data_nef_c19085_2m5x 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 4hgu stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 5 CYS SG 1 24 CYS SG 1 13 CYS SG 1 39 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLU start . . 2 A 2 ALA middle . . 3 A 3 ALA middle . . 4 A 4 VAL middle . . 5 A 5 CYS middle -HG . 6 A 6 THR middle . . 7 A 7 THR middle . . 8 A 8 GLU middle . . 9 A 9 TRP middle . . 10 A 10 ASP middle . . 11 A 11 PRO middle . false 12 A 12 VAL middle . . 13 A 13 CYS middle -HG . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 ASP middle . . 17 A 17 GLY middle . false 18 A 18 LYS middle . . 19 A 19 THR middle . . 20 A 20 TYR middle . . 21 A 21 SER middle . . 22 A 22 ASN middle . . 23 A 23 LEU middle . . 24 A 24 CYS middle -HG . 25 A 25 TRP middle . . 26 A 26 LEU middle . . 27 A 27 ASN middle . . 28 A 28 GLU middle . . 29 A 29 ALA middle . . 30 A 30 GLY middle . false 31 A 31 VAL middle . . 32 A 32 GLY middle . false 33 A 33 LEU middle . . 34 A 34 ASP middle . . 35 A 35 HIS middle . . 36 A 36 GLU middle . . 37 A 37 GLY middle . false 38 A 38 GLU middle . . 39 A 39 CYS middle -HG . 40 A 40 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLU HA H 1 4.013 0.020 A 1 GLU HBy H 1 2.094 0.020 A 1 GLU HBx H 1 2.093 0.020 A 1 GLU HG2 H 1 2.429 0.020 A 1 GLU HG3 H 1 2.432 0.020 A 1 GLU CA C 13 55.332 0.200 A 1 GLU CB C 13 29.372 0.200 A 1 GLU CG C 13 33.572 0.200 A 2 ALA H H 1 8.685 0.020 A 2 ALA HA H 1 4.301 0.020 A 2 ALA HB% H 1 1.334 0.020 A 2 ALA CA C 13 52.406 0.200 A 2 ALA CB C 13 19.210 0.200 A 2 ALA N N 15 126.951 0.200 A 3 ALA H H 1 8.328 0.020 A 3 ALA HA H 1 4.269 0.020 A 3 ALA HB% H 1 1.306 0.020 A 3 ALA CA C 13 52.178 0.200 A 3 ALA CB C 13 19.345 0.200 A 3 ALA N N 15 124.358 0.200 A 4 VAL H H 1 8.107 0.020 A 4 VAL HA H 1 3.949 0.020 A 4 VAL HB H 1 1.931 0.020 A 4 VAL HGx% H 1 0.838 0.020 A 4 VAL HGy% H 1 0.838 0.020 A 4 VAL CA C 13 62.170 0.200 A 4 VAL CB C 13 32.626 0.200 A 4 VAL CG1 C 13 20.325 0.200 A 4 VAL CG2 C 13 21.131 0.200 A 4 VAL N N 15 119.842 0.200 A 5 CYS H H 1 7.666 0.020 A 5 CYS HA H 1 4.633 0.020 A 5 CYS HB2 H 1 0.660 0.020 A 5 CYS HB3 H 1 2.085 0.020 A 5 CYS CB C 13 35.325 0.200 A 5 CYS N N 15 121.502 0.200 A 6 THR H H 1 8.411 0.020 A 6 THR HA H 1 4.674 0.006 A 6 THR HB H 1 4.730 0.005 A 6 THR HG2% H 1 1.368 0.020 A 6 THR CG2 C 13 19.226 0.200 A 6 THR N N 15 109.529 0.200 A 7 THR H H 1 8.362 0.020 A 7 THR HA H 1 4.729 0.020 A 7 THR HB H 1 4.639 0.020 A 7 THR HG2% H 1 1.277 0.020 A 7 THR CG2 C 13 21.199 0.200 A 7 THR N N 15 112.520 0.200 A 8 GLU H H 1 7.885 0.020 A 8 GLU HA H 1 4.138 0.020 A 8 GLU HB2 H 1 2.026 0.020 A 8 GLU HB3 H 1 1.975 0.020 A 8 GLU HG2 H 1 2.408 0.020 A 8 GLU HG3 H 1 2.297 0.020 A 8 GLU CA C 13 57.299 0.200 A 8 GLU CB C 13 29.033 0.200 A 8 GLU CG C 13 34.170 0.200 A 8 GLU N N 15 123.121 0.200 A 9 TRP H H 1 8.799 0.020 A 9 TRP HA H 1 4.938 0.020 A 9 TRP HB2 H 1 3.370 0.020 A 9 TRP HB3 H 1 3.197 0.020 A 9 TRP HD1 H 1 7.214 0.020 A 9 TRP HE1 H 1 10.207 0.020 A 9 TRP HE3 H 1 7.719 0.020 A 9 TRP HH2 H 1 7.098 0.020 A 9 TRP HZ2 H 1 7.437 0.020 A 9 TRP HZ3 H 1 7.010 0.020 A 9 TRP CB C 13 29.305 0.200 A 9 TRP CD1 C 13 128.213 0.200 A 9 TRP CH2 C 13 124.635 0.200 A 9 TRP CZ2 C 13 114.466 0.200 A 9 TRP CZ3 C 13 121.816 0.200 A 9 TRP N N 15 126.973 0.200 A 9 TRP NE1 N 15 129.549 0.200 A 10 ASP H H 1 8.790 0.020 A 10 ASP HA H 1 4.656 0.020 A 10 ASP HB2 H 1 2.682 0.020 A 10 ASP HB3 H 1 2.621 0.020 A 10 ASP CA C 13 50.047 0.200 A 10 ASP CB C 13 38.489 0.200 A 10 ASP N N 15 126.641 0.200 A 11 PRO HA H 1 4.054 0.020 A 11 PRO HB2 H 1 0.643 0.020 A 11 PRO HB3 H 1 0.998 0.020 A 11 PRO HD2 H 1 3.189 0.020 A 11 PRO HD3 H 1 1.131 0.020 A 11 PRO HG2 H 1 1.399 0.020 A 11 PRO HG3 H 1 1.508 0.020 A 11 PRO CA C 13 62.749 0.200 A 11 PRO CB C 13 33.189 0.200 A 11 PRO CD C 13 48.989 0.200 A 11 PRO CG C 13 27.725 0.200 A 12 VAL H H 1 8.078 0.020 A 12 VAL HA H 1 4.447 0.020 A 12 VAL HB H 1 1.820 0.020 A 12 VAL HGx% H 1 0.831 0.020 A 12 VAL HGy% H 1 0.584 0.020 A 12 VAL CG1 C 13 22.666 0.200 A 12 VAL CG2 C 13 20.589 0.200 A 12 VAL N N 15 110.024 0.200 A 13 CYS H H 1 8.431 0.020 A 13 CYS HA H 1 5.222 0.020 A 13 CYS HB2 H 1 1.266 0.020 A 13 CYS HB3 H 1 2.434 0.020 A 13 CYS CA C 13 53.837 0.200 A 13 CYS CB C 13 38.384 0.200 A 13 CYS N N 15 120.371 0.200 A 14 GLY H H 1 9.577 0.020 A 14 GLY HA2 H 1 4.648 0.020 A 14 GLY HA3 H 1 4.151 0.020 A 14 GLY CA C 13 45.741 0.200 A 14 GLY N N 15 116.333 0.200 A 15 LYS H H 1 8.838 0.020 A 15 LYS HA H 1 4.004 0.020 A 15 LYS HB2 H 1 1.703 0.020 A 15 LYS HB3 H 1 1.979 0.020 A 15 LYS HD2 H 1 1.646 0.020 A 15 LYS HD3 H 1 1.589 0.020 A 15 LYS HEx H 1 2.973 0.020 A 15 LYS HEy H 1 2.974 0.020 A 15 LYS HGy H 1 1.213 0.020 A 15 LYS HGx H 1 1.210 0.020 A 15 LYS CA C 13 59.084 0.200 A 15 LYS CB C 13 32.259 0.200 A 15 LYS CE C 13 41.913 0.200 A 15 LYS CG C 13 26.452 0.200 A 15 LYS N N 15 122.042 0.200 A 16 ASP H H 1 8.354 0.020 A 16 ASP HA H 1 4.405 0.020 A 16 ASP HB2 H 1 2.966 0.020 A 16 ASP HB3 H 1 2.648 0.020 A 16 ASP CB C 13 39.824 0.200 A 16 ASP N N 15 116.512 0.200 A 17 GLY H H 1 8.215 0.020 A 17 GLY HA2 H 1 4.089 0.020 A 17 GLY HA3 H 1 3.640 0.020 A 17 GLY CA C 13 45.730 0.200 A 17 GLY N N 15 108.685 0.200 A 18 LYS H H 1 7.827 0.020 A 18 LYS HA H 1 4.396 0.020 A 18 LYS HB2 H 1 1.764 0.020 A 18 LYS HB3 H 1 1.390 0.020 A 18 LYS HD2 H 1 1.523 0.020 A 18 LYS HD3 H 1 1.454 0.020 A 18 LYS HEx H 1 2.789 0.020 A 18 LYS HEy H 1 2.789 0.020 A 18 LYS HG2 H 1 1.091 0.020 A 18 LYS HG3 H 1 0.928 0.020 A 18 LYS CA C 13 54.813 0.200 A 18 LYS CB C 13 33.625 0.200 A 18 LYS CD C 13 28.902 0.200 A 18 LYS CE C 13 42.326 0.200 A 18 LYS CG C 13 25.294 0.200 A 18 LYS N N 15 121.419 0.200 A 19 THR H H 1 8.344 0.020 A 19 THR HA H 1 4.843 0.020 A 19 THR HB H 1 3.992 0.020 A 19 THR HG2% H 1 1.131 0.020 A 19 THR CB C 13 69.515 0.200 A 19 THR CG2 C 13 23.928 0.200 A 19 THR N N 15 121.800 0.200 A 20 TYR H H 1 9.355 0.020 A 20 TYR HA H 1 4.508 0.020 A 20 TYR HB2 H 1 2.553 0.020 A 20 TYR HB3 H 1 2.865 0.020 A 20 TYR HDx H 1 6.969 0.020 A 20 TYR HDy H 1 6.969 0.020 A 20 TYR CB C 13 41.681 0.200 A 20 TYR CD1 C 13 133.349 0.200 A 20 TYR CD2 C 13 133.349 0.200 A 20 TYR N N 15 127.910 0.200 A 21 SER H H 1 9.035 0.020 A 21 SER HA H 1 3.804 0.020 A 21 SER HB2 H 1 4.010 0.020 A 21 SER HB3 H 1 3.895 0.020 A 21 SER CA C 13 61.968 0.200 A 21 SER CB C 13 63.517 0.200 A 21 SER N N 15 116.849 0.200 A 22 ASN H H 1 7.344 0.020 A 22 ASN HA H 1 4.813 0.020 A 22 ASN HB2 H 1 3.035 0.020 A 22 ASN HB3 H 1 3.441 0.020 A 22 ASN HD21 H 1 8.400 0.020 A 22 ASN HD22 H 1 6.549 0.020 A 22 ASN CB C 13 40.080 0.200 A 22 ASN N N 15 105.634 0.200 A 22 ASN ND2 N 15 116.393 0.200 A 23 LEU H H 1 8.832 0.020 A 23 LEU HA H 1 3.857 0.020 A 23 LEU HB2 H 1 1.648 0.020 A 23 LEU HB3 H 1 1.558 0.020 A 23 LEU HDx% H 1 0.855 0.020 A 23 LEU HDy% H 1 0.908 0.020 A 23 LEU HG H 1 1.697 0.020 A 23 LEU CA C 13 57.560 0.200 A 23 LEU CB C 13 42.864 0.200 A 23 LEU CD1 C 13 25.176 0.200 A 23 LEU CD2 C 13 24.580 0.200 A 23 LEU N N 15 118.802 0.200 A 24 CYS H H 1 8.180 0.020 A 24 CYS HA H 1 4.139 0.020 A 24 CYS HB2 H 1 2.747 0.020 A 24 CYS HB3 H 1 3.189 0.020 A 24 CYS CA C 13 60.622 0.200 A 24 CYS CB C 13 35.293 0.200 A 24 CYS N N 15 119.567 0.200 A 25 TRP H H 1 7.587 0.020 A 25 TRP HA H 1 4.340 0.020 A 25 TRP HB2 H 1 3.231 0.020 A 25 TRP HB3 H 1 3.748 0.020 A 25 TRP HD1 H 1 7.369 0.020 A 25 TRP HE1 H 1 9.739 0.020 A 25 TRP HE3 H 1 7.853 0.020 A 25 TRP HH2 H 1 7.210 0.020 A 25 TRP HZ2 H 1 7.196 0.020 A 25 TRP HZ3 H 1 7.169 0.020 A 25 TRP CB C 13 30.325 0.200 A 25 TRP CD1 C 13 128.832 0.200 A 25 TRP CH2 C 13 124.814 0.200 A 25 TRP CZ2 C 13 114.930 0.200 A 25 TRP CZ3 C 13 121.513 0.200 A 25 TRP N N 15 120.561 0.200 A 25 TRP NE1 N 15 127.729 0.200 A 26 LEU H H 1 7.312 0.020 A 26 LEU HA H 1 2.935 0.020 A 26 LEU HB2 H 1 0.969 0.020 A 26 LEU HB3 H 1 1.752 0.020 A 26 LEU HDx% H 1 0.587 0.020 A 26 LEU HDy% H 1 0.328 0.020 A 26 LEU HG H 1 1.298 0.020 A 26 LEU CA C 13 58.635 0.200 A 26 LEU CB C 13 41.365 0.200 A 26 LEU CD1 C 13 26.945 0.200 A 26 LEU CD2 C 13 26.296 0.200 A 26 LEU CG C 13 25.785 0.200 A 26 LEU N N 15 122.581 0.200 A 27 ASN H H 1 8.444 0.020 A 27 ASN HA H 1 4.411 0.020 A 27 ASN HB2 H 1 2.882 0.020 A 27 ASN HB3 H 1 2.751 0.020 A 27 ASN HD21 H 1 7.521 0.020 A 27 ASN HD22 H 1 6.614 0.020 A 27 ASN CB C 13 37.644 0.200 A 27 ASN N N 15 117.645 0.200 A 27 ASN ND2 N 15 110.687 0.200 A 28 GLU H H 1 8.365 0.020 A 28 GLU HA H 1 4.017 0.020 A 28 GLU HB2 H 1 2.260 0.020 A 28 GLU HB3 H 1 2.140 0.020 A 28 GLU HG2 H 1 2.510 0.020 A 28 GLU HG3 H 1 2.476 0.020 A 28 GLU CA C 13 58.804 0.200 A 28 GLU CB C 13 28.166 0.200 A 28 GLU CG C 13 33.929 0.200 A 28 GLU N N 15 121.101 0.200 A 29 ALA H H 1 7.530 0.020 A 29 ALA HA H 1 4.335 0.020 A 29 ALA HB% H 1 1.643 0.020 A 29 ALA CA C 13 52.561 0.200 A 29 ALA CB C 13 18.678 0.200 A 29 ALA N N 15 120.397 0.200 A 30 GLY H H 1 7.793 0.020 A 30 GLY HA2 H 1 3.912 0.020 A 30 GLY HA3 H 1 3.818 0.020 A 30 GLY CA C 13 46.111 0.200 A 30 GLY N N 15 106.021 0.200 A 31 VAL H H 1 6.611 0.020 A 31 VAL HA H 1 4.066 0.020 A 31 VAL HB H 1 1.707 0.020 A 31 VAL HGx% H 1 1.071 0.020 A 31 VAL HGy% H 1 0.882 0.020 A 31 VAL CA C 13 60.934 0.200 A 31 VAL CG1 C 13 21.084 0.200 A 31 VAL CG2 C 13 20.247 0.200 A 31 VAL N N 15 116.550 0.200 A 32 GLY H H 1 8.551 0.020 A 32 GLY HA2 H 1 3.893 0.020 A 32 GLY HA3 H 1 3.650 0.020 A 32 GLY CA C 13 44.572 0.200 A 32 GLY N N 15 110.423 0.200 A 33 LEU H H 1 8.613 0.020 A 33 LEU HA H 1 3.949 0.020 A 33 LEU HB2 H 1 1.783 0.020 A 33 LEU HB3 H 1 1.195 0.020 A 33 LEU HDx% H 1 0.773 0.020 A 33 LEU HDy% H 1 0.583 0.020 A 33 LEU HG H 1 1.018 0.020 A 33 LEU CA C 13 55.823 0.200 A 33 LEU CB C 13 43.070 0.200 A 33 LEU CD1 C 13 26.107 0.200 A 33 LEU CD2 C 13 24.589 0.200 A 33 LEU CG C 13 27.055 0.200 A 33 LEU N N 15 124.291 0.200 A 34 ASP H H 1 9.091 0.020 A 34 ASP HA H 1 4.789 0.020 A 34 ASP HB2 H 1 2.016 0.020 A 34 ASP HB3 H 1 2.424 0.020 A 34 ASP CB C 13 42.065 0.200 A 34 ASP N N 15 126.710 0.200 A 35 HIS H H 1 7.302 0.020 A 35 HIS HA H 1 4.822 0.020 A 35 HIS HB2 H 1 3.454 0.020 A 35 HIS HB3 H 1 3.251 0.020 A 35 HIS HD2 H 1 7.174 0.020 A 35 HIS HE1 H 1 8.556 0.020 A 35 HIS CB C 13 30.351 0.200 A 35 HIS CD2 C 13 122.395 0.200 A 35 HIS CE1 C 13 136.331 0.200 A 35 HIS N N 15 106.163 0.200 A 36 GLU H H 1 9.309 0.020 A 36 GLU HA H 1 4.209 0.020 A 36 GLU HB2 H 1 2.086 0.020 A 36 GLU HB3 H 1 2.274 0.020 A 36 GLU HG2 H 1 2.420 0.020 A 36 GLU HG3 H 1 2.539 0.020 A 36 GLU CA C 13 57.734 0.200 A 36 GLU CB C 13 29.241 0.200 A 36 GLU CG C 13 34.259 0.200 A 36 GLU N N 15 120.636 0.200 A 37 GLY H H 1 8.153 0.020 A 37 GLY HA2 H 1 3.465 0.020 A 37 GLY HA3 H 1 4.552 0.020 A 37 GLY CA C 13 44.550 0.200 A 37 GLY N N 15 115.205 0.200 A 38 GLU H H 1 8.099 0.020 A 38 GLU HA H 1 3.899 0.020 A 38 GLU HB2 H 1 2.093 0.020 A 38 GLU HB3 H 1 1.976 0.020 A 38 GLU HG2 H 1 2.378 0.020 A 38 GLU HG3 H 1 2.429 0.020 A 38 GLU CA C 13 56.221 0.200 A 38 GLU CB C 13 29.513 0.200 A 38 GLU CG C 13 34.648 0.200 A 38 GLU N N 15 112.146 0.200 A 39 CYS H H 1 8.370 0.020 A 39 CYS HA H 1 4.556 0.020 A 39 CYS HB2 H 1 2.569 0.020 A 39 CYS HB3 H 1 3.246 0.020 A 39 CYS CB C 13 37.325 0.200 A 39 CYS N N 15 119.239 0.200 A 40 LEU H H 1 8.439 0.020 A 40 LEU N N 15 127.841 0.200 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 35 HIS HA A 35 HIS HD2 1.0 0.0 4.67 2 2 A 25 TRP HA A 28 GLU HB3 1.0 0.0 4.69 3 3 A 28 GLU HB3 A 29 ALA HA 1.0 0.0 5.05 4 4 A 9 TRP HE1 A 11 PRO HD2 1.0 0.0 4.84 5 5 A 9 TRP HE1 A 11 PRO HG2 1.0 0.0 4.26 6 6 A 9 TRP HE1 A 11 PRO HD3 1.0 0.0 4.70 7 7 A 14 GLY H A 18 LYS H 1.0 0.0 4.80 8 8 A 14 GLY H A 20 TYR HDy 1.0 0.0 3.91 9 9 A 14 GLY H A 13 CYS HA 1.0 0.0 3.16 10 10 A 14 GLY H A 19 THR HA 1.0 0.0 4.62 11 11 A 14 GLY H A 13 CYS HB2 1.0 0.0 4.97 12 12 A 14 GLY H A 26 LEU HDy% 1.0 0.0 4.58 13 13 A 14 GLY H A 15 LYS H 1.0 0.0 5.42 14 14 A 14 GLY H A 20 TYR H 1.0 0.0 5.06 15 15 A 20 TYR H A 12 VAL H 1.0 0.0 4.11 16 16 A 20 TYR HDy A 20 TYR H 1.0 0.0 3.85 17 17 A 13 CYS HA A 20 TYR H 1.0 0.0 4.33 18 18 A 19 THR HA A 20 TYR H 1.0 0.0 3.04 19 19 A 35 HIS HA A 36 GLU H 1.0 0.0 3.29 20 20 A 20 TYR H A 19 THR HB 1.0 0.0 4.94 21 21 A 20 TYR H A 20 TYR HB3 1.0 0.0 4.15 22 22 A 20 TYR H A 20 TYR HB2 1.0 0.0 3.68 23 23 A 36 GLU H A 36 GLU HG3 1.0 0.0 4.02 24 24 A 36 GLU H A 36 GLU HG2 1.0 0.0 4.02 25 25 A 36 GLU H A 36 GLU HB3 1.0 0.0 3.89 26 26 A 36 GLU H A 36 GLU HB2 1.0 0.0 3.89 27 27 A 20 TYR H A 19 THR HG2% 1.0 0.0 3.66 28 28 A 20 TYR H A 12 VAL HGy% 1.0 0.0 4.53 29 29 A 26 LEU HDy% A 34 ASP H 1.0 0.0 5.46 30 30 A 34 ASP H A 33 LEU HG 1.0 0.0 4.16 31 31 A 34 ASP H A 15 LYS HGx 1.0 0.0 4.79 32 32 A 34 ASP H A 33 LEU HB3 1.0 0.0 5.11 33 33 A 34 ASP H A 33 LEU HB2 1.0 0.0 5.11 34 34 A 34 ASP H A 34 ASP HB2 1.0 0.0 3.70 35 35 A 34 ASP H A 34 ASP HB3 1.0 0.0 3.57 36 36 A 20 TYR HB2 A 21 SER H 1.0 0.0 4.29 37 37 A 20 TYR HB3 A 21 SER H 1.0 0.0 3.97 38 38 A 34 ASP H A 33 LEU HA 1.0 0.0 3.05 39 39 A 34 ASP H A 14 GLY HA3 1.0 0.0 5.17 40 40 A 34 ASP H A 15 LYS HA 1.0 0.0 5.04 41 41 A 21 SER H A 20 TYR HA 1.0 0.0 3.10 42 42 A 34 ASP H A 14 GLY HA2 1.0 0.0 4.02 43 43 A 21 SER H A 20 TYR HDx 1.0 0.0 4.52 44 44 A 34 ASP H A 35 HIS H 1.0 0.0 3.62 45 45 A 21 SER H A 22 ASN H 1.0 0.0 3.90 46 46 A 34 ASP H A 33 LEU H 1.0 0.0 5.48 47 47 A 15 LYS H A 34 ASP H 1.0 0.0 4.75 48 48 A 12 VAL HGy% A 23 LEU H 1.0 0.0 5.20 49 49 A 15 LYS H A 26 LEU HDx% 1.0 0.0 5.50 50 50 A 26 LEU HDy% A 15 LYS H 1.0 0.0 4.76 51 51 A 23 LEU H A 12 VAL HGx% 1.0 0.0 5.15 52 52 A 15 LYS H A 31 VAL HGy% 1.0 0.0 5.04 53 53 A 15 LYS H A 31 VAL HGx% 1.0 0.0 3.79 54 54 A 11 PRO HD3 A 10 ASP H 1.0 0.0 4.22 55 55 A 15 LYS H A 15 LYS HGx 1.0 0.0 3.52 56 56 A 15 LYS H A 15 LYS HB2 1.0 0.0 3.26 57 57 A 23 LEU H A 23 LEU HB3 1.0 0.0 3.52 58 58 A 23 LEU H A 23 LEU HB2 1.0 0.0 3.52 59 59 A 15 LYS H A 15 LYS HB3 1.0 0.0 3.65 60 60 A 8 GLU HB3 A 9 TRP H 1.0 0.0 4.37 61 61 A 9 TRP H A 8 GLU HB2 1.0 0.0 4.37 62 62 A 9 TRP H A 8 GLU HG3 1.0 0.0 4.79 63 63 A 9 TRP H A 8 GLU HG2 1.0 0.0 4.79 64 64 A 10 ASP H A 10 ASP HB3 1.0 0.0 4.13 65 65 A 10 ASP H A 10 ASP HB2 1.0 0.0 4.13 66 66 A 10 ASP H A 22 ASN HB2 1.0 0.0 4.69 67 67 A 23 LEU H A 22 ASN HB2 1.0 0.0 3.36 68 68 A 9 TRP H A 9 TRP HB3 1.0 0.0 3.37 69 69 A 9 TRP H A 9 TRP HB2 1.0 0.0 3.37 70 70 A 10 ASP H A 22 ASN HB3 1.0 0.0 3.93 71 71 A 23 LEU H A 22 ASN HB3 1.0 0.0 3.76 72 72 A 15 LYS H A 32 GLY HA3 1.0 0.0 5.04 73 73 A 10 ASP H A 21 SER HA 1.0 0.0 5.22 74 74 A 15 LYS H A 33 LEU HA 1.0 0.0 4.79 75 75 A 10 ASP H A 11 PRO HA 1.0 0.0 4.59 76 76 A 9 TRP H A 8 GLU HA 1.0 0.0 2.97 77 77 A 15 LYS H A 14 GLY HA2 1.0 0.0 3.37 78 78 A 10 ASP H A 22 ASN HA 1.0 0.0 4.39 79 79 A 10 ASP H A 9 TRP HA 1.0 0.0 3.06 80 80 A 23 LEU H A 22 ASN HA 1.0 0.0 3.40 81 81 A 9 TRP H A 9 TRP HD1 1.0 0.0 5.27 82 82 A 10 ASP H A 9 TRP HE3 1.0 0.0 4.63 83 83 A 9 TRP H A 8 GLU H 1.0 0.0 5.50 84 84 A 15 LYS H A 17 GLY H 1.0 0.0 4.68 85 85 A 23 LEU H A 24 CYS H 1.0 0.0 4.64 86 86 A 15 LYS H A 16 ASP H 1.0 0.0 4.28 87 87 A 33 LEU H A 26 LEU HDx% 1.0 0.0 4.27 88 88 A 31 VAL HGy% A 32 GLY H 1.0 0.0 4.52 89 89 A 31 VAL HGx% A 32 GLY H 1.0 0.0 3.95 90 90 A 33 LEU HG A 33 LEU H 1.0 0.0 4.74 91 91 A 33 LEU H A 33 LEU HB3 1.0 0.0 3.40 92 92 A 32 GLY H A 15 LYS HGy 1.0 0.0 5.50 93 93 A 15 LYS HGx A 32 GLY H 1.0 0.0 5.50 94 94 A 15 LYS HB2 A 32 GLY H 1.0 0.0 4.22 95 95 A 32 GLY H A 31 VAL HB 1.0 0.0 4.70 96 96 A 33 LEU H A 33 LEU HB2 1.0 0.0 3.40 97 97 A 15 LYS HB3 A 32 GLY H 1.0 0.0 5.19 98 98 A 34 ASP HB3 A 35 HIS HE1 1.0 0.0 4.64 99 99 A 33 LEU H A 32 GLY HA3 1.0 0.0 3.52 100 100 A 33 LEU H A 32 GLY HA2 1.0 0.0 3.25 101 101 A 32 GLY H A 31 VAL HA 1.0 0.0 3.22 102 102 A 32 GLY H A 31 VAL H 1.0 0.0 4.53 103 103 A 17 GLY H A 16 ASP H 1.0 0.0 3.44 104 104 A 27 ASN H A 28 GLU H 1.0 0.0 3.52 105 105 A 13 CYS H A 37 GLY H 1.0 0.0 4.56 106 106 A 38 GLU H A 39 CYS H 1.0 0.0 5.50 107 107 A 18 LYS H A 16 ASP H 1.0 0.0 4.28 108 108 A 28 GLU H A 30 GLY H 1.0 0.0 5.50 109 109 A 28 GLU H A 29 ALA H 1.0 0.0 4.05 110 110 A 27 ASN H A 26 LEU H 1.0 0.0 4.01 111 111 A 22 ASN H A 22 ASN HD21 1.0 0.0 5.16 112 112 A 13 CYS HA A 39 CYS H 1.0 0.0 5.00 113 113 A 19 THR HA A 39 CYS H 1.0 0.0 3.98 114 114 A 6 THR H A 6 THR HB 1.0 0.0 3.56 115 115 A 6 THR HB A 7 THR H 1.0 0.0 3.23 116 116 A 7 THR H A 7 THR HB 1.0 0.0 3.89 117 117 A 14 GLY HA2 A 13 CYS H 1.0 0.0 4.87 118 118 A 6 THR H A 5 CYS HA 1.0 0.0 3.51 119 119 A 39 CYS HA A 40 LEU H 1.0 0.0 3.17 120 120 A 13 CYS H A 12 VAL HA 1.0 0.0 3.19 121 121 A 18 LYS HA A 19 THR H 1.0 0.0 2.94 122 122 A 13 CYS H A 36 GLU HA 1.0 0.0 4.35 123 123 A 27 ASN H A 24 CYS HA 1.0 0.0 4.69 124 124 A 14 GLY HA3 A 16 ASP H 1.0 0.0 4.07 125 125 A 19 THR HB A 19 THR H 1.0 0.0 3.25 126 126 A 39 CYS H A 38 GLU HA 1.0 0.0 3.22 127 127 A 27 ASN H A 23 LEU HA 1.0 0.0 4.39 128 128 A 22 ASN HB3 A 22 ASN HD21 1.0 0.0 3.85 129 129 A 40 LEU H A 39 CYS HB2 1.0 0.0 4.17 130 130 A 39 CYS H A 39 CYS HB2 1.0 0.0 3.94 131 131 A 28 GLU H A 27 ASN HB2 1.0 0.0 4.11 132 132 A 16 ASP H A 16 ASP HB2 1.0 0.0 4.20 133 133 A 27 ASN H A 27 ASN HB2 1.0 0.0 3.73 134 134 A 27 ASN H A 27 ASN HB3 1.0 0.0 3.73 135 135 A 28 GLU H A 27 ASN HB3 1.0 0.0 4.11 136 136 A 13 CYS HB2 A 13 CYS H 1.0 0.0 3.58 137 137 A 40 LEU H A 39 CYS HB3 1.0 0.0 4.17 138 138 A 39 CYS H A 39 CYS HB3 1.0 0.0 3.94 139 139 A 16 ASP H A 16 ASP HB3 1.0 0.0 4.20 140 140 A 13 CYS HB2 A 39 CYS H 1.0 0.0 5.50 141 141 A 39 CYS H A 38 GLU HG3 1.0 0.0 5.50 142 142 A 28 GLU H A 28 GLU HB2 1.0 0.0 3.02 143 143 A 28 GLU HB3 A 28 GLU H 1.0 0.0 3.77 144 144 A 39 CYS H A 38 GLU HB2 1.0 0.0 3.67 145 145 A 15 LYS HB3 A 16 ASP H 1.0 0.0 4.42 146 146 A 39 CYS H A 38 GLU HB3 1.0 0.0 4.74 147 147 A 13 CYS H A 12 VAL HB 1.0 0.0 3.40 148 148 A 27 ASN H A 26 LEU HB3 1.0 0.0 3.48 149 149 A 27 ASN H A 23 LEU HG 1.0 0.0 5.02 150 150 A 19 THR H A 18 LYS HB2 1.0 0.0 4.29 151 151 A 15 LYS HB2 A 16 ASP H 1.0 0.0 4.21 152 152 A 28 GLU H A 29 ALA HB% 1.0 0.0 5.28 153 153 A 19 THR H A 18 LYS HB3 1.0 0.0 4.29 154 154 A 6 THR H A 6 THR HG2% 1.0 0.0 4.07 155 155 A 3 ALA H A 3 ALA HB% 1.0 0.0 3.93 156 156 A 7 THR H A 7 THR HG2% 1.0 0.0 3.87 157 157 A 13 CYS H A 13 CYS HB3 1.0 0.0 3.31 158 158 A 13 CYS H A 26 LEU HG 1.0 0.0 5.50 159 159 A 27 ASN H A 26 LEU HG 1.0 0.0 5.50 160 160 A 19 THR HG2% A 39 CYS H 1.0 0.0 4.09 161 161 A 19 THR HG2% A 19 THR H 1.0 0.0 4.23 162 162 A 31 VAL HGx% A 16 ASP H 1.0 0.0 3.62 163 163 A 27 ASN H A 26 LEU HB2 1.0 0.0 4.06 164 164 A 12 VAL HGx% A 13 CYS H 1.0 0.0 4.21 165 165 A 31 VAL HGy% A 16 ASP H 1.0 0.0 4.94 166 166 A 12 VAL HGy% A 13 CYS H 1.0 0.0 4.26 167 167 A 26 LEU HDy% A 13 CYS H 1.0 0.0 5.35 168 168 A 26 LEU HDy% A 27 ASN H 1.0 0.0 5.50 169 169 A 12 VAL H A 11 PRO HB3 1.0 0.0 4.41 170 170 A 38 GLU H A 11 PRO HB3 1.0 0.0 4.78 171 171 A 12 VAL H A 12 VAL HGy% 1.0 0.0 3.57 172 172 A 4 VAL H A 4 VAL HGx% 1.0 0.0 4.90 173 173 A 4 VAL H A 4 VAL HGy% 1.0 0.0 4.90 174 174 A 12 VAL HGx% A 37 GLY H 1.0 0.0 4.07 175 175 A 12 VAL H A 12 VAL HGx% 1.0 0.0 4.44 176 176 A 31 VAL HGx% A 17 GLY H 1.0 0.0 5.20 177 177 A 38 GLU H A 11 PRO HB2 1.0 0.0 3.86 178 178 A 12 VAL H A 19 THR HG2% 1.0 0.0 4.65 179 179 A 19 THR HG2% A 38 GLU H 1.0 0.0 5.24 180 180 A 38 GLU H A 11 PRO HG3 1.0 0.0 4.40 181 181 A 11 PRO HG2 A 38 GLU H 1.0 0.0 4.88 182 182 A 3 ALA HB% A 4 VAL H 1.0 0.0 5.18 183 183 A 24 CYS H A 23 LEU HB3 1.0 0.0 4.94 184 184 A 24 CYS H A 23 LEU HB2 1.0 0.0 4.94 185 185 A 37 GLY H A 12 VAL HB 1.0 0.0 4.58 186 186 A 4 VAL H A 4 VAL HB 1.0 0.0 4.14 187 187 A 38 GLU H A 38 GLU HB3 1.0 0.0 3.70 188 188 A 37 GLY H A 36 GLU HB2 1.0 0.0 4.41 189 189 A 37 GLY H A 36 GLU HB3 1.0 0.0 4.41 190 190 A 38 GLU H A 38 GLU HG3 1.0 0.0 3.74 191 191 A 38 GLU H A 38 GLU HG2 1.0 0.0 4.00 192 192 A 13 CYS HB2 A 37 GLY H 1.0 0.0 5.50 193 193 A 24 CYS H A 24 CYS HB3 1.0 0.0 3.72 194 194 A 22 ASN HB2 A 24 CYS H 1.0 0.0 4.87 195 195 A 24 CYS H A 24 CYS HB2 1.0 0.0 3.72 196 196 A 38 GLU H A 37 GLY HA2 1.0 0.0 3.44 197 197 A 15 LYS HA A 17 GLY H 1.0 0.0 4.51 198 198 A 12 VAL H A 11 PRO HA 1.0 0.0 3.05 199 199 A 14 GLY HA3 A 17 GLY H 1.0 0.0 4.25 200 200 A 37 GLY H A 36 GLU HA 1.0 0.0 3.27 201 201 A 4 VAL H A 3 ALA HA 1.0 0.0 3.54 202 202 A 37 GLY H A 12 VAL HA 1.0 0.0 3.34 203 203 A 38 GLU H A 37 GLY HA3 1.0 0.0 3.49 204 204 A 18 LYS H A 17 GLY H 1.0 0.0 3.45 205 205 A 4 VAL H A 5 CYS H 1.0 0.0 4.52 206 206 A 24 CYS H A 25 TRP H 1.0 0.0 4.12 207 207 A 8 GLU H A 7 THR HA 1.0 0.0 2.99 208 208 A 8 GLU H A 6 THR HA 1.0 0.0 5.10 209 209 A 8 GLU H A 7 THR HB 1.0 0.0 4.50 210 210 A 25 TRP HB3 A 25 TRP HE3 1.0 0.0 3.85 211 211 A 8 GLU HB2 A 8 GLU H 1.0 0.0 3.98 212 212 A 8 GLU HB3 A 8 GLU H 1.0 0.0 3.98 213 213 A 8 GLU H A 7 THR HG2% 1.0 0.0 5.22 214 214 A 18 LYS H A 18 LYS HG3 1.0 0.0 4.62 215 215 A 31 VAL HGy% A 30 GLY H 1.0 0.0 5.50 216 216 A 5 CYS H A 4 VAL HGx% 1.0 0.0 5.50 217 217 A 5 CYS H A 4 VAL HGy% 1.0 0.0 5.50 218 218 A 18 LYS H A 18 LYS HG2 1.0 0.0 4.62 219 219 A 18 LYS H A 18 LYS HB3 1.0 0.0 3.93 220 220 A 30 GLY H A 29 ALA HB% 1.0 0.0 4.07 221 221 A 18 LYS H A 18 LYS HB2 1.0 0.0 3.93 222 222 A 4 VAL HB A 5 CYS H 1.0 0.0 4.52 223 223 A 25 TRP H A 24 CYS HB3 1.0 0.0 3.87 224 224 A 25 TRP H A 25 TRP HB2 1.0 0.0 3.55 225 225 A 25 TRP H A 24 CYS HB2 1.0 0.0 3.87 226 226 A 21 SER HA A 9 TRP HE3 1.0 0.0 4.40 227 227 A 25 TRP H A 25 TRP HB3 1.0 0.0 3.95 228 228 A 5 CYS H A 4 VAL HA 1.0 0.0 3.45 229 229 A 30 GLY H A 28 GLU HA 1.0 0.0 4.78 230 230 A 18 LYS H A 14 GLY HA3 1.0 0.0 4.79 231 231 A 25 TRP HA A 25 TRP HE3 1.0 0.0 3.77 232 232 A 30 GLY H A 27 ASN HA 1.0 0.0 4.38 233 233 A 9 TRP HA A 9 TRP HE3 1.0 0.0 3.64 234 234 A 31 VAL H A 30 GLY H 1.0 0.0 3.59 235 235 A 30 GLY H A 29 ALA H 1.0 0.0 3.61 236 236 A 25 TRP H A 25 TRP HD1 1.0 0.0 3.64 237 237 A 26 LEU H A 25 TRP H 1.0 0.0 3.75 238 238 A 20 TYR HDx A 26 LEU H 1.0 0.0 5.35 239 239 A 20 TYR HDy A 26 LEU H 1.0 0.0 5.50 240 240 A 20 TYR HDx A 22 ASN H 1.0 0.0 5.26 241 241 A 22 ASN H A 22 ASN HD22 1.0 0.0 5.16 242 242 A 27 ASN HA A 27 ASN HD21 1.0 0.0 5.02 243 243 A 29 ALA H A 27 ASN HA 1.0 0.0 5.23 244 244 A 20 TYR HA A 22 ASN H 1.0 0.0 4.71 245 245 A 33 LEU HA A 35 HIS H 1.0 0.0 4.47 246 246 A 26 LEU H A 23 LEU HA 1.0 0.0 4.07 247 247 A 25 TRP HB3 A 25 TRP HD1 1.0 0.0 3.65 248 248 A 26 LEU H A 25 TRP HB3 1.0 0.0 5.02 249 249 A 22 ASN H A 25 TRP HB3 1.0 0.0 5.42 250 250 A 22 ASN H A 23 LEU HA 1.0 0.0 5.32 251 251 A 22 ASN H A 21 SER HB3 1.0 0.0 4.59 252 252 A 22 ASN H A 11 PRO HA 1.0 0.0 5.50 253 253 A 22 ASN H A 21 SER HB2 1.0 0.0 4.59 254 254 A 25 TRP HB2 A 25 TRP HD1 1.0 0.0 3.25 255 255 A 22 ASN H A 25 TRP HB2 1.0 0.0 4.63 256 256 A 26 LEU H A 25 TRP HB2 1.0 0.0 4.11 257 257 A 29 ALA H A 26 LEU HA 1.0 0.0 4.34 258 258 A 20 TYR HB3 A 22 ASN H 1.0 0.0 4.03 259 259 A 20 TYR HB3 A 26 LEU H 1.0 0.0 4.34 260 260 A 29 ALA H A 28 GLU HB2 1.0 0.0 4.42 261 261 A 28 GLU HB3 A 29 ALA H 1.0 0.0 4.04 262 262 A 38 GLU HG3 A 9 TRP HZ2 1.0 0.0 4.83 263 263 A 38 GLU HG2 A 9 TRP HZ2 1.0 0.0 4.50 264 264 A 20 TYR HB2 A 22 ASN H 1.0 0.0 4.97 265 265 A 20 TYR HB2 A 26 LEU H 1.0 0.0 4.53 266 266 A 34 ASP HB3 A 35 HIS H 1.0 0.0 3.38 267 267 A 34 ASP HB2 A 35 HIS H 1.0 0.0 4.00 268 268 A 26 LEU H A 26 LEU HB3 1.0 0.0 3.35 269 269 A 35 HIS H A 12 VAL HB 1.0 0.0 5.50 270 270 A 29 ALA H A 29 ALA HB% 1.0 0.0 3.12 271 271 A 11 PRO HG3 A 9 TRP HZ2 1.0 0.0 4.48 272 272 A 11 PRO HG2 A 9 TRP HZ2 1.0 0.0 4.33 273 273 A 11 PRO HD3 A 9 TRP HZ2 1.0 0.0 4.44 274 274 A 11 PRO HB2 A 9 TRP HZ2 1.0 0.0 5.04 275 275 A 35 HIS H A 13 CYS HB3 1.0 0.0 3.84 276 276 A 26 LEU H A 26 LEU HG 1.0 0.0 5.00 277 277 A 33 LEU HG A 35 HIS H 1.0 0.0 4.39 278 278 A 26 LEU H A 26 LEU HB2 1.0 0.0 3.46 279 279 A 26 LEU HDy% A 26 LEU H 1.0 0.0 4.66 280 280 A 12 VAL HGy% A 22 ASN H 1.0 0.0 5.23 281 281 A 11 PRO HB3 A 9 TRP HZ2 1.0 0.0 4.39 282 282 A 20 TYR HDy A 31 VAL HGx% 1.0 0.0 5.50 283 283 A 20 TYR HDy A 26 LEU HB2 1.0 0.0 4.41 284 284 A 20 TYR HDy A 31 VAL HGy% 1.0 0.0 5.45 285 285 A 20 TYR HDy A 12 VAL HGy% 1.0 0.0 4.13 286 286 A 20 TYR HDy A 26 LEU HDy% 1.0 0.0 3.63 287 287 A 11 PRO HB3 A 9 TRP HH2 1.0 0.0 4.93 288 288 A 11 PRO HD3 A 9 TRP HH2 1.0 0.0 4.79 289 289 A 11 PRO HD3 A 9 TRP HZ3 1.0 0.0 4.77 290 290 A 11 PRO HD3 A 9 TRP HD1 1.0 0.0 4.54 291 291 A 20 TYR HDy A 29 ALA HB% 1.0 0.0 5.30 292 292 A 35 HIS HD2 A 13 CYS HB3 1.0 0.0 5.13 293 293 A 11 PRO HG2 A 9 TRP HD1 1.0 0.0 5.37 294 294 A 35 HIS HD2 A 34 ASP HB2 1.0 0.0 5.14 295 295 A 35 HIS HD2 A 34 ASP HB3 1.0 0.0 4.38 296 296 A 20 TYR HDy A 20 TYR HB2 1.0 0.0 3.40 297 297 A 20 TYR HDy A 26 LEU HA 1.0 0.0 4.29 298 298 A 20 TYR HB3 A 20 TYR HDx 1.0 0.0 3.37 299 299 A 11 PRO HD2 A 9 TRP HD1 1.0 0.0 4.45 300 300 A 20 TYR HDx A 25 TRP HB2 1.0 0.0 3.95 301 301 A 20 TYR HDx A 25 TRP HB3 1.0 0.0 3.61 302 302 A 21 SER HA A 9 TRP HH2 1.0 0.0 4.77 303 303 A 21 SER HA A 9 TRP HZ3 1.0 0.0 3.81 304 304 A 20 TYR HDy A 14 GLY HA3 1.0 0.0 4.46 305 305 A 20 TYR HA A 20 TYR HDx 1.0 0.0 3.86 306 306 A 25 TRP HA A 20 TYR HDx 1.0 0.0 5.04 307 307 A 20 TYR HDy A 19 THR HA 1.0 0.0 4.91 308 308 A 9 TRP HA A 9 TRP HD1 1.0 0.0 5.43 309 309 A 20 TYR HDy A 13 CYS HA 1.0 0.0 4.56 310 310 A 26 LEU HDy% A 31 VAL H 1.0 0.0 5.00 311 311 A 31 VAL HGy% A 31 VAL H 1.0 0.0 3.47 312 312 A 31 VAL HGx% A 31 VAL H 1.0 0.0 3.96 313 313 A 31 VAL HB A 31 VAL H 1.0 0.0 3.39 314 314 A 31 VAL H A 29 ALA HB% 1.0 0.0 3.97 315 315 A 22 ASN HB3 A 22 ASN HD22 1.0 0.0 3.85 316 316 A 27 ASN HA A 27 ASN HD22 1.0 0.0 5.02 317 317 A 31 VAL H A 27 ASN HA 1.0 0.0 5.26 318 318 A 13 CYS HA A 19 THR HA 1.0 0.0 4.80 319 319 A 13 CYS HA A 14 GLY HA3 1.0 0.0 4.54 320 320 A 13 CYS HA A 19 THR HG2% 1.0 0.0 4.84 321 321 A 12 VAL HGy% A 12 VAL HA 1.0 0.0 3.97 322 322 A 12 VAL HGx% A 12 VAL HA 1.0 0.0 3.53 323 323 A 12 VAL HA A 36 GLU HA 1.0 0.0 3.61 324 324 A 36 GLU HA A 12 VAL HB 1.0 0.0 4.19 325 325 A 14 GLY HA3 A 31 VAL HGx% 1.0 0.0 4.15 326 326 A 31 VAL HGy% A 31 VAL HA 1.0 0.0 3.77 327 327 A 31 VAL HGx% A 31 VAL HA 1.0 0.0 3.58 328 328 A 12 VAL HGx% A 36 GLU HA 1.0 0.0 3.60 329 329 A 3 ALA HA A 4 VAL HGx% 1.0 0.0 4.96 330 330 A 3 ALA HA A 4 VAL HGy% 1.0 0.0 4.96 331 331 A 12 VAL HGy% A 11 PRO HA 1.0 0.0 4.82 332 332 A 26 LEU HDx% A 31 VAL HA 1.0 0.0 5.40 333 333 A 26 LEU HDy% A 14 GLY HA3 1.0 0.0 3.79 334 334 A 26 LEU HDy% A 33 LEU HA 1.0 0.0 3.97 335 335 A 26 LEU HDy% A 23 LEU HA 1.0 0.0 5.01 336 336 A 33 LEU HA A 26 LEU HDx% 1.0 0.0 3.97 337 337 A 33 LEU HA A 33 LEU HDy% 1.0 0.0 4.54 338 338 A 12 VAL HGy% A 23 LEU HA 1.0 0.0 3.25 339 339 A 38 GLU HA A 11 PRO HB3 1.0 0.0 4.55 340 340 A 21 SER HA A 11 PRO HB3 1.0 0.0 4.32 341 341 A 33 LEU HA A 33 LEU HDx% 1.0 0.0 4.54 342 342 A 23 LEU HA A 23 LEU HDx% 1.0 0.0 4.78 343 343 A 12 VAL HGx% A 23 LEU HA 1.0 0.0 4.40 344 344 A 23 LEU HA A 23 LEU HDy% 1.0 0.0 4.78 345 345 A 11 PRO HD3 A 21 SER HA 1.0 0.0 4.76 346 346 A 21 SER HA A 11 PRO HB2 1.0 0.0 5.13 347 347 A 38 GLU HA A 11 PRO HB2 1.0 0.0 4.04 348 348 A 23 LEU HA A 26 LEU HB2 1.0 0.0 4.07 349 349 A 33 LEU HG A 33 LEU HA 1.0 0.0 3.98 350 350 A 19 THR HG2% A 38 GLU HA 1.0 0.0 3.29 351 351 A 15 LYS HA A 15 LYS HGy 1.0 0.0 3.47 352 352 A 15 LYS HGx A 15 LYS HA 1.0 0.0 3.82 353 353 A 15 LYS HGx A 32 GLY HA2 1.0 0.0 5.50 354 354 A 23 LEU HA A 26 LEU HB3 1.0 0.0 3.89 355 355 A 23 LEU HA A 23 LEU HG 1.0 0.0 3.30 356 356 A 34 ASP HB2 A 15 LYS HA 1.0 0.0 3.94 357 357 A 38 GLU HA A 38 GLU HG3 1.0 0.0 3.93 358 358 A 20 TYR HB3 A 25 TRP HB3 1.0 0.0 3.90 359 359 A 15 LYS HGx A 32 GLY HA3 1.0 0.0 4.10 360 360 A 11 PRO HG3 A 37 GLY HA2 1.0 0.0 4.34 361 361 A 22 ASN HB3 A 10 ASP HB3 1.0 0.0 4.33 362 362 A 22 ASN HB3 A 10 ASP HB2 1.0 0.0 4.33 363 363 A 20 TYR HB3 A 25 TRP HB2 1.0 0.0 3.99 364 364 A 26 LEU HDy% A 26 LEU HA 1.0 0.0 3.55 365 365 A 26 LEU HDy% A 20 TYR HB3 1.0 0.0 4.39 366 366 A 26 LEU HDx% A 26 LEU HA 1.0 0.0 4.49 367 367 A 20 TYR HB3 A 12 VAL HGy% 1.0 0.0 3.94 368 368 A 20 TYR HB3 A 26 LEU HB2 1.0 0.0 4.39 369 369 A 26 LEU HG A 26 LEU HA 1.0 0.0 3.83 370 370 A 29 ALA HB% A 26 LEU HA 1.0 0.0 3.85 371 371 A 20 TYR HB2 A 12 VAL HGy% 1.0 0.0 3.63 372 372 A 20 TYR HB2 A 26 LEU HB2 1.0 0.0 4.27 373 373 A 26 LEU HDy% A 20 TYR HB2 1.0 0.0 5.30 374 374 A 11 PRO HG2 A 38 GLU HG2 1.0 0.0 4.63 375 375 A 11 PRO HG2 A 38 GLU HG3 1.0 0.0 5.05 376 376 A 13 CYS HB2 A 19 THR HG2% 1.0 0.0 5.23 377 377 A 19 THR HG2% A 38 GLU HG3 1.0 0.0 5.50 378 378 A 19 THR HG2% A 38 GLU HG2 1.0 0.0 4.73 379 379 A 11 PRO HB2 A 38 GLU HG2 1.0 0.0 4.59 380 380 A 38 GLU HG3 A 11 PRO HB2 1.0 0.0 4.44 381 381 A 19 THR HG2% A 38 GLU HB2 1.0 0.0 4.51 382 382 A 34 ASP HB2 A 15 LYS HGy 1.0 0.0 4.92 383 383 A 15 LYS HGx A 34 ASP HB2 1.0 0.0 5.20 384 384 A 19 THR HG2% A 38 GLU HB3 1.0 0.0 4.33 385 385 A 33 LEU HDx% A 33 LEU HB2 1.0 0.0 3.82 386 386 A 15 LYS HGx A 15 LYS HB2 1.0 0.0 2.83 387 387 A 31 VAL HGx% A 29 ALA HB% 1.0 0.0 4.39 388 388 A 31 VAL HGy% A 29 ALA HB% 1.0 0.0 3.37 389 389 A 33 LEU HB2 A 33 LEU HDy% 1.0 0.0 3.82 390 390 A 26 LEU HDx% A 26 LEU HB3 1.0 0.0 3.81 391 391 A 26 LEU HDx% A 31 VAL HB 1.0 0.0 5.38 392 392 A 26 LEU HDx% A 29 ALA HB% 1.0 0.0 4.92 393 393 A 26 LEU HDy% A 26 LEU HB3 1.0 0.0 4.03 394 394 A 26 LEU HDy% A 31 VAL HB 1.0 0.0 3.92 395 395 A 26 LEU HDy% A 29 ALA HB% 1.0 0.0 3.76 396 396 A 31 VAL HGy% A 26 LEU HG 1.0 0.0 5.23 397 397 A 33 LEU HDx% A 33 LEU HB3 1.0 0.0 3.82 398 398 A 33 LEU HB3 A 33 LEU HDy% 1.0 0.0 3.82 399 399 A 12 VAL HGy% A 26 LEU HG 1.0 0.0 3.85 400 400 A 19 THR HG2% A 11 PRO HB2 1.0 0.0 4.62 401 401 A 19 THR HG2% A 12 VAL HGy% 1.0 0.0 5.45 402 402 A 12 VAL HGy% A 26 LEU HB2 1.0 0.0 3.68 403 403 A 26 LEU HDy% A 31 VAL HGx% 1.0 0.0 3.79 404 404 A 26 LEU HDy% A 26 LEU HB2 1.0 0.0 3.76 405 405 A 26 LEU HDy% A 31 VAL HGy% 1.0 0.0 4.23 406 406 A 26 LEU HDy% A 12 VAL HGy% 1.0 0.0 3.44 407 407 A 21 SER HA A 11 PRO HA 1.0 0.0 4.68 408 408 A 38 GLU H A 38 GLU HB2 1.0 0.0 3.91 409 409 A 3 ALA HA A 4 VAL HGy% 1.0 0.0 4.25 410 409 A 3 ALA HA A 4 VAL HGx% 1.0 0.0 4.25 411 410 A 4 VAL H A 4 VAL HGy% 1.0 0.0 4.25 412 410 A 4 VAL H A 4 VAL HGx% 1.0 0.0 4.25 413 411 A 5 CYS H A 4 VAL HGy% 1.0 0.0 4.79 414 411 A 5 CYS H A 4 VAL HGx% 1.0 0.0 4.79 415 412 A 5 CYS H A 5 CYS HB2 1.0 0.0 3.62 416 412 A 5 CYS H A 5 CYS HB3 1.0 0.0 3.62 417 413 A 8 GLU HA A 9 TRP HB2 1.0 0.0 4.74 418 413 A 8 GLU HA A 9 TRP HB3 1.0 0.0 4.74 419 414 A 9 TRP H A 8 GLU HG2 1.0 0.0 4.12 420 414 A 9 TRP H A 8 GLU HG3 1.0 0.0 4.12 421 415 A 9 TRP HD1 A 9 TRP HB2 1.0 0.0 3.28 422 415 A 9 TRP HD1 A 9 TRP HB3 1.0 0.0 3.28 423 416 A 9 TRP HE3 A 9 TRP HB2 1.0 0.0 3.58 424 416 A 9 TRP HE3 A 9 TRP HB3 1.0 0.0 3.58 425 417 A 9 TRP HE3 A 21 SER HB3 1.0 0.0 3.78 426 417 A 9 TRP HE3 A 21 SER HB2 1.0 0.0 3.78 427 418 A 9 TRP HZ3 A 21 SER HB3 1.0 0.0 3.94 428 418 A 9 TRP HZ3 A 21 SER HB2 1.0 0.0 3.94 429 419 A 9 TRP HH2 A 21 SER HB3 1.0 0.0 4.78 430 419 A 9 TRP HH2 A 21 SER HB2 1.0 0.0 4.78 431 420 A 22 ASN HB3 A 10 ASP HB3 1.0 0.0 3.65 432 420 A 22 ASN HB3 A 10 ASP HB2 1.0 0.0 3.65 433 421 A 12 VAL HGx% A 36 GLU HG2 1.0 0.0 4.93 434 421 A 12 VAL HGx% A 36 GLU HG3 1.0 0.0 4.93 435 422 A 12 VAL HGy% A 23 LEU HDy% 1.0 0.0 3.49 436 422 A 12 VAL HGy% A 23 LEU HDx% 1.0 0.0 3.49 437 423 A 13 CYS H A 33 LEU HDy% 1.0 0.0 4.57 438 423 A 13 CYS H A 33 LEU HDx% 1.0 0.0 4.57 439 424 A 15 LYS HA A 15 LYS HD2 1.0 0.0 4.66 440 424 A 15 LYS HA A 15 LYS HD3 1.0 0.0 4.66 441 425 A 15 LYS HB3 A 15 LYS HD2 1.0 0.0 3.64 442 425 A 15 LYS HB3 A 15 LYS HD3 1.0 0.0 3.64 443 426 A 32 GLY H A 15 LYS HD2 1.0 0.0 4.44 444 426 A 32 GLY H A 15 LYS HD3 1.0 0.0 4.44 445 427 A 32 GLY HA3 A 15 LYS HD2 1.0 0.0 3.37 446 427 A 32 GLY HA3 A 15 LYS HD3 1.0 0.0 3.37 447 428 A 16 ASP H A 16 ASP HB3 1.0 0.0 3.68 448 428 A 16 ASP H A 16 ASP HB2 1.0 0.0 3.68 449 429 A 16 ASP H A 18 LYS HG3 1.0 0.0 5.34 450 429 A 16 ASP H A 18 LYS HG2 1.0 0.0 5.34 451 430 A 31 VAL HGx% A 16 ASP HB3 1.0 0.0 3.04 452 430 A 31 VAL HGx% A 16 ASP HB2 1.0 0.0 3.04 453 431 A 31 VAL HGy% A 16 ASP HB3 1.0 0.0 5.34 454 431 A 31 VAL HGy% A 16 ASP HB2 1.0 0.0 5.34 455 432 A 18 LYS H A 18 LYS HB3 1.0 0.0 3.27 456 432 A 18 LYS H A 18 LYS HB2 1.0 0.0 3.27 457 433 A 18 LYS H A 18 LYS HG3 1.0 0.0 3.78 458 433 A 18 LYS H A 18 LYS HG2 1.0 0.0 3.78 459 434 A 18 LYS HA A 18 LYS HG3 1.0 0.0 3.68 460 434 A 18 LYS HA A 18 LYS HG2 1.0 0.0 3.68 461 435 A 19 THR H A 18 LYS HB3 1.0 0.0 3.64 462 435 A 19 THR H A 18 LYS HB2 1.0 0.0 3.64 463 436 A 20 TYR HDy A 18 LYS HB3 1.0 0.0 4.14 464 436 A 20 TYR HDy A 18 LYS HB2 1.0 0.0 4.14 465 437 A 19 THR H A 18 LYS HG3 1.0 0.0 5.34 466 437 A 19 THR H A 18 LYS HG2 1.0 0.0 5.34 467 438 A 21 SER H A 21 SER HB3 1.0 0.0 3.38 468 438 A 21 SER H A 21 SER HB2 1.0 0.0 3.38 469 439 A 22 ASN H A 21 SER HB3 1.0 0.0 4.03 470 439 A 22 ASN H A 21 SER HB2 1.0 0.0 4.03 471 440 A 22 ASN H A 22 ASN HD21 1.0 0.0 4.34 472 440 A 22 ASN H A 22 ASN HD22 1.0 0.0 4.34 473 441 A 22 ASN HB3 A 22 ASN HD21 1.0 0.0 3.29 474 441 A 22 ASN HB3 A 22 ASN HD22 1.0 0.0 3.29 475 442 A 22 ASN HD21 A 25 TRP HD1 1.0 0.0 4.62 476 442 A 25 TRP HD1 A 22 ASN HD22 1.0 0.0 4.62 477 443 A 22 ASN HD21 A 25 TRP HE1 1.0 0.0 3.77 478 443 A 22 ASN HD22 A 25 TRP HE1 1.0 0.0 3.77 479 444 A 23 LEU H A 23 LEU HB2 1.0 0.0 3.05 480 444 A 23 LEU H A 23 LEU HB3 1.0 0.0 3.05 481 445 A 23 LEU H A 23 LEU HDy% 1.0 0.0 4.86 482 445 A 23 LEU H A 23 LEU HDx% 1.0 0.0 4.86 483 446 A 23 LEU HA A 23 LEU HDy% 1.0 0.0 3.45 484 446 A 23 LEU HA A 23 LEU HDx% 1.0 0.0 3.45 485 447 A 23 LEU HB2 A 23 LEU HDy% 1.0 0.0 2.62 486 447 A 23 LEU HB3 A 23 LEU HDy% 1.0 0.0 2.62 487 447 A 23 LEU HDx% A 23 LEU HB2 1.0 0.0 2.62 488 447 A 23 LEU HDx% A 23 LEU HB3 1.0 0.0 2.62 489 448 A 24 CYS H A 23 LEU HB2 1.0 0.0 4.25 490 448 A 24 CYS H A 23 LEU HB3 1.0 0.0 4.25 491 449 A 26 LEU H A 23 LEU HDy% 1.0 0.0 5.22 492 449 A 26 LEU H A 23 LEU HDx% 1.0 0.0 5.22 493 450 A 26 LEU HB3 A 23 LEU HDy% 1.0 0.0 4.58 494 450 A 26 LEU HB3 A 23 LEU HDx% 1.0 0.0 4.58 495 451 A 27 ASN H A 23 LEU HDy% 1.0 0.0 5.12 496 451 A 27 ASN H A 23 LEU HDx% 1.0 0.0 5.12 497 452 A 24 CYS HA A 27 ASN HB3 1.0 0.0 3.86 498 452 A 24 CYS HA A 27 ASN HB2 1.0 0.0 3.86 499 453 A 25 TRP H A 24 CYS HB2 1.0 0.0 3.35 500 453 A 25 TRP H A 24 CYS HB3 1.0 0.0 3.35 501 454 A 26 LEU HDx% A 33 LEU HB2 1.0 0.0 3.54 502 454 A 26 LEU HDx% A 33 LEU HB3 1.0 0.0 3.54 503 455 A 27 ASN HA A 27 ASN HD21 1.0 0.0 4.32 504 455 A 27 ASN HA A 27 ASN HD22 1.0 0.0 4.32 505 456 A 27 ASN HD21 A 27 ASN HB3 1.0 0.0 3.23 506 456 A 27 ASN HD21 A 27 ASN HB2 1.0 0.0 3.23 507 456 A 27 ASN HD22 A 27 ASN HB3 1.0 0.0 3.23 508 456 A 27 ASN HD22 A 27 ASN HB2 1.0 0.0 3.23 509 457 A 28 GLU H A 27 ASN HB3 1.0 0.0 3.56 510 457 A 28 GLU H A 27 ASN HB2 1.0 0.0 3.56 511 458 A 28 GLU H A 28 GLU HG2 1.0 0.0 2.76 512 458 A 28 GLU H A 28 GLU HG3 1.0 0.0 2.76 513 459 A 28 GLU HA A 28 GLU HG2 1.0 0.0 3.68 514 459 A 28 GLU HA A 28 GLU HG3 1.0 0.0 3.68 515 460 A 32 GLY HA2 A 33 LEU HB2 1.0 0.0 5.34 516 460 A 32 GLY HA2 A 33 LEU HB3 1.0 0.0 5.34 517 461 A 33 LEU H A 33 LEU HDy% 1.0 0.0 4.76 518 461 A 33 LEU H A 33 LEU HDx% 1.0 0.0 4.76 519 462 A 33 LEU HA A 33 LEU HDy% 1.0 0.0 3.83 520 462 A 33 LEU HA A 33 LEU HDx% 1.0 0.0 3.83 521 463 A 33 LEU HB3 A 33 LEU HDy% 1.0 0.0 2.81 522 463 A 33 LEU HB2 A 33 LEU HDy% 1.0 0.0 2.81 523 463 A 33 LEU HDx% A 33 LEU HB2 1.0 0.0 2.81 524 463 A 33 LEU HDx% A 33 LEU HB3 1.0 0.0 2.81 525 464 A 34 ASP H A 33 LEU HB2 1.0 0.0 4.28 526 464 A 34 ASP H A 33 LEU HB3 1.0 0.0 4.28 527 465 A 35 HIS H A 33 LEU HB2 1.0 0.0 5.34 528 465 A 35 HIS H A 33 LEU HB3 1.0 0.0 5.34 529 466 A 34 ASP H A 33 LEU HDy% 1.0 0.0 3.55 530 466 A 34 ASP H A 33 LEU HDx% 1.0 0.0 3.55 531 467 A 35 HIS H A 33 LEU HDy% 1.0 0.0 3.48 532 467 A 35 HIS H A 33 LEU HDx% 1.0 0.0 3.48 533 468 A 36 GLU H A 33 LEU HDy% 1.0 0.0 5.44 534 468 A 36 GLU H A 33 LEU HDx% 1.0 0.0 5.44 535 469 A 36 GLU HA A 33 LEU HDy% 1.0 0.0 4.56 536 469 A 36 GLU HA A 33 LEU HDx% 1.0 0.0 4.56 537 470 A 33 LEU HDx% A 36 GLU HG2 1.0 0.0 4.35 538 470 A 33 LEU HDy% A 36 GLU HG2 1.0 0.0 4.35 539 470 A 36 GLU HG3 A 33 LEU HDy% 1.0 0.0 4.35 540 470 A 36 GLU HG3 A 33 LEU HDx% 1.0 0.0 4.35 541 471 A 35 HIS HD2 A 35 HIS HB2 1.0 0.0 3.45 542 471 A 35 HIS HD2 A 35 HIS HB3 1.0 0.0 3.45 543 472 A 35 HIS HE1 A 35 HIS HB2 1.0 0.0 4.71 544 472 A 35 HIS HE1 A 35 HIS HB3 1.0 0.0 4.71 545 473 A 36 GLU H A 35 HIS HB2 1.0 0.0 3.41 546 473 A 36 GLU H A 35 HIS HB3 1.0 0.0 3.41 547 474 A 36 GLU H A 36 GLU HB3 1.0 0.0 3.25 548 474 A 36 GLU H A 36 GLU HB2 1.0 0.0 3.25 549 475 A 36 GLU HA A 36 GLU HG2 1.0 0.0 3.69 550 475 A 36 GLU HA A 36 GLU HG3 1.0 0.0 3.69 551 476 A 37 GLY H A 36 GLU HB3 1.0 0.0 3.74 552 476 A 37 GLY H A 36 GLU HB2 1.0 0.0 3.74 553 477 A 37 GLY H A 36 GLU HG2 1.0 0.0 5.34 554 477 A 37 GLY H A 36 GLU HG3 1.0 0.0 5.34 555 478 A 40 LEU H A 39 CYS HB2 1.0 0.0 3.54 556 478 A 40 LEU H A 39 CYS HB3 1.0 0.0 3.54 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 CYS SG A 24 CYS SG 1.0 0.0 2.02 2 2 A 5 CYS SG A 24 CYS CB 1.0 0.0 3.01 3 3 A 13 CYS SG A 39 CYS SG 1.0 0.0 2.02 4 4 A 13 CYS SG A 39 CYS CB 1.0 0.0 3.01 stop_ save_