data_nef_c18749_2lze 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 18 HIS NE2 2 1 ZN ZN 1 34 ASP OD1 2 2 ZN ZN 1 65 ASP OD2 2 1 ZN ZN 1 20 CYS SG 2 2 ZN ZN 1 23 CYS SG 2 2 ZN ZN 1 60 CYS SG 2 1 ZN ZN 1 57 CYS SG 2 1 ZN ZN 1 28 GLU OE2 2 1 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 MET start . . 2 A 2 GLY middle . false 3 A 3 ALA middle . . 4 A 4 PRO middle . false 5 A 5 VAL middle . . 6 A 6 PRO middle . false 7 A 7 TYR middle . . 8 A 8 PRO middle . false 9 A 9 ASP middle . . 10 A 10 PRO middle . false 11 A 11 LEU middle . . 12 A 12 GLU middle . . 13 A 13 PRO middle . false 14 A 14 ARG middle . . 15 A 15 GLY middle . false 16 A 16 GLY middle . false 17 A 17 LYS middle . . 18 A 18 HIS middle -HE2 . 19 A 19 ILE middle . . 20 A 20 CYS middle -HG . 21 A 21 ALA middle . . 22 A 22 ILE middle . . 23 A 23 CYS middle -HG . 24 A 24 GLY middle . false 25 A 25 ASN middle . . 26 A 26 ASN middle . . 27 A 27 ALA middle . . 28 A 28 GLU middle . . 29 A 29 ASP middle . . 30 A 30 TYR middle . . 31 A 31 LYS middle . . 32 A 32 HIS middle . . 33 A 33 THR middle . . 34 A 34 ASP middle . . 35 A 35 MET middle . . 36 A 36 ASP middle . . 37 A 37 LEU middle . . 38 A 38 THR middle . . 39 A 39 TYR middle . . 40 A 40 THR middle . . 41 A 41 ASP middle . . 42 A 42 ARG middle . . 43 A 43 ASP middle . . 44 A 44 TYR middle . . 45 A 45 LYS middle . . 46 A 46 ASN middle . . 47 A 47 CYS middle . . 48 A 48 GLU middle . . 49 A 49 SER middle . . 50 A 50 TYR middle . . 51 A 51 HIS middle . . 52 A 52 LYS middle . . 53 A 53 CYS middle . . 54 A 54 SER middle . . 55 A 55 ASP middle . . 56 A 56 LEU middle . . 57 A 57 CYS middle -HG . 58 A 58 GLN middle . . 59 A 59 TYR middle . . 60 A 60 CYS middle -HG . 61 A 61 ARG middle . . 62 A 62 TYR middle . . 63 A 63 GLN middle . . 64 A 64 LYS middle . . 65 A 65 ASP middle . . 66 A 66 LEU middle . . 67 A 67 ALA middle . . 68 A 68 ILE middle . . 69 A 69 HIS middle . . 70 A 70 HIS middle . . 71 A 71 GLN middle . . 72 A 72 HIS middle . . 73 A 73 HIS middle . . 74 A 74 HIS middle . . 75 A 75 GLY middle . false 76 A 76 GLY middle . false 77 A 77 SER middle . . 78 A 78 MET middle . . 79 A 79 GLY middle . false 80 A 80 MET middle . . 81 A 81 SER middle . . 82 A 82 GLY middle . false 83 A 83 SER middle . . 84 A 84 GLY middle . false 85 A 85 THR middle . . 86 A 86 GLY middle . false 87 A 87 TYR end . . 88 B 1 ZN . . . 89 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 4 PRO HA H 1 4.391 0.04 A 4 PRO HBx H 1 2.184 0.04 A 4 PRO HBy H 1 2.184 0.04 A 4 PRO HDx H 1 3.58 0.04 A 4 PRO HDy H 1 3.58 0.04 A 4 PRO HGx H 1 1.949 0.04 A 4 PRO HGy H 1 1.949 0.04 A 4 PRO C C 13 176.097 0.5 A 4 PRO CA C 13 62.96475 0.5 A 4 PRO CB C 13 31.90175 0.5 A 4 PRO CD C 13 50.411 0.5 A 4 PRO CG C 13 27.531 0.5 A 5 VAL H H 1 8.149 0.04 A 5 VAL HA H 1 4.341 0.04 A 5 VAL HB H 1 2.021 0.04 A 5 VAL HGx% H 1 0.925 0.04 A 5 VAL HGy% H 1 0.925 0.04 A 5 VAL CA C 13 59.763 0.5 A 5 VAL CB C 13 32.567 0.5 A 5 VAL N N 15 121.993 0.3 A 6 PRO HA H 1 4.256 0.04 A 6 PRO HBx H 1 2.084 0.04 A 6 PRO HBy H 1 2.084 0.04 A 6 PRO HDx H 1 3.593 0.04 A 6 PRO HDy H 1 3.593 0.04 A 6 PRO HGx H 1 1.852 0.04 A 6 PRO HGy H 1 1.852 0.04 A 6 PRO C C 13 176.167 0.5 A 6 PRO CA C 13 63.13775 0.5 A 6 PRO CB C 13 31.87725 0.5 A 6 PRO CD C 13 50.858 0.5 A 6 PRO CG C 13 27.377 0.5 A 7 TYR H H 1 7.945 0.04 A 7 TYR HA H 1 4.443 0.04 A 7 TYR HBy H 1 2.979 0.04 A 7 TYR HBx H 1 2.812 0.04 A 7 TYR CA C 13 55.602 0.5 A 7 TYR CB C 13 38.212 0.5 A 7 TYR N N 15 121.107 0.3 A 8 PRO HA H 1 4.288 0.04 A 8 PRO HBx H 1 2.104 0.04 A 8 PRO HBy H 1 2.104 0.04 A 8 PRO HDy H 1 3.638 0.04 A 8 PRO HDx H 1 3.361 0.04 A 8 PRO HGx H 1 1.835 0.04 A 8 PRO HGy H 1 1.835 0.04 A 8 PRO C C 13 176.122 0.5 A 8 PRO CA C 13 62.9835 0.5 A 8 PRO CB C 13 31.91325 0.5 A 8 PRO CD C 13 50.567 0.5 A 8 PRO CG C 13 27.377 0.5 A 9 ASP H H 1 8.204 0.04 A 9 ASP HA H 1 4.466 0.04 A 9 ASP HBy H 1 2.699 0.04 A 9 ASP HBx H 1 2.473 0.04 A 9 ASP CA C 13 52.317 0.5 A 9 ASP CB C 13 41.371 0.5 A 9 ASP N N 15 122.332 0.3 A 10 PRO HA H 1 4.309 0.04 A 10 PRO HBx H 1 2.209 0.04 A 10 PRO HBy H 1 2.209 0.04 A 10 PRO HDx H 1 3.783 0.04 A 10 PRO HDy H 1 3.783 0.04 A 10 PRO HGx H 1 1.925 0.04 A 10 PRO HGy H 1 1.925 0.04 A 10 PRO C C 13 177.003 0.5 A 10 PRO CA C 13 63.635 0.5 A 10 PRO CB C 13 32.207 0.5 A 10 PRO CD C 13 50.881 0.5 A 10 PRO CG C 13 27.373 0.5 A 11 LEU H H 1 8.295 0.04 A 11 LEU HA H 1 4.2205 0.04 A 11 LEU HBx H 1 1.649 0.04 A 11 LEU HBy H 1 1.649 0.04 A 11 LEU HDx% H 1 0.799 0.04 A 11 LEU HDy% H 1 0.799 0.04 A 11 LEU HG H 1 1.496 0.04 A 11 LEU C C 13 177.277 0.5 A 11 LEU CA C 13 54.93825 0.5 A 11 LEU CB C 13 41.90825 0.5 A 11 LEU CDy C 13 25.05 0.5 A 11 LEU CDx C 13 23.246 0.5 A 11 LEU CG C 13 27.209 0.5 A 11 LEU N N 15 120.566 0.3 A 12 GLU H H 1 7.857 0.04 A 12 GLU HA H 1 4.384 0.04 A 12 GLU HBx H 1 1.839 0.04 A 12 GLU HBy H 1 1.839 0.04 A 12 GLU HGx H 1 2.154 0.04 A 12 GLU HGy H 1 2.154 0.04 A 12 GLU CA C 13 54.384 0.5 A 12 GLU CB C 13 29.988 0.5 A 12 GLU N N 15 122.415 0.3 A 13 PRO HA H 1 4.249 0.04 A 13 PRO HBx H 1 2.1 0.04 A 13 PRO HBy H 1 2.1 0.04 A 13 PRO HDx H 1 3.551 0.04 A 13 PRO HDy H 1 3.551 0.04 A 13 PRO HGx H 1 1.847 0.04 A 13 PRO HGy H 1 1.847 0.04 A 13 PRO C C 13 177.132 0.5 A 13 PRO CA C 13 63.45775 0.5 A 13 PRO CB C 13 31.862 0.5 A 13 PRO CD C 13 50.683 0.5 A 13 PRO CG C 13 27.587 0.5 A 14 ARG H H 1 8.337 0.04 A 14 ARG HA H 1 4.159 0.04 A 14 ARG HDx H 1 3.032 0.04 A 14 ARG HDy H 1 3.032 0.04 A 14 ARG HGx H 1 1.521 0.04 A 14 ARG HGy H 1 1.521 0.04 A 14 ARG CA C 13 56.16225 0.5 A 14 ARG CB C 13 30.632 0.5 A 14 ARG CD C 13 43.526 0.5 A 14 ARG CG C 13 27.236 0.5 A 14 ARG N N 15 121.214 0.3 A 15 GLY H H 1 8.28 0.04 A 15 GLY HAx H 1 3.843 0.04 A 15 GLY HAy H 1 3.843 0.04 A 15 GLY C C 13 174.13 0.5 A 15 GLY CA C 13 45.312 0.5 A 15 GLY N N 15 109.686 0.3 A 16 GLY H H 1 7.764 0.04 A 16 GLY HAy H 1 3.513 0.04 A 16 GLY HAx H 1 3.253 0.04 A 16 GLY C C 13 172.056 0.5 A 16 GLY CA C 13 44.89475 0.5 A 16 GLY N N 15 108.011 0.3 A 17 LYS H H 1 7.347 0.04 A 17 LYS HA H 1 4.135 0.04 A 17 LYS HDx H 1 1.4435 0.04 A 17 LYS HDy H 1 1.4435 0.04 A 17 LYS HEx H 1 2.781 0.04 A 17 LYS HEy H 1 2.781 0.04 A 17 LYS HGy H 1 1.331 0.04 A 17 LYS HGx H 1 1.11 0.04 A 17 LYS C C 13 175.259 0.5 A 17 LYS CA C 13 53.914 0.5 A 17 LYS CB C 13 35.2195 0.5 A 17 LYS CD C 13 29.08 0.5 A 17 LYS CE C 13 42.618 0.5 A 17 LYS CG C 13 24.318 0.5 A 17 LYS N N 15 117.049 0.3 A 18 HIS H H 1 8.896 0.04 A 18 HIS HBy H 1 2.825 0.04 A 18 HIS HBx H 1 2.269 0.04 A 18 HIS C C 13 175.419 0.5 A 18 HIS CA C 13 57.086 0.5 A 18 HIS CB C 13 30.49175 0.5 A 18 HIS N N 15 120.426 0.3 A 19 ILE H H 1 8.18 0.04 A 19 ILE HA H 1 4.4535 0.04 A 19 ILE HB H 1 1.824 0.04 A 19 ILE HG1x H 1 1.296 0.04 A 19 ILE HG1y H 1 1.296 0.04 A 19 ILE HG2% H 1 0.665 0.04 A 19 ILE C C 13 175.138 0.5 A 19 ILE CA C 13 59.18875 0.5 A 19 ILE CB C 13 41.81575 0.5 A 19 ILE CG1 C 13 27.493 0.5 A 19 ILE CG2 C 13 17.219 0.5 A 19 ILE N N 15 126.193 0.3 A 20 CYS H H 1 8.382 0.04 A 20 CYS HA H 1 4.915 0.04 A 20 CYS HBy H 1 3.1045 0.04 A 20 CYS HBx H 1 2.127 0.04 A 20 CYS C C 13 174.996 0.5 A 20 CYS CA C 13 57.3695 0.5 A 20 CYS CB C 13 32.008 0.5 A 20 CYS N N 15 127.805 0.3 A 21 ALA H H 1 8.742 0.04 A 21 ALA HA H 1 4.1625 0.04 A 21 ALA HB% H 1 1.5515 0.04 A 21 ALA C C 13 177.885 0.5 A 21 ALA CA C 13 54.4915 0.5 A 21 ALA CB C 13 19.6245 0.5 A 21 ALA N N 15 135.406 0.3 A 22 ILE H H 1 8.15 0.04 A 22 ILE HA H 1 3.8605 0.04 A 22 ILE HB H 1 2.207 0.04 A 22 ILE HG1y H 1 1.528 0.04 A 22 ILE HG1x H 1 1.242 0.04 A 22 ILE HG2% H 1 0.9155 0.04 A 22 ILE C C 13 176.914 0.5 A 22 ILE CA C 13 63.2175 0.5 A 22 ILE CB C 13 37.3715 0.5 A 22 ILE CG1 C 13 27.608 0.5 A 22 ILE CG2 C 13 18.192 0.5 A 22 ILE N N 15 119.063 0.3 A 23 CYS H H 1 7.238 0.04 A 23 CYS HBx H 1 3.057 0.04 A 23 CYS HBy H 1 3.057 0.04 A 23 CYS C C 13 176.216 0.5 A 23 CYS CA C 13 57.878 0.5 A 23 CYS CB C 13 30.456 0.5 A 23 CYS N N 15 114.362 0.3 A 24 GLY H H 1 7.566 0.04 A 24 GLY HAy H 1 3.977 0.04 A 24 GLY HAx H 1 3.7395 0.04 A 24 GLY C C 13 173.367 0.5 A 24 GLY CA C 13 46.222 0.5 A 24 GLY N N 15 111.898 0.3 A 25 ASN H H 1 7.781 0.04 A 25 ASN HA H 1 4.763 0.04 A 25 ASN HBy H 1 2.576 0.04 A 25 ASN HBx H 1 2.2915 0.04 A 25 ASN C C 13 174.631 0.5 A 25 ASN CA C 13 51.9005 0.5 A 25 ASN CB C 13 40.66575 0.5 A 25 ASN N N 15 117.684 0.3 A 26 ASN H H 1 8.562 0.04 A 26 ASN HA H 1 4.57 0.04 A 26 ASN HBx H 1 2.872 0.04 A 26 ASN HBy H 1 2.872 0.04 A 26 ASN C C 13 175.502 0.5 A 26 ASN CA C 13 53.98 0.5 A 26 ASN CB C 13 38.0665 0.5 A 26 ASN N N 15 118.294 0.3 A 27 ALA H H 1 8.217 0.04 A 27 ALA HB% H 1 0.748 0.04 A 27 ALA C C 13 177.92 0.5 A 27 ALA CA C 13 53.567 0.5 A 27 ALA CB C 13 18.85225 0.5 A 27 ALA N N 15 126.538 0.3 A 28 GLU H H 1 8.608 0.04 A 28 GLU HA H 1 4.099 0.04 A 28 GLU HGx H 1 2.138 0.04 A 28 GLU HGy H 1 2.138 0.04 A 28 GLU C C 13 177.423 0.5 A 28 GLU CA C 13 57.783 0.5 A 28 GLU CB C 13 30.926 0.5 A 28 GLU CG C 13 37.655 0.5 A 28 GLU N N 15 112.911 0.3 A 29 ASP H H 1 7.272 0.04 A 29 ASP HA H 1 4.434 0.04 A 29 ASP HBx H 1 2.401 0.04 A 29 ASP HBy H 1 2.401 0.04 A 29 ASP C C 13 174.486 0.5 A 29 ASP CA C 13 55.34925 0.5 A 29 ASP CB C 13 42.59625 0.5 A 29 ASP N N 15 116.209 0.3 A 30 TYR H H 1 7.281 0.04 A 30 TYR HBy H 1 3.308 0.04 A 30 TYR HBx H 1 2.558 0.04 A 30 TYR CA C 13 57.018 0.5 A 30 TYR CB C 13 43.459 0.5 A 30 TYR N N 15 116.344 0.3 A 31 LYS C C 13 177.018 0.5 A 32 HIS H H 1 7.691 0.04 A 32 HIS HA H 1 3.802 0.04 A 32 HIS HBx H 1 1.944 0.04 A 32 HIS HBy H 1 1.944 0.04 A 32 HIS C C 13 173.979 0.5 A 32 HIS CA C 13 55.1355 0.5 A 32 HIS CB C 13 33.12775 0.5 A 32 HIS N N 15 116.17 0.3 A 33 THR H H 1 8.051 0.04 A 33 THR HA H 1 4.424 0.04 A 33 THR HG2% H 1 1.114 0.04 A 33 THR C C 13 175.107 0.5 A 33 THR CA C 13 60.21825 0.5 A 33 THR CB C 13 69.476 0.5 A 33 THR N N 15 108.605 0.3 A 34 ASP H H 1 7.973 0.04 A 34 ASP HA H 1 4.5895 0.04 A 34 ASP HBy H 1 3.002 0.04 A 34 ASP HBx H 1 2.745 0.04 A 34 ASP C C 13 175.334 0.5 A 34 ASP CA C 13 53.56375 0.5 A 34 ASP CB C 13 40.42025 0.5 A 34 ASP N N 15 121.404 0.3 A 35 MET H H 1 7.585 0.04 A 35 MET HA H 1 4.398 0.04 A 35 MET HBx H 1 1.732 0.04 A 35 MET HBy H 1 1.732 0.04 A 35 MET HE% H 1 1.525 0.04 A 35 MET HGx H 1 2.3435 0.04 A 35 MET HGy H 1 2.3435 0.04 A 35 MET C C 13 174.846 0.5 A 35 MET CA C 13 55.631 0.5 A 35 MET CB C 13 33.382 0.5 A 35 MET CG C 13 32.353 0.5 A 35 MET N N 15 119.898 0.3 A 36 ASP H H 1 8.36 0.04 A 36 ASP HA H 1 4.486 0.04 A 36 ASP HBx H 1 2.57 0.04 A 36 ASP HBy H 1 2.57 0.04 A 36 ASP C C 13 176.456 0.5 A 36 ASP CA C 13 54.279 0.5 A 36 ASP CB C 13 41.156 0.5 A 36 ASP N N 15 123.631 0.3 A 37 LEU H H 1 8.224 0.04 A 37 LEU HA H 1 4.303 0.04 A 37 LEU HDx% H 1 0.792 0.04 A 37 LEU HDy% H 1 0.792 0.04 A 37 LEU C C 13 177.554 0.5 A 37 LEU CA C 13 55.317 0.5 A 37 LEU CB C 13 41.945 0.5 A 37 LEU CDy C 13 25.388 0.5 A 37 LEU CDx C 13 23.235 0.5 A 37 LEU CG C 13 26.995 0.5 A 37 LEU N N 15 123.812 0.3 A 38 THR H H 1 8.321 0.04 A 38 THR HA H 1 4.153 0.04 A 38 THR HB H 1 4.029 0.04 A 38 THR HG2% H 1 1.001 0.04 A 38 THR C C 13 174.786 0.5 A 38 THR CA C 13 62.673 0.5 A 38 THR CB C 13 69.79225 0.5 A 38 THR N N 15 113.723 0.3 A 39 TYR H H 1 7.92 0.04 A 39 TYR HBx H 1 2.921 0.04 A 39 TYR HBy H 1 2.921 0.04 A 39 TYR C C 13 175.992 0.5 A 39 TYR CA C 13 58.083 0.5 A 39 TYR CB C 13 38.3085 0.5 A 39 TYR N N 15 121.098 0.3 A 40 THR H H 1 7.885 0.04 A 40 THR HB H 1 4.231 0.04 A 40 THR HG2% H 1 1.063 0.04 A 40 THR C C 13 174.356 0.5 A 40 THR CA C 13 61.8015 0.5 A 40 THR CB C 13 69.96475 0.5 A 40 THR N N 15 113.38 0.3 A 41 ASP H H 1 8.184 0.04 A 41 ASP HA H 1 4.468 0.04 A 41 ASP HBx H 1 2.654 0.04 A 41 ASP HBy H 1 2.654 0.04 A 41 ASP C C 13 176.338 0.5 A 41 ASP CA C 13 54.67375 0.5 A 41 ASP CB C 13 40.996 0.5 A 41 ASP N N 15 121.537 0.3 A 42 ARG H H 1 7.997 0.04 A 42 ARG HA H 1 4.1715 0.04 A 42 ARG HBx H 1 1.727 0.04 A 42 ARG HBy H 1 1.727 0.04 A 42 ARG HDx H 1 3.068 0.04 A 42 ARG HDy H 1 3.068 0.04 A 42 ARG HGx H 1 1.535 0.04 A 42 ARG HGy H 1 1.535 0.04 A 42 ARG C C 13 175.906 0.5 A 42 ARG CA C 13 56.644 0.5 A 42 ARG CB C 13 30.788 0.5 A 42 ARG CD C 13 43.459 0.5 A 42 ARG CG C 13 26.924 0.5 A 42 ARG N N 15 119.745 0.3 A 43 ASP H H 1 8.181 0.04 A 43 ASP HA H 1 4.503 0.04 A 43 ASP HBx H 1 2.526 0.04 A 43 ASP HBy H 1 2.526 0.04 A 43 ASP C C 13 175.599 0.5 A 43 ASP CA C 13 54.3685 0.5 A 43 ASP CB C 13 41.07125 0.5 A 43 ASP N N 15 119.314 0.3 A 44 TYR H H 1 7.806 0.04 A 44 TYR HA H 1 4.324 0.04 A 44 TYR HBx H 1 2.9275 0.04 A 44 TYR HBy H 1 2.9275 0.04 A 44 TYR C C 13 175.321 0.5 A 44 TYR CA C 13 58.5525 0.5 A 44 TYR CB C 13 38.61375 0.5 A 44 TYR N N 15 120.178 0.3 A 45 LYS H H 1 7.731 0.04 A 45 LYS CA C 13 55.745 0.5 A 45 LYS CB C 13 33.789 0.5 A 45 LYS N N 15 123.353 0.3 A 47 CYS H H 1 8.811 0.04 A 47 CYS N N 15 125.06 0.3 A 48 GLU C C 13 178.473 0.5 A 49 SER H H 1 8.737 0.04 A 49 SER C C 13 172.276 0.5 A 49 SER CA C 13 61.125 0.5 A 49 SER CB C 13 63.2235 0.5 A 49 SER N N 15 120.359 0.3 A 50 TYR H H 1 6.326 0.04 A 50 TYR C C 13 175.624 0.5 A 50 TYR CA C 13 59.205 0.5 A 50 TYR CB C 13 38.1965 0.5 A 50 TYR N N 15 110.556 0.3 A 51 HIS H H 1 5.89 0.04 A 51 HIS HA H 1 3.757 0.04 A 51 HIS C C 13 176.588 0.5 A 51 HIS CA C 13 59.323 0.5 A 51 HIS CB C 13 27.5135 0.5 A 51 HIS N N 15 119.871 0.3 A 52 LYS H H 1 7.66 0.04 A 52 LYS C C 13 178.958 0.5 A 52 LYS CA C 13 58.9215 0.5 A 52 LYS CB C 13 31.2915 0.5 A 52 LYS N N 15 122.505 0.3 A 53 CYS H H 1 8.256 0.04 A 53 CYS HBy H 1 3.159 0.04 A 53 CYS HBx H 1 2.863 0.04 A 53 CYS C C 13 179.241 0.5 A 53 CYS CA C 13 64.8025 0.5 A 53 CYS CB C 13 30.90625 0.5 A 53 CYS N N 15 117.268 0.3 A 54 SER H H 1 7.671 0.04 A 54 SER HA H 1 3.839 0.04 A 54 SER HBy H 1 3.574 0.04 A 54 SER HBx H 1 3.394 0.04 A 54 SER C C 13 175.922 0.5 A 54 SER CA C 13 60.263 0.5 A 54 SER CB C 13 64.1195 0.5 A 54 SER N N 15 111.716 0.3 A 55 ASP H H 1 7.438 0.04 A 55 ASP HA H 1 4.295 0.04 A 55 ASP HBy H 1 2.788 0.04 A 55 ASP HBx H 1 2.577 0.04 A 55 ASP C C 13 178.101 0.5 A 55 ASP CA C 13 57.387 0.5 A 55 ASP CB C 13 40.31475 0.5 A 55 ASP N N 15 119.056 0.3 A 56 LEU H H 1 7.565 0.04 A 56 LEU HA H 1 4.168 0.04 A 56 LEU HDx% H 1 0.727 0.04 A 56 LEU HDy% H 1 0.727 0.04 A 56 LEU C C 13 176.25 0.5 A 56 LEU CA C 13 55.33275 0.5 A 56 LEU CB C 13 43.17325 0.5 A 56 LEU CDx C 13 22.475 0.5 A 56 LEU CDy C 13 22.475 0.5 A 56 LEU CG C 13 25.857 0.5 A 56 LEU N N 15 118.324 0.3 A 57 CYS H H 1 7.265 0.04 A 57 CYS HA H 1 4.255 0.04 A 57 CYS HBx H 1 3.339 0.04 A 57 CYS HBy H 1 3.339 0.04 A 57 CYS C C 13 177.371 0.5 A 57 CYS CA C 13 59.255 0.5 A 57 CYS CB C 13 30.1285 0.5 A 57 CYS N N 15 124.095 0.3 A 58 GLN H H 1 9.451 0.04 A 58 GLN HA H 1 3.923 0.04 A 58 GLN HGx H 1 2.426 0.04 A 58 GLN HGy H 1 2.426 0.04 A 58 GLN C C 13 178.435 0.5 A 58 GLN CA C 13 59.28775 0.5 A 58 GLN CB C 13 28.1945 0.5 A 58 GLN CG C 13 33.997 0.5 A 58 GLN N N 15 131.839 0.3 A 59 TYR H H 1 8.699 0.04 A 59 TYR HA H 1 4.4295 0.04 A 59 TYR HBy H 1 2.732 0.04 A 59 TYR HBx H 1 2.085 0.04 A 59 TYR C C 13 178.722 0.5 A 59 TYR CA C 13 60.2955 0.5 A 59 TYR CB C 13 38.59075 0.5 A 59 TYR N N 15 124.026 0.3 A 60 CYS H H 1 8.432 0.04 A 60 CYS HA H 1 4.317 0.04 A 60 CYS HBy H 1 3.381 0.04 A 60 CYS HBx H 1 2.924 0.04 A 60 CYS C C 13 176.011 0.5 A 60 CYS CA C 13 64.4985 0.5 A 60 CYS CB C 13 30.20325 0.5 A 60 CYS N N 15 122.268 0.3 A 61 ARG H H 1 7.265 0.04 A 61 ARG HA H 1 3.895 0.04 A 61 ARG HDx H 1 3.069 0.04 A 61 ARG HDy H 1 3.069 0.04 A 61 ARG HGx H 1 1.623 0.04 A 61 ARG HGy H 1 1.623 0.04 A 61 ARG C C 13 176.965 0.5 A 61 ARG CA C 13 58.3355 0.5 A 61 ARG CB C 13 29.7715 0.5 A 61 ARG CD C 13 43.319 0.5 A 61 ARG CG C 13 27.378 0.5 A 61 ARG N N 15 116.449 0.3 A 62 TYR H H 1 7.259 0.04 A 62 TYR HA H 1 4.469 0.04 A 62 TYR HBy H 1 2.955 0.04 A 62 TYR HBx H 1 2.778 0.04 A 62 TYR C C 13 175.562 0.5 A 62 TYR CA C 13 58.5655 0.5 A 62 TYR CB C 13 39.18175 0.5 A 62 TYR N N 15 117.341 0.3 A 63 GLN H H 1 7.856 0.04 A 63 GLN HA H 1 4.2105 0.04 A 63 GLN HBy H 1 1.706 0.04 A 63 GLN HBx H 1 1.358 0.04 A 63 GLN HGx H 1 2.006 0.04 A 63 GLN HGy H 1 2.006 0.04 A 63 GLN C C 13 173.076 0.5 A 63 GLN CA C 13 54.492 0.5 A 63 GLN CB C 13 29.4015 0.5 A 63 GLN CG C 13 33.812 0.5 A 63 GLN N N 15 121.663 0.3 A 64 LYS H H 1 8.204 0.04 A 64 LYS HA H 1 4.301 0.04 A 64 LYS HBx H 1 1.732 0.04 A 64 LYS HBy H 1 1.732 0.04 A 64 LYS HDx H 1 1.399 0.04 A 64 LYS HDy H 1 1.399 0.04 A 64 LYS C C 13 177.301 0.5 A 64 LYS CA C 13 58.18175 0.5 A 64 LYS CB C 13 32.5135 0.5 A 64 LYS CD C 13 29.546 0.5 A 64 LYS CG C 13 24.642 0.5 A 64 LYS N N 15 127.668 0.3 A 65 ASP H H 1 8.677 0.04 A 65 ASP HBy H 1 2.5175 0.04 A 65 ASP HBx H 1 2.265 0.04 A 65 ASP C C 13 174.529 0.5 A 65 ASP CA C 13 53.23175 0.5 A 65 ASP CB C 13 41.22225 0.5 A 65 ASP N N 15 131.04 0.3 A 66 LEU H H 1 8.733 0.04 A 66 LEU HA H 1 4.088 0.04 A 66 LEU HBy H 1 1.764 0.04 A 66 LEU HBx H 1 1.454 0.04 A 66 LEU HDx% H 1 0.953 0.04 A 66 LEU HDy% H 1 0.953 0.04 A 66 LEU C C 13 178.676 0.5 A 66 LEU CA C 13 57.83575 0.5 A 66 LEU CB C 13 43.196 0.5 A 66 LEU CDx C 13 25.628 0.5 A 66 LEU CDy C 13 25.628 0.5 A 66 LEU N N 15 125.688 0.3 A 67 ALA H H 1 8.076 0.04 A 67 ALA HB% H 1 1.388 0.04 A 67 ALA C C 13 180.513 0.5 A 67 ALA CA C 13 55.1505 0.5 A 67 ALA CB C 13 18.11825 0.5 A 67 ALA N N 15 119.916 0.3 A 68 ILE H H 1 7.342 0.04 A 68 ILE HA H 1 3.6595 0.04 A 68 ILE HD1% H 1 0.212 0.04 A 68 ILE HG1y H 1 1.194 0.04 A 68 ILE HG1x H 1 0.953 0.04 A 68 ILE HG2% H 1 0.65 0.04 A 68 ILE C C 13 177.647 0.5 A 68 ILE CA C 13 63.2675 0.5 A 68 ILE CB C 13 37.338 0.5 A 68 ILE CG1 C 13 29.063 0.5 A 68 ILE N N 15 119.735 0.3 A 69 HIS H H 1 6.608 0.04 A 69 HIS HA H 1 4.303 0.04 A 69 HIS CA C 13 59.224 0.5 A 69 HIS CB C 13 28.569 0.5 A 69 HIS N N 15 119.542 0.3 A 84 GLY HAx H 1 3.948 0.04 A 84 GLY HAy H 1 3.948 0.04 A 84 GLY C C 13 174.391 0.5 A 84 GLY CA C 13 45.472 0.5 A 85 THR H H 1 8.012 0.04 A 85 THR HG2% H 1 1.067 0.04 A 85 THR C C 13 175.056 0.5 A 85 THR CA C 13 61.9805 0.5 A 85 THR CB C 13 69.868 0.5 A 85 THR N N 15 112.734 0.3 A 86 GLY H H 1 8.276 0.04 A 86 GLY HAx H 1 3.789 0.04 A 86 GLY HAy H 1 3.789 0.04 A 86 GLY C C 13 172.909 0.5 A 86 GLY CA C 13 45.26775 0.5 A 86 GLY N N 15 111.173 0.3 A 87 TYR H H 1 7.541 0.04 A 87 TYR HA H 1 4.335 0.04 A 87 TYR HBy H 1 2.983 0.04 A 87 TYR HBx H 1 2.802 0.04 A 87 TYR CA C 13 59.109 0.5 A 87 TYR CB C 13 39.454 0.5 A 87 TYR N N 15 124.767 0.3 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 5 VAL H A 4 PRO HA 1.0 1.8 2.9 2 2 A 7 TYR H A 6 PRO HA 1.0 1.8 3.5 3 3 A 7 TYR H A 7 TYR HBy 1.0 1.8 2.9 4 3 A 7 TYR H A 7 TYR HBx 1.0 1.8 2.9 5 4 A 9 ASP H A 8 PRO HA 1.0 1.8 2.9 6 5 A 9 ASP H A 9 ASP HBy 1.0 1.8 2.9 7 5 A 9 ASP H A 9 ASP HBx 1.0 1.8 2.9 8 6 A 11 LEU H A 10 PRO HA 1.0 1.8 3.5 9 7 A 11 LEU H A 11 LEU HA 1.0 1.8 2.9 10 8 A 11 LEU H A 11 LEU HBx 1.0 1.8 2.9 11 8 A 11 LEU H A 11 LEU HBy 1.0 1.8 2.9 12 9 A 11 LEU H A 11 LEU HG 1.0 1.8 2.9 13 10 A 11 LEU H A 12 GLU H 1.0 1.8 2.9 14 11 A 11 LEU HA A 12 GLU H 1.0 1.8 3.4 15 12 A 11 LEU H A 12 GLU H 1.0 1.8 2.9 16 13 A 12 GLU H A 12 GLU HA 1.0 1.8 2.9 17 14 A 12 GLU H A 12 GLU HBx 1.0 1.8 2.9 18 14 A 12 GLU H A 12 GLU HBy 1.0 1.8 2.9 19 15 A 17 LYS H A 16 GLY HAy 1.0 1.8 2.9 20 15 A 17 LYS H A 16 GLY HAx 1.0 1.8 2.9 21 16 A 17 LYS H A 17 LYS HGy 1.0 1.8 2.9 22 16 A 17 LYS H A 17 LYS HGx 1.0 1.8 2.9 23 17 A 18 HIS H A 17 LYS HA 1.0 1.8 3.5 24 18 A 18 HIS H A 18 HIS HBy 1.0 1.8 2.9 25 18 A 18 HIS H A 18 HIS HBx 1.0 1.8 2.9 26 19 A 20 CYS H A 19 ILE HA 1.0 1.8 2.9 27 20 A 20 CYS H A 27 ALA HB% 1.0 1.8 2.9 28 20 A 20 CYS H A 19 ILE HG2% 1.0 1.8 2.9 29 21 A 20 CYS H A 20 CYS HBy 1.0 1.8 2.9 30 21 A 20 CYS H A 20 CYS HBx 1.0 1.8 2.9 31 22 A 21 ALA H A 20 CYS HA 1.0 1.8 2.9 32 23 A 21 ALA H A 21 ALA HB% 1.0 1.8 2.9 33 24 A 21 ALA HB% A 22 ILE H 1.0 1.8 2.9 34 25 A 22 ILE H A 22 ILE HB 1.0 1.8 2.9 35 26 A 22 ILE H A 22 ILE HG2% 1.0 1.8 4.0 36 27 A 22 ILE H A 23 CYS H 1.0 1.8 2.9 37 28 A 22 ILE HB A 23 CYS H 1.0 1.8 2.9 38 29 A 22 ILE HG2% A 23 CYS H 1.0 1.8 2.9 39 30 A 22 ILE H A 23 CYS H 1.0 1.8 2.9 40 31 A 23 CYS H A 23 CYS HBx 1.0 1.8 2.9 41 31 A 23 CYS H A 23 CYS HBy 1.0 1.8 2.9 42 32 A 23 CYS H A 24 GLY H 1.0 1.8 2.9 43 33 A 23 CYS H A 24 GLY H 1.0 1.8 2.9 44 34 A 24 GLY H A 24 GLY HAy 1.0 1.8 2.9 45 34 A 24 GLY H A 24 GLY HAx 1.0 1.8 2.9 46 35 A 25 ASN H A 23 CYS HBx 1.0 1.8 2.9 47 35 A 23 CYS HBy A 25 ASN H 1.0 1.8 2.9 48 36 A 25 ASN H A 24 GLY HAy 1.0 1.8 2.9 49 36 A 24 GLY HAx A 25 ASN H 1.0 1.8 2.9 50 37 A 24 GLY H A 25 ASN H 1.0 1.8 2.9 51 38 A 25 ASN H A 25 ASN HA 1.0 1.8 2.9 52 39 A 25 ASN H A 25 ASN HBy 1.0 1.8 2.9 53 39 A 25 ASN H A 25 ASN HBx 1.0 1.8 2.9 54 40 A 25 ASN HA A 26 ASN H 1.0 1.8 2.9 55 41 A 26 ASN H A 25 ASN HBy 1.0 1.8 4.0 56 41 A 25 ASN HBx A 26 ASN H 1.0 1.8 4.0 57 42 A 26 ASN H A 26 ASN HBx 1.0 1.8 2.9 58 42 A 26 ASN H A 26 ASN HBy 1.0 1.8 2.9 59 43 A 27 ALA H A 26 ASN HA 1.0 1.8 3.4 60 44 A 29 ASP H A 29 ASP HA 1.0 1.8 2.9 61 45 A 29 ASP H A 29 ASP HBx 1.0 1.8 2.9 62 45 A 29 ASP H A 29 ASP HBy 1.0 1.8 2.9 63 46 A 30 TYR H A 30 TYR HBy 1.0 1.8 2.9 64 46 A 30 TYR H A 30 TYR HBx 1.0 1.8 2.9 65 47 A 33 THR H A 34 ASP H 1.0 1.8 2.9 66 48 A 34 ASP H A 34 ASP HBy 1.0 1.8 2.9 67 48 A 34 ASP H A 34 ASP HBx 1.0 1.8 2.9 68 49 A 34 ASP H A 35 MET H 1.0 1.8 2.9 69 50 A 35 MET H A 35 MET HA 1.0 1.8 2.9 70 51 A 35 MET H A 35 MET HBx 1.0 1.8 2.9 71 51 A 35 MET H A 35 MET HBy 1.0 1.8 2.9 72 52 A 37 LEU H A 36 ASP HA 1.0 1.8 2.9 73 53 A 44 TYR H A 43 ASP HA 1.0 1.8 2.9 74 54 A 44 TYR H A 44 TYR HBx 1.0 1.8 2.9 75 54 A 44 TYR H A 44 TYR HBy 1.0 1.8 2.9 76 55 A 54 SER H A 54 SER HBy 1.0 1.8 2.9 77 55 A 54 SER H A 54 SER HBx 1.0 1.8 2.9 78 56 A 55 ASP H A 55 ASP HBy 1.0 1.8 2.9 79 56 A 55 ASP H A 55 ASP HBx 1.0 1.8 2.9 80 57 A 56 LEU H A 56 LEU HBx 1.0 1.8 2.9 81 57 A 56 LEU H A 56 LEU HBy 1.0 1.8 2.9 82 58 A 56 LEU H A 56 LEU HDx% 1.0 1.8 2.9 83 58 A 56 LEU H A 56 LEU HDy% 1.0 1.8 2.9 84 59 A 56 LEU H A 57 CYS H 1.0 1.8 2.9 85 60 A 57 CYS H A 57 CYS HBx 1.0 1.8 2.9 86 60 A 57 CYS H A 57 CYS HBy 1.0 1.8 2.9 87 61 A 59 TYR H A 59 TYR HA 1.0 1.8 2.9 88 62 A 59 TYR H A 59 TYR HBy 1.0 1.8 2.9 89 62 A 59 TYR H A 59 TYR HBx 1.0 1.8 2.9 90 63 A 59 TYR H A 60 CYS H 1.0 1.8 2.9 91 64 A 60 CYS H A 59 TYR HBy 1.0 1.8 2.9 92 64 A 59 TYR HBx A 60 CYS H 1.0 1.8 2.9 93 65 A 59 TYR H A 60 CYS H 1.0 1.8 2.9 94 66 A 60 CYS H A 60 CYS HA 1.0 1.8 2.9 95 67 A 60 CYS H A 60 CYS HBy 1.0 1.8 2.9 96 67 A 60 CYS H A 60 CYS HBx 1.0 1.8 2.9 97 68 A 60 CYS H A 61 ARG H 1.0 1.8 2.9 98 69 A 61 ARG H A 60 CYS HBy 1.0 1.8 2.9 99 69 A 60 CYS HBx A 61 ARG H 1.0 1.8 2.9 100 70 A 61 ARG H A 61 ARG HA 1.0 1.8 2.9 101 71 A 61 ARG H A 61 ARG HGx 1.0 1.8 2.9 102 71 A 61 ARG H A 61 ARG HGy 1.0 1.8 2.9 103 72 A 62 TYR H A 62 TYR HA 1.0 1.8 2.9 104 73 A 62 TYR H A 62 TYR HBy 1.0 1.8 2.9 105 73 A 62 TYR H A 62 TYR HBx 1.0 1.8 2.9 106 74 A 62 TYR H A 63 GLN H 1.0 1.8 2.9 107 75 A 63 GLN H A 62 TYR HBy 1.0 1.8 2.9 108 75 A 62 TYR HBx A 63 GLN H 1.0 1.8 2.9 109 76 A 62 TYR H A 63 GLN H 1.0 1.8 2.9 110 77 A 63 GLN H A 63 GLN HA 1.0 1.8 2.9 111 78 A 63 GLN H A 63 GLN HBy 1.0 1.8 2.9 112 78 A 63 GLN H A 63 GLN HBx 1.0 1.8 2.9 113 79 A 63 GLN HA A 64 LYS H 1.0 1.8 2.9 114 80 A 64 LYS H A 64 LYS HBx 1.0 1.8 2.9 115 80 A 64 LYS H A 64 LYS HBy 1.0 1.8 2.9 116 81 A 65 ASP H A 64 LYS HA 1.0 1.8 2.9 117 82 A 65 ASP H A 64 LYS HBx 1.0 1.8 2.9 118 82 A 64 LYS HBy A 65 ASP H 1.0 1.8 2.9 119 83 A 66 LEU H A 66 LEU HBy 1.0 1.8 2.9 120 83 A 66 LEU H A 66 LEU HBx 1.0 1.8 2.9 121 84 A 67 ALA H A 64 LYS HDx 1.0 1.8 2.9 122 84 A 67 ALA H A 67 ALA HB% 1.0 1.8 2.9 123 84 A 67 ALA H A 64 LYS HDy 1.0 1.8 2.9 124 85 A 68 ILE H A 68 ILE HG1y 1.0 1.8 2.9 125 85 A 68 ILE H A 68 ILE HG1x 1.0 1.8 2.9 126 86 A 69 HIS H A 68 ILE HG1y 1.0 1.8 2.9 127 86 A 68 ILE HG1x A 69 HIS H 1.0 1.8 2.9 128 87 A 87 TYR H A 86 GLY HAx 1.0 1.8 2.9 129 87 A 87 TYR H A 86 GLY HAy 1.0 1.8 2.9 130 88 A 87 TYR H A 87 TYR HA 1.0 1.8 2.9 131 89 A 87 TYR H A 87 TYR HBy 1.0 1.8 2.9 132 89 A 87 TYR H A 87 TYR HBx 1.0 1.8 2.9 133 90 A 5 VAL H A 5 VAL HB 1.0 1.8 3.5 134 91 A 5 VAL H A 5 VAL HGx% 1.0 1.8 3.5 135 91 A 5 VAL H A 5 VAL HGy% 1.0 1.8 3.5 136 92 A 7 TYR H A 6 PRO HGx 1.0 1.8 3.5 137 92 A 7 TYR H A 6 PRO HGy 1.0 1.8 3.5 138 93 A 9 ASP H A 8 PRO HGx 1.0 1.8 3.5 139 93 A 9 ASP H A 8 PRO HGy 1.0 1.8 3.5 140 94 A 11 LEU H A 10 PRO HDx 1.0 1.8 3.5 141 94 A 11 LEU H A 10 PRO HDy 1.0 1.8 3.5 142 95 A 11 LEU H A 10 PRO HGx 1.0 1.8 3.5 143 95 A 11 LEU H A 10 PRO HGy 1.0 1.8 3.5 144 96 A 11 LEU H A 11 LEU HDx% 1.0 1.8 3.5 145 96 A 11 LEU H A 11 LEU HDy% 1.0 1.8 3.5 146 97 A 12 GLU H A 11 LEU HBx 1.0 1.8 3.5 147 97 A 11 LEU HBy A 12 GLU H 1.0 1.8 3.5 148 98 A 11 LEU HG A 12 GLU H 1.0 1.8 4.3 149 99 A 12 GLU H A 12 GLU HGx 1.0 1.8 3.5 150 99 A 12 GLU H A 12 GLU HGy 1.0 1.8 3.5 151 100 A 12 GLU H A 13 PRO HDx 1.0 1.8 3.5 152 100 A 12 GLU H A 13 PRO HDy 1.0 1.8 3.5 153 101 A 17 LYS H A 17 LYS HA 1.0 1.8 3.5 154 102 A 17 LYS H A 17 LYS HDx 1.0 1.8 3.5 155 102 A 17 LYS H A 17 LYS HDy 1.0 1.8 3.5 156 103 A 17 LYS H A 17 LYS HEx 1.0 1.8 4.0 157 103 A 17 LYS H A 17 LYS HEy 1.0 1.8 4.0 158 104 A 18 HIS H A 17 LYS HDx 1.0 1.8 4.5 159 104 A 18 HIS H A 17 LYS HDy 1.0 1.8 4.5 160 105 A 18 HIS H A 17 LYS HGy 1.0 1.8 3.8 161 105 A 17 LYS HGx A 18 HIS H 1.0 1.8 3.8 162 106 A 17 LYS H A 18 HIS H 1.0 1.8 3.5 163 107 A 19 ILE H A 18 HIS HBy 1.0 1.8 3.5 164 107 A 18 HIS HBx A 19 ILE H 1.0 1.8 3.5 165 108 A 19 ILE HA A 19 ILE H 1.0 1.8 3.5 166 109 A 19 ILE H A 19 ILE HB 1.0 1.8 3.5 167 110 A 19 ILE H A 19 ILE HG1x 1.0 1.8 3.5 168 110 A 19 ILE H A 19 ILE HG1y 1.0 1.8 3.5 169 111 A 20 CYS H A 19 ILE H 1.0 1.8 4.5 170 112 A 20 CYS H A 20 CYS HA 1.0 1.8 3.5 171 113 A 21 ALA H A 20 CYS HBy 1.0 1.8 3.5 172 113 A 20 CYS HBx A 21 ALA H 1.0 1.8 3.5 173 114 A 21 ALA H A 21 ALA HA 1.0 1.8 3.5 174 115 A 21 ALA H A 22 ILE H 1.0 1.8 3.5 175 116 A 22 ILE H A 21 ALA HA 1.0 1.8 3.5 176 117 A 21 ALA H A 22 ILE H 1.0 1.8 3.5 177 118 A 22 ILE H A 22 ILE HA 1.0 1.8 3.5 178 119 A 22 ILE H A 22 ILE HG1y 1.0 1.8 3.5 179 119 A 22 ILE H A 22 ILE HG1x 1.0 1.8 3.5 180 120 A 22 ILE H A 24 GLY H 1.0 1.8 3.5 181 121 A 23 CYS H A 22 ILE HA 1.0 1.8 3.5 182 122 A 23 CYS H A 22 ILE HG1y 1.0 1.8 4.0 183 122 A 23 CYS H A 22 ILE HG1x 1.0 1.8 4.0 184 123 A 22 ILE HB A 24 GLY H 1.0 1.8 4.0 185 124 A 24 GLY H A 23 CYS HBx 1.0 1.8 3.5 186 124 A 23 CYS HBy A 24 GLY H 1.0 1.8 3.5 187 125 A 24 GLY H A 25 ASN H 1.0 1.8 3.5 188 126 A 25 ASN H A 26 ASN H 1.0 1.8 3.5 189 127 A 23 CYS H A 25 ASN H 1.0 1.8 4.1 190 128 A 23 CYS H A 26 ASN H 1.0 1.8 4.1 191 129 A 26 ASN H A 26 ASN HA 1.0 1.8 3.5 192 130 A 27 ALA H A 26 ASN HBx 1.0 1.8 3.5 193 130 A 26 ASN HBy A 27 ALA H 1.0 1.8 3.5 194 131 A 27 ALA H A 28 GLU H 1.0 1.8 3.5 195 132 A 27 ALA HB% A 28 GLU H 1.0 1.8 3.5 196 132 A 19 ILE HG2% A 28 GLU H 1.0 1.8 3.5 197 133 A 27 ALA H A 28 GLU H 1.0 1.8 3.5 198 134 A 28 GLU H A 28 GLU HA 1.0 1.8 3.5 199 135 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.5 200 135 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.5 201 136 A 28 GLU H A 28 GLU HGx 1.0 1.8 3.5 202 136 A 28 GLU H A 28 GLU HGy 1.0 1.8 3.5 203 137 A 29 ASP H A 28 GLU HA 1.0 1.8 3.5 204 138 A 29 ASP H A 28 GLU HGx 1.0 1.8 3.5 205 138 A 29 ASP H A 28 GLU HGy 1.0 1.8 3.5 206 139 A 33 THR H A 31 LYS HA 1.0 1.8 3.5 207 140 A 33 THR H A 32 HIS HA 1.0 1.8 3.5 208 141 A 33 THR H A 32 HIS HBx 1.0 1.8 3.5 209 141 A 33 THR H A 32 HIS HBy 1.0 1.8 3.5 210 142 A 33 THR H A 33 THR HG2% 1.0 1.8 3.5 211 142 A 33 THR H A 33 THR HG1 1.0 1.8 3.5 212 143 A 34 ASP H A 31 LYS HA 1.0 1.8 3.5 213 144 A 34 ASP H A 32 HIS HA 1.0 1.8 3.5 214 145 A 34 ASP H A 32 HIS HBx 1.0 1.8 5.0 215 145 A 34 ASP H A 32 HIS HBy 1.0 1.8 5.0 216 146 A 34 ASP H A 33 THR HG2% 1.0 1.8 3.5 217 146 A 34 ASP H A 33 THR HG1 1.0 1.8 3.5 218 147 A 34 ASP H A 35 MET H 1.0 1.8 3.5 219 148 A 35 MET H A 34 ASP HA 1.0 1.8 3.5 220 149 A 35 MET H A 34 ASP HBy 1.0 1.8 3.5 221 149 A 34 ASP HBx A 35 MET H 1.0 1.8 3.5 222 150 A 35 MET H A 35 MET HGx 1.0 1.8 3.5 223 150 A 35 MET H A 35 MET HGy 1.0 1.8 3.5 224 151 A 37 LEU H A 37 LEU HA 1.0 1.8 3.5 225 152 A 37 LEU H A 37 LEU HBx 1.0 1.8 3.5 226 152 A 37 LEU H A 37 LEU HBy 1.0 1.8 3.5 227 153 A 37 LEU H A 37 LEU HG 1.0 1.8 3.5 228 154 A 37 LEU HA A 38 THR H 1.0 1.8 3.5 229 155 A 44 TYR H A 43 ASP HBx 1.0 1.8 3.5 230 155 A 44 TYR H A 43 ASP HBy 1.0 1.8 3.5 231 156 A 44 TYR H A 44 TYR HA 1.0 1.8 3.5 232 157 A 50 TYR H A 50 TYR HBx 1.0 1.8 3.5 233 157 A 50 TYR H A 50 TYR HBy 1.0 1.8 3.5 234 158 A 51 HIS H A 50 TYR HBx 1.0 1.8 3.5 235 158 A 50 TYR HBy A 51 HIS H 1.0 1.8 3.5 236 159 A 52 LYS H A 52 LYS HA 1.0 1.8 3.5 237 160 A 52 LYS H A 53 CYS H 1.0 1.8 3.5 238 161 A 53 CYS H A 53 CYS HBy 1.0 1.8 3.5 239 161 A 53 CYS H A 53 CYS HBx 1.0 1.8 3.5 240 162 A 54 SER H A 53 CYS HBy 1.0 1.8 3.5 241 162 A 54 SER H A 53 CYS HBx 1.0 1.8 3.5 242 163 A 54 SER H A 54 SER HA 1.0 1.8 3.5 243 164 A 54 SER H A 55 ASP H 1.0 1.8 3.5 244 165 A 55 ASP H A 54 SER HBy 1.0 1.8 3.5 245 165 A 54 SER HBx A 55 ASP H 1.0 1.8 3.5 246 166 A 55 ASP H A 55 ASP HA 1.0 1.8 3.5 247 167 A 55 ASP H A 56 LEU H 1.0 1.8 3.5 248 168 A 56 LEU H A 55 ASP HBy 1.0 1.8 3.5 249 168 A 55 ASP HBx A 56 LEU H 1.0 1.8 3.5 250 169 A 56 LEU H A 56 LEU HA 1.0 1.8 3.5 251 170 A 56 LEU H A 56 LEU HG 1.0 1.8 3.5 252 171 A 56 LEU H A 57 CYS H 1.0 1.8 3.5 253 172 A 57 CYS H A 56 LEU HBx 1.0 1.8 3.5 254 172 A 56 LEU HBy A 57 CYS H 1.0 1.8 3.5 255 173 A 57 CYS H A 56 LEU HDx% 1.0 1.8 4.0 256 173 A 56 LEU HDy% A 57 CYS H 1.0 1.8 4.0 257 174 A 57 CYS H A 56 LEU HG 1.0 1.8 4.0 258 175 A 57 CYS H A 60 CYS H 1.0 1.8 4.8 259 176 A 59 TYR H A 58 GLN HA 1.0 1.8 3.5 260 177 A 59 TYR H A 60 CYS HBy 1.0 1.8 4.0 261 177 A 59 TYR H A 60 CYS HBx 1.0 1.8 4.0 262 178 A 59 TYR H A 61 ARG H 1.0 1.8 4.0 263 179 A 59 TYR HA A 60 CYS H 1.0 1.8 3.5 264 180 A 60 CYS HA A 61 ARG H 1.0 1.8 3.5 265 181 A 61 ARG H A 61 ARG HBx 1.0 1.8 3.5 266 181 A 61 ARG H A 61 ARG HBy 1.0 1.8 3.5 267 182 A 61 ARG H A 61 ARG HDx 1.0 1.8 3.5 268 182 A 61 ARG H A 61 ARG HDy 1.0 1.8 3.5 269 183 A 61 ARG HA A 62 TYR H 1.0 1.8 3.5 270 184 A 62 TYR H A 61 ARG HGx 1.0 1.8 4.0 271 184 A 61 ARG HGy A 62 TYR H 1.0 1.8 4.0 272 185 A 62 TYR HA A 63 GLN H 1.0 1.8 3.5 273 186 A 63 GLN H A 63 GLN HGx 1.0 1.8 3.5 274 186 A 63 GLN H A 63 GLN HGy 1.0 1.8 3.5 275 187 A 64 LYS H A 64 LYS HDx 1.0 1.8 3.5 276 187 A 64 LYS H A 67 ALA HB% 1.0 1.8 3.5 277 187 A 64 LYS H A 64 LYS HDy 1.0 1.8 3.5 278 188 A 65 ASP H A 64 LYS HDx 1.0 1.8 3.5 279 188 A 65 ASP H A 67 ALA HB% 1.0 1.8 3.5 280 188 A 65 ASP H A 64 LYS HDy 1.0 1.8 3.5 281 189 A 65 ASP H A 65 ASP HBy 1.0 1.8 3.5 282 189 A 65 ASP H A 65 ASP HBx 1.0 1.8 3.5 283 190 A 66 LEU H A 65 ASP HBy 1.0 1.8 3.8 284 190 A 66 LEU H A 65 ASP HBx 1.0 1.8 3.8 285 191 A 66 LEU H A 66 LEU HA 1.0 1.8 3.5 286 192 A 66 LEU H A 66 LEU HDx% 1.0 1.8 3.5 287 192 A 66 LEU H A 68 ILE HG1y 1.0 1.8 3.5 288 192 A 66 LEU H A 68 ILE HG1x 1.0 1.8 3.5 289 192 A 66 LEU H A 66 LEU HDy% 1.0 1.8 3.5 290 193 A 66 LEU H A 66 LEU HG 1.0 1.8 3.5 291 194 A 66 LEU H A 67 ALA H 1.0 1.8 3.5 292 195 A 67 ALA H A 66 LEU HBy 1.0 1.8 3.5 293 195 A 66 LEU HBx A 67 ALA H 1.0 1.8 3.5 294 196 A 67 ALA H A 68 ILE HG1y 1.0 1.8 3.5 295 196 A 67 ALA H A 66 LEU HDx% 1.0 1.8 3.5 296 196 A 67 ALA H A 68 ILE HG1x 1.0 1.8 3.5 297 196 A 67 ALA H A 66 LEU HDy% 1.0 1.8 3.5 298 197 A 66 LEU H A 67 ALA H 1.0 1.8 3.5 299 198 A 67 ALA H A 67 ALA HA 1.0 1.8 3.5 300 199 A 67 ALA H A 68 ILE HG1y 1.0 1.8 3.5 301 199 A 67 ALA H A 68 ILE HG1x 1.0 1.8 3.5 302 200 A 67 ALA H A 68 ILE H 1.0 1.8 3.5 303 201 A 68 ILE H A 64 LYS HDx 1.0 1.8 3.5 304 201 A 67 ALA HB% A 68 ILE H 1.0 1.8 3.5 305 201 A 64 LYS HDy A 68 ILE H 1.0 1.8 3.5 306 202 A 68 ILE H A 68 ILE HG1y 1.0 1.8 3.5 307 202 A 68 ILE H A 66 LEU HDx% 1.0 1.8 3.5 308 202 A 68 ILE H A 68 ILE HG1x 1.0 1.8 3.5 309 202 A 68 ILE H A 66 LEU HDy% 1.0 1.8 3.5 310 203 A 67 ALA H A 68 ILE H 1.0 1.8 3.5 311 204 A 68 ILE H A 68 ILE HA 1.0 1.8 3.5 312 205 A 68 ILE H A 68 ILE HD1% 1.0 1.8 3.5 313 206 A 68 ILE H A 69 HIS H 1.0 1.8 3.5 314 207 A 18 HIS H A 69 HIS H 1.0 1.8 4.0 315 208 A 69 HIS H A 54 SER HBy 1.0 1.8 3.5 316 208 A 54 SER HBx A 69 HIS H 1.0 1.8 3.5 317 208 A 69 HIS H A 68 ILE HA 1.0 1.8 3.5 318 209 A 69 HIS H A 68 ILE HD1% 1.0 1.8 3.5 319 210 A 68 ILE H A 69 HIS H 1.0 1.8 3.5 320 211 A 69 HIS H A 69 HIS HA 1.0 1.8 3.5 321 212 A 69 HIS H A 69 HIS HBx 1.0 1.8 3.5 322 212 A 69 HIS H A 69 HIS HBy 1.0 1.8 3.5 323 213 A 7 TYR H A 6 PRO HBx 1.0 1.8 5.0 324 213 A 7 TYR H A 6 PRO HBy 1.0 1.8 5.0 325 214 A 9 ASP H A 8 PRO HBx 1.0 1.8 5.0 326 214 A 9 ASP H A 8 PRO HBy 1.0 1.8 5.0 327 215 A 11 LEU H A 10 PRO HBx 1.0 1.8 5.0 328 215 A 11 LEU H A 10 PRO HBy 1.0 1.8 5.0 329 216 A 12 GLU H A 11 LEU HDx% 1.0 1.8 5.0 330 216 A 12 GLU H A 11 LEU HDy% 1.0 1.8 5.0 331 217 A 14 ARG H A 13 PRO HA 1.0 1.8 5.0 332 218 A 17 LYS H A 18 HIS H 1.0 1.8 5.0 333 219 A 17 LYS H A 69 HIS H 1.0 1.8 5.3 334 220 A 18 HIS H A 19 ILE H 1.0 1.8 5.0 335 221 A 18 HIS H A 68 ILE HD1% 1.0 1.8 5.0 336 222 A 18 HIS H A 19 ILE H 1.0 1.8 5.0 337 223 A 19 ILE H A 20 CYS HBy 1.0 1.8 5.3 338 223 A 20 CYS HBx A 19 ILE H 1.0 1.8 5.3 339 224 A 20 CYS H A 19 ILE HB 1.0 1.8 5.0 340 225 A 20 CYS H A 19 ILE HG1x 1.0 1.8 5.0 341 225 A 20 CYS H A 19 ILE HG1y 1.0 1.8 5.0 342 226 A 20 CYS H A 21 ALA H 1.0 1.8 5.0 343 227 A 20 CYS H A 57 CYS HA 1.0 1.8 6.6 344 228 A 20 CYS H A 21 ALA H 1.0 1.8 5.0 345 229 A 21 ALA H A 22 ILE HA 1.0 1.8 5.0 346 230 A 20 CYS HA A 22 ILE H 1.0 1.8 5.0 347 231 A 20 CYS H A 22 ILE H 1.0 1.8 5.0 348 232 A 22 ILE H A 25 ASN H 1.0 1.8 5.3 349 233 A 21 ALA H A 23 CYS H 1.0 1.8 5.0 350 234 A 23 CYS H A 25 ASN H 1.0 1.8 5.0 351 235 A 22 ILE HG2% A 24 GLY H 1.0 1.8 5.0 352 236 A 22 ILE H A 24 GLY H 1.0 1.8 5.0 353 237 A 20 CYS H A 25 ASN H 1.0 1.8 5.0 354 238 A 20 CYS H A 26 ASN H 1.0 1.8 5.0 355 239 A 25 ASN H A 26 ASN H 1.0 1.8 5.0 356 240 A 26 ASN H A 27 ALA H 1.0 1.8 5.0 357 241 A 20 CYS H A 27 ALA H 1.0 1.8 5.0 358 242 A 27 ALA H A 29 ASP H 1.0 1.8 5.0 359 243 A 27 ALA H A 68 ILE HD1% 1.0 1.8 5.3 360 244 A 28 GLU H A 68 ILE HD1% 1.0 1.8 5.0 361 245 A 30 TYR H A 32 HIS H 1.0 1.8 5.0 362 246 A 31 LYS HA A 32 HIS H 1.0 1.8 5.0 363 247 A 32 HIS H A 31 LYS HBx 1.0 1.8 5.0 364 247 A 32 HIS H A 31 LYS HBy 1.0 1.8 5.0 365 248 A 32 HIS H A 31 LYS HGx 1.0 1.8 5.0 366 248 A 32 HIS H A 31 LYS HGy 1.0 1.8 5.0 367 249 A 32 HIS H A 31 LYS H 1.0 1.8 5.0 368 250 A 32 HIS HA A 32 HIS H 1.0 1.8 5.0 369 251 A 32 HIS H A 32 HIS HBx 1.0 1.8 5.0 370 251 A 32 HIS HBy A 32 HIS H 1.0 1.8 5.0 371 252 A 33 THR H A 23 CYS HBx 1.0 1.8 5.0 372 252 A 23 CYS HBy A 33 THR H 1.0 1.8 5.0 373 253 A 33 THR H A 33 THR HB 1.0 1.8 3.5 374 253 A 33 THR H A 33 THR HA 1.0 1.8 3.5 375 254 A 33 THR H A 34 ASP HA 1.0 1.8 5.0 376 255 A 33 THR H A 35 MET H 1.0 1.8 5.0 377 256 A 22 ILE HG2% A 34 ASP H 1.0 1.8 5.0 378 257 A 34 ASP H A 23 CYS HBx 1.0 1.8 5.0 379 257 A 23 CYS HBy A 34 ASP H 1.0 1.8 5.0 380 258 A 34 ASP H A 31 LYS H 1.0 1.8 5.5 381 259 A 34 ASP H A 33 THR HA 1.0 1.8 5.0 382 260 A 34 ASP H A 33 THR HB 1.0 1.8 5.0 383 261 A 22 ILE HG2% A 35 MET H 1.0 1.8 5.0 384 262 A 35 MET H A 32 HIS HBx 1.0 1.8 5.0 385 262 A 35 MET H A 32 HIS HBy 1.0 1.8 5.0 386 263 A 35 MET H A 33 THR HG2% 1.0 1.8 5.0 387 263 A 35 MET H A 33 THR HG1 1.0 1.8 5.0 388 264 A 35 MET H A 35 MET HE% 1.0 1.8 5.0 389 265 A 35 MET HA A 36 ASP H 1.0 1.8 5.0 390 266 A 36 ASP H A 36 ASP HBx 1.0 1.8 5.0 391 266 A 36 ASP H A 36 ASP HBy 1.0 1.8 5.0 392 267 A 37 LEU H A 36 ASP HBx 1.0 1.8 5.0 393 267 A 37 LEU H A 36 ASP HBy 1.0 1.8 5.0 394 268 A 37 LEU H A 37 LEU HDx% 1.0 1.8 5.0 395 268 A 37 LEU H A 37 LEU HDy% 1.0 1.8 5.0 396 269 A 38 THR H A 37 LEU HBx 1.0 1.8 5.0 397 269 A 37 LEU HBy A 38 THR H 1.0 1.8 5.0 398 270 A 38 THR H A 37 LEU HDx% 1.0 1.8 5.0 399 270 A 38 THR H A 37 LEU HDy% 1.0 1.8 5.0 400 271 A 37 LEU HG A 38 THR H 1.0 1.8 5.0 401 272 A 38 THR H A 38 THR HA 1.0 1.8 5.0 402 273 A 38 THR H A 38 THR HG2% 1.0 1.8 5.0 403 273 A 38 THR H A 38 THR HG1 1.0 1.8 5.0 404 274 A 41 ASP H A 40 THR HB 1.0 1.8 5.0 405 275 A 42 ARG H A 41 ASP HA 1.0 1.8 5.0 406 276 A 42 ARG H A 42 ARG HA 1.0 1.8 5.0 407 277 A 42 ARG H A 42 ARG HBx 1.0 1.8 5.0 408 277 A 42 ARG H A 42 ARG HBy 1.0 1.8 5.0 409 278 A 42 ARG H A 42 ARG HGx 1.0 1.8 5.0 410 278 A 42 ARG H A 42 ARG HGy 1.0 1.8 5.0 411 279 A 42 ARG HA A 43 ASP H 1.0 1.8 5.0 412 280 A 43 ASP HA A 43 ASP H 1.0 1.8 5.0 413 281 A 44 TYR HA A 45 LYS H 1.0 1.8 5.0 414 282 A 49 SER H A 50 TYR HBx 1.0 1.8 5.0 415 282 A 50 TYR HBy A 49 SER H 1.0 1.8 5.0 416 283 A 50 TYR H A 49 SER H 1.0 1.8 5.0 417 284 A 50 TYR H A 49 SER H 1.0 1.8 5.0 418 285 A 50 TYR H A 51 HIS H 1.0 1.8 5.0 419 286 A 50 TYR H A 52 LYS H 1.0 1.8 5.0 420 287 A 50 TYR H A 51 HIS H 1.0 1.8 5.0 421 288 A 51 HIS H A 51 HIS HA 1.0 1.8 5.0 422 289 A 51 HIS H A 52 LYS H 1.0 1.8 5.0 423 290 A 51 HIS H A 52 LYS H 1.0 1.8 5.0 424 291 A 52 LYS H A 53 CYS H 1.0 1.8 5.0 425 292 A 54 SER H A 53 CYS H 1.0 1.8 5.0 426 293 A 54 SER H A 57 CYS H 1.0 1.8 5.0 427 294 A 54 SER H A 66 LEU HDx% 1.0 1.8 5.0 428 294 A 54 SER H A 68 ILE HG1y 1.0 1.8 5.0 429 294 A 54 SER H A 68 ILE HG1x 1.0 1.8 5.0 430 294 A 54 SER H A 66 LEU HDy% 1.0 1.8 5.0 431 295 A 55 ASP H A 54 SER HA 1.0 1.8 5.0 432 296 A 55 ASP H A 56 LEU HBx 1.0 1.8 5.0 433 296 A 55 ASP H A 56 LEU HBy 1.0 1.8 5.0 434 297 A 55 ASP H A 56 LEU HG 1.0 1.8 5.0 435 298 A 55 ASP H A 57 CYS H 1.0 1.8 5.0 436 299 A 56 LEU H A 55 ASP HA 1.0 1.8 5.0 437 300 A 56 LEU H A 57 CYS HBx 1.0 1.8 5.0 438 300 A 56 LEU H A 57 CYS HBy 1.0 1.8 5.0 439 301 A 57 CYS H A 55 ASP HBy 1.0 1.8 5.0 440 301 A 55 ASP HBx A 57 CYS H 1.0 1.8 5.0 441 302 A 57 CYS HA A 58 GLN H 1.0 1.8 5.0 442 303 A 58 GLN HA A 58 GLN H 1.0 1.8 5.0 443 304 A 58 GLN H A 58 GLN HGx 1.0 1.8 5.0 444 304 A 58 GLN H A 58 GLN HGy 1.0 1.8 5.0 445 305 A 58 GLN H A 59 TYR HBy 1.0 1.8 5.0 446 305 A 59 TYR HBx A 58 GLN H 1.0 1.8 5.0 447 306 A 59 TYR H A 58 GLN HGx 1.0 1.8 5.0 448 306 A 59 TYR H A 58 GLN HGy 1.0 1.8 5.0 449 307 A 60 CYS H A 63 GLN H 1.0 1.8 5.0 450 308 A 63 GLN H A 64 LYS H 1.0 1.8 5.0 451 309 A 62 TYR H A 64 LYS H 1.0 1.8 5.6 452 310 A 63 GLN H A 64 LYS H 1.0 1.8 5.0 453 311 A 64 LYS H A 64 LYS HA 1.0 1.8 5.0 454 312 A 64 LYS H A 65 ASP H 1.0 1.8 5.0 455 313 A 64 LYS H A 65 ASP H 1.0 1.8 5.0 456 314 A 65 ASP H A 66 LEU HDx% 1.0 1.8 5.0 457 314 A 65 ASP H A 68 ILE HG1y 1.0 1.8 5.0 458 314 A 65 ASP H A 68 ILE HG1x 1.0 1.8 5.0 459 314 A 65 ASP H A 66 LEU HDy% 1.0 1.8 5.0 460 315 A 66 LEU H A 68 ILE H 1.0 1.8 5.0 461 316 A 67 ALA H A 68 ILE HA 1.0 1.8 5.0 462 317 A 68 ILE H A 67 ALA HA 1.0 1.8 5.0 463 318 A 68 ILE H A 68 ILE HG2% 1.0 1.8 5.0 464 319 A 69 HIS H A 64 LYS HDx 1.0 1.8 5.0 465 319 A 67 ALA HB% A 69 HIS H 1.0 1.8 5.0 466 319 A 64 LYS HDy A 69 HIS H 1.0 1.8 5.0 467 320 A 69 HIS H A 68 ILE HG2% 1.0 1.8 5.0 468 321 A 69 HIS H A 66 LEU HDx% 1.0 1.8 5.0 469 321 A 68 ILE HG1x A 69 HIS H 1.0 1.8 5.0 470 321 A 69 HIS H A 66 LEU HDy% 1.0 1.8 5.0 471 321 A 69 HIS H A 68 ILE HG1y 1.0 1.8 5.0 472 322 A 17 LYS H A 27 ALA HB% 1.0 1.8 5.0 473 322 A 17 LYS H A 19 ILE HG2% 1.0 1.8 5.0 474 323 A 18 HIS H A 27 ALA HB% 1.0 1.8 5.0 475 323 A 18 HIS H A 19 ILE HG2% 1.0 1.8 5.0 476 324 A 27 ALA HB% A 19 ILE H 1.0 1.8 3.5 477 324 A 19 ILE HG2% A 19 ILE H 1.0 1.8 3.5 478 325 A 27 ALA HB% A 21 ALA H 1.0 1.8 5.0 479 325 A 19 ILE HG2% A 21 ALA H 1.0 1.8 5.0 480 326 A 27 ALA HB% A 24 GLY H 1.0 1.8 4.0 481 326 A 19 ILE HG2% A 24 GLY H 1.0 1.8 4.0 482 327 A 27 ALA HB% A 25 ASN H 1.0 1.8 4.0 483 327 A 19 ILE HG2% A 25 ASN H 1.0 1.8 4.0 484 328 A 27 ALA HB% A 26 ASN H 1.0 1.8 3.8 485 328 A 19 ILE HG2% A 26 ASN H 1.0 1.8 3.8 486 329 A 27 ALA HB% A 27 ALA H 1.0 1.8 2.9 487 329 A 19 ILE HG2% A 27 ALA H 1.0 1.8 2.9 488 330 A 27 ALA HB% A 18 HIS HBy 1.0 1.8 5.0 489 330 A 18 HIS HBx A 27 ALA HB% 1.0 1.8 5.0 490 331 A 19 ILE HG2% A 20 CYS HBy 1.0 1.8 5.0 491 331 A 19 ILE HG2% A 20 CYS HBx 1.0 1.8 5.0 492 332 A 22 ILE HG2% A 34 ASP HBy 1.0 1.8 5.0 493 332 A 22 ILE HG2% A 34 ASP HBx 1.0 1.8 5.0 494 333 A 27 ALA HB% A 16 GLY HAy 1.0 1.8 5.3 495 333 A 16 GLY HAx A 27 ALA HB% 1.0 1.8 5.3 496 334 A 27 ALA HB% A 22 ILE HB 1.0 1.8 6.1 497 335 A 27 ALA HB% A 68 ILE HD1% 1.0 1.8 5.0 498 336 A 68 ILE HD1% A 28 GLU HGx 1.0 1.8 5.0 499 336 A 28 GLU HGy A 68 ILE HD1% 1.0 1.8 5.0 500 337 A 68 ILE HG2% A 28 GLU HGx 1.0 1.8 5.0 501 337 A 28 GLU HGy A 68 ILE HG2% 1.0 1.8 5.0 502 338 A 22 ILE HG2% A 34 ASP HBy 1.0 1.8 5.0 503 338 A 22 ILE HG2% A 34 ASP HBx 1.0 1.8 5.0 504 339 A 18 HIS HBx A 56 LEU HDx% 1.0 1.8 5.0 505 339 A 18 HIS HBy A 56 LEU HDx% 1.0 1.8 5.0 506 339 A 56 LEU HDy% A 18 HIS HBy 1.0 1.8 5.0 507 339 A 18 HIS HBx A 56 LEU HDy% 1.0 1.8 5.0 508 340 A 28 GLU HGy A 58 GLN HGx 1.0 1.8 5.3 509 340 A 28 GLU HGx A 58 GLN HGx 1.0 1.8 5.3 510 340 A 58 GLN HGy A 28 GLU HGx 1.0 1.8 5.3 511 340 A 28 GLU HGy A 58 GLN HGy 1.0 1.8 5.3 512 341 A 56 LEU H A 61 ARG HA 1.0 1.8 6.0 513 341 A 56 LEU H A 58 GLN HA 1.0 1.8 6.0 514 342 A 57 CYS H A 61 ARG HA 1.0 1.8 5.0 515 342 A 57 CYS H A 58 GLN HA 1.0 1.8 5.0 516 343 A 60 CYS H A 61 ARG HA 1.0 1.8 4.0 517 343 A 60 CYS H A 58 GLN HA 1.0 1.8 4.0 518 344 A 61 ARG HA A 63 GLN H 1.0 1.8 5.0 519 344 A 63 GLN H A 58 GLN HA 1.0 1.8 5.0 520 345 A 61 ARG HA A 50 TYR H 1.0 1.8 5.0 521 345 A 50 TYR H A 58 GLN HA 1.0 1.8 5.0 522 346 A 61 ARG HA A 53 CYS H 1.0 1.8 3.5 523 346 A 53 CYS H A 58 GLN HA 1.0 1.8 3.5 524 347 A 52 LYS H A 52 LYS HBx 1.0 1.8 2.9 525 347 A 52 LYS H A 52 LYS HBy 1.0 1.8 2.9 526 348 A 52 LYS H A 52 LYS HEx 1.0 1.8 4.3 527 348 A 52 LYS H A 52 LYS HEy 1.0 1.8 4.3 528 349 A 52 LYS H A 52 LYS HGx 1.0 1.8 5.0 529 349 A 52 LYS H A 52 LYS HGy 1.0 1.8 5.0 530 350 A 53 CYS H A 52 LYS HBx 1.0 1.8 3.5 531 350 A 53 CYS H A 52 LYS HBy 1.0 1.8 3.5 532 351 A 60 CYS H A 61 ARG HGx 1.0 1.8 4.3 533 351 A 60 CYS H A 61 ARG HGy 1.0 1.8 4.3 534 352 A 60 CYS H A 64 LYS HDx 1.0 1.8 5.3 535 352 A 60 CYS H A 64 LYS HDy 1.0 1.8 5.3 536 353 A 68 ILE H A 65 ASP HBy 1.0 1.8 5.0 537 353 A 68 ILE H A 65 ASP HBx 1.0 1.8 5.0 538 354 A 69 HIS H A 65 ASP HBy 1.0 1.8 5.0 539 354 A 69 HIS H A 65 ASP HBx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 18 HIS C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -160.0 -80.0 PHI 2 2 A 20 CYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -90.0 -40.0 PHI 3 3 A 24 GLY C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -160.0 -80.0 PHI 4 4 A 25 ASN C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -90.0 -40.0 PHI 5 5 A 32 HIS C A 33 THR N A 33 THR CA A 33 THR C 1.0 -160.0 -80.0 PHI 6 6 A 43 ASP C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -90.0 -40.0 PHI 7 7 A 56 LEU C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -90.0 -40.0 PHI 8 8 A 58 GLN C A 59 TYR N A 59 TYR CA A 59 TYR C 1.0 -90.0 -40.0 PHI 9 9 A 59 TYR C A 60 CYS N A 60 CYS CA A 60 CYS C 1.0 -90.0 -40.0 PHI 10 10 A 61 ARG C A 62 TYR N A 62 TYR CA A 62 TYR C 1.0 -160.0 -80.0 PHI 11 11 A 62 TYR C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -160.0 -80.0 PHI 12 12 A 63 GLN C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -90.0 -40.0 PHI 13 13 A 65 ASP C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -90.0 -40.0 PHI 14 14 A 66 LEU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -90.0 -40.0 PHI 15 15 A 67 ALA C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -90.0 -40.0 PHI 16 16 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 CYS N 1.0 20.0 220.0 PSI 17 17 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ALA N 1.0 20.0 220.0 PSI 18 18 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ILE N 1.0 -140.0 80.0 PSI 19 19 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 ASN N 1.0 20.0 220.0 PSI 20 20 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 HIS N 1.0 20.0 220.0 PSI 21 21 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 MET N 1.0 -140.0 80.0 PSI 22 22 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 LEU N 1.0 20.0 220.0 PSI 23 23 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 THR N 1.0 20.0 220.0 PSI 24 24 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 ARG N 1.0 20.0 220.0 PSI 25 25 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 TYR N 1.0 20.0 220.0 PSI 26 26 A 54 SER N A 54 SER CA A 54 SER C A 55 ASP N 1.0 -140.0 80.0 PSI 27 27 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 LEU N 1.0 -140.0 80.0 PSI 28 28 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 GLN N 1.0 20.0 220.0 PSI 29 29 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 TYR N 1.0 -140.0 80.0 PSI 30 30 A 59 TYR N A 59 TYR CA A 59 TYR C A 60 CYS N 1.0 -140.0 80.0 PSI 31 31 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 TYR N 1.0 -140.0 80.0 PSI 32 32 A 62 TYR N A 62 TYR CA A 62 TYR C A 63 GLN N 1.0 -140.0 80.0 PSI 33 33 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 LYS N 1.0 20.0 220.0 PSI 34 34 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 ILE N 1.0 -140.0 80.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 17 LYS N A 17 LYS H 1.0 . . . 2 2 A 18 HIS N A 18 HIS H 1.0 . . . 3 3 A 19 ILE N A 19 ILE H 1.0 . . . 4 4 A 20 CYS N A 20 CYS H 1.0 . . . 5 5 A 21 ALA N A 21 ALA H 1.0 . . . 6 6 A 23 CYS N A 23 CYS H 1.0 . . . 7 7 A 24 GLY N A 24 GLY H 1.0 . . . 8 8 A 25 ASN N A 25 ASN H 1.0 . . . 9 9 A 26 ASN N A 26 ASN H 1.0 . . . 10 10 A 27 ALA N A 27 ALA H 1.0 . . . 11 11 A 28 GLU N A 28 GLU H 1.0 . . . 12 12 A 50 TYR N A 50 TYR H 1.0 . . . 13 13 A 51 HIS N A 51 HIS H 1.0 . . . 14 14 A 53 CYS N A 53 CYS H 1.0 . . . 15 15 A 54 SER N A 54 SER H 1.0 . . . 16 16 A 55 ASP N A 55 ASP H 1.0 . . . 17 17 A 56 LEU N A 56 LEU H 1.0 . . . 18 18 A 57 CYS N A 57 CYS H 1.0 . . . 19 19 A 58 GLN N A 58 GLN H 1.0 . . . 20 20 A 59 TYR N A 59 TYR H 1.0 . . . 21 21 A 62 TYR N A 62 TYR H 1.0 . . . 22 22 A 64 LYS N A 64 LYS H 1.0 . . . 23 23 A 65 ASP N A 65 ASP H 1.0 . . . 24 24 A 66 LEU N A 66 LEU H 1.0 . . . 25 25 A 68 ILE N A 68 ILE H 1.0 . . . 26 26 A 69 HIS N A 69 HIS H 1.0 . . . stop_ save_