data_nef_c19682_2miq save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MIQ 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 41 CYS SG 1 67 CYS SG 1 56 CYS SG 1 82 CYS SG 1 82 CYS SG 1 85 CYS SG 1 64 HIS ND1 2 1 ZN ZN 1 67 CYS SG 2 1 ZN ZN 1 41 CYS SG 2 1 ZN ZN 1 44 CYS SG 2 1 ZN ZN 1 56 CYS SG 2 2 ZN ZN 1 59 CYS SG 2 2 ZN ZN 1 82 CYS SG 2 2 ZN ZN 1 85 CYS SG 2 2 ZN ZN 1 58 GLY O 2 2 ZN ZN 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 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 SER middle . . 5 A 5 GLY middle . false 6 A 6 GLY middle . false 7 A 7 SER middle . . 8 A 8 PRO middle . false 9 A 9 LEU middle . . 10 A 10 ALA middle . . 11 A 11 THR middle . . 12 A 12 GLY middle . false 13 A 13 THR middle . . 14 A 14 THR middle . . 15 A 15 ALA middle . . 16 A 16 ASN middle . . 17 A 17 THR middle . . 18 A 18 ARG middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 SER middle . . 22 A 22 GLN middle . . 23 A 23 LYS middle . . 24 A 24 LYS middle . . 25 A 25 GLY middle . false 26 A 26 GLY middle . false 27 A 27 GLU middle . . 28 A 28 PRO middle . false 29 A 29 PRO middle . false 30 A 30 ALA middle . . 31 A 31 LEU middle . . 32 A 32 ILE middle . . 33 A 33 VAL middle . . 34 A 34 ASP middle . . 35 A 35 PRO middle . false 36 A 36 LEU middle . . 37 A 37 MET middle . . 38 A 38 LYS middle . . 39 A 39 TYR middle . . 40 A 40 ILE middle . . 41 A 41 CYS middle -HG . 42 A 42 HIS middle . . 43 A 43 ILE middle . . 44 A 44 CYS middle -HG . 45 A 45 ASN middle . . 46 A 46 ARG middle . . 47 A 47 GLY middle . false 48 A 48 ASP middle . . 49 A 49 VAL middle . . 50 A 50 GLU middle . . 51 A 51 GLU middle . . 52 A 52 SER middle . . 53 A 53 MET middle . . 54 A 54 LEU middle . . 55 A 55 LEU middle . . 56 A 56 CYS middle -HG . 57 A 57 ASP middle . . 58 A 58 GLY middle . false 59 A 59 CYS middle -HG . 60 A 60 ASP middle . . 61 A 61 ASP middle . . 62 A 62 SER middle . . 63 A 63 TYR middle . . 64 A 64 HIS middle -HD1 . 65 A 65 THR middle . . 66 A 66 PHE middle . . 67 A 67 CYS middle -HG . 68 A 68 LEU middle . . 69 A 69 LEU middle . . 70 A 70 PRO middle . true 71 A 71 PRO middle . false 72 A 72 LEU middle . . 73 A 73 THR middle . . 74 A 74 SER middle . . 75 A 75 ILE middle . . 76 A 76 PRO middle . false 77 A 77 LYS middle . . 78 A 78 GLY middle . false 79 A 79 GLU middle . . 80 A 80 TRP middle . . 81 A 81 LEU middle . . 82 A 82 CYS middle -HG . 83 A 83 PRO middle . false 84 A 84 ARG middle . . 85 A 85 CYS middle -HG . 86 A 86 VAL middle . . 87 A 87 VAL middle . . 88 A 88 GLU middle . . 89 A 89 GLU middle . . 90 A 90 VAL middle . . 91 A 91 SER middle . . 92 A 92 LYS middle . . 93 A 93 PRO middle . false 94 A 94 GLN end . . 95 B 1 ZN . . . 96 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 HIS H H 1 8.134 0.020 A 2 HIS HA H 1 4.750 0.020 A 2 HIS HBy H 1 3.151 0.020 A 2 HIS HBx H 1 3.134 0.020 A 2 HIS HD2 H 1 7.100 0.020 A 2 HIS HE1 H 1 8.040 0.020 A 2 HIS CA C 13 56.292 0.400 A 2 HIS CB C 13 30.558 0.400 A 2 HIS CD2 C 13 119.768 0.400 A 2 HIS CE1 C 13 138.084 0.400 A 2 HIS ND1 N 15 207.570 0.400 A 2 HIS NE2 N 15 176.941 0.400 A 3 MET H H 1 8.419 0.020 A 3 MET HA H 1 4.494 0.020 A 3 MET HBy H 1 2.073 0.020 A 3 MET HBx H 1 1.945 0.020 A 3 MET HE% H 1 2.062 0.020 A 3 MET HGy H 1 2.515 0.020 A 3 MET HGx H 1 2.443 0.020 A 3 MET C C 13 176.078 0.400 A 3 MET CA C 13 55.504 0.400 A 3 MET CB C 13 32.860 0.400 A 3 MET CE C 13 16.874 0.400 A 3 MET CG C 13 31.819 0.400 A 3 MET N N 15 123.164 0.400 A 4 SER H H 1 8.416 0.020 A 4 SER HA H 1 4.439 0.020 A 4 SER HB2 H 1 3.856 0.020 A 4 SER HB3 H 1 3.856 0.020 A 4 SER C C 13 175.011 0.400 A 4 SER CA C 13 58.516 0.400 A 4 SER CB C 13 63.773 0.400 A 4 SER N N 15 117.403 0.400 A 5 GLY H H 1 8.475 0.020 A 5 GLY HA2 H 1 3.996 0.020 A 5 GLY HA3 H 1 3.996 0.020 A 5 GLY C C 13 174.567 0.400 A 5 GLY CA C 13 45.185 0.400 A 5 GLY N N 15 111.174 0.400 A 6 GLY H H 1 8.274 0.020 A 6 GLY HA2 H 1 3.982 0.020 A 6 GLY HA3 H 1 3.982 0.020 A 6 GLY C C 13 173.781 0.400 A 6 GLY CA C 13 44.983 0.400 A 6 GLY N N 15 108.594 0.400 A 7 SER H H 1 8.220 0.020 A 7 SER HB2 H 1 3.855 0.020 A 7 SER HB3 H 1 3.855 0.020 A 7 SER C C 13 172.995 0.400 A 7 SER CA C 13 56.387 0.400 A 7 SER CB C 13 63.508 0.400 A 7 SER N N 15 116.558 0.400 A 8 PRO HA H 1 4.454 0.020 A 8 PRO HBx H 1 1.909 0.020 A 8 PRO HBy H 1 2.288 0.020 A 8 PRO HD2 H 1 3.843 0.020 A 8 PRO HD3 H 1 3.843 0.020 A 8 PRO HG2 H 1 2.012 0.020 A 8 PRO HG3 H 1 2.012 0.020 A 8 PRO C C 13 176.864 0.400 A 8 PRO CA C 13 63.349 0.400 A 8 PRO CB C 13 32.010 0.400 A 8 PRO CD C 13 50.866 0.400 A 8 PRO CG C 13 27.301 0.400 A 9 LEU H H 1 8.196 0.020 A 9 LEU HA H 1 4.304 0.020 A 9 LEU HB2 H 1 1.572 0.020 A 9 LEU HB3 H 1 1.572 0.020 A 9 LEU HD1% H 1 0.917 0.020 A 9 LEU HD2% H 1 0.864 0.020 A 9 LEU HG H 1 1.592 0.020 A 9 LEU C C 13 177.237 0.400 A 9 LEU CA C 13 55.023 0.400 A 9 LEU CB C 13 42.353 0.400 A 9 LEU CD1 C 13 24.861 0.400 A 9 LEU CD2 C 13 23.363 0.400 A 9 LEU CG C 13 27.112 0.400 A 9 LEU N N 15 121.497 0.400 A 10 ALA H H 1 8.242 0.020 A 10 ALA HA H 1 4.402 0.020 A 10 ALA HB% H 1 1.403 0.020 A 10 ALA C C 13 177.812 0.400 A 10 ALA CA C 13 52.408 0.400 A 10 ALA CB C 13 19.238 0.400 A 10 ALA N N 15 124.964 0.400 A 11 THR H H 1 8.081 0.020 A 11 THR HA H 1 4.341 0.020 A 11 THR HB H 1 4.264 0.020 A 11 THR HG2% H 1 1.203 0.020 A 11 THR C C 13 175.181 0.400 A 11 THR CA C 13 61.870 0.400 A 11 THR CB C 13 69.622 0.400 A 11 THR CG2 C 13 21.523 0.400 A 11 THR N N 15 112.852 0.400 A 12 GLY H H 1 8.408 0.020 A 12 GLY HA2 H 1 4.047 0.020 A 12 GLY HA3 H 1 4.047 0.020 A 12 GLY C C 13 174.395 0.400 A 12 GLY CA C 13 45.376 0.400 A 12 GLY N N 15 110.929 0.400 A 13 THR H H 1 8.130 0.020 A 13 THR HA H 1 4.445 0.020 A 13 THR HB H 1 4.270 0.020 A 13 THR HG2% H 1 1.203 0.020 A 13 THR C C 13 174.889 0.400 A 13 THR CA C 13 61.816 0.400 A 13 THR CB C 13 69.812 0.400 A 13 THR CG2 C 13 21.530 0.400 A 13 THR N N 15 113.482 0.400 A 14 THR H H 1 8.199 0.020 A 14 THR HA H 1 4.370 0.020 A 14 THR HB H 1 4.275 0.020 A 14 THR HG2% H 1 1.213 0.020 A 14 THR C C 13 174.385 0.400 A 14 THR CA C 13 61.788 0.400 A 14 THR CB C 13 69.696 0.400 A 14 THR CG2 C 13 21.552 0.400 A 14 THR N N 15 116.080 0.400 A 15 ALA H H 1 8.349 0.020 A 15 ALA HA H 1 4.301 0.020 A 15 ALA HB% H 1 1.383 0.020 A 15 ALA C C 13 177.469 0.400 A 15 ALA CA C 13 52.846 0.400 A 15 ALA CB C 13 19.184 0.400 A 15 ALA N N 15 126.054 0.400 A 16 ASN H H 1 8.403 0.020 A 16 ASN HA H 1 4.744 0.020 A 16 ASN HBy H 1 2.859 0.020 A 16 ASN HBx H 1 2.778 0.020 A 16 ASN HD2x H 1 6.833 0.020 A 16 ASN HD2y H 1 7.555 0.020 A 16 ASN C C 13 175.575 0.400 A 16 ASN CA C 13 53.197 0.400 A 16 ASN CB C 13 38.732 0.400 A 16 ASN N N 15 117.718 0.400 A 16 ASN ND2 N 15 112.614 0.400 A 17 THR H H 1 8.081 0.020 A 17 THR HA H 1 4.312 0.020 A 17 THR HB H 1 4.275 0.020 A 17 THR HG2% H 1 1.199 0.020 A 17 THR C C 13 174.799 0.400 A 17 THR CA C 13 61.973 0.400 A 17 THR CB C 13 69.624 0.400 A 17 THR CG2 C 13 21.531 0.400 A 17 THR N N 15 114.153 0.400 A 18 ARG H H 1 8.351 0.020 A 18 ARG HA H 1 4.325 0.020 A 18 ARG HBx H 1 1.803 0.020 A 18 ARG HBy H 1 1.869 0.020 A 18 ARG HD2 H 1 3.201 0.020 A 18 ARG HD3 H 1 3.201 0.020 A 18 ARG HGy H 1 1.670 0.020 A 18 ARG HGx H 1 1.622 0.020 A 18 ARG C C 13 176.875 0.400 A 18 ARG CA C 13 56.551 0.400 A 18 ARG CB C 13 30.587 0.400 A 18 ARG CD C 13 43.359 0.400 A 18 ARG CG C 13 27.141 0.400 A 18 ARG N N 15 122.990 0.400 A 19 GLY H H 1 8.394 0.020 A 19 GLY HA2 H 1 3.941 0.020 A 19 GLY HA3 H 1 3.941 0.020 A 19 GLY C C 13 174.002 0.400 A 19 GLY CA C 13 45.314 0.400 A 19 GLY N N 15 109.993 0.400 A 20 ALA H H 1 8.185 0.020 A 20 ALA HA H 1 4.342 0.020 A 20 ALA HB% H 1 1.408 0.020 A 20 ALA C C 13 178.034 0.400 A 20 ALA CA C 13 52.650 0.400 A 20 ALA CB C 13 19.221 0.400 A 20 ALA N N 15 123.732 0.400 A 21 SER H H 1 8.319 0.020 A 21 SER HA H 1 4.419 0.020 A 21 SER HBy H 1 3.898 0.020 A 21 SER HBx H 1 3.866 0.020 A 21 SER C C 13 174.627 0.400 A 21 SER CA C 13 58.495 0.400 A 21 SER CB C 13 63.697 0.400 A 21 SER N N 15 114.750 0.400 A 22 GLN H H 1 8.343 0.020 A 22 GLN HA H 1 4.344 0.020 A 22 GLN HBx H 1 1.972 0.020 A 22 GLN HBy H 1 2.124 0.020 A 22 GLN HE2x H 1 6.928 0.020 A 22 GLN HE2y H 1 7.615 0.020 A 22 GLN HG2 H 1 2.366 0.020 A 22 GLN HG3 H 1 2.366 0.020 A 22 GLN C C 13 175.857 0.400 A 22 GLN CA C 13 55.775 0.400 A 22 GLN CB C 13 29.398 0.400 A 22 GLN CG C 13 33.841 0.400 A 22 GLN N N 15 122.092 0.400 A 22 GLN NE2 N 15 112.634 0.400 A 23 LYS H H 1 8.309 0.020 A 23 LYS HA H 1 4.297 0.020 A 23 LYS HB2 H 1 1.758 0.020 A 23 LYS HB3 H 1 1.758 0.020 A 23 LYS HD2 H 1 1.684 0.020 A 23 LYS HD3 H 1 1.684 0.020 A 23 LYS HE2 H 1 2.995 0.020 A 23 LYS HE3 H 1 2.995 0.020 A 23 LYS HG2 H 1 1.525 0.020 A 23 LYS HG3 H 1 1.525 0.020 A 23 LYS C C 13 176.502 0.400 A 23 LYS CA C 13 56.315 0.400 A 23 LYS CB C 13 33.048 0.400 A 23 LYS CD C 13 29.104 0.400 A 23 LYS CE C 13 42.096 0.400 A 23 LYS CG C 13 24.902 0.400 A 23 LYS N N 15 122.663 0.400 A 24 LYS H H 1 8.469 0.020 A 24 LYS HA H 1 4.326 0.020 A 24 LYS HBy H 1 1.853 0.020 A 24 LYS HBx H 1 1.757 0.020 A 24 LYS HD2 H 1 1.683 0.020 A 24 LYS HD3 H 1 1.683 0.020 A 24 LYS HE2 H 1 2.992 0.020 A 24 LYS HE3 H 1 2.992 0.020 A 24 LYS HG2 H 1 1.433 0.020 A 24 LYS HG3 H 1 1.433 0.020 A 24 LYS C C 13 177.026 0.400 A 24 LYS CA C 13 56.359 0.400 A 24 LYS CB C 13 32.993 0.400 A 24 LYS CD C 13 28.964 0.400 A 24 LYS CE C 13 42.048 0.400 A 24 LYS CG C 13 24.662 0.400 A 24 LYS N N 15 123.434 0.400 A 25 GLY H H 1 8.531 0.020 A 25 GLY HA2 H 1 3.980 0.020 A 25 GLY HA3 H 1 3.980 0.020 A 25 GLY C C 13 174.476 0.400 A 25 GLY CA C 13 45.274 0.400 A 25 GLY N N 15 110.813 0.400 A 26 GLY H H 1 8.279 0.020 A 26 GLY HA2 H 1 3.952 0.020 A 26 GLY HA3 H 1 3.952 0.020 A 26 GLY C C 13 173.851 0.400 A 26 GLY CA C 13 45.069 0.400 A 26 GLY N N 15 108.690 0.400 A 27 GLU H H 1 8.321 0.020 A 27 GLU HA H 1 4.584 0.020 A 27 GLU HBy H 1 2.016 0.020 A 27 GLU HBx H 1 1.872 0.020 A 27 GLU HG2 H 1 2.290 0.020 A 27 GLU HG3 H 1 2.290 0.020 A 27 GLU C C 13 174.204 0.400 A 27 GLU CA C 13 54.440 0.400 A 27 GLU CB C 13 29.437 0.400 A 27 GLU CG C 13 35.988 0.400 A 27 GLU N N 15 121.707 0.400 A 28 PRO HA H 1 4.394 0.020 A 28 PRO HBy H 1 2.291 0.020 A 28 PRO HBx H 1 1.899 0.020 A 28 PRO HDy H 1 3.835 0.020 A 28 PRO HDx H 1 3.660 0.020 A 28 PRO HG2 H 1 2.022 0.020 A 28 PRO HG3 H 1 2.022 0.020 A 28 PRO CA C 13 62.811 0.400 A 28 PRO CB C 13 32.158 0.400 A 28 PRO CD C 13 50.546 0.400 A 28 PRO CG C 13 27.253 0.400 A 29 PRO HA H 1 4.397 0.020 A 29 PRO HBx H 1 1.890 0.020 A 29 PRO HBy H 1 2.282 0.020 A 29 PRO HD2 H 1 3.655 0.020 A 29 PRO HD3 H 1 3.655 0.020 A 29 PRO HGy H 1 2.012 0.020 A 29 PRO HGx H 1 1.941 0.020 A 29 PRO C C 13 176.462 0.400 A 29 PRO CA C 13 62.844 0.400 A 29 PRO CB C 13 31.961 0.400 A 29 PRO CD C 13 50.441 0.400 A 29 PRO CG C 13 27.304 0.400 A 30 ALA H H 1 8.290 0.020 A 30 ALA HA H 1 4.274 0.020 A 30 ALA HB% H 1 1.362 0.020 A 30 ALA C C 13 177.368 0.400 A 30 ALA CA C 13 52.257 0.400 A 30 ALA CB C 13 19.237 0.400 A 30 ALA N N 15 123.850 0.400 A 31 LEU H H 1 8.139 0.020 A 31 LEU HA H 1 4.333 0.020 A 31 LEU HB2 H 1 1.571 0.020 A 31 LEU HB3 H 1 1.571 0.020 A 31 LEU HD1% H 1 0.896 0.020 A 31 LEU HD2% H 1 0.849 0.020 A 31 LEU HG H 1 1.571 0.020 A 31 LEU C C 13 176.804 0.400 A 31 LEU CA C 13 55.015 0.400 A 31 LEU CB C 13 42.444 0.400 A 31 LEU CD1 C 13 24.710 0.400 A 31 LEU CD2 C 13 23.879 0.400 A 31 LEU CG C 13 27.108 0.400 A 31 LEU N N 15 121.430 0.400 A 32 ILE H H 1 8.140 0.020 A 32 ILE HA H 1 4.168 0.020 A 32 ILE HB H 1 1.840 0.020 A 32 ILE HD1% H 1 0.839 0.020 A 32 ILE HG1y H 1 1.474 0.020 A 32 ILE HG1x H 1 1.158 0.020 A 32 ILE HG2% H 1 0.855 0.020 A 32 ILE C C 13 175.887 0.400 A 32 ILE CA C 13 60.690 0.400 A 32 ILE CB C 13 38.477 0.400 A 32 ILE CD1 C 13 12.552 0.400 A 32 ILE CG1 C 13 27.199 0.400 A 32 ILE CG2 C 13 17.432 0.400 A 32 ILE N N 15 123.070 0.400 A 33 VAL H H 1 8.198 0.020 A 33 VAL HA H 1 4.087 0.020 A 33 VAL HB H 1 2.006 0.020 A 33 VAL HG1% H 1 0.873 0.020 A 33 VAL HG2% H 1 0.885 0.020 A 33 VAL C C 13 175.232 0.400 A 33 VAL CA C 13 61.851 0.400 A 33 VAL CB C 13 32.920 0.400 A 33 VAL CG1 C 13 21.017 0.400 A 33 VAL CG2 C 13 20.536 0.400 A 33 VAL N N 15 124.923 0.400 A 34 ASP H H 1 8.336 0.020 A 34 ASP HA H 1 4.860 0.020 A 34 ASP HBy H 1 2.760 0.020 A 34 ASP HBx H 1 2.531 0.020 A 34 ASP C C 13 174.919 0.400 A 34 ASP CA C 13 51.926 0.400 A 34 ASP CB C 13 41.504 0.400 A 34 ASP N N 15 125.813 0.400 A 35 PRO HA H 1 4.364 0.020 A 35 PRO HBx H 1 1.946 0.020 A 35 PRO HBy H 1 2.289 0.020 A 35 PRO HDy H 1 3.872 0.020 A 35 PRO HDx H 1 3.845 0.020 A 35 PRO HG2 H 1 2.017 0.020 A 35 PRO HG3 H 1 2.017 0.020 A 35 PRO C C 13 177.091 0.400 A 35 PRO CA C 13 63.514 0.400 A 35 PRO CB C 13 32.173 0.400 A 35 PRO CD C 13 50.863 0.400 A 35 PRO CG C 13 27.122 0.400 A 36 LEU H H 1 8.316 0.020 A 36 LEU HA H 1 4.256 0.020 A 36 LEU HBx H 1 1.540 0.020 A 36 LEU HBy H 1 1.704 0.020 A 36 LEU HD1% H 1 0.927 0.020 A 36 LEU HD2% H 1 0.850 0.020 A 36 LEU HG H 1 1.615 0.020 A 36 LEU C C 13 177.479 0.400 A 36 LEU CA C 13 55.226 0.400 A 36 LEU CB C 13 41.635 0.400 A 36 LEU CD1 C 13 25.000 0.400 A 36 LEU CD2 C 13 23.136 0.400 A 36 LEU CG C 13 27.100 0.400 A 36 LEU N N 15 119.977 0.400 A 37 MET H H 1 7.893 0.020 A 37 MET HA H 1 4.326 0.020 A 37 MET HB2 H 1 1.927 0.020 A 37 MET HB3 H 1 1.927 0.020 A 37 MET HE% H 1 2.025 0.020 A 37 MET HG2 H 1 2.416 0.020 A 37 MET HG3 H 1 2.416 0.020 A 37 MET C C 13 175.171 0.400 A 37 MET CA C 13 55.160 0.400 A 37 MET CB C 13 32.514 0.400 A 37 MET CE C 13 17.009 0.400 A 37 MET CG C 13 32.077 0.400 A 37 MET N N 15 120.231 0.400 A 38 LYS H H 1 7.929 0.020 A 38 LYS HA H 1 4.160 0.020 A 38 LYS HB2 H 1 1.523 0.020 A 38 LYS HB3 H 1 1.523 0.020 A 38 LYS HD2 H 1 1.562 0.020 A 38 LYS HD3 H 1 1.562 0.020 A 38 LYS HE2 H 1 2.902 0.020 A 38 LYS HE3 H 1 2.902 0.020 A 38 LYS HGy H 1 1.205 0.020 A 38 LYS HGx H 1 1.094 0.020 A 38 LYS C C 13 175.837 0.400 A 38 LYS CA C 13 56.105 0.400 A 38 LYS CB C 13 33.214 0.400 A 38 LYS CD C 13 28.915 0.400 A 38 LYS CE C 13 41.949 0.400 A 38 LYS CG C 13 24.396 0.400 A 38 LYS N N 15 122.361 0.400 A 39 TYR H H 1 8.020 0.020 A 39 TYR HA H 1 4.570 0.020 A 39 TYR HBx H 1 2.675 0.020 A 39 TYR HBy H 1 3.030 0.020 A 39 TYR HD1 H 1 7.131 0.020 A 39 TYR HD2 H 1 7.131 0.020 A 39 TYR HE1 H 1 6.826 0.020 A 39 TYR HE2 H 1 6.826 0.020 A 39 TYR C C 13 174.325 0.400 A 39 TYR CA C 13 57.424 0.400 A 39 TYR CB C 13 38.609 0.400 A 39 TYR CD1 C 13 132.972 0.400 A 39 TYR CE1 C 13 118.215 0.400 A 39 TYR N N 15 120.347 0.400 A 40 ILE H H 1 8.000 0.020 A 40 ILE HA H 1 3.975 0.020 A 40 ILE HB H 1 1.525 0.020 A 40 ILE HD1% H 1 0.632 0.020 A 40 ILE HG1y H 1 1.218 0.020 A 40 ILE HG1x H 1 0.995 0.020 A 40 ILE HG2% H 1 0.554 0.020 A 40 ILE C C 13 175.181 0.400 A 40 ILE CA C 13 58.580 0.400 A 40 ILE CB C 13 39.694 0.400 A 40 ILE CD1 C 13 11.619 0.400 A 40 ILE CG1 C 13 26.502 0.400 A 40 ILE CG2 C 13 17.200 0.400 A 40 ILE N N 15 119.688 0.400 A 41 CYS H H 1 7.990 0.020 A 41 CYS HA H 1 3.972 0.020 A 41 CYS HBx H 1 1.827 0.020 A 41 CYS HBy H 1 3.429 0.020 A 41 CYS C C 13 177.197 0.400 A 41 CYS CA C 13 59.057 0.400 A 41 CYS CB C 13 31.374 0.400 A 41 CYS N N 15 129.049 0.400 A 42 HIS H H 1 8.933 0.020 A 42 HIS HA H 1 4.132 0.020 A 42 HIS HBx H 1 2.309 0.020 A 42 HIS HBy H 1 2.746 0.020 A 42 HIS HD2 H 1 7.192 0.020 A 42 HIS HE1 H 1 8.511 0.020 A 42 HIS C C 13 174.385 0.400 A 42 HIS CA C 13 57.991 0.400 A 42 HIS CB C 13 28.700 0.400 A 42 HIS CD2 C 13 120.598 0.400 A 42 HIS CE1 C 13 136.727 0.400 A 42 HIS N N 15 127.633 0.400 A 42 HIS ND1 N 15 179.151 0.400 A 42 HIS NE2 N 15 176.269 0.400 A 43 ILE H H 1 8.944 0.020 A 43 ILE HA H 1 4.165 0.020 A 43 ILE HB H 1 2.043 0.020 A 43 ILE HD1% H 1 1.070 0.020 A 43 ILE HG1y H 1 1.849 0.020 A 43 ILE HG1x H 1 1.574 0.020 A 43 ILE HG2% H 1 1.091 0.020 A 43 ILE C C 13 176.673 0.400 A 43 ILE CA C 13 62.122 0.400 A 43 ILE CB C 13 38.334 0.400 A 43 ILE CD1 C 13 11.725 0.400 A 43 ILE CG1 C 13 27.537 0.400 A 43 ILE CG2 C 13 16.402 0.400 A 43 ILE N N 15 119.482 0.400 A 44 CYS H H 1 8.221 0.020 A 44 CYS HA H 1 4.884 0.020 A 44 CYS HBx H 1 3.142 0.020 A 44 CYS HBy H 1 3.336 0.020 A 44 CYS C C 13 176.008 0.400 A 44 CYS CA C 13 59.001 0.400 A 44 CYS CB C 13 31.055 0.400 A 44 CYS N N 15 117.996 0.400 A 45 ASN H H 1 8.040 0.020 A 45 ASN HA H 1 4.387 0.020 A 45 ASN HBx H 1 2.789 0.020 A 45 ASN HBy H 1 3.066 0.020 A 45 ASN HD2x H 1 6.637 0.020 A 45 ASN HD2y H 1 7.331 0.020 A 45 ASN C C 13 173.893 0.400 A 45 ASN CA C 13 55.014 0.400 A 45 ASN CB C 13 37.854 0.400 A 45 ASN N N 15 117.410 0.400 A 45 ASN ND2 N 15 111.946 0.400 A 46 ARG H H 1 8.201 0.020 A 46 ARG HA H 1 4.720 0.020 A 46 ARG HBx H 1 2.166 0.020 A 46 ARG HBy H 1 2.283 0.020 A 46 ARG HDy H 1 3.384 0.020 A 46 ARG HDx H 1 3.327 0.020 A 46 ARG HE H 1 7.622 0.020 A 46 ARG HGy H 1 1.834 0.020 A 46 ARG HGx H 1 1.655 0.020 A 46 ARG C C 13 176.865 0.400 A 46 ARG CA C 13 55.427 0.400 A 46 ARG CB C 13 34.152 0.400 A 46 ARG CD C 13 43.518 0.400 A 46 ARG CG C 13 27.350 0.400 A 46 ARG N N 15 117.127 0.400 A 46 ARG NE N 15 84.641 0.400 A 47 GLY H H 1 8.902 0.020 A 47 GLY HAx H 1 3.607 0.020 A 47 GLY HAy H 1 3.650 0.020 A 47 GLY C C 13 173.670 0.400 A 47 GLY CA C 13 45.017 0.400 A 47 GLY N N 15 109.334 0.400 A 48 ASP H H 1 8.046 0.020 A 48 ASP HA H 1 4.700 0.020 A 48 ASP HBy H 1 2.950 0.020 A 48 ASP HBx H 1 2.855 0.020 A 48 ASP C C 13 173.871 0.400 A 48 ASP CA C 13 52.409 0.400 A 48 ASP CB C 13 40.859 0.400 A 48 ASP N N 15 117.908 0.400 A 49 VAL H H 1 8.772 0.020 A 49 VAL HA H 1 3.703 0.020 A 49 VAL HB H 1 2.486 0.020 A 49 VAL HG1% H 1 1.078 0.020 A 49 VAL HG2% H 1 0.817 0.020 A 49 VAL C C 13 177.096 0.400 A 49 VAL CA C 13 62.491 0.400 A 49 VAL CB C 13 29.423 0.400 A 49 VAL CG1 C 13 24.609 0.400 A 49 VAL CG2 C 13 20.690 0.400 A 49 VAL N N 15 117.921 0.400 A 50 GLU H H 1 9.047 0.020 A 50 GLU HA H 1 3.832 0.020 A 50 GLU HBy H 1 2.124 0.020 A 50 GLU HBx H 1 2.058 0.020 A 50 GLU HG2 H 1 2.400 0.020 A 50 GLU HG3 H 1 2.400 0.020 A 50 GLU C C 13 178.779 0.400 A 50 GLU CA C 13 59.920 0.400 A 50 GLU CB C 13 29.137 0.400 A 50 GLU CG C 13 36.462 0.400 A 50 GLU N N 15 120.434 0.400 A 51 GLU H H 1 9.822 0.020 A 51 GLU HA H 1 4.307 0.020 A 51 GLU HBy H 1 2.141 0.020 A 51 GLU HBx H 1 2.105 0.020 A 51 GLU HGy H 1 2.379 0.020 A 51 GLU HGx H 1 2.319 0.020 A 51 GLU C C 13 177.358 0.400 A 51 GLU CA C 13 58.256 0.400 A 51 GLU CB C 13 28.225 0.400 A 51 GLU CG C 13 35.875 0.400 A 51 GLU N N 15 119.158 0.400 A 52 SER H H 1 8.291 0.020 A 52 SER HA H 1 4.716 0.020 A 52 SER HB2 H 1 3.953 0.020 A 52 SER HB3 H 1 3.953 0.020 A 52 SER C C 13 172.309 0.400 A 52 SER CA C 13 57.745 0.400 A 52 SER CB C 13 64.494 0.400 A 52 SER N N 15 116.430 0.400 A 53 MET H H 1 7.648 0.020 A 53 MET HA H 1 4.577 0.020 A 53 MET HBx H 1 1.739 0.020 A 53 MET HBy H 1 2.007 0.020 A 53 MET HE% H 1 1.622 0.020 A 53 MET HG2 H 1 2.113 0.020 A 53 MET HG3 H 1 2.113 0.020 A 53 MET C C 13 174.385 0.400 A 53 MET CA C 13 54.784 0.400 A 53 MET CB C 13 33.410 0.400 A 53 MET CE C 13 17.301 0.400 A 53 MET CG C 13 32.951 0.400 A 53 MET N N 15 121.812 0.400 A 54 LEU H H 1 9.007 0.020 A 54 LEU HA H 1 4.248 0.020 A 54 LEU HBx H 1 0.545 0.020 A 54 LEU HBy H 1 0.964 0.020 A 54 LEU HD1% H 1 -0.371 0.020 A 54 LEU HD2% H 1 0.156 0.020 A 54 LEU HG H 1 1.038 0.020 A 54 LEU C C 13 175.111 0.400 A 54 LEU CA C 13 53.623 0.400 A 54 LEU CB C 13 43.759 0.400 A 54 LEU CD1 C 13 25.329 0.400 A 54 LEU CD2 C 13 23.775 0.400 A 54 LEU CG C 13 25.675 0.400 A 54 LEU N N 15 128.167 0.400 A 55 LEU H H 1 8.139 0.020 A 55 LEU HA H 1 4.805 0.020 A 55 LEU HBy H 1 1.455 0.020 A 55 LEU HBx H 1 1.375 0.020 A 55 LEU HD1% H 1 0.592 0.020 A 55 LEU HD2% H 1 0.468 0.020 A 55 LEU HG H 1 1.313 0.020 A 55 LEU C C 13 176.260 0.400 A 55 LEU CA C 13 53.247 0.400 A 55 LEU CB C 13 43.273 0.400 A 55 LEU CD1 C 13 24.056 0.400 A 55 LEU CD2 C 13 24.353 0.400 A 55 LEU CG C 13 27.507 0.400 A 55 LEU N N 15 122.173 0.400 A 56 CYS H H 1 8.996 0.020 A 56 CYS HA H 1 4.726 0.020 A 56 CYS HBx H 1 2.846 0.020 A 56 CYS HBy H 1 3.462 0.020 A 56 CYS C C 13 177.671 0.400 A 56 CYS CA C 13 60.220 0.400 A 56 CYS CB C 13 31.083 0.400 A 56 CYS N N 15 126.541 0.400 A 57 ASP H H 1 9.373 0.020 A 57 ASP HA H 1 4.667 0.020 A 57 ASP HBy H 1 2.690 0.020 A 57 ASP HBx H 1 2.602 0.020 A 57 ASP C C 13 176.159 0.400 A 57 ASP CA C 13 57.457 0.400 A 57 ASP CB C 13 42.201 0.400 A 57 ASP N N 15 130.338 0.400 A 58 GLY H H 1 10.023 0.020 A 58 GLY HAx H 1 3.968 0.020 A 58 GLY HAy H 1 4.106 0.020 A 58 GLY C C 13 174.801 0.400 A 58 GLY CA C 13 45.982 0.400 A 58 GLY N N 15 114.137 0.400 A 59 CYS H H 1 8.132 0.020 A 59 CYS HA H 1 4.891 0.020 A 59 CYS HBx H 1 2.418 0.020 A 59 CYS HBy H 1 3.119 0.020 A 59 CYS C C 13 175.564 0.400 A 59 CYS CA C 13 58.741 0.400 A 59 CYS CB C 13 33.079 0.400 A 59 CYS N N 15 120.775 0.400 A 60 ASP H H 1 8.085 0.020 A 60 ASP HA H 1 4.689 0.020 A 60 ASP HBx H 1 2.857 0.020 A 60 ASP HBy H 1 3.102 0.020 A 60 ASP C C 13 174.738 0.400 A 60 ASP CA C 13 56.465 0.400 A 60 ASP CB C 13 41.041 0.400 A 60 ASP N N 15 119.232 0.400 A 61 ASP H H 1 8.703 0.020 A 61 ASP HA H 1 4.849 0.020 A 61 ASP HB2 H 1 3.034 0.020 A 61 ASP HB3 H 1 2.321 0.020 A 61 ASP C C 13 175.454 0.400 A 61 ASP CA C 13 55.493 0.400 A 61 ASP CB C 13 42.194 0.400 A 61 ASP N N 15 121.704 0.400 A 62 SER H H 1 8.313 0.020 A 62 SER HA H 1 5.703 0.020 A 62 SER HBx H 1 3.552 0.020 A 62 SER HBy H 1 3.646 0.020 A 62 SER C C 13 173.821 0.400 A 62 SER CA C 13 56.165 0.400 A 62 SER CB C 13 65.275 0.400 A 62 SER N N 15 113.381 0.400 A 63 TYR H H 1 8.815 0.020 A 63 TYR HA H 1 5.351 0.020 A 63 TYR HBy H 1 2.739 0.020 A 63 TYR HBx H 1 2.610 0.020 A 63 TYR HD1 H 1 7.155 0.020 A 63 TYR HD2 H 1 7.155 0.020 A 63 TYR HE1 H 1 6.829 0.020 A 63 TYR HE2 H 1 6.829 0.020 A 63 TYR C C 13 175.393 0.400 A 63 TYR CA C 13 56.687 0.400 A 63 TYR CB C 13 44.326 0.400 A 63 TYR CD1 C 13 133.700 0.400 A 63 TYR CE1 C 13 117.516 0.400 A 63 TYR N N 15 120.467 0.400 A 64 HIS H H 1 9.276 0.020 A 64 HIS HA H 1 4.850 0.020 A 64 HIS HBx H 1 1.294 0.020 A 64 HIS HBy H 1 3.012 0.020 A 64 HIS HD2 H 1 6.721 0.020 A 64 HIS HE1 H 1 7.326 0.020 A 64 HIS C C 13 178.559 0.400 A 64 HIS CA C 13 57.490 0.400 A 64 HIS CB C 13 31.036 0.400 A 64 HIS CD2 C 13 118.616 0.400 A 64 HIS CE1 C 13 137.334 0.400 A 64 HIS N N 15 121.957 0.400 A 64 HIS ND1 N 15 223.722 0.400 A 64 HIS NE2 N 15 169.705 0.400 A 65 THR H H 1 8.832 0.020 A 65 THR HA H 1 3.603 0.020 A 65 THR HB H 1 4.315 0.020 A 65 THR HG2% H 1 1.083 0.020 A 65 THR C C 13 176.824 0.400 A 65 THR CA C 13 64.805 0.400 A 65 THR CB C 13 66.441 0.400 A 65 THR CG2 C 13 22.783 0.400 A 65 THR N N 15 113.100 0.400 A 66 PHE H H 1 6.541 0.020 A 66 PHE HA H 1 4.725 0.020 A 66 PHE HBx H 1 3.025 0.020 A 66 PHE HBy H 1 3.561 0.020 A 66 PHE HD1 H 1 7.247 0.020 A 66 PHE HD2 H 1 7.247 0.020 A 66 PHE HE1 H 1 7.092 0.020 A 66 PHE HE2 H 1 7.092 0.020 A 66 PHE HZ H 1 6.273 0.020 A 66 PHE C C 13 176.846 0.400 A 66 PHE CA C 13 56.215 0.400 A 66 PHE CB C 13 37.430 0.400 A 66 PHE CD1 C 13 132.751 0.400 A 66 PHE CE1 C 13 132.102 0.400 A 66 PHE CZ C 13 129.689 0.400 A 66 PHE N N 15 111.288 0.400 A 67 CYS H H 1 7.384 0.020 A 67 CYS HA H 1 4.493 0.020 A 67 CYS HBx H 1 2.754 0.020 A 67 CYS HBy H 1 3.253 0.020 A 67 CYS C C 13 174.627 0.400 A 67 CYS CA C 13 62.136 0.400 A 67 CYS CB C 13 30.603 0.400 A 67 CYS N N 15 123.228 0.400 A 68 LEU H H 1 6.514 0.020 A 68 LEU HA H 1 4.127 0.020 A 68 LEU HBx H 1 1.510 0.020 A 68 LEU HBy H 1 1.777 0.020 A 68 LEU HD1% H 1 0.889 0.020 A 68 LEU HD2% H 1 0.797 0.020 A 68 LEU HG H 1 1.842 0.020 A 68 LEU C C 13 174.738 0.400 A 68 LEU CA C 13 55.011 0.400 A 68 LEU CB C 13 44.123 0.400 A 68 LEU CD1 C 13 27.047 0.400 A 68 LEU CD2 C 13 23.456 0.400 A 68 LEU CG C 13 27.067 0.400 A 68 LEU N N 15 119.645 0.400 A 69 LEU H H 1 8.050 0.020 A 69 LEU HA H 1 4.683 0.020 A 69 LEU HBy H 1 1.595 0.020 A 69 LEU HBx H 1 1.558 0.020 A 69 LEU HD1% H 1 0.969 0.020 A 69 LEU HD2% H 1 0.921 0.020 A 69 LEU HG H 1 1.523 0.020 A 69 LEU C C 13 174.879 0.400 A 69 LEU CA C 13 51.217 0.400 A 69 LEU CB C 13 44.335 0.400 A 69 LEU CD1 C 13 25.225 0.400 A 69 LEU CD2 C 13 24.541 0.400 A 69 LEU N N 15 119.803 0.400 A 70 PRO HA H 1 5.034 0.020 A 70 PRO HBy H 1 2.467 0.020 A 70 PRO HBx H 1 2.081 0.020 A 70 PRO HDy H 1 3.647 0.020 A 70 PRO HDx H 1 3.503 0.020 A 70 PRO HGy H 1 1.956 0.020 A 70 PRO HGx H 1 1.920 0.020 A 70 PRO CA C 13 62.045 0.400 A 70 PRO CB C 13 33.033 0.400 A 70 PRO CD C 13 50.131 0.400 A 70 PRO CG C 13 24.812 0.400 A 71 PRO HA H 1 4.448 0.020 A 71 PRO HBx H 1 1.880 0.020 A 71 PRO HBy H 1 2.319 0.020 A 71 PRO HD2 H 1 3.749 0.020 A 71 PRO HD3 H 1 3.749 0.020 A 71 PRO HGy H 1 2.158 0.020 A 71 PRO HGx H 1 2.025 0.020 A 71 PRO C C 13 177.632 0.400 A 71 PRO CA C 13 62.988 0.400 A 71 PRO CB C 13 32.129 0.400 A 71 PRO CD C 13 50.085 0.400 A 71 PRO CG C 13 27.364 0.400 A 72 LEU H H 1 7.660 0.020 A 72 LEU HA H 1 4.646 0.020 A 72 LEU HB2 H 1 1.373 0.020 A 72 LEU HB3 H 1 1.649 0.020 A 72 LEU HD1% H 1 0.778 0.020 A 72 LEU HD2% H 1 0.891 0.020 A 72 LEU HG H 1 1.774 0.020 A 72 LEU C C 13 177.983 0.400 A 72 LEU CA C 13 54.037 0.400 A 72 LEU CB C 13 43.384 0.400 A 72 LEU CD1 C 13 25.512 0.400 A 72 LEU CD2 C 13 23.305 0.400 A 72 LEU CG C 13 27.390 0.400 A 72 LEU N N 15 121.033 0.400 A 73 THR H H 1 8.694 0.020 A 73 THR HA H 1 4.289 0.020 A 73 THR HB H 1 4.394 0.020 A 73 THR HG2% H 1 1.196 0.020 A 73 THR C C 13 174.305 0.400 A 73 THR CA C 13 62.324 0.400 A 73 THR CB C 13 69.019 0.400 A 73 THR CG2 C 13 21.719 0.400 A 73 THR N N 15 112.645 0.400 A 74 SER H H 1 7.503 0.020 A 74 SER HA H 1 4.584 0.020 A 74 SER HBx H 1 3.723 0.020 A 74 SER HBy H 1 3.822 0.020 A 74 SER C C 13 172.833 0.400 A 74 SER CA C 13 56.827 0.400 A 74 SER CB C 13 64.678 0.400 A 74 SER N N 15 114.234 0.400 A 75 ILE H H 1 8.498 0.020 A 75 ILE HA H 1 4.079 0.020 A 75 ILE HB H 1 1.821 0.020 A 75 ILE HD1% H 1 0.755 0.020 A 75 ILE HG1y H 1 1.515 0.020 A 75 ILE HG1x H 1 1.142 0.020 A 75 ILE HG2% H 1 0.867 0.020 A 75 ILE C C 13 174.819 0.400 A 75 ILE CA C 13 58.608 0.400 A 75 ILE CB C 13 37.788 0.400 A 75 ILE CD1 C 13 11.993 0.400 A 75 ILE CG1 C 13 27.533 0.400 A 75 ILE CG2 C 13 16.500 0.400 A 75 ILE N N 15 123.720 0.400 A 76 PRO HA H 1 4.408 0.020 A 76 PRO HBx H 1 1.955 0.020 A 76 PRO HBy H 1 2.363 0.020 A 76 PRO HDy H 1 3.819 0.020 A 76 PRO HDx H 1 3.425 0.020 A 76 PRO HG2 H 1 1.963 0.020 A 76 PRO HG3 H 1 1.963 0.020 A 76 PRO C C 13 176.339 0.400 A 76 PRO CA C 13 63.004 0.400 A 76 PRO CB C 13 32.136 0.400 A 76 PRO CD C 13 51.259 0.400 A 76 PRO CG C 13 27.187 0.400 A 77 LYS H H 1 8.516 0.020 A 77 LYS HA H 1 4.335 0.020 A 77 LYS HBx H 1 1.755 0.020 A 77 LYS HBy H 1 1.852 0.020 A 77 LYS HD2 H 1 1.687 0.020 A 77 LYS HD3 H 1 1.687 0.020 A 77 LYS HE2 H 1 2.992 0.020 A 77 LYS HE3 H 1 2.992 0.020 A 77 LYS HG2 H 1 1.433 0.020 A 77 LYS HG3 H 1 1.433 0.020 A 77 LYS C C 13 177.278 0.400 A 77 LYS CA C 13 56.298 0.400 A 77 LYS CB C 13 32.777 0.400 A 77 LYS CD C 13 29.012 0.400 A 77 LYS CE C 13 42.125 0.400 A 77 LYS CG C 13 24.697 0.400 A 77 LYS N N 15 121.662 0.400 A 78 GLY H H 1 8.150 0.020 A 78 GLY HAx H 1 3.961 0.020 A 78 GLY HAy H 1 4.025 0.020 A 78 GLY C C 13 172.995 0.400 A 78 GLY CA C 13 44.546 0.400 A 78 GLY N N 15 110.250 0.400 A 79 GLU H H 1 8.342 0.020 A 79 GLU HA H 1 4.369 0.020 A 79 GLU HBy H 1 1.942 0.020 A 79 GLU HBx H 1 1.881 0.020 A 79 GLU HGy H 1 2.218 0.020 A 79 GLU HGx H 1 2.166 0.020 A 79 GLU C C 13 175.847 0.400 A 79 GLU CA C 13 56.977 0.400 A 79 GLU CB C 13 30.638 0.400 A 79 GLU CG C 13 36.638 0.400 A 79 GLU N N 15 121.820 0.400 A 80 TRP H H 1 9.370 0.020 A 80 TRP HA H 1 4.514 0.020 A 80 TRP HBx H 1 2.949 0.020 A 80 TRP HBy H 1 3.214 0.020 A 80 TRP HD1 H 1 7.265 0.020 A 80 TRP HE1 H 1 9.855 0.020 A 80 TRP HE3 H 1 7.251 0.020 A 80 TRP HH2 H 1 6.304 0.020 A 80 TRP HZ2 H 1 7.099 0.020 A 80 TRP HZ3 H 1 6.681 0.020 A 80 TRP C C 13 172.733 0.400 A 80 TRP CA C 13 59.568 0.400 A 80 TRP CB C 13 30.409 0.400 A 80 TRP CD1 C 13 126.216 0.400 A 80 TRP CE3 C 13 121.530 0.400 A 80 TRP CH2 C 13 122.073 0.400 A 80 TRP CZ2 C 13 114.745 0.400 A 80 TRP CZ3 C 13 119.615 0.400 A 80 TRP N N 15 126.690 0.400 A 80 TRP NE1 N 15 129.526 0.400 A 81 LEU H H 1 6.540 0.020 A 81 LEU HA H 1 5.021 0.020 A 81 LEU HBx H 1 0.791 0.020 A 81 LEU HBy H 1 1.200 0.020 A 81 LEU HD1% H 1 0.697 0.020 A 81 LEU HD2% H 1 0.710 0.020 A 81 LEU HG H 1 1.391 0.020 A 81 LEU C C 13 174.617 0.400 A 81 LEU CA C 13 51.434 0.400 A 81 LEU CB C 13 44.860 0.400 A 81 LEU CD1 C 13 25.384 0.400 A 81 LEU CD2 C 13 23.526 0.400 A 81 LEU CG C 13 26.750 0.400 A 81 LEU N N 15 125.572 0.400 A 82 CYS H H 1 9.086 0.020 A 82 CYS HA H 1 3.529 0.020 A 82 CYS HBy H 1 2.985 0.020 A 82 CYS HBx H 1 2.308 0.020 A 82 CYS C C 13 172.652 0.400 A 82 CYS CA C 13 56.562 0.400 A 82 CYS CB C 13 29.544 0.400 A 82 CYS N N 15 125.868 0.400 A 83 PRO HA H 1 4.068 0.020 A 83 PRO HBx H 1 1.834 0.020 A 83 PRO HBy H 1 2.393 0.020 A 83 PRO HDy H 1 3.273 0.020 A 83 PRO HDx H 1 3.066 0.020 A 83 PRO HGy H 1 1.973 0.020 A 83 PRO HGx H 1 1.953 0.020 A 83 PRO C C 13 178.541 0.400 A 83 PRO CA C 13 65.267 0.400 A 83 PRO CB C 13 32.209 0.400 A 83 PRO CD C 13 49.669 0.400 A 83 PRO CG C 13 27.928 0.400 A 84 ARG H H 1 8.041 0.020 A 84 ARG HA H 1 4.197 0.020 A 84 ARG HB2 H 1 1.886 0.020 A 84 ARG HB3 H 1 1.886 0.020 A 84 ARG HD2 H 1 3.239 0.020 A 84 ARG HD3 H 1 3.239 0.020 A 84 ARG HGy H 1 1.756 0.020 A 84 ARG HGx H 1 1.589 0.020 A 84 ARG C C 13 177.983 0.400 A 84 ARG CA C 13 58.537 0.400 A 84 ARG CB C 13 30.815 0.400 A 84 ARG CD C 13 43.489 0.400 A 84 ARG CG C 13 27.299 0.400 A 84 ARG N N 15 117.140 0.400 A 85 CYS H H 1 8.210 0.020 A 85 CYS HA H 1 3.903 0.020 A 85 CYS HBx H 1 2.666 0.020 A 85 CYS HBy H 1 2.832 0.020 A 85 CYS C C 13 177.298 0.400 A 85 CYS CA C 13 64.168 0.400 A 85 CYS CB C 13 30.038 0.400 A 85 CYS N N 15 123.417 0.400 A 86 VAL H H 1 7.951 0.020 A 86 VAL HA H 1 3.640 0.020 A 86 VAL HB H 1 1.846 0.020 A 86 VAL HG1% H 1 0.768 0.020 A 86 VAL HG2% H 1 0.789 0.020 A 86 VAL C C 13 176.623 0.400 A 86 VAL CA C 13 64.508 0.400 A 86 VAL CB C 13 31.802 0.400 A 86 VAL CG1 C 13 21.044 0.400 A 86 VAL CG2 C 13 22.202 0.400 A 86 VAL N N 15 118.037 0.400 A 87 VAL H H 1 7.255 0.020 A 87 VAL HA H 1 3.976 0.020 A 87 VAL HB H 1 2.112 0.020 A 87 VAL HG1% H 1 0.922 0.020 A 87 VAL HG2% H 1 0.971 0.020 A 87 VAL C C 13 176.774 0.400 A 87 VAL CA C 13 63.182 0.400 A 87 VAL CB C 13 32.210 0.400 A 87 VAL CG1 C 13 21.206 0.400 A 87 VAL CG2 C 13 21.046 0.400 A 87 VAL N N 15 119.227 0.400 A 88 GLU H H 1 7.986 0.020 A 88 GLU HA H 1 4.199 0.020 A 88 GLU HBx H 1 1.923 0.020 A 88 GLU HBy H 1 2.022 0.020 A 88 GLU HGy H 1 2.302 0.020 A 88 GLU HGx H 1 2.209 0.020 A 88 GLU C C 13 176.623 0.400 A 88 GLU CA C 13 56.950 0.400 A 88 GLU CB C 13 30.090 0.400 A 88 GLU CG C 13 36.116 0.400 A 88 GLU N N 15 122.469 0.400 A 89 GLU H H 1 8.168 0.020 A 89 GLU HA H 1 4.189 0.020 A 89 GLU HBx H 1 1.961 0.020 A 89 GLU HBy H 1 2.007 0.020 A 89 GLU HGy H 1 2.307 0.020 A 89 GLU HGx H 1 2.201 0.020 A 89 GLU C C 13 176.744 0.400 A 89 GLU CA C 13 56.956 0.400 A 89 GLU CB C 13 29.912 0.400 A 89 GLU CG C 13 36.226 0.400 A 89 GLU N N 15 121.343 0.400 A 90 VAL H H 1 8.027 0.020 A 90 VAL HA H 1 4.084 0.020 A 90 VAL HB H 1 2.099 0.020 A 90 VAL HG1% H 1 0.934 0.020 A 90 VAL HG2% H 1 0.955 0.020 A 90 VAL C C 13 176.290 0.400 A 90 VAL CA C 13 62.592 0.400 A 90 VAL CB C 13 32.527 0.400 A 90 VAL CG1 C 13 21.095 0.400 A 90 VAL CG2 C 13 20.691 0.400 A 90 VAL N N 15 120.127 0.400 A 91 SER H H 1 8.222 0.020 A 91 SER HA H 1 4.439 0.020 A 91 SER HB2 H 1 3.837 0.020 A 91 SER HB3 H 1 3.837 0.020 A 91 SER C C 13 173.932 0.400 A 91 SER CA C 13 58.189 0.400 A 91 SER CB C 13 63.706 0.400 A 91 SER N N 15 118.678 0.400 A 92 LYS H H 1 8.165 0.020 A 92 LYS HA H 1 4.607 0.020 A 92 LYS HBy H 1 1.821 0.020 A 92 LYS HBx H 1 1.733 0.020 A 92 LYS HD2 H 1 1.680 0.020 A 92 LYS HD3 H 1 1.680 0.020 A 92 LYS HE2 H 1 2.988 0.020 A 92 LYS HE3 H 1 2.988 0.020 A 92 LYS HG2 H 1 1.447 0.020 A 92 LYS HG3 H 1 1.447 0.020 A 92 LYS C C 13 174.395 0.400 A 92 LYS CA C 13 54.272 0.400 A 92 LYS CB C 13 32.646 0.400 A 92 LYS CD C 13 29.209 0.400 A 92 LYS CE C 13 42.182 0.400 A 92 LYS CG C 13 24.451 0.400 A 92 LYS N N 15 124.547 0.400 A 93 PRO HA H 1 4.419 0.020 A 93 PRO HBx H 1 1.952 0.020 A 93 PRO HBy H 1 2.287 0.020 A 93 PRO HDy H 1 3.832 0.020 A 93 PRO HDx H 1 3.727 0.020 A 93 PRO HG2 H 1 2.022 0.020 A 93 PRO HG3 H 1 2.022 0.020 A 93 PRO C C 13 176.194 0.400 A 93 PRO CA C 13 63.418 0.400 A 93 PRO CB C 13 31.896 0.400 A 93 PRO CD C 13 50.693 0.400 A 93 PRO CG C 13 27.345 0.400 A 94 GLN H H 1 8.056 0.020 A 94 GLN HA H 1 4.142 0.020 A 94 GLN HBy H 1 2.118 0.020 A 94 GLN HBx H 1 1.907 0.020 A 94 GLN HE2x H 1 6.875 0.020 A 94 GLN HE2y H 1 7.533 0.020 A 94 GLN HG2 H 1 2.335 0.020 A 94 GLN HG3 H 1 2.335 0.020 A 94 GLN C C 13 180.664 0.400 A 94 GLN CA C 13 57.310 0.400 A 94 GLN CB C 13 30.554 0.400 A 94 GLN CG C 13 34.255 0.400 A 94 GLN N N 15 125.754 0.400 A 94 GLN NE2 N 15 112.444 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _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 9 LEU H A 9 LEU HB2 1.0 0.0 4.11 2 1 A 9 LEU H A 9 LEU HB3 1.0 0.0 4.11 3 2 A 9 LEU H A 9 LEU HG 1.0 0.0 4.48 4 3 A 33 VAL HA A 34 ASP H 1.0 0.0 3.39 5 4 A 34 ASP H A 34 ASP HBy 1.0 0.0 4.15 6 5 A 34 ASP H A 34 ASP HBx 1.0 0.0 4.15 7 6 A 34 ASP H A 33 VAL HG1% 1.0 0.0 4.73 8 7 A 34 ASP H A 33 VAL HG2% 1.0 0.0 5.04 9 8 A 79 GLU H A 79 GLU HGy 1.0 0.0 5.04 10 9 A 29 PRO HA A 30 ALA H 1.0 0.0 3.34 11 10 A 30 ALA H A 29 PRO HBy 1.0 0.0 4.78 12 11 A 30 ALA H A 29 PRO HBx 1.0 0.0 4.78 13 12 A 54 LEU HA A 55 LEU H 1.0 0.0 3.24 14 13 A 31 LEU H A 31 LEU HB2 1.0 0.0 3.61 15 13 A 31 LEU H A 31 LEU HB3 1.0 0.0 3.61 16 14 A 31 LEU HA A 32 ILE H 1.0 0.0 3.35 17 15 A 32 ILE H A 32 ILE HB 1.0 0.0 3.96 18 16 A 32 ILE H A 31 LEU HB2 1.0 0.0 4.78 19 16 A 31 LEU HB3 A 32 ILE H 1.0 0.0 4.78 20 17 A 32 ILE H A 32 ILE HG1x 1.0 0.0 5.00 21 18 A 32 ILE H A 32 ILE HG2% 1.0 0.0 4.82 22 19 A 32 ILE H A 32 ILE HD1% 1.0 0.0 4.98 23 20 A 32 ILE HA A 33 VAL H 1.0 0.0 3.21 24 21 A 33 VAL H A 33 VAL HB 1.0 0.0 4.02 25 22 A 33 VAL HG1% A 33 VAL H 1.0 0.0 4.67 26 23 A 36 LEU H A 37 MET H 1.0 0.0 3.94 27 24 A 36 LEU H A 36 LEU HG 1.0 0.0 5.07 28 25 A 36 LEU H A 36 LEU HD2% 1.0 0.0 4.73 29 26 A 37 MET H A 37 MET HB2 1.0 0.0 3.98 30 26 A 37 MET H A 37 MET HB3 1.0 0.0 3.98 31 27 A 37 MET HA A 38 LYS H 1.0 0.0 3.63 32 28 A 38 LYS H A 38 LYS HB2 1.0 0.0 3.98 33 28 A 38 LYS H A 38 LYS HB3 1.0 0.0 3.98 34 29 A 38 LYS HA A 39 TYR H 1.0 0.0 3.50 35 30 A 90 VAL H A 90 VAL HB 1.0 0.0 3.84 36 31 A 69 LEU H A 69 LEU HG 1.0 0.0 4.35 37 32 A 90 VAL H A 90 VAL HG1% 1.0 0.0 4.33 38 33 A 40 ILE H A 40 ILE HB 1.0 0.0 4.11 39 34 A 40 ILE H A 40 ILE HG1y 1.0 0.0 4.62 40 35 A 40 ILE HA A 41 CYS H 1.0 0.0 3.70 41 36 A 42 HIS H A 63 TYR HA 1.0 0.0 4.57 42 37 A 42 HIS H A 41 CYS HA 1.0 0.0 3.54 43 38 A 42 HIS H A 42 HIS HBy 1.0 0.0 4.11 44 39 A 43 ILE H A 43 ILE HB 1.0 0.0 3.82 45 40 A 43 ILE H A 43 ILE HG1y 1.0 0.0 4.57 46 41 A 43 ILE H A 43 ILE HG1x 1.0 0.0 4.57 47 42 A 43 ILE H A 43 ILE HG2% 1.0 0.0 4.78 48 43 A 43 ILE H A 43 ILE HD1% 1.0 0.0 5.19 49 44 A 43 ILE H A 44 CYS H 1.0 0.0 3.79 50 45 A 44 CYS H A 45 ASN H 1.0 0.0 3.94 51 46 A 43 ILE HB A 44 CYS H 1.0 0.0 3.78 52 47 A 43 ILE HG2% A 44 CYS H 1.0 0.0 4.24 53 48 A 47 GLY H A 48 ASP H 1.0 0.0 4.24 54 49 A 45 ASN H A 46 ARG H 1.0 0.0 3.49 55 50 A 84 ARG H A 85 CYS H 1.0 0.0 3.62 56 51 A 84 ARG H A 84 ARG HB2 1.0 0.0 3.48 57 51 A 84 ARG H A 84 ARG HB3 1.0 0.0 3.48 58 52 A 45 ASN H A 40 ILE HG2% 1.0 0.0 4.46 59 53 A 48 ASP H A 46 ARG HBy 1.0 0.0 4.67 60 54 A 48 ASP H A 46 ARG HBx 1.0 0.0 4.67 61 55 A 49 VAL H A 50 GLU H 1.0 0.0 4.14 62 56 A 49 VAL H A 48 ASP HBy 1.0 0.0 4.19 63 57 A 50 GLU H A 51 GLU H 1.0 0.0 4.56 64 58 A 50 GLU H A 49 VAL HA 1.0 0.0 3.72 65 59 A 50 GLU H A 50 GLU HG2 1.0 0.0 3.97 66 59 A 50 GLU H A 50 GLU HG3 1.0 0.0 3.97 67 60 A 50 GLU H A 50 GLU HBy 1.0 0.0 4.35 68 61 A 50 GLU H A 49 VAL HG1% 1.0 0.0 4.82 69 62 A 51 GLU H A 52 SER H 1.0 0.0 4.39 70 63 A 52 SER H A 53 MET H 1.0 0.0 3.81 71 64 A 52 SER H A 52 SER HB2 1.0 0.0 4.05 72 64 A 52 SER H A 52 SER HB3 1.0 0.0 4.05 73 65 A 49 VAL HG1% A 52 SER H 1.0 0.0 4.37 74 66 A 57 ASP H A 58 GLY H 1.0 0.0 4.37 75 67 A 57 ASP H A 81 LEU HA 1.0 0.0 4.87 76 68 A 57 ASP H A 57 ASP HBx 1.0 0.0 4.03 77 69 A 57 ASP H A 81 LEU HD2% 1.0 0.0 4.38 78 70 A 58 GLY H A 59 CYS H 1.0 0.0 3.81 79 71 A 59 CYS H A 56 CYS HBy 1.0 0.0 5.12 80 72 A 60 ASP H A 61 ASP H 1.0 0.0 4.43 81 73 A 60 ASP H A 59 CYS HBy 1.0 0.0 4.91 82 74 A 61 ASP H A 61 ASP HB2 1.0 0.0 4.22 83 75 A 61 ASP HB3 A 62 SER H 1.0 0.0 4.29 84 76 A 63 TYR H A 63 TYR HD% 1.0 0.0 4.80 85 77 A 63 TYR H A 62 SER HA 1.0 0.0 3.51 86 78 A 65 THR H A 65 THR HG2% 1.0 0.0 3.85 87 79 A 65 THR H A 66 PHE H 1.0 0.0 4.35 88 80 A 66 PHE H A 66 PHE HD% 1.0 0.0 3.89 89 81 A 66 PHE H A 65 THR HB 1.0 0.0 4.80 90 82 A 66 PHE H A 64 HIS HBy 1.0 0.0 4.11 91 83 A 66 PHE H A 64 HIS HBx 1.0 0.0 4.11 92 84 A 65 THR HG2% A 66 PHE H 1.0 0.0 4.84 93 85 A 66 PHE H A 67 CYS H 1.0 0.0 3.57 94 86 A 67 CYS H A 64 HIS HBy 1.0 0.0 4.70 95 87 A 67 CYS H A 64 HIS HBx 1.0 0.0 4.70 96 88 A 67 CYS H A 68 LEU H 1.0 0.0 3.46 97 89 A 68 LEU H A 68 LEU HG 1.0 0.0 3.40 98 90 A 68 LEU H A 68 LEU HD1% 1.0 0.0 4.39 99 91 A 68 LEU H A 68 LEU HD2% 1.0 0.0 4.53 100 92 A 69 LEU H A 68 LEU HA 1.0 0.0 3.16 101 93 A 69 LEU H A 68 LEU HD2% 1.0 0.0 4.46 102 94 A 71 PRO HA A 72 LEU H 1.0 0.0 3.36 103 95 A 65 THR HB A 72 LEU H 1.0 0.0 4.32 104 96 A 72 LEU H A 72 LEU HG 1.0 0.0 3.99 105 97 A 72 LEU H A 72 LEU HB2 1.0 0.0 3.82 106 98 A 72 LEU H A 72 LEU HD2% 1.0 0.0 4.38 107 99 A 73 THR H A 74 SER H 1.0 0.0 4.27 108 100 A 74 SER H A 72 LEU HB3 1.0 0.0 4.22 109 101 A 74 SER HA A 75 ILE H 1.0 0.0 3.32 110 102 A 75 ILE H A 74 SER HBx 1.0 0.0 4.09 111 103 A 75 ILE H A 75 ILE HB 1.0 0.0 3.44 112 104 A 75 ILE H A 75 ILE HG1y 1.0 0.0 4.05 113 105 A 75 ILE H A 75 ILE HG1x 1.0 0.0 4.05 114 106 A 75 ILE H A 75 ILE HG2% 1.0 0.0 4.58 115 107 A 75 ILE H A 75 ILE HD1% 1.0 0.0 4.80 116 108 A 77 LYS H A 78 GLY H 1.0 0.0 4.32 117 109 A 72 LEU HD2% A 80 TRP HE1 1.0 0.0 4.21 118 110 A 80 TRP HE1 A 72 LEU HD1% 1.0 0.0 4.11 119 111 A 80 TRP H A 76 PRO HG2 1.0 0.0 5.39 120 111 A 76 PRO HG3 A 80 TRP H 1.0 0.0 5.39 121 112 A 80 TRP HA A 81 LEU H 1.0 0.0 3.30 122 113 A 81 LEU H A 81 LEU HG 1.0 0.0 4.35 123 114 A 81 LEU H A 81 LEU HBy 1.0 0.0 4.17 124 115 A 81 LEU H A 81 LEU HBx 1.0 0.0 4.17 125 116 A 81 LEU HA A 82 CYS H 1.0 0.0 3.44 126 117 A 81 LEU HD2% A 82 CYS H 1.0 0.0 4.41 127 118 A 85 CYS H A 85 CYS HBy 1.0 0.0 4.25 128 119 A 85 CYS H A 85 CYS HBx 1.0 0.0 4.25 129 120 A 85 CYS H A 84 ARG HB2 1.0 0.0 3.91 130 120 A 85 CYS H A 84 ARG HB3 1.0 0.0 3.91 131 121 A 85 CYS H A 86 VAL HG2% 1.0 0.0 4.83 132 122 A 85 CYS H A 86 VAL H 1.0 0.0 3.55 133 123 A 86 VAL H A 86 VAL HB 1.0 0.0 3.59 134 124 A 86 VAL HG2% A 86 VAL H 1.0 0.0 3.44 135 125 A 86 VAL H A 87 VAL H 1.0 0.0 3.78 136 126 A 87 VAL H A 84 ARG HA 1.0 0.0 4.88 137 127 A 87 VAL H A 86 VAL HA 1.0 0.0 3.56 138 128 A 87 VAL H A 87 VAL HB 1.0 0.0 3.75 139 129 A 86 VAL HB A 87 VAL H 1.0 0.0 4.14 140 130 A 87 VAL H A 87 VAL HG2% 1.0 0.0 3.59 141 131 A 87 VAL H A 86 VAL HG1% 1.0 0.0 4.43 142 132 A 86 VAL HG2% A 87 VAL H 1.0 0.0 4.80 143 133 A 87 VAL H A 88 GLU H 1.0 0.0 3.77 144 134 A 88 GLU H A 87 VAL HA 1.0 0.0 3.49 145 135 A 88 GLU H A 88 GLU HGy 1.0 0.0 4.37 146 136 A 88 GLU H A 88 GLU HBy 1.0 0.0 4.02 147 137 A 88 GLU H A 88 GLU HBx 1.0 0.0 4.02 148 138 A 88 GLU H A 87 VAL HG1% 1.0 0.0 4.75 149 139 A 87 VAL HG2% A 88 GLU H 1.0 0.0 5.07 150 140 A 88 GLU HA A 89 GLU H 1.0 0.0 3.36 151 141 A 91 SER H A 91 SER HB2 1.0 0.0 4.24 152 141 A 91 SER H A 91 SER HB3 1.0 0.0 4.24 153 142 A 90 VAL HG1% A 91 SER H 1.0 0.0 4.79 154 143 A 91 SER H A 90 VAL HG2% 1.0 0.0 5.27 155 144 A 93 PRO HA A 94 GLN H 1.0 0.0 3.61 156 145 A 10 ALA H A 9 LEU HB2 1.0 0.0 5.29 157 145 A 9 LEU HB3 A 10 ALA H 1.0 0.0 5.29 158 146 A 32 ILE H A 32 ILE HG1y 1.0 0.0 5.00 159 147 A 34 ASP H A 33 VAL HB 1.0 0.0 4.96 160 148 A 37 MET H A 36 LEU HBx 1.0 0.0 5.22 161 149 A 37 MET H A 38 LYS HB2 1.0 0.0 5.78 162 149 A 37 MET H A 38 LYS HB3 1.0 0.0 5.78 163 150 A 37 MET H A 36 LEU HBy 1.0 0.0 5.22 164 151 A 38 LYS H A 37 MET HB2 1.0 0.0 5.09 165 151 A 37 MET HB3 A 38 LYS H 1.0 0.0 5.09 166 152 A 40 ILE H A 40 ILE HG1x 1.0 0.0 4.62 167 153 A 41 CYS H A 44 CYS H 1.0 0.0 4.85 168 154 A 42 HIS H A 42 HIS HD2 1.0 0.0 5.08 169 155 A 43 ILE H A 45 ASN H 1.0 0.0 5.09 170 156 A 43 ILE H A 42 HIS HBy 1.0 0.0 5.07 171 157 A 43 ILE H A 42 HIS HBx 1.0 0.0 5.07 172 158 A 59 CYS H A 56 CYS HBx 1.0 0.0 5.12 173 159 A 60 ASP H A 59 CYS HBx 1.0 0.0 4.91 174 160 A 61 ASP HB2 A 62 SER H 1.0 0.0 5.11 175 161 A 68 LEU HG A 64 HIS H 1.0 0.0 5.13 176 162 A 67 CYS H A 65 THR HA 1.0 0.0 5.34 177 163 A 68 LEU H A 67 CYS HBx 1.0 0.0 5.02 178 164 A 78 GLY H A 76 PRO HG2 1.0 0.0 5.78 179 164 A 78 GLY H A 76 PRO HG3 1.0 0.0 5.78 180 165 A 81 LEU H A 81 LEU HD1% 1.0 0.0 5.02 181 166 A 81 LEU HD2% A 81 LEU H 1.0 0.0 5.40 182 167 A 87 VAL HB A 88 GLU H 1.0 0.0 4.14 183 168 A 88 GLU H A 88 GLU HGx 1.0 0.0 4.37 184 169 A 71 PRO HD3 A 70 PRO HBx 1.0 0.0 4.13 185 169 A 70 PRO HBx A 71 PRO HD2 1.0 0.0 4.13 186 170 A 71 PRO HA A 72 LEU HG 1.0 0.0 3.75 187 171 A 69 LEU HA A 69 LEU HD2% 1.0 0.0 4.13 188 172 A 36 LEU HD2% A 36 LEU HA 1.0 0.0 3.95 189 173 A 13 THR HA A 13 THR HG2% 1.0 0.0 4.42 190 174 A 30 ALA H A 30 ALA HB% 1.0 0.0 3.80 191 175 A 77 LYS HA A 77 LYS HG2 1.0 0.0 4.41 192 175 A 77 LYS HA A 77 LYS HG3 1.0 0.0 4.41 193 176 A 24 LYS HD2 A 24 LYS HG2 1.0 0.0 3.14 194 176 A 24 LYS HD3 A 24 LYS HG2 1.0 0.0 3.14 195 176 A 24 LYS HG3 A 24 LYS HD2 1.0 0.0 3.14 196 176 A 24 LYS HG3 A 24 LYS HD3 1.0 0.0 3.14 197 177 A 27 GLU HA A 28 PRO HDy 1.0 0.0 3.52 198 178 A 77 LYS H A 76 PRO HA 1.0 0.0 3.34 199 179 A 75 ILE HA A 76 PRO HDy 1.0 0.0 3.52 200 180 A 75 ILE HG2% A 76 PRO HDy 1.0 0.0 4.23 201 181 A 54 LEU HD2% A 76 PRO HDy 1.0 0.0 4.22 202 182 A 75 ILE HA A 76 PRO HDx 1.0 0.0 3.52 203 183 A 75 ILE HG2% A 76 PRO HDx 1.0 0.0 4.23 204 184 A 54 LEU HD2% A 76 PRO HDx 1.0 0.0 4.22 205 185 A 54 LEU HD1% A 76 PRO HDx 1.0 0.0 4.86 206 186 A 66 PHE HA A 71 PRO HBx 1.0 0.0 4.25 207 187 A 31 LEU H A 30 ALA HA 1.0 0.0 3.49 208 188 A 31 LEU HA A 31 LEU HD1% 1.0 0.0 4.70 209 189 A 32 ILE HG2% A 32 ILE HA 1.0 0.0 4.19 210 190 A 32 ILE HD1% A 32 ILE HA 1.0 0.0 4.81 211 191 A 33 VAL HA A 33 VAL HG1% 1.0 0.0 4.04 212 192 A 33 VAL HA A 33 VAL HG2% 1.0 0.0 4.36 213 193 A 33 VAL HG2% A 33 VAL H 1.0 0.0 4.21 214 194 A 36 LEU H A 35 PRO HA 1.0 0.0 3.60 215 195 A 27 GLU HA A 28 PRO HDx 1.0 0.0 3.52 216 196 A 37 MET H A 37 MET HG2 1.0 0.0 4.89 217 196 A 37 MET H A 37 MET HG3 1.0 0.0 4.89 218 197 A 40 ILE H A 39 TYR HA 1.0 0.0 3.39 219 198 A 40 ILE HA A 40 ILE HD1% 1.0 0.0 4.40 220 199 A 41 CYS H A 40 ILE HG2% 1.0 0.0 4.19 221 200 A 40 ILE HA A 40 ILE HG2% 1.0 0.0 4.27 222 201 A 40 ILE HG2% A 40 ILE HG1y 1.0 0.0 4.44 223 202 A 40 ILE HG2% A 40 ILE HG1x 1.0 0.0 4.44 224 203 A 44 CYS H A 41 CYS HBy 1.0 0.0 4.75 225 204 A 41 CYS H A 41 CYS HBy 1.0 0.0 4.16 226 205 A 41 CYS H A 41 CYS HBx 1.0 0.0 4.16 227 206 A 42 HIS H A 42 HIS HBx 1.0 0.0 4.11 228 207 A 63 TYR HE% A 82 CYS HBx 1.0 0.0 5.78 229 208 A 43 ILE HG2% A 43 ILE HA 1.0 0.0 3.80 230 209 A 43 ILE HD1% A 43 ILE HA 1.0 0.0 4.65 231 210 A 43 ILE HD1% A 68 LEU HA 1.0 0.0 4.91 232 211 A 40 ILE HG2% A 45 ASN HA 1.0 0.0 3.64 233 212 A 53 MET HE% A 47 GLY HAy 1.0 0.0 4.89 234 213 A 49 VAL H A 48 ASP HBx 1.0 0.0 4.19 235 214 A 49 VAL H A 49 VAL HG2% 1.0 0.0 3.98 236 215 A 49 VAL HG2% A 66 PHE HE% 1.0 0.0 4.74 237 216 A 49 VAL HA A 49 VAL HG2% 1.0 0.0 4.05 238 217 A 49 VAL HG2% A 48 ASP HBx 1.0 0.0 4.86 239 218 A 49 VAL HG1% A 66 PHE HZ 1.0 0.0 4.54 240 219 A 49 VAL HG1% A 52 SER HA 1.0 0.0 4.68 241 220 A 49 VAL HA A 49 VAL HG1% 1.0 0.0 3.54 242 221 A 66 PHE HE% A 49 VAL HB 1.0 0.0 4.87 243 222 A 53 MET H A 50 GLU HA 1.0 0.0 4.64 244 223 A 53 MET HE% A 50 GLU HA 1.0 0.0 4.57 245 224 A 50 GLU H A 50 GLU HBx 1.0 0.0 4.35 246 225 A 50 GLU HA A 50 GLU HG2 1.0 0.0 3.96 247 225 A 50 GLU HG3 A 50 GLU HA 1.0 0.0 3.96 248 226 A 66 PHE HE% A 52 SER HB2 1.0 0.0 4.46 249 226 A 52 SER HB3 A 66 PHE HE% 1.0 0.0 4.46 250 227 A 49 VAL HG1% A 52 SER HB2 1.0 0.0 3.93 251 227 A 49 VAL HG1% A 52 SER HB3 1.0 0.0 3.93 252 228 A 41 CYS H A 53 MET HE% 1.0 0.0 4.23 253 229 A 53 MET HE% A 53 MET HA 1.0 0.0 4.71 254 230 A 40 ILE HA A 53 MET HE% 1.0 0.0 4.13 255 231 A 53 MET HE% A 47 GLY HAx 1.0 0.0 4.89 256 232 A 53 MET HE% A 53 MET HG2 1.0 0.0 3.98 257 232 A 53 MET HE% A 53 MET HG3 1.0 0.0 3.98 258 233 A 75 ILE HG2% A 54 LEU HD1% 1.0 0.0 4.84 259 234 A 54 LEU HA A 54 LEU HD2% 1.0 0.0 3.93 260 235 A 75 ILE HA A 54 LEU HD2% 1.0 0.0 4.75 261 236 A 75 ILE HG2% A 54 LEU HD2% 1.0 0.0 4.00 262 237 A 55 LEU HA A 55 LEU HD1% 1.0 0.0 4.49 263 238 A 55 LEU HD1% A 56 CYS HA 1.0 0.0 4.67 264 239 A 55 LEU HA A 55 LEU HD2% 1.0 0.0 4.70 265 240 A 81 LEU HD2% A 57 ASP HBx 1.0 0.0 4.70 266 241 A 57 ASP H A 57 ASP HBy 1.0 0.0 4.03 267 242 A 81 LEU HD2% A 57 ASP HBy 1.0 0.0 4.70 268 243 A 62 SER H A 61 ASP HA 1.0 0.0 3.70 269 244 A 62 SER HA A 55 LEU HD2% 1.0 0.0 4.75 270 245 A 63 TYR HA A 41 CYS HA 1.0 0.0 4.57 271 246 A 65 THR H A 64 HIS HA 1.0 0.0 3.72 272 247 A 65 THR HB A 72 LEU HB2 1.0 0.0 4.41 273 248 A 65 THR HA A 54 LEU HD1% 1.0 0.0 4.79 274 249 A 65 THR HG2% A 65 THR HA 1.0 0.0 3.90 275 250 A 65 THR HG2% A 54 LEU HD2% 1.0 0.0 4.20 276 251 A 65 THR HG2% A 54 LEU HD1% 1.0 0.0 4.00 277 252 A 43 ILE HB A 67 CYS HBy 1.0 0.0 4.59 278 253 A 43 ILE HB A 67 CYS HBx 1.0 0.0 4.59 279 254 A 68 LEU HD1% A 65 THR HA 1.0 0.0 4.06 280 255 A 68 LEU HD1% A 54 LEU HD1% 1.0 0.0 4.35 281 256 A 68 LEU HD2% A 68 LEU HA 1.0 0.0 3.92 282 257 A 69 LEU H A 69 LEU HBx 1.0 0.0 4.40 283 258 A 69 LEU HA A 70 PRO HA 1.0 0.0 3.30 284 259 A 70 PRO HA A 71 PRO HD2 1.0 0.0 3.33 285 259 A 71 PRO HD3 A 70 PRO HA 1.0 0.0 3.33 286 260 A 71 PRO HD3 A 70 PRO HBy 1.0 0.0 4.13 287 260 A 70 PRO HBy A 71 PRO HD2 1.0 0.0 4.13 288 261 A 69 LEU HA A 71 PRO HD2 1.0 0.0 4.23 289 261 A 71 PRO HD3 A 69 LEU HA 1.0 0.0 4.23 290 262 A 72 LEU H A 71 PRO HBx 1.0 0.0 4.80 291 263 A 72 LEU HD1% A 76 PRO HDy 1.0 0.0 5.01 292 264 A 72 LEU HD1% A 54 LEU HD1% 1.0 0.0 3.87 293 265 A 72 LEU HD2% A 72 LEU HA 1.0 0.0 3.99 294 266 A 72 LEU HD2% A 72 LEU HB3 1.0 0.0 4.18 295 267 A 73 THR HA A 73 THR HG2% 1.0 0.0 3.95 296 268 A 11 THR HA A 11 THR HG2% 1.0 0.0 3.95 297 269 A 75 ILE H A 74 SER HBy 1.0 0.0 4.09 298 270 A 65 THR HG2% A 75 ILE HA 1.0 0.0 5.37 299 271 A 75 ILE HD1% A 75 ILE HA 1.0 0.0 4.20 300 272 A 75 ILE HG2% A 75 ILE HA 1.0 0.0 4.01 301 273 A 65 THR HG2% A 75 ILE HG2% 1.0 0.0 4.77 302 274 A 80 TRP H A 79 GLU HA 1.0 0.0 3.34 303 275 A 86 VAL HA A 81 LEU HD1% 1.0 0.0 4.84 304 276 A 58 GLY H A 81 LEU HD2% 1.0 0.0 4.20 305 277 A 81 LEU HA A 81 LEU HD2% 1.0 0.0 3.81 306 278 A 81 LEU HD2% A 58 GLY HAy 1.0 0.0 4.60 307 279 A 81 LEU HD2% A 58 GLY HAx 1.0 0.0 4.60 308 280 A 82 CYS HA A 83 PRO HDy 1.0 0.0 4.26 309 281 A 68 LEU HD2% A 82 CYS HA 1.0 0.0 5.45 310 282 A 86 VAL HG2% A 82 CYS HA 1.0 0.0 5.78 311 283 A 86 VAL HB A 83 PRO HA 1.0 0.0 4.39 312 284 A 86 VAL HG2% A 83 PRO HA 1.0 0.0 3.71 313 285 A 68 LEU HD2% A 83 PRO HDy 1.0 0.0 4.96 314 286 A 82 CYS HA A 83 PRO HDx 1.0 0.0 4.26 315 287 A 68 LEU HD2% A 83 PRO HDx 1.0 0.0 4.96 316 288 A 84 ARG HA A 84 ARG HGy 1.0 0.0 4.39 317 289 A 84 ARG HA A 84 ARG HGx 1.0 0.0 4.39 318 290 A 94 GLN HBx A 94 GLN HG2 1.0 0.0 2.87 319 290 A 94 GLN HBx A 94 GLN HG3 1.0 0.0 2.87 320 291 A 84 ARG HB2 A 84 ARG HD2 1.0 0.0 3.77 321 291 A 84 ARG HB3 A 84 ARG HD2 1.0 0.0 3.77 322 291 A 84 ARG HD3 A 84 ARG HB2 1.0 0.0 3.77 323 291 A 84 ARG HB3 A 84 ARG HD3 1.0 0.0 3.77 324 292 A 81 LEU HD2% A 85 CYS HBy 1.0 0.0 4.91 325 293 A 81 LEU HD2% A 85 CYS HBx 1.0 0.0 4.91 326 294 A 86 VAL HA A 86 VAL HG1% 1.0 0.0 3.68 327 295 A 86 VAL HG2% A 86 VAL HA 1.0 0.0 3.60 328 296 A 86 VAL H A 86 VAL HG1% 1.0 0.0 4.15 329 297 A 86 VAL HG1% A 83 PRO HA 1.0 0.0 4.36 330 298 A 87 VAL HA A 87 VAL HG1% 1.0 0.0 3.71 331 299 A 90 VAL H A 90 VAL HG2% 1.0 0.0 4.05 332 300 A 84 ARG HA A 87 VAL HG2% 1.0 0.0 4.29 333 301 A 87 VAL HG2% A 87 VAL HA 1.0 0.0 3.69 334 302 A 87 VAL H A 87 VAL HG1% 1.0 0.0 4.45 335 303 A 90 VAL HG1% A 90 VAL HA 1.0 0.0 4.05 336 304 A 90 VAL HG2% A 90 VAL HA 1.0 0.0 4.42 337 305 A 94 GLN HBy A 94 GLN HG2 1.0 0.0 2.87 338 305 A 94 GLN HG3 A 94 GLN HBy 1.0 0.0 2.87 339 306 A 75 ILE HD1% A 54 LEU HD2% 1.0 0.0 4.65 340 307 A 73 THR H A 73 THR HG2% 1.0 0.0 4.82 341 308 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.92 342 308 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.92 343 309 A 54 LEU HD1% A 76 PRO HDy 1.0 0.0 4.86 344 310 A 68 LEU HD2% A 83 PRO HGy 1.0 0.0 4.94 345 311 A 31 LEU H A 30 ALA HB% 1.0 0.0 4.47 346 312 A 70 PRO HA A 69 LEU HBy 1.0 0.0 5.62 347 313 A 70 PRO HA A 69 LEU HBx 1.0 0.0 5.62 348 314 A 69 LEU HG A 70 PRO HA 1.0 0.0 5.76 349 315 A 63 TYR HE% A 82 CYS HBy 1.0 0.0 5.78 350 316 A 39 TYR H A 38 LYS HB2 1.0 0.0 4.75 351 316 A 38 LYS HB3 A 39 TYR H 1.0 0.0 4.75 352 317 A 49 VAL HG2% A 48 ASP HBy 1.0 0.0 4.86 353 318 A 66 PHE HA A 71 PRO HBy 1.0 0.0 4.25 354 319 A 84 ARG HA A 84 ARG HD2 1.0 0.0 4.56 355 319 A 84 ARG HA A 84 ARG HD3 1.0 0.0 4.56 356 320 A 72 LEU H A 71 PRO HBy 1.0 0.0 4.80 357 321 A 85 CYS HA A 84 ARG HB2 1.0 0.0 4.61 358 321 A 84 ARG HB3 A 85 CYS HA 1.0 0.0 4.61 359 322 A 72 LEU HB2 A 72 LEU HD1% 1.0 0.0 4.29 360 323 A 72 LEU HB2 A 65 THR HA 1.0 0.0 4.74 361 324 A 43 ILE HD1% A 68 LEU HD1% 1.0 0.0 4.55 362 325 A 68 LEU H A 67 CYS HBy 1.0 0.0 5.02 363 326 A 72 LEU HD1% A 54 LEU HD2% 1.0 0.0 4.68 364 327 A 86 VAL HG1% A 87 VAL HA 1.0 0.0 4.82 365 328 A 68 LEU HD2% A 83 PRO HGx 1.0 0.0 4.94 366 329 A 54 LEU HD2% A 76 PRO HG2 1.0 0.0 4.77 367 329 A 76 PRO HG3 A 54 LEU HD2% 1.0 0.0 4.77 368 330 A 72 LEU HD1% A 76 PRO HG2 1.0 0.0 4.76 369 330 A 72 LEU HD1% A 76 PRO HG3 1.0 0.0 4.76 370 331 A 69 LEU H A 69 LEU HBy 1.0 0.0 4.40 371 332 A 72 LEU HD1% A 76 PRO HDx 1.0 0.0 5.01 372 333 A 72 LEU HD2% A 65 THR HA 1.0 0.0 4.96 373 334 A 54 LEU H A 54 LEU HG 1.0 0.0 4.92 374 335 A 72 LEU HD1% A 65 THR HA 1.0 0.0 4.90 375 336 A 65 THR HB A 72 LEU HD1% 1.0 0.0 5.07 376 337 A 79 GLU H A 79 GLU HGx 1.0 0.0 5.04 377 338 A 87 VAL HG1% A 88 GLU HA 1.0 0.0 5.78 378 339 A 90 VAL HG2% A 89 GLU HA 1.0 0.0 5.78 379 340 A 40 ILE HD1% A 45 ASN HA 1.0 0.0 4.97 380 341 A 70 PRO HA A 69 LEU HD1% 1.0 0.0 4.85 381 342 A 65 THR HB A 72 LEU HB3 1.0 0.0 4.95 382 343 A 69 LEU HD2% A 70 PRO HA 1.0 0.0 4.89 383 344 A 44 CYS H A 41 CYS HBx 1.0 0.0 4.75 384 345 A 69 LEU HD2% A 71 PRO HD2 1.0 0.0 4.77 385 345 A 71 PRO HD3 A 69 LEU HD2% 1.0 0.0 4.77 386 346 A 31 LEU HA A 31 LEU HD2% 1.0 0.0 4.42 387 347 A 43 ILE HD1% A 68 LEU HD2% 1.0 0.0 4.42 388 348 A 61 ASP HB2 A 63 TYR HE% 1.0 0.0 3.29 389 349 A 55 LEU HD1% A 39 TYR HE% 1.0 0.0 3.86 390 350 A 39 TYR H A 39 TYR HD% 1.0 0.0 3.52 391 351 A 39 TYR HA A 39 TYR HD% 1.0 0.0 3.24 392 352 A 55 LEU HD1% A 39 TYR HD% 1.0 0.0 4.71 393 353 A 61 ASP HB3 A 63 TYR HE% 1.0 0.0 3.20 394 354 A 63 TYR HE% A 43 ILE HG1y 1.0 0.0 3.83 395 355 A 63 TYR HE% A 43 ILE HG1x 1.0 0.0 3.83 396 356 A 43 ILE HD1% A 63 TYR HE% 1.0 0.0 3.51 397 357 A 63 TYR HD% A 80 TRP HH2 1.0 0.0 3.78 398 358 A 63 TYR HD% A 62 SER HA 1.0 0.0 4.01 399 359 A 63 TYR HD% A 68 LEU HG 1.0 0.0 3.84 400 360 A 43 ILE HD1% A 63 TYR HD% 1.0 0.0 3.62 401 361 A 63 TYR HD% A 68 LEU HD2% 1.0 0.0 3.55 402 362 A 64 HIS HA A 64 HIS HD2 1.0 0.0 4.02 403 363 A 64 HIS HD2 A 52 SER HB2 1.0 0.0 3.97 404 363 A 52 SER HB3 A 64 HIS HD2 1.0 0.0 3.97 405 364 A 49 VAL HG1% A 66 PHE HE% 1.0 0.0 3.93 406 365 A 66 PHE HZ A 49 VAL HB 1.0 0.0 4.08 407 366 A 49 VAL HG2% A 66 PHE HZ 1.0 0.0 3.79 408 367 A 80 TRP H A 80 TRP HE3 1.0 0.0 3.99 409 368 A 82 CYS HA A 80 TRP HZ2 1.0 0.0 3.78 410 369 A 68 LEU HD1% A 80 TRP HZ2 1.0 0.0 3.27 411 370 A 68 LEU HD2% A 80 TRP HZ2 1.0 0.0 4.02 412 371 A 81 LEU H A 80 TRP HD1 1.0 0.0 3.89 413 372 A 80 TRP HA A 80 TRP HD1 1.0 0.0 3.51 414 373 A 80 TRP HD1 A 76 PRO HG2 1.0 0.0 3.54 415 373 A 76 PRO HG3 A 80 TRP HD1 1.0 0.0 3.54 416 374 A 72 LEU HD1% A 80 TRP HD1 1.0 0.0 3.86 417 375 A 63 TYR HD% A 80 TRP HZ3 1.0 0.0 3.72 418 376 A 82 CYS HA A 80 TRP HH2 1.0 0.0 3.94 419 377 A 80 TRP HH2 A 63 TYR HBx 1.0 0.0 4.19 420 378 A 68 LEU HD1% A 80 TRP HH2 1.0 0.0 4.07 421 379 A 68 LEU HD2% A 80 TRP HH2 1.0 0.0 4.43 422 380 A 68 LEU HD2% A 63 TYR HE% 1.0 0.0 4.18 423 381 A 80 TRP HH2 A 63 TYR HBy 1.0 0.0 4.19 424 382 A 55 LEU HD2% A 39 TYR HD% 1.0 0.0 4.05 425 383 A 63 TYR HA A 63 TYR HD% 1.0 0.0 4.19 426 384 A 55 LEU HD2% A 39 TYR HE% 1.0 0.0 4.20 427 385 A 53 MET HE% A 64 HIS HD2 1.0 0.0 4.27 428 386 A 53 MET HE% A 64 HIS HE1 1.0 0.0 4.32 429 387 A 41 CYS SG B 1 ZN ZN 1.0 0.0 2.42 430 388 B 1 ZN ZN A 41 CYS CB 1.0 0.0 3.57 431 389 B 1 ZN ZN A 44 CYS SG 1.0 0.0 2.42 432 390 B 1 ZN ZN A 44 CYS CB 1.0 0.0 3.57 433 391 B 1 ZN ZN A 67 CYS SG 1.0 0.0 2.42 434 392 B 1 ZN ZN A 67 CYS CB 1.0 0.0 3.57 435 393 B 1 ZN ZN A 64 HIS ND1 1.0 0.0 2.42 436 394 A 41 CYS SG A 44 CYS SG 1.0 0.0 3.99 437 395 A 41 CYS SG A 67 CYS SG 1.0 0.0 3.99 438 396 A 41 CYS SG A 64 HIS ND1 1.0 0.0 3.99 439 397 A 44 CYS SG A 67 CYS SG 1.0 0.0 3.99 440 398 A 44 CYS SG A 64 HIS ND1 1.0 0.0 3.99 441 399 A 67 CYS SG A 64 HIS ND1 1.0 0.0 3.99 442 400 A 56 CYS SG 3 1 ZN ZN 1.0 0.0 2.42 443 401 3 1 ZN ZN A 56 CYS CB 1.0 0.0 3.57 444 402 3 1 ZN ZN A 59 CYS SG 1.0 0.0 2.42 445 403 3 1 ZN ZN A 59 CYS CB 1.0 0.0 3.57 446 404 3 1 ZN ZN A 82 CYS SG 1.0 0.0 2.42 447 405 3 1 ZN ZN A 82 CYS CB 1.0 0.0 3.57 448 406 3 1 ZN ZN A 85 CYS SG 1.0 0.0 2.42 449 407 3 1 ZN ZN A 85 CYS CB 1.0 0.0 3.57 450 408 A 56 CYS SG A 59 CYS SG 1.0 0.0 3.99 451 409 A 56 CYS SG A 82 CYS SG 1.0 0.0 3.99 452 410 A 56 CYS SG A 85 CYS SG 1.0 0.0 3.99 453 411 A 59 CYS SG A 82 CYS SG 1.0 0.0 3.99 454 412 A 59 CYS SG A 85 CYS SG 1.0 0.0 3.99 455 413 A 82 CYS SG A 85 CYS SG 1.0 0.0 3.99 456 414 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.85 457 414 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.85 458 415 A 32 ILE H A 32 ILE HG1x 1.0 0.0 4.35 459 415 A 32 ILE H A 32 ILE HG1y 1.0 0.0 4.35 460 416 A 34 ASP H A 34 ASP HBx 1.0 0.0 3.63 461 416 A 34 ASP H A 34 ASP HBy 1.0 0.0 3.63 462 417 A 34 ASP H A 35 PRO HDy 1.0 0.0 4.33 463 417 A 34 ASP H A 35 PRO HDx 1.0 0.0 4.33 464 418 A 34 ASP HA A 35 PRO HDy 1.0 0.0 3.12 465 418 A 35 PRO HDx A 34 ASP HA 1.0 0.0 3.12 466 419 A 36 LEU H A 35 PRO HBx 1.0 0.0 4.06 467 419 A 36 LEU H A 35 PRO HBy 1.0 0.0 4.06 468 420 A 36 LEU H A 35 PRO HDy 1.0 0.0 4.38 469 420 A 36 LEU H A 35 PRO HDx 1.0 0.0 4.38 470 421 A 36 LEU H A 36 LEU HBy 1.0 0.0 3.48 471 421 A 36 LEU H A 36 LEU HBx 1.0 0.0 3.48 472 422 A 37 MET H A 36 LEU HBy 1.0 0.0 4.55 473 422 A 37 MET H A 36 LEU HBx 1.0 0.0 4.55 474 423 A 38 LYS HB3 A 40 ILE HG1x 1.0 0.0 4.02 475 423 A 40 ILE HG1y A 38 LYS HB2 1.0 0.0 4.02 476 423 A 38 LYS HB3 A 40 ILE HG1y 1.0 0.0 4.02 477 423 A 38 LYS HB2 A 40 ILE HG1x 1.0 0.0 4.02 478 424 A 39 TYR H A 39 TYR HBx 1.0 0.0 3.79 479 424 A 39 TYR H A 39 TYR HBy 1.0 0.0 3.79 480 425 A 40 ILE H A 39 TYR HBx 1.0 0.0 4.66 481 425 A 40 ILE H A 39 TYR HBy 1.0 0.0 4.66 482 426 A 39 TYR HD% A 62 SER HBx 1.0 0.0 4.19 483 426 A 39 TYR HD% A 62 SER HBy 1.0 0.0 4.19 484 427 A 44 CYS H A 41 CYS HBx 1.0 0.0 4.04 485 427 A 44 CYS H A 41 CYS HBy 1.0 0.0 4.04 486 428 A 63 TYR HA A 41 CYS HBx 1.0 0.0 4.86 487 428 A 63 TYR HA A 41 CYS HBy 1.0 0.0 4.86 488 429 A 64 HIS HE1 A 41 CYS HBx 1.0 0.0 3.98 489 429 A 64 HIS HE1 A 41 CYS HBy 1.0 0.0 3.98 490 430 A 42 HIS H A 42 HIS HBy 1.0 0.0 3.50 491 430 A 42 HIS H A 42 HIS HBx 1.0 0.0 3.50 492 431 A 42 HIS HD2 A 42 HIS HBy 1.0 0.0 3.59 493 431 A 42 HIS HD2 A 42 HIS HBx 1.0 0.0 3.59 494 432 A 43 ILE H A 42 HIS HBy 1.0 0.0 4.39 495 432 A 43 ILE H A 42 HIS HBx 1.0 0.0 4.39 496 433 A 43 ILE H A 43 ILE HG1x 1.0 0.0 3.93 497 433 A 43 ILE H A 43 ILE HG1y 1.0 0.0 3.93 498 434 A 43 ILE HB A 67 CYS HBx 1.0 0.0 3.84 499 434 A 43 ILE HB A 67 CYS HBy 1.0 0.0 3.84 500 435 A 43 ILE HG2% A 67 CYS HBx 1.0 0.0 4.08 501 435 A 43 ILE HG2% A 67 CYS HBy 1.0 0.0 4.08 502 436 A 63 TYR HD% A 43 ILE HG1x 1.0 0.0 3.87 503 436 A 63 TYR HD% A 43 ILE HG1y 1.0 0.0 3.87 504 437 A 63 TYR HE% A 43 ILE HG1x 1.0 0.0 3.36 505 437 A 63 TYR HE% A 43 ILE HG1y 1.0 0.0 3.36 506 438 A 43 ILE HD1% A 67 CYS HBx 1.0 0.0 3.77 507 438 A 43 ILE HD1% A 67 CYS HBy 1.0 0.0 3.77 508 439 A 46 ARG H A 46 ARG HBy 1.0 0.0 3.78 509 439 A 46 ARG H A 46 ARG HBx 1.0 0.0 3.78 510 440 A 46 ARG H A 46 ARG HGy 1.0 0.0 4.01 511 440 A 46 ARG H A 46 ARG HGx 1.0 0.0 4.01 512 441 A 46 ARG H A 46 ARG HDy 1.0 0.0 4.24 513 441 A 46 ARG H A 46 ARG HDx 1.0 0.0 4.24 514 442 A 47 GLY H A 46 ARG HBy 1.0 0.0 4.46 515 442 A 47 GLY H A 46 ARG HBx 1.0 0.0 4.46 516 443 A 47 GLY H A 46 ARG HGy 1.0 0.0 5.61 517 443 A 47 GLY H A 46 ARG HGx 1.0 0.0 5.61 518 444 A 53 MET HE% A 47 GLY HAx 1.0 0.0 4.08 519 444 A 53 MET HE% A 47 GLY HAy 1.0 0.0 4.08 520 445 A 49 VAL H A 48 ASP HBx 1.0 0.0 3.59 521 445 A 49 VAL H A 48 ASP HBy 1.0 0.0 3.59 522 446 A 49 VAL HG2% A 48 ASP HBx 1.0 0.0 4.25 523 446 A 49 VAL HG2% A 48 ASP HBy 1.0 0.0 4.25 524 447 A 50 GLU H A 50 GLU HBy 1.0 0.0 3.72 525 447 A 50 GLU H A 50 GLU HBx 1.0 0.0 3.72 526 448 A 50 GLU HA A 53 MET HBx 1.0 0.0 4.08 527 448 A 50 GLU HA A 53 MET HBy 1.0 0.0 4.08 528 449 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.79 529 449 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.79 530 450 A 51 GLU HA A 51 GLU HGy 1.0 0.0 3.86 531 450 A 51 GLU HGx A 51 GLU HA 1.0 0.0 3.86 532 451 A 64 HIS HD2 A 53 MET HBx 1.0 0.0 4.25 533 451 A 64 HIS HD2 A 53 MET HBy 1.0 0.0 4.25 534 452 A 55 LEU H A 54 LEU HBx 1.0 0.0 4.03 535 452 A 55 LEU H A 54 LEU HBy 1.0 0.0 4.03 536 453 A 54 LEU HD1% A 76 PRO HDx 1.0 0.0 4.22 537 453 A 54 LEU HD1% A 76 PRO HDy 1.0 0.0 4.22 538 454 A 55 LEU H A 55 LEU HBy 1.0 0.0 3.56 539 454 A 55 LEU H A 55 LEU HBx 1.0 0.0 3.56 540 455 A 55 LEU HD2% A 62 SER HBx 1.0 0.0 4.69 541 455 A 55 LEU HD2% A 62 SER HBy 1.0 0.0 4.69 542 456 A 56 CYS H A 56 CYS HBx 1.0 0.0 3.87 543 456 A 56 CYS H A 56 CYS HBy 1.0 0.0 3.87 544 457 A 59 CYS H A 56 CYS HBx 1.0 0.0 4.23 545 457 A 59 CYS H A 56 CYS HBy 1.0 0.0 4.23 546 458 A 60 ASP H A 56 CYS HBx 1.0 0.0 4.42 547 458 A 60 ASP H A 56 CYS HBy 1.0 0.0 4.42 548 459 A 61 ASP H A 56 CYS HBx 1.0 0.0 4.22 549 459 A 61 ASP H A 56 CYS HBy 1.0 0.0 4.22 550 460 A 81 LEU HD2% A 56 CYS HBx 1.0 0.0 4.96 551 460 A 81 LEU HD2% A 56 CYS HBy 1.0 0.0 4.96 552 461 A 82 CYS H A 56 CYS HBx 1.0 0.0 4.30 553 461 A 82 CYS H A 56 CYS HBy 1.0 0.0 4.30 554 462 A 56 CYS HBx A 82 CYS HBy 1.0 0.0 3.90 555 462 A 56 CYS HBy A 82 CYS HBy 1.0 0.0 3.90 556 462 A 82 CYS HBx A 56 CYS HBx 1.0 0.0 3.90 557 462 A 56 CYS HBy A 82 CYS HBx 1.0 0.0 3.90 558 463 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.54 559 463 A 57 ASP H A 57 ASP HBy 1.0 0.0 3.54 560 464 A 81 LEU HD2% A 57 ASP HBx 1.0 0.0 4.04 561 464 A 81 LEU HD2% A 57 ASP HBy 1.0 0.0 4.04 562 465 A 81 LEU HD2% A 58 GLY HAx 1.0 0.0 4.01 563 465 A 81 LEU HD2% A 58 GLY HAy 1.0 0.0 4.01 564 466 A 60 ASP H A 59 CYS HBx 1.0 0.0 4.26 565 466 A 60 ASP H A 59 CYS HBy 1.0 0.0 4.26 566 467 A 60 ASP H A 60 ASP HBx 1.0 0.0 3.84 567 467 A 60 ASP H A 60 ASP HBy 1.0 0.0 3.84 568 468 A 61 ASP H A 60 ASP HBx 1.0 0.0 4.69 569 468 A 61 ASP H A 60 ASP HBy 1.0 0.0 4.69 570 469 A 63 TYR H A 62 SER HBx 1.0 0.0 4.59 571 469 A 63 TYR H A 62 SER HBy 1.0 0.0 4.59 572 470 A 63 TYR H A 63 TYR HBx 1.0 0.0 3.85 573 470 A 63 TYR H A 63 TYR HBy 1.0 0.0 3.85 574 471 A 68 LEU HD2% A 63 TYR HBx 1.0 0.0 4.61 575 471 A 68 LEU HD2% A 63 TYR HBy 1.0 0.0 4.61 576 472 A 80 TRP HH2 A 63 TYR HBx 1.0 0.0 3.64 577 472 A 80 TRP HH2 A 63 TYR HBy 1.0 0.0 3.64 578 473 A 63 TYR HE% A 82 CYS HBy 1.0 0.0 5.00 579 473 A 63 TYR HE% A 82 CYS HBx 1.0 0.0 5.00 580 474 A 64 HIS H A 67 CYS HBx 1.0 0.0 4.74 581 474 A 64 HIS H A 67 CYS HBy 1.0 0.0 4.74 582 475 A 67 CYS H A 64 HIS HBy 1.0 0.0 3.96 583 475 A 67 CYS H A 64 HIS HBx 1.0 0.0 3.96 584 476 A 64 HIS HBx A 67 CYS HBx 1.0 0.0 4.41 585 476 A 67 CYS HBy A 64 HIS HBy 1.0 0.0 4.41 586 476 A 67 CYS HBy A 64 HIS HBx 1.0 0.0 4.41 587 476 A 64 HIS HBy A 67 CYS HBx 1.0 0.0 4.41 588 477 A 67 CYS H A 66 PHE HBx 1.0 0.0 4.65 589 477 A 67 CYS H A 66 PHE HBy 1.0 0.0 4.65 590 478 A 67 CYS H A 67 CYS HBx 1.0 0.0 3.70 591 478 A 67 CYS H A 67 CYS HBy 1.0 0.0 3.70 592 479 A 68 LEU HG A 67 CYS HBx 1.0 0.0 4.61 593 479 A 68 LEU HG A 67 CYS HBy 1.0 0.0 4.61 594 480 A 68 LEU H A 68 LEU HBx 1.0 0.0 3.80 595 480 A 68 LEU H A 68 LEU HBy 1.0 0.0 3.80 596 481 A 69 LEU H A 68 LEU HBx 1.0 0.0 4.41 597 481 A 69 LEU H A 68 LEU HBy 1.0 0.0 4.41 598 482 A 68 LEU HD2% A 83 PRO HGy 1.0 0.0 4.25 599 482 A 68 LEU HD2% A 83 PRO HGx 1.0 0.0 4.25 600 483 A 68 LEU HD2% A 83 PRO HDx 1.0 0.0 4.25 601 483 A 68 LEU HD2% A 83 PRO HDy 1.0 0.0 4.25 602 484 A 69 LEU HA A 70 PRO HBx 1.0 0.0 4.71 603 484 A 69 LEU HA A 70 PRO HBy 1.0 0.0 4.71 604 485 A 70 PRO HA A 69 LEU HBx 1.0 0.0 4.71 605 485 A 70 PRO HA A 69 LEU HBy 1.0 0.0 4.71 606 486 A 70 PRO HBy A 71 PRO HD2 1.0 0.0 3.58 607 486 A 70 PRO HBx A 71 PRO HD2 1.0 0.0 3.58 608 486 A 71 PRO HD3 A 70 PRO HBx 1.0 0.0 3.58 609 486 A 71 PRO HD3 A 70 PRO HBy 1.0 0.0 3.58 610 487 A 72 LEU H A 71 PRO HBy 1.0 0.0 4.15 611 487 A 72 LEU H A 71 PRO HBx 1.0 0.0 4.15 612 488 A 72 LEU HD1% A 76 PRO HDx 1.0 0.0 4.36 613 488 A 72 LEU HD1% A 76 PRO HDy 1.0 0.0 4.36 614 489 A 75 ILE H A 74 SER HBy 1.0 0.0 3.58 615 489 A 75 ILE H A 74 SER HBx 1.0 0.0 3.58 616 490 A 74 SER HBy A 75 ILE HG1x 1.0 0.0 4.75 617 490 A 74 SER HBx A 75 ILE HG1x 1.0 0.0 4.75 618 490 A 75 ILE HG1y A 74 SER HBy 1.0 0.0 4.75 619 490 A 74 SER HBx A 75 ILE HG1y 1.0 0.0 4.75 620 491 A 75 ILE H A 75 ILE HG1x 1.0 0.0 3.55 621 491 A 75 ILE H A 75 ILE HG1y 1.0 0.0 3.55 622 492 A 75 ILE HA A 76 PRO HDx 1.0 0.0 2.99 623 492 A 75 ILE HA A 76 PRO HDy 1.0 0.0 2.99 624 493 A 75 ILE HG2% A 76 PRO HDx 1.0 0.0 3.62 625 493 A 75 ILE HG2% A 76 PRO HDy 1.0 0.0 3.62 626 494 A 75 ILE HD1% A 76 PRO HDx 1.0 0.0 5.11 627 494 A 75 ILE HD1% A 76 PRO HDy 1.0 0.0 5.11 628 495 A 78 GLY H A 76 PRO HBx 1.0 0.0 5.22 629 495 A 78 GLY H A 76 PRO HBy 1.0 0.0 5.22 630 496 A 76 PRO HG2 A 80 TRP HBx 1.0 0.0 4.48 631 496 A 80 TRP HBy A 76 PRO HG2 1.0 0.0 4.48 632 496 A 76 PRO HG3 A 80 TRP HBy 1.0 0.0 4.48 633 496 A 76 PRO HG3 A 80 TRP HBx 1.0 0.0 4.48 634 497 A 77 LYS H A 77 LYS HBx 1.0 0.0 3.80 635 497 A 77 LYS H A 77 LYS HBy 1.0 0.0 3.80 636 498 A 78 GLY H A 77 LYS HBx 1.0 0.0 4.56 637 498 A 78 GLY H A 77 LYS HBy 1.0 0.0 4.56 638 499 A 79 GLU H A 78 GLY HAx 1.0 0.0 3.16 639 499 A 79 GLU H A 78 GLY HAy 1.0 0.0 3.16 640 500 A 79 GLU H A 79 GLU HBy 1.0 0.0 3.87 641 500 A 79 GLU H A 79 GLU HBx 1.0 0.0 3.87 642 501 A 80 TRP H A 79 GLU HGy 1.0 0.0 4.87 643 501 A 80 TRP H A 79 GLU HGx 1.0 0.0 4.87 644 502 A 80 TRP HD1 A 80 TRP HBx 1.0 0.0 3.33 645 502 A 80 TRP HD1 A 80 TRP HBy 1.0 0.0 3.33 646 503 A 80 TRP HE3 A 80 TRP HBx 1.0 0.0 3.49 647 503 A 80 TRP HE3 A 80 TRP HBy 1.0 0.0 3.49 648 504 A 80 TRP HZ2 A 83 PRO HDx 1.0 0.0 4.01 649 504 A 80 TRP HZ2 A 83 PRO HDy 1.0 0.0 4.01 650 505 A 80 TRP HH2 A 82 CYS HBy 1.0 0.0 4.05 651 505 A 80 TRP HH2 A 82 CYS HBx 1.0 0.0 4.05 652 506 A 81 LEU H A 81 LEU HBy 1.0 0.0 3.58 653 506 A 81 LEU H A 81 LEU HBx 1.0 0.0 3.58 654 507 A 82 CYS H A 81 LEU HBy 1.0 0.0 4.28 655 507 A 82 CYS H A 81 LEU HBx 1.0 0.0 4.28 656 508 A 81 LEU HBy A 85 CYS HBx 1.0 0.0 4.63 657 508 A 81 LEU HBx A 85 CYS HBx 1.0 0.0 4.63 658 508 A 85 CYS HBy A 81 LEU HBy 1.0 0.0 4.63 659 508 A 81 LEU HBx A 85 CYS HBy 1.0 0.0 4.63 660 509 A 86 VAL HG2% A 81 LEU HBy 1.0 0.0 4.21 661 509 A 86 VAL HG2% A 81 LEU HBx 1.0 0.0 4.21 662 510 A 81 LEU HD1% A 85 CYS HBx 1.0 0.0 4.65 663 510 A 81 LEU HD1% A 85 CYS HBy 1.0 0.0 4.65 664 511 A 81 LEU HD2% A 85 CYS HBx 1.0 0.0 4.24 665 511 A 81 LEU HD2% A 85 CYS HBy 1.0 0.0 4.24 666 512 A 82 CYS H A 82 CYS HBy 1.0 0.0 3.72 667 512 A 82 CYS H A 82 CYS HBx 1.0 0.0 3.72 668 513 A 82 CYS H A 85 CYS HBx 1.0 0.0 4.57 669 513 A 82 CYS H A 85 CYS HBy 1.0 0.0 4.57 670 514 A 82 CYS HA A 83 PRO HDx 1.0 0.0 3.50 671 514 A 82 CYS HA A 83 PRO HDy 1.0 0.0 3.50 672 515 A 82 CYS HBy A 83 PRO HDx 1.0 0.0 4.55 673 515 A 82 CYS HBx A 83 PRO HDx 1.0 0.0 4.55 674 515 A 83 PRO HDy A 82 CYS HBy 1.0 0.0 4.55 675 515 A 82 CYS HBx A 83 PRO HDy 1.0 0.0 4.55 676 516 A 84 ARG HA A 84 ARG HGx 1.0 0.0 3.85 677 516 A 84 ARG HA A 84 ARG HGy 1.0 0.0 3.85 678 517 A 85 CYS H A 85 CYS HBx 1.0 0.0 3.54 679 517 A 85 CYS H A 85 CYS HBy 1.0 0.0 3.54 680 518 A 86 VAL H A 85 CYS HBx 1.0 0.0 4.43 681 518 A 86 VAL H A 85 CYS HBy 1.0 0.0 4.43 682 519 A 86 VAL HG2% A 85 CYS HBx 1.0 0.0 5.05 683 519 A 86 VAL HG2% A 85 CYS HBy 1.0 0.0 5.05 684 520 A 88 GLU H A 88 GLU HBx 1.0 0.0 3.32 685 520 A 88 GLU H A 88 GLU HBy 1.0 0.0 3.32 686 521 A 89 GLU H A 88 GLU HBx 1.0 0.0 3.79 687 521 A 89 GLU H A 88 GLU HBy 1.0 0.0 3.79 688 522 A 89 GLU H A 88 GLU HGy 1.0 0.0 5.24 689 522 A 89 GLU H A 88 GLU HGx 1.0 0.0 5.24 690 523 A 89 GLU H A 89 GLU HBx 1.0 0.0 3.87 691 523 A 89 GLU H A 89 GLU HBy 1.0 0.0 3.87 692 524 A 89 GLU H A 89 GLU HGy 1.0 0.0 5.48 693 524 A 89 GLU H A 89 GLU HGx 1.0 0.0 5.48 694 525 A 90 VAL H A 89 GLU HBx 1.0 0.0 4.50 695 525 A 90 VAL H A 89 GLU HBy 1.0 0.0 4.50 696 526 A 92 LYS HA A 93 PRO HDy 1.0 0.0 3.59 697 526 A 92 LYS HA A 93 PRO HDx 1.0 0.0 3.59 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 9 LEU H A 9 LEU HB2 1.0 0.0 4.11 2 1 A 9 LEU H A 9 LEU HB3 1.0 0.0 4.11 3 2 A 9 LEU H A 9 LEU HG 1.0 0.0 4.48 4 3 A 33 VAL HA A 34 ASP H 1.0 0.0 3.39 5 4 A 34 ASP H A 34 ASP HBy 1.0 0.0 4.15 6 5 A 34 ASP H A 34 ASP HBx 1.0 0.0 4.15 7 6 A 34 ASP H A 33 VAL HG1% 1.0 0.0 4.73 8 7 A 34 ASP H A 33 VAL HG2% 1.0 0.0 5.04 9 8 A 79 GLU H A 79 GLU HGy 1.0 0.0 5.04 10 9 A 29 PRO HA A 30 ALA H 1.0 0.0 3.34 11 10 A 30 ALA H A 29 PRO HBy 1.0 0.0 4.78 12 11 A 30 ALA H A 29 PRO HBx 1.0 0.0 4.78 13 12 A 54 LEU HA A 55 LEU H 1.0 0.0 3.24 14 13 A 31 LEU H A 31 LEU HB2 1.0 0.0 3.61 15 13 A 31 LEU H A 31 LEU HB3 1.0 0.0 3.61 16 14 A 31 LEU HA A 32 ILE H 1.0 0.0 3.35 17 15 A 32 ILE H A 32 ILE HB 1.0 0.0 3.96 18 16 A 32 ILE H A 31 LEU HB2 1.0 0.0 4.78 19 16 A 31 LEU HB3 A 32 ILE H 1.0 0.0 4.78 20 17 A 32 ILE H A 32 ILE HG1x 1.0 0.0 5.00 21 18 A 32 ILE H A 32 ILE HG2% 1.0 0.0 4.82 22 19 A 32 ILE H A 32 ILE HD1% 1.0 0.0 4.98 23 20 A 32 ILE HA A 33 VAL H 1.0 0.0 3.21 24 21 A 33 VAL H A 33 VAL HB 1.0 0.0 4.02 25 22 A 33 VAL HG1% A 33 VAL H 1.0 0.0 4.67 26 23 A 36 LEU H A 37 MET H 1.0 0.0 3.94 27 24 A 36 LEU H A 36 LEU HG 1.0 0.0 5.07 28 25 A 36 LEU H A 36 LEU HD2% 1.0 0.0 4.73 29 26 A 37 MET H A 37 MET HB2 1.0 0.0 3.98 30 26 A 37 MET H A 37 MET HB3 1.0 0.0 3.98 31 27 A 37 MET HA A 38 LYS H 1.0 0.0 3.63 32 28 A 38 LYS H A 38 LYS HB2 1.0 0.0 3.98 33 28 A 38 LYS H A 38 LYS HB3 1.0 0.0 3.98 34 29 A 38 LYS HA A 39 TYR H 1.0 0.0 3.50 35 30 A 90 VAL H A 90 VAL HB 1.0 0.0 3.84 36 31 A 69 LEU H A 69 LEU HG 1.0 0.0 4.35 37 32 A 90 VAL H A 90 VAL HG1% 1.0 0.0 4.33 38 33 A 40 ILE H A 40 ILE HB 1.0 0.0 4.11 39 34 A 40 ILE H A 40 ILE HG1y 1.0 0.0 4.62 40 35 A 40 ILE HA A 41 CYS H 1.0 0.0 3.70 41 36 A 42 HIS H A 63 TYR HA 1.0 0.0 4.57 42 37 A 42 HIS H A 41 CYS HA 1.0 0.0 3.54 43 38 A 42 HIS H A 42 HIS HBy 1.0 0.0 4.11 44 39 A 43 ILE H A 43 ILE HB 1.0 0.0 3.82 45 40 A 43 ILE H A 43 ILE HG1y 1.0 0.0 4.57 46 41 A 43 ILE H A 43 ILE HG1x 1.0 0.0 4.57 47 42 A 43 ILE H A 43 ILE HG2% 1.0 0.0 4.78 48 43 A 43 ILE H A 43 ILE HD1% 1.0 0.0 5.19 49 44 A 43 ILE H A 44 CYS H 1.0 0.0 3.79 50 45 A 44 CYS H A 45 ASN H 1.0 0.0 3.94 51 46 A 43 ILE HB A 44 CYS H 1.0 0.0 3.78 52 47 A 43 ILE HG2% A 44 CYS H 1.0 0.0 4.24 53 48 A 47 GLY H A 48 ASP H 1.0 0.0 4.24 54 49 A 45 ASN H A 46 ARG H 1.0 0.0 3.49 55 50 A 84 ARG H A 85 CYS H 1.0 0.0 3.62 56 51 A 84 ARG H A 84 ARG HB2 1.0 0.0 3.48 57 51 A 84 ARG H A 84 ARG HB3 1.0 0.0 3.48 58 52 A 45 ASN H A 40 ILE HG2% 1.0 0.0 4.46 59 53 A 48 ASP H A 46 ARG HBy 1.0 0.0 4.67 60 54 A 48 ASP H A 46 ARG HBx 1.0 0.0 4.67 61 55 A 49 VAL H A 50 GLU H 1.0 0.0 4.14 62 56 A 49 VAL H A 48 ASP HBy 1.0 0.0 4.19 63 57 A 50 GLU H A 51 GLU H 1.0 0.0 4.56 64 58 A 50 GLU H A 49 VAL HA 1.0 0.0 3.72 65 59 A 50 GLU H A 50 GLU HG2 1.0 0.0 3.97 66 59 A 50 GLU H A 50 GLU HG3 1.0 0.0 3.97 67 60 A 50 GLU H A 50 GLU HBy 1.0 0.0 4.35 68 61 A 50 GLU H A 49 VAL HG1% 1.0 0.0 4.82 69 62 A 51 GLU H A 52 SER H 1.0 0.0 4.39 70 63 A 52 SER H A 53 MET H 1.0 0.0 3.81 71 64 A 52 SER H A 52 SER HB2 1.0 0.0 4.05 72 64 A 52 SER H A 52 SER HB3 1.0 0.0 4.05 73 65 A 49 VAL HG1% A 52 SER H 1.0 0.0 4.37 74 66 A 57 ASP H A 58 GLY H 1.0 0.0 4.37 75 67 A 57 ASP H A 81 LEU HA 1.0 0.0 4.87 76 68 A 57 ASP H A 57 ASP HBx 1.0 0.0 4.03 77 69 A 57 ASP H A 81 LEU HD2% 1.0 0.0 4.38 78 70 A 58 GLY H A 59 CYS H 1.0 0.0 3.81 79 71 A 59 CYS H A 56 CYS HBy 1.0 0.0 5.12 80 72 A 60 ASP H A 61 ASP H 1.0 0.0 4.43 81 73 A 60 ASP H A 59 CYS HBy 1.0 0.0 4.91 82 74 A 61 ASP H A 61 ASP HB2 1.0 0.0 4.22 83 75 A 61 ASP HB3 A 62 SER H 1.0 0.0 4.29 84 76 A 63 TYR H A 63 TYR HD% 1.0 0.0 4.80 85 77 A 63 TYR H A 62 SER HA 1.0 0.0 3.51 86 78 A 65 THR H A 65 THR HG2% 1.0 0.0 3.85 87 79 A 65 THR H A 66 PHE H 1.0 0.0 4.35 88 80 A 66 PHE H A 66 PHE HD% 1.0 0.0 3.89 89 81 A 66 PHE H A 65 THR HB 1.0 0.0 4.80 90 82 A 66 PHE H A 64 HIS HBy 1.0 0.0 4.11 91 83 A 66 PHE H A 64 HIS HBx 1.0 0.0 4.11 92 84 A 65 THR HG2% A 66 PHE H 1.0 0.0 4.84 93 85 A 66 PHE H A 67 CYS H 1.0 0.0 3.57 94 86 A 67 CYS H A 64 HIS HBy 1.0 0.0 4.70 95 87 A 67 CYS H A 64 HIS HBx 1.0 0.0 4.70 96 88 A 67 CYS H A 68 LEU H 1.0 0.0 3.46 97 89 A 68 LEU H A 68 LEU HG 1.0 0.0 3.40 98 90 A 68 LEU H A 68 LEU HD1% 1.0 0.0 4.39 99 91 A 68 LEU H A 68 LEU HD2% 1.0 0.0 4.53 100 92 A 69 LEU H A 68 LEU HA 1.0 0.0 3.16 101 93 A 69 LEU H A 68 LEU HD2% 1.0 0.0 4.46 102 94 A 71 PRO HA A 72 LEU H 1.0 0.0 3.36 103 95 A 65 THR HB A 72 LEU H 1.0 0.0 4.32 104 96 A 72 LEU H A 72 LEU HG 1.0 0.0 3.99 105 97 A 72 LEU H A 72 LEU HB2 1.0 0.0 3.82 106 98 A 72 LEU H A 72 LEU HD2% 1.0 0.0 4.38 107 99 A 73 THR H A 74 SER H 1.0 0.0 4.27 108 100 A 74 SER H A 72 LEU HB3 1.0 0.0 4.22 109 101 A 74 SER HA A 75 ILE H 1.0 0.0 3.32 110 102 A 75 ILE H A 74 SER HBx 1.0 0.0 4.09 111 103 A 75 ILE H A 75 ILE HB 1.0 0.0 3.44 112 104 A 75 ILE H A 75 ILE HG1y 1.0 0.0 4.05 113 105 A 75 ILE H A 75 ILE HG1x 1.0 0.0 4.05 114 106 A 75 ILE H A 75 ILE HG2% 1.0 0.0 4.58 115 107 A 75 ILE H A 75 ILE HD1% 1.0 0.0 4.80 116 108 A 77 LYS H A 78 GLY H 1.0 0.0 4.32 117 109 A 72 LEU HD2% A 80 TRP HE1 1.0 0.0 4.21 118 110 A 80 TRP HE1 A 72 LEU HD1% 1.0 0.0 4.11 119 111 A 80 TRP H A 76 PRO HG2 1.0 0.0 5.39 120 111 A 76 PRO HG3 A 80 TRP H 1.0 0.0 5.39 121 112 A 80 TRP HA A 81 LEU H 1.0 0.0 3.30 122 113 A 81 LEU H A 81 LEU HG 1.0 0.0 4.35 123 114 A 81 LEU H A 81 LEU HBy 1.0 0.0 4.17 124 115 A 81 LEU H A 81 LEU HBx 1.0 0.0 4.17 125 116 A 81 LEU HA A 82 CYS H 1.0 0.0 3.44 126 117 A 81 LEU HD2% A 82 CYS H 1.0 0.0 4.41 127 118 A 85 CYS H A 85 CYS HBy 1.0 0.0 4.25 128 119 A 85 CYS H A 85 CYS HBx 1.0 0.0 4.25 129 120 A 85 CYS H A 84 ARG HB2 1.0 0.0 3.91 130 120 A 85 CYS H A 84 ARG HB3 1.0 0.0 3.91 131 121 A 85 CYS H A 86 VAL HG2% 1.0 0.0 4.83 132 122 A 85 CYS H A 86 VAL H 1.0 0.0 3.55 133 123 A 86 VAL H A 86 VAL HB 1.0 0.0 3.59 134 124 A 86 VAL HG2% A 86 VAL H 1.0 0.0 3.44 135 125 A 86 VAL H A 87 VAL H 1.0 0.0 3.78 136 126 A 87 VAL H A 84 ARG HA 1.0 0.0 4.88 137 127 A 87 VAL H A 86 VAL HA 1.0 0.0 3.56 138 128 A 87 VAL H A 87 VAL HB 1.0 0.0 3.75 139 129 A 86 VAL HB A 87 VAL H 1.0 0.0 4.14 140 130 A 87 VAL H A 87 VAL HG2% 1.0 0.0 3.59 141 131 A 87 VAL H A 86 VAL HG1% 1.0 0.0 4.43 142 132 A 86 VAL HG2% A 87 VAL H 1.0 0.0 4.80 143 133 A 87 VAL H A 88 GLU H 1.0 0.0 3.77 144 134 A 88 GLU H A 87 VAL HA 1.0 0.0 3.49 145 135 A 88 GLU H A 88 GLU HGy 1.0 0.0 4.37 146 136 A 88 GLU H A 88 GLU HBy 1.0 0.0 4.02 147 137 A 88 GLU H A 88 GLU HBx 1.0 0.0 4.02 148 138 A 88 GLU H A 87 VAL HG1% 1.0 0.0 4.75 149 139 A 87 VAL HG2% A 88 GLU H 1.0 0.0 5.07 150 140 A 88 GLU HA A 89 GLU H 1.0 0.0 3.36 151 141 A 91 SER H A 91 SER HB2 1.0 0.0 4.24 152 141 A 91 SER H A 91 SER HB3 1.0 0.0 4.24 153 142 A 90 VAL HG1% A 91 SER H 1.0 0.0 4.79 154 143 A 91 SER H A 90 VAL HG2% 1.0 0.0 5.27 155 144 A 93 PRO HA A 94 GLN H 1.0 0.0 3.61 156 145 A 10 ALA H A 9 LEU HB2 1.0 0.0 5.29 157 145 A 9 LEU HB3 A 10 ALA H 1.0 0.0 5.29 158 146 A 32 ILE H A 32 ILE HG1y 1.0 0.0 5.00 159 147 A 34 ASP H A 33 VAL HB 1.0 0.0 4.96 160 148 A 37 MET H A 36 LEU HBx 1.0 0.0 5.22 161 149 A 37 MET H A 38 LYS HB2 1.0 0.0 5.78 162 149 A 37 MET H A 38 LYS HB3 1.0 0.0 5.78 163 150 A 37 MET H A 36 LEU HBy 1.0 0.0 5.22 164 151 A 38 LYS H A 37 MET HB2 1.0 0.0 5.09 165 151 A 37 MET HB3 A 38 LYS H 1.0 0.0 5.09 166 152 A 40 ILE H A 40 ILE HG1x 1.0 0.0 4.62 167 153 A 41 CYS H A 44 CYS H 1.0 0.0 4.85 168 154 A 42 HIS H A 42 HIS HD2 1.0 0.0 5.08 169 155 A 43 ILE H A 45 ASN H 1.0 0.0 5.09 170 156 A 43 ILE H A 42 HIS HBy 1.0 0.0 5.07 171 157 A 43 ILE H A 42 HIS HBx 1.0 0.0 5.07 172 158 A 59 CYS H A 56 CYS HBx 1.0 0.0 5.12 173 159 A 60 ASP H A 59 CYS HBx 1.0 0.0 4.91 174 160 A 61 ASP HB2 A 62 SER H 1.0 0.0 5.11 175 161 A 68 LEU HG A 64 HIS H 1.0 0.0 5.13 176 162 A 67 CYS H A 65 THR HA 1.0 0.0 5.34 177 163 A 68 LEU H A 67 CYS HBx 1.0 0.0 5.02 178 164 A 78 GLY H A 76 PRO HG2 1.0 0.0 5.78 179 164 A 78 GLY H A 76 PRO HG3 1.0 0.0 5.78 180 165 A 81 LEU H A 81 LEU HD1% 1.0 0.0 5.02 181 166 A 81 LEU HD2% A 81 LEU H 1.0 0.0 5.40 182 167 A 87 VAL HB A 88 GLU H 1.0 0.0 4.14 183 168 A 88 GLU H A 88 GLU HGx 1.0 0.0 4.37 184 169 A 71 PRO HD3 A 70 PRO HBx 1.0 0.0 4.13 185 169 A 70 PRO HBx A 71 PRO HD2 1.0 0.0 4.13 186 170 A 71 PRO HA A 72 LEU HG 1.0 0.0 3.75 187 171 A 69 LEU HA A 69 LEU HD2% 1.0 0.0 4.13 188 172 A 36 LEU HD2% A 36 LEU HA 1.0 0.0 3.95 189 173 A 13 THR HA A 13 THR HG2% 1.0 0.0 4.42 190 174 A 30 ALA H A 30 ALA HB% 1.0 0.0 3.80 191 175 A 77 LYS HA A 77 LYS HG2 1.0 0.0 4.41 192 175 A 77 LYS HA A 77 LYS HG3 1.0 0.0 4.41 193 176 A 24 LYS HD2 A 24 LYS HG2 1.0 0.0 3.14 194 176 A 24 LYS HD3 A 24 LYS HG2 1.0 0.0 3.14 195 176 A 24 LYS HG3 A 24 LYS HD2 1.0 0.0 3.14 196 176 A 24 LYS HG3 A 24 LYS HD3 1.0 0.0 3.14 197 177 A 27 GLU HA A 28 PRO HDy 1.0 0.0 3.52 198 178 A 77 LYS H A 76 PRO HA 1.0 0.0 3.34 199 179 A 75 ILE HA A 76 PRO HDy 1.0 0.0 3.52 200 180 A 75 ILE HG2% A 76 PRO HDy 1.0 0.0 4.23 201 181 A 54 LEU HD2% A 76 PRO HDy 1.0 0.0 4.22 202 182 A 75 ILE HA A 76 PRO HDx 1.0 0.0 3.52 203 183 A 75 ILE HG2% A 76 PRO HDx 1.0 0.0 4.23 204 184 A 54 LEU HD2% A 76 PRO HDx 1.0 0.0 4.22 205 185 A 54 LEU HD1% A 76 PRO HDx 1.0 0.0 4.86 206 186 A 66 PHE HA A 71 PRO HBx 1.0 0.0 4.25 207 187 A 31 LEU H A 30 ALA HA 1.0 0.0 3.49 208 188 A 31 LEU HA A 31 LEU HD1% 1.0 0.0 4.70 209 189 A 32 ILE HG2% A 32 ILE HA 1.0 0.0 4.19 210 190 A 32 ILE HD1% A 32 ILE HA 1.0 0.0 4.81 211 191 A 33 VAL HA A 33 VAL HG1% 1.0 0.0 4.04 212 192 A 33 VAL HA A 33 VAL HG2% 1.0 0.0 4.36 213 193 A 33 VAL HG2% A 33 VAL H 1.0 0.0 4.21 214 194 A 36 LEU H A 35 PRO HA 1.0 0.0 3.60 215 195 A 27 GLU HA A 28 PRO HDx 1.0 0.0 3.52 216 196 A 37 MET H A 37 MET HG2 1.0 0.0 4.89 217 196 A 37 MET H A 37 MET HG3 1.0 0.0 4.89 218 197 A 40 ILE H A 39 TYR HA 1.0 0.0 3.39 219 198 A 40 ILE HA A 40 ILE HD1% 1.0 0.0 4.40 220 199 A 41 CYS H A 40 ILE HG2% 1.0 0.0 4.19 221 200 A 40 ILE HA A 40 ILE HG2% 1.0 0.0 4.27 222 201 A 40 ILE HG2% A 40 ILE HG1y 1.0 0.0 4.44 223 202 A 40 ILE HG2% A 40 ILE HG1x 1.0 0.0 4.44 224 203 A 44 CYS H A 41 CYS HBy 1.0 0.0 4.75 225 204 A 41 CYS H A 41 CYS HBy 1.0 0.0 4.16 226 205 A 41 CYS H A 41 CYS HBx 1.0 0.0 4.16 227 206 A 42 HIS H A 42 HIS HBx 1.0 0.0 4.11 228 207 A 63 TYR HE% A 82 CYS HBx 1.0 0.0 5.78 229 208 A 43 ILE HG2% A 43 ILE HA 1.0 0.0 3.80 230 209 A 43 ILE HD1% A 43 ILE HA 1.0 0.0 4.65 231 210 A 43 ILE HD1% A 68 LEU HA 1.0 0.0 4.91 232 211 A 40 ILE HG2% A 45 ASN HA 1.0 0.0 3.64 233 212 A 53 MET HE% A 47 GLY HAy 1.0 0.0 4.89 234 213 A 49 VAL H A 48 ASP HBx 1.0 0.0 4.19 235 214 A 49 VAL H A 49 VAL HG2% 1.0 0.0 3.98 236 215 A 49 VAL HG2% A 66 PHE HE% 1.0 0.0 4.74 237 216 A 49 VAL HA A 49 VAL HG2% 1.0 0.0 4.05 238 217 A 49 VAL HG2% A 48 ASP HBx 1.0 0.0 4.86 239 218 A 49 VAL HG1% A 66 PHE HZ 1.0 0.0 4.54 240 219 A 49 VAL HG1% A 52 SER HA 1.0 0.0 4.68 241 220 A 49 VAL HA A 49 VAL HG1% 1.0 0.0 3.54 242 221 A 66 PHE HE% A 49 VAL HB 1.0 0.0 4.87 243 222 A 53 MET H A 50 GLU HA 1.0 0.0 4.64 244 223 A 53 MET HE% A 50 GLU HA 1.0 0.0 4.57 245 224 A 50 GLU H A 50 GLU HBx 1.0 0.0 4.35 246 225 A 50 GLU HA A 50 GLU HG2 1.0 0.0 3.96 247 225 A 50 GLU HG3 A 50 GLU HA 1.0 0.0 3.96 248 226 A 66 PHE HE% A 52 SER HB2 1.0 0.0 4.46 249 226 A 52 SER HB3 A 66 PHE HE% 1.0 0.0 4.46 250 227 A 49 VAL HG1% A 52 SER HB2 1.0 0.0 3.93 251 227 A 49 VAL HG1% A 52 SER HB3 1.0 0.0 3.93 252 228 A 41 CYS H A 53 MET HE% 1.0 0.0 4.23 253 229 A 53 MET HE% A 53 MET HA 1.0 0.0 4.71 254 230 A 40 ILE HA A 53 MET HE% 1.0 0.0 4.13 255 231 A 53 MET HE% A 47 GLY HAx 1.0 0.0 4.89 256 232 A 53 MET HE% A 53 MET HG2 1.0 0.0 3.98 257 232 A 53 MET HE% A 53 MET HG3 1.0 0.0 3.98 258 233 A 75 ILE HG2% A 54 LEU HD1% 1.0 0.0 4.84 259 234 A 54 LEU HA A 54 LEU HD2% 1.0 0.0 3.93 260 235 A 75 ILE HA A 54 LEU HD2% 1.0 0.0 4.75 261 236 A 75 ILE HG2% A 54 LEU HD2% 1.0 0.0 4.00 262 237 A 55 LEU HA A 55 LEU HD1% 1.0 0.0 4.49 263 238 A 55 LEU HD1% A 56 CYS HA 1.0 0.0 4.67 264 239 A 55 LEU HA A 55 LEU HD2% 1.0 0.0 4.70 265 240 A 81 LEU HD2% A 57 ASP HBx 1.0 0.0 4.70 266 241 A 57 ASP H A 57 ASP HBy 1.0 0.0 4.03 267 242 A 81 LEU HD2% A 57 ASP HBy 1.0 0.0 4.70 268 243 A 62 SER H A 61 ASP HA 1.0 0.0 3.70 269 244 A 62 SER HA A 55 LEU HD2% 1.0 0.0 4.75 270 245 A 63 TYR HA A 41 CYS HA 1.0 0.0 4.57 271 246 A 65 THR H A 64 HIS HA 1.0 0.0 3.72 272 247 A 65 THR HB A 72 LEU HB2 1.0 0.0 4.41 273 248 A 65 THR HA A 54 LEU HD1% 1.0 0.0 4.79 274 249 A 65 THR HG2% A 65 THR HA 1.0 0.0 3.90 275 250 A 65 THR HG2% A 54 LEU HD2% 1.0 0.0 4.20 276 251 A 65 THR HG2% A 54 LEU HD1% 1.0 0.0 4.00 277 252 A 43 ILE HB A 67 CYS HBy 1.0 0.0 4.59 278 253 A 43 ILE HB A 67 CYS HBx 1.0 0.0 4.59 279 254 A 68 LEU HD1% A 65 THR HA 1.0 0.0 4.06 280 255 A 68 LEU HD1% A 54 LEU HD1% 1.0 0.0 4.35 281 256 A 68 LEU HD2% A 68 LEU HA 1.0 0.0 3.92 282 257 A 69 LEU H A 69 LEU HBx 1.0 0.0 4.40 283 258 A 69 LEU HA A 70 PRO HA 1.0 0.0 3.30 284 259 A 70 PRO HA A 71 PRO HD2 1.0 0.0 3.33 285 259 A 71 PRO HD3 A 70 PRO HA 1.0 0.0 3.33 286 260 A 71 PRO HD3 A 70 PRO HBy 1.0 0.0 4.13 287 260 A 70 PRO HBy A 71 PRO HD2 1.0 0.0 4.13 288 261 A 69 LEU HA A 71 PRO HD2 1.0 0.0 4.23 289 261 A 71 PRO HD3 A 69 LEU HA 1.0 0.0 4.23 290 262 A 72 LEU H A 71 PRO HBx 1.0 0.0 4.80 291 263 A 72 LEU HD1% A 76 PRO HDy 1.0 0.0 5.01 292 264 A 72 LEU HD1% A 54 LEU HD1% 1.0 0.0 3.87 293 265 A 72 LEU HD2% A 72 LEU HA 1.0 0.0 3.99 294 266 A 72 LEU HD2% A 72 LEU HB3 1.0 0.0 4.18 295 267 A 73 THR HA A 73 THR HG2% 1.0 0.0 3.95 296 268 A 11 THR HA A 11 THR HG2% 1.0 0.0 3.95 297 269 A 75 ILE H A 74 SER HBy 1.0 0.0 4.09 298 270 A 65 THR HG2% A 75 ILE HA 1.0 0.0 5.37 299 271 A 75 ILE HD1% A 75 ILE HA 1.0 0.0 4.20 300 272 A 75 ILE HG2% A 75 ILE HA 1.0 0.0 4.01 301 273 A 65 THR HG2% A 75 ILE HG2% 1.0 0.0 4.77 302 274 A 80 TRP H A 79 GLU HA 1.0 0.0 3.34 303 275 A 86 VAL HA A 81 LEU HD1% 1.0 0.0 4.84 304 276 A 58 GLY H A 81 LEU HD2% 1.0 0.0 4.20 305 277 A 81 LEU HA A 81 LEU HD2% 1.0 0.0 3.81 306 278 A 81 LEU HD2% A 58 GLY HAy 1.0 0.0 4.60 307 279 A 81 LEU HD2% A 58 GLY HAx 1.0 0.0 4.60 308 280 A 82 CYS HA A 83 PRO HDy 1.0 0.0 4.26 309 281 A 68 LEU HD2% A 82 CYS HA 1.0 0.0 5.45 310 282 A 86 VAL HG2% A 82 CYS HA 1.0 0.0 5.78 311 283 A 86 VAL HB A 83 PRO HA 1.0 0.0 4.39 312 284 A 86 VAL HG2% A 83 PRO HA 1.0 0.0 3.71 313 285 A 68 LEU HD2% A 83 PRO HDy 1.0 0.0 4.96 314 286 A 82 CYS HA A 83 PRO HDx 1.0 0.0 4.26 315 287 A 68 LEU HD2% A 83 PRO HDx 1.0 0.0 4.96 316 288 A 84 ARG HA A 84 ARG HGy 1.0 0.0 4.39 317 289 A 84 ARG HA A 84 ARG HGx 1.0 0.0 4.39 318 290 A 94 GLN HBx A 94 GLN HG2 1.0 0.0 2.87 319 290 A 94 GLN HBx A 94 GLN HG3 1.0 0.0 2.87 320 291 A 84 ARG HB2 A 84 ARG HD2 1.0 0.0 3.77 321 291 A 84 ARG HB3 A 84 ARG HD2 1.0 0.0 3.77 322 291 A 84 ARG HD3 A 84 ARG HB2 1.0 0.0 3.77 323 291 A 84 ARG HB3 A 84 ARG HD3 1.0 0.0 3.77 324 292 A 81 LEU HD2% A 85 CYS HBy 1.0 0.0 4.91 325 293 A 81 LEU HD2% A 85 CYS HBx 1.0 0.0 4.91 326 294 A 86 VAL HA A 86 VAL HG1% 1.0 0.0 3.68 327 295 A 86 VAL HG2% A 86 VAL HA 1.0 0.0 3.60 328 296 A 86 VAL H A 86 VAL HG1% 1.0 0.0 4.15 329 297 A 86 VAL HG1% A 83 PRO HA 1.0 0.0 4.36 330 298 A 87 VAL HA A 87 VAL HG1% 1.0 0.0 3.71 331 299 A 90 VAL H A 90 VAL HG2% 1.0 0.0 4.05 332 300 A 84 ARG HA A 87 VAL HG2% 1.0 0.0 4.29 333 301 A 87 VAL HG2% A 87 VAL HA 1.0 0.0 3.69 334 302 A 87 VAL H A 87 VAL HG1% 1.0 0.0 4.45 335 303 A 90 VAL HG1% A 90 VAL HA 1.0 0.0 4.05 336 304 A 90 VAL HG2% A 90 VAL HA 1.0 0.0 4.42 337 305 A 94 GLN HBy A 94 GLN HG2 1.0 0.0 2.87 338 305 A 94 GLN HG3 A 94 GLN HBy 1.0 0.0 2.87 339 306 A 75 ILE HD1% A 54 LEU HD2% 1.0 0.0 4.65 340 307 A 73 THR H A 73 THR HG2% 1.0 0.0 4.82 341 308 A 18 ARG HA A 18 ARG HD2 1.0 0.0 4.92 342 308 A 18 ARG HA A 18 ARG HD3 1.0 0.0 4.92 343 309 A 54 LEU HD1% A 76 PRO HDy 1.0 0.0 4.86 344 310 A 68 LEU HD2% A 83 PRO HGy 1.0 0.0 4.94 345 311 A 31 LEU H A 30 ALA HB% 1.0 0.0 4.47 346 312 A 70 PRO HA A 69 LEU HBy 1.0 0.0 5.62 347 313 A 70 PRO HA A 69 LEU HBx 1.0 0.0 5.62 348 314 A 69 LEU HG A 70 PRO HA 1.0 0.0 5.76 349 315 A 63 TYR HE% A 82 CYS HBy 1.0 0.0 5.78 350 316 A 39 TYR H A 38 LYS HB2 1.0 0.0 4.75 351 316 A 38 LYS HB3 A 39 TYR H 1.0 0.0 4.75 352 317 A 49 VAL HG2% A 48 ASP HBy 1.0 0.0 4.86 353 318 A 66 PHE HA A 71 PRO HBy 1.0 0.0 4.25 354 319 A 84 ARG HA A 84 ARG HD2 1.0 0.0 4.56 355 319 A 84 ARG HA A 84 ARG HD3 1.0 0.0 4.56 356 320 A 72 LEU H A 71 PRO HBy 1.0 0.0 4.80 357 321 A 85 CYS HA A 84 ARG HB2 1.0 0.0 4.61 358 321 A 84 ARG HB3 A 85 CYS HA 1.0 0.0 4.61 359 322 A 72 LEU HB2 A 72 LEU HD1% 1.0 0.0 4.29 360 323 A 72 LEU HB2 A 65 THR HA 1.0 0.0 4.74 361 324 A 43 ILE HD1% A 68 LEU HD1% 1.0 0.0 4.55 362 325 A 68 LEU H A 67 CYS HBy 1.0 0.0 5.02 363 326 A 72 LEU HD1% A 54 LEU HD2% 1.0 0.0 4.68 364 327 A 86 VAL HG1% A 87 VAL HA 1.0 0.0 4.82 365 328 A 68 LEU HD2% A 83 PRO HGx 1.0 0.0 4.94 366 329 A 54 LEU HD2% A 76 PRO HG2 1.0 0.0 4.77 367 329 A 76 PRO HG3 A 54 LEU HD2% 1.0 0.0 4.77 368 330 A 72 LEU HD1% A 76 PRO HG2 1.0 0.0 4.76 369 330 A 72 LEU HD1% A 76 PRO HG3 1.0 0.0 4.76 370 331 A 69 LEU H A 69 LEU HBy 1.0 0.0 4.40 371 332 A 72 LEU HD1% A 76 PRO HDx 1.0 0.0 5.01 372 333 A 72 LEU HD2% A 65 THR HA 1.0 0.0 4.96 373 334 A 54 LEU H A 54 LEU HG 1.0 0.0 4.92 374 335 A 72 LEU HD1% A 65 THR HA 1.0 0.0 4.90 375 336 A 65 THR HB A 72 LEU HD1% 1.0 0.0 5.07 376 337 A 79 GLU H A 79 GLU HGx 1.0 0.0 5.04 377 338 A 87 VAL HG1% A 88 GLU HA 1.0 0.0 5.78 378 339 A 90 VAL HG2% A 89 GLU HA 1.0 0.0 5.78 379 340 A 40 ILE HD1% A 45 ASN HA 1.0 0.0 4.97 380 341 A 70 PRO HA A 69 LEU HD1% 1.0 0.0 4.85 381 342 A 65 THR HB A 72 LEU HB3 1.0 0.0 4.95 382 343 A 69 LEU HD2% A 70 PRO HA 1.0 0.0 4.89 383 344 A 44 CYS H A 41 CYS HBx 1.0 0.0 4.75 384 345 A 69 LEU HD2% A 71 PRO HD2 1.0 0.0 4.77 385 345 A 71 PRO HD3 A 69 LEU HD2% 1.0 0.0 4.77 386 346 A 31 LEU HA A 31 LEU HD2% 1.0 0.0 4.42 387 347 A 43 ILE HD1% A 68 LEU HD2% 1.0 0.0 4.42 388 348 A 61 ASP HB2 A 63 TYR HE% 1.0 0.0 3.29 389 349 A 55 LEU HD1% A 39 TYR HE% 1.0 0.0 3.86 390 350 A 39 TYR H A 39 TYR HD% 1.0 0.0 3.52 391 351 A 39 TYR HA A 39 TYR HD% 1.0 0.0 3.24 392 352 A 55 LEU HD1% A 39 TYR HD% 1.0 0.0 4.71 393 353 A 61 ASP HB3 A 63 TYR HE% 1.0 0.0 3.20 394 354 A 63 TYR HE% A 43 ILE HG1y 1.0 0.0 3.83 395 355 A 63 TYR HE% A 43 ILE HG1x 1.0 0.0 3.83 396 356 A 43 ILE HD1% A 63 TYR HE% 1.0 0.0 3.51 397 357 A 63 TYR HD% A 80 TRP HH2 1.0 0.0 3.78 398 358 A 63 TYR HD% A 62 SER HA 1.0 0.0 4.01 399 359 A 63 TYR HD% A 68 LEU HG 1.0 0.0 3.84 400 360 A 43 ILE HD1% A 63 TYR HD% 1.0 0.0 3.62 401 361 A 63 TYR HD% A 68 LEU HD2% 1.0 0.0 3.55 402 362 A 64 HIS HA A 64 HIS HD2 1.0 0.0 4.02 403 363 A 64 HIS HD2 A 52 SER HB2 1.0 0.0 3.97 404 363 A 52 SER HB3 A 64 HIS HD2 1.0 0.0 3.97 405 364 A 49 VAL HG1% A 66 PHE HE% 1.0 0.0 3.93 406 365 A 66 PHE HZ A 49 VAL HB 1.0 0.0 4.08 407 366 A 49 VAL HG2% A 66 PHE HZ 1.0 0.0 3.79 408 367 A 80 TRP H A 80 TRP HE3 1.0 0.0 3.99 409 368 A 82 CYS HA A 80 TRP HZ2 1.0 0.0 3.78 410 369 A 68 LEU HD1% A 80 TRP HZ2 1.0 0.0 3.27 411 370 A 68 LEU HD2% A 80 TRP HZ2 1.0 0.0 4.02 412 371 A 81 LEU H A 80 TRP HD1 1.0 0.0 3.89 413 372 A 80 TRP HA A 80 TRP HD1 1.0 0.0 3.51 414 373 A 80 TRP HD1 A 76 PRO HG2 1.0 0.0 3.54 415 373 A 76 PRO HG3 A 80 TRP HD1 1.0 0.0 3.54 416 374 A 72 LEU HD1% A 80 TRP HD1 1.0 0.0 3.86 417 375 A 63 TYR HD% A 80 TRP HZ3 1.0 0.0 3.72 418 376 A 82 CYS HA A 80 TRP HH2 1.0 0.0 3.94 419 377 A 80 TRP HH2 A 63 TYR HBx 1.0 0.0 4.19 420 378 A 68 LEU HD1% A 80 TRP HH2 1.0 0.0 4.07 421 379 A 68 LEU HD2% A 80 TRP HH2 1.0 0.0 4.43 422 380 A 68 LEU HD2% A 63 TYR HE% 1.0 0.0 4.18 423 381 A 80 TRP HH2 A 63 TYR HBy 1.0 0.0 4.19 424 382 A 55 LEU HD2% A 39 TYR HD% 1.0 0.0 4.05 425 383 A 63 TYR HA A 63 TYR HD% 1.0 0.0 4.19 426 384 A 55 LEU HD2% A 39 TYR HE% 1.0 0.0 4.20 427 385 A 53 MET HE% A 64 HIS HD2 1.0 0.0 4.27 428 386 A 53 MET HE% A 64 HIS HE1 1.0 0.0 4.32 429 387 A 41 CYS SG B 1 ZN ZN 1.0 0.0 2.42 430 388 B 1 ZN ZN A 41 CYS CB 1.0 0.0 3.57 431 389 B 1 ZN ZN A 44 CYS SG 1.0 0.0 2.42 432 390 B 1 ZN ZN A 44 CYS CB 1.0 0.0 3.57 433 391 B 1 ZN ZN A 67 CYS SG 1.0 0.0 2.42 434 392 B 1 ZN ZN A 67 CYS CB 1.0 0.0 3.57 435 393 B 1 ZN ZN A 64 HIS ND1 1.0 0.0 2.42 436 394 A 41 CYS SG A 44 CYS SG 1.0 0.0 3.99 437 395 A 41 CYS SG A 67 CYS SG 1.0 0.0 3.99 438 396 A 41 CYS SG A 64 HIS ND1 1.0 0.0 3.99 439 397 A 44 CYS SG A 67 CYS SG 1.0 0.0 3.99 440 398 A 44 CYS SG A 64 HIS ND1 1.0 0.0 3.99 441 399 A 67 CYS SG A 64 HIS ND1 1.0 0.0 3.99 442 400 A 56 CYS SG 3 1 ZN ZN 1.0 0.0 2.42 443 401 3 1 ZN ZN A 56 CYS CB 1.0 0.0 3.57 444 402 3 1 ZN ZN A 59 CYS SG 1.0 0.0 2.42 445 403 3 1 ZN ZN A 59 CYS CB 1.0 0.0 3.57 446 404 3 1 ZN ZN A 82 CYS SG 1.0 0.0 2.42 447 405 3 1 ZN ZN A 82 CYS CB 1.0 0.0 3.57 448 406 3 1 ZN ZN A 85 CYS SG 1.0 0.0 2.42 449 407 3 1 ZN ZN A 85 CYS CB 1.0 0.0 3.57 450 408 A 56 CYS SG A 59 CYS SG 1.0 0.0 3.99 451 409 A 56 CYS SG A 82 CYS SG 1.0 0.0 3.99 452 410 A 56 CYS SG A 85 CYS SG 1.0 0.0 3.99 453 411 A 59 CYS SG A 82 CYS SG 1.0 0.0 3.99 454 412 A 59 CYS SG A 85 CYS SG 1.0 0.0 3.99 455 413 A 82 CYS SG A 85 CYS SG 1.0 0.0 3.99 456 414 A 18 ARG H A 18 ARG HBx 1.0 0.0 3.85 457 414 A 18 ARG H A 18 ARG HBy 1.0 0.0 3.85 458 415 A 32 ILE H A 32 ILE HG1x 1.0 0.0 4.35 459 415 A 32 ILE H A 32 ILE HG1y 1.0 0.0 4.35 460 416 A 34 ASP H A 34 ASP HBx 1.0 0.0 3.63 461 416 A 34 ASP H A 34 ASP HBy 1.0 0.0 3.63 462 417 A 34 ASP H A 35 PRO HDy 1.0 0.0 4.33 463 417 A 34 ASP H A 35 PRO HDx 1.0 0.0 4.33 464 418 A 34 ASP HA A 35 PRO HDy 1.0 0.0 3.12 465 418 A 35 PRO HDx A 34 ASP HA 1.0 0.0 3.12 466 419 A 36 LEU H A 35 PRO HBx 1.0 0.0 4.06 467 419 A 36 LEU H A 35 PRO HBy 1.0 0.0 4.06 468 420 A 36 LEU H A 35 PRO HDy 1.0 0.0 4.38 469 420 A 36 LEU H A 35 PRO HDx 1.0 0.0 4.38 470 421 A 36 LEU H A 36 LEU HBy 1.0 0.0 3.48 471 421 A 36 LEU H A 36 LEU HBx 1.0 0.0 3.48 472 422 A 37 MET H A 36 LEU HBy 1.0 0.0 4.55 473 422 A 37 MET H A 36 LEU HBx 1.0 0.0 4.55 474 423 A 38 LYS HB3 A 40 ILE HG1x 1.0 0.0 4.02 475 423 A 40 ILE HG1y A 38 LYS HB2 1.0 0.0 4.02 476 423 A 38 LYS HB3 A 40 ILE HG1y 1.0 0.0 4.02 477 423 A 38 LYS HB2 A 40 ILE HG1x 1.0 0.0 4.02 478 424 A 39 TYR H A 39 TYR HBx 1.0 0.0 3.79 479 424 A 39 TYR H A 39 TYR HBy 1.0 0.0 3.79 480 425 A 40 ILE H A 39 TYR HBx 1.0 0.0 4.66 481 425 A 40 ILE H A 39 TYR HBy 1.0 0.0 4.66 482 426 A 39 TYR HD% A 62 SER HBx 1.0 0.0 4.19 483 426 A 39 TYR HD% A 62 SER HBy 1.0 0.0 4.19 484 427 A 44 CYS H A 41 CYS HBx 1.0 0.0 4.04 485 427 A 44 CYS H A 41 CYS HBy 1.0 0.0 4.04 486 428 A 63 TYR HA A 41 CYS HBx 1.0 0.0 4.86 487 428 A 63 TYR HA A 41 CYS HBy 1.0 0.0 4.86 488 429 A 64 HIS HE1 A 41 CYS HBx 1.0 0.0 3.98 489 429 A 64 HIS HE1 A 41 CYS HBy 1.0 0.0 3.98 490 430 A 42 HIS H A 42 HIS HBy 1.0 0.0 3.50 491 430 A 42 HIS H A 42 HIS HBx 1.0 0.0 3.50 492 431 A 42 HIS HD2 A 42 HIS HBy 1.0 0.0 3.59 493 431 A 42 HIS HD2 A 42 HIS HBx 1.0 0.0 3.59 494 432 A 43 ILE H A 42 HIS HBy 1.0 0.0 4.39 495 432 A 43 ILE H A 42 HIS HBx 1.0 0.0 4.39 496 433 A 43 ILE H A 43 ILE HG1x 1.0 0.0 3.93 497 433 A 43 ILE H A 43 ILE HG1y 1.0 0.0 3.93 498 434 A 43 ILE HB A 67 CYS HBx 1.0 0.0 3.84 499 434 A 43 ILE HB A 67 CYS HBy 1.0 0.0 3.84 500 435 A 43 ILE HG2% A 67 CYS HBx 1.0 0.0 4.08 501 435 A 43 ILE HG2% A 67 CYS HBy 1.0 0.0 4.08 502 436 A 63 TYR HD% A 43 ILE HG1x 1.0 0.0 3.87 503 436 A 63 TYR HD% A 43 ILE HG1y 1.0 0.0 3.87 504 437 A 63 TYR HE% A 43 ILE HG1x 1.0 0.0 3.36 505 437 A 63 TYR HE% A 43 ILE HG1y 1.0 0.0 3.36 506 438 A 43 ILE HD1% A 67 CYS HBx 1.0 0.0 3.77 507 438 A 43 ILE HD1% A 67 CYS HBy 1.0 0.0 3.77 508 439 A 46 ARG H A 46 ARG HBy 1.0 0.0 3.78 509 439 A 46 ARG H A 46 ARG HBx 1.0 0.0 3.78 510 440 A 46 ARG H A 46 ARG HGy 1.0 0.0 4.01 511 440 A 46 ARG H A 46 ARG HGx 1.0 0.0 4.01 512 441 A 46 ARG H A 46 ARG HDy 1.0 0.0 4.24 513 441 A 46 ARG H A 46 ARG HDx 1.0 0.0 4.24 514 442 A 47 GLY H A 46 ARG HBy 1.0 0.0 4.46 515 442 A 47 GLY H A 46 ARG HBx 1.0 0.0 4.46 516 443 A 47 GLY H A 46 ARG HGy 1.0 0.0 5.61 517 443 A 47 GLY H A 46 ARG HGx 1.0 0.0 5.61 518 444 A 53 MET HE% A 47 GLY HAx 1.0 0.0 4.08 519 444 A 53 MET HE% A 47 GLY HAy 1.0 0.0 4.08 520 445 A 49 VAL H A 48 ASP HBx 1.0 0.0 3.59 521 445 A 49 VAL H A 48 ASP HBy 1.0 0.0 3.59 522 446 A 49 VAL HG2% A 48 ASP HBx 1.0 0.0 4.25 523 446 A 49 VAL HG2% A 48 ASP HBy 1.0 0.0 4.25 524 447 A 50 GLU H A 50 GLU HBy 1.0 0.0 3.72 525 447 A 50 GLU H A 50 GLU HBx 1.0 0.0 3.72 526 448 A 50 GLU HA A 53 MET HBx 1.0 0.0 4.08 527 448 A 50 GLU HA A 53 MET HBy 1.0 0.0 4.08 528 449 A 51 GLU H A 51 GLU HGy 1.0 0.0 4.79 529 449 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.79 530 450 A 51 GLU HA A 51 GLU HGy 1.0 0.0 3.86 531 450 A 51 GLU HGx A 51 GLU HA 1.0 0.0 3.86 532 451 A 64 HIS HD2 A 53 MET HBx 1.0 0.0 4.25 533 451 A 64 HIS HD2 A 53 MET HBy 1.0 0.0 4.25 534 452 A 55 LEU H A 54 LEU HBx 1.0 0.0 4.03 535 452 A 55 LEU H A 54 LEU HBy 1.0 0.0 4.03 536 453 A 54 LEU HD1% A 76 PRO HDx 1.0 0.0 4.22 537 453 A 54 LEU HD1% A 76 PRO HDy 1.0 0.0 4.22 538 454 A 55 LEU H A 55 LEU HBy 1.0 0.0 3.56 539 454 A 55 LEU H A 55 LEU HBx 1.0 0.0 3.56 540 455 A 55 LEU HD2% A 62 SER HBx 1.0 0.0 4.69 541 455 A 55 LEU HD2% A 62 SER HBy 1.0 0.0 4.69 542 456 A 56 CYS H A 56 CYS HBx 1.0 0.0 3.87 543 456 A 56 CYS H A 56 CYS HBy 1.0 0.0 3.87 544 457 A 59 CYS H A 56 CYS HBx 1.0 0.0 4.23 545 457 A 59 CYS H A 56 CYS HBy 1.0 0.0 4.23 546 458 A 60 ASP H A 56 CYS HBx 1.0 0.0 4.42 547 458 A 60 ASP H A 56 CYS HBy 1.0 0.0 4.42 548 459 A 61 ASP H A 56 CYS HBx 1.0 0.0 4.22 549 459 A 61 ASP H A 56 CYS HBy 1.0 0.0 4.22 550 460 A 81 LEU HD2% A 56 CYS HBx 1.0 0.0 4.96 551 460 A 81 LEU HD2% A 56 CYS HBy 1.0 0.0 4.96 552 461 A 82 CYS H A 56 CYS HBx 1.0 0.0 4.30 553 461 A 82 CYS H A 56 CYS HBy 1.0 0.0 4.30 554 462 A 56 CYS HBx A 82 CYS HBy 1.0 0.0 3.90 555 462 A 56 CYS HBy A 82 CYS HBy 1.0 0.0 3.90 556 462 A 82 CYS HBx A 56 CYS HBx 1.0 0.0 3.90 557 462 A 56 CYS HBy A 82 CYS HBx 1.0 0.0 3.90 558 463 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.54 559 463 A 57 ASP H A 57 ASP HBy 1.0 0.0 3.54 560 464 A 81 LEU HD2% A 57 ASP HBx 1.0 0.0 4.04 561 464 A 81 LEU HD2% A 57 ASP HBy 1.0 0.0 4.04 562 465 A 81 LEU HD2% A 58 GLY HAx 1.0 0.0 4.01 563 465 A 81 LEU HD2% A 58 GLY HAy 1.0 0.0 4.01 564 466 A 60 ASP H A 59 CYS HBx 1.0 0.0 4.26 565 466 A 60 ASP H A 59 CYS HBy 1.0 0.0 4.26 566 467 A 60 ASP H A 60 ASP HBx 1.0 0.0 3.84 567 467 A 60 ASP H A 60 ASP HBy 1.0 0.0 3.84 568 468 A 61 ASP H A 60 ASP HBx 1.0 0.0 4.69 569 468 A 61 ASP H A 60 ASP HBy 1.0 0.0 4.69 570 469 A 63 TYR H A 62 SER HBx 1.0 0.0 4.59 571 469 A 63 TYR H A 62 SER HBy 1.0 0.0 4.59 572 470 A 63 TYR H A 63 TYR HBx 1.0 0.0 3.85 573 470 A 63 TYR H A 63 TYR HBy 1.0 0.0 3.85 574 471 A 68 LEU HD2% A 63 TYR HBx 1.0 0.0 4.61 575 471 A 68 LEU HD2% A 63 TYR HBy 1.0 0.0 4.61 576 472 A 80 TRP HH2 A 63 TYR HBx 1.0 0.0 3.64 577 472 A 80 TRP HH2 A 63 TYR HBy 1.0 0.0 3.64 578 473 A 63 TYR HE% A 82 CYS HBy 1.0 0.0 5.00 579 473 A 63 TYR HE% A 82 CYS HBx 1.0 0.0 5.00 580 474 A 64 HIS H A 67 CYS HBx 1.0 0.0 4.74 581 474 A 64 HIS H A 67 CYS HBy 1.0 0.0 4.74 582 475 A 67 CYS H A 64 HIS HBy 1.0 0.0 3.96 583 475 A 67 CYS H A 64 HIS HBx 1.0 0.0 3.96 584 476 A 64 HIS HBx A 67 CYS HBx 1.0 0.0 4.41 585 476 A 67 CYS HBy A 64 HIS HBy 1.0 0.0 4.41 586 476 A 67 CYS HBy A 64 HIS HBx 1.0 0.0 4.41 587 476 A 64 HIS HBy A 67 CYS HBx 1.0 0.0 4.41 588 477 A 67 CYS H A 66 PHE HBx 1.0 0.0 4.65 589 477 A 67 CYS H A 66 PHE HBy 1.0 0.0 4.65 590 478 A 67 CYS H A 67 CYS HBx 1.0 0.0 3.70 591 478 A 67 CYS H A 67 CYS HBy 1.0 0.0 3.70 592 479 A 68 LEU HG A 67 CYS HBx 1.0 0.0 4.61 593 479 A 68 LEU HG A 67 CYS HBy 1.0 0.0 4.61 594 480 A 68 LEU H A 68 LEU HBx 1.0 0.0 3.80 595 480 A 68 LEU H A 68 LEU HBy 1.0 0.0 3.80 596 481 A 69 LEU H A 68 LEU HBx 1.0 0.0 4.41 597 481 A 69 LEU H A 68 LEU HBy 1.0 0.0 4.41 598 482 A 68 LEU HD2% A 83 PRO HGy 1.0 0.0 4.25 599 482 A 68 LEU HD2% A 83 PRO HGx 1.0 0.0 4.25 600 483 A 68 LEU HD2% A 83 PRO HDx 1.0 0.0 4.25 601 483 A 68 LEU HD2% A 83 PRO HDy 1.0 0.0 4.25 602 484 A 69 LEU HA A 70 PRO HBx 1.0 0.0 4.71 603 484 A 69 LEU HA A 70 PRO HBy 1.0 0.0 4.71 604 485 A 70 PRO HA A 69 LEU HBx 1.0 0.0 4.71 605 485 A 70 PRO HA A 69 LEU HBy 1.0 0.0 4.71 606 486 A 70 PRO HBy A 71 PRO HD2 1.0 0.0 3.58 607 486 A 70 PRO HBx A 71 PRO HD2 1.0 0.0 3.58 608 486 A 71 PRO HD3 A 70 PRO HBx 1.0 0.0 3.58 609 486 A 71 PRO HD3 A 70 PRO HBy 1.0 0.0 3.58 610 487 A 72 LEU H A 71 PRO HBy 1.0 0.0 4.15 611 487 A 72 LEU H A 71 PRO HBx 1.0 0.0 4.15 612 488 A 72 LEU HD1% A 76 PRO HDx 1.0 0.0 4.36 613 488 A 72 LEU HD1% A 76 PRO HDy 1.0 0.0 4.36 614 489 A 75 ILE H A 74 SER HBy 1.0 0.0 3.58 615 489 A 75 ILE H A 74 SER HBx 1.0 0.0 3.58 616 490 A 74 SER HBy A 75 ILE HG1x 1.0 0.0 4.75 617 490 A 74 SER HBx A 75 ILE HG1x 1.0 0.0 4.75 618 490 A 75 ILE HG1y A 74 SER HBy 1.0 0.0 4.75 619 490 A 74 SER HBx A 75 ILE HG1y 1.0 0.0 4.75 620 491 A 75 ILE H A 75 ILE HG1x 1.0 0.0 3.55 621 491 A 75 ILE H A 75 ILE HG1y 1.0 0.0 3.55 622 492 A 75 ILE HA A 76 PRO HDx 1.0 0.0 2.99 623 492 A 75 ILE HA A 76 PRO HDy 1.0 0.0 2.99 624 493 A 75 ILE HG2% A 76 PRO HDx 1.0 0.0 3.62 625 493 A 75 ILE HG2% A 76 PRO HDy 1.0 0.0 3.62 626 494 A 75 ILE HD1% A 76 PRO HDx 1.0 0.0 5.11 627 494 A 75 ILE HD1% A 76 PRO HDy 1.0 0.0 5.11 628 495 A 78 GLY H A 76 PRO HBx 1.0 0.0 5.22 629 495 A 78 GLY H A 76 PRO HBy 1.0 0.0 5.22 630 496 A 76 PRO HG2 A 80 TRP HBx 1.0 0.0 4.48 631 496 A 80 TRP HBy A 76 PRO HG2 1.0 0.0 4.48 632 496 A 76 PRO HG3 A 80 TRP HBy 1.0 0.0 4.48 633 496 A 76 PRO HG3 A 80 TRP HBx 1.0 0.0 4.48 634 497 A 77 LYS H A 77 LYS HBx 1.0 0.0 3.80 635 497 A 77 LYS H A 77 LYS HBy 1.0 0.0 3.80 636 498 A 78 GLY H A 77 LYS HBx 1.0 0.0 4.56 637 498 A 78 GLY H A 77 LYS HBy 1.0 0.0 4.56 638 499 A 79 GLU H A 78 GLY HAx 1.0 0.0 3.16 639 499 A 79 GLU H A 78 GLY HAy 1.0 0.0 3.16 640 500 A 79 GLU H A 79 GLU HBy 1.0 0.0 3.87 641 500 A 79 GLU H A 79 GLU HBx 1.0 0.0 3.87 642 501 A 80 TRP H A 79 GLU HGy 1.0 0.0 4.87 643 501 A 80 TRP H A 79 GLU HGx 1.0 0.0 4.87 644 502 A 80 TRP HD1 A 80 TRP HBx 1.0 0.0 3.33 645 502 A 80 TRP HD1 A 80 TRP HBy 1.0 0.0 3.33 646 503 A 80 TRP HE3 A 80 TRP HBx 1.0 0.0 3.49 647 503 A 80 TRP HE3 A 80 TRP HBy 1.0 0.0 3.49 648 504 A 80 TRP HZ2 A 83 PRO HDx 1.0 0.0 4.01 649 504 A 80 TRP HZ2 A 83 PRO HDy 1.0 0.0 4.01 650 505 A 80 TRP HH2 A 82 CYS HBy 1.0 0.0 4.05 651 505 A 80 TRP HH2 A 82 CYS HBx 1.0 0.0 4.05 652 506 A 81 LEU H A 81 LEU HBy 1.0 0.0 3.58 653 506 A 81 LEU H A 81 LEU HBx 1.0 0.0 3.58 654 507 A 82 CYS H A 81 LEU HBy 1.0 0.0 4.28 655 507 A 82 CYS H A 81 LEU HBx 1.0 0.0 4.28 656 508 A 81 LEU HBy A 85 CYS HBx 1.0 0.0 4.63 657 508 A 81 LEU HBx A 85 CYS HBx 1.0 0.0 4.63 658 508 A 85 CYS HBy A 81 LEU HBy 1.0 0.0 4.63 659 508 A 81 LEU HBx A 85 CYS HBy 1.0 0.0 4.63 660 509 A 86 VAL HG2% A 81 LEU HBy 1.0 0.0 4.21 661 509 A 86 VAL HG2% A 81 LEU HBx 1.0 0.0 4.21 662 510 A 81 LEU HD1% A 85 CYS HBx 1.0 0.0 4.65 663 510 A 81 LEU HD1% A 85 CYS HBy 1.0 0.0 4.65 664 511 A 81 LEU HD2% A 85 CYS HBx 1.0 0.0 4.24 665 511 A 81 LEU HD2% A 85 CYS HBy 1.0 0.0 4.24 666 512 A 82 CYS H A 82 CYS HBy 1.0 0.0 3.72 667 512 A 82 CYS H A 82 CYS HBx 1.0 0.0 3.72 668 513 A 82 CYS H A 85 CYS HBx 1.0 0.0 4.57 669 513 A 82 CYS H A 85 CYS HBy 1.0 0.0 4.57 670 514 A 82 CYS HA A 83 PRO HDx 1.0 0.0 3.50 671 514 A 82 CYS HA A 83 PRO HDy 1.0 0.0 3.50 672 515 A 82 CYS HBy A 83 PRO HDx 1.0 0.0 4.55 673 515 A 82 CYS HBx A 83 PRO HDx 1.0 0.0 4.55 674 515 A 83 PRO HDy A 82 CYS HBy 1.0 0.0 4.55 675 515 A 82 CYS HBx A 83 PRO HDy 1.0 0.0 4.55 676 516 A 84 ARG HA A 84 ARG HGx 1.0 0.0 3.85 677 516 A 84 ARG HA A 84 ARG HGy 1.0 0.0 3.85 678 517 A 85 CYS H A 85 CYS HBx 1.0 0.0 3.54 679 517 A 85 CYS H A 85 CYS HBy 1.0 0.0 3.54 680 518 A 86 VAL H A 85 CYS HBx 1.0 0.0 4.43 681 518 A 86 VAL H A 85 CYS HBy 1.0 0.0 4.43 682 519 A 86 VAL HG2% A 85 CYS HBx 1.0 0.0 5.05 683 519 A 86 VAL HG2% A 85 CYS HBy 1.0 0.0 5.05 684 520 A 88 GLU H A 88 GLU HBx 1.0 0.0 3.32 685 520 A 88 GLU H A 88 GLU HBy 1.0 0.0 3.32 686 521 A 89 GLU H A 88 GLU HBx 1.0 0.0 3.79 687 521 A 89 GLU H A 88 GLU HBy 1.0 0.0 3.79 688 522 A 89 GLU H A 88 GLU HGy 1.0 0.0 5.24 689 522 A 89 GLU H A 88 GLU HGx 1.0 0.0 5.24 690 523 A 89 GLU H A 89 GLU HBx 1.0 0.0 3.87 691 523 A 89 GLU H A 89 GLU HBy 1.0 0.0 3.87 692 524 A 89 GLU H A 89 GLU HGy 1.0 0.0 5.48 693 524 A 89 GLU H A 89 GLU HGx 1.0 0.0 5.48 694 525 A 90 VAL H A 89 GLU HBx 1.0 0.0 4.50 695 525 A 90 VAL H A 89 GLU HBy 1.0 0.0 4.50 696 526 A 92 LYS HA A 93 PRO HDy 1.0 0.0 3.59 697 526 A 92 LYS HA A 93 PRO HDx 1.0 0.0 3.59 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 49 VAL C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -82.1 -42.1 PHI 2 2 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 GLU N 1.0 -61.3 -21.3 PSI 3 3 A 50 GLU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -88.0 -48.0 PHI 4 4 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 SER N 1.0 -34.4 11.4 PSI 5 5 A 52 SER C A 53 MET N A 53 MET CA A 53 MET C 1.0 -128.9 -49.9 PHI 6 6 A 53 MET N A 53 MET CA A 53 MET C A 54 LEU N 1.0 104.3 150.9 PSI 7 7 A 53 MET C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -149.5 -67.9 PHI 8 8 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 LEU N 1.0 116.0 156.0 PSI 9 9 A 54 LEU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -155.6 -103.4 PHI 10 10 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 CYS N 1.0 84.4 151.2 PSI 11 11 A 61 ASP C A 62 SER N A 62 SER CA A 62 SER C 1.0 -204.7 -70.1 PHI 12 12 A 62 SER N A 62 SER CA A 62 SER C A 63 TYR N 1.0 123.9 182.3 PSI 13 13 A 62 SER C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -155.6 -106.8 PHI 14 14 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 HIS N 1.0 120.3 180.5 PSI 15 15 A 79 GLU C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -155.5 -41.1 PHI 16 16 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 LEU N 1.0 101.7 154.5 PSI 17 17 A 80 TRP C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -172.1 -73.7 PHI 18 18 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 CYS N 1.0 105.9 150.5 PSI 19 19 A 83 PRO C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -85.8 -45.8 PHI 20 20 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 CYS N 1.0 -62.0 -22.0 PSI 21 21 A 84 ARG C A 85 CYS N A 85 CYS CA A 85 CYS C 1.0 -84.6 -44.6 PHI 22 22 A 85 CYS N A 85 CYS CA A 85 CYS C A 86 VAL N 1.0 -60.0 -20.0 PSI 23 23 A 85 CYS C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -83.2 -43.2 PHI 24 24 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 -56.5 -2.3 PSI stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _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 49 VAL C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -82.1 -42.1 PHI 2 2 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 GLU N 1.0 -61.3 -21.3 PSI 3 3 A 50 GLU C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -88.0 -48.0 PHI 4 4 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 SER N 1.0 -34.4 11.4 PSI 5 5 A 52 SER C A 53 MET N A 53 MET CA A 53 MET C 1.0 -128.9 -49.9 PHI 6 6 A 53 MET N A 53 MET CA A 53 MET C A 54 LEU N 1.0 104.3 150.9 PSI 7 7 A 53 MET C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -149.5 -67.9 PHI 8 8 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 LEU N 1.0 116.0 156.0 PSI 9 9 A 54 LEU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -155.6 -103.4 PHI 10 10 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 CYS N 1.0 84.4 151.2 PSI 11 11 A 61 ASP C A 62 SER N A 62 SER CA A 62 SER C 1.0 -204.7 -70.1 PHI 12 12 A 62 SER N A 62 SER CA A 62 SER C A 63 TYR N 1.0 123.9 182.3 PSI 13 13 A 62 SER C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -155.6 -106.8 PHI 14 14 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 HIS N 1.0 120.3 180.5 PSI 15 15 A 79 GLU C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -155.5 -41.1 PHI 16 16 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 LEU N 1.0 101.7 154.5 PSI 17 17 A 80 TRP C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -172.1 -73.7 PHI 18 18 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 CYS N 1.0 105.9 150.5 PSI 19 19 A 83 PRO C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -85.8 -45.8 PHI 20 20 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 CYS N 1.0 -62.0 -22.0 PSI 21 21 A 84 ARG C A 85 CYS N A 85 CYS CA A 85 CYS C 1.0 -84.6 -44.6 PHI 22 22 A 85 CYS N A 85 CYS CA A 85 CYS C A 86 VAL N 1.0 -60.0 -20.0 PSI 23 23 A 85 CYS C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -83.2 -43.2 PHI 24 24 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 VAL N 1.0 -56.5 -2.3 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.num_dimensions 3 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.num_dimensions 3 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.num_dimensions 3 save_