data_nef_c34282_6grv 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 6GRV 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 5 CYS SG 2 4 CD CD 1 7 CYS SG 2 1 CD CD 1 10 CYS SG 2 3 CD CD 1 10 CYS SG 2 4 CD CD 1 10 CYS SG 2 2 CD CD 1 12 CYS SG 2 3 CD CD 1 28 CYS SG 2 3 CD CD 1 28 CYS SG 2 4 CD CD 1 32 CYS SG 2 4 CD CD 1 32 CYS SG 2 1 CD CD 1 36 HIS NE2 2 1 CD CD 1 42 CYS SG 2 3 CD CD 1 42 CYS SG 2 2 CD CD 1 47 CYS SG 2 2 CD CD 1 49 CYS SG 2 2 CD CD 1 49 CYS SG 2 1 CD CD 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 ASN start . . 2 A 2 GLU middle . . 3 A 3 LEU middle . . 4 A 4 ARG middle . . 5 A 5 CYS middle -HG . 6 A 6 GLY middle . false 7 A 7 CYS middle -HG . 8 A 8 PRO middle . false 9 A 9 ASP middle . . 10 A 10 CYS middle -HG . 11 A 11 HIS middle . . 12 A 12 CYS middle -HG . 13 A 13 LYS middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 PRO middle . false 17 A 17 GLU middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 PHE middle . . 21 A 21 ASN middle . . 22 A 22 HIS middle . . 23 A 23 ASP middle . . 24 A 24 GLY middle . false 25 A 25 GLU middle . . 26 A 26 ALA middle . . 27 A 27 TYR middle . . 28 A 28 CYS middle -HG . 29 A 29 SER middle . . 30 A 30 GLN middle . . 31 A 31 ALA middle . . 32 A 32 CYS middle -HG . 33 A 33 ALA middle . . 34 A 34 GLU middle . . 35 A 35 GLN middle . . 36 A 36 HIS middle -HE2 . 37 A 37 PRO middle . false 38 A 38 ASN middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 PRO middle . false 42 A 42 CYS middle -HG . 43 A 43 PRO middle . false 44 A 44 ALA middle . . 45 A 45 PRO middle . false 46 A 46 ASP middle . . 47 A 47 CYS middle -HG . 48 A 48 HIS middle . . 49 A 49 CYS middle -HG . 50 A 50 GLU middle . . 51 A 51 ARG middle . . 52 A 52 SER middle . . 53 A 53 GLY middle . false 54 A 54 LYS middle . . 55 A 55 VAL middle . . 56 A 56 GLY middle . false 57 A 57 GLY middle . false 58 A 58 ARG middle . . 59 A 59 ASP middle . . 60 A 60 ILE middle . . 61 A 61 THR middle . . 62 A 62 ASN middle . . 63 A 63 ASN middle . . 64 A 64 GLN middle . . 65 A 65 LEU middle . . 66 A 66 ASP middle . . 67 A 67 GLU middle . . 68 A 68 ALA middle . . 69 A 69 LEU middle . . 70 A 70 GLU middle . . 71 A 71 GLU middle . . 72 A 72 THR middle . . 73 A 73 PHE middle . . 74 A 74 PRO middle . false 75 A 75 ALA middle . . 76 A 76 SER middle . . 77 A 77 ASP middle . . 78 A 78 PRO middle . false 79 A 79 ILE middle . . 80 A 80 SER middle . . 81 A 81 PRO end . false 82 B 1 CD . . . 83 B 2 CD . . . 84 B 3 CD . . . 85 B 4 CD . . . 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 ASN HA H 1 4.302 0.020 A 1 ASN HBy H 1 2.872 0.020 A 1 ASN HBx H 1 2.849 0.020 A 1 ASN HD21 H 1 7.638 0.020 A 1 ASN HD22 H 1 6.927 0.020 A 1 ASN C C 13 171.464 0.3 A 1 ASN CA C 13 52.354 0.3 A 1 ASN CB C 13 38.900 0.3 A 1 ASN ND2 N 15 112.708 0.3 A 2 GLU H H 1 8.459 0.020 A 2 GLU HA H 1 4.363 0.020 A 2 GLU HBx H 1 1.889 0.020 A 2 GLU HBy H 1 1.979 0.020 A 2 GLU HGx H 1 2.099 0.020 A 2 GLU HGy H 1 2.191 0.020 A 2 GLU C C 13 175.140 0.3 A 2 GLU CA C 13 56.192 0.3 A 2 GLU CB C 13 30.880 0.3 A 2 GLU CG C 13 36.288 0.3 A 2 GLU N N 15 121.335 0.3 A 3 LEU H H 1 8.579 0.020 A 3 LEU HA H 1 4.424 0.020 A 3 LEU HB2 H 1 1.534 0.020 A 3 LEU HB3 H 1 1.534 0.020 A 3 LEU HDx% H 1 0.769 0.020 A 3 LEU HDy% H 1 0.835 0.020 A 3 LEU HG H 1 1.483 0.020 A 3 LEU C C 13 175.880 0.3 A 3 LEU CA C 13 54.449 0.3 A 3 LEU CB C 13 42.980 0.3 A 3 LEU CD1 C 13 23.986 0.3 A 3 LEU CD2 C 13 24.539 0.3 A 3 LEU CG C 13 26.868 0.3 A 3 LEU N N 15 124.535 0.3 A 4 ARG H H 1 8.327 0.020 A 4 ARG HA H 1 4.489 0.020 A 4 ARG HB2 H 1 1.744 0.020 A 4 ARG HB3 H 1 1.744 0.020 A 4 ARG HD2 H 1 3.124 0.020 A 4 ARG HD3 H 1 3.124 0.020 A 4 ARG HG2 H 1 1.561 0.020 A 4 ARG HG3 H 1 1.561 0.020 A 4 ARG C C 13 174.812 0.3 A 4 ARG CA C 13 54.844 0.3 A 4 ARG CB C 13 31.394 0.3 A 4 ARG CD C 13 43.506 0.3 A 4 ARG CG C 13 27.044 0.3 A 4 ARG N N 15 123.065 0.3 A 5 CYS H H 1 8.317 0.020 A 5 CYS HA H 1 3.819 0.020 A 5 CYS HBx H 1 2.872 0.020 A 5 CYS HBy H 1 3.036 0.020 A 5 CYS C C 13 174.908 0.3 A 5 CYS CA C 13 60.838 0.3 A 5 CYS CB C 13 29.512 0.3 A 5 CYS N N 15 122.752 0.3 A 6 GLY H H 1 8.408 0.020 A 6 GLY HAx H 1 3.064 0.020 A 6 GLY HAy H 1 3.913 0.020 A 6 GLY C C 13 173.938 0.3 A 6 GLY CA C 13 46.586 0.3 A 6 GLY N N 15 115.031 0.3 A 7 CYS H H 1 8.583 0.020 A 7 CYS HA H 1 5.074 0.020 A 7 CYS HBx H 1 3.158 0.020 A 7 CYS HBy H 1 3.653 0.020 A 7 CYS CA C 13 57.223 0.3 A 7 CYS CB C 13 30.072 0.3 A 7 CYS N N 15 127.670 0.3 A 8 PRO HA H 1 4.377 0.020 A 8 PRO HBx H 1 2.002 0.020 A 8 PRO HBy H 1 2.387 0.020 A 8 PRO HDx H 1 3.785 0.020 A 8 PRO HDy H 1 3.947 0.020 A 8 PRO HG2 H 1 2.112 0.020 A 8 PRO HG3 H 1 2.112 0.020 A 8 PRO C C 13 177.125 0.3 A 8 PRO CA C 13 65.126 0.3 A 8 PRO CB C 13 32.325 0.3 A 8 PRO CD C 13 51.467 0.3 A 8 PRO CG C 13 27.419 0.3 A 9 ASP H H 1 7.463 0.020 A 9 ASP HA H 1 4.795 0.020 A 9 ASP HBx H 1 2.321 0.020 A 9 ASP HBy H 1 2.838 0.020 A 9 ASP C C 13 173.257 0.3 A 9 ASP CA C 13 54.201 0.3 A 9 ASP CB C 13 42.416 0.3 A 9 ASP N N 15 115.463 0.3 A 10 CYS H H 1 7.884 0.020 A 10 CYS HA H 1 4.069 0.020 A 10 CYS HBx H 1 3.299 0.020 A 10 CYS HBy H 1 3.492 0.020 A 10 CYS C C 13 174.101 0.3 A 10 CYS CA C 13 58.654 0.3 A 10 CYS CB C 13 32.348 0.3 A 10 CYS N N 15 122.128 0.3 A 11 HIS H H 1 8.360 0.020 A 11 HIS HA H 1 4.920 0.020 A 11 HIS HBx H 1 3.186 0.020 A 11 HIS HBy H 1 3.350 0.020 A 11 HIS HD2 H 1 7.145 0.020 A 11 HIS HE1 H 1 8.111 0.020 A 11 HIS C C 13 174.254 0.3 A 11 HIS CA C 13 55.415 0.3 A 11 HIS CB C 13 29.960 0.3 A 11 HIS CD2 C 13 119.082 0.3 A 11 HIS CE1 C 13 137.529 0.3 A 11 HIS N N 15 127.196 0.3 A 11 HIS ND1 N 15 201.320 0.3 A 11 HIS NE2 N 15 175.972 0.3 A 12 CYS H H 1 8.375 0.020 A 12 CYS HA H 1 4.028 0.020 A 12 CYS HBx H 1 2.757 0.020 A 12 CYS HBy H 1 3.232 0.020 A 12 CYS C C 13 175.217 0.3 A 12 CYS CA C 13 62.097 0.3 A 12 CYS CB C 13 31.316 0.3 A 12 CYS N N 15 122.455 0.3 A 13 LYS H H 1 8.595 0.020 A 13 LYS HA H 1 4.623 0.020 A 13 LYS HB2 H 1 1.718 0.020 A 13 LYS HB3 H 1 1.718 0.020 A 13 LYS HD2 H 1 1.598 0.020 A 13 LYS HD3 H 1 1.598 0.020 A 13 LYS HE2 H 1 2.958 0.020 A 13 LYS HE3 H 1 2.958 0.020 A 13 LYS HGx H 1 1.372 0.020 A 13 LYS HGy H 1 1.472 0.020 A 13 LYS C C 13 176.172 0.3 A 13 LYS CA C 13 55.261 0.3 A 13 LYS CB C 13 32.626 0.3 A 13 LYS CD C 13 28.859 0.3 A 13 LYS CE C 13 42.168 0.3 A 13 LYS CG C 13 25.008 0.3 A 13 LYS N N 15 122.280 0.3 A 14 VAL H H 1 8.333 0.020 A 14 VAL HA H 1 3.974 0.020 A 14 VAL HB H 1 1.683 0.020 A 14 VAL HGx% H 1 0.496 0.020 A 14 VAL HGy% H 1 0.709 0.020 A 14 VAL C C 13 174.891 0.3 A 14 VAL CA C 13 61.524 0.3 A 14 VAL CB C 13 32.782 0.3 A 14 VAL CG1 C 13 20.503 0.3 A 14 VAL CG2 C 13 21.906 0.3 A 14 VAL N N 15 121.806 0.3 A 15 ASP H H 1 8.816 0.020 A 15 ASP HA H 1 4.815 0.020 A 15 ASP HBx H 1 2.630 0.020 A 15 ASP HBy H 1 2.815 0.020 A 15 ASP CA C 13 51.273 0.3 A 15 ASP CB C 13 42.194 0.3 A 15 ASP N N 15 129.640 0.3 A 16 PRO HA H 1 4.096 0.020 A 16 PRO HB2 H 1 2.299 0.020 A 16 PRO HB3 H 1 2.299 0.020 A 16 PRO HDx H 1 3.882 0.020 A 16 PRO HDy H 1 3.943 0.020 A 16 PRO HGx H 1 1.972 0.020 A 16 PRO HGy H 1 2.036 0.020 A 16 PRO C C 13 177.875 0.3 A 16 PRO CA C 13 64.655 0.3 A 16 PRO CB C 13 32.151 0.3 A 16 PRO CD C 13 50.941 0.3 A 16 PRO CG C 13 27.355 0.3 A 17 GLU H H 1 8.562 0.020 A 17 GLU HA H 1 4.248 0.020 A 17 GLU HBx H 1 1.932 0.020 A 17 GLU HBy H 1 2.028 0.020 A 17 GLU HGx H 1 2.290 0.020 A 17 GLU HGy H 1 2.436 0.020 A 17 GLU C C 13 176.770 0.3 A 17 GLU CA C 13 56.956 0.3 A 17 GLU CB C 13 30.418 0.3 A 17 GLU CG C 13 35.724 0.3 A 17 GLU N N 15 115.552 0.3 A 18 ARG H H 1 8.098 0.020 A 18 ARG HA H 1 4.467 0.020 A 18 ARG HBx H 1 1.618 0.020 A 18 ARG HBy H 1 2.049 0.020 A 18 ARG HD2 H 1 3.276 0.020 A 18 ARG HD3 H 1 3.276 0.020 A 18 ARG HG2 H 1 1.538 0.020 A 18 ARG HG3 H 1 1.538 0.020 A 18 ARG C C 13 173.889 0.3 A 18 ARG CA C 13 54.770 0.3 A 18 ARG CB C 13 31.058 0.3 A 18 ARG CD C 13 43.440 0.3 A 18 ARG CG C 13 27.240 0.3 A 18 ARG N N 15 121.602 0.3 A 19 VAL H H 1 7.406 0.020 A 19 VAL HA H 1 3.937 0.020 A 19 VAL HB H 1 1.940 0.020 A 19 VAL HGx% H 1 0.809 0.020 A 19 VAL HGy% H 1 0.876 0.020 A 19 VAL C C 13 175.044 0.3 A 19 VAL CA C 13 62.251 0.3 A 19 VAL CB C 13 32.976 0.3 A 19 VAL CG1 C 13 20.800 0.3 A 19 VAL CG2 C 13 22.183 0.3 A 19 VAL N N 15 120.201 0.3 A 20 PHE H H 1 8.254 0.020 A 20 PHE HA H 1 4.566 0.020 A 20 PHE HBx H 1 2.694 0.020 A 20 PHE HBy H 1 2.801 0.020 A 20 PHE HD1 H 1 7.127 0.020 A 20 PHE HD2 H 1 7.127 0.020 A 20 PHE HE1 H 1 7.276 0.020 A 20 PHE HE2 H 1 7.276 0.020 A 20 PHE C C 13 174.858 0.3 A 20 PHE CA C 13 57.204 0.3 A 20 PHE CB C 13 39.548 0.3 A 20 PHE CD1 C 13 131.559 0.3 A 20 PHE CD2 C 13 131.559 0.3 A 20 PHE CE1 C 13 129.667 0.3 A 20 PHE CE2 C 13 129.667 0.3 A 20 PHE N N 15 126.531 0.3 A 21 ASN H H 1 8.625 0.020 A 21 ASN HA H 1 5.580 0.020 A 21 ASN HBx H 1 2.536 0.020 A 21 ASN HBy H 1 2.633 0.020 A 21 ASN HD21 H 1 7.271 0.020 A 21 ASN HD22 H 1 6.657 0.020 A 21 ASN C C 13 175.900 0.3 A 21 ASN CA C 13 52.936 0.3 A 21 ASN CB C 13 40.927 0.3 A 21 ASN N N 15 124.228 0.3 A 21 ASN ND2 N 15 111.953 0.3 A 22 HIS H H 1 9.021 0.020 A 22 HIS HA H 1 4.728 0.020 A 22 HIS HBx H 1 3.071 0.020 A 22 HIS HBy H 1 3.210 0.020 A 22 HIS HD2 H 1 7.144 0.020 A 22 HIS HE1 H 1 8.168 0.020 A 22 HIS C C 13 173.852 0.3 A 22 HIS CA C 13 57.016 0.3 A 22 HIS CB C 13 32.453 0.3 A 22 HIS CD2 C 13 119.822 0.3 A 22 HIS CE1 C 13 138.045 0.3 A 22 HIS N N 15 120.987 0.3 A 22 HIS ND1 N 15 203.573 0.3 A 22 HIS NE2 N 15 175.530 0.3 A 23 ASP H H 1 9.291 0.020 A 23 ASP HA H 1 4.197 0.020 A 23 ASP HBx H 1 2.218 0.020 A 23 ASP HBy H 1 2.916 0.020 A 23 ASP C C 13 175.071 0.3 A 23 ASP CA C 13 55.051 0.3 A 23 ASP CB C 13 39.589 0.3 A 23 ASP N N 15 128.306 0.3 A 24 GLY H H 1 8.495 0.020 A 24 GLY HAx H 1 3.615 0.020 A 24 GLY HAy H 1 4.158 0.020 A 24 GLY C C 13 173.755 0.3 A 24 GLY CA C 13 45.538 0.3 A 24 GLY N N 15 104.460 0.3 A 25 GLU H H 1 7.874 0.020 A 25 GLU HA H 1 4.588 0.020 A 25 GLU HBx H 1 1.862 0.020 A 25 GLU HBy H 1 1.992 0.020 A 25 GLU HG2 H 1 2.156 0.020 A 25 GLU HG3 H 1 2.156 0.020 A 25 GLU C C 13 173.460 0.3 A 25 GLU CA C 13 54.186 0.3 A 25 GLU CB C 13 31.441 0.3 A 25 GLU CG C 13 34.732 0.3 A 25 GLU N N 15 120.865 0.3 A 26 ALA H H 1 8.282 0.020 A 26 ALA HA H 1 4.704 0.020 A 26 ALA HB% H 1 1.232 0.020 A 26 ALA C C 13 176.711 0.3 A 26 ALA CA C 13 51.309 0.3 A 26 ALA CB C 13 21.657 0.3 A 26 ALA N N 15 124.783 0.3 A 27 TYR H H 1 8.671 0.020 A 27 TYR HA H 1 5.832 0.020 A 27 TYR HBx H 1 2.974 0.020 A 27 TYR HBy H 1 3.054 0.020 A 27 TYR HD1 H 1 7.210 0.020 A 27 TYR HD2 H 1 7.210 0.020 A 27 TYR HE1 H 1 6.848 0.020 A 27 TYR HE2 H 1 6.848 0.020 A 27 TYR C C 13 176.296 0.3 A 27 TYR CA C 13 56.269 0.3 A 27 TYR CB C 13 43.228 0.3 A 27 TYR CD1 C 13 133.735 0.3 A 27 TYR CD2 C 13 133.735 0.3 A 27 TYR CE1 C 13 118.454 0.3 A 27 TYR CE2 C 13 118.454 0.3 A 27 TYR N N 15 116.193 0.3 A 28 CYS H H 1 9.496 0.020 A 28 CYS HA H 1 4.873 0.020 A 28 CYS HBx H 1 2.861 0.020 A 28 CYS HBy H 1 3.819 0.020 A 28 CYS C C 13 172.757 0.3 A 28 CYS CA C 13 58.452 0.3 A 28 CYS CB C 13 32.337 0.3 A 28 CYS N N 15 117.447 0.3 A 29 SER H H 1 7.207 0.020 A 29 SER HA H 1 4.218 0.020 A 29 SER HBx H 1 3.936 0.020 A 29 SER HBy H 1 4.118 0.020 A 29 SER C C 13 172.608 0.3 A 29 SER CA C 13 56.866 0.3 A 29 SER CB C 13 65.033 0.3 A 29 SER N N 15 108.529 0.3 A 30 GLN H H 1 8.465 0.020 A 30 GLN HA H 1 3.016 0.020 A 30 GLN HB2 H 1 1.541 0.020 A 30 GLN HB3 H 1 1.541 0.020 A 30 GLN HE21 H 1 7.795 0.020 A 30 GLN HE22 H 1 6.643 0.020 A 30 GLN HG2 H 1 1.958 0.020 A 30 GLN HG3 H 1 1.958 0.020 A 30 GLN C C 13 176.826 0.3 A 30 GLN CA C 13 58.424 0.3 A 30 GLN CB C 13 27.445 0.3 A 30 GLN CG C 13 32.435 0.3 A 30 GLN N N 15 124.352 0.3 A 30 GLN NE2 N 15 111.673 0.3 A 31 ALA H H 1 8.126 0.020 A 31 ALA HA H 1 3.760 0.020 A 31 ALA HB% H 1 1.017 0.020 A 31 ALA C C 13 179.174 0.3 A 31 ALA CA C 13 55.089 0.3 A 31 ALA CB C 13 18.784 0.3 A 31 ALA N N 15 119.299 0.3 A 32 CYS H H 1 6.819 0.020 A 32 CYS HA H 1 3.612 0.020 A 32 CYS HBx H 1 2.752 0.020 A 32 CYS HBy H 1 3.257 0.020 A 32 CYS C C 13 176.544 0.3 A 32 CYS CA C 13 63.077 0.3 A 32 CYS CB C 13 32.107 0.3 A 32 CYS N N 15 112.200 0.3 A 33 ALA H H 1 7.335 0.020 A 33 ALA HA H 1 1.892 0.020 A 33 ALA HB% H 1 0.921 0.020 A 33 ALA C C 13 177.646 0.3 A 33 ALA CA C 13 54.319 0.3 A 33 ALA CB C 13 19.143 0.3 A 33 ALA N N 15 124.144 0.3 A 34 GLU H H 1 7.488 0.020 A 34 GLU HA H 1 3.902 0.020 A 34 GLU HB2 H 1 1.431 0.020 A 34 GLU HB3 H 1 1.431 0.020 A 34 GLU HGx H 1 1.919 0.020 A 34 GLU HGy H 1 2.107 0.020 A 34 GLU C C 13 176.631 0.3 A 34 GLU CA C 13 55.243 0.3 A 34 GLU CB C 13 29.174 0.3 A 34 GLU CG C 13 36.763 0.3 A 34 GLU N N 15 111.881 0.3 A 35 GLN H H 1 7.315 0.020 A 35 GLN HA H 1 3.748 0.020 A 35 GLN HBx H 1 2.168 0.020 A 35 GLN HBy H 1 2.255 0.020 A 35 GLN HE21 H 1 7.510 0.020 A 35 GLN HE22 H 1 6.691 0.020 A 35 GLN HGy H 1 2.257 0.020 A 35 GLN HGx H 1 2.142 0.020 A 35 GLN C C 13 174.980 0.3 A 35 GLN CA C 13 57.171 0.3 A 35 GLN CB C 13 25.130 0.3 A 35 GLN CG C 13 34.146 0.3 A 35 GLN N N 15 112.895 0.3 A 35 GLN NE2 N 15 112.570 0.3 A 36 HIS H H 1 8.422 0.020 A 36 HIS HA H 1 3.791 0.020 A 36 HIS HBx H 1 2.738 0.020 A 36 HIS HBy H 1 3.516 0.020 A 36 HIS HD1 H 1 13.330 0.020 A 36 HIS HD2 H 1 6.962 0.020 A 36 HIS HE1 H 1 7.473 0.020 A 36 HIS CA C 13 56.540 0.3 A 36 HIS CB C 13 26.896 0.3 A 36 HIS CD2 C 13 129.018 0.3 A 36 HIS CE1 C 13 139.205 0.3 A 36 HIS N N 15 110.689 0.3 A 36 HIS ND1 N 15 173.925 0.3 A 36 HIS NE2 N 15 225.689 0.3 A 37 PRO HA H 1 4.335 0.020 A 37 PRO HBx H 1 1.929 0.020 A 37 PRO HBy H 1 2.239 0.020 A 37 PRO HDx H 1 3.800 0.020 A 37 PRO HDy H 1 4.091 0.020 A 37 PRO HGx H 1 2.024 0.020 A 37 PRO HGy H 1 2.245 0.020 A 37 PRO C C 13 178.474 0.3 A 37 PRO CA C 13 64.407 0.3 A 37 PRO CB C 13 31.953 0.3 A 37 PRO CD C 13 50.971 0.3 A 37 PRO CG C 13 27.446 0.3 A 38 ASN H H 1 9.585 0.020 A 38 ASN HA H 1 4.697 0.020 A 38 ASN HBx H 1 2.699 0.020 A 38 ASN HBy H 1 2.790 0.020 A 38 ASN HD21 H 1 7.892 0.020 A 38 ASN HD22 H 1 6.984 0.020 A 38 ASN C C 13 175.814 0.3 A 38 ASN CA C 13 51.934 0.3 A 38 ASN CB C 13 40.012 0.3 A 38 ASN N N 15 117.677 0.3 A 38 ASN ND2 N 15 115.782 0.3 A 39 GLY H H 1 8.136 0.020 A 39 GLY HAx H 1 3.741 0.020 A 39 GLY HAy H 1 3.935 0.020 A 39 GLY CA C 13 46.208 0.3 A 39 GLY N N 15 108.455 0.3 A 40 GLU HA H 1 4.247 0.020 A 40 GLU HBx H 1 1.929 0.020 A 40 GLU HBy H 1 2.140 0.020 A 40 GLU HGx H 1 2.216 0.020 A 40 GLU HGy H 1 2.316 0.020 A 40 GLU CA C 13 56.999 0.3 A 40 GLU CB C 13 29.978 0.3 A 40 GLU CG C 13 36.855 0.3 A 41 PRO HA H 1 4.515 0.020 A 41 PRO HBx H 1 2.001 0.020 A 41 PRO HBy H 1 2.227 0.020 A 41 PRO HDx H 1 3.605 0.020 A 41 PRO HDy H 1 3.895 0.020 A 41 PRO HGx H 1 1.840 0.020 A 41 PRO HGy H 1 1.944 0.020 A 41 PRO C C 13 177.675 0.3 A 41 PRO CA C 13 62.719 0.3 A 41 PRO CB C 13 32.407 0.3 A 41 PRO CD C 13 50.521 0.3 A 41 PRO CG C 13 26.908 0.3 A 42 CYS H H 1 9.652 0.020 A 42 CYS HA H 1 4.932 0.020 A 42 CYS HBx H 1 3.033 0.020 A 42 CYS HBy H 1 3.788 0.020 A 42 CYS CA C 13 56.977 0.3 A 42 CYS CB C 13 31.472 0.3 A 42 CYS N N 15 119.854 0.3 A 43 PRO HA H 1 4.364 0.020 A 43 PRO HBx H 1 2.246 0.020 A 43 PRO HBy H 1 2.416 0.020 A 43 PRO HDx H 1 4.164 0.020 A 43 PRO HDy H 1 4.250 0.020 A 43 PRO HGx H 1 2.001 0.020 A 43 PRO HGy H 1 2.104 0.020 A 43 PRO C C 13 175.787 0.3 A 43 PRO CA C 13 65.023 0.3 A 43 PRO CB C 13 31.806 0.3 A 43 PRO CD C 13 51.653 0.3 A 43 PRO CG C 13 27.367 0.3 A 44 ALA H H 1 7.482 0.020 A 44 ALA HA H 1 4.736 0.020 A 44 ALA HB% H 1 1.327 0.020 A 44 ALA CA C 13 49.827 0.3 A 44 ALA CB C 13 19.759 0.3 A 44 ALA N N 15 125.531 0.3 A 45 PRO HA H 1 4.326 0.020 A 45 PRO HBx H 1 1.916 0.020 A 45 PRO HBy H 1 2.314 0.020 A 45 PRO HDx H 1 3.806 0.020 A 45 PRO HDy H 1 4.099 0.020 A 45 PRO HGx H 1 1.960 0.020 A 45 PRO HGy H 1 2.005 0.020 A 45 PRO C C 13 176.813 0.3 A 45 PRO CA C 13 64.360 0.3 A 45 PRO CB C 13 31.983 0.3 A 45 PRO CD C 13 50.912 0.3 A 45 PRO CG C 13 27.265 0.3 A 46 ASP H H 1 8.269 0.020 A 46 ASP HA H 1 4.479 0.020 A 46 ASP HBx H 1 2.454 0.020 A 46 ASP HBy H 1 2.687 0.020 A 46 ASP C C 13 174.364 0.3 A 46 ASP CA C 13 53.347 0.3 A 46 ASP CB C 13 40.742 0.3 A 46 ASP N N 15 114.273 0.3 A 47 CYS H H 1 7.304 0.020 A 47 CYS HA H 1 4.124 0.020 A 47 CYS HBx H 1 2.647 0.020 A 47 CYS HBy H 1 3.041 0.020 A 47 CYS CA C 13 60.358 0.3 A 47 CYS CB C 13 30.986 0.3 A 47 CYS N N 15 121.945 0.3 A 48 HIS HA H 1 5.333 0.020 A 48 HIS HBx H 1 3.142 0.020 A 48 HIS HBy H 1 3.179 0.020 A 48 HIS HD2 H 1 7.123 0.020 A 48 HIS HE1 H 1 8.429 0.020 A 48 HIS C C 13 176.130 0.3 A 48 HIS CA C 13 54.401 0.3 A 48 HIS CB C 13 26.794 0.3 A 48 HIS CD2 C 13 120.904 0.3 A 48 HIS CE1 C 13 136.706 0.3 A 48 HIS ND1 N 15 182.279 0.3 A 48 HIS NE2 N 15 174.791 0.3 A 49 CYS H H 1 8.048 0.020 A 49 CYS HA H 1 4.276 0.020 A 49 CYS HBx H 1 2.881 0.020 A 49 CYS HBy H 1 3.080 0.020 A 49 CYS C C 13 173.783 0.3 A 49 CYS CA C 13 59.933 0.3 A 49 CYS CB C 13 30.933 0.3 A 49 CYS N N 15 119.002 0.3 A 50 GLU H H 1 9.995 0.020 A 50 GLU HA H 1 3.025 0.020 A 50 GLU HB2 H 1 1.345 0.020 A 50 GLU HB3 H 1 1.345 0.020 A 50 GLU HGy H 1 2.260 0.020 A 50 GLU HGx H 1 1.841 0.020 A 50 GLU C C 13 175.778 0.3 A 50 GLU CA C 13 56.664 0.3 A 50 GLU CB C 13 28.236 0.3 A 50 GLU CG C 13 34.708 0.3 A 50 GLU N N 15 125.880 0.3 A 51 ARG H H 1 7.681 0.020 A 51 ARG HA H 1 4.272 0.020 A 51 ARG HBx H 1 1.796 0.020 A 51 ARG HBy H 1 1.859 0.020 A 51 ARG HD2 H 1 3.137 0.020 A 51 ARG HD3 H 1 3.137 0.020 A 51 ARG HG2 H 1 1.553 0.020 A 51 ARG HG3 H 1 1.553 0.020 A 51 ARG C C 13 175.902 0.3 A 51 ARG CA C 13 56.085 0.3 A 51 ARG CB C 13 30.225 0.3 A 51 ARG CD C 13 43.363 0.3 A 51 ARG CG C 13 27.146 0.3 A 51 ARG N N 15 121.101 0.3 A 52 SER H H 1 7.918 0.020 A 52 SER HA H 1 4.336 0.020 A 52 SER HB2 H 1 3.853 0.020 A 52 SER HB3 H 1 3.853 0.020 A 52 SER C C 13 175.404 0.3 A 52 SER CA C 13 58.715 0.3 A 52 SER CB C 13 63.662 0.3 A 52 SER N N 15 115.655 0.3 A 53 GLY H H 1 8.420 0.020 A 53 GLY HAx H 1 3.905 0.020 A 53 GLY HAy H 1 3.997 0.020 A 53 GLY C C 13 174.155 0.3 A 53 GLY CA C 13 45.433 0.3 A 53 GLY N N 15 110.929 0.3 A 54 LYS H H 1 8.064 0.020 A 54 LYS HA H 1 4.335 0.020 A 54 LYS HBx H 1 1.732 0.020 A 54 LYS HBy H 1 1.816 0.020 A 54 LYS HD2 H 1 1.646 0.020 A 54 LYS HD3 H 1 1.646 0.020 A 54 LYS HE2 H 1 2.977 0.020 A 54 LYS HE3 H 1 2.977 0.020 A 54 LYS HGx H 1 1.368 0.020 A 54 LYS HGy H 1 1.417 0.020 A 54 LYS C C 13 176.751 0.3 A 54 LYS CA C 13 56.319 0.3 A 54 LYS CB C 13 33.027 0.3 A 54 LYS CD C 13 29.022 0.3 A 54 LYS CE C 13 42.162 0.3 A 54 LYS CG C 13 24.709 0.3 A 54 LYS N N 15 120.637 0.3 A 55 VAL H H 1 8.156 0.020 A 55 VAL HA H 1 4.131 0.020 A 55 VAL HB H 1 2.075 0.020 A 55 VAL HGx% H 1 0.937 0.020 A 55 VAL HGy% H 1 0.927 0.020 A 55 VAL C C 13 176.760 0.3 A 55 VAL CA C 13 62.415 0.3 A 55 VAL CB C 13 32.713 0.3 A 55 VAL CG1 C 13 20.577 0.3 A 55 VAL CG2 C 13 21.110 0.3 A 55 VAL N N 15 120.991 0.3 A 56 GLY H H 1 8.513 0.020 A 56 GLY HA2 H 1 3.968 0.020 A 56 GLY HA3 H 1 3.968 0.020 A 56 GLY C C 13 174.615 0.3 A 56 GLY CA C 13 45.303 0.3 A 56 GLY N N 15 112.738 0.3 A 57 GLY H H 1 8.281 0.020 A 57 GLY HA2 H 1 3.963 0.020 A 57 GLY HA3 H 1 3.963 0.020 A 57 GLY C C 13 174.107 0.3 A 57 GLY CA C 13 45.274 0.3 A 57 GLY N N 15 108.510 0.3 A 58 ARG H H 1 8.176 0.020 A 58 ARG HA H 1 4.345 0.020 A 58 ARG HBx H 1 1.738 0.020 A 58 ARG HBy H 1 1.832 0.020 A 58 ARG HD2 H 1 3.141 0.020 A 58 ARG HD3 H 1 3.141 0.020 A 58 ARG HG2 H 1 1.576 0.020 A 58 ARG HG3 H 1 1.576 0.020 A 58 ARG C C 13 175.860 0.3 A 58 ARG CA C 13 56.002 0.3 A 58 ARG CB C 13 30.987 0.3 A 58 ARG CD C 13 43.278 0.3 A 58 ARG CG C 13 27.099 0.3 A 58 ARG N N 15 120.172 0.3 A 59 ASP H H 1 8.444 0.020 A 59 ASP HA H 1 4.617 0.020 A 59 ASP HBx H 1 2.577 0.020 A 59 ASP HBy H 1 2.705 0.020 A 59 ASP C C 13 176.231 0.3 A 59 ASP CA C 13 54.249 0.3 A 59 ASP CB C 13 41.105 0.3 A 59 ASP N N 15 121.560 0.3 A 60 ILE H H 1 8.123 0.020 A 60 ILE HA H 1 4.227 0.020 A 60 ILE HB H 1 1.928 0.020 A 60 ILE HD1% H 1 0.848 0.020 A 60 ILE HG1x H 1 1.182 0.020 A 60 ILE HG1y H 1 1.417 0.020 A 60 ILE HG2% H 1 0.884 0.020 A 60 ILE C C 13 176.560 0.3 A 60 ILE CA C 13 61.368 0.3 A 60 ILE CB C 13 38.584 0.3 A 60 ILE CD1 C 13 13.154 0.3 A 60 ILE CG1 C 13 27.098 0.3 A 60 ILE CG2 C 13 17.504 0.3 A 60 ILE N N 15 120.821 0.3 A 61 THR H H 1 8.237 0.020 A 61 THR HA H 1 4.305 0.020 A 61 THR HB H 1 4.196 0.020 A 61 THR HG2% H 1 1.183 0.020 A 61 THR C C 13 174.387 0.3 A 61 THR CA C 13 62.135 0.3 A 61 THR CB C 13 69.673 0.3 A 61 THR CG2 C 13 21.564 0.3 A 61 THR N N 15 117.233 0.3 A 62 ASN H H 1 8.354 0.020 A 62 ASN HA H 1 4.720 0.020 A 62 ASN HBx H 1 2.727 0.020 A 62 ASN HBy H 1 2.837 0.020 A 62 ASN HD21 H 1 7.609 0.020 A 62 ASN HD22 H 1 6.874 0.020 A 62 ASN C C 13 174.893 0.3 A 62 ASN CA C 13 53.224 0.3 A 62 ASN CB C 13 38.829 0.3 A 62 ASN N N 15 120.825 0.3 A 62 ASN ND2 N 15 112.590 0.3 A 63 ASN H H 1 8.389 0.020 A 63 ASN HA H 1 4.664 0.020 A 63 ASN HBx H 1 2.749 0.020 A 63 ASN HBy H 1 2.810 0.020 A 63 ASN HD21 H 1 7.555 0.020 A 63 ASN HD22 H 1 6.868 0.020 A 63 ASN C C 13 175.156 0.3 A 63 ASN CA C 13 53.422 0.3 A 63 ASN CB C 13 38.809 0.3 A 63 ASN N N 15 119.520 0.3 A 63 ASN ND2 N 15 112.510 0.3 A 64 GLN H H 1 8.328 0.020 A 64 GLN HA H 1 4.264 0.020 A 64 GLN HBx H 1 1.990 0.020 A 64 GLN HBy H 1 2.110 0.020 A 64 GLN HE21 H 1 7.570 0.020 A 64 GLN HE22 H 1 6.812 0.020 A 64 GLN HG2 H 1 2.335 0.020 A 64 GLN HG3 H 1 2.335 0.020 A 64 GLN C C 13 175.984 0.3 A 64 GLN CA C 13 56.447 0.3 A 64 GLN CB C 13 29.214 0.3 A 64 GLN CG C 13 33.866 0.3 A 64 GLN N N 15 120.420 0.3 A 64 GLN NE2 N 15 112.506 0.3 A 65 LEU H H 1 8.206 0.020 A 65 LEU HA H 1 4.290 0.020 A 65 LEU HB2 H 1 1.571 0.020 A 65 LEU HB3 H 1 1.571 0.020 A 65 LEU HDx% H 1 0.849 0.020 A 65 LEU HDy% H 1 0.908 0.020 A 65 LEU HG H 1 1.602 0.020 A 65 LEU C C 13 177.124 0.3 A 65 LEU CA C 13 55.172 0.3 A 65 LEU CB C 13 42.412 0.3 A 65 LEU CD1 C 13 23.453 0.3 A 65 LEU CD2 C 13 24.904 0.3 A 65 LEU CG C 13 26.882 0.3 A 65 LEU N N 15 123.060 0.3 A 66 ASP H H 1 8.259 0.020 A 66 ASP HA H 1 4.561 0.020 A 66 ASP HBx H 1 2.473 0.020 A 66 ASP HBy H 1 2.705 0.020 A 66 ASP C C 13 176.264 0.3 A 66 ASP CA C 13 54.460 0.3 A 66 ASP CB C 13 40.746 0.3 A 66 ASP N N 15 121.286 0.3 A 67 GLU H H 1 8.264 0.020 A 67 GLU HA H 1 4.214 0.020 A 67 GLU HBx H 1 1.883 0.020 A 67 GLU HBy H 1 2.018 0.020 A 67 GLU HG2 H 1 2.243 0.020 A 67 GLU HG3 H 1 2.243 0.020 A 67 GLU C C 13 176.190 0.3 A 67 GLU CA C 13 56.680 0.3 A 67 GLU CB C 13 30.428 0.3 A 67 GLU CG C 13 36.256 0.3 A 67 GLU N N 15 121.354 0.3 A 68 ALA H H 1 8.250 0.020 A 68 ALA HA H 1 4.295 0.020 A 68 ALA HB% H 1 1.366 0.020 A 68 ALA C C 13 177.852 0.3 A 68 ALA CA C 13 52.425 0.3 A 68 ALA CB C 13 19.034 0.3 A 68 ALA N N 15 123.695 0.3 A 69 LEU H H 1 8.124 0.020 A 69 LEU HA H 1 4.302 0.020 A 69 LEU HB2 H 1 1.631 0.020 A 69 LEU HB3 H 1 1.631 0.020 A 69 LEU HDx% H 1 0.854 0.020 A 69 LEU HDy% H 1 0.915 0.020 A 69 LEU HG H 1 1.584 0.020 A 69 LEU C C 13 177.528 0.3 A 69 LEU CA C 13 55.054 0.3 A 69 LEU CB C 13 42.414 0.3 A 69 LEU CD1 C 13 23.457 0.3 A 69 LEU CD2 C 13 24.919 0.3 A 69 LEU CG C 13 26.893 0.3 A 69 LEU N N 15 120.771 0.3 A 70 GLU H H 1 8.141 0.020 A 70 GLU HA H 1 4.231 0.020 A 70 GLU HBx H 1 1.876 0.020 A 70 GLU HBy H 1 2.024 0.020 A 70 GLU HG2 H 1 2.212 0.020 A 70 GLU HG3 H 1 2.212 0.020 A 70 GLU C C 13 176.167 0.3 A 70 GLU CA C 13 56.434 0.3 A 70 GLU CB C 13 30.357 0.3 A 70 GLU CG C 13 36.278 0.3 A 70 GLU N N 15 120.912 0.3 A 71 GLU H H 1 8.297 0.020 A 71 GLU HA H 1 4.279 0.020 A 71 GLU HBx H 1 1.906 0.020 A 71 GLU HBy H 1 1.997 0.020 A 71 GLU HG2 H 1 2.163 0.020 A 71 GLU HG3 H 1 2.163 0.020 A 71 GLU C C 13 175.993 0.3 A 71 GLU CA C 13 56.050 0.3 A 71 GLU CB C 13 30.421 0.3 A 71 GLU CG C 13 35.883 0.3 A 71 GLU N N 15 121.802 0.3 A 72 THR H H 1 8.060 0.020 A 72 THR HA H 1 4.252 0.020 A 72 THR HB H 1 4.045 0.020 A 72 THR HG2% H 1 1.081 0.020 A 72 THR C C 13 173.658 0.3 A 72 THR CA C 13 61.520 0.3 A 72 THR CB C 13 70.022 0.3 A 72 THR CG2 C 13 21.523 0.3 A 72 THR N N 15 115.653 0.3 A 73 PHE H H 1 8.300 0.020 A 73 PHE HA H 1 4.894 0.020 A 73 PHE HBx H 1 2.903 0.020 A 73 PHE HBy H 1 3.153 0.020 A 73 PHE HD1 H 1 7.276 0.020 A 73 PHE HD2 H 1 7.276 0.020 A 73 PHE CA C 13 55.511 0.3 A 73 PHE CB C 13 39.123 0.3 A 73 PHE CD1 C 13 131.768 0.3 A 73 PHE CD2 C 13 131.768 0.3 A 73 PHE N N 15 123.407 0.3 A 74 PRO HA H 1 4.418 0.020 A 74 PRO HBx H 1 1.911 0.020 A 74 PRO HBy H 1 2.260 0.020 A 74 PRO HDx H 1 3.705 0.020 A 74 PRO HDy H 1 3.832 0.020 A 74 PRO HG2 H 1 2.001 0.020 A 74 PRO HG3 H 1 2.001 0.020 A 74 PRO C C 13 176.548 0.3 A 74 PRO CA C 13 63.024 0.3 A 74 PRO CB C 13 31.902 0.3 A 74 PRO CD C 13 50.589 0.3 A 74 PRO CG C 13 27.268 0.3 A 75 ALA H H 1 8.395 0.020 A 75 ALA HA H 1 4.350 0.020 A 75 ALA HB% H 1 1.411 0.020 A 75 ALA C C 13 177.730 0.3 A 75 ALA CA C 13 52.337 0.3 A 75 ALA CB C 13 19.273 0.3 A 75 ALA N N 15 124.891 0.3 A 76 SER H H 1 8.257 0.020 A 76 SER HA H 1 4.443 0.020 A 76 SER HB2 H 1 3.827 0.020 A 76 SER HB3 H 1 3.827 0.020 A 76 SER C C 13 173.892 0.3 A 76 SER CA C 13 57.925 0.3 A 76 SER CB C 13 64.062 0.3 A 76 SER N N 15 115.286 0.3 A 77 ASP H H 1 8.317 0.020 A 77 ASP HA H 1 4.858 0.020 A 77 ASP HBx H 1 2.457 0.020 A 77 ASP HBy H 1 2.686 0.020 A 77 ASP CA C 13 52.723 0.3 A 77 ASP CB C 13 40.472 0.3 A 77 ASP N N 15 123.674 0.3 A 78 PRO HA H 1 3.892 0.020 A 78 PRO HB2 H 1 1.882 0.020 A 78 PRO HB3 H 1 1.882 0.020 A 78 PRO HDx H 1 3.342 0.020 A 78 PRO HDy H 1 3.468 0.020 A 78 PRO HG2 H 1 1.689 0.020 A 78 PRO HG3 H 1 1.689 0.020 A 78 PRO CA C 13 62.627 0.3 A 78 PRO CB C 13 34.100 0.3 A 78 PRO CD C 13 49.844 0.3 A 78 PRO CG C 13 24.687 0.3 A 79 ILE H H 1 8.233 0.020 A 79 ILE HA H 1 4.142 0.020 A 79 ILE HB H 1 1.846 0.020 A 79 ILE HD1% H 1 0.850 0.020 A 79 ILE HG1x H 1 1.191 0.020 A 79 ILE HG1y H 1 1.468 0.020 A 79 ILE HG2% H 1 0.898 0.020 A 79 ILE C C 13 176.176 0.3 A 79 ILE CA C 13 61.011 0.3 A 79 ILE CB C 13 38.603 0.3 A 79 ILE CD1 C 13 12.806 0.3 A 79 ILE CG1 C 13 27.300 0.3 A 79 ILE CG2 C 13 17.691 0.3 A 79 ILE N N 15 121.009 0.3 A 80 SER H H 1 8.294 0.020 A 80 SER HA H 1 4.759 0.020 A 80 SER HBx H 1 3.768 0.020 A 80 SER HBy H 1 3.884 0.020 A 80 SER CA C 13 56.038 0.3 A 80 SER CB C 13 63.501 0.3 A 80 SER N N 15 121.514 0.3 A 81 PRO HA H 1 4.250 0.020 A 81 PRO HBx H 1 1.909 0.020 A 81 PRO HBy H 1 2.254 0.020 A 81 PRO HDx H 1 3.532 0.020 A 81 PRO HDy H 1 3.762 0.020 A 81 PRO HGx H 1 1.938 0.020 A 81 PRO HGy H 1 2.010 0.020 A 81 PRO CA C 13 64.772 0.3 A 81 PRO CB C 13 32.026 0.3 A 81 PRO CD C 13 50.575 0.3 A 81 PRO CG C 13 27.099 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 29 SER HBx A 42 CYS HA 1.0 0.0 4.99 2 2 A 29 SER HBy A 31 ALA HB% 1.0 0.0 4.71 3 3 A 29 SER HBy A 43 PRO HBx 1.0 0.0 5.50 4 4 A 29 SER HBx A 32 CYS H 1.0 0.0 5.16 5 5 A 29 SER HBx A 42 CYS HBx 1.0 0.0 4.05 6 6 A 16 PRO HA A 19 VAL H 1.0 0.0 5.08 7 7 A 29 SER HBy A 31 ALA H 1.0 0.0 4.10 8 8 A 45 PRO HA A 47 CYS HBy 1.0 0.0 5.50 9 9 A 29 SER HBx A 31 ALA H 1.0 0.0 4.53 10 10 A 16 PRO HA A 3 LEU HB2 1.0 0.0 5.27 11 10 A 16 PRO HA A 3 LEU HB3 1.0 0.0 5.27 12 11 A 16 PRO HA A 3 LEU HDy% 1.0 0.0 3.47 13 12 A 16 PRO HA A 19 VAL HGx% 1.0 0.0 3.84 14 13 A 52 SER HB2 A 55 VAL HGx% 1.0 0.0 5.14 15 13 A 52 SER HB3 A 55 VAL HGx% 1.0 0.0 5.14 16 13 A 55 VAL HGy% A 52 SER HB2 1.0 0.0 5.14 17 13 A 52 SER HB3 A 55 VAL HGy% 1.0 0.0 5.14 18 14 A 74 PRO HA A 75 ALA HB% 1.0 0.0 5.50 19 15 A 32 CYS HA A 37 PRO HDy 1.0 0.0 5.50 20 16 A 31 ALA HB% A 41 PRO HA 1.0 0.0 5.42 21 17 A 74 PRO HA A 75 ALA H 1.0 0.0 3.50 22 18 A 32 CYS HA A 36 HIS H 1.0 0.0 4.65 23 19 A 32 CYS HA A 35 GLN H 1.0 0.0 4.62 24 20 A 32 CYS HA A 36 HIS HD2 1.0 0.0 4.42 25 21 A 41 PRO HA A 50 GLU H 1.0 0.0 5.50 26 22 A 41 PRO HA A 50 GLU HB2 1.0 0.0 3.40 27 22 A 41 PRO HA A 50 GLU HB3 1.0 0.0 3.40 28 23 A 55 VAL HA A 55 VAL HGx% 1.0 0.0 3.18 29 23 A 55 VAL HGy% A 55 VAL HA 1.0 0.0 3.18 30 24 A 61 THR HA A 62 ASN HA 1.0 0.0 5.37 31 25 A 61 THR HA A 61 THR HG2% 1.0 0.0 3.44 32 26 A 18 ARG H A 19 VAL HA 1.0 0.0 5.30 33 27 A 19 VAL HA A 26 ALA HB% 1.0 0.0 5.09 34 28 A 19 VAL HA A 19 VAL HGy% 1.0 0.0 3.21 35 29 A 19 VAL HA A 14 VAL HGx% 1.0 0.0 3.36 36 30 A 12 CYS HA A 13 LYS HB2 1.0 0.0 4.62 37 30 A 12 CYS HA A 13 LYS HB3 1.0 0.0 4.62 38 31 A 14 VAL HA A 28 CYS HA 1.0 0.0 4.26 39 32 A 14 VAL HA A 15 ASP HBx 1.0 0.0 4.32 40 33 A 14 VAL HGx% A 14 VAL HA 1.0 0.0 3.39 41 34 A 72 THR HA A 72 THR HB 1.0 0.0 2.53 42 35 A 78 PRO HA A 79 ILE HA 1.0 0.0 4.39 43 36 A 5 CYS HA A 27 TYR HD% 1.0 0.0 5.08 44 37 A 5 CYS HA A 14 VAL HB 1.0 0.0 5.02 45 38 A 49 CYS HA A 51 ARG H 1.0 0.0 4.30 46 39 A 44 ALA HB% A 47 CYS HA 1.0 0.0 5.35 47 40 A 49 CYS HA A 52 SER H 1.0 0.0 5.50 48 41 A 28 CYS HA A 14 VAL HB 1.0 0.0 5.19 49 42 A 28 CYS HA A 27 TYR HA 1.0 0.0 4.92 50 43 A 52 SER HA A 52 SER HB2 1.0 0.0 2.94 51 43 A 52 SER HB3 A 52 SER HA 1.0 0.0 2.94 52 44 A 52 SER HA A 55 VAL HGx% 1.0 0.0 5.32 53 44 A 55 VAL HGy% A 52 SER HA 1.0 0.0 5.32 54 45 A 49 CYS HA A 10 CYS HA 1.0 0.0 4.99 55 46 A 10 CYS HA A 49 CYS HBx 1.0 0.0 3.75 56 47 A 10 CYS HA A 49 CYS HBy 1.0 0.0 3.39 57 48 A 30 GLN HA A 30 GLN HG2 1.0 0.0 3.36 58 48 A 30 GLN HA A 30 GLN HG3 1.0 0.0 3.36 59 49 A 20 PHE HA A 30 GLN H 1.0 0.0 5.50 60 50 A 20 PHE HA A 21 ASN HA 1.0 0.0 5.31 61 51 A 19 VAL HA A 20 PHE HA 1.0 0.0 5.41 62 52 A 7 CYS HA A 8 PRO HG2 1.0 0.0 4.16 63 52 A 7 CYS HA A 8 PRO HG3 1.0 0.0 4.16 64 53 A 7 CYS HA A 10 CYS H 1.0 0.0 5.50 65 54 A 30 GLN HA A 20 PHE HA 1.0 0.0 5.50 66 55 A 19 VAL HGx% A 20 PHE HA 1.0 0.0 5.01 67 56 A 19 VAL HGy% A 20 PHE HA 1.0 0.0 5.24 68 57 A 34 GLU H A 35 GLN HA 1.0 0.0 5.50 69 58 A 7 CYS HA A 6 GLY HAy 1.0 0.0 5.50 70 59 A 42 CYS HA A 29 SER HBy 1.0 0.0 3.85 71 60 A 42 CYS HA A 42 CYS HBx 1.0 0.0 2.83 72 61 A 42 CYS HA A 41 PRO HBx 1.0 0.0 4.90 73 62 A 19 VAL HGx% A 17 GLU HA 1.0 0.0 4.83 74 63 A 17 GLU HA A 18 ARG HA 1.0 0.0 4.79 75 64 A 41 PRO HA A 50 GLU HA 1.0 0.0 5.22 76 65 A 50 GLU HA A 36 HIS HBy 1.0 0.0 4.82 77 66 A 27 TYR HA A 26 ALA HA 1.0 0.0 5.14 78 67 A 27 TYR HA A 32 CYS HBy 1.0 0.0 5.49 79 68 A 36 HIS HA A 39 GLY HAx 1.0 0.0 4.58 80 69 A 49 CYS HA A 50 GLU HA 1.0 0.0 5.13 81 70 A 50 GLU HA A 51 ARG HG2 1.0 0.0 5.50 82 70 A 50 GLU HA A 51 ARG HG3 1.0 0.0 5.50 83 71 A 27 TYR HA A 27 TYR HE% 1.0 0.0 5.50 84 72 A 5 CYS HA A 27 TYR HA 1.0 0.0 3.60 85 73 A 64 GLN HA A 64 GLN HG2 1.0 0.0 3.89 86 73 A 64 GLN HA A 64 GLN HG3 1.0 0.0 3.89 87 74 A 51 ARG HA A 51 ARG HD2 1.0 0.0 4.67 88 74 A 51 ARG HA A 51 ARG HD3 1.0 0.0 4.67 89 75 A 51 ARG HA A 51 ARG HG2 1.0 0.0 3.50 90 75 A 51 ARG HG3 A 51 ARG HA 1.0 0.0 3.50 91 76 A 54 LYS HA A 53 GLY HAx 1.0 0.0 4.75 92 77 A 58 ARG HA A 58 ARG HD2 1.0 0.0 4.41 93 77 A 58 ARG HA A 58 ARG HD3 1.0 0.0 4.41 94 78 A 54 LYS HA A 53 GLY HAy 1.0 0.0 4.75 95 79 A 13 LYS HA A 14 VAL HGy% 1.0 0.0 4.28 96 80 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.73 97 81 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.73 98 82 A 34 GLU HA A 33 ALA HB% 1.0 0.0 4.79 99 83 A 37 PRO HDy A 34 GLU HA 1.0 0.0 5.20 100 84 A 32 CYS HA A 31 ALA HA 1.0 0.0 4.73 101 85 A 4 ARG HA A 5 CYS H 1.0 0.0 2.79 102 86 A 4 ARG HA A 5 CYS HBx 1.0 0.0 4.71 103 87 A 4 ARG HA A 4 ARG HB2 1.0 0.0 3.02 104 87 A 4 ARG HA A 4 ARG HB3 1.0 0.0 3.02 105 88 A 14 VAL HGy% A 4 ARG HA 1.0 0.0 4.27 106 89 A 4 ARG HA A 4 ARG HG2 1.0 0.0 3.35 107 89 A 4 ARG HA A 4 ARG HG3 1.0 0.0 3.35 108 90 A 18 ARG HA A 18 ARG HG2 1.0 0.0 3.66 109 90 A 18 ARG HA A 18 ARG HG3 1.0 0.0 3.66 110 91 A 22 HIS HA A 23 ASP HA 1.0 0.0 4.38 111 92 A 31 ALA HA A 33 ALA H 1.0 0.0 4.79 112 93 A 48 HIS HA A 48 HIS HD2 1.0 0.0 5.50 113 94 A 25 GLU HA A 25 GLU HG2 1.0 0.0 3.59 114 94 A 25 GLU HA A 25 GLU HG3 1.0 0.0 3.59 115 95 A 27 TYR HE% A 33 ALA HA 1.0 0.0 4.21 116 96 A 33 ALA HA A 22 HIS HBx 1.0 0.0 4.71 117 97 A 30 GLN HA A 33 ALA HA 1.0 0.0 5.02 118 98 A 26 ALA HB% A 25 GLU HA 1.0 0.0 4.40 119 99 A 46 ASP HA A 48 HIS HE1 1.0 0.0 5.50 120 100 A 26 ALA HB% A 21 ASN HA 1.0 0.0 4.68 121 101 A 21 ASN HA A 24 GLY H 1.0 0.0 5.26 122 102 A 21 ASN HA A 26 ALA HA 1.0 0.0 3.41 123 103 A 19 VAL HGy% A 21 ASN HA 1.0 0.0 4.59 124 104 A 77 ASP HA A 74 PRO HG2 1.0 0.0 5.50 125 104 A 74 PRO HG3 A 77 ASP HA 1.0 0.0 5.50 126 105 A 68 ALA HA A 69 LEU H 1.0 0.0 3.14 127 106 A 44 ALA H A 43 PRO HDx 1.0 0.0 4.86 128 107 A 19 VAL HA A 26 ALA HA 1.0 0.0 5.49 129 108 A 32 CYS H A 43 PRO HDy 1.0 0.0 5.50 130 109 A 32 CYS H A 43 PRO HDx 1.0 0.0 5.50 131 110 A 19 VAL HGy% A 26 ALA HA 1.0 0.0 3.84 132 111 A 44 ALA H A 43 PRO HDy 1.0 0.0 4.86 133 112 A 8 PRO HDx A 9 ASP H 1.0 0.0 4.82 134 113 A 37 PRO HDy A 34 GLU H 1.0 0.0 5.49 135 114 A 44 ALA HA A 45 PRO HDy 1.0 0.0 3.08 136 115 A 3 LEU H A 16 PRO HDy 1.0 0.0 4.51 137 116 A 16 PRO HDy A 15 ASP HA 1.0 0.0 3.07 138 117 A 15 ASP HA A 16 PRO HDx 1.0 0.0 3.00 139 118 A 15 ASP HBx A 16 PRO HDx 1.0 0.0 5.50 140 119 A 44 ALA HA A 45 PRO HDx 1.0 0.0 3.08 141 120 A 77 ASP HA A 74 PRO HDx 1.0 0.0 3.80 142 121 A 27 TYR HE% A 6 GLY HAx 1.0 0.0 4.56 143 122 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 4.80 144 122 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 4.80 145 123 A 7 CYS HA A 6 GLY HAx 1.0 0.0 5.50 146 124 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 4.80 147 124 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 4.80 148 125 A 50 GLU HA A 39 GLY HAy 1.0 0.0 5.50 149 126 A 39 GLY HAy A 50 GLU HB2 1.0 0.0 4.52 150 126 A 50 GLU HB3 A 39 GLY HAy 1.0 0.0 4.52 151 127 A 55 VAL HGx% A 56 GLY HA2 1.0 0.0 4.05 152 127 A 55 VAL HGy% A 56 GLY HA2 1.0 0.0 4.05 153 127 A 56 GLY HA3 A 55 VAL HGx% 1.0 0.0 4.05 154 127 A 55 VAL HGy% A 56 GLY HA3 1.0 0.0 4.05 155 128 A 18 ARG HBy A 18 ARG HD2 1.0 0.0 3.76 156 128 A 18 ARG HBy A 18 ARG HD3 1.0 0.0 3.76 157 129 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.38 158 129 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.38 159 130 A 18 ARG HD2 A 18 ARG HG2 1.0 0.0 2.95 160 130 A 18 ARG HD3 A 18 ARG HG2 1.0 0.0 2.95 161 130 A 18 ARG HG3 A 18 ARG HD2 1.0 0.0 2.95 162 130 A 18 ARG HG3 A 18 ARG HD3 1.0 0.0 2.95 163 131 A 4 ARG H A 4 ARG HD2 1.0 0.0 5.50 164 131 A 4 ARG H A 4 ARG HD3 1.0 0.0 5.50 165 132 A 5 CYS H A 4 ARG HD2 1.0 0.0 5.50 166 132 A 5 CYS H A 4 ARG HD3 1.0 0.0 5.50 167 133 A 4 ARG HA A 4 ARG HD2 1.0 0.0 4.23 168 133 A 4 ARG HA A 4 ARG HD3 1.0 0.0 4.23 169 134 A 4 ARG HB3 A 4 ARG HD2 1.0 0.0 3.21 170 134 A 4 ARG HD3 A 4 ARG HB2 1.0 0.0 3.21 171 134 A 4 ARG HB3 A 4 ARG HD3 1.0 0.0 3.21 172 134 A 4 ARG HB2 A 4 ARG HD2 1.0 0.0 3.21 173 135 A 28 CYS H A 27 TYR HBx 1.0 0.0 4.29 174 136 A 27 TYR H A 27 TYR HBx 1.0 0.0 3.97 175 137 A 25 GLU HBy A 27 TYR HBx 1.0 0.0 5.50 176 138 A 33 ALA HB% A 27 TYR HBx 1.0 0.0 3.96 177 139 A 28 CYS H A 27 TYR HBy 1.0 0.0 4.15 178 140 A 32 CYS H A 27 TYR HBy 1.0 0.0 5.48 179 141 A 27 TYR H A 27 TYR HBy 1.0 0.0 4.15 180 142 A 29 SER H A 27 TYR HBy 1.0 0.0 3.84 181 143 A 28 CYS HA A 27 TYR HBx 1.0 0.0 5.50 182 144 A 33 ALA HB% A 27 TYR HBy 1.0 0.0 4.09 183 145 A 3 LEU H A 3 LEU HB2 1.0 0.0 3.89 184 145 A 3 LEU HB3 A 3 LEU H 1.0 0.0 3.89 185 146 A 19 VAL HGx% A 3 LEU HB2 1.0 0.0 3.69 186 146 A 3 LEU HB3 A 19 VAL HGx% 1.0 0.0 3.69 187 147 A 69 LEU H A 69 LEU HB2 1.0 0.0 4.07 188 147 A 69 LEU H A 69 LEU HB3 1.0 0.0 4.07 189 148 A 69 LEU HG A 69 LEU HB2 1.0 0.0 2.40 190 148 A 69 LEU HB3 A 69 LEU HG 1.0 0.0 2.40 191 149 A 69 LEU HDx% A 69 LEU HB2 1.0 0.0 4.23 192 149 A 69 LEU HB3 A 69 LEU HDx% 1.0 0.0 4.23 193 150 A 69 LEU HB3 A 69 LEU HDy% 1.0 0.0 4.23 194 150 A 69 LEU HB2 A 69 LEU HDy% 1.0 0.0 4.23 195 151 A 65 LEU HDx% A 65 LEU HB2 1.0 0.0 3.51 196 151 A 65 LEU HB3 A 65 LEU HDx% 1.0 0.0 3.51 197 152 A 15 ASP HBx A 18 ARG HBy 1.0 0.0 4.76 198 153 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.46 199 154 A 16 PRO HDy A 15 ASP HBy 1.0 0.0 4.05 200 155 A 15 ASP HBy A 18 ARG HBx 1.0 0.0 4.20 201 156 A 22 HIS HA A 21 ASN HBx 1.0 0.0 4.62 202 157 A 19 VAL HGx% A 21 ASN HBx 1.0 0.0 5.50 203 158 A 19 VAL HGy% A 21 ASN HBx 1.0 0.0 5.50 204 159 A 21 ASN H A 21 ASN HBy 1.0 0.0 4.07 205 160 A 19 VAL HGy% A 21 ASN HBy 1.0 0.0 5.01 206 161 A 22 HIS HBy A 23 ASP HBx 1.0 0.0 5.50 207 162 A 27 TYR H A 20 PHE HBy 1.0 0.0 5.18 208 163 A 20 PHE HBy A 27 TYR HBx 1.0 0.0 3.60 209 164 A 33 ALA HB% A 20 PHE HBy 1.0 0.0 3.79 210 165 A 21 ASN H A 20 PHE HBx 1.0 0.0 5.13 211 166 A 27 TYR H A 20 PHE HBx 1.0 0.0 5.34 212 167 A 33 ALA HB% A 20 PHE HBx 1.0 0.0 3.96 213 168 A 22 HIS HA A 23 ASP HBx 1.0 0.0 5.34 214 169 A 23 ASP HBy A 25 GLU H 1.0 0.0 4.30 215 170 A 63 ASN HBy A 65 LEU HB2 1.0 0.0 5.50 216 170 A 65 LEU HB3 A 63 ASN HBy 1.0 0.0 5.50 217 171 A 63 ASN HBy A 65 LEU HG 1.0 0.0 5.50 218 172 A 40 GLU HA A 40 GLU HGy 1.0 0.0 4.07 219 173 A 40 GLU HA A 40 GLU HGx 1.0 0.0 4.07 220 174 A 70 GLU HA A 70 GLU HG2 1.0 0.0 4.21 221 174 A 70 GLU HA A 70 GLU HG3 1.0 0.0 4.21 222 175 A 33 ALA H A 34 GLU HGx 1.0 0.0 5.50 223 176 A 68 ALA H A 67 GLU HG2 1.0 0.0 5.41 224 176 A 67 GLU HG3 A 68 ALA H 1.0 0.0 5.41 225 177 A 71 GLU H A 70 GLU HG2 1.0 0.0 5.50 226 177 A 70 GLU HG3 A 71 GLU H 1.0 0.0 5.50 227 178 A 71 GLU H A 71 GLU HG2 1.0 0.0 5.50 228 178 A 71 GLU H A 71 GLU HG3 1.0 0.0 5.50 229 179 A 51 ARG H A 50 GLU HGx 1.0 0.0 4.80 230 180 A 35 GLN HA A 35 GLN HGy 1.0 0.0 3.98 231 181 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.98 232 182 A 54 LYS HA A 55 VAL HB 1.0 0.0 5.05 233 183 A 55 VAL HB A 56 GLY HA2 1.0 0.0 5.36 234 183 A 56 GLY HA3 A 55 VAL HB 1.0 0.0 5.36 235 184 A 19 VAL HGy% A 14 VAL HB 1.0 0.0 4.51 236 185 A 9 ASP H A 10 CYS HBy 1.0 0.0 5.50 237 186 A 11 HIS H A 10 CYS HBy 1.0 0.0 5.50 238 187 A 9 ASP H A 10 CYS HBx 1.0 0.0 5.50 239 188 A 32 CYS HBy A 27 TYR HE% 1.0 0.0 4.02 240 189 A 33 ALA HB% A 22 HIS HBx 1.0 0.0 4.07 241 190 A 22 HIS HBx A 25 GLU H 1.0 0.0 5.50 242 191 A 21 ASN HA A 22 HIS HBx 1.0 0.0 5.50 243 192 A 33 ALA HB% A 22 HIS HBy 1.0 0.0 3.89 244 193 A 10 CYS H A 8 PRO HBy 1.0 0.0 5.50 245 194 A 3 LEU H A 16 PRO HB2 1.0 0.0 5.50 246 194 A 3 LEU H A 16 PRO HB3 1.0 0.0 5.50 247 195 A 3 LEU HDy% A 16 PRO HB2 1.0 0.0 4.71 248 195 A 3 LEU HDy% A 16 PRO HB3 1.0 0.0 4.71 249 196 A 20 PHE HBy A 30 GLN HG2 1.0 0.0 5.50 250 196 A 30 GLN HG3 A 20 PHE HBy 1.0 0.0 5.50 251 197 A 32 CYS HBy A 28 CYS H 1.0 0.0 5.13 252 198 A 27 TYR HD% A 32 CYS HBy 1.0 0.0 3.45 253 199 A 12 CYS HBy A 28 CYS HBx 1.0 0.0 4.11 254 200 A 28 CYS H A 32 CYS HBx 1.0 0.0 4.76 255 201 A 15 ASP HBy A 16 PRO HB2 1.0 0.0 5.14 256 201 A 15 ASP HBy A 16 PRO HB3 1.0 0.0 5.14 257 202 A 42 CYS HBx A 43 PRO HBy 1.0 0.0 5.50 258 203 A 38 ASN HD21 A 37 PRO HBx 1.0 0.0 5.50 259 204 A 43 PRO HBx A 42 CYS HBx 1.0 0.0 5.50 260 205 A 12 CYS HBy A 28 CYS HBy 1.0 0.0 4.11 261 206 A 31 ALA HB% A 42 CYS HBx 1.0 0.0 5.02 262 207 A 12 CYS HBy A 13 LYS HB2 1.0 0.0 5.50 263 207 A 13 LYS HB3 A 12 CYS HBy 1.0 0.0 5.50 264 208 A 14 VAL HGy% A 12 CYS HBy 1.0 0.0 5.30 265 209 A 4 ARG HB2 A 4 ARG HG2 1.0 0.0 2.50 266 209 A 4 ARG HB3 A 4 ARG HG2 1.0 0.0 2.50 267 209 A 4 ARG HG3 A 4 ARG HB2 1.0 0.0 2.50 268 209 A 4 ARG HB3 A 4 ARG HG3 1.0 0.0 2.50 269 210 A 58 ARG HG3 A 58 ARG HBx 1.0 0.0 2.81 270 210 A 58 ARG HBx A 58 ARG HG2 1.0 0.0 2.81 271 211 A 15 ASP HA A 18 ARG HBx 1.0 0.0 5.50 272 212 A 49 CYS HBy A 9 ASP H 1.0 0.0 5.50 273 213 A 47 CYS HBy A 49 CYS H 1.0 0.0 5.50 274 214 A 47 CYS HBy A 44 ALA HA 1.0 0.0 5.43 275 215 A 58 ARG HG3 A 58 ARG HBy 1.0 0.0 2.81 276 215 A 58 ARG HBy A 58 ARG HG2 1.0 0.0 2.81 277 216 A 15 ASP HBx A 18 ARG HBx 1.0 0.0 4.15 278 217 A 49 CYS HBy A 10 CYS H 1.0 0.0 5.50 279 218 A 70 GLU HG3 A 70 GLU HBy 1.0 0.0 2.78 280 218 A 70 GLU HBy A 70 GLU HG2 1.0 0.0 2.78 281 219 A 71 GLU HG3 A 71 GLU HBy 1.0 0.0 2.97 282 219 A 71 GLU HBy A 71 GLU HG2 1.0 0.0 2.97 283 220 A 70 GLU HG3 A 70 GLU HBx 1.0 0.0 2.78 284 220 A 70 GLU HBx A 70 GLU HG2 1.0 0.0 2.78 285 221 A 71 GLU HG3 A 71 GLU HBx 1.0 0.0 2.97 286 221 A 71 GLU HBx A 71 GLU HG2 1.0 0.0 2.97 287 222 A 51 ARG HD3 A 51 ARG HBx 1.0 0.0 3.65 288 222 A 51 ARG HBx A 51 ARG HD2 1.0 0.0 3.65 289 223 A 27 TYR HD% A 7 CYS HBy 1.0 0.0 4.48 290 224 A 11 HIS HBy A 12 CYS H 1.0 0.0 5.50 291 225 A 27 TYR HD% A 7 CYS HBx 1.0 0.0 4.48 292 226 A 51 ARG HD3 A 51 ARG HBy 1.0 0.0 3.65 293 226 A 51 ARG HBy A 51 ARG HD2 1.0 0.0 3.65 294 227 A 27 TYR HE% A 7 CYS HBx 1.0 0.0 4.65 295 228 A 28 CYS H A 5 CYS HBy 1.0 0.0 5.16 296 229 A 5 CYS HBy A 7 CYS H 1.0 0.0 5.50 297 230 A 4 ARG HA A 5 CYS HBy 1.0 0.0 5.50 298 231 A 14 VAL HGx% A 5 CYS HBy 1.0 0.0 5.50 299 232 A 5 CYS HBx A 7 CYS H 1.0 0.0 5.05 300 233 A 27 TYR HA A 5 CYS HBy 1.0 0.0 5.46 301 234 A 27 TYR HA A 5 CYS HBx 1.0 0.0 5.18 302 235 A 14 VAL HGx% A 5 CYS HBx 1.0 0.0 5.00 303 236 A 14 VAL HB A 5 CYS HBx 1.0 0.0 5.31 304 237 A 54 LYS HA A 54 LYS HD2 1.0 0.0 4.42 305 237 A 54 LYS HA A 54 LYS HD3 1.0 0.0 4.42 306 238 A 13 LYS HA A 13 LYS HD2 1.0 0.0 4.83 307 238 A 13 LYS HA A 13 LYS HD3 1.0 0.0 4.83 308 239 A 36 HIS HE1 A 50 GLU HB2 1.0 0.0 5.19 309 239 A 50 GLU HB3 A 36 HIS HE1 1.0 0.0 5.19 310 240 A 39 GLY HAx A 50 GLU HB2 1.0 0.0 5.50 311 240 A 50 GLU HB3 A 39 GLY HAx 1.0 0.0 5.50 312 241 A 36 HIS HBx A 50 GLU HB2 1.0 0.0 5.13 313 241 A 50 GLU HB3 A 36 HIS HBx 1.0 0.0 5.13 314 242 A 20 PHE HE% A 30 GLN HB2 1.0 0.0 4.41 315 242 A 20 PHE HE% A 30 GLN HB3 1.0 0.0 4.41 316 243 A 49 CYS H A 48 HIS HBx 1.0 0.0 5.50 317 243 A 49 CYS H A 48 HIS HBy 1.0 0.0 5.50 318 244 A 4 ARG H A 3 LEU HG 1.0 0.0 4.99 319 245 A 36 HIS HBx A 39 GLY H 1.0 0.0 5.16 320 246 A 35 GLN HA A 36 HIS HBx 1.0 0.0 4.39 321 247 A 50 GLU HA A 36 HIS HBx 1.0 0.0 5.50 322 248 A 36 HIS HBy A 39 GLY HAy 1.0 0.0 4.24 323 249 A 36 HIS HBy A 50 GLU HB2 1.0 0.0 4.43 324 249 A 50 GLU HB3 A 36 HIS HBy 1.0 0.0 4.43 325 250 A 4 ARG H A 4 ARG HG2 1.0 0.0 4.85 326 250 A 4 ARG HG3 A 4 ARG H 1.0 0.0 4.85 327 251 A 5 CYS H A 4 ARG HG2 1.0 0.0 5.06 328 251 A 5 CYS H A 4 ARG HG3 1.0 0.0 5.06 329 252 A 36 HIS H A 35 GLN HBy 1.0 0.0 5.50 330 253 A 36 HIS H A 35 GLN HBx 1.0 0.0 5.50 331 254 A 65 LEU HB3 A 65 LEU HDy% 1.0 0.0 3.51 332 254 A 65 LEU HB2 A 65 LEU HDy% 1.0 0.0 3.51 333 255 A 3 LEU HDy% A 14 VAL HB 1.0 0.0 4.87 334 256 A 3 LEU HDy% A 19 VAL HB 1.0 0.0 5.03 335 257 A 3 LEU HDy% A 4 ARG H 1.0 0.0 4.07 336 258 A 3 LEU HDy% A 3 LEU HA 1.0 0.0 3.75 337 259 A 3 LEU HDy% A 3 LEU HB2 1.0 0.0 3.17 338 259 A 3 LEU HB3 A 3 LEU HDy% 1.0 0.0 3.17 339 260 A 4 ARG H A 3 LEU HDx% 1.0 0.0 4.24 340 261 A 3 LEU HA A 3 LEU HDx% 1.0 0.0 3.35 341 262 A 14 VAL HB A 3 LEU HDx% 1.0 0.0 4.65 342 263 A 19 VAL H A 19 VAL HGy% 1.0 0.0 3.79 343 264 A 19 VAL HGy% A 3 LEU HA 1.0 0.0 5.08 344 265 A 26 ALA HB% A 19 VAL HB 1.0 0.0 4.57 345 266 A 16 PRO HA A 19 VAL HGy% 1.0 0.0 4.35 346 267 A 19 VAL HGy% A 14 VAL HGx% 1.0 0.0 2.71 347 268 A 14 VAL HGx% A 28 CYS HA 1.0 0.0 3.73 348 269 A 14 VAL HGx% A 15 ASP HBx 1.0 0.0 4.67 349 270 A 26 ALA HB% A 19 VAL HGy% 1.0 0.0 2.77 350 271 A 71 GLU H A 72 THR HG2% 1.0 0.0 5.50 351 272 A 14 VAL HGx% A 27 TYR HA 1.0 0.0 4.88 352 273 A 26 ALA HB% A 27 TYR HBx 1.0 0.0 5.43 353 274 A 72 THR HA A 72 THR HG2% 1.0 0.0 3.80 354 275 A 54 LYS HA A 55 VAL HGx% 1.0 0.0 4.44 355 275 A 55 VAL HGy% A 54 LYS HA 1.0 0.0 4.44 356 276 A 19 VAL HGx% A 27 TYR H 1.0 0.0 4.74 357 277 A 19 VAL HGx% A 20 PHE H 1.0 0.0 4.45 358 278 A 19 VAL HGx% A 19 VAL HA 1.0 0.0 3.56 359 279 A 19 VAL HGx% A 26 ALA HB% 1.0 0.0 3.79 360 280 A 14 VAL HGy% A 27 TYR H 1.0 0.0 4.85 361 281 A 27 TYR HA A 14 VAL HGy% 1.0 0.0 4.11 362 282 A 28 CYS HA A 14 VAL HGy% 1.0 0.0 3.83 363 283 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 3.31 364 284 A 5 CYS HA A 14 VAL HGy% 1.0 0.0 3.32 365 285 A 14 VAL HGy% A 5 CYS HBy 1.0 0.0 4.25 366 286 A 14 VAL HGy% A 5 CYS HBx 1.0 0.0 3.55 367 287 A 14 VAL HGy% A 3 LEU HB2 1.0 0.0 3.80 368 287 A 3 LEU HB3 A 14 VAL HGy% 1.0 0.0 3.80 369 288 A 14 VAL HGy% A 20 PHE HBx 1.0 0.0 5.50 370 289 A 26 ALA HB% A 14 VAL HGy% 1.0 0.0 3.70 371 290 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 3.93 372 291 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 3.93 373 292 A 44 ALA HB% A 47 CYS HBx 1.0 0.0 3.39 374 293 A 47 CYS HBy A 44 ALA HB% 1.0 0.0 3.34 375 294 A 44 ALA HB% A 49 CYS H 1.0 0.0 5.50 376 295 A 69 LEU H A 68 ALA HB% 1.0 0.0 4.33 377 296 A 33 ALA HB% A 30 GLN HB2 1.0 0.0 4.56 378 296 A 33 ALA HB% A 30 GLN HB3 1.0 0.0 4.56 379 297 A 30 GLN HA A 33 ALA HB% 1.0 0.0 3.03 380 298 A 33 ALA HB% A 32 CYS HBx 1.0 0.0 4.60 381 299 A 68 ALA H A 68 ALA HB% 1.0 0.0 3.49 382 300 A 31 ALA HB% A 42 CYS HBy 1.0 0.0 4.96 383 301 A 42 CYS HA A 31 ALA HB% 1.0 0.0 3.56 384 302 A 31 ALA HB% A 43 PRO HBy 1.0 0.0 4.34 385 303 A 31 ALA HB% A 32 CYS HBx 1.0 0.0 5.48 386 304 A 60 ILE HA A 60 ILE HG2% 1.0 0.0 3.32 387 305 A 60 ILE HB A 60 ILE HD1% 1.0 0.0 3.81 388 306 A 3 LEU H A 15 ASP H 1.0 0.0 5.02 389 307 A 15 ASP H A 14 VAL H 1.0 0.0 4.79 390 308 A 14 VAL HA A 15 ASP H 1.0 0.0 2.55 391 309 A 15 ASP H A 18 ARG HD2 1.0 0.0 5.50 392 309 A 18 ARG HD3 A 15 ASP H 1.0 0.0 5.50 393 310 A 15 ASP HBx A 15 ASP H 1.0 0.0 2.97 394 311 A 14 VAL HGx% A 15 ASP H 1.0 0.0 3.37 395 312 A 14 VAL HB A 15 ASP H 1.0 0.0 4.17 396 313 A 14 VAL HGy% A 15 ASP H 1.0 0.0 4.10 397 314 A 28 CYS H A 7 CYS H 1.0 0.0 5.17 398 315 A 7 CYS H A 6 GLY H 1.0 0.0 3.35 399 316 A 10 CYS H A 7 CYS H 1.0 0.0 5.46 400 317 A 27 TYR HD% A 7 CYS H 1.0 0.0 3.31 401 318 A 27 TYR HE% A 7 CYS H 1.0 0.0 3.86 402 319 A 27 TYR HA A 7 CYS H 1.0 0.0 4.40 403 320 A 7 CYS H A 7 CYS HBy 1.0 0.0 3.08 404 321 A 7 CYS H A 7 CYS HBx 1.0 0.0 3.08 405 322 A 14 VAL HGy% A 7 CYS H 1.0 0.0 5.50 406 323 A 11 HIS H A 10 CYS HBx 1.0 0.0 5.50 407 324 A 20 PHE H A 27 TYR HBy 1.0 0.0 5.18 408 324 A 20 PHE H A 27 TYR HBx 1.0 0.0 5.18 409 325 A 30 GLN H A 20 PHE H 1.0 0.0 5.50 410 326 A 26 ALA HB% A 20 PHE H 1.0 0.0 5.44 411 327 A 27 TYR H A 20 PHE H 1.0 0.0 3.54 412 328 A 19 VAL H A 20 PHE H 1.0 0.0 5.00 413 329 A 19 VAL HA A 20 PHE H 1.0 0.0 2.63 414 330 A 20 PHE HBy A 20 PHE H 1.0 0.0 3.48 415 331 A 20 PHE HBx A 20 PHE H 1.0 0.0 3.27 416 332 A 19 VAL HB A 20 PHE H 1.0 0.0 4.44 417 333 A 19 VAL HGy% A 20 PHE H 1.0 0.0 3.22 418 334 A 20 PHE H A 29 SER HA 1.0 0.0 5.50 419 335 A 50 GLU H A 50 GLU HGy 1.0 0.0 4.36 420 336 A 50 GLU H A 50 GLU HGx 1.0 0.0 4.36 421 337 A 50 GLU H A 50 GLU HB2 1.0 0.0 3.59 422 337 A 50 GLU H A 50 GLU HB3 1.0 0.0 3.59 423 338 A 44 ALA H A 42 CYS H 1.0 0.0 5.06 424 339 A 42 CYS HA A 44 ALA H 1.0 0.0 5.12 425 340 A 42 CYS HBx A 44 ALA H 1.0 0.0 4.93 426 341 A 44 ALA H A 42 CYS HBy 1.0 0.0 5.50 427 342 A 44 ALA H A 47 CYS HBx 1.0 0.0 5.50 428 343 A 47 CYS HBy A 44 ALA H 1.0 0.0 5.31 429 344 A 44 ALA HB% A 44 ALA H 1.0 0.0 2.70 430 345 A 75 ALA H A 75 ALA HA 1.0 0.0 2.77 431 346 A 75 ALA HB% A 75 ALA H 1.0 0.0 3.35 432 347 A 14 VAL HGy% A 3 LEU H 1.0 0.0 5.50 433 348 A 3 LEU H A 16 PRO HDx 1.0 0.0 5.50 434 349 A 3 LEU H A 2 GLU HA 1.0 0.0 2.81 435 350 A 14 VAL HB A 3 LEU H 1.0 0.0 4.25 436 351 A 19 VAL HGx% A 3 LEU H 1.0 0.0 5.50 437 352 A 29 SER HBy A 30 GLN H 1.0 0.0 4.05 438 353 A 30 GLN H A 30 GLN HB2 1.0 0.0 3.27 439 353 A 30 GLN H A 30 GLN HB3 1.0 0.0 3.27 440 354 A 21 ASN H A 21 ASN HD21 1.0 0.0 4.49 441 355 A 21 ASN H A 20 PHE HD% 1.0 0.0 4.64 442 356 A 21 ASN H A 21 ASN HD22 1.0 0.0 5.22 443 357 A 20 PHE HA A 21 ASN H 1.0 0.0 2.79 444 358 A 21 ASN H A 20 PHE HBy 1.0 0.0 4.15 445 359 A 21 ASN HBx A 21 ASN H 1.0 0.0 3.14 446 360 A 19 VAL HGx% A 21 ASN H 1.0 0.0 4.56 447 361 A 36 HIS H A 33 ALA H 1.0 0.0 5.41 448 362 A 31 ALA H A 33 ALA H 1.0 0.0 4.80 449 363 A 33 ALA H A 34 GLU HGy 1.0 0.0 5.50 450 364 A 19 VAL HA A 21 ASN H 1.0 0.0 5.50 451 365 A 27 TYR HD% A 33 ALA H 1.0 0.0 4.25 452 366 A 29 SER HBy A 33 ALA H 1.0 0.0 5.50 453 367 A 33 ALA H A 22 HIS HBx 1.0 0.0 5.29 454 368 A 33 ALA H A 27 TYR HBy 1.0 0.0 3.86 455 368 A 33 ALA H A 27 TYR HBx 1.0 0.0 3.86 456 369 A 30 GLN HA A 33 ALA H 1.0 0.0 4.17 457 370 A 33 ALA H A 32 CYS HBx 1.0 0.0 3.45 458 371 A 33 ALA HB% A 33 ALA H 1.0 0.0 2.67 459 372 A 69 LEU HG A 68 ALA H 1.0 0.0 5.50 460 373 A 72 THR HG2% A 73 PHE H 1.0 0.0 4.62 461 374 A 72 THR HB A 73 PHE H 1.0 0.0 3.65 462 375 A 72 THR HA A 73 PHE H 1.0 0.0 2.81 463 376 A 4 ARG H A 3 LEU HA 1.0 0.0 2.40 464 377 A 4 ARG H A 19 VAL HB 1.0 0.0 5.50 465 378 A 4 ARG H A 4 ARG HB2 1.0 0.0 2.56 466 378 A 4 ARG HB3 A 4 ARG H 1.0 0.0 2.56 467 379 A 4 ARG H A 3 LEU HB2 1.0 0.0 2.99 468 379 A 3 LEU HB3 A 4 ARG H 1.0 0.0 2.99 469 380 A 63 ASN HA A 65 LEU H 1.0 0.0 3.51 470 381 A 65 LEU H A 65 LEU HA 1.0 0.0 2.93 471 382 A 63 ASN HBy A 65 LEU H 1.0 0.0 5.41 472 383 A 65 LEU H A 64 GLN HG2 1.0 0.0 4.61 473 383 A 64 GLN HG3 A 65 LEU H 1.0 0.0 4.61 474 384 A 65 LEU H A 64 GLN HBy 1.0 0.0 4.18 475 385 A 65 LEU H A 64 GLN HBx 1.0 0.0 4.18 476 386 A 65 LEU H A 65 LEU HB2 1.0 0.0 3.39 477 386 A 65 LEU HB3 A 65 LEU H 1.0 0.0 3.39 478 387 A 5 CYS H A 28 CYS H 1.0 0.0 5.49 479 388 A 14 VAL HGy% A 5 CYS H 1.0 0.0 3.49 480 389 A 27 TYR HA A 5 CYS H 1.0 0.0 5.23 481 390 A 5 CYS H A 5 CYS HBy 1.0 0.0 2.91 482 391 A 5 CYS H A 5 CYS HBx 1.0 0.0 2.86 483 392 A 12 CYS HBy A 12 CYS H 1.0 0.0 3.80 484 393 A 12 CYS H A 12 CYS HBx 1.0 0.0 2.87 485 394 A 12 CYS H A 11 HIS HD2 1.0 0.0 5.50 486 395 A 12 CYS H A 11 HIS HA 1.0 0.0 3.41 487 396 A 12 CYS HA A 13 LYS H 1.0 0.0 2.54 488 397 A 12 CYS HBy A 13 LYS H 1.0 0.0 3.35 489 398 A 12 CYS HBx A 13 LYS H 1.0 0.0 4.07 490 399 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.11 491 399 A 13 LYS HB3 A 13 LYS H 1.0 0.0 3.11 492 400 A 13 LYS H A 13 LYS HGy 1.0 0.0 3.76 493 401 A 13 LYS H A 13 LYS HGx 1.0 0.0 3.76 494 402 A 14 VAL HGy% A 13 LYS H 1.0 0.0 5.26 495 403 A 10 CYS H A 11 HIS H 1.0 0.0 5.09 496 404 A 10 CYS H A 9 ASP HA 1.0 0.0 3.51 497 405 A 10 CYS H A 8 PRO HA 1.0 0.0 4.06 498 406 A 10 CYS H A 10 CYS HBy 1.0 0.0 3.13 499 407 A 10 CYS H A 10 CYS HBx 1.0 0.0 3.13 500 408 A 49 CYS HBx A 10 CYS H 1.0 0.0 4.76 501 409 A 4 ARG HA A 14 VAL H 1.0 0.0 3.55 502 410 A 10 CYS H A 8 PRO HG2 1.0 0.0 5.01 503 410 A 8 PRO HG3 A 10 CYS H 1.0 0.0 5.01 504 411 A 10 CYS H A 8 PRO HBx 1.0 0.0 5.30 505 412 A 44 ALA HA A 47 CYS H 1.0 0.0 5.13 506 413 A 45 PRO HA A 47 CYS H 1.0 0.0 4.65 507 414 A 14 VAL H A 13 LYS H 1.0 0.0 4.00 508 415 A 47 CYS HBx A 47 CYS H 1.0 0.0 3.32 509 416 A 47 CYS HBy A 47 CYS H 1.0 0.0 3.33 510 417 A 44 ALA HB% A 47 CYS H 1.0 0.0 3.60 511 418 A 13 LYS HA A 14 VAL H 1.0 0.0 2.57 512 419 A 14 VAL HB A 14 VAL H 1.0 0.0 2.81 513 420 A 14 VAL H A 3 LEU HB2 1.0 0.0 4.53 514 420 A 3 LEU HB3 A 14 VAL H 1.0 0.0 4.53 515 421 A 14 VAL HGx% A 14 VAL H 1.0 0.0 3.89 516 422 A 14 VAL HGy% A 14 VAL H 1.0 0.0 2.95 517 423 A 71 GLU H A 72 THR H 1.0 0.0 3.61 518 424 A 18 ARG H A 19 VAL HGy% 1.0 0.0 5.42 519 425 A 59 ASP H A 59 ASP HBy 1.0 0.0 3.89 520 426 A 59 ASP H A 59 ASP HBx 1.0 0.0 3.89 521 427 A 59 ASP H A 58 ARG HG2 1.0 0.0 4.69 522 427 A 58 ARG HG3 A 59 ASP H 1.0 0.0 4.69 523 428 A 79 ILE HA A 80 SER H 1.0 0.0 3.19 524 429 A 66 ASP HA A 67 GLU H 1.0 0.0 3.21 525 430 A 67 GLU H A 67 GLU HG2 1.0 0.0 4.29 526 430 A 67 GLU HG3 A 67 GLU H 1.0 0.0 4.29 527 431 A 18 ARG H A 18 ARG HBx 1.0 0.0 2.93 528 432 A 71 GLU H A 70 GLU H 1.0 0.0 3.28 529 433 A 65 LEU HA A 66 ASP H 1.0 0.0 2.66 530 434 A 66 ASP H A 65 LEU HB2 1.0 0.0 3.35 531 434 A 65 LEU HB3 A 66 ASP H 1.0 0.0 3.35 532 435 A 21 ASN H A 22 HIS H 1.0 0.0 5.49 533 436 A 33 ALA HB% A 22 HIS H 1.0 0.0 5.50 534 437 A 50 GLU H A 51 ARG H 1.0 0.0 3.20 535 438 A 51 ARG H A 52 SER HB2 1.0 0.0 5.50 536 438 A 52 SER HB3 A 51 ARG H 1.0 0.0 5.50 537 439 A 51 ARG H A 51 ARG HD2 1.0 0.0 4.13 538 439 A 51 ARG H A 51 ARG HD3 1.0 0.0 4.13 539 440 A 51 ARG H A 50 GLU HGy 1.0 0.0 4.80 540 441 A 51 ARG H A 51 ARG HG2 1.0 0.0 3.03 541 441 A 51 ARG H A 51 ARG HG3 1.0 0.0 3.03 542 442 A 51 ARG H A 50 GLU HB2 1.0 0.0 3.89 543 442 A 50 GLU HB3 A 51 ARG H 1.0 0.0 3.89 544 443 A 27 TYR HD% A 22 HIS H 1.0 0.0 4.78 545 444 A 27 TYR HE% A 22 HIS H 1.0 0.0 4.65 546 445 A 21 ASN HA A 22 HIS H 1.0 0.0 3.46 547 446 A 22 HIS H A 25 GLU HBx 1.0 0.0 5.50 548 447 A 61 THR HG2% A 62 ASN H 1.0 0.0 5.50 549 448 A 79 ILE H A 79 ILE HB 1.0 0.0 3.64 550 449 A 54 LYS HA A 55 VAL H 1.0 0.0 2.92 551 450 A 55 VAL HB A 55 VAL H 1.0 0.0 3.17 552 451 A 21 ASN HBx A 25 GLU H 1.0 0.0 5.50 553 452 A 59 ASP HA A 60 ILE H 1.0 0.0 2.72 554 453 A 60 ILE H A 59 ASP HBy 1.0 0.0 4.04 555 454 A 60 ILE HB A 60 ILE H 1.0 0.0 3.04 556 455 A 60 ILE H A 60 ILE HG1y 1.0 0.0 3.68 557 456 A 60 ILE H A 60 ILE HG1x 1.0 0.0 3.68 558 457 A 60 ILE H A 59 ASP HBx 1.0 0.0 4.04 559 458 A 25 GLU H A 22 HIS H 1.0 0.0 4.42 560 459 A 24 GLY H A 25 GLU H 1.0 0.0 3.28 561 460 A 27 TYR HE% A 25 GLU H 1.0 0.0 4.12 562 461 A 21 ASN HBy A 25 GLU H 1.0 0.0 5.50 563 462 A 25 GLU H A 25 GLU HG2 1.0 0.0 3.90 564 462 A 25 GLU HG3 A 25 GLU H 1.0 0.0 3.90 565 463 A 25 GLU H A 25 GLU HBx 1.0 0.0 2.97 566 464 A 25 GLU HBy A 25 GLU H 1.0 0.0 3.63 567 465 A 21 ASN HA A 25 GLU H 1.0 0.0 4.83 568 466 A 53 GLY H A 54 LYS H 1.0 0.0 5.32 569 467 A 22 HIS HA A 25 GLU H 1.0 0.0 4.40 570 468 A 26 ALA HB% A 25 GLU H 1.0 0.0 5.50 571 469 A 63 ASN HD21 A 64 GLN H 1.0 0.0 5.50 572 470 A 63 ASN HA A 64 GLN H 1.0 0.0 2.53 573 471 A 64 GLN H A 64 GLN HG2 1.0 0.0 4.08 574 471 A 64 GLN HG3 A 64 GLN H 1.0 0.0 4.08 575 472 A 64 GLN H A 64 GLN HBy 1.0 0.0 4.11 576 473 A 64 GLN H A 64 GLN HBx 1.0 0.0 4.11 577 474 A 64 GLN H A 63 ASN HD22 1.0 0.0 5.50 578 475 A 19 VAL H A 18 ARG HA 1.0 0.0 2.82 579 476 A 19 VAL H A 17 GLU HA 1.0 0.0 4.53 580 477 A 19 VAL H A 18 ARG HBy 1.0 0.0 4.62 581 478 A 19 VAL H A 19 VAL HB 1.0 0.0 3.07 582 479 A 19 VAL H A 19 VAL HGx% 1.0 0.0 2.86 583 480 A 58 ARG H A 58 ARG HD2 1.0 0.0 5.50 584 480 A 58 ARG HD3 A 58 ARG H 1.0 0.0 5.50 585 481 A 58 ARG H A 57 GLY HA2 1.0 0.0 3.39 586 481 A 58 ARG H A 57 GLY HA3 1.0 0.0 3.39 587 482 A 58 ARG H A 58 ARG HG2 1.0 0.0 4.15 588 482 A 58 ARG HG3 A 58 ARG H 1.0 0.0 4.15 589 483 A 49 CYS H A 42 CYS H 1.0 0.0 5.24 590 484 A 41 PRO HA A 42 CYS H 1.0 0.0 3.02 591 485 A 42 CYS HBx A 42 CYS H 1.0 0.0 3.86 592 486 A 42 CYS HBy A 42 CYS H 1.0 0.0 3.48 593 487 A 41 PRO HBx A 42 CYS H 1.0 0.0 3.24 594 488 A 44 ALA HB% A 42 CYS H 1.0 0.0 5.44 595 489 A 42 CYS H A 50 GLU HB2 1.0 0.0 5.50 596 489 A 50 GLU HB3 A 42 CYS H 1.0 0.0 5.50 597 490 A 31 ALA HB% A 42 CYS H 1.0 0.0 4.85 598 491 A 64 GLN H A 63 ASN H 1.0 0.0 4.70 599 492 A 62 ASN HA A 63 ASN H 1.0 0.0 3.19 600 493 A 42 CYS HA A 31 ALA H 1.0 0.0 4.84 601 494 A 31 ALA H A 30 GLN H 1.0 0.0 3.71 602 495 A 31 ALA H A 30 GLN HG2 1.0 0.0 4.58 603 495 A 31 ALA H A 30 GLN HG3 1.0 0.0 4.58 604 496 A 31 ALA H A 30 GLN HB2 1.0 0.0 2.92 605 496 A 31 ALA H A 30 GLN HB3 1.0 0.0 2.92 606 497 A 31 ALA HB% A 31 ALA H 1.0 0.0 2.56 607 498 A 31 ALA H A 32 CYS HBx 1.0 0.0 5.50 608 499 A 50 GLU H A 49 CYS H 1.0 0.0 4.49 609 500 A 48 HIS HA A 49 CYS H 1.0 0.0 3.35 610 501 A 47 CYS HA A 49 CYS H 1.0 0.0 5.04 611 502 A 49 CYS HBx A 49 CYS H 1.0 0.0 3.71 612 503 A 49 CYS HBy A 49 CYS H 1.0 0.0 3.28 613 504 A 49 CYS H A 50 GLU HB2 1.0 0.0 4.82 614 504 A 50 GLU HB3 A 49 CYS H 1.0 0.0 4.82 615 505 A 38 ASN HD21 A 38 ASN H 1.0 0.0 5.10 616 506 A 39 GLY HAy A 38 ASN H 1.0 0.0 5.07 617 507 A 36 HIS HBx A 38 ASN H 1.0 0.0 5.39 618 508 A 38 ASN H A 37 PRO HGx 1.0 0.0 4.09 619 509 A 39 GLY HAx A 38 ASN H 1.0 0.0 5.50 620 510 A 38 ASN H A 37 PRO HGy 1.0 0.0 5.41 621 511 A 33 ALA H A 28 CYS H 1.0 0.0 5.34 622 512 A 32 CYS H A 28 CYS H 1.0 0.0 5.19 623 513 A 28 CYS H A 29 SER H 1.0 0.0 3.10 624 514 A 27 TYR HA A 28 CYS H 1.0 0.0 2.70 625 515 A 5 CYS HA A 28 CYS H 1.0 0.0 3.46 626 516 A 28 CYS H A 27 TYR HBy 1.0 0.0 3.16 627 516 A 28 CYS H A 27 TYR HBx 1.0 0.0 3.16 628 517 A 5 CYS HBx A 28 CYS H 1.0 0.0 3.37 629 518 A 14 VAL HGx% A 28 CYS H 1.0 0.0 4.21 630 519 A 14 VAL HGy% A 28 CYS H 1.0 0.0 3.53 631 520 A 59 ASP H A 61 THR H 1.0 0.0 5.50 632 521 A 62 ASN H A 61 THR H 1.0 0.0 4.36 633 522 A 60 ILE HA A 61 THR H 1.0 0.0 2.85 634 523 A 60 ILE HB A 61 THR H 1.0 0.0 4.63 635 524 A 61 THR HG2% A 61 THR H 1.0 0.0 3.81 636 525 A 60 ILE HG2% A 61 THR H 1.0 0.0 4.15 637 526 A 60 ILE H A 61 THR H 1.0 0.0 3.95 638 527 A 27 TYR H A 19 VAL HB 1.0 0.0 4.86 639 528 A 19 VAL HGy% A 27 TYR H 1.0 0.0 3.53 640 529 A 28 CYS H A 27 TYR H 1.0 0.0 4.75 641 530 A 27 TYR HD% A 27 TYR H 1.0 0.0 3.51 642 531 A 27 TYR HE% A 27 TYR H 1.0 0.0 5.50 643 532 A 21 ASN HA A 27 TYR H 1.0 0.0 4.51 644 533 A 26 ALA HA A 27 TYR H 1.0 0.0 2.64 645 534 A 27 TYR H A 27 TYR HBy 1.0 0.0 3.32 646 534 A 27 TYR H A 27 TYR HBx 1.0 0.0 3.32 647 535 A 26 ALA HB% A 27 TYR H 1.0 0.0 3.32 648 536 A 14 VAL HGx% A 27 TYR H 1.0 0.0 5.05 649 537 A 38 ASN HA A 38 ASN HD22 1.0 0.0 4.23 650 538 A 38 ASN H A 38 ASN HD22 1.0 0.0 5.50 651 539 A 72 THR H A 71 GLU HA 1.0 0.0 3.20 652 540 A 72 THR HB A 72 THR H 1.0 0.0 3.79 653 541 A 72 THR H A 71 GLU HG2 1.0 0.0 5.16 654 541 A 71 GLU HG3 A 72 THR H 1.0 0.0 5.16 655 542 A 72 THR HG2% A 72 THR H 1.0 0.0 4.00 656 543 A 52 SER H A 51 ARG HBx 1.0 0.0 5.21 657 544 A 52 SER H A 51 ARG HBy 1.0 0.0 5.21 658 545 A 52 SER H A 51 ARG HG2 1.0 0.0 4.66 659 545 A 52 SER H A 51 ARG HG3 1.0 0.0 4.66 660 546 A 38 ASN HD21 A 38 ASN HA 1.0 0.0 2.87 661 547 A 52 SER H A 51 ARG HA 1.0 0.0 3.02 662 548 A 52 SER H A 52 SER HB2 1.0 0.0 3.18 663 548 A 52 SER HB3 A 52 SER H 1.0 0.0 3.18 664 549 A 38 ASN HD21 A 37 PRO HBy 1.0 0.0 5.50 665 550 A 38 ASN HD21 A 37 PRO HGx 1.0 0.0 5.03 666 551 A 37 PRO HGx A 38 ASN HD22 1.0 0.0 4.92 667 552 A 19 VAL H A 17 GLU H 1.0 0.0 4.50 668 553 A 15 ASP HA A 17 GLU H 1.0 0.0 4.10 669 554 A 16 PRO HDx A 17 GLU H 1.0 0.0 3.37 670 555 A 15 ASP HBx A 17 GLU H 1.0 0.0 3.92 671 556 A 15 ASP HBy A 17 GLU H 1.0 0.0 4.38 672 557 A 17 GLU H A 16 PRO HB2 1.0 0.0 3.60 673 557 A 16 PRO HB3 A 17 GLU H 1.0 0.0 3.60 674 558 A 17 GLU H A 18 ARG HG2 1.0 0.0 4.61 675 558 A 18 ARG HG3 A 17 GLU H 1.0 0.0 4.61 676 559 A 3 LEU HDy% A 17 GLU H 1.0 0.0 4.85 677 560 A 52 SER H A 53 GLY H 1.0 0.0 4.91 678 561 A 51 ARG H A 52 SER H 1.0 0.0 3.53 679 562 A 75 ALA HB% A 76 SER H 1.0 0.0 4.72 680 563 A 10 CYS H A 9 ASP H 1.0 0.0 2.78 681 564 A 7 CYS HA A 9 ASP H 1.0 0.0 4.31 682 565 A 9 ASP H A 9 ASP HBy 1.0 0.0 3.69 683 566 A 9 ASP H A 9 ASP HBx 1.0 0.0 3.69 684 567 A 9 ASP H A 8 PRO HG2 1.0 0.0 3.34 685 567 A 8 PRO HG3 A 9 ASP H 1.0 0.0 3.34 686 568 A 9 ASP H A 8 PRO HBx 1.0 0.0 3.49 687 569 A 76 SER H A 76 SER HB2 1.0 0.0 3.96 688 569 A 76 SER H A 76 SER HB3 1.0 0.0 3.96 689 570 A 25 GLU HBy A 6 GLY H 1.0 0.0 5.50 690 571 A 33 ALA HA A 6 GLY H 1.0 0.0 5.50 691 572 A 28 CYS H A 6 GLY H 1.0 0.0 4.29 692 573 A 5 CYS HA A 6 GLY H 1.0 0.0 2.67 693 574 A 6 GLY H A 25 GLU HG2 1.0 0.0 5.50 694 574 A 25 GLU HG3 A 6 GLY H 1.0 0.0 5.50 695 575 A 14 VAL HGy% A 6 GLY H 1.0 0.0 4.10 696 576 A 27 TYR HA A 6 GLY H 1.0 0.0 3.10 697 577 A 7 CYS HA A 6 GLY H 1.0 0.0 5.50 698 578 A 32 CYS HBy A 6 GLY H 1.0 0.0 5.42 699 579 A 26 ALA HB% A 6 GLY H 1.0 0.0 4.65 700 580 A 44 ALA HA A 46 ASP H 1.0 0.0 3.96 701 581 A 47 CYS H A 46 ASP H 1.0 0.0 3.19 702 582 A 46 ASP H A 45 PRO HDy 1.0 0.0 4.27 703 583 A 46 ASP H A 45 PRO HDx 1.0 0.0 4.27 704 584 A 44 ALA HB% A 46 ASP H 1.0 0.0 3.57 705 585 A 35 GLN H A 36 HIS HD2 1.0 0.0 5.42 706 586 A 35 GLN H A 32 CYS HBx 1.0 0.0 5.50 707 587 A 36 HIS H A 35 GLN H 1.0 0.0 3.03 708 588 A 35 GLN H A 34 GLU H 1.0 0.0 2.88 709 589 A 35 GLN H A 34 GLU HA 1.0 0.0 3.35 710 590 A 35 GLN H A 35 GLN HA 1.0 0.0 2.46 711 591 A 35 GLN H A 35 GLN HGy 1.0 0.0 3.28 712 592 A 35 GLN H A 35 GLN HGx 1.0 0.0 3.28 713 593 A 35 GLN H A 33 ALA HA 1.0 0.0 3.76 714 594 A 35 GLN H A 34 GLU HB2 1.0 0.0 4.09 715 594 A 35 GLN H A 34 GLU HB3 1.0 0.0 4.09 716 595 A 35 GLN H A 33 ALA HB% 1.0 0.0 4.20 717 596 A 55 VAL HB A 56 GLY H 1.0 0.0 4.49 718 597 A 56 GLY H A 55 VAL HGx% 1.0 0.0 5.13 719 598 A 55 VAL HGy% A 56 GLY H 1.0 0.0 5.13 720 599 A 55 VAL H A 56 GLY H 1.0 0.0 5.50 721 600 A 62 ASN HA A 62 ASN HD21 1.0 0.0 2.91 722 601 A 62 ASN HA A 62 ASN HD22 1.0 0.0 3.91 723 602 A 32 CYS H A 33 ALA H 1.0 0.0 2.97 724 603 A 42 CYS HA A 32 CYS H 1.0 0.0 4.41 725 604 A 29 SER HBy A 32 CYS H 1.0 0.0 4.54 726 605 A 32 CYS H A 27 TYR HBy 1.0 0.0 4.40 727 605 A 32 CYS H A 27 TYR HBx 1.0 0.0 4.40 728 606 A 32 CYS H A 30 GLN HA 1.0 0.0 4.78 729 607 A 32 CYS H A 32 CYS HBx 1.0 0.0 3.00 730 608 A 32 CYS H A 33 ALA HA 1.0 0.0 5.45 731 609 A 32 CYS H A 30 GLN HB2 1.0 0.0 5.50 732 609 A 32 CYS H A 30 GLN HB3 1.0 0.0 5.50 733 610 A 31 ALA HB% A 32 CYS H 1.0 0.0 2.96 734 611 A 32 CYS H A 31 ALA H 1.0 0.0 3.35 735 612 A 32 CYS H A 32 CYS HBy 1.0 0.0 3.45 736 613 A 20 PHE HA A 21 ASN HD22 1.0 0.0 5.50 737 614 A 30 GLN HA A 34 GLU H 1.0 0.0 4.16 738 615 A 34 GLU H A 33 ALA H 1.0 0.0 2.91 739 616 A 34 GLU H A 31 ALA HA 1.0 0.0 4.24 740 617 A 34 GLU H A 34 GLU HGy 1.0 0.0 3.06 741 618 A 34 GLU H A 34 GLU HGx 1.0 0.0 3.06 742 619 A 34 GLU H A 34 GLU HB2 1.0 0.0 2.87 743 619 A 34 GLU H A 34 GLU HB3 1.0 0.0 2.87 744 620 A 34 GLU H A 33 ALA HB% 1.0 0.0 2.96 745 621 A 21 ASN HA A 21 ASN HD21 1.0 0.0 4.81 746 622 A 21 ASN HBx A 21 ASN HD21 1.0 0.0 3.55 747 623 A 26 ALA HB% A 21 ASN HD21 1.0 0.0 5.06 748 624 A 19 VAL HGx% A 21 ASN HD21 1.0 0.0 4.23 749 625 A 26 ALA HB% A 21 ASN HD22 1.0 0.0 5.50 750 626 A 19 VAL HGx% A 21 ASN HD22 1.0 0.0 4.00 751 627 A 19 VAL HB A 21 ASN HD21 1.0 0.0 5.50 752 628 A 21 ASN HA A 21 ASN HD22 1.0 0.0 5.18 753 629 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 3.63 754 629 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 3.63 755 630 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 3.63 756 630 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 3.63 757 631 A 52 SER HA A 53 GLY H 1.0 0.0 3.54 758 632 A 36 HIS H A 36 HIS HBx 1.0 0.0 3.68 759 633 A 36 HIS H A 34 GLU H 1.0 0.0 4.02 760 634 A 36 HIS H A 36 HIS HA 1.0 0.0 2.63 761 635 A 36 HIS H A 36 HIS HBy 1.0 0.0 4.18 762 636 A 36 HIS H A 34 GLU HB2 1.0 0.0 4.19 763 636 A 36 HIS H A 34 GLU HB3 1.0 0.0 4.19 764 637 A 31 ALA HB% A 36 HIS H 1.0 0.0 5.09 765 638 A 38 ASN HD21 A 39 GLY H 1.0 0.0 5.21 766 639 A 57 GLY H A 56 GLY HA2 1.0 0.0 3.39 767 639 A 56 GLY HA3 A 57 GLY H 1.0 0.0 3.39 768 640 A 39 GLY H A 38 ASN H 1.0 0.0 3.60 769 641 A 39 GLY H A 37 PRO HA 1.0 0.0 4.80 770 642 A 36 HIS HBy A 39 GLY H 1.0 0.0 3.99 771 643 A 39 GLY H A 37 PRO HGx 1.0 0.0 5.28 772 644 A 39 GLY H A 50 GLU HB2 1.0 0.0 5.50 773 644 A 50 GLU HB3 A 39 GLY H 1.0 0.0 5.50 774 645 A 27 TYR H A 29 SER H 1.0 0.0 5.31 775 646 A 30 GLN H A 29 SER H 1.0 0.0 5.50 776 647 A 33 ALA H A 29 SER H 1.0 0.0 4.05 777 648 A 32 CYS H A 29 SER H 1.0 0.0 3.83 778 649 A 27 TYR HA A 29 SER H 1.0 0.0 4.16 779 650 A 29 SER H A 27 TYR HBy 1.0 0.0 2.66 780 650 A 29 SER H A 27 TYR HBx 1.0 0.0 2.66 781 651 A 29 SER H A 32 CYS HBx 1.0 0.0 3.03 782 652 A 33 ALA HA A 29 SER H 1.0 0.0 5.50 783 653 A 33 ALA HB% A 29 SER H 1.0 0.0 4.68 784 654 A 14 VAL HGy% A 29 SER H 1.0 0.0 5.50 785 655 A 37 PRO HDy A 39 GLY H 1.0 0.0 5.50 786 656 A 24 GLY H A 21 ASN HBy 1.0 0.0 5.50 787 657 A 24 GLY H A 23 ASP HBy 1.0 0.0 4.13 788 658 A 24 GLY H A 23 ASP HBx 1.0 0.0 4.48 789 659 A 24 GLY H A 22 HIS H 1.0 0.0 5.50 790 660 A 22 HIS HA A 24 GLY H 1.0 0.0 3.79 791 661 A 22 HIS HBy A 22 HIS HE1 1.0 0.0 5.01 792 662 A 23 ASP HBx A 22 HIS HE1 1.0 0.0 4.01 793 663 A 11 HIS HA A 11 HIS HE1 1.0 0.0 5.43 794 664 A 27 TYR HD% A 7 CYS HA 1.0 0.0 5.09 795 665 A 27 TYR HD% A 21 ASN HA 1.0 0.0 3.77 796 666 A 27 TYR HD% A 22 HIS HBx 1.0 0.0 3.14 797 667 A 27 TYR HD% A 28 CYS H 1.0 0.0 3.89 798 668 A 27 TYR HD% A 33 ALA HB% 1.0 0.0 3.16 799 669 A 27 TYR HD% A 6 GLY H 1.0 0.0 3.82 800 670 A 27 TYR HD% A 32 CYS HBx 1.0 0.0 3.79 801 671 A 26 ALA HB% A 27 TYR HD% 1.0 0.0 4.88 802 672 A 27 TYR HD% A 27 TYR HA 1.0 0.0 3.40 803 673 A 27 TYR HD% A 33 ALA HA 1.0 0.0 3.42 804 674 A 27 TYR HD% A 26 ALA HA 1.0 0.0 3.75 805 675 A 73 PHE HA A 73 PHE HD% 1.0 0.0 4.38 806 676 A 72 THR HA A 73 PHE HD% 1.0 0.0 4.42 807 677 A 73 PHE H A 73 PHE HD% 1.0 0.0 3.95 808 678 A 20 PHE H A 20 PHE HD% 1.0 0.0 3.64 809 679 A 29 SER HA A 20 PHE HD% 1.0 0.0 4.12 810 680 A 19 VAL HA A 20 PHE HD% 1.0 0.0 4.74 811 681 A 20 PHE HD% A 30 GLN HG2 1.0 0.0 4.12 812 681 A 30 GLN HG3 A 20 PHE HD% 1.0 0.0 4.12 813 682 A 33 ALA HB% A 20 PHE HD% 1.0 0.0 3.82 814 683 A 30 GLN HA A 20 PHE HD% 1.0 0.0 3.63 815 684 A 20 PHE HD% A 30 GLN HB2 1.0 0.0 3.79 816 684 A 30 GLN HB3 A 20 PHE HD% 1.0 0.0 3.79 817 685 A 20 PHE HA A 20 PHE HD% 1.0 0.0 3.80 818 686 A 20 PHE HE% A 29 SER HA 1.0 0.0 4.39 819 687 A 20 PHE HE% A 30 GLN HG2 1.0 0.0 4.10 820 687 A 30 GLN HG3 A 20 PHE HE% 1.0 0.0 4.10 821 688 A 36 HIS HD2 A 50 GLU HA 1.0 0.0 4.25 822 689 A 36 HIS HD2 A 35 GLN HBy 1.0 0.0 4.61 823 690 A 36 HIS H A 36 HIS HD2 1.0 0.0 3.89 824 691 A 36 HIS HD2 A 35 GLN HA 1.0 0.0 3.41 825 692 A 36 HIS HD2 A 36 HIS HBx 1.0 0.0 3.43 826 693 A 47 CYS HA A 48 HIS HD2 1.0 0.0 4.00 827 694 A 47 CYS HBy A 48 HIS HD2 1.0 0.0 5.50 828 695 A 48 HIS HD2 A 46 ASP HA 1.0 0.0 5.08 829 696 A 22 HIS HA A 22 HIS HD2 1.0 0.0 3.67 830 697 A 22 HIS HBx A 22 HIS HD2 1.0 0.0 3.23 831 698 A 23 ASP HBx A 22 HIS HD2 1.0 0.0 5.18 832 699 A 33 ALA HB% A 22 HIS HD2 1.0 0.0 4.87 833 700 A 11 HIS H A 11 HIS HD2 1.0 0.0 4.29 834 701 A 11 HIS HD2 A 11 HIS HBx 1.0 0.0 3.48 835 702 A 11 HIS HD2 A 11 HIS HA 1.0 0.0 4.63 836 703 A 10 CYS HA A 11 HIS HD2 1.0 0.0 4.31 837 704 A 27 TYR HE% A 7 CYS HBy 1.0 0.0 4.65 838 705 A 27 TYR HE% A 6 GLY HAy 1.0 0.0 4.56 839 706 A 27 TYR HE% A 25 GLU HBx 1.0 0.0 3.22 840 707 A 7 CYS HA A 27 TYR HE% 1.0 0.0 3.70 841 708 A 27 TYR HE% A 22 HIS HA 1.0 0.0 4.99 842 709 A 27 TYR HE% A 22 HIS HBx 1.0 0.0 3.70 843 710 A 27 TYR HE% A 22 HIS HBy 1.0 0.0 3.19 844 711 A 27 TYR HE% A 25 GLU HBy 1.0 0.0 3.15 845 712 A 27 TYR HE% A 33 ALA HB% 1.0 0.0 3.99 846 713 A 27 TYR HE% A 6 GLY H 1.0 0.0 4.40 847 714 A 27 TYR HE% A 25 GLU HG2 1.0 0.0 4.02 848 714 A 27 TYR HE% A 25 GLU HG3 1.0 0.0 4.02 849 715 A 2 GLU HA A 2 GLU HGx 1.0 0.0 3.60 850 715 A 2 GLU HA A 2 GLU HGy 1.0 0.0 3.60 851 716 A 2 GLU HBy A 2 GLU HGx 1.0 0.0 2.22 852 716 A 2 GLU HBx A 2 GLU HGx 1.0 0.0 2.22 853 716 A 2 GLU HGy A 2 GLU HBx 1.0 0.0 2.22 854 716 A 2 GLU HGy A 2 GLU HBy 1.0 0.0 2.22 855 717 A 3 LEU H A 2 GLU HBx 1.0 0.0 3.76 856 717 A 3 LEU H A 2 GLU HBy 1.0 0.0 3.76 857 718 A 3 LEU H A 2 GLU HGx 1.0 0.0 4.39 858 718 A 3 LEU H A 2 GLU HGy 1.0 0.0 4.39 859 719 A 3 LEU HDy% A 2 GLU HGx 1.0 0.0 5.34 860 719 A 3 LEU HDy% A 2 GLU HGy 1.0 0.0 5.34 861 720 A 3 LEU H A 16 PRO HGx 1.0 0.0 5.35 862 720 A 3 LEU H A 16 PRO HGy 1.0 0.0 5.35 863 721 A 3 LEU HDy% A 16 PRO HGx 1.0 0.0 4.68 864 721 A 3 LEU HDy% A 16 PRO HGy 1.0 0.0 4.68 865 722 A 6 GLY H A 6 GLY HAy 1.0 0.0 2.55 866 722 A 6 GLY H A 6 GLY HAx 1.0 0.0 2.55 867 723 A 6 GLY H A 7 CYS HBx 1.0 0.0 4.91 868 723 A 6 GLY H A 7 CYS HBy 1.0 0.0 4.91 869 724 A 7 CYS HA A 6 GLY HAy 1.0 0.0 4.76 870 724 A 7 CYS HA A 6 GLY HAx 1.0 0.0 4.76 871 725 A 6 GLY HAy A 25 GLU HG2 1.0 0.0 4.05 872 725 A 6 GLY HAx A 25 GLU HG2 1.0 0.0 4.05 873 725 A 25 GLU HG3 A 6 GLY HAy 1.0 0.0 4.05 874 725 A 25 GLU HG3 A 6 GLY HAx 1.0 0.0 4.05 875 726 A 26 ALA HB% A 6 GLY HAy 1.0 0.0 5.34 876 726 A 26 ALA HB% A 6 GLY HAx 1.0 0.0 5.34 877 727 A 27 TYR HA A 6 GLY HAy 1.0 0.0 5.18 878 727 A 27 TYR HA A 6 GLY HAx 1.0 0.0 5.18 879 728 A 27 TYR HD% A 6 GLY HAy 1.0 0.0 5.34 880 728 A 27 TYR HD% A 6 GLY HAx 1.0 0.0 5.34 881 729 A 27 TYR HE% A 6 GLY HAy 1.0 0.0 3.99 882 729 A 27 TYR HE% A 6 GLY HAx 1.0 0.0 3.99 883 730 A 7 CYS H A 7 CYS HBx 1.0 0.0 2.68 884 730 A 7 CYS H A 7 CYS HBy 1.0 0.0 2.68 885 731 A 7 CYS H A 10 CYS HBx 1.0 0.0 4.98 886 731 A 7 CYS H A 10 CYS HBy 1.0 0.0 4.98 887 732 A 8 PRO HDx A 7 CYS HBx 1.0 0.0 4.53 888 732 A 8 PRO HDx A 7 CYS HBy 1.0 0.0 4.53 889 733 A 10 CYS H A 7 CYS HBx 1.0 0.0 4.40 890 733 A 10 CYS H A 7 CYS HBy 1.0 0.0 4.40 891 734 A 7 CYS HBy A 10 CYS HBx 1.0 0.0 3.69 892 734 A 7 CYS HBx A 10 CYS HBx 1.0 0.0 3.69 893 734 A 10 CYS HBy A 7 CYS HBx 1.0 0.0 3.69 894 734 A 7 CYS HBy A 10 CYS HBy 1.0 0.0 3.69 895 735 A 27 TYR HD% A 7 CYS HBx 1.0 0.0 3.71 896 735 A 27 TYR HD% A 7 CYS HBy 1.0 0.0 3.71 897 736 A 32 CYS HBx A 7 CYS HBx 1.0 0.0 5.29 898 736 A 32 CYS HBx A 7 CYS HBy 1.0 0.0 5.29 899 737 A 9 ASP H A 9 ASP HBy 1.0 0.0 2.86 900 737 A 9 ASP H A 9 ASP HBx 1.0 0.0 2.86 901 738 A 10 CYS H A 9 ASP HBy 1.0 0.0 3.72 902 738 A 10 CYS H A 9 ASP HBx 1.0 0.0 3.72 903 739 A 49 CYS HA A 9 ASP HBy 1.0 0.0 3.90 904 739 A 49 CYS HA A 9 ASP HBx 1.0 0.0 3.90 905 740 A 49 CYS HBx A 9 ASP HBy 1.0 0.0 3.93 906 740 A 49 CYS HBx A 9 ASP HBx 1.0 0.0 3.93 907 741 A 52 SER H A 9 ASP HBy 1.0 0.0 5.34 908 741 A 52 SER H A 9 ASP HBx 1.0 0.0 5.34 909 742 A 9 ASP HBy A 52 SER HB2 1.0 0.0 5.34 910 742 A 9 ASP HBx A 52 SER HB2 1.0 0.0 5.34 911 742 A 52 SER HB3 A 9 ASP HBy 1.0 0.0 5.34 912 742 A 52 SER HB3 A 9 ASP HBx 1.0 0.0 5.34 913 743 A 10 CYS H A 10 CYS HBx 1.0 0.0 2.69 914 743 A 10 CYS H A 10 CYS HBy 1.0 0.0 2.69 915 744 A 49 CYS HBx A 10 CYS HBx 1.0 0.0 4.81 916 744 A 49 CYS HBx A 10 CYS HBy 1.0 0.0 4.81 917 745 A 12 CYS HBy A 28 CYS HBx 1.0 0.0 3.58 918 745 A 12 CYS HBy A 28 CYS HBy 1.0 0.0 3.58 919 746 A 14 VAL HGx% A 28 CYS HBx 1.0 0.0 4.65 920 746 A 14 VAL HGx% A 28 CYS HBy 1.0 0.0 4.65 921 747 A 14 VAL HGy% A 28 CYS HBx 1.0 0.0 3.76 922 747 A 14 VAL HGy% A 28 CYS HBy 1.0 0.0 3.76 923 748 A 15 ASP HA A 16 PRO HGx 1.0 0.0 4.55 924 748 A 15 ASP HA A 16 PRO HGy 1.0 0.0 4.55 925 749 A 17 GLU H A 16 PRO HGx 1.0 0.0 5.03 926 749 A 17 GLU H A 16 PRO HGy 1.0 0.0 5.03 927 750 A 17 GLU H A 17 GLU HBx 1.0 0.0 2.71 928 750 A 17 GLU H A 17 GLU HBy 1.0 0.0 2.71 929 751 A 27 TYR HA A 28 CYS HBx 1.0 0.0 5.24 930 751 A 27 TYR HA A 28 CYS HBy 1.0 0.0 5.24 931 752 A 28 CYS H A 28 CYS HBx 1.0 0.0 3.32 932 752 A 28 CYS H A 28 CYS HBy 1.0 0.0 3.32 933 753 A 29 SER HBy A 43 PRO HGx 1.0 0.0 4.88 934 753 A 29 SER HBy A 43 PRO HGy 1.0 0.0 4.88 935 754 A 30 GLN HA A 30 GLN HE21 1.0 0.0 5.08 936 754 A 30 GLN HA A 30 GLN HE22 1.0 0.0 5.08 937 755 A 30 GLN HA A 34 GLU HGx 1.0 0.0 4.87 938 755 A 30 GLN HA A 34 GLU HGy 1.0 0.0 4.87 939 756 A 30 GLN HB3 A 30 GLN HE22 1.0 0.0 4.37 940 756 A 30 GLN HE22 A 30 GLN HB2 1.0 0.0 4.37 941 756 A 30 GLN HE21 A 30 GLN HB2 1.0 0.0 4.37 942 756 A 30 GLN HB3 A 30 GLN HE21 1.0 0.0 4.37 943 757 A 30 GLN HG3 A 30 GLN HE21 1.0 0.0 2.91 944 757 A 30 GLN HE21 A 30 GLN HG2 1.0 0.0 2.91 945 757 A 30 GLN HG3 A 30 GLN HE22 1.0 0.0 2.91 946 757 A 30 GLN HE22 A 30 GLN HG2 1.0 0.0 2.91 947 758 A 31 ALA HB% A 43 PRO HGx 1.0 0.0 4.07 948 758 A 31 ALA HB% A 43 PRO HGy 1.0 0.0 4.07 949 759 A 32 CYS H A 43 PRO HDy 1.0 0.0 4.71 950 759 A 32 CYS H A 43 PRO HDx 1.0 0.0 4.71 951 760 A 33 ALA HA A 35 GLN HGy 1.0 0.0 4.79 952 760 A 33 ALA HA A 35 GLN HGx 1.0 0.0 4.79 953 761 A 33 ALA HB% A 34 GLU HGx 1.0 0.0 4.10 954 761 A 33 ALA HB% A 34 GLU HGy 1.0 0.0 4.10 955 762 A 34 GLU HA A 34 GLU HGx 1.0 0.0 3.03 956 762 A 34 GLU HA A 34 GLU HGy 1.0 0.0 3.03 957 763 A 34 GLU HA A 35 GLN HGy 1.0 0.0 5.34 958 763 A 34 GLU HA A 35 GLN HGx 1.0 0.0 5.34 959 764 A 35 GLN H A 34 GLU HGx 1.0 0.0 5.34 960 764 A 35 GLN H A 34 GLU HGy 1.0 0.0 5.34 961 765 A 35 GLN H A 35 GLN HGy 1.0 0.0 2.83 962 765 A 35 GLN H A 35 GLN HGx 1.0 0.0 2.83 963 766 A 35 GLN HA A 35 GLN HGy 1.0 0.0 3.48 964 766 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.48 965 767 A 35 GLN HE22 A 35 GLN HGy 1.0 0.0 3.20 966 767 A 35 GLN HE21 A 35 GLN HGy 1.0 0.0 3.20 967 767 A 35 GLN HGx A 35 GLN HE22 1.0 0.0 3.20 968 767 A 35 GLN HGx A 35 GLN HE21 1.0 0.0 3.20 969 768 A 38 ASN H A 37 PRO HBy 1.0 0.0 3.99 970 768 A 38 ASN H A 37 PRO HBx 1.0 0.0 3.99 971 769 A 38 ASN HD22 A 37 PRO HBy 1.0 0.0 4.67 972 769 A 38 ASN HD22 A 37 PRO HBx 1.0 0.0 4.67 973 770 A 40 GLU HA A 40 GLU HGx 1.0 0.0 3.52 974 770 A 40 GLU HA A 40 GLU HGy 1.0 0.0 3.52 975 771 A 40 GLU HGy A 41 PRO HDx 1.0 0.0 5.18 976 771 A 40 GLU HGx A 41 PRO HDx 1.0 0.0 5.18 977 771 A 41 PRO HDy A 40 GLU HGx 1.0 0.0 5.18 978 771 A 40 GLU HGy A 41 PRO HDy 1.0 0.0 5.18 979 772 A 42 CYS H A 41 PRO HGx 1.0 0.0 5.03 980 772 A 42 CYS H A 41 PRO HGy 1.0 0.0 5.03 981 773 A 42 CYS H A 41 PRO HDx 1.0 0.0 4.96 982 773 A 42 CYS H A 41 PRO HDy 1.0 0.0 4.96 983 774 A 42 CYS HA A 43 PRO HGx 1.0 0.0 4.48 984 774 A 42 CYS HA A 43 PRO HGy 1.0 0.0 4.48 985 775 A 42 CYS HBx A 43 PRO HGx 1.0 0.0 5.35 986 775 A 42 CYS HBx A 43 PRO HGy 1.0 0.0 5.35 987 776 A 44 ALA H A 43 PRO HDy 1.0 0.0 4.22 988 776 A 44 ALA H A 43 PRO HDx 1.0 0.0 4.22 989 777 A 44 ALA H A 45 PRO HDy 1.0 0.0 4.28 990 777 A 44 ALA H A 45 PRO HDx 1.0 0.0 4.28 991 778 A 44 ALA HB% A 45 PRO HDy 1.0 0.0 3.45 992 778 A 44 ALA HB% A 45 PRO HDx 1.0 0.0 3.45 993 779 A 44 ALA HB% A 46 ASP HBx 1.0 0.0 5.24 994 779 A 44 ALA HB% A 46 ASP HBy 1.0 0.0 5.24 995 780 A 46 ASP H A 45 PRO HBx 1.0 0.0 4.04 996 780 A 46 ASP H A 45 PRO HBy 1.0 0.0 4.04 997 781 A 46 ASP H A 45 PRO HGx 1.0 0.0 3.39 998 781 A 46 ASP H A 45 PRO HGy 1.0 0.0 3.39 999 782 A 45 PRO HGx A 46 ASP HBx 1.0 0.0 5.18 1000 782 A 45 PRO HGy A 46 ASP HBx 1.0 0.0 5.18 1001 782 A 46 ASP HBy A 45 PRO HGx 1.0 0.0 5.18 1002 782 A 46 ASP HBy A 45 PRO HGy 1.0 0.0 5.18 1003 783 A 46 ASP H A 45 PRO HDy 1.0 0.0 3.55 1004 783 A 46 ASP H A 45 PRO HDx 1.0 0.0 3.55 1005 784 A 45 PRO HDy A 46 ASP HBx 1.0 0.0 5.18 1006 784 A 45 PRO HDx A 46 ASP HBx 1.0 0.0 5.18 1007 784 A 46 ASP HBy A 45 PRO HDy 1.0 0.0 5.18 1008 784 A 45 PRO HDx A 46 ASP HBy 1.0 0.0 5.18 1009 785 A 47 CYS H A 45 PRO HDy 1.0 0.0 5.35 1010 785 A 47 CYS H A 45 PRO HDx 1.0 0.0 5.35 1011 786 A 46 ASP H A 46 ASP HBx 1.0 0.0 2.96 1012 786 A 46 ASP H A 46 ASP HBy 1.0 0.0 2.96 1013 787 A 48 HIS HD2 A 48 HIS HBx 1.0 0.0 2.98 1014 787 A 48 HIS HD2 A 48 HIS HBy 1.0 0.0 2.98 1015 788 A 48 HIS HE1 A 48 HIS HBx 1.0 0.0 4.45 1016 788 A 48 HIS HE1 A 48 HIS HBy 1.0 0.0 4.45 1017 789 A 49 CYS H A 50 GLU HGy 1.0 0.0 4.96 1018 789 A 49 CYS H A 50 GLU HGx 1.0 0.0 4.96 1019 790 A 49 CYS HBx A 50 GLU HGy 1.0 0.0 5.27 1020 790 A 49 CYS HBx A 50 GLU HGx 1.0 0.0 5.27 1021 791 A 51 ARG H A 50 GLU HGy 1.0 0.0 3.98 1022 791 A 51 ARG H A 50 GLU HGx 1.0 0.0 3.98 1023 792 A 52 SER H A 50 GLU HGy 1.0 0.0 5.34 1024 792 A 52 SER H A 50 GLU HGx 1.0 0.0 5.34 1025 793 A 51 ARG H A 51 ARG HBy 1.0 0.0 2.76 1026 793 A 51 ARG H A 51 ARG HBx 1.0 0.0 2.76 1027 794 A 52 SER H A 51 ARG HBy 1.0 0.0 4.44 1028 794 A 52 SER H A 51 ARG HBx 1.0 0.0 4.44 1029 795 A 51 ARG HBy A 52 SER HB2 1.0 0.0 5.34 1030 795 A 51 ARG HBx A 52 SER HB2 1.0 0.0 5.34 1031 795 A 52 SER HB3 A 51 ARG HBy 1.0 0.0 5.34 1032 795 A 52 SER HB3 A 51 ARG HBx 1.0 0.0 5.34 1033 796 A 52 SER HA A 53 GLY HAy 1.0 0.0 4.67 1034 796 A 52 SER HA A 53 GLY HAx 1.0 0.0 4.67 1035 797 A 54 LYS HA A 53 GLY HAy 1.0 0.0 3.96 1036 797 A 54 LYS HA A 53 GLY HAx 1.0 0.0 3.96 1037 798 A 53 GLY HAx A 54 LYS HBx 1.0 0.0 5.18 1038 798 A 54 LYS HBy A 53 GLY HAy 1.0 0.0 5.18 1039 798 A 53 GLY HAx A 54 LYS HBy 1.0 0.0 5.18 1040 798 A 53 GLY HAy A 54 LYS HBx 1.0 0.0 5.18 1041 799 A 53 GLY HAx A 54 LYS HD2 1.0 0.0 5.34 1042 799 A 53 GLY HAy A 54 LYS HD2 1.0 0.0 5.34 1043 799 A 54 LYS HD3 A 53 GLY HAy 1.0 0.0 5.34 1044 799 A 54 LYS HD3 A 53 GLY HAx 1.0 0.0 5.34 1045 800 A 54 LYS H A 54 LYS HBx 1.0 0.0 3.44 1046 800 A 54 LYS H A 54 LYS HBy 1.0 0.0 3.44 1047 801 A 54 LYS H A 54 LYS HGx 1.0 0.0 3.84 1048 801 A 54 LYS H A 54 LYS HGy 1.0 0.0 3.84 1049 802 A 54 LYS H A 55 VAL HGx% 1.0 0.0 5.38 1050 802 A 55 VAL HGy% A 54 LYS H 1.0 0.0 5.38 1051 803 A 54 LYS HA A 54 LYS HGx 1.0 0.0 3.48 1052 803 A 54 LYS HA A 54 LYS HGy 1.0 0.0 3.48 1053 804 A 55 VAL H A 55 VAL HGx% 1.0 0.0 3.07 1054 804 A 55 VAL HGy% A 55 VAL H 1.0 0.0 3.07 1055 805 A 56 GLY H A 55 VAL HGx% 1.0 0.0 4.36 1056 805 A 55 VAL HGy% A 56 GLY H 1.0 0.0 4.36 1057 806 A 57 GLY H A 55 VAL HGx% 1.0 0.0 5.44 1058 806 A 55 VAL HGy% A 57 GLY H 1.0 0.0 5.44 1059 807 A 58 ARG H A 58 ARG HBy 1.0 0.0 3.53 1060 807 A 58 ARG H A 58 ARG HBx 1.0 0.0 3.53 1061 808 A 58 ARG HBy A 58 ARG HG2 1.0 0.0 2.42 1062 808 A 58 ARG HG3 A 58 ARG HBy 1.0 0.0 2.42 1063 808 A 58 ARG HG3 A 58 ARG HBx 1.0 0.0 2.42 1064 808 A 58 ARG HBx A 58 ARG HG2 1.0 0.0 2.42 1065 809 A 58 ARG HBx A 58 ARG HD2 1.0 0.0 3.41 1066 809 A 58 ARG HBy A 58 ARG HD2 1.0 0.0 3.41 1067 809 A 58 ARG HD3 A 58 ARG HBy 1.0 0.0 3.41 1068 809 A 58 ARG HD3 A 58 ARG HBx 1.0 0.0 3.41 1069 810 A 58 ARG HG2 A 59 ASP HBy 1.0 0.0 5.34 1070 810 A 58 ARG HG3 A 59 ASP HBy 1.0 0.0 5.34 1071 810 A 59 ASP HBx A 58 ARG HG2 1.0 0.0 5.34 1072 810 A 58 ARG HG3 A 59 ASP HBx 1.0 0.0 5.34 1073 811 A 59 ASP H A 59 ASP HBy 1.0 0.0 3.36 1074 811 A 59 ASP H A 59 ASP HBx 1.0 0.0 3.36 1075 812 A 61 THR H A 59 ASP HBy 1.0 0.0 4.03 1076 812 A 61 THR H A 59 ASP HBx 1.0 0.0 4.03 1077 813 A 61 THR HA A 59 ASP HBy 1.0 0.0 5.34 1078 813 A 61 THR HA A 59 ASP HBx 1.0 0.0 5.34 1079 814 A 61 THR HG2% A 59 ASP HBy 1.0 0.0 5.34 1080 814 A 61 THR HG2% A 59 ASP HBx 1.0 0.0 5.34 1081 815 A 60 ILE H A 60 ILE HG1y 1.0 0.0 3.11 1082 815 A 60 ILE H A 60 ILE HG1x 1.0 0.0 3.11 1083 816 A 63 ASN HA A 63 ASN HD21 1.0 0.0 2.84 1084 816 A 63 ASN HA A 63 ASN HD22 1.0 0.0 2.84 1085 817 A 63 ASN HBy A 63 ASN HD21 1.0 0.0 3.54 1086 817 A 63 ASN HBy A 63 ASN HD22 1.0 0.0 3.54 1087 818 A 64 GLN HG3 A 63 ASN HD21 1.0 0.0 5.34 1088 818 A 63 ASN HD22 A 64 GLN HG2 1.0 0.0 5.34 1089 818 A 64 GLN HG3 A 63 ASN HD22 1.0 0.0 5.34 1090 818 A 63 ASN HD21 A 64 GLN HG2 1.0 0.0 5.34 1091 819 A 65 LEU HG A 63 ASN HD21 1.0 0.0 5.34 1092 819 A 65 LEU HG A 63 ASN HD22 1.0 0.0 5.34 1093 820 A 63 ASN HD22 A 65 LEU HDy% 1.0 0.0 4.47 1094 820 A 63 ASN HD21 A 65 LEU HDx% 1.0 0.0 4.47 1095 820 A 63 ASN HD22 A 65 LEU HDx% 1.0 0.0 4.47 1096 820 A 63 ASN HD21 A 65 LEU HDy% 1.0 0.0 4.47 1097 821 A 64 GLN H A 64 GLN HBy 1.0 0.0 3.38 1098 821 A 64 GLN H A 64 GLN HBx 1.0 0.0 3.38 1099 822 A 64 GLN H A 64 GLN HE22 1.0 0.0 5.34 1100 822 A 64 GLN H A 64 GLN HE21 1.0 0.0 5.34 1101 823 A 64 GLN HA A 65 LEU HDy% 1.0 0.0 4.59 1102 823 A 64 GLN HA A 65 LEU HDx% 1.0 0.0 4.59 1103 824 A 64 GLN HE22 A 65 LEU HDy% 1.0 0.0 5.27 1104 824 A 64 GLN HE21 A 65 LEU HDy% 1.0 0.0 5.27 1105 824 A 65 LEU HDx% A 64 GLN HE22 1.0 0.0 5.27 1106 824 A 65 LEU HDx% A 64 GLN HE21 1.0 0.0 5.27 1107 825 A 65 LEU H A 65 LEU HDy% 1.0 0.0 4.26 1108 825 A 65 LEU H A 65 LEU HDx% 1.0 0.0 4.26 1109 826 A 65 LEU HA A 65 LEU HDy% 1.0 0.0 3.21 1110 826 A 65 LEU HA A 65 LEU HDx% 1.0 0.0 3.21 1111 827 A 65 LEU HB3 A 66 ASP HBx 1.0 0.0 5.34 1112 827 A 66 ASP HBy A 65 LEU HB2 1.0 0.0 5.34 1113 827 A 65 LEU HB3 A 66 ASP HBy 1.0 0.0 5.34 1114 827 A 65 LEU HB2 A 66 ASP HBx 1.0 0.0 5.34 1115 828 A 66 ASP H A 65 LEU HDy% 1.0 0.0 4.09 1116 828 A 66 ASP H A 65 LEU HDx% 1.0 0.0 4.09 1117 829 A 66 ASP H A 66 ASP HBx 1.0 0.0 3.62 1118 829 A 66 ASP H A 66 ASP HBy 1.0 0.0 3.62 1119 830 A 67 GLU H A 66 ASP HBx 1.0 0.0 4.22 1120 830 A 67 GLU H A 66 ASP HBy 1.0 0.0 4.22 1121 831 A 67 GLU H A 67 GLU HBx 1.0 0.0 3.10 1122 831 A 67 GLU H A 67 GLU HBy 1.0 0.0 3.10 1123 832 A 68 ALA H A 69 LEU HDy% 1.0 0.0 5.44 1124 832 A 68 ALA H A 69 LEU HDx% 1.0 0.0 5.44 1125 833 A 70 GLU HBx A 70 GLU HG2 1.0 0.0 2.41 1126 833 A 70 GLU HBy A 70 GLU HG2 1.0 0.0 2.41 1127 833 A 70 GLU HG3 A 70 GLU HBy 1.0 0.0 2.41 1128 833 A 70 GLU HG3 A 70 GLU HBx 1.0 0.0 2.41 1129 834 A 71 GLU H A 71 GLU HBy 1.0 0.0 3.36 1130 834 A 71 GLU H A 71 GLU HBx 1.0 0.0 3.36 1131 835 A 72 THR H A 71 GLU HBy 1.0 0.0 4.09 1132 835 A 72 THR H A 71 GLU HBx 1.0 0.0 4.09 1133 836 A 75 ALA H A 74 PRO HBx 1.0 0.0 3.93 1134 836 A 75 ALA H A 74 PRO HBy 1.0 0.0 3.93 1135 837 A 77 ASP HA A 74 PRO HBx 1.0 0.0 5.34 1136 837 A 77 ASP HA A 74 PRO HBy 1.0 0.0 5.34 1137 838 A 74 PRO HG3 A 77 ASP HBx 1.0 0.0 5.34 1138 838 A 74 PRO HG2 A 77 ASP HBx 1.0 0.0 5.34 1139 838 A 77 ASP HBy A 74 PRO HG2 1.0 0.0 5.34 1140 838 A 74 PRO HG3 A 77 ASP HBy 1.0 0.0 5.34 1141 839 A 74 PRO HDx A 77 ASP HBx 1.0 0.0 4.66 1142 839 A 74 PRO HDx A 77 ASP HBy 1.0 0.0 4.66 1143 840 A 74 PRO HDy A 77 ASP HBx 1.0 0.0 5.34 1144 840 A 77 ASP HBy A 74 PRO HDy 1.0 0.0 5.34 1145 841 A 77 ASP H A 77 ASP HBx 1.0 0.0 3.37 1146 841 A 77 ASP HBy A 77 ASP H 1.0 0.0 3.37 1147 842 A 78 PRO HA A 79 ILE HG1x 1.0 0.0 5.34 1148 842 A 78 PRO HA A 79 ILE HG1y 1.0 0.0 5.34 1149 843 A 79 ILE H A 79 ILE HG1x 1.0 0.0 5.34 1150 843 A 79 ILE H A 79 ILE HG1y 1.0 0.0 5.34 1151 844 A 79 ILE HA A 80 SER HBx 1.0 0.0 4.34 1152 844 A 79 ILE HA A 80 SER HBy 1.0 0.0 4.34 1153 845 A 79 ILE HG2% A 79 ILE HG1x 1.0 0.0 3.16 1154 845 A 79 ILE HG1y A 79 ILE HG2% 1.0 0.0 3.16 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 ASN C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -102.7 -49.3 PHI 2 2 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 LEU N 1.0 113.7 162.1 PSI 3 3 A 2 GLU C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -104.9 -62.9 PHI 4 4 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 ARG N 1.0 107.5 147.5 PSI 5 5 A 3 LEU C A 4 ARG N A 4 ARG CA A 4 ARG C 1.0 -138.0 -56.2 PHI 6 6 A 4 ARG N A 4 ARG CA A 4 ARG C A 5 CYS N 1.0 116.4 165.8 PSI 7 7 A 4 ARG C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -83.8 -43.8 PHI 8 8 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 GLY N 1.0 118.4 158.4 PSI 9 9 A 6 GLY C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -122.1 -41.1 PHI 10 10 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 PRO N 1.0 88.5 177.9 PSI 11 11 A 9 ASP C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -149.6 -42.2 PHI 12 12 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 HIS N 1.0 122.1 164.3 PSI 13 13 A 10 CYS C A 11 HIS N A 11 HIS CA A 11 HIS C 1.0 -117.7 -61.5 PHI 14 14 A 11 HIS N A 11 HIS CA A 11 HIS C A 12 CYS N 1.0 92.0 152.4 PSI 15 15 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -117.6 -60.8 PHI 16 16 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 107.0 157.4 PSI 17 17 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -111.3 -42.5 PHI 18 18 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 100.4 147.4 PSI 19 19 A 16 PRO C A 17 GLU N A 17 GLU CA A 17 GLU C 1.0 -104.2 -64.2 PHI 20 20 A 17 GLU N A 17 GLU CA A 17 GLU C A 18 ARG N 1.0 -27.2 13.2 PSI 21 21 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -126.6 -58.8 PHI 22 22 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 PHE N 1.0 108.7 148.7 PSI 23 23 A 19 VAL C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -122.9 -72.1 PHI 24 24 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 ASN N 1.0 106.5 146.5 PSI 25 25 A 20 PHE C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -143.6 -77.8 PHI 26 26 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 HIS N 1.0 106.6 154.0 PSI 27 27 A 21 ASN C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -164.6 -123.8 PHI 28 28 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 ASP N 1.0 106.7 146.7 PSI 29 29 A 22 HIS C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 32.5 72.5 PHI 30 30 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 GLY N 1.0 23.4 63.4 PSI 31 31 A 23 ASP C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 59.3 99.3 PHI 32 32 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 GLU N 1.0 -14.2 25.8 PSI 33 33 A 24 GLY C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -134.8 -94.8 PHI 34 34 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 121.7 166.1 PSI 35 35 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -128.8 -72.6 PHI 36 36 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 TYR N 1.0 112.9 152.9 PSI 37 37 A 26 ALA C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -161.7 -101.9 PHI 38 38 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 CYS N 1.0 128.7 168.7 PSI 39 39 A 28 CYS C A 29 SER N A 29 SER CA A 29 SER C 1.0 -175.6 -135.6 PHI 40 40 A 29 SER N A 29 SER CA A 29 SER C A 30 GLN N 1.0 145.3 185.3 PSI 41 41 A 29 SER C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -84.8 -44.8 PHI 42 42 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 ALA N 1.0 -55.8 -15.8 PSI 43 43 A 30 GLN C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -82.7 -42.7 PHI 44 44 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 CYS N 1.0 -60.2 -20.2 PSI 45 45 A 31 ALA C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -85.8 -45.8 PHI 46 46 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ALA N 1.0 -56.9 -16.9 PSI 47 47 A 32 CYS C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -84.2 -44.2 PHI 48 48 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 GLU N 1.0 -54.2 -14.2 PSI 49 49 A 33 ALA C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -110.0 -70.0 PHI 50 50 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 GLN N 1.0 -21.5 23.3 PSI 51 51 A 34 GLU C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 36.1 76.1 PHI 52 52 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 HIS N 1.0 22.1 62.1 PSI 53 53 A 37 PRO C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -120.6 -71.0 PHI 54 54 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 GLY N 1.0 -26.0 24.8 PSI 55 55 A 38 ASN C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 61.3 102.9 PHI 56 56 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 GLU N 1.0 -6.3 33.7 PSI 57 57 A 39 GLY C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -94.3 -54.3 PHI 58 58 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 PRO N 1.0 113.5 160.7 PSI 59 59 A 41 PRO C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -163.4 -23.8 PHI 60 60 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 PRO N 1.0 110.3 176.9 PSI 61 61 A 43 PRO C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -140.9 -31.7 PHI 62 62 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 PRO N 1.0 102.4 179.0 PSI 63 63 A 45 PRO C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -115.3 -73.7 PHI 64 64 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 CYS N 1.0 -16.4 23.6 PSI 65 65 A 46 ASP C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -90.5 -50.5 PHI 66 66 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 HIS N 1.0 119.6 159.6 PSI 67 67 A 48 HIS C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -113.9 -37.9 PHI 68 68 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 GLU N 1.0 125.3 169.1 PSI 69 69 A 76 SER C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -85.4 -41.0 PHI 70 70 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 PRO N 1.0 117.1 157.7 PSI 71 71 A 78 PRO C A 79 ILE N A 79 ILE CA A 79 ILE C 1.0 -103.2 -53.6 PHI 72 72 A 79 ILE N A 79 ILE CA A 79 ILE C A 80 SER N 1.0 112.4 157.6 PSI 73 73 A 79 ILE C A 80 SER N A 80 SER CA A 80 SER C 1.0 -90.3 -50.3 PHI 74 74 A 80 SER N A 80 SER CA A 80 SER C A 81 PRO N 1.0 119.8 173.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11.0721 . . . . 2 ppm . . 30.0513 . . . . 3 ppm . . 20.0042 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 70 . . . . 3 ppm . . 20.0242 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 30 . . . . 3 ppm . . 13.9767 . . . . stop_ save_