data_nef_c19450_2mcr 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 BMRB 19460 PDB 1ROO PDB 2K72 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 2 CYS SG 1 36 CYS SG 1 9 CYS SG 1 29 CYS SG 1 18 CYS SG 1 33 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 VAL start . . 2 A 2 CYS middle -HG . 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 LEU middle . . 6 A 6 ASN middle . . 7 A 7 ALA middle . . 8 A 8 HIS middle . . 9 A 9 CYS middle -HG . 10 A 10 GLU middle . . 11 A 11 MET middle . . 12 A 12 TRP middle . . 13 A 13 GLN middle . . 14 A 14 GLN middle . . 15 A 15 LEU middle . . 16 A 16 GLY middle . false 17 A 17 HIS middle . . 18 A 18 CYS middle -HG . 19 A 19 GLN middle . . 20 A 20 TYR middle . . 21 A 21 SER middle . . 22 A 22 PRO middle . false 23 A 23 LYS middle . . 24 A 24 TYR middle . . 25 A 25 MET middle . . 26 A 26 GLY middle . false 27 A 27 HIS middle . . 28 A 28 TYR middle . . 29 A 29 CYS middle -HG . 30 A 30 LYS middle . . 31 A 31 LYS middle . . 32 A 32 ALA middle . . 33 A 33 CYS middle -HG . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 CYS middle -HG . 37 A 37 NH2 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 VAL HA H 1 3.764 0.007 A 1 VAL HB H 1 2.158 0.005 A 1 VAL HG2% H 1 0.955 0.005 A 1 VAL CA C 13 60.986 0.016 A 1 VAL CB C 13 32.799 0.000 A 1 VAL CGx C 13 19.710 0.000 A 1 VAL CGy C 13 20.285 0.000 A 2 CYS H H 1 9.029 0.011 A 2 CYS HBx H 1 3.008 0.000 A 2 CYS HBy H 1 3.998 0.842 A 2 CYS CB C 13 38.890 0.000 A 2 CYS N N 15 126.377 0.000 A 3 GLU H H 1 8.376 0.001 A 3 GLU HA H 1 4.706 0.006 A 3 GLU HBx H 1 1.904 0.000 A 3 GLU HBy H 1 2.014 0.000 A 3 GLU HGy H 1 2.180 0.000 A 3 GLU HGx H 1 2.075 0.000 A 3 GLU CA C 13 55.882 0.011 A 3 GLU CB C 13 32.564 0.009 A 3 GLU CG C 13 33.812 0.015 A 3 GLU N N 15 124.885 0.000 A 4 ASP H H 1 8.876 0.002 A 4 ASP HA H 1 5.148 0.005 A 4 ASP HBy H 1 3.060 0.011 A 4 ASP HBx H 1 2.608 0.005 A 4 ASP CA C 13 55.056 0.014 A 4 ASP CB C 13 43.228 0.017 A 4 ASP N N 15 121.930 0.000 A 5 LEU H H 1 9.373 0.002 A 5 LEU HA H 1 4.700 0.007 A 5 LEU HB2 H 1 2.089 0.002 A 5 LEU HD2% H 1 0.894 0.002 A 5 LEU HG H 1 1.711 0.005 A 5 LEU CA C 13 54.430 0.017 A 5 LEU CB C 13 43.361 0.000 A 5 LEU CDy C 13 25.380 0.000 A 5 LEU CDx C 13 22.368 0.000 A 5 LEU CG C 13 27.260 0.000 A 5 LEU N N 15 119.092 0.000 A 6 ASN H H 1 7.398 0.005 A 6 ASN HA H 1 4.918 0.004 A 6 ASN HBy H 1 3.091 0.011 A 6 ASN HBx H 1 2.639 0.008 A 6 ASN HD21 H 1 7.536 0.002 A 6 ASN HD22 H 1 7.973 0.001 A 6 ASN CA C 13 53.017 0.000 A 6 ASN CB C 13 42.915 0.004 A 6 ASN N N 15 117.782 0.000 A 6 ASN ND2 N 15 115.645 0.001 A 7 ALA H H 1 9.016 0.002 A 7 ALA HA H 1 4.152 0.003 A 7 ALA HB% H 1 1.174 0.005 A 7 ALA CA C 13 54.108 0.018 A 7 ALA CB C 13 18.370 0.000 A 7 ALA N N 15 130.815 0.000 A 8 HIS H H 1 9.346 0.002 A 8 HIS HA H 1 4.335 0.002 A 8 HIS HBy H 1 1.639 0.003 A 8 HIS HBx H 1 1.029 0.007 A 8 HIS HD2 H 1 7.109 0.005 A 8 HIS HE1 H 1 8.538 0.012 A 8 HIS CA C 13 62.017 0.000 A 8 HIS CB C 13 25.596 0.000 A 8 HIS CD2 C 13 119.939 0.000 A 8 HIS CE1 C 13 136.183 0.000 A 8 HIS N N 15 114.507 0.000 A 9 CYS H H 1 7.505 0.001 A 9 CYS HA H 1 4.434 0.004 A 9 CYS HBy H 1 3.041 0.005 A 9 CYS HBx H 1 2.757 0.002 A 9 CYS CA C 13 59.789 0.016 A 9 CYS CB C 13 36.932 0.016 A 9 CYS N N 15 116.419 0.000 A 10 GLU H H 1 8.848 0.001 A 10 GLU HA H 1 4.082 0.004 A 10 GLU HB2 H 1 2.065 0.001 A 10 GLU HGx H 1 2.320 0.012 A 10 GLU HGy H 1 2.397 0.000 A 10 GLU CA C 13 60.177 0.000 A 10 GLU CB C 13 28.147 0.000 A 10 GLU CG C 13 35.560 0.001 A 10 GLU N N 15 119.951 0.000 A 11 MET H H 1 7.920 0.003 A 11 MET HA H 1 4.107 0.007 A 11 MET HBx H 1 1.918 0.000 A 11 MET HBy H 1 2.024 0.000 A 11 MET HE% H 1 1.949 0.000 A 11 MET HGy H 1 2.534 0.000 A 11 MET HGx H 1 2.389 0.000 A 11 MET CA C 13 58.574 0.000 A 11 MET CB C 13 31.841 0.016 A 11 MET CE C 13 17.016 0.000 A 11 MET CG C 13 31.567 0.004 A 11 MET N N 15 121.293 0.000 A 12 TRP H H 1 8.383 0.002 A 12 TRP HA H 1 4.245 0.000 A 12 TRP HBy H 1 3.445 0.006 A 12 TRP HBx H 1 2.968 0.012 A 12 TRP HD1 H 1 6.699 0.005 A 12 TRP HE1 H 1 10.134 0.000 A 12 TRP HE3 H 1 7.642 0.004 A 12 TRP HH2 H 1 7.148 0.007 A 12 TRP HZ2 H 1 7.215 0.012 A 12 TRP HZ3 H 1 7.086 0.002 A 12 TRP CA C 13 58.110 0.000 A 12 TRP CB C 13 28.680 0.013 A 12 TRP CD1 C 13 122.725 0.000 A 12 TRP CE3 C 13 119.961 0.024 A 12 TRP CZ2 C 13 114.614 0.001 A 12 TRP CZ3 C 13 122.543 0.000 A 12 TRP N N 15 118.764 0.000 A 12 TRP NE1 N 15 128.200 0.000 A 13 GLN H H 1 9.051 0.001 A 13 GLN HA H 1 4.235 0.001 A 13 GLN HBy H 1 2.770 0.000 A 13 GLN HBx H 1 1.818 0.001 A 13 GLN HE21 H 1 6.713 0.002 A 13 GLN HE22 H 1 7.338 0.002 A 13 GLN HGy H 1 2.795 0.000 A 13 GLN HGx H 1 2.540 0.003 A 13 GLN CA C 13 59.211 0.000 A 13 GLN CB C 13 26.889 0.002 A 13 GLN CG C 13 32.872 0.002 A 13 GLN N N 15 123.583 0.000 A 13 GLN NE2 N 15 109.946 0.009 A 14 GLN H H 1 8.359 0.004 A 14 GLN HA H 1 3.975 0.005 A 14 GLN HBx H 1 2.219 0.000 A 14 GLN HBy H 1 2.396 0.007 A 14 GLN HE21 H 1 6.795 0.002 A 14 GLN HE22 H 1 7.604 0.001 A 14 GLN HGy H 1 2.704 0.000 A 14 GLN HGx H 1 2.530 0.000 A 14 GLN CA C 13 58.935 0.014 A 14 GLN CB C 13 27.999 0.010 A 14 GLN CG C 13 34.165 0.006 A 14 GLN N N 15 114.111 0.000 A 14 GLN NE2 N 15 111.818 0.003 A 15 LEU H H 1 7.553 0.001 A 15 LEU HA H 1 4.471 0.003 A 15 LEU HBy H 1 1.899 0.000 A 15 LEU HBx H 1 1.688 0.000 A 15 LEU HD2% H 1 0.960 0.000 A 15 LEU CA C 13 54.794 0.001 A 15 LEU CB C 13 43.107 0.006 A 15 LEU CD2 C 13 22.083 0.000 A 15 LEU CG C 13 26.349 0.000 A 15 LEU N N 15 117.658 0.000 A 16 GLY H H 1 7.859 0.002 A 16 GLY HAx H 1 4.045 0.002 A 16 GLY HAy H 1 4.438 0.001 A 16 GLY CA C 13 46.260 0.031 A 16 GLY N N 15 106.380 0.000 A 17 HIS H H 1 8.606 0.005 A 17 HIS HA H 1 4.233 0.005 A 17 HIS HBy H 1 3.222 0.005 A 17 HIS HBx H 1 2.972 0.010 A 17 HIS HD2 H 1 7.000 0.001 A 17 HIS HE1 H 1 7.917 0.003 A 17 HIS CA C 13 58.912 0.000 A 17 HIS CB C 13 29.782 0.004 A 17 HIS CD2 C 13 118.058 0.000 A 17 HIS CE1 C 13 137.469 0.000 A 17 HIS N N 15 116.016 0.000 A 18 CYS H H 1 9.681 0.003 A 18 CYS HA H 1 4.020 0.002 A 18 CYS HB2 H 1 3.114 0.002 A 18 CYS CA C 13 59.405 0.000 A 18 CYS CB C 13 37.937 0.000 A 18 CYS N N 15 119.185 0.000 A 19 GLN H H 1 7.173 0.002 A 19 GLN HA H 1 4.284 0.004 A 19 GLN HB2 H 1 1.989 0.002 A 19 GLN HE21 H 1 7.509 0.000 A 19 GLN HE22 H 1 6.930 0.002 A 19 GLN HG2 H 1 2.219 0.000 A 19 GLN CA C 13 57.548 0.021 A 19 GLN CB C 13 28.742 0.012 A 19 GLN CG C 13 34.080 0.000 A 19 GLN N N 15 114.091 0.000 A 19 GLN NE2 N 15 112.544 0.001 A 20 TYR H H 1 7.442 0.000 A 20 TYR HA H 1 4.633 0.006 A 20 TYR HBy H 1 3.124 0.004 A 20 TYR HBx H 1 2.827 0.001 A 20 TYR HDx H 1 6.993 0.003 A 20 TYR HDy H 1 6.993 0.003 A 20 TYR HEx H 1 6.838 0.003 A 20 TYR HEy H 1 6.838 0.003 A 20 TYR CA C 13 58.801 0.011 A 20 TYR CB C 13 38.974 0.012 A 20 TYR CDx C 13 132.677 0.000 A 20 TYR CDy C 13 132.677 0.000 A 20 TYR CEx C 13 118.209 0.000 A 20 TYR CEy C 13 118.209 0.000 A 20 TYR N N 15 116.340 0.000 A 21 SER H H 1 8.372 0.004 A 21 SER HA H 1 4.933 0.018 A 21 SER HBx H 1 3.644 0.021 A 21 SER HBy H 1 4.081 0.011 A 21 SER CA C 13 54.779 0.000 A 21 SER CB C 13 63.040 0.016 A 21 SER N N 15 123.873 0.000 A 22 PRO HA H 1 4.243 0.005 A 22 PRO HBy H 1 2.353 0.002 A 22 PRO HBx H 1 1.993 0.004 A 22 PRO HDx H 1 3.342 0.005 A 22 PRO HDy H 1 3.628 0.010 A 22 PRO HG2 H 1 2.053 0.012 A 22 PRO CA C 13 65.637 0.014 A 22 PRO CB C 13 31.840 0.002 A 22 PRO CD C 13 50.334 0.014 A 22 PRO CG C 13 27.415 0.000 A 23 LYS H H 1 8.225 0.002 A 23 LYS HA H 1 4.126 0.005 A 23 LYS HB2 H 1 1.879 0.000 A 23 LYS HD2 H 1 1.709 0.000 A 23 LYS HGx H 1 1.401 0.000 A 23 LYS HGy H 1 1.517 0.000 A 23 LYS CA C 13 59.531 0.000 A 23 LYS CB C 13 31.668 0.000 A 23 LYS CD C 13 29.027 0.000 A 23 LYS CE C 13 41.971 0.000 A 23 LYS CG C 13 25.314 0.003 A 23 LYS N N 15 121.196 0.000 A 24 TYR H H 1 8.318 0.001 A 24 TYR HA H 1 4.324 0.002 A 24 TYR HBx H 1 2.820 0.000 A 24 TYR HBy H 1 3.151 0.006 A 24 TYR HDx H 1 6.838 0.001 A 24 TYR HDy H 1 6.838 0.001 A 24 TYR HEx H 1 6.518 0.004 A 24 TYR HEy H 1 6.518 0.004 A 24 TYR CA C 13 55.347 0.000 A 24 TYR CB C 13 39.369 0.008 A 24 TYR CDx C 13 132.634 0.000 A 24 TYR CDy C 13 132.634 0.000 A 24 TYR CEx C 13 119.172 0.000 A 24 TYR CEy C 13 119.172 0.000 A 24 TYR N N 15 120.716 0.000 A 25 MET H H 1 8.636 0.001 A 25 MET HA H 1 4.344 0.004 A 25 MET HBx H 1 2.169 0.003 A 25 MET HBy H 1 2.451 0.007 A 25 MET HE% H 1 2.277 0.001 A 25 MET HGx H 1 2.378 0.000 A 25 MET HGy H 1 2.848 0.014 A 25 MET CA C 13 56.843 0.000 A 25 MET CB C 13 31.620 0.001 A 25 MET CE C 13 18.794 0.000 A 25 MET CG C 13 33.891 0.006 A 25 MET N N 15 117.494 0.000 A 26 GLY H H 1 8.290 0.003 A 26 GLY HA2 H 1 3.777 0.006 A 26 GLY CA C 13 45.915 0.012 A 26 GLY N N 15 104.942 0.000 A 27 HIS H H 1 7.206 0.002 A 27 HIS HA H 1 4.566 0.003 A 27 HIS HBx H 1 2.881 0.004 A 27 HIS HBy H 1 2.985 0.002 A 27 HIS HD2 H 1 5.396 0.003 A 27 HIS HE1 H 1 8.421 0.000 A 27 HIS CA C 13 56.626 0.000 A 27 HIS CB C 13 29.875 0.008 A 27 HIS CD2 C 13 118.376 0.000 A 27 HIS CE1 C 13 136.196 0.000 A 27 HIS N N 15 115.046 0.000 A 28 TYR H H 1 8.199 0.001 A 28 TYR HA H 1 4.311 0.002 A 28 TYR HBy H 1 3.088 0.001 A 28 TYR HBx H 1 2.398 0.003 A 28 TYR HDx H 1 6.725 0.004 A 28 TYR HDy H 1 6.725 0.004 A 28 TYR HEx H 1 6.513 0.001 A 28 TYR HEy H 1 6.513 0.001 A 28 TYR CA C 13 61.449 0.000 A 28 TYR CB C 13 40.662 0.009 A 28 TYR CDx C 13 133.975 0.000 A 28 TYR CDy C 13 133.975 0.000 A 28 TYR N N 15 114.431 0.000 A 29 CYS H H 1 8.466 0.001 A 29 CYS HA H 1 6.006 0.006 A 29 CYS HBx H 1 3.000 0.005 A 29 CYS HBy H 1 3.563 0.005 A 29 CYS CA C 13 51.384 0.016 A 29 CYS CB C 13 37.055 0.013 A 29 CYS N N 15 119.776 0.000 A 30 LYS H H 1 8.872 0.001 A 30 LYS HA H 1 3.594 0.009 A 30 LYS HBx H 1 1.510 0.000 A 30 LYS HBy H 1 1.681 0.000 A 30 LYS HD2 H 1 1.702 0.000 A 30 LYS HGy H 1 1.484 0.000 A 30 LYS HGx H 1 1.279 0.000 A 30 LYS CA C 13 61.244 0.013 A 30 LYS CB C 13 34.240 0.002 A 30 LYS CD C 13 29.809 0.000 A 30 LYS CE C 13 41.981 0.000 A 30 LYS CG C 13 26.876 0.002 A 30 LYS N N 15 119.011 0.000 A 31 LYS H H 1 7.183 0.005 A 31 LYS HA H 1 4.028 0.006 A 31 LYS HBx H 1 1.305 0.000 A 31 LYS HBy H 1 1.836 0.005 A 31 LYS HDx H 1 1.635 0.000 A 31 LYS HDy H 1 1.694 0.000 A 31 LYS HG2 H 1 1.308 0.003 A 31 LYS CA C 13 58.969 0.000 A 31 LYS CB C 13 32.325 0.013 A 31 LYS CD C 13 29.582 0.000 A 31 LYS CE C 13 41.870 0.000 A 31 LYS CG C 13 25.030 0.000 A 31 LYS N N 15 117.963 0.000 A 32 ALA H H 1 11.370 0.001 A 32 ALA HA H 1 4.114 0.007 A 32 ALA HB% H 1 1.469 0.003 A 32 ALA CA C 13 55.145 0.000 A 32 ALA CB C 13 18.092 0.000 A 32 ALA N N 15 129.495 0.000 A 33 CYS H H 1 7.904 0.001 A 33 CYS HA H 1 4.895 0.002 A 33 CYS HBx H 1 2.605 0.003 A 33 CYS HBy H 1 3.434 0.002 A 33 CYS CA C 13 54.274 0.000 A 33 CYS CB C 13 37.793 0.001 A 33 CYS N N 15 109.017 0.000 A 34 GLY H H 1 8.130 0.004 A 34 GLY HA2 H 1 4.075 0.007 A 34 GLY CA C 13 47.128 0.017 A 34 GLY N N 15 110.854 0.019 A 35 LEU H H 1 8.601 0.002 A 35 LEU HA H 1 4.498 0.006 A 35 LEU HBy H 1 1.785 0.002 A 35 LEU HBx H 1 1.659 0.002 A 35 LEU HDx% H 1 0.829 0.002 A 35 LEU HDy% H 1 0.951 0.003 A 35 LEU HG H 1 1.379 0.002 A 35 LEU CA C 13 54.259 0.025 A 35 LEU CB C 13 41.868 0.008 A 35 LEU CDx C 13 22.047 0.000 A 35 LEU CDy C 13 26.108 0.000 A 35 LEU CG C 13 26.805 0.000 A 35 LEU N N 15 118.448 0.000 A 36 CYS H H 1 8.217 0.001 A 36 CYS HA H 1 4.548 0.008 A 36 CYS HBx H 1 3.124 0.005 A 36 CYS HBy H 1 3.275 0.002 A 36 CYS CA C 13 54.051 0.000 A 36 CYS CB C 13 39.326 0.003 A 36 CYS N N 15 117.853 0.000 A 37 NH2 HN1 H 1 7.292 0.002 A 37 NH2 HN2 H 1 7.614 0.000 A 37 NH2 N N 15 107.523 0.003 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 1 VAL HA A 1 VAL HG11 1.0 1.8 3.08 2 1 A 1 VAL HA A 1 VAL HG2% 1.0 1.8 3.08 3 2 A 1 VAL HA A 2 CYS HA 1.0 1.8 4.86 4 3 A 2 CYS HA A 1 VAL HG11 1.0 1.8 3.96 5 3 A 1 VAL HG2% A 2 CYS HA 1.0 1.8 3.96 6 4 A 3 GLU H A 1 VAL HG11 1.0 1.8 4.44 7 4 A 1 VAL HG2% A 3 GLU H 1.0 1.8 4.44 8 5 A 2 CYS CB A 36 CYS SG 1.0 1.8 3.10 9 6 A 2 CYS HA A 30 LYS HGy 1.0 1.8 4.10 10 7 A 2 CYS HA A 36 CYS HBy 1.0 1.8 5.34 11 7 A 2 CYS HA A 36 CYS HBx 1.0 1.8 5.34 12 8 A 2 CYS HA A 3 GLU H 1.0 1.8 2.52 13 9 A 3 GLU H A 2 CYS HBx 1.0 1.8 3.70 14 9 A 3 GLU H A 2 CYS HBy 1.0 1.8 3.70 15 10 A 2 CYS SG A 36 CYS CB 1.0 1.8 3.10 16 11 A 36 CYS SG A 2 CYS SG 1.0 1.8 2.10 17 12 A 3 GLU H A 30 LYS H 1.0 1.8 4.80 18 13 A 3 GLU H A 30 LYS HBy 1.0 1.8 4.63 19 14 A 3 GLU H A 30 LYS HDy 1.0 1.8 4.60 20 15 A 3 GLU H A 30 LYS HGy 1.0 1.8 4.10 21 16 A 3 GLU H A 30 LYS HGx 1.0 1.8 4.55 22 17 A 3 GLU H A 31 LYS H 1.0 1.8 5.07 23 18 A 3 GLU H A 3 GLU HBy 1.0 1.8 3.53 24 19 A 3 GLU H A 3 GLU HGy 1.0 1.8 3.31 25 20 A 3 GLU H A 3 GLU HGx 1.0 1.8 4.07 26 21 A 3 GLU H A 5 LEU HD2% 1.0 1.8 4.58 27 22 A 30 LYS HGy A 3 GLU HA 1.0 1.8 4.42 28 23 A 31 LYS H A 3 GLU HA 1.0 1.8 4.29 29 24 A 3 GLU HA A 31 LYS HA 1.0 1.8 5.39 30 25 A 3 GLU HA A 31 LYS HDx 1.0 1.8 3.82 31 25 A 3 GLU HA A 31 LYS HDy 1.0 1.8 3.82 32 26 A 3 GLU HA A 32 ALA H 1.0 1.8 5.50 33 27 A 3 GLU HA A 36 CYS HBy 1.0 1.8 5.34 34 27 A 36 CYS HBx A 3 GLU HA 1.0 1.8 5.34 35 28 A 3 GLU HGy A 3 GLU HA 1.0 1.8 4.01 36 29 A 3 GLU HA A 4 ASP H 1.0 1.8 2.67 37 30 A 3 GLU HA A 4 ASP HBx 1.0 1.8 4.87 38 31 A 4 ASP H A 3 GLU HBx 1.0 1.8 2.96 39 32 A 3 GLU HGy A 4 ASP H 1.0 1.8 4.42 40 33 A 3 GLU HGx A 4 ASP HA 1.0 1.8 4.98 41 34 A 4 ASP H A 4 ASP HBx 1.0 1.8 2.92 42 35 A 5 LEU HD2% A 4 ASP H 1.0 1.8 5.36 43 36 A 4 ASP HA A 29 CYS H 1.0 1.8 4.96 44 37 A 4 ASP HA A 29 CYS HA 1.0 1.8 3.21 45 38 A 30 LYS H A 4 ASP HA 1.0 1.8 3.74 46 39 A 4 ASP HA A 30 LYS HD2 1.0 1.8 5.50 47 40 A 31 LYS H A 4 ASP HA 1.0 1.8 4.18 48 41 A 4 ASP HA A 31 LYS HBx 1.0 1.8 5.05 49 42 A 32 ALA H A 4 ASP HA 1.0 1.8 4.70 50 43 A 4 ASP HA A 32 ALA HB% 1.0 1.8 5.50 51 44 A 4 ASP HA A 5 LEU H 1.0 1.8 2.86 52 45 A 4 ASP HA A 5 LEU HB2 1.0 1.8 4.61 53 46 A 4 ASP HA A 5 LEU HG 1.0 1.8 4.25 54 47 A 5 LEU HD2% A 4 ASP HA 1.0 1.8 4.75 55 48 A 4 ASP HA A 6 ASN H 1.0 1.8 4.05 56 49 A 29 CYS HA A 4 ASP HBy 1.0 1.8 4.10 57 50 A 5 LEU H A 4 ASP HBy 1.0 1.8 3.39 58 51 A 4 ASP HBx A 29 CYS HA 1.0 1.8 4.14 59 52 A 31 LYS H A 4 ASP HBx 1.0 1.8 4.64 60 53 A 32 ALA H A 4 ASP HBx 1.0 1.8 4.32 61 54 A 4 ASP HBx A 32 ALA HB% 1.0 1.8 3.92 62 55 A 4 ASP HBx A 5 LEU H 1.0 1.8 4.27 63 56 A 5 LEU H A 28 TYR HA 1.0 1.8 4.04 64 57 A 5 LEU H A 28 TYR HBy 1.0 1.8 5.21 65 58 A 5 LEU H A 28 TYR HD% 1.0 1.8 4.30 66 59 A 29 CYS HA A 5 LEU H 1.0 1.8 3.81 67 60 A 30 LYS H A 5 LEU H 1.0 1.8 4.39 68 61 A 5 LEU H A 5 LEU HB2 1.0 1.8 3.22 69 62 A 5 LEU H A 5 LEU HBy 1.0 1.8 3.75 70 63 A 5 LEU H A 5 LEU HG 1.0 1.8 3.28 71 64 A 5 LEU H A 5 LEU HD11 1.0 1.8 4.30 72 65 A 5 LEU HD2% A 5 LEU H 1.0 1.8 4.51 73 66 A 5 LEU H A 6 ASN H 1.0 1.8 3.04 74 67 A 28 TYR HD% A 5 LEU HA 1.0 1.8 5.11 75 68 A 5 LEU HG A 5 LEU HA 1.0 1.8 3.58 76 69 A 5 LEU HD2% A 5 LEU HA 1.0 1.8 3.10 77 70 A 5 LEU HB2 A 28 TYR H 1.0 1.8 5.18 78 71 A 5 LEU HB2 A 28 TYR HA 1.0 1.8 3.34 79 72 A 5 LEU HB2 A 28 TYR HBx 1.0 1.8 3.90 80 73 A 5 LEU HB2 A 28 TYR HD% 1.0 1.8 2.81 81 74 A 5 LEU HB2 A 5 LEU HD11 1.0 1.8 3.43 82 75 A 5 LEU HB2 A 6 ASN H 1.0 1.8 3.85 83 76 A 5 LEU HBy A 28 TYR HBx 1.0 1.8 4.57 84 77 A 28 TYR HD% A 5 LEU HBy 1.0 1.8 2.97 85 78 A 6 ASN H A 5 LEU HBy 1.0 1.8 3.88 86 79 A 5 LEU HBy A 6 ASN HBy 1.0 1.8 4.97 87 80 A 5 LEU HG A 28 TYR HA 1.0 1.8 3.99 88 81 A 29 CYS H A 5 LEU HG 1.0 1.8 5.50 89 82 A 29 CYS HA A 5 LEU HG 1.0 1.8 4.61 90 83 A 5 LEU HG A 6 ASN H 1.0 1.8 4.64 91 84 A 5 LEU HD11 A 27 HIS H 1.0 1.8 5.50 92 85 A 5 LEU HD11 A 27 HIS HD2 1.0 1.8 3.82 93 86 A 5 LEU HD11 A 28 TYR H 1.0 1.8 4.47 94 87 A 28 TYR HA A 5 LEU HD11 1.0 1.8 2.97 95 88 A 5 LEU HD11 A 28 TYR HBx 1.0 1.8 3.97 96 89 A 28 TYR HD% A 5 LEU HD11 1.0 1.8 3.34 97 90 A 5 LEU HD11 A 28 TYR HE% 1.0 1.8 5.50 98 91 A 29 CYS HA A 5 LEU HD11 1.0 1.8 5.23 99 92 A 6 ASN H A 5 LEU HD11 1.0 1.8 5.11 100 93 A 5 LEU HD2% A 6 ASN H 1.0 1.8 5.49 101 94 A 6 ASN H A 28 TYR HA 1.0 1.8 4.98 102 95 A 6 ASN H A 28 TYR HBx 1.0 1.8 3.82 103 96 A 29 CYS HA A 6 ASN H 1.0 1.8 4.66 104 97 A 6 ASN H A 6 ASN HBy 1.0 1.8 3.21 105 98 A 6 ASN H A 6 ASN HBx 1.0 1.8 3.61 106 99 A 6 ASN H A 7 ALA H 1.0 1.8 5.40 107 100 A 6 ASN H A 9 CYS HBx 1.0 1.8 5.19 108 101 A 6 ASN HA A 6 ASN HD21 1.0 1.8 4.65 109 101 A 6 ASN HA A 6 ASN HD22 1.0 1.8 4.65 110 102 A 6 ASN HA A 7 ALA HB% 1.0 1.8 4.28 111 103 A 6 ASN HA A 8 HIS H 1.0 1.8 4.37 112 104 A 6 ASN HBy A 12 TRP HH2 1.0 1.8 4.89 113 105 A 6 ASN HBy A 12 TRP HZ3 1.0 1.8 4.06 114 106 A 28 TYR HD% A 6 ASN HBy 1.0 1.8 4.24 115 107 A 6 ASN HBy A 28 TYR HE% 1.0 1.8 5.10 116 108 A 6 ASN HBy A 7 ALA H 1.0 1.8 5.27 117 109 A 6 ASN HBy A 8 HIS H 1.0 1.8 4.72 118 110 A 6 ASN HBy A 9 CYS H 1.0 1.8 4.64 119 111 A 6 ASN HBx A 12 TRP HH2 1.0 1.8 4.48 120 112 A 6 ASN HBx A 12 TRP HZ3 1.0 1.8 3.76 121 113 A 6 ASN HBx A 6 ASN HD21 1.0 1.8 3.58 122 113 A 6 ASN HBx A 6 ASN HD22 1.0 1.8 3.58 123 114 A 6 ASN HBx A 8 HIS H 1.0 1.8 4.15 124 115 A 6 ASN HBx A 9 CYS H 1.0 1.8 4.97 125 116 A 6 ASN HBx A 9 CYS HA 1.0 1.8 4.36 126 117 A 12 TRP HH2 A 6 ASN HD21 1.0 1.8 4.33 127 118 A 12 TRP HZ3 A 6 ASN HD21 1.0 1.8 4.63 128 119 A 12 TRP HH2 A 6 ASN HD22 1.0 1.8 4.33 129 120 A 12 TRP HZ3 A 6 ASN HD22 1.0 1.8 4.63 130 121 A 12 TRP HH2 A 6 ASN HD21 1.0 1.8 3.71 131 121 A 12 TRP HH2 A 6 ASN HD22 1.0 1.8 3.71 132 122 A 12 TRP HZ3 A 6 ASN HD21 1.0 1.8 3.81 133 122 A 12 TRP HZ3 A 6 ASN HD22 1.0 1.8 3.81 134 123 A 7 ALA H A 8 HIS H 1.0 1.8 4.46 135 124 A 9 CYS H A 7 ALA HA 1.0 1.8 4.12 136 125 A 7 ALA HB% A 8 HIS HD2 1.0 1.8 3.78 137 126 A 8 HIS H A 8 HIS HBy 1.0 1.8 3.30 138 127 A 8 HIS H A 8 HIS HBx 1.0 1.8 3.80 139 128 A 8 HIS H A 8 HIS HD2 1.0 1.8 4.45 140 129 A 8 HIS H A 9 CYS H 1.0 1.8 3.35 141 130 A 8 HIS HA A 10 GLU H 1.0 1.8 4.30 142 131 A 8 HIS HA A 11 MET H 1.0 1.8 4.01 143 132 A 8 HIS HD2 A 8 HIS HA 1.0 1.8 3.84 144 133 A 9 CYS H A 8 HIS HA 1.0 1.8 3.53 145 134 A 8 HIS HBy A 12 TRP HD1 1.0 1.8 5.50 146 135 A 8 HIS HBy A 12 TRP HE3 1.0 1.8 5.48 147 136 A 12 TRP HH2 A 8 HIS HBy 1.0 1.8 4.65 148 137 A 8 HIS HBy A 12 TRP HZ2 1.0 1.8 5.50 149 138 A 9 CYS H A 8 HIS HBy 1.0 1.8 4.05 150 139 A 8 HIS HBx A 11 MET H 1.0 1.8 5.00 151 140 A 8 HIS HBx A 12 TRP H 1.0 1.8 5.09 152 141 A 8 HIS HBx A 12 TRP HD1 1.0 1.8 4.45 153 142 A 8 HIS HBx A 12 TRP HE3 1.0 1.8 5.50 154 143 A 12 TRP HH2 A 8 HIS HBx 1.0 1.8 5.32 155 144 A 8 HIS HBx A 12 TRP HZ2 1.0 1.8 4.83 156 145 A 8 HIS HD2 A 8 HIS HBx 1.0 1.8 3.91 157 146 A 9 CYS CB A 29 CYS SG 1.0 1.8 3.10 158 147 A 9 CYS H A 10 GLU H 1.0 1.8 3.53 159 148 A 9 CYS H A 10 GLU HB2 1.0 1.8 4.75 160 148 A 9 CYS H A 10 GLU HBy 1.0 1.8 4.75 161 149 A 32 ALA HB% A 9 CYS H 1.0 1.8 5.50 162 150 A 9 CYS H A 9 CYS HBy 1.0 1.8 2.94 163 151 A 9 CYS HBx A 9 CYS H 1.0 1.8 3.62 164 152 A 9 CYS HA A 12 TRP H 1.0 1.8 4.03 165 153 A 9 CYS HA A 12 TRP HBy 1.0 1.8 4.63 166 154 A 9 CYS HA A 12 TRP HE3 1.0 1.8 3.08 167 155 A 12 TRP HZ3 A 9 CYS HA 1.0 1.8 4.27 168 156 A 9 CYS HA A 13 GLN H 1.0 1.8 4.28 169 157 A 9 CYS HA A 25 MET HE% 1.0 1.8 3.42 170 158 A 9 CYS HA A 29 CYS HBx 1.0 1.8 4.83 171 159 A 32 ALA HB% A 9 CYS HA 1.0 1.8 4.10 172 160 A 10 GLU H A 9 CYS HBy 1.0 1.8 2.96 173 161 A 9 CYS HBy A 10 GLU HB2 1.0 1.8 4.81 174 161 A 10 GLU HBy A 9 CYS HBy 1.0 1.8 4.81 175 162 A 9 CYS HBx A 10 GLU H 1.0 1.8 3.61 176 163 A 9 CYS HBx A 10 GLU HB2 1.0 1.8 4.56 177 163 A 9 CYS HBx A 10 GLU HBy 1.0 1.8 4.56 178 164 A 9 CYS HBx A 11 MET H 1.0 1.8 5.31 179 165 A 29 CYS HA A 9 CYS HBx 1.0 1.8 4.39 180 166 A 9 CYS HBx A 29 CYS HBx 1.0 1.8 4.30 181 167 A 32 ALA H A 9 CYS HBx 1.0 1.8 4.67 182 168 A 9 CYS SG A 29 CYS CB 1.0 1.8 3.10 183 169 A 29 CYS SG A 9 CYS SG 1.0 1.8 2.10 184 170 A 10 GLU H A 10 GLU HB2 1.0 1.8 2.60 185 170 A 10 GLU H A 10 GLU HBy 1.0 1.8 2.60 186 171 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.04 187 171 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.04 188 172 A 10 GLU H A 11 MET H 1.0 1.8 3.20 189 173 A 10 GLU H A 12 TRP H 1.0 1.8 4.47 190 174 A 10 GLU H A 13 GLN H 1.0 1.8 4.86 191 175 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.29 192 175 A 10 GLU HGy A 10 GLU HA 1.0 1.8 3.29 193 176 A 12 TRP H A 10 GLU HA 1.0 1.8 4.39 194 177 A 12 TRP HBy A 10 GLU HA 1.0 1.8 5.49 195 178 A 13 GLN H A 10 GLU HA 1.0 1.8 3.49 196 179 A 10 GLU HA A 13 GLN HBx 1.0 1.8 3.59 197 180 A 10 GLU HA A 14 GLN H 1.0 1.8 4.30 198 181 A 10 GLU HGy A 10 GLU HB2 1.0 1.8 2.46 199 181 A 10 GLU HB2 A 10 GLU HGx 1.0 1.8 2.46 200 182 A 14 GLN HE21 A 10 GLU HB2 1.0 1.8 4.77 201 183 A 10 GLU HBy A 10 GLU HGy 1.0 1.8 2.46 202 183 A 10 GLU HBy A 10 GLU HGx 1.0 1.8 2.46 203 184 A 10 GLU HBy A 14 GLN HE21 1.0 1.8 4.77 204 185 A 11 MET H A 10 GLU HB2 1.0 1.8 3.53 205 185 A 11 MET H A 10 GLU HBy 1.0 1.8 3.53 206 186 A 13 GLN H A 10 GLU HB2 1.0 1.8 5.34 207 186 A 10 GLU HBy A 13 GLN H 1.0 1.8 5.34 208 187 A 14 GLN HE21 A 10 GLU HB2 1.0 1.8 3.93 209 187 A 10 GLU HBy A 14 GLN HE21 1.0 1.8 3.93 210 188 A 14 GLN HE22 A 10 GLU HB2 1.0 1.8 3.88 211 188 A 10 GLU HBy A 14 GLN HE22 1.0 1.8 3.88 212 189 A 11 MET H A 10 GLU HGx 1.0 1.8 5.11 213 189 A 11 MET H A 10 GLU HGy 1.0 1.8 5.11 214 190 A 11 MET H A 11 MET HGy 1.0 1.8 4.30 215 190 A 11 MET H A 11 MET HGx 1.0 1.8 4.30 216 191 A 11 MET H A 12 TRP H 1.0 1.8 3.88 217 192 A 11 MET H A 13 GLN H 1.0 1.8 4.44 218 193 A 11 MET H A 14 GLN H 1.0 1.8 4.98 219 194 A 11 MET HA A 11 MET HGy 1.0 1.8 3.60 220 194 A 11 MET HGx A 11 MET HA 1.0 1.8 3.60 221 195 A 12 TRP HD1 A 11 MET HA 1.0 1.8 5.24 222 196 A 14 GLN H A 11 MET HA 1.0 1.8 4.54 223 197 A 14 GLN HE21 A 11 MET HA 1.0 1.8 4.75 224 198 A 14 GLN HE22 A 11 MET HA 1.0 1.8 5.50 225 199 A 11 MET HA A 15 LEU H 1.0 1.8 5.20 226 200 A 12 TRP H A 11 MET HBx 1.0 1.8 3.07 227 200 A 12 TRP H A 11 MET HBy 1.0 1.8 3.07 228 201 A 12 TRP HD1 A 11 MET HBx 1.0 1.8 3.64 229 201 A 12 TRP HD1 A 11 MET HBy 1.0 1.8 3.64 230 202 A 14 GLN HE22 A 11 MET HBx 1.0 1.8 5.34 231 202 A 14 GLN HE22 A 11 MET HBy 1.0 1.8 5.34 232 203 A 12 TRP H A 11 MET HGy 1.0 1.8 4.58 233 203 A 12 TRP H A 11 MET HGx 1.0 1.8 4.58 234 204 A 12 TRP H A 12 TRP HBy 1.0 1.8 3.84 235 205 A 12 TRP HD1 A 12 TRP H 1.0 1.8 4.03 236 206 A 12 TRP HE3 A 12 TRP H 1.0 1.8 5.50 237 207 A 12 TRP H A 13 GLN H 1.0 1.8 3.31 238 208 A 12 TRP H A 13 GLN HBx 1.0 1.8 4.66 239 209 A 12 TRP H A 14 GLN HE21 1.0 1.8 5.50 240 210 A 12 TRP H A 25 MET HE% 1.0 1.8 4.11 241 211 A 12 TRP HD1 A 12 TRP HA 1.0 1.8 2.70 242 212 A 12 TRP HE3 A 12 TRP HA 1.0 1.8 5.50 243 213 A 14 GLN H A 12 TRP HA 1.0 1.8 4.28 244 214 A 12 TRP HA A 17 HIS HD2 1.0 1.8 5.50 245 215 A 12 TRP HZ3 A 12 TRP HBy 1.0 1.8 5.32 246 216 A 12 TRP HBy A 13 GLN H 1.0 1.8 3.55 247 217 A 12 TRP HBy A 13 GLN HBx 1.0 1.8 4.65 248 218 A 12 TRP HBy A 17 HIS H 1.0 1.8 5.26 249 219 A 12 TRP HBy A 17 HIS HBy 1.0 1.8 4.01 250 220 A 12 TRP HBy A 17 HIS HBx 1.0 1.8 4.71 251 221 A 12 TRP HBy A 17 HIS HD2 1.0 1.8 5.47 252 222 A 12 TRP HBy A 25 MET HE% 1.0 1.8 2.99 253 223 A 13 GLN H A 12 TRP HBx 1.0 1.8 3.85 254 224 A 17 HIS H A 12 TRP HBx 1.0 1.8 4.29 255 225 A 25 MET HE% A 12 TRP HBx 1.0 1.8 3.14 256 226 A 12 TRP HD1 A 13 GLN H 1.0 1.8 5.50 257 227 A 12 TRP HE3 A 25 MET HE% 1.0 1.8 3.82 258 228 A 32 ALA HB% A 12 TRP HE3 1.0 1.8 5.44 259 229 A 28 TYR HE% A 12 TRP HH2 1.0 1.8 5.50 260 230 A 12 TRP HZ3 A 25 MET HE% 1.0 1.8 4.99 261 231 A 28 TYR HBy A 12 TRP HZ3 1.0 1.8 4.94 262 232 A 28 TYR HBx A 12 TRP HZ3 1.0 1.8 4.20 263 233 A 28 TYR HE% A 12 TRP HZ3 1.0 1.8 5.50 264 234 A 13 GLN H A 13 GLN HBy 1.0 1.8 3.75 265 235 A 13 GLN H A 13 GLN HBx 1.0 1.8 2.90 266 236 A 13 GLN H A 13 GLN HGy 1.0 1.8 3.54 267 237 A 13 GLN H A 13 GLN HGx 1.0 1.8 3.92 268 238 A 13 GLN H A 13 GLN HE21 1.0 1.8 5.34 269 238 A 13 GLN H A 13 GLN HE22 1.0 1.8 5.34 270 239 A 13 GLN H A 14 GLN H 1.0 1.8 3.06 271 240 A 13 GLN H A 14 GLN HA 1.0 1.8 5.20 272 241 A 13 GLN H A 14 GLN HBy 1.0 1.8 4.71 273 242 A 13 GLN H A 15 LEU H 1.0 1.8 4.39 274 243 A 13 GLN H A 17 HIS HBy 1.0 1.8 4.90 275 244 A 13 GLN H A 25 MET HE% 1.0 1.8 3.56 276 245 A 32 ALA HB% A 13 GLN H 1.0 1.8 3.97 277 246 A 13 GLN HGx A 13 GLN HA 1.0 1.8 3.78 278 247 A 13 GLN HA A 16 GLY H 1.0 1.8 5.50 279 248 A 17 HIS H A 13 GLN HA 1.0 1.8 4.82 280 249 A 17 HIS HBy A 13 GLN HA 1.0 1.8 4.24 281 250 A 13 GLN HA A 18 CYS H 1.0 1.8 3.66 282 251 A 25 MET HE% A 13 GLN HA 1.0 1.8 3.22 283 252 A 32 ALA HB% A 13 GLN HA 1.0 1.8 4.20 284 253 A 13 GLN HBy A 13 GLN HE21 1.0 1.8 4.69 285 254 A 13 GLN HBy A 13 GLN HE22 1.0 1.8 4.69 286 255 A 13 GLN HBy A 13 GLN HE21 1.0 1.8 4.11 287 255 A 13 GLN HBy A 13 GLN HE22 1.0 1.8 4.11 288 256 A 14 GLN H A 13 GLN HBy 1.0 1.8 4.59 289 257 A 13 GLN HBy A 18 CYS H 1.0 1.8 5.50 290 258 A 13 GLN HBx A 13 GLN HGx 1.0 1.8 2.72 291 259 A 25 MET HE% A 13 GLN HBx 1.0 1.8 3.29 292 260 A 32 ALA HB% A 13 GLN HBx 1.0 1.8 2.79 293 261 A 13 GLN HBx A 33 CYS H 1.0 1.8 5.50 294 262 A 13 GLN HGy A 13 GLN HE21 1.0 1.8 3.53 295 262 A 13 GLN HGy A 13 GLN HE22 1.0 1.8 3.53 296 263 A 13 GLN HGx A 13 GLN HE21 1.0 1.8 3.98 297 264 A 13 GLN HGx A 13 GLN HE22 1.0 1.8 3.98 298 265 A 13 GLN HGx A 13 GLN HE21 1.0 1.8 3.36 299 265 A 13 GLN HGx A 13 GLN HE22 1.0 1.8 3.36 300 266 A 14 GLN H A 13 GLN HGx 1.0 1.8 4.96 301 267 A 13 GLN HGx A 14 GLN HA 1.0 1.8 4.27 302 268 A 14 GLN HE21 A 13 GLN HGx 1.0 1.8 4.29 303 269 A 15 LEU H A 13 GLN HGx 1.0 1.8 5.28 304 270 A 13 GLN HGx A 16 GLY H 1.0 1.8 5.50 305 271 A 32 ALA HB% A 13 GLN HGx 1.0 1.8 3.85 306 272 A 14 GLN H A 13 GLN HE21 1.0 1.8 5.12 307 272 A 14 GLN H A 13 GLN HE22 1.0 1.8 5.12 308 273 A 14 GLN HA A 13 GLN HE21 1.0 1.8 4.22 309 273 A 14 GLN HA A 13 GLN HE22 1.0 1.8 4.22 310 274 A 14 GLN HE21 A 13 GLN HE21 1.0 1.8 5.34 311 274 A 14 GLN HE21 A 13 GLN HE22 1.0 1.8 5.34 312 275 A 32 ALA HB% A 13 GLN HE21 1.0 1.8 5.09 313 275 A 32 ALA HB% A 13 GLN HE22 1.0 1.8 5.09 314 276 A 14 GLN H A 14 GLN HBx 1.0 1.8 3.71 315 277 A 14 GLN H A 14 GLN HBy 1.0 1.8 2.97 316 278 A 14 GLN H A 14 GLN HGy 1.0 1.8 3.11 317 278 A 14 GLN H A 14 GLN HGx 1.0 1.8 3.11 318 279 A 14 GLN H A 15 LEU H 1.0 1.8 3.24 319 280 A 14 GLN H A 15 LEU HBy 1.0 1.8 4.95 320 281 A 14 GLN H A 15 LEU HD11 1.0 1.8 4.81 321 281 A 14 GLN H A 15 LEU HD2% 1.0 1.8 4.81 322 282 A 14 GLN H A 16 GLY H 1.0 1.8 4.36 323 283 A 32 ALA HB% A 14 GLN H 1.0 1.8 5.14 324 284 A 14 GLN HE21 A 14 GLN HA 1.0 1.8 4.81 325 285 A 15 LEU H A 14 GLN HBx 1.0 1.8 4.24 326 286 A 14 GLN HE21 A 14 GLN HBy 1.0 1.8 4.29 327 287 A 14 GLN HE22 A 14 GLN HBy 1.0 1.8 3.66 328 288 A 15 LEU H A 14 GLN HBy 1.0 1.8 4.04 329 289 A 14 GLN HBy A 16 GLY H 1.0 1.8 5.50 330 290 A 14 GLN HE21 A 15 LEU HD11 1.0 1.8 5.50 331 290 A 14 GLN HE21 A 15 LEU HD2% 1.0 1.8 5.50 332 291 A 15 LEU H A 14 GLN HGy 1.0 1.8 5.34 333 291 A 15 LEU H A 14 GLN HGx 1.0 1.8 5.34 334 292 A 16 GLY H A 14 GLN HGy 1.0 1.8 5.34 335 292 A 16 GLY H A 14 GLN HGx 1.0 1.8 5.34 336 293 A 15 LEU H A 15 LEU HBy 1.0 1.8 3.20 337 294 A 15 LEU H A 15 LEU HG 1.0 1.8 3.49 338 295 A 15 LEU H A 15 LEU HD11 1.0 1.8 3.51 339 295 A 15 LEU H A 15 LEU HD2% 1.0 1.8 3.51 340 296 A 15 LEU H A 16 GLY H 1.0 1.8 3.60 341 297 A 15 LEU H A 17 HIS H 1.0 1.8 5.50 342 298 A 15 LEU H A 17 HIS HBy 1.0 1.8 5.17 343 299 A 15 LEU H A 17 HIS HD2 1.0 1.8 4.00 344 300 A 15 LEU HBy A 15 LEU HG 1.0 1.8 2.70 345 301 A 16 GLY H A 15 LEU HBy 1.0 1.8 3.33 346 302 A 17 HIS H A 15 LEU HBy 1.0 1.8 4.13 347 303 A 17 HIS HD2 A 15 LEU HBy 1.0 1.8 3.24 348 304 A 16 GLY H A 15 LEU HBx 1.0 1.8 5.50 349 305 A 17 HIS H A 15 LEU HBx 1.0 1.8 4.50 350 306 A 17 HIS HD2 A 15 LEU HBx 1.0 1.8 3.22 351 307 A 16 GLY H A 15 LEU HD11 1.0 1.8 4.77 352 307 A 16 GLY H A 15 LEU HD2% 1.0 1.8 4.77 353 308 A 17 HIS H A 15 LEU HD11 1.0 1.8 5.22 354 308 A 17 HIS H A 15 LEU HD2% 1.0 1.8 5.22 355 309 A 17 HIS HD2 A 15 LEU HD11 1.0 1.8 3.66 356 309 A 17 HIS HD2 A 15 LEU HD2% 1.0 1.8 3.66 357 310 A 17 HIS H A 16 GLY H 1.0 1.8 3.15 358 311 A 17 HIS HBy A 16 GLY H 1.0 1.8 4.86 359 312 A 17 HIS HD2 A 16 GLY H 1.0 1.8 4.50 360 313 A 16 GLY H A 18 CYS H 1.0 1.8 4.57 361 314 A 18 CYS H A 16 GLY HAx 1.0 1.8 4.70 362 315 A 16 GLY HAx A 20 TYR HE% 1.0 1.8 5.50 363 316 A 17 HIS H A 17 HIS HBy 1.0 1.8 3.16 364 317 A 17 HIS HD2 A 17 HIS H 1.0 1.8 3.54 365 318 A 17 HIS H A 18 CYS H 1.0 1.8 3.60 366 319 A 17 HIS H A 19 GLN H 1.0 1.8 4.77 367 320 A 17 HIS H A 20 TYR HBy 1.0 1.8 5.13 368 321 A 25 MET HE% A 17 HIS H 1.0 1.8 5.16 369 322 A 17 HIS HD2 A 17 HIS HA 1.0 1.8 5.50 370 323 A 19 GLN H A 17 HIS HA 1.0 1.8 4.51 371 324 A 17 HIS HA A 20 TYR H 1.0 1.8 3.69 372 325 A 20 TYR HBy A 17 HIS HA 1.0 1.8 3.36 373 326 A 17 HIS HA A 20 TYR HBx 1.0 1.8 4.26 374 327 A 17 HIS HA A 21 SER H 1.0 1.8 3.59 375 328 A 17 HIS HA A 21 SER HBy 1.0 1.8 4.32 376 329 A 17 HIS HBy A 18 CYS H 1.0 1.8 4.15 377 330 A 17 HIS HBy A 21 SER H 1.0 1.8 5.50 378 331 A 17 HIS HBy A 21 SER HBy 1.0 1.8 5.50 379 332 A 17 HIS HBx A 18 CYS H 1.0 1.8 4.10 380 333 A 17 HIS HBx A 21 SER HBy 1.0 1.8 3.76 381 334 A 17 HIS HBx A 25 MET HGy 1.0 1.8 3.67 382 335 A 25 MET HE% A 17 HIS HBx 1.0 1.8 3.79 383 336 A 17 HIS HD2 A 18 CYS H 1.0 1.8 5.34 384 337 A 18 CYS CB A 33 CYS SG 1.0 1.8 3.10 385 338 A 18 CYS H A 18 CYS HB2 1.0 1.8 3.09 386 338 A 18 CYS H A 18 CYS HBy 1.0 1.8 3.09 387 339 A 18 CYS H A 19 GLN H 1.0 1.8 3.20 388 340 A 18 CYS H A 19 GLN HA 1.0 1.8 5.07 389 341 A 18 CYS H A 19 GLN HB2 1.0 1.8 4.72 390 342 A 18 CYS H A 19 GLN HBy 1.0 1.8 5.50 391 343 A 18 CYS H A 20 TYR H 1.0 1.8 4.29 392 344 A 18 CYS H A 20 TYR HBy 1.0 1.8 5.10 393 345 A 18 CYS H A 20 TYR HD% 1.0 1.8 5.50 394 346 A 18 CYS H A 25 MET HGy 1.0 1.8 4.64 395 347 A 25 MET HE% A 18 CYS H 1.0 1.8 4.06 396 348 A 18 CYS HA A 25 MET HBy 1.0 1.8 4.08 397 349 A 18 CYS HA A 25 MET HGx 1.0 1.8 3.83 398 350 A 19 GLN H A 18 CYS HB2 1.0 1.8 4.11 399 350 A 19 GLN H A 18 CYS HBy 1.0 1.8 4.11 400 351 A 18 CYS SG A 33 CYS CB 1.0 1.8 3.10 401 352 A 33 CYS SG A 18 CYS SG 1.0 1.8 2.10 402 353 A 19 GLN H A 19 GLN HB2 1.0 1.8 3.12 403 354 A 19 GLN H A 19 GLN HBy 1.0 1.8 3.30 404 355 A 19 GLN H A 19 GLN HG2 1.0 1.8 3.97 405 355 A 19 GLN H A 19 GLN HGy 1.0 1.8 3.97 406 356 A 19 GLN H A 20 TYR H 1.0 1.8 3.02 407 357 A 19 GLN H A 21 SER H 1.0 1.8 4.21 408 358 A 19 GLN HA A 19 GLN HG2 1.0 1.8 3.47 409 358 A 19 GLN HA A 19 GLN HGy 1.0 1.8 3.47 410 359 A 19 GLN HB2 A 19 GLN HE21 1.0 1.8 4.95 411 360 A 19 GLN HB2 A 19 GLN HE22 1.0 1.8 4.95 412 361 A 19 GLN HB2 A 19 GLN HE21 1.0 1.8 4.34 413 361 A 19 GLN HB2 A 19 GLN HE22 1.0 1.8 4.34 414 362 A 20 TYR H A 19 GLN HB2 1.0 1.8 5.50 415 363 A 20 TYR HD% A 19 GLN HB2 1.0 1.8 5.07 416 364 A 20 TYR HE% A 19 GLN HB2 1.0 1.8 5.50 417 365 A 19 GLN HBy A 19 GLN HE21 1.0 1.8 4.26 418 365 A 19 GLN HBy A 19 GLN HE22 1.0 1.8 4.26 419 366 A 20 TYR HD% A 19 GLN HBy 1.0 1.8 3.65 420 367 A 21 SER H A 19 GLN HBy 1.0 1.8 5.50 421 368 A 20 TYR HE% A 19 GLN HE21 1.0 1.8 3.99 422 368 A 20 TYR HE% A 19 GLN HE22 1.0 1.8 3.99 423 369 A 19 GLN HGy A 19 GLN HE21 1.0 1.8 3.22 424 369 A 19 GLN HE21 A 19 GLN HG2 1.0 1.8 3.22 425 369 A 19 GLN HGy A 19 GLN HE22 1.0 1.8 3.22 426 369 A 19 GLN HE22 A 19 GLN HG2 1.0 1.8 3.22 427 370 A 20 TYR HE% A 19 GLN HG2 1.0 1.8 5.50 428 370 A 20 TYR HE% A 19 GLN HGy 1.0 1.8 5.50 429 371 A 20 TYR HBy A 20 TYR H 1.0 1.8 3.26 430 372 A 20 TYR HD% A 20 TYR H 1.0 1.8 4.18 431 373 A 20 TYR H A 21 SER H 1.0 1.8 3.27 432 374 A 20 TYR H A 21 SER HBx 1.0 1.8 5.50 433 375 A 20 TYR H A 21 SER HBy 1.0 1.8 5.50 434 376 A 20 TYR H A 22 PRO HDy 1.0 1.8 5.35 435 376 A 20 TYR H A 22 PRO HDx 1.0 1.8 5.35 436 377 A 20 TYR HD% A 20 TYR HA 1.0 1.8 5.50 437 378 A 20 TYR HE% A 20 TYR HA 1.0 1.8 4.72 438 379 A 22 PRO HDx A 20 TYR HA 1.0 1.8 5.04 439 380 A 20 TYR HA A 22 PRO HDy 1.0 1.8 5.04 440 381 A 20 TYR HA A 22 PRO HDy 1.0 1.8 4.26 441 381 A 22 PRO HDx A 20 TYR HA 1.0 1.8 4.26 442 382 A 20 TYR HBy A 21 SER H 1.0 1.8 3.70 443 383 A 20 TYR HBx A 21 SER H 1.0 1.8 4.27 444 384 A 20 TYR HD% A 21 SER H 1.0 1.8 4.50 445 385 A 20 TYR HD% A 21 SER HBx 1.0 1.8 5.50 446 386 A 21 SER H A 21 SER HBx 1.0 1.8 3.71 447 387 A 21 SER H A 21 SER HBy 1.0 1.8 3.55 448 388 A 21 SER H A 22 PRO HDx 1.0 1.8 4.14 449 389 A 21 SER H A 22 PRO HDy 1.0 1.8 4.14 450 390 A 21 SER H A 22 PRO HDy 1.0 1.8 3.60 451 390 A 21 SER H A 22 PRO HDx 1.0 1.8 3.60 452 391 A 21 SER H A 22 PRO HG2 1.0 1.8 4.90 453 391 A 21 SER H A 22 PRO HGy 1.0 1.8 4.90 454 392 A 21 SER H A 25 MET HGy 1.0 1.8 4.56 455 393 A 22 PRO HDx A 21 SER HA 1.0 1.8 3.47 456 394 A 21 SER HA A 22 PRO HDy 1.0 1.8 3.47 457 395 A 21 SER HA A 22 PRO HBy 1.0 1.8 5.23 458 395 A 21 SER HA A 22 PRO HBx 1.0 1.8 5.23 459 396 A 21 SER HA A 22 PRO HDy 1.0 1.8 2.80 460 396 A 22 PRO HDx A 21 SER HA 1.0 1.8 2.80 461 397 A 21 SER HA A 22 PRO HG2 1.0 1.8 4.26 462 397 A 22 PRO HGy A 21 SER HA 1.0 1.8 4.26 463 398 A 21 SER HA A 23 LYS H 1.0 1.8 4.30 464 399 A 21 SER HBx A 22 PRO HDy 1.0 1.8 4.66 465 399 A 21 SER HBx A 22 PRO HDx 1.0 1.8 4.66 466 400 A 21 SER HBx A 24 TYR HE% 1.0 1.8 5.20 467 401 A 21 SER HBy A 24 TYR HD% 1.0 1.8 4.33 468 402 A 21 SER HBy A 25 MET HGy 1.0 1.8 5.01 469 403 A 22 PRO HA A 24 TYR H 1.0 1.8 5.50 470 404 A 24 TYR HD% A 22 PRO HA 1.0 1.8 5.50 471 405 A 22 PRO HA A 25 MET H 1.0 1.8 3.86 472 406 A 22 PRO HA A 26 GLY H 1.0 1.8 5.50 473 407 A 22 PRO HA A 26 GLY HA2 1.0 1.8 5.50 474 408 A 22 PRO HDx A 23 LYS H 1.0 1.8 4.29 475 409 A 23 LYS H A 22 PRO HDy 1.0 1.8 4.29 476 410 A 23 LYS H A 22 PRO HDy 1.0 1.8 3.70 477 410 A 22 PRO HDx A 23 LYS H 1.0 1.8 3.70 478 411 A 23 LYS H A 22 PRO HG2 1.0 1.8 3.29 479 411 A 22 PRO HGy A 23 LYS H 1.0 1.8 3.29 480 412 A 23 LYS H A 23 LYS HGx 1.0 1.8 4.68 481 413 A 23 LYS H A 23 LYS HGy 1.0 1.8 4.68 482 414 A 23 LYS H A 23 LYS HB2 1.0 1.8 3.02 483 414 A 23 LYS H A 23 LYS HBy 1.0 1.8 3.02 484 415 A 23 LYS H A 23 LYS HD2 1.0 1.8 4.62 485 415 A 23 LYS H A 23 LYS HDy 1.0 1.8 4.62 486 416 A 23 LYS H A 23 LYS HGy 1.0 1.8 4.03 487 416 A 23 LYS H A 23 LYS HGx 1.0 1.8 4.03 488 417 A 23 LYS HA A 23 LYS HD2 1.0 1.8 4.16 489 417 A 23 LYS HDy A 23 LYS HA 1.0 1.8 4.16 490 418 A 23 LYS HA A 23 LYS HEx 1.0 1.8 4.98 491 418 A 23 LYS HA A 23 LYS HEy 1.0 1.8 4.98 492 419 A 23 LYS HA A 23 LYS HGy 1.0 1.8 3.56 493 419 A 23 LYS HGx A 23 LYS HA 1.0 1.8 3.56 494 420 A 23 LYS HB2 A 23 LYS HEx 1.0 1.8 4.32 495 420 A 23 LYS HBy A 23 LYS HEx 1.0 1.8 4.32 496 420 A 23 LYS HEy A 23 LYS HB2 1.0 1.8 4.32 497 420 A 23 LYS HBy A 23 LYS HEy 1.0 1.8 4.32 498 421 A 24 TYR H A 23 LYS HB2 1.0 1.8 3.28 499 421 A 24 TYR H A 23 LYS HBy 1.0 1.8 3.28 500 422 A 24 TYR HD% A 23 LYS HB2 1.0 1.8 3.84 501 422 A 24 TYR HD% A 23 LYS HBy 1.0 1.8 3.84 502 423 A 24 TYR HE% A 23 LYS HB2 1.0 1.8 4.53 503 423 A 24 TYR HE% A 23 LYS HBy 1.0 1.8 4.53 504 424 A 23 LYS HDy A 23 LYS HEx 1.0 1.8 2.92 505 424 A 23 LYS HD2 A 23 LYS HEx 1.0 1.8 2.92 506 424 A 23 LYS HEy A 23 LYS HD2 1.0 1.8 2.92 507 424 A 23 LYS HDy A 23 LYS HEy 1.0 1.8 2.92 508 425 A 24 TYR HD% A 23 LYS HD2 1.0 1.8 5.26 509 425 A 24 TYR HD% A 23 LYS HDy 1.0 1.8 5.26 510 426 A 24 TYR H A 23 LYS HGy 1.0 1.8 4.44 511 426 A 24 TYR H A 23 LYS HGx 1.0 1.8 4.44 512 427 A 24 TYR H A 24 TYR HBy 1.0 1.8 3.85 513 428 A 24 TYR HD% A 24 TYR H 1.0 1.8 5.50 514 429 A 24 TYR H A 25 MET H 1.0 1.8 3.07 515 430 A 24 TYR HD% A 24 TYR HA 1.0 1.8 4.64 516 431 A 24 TYR HE% A 24 TYR HA 1.0 1.8 4.89 517 432 A 27 HIS H A 24 TYR HA 1.0 1.8 5.50 518 433 A 24 TYR HA A 27 HIS HBx 1.0 1.8 4.05 519 434 A 25 MET H A 24 TYR HBx 1.0 1.8 3.41 520 435 A 24 TYR HD% A 25 MET H 1.0 1.8 4.14 521 436 A 25 MET H A 25 MET HBx 1.0 1.8 3.29 522 437 A 25 MET HBy A 25 MET H 1.0 1.8 3.64 523 438 A 25 MET HGx A 25 MET H 1.0 1.8 2.92 524 439 A 25 MET HGy A 25 MET H 1.0 1.8 3.79 525 440 A 25 MET HE% A 25 MET H 1.0 1.8 5.07 526 441 A 25 MET H A 26 GLY H 1.0 1.8 3.46 527 442 A 27 HIS H A 25 MET H 1.0 1.8 4.44 528 443 A 25 MET HE% A 25 MET HA 1.0 1.8 3.49 529 444 A 26 GLY HA2 A 25 MET HA 1.0 1.8 5.01 530 445 A 27 HIS H A 25 MET HA 1.0 1.8 5.50 531 446 A 28 TYR H A 25 MET HA 1.0 1.8 3.63 532 447 A 29 CYS H A 25 MET HA 1.0 1.8 3.46 533 448 A 29 CYS HBx A 25 MET HA 1.0 1.8 4.23 534 449 A 26 GLY H A 25 MET HBx 1.0 1.8 5.50 535 450 A 29 CYS HBx A 25 MET HBx 1.0 1.8 4.85 536 451 A 25 MET HBy A 26 GLY H 1.0 1.8 5.50 537 452 A 27 HIS H A 25 MET HBy 1.0 1.8 5.19 538 453 A 29 CYS H A 25 MET HBy 1.0 1.8 4.81 539 454 A 29 CYS HA A 25 MET HBy 1.0 1.8 5.50 540 455 A 25 MET HBy A 29 CYS HBy 1.0 1.8 4.84 541 456 A 29 CYS H A 25 MET HE% 1.0 1.8 4.60 542 457 A 29 CYS HA A 25 MET HE% 1.0 1.8 4.76 543 458 A 25 MET HE% A 29 CYS HBx 1.0 1.8 3.07 544 459 A 25 MET HE% A 29 CYS HBy 1.0 1.8 3.26 545 460 A 32 ALA H A 25 MET HE% 1.0 1.8 5.36 546 461 A 32 ALA HB% A 25 MET HE% 1.0 1.8 3.38 547 462 A 25 MET HE% A 33 CYS H 1.0 1.8 4.80 548 463 A 25 MET HE% A 33 CYS HBy 1.0 1.8 5.40 549 464 A 27 HIS H A 26 GLY H 1.0 1.8 3.34 550 465 A 26 GLY H A 27 HIS HA 1.0 1.8 5.26 551 466 A 26 GLY H A 27 HIS HBx 1.0 1.8 5.00 552 467 A 26 GLY H A 35 LEU HDx% 1.0 1.8 4.28 553 468 A 28 TYR H A 26 GLY HA2 1.0 1.8 4.66 554 469 A 29 CYS H A 26 GLY HA2 1.0 1.8 4.89 555 470 A 26 GLY HA2 A 30 LYS HA 1.0 1.8 3.78 556 471 A 30 LYS HBy A 26 GLY HA2 1.0 1.8 5.50 557 472 A 30 LYS HD2 A 26 GLY HA2 1.0 1.8 4.68 558 473 A 26 GLY HA2 A 33 CYS HBx 1.0 1.8 4.93 559 474 A 26 GLY HA2 A 33 CYS HBy 1.0 1.8 5.11 560 475 A 26 GLY HA2 A 35 LEU HBy 1.0 1.8 5.07 561 476 A 26 GLY HA2 A 35 LEU HBx 1.0 1.8 5.22 562 477 A 26 GLY HA2 A 35 LEU HG 1.0 1.8 5.11 563 478 A 26 GLY HA2 A 35 LEU HDx% 1.0 1.8 3.24 564 479 A 26 GLY HA2 A 35 LEU HDy% 1.0 1.8 4.57 565 480 A 27 HIS H A 27 HIS HBx 1.0 1.8 3.16 566 481 A 27 HIS H A 27 HIS HBy 1.0 1.8 3.10 567 482 A 28 TYR H A 27 HIS H 1.0 1.8 2.94 568 483 A 28 TYR HBy A 27 HIS H 1.0 1.8 4.27 569 484 A 28 TYR HD% A 27 HIS H 1.0 1.8 3.94 570 485 A 29 CYS H A 27 HIS H 1.0 1.8 4.25 571 486 A 27 HIS H A 30 LYS HEx 1.0 1.8 5.01 572 486 A 27 HIS H A 30 LYS HEy 1.0 1.8 5.01 573 487 A 27 HIS H A 35 LEU HDx% 1.0 1.8 4.77 574 488 A 27 HIS HD2 A 27 HIS HA 1.0 1.8 4.36 575 489 A 28 TYR HD% A 27 HIS HA 1.0 1.8 4.68 576 490 A 30 LYS HD2 A 27 HIS HA 1.0 1.8 4.96 577 491 A 27 HIS HA A 30 LYS HEx 1.0 1.8 3.96 578 491 A 27 HIS HA A 30 LYS HEy 1.0 1.8 3.96 579 492 A 28 TYR H A 27 HIS HBx 1.0 1.8 4.75 580 493 A 28 TYR HD% A 27 HIS HBx 1.0 1.8 4.24 581 494 A 27 HIS HD2 A 27 HIS HBy 1.0 1.8 3.72 582 495 A 28 TYR H A 27 HIS HBy 1.0 1.8 3.44 583 496 A 28 TYR HD% A 27 HIS HBy 1.0 1.8 3.07 584 497 A 28 TYR HE% A 27 HIS HBy 1.0 1.8 5.50 585 498 A 29 CYS H A 27 HIS HBy 1.0 1.8 5.50 586 499 A 28 TYR H A 27 HIS HD2 1.0 1.8 5.06 587 500 A 28 TYR HA A 27 HIS HD2 1.0 1.8 4.38 588 501 A 28 TYR HD% A 27 HIS HD2 1.0 1.8 3.77 589 502 A 28 TYR HBy A 28 TYR H 1.0 1.8 3.22 590 503 A 28 TYR H A 28 TYR HBx 1.0 1.8 3.70 591 504 A 28 TYR HD% A 28 TYR H 1.0 1.8 3.23 592 505 A 29 CYS H A 28 TYR H 1.0 1.8 3.21 593 506 A 30 LYS H A 28 TYR H 1.0 1.8 5.50 594 507 A 28 TYR H A 35 LEU HDx% 1.0 1.8 5.29 595 508 A 28 TYR HA A 28 TYR HD% 1.0 1.8 3.21 596 509 A 28 TYR HA A 28 TYR HE% 1.0 1.8 5.50 597 510 A 29 CYS H A 28 TYR HBy 1.0 1.8 3.86 598 511 A 29 CYS H A 28 TYR HD% 1.0 1.8 4.50 599 512 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.67 600 513 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.73 601 514 A 29 CYS H A 30 LYS HD2 1.0 1.8 5.44 602 515 A 29 CYS H A 32 ALA HB% 1.0 1.8 5.50 603 516 A 30 LYS H A 29 CYS HA 1.0 1.8 3.19 604 517 A 29 CYS HA A 30 LYS HBx 1.0 1.8 5.16 605 518 A 29 CYS HA A 30 LYS HD2 1.0 1.8 4.20 606 519 A 30 LYS HGy A 29 CYS HA 1.0 1.8 4.80 607 520 A 31 LYS H A 29 CYS HA 1.0 1.8 4.31 608 521 A 29 CYS HA A 31 LYS HBx 1.0 1.8 5.44 609 522 A 32 ALA H A 29 CYS HA 1.0 1.8 4.26 610 523 A 29 CYS HA A 32 ALA HB% 1.0 1.8 4.48 611 524 A 29 CYS HA A 33 CYS H 1.0 1.8 5.50 612 525 A 32 ALA H A 29 CYS HBx 1.0 1.8 4.14 613 526 A 32 ALA HB% A 29 CYS HBx 1.0 1.8 2.95 614 527 A 29 CYS HBy A 32 ALA HA 1.0 1.8 5.50 615 528 A 33 CYS H A 29 CYS HBy 1.0 1.8 5.50 616 529 A 30 LYS H A 30 LYS HBx 1.0 1.8 2.86 617 530 A 30 LYS H A 30 LYS HBy 1.0 1.8 3.68 618 531 A 30 LYS H A 30 LYS HD2 1.0 1.8 3.07 619 532 A 30 LYS H A 30 LYS HDy 1.0 1.8 3.83 620 533 A 30 LYS HGy A 30 LYS H 1.0 1.8 3.25 621 534 A 30 LYS H A 31 LYS H 1.0 1.8 3.27 622 535 A 30 LYS H A 32 ALA H 1.0 1.8 4.19 623 536 A 30 LYS H A 33 CYS H 1.0 1.8 4.89 624 537 A 30 LYS H A 35 LEU HDx% 1.0 1.8 4.58 625 538 A 30 LYS HD2 A 30 LYS HA 1.0 1.8 2.95 626 539 A 30 LYS HDy A 30 LYS HA 1.0 1.8 4.15 627 540 A 30 LYS HA A 30 LYS HEx 1.0 1.8 3.77 628 540 A 30 LYS HA A 30 LYS HEy 1.0 1.8 3.77 629 541 A 33 CYS H A 30 LYS HA 1.0 1.8 3.99 630 542 A 33 CYS HBy A 30 LYS HA 1.0 1.8 4.04 631 543 A 30 LYS HA A 35 LEU H 1.0 1.8 4.54 632 544 A 30 LYS HA A 35 LEU HA 1.0 1.8 5.50 633 545 A 30 LYS HA A 35 LEU HG 1.0 1.8 4.22 634 546 A 35 LEU HDx% A 30 LYS HA 1.0 1.8 3.08 635 547 A 30 LYS HA A 35 LEU HDy% 1.0 1.8 4.36 636 548 A 30 LYS HGx A 30 LYS HBx 1.0 1.8 2.79 637 549 A 30 LYS HBy A 30 LYS HEx 1.0 1.8 3.75 638 549 A 30 LYS HBy A 30 LYS HEy 1.0 1.8 3.75 639 550 A 30 LYS HGy A 31 LYS H 1.0 1.8 4.08 640 551 A 35 LEU HBy A 30 LYS HEx 1.0 1.8 3.71 641 551 A 35 LEU HBy A 30 LYS HEy 1.0 1.8 3.71 642 552 A 35 LEU HBx A 30 LYS HEx 1.0 1.8 3.62 643 552 A 35 LEU HBx A 30 LYS HEy 1.0 1.8 3.62 644 553 A 31 LYS H A 31 LYS HBx 1.0 1.8 2.97 645 554 A 31 LYS H A 31 LYS HDx 1.0 1.8 3.83 646 555 A 31 LYS H A 31 LYS HDy 1.0 1.8 3.83 647 556 A 31 LYS H A 31 LYS HDx 1.0 1.8 3.28 648 556 A 31 LYS H A 31 LYS HDy 1.0 1.8 3.28 649 557 A 31 LYS H A 31 LYS HG2 1.0 1.8 4.60 650 557 A 31 LYS H A 31 LYS HGy 1.0 1.8 4.60 651 558 A 31 LYS H A 32 ALA H 1.0 1.8 2.96 652 559 A 31 LYS H A 32 ALA HA 1.0 1.8 5.32 653 560 A 31 LYS H A 32 ALA HB% 1.0 1.8 4.33 654 561 A 31 LYS H A 33 CYS H 1.0 1.8 4.16 655 562 A 31 LYS HA A 31 LYS HDx 1.0 1.8 4.07 656 562 A 31 LYS HA A 31 LYS HDy 1.0 1.8 4.07 657 563 A 31 LYS HA A 31 LYS HEx 1.0 1.8 4.90 658 563 A 31 LYS HA A 31 LYS HEy 1.0 1.8 4.90 659 564 A 31 LYS HA A 31 LYS HG2 1.0 1.8 3.00 660 564 A 31 LYS HA A 31 LYS HGy 1.0 1.8 3.00 661 565 A 31 LYS HA A 33 CYS H 1.0 1.8 4.01 662 566 A 31 LYS HA A 36 CYS H 1.0 1.8 5.23 663 567 A 31 LYS HA A 36 CYS HBy 1.0 1.8 4.55 664 567 A 36 CYS HBx A 31 LYS HA 1.0 1.8 4.55 665 568 A 31 LYS HBx A 31 LYS HDx 1.0 1.8 2.90 666 568 A 31 LYS HDy A 31 LYS HBx 1.0 1.8 2.90 667 569 A 31 LYS HBx A 31 LYS HEx 1.0 1.8 3.97 668 569 A 31 LYS HBx A 31 LYS HEy 1.0 1.8 3.97 669 570 A 32 ALA H A 31 LYS HBx 1.0 1.8 3.06 670 571 A 31 LYS HBx A 33 CYS H 1.0 1.8 4.98 671 572 A 31 LYS HBx A 36 CYS HBy 1.0 1.8 5.13 672 572 A 36 CYS HBx A 31 LYS HBx 1.0 1.8 5.13 673 573 A 32 ALA H A 31 LYS HBy 1.0 1.8 3.22 674 574 A 33 CYS H A 31 LYS HBy 1.0 1.8 5.08 675 575 A 32 ALA H A 31 LYS HDx 1.0 1.8 4.85 676 575 A 31 LYS HDy A 32 ALA H 1.0 1.8 4.85 677 576 A 31 LYS HEx A 31 LYS HG2 1.0 1.8 3.37 678 576 A 31 LYS HEy A 31 LYS HG2 1.0 1.8 3.37 679 576 A 31 LYS HGy A 31 LYS HEx 1.0 1.8 3.37 680 576 A 31 LYS HGy A 31 LYS HEy 1.0 1.8 3.37 681 577 A 36 CYS H A 31 LYS HG2 1.0 1.8 4.42 682 577 A 31 LYS HGy A 36 CYS H 1.0 1.8 4.42 683 578 A 32 ALA H A 32 ALA HB% 1.0 1.8 2.76 684 579 A 32 ALA H A 33 CYS H 1.0 1.8 3.40 685 580 A 33 CYS H A 32 ALA HA 1.0 1.8 3.54 686 581 A 32 ALA HB% A 33 CYS H 1.0 1.8 3.13 687 582 A 32 ALA HB% A 33 CYS HA 1.0 1.8 4.40 688 583 A 32 ALA HB% A 33 CYS HBx 1.0 1.8 4.51 689 584 A 33 CYS H A 33 CYS HBx 1.0 1.8 3.28 690 585 A 33 CYS H A 33 CYS HBy 1.0 1.8 3.18 691 586 A 33 CYS H A 35 LEU H 1.0 1.8 4.29 692 587 A 33 CYS H A 35 LEU HBy 1.0 1.8 4.74 693 588 A 33 CYS H A 35 LEU HG 1.0 1.8 4.38 694 589 A 33 CYS H A 35 LEU HDx% 1.0 1.8 4.83 695 590 A 33 CYS H A 35 LEU HDy% 1.0 1.8 5.50 696 591 A 33 CYS HBx A 34 GLY H 1.0 1.8 4.35 697 592 A 33 CYS HBx A 35 LEU H 1.0 1.8 4.35 698 593 A 33 CYS HBx A 35 LEU HG 1.0 1.8 3.68 699 594 A 35 LEU HDx% A 33 CYS HBx 1.0 1.8 4.01 700 595 A 33 CYS HBx A 35 LEU HDy% 1.0 1.8 4.46 701 596 A 33 CYS HBy A 34 GLY H 1.0 1.8 4.09 702 597 A 33 CYS HBy A 34 GLY HA2 1.0 1.8 4.82 703 598 A 33 CYS HBy A 35 LEU H 1.0 1.8 4.13 704 599 A 33 CYS HBy A 35 LEU HBy 1.0 1.8 4.74 705 600 A 33 CYS HBy A 35 LEU HG 1.0 1.8 3.63 706 601 A 33 CYS HBy A 35 LEU HDx% 1.0 1.8 3.51 707 602 A 33 CYS HBy A 35 LEU HDy% 1.0 1.8 4.11 708 603 A 35 LEU H A 34 GLY H 1.0 1.8 3.29 709 604 A 35 LEU HA A 34 GLY H 1.0 1.8 5.09 710 605 A 35 LEU HBy A 34 GLY H 1.0 1.8 5.34 711 606 A 35 LEU HG A 34 GLY H 1.0 1.8 4.21 712 607 A 35 LEU HDx% A 34 GLY H 1.0 1.8 5.11 713 608 A 35 LEU HDy% A 34 GLY H 1.0 1.8 4.96 714 609 A 35 LEU H A 34 GLY HA2 1.0 1.8 3.11 715 610 A 35 LEU HBy A 35 LEU H 1.0 1.8 3.07 716 611 A 35 LEU HBx A 35 LEU H 1.0 1.8 3.80 717 612 A 35 LEU HG A 35 LEU H 1.0 1.8 3.09 718 613 A 35 LEU HDx% A 35 LEU H 1.0 1.8 4.13 719 614 A 35 LEU HDy% A 35 LEU H 1.0 1.8 3.67 720 615 A 35 LEU H A 36 CYS H 1.0 1.8 2.85 721 616 A 35 LEU HG A 35 LEU HA 1.0 1.8 3.69 722 617 A 35 LEU HDx% A 35 LEU HA 1.0 1.8 3.85 723 618 A 35 LEU HDy% A 35 LEU HA 1.0 1.8 2.63 724 619 A 35 LEU HDx% A 35 LEU HBy 1.0 1.8 2.96 725 620 A 35 LEU HBy A 35 LEU HDy% 1.0 1.8 3.43 726 621 A 35 LEU HBy A 36 CYS H 1.0 1.8 4.77 727 622 A 35 LEU HDx% A 35 LEU HBx 1.0 1.8 2.98 728 623 A 35 LEU HBx A 35 LEU HDy% 1.0 1.8 3.00 729 624 A 35 LEU HBx A 36 CYS H 1.0 1.8 4.00 730 625 A 35 LEU HG A 36 CYS H 1.0 1.8 4.13 731 626 A 35 LEU HDx% A 36 CYS H 1.0 1.8 5.50 732 627 A 35 LEU HDy% A 36 CYS H 1.0 1.8 4.58 733 628 A 36 CYS HBx A 36 CYS H 1.0 1.8 3.57 734 629 A 36 CYS H A 36 CYS HBy 1.0 1.8 3.57 735 630 A 36 CYS H A 36 CYS HBy 1.0 1.8 3.06 736 630 A 36 CYS HBx A 36 CYS H 1.0 1.8 3.06 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 hbond _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 12 TRP H A 8 HIS O 1.0 1.8 2.0 2 2 A 8 HIS O A 12 TRP N 1.0 1.8 3.0 3 3 A 13 GLN H A 9 CYS O 1.0 1.8 2.0 4 4 A 9 CYS O A 13 GLN N 1.0 1.8 3.0 5 5 A 14 GLN H A 10 GLU O 1.0 1.8 2.0 6 6 A 10 GLU O A 14 GLN N 1.0 1.8 3.0 7 7 A 16 GLY H A 13 GLN O 1.0 1.8 2.0 8 8 A 13 GLN O A 16 GLY N 1.0 1.8 3.0 9 9 A 17 HIS H A 12 TRP O 1.0 1.8 2.0 10 10 A 12 TRP O A 17 HIS N 1.0 1.8 3.0 11 11 A 20 TYR H A 16 GLY O 1.0 1.8 2.0 12 12 A 16 GLY O A 20 TYR N 1.0 1.8 3.0 13 13 A 21 SER H A 17 HIS O 1.0 1.8 2.0 14 14 A 17 HIS O A 21 SER N 1.0 1.8 3.0 15 15 A 26 GLY H A 22 PRO O 1.0 1.8 2.0 16 16 A 22 PRO O A 26 GLY N 1.0 1.8 3.0 17 17 A 28 TYR H A 25 MET O 1.0 1.8 2.0 18 18 A 25 MET O A 28 TYR N 1.0 1.8 3.0 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 1 VAL C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -149.9 -103.1 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 GLU N 1.0 127.7 167.7 PSI 3 3 A 2 CYS C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -161.6 -81.6 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 ASP N 1.0 118.7 158.7 PSI 5 5 A 5 LEU C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -100.8 -60.8 PHI 6 6 A 6 ASN N A 6 ASN CA A 6 ASN C A 7 ALA N 1.0 92.9 144.7 PSI 7 7 A 6 ASN C A 7 ALA N A 7 ALA CA A 7 ALA C 1.0 -79.9 -39.9 PHI 8 8 A 7 ALA N A 7 ALA CA A 7 ALA C A 8 HIS N 1.0 -51.9 -11.9 PSI 9 9 A 8 HIS C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -139.6 -43.8 PHI 10 10 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLU N 1.0 -62.1 19.5 PSI 11 11 A 9 CYS C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -82.9 -42.9 PHI 12 12 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 MET N 1.0 -59.5 -19.5 PSI 13 13 A 10 GLU C A 11 MET N A 11 MET CA A 11 MET C 1.0 -86.8 -46.8 PHI 14 14 A 11 MET N A 11 MET CA A 11 MET C A 12 TRP N 1.0 -61.5 -21.5 PSI 15 15 A 11 MET C A 12 TRP N A 12 TRP CA A 12 TRP C 1.0 -87.4 -47.4 PHI 16 16 A 12 TRP N A 12 TRP CA A 12 TRP C A 13 GLN N 1.0 -57.9 -17.9 PSI 17 17 A 12 TRP C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -83.9 -43.9 PHI 18 18 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 GLN N 1.0 -57.9 -17.9 PSI 19 19 A 13 GLN C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -85.7 -45.7 PHI 20 20 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 LEU N 1.0 -47.2 -7.2 PSI 21 21 A 14 GLN C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -107.8 -67.8 PHI 22 22 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 GLY N 1.0 -26.2 16.2 PSI 23 23 A 15 LEU C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 59.1 99.1 PHI 24 24 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 HIS N 1.0 -0.2 39.8 PSI 25 25 A 17 HIS C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -106.5 -45.5 PHI 26 26 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 GLN N 1.0 -39.2 9.0 PSI 27 27 A 18 CYS C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -95.3 -48.5 PHI 28 28 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 TYR N 1.0 -45.8 3.2 PSI 29 29 A 20 TYR C A 21 SER N A 21 SER CA A 21 SER C 1.0 -139.5 -46.5 PHI 30 30 A 21 SER N A 21 SER CA A 21 SER C A 22 PRO N 1.0 70.6 188.0 PSI 31 31 A 22 PRO C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -86.7 -46.7 PHI 32 32 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 TYR N 1.0 -46.2 -2.4 PSI 33 33 A 23 LYS C A 24 TYR N A 24 TYR CA A 24 TYR C 1.0 -130.0 -90.0 PHI 34 34 A 24 TYR N A 24 TYR CA A 24 TYR C A 25 MET N 1.0 -18.4 29.4 PSI 35 35 A 24 TYR C A 25 MET N A 25 MET CA A 25 MET C 1.0 -82.2 -42.2 PHI 36 36 A 25 MET N A 25 MET CA A 25 MET C A 26 GLY N 1.0 -58.2 -18.2 PSI 37 37 A 25 MET C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 -85.0 -45.0 PHI 38 38 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 HIS N 1.0 -48.6 -8.6 PSI 39 39 A 26 GLY C A 27 HIS N A 27 HIS CA A 27 HIS C 1.0 -112.5 -63.1 PHI 40 40 A 27 HIS N A 27 HIS CA A 27 HIS C A 28 TYR N 1.0 -41.0 11.8 PSI 41 41 A 28 TYR C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -170.5 -87.9 PHI 42 42 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 LYS N 1.0 114.9 192.9 PSI 43 43 A 29 CYS C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -86.2 -46.2 PHI 44 44 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 LYS N 1.0 -53.4 -13.4 PSI 45 45 A 31 LYS C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -90.8 -50.8 PHI 46 46 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 CYS N 1.0 -48.2 -8.2 PSI 47 47 A 7 ALA C A 8 HIS N A 8 HIS CA A 8 HIS C 1.0 -100.2 -40.2 PHI 48 48 A 8 HIS N A 8 HIS CA A 8 HIS C A 9 CYS N 1.0 -64.7 19.1 PSI 49 49 A 32 ALA C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -186.3 -108.7 PHI 50 50 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 GLY N 1.0 125.4 185.4 PSI stop_ save_