39 LYS HGy 1.0 . 5.21 1377 1285 A 37 GLU HBx A 46 ILE HG1x 1.0 . 5.37 1378 1286 A 36 VAL HB A 45 GLU HA 1.0 . 4.79 1379 1287 A 36 VAL HB A 44 THR HB 1.0 . 4.93 1380 1288 A 36 VAL HB A 43 TRP HBx 1.0 . 3.47 1381 1289 A 57 VAL HB A 58 SER HBy 1.0 . 4.67 1382 1290 A 57 VAL HB A 58 SER HBx 1.0 . 4.82 1383 1291 A 33 THR HA A 49 CYS HBy 1.0 . 4.43 1384 1292 A 54 CYS H A 49 CYS HBy 1.0 . 5.50 1385 1293 A 53 SER H A 49 CYS HBy 1.0 . 4.58 1386 1294 A 33 THR HG2% A 49 CYS HBy 1.0 . 5.50 1387 1295 A 49 CYS HBy A 50 GLY HAx 1.0 . 5.50 1388 1296 A 44 THR HG2% A 39 LYS HBy 1.0 . 5.50 1389 1297 A 44 THR H A 39 LYS HBy 1.0 . 5.50 1390 1298 A 18 CYS HA A 19 GLN HG2 1.0 . 4.89 1391 1298 A 18 CYS HA A 19 GLN HGy 1.0 . 4.89 1392 1299 A 34 GLY HAx A 45 GLU HGx 1.0 . 4.77 1393 1300 A 34 GLY HAy A 45 GLU HGx 1.0 . 5.24 1394 1301 A 59 GLN HA A 59 GLN HG2 1.0 . 3.53 1395 1301 A 59 GLN HA A 59 GLN HGy 1.0 . 3.53 1396 1302 A 47 GLN H A 45 GLU HGx 1.0 . 3.69 1397 1303 A 45 GLU HA A 45 GLU HGx 1.0 . 3.87 1398 1304 A 11 GLN HBy A 30 CYS HA 1.0 . 5.03 1399 1305 A 64 CYS HBx A 63 ARG HBx 1.0 . 5.15 1400 1306 A 27 PHE HD% A 11 GLN HBy 1.0 . 5.50 1401 1307 A 11 GLN HE21 A 55 ARG HB2 1.0 . 5.20 1402 1307 A 11 GLN HE21 A 55 ARG HBy 1.0 . 5.20 1403 1308 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.71 1404 1308 A 63 ARG HBy A 63 ARG HDy 1.0 . 3.71 1405 1309 A 47 GLN HGx A 47 GLN HA 1.0 . 4.09 1406 1310 A 35 ILE HD1% A 47 GLN HGx 1.0 . 5.48 1407 1311 A 46 ILE HD1% A 47 GLN HGx 1.0 . 5.50 1408 1312 A 42 LYS HA A 17 PRO HBx 1.0 . 5.41 1409 1313 A 12 ARG HBy A 36 VAL HGx% 1.0 . 5.50 1410 1314 A 27 PHE HD% A 25 ARG HBx 1.0 . 5.50 1411 1315 A 25 ARG H A 25 ARG HBy 1.0 . 3.97 1412 1316 A 46 ILE HD1% A 47 GLN HBy 1.0 . 4.84 1413 1317 A 35 ILE HD1% A 47 GLN HBx 1.0 . 4.58 1414 1318 A 26 HIS HBx A 61 GLY HA2 1.0 . 5.50 1415 1318 A 61 GLY HAy A 26 HIS HBx 1.0 . 5.50 1416 1319 A 1 ASP HBx A 13 ARG HBx 1.0 . 4.84 1417 1320 A 16 SER HBy A 13 ARG HBx 1.0 . 5.50 1418 1321 A 32 ARG HA A 32 ARG HGy 1.0 . 3.97 1419 1322 A 13 ARG HBy A 3 CYS HA 1.0 . 5.39 1420 1323 A 14 THR H A 13 ARG HBx 1.0 . 5.07 1421 1324 A 11 GLN HE21 A 32 ARG HGy 1.0 . 4.62 1422 1325 A 4 GLY H A 13 ARG HBy 1.0 . 5.50 1423 1326 A 13 ARG HBy A 1 ASP HBx 1.0 . 4.94 1424 1327 A 43 TRP HBy A 42 LYS HB2 1.0 . 5.50 1425 1327 A 43 TRP HBy A 42 LYS HBy 1.0 . 5.50 1426 1328 A 42 LYS H A 42 LYS HDy 1.0 . 5.50 1427 1329 A 42 LYS HDx A 15 ASN HBx 1.0 . 5.50 1428 1330 A 44 THR HB A 39 LYS HDx 1.0 . 5.23 1429 1331 A 15 ASN HA A 42 LYS HDx 1.0 . 4.57 1430 1332 A 43 TRP HBy A 42 LYS HA 1.0 . 5.50 1431 1333 A 43 TRP HBy A 36 VAL HB 1.0 . 4.49 1432 1334 A 15 ASN HA A 42 LYS HDy 1.0 . 4.52 1433 1335 A 14 THR HG2% A 43 TRP HBx 1.0 . 5.50 1434 1336 A 46 ILE HG2% A 39 LYS HDx 1.0 . 4.38 1435 1337 A 43 TRP HBy A 15 ASN HA 1.0 . 5.50 1436 1338 A 36 VAL HGx% A 45 GLU HBy 1.0 . 4.44 1437 1339 A 14 THR HG2% A 45 GLU HBy 1.0 . 4.72 1438 1340 A 17 PRO HGx A 16 SER HA 1.0 . 4.96 1439 1341 A 47 GLN H A 45 GLU HBx 1.0 . 5.25 1440 1342 A 46 ILE HG2% A 45 GLU HBx 1.0 . 5.50 1441 1343 A 25 ARG HA A 25 ARG HGy 1.0 . 4.19 1442 1344 A 63 ARG HA A 35 ILE HG1x 1.0 . 5.45 1443 1345 A 47 GLN H A 45 GLU HBy 1.0 . 4.60 1444 1346 A 22 ASN H A 25 ARG HGy 1.0 . 5.50 1445 1347 A 34 GLY HAy A 35 ILE HG1y 1.0 . 5.50 1446 1348 A 35 ILE H A 35 ILE HG1y 1.0 . 3.98 1447 1349 A 36 VAL H A 35 ILE HG1x 1.0 . 5.50 1448 1350 A 54 CYS HBy A 35 ILE HG1x 1.0 . 5.50 1449 1351 A 32 ARG HBy A 52 ALA HA 1.0 . 4.85 1450 1352 A 46 ILE HG1x A 45 GLU HA 1.0 . 4.77 1451 1353 A 3 CYS HA A 13 ARG HG2 1.0 . 5.05 1452 1353 A 13 ARG HGy A 3 CYS HA 1.0 . 5.05 1453 1354 A 46 ILE HG1y A 45 GLU HA 1.0 . 5.11 1454 1355 A 46 ILE HG1x A 47 GLN HA 1.0 . 5.50 1455 1356 A 54 CYS HBx A 32 ARG HBx 1.0 . 4.71 1456 1357 A 46 ILE HG1y A 47 GLN HA 1.0 . 5.50 1457 1358 A 36 VAL HA A 46 ILE HG1y 1.0 . 5.14 1458 1359 A 35 ILE H A 46 ILE HG1x 1.0 . 5.50 1459 1360 A 63 ARG H A 63 ARG HGy 1.0 . 4.73 1460 1361 A 64 CYS H A 63 ARG HGy 1.0 . 5.37 1461 1362 A 63 ARG H A 63 ARG HGx 1.0 . 4.54 1462 1363 A 27 PHE HA A 12 ARG HGx 1.0 . 5.50 1463 1364 A 43 TRP HZ2 A 12 ARG HGy 1.0 . 5.50 1464 1365 A 2 THR HG2% A 12 ARG HGx 1.0 . 5.50 1465 1366 A 2 THR HG2% A 12 ARG HGy 1.0 . 5.50 1466 1367 A 39 LYS HDx A 39 LYS HG2 1.0 . 3.00 1467 1367 A 39 LYS HGy A 39 LYS HDx 1.0 . 3.00 1468 1368 A 37 GLU HGx A 39 LYS HG2 1.0 . 4.45 1469 1368 A 37 GLU HGx A 39 LYS HGy 1.0 . 4.45 1470 1369 A 36 VAL HGy% A 14 THR HG2% 1.0 . 5.27 1471 1370 A 56 GLY HAy A 57 VAL HGx% 1.0 . 4.65 1472 1371 A 57 VAL HA A 57 VAL HGx% 1.0 . 3.31 1473 1372 A 56 GLY HAx A 57 VAL HGx% 1.0 . 4.75 1474 1373 A 2 THR HG2% A 3 CYS H 1.0 . 4.63 1475 1374 A 36 VAL HGx% A 45 GLU HBx 1.0 . 4.22 1476 1375 A 36 VAL HGx% A 45 GLU HA 1.0 . 3.40 1477 1376 A 2 THR HG2% A 12 ARG HDy 1.0 . 4.16 1478 1377 A 9 VAL HGx% A 58 SER HBy 1.0 . 4.85 1479 1378 A 8 GLY HAx A 9 VAL HGx% 1.0 . 5.50 1480 1379 A 27 PHE HA A 62 ALA HB% 1.0 . 3.46 1481 1380 A 62 ALA HB% A 56 GLY HAx 1.0 . 4.26 1482 1381 A 56 GLY H A 62 ALA HB% 1.0 . 4.85 1483 1382 A 26 HIS HBy A 62 ALA HB% 1.0 . 4.00 1484 1383 A 33 THR HG2% A 51 GLY HAy 1.0 . 4.60 1485 1384 A 35 ILE HD1% A 62 ALA HB% 1.0 . 3.55 1486 1385 A 34 GLY H A 33 THR HG2% 1.0 . 4.40 1487 1386 A 44 THR HG2% A 39 LYS HE2 1.0 . 5.18 1488 1386 A 44 THR HG2% A 39 LYS HEy 1.0 . 5.18 1489 1387 A 36 VAL HGy% A 43 TRP HBy 1.0 . 4.77 1490 1388 A 46 ILE HG2% A 46 ILE HG1x 1.0 . 3.44 1491 1389 A 36 VAL HGy% A 35 ILE HA 1.0 . 5.00 1492 1390 A 46 ILE HG2% A 39 LYS HE2 1.0 . 4.31 1493 1390 A 46 ILE HG2% A 39 LYS HEy 1.0 . 4.31 1494 1391 A 46 ILE HG2% A 37 GLU HA 1.0 . 5.31 1495 1392 A 46 ILE HG2% A 45 GLU HA 1.0 . 4.69 1496 1393 A 46 ILE HG2% A 37 GLU HGx 1.0 . 4.76 1497 1394 A 57 VAL HGy% A 60 GLY HAx 1.0 . 4.75 1498 1395 A 57 VAL HGy% A 61 GLY HA2 1.0 . 3.92 1499 1395 A 57 VAL HGy% A 61 GLY HAy 1.0 . 3.92 1500 1396 A 57 VAL HA A 57 VAL HGy% 1.0 . 3.89 1501 1397 A 9 VAL HGy% A 57 VAL HB 1.0 . 4.97 1502 1398 A 9 VAL HGy% A 57 VAL HA 1.0 . 4.59 1503 1399 A 9 VAL HGy% A 58 SER HBy 1.0 . 3.59 1504 1400 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.56 1505 1401 A 26 HIS HBy A 35 ILE HG2% 1.0 . 3.93 1506 1402 A 35 ILE HG2% A 35 ILE HG1x 1.0 . 3.72 1507 1403 A 35 ILE HG2% A 47 GLN HBy 1.0 . 4.68 1508 1404 A 23 GLY H A 20 ALA HB% 1.0 . 5.11 1509 1405 A 20 ALA HB% A 19 GLN HA 1.0 . 4.88 1510 1406 A 35 ILE HG2% A 62 ALA HB% 1.0 . 3.71 1511 1407 A 26 HIS HD2 A 35 ILE HG2% 1.0 . 4.95 1512 1408 A 52 ALA HB% A 32 ARG HDy 1.0 . 5.49 1513 1409 A 52 ALA HB% A 51 GLY HAx 1.0 . 5.50 1514 1410 A 52 ALA HB% A 31 ASP HBy 1.0 . 4.76 1515 1411 A 52 ALA HB% A 31 ASP HBx 1.0 . 5.21 1516 1412 A 52 ALA HB% A 32 ARG HBx 1.0 . 3.90 1517 1413 A 46 ILE HD1% A 26 HIS HBx 1.0 . 4.92 1518 1414 A 37 GLU HBy A 46 ILE HD1% 1.0 . 3.28 1519 1415 A 46 ILE HD1% A 35 ILE HG2% 1.0 . 3.68 1520 1416 A 36 VAL H A 46 ILE HD1% 1.0 . 5.50 1521 1417 A 27 PHE H A 46 ILE HD1% 1.0 . 4.41 1522 1418 A 35 ILE HD1% A 46 ILE HD1% 1.0 . 5.50 1523 1419 A 35 ILE HD1% A 35 ILE HA 1.0 . 4.24 1524 1420 A 35 ILE HD1% A 47 GLN HBy 1.0 . 4.19 1525 1421 A 35 ILE HD1% A 54 CYS HBy 1.0 . 5.30 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ASP C A 2 THR N A 2 THR CA A 2 THR C 1.0 -78.588 -8.288 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 CYS N 1.0 -31.709 5.443 PSI 3 3 A 3 CYS C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 62.110 163.486 PHI 4 4 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 GLY N 1.0 -77.760 102.482 PSI 5 5 A 4 GLY C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 73.673 155.791 PHI 6 6 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 GLY N 1.0 -81.797 123.989 PSI 7 7 A 5 GLY C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 73.650 97.734 PHI 8 8 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 TYR N 1.0 -9.820 22.862 PSI 9 9 A 6 GLY C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -101.139 -66.057 PHI 10 10 A 7 TYR N A 7 TYR CA A 7 TYR C A 8 GLY N 1.0 130.496 157.896 PSI 11 11 A 7 TYR C A 8 GLY N A 8 GLY CA A 8 GLY C 1.0 -97.050 -61.690 PHI 12 12 A 8 GLY N A 8 GLY CA A 8 GLY C A 9 VAL N 1.0 153.548 184.968 PSI 13 13 A 8 GLY C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -85.667 -61.031 PHI 14 14 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 ASP N 1.0 -29.721 -7.305 PSI 15 15 A 9 VAL C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -111.428 -91.350 PHI 16 16 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 GLN N 1.0 1.885 20.635 PSI 17 17 A 10 ASP C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -136.319 -107.707 PHI 18 18 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 ARG N 1.0 129.248 154.494 PSI 19 19 A 11 GLN C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -148.416 -93.682 PHI 20 20 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 ARG N 1.0 142.608 160.082 PSI 21 21 A 12 ARG C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -106.232 -61.672 PHI 22 22 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 THR N 1.0 123.326 152.136 PSI 23 23 A 13 ARG C A 14 THR N A 14 THR CA A 14 THR C 1.0 -66.741 -50.373 PHI 24 24 A 14 THR N A 14 THR CA A 14 THR C A 15 ASN N 1.0 125.645 145.145 PSI 25 25 A 14 THR C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 57.668 74.448 PHI 26 26 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 SER N 1.0 7.699 34.725 PSI 27 27 A 15 ASN C A 16 SER N A 16 SER CA A 16 SER C 1.0 -134.249 -109.887 PHI 28 28 A 16 SER N A 16 SER CA A 16 SER C A 17 PRO N 1.0 77.409 138.857 PSI 29 29 A 17 PRO N A 17 PRO CA A 17 PRO C A 18 CYS N 1.0 138.408 158.272 PSI 30 30 A 17 PRO C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -154.866 -103.710 PHI 31 31 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 GLN N 1.0 144.436 166.312 PSI 32 32 A 18 CYS C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -81.924 -61.048 PHI 33 33 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 ALA N 1.0 140.337 165.981 PSI 34 34 A 19 GLN C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -65.406 -53.514 PHI 35 35 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 SER N 1.0 -43.422 -29.142 PSI 36 36 A 20 ALA C A 21 SER N A 21 SER CA A 21 SER C 1.0 -71.352 -61.772 PHI 37 37 A 21 SER N A 21 SER CA A 21 SER C A 22 ASN N 1.0 -41.100 -22.010 PSI 38 38 A 21 SER C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -80.183 -59.951 PHI 39 39 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 GLY N 1.0 -48.256 -20.696 PSI 40 40 A 22 ASN C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 -85.026 -63.584 PHI 41 41 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 -31.071 -6.745 PSI 42 42 A 23 GLY C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -124.082 -90.292 PHI 43 43 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 ARG N 1.0 -11.346 47.336 PSI 44 44 A 25 ARG C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -136.571 -113.941 PHI 45 45 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 PHE N 1.0 114.648 160.794 PSI 46 46 A 26 HIS C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -140.313 -114.355 PHI 47 47 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 CYS N 1.0 134.047 157.461 PSI 48 48 A 27 PHE C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -129.946 -73.484 PHI 49 49 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 GLY N 1.0 119.201 156.695 PSI 50 50 A 29 GLY C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -78.251 -53.067 PHI 51 51 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 ASP N 1.0 -34.687 -10.511 PSI 52 52 A 30 CYS C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -107.332 -81.240 PHI 53 53 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ARG N 1.0 -7.717 12.023 PSI 54 54 A 31 ASP C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 53.837 66.401 PHI 55 55 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 THR N 1.0 16.086 41.638 PSI 56 56 A 32 ARG C A 33 THR N A 33 THR CA A 33 THR C 1.0 -114.453 -90.079 PHI 57 57 A 33 THR N A 33 THR CA A 33 THR C A 34 GLY N 1.0 -29.461 -1.099 PSI 58 58 A 34 GLY C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -136.214 -109.506 PHI 59 59 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 VAL N 1.0 131.643 155.347 PSI 60 60 A 35 ILE C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -133.260 -121.436 PHI 61 61 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 GLU N 1.0 144.117 161.323 PSI 62 62 A 36 VAL C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -140.002 -121.952 PHI 63 63 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 CYS N 1.0 128.939 151.915 PSI 64 64 A 37 GLU C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -87.941 -69.207 PHI 65 65 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 LYS N 1.0 102.304 130.456 PSI 66 66 A 38 CYS C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -147.294 -111.562 PHI 67 67 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 GLY N 1.0 98.560 144.128 PSI 68 68 A 39 LYS C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 55.225 70.937 PHI 69 69 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 GLY N 1.0 21.825 41.245 PSI 70 70 A 40 GLY C A 41 GLY N A 41 GLY CA A 41 GLY C 1.0 73.310 88.312 PHI 71 71 A 41 GLY N A 41 GLY CA A 41 GLY C A 42 LYS N 1.0 -1.710 14.416 PSI 72 72 A 41 GLY C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -134.998 -120.998 PHI 73 73 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 TRP N 1.0 136.675 153.659 PSI 74 74 A 42 LYS C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -91.155 -65.203 PHI 75 75 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 117.530 135.204 PSI 76 76 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -133.572 -105.894 PHI 77 77 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 125.528 139.536 PSI 78 78 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -83.094 -63.392 PHI 79 79 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ILE N 1.0 108.650 140.106 PSI 80 80 A 46 ILE C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -153.087 -119.179 PHI 81 81 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 ASP N 1.0 121.619 151.709 PSI 82 82 A 51 GLY N A 51 GLY CA A 51 GLY C A 52 ALA N 1.0 151.439 187.433 PSI 83 83 A 53 SER C A 54 CYS N A 54 CYS CA A 54 CYS C 1.0 -72.757 -59.085 PHI 84 84 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 ARG N 1.0 130.890 150.472 PSI 85 85 A 54 CYS C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -128.875 -75.595 PHI 86 86 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 GLY N 1.0 129.363 151.411 PSI 87 87 A 55 ARG C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -132.278 -80.352 PHI 88 88 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 VAL N 1.0 141.916 193.864 PSI 89 89 A 56 GLY C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -147.626 -113.914 PHI 90 90 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 SER N 1.0 151.633 182.745 PSI 91 91 A 57 VAL C A 58 SER N A 58 SER CA A 58 SER C 1.0 -69.411 -58.627 PHI 92 92 A 58 SER N A 58 SER CA A 58 SER C A 59 GLN N 1.0 -34.151 -13.415 PSI 93 93 A 58 SER C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -101.704 -80.386 PHI 94 94 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLY N 1.0 -12.340 15.056 PSI 95 95 A 62 ALA C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -135.167 -108.581 PHI 96 96 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 CYS N 1.0 144.614 162.082 PSI stop_ save_