data_nef_c30352_6ba3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6BA3 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 23 CYS SG 1 37 CYS SG 1 30 CYS SG 1 49 CYS SG 1 36 CYS SG 1 64 CYS SG 1 67 CYS SG 1 74 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 SER start . . 2 A 2 ASN middle . . 3 A 3 ARG middle . . 4 A 4 TRP middle . . 5 A 5 ASN middle . . 6 A 6 LEU middle . . 7 A 7 GLY middle . false 8 A 8 TYR middle . . 9 A 9 GLY middle . false 10 A 10 ILE middle . . 11 A 11 PRO middle . false 12 A 12 HIS middle . . 13 A 13 LYS middle . . 14 A 14 GLN middle . . 15 A 15 VAL middle . . 16 A 16 LYS middle . . 17 A 17 LEU middle . . 18 A 18 PRO middle . false 19 A 19 ASN middle . . 20 A 20 GLY middle . false 21 A 21 GLN middle . . 22 A 22 LEU middle . . 23 A 23 CYS middle -HG . 24 A 24 LYS middle . . 25 A 25 GLU middle . . 26 A 26 PRO middle . false 27 A 27 GLY middle . false 28 A 28 ASP middle . . 29 A 29 SER middle . . 30 A 30 CYS middle -HG . 31 A 31 SER middle . . 32 A 32 LYS middle . . 33 A 33 ARG middle . . 34 A 34 ASP middle . . 35 A 35 GLU middle . . 36 A 36 CYS middle -HG . 37 A 37 CYS middle -HG . 38 A 38 LYS middle . . 39 A 39 ALA middle . . 40 A 40 ASP middle . . 41 A 41 ASP middle . . 42 A 42 GLN middle . . 43 A 43 LYS middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 SER middle . . 47 A 47 SER middle . . 48 A 48 GLY middle . false 49 A 49 CYS middle -HG . 50 A 50 ALA middle . . 51 A 51 GLN middle . . 52 A 52 THR middle . . 53 A 53 TRP middle . . 54 A 54 SER middle . . 55 A 55 ALA middle . . 56 A 56 MET middle . . 57 A 57 GLU middle . . 58 A 58 GLY middle . false 59 A 59 GLY middle . false 60 A 60 PHE middle . . 61 A 61 VAL middle . . 62 A 62 ARG middle . . 63 A 63 GLU middle . . 64 A 64 CYS middle -HG . 65 A 65 TYR middle . . 66 A 66 ILE middle . . 67 A 67 CYS middle -HG . 68 A 68 ALA middle . . 69 A 69 VAL middle . . 70 A 70 GLU middle . . 71 A 71 SER middle . . 72 A 72 SER middle . . 73 A 73 MET middle . . 74 A 74 CYS end -HG . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 SER HA H 1 4.160 0.000 A 1 SER HBx H 1 3.895 0.000 A 1 SER HBy H 1 3.895 0.000 A 1 SER C C 13 170.660 0.000 A 1 SER CA C 13 57.236 0.000 A 1 SER CB C 13 63.331 0.000 A 2 ASN H H 1 8.868 0.003 A 2 ASN HA H 1 4.764 0.000 A 2 ASN HBy H 1 2.879 0.001 A 2 ASN HBx H 1 2.828 0.003 A 2 ASN HD2x H 1 7.020 0.000 A 2 ASN HD2y H 1 7.585 0.000 A 2 ASN C C 13 176.137 0.000 A 2 ASN CA C 13 52.922 0.000 A 2 ASN CB C 13 39.273 0.004 A 2 ASN N N 15 120.324 0.074 A 2 ASN ND2 N 15 112.916 0.004 A 3 ARG H H 1 8.444 0.003 A 3 ARG HA H 1 3.792 0.000 A 3 ARG HBx H 1 1.389 0.000 A 3 ARG HBy H 1 1.460 0.000 A 3 ARG C C 13 176.997 0.000 A 3 ARG CA C 13 58.600 0.000 A 3 ARG CB C 13 29.270 0.004 A 3 ARG N N 15 118.870 0.009 A 4 TRP H H 1 8.015 0.001 A 4 TRP HA H 1 4.350 0.000 A 4 TRP HBy H 1 3.384 0.000 A 4 TRP HBx H 1 3.252 0.000 A 4 TRP HD1 H 1 7.245 0.001 A 4 TRP HE1 H 1 10.162 0.000 A 4 TRP HE3 H 1 7.640 0.001 A 4 TRP HH2 H 1 7.215 0.001 A 4 TRP HZ2 H 1 7.450 0.001 A 4 TRP HZ3 H 1 7.083 0.001 A 4 TRP C C 13 179.170 0.000 A 4 TRP CA C 13 60.088 0.000 A 4 TRP CB C 13 28.247 0.001 A 4 TRP CD1 C 13 127.540 0.019 A 4 TRP CE3 C 13 120.748 0.010 A 4 TRP CH2 C 13 125.022 0.001 A 4 TRP CZ2 C 13 114.833 0.007 A 4 TRP CZ3 C 13 122.318 0.082 A 4 TRP N N 15 122.139 0.029 A 4 TRP NE1 N 15 129.405 0.000 A 5 ASN H H 1 8.142 0.002 A 5 ASN HA H 1 4.649 0.000 A 5 ASN HBy H 1 2.935 0.000 A 5 ASN HBx H 1 2.787 0.000 A 5 ASN HD2x H 1 6.972 0.000 A 5 ASN HD2y H 1 7.683 0.000 A 5 ASN C C 13 175.412 0.000 A 5 ASN CA C 13 54.982 0.000 A 5 ASN CB C 13 38.428 0.001 A 5 ASN N N 15 119.554 0.010 A 5 ASN ND2 N 15 111.574 0.007 A 6 LEU H H 1 7.315 0.004 A 6 LEU HA H 1 4.388 0.000 A 6 LEU HBy H 1 2.071 0.000 A 6 LEU HBx H 1 1.468 0.004 A 6 LEU HDx% H 1 0.706 0.000 A 6 LEU HG H 1 0.794 0.000 A 6 LEU C C 13 176.011 0.000 A 6 LEU CA C 13 54.795 0.000 A 6 LEU CB C 13 42.019 0.005 A 6 LEU CD1 C 13 22.950 0.001 A 6 LEU CG C 13 26.662 0.001 A 6 LEU N N 15 118.238 0.002 A 7 GLY H H 1 7.593 0.002 A 7 GLY HAy H 1 4.699 0.000 A 7 GLY HAx H 1 3.670 0.000 A 7 GLY C C 13 175.513 0.000 A 7 GLY CA C 13 46.281 0.000 A 7 GLY N N 15 105.064 0.000 A 8 TYR H H 1 7.680 0.001 A 8 TYR HA H 1 3.337 0.003 A 8 TYR HBx H 1 2.512 0.000 A 8 TYR HBy H 1 2.512 0.000 A 8 TYR HD1 H 1 6.323 0.000 A 8 TYR HD2 H 1 6.323 0.000 A 8 TYR HE1 H 1 6.585 0.002 A 8 TYR HE2 H 1 6.585 0.002 A 8 TYR C C 13 175.220 0.000 A 8 TYR CA C 13 61.930 0.001 A 8 TYR CB C 13 39.607 0.000 A 8 TYR CD2 C 13 132.466 0.000 A 8 TYR CE2 C 13 118.290 0.000 A 8 TYR N N 15 118.102 0.005 A 9 GLY H H 1 8.774 0.002 A 9 GLY HAy H 1 3.825 0.000 A 9 GLY HAx H 1 3.588 0.000 A 9 GLY C C 13 174.536 0.000 A 9 GLY CA C 13 44.922 0.000 A 9 GLY N N 15 102.441 0.001 A 10 ILE H H 1 7.555 0.002 A 10 ILE HA H 1 3.953 0.019 A 10 ILE HB H 1 1.602 0.001 A 10 ILE HD1% H 1 0.509 0.001 A 10 ILE HG1y H 1 1.153 0.000 A 10 ILE HG1x H 1 0.718 0.000 A 10 ILE HG2% H 1 -0.128 0.000 A 10 ILE CA C 13 58.758 0.000 A 10 ILE CB C 13 37.278 0.046 A 10 ILE CD1 C 13 12.680 0.012 A 10 ILE CG1 C 13 27.837 0.100 A 10 ILE CG2 C 13 15.470 0.000 A 10 ILE N N 15 126.328 0.002 A 11 PRO HA H 1 4.089 0.004 A 11 PRO HBx H 1 1.764 0.000 A 11 PRO HBy H 1 2.132 0.000 A 11 PRO HDx H 1 3.333 0.001 A 11 PRO HDy H 1 3.995 0.007 A 11 PRO HGy H 1 2.043 0.000 A 11 PRO HGx H 1 1.852 0.000 A 11 PRO C C 13 176.109 0.000 A 11 PRO CA C 13 64.428 0.000 A 11 PRO CB C 13 31.925 0.024 A 11 PRO CD C 13 51.442 0.056 A 11 PRO CG C 13 27.620 0.000 A 12 HIS H H 1 8.210 0.003 A 12 HIS HA H 1 4.716 0.000 A 12 HIS HBx H 1 2.646 0.000 A 12 HIS HBy H 1 2.724 0.000 A 12 HIS HD2 H 1 6.318 0.000 A 12 HIS HE1 H 1 8.194 0.000 A 12 HIS CA C 13 54.779 0.000 A 12 HIS CB C 13 30.542 0.000 A 12 HIS CD2 C 13 119.012 0.000 A 12 HIS CE1 C 13 136.673 0.000 A 12 HIS N N 15 120.049 0.005 A 13 LYS H H 1 8.347 0.003 A 13 LYS HA H 1 4.294 0.001 A 13 LYS HBx H 1 1.576 0.000 A 13 LYS HBy H 1 1.576 0.000 A 13 LYS C C 13 175.764 0.000 A 13 LYS CA C 13 55.019 0.000 A 13 LYS CB C 13 34.380 0.000 A 13 LYS N N 15 120.944 0.003 A 14 GLN H H 1 8.708 0.003 A 14 GLN HA H 1 4.469 0.000 A 14 GLN HBy H 1 2.006 0.000 A 14 GLN HBx H 1 1.794 0.000 A 14 GLN HE2x H 1 6.853 0.007 A 14 GLN HE2y H 1 7.857 0.000 A 14 GLN HGx H 1 2.121 0.000 A 14 GLN HGy H 1 2.338 0.000 A 14 GLN C C 13 174.396 0.000 A 14 GLN CA C 13 56.197 0.000 A 14 GLN CB C 13 28.996 0.006 A 14 GLN CG C 13 34.764 0.013 A 14 GLN N N 15 124.765 0.001 A 14 GLN NE2 N 15 113.212 0.004 A 15 VAL H H 1 7.266 0.005 A 15 VAL HA H 1 4.458 0.003 A 15 VAL HB H 1 2.076 0.000 A 15 VAL HGx% H 1 0.764 0.000 A 15 VAL HGy% H 1 0.684 0.000 A 15 VAL C C 13 174.500 0.000 A 15 VAL CA C 13 59.072 0.000 A 15 VAL CB C 13 35.372 0.007 A 15 VAL CG1 C 13 21.583 0.000 A 15 VAL CG2 C 13 18.658 0.000 A 15 VAL N N 15 120.884 0.008 A 16 LYS H H 1 8.352 0.005 A 16 LYS HA H 1 4.307 0.006 A 16 LYS HBx H 1 1.563 0.000 A 16 LYS HBy H 1 1.563 0.000 A 16 LYS HDx H 1 1.466 0.000 A 16 LYS HEx H 1 2.854 0.000 A 16 LYS HEy H 1 2.854 0.000 A 16 LYS HGy H 1 1.299 0.000 A 16 LYS HGx H 1 1.185 0.000 A 16 LYS C C 13 177.067 0.000 A 16 LYS CA C 13 56.911 0.000 A 16 LYS CB C 13 33.418 0.031 A 16 LYS CD C 13 29.099 0.000 A 16 LYS CE C 13 41.995 0.000 A 16 LYS CG C 13 25.628 0.007 A 16 LYS N N 15 121.200 0.055 A 17 LEU H H 1 9.040 0.001 A 17 LEU HA H 1 4.424 0.000 A 17 LEU HBy H 1 1.968 0.009 A 17 LEU HBx H 1 1.427 0.000 A 17 LEU HDx% H 1 0.824 0.000 A 17 LEU HDy% H 1 0.822 0.000 A 17 LEU HG H 1 1.533 0.000 A 17 LEU CA C 13 53.577 0.000 A 17 LEU CB C 13 40.092 0.001 A 17 LEU CD1 C 13 25.816 0.000 A 17 LEU CD2 C 13 22.332 0.000 A 17 LEU CG C 13 27.397 0.001 A 17 LEU N N 15 125.304 0.001 A 18 PRO HA H 1 4.218 0.005 A 18 PRO HBy H 1 2.305 0.000 A 18 PRO HBx H 1 1.781 0.000 A 18 PRO HDy H 1 3.727 0.000 A 18 PRO HDx H 1 3.673 0.000 A 18 PRO HGy H 1 2.019 0.000 A 18 PRO HGx H 1 1.899 0.000 A 18 PRO C C 13 176.658 0.000 A 18 PRO CA C 13 65.499 0.000 A 18 PRO CB C 13 31.586 0.007 A 18 PRO CD C 13 50.595 0.000 A 18 PRO CG C 13 27.785 0.000 A 19 ASN H H 1 7.286 0.005 A 19 ASN HA H 1 4.446 0.000 A 19 ASN HBy H 1 3.127 0.000 A 19 ASN HBx H 1 2.674 0.000 A 19 ASN HD2x H 1 6.550 0.000 A 19 ASN HD2y H 1 7.188 0.000 A 19 ASN C C 13 176.706 0.000 A 19 ASN CA C 13 52.653 0.000 A 19 ASN CB C 13 37.144 0.000 A 19 ASN N N 15 111.696 0.023 A 19 ASN ND2 N 15 107.526 0.002 A 20 GLY H H 1 8.356 0.002 A 20 GLY HAy H 1 4.251 0.000 A 20 GLY HAx H 1 3.466 0.003 A 20 GLY C C 13 174.046 0.000 A 20 GLY CA C 13 45.284 0.001 A 20 GLY N N 15 108.448 0.014 A 21 GLN H H 1 7.760 0.001 A 21 GLN HA H 1 4.294 0.004 A 21 GLN HBy H 1 2.032 0.000 A 21 GLN HBx H 1 1.940 0.001 A 21 GLN HE2x H 1 6.781 0.000 A 21 GLN HE2y H 1 7.441 0.000 A 21 GLN HGx H 1 2.149 0.000 A 21 GLN HGy H 1 2.149 0.000 A 21 GLN C C 13 175.341 0.000 A 21 GLN CA C 13 54.393 0.009 A 21 GLN CB C 13 29.673 0.015 A 21 GLN CG C 13 33.778 0.000 A 21 GLN N N 15 119.352 0.020 A 21 GLN NE2 N 15 112.919 0.001 A 22 LEU H H 1 8.455 0.003 A 22 LEU HA H 1 4.378 0.016 A 22 LEU HBx H 1 1.363 0.002 A 22 LEU HBy H 1 1.600 0.000 A 22 LEU HDx% H 1 0.761 0.000 A 22 LEU HDy% H 1 0.617 0.000 A 22 LEU HG H 1 1.649 0.002 A 22 LEU C C 13 178.201 0.000 A 22 LEU CA C 13 55.100 0.000 A 22 LEU CB C 13 42.538 0.023 A 22 LEU CD1 C 13 24.999 0.000 A 22 LEU CD2 C 13 23.055 0.000 A 22 LEU CG C 13 26.952 0.037 A 22 LEU N N 15 120.745 0.007 A 23 CYS H H 1 8.352 0.002 A 23 CYS HA H 1 4.480 0.000 A 23 CYS HBy H 1 3.193 0.000 A 23 CYS HBx H 1 2.981 0.000 A 23 CYS C C 13 172.428 0.000 A 23 CYS CA C 13 55.105 0.000 A 23 CYS CB C 13 40.920 0.020 A 23 CYS N N 15 117.356 0.001 A 24 LYS H H 1 9.030 0.001 A 24 LYS HA H 1 4.366 0.005 A 24 LYS HBx H 1 1.812 0.000 A 24 LYS HBy H 1 1.860 0.000 A 24 LYS HDy H 1 1.809 0.000 A 24 LYS HDx H 1 1.451 0.000 A 24 LYS HEx H 1 2.954 0.002 A 24 LYS HEy H 1 2.954 0.002 A 24 LYS HGy H 1 1.596 0.000 A 24 LYS HGx H 1 1.417 0.000 A 24 LYS C C 13 175.589 0.000 A 24 LYS CA C 13 55.984 0.000 A 24 LYS CB C 13 35.181 0.000 A 24 LYS CD C 13 29.296 0.021 A 24 LYS CE C 13 42.898 0.000 A 24 LYS CG C 13 25.738 0.000 A 24 LYS N N 15 119.900 0.004 A 25 GLU H H 1 8.686 0.002 A 25 GLU HA H 1 4.009 0.000 A 25 GLU HBx H 1 1.747 0.000 A 25 GLU HBy H 1 1.910 0.000 A 25 GLU HGy H 1 2.553 0.004 A 25 GLU HGx H 1 2.099 0.000 A 25 GLU CA C 13 54.511 0.000 A 25 GLU CB C 13 29.530 0.000 A 25 GLU CG C 13 36.094 0.005 A 25 GLU N N 15 123.239 0.012 A 26 PRO HA H 1 3.696 0.000 A 26 PRO HBx H 1 1.248 0.002 A 26 PRO HBy H 1 2.202 0.004 A 26 PRO C C 13 176.362 0.000 A 26 PRO CA C 13 63.854 0.000 A 26 PRO CB C 13 31.428 0.010 A 27 GLY H H 1 9.002 0.001 A 27 GLY HAx H 1 3.532 0.005 A 27 GLY HAy H 1 4.114 0.004 A 27 GLY C C 13 173.553 0.000 A 27 GLY CA C 13 44.698 0.022 A 27 GLY N N 15 111.521 0.007 A 28 ASP H H 1 8.303 0.001 A 28 ASP HA H 1 4.615 0.001 A 28 ASP HBy H 1 2.911 0.000 A 28 ASP HBx H 1 2.560 0.000 A 28 ASP C C 13 176.116 0.000 A 28 ASP CA C 13 53.576 0.000 A 28 ASP CB C 13 41.271 0.001 A 28 ASP N N 15 121.251 0.009 A 29 SER H H 1 8.420 0.001 A 29 SER HA H 1 4.763 0.005 A 29 SER HBx H 1 3.805 0.000 A 29 SER HBy H 1 3.805 0.000 A 29 SER C C 13 173.056 0.000 A 29 SER CA C 13 58.686 0.001 A 29 SER CB C 13 63.657 0.019 A 29 SER N N 15 116.163 0.008 A 30 CYS H H 1 7.787 0.002 A 30 CYS HA H 1 4.810 0.004 A 30 CYS HBx H 1 2.949 0.001 A 30 CYS HBy H 1 3.107 0.001 A 30 CYS C C 13 172.749 0.000 A 30 CYS CA C 13 53.492 0.000 A 30 CYS CB C 13 47.645 0.028 A 30 CYS N N 15 117.124 0.014 A 31 SER H H 1 9.482 0.003 A 31 SER HA H 1 4.462 0.001 A 31 SER HBy H 1 3.790 0.000 A 31 SER HBx H 1 3.723 0.000 A 31 SER C C 13 173.875 0.000 A 31 SER CA C 13 59.072 0.000 A 31 SER CB C 13 65.057 0.014 A 31 SER N N 15 113.471 0.010 A 32 LYS H H 1 7.802 0.007 A 32 LYS HA H 1 4.554 0.017 A 32 LYS HBx H 1 1.649 0.000 A 32 LYS HBy H 1 1.950 0.000 A 32 LYS HGx H 1 1.251 0.000 A 32 LYS HGy H 1 1.251 0.000 A 32 LYS C C 13 176.356 0.000 A 32 LYS CA C 13 54.726 0.000 A 32 LYS CB C 13 35.850 0.000 A 32 LYS CG C 13 24.551 0.001 A 32 LYS N N 15 120.062 0.006 A 33 ARG H H 1 8.889 0.002 A 33 ARG HA H 1 3.631 0.000 A 33 ARG HBy H 1 1.923 0.000 A 33 ARG HBx H 1 1.783 0.000 A 33 ARG HDx H 1 3.189 0.000 A 33 ARG HDy H 1 3.189 0.000 A 33 ARG HE H 1 7.121 0.000 A 33 ARG HGx H 1 1.491 0.000 A 33 ARG HGy H 1 1.491 0.000 A 33 ARG C C 13 178.014 0.000 A 33 ARG CA C 13 60.063 0.000 A 33 ARG CB C 13 29.897 0.012 A 33 ARG CD C 13 43.641 0.000 A 33 ARG CG C 13 26.640 0.000 A 33 ARG N N 15 121.120 0.022 A 33 ARG NE N 15 84.289 0.000 A 34 ASP H H 1 8.429 0.002 A 34 ASP HA H 1 4.284 0.003 A 34 ASP HBy H 1 2.673 0.000 A 34 ASP HBx H 1 2.553 0.000 A 34 ASP C C 13 176.537 0.000 A 34 ASP CA C 13 55.508 0.000 A 34 ASP CB C 13 39.422 0.029 A 34 ASP N N 15 115.759 0.001 A 35 GLU H H 1 7.311 0.003 A 35 GLU HA H 1 4.166 0.000 A 35 GLU HBy H 1 2.205 0.000 A 35 GLU HBx H 1 1.907 0.000 A 35 GLU HGy H 1 2.376 0.000 A 35 GLU HGx H 1 2.134 0.000 A 35 GLU C C 13 176.895 0.000 A 35 GLU CA C 13 57.040 0.000 A 35 GLU CB C 13 31.501 0.000 A 35 GLU CG C 13 36.299 0.056 A 35 GLU N N 15 116.107 0.003 A 36 CYS H H 1 7.378 0.004 A 36 CYS HA H 1 4.767 0.000 A 36 CYS HBy H 1 3.390 0.001 A 36 CYS HBx H 1 2.410 0.002 A 36 CYS C C 13 175.875 0.000 A 36 CYS CA C 13 54.848 0.000 A 36 CYS CB C 13 37.697 0.029 A 36 CYS N N 15 118.020 0.001 A 37 CYS H H 1 10.026 0.000 A 37 CYS HA H 1 4.446 0.000 A 37 CYS HBx H 1 2.048 0.000 A 37 CYS HBy H 1 3.236 0.000 A 37 CYS C C 13 173.265 0.000 A 37 CYS CA C 13 54.933 0.000 A 37 CYS CB C 13 39.216 0.008 A 37 CYS N N 15 124.805 0.040 A 38 LYS H H 1 8.673 0.002 A 38 LYS HA H 1 4.276 0.000 A 38 LYS HBx H 1 1.590 0.000 A 38 LYS HBy H 1 1.766 0.000 A 38 LYS HGy H 1 1.408 0.000 A 38 LYS HGx H 1 1.321 0.000 A 38 LYS C C 13 176.758 0.000 A 38 LYS CA C 13 54.826 0.000 A 38 LYS CB C 13 34.549 0.000 A 38 LYS CG C 13 25.716 0.000 A 38 LYS N N 15 120.797 0.002 A 39 ALA H H 1 8.515 0.002 A 39 ALA HA H 1 4.033 0.000 A 39 ALA HB% H 1 1.202 0.000 A 39 ALA C C 13 176.607 0.000 A 39 ALA CA C 13 51.836 0.000 A 39 ALA CB C 13 20.385 0.001 A 39 ALA N N 15 121.879 0.007 A 40 ASP H H 1 8.024 0.004 A 40 ASP HA H 1 4.244 0.000 A 40 ASP HBx H 1 2.550 0.000 A 40 ASP HBy H 1 2.622 0.000 A 40 ASP C C 13 176.595 0.000 A 40 ASP CA C 13 56.599 0.000 A 40 ASP CB C 13 38.513 0.000 A 40 ASP N N 15 120.135 0.002 A 41 ASP H H 1 8.511 0.003 A 41 ASP HA H 1 4.826 0.000 A 41 ASP HBy H 1 3.090 0.000 A 41 ASP HBx H 1 2.616 0.000 A 41 ASP C C 13 175.836 0.000 A 41 ASP CA C 13 51.757 0.000 A 41 ASP CB C 13 39.390 0.018 A 41 ASP N N 15 117.567 0.015 A 42 GLN H H 1 8.270 0.004 A 42 GLN HA H 1 4.594 0.000 A 42 GLN HBy H 1 2.348 0.001 A 42 GLN HBx H 1 1.802 0.000 A 42 GLN HGy H 1 2.508 0.000 A 42 GLN HGx H 1 2.384 0.000 A 42 GLN C C 13 176.498 0.000 A 42 GLN CA C 13 56.797 0.000 A 42 GLN CB C 13 29.006 0.032 A 42 GLN CG C 13 35.096 0.030 A 42 GLN N N 15 121.347 0.005 A 43 LYS H H 1 8.041 0.002 A 43 LYS HA H 1 4.203 0.000 A 43 LYS HBx H 1 1.822 0.000 A 43 LYS HBy H 1 1.822 0.000 A 43 LYS HDy H 1 1.574 0.000 A 43 LYS HDx H 1 1.551 0.000 A 43 LYS HEx H 1 2.886 0.000 A 43 LYS HEy H 1 2.886 0.000 A 43 LYS HGy H 1 1.387 0.000 A 43 LYS HGx H 1 1.283 0.000 A 43 LYS C C 13 178.181 0.000 A 43 LYS CA C 13 57.685 0.000 A 43 LYS CB C 13 32.371 0.000 A 43 LYS CD C 13 29.058 0.019 A 43 LYS CE C 13 42.051 0.000 A 43 LYS CG C 13 25.011 0.000 A 43 LYS N N 15 118.711 0.002 A 44 THR H H 1 7.249 0.003 A 44 THR HA H 1 3.686 0.005 A 44 THR HB H 1 3.203 0.002 A 44 THR HG2% H 1 0.361 0.000 A 44 THR C C 13 174.258 0.000 A 44 THR CA C 13 64.212 0.000 A 44 THR CB C 13 69.033 0.000 A 44 THR CG2 C 13 21.960 0.000 A 44 THR N N 15 114.815 0.003 A 45 TYR H H 1 7.558 0.003 A 45 TYR HA H 1 5.198 0.000 A 45 TYR HBy H 1 2.700 0.000 A 45 TYR HBx H 1 2.546 0.000 A 45 TYR HD1 H 1 7.063 0.000 A 45 TYR HD2 H 1 7.063 0.000 A 45 TYR HE1 H 1 6.761 0.000 A 45 TYR HE2 H 1 6.761 0.000 A 45 TYR C C 13 174.519 0.000 A 45 TYR CA C 13 57.274 0.000 A 45 TYR CB C 13 41.442 0.000 A 45 TYR CD2 C 13 133.970 0.003 A 45 TYR CE1 C 13 118.424 0.049 A 45 TYR N N 15 118.832 0.008 A 46 SER H H 1 9.066 0.001 A 46 SER HA H 1 4.739 0.001 A 46 SER HBx H 1 3.729 0.000 A 46 SER HBy H 1 3.729 0.000 A 46 SER C C 13 172.770 0.000 A 46 SER CA C 13 56.271 0.000 A 46 SER CB C 13 65.566 0.001 A 46 SER N N 15 116.036 0.006 A 47 SER H H 1 8.064 0.000 A 47 SER HA H 1 5.226 0.001 A 47 SER HBx H 1 3.597 0.000 A 47 SER HBy H 1 3.597 0.000 A 47 SER C C 13 173.773 0.000 A 47 SER CA C 13 56.102 0.000 A 47 SER CB C 13 66.266 0.000 A 47 SER N N 15 115.742 0.000 A 48 GLY H H 1 7.309 0.003 A 48 GLY HAy H 1 3.728 0.000 A 48 GLY HAx H 1 3.553 0.000 A 48 GLY C C 13 168.296 0.000 A 48 GLY CA C 13 45.441 0.000 A 48 GLY N N 15 107.064 0.003 A 49 CYS H H 1 8.307 0.003 A 49 CYS HA H 1 4.970 0.000 A 49 CYS HBx H 1 2.495 0.000 A 49 CYS HBy H 1 2.563 0.000 A 49 CYS C C 13 173.424 0.000 A 49 CYS CA C 13 54.764 0.000 A 49 CYS CB C 13 42.451 0.012 A 49 CYS N N 15 118.652 0.021 A 50 ALA H H 1 8.696 0.002 A 50 ALA HA H 1 4.754 0.006 A 50 ALA HB% H 1 1.392 0.002 A 50 ALA C C 13 176.727 0.000 A 50 ALA CA C 13 51.474 0.000 A 50 ALA CB C 13 23.099 0.000 A 50 ALA N N 15 128.688 0.003 A 51 GLN H H 1 8.726 0.003 A 51 GLN HA H 1 4.602 0.001 A 51 GLN HBy H 1 1.759 0.003 A 51 GLN HBx H 1 1.756 0.000 A 51 GLN HGy H 1 2.123 0.000 A 51 GLN HGx H 1 2.042 0.000 A 51 GLN C C 13 175.406 0.000 A 51 GLN CA C 13 56.550 0.000 A 51 GLN CB C 13 29.898 0.000 A 51 GLN CG C 13 34.403 0.028 A 51 GLN N N 15 120.857 0.018 A 52 THR H H 1 9.095 0.001 A 52 THR HA H 1 4.700 0.001 A 52 THR HB H 1 3.955 0.000 A 52 THR HG2% H 1 1.012 0.000 A 52 THR C C 13 172.183 0.000 A 52 THR CA C 13 60.903 0.001 A 52 THR CB C 13 70.905 0.000 A 52 THR CG2 C 13 19.761 0.000 A 52 THR N N 15 120.172 0.000 A 53 TRP H H 1 8.750 0.002 A 53 TRP HA H 1 3.957 0.001 A 53 TRP HBy H 1 2.937 0.000 A 53 TRP HBx H 1 2.776 0.000 A 53 TRP HD1 H 1 6.664 0.000 A 53 TRP HE1 H 1 9.954 0.000 A 53 TRP HE3 H 1 5.712 0.001 A 53 TRP HH2 H 1 6.866 0.001 A 53 TRP HZ2 H 1 7.183 0.000 A 53 TRP HZ3 H 1 6.539 0.000 A 53 TRP C C 13 175.553 0.000 A 53 TRP CA C 13 58.327 0.058 A 53 TRP CB C 13 29.601 0.000 A 53 TRP CD1 C 13 126.764 0.006 A 53 TRP CE3 C 13 120.072 0.024 A 53 TRP CH2 C 13 124.634 0.019 A 53 TRP CZ2 C 13 113.791 0.011 A 53 TRP CZ3 C 13 121.586 0.060 A 53 TRP N N 15 126.769 0.001 A 53 TRP NE1 N 15 128.365 0.000 A 54 SER H H 1 7.680 0.003 A 54 SER HA H 1 4.470 0.000 A 54 SER HBx H 1 3.484 0.000 A 54 SER HBy H 1 3.484 0.000 A 54 SER C C 13 174.318 0.000 A 54 SER CA C 13 55.075 0.000 A 54 SER CB C 13 63.719 0.001 A 54 SER N N 15 122.459 0.007 A 55 ALA H H 1 8.679 0.003 A 55 ALA HA H 1 3.831 0.000 A 55 ALA HB% H 1 1.407 0.000 A 55 ALA C C 13 179.897 0.000 A 55 ALA CA C 13 54.625 0.000 A 55 ALA CB C 13 18.480 0.001 A 55 ALA N N 15 131.817 0.007 A 56 MET H H 1 8.053 0.004 A 56 MET HA H 1 4.066 0.000 A 56 MET HBy H 1 1.875 0.000 A 56 MET HBx H 1 1.818 0.000 A 56 MET HGy H 1 2.475 0.000 A 56 MET HGx H 1 2.394 0.000 A 56 MET C C 13 177.440 0.000 A 56 MET CA C 13 57.766 0.000 A 56 MET CB C 13 32.081 0.000 A 56 MET CG C 13 32.105 0.003 A 56 MET N N 15 115.996 0.007 A 57 GLU H H 1 7.345 0.005 A 57 GLU HA H 1 4.130 0.004 A 57 GLU HBx H 1 1.424 0.000 A 57 GLU HBy H 1 1.890 0.000 A 57 GLU HGx H 1 2.123 0.000 A 57 GLU HGy H 1 2.123 0.000 A 57 GLU C C 13 176.637 0.000 A 57 GLU CA C 13 55.764 0.000 A 57 GLU CB C 13 28.879 0.003 A 57 GLU CG C 13 33.881 0.000 A 57 GLU N N 15 115.242 0.006 A 58 GLY H H 1 7.723 0.003 A 58 GLY HAx H 1 3.383 0.000 A 58 GLY HAy H 1 3.735 0.000 A 58 GLY C C 13 173.844 0.000 A 58 GLY CA C 13 46.145 0.029 A 58 GLY N N 15 109.063 0.005 A 59 GLY H H 1 6.495 0.002 A 59 GLY HAy H 1 3.479 0.000 A 59 GLY HAx H 1 3.030 0.000 A 59 GLY C C 13 171.140 0.000 A 59 GLY CA C 13 44.528 0.001 A 59 GLY N N 15 105.253 0.005 A 60 PHE H H 1 8.373 0.003 A 60 PHE HA H 1 4.787 0.001 A 60 PHE HBy H 1 2.776 0.000 A 60 PHE HBx H 1 2.726 0.000 A 60 PHE HD1 H 1 7.136 0.001 A 60 PHE HD2 H 1 7.136 0.001 A 60 PHE HE1 H 1 7.389 0.001 A 60 PHE HE2 H 1 7.389 0.001 A 60 PHE HZ H 1 7.217 0.000 A 60 PHE C C 13 176.489 0.000 A 60 PHE CA C 13 59.087 0.000 A 60 PHE CB C 13 40.496 0.005 A 60 PHE CD1 C 13 131.861 0.000 A 60 PHE CE1 C 13 131.699 0.007 A 60 PHE CZ C 13 130.299 0.006 A 60 PHE N N 15 118.280 0.011 A 61 VAL H H 1 8.965 0.002 A 61 VAL HA H 1 4.422 0.002 A 61 VAL HB H 1 1.988 0.006 A 61 VAL HGx% H 1 0.647 0.000 A 61 VAL HGy% H 1 0.721 0.000 A 61 VAL C C 13 174.857 0.000 A 61 VAL CA C 13 59.958 0.000 A 61 VAL CB C 13 35.315 0.000 A 61 VAL CG1 C 13 19.482 0.000 A 61 VAL CG2 C 13 21.450 0.000 A 61 VAL N N 15 119.328 0.005 A 62 ARG H H 1 8.419 0.003 A 62 ARG HA H 1 4.687 0.004 A 62 ARG HBx H 1 1.800 0.000 A 62 ARG HBy H 1 1.800 0.000 A 62 ARG HDy H 1 3.067 0.000 A 62 ARG HDx H 1 3.031 0.000 A 62 ARG HGy H 1 1.484 0.000 A 62 ARG HGx H 1 1.257 0.000 A 62 ARG C C 13 176.543 0.000 A 62 ARG CA C 13 56.409 0.000 A 62 ARG CB C 13 31.274 0.000 A 62 ARG CD C 13 43.712 0.000 A 62 ARG CG C 13 28.620 0.020 A 62 ARG N N 15 124.189 0.007 A 63 GLU H H 1 8.416 0.005 A 63 GLU HA H 1 5.215 0.000 A 63 GLU HBy H 1 1.719 0.000 A 63 GLU HBx H 1 1.578 0.000 A 63 GLU HGy H 1 2.050 0.000 A 63 GLU HGx H 1 1.958 0.000 A 63 GLU C C 13 176.955 0.000 A 63 GLU CA C 13 54.113 0.000 A 63 GLU CB C 13 34.671 0.003 A 63 GLU CG C 13 33.672 0.006 A 63 GLU N N 15 121.715 0.001 A 64 CYS H H 1 8.360 0.002 A 64 CYS HA H 1 5.378 0.004 A 64 CYS HBy H 1 3.100 0.001 A 64 CYS HBx H 1 2.797 0.000 A 64 CYS C C 13 175.003 0.000 A 64 CYS CA C 13 54.835 0.000 A 64 CYS CB C 13 38.425 0.000 A 64 CYS N N 15 120.930 0.016 A 65 TYR H H 1 8.600 0.002 A 65 TYR HA H 1 5.333 0.000 A 65 TYR HBx H 1 2.805 0.000 A 65 TYR HBy H 1 2.896 0.000 A 65 TYR HD1 H 1 6.746 0.000 A 65 TYR HD2 H 1 6.746 0.000 A 65 TYR HE1 H 1 6.497 0.000 A 65 TYR HE2 H 1 6.497 0.000 A 65 TYR C C 13 173.856 0.000 A 65 TYR CA C 13 56.010 0.000 A 65 TYR CB C 13 42.509 0.012 A 65 TYR CD2 C 13 133.954 0.011 A 65 TYR CE2 C 13 117.479 0.000 A 65 TYR N N 15 117.985 0.003 A 66 ILE H H 1 8.532 0.002 A 66 ILE HA H 1 4.694 0.000 A 66 ILE HB H 1 1.413 0.000 A 66 ILE HD1% H 1 0.056 0.000 A 66 ILE HG1y H 1 1.339 0.000 A 66 ILE HG1x H 1 0.740 0.000 A 66 ILE HG2% H 1 0.628 0.000 A 66 ILE C C 13 174.776 0.000 A 66 ILE CA C 13 61.651 0.000 A 66 ILE CB C 13 41.103 0.000 A 66 ILE CD1 C 13 12.811 0.001 A 66 ILE CG1 C 13 28.006 0.000 A 66 ILE CG2 C 13 19.719 0.000 A 66 ILE N N 15 120.653 0.001 A 67 CYS H H 1 9.205 0.002 A 67 CYS HA H 1 4.966 0.000 A 67 CYS HBx H 1 3.036 0.000 A 67 CYS HBy H 1 3.036 0.000 A 67 CYS C C 13 172.828 0.000 A 67 CYS CA C 13 53.886 0.000 A 67 CYS CB C 13 45.189 0.035 A 67 CYS N N 15 122.570 0.001 A 68 ALA H H 1 9.099 0.002 A 68 ALA HA H 1 4.576 0.000 A 68 ALA HB% H 1 1.373 0.000 A 68 ALA C C 13 177.664 0.000 A 68 ALA CA C 13 52.344 0.001 A 68 ALA CB C 13 18.305 0.000 A 68 ALA N N 15 126.893 0.000 A 69 VAL H H 1 8.122 0.003 A 69 VAL HA H 1 3.738 0.000 A 69 VAL HB H 1 1.885 0.000 A 69 VAL HGy% H 1 0.796 0.000 A 69 VAL C C 13 177.182 0.000 A 69 VAL CA C 13 64.804 0.000 A 69 VAL CB C 13 31.909 0.000 A 69 VAL CG2 C 13 21.244 0.000 A 69 VAL N N 15 123.230 0.010 A 70 GLU H H 1 8.389 0.002 A 70 GLU HA H 1 4.178 0.001 A 70 GLU HBy H 1 2.071 0.008 A 70 GLU HBx H 1 1.889 0.008 A 70 GLU HGx H 1 2.314 0.000 A 70 GLU HGy H 1 2.314 0.000 A 70 GLU C C 13 176.032 0.000 A 70 GLU CA C 13 56.534 0.000 A 70 GLU CB C 13 27.992 0.000 A 70 GLU CG C 13 33.875 0.000 A 70 GLU N N 15 117.730 0.005 A 71 SER H H 1 7.819 0.003 A 71 SER HA H 1 4.382 0.000 A 71 SER HBx H 1 3.934 0.002 A 71 SER HBy H 1 3.936 0.000 A 71 SER C C 13 175.068 0.000 A 71 SER CA C 13 58.279 0.000 A 71 SER CB C 13 64.481 0.001 A 71 SER N N 15 114.469 0.004 A 72 SER H H 1 8.407 0.003 A 72 SER HA H 1 4.317 0.001 A 72 SER HBy H 1 3.917 0.001 A 72 SER HBx H 1 3.863 0.001 A 72 SER C C 13 174.598 0.000 A 72 SER CA C 13 59.500 0.000 A 72 SER CB C 13 63.349 0.000 A 72 SER N N 15 117.731 0.008 A 73 MET H H 1 8.027 0.002 A 73 MET HA H 1 4.442 0.001 A 73 MET HBy H 1 2.068 0.000 A 73 MET HBx H 1 1.823 0.000 A 73 MET HGy H 1 2.478 0.000 A 73 MET HGx H 1 2.391 0.000 A 73 MET C C 13 174.889 0.000 A 73 MET CA C 13 55.280 0.000 A 73 MET CB C 13 32.807 0.003 A 73 MET CG C 13 32.279 0.001 A 73 MET N N 15 119.375 0.017 A 74 CYS H H 1 7.725 0.003 A 74 CYS HA H 1 4.394 0.000 A 74 CYS HBy H 1 2.910 0.000 A 74 CYS HBx H 1 2.770 0.000 A 74 CYS CA C 13 56.283 0.000 A 74 CYS CB C 13 41.324 0.028 A 74 CYS N N 15 123.155 0.010 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 23 CYS SG A 37 CYS SG 1.0 . 1.98 2 2 A 23 CYS SG A 37 CYS CB 1.0 . 2.90 3 3 A 37 CYS SG A 23 CYS CB 1.0 . 2.90 4 4 A 30 CYS SG A 49 CYS SG 1.0 . 1.98 5 5 A 30 CYS SG A 49 CYS CB 1.0 . 2.90 6 6 A 49 CYS SG A 30 CYS CB 1.0 . 2.90 7 7 A 36 CYS SG A 64 CYS SG 1.0 . 1.98 8 8 A 36 CYS SG A 64 CYS CB 1.0 . 2.90 9 9 A 64 CYS SG A 36 CYS CB 1.0 . 2.90 10 10 A 67 CYS SG A 74 CYS SG 1.0 . 1.98 11 11 A 67 CYS SG A 74 CYS CB 1.0 . 2.90 12 12 A 74 CYS SG A 67 CYS CB 1.0 . 2.90 13 13 A 23 CYS SG A 37 CYS SG 1.0 . 2.12 14 14 A 23 CYS SG A 37 CYS CB 1.0 . 3.50 15 15 A 37 CYS SG A 23 CYS CB 1.0 . 3.50 16 16 A 30 CYS SG A 49 CYS SG 1.0 . 2.12 17 17 A 30 CYS SG A 49 CYS CB 1.0 . 3.50 18 18 A 49 CYS SG A 30 CYS CB 1.0 . 3.50 19 19 A 36 CYS SG A 64 CYS SG 1.0 . 2.12 20 20 A 36 CYS SG A 64 CYS CB 1.0 . 3.50 21 21 A 64 CYS SG A 36 CYS CB 1.0 . 3.50 22 22 A 67 CYS SG A 74 CYS SG 1.0 . 2.12 23 23 A 67 CYS SG A 74 CYS CB 1.0 . 3.50 24 24 A 74 CYS SG A 67 CYS CB 1.0 . 3.50 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 44 THR HA A 44 THR HG2% 1.0 . 2.80 2 2 A 52 THR HB A 53 TRP HBx 1.0 . 4.89 3 3 A 52 THR HB A 61 VAL HGy% 1.0 . 5.19 4 4 A 52 THR HB A 52 THR H 1.0 . 4.00 5 5 A 6 LEU HBx A 27 GLY HAy 1.0 . 4.57 6 6 A 57 GLU HA A 59 GLY H 1.0 . 4.98 7 7 A 57 GLU HA A 57 GLU HBy 1.0 . 2.88 8 8 A 57 GLU HA A 57 GLU HGx 1.0 . 3.02 9 8 A 57 GLU HA A 57 GLU HGy 1.0 . 3.02 10 9 A 6 LEU HBx A 65 TYR HBx 1.0 . 4.63 11 10 A 33 ARG HGy A 48 GLY HAy 1.0 . 4.23 12 10 A 33 ARG HGx A 48 GLY HAy 1.0 . 4.23 13 11 A 55 ALA HB% A 58 GLY HAx 1.0 . 4.95 14 12 A 6 LEU HG A 27 GLY HAx 1.0 . 3.79 15 13 A 27 GLY HAy A 6 LEU HG 1.0 . 4.00 16 14 A 27 GLY HAx A 63 GLU HBy 1.0 . 4.71 17 15 A 27 GLY HAy A 63 GLU HBy 1.0 . 4.93 18 16 A 27 GLY HAx A 64 CYS H 1.0 . 4.59 19 17 A 27 GLY HAy A 64 CYS H 1.0 . 5.50 20 18 A 33 ARG HGy A 48 GLY HAx 1.0 . 4.23 21 18 A 48 GLY HAx A 33 ARG HGx 1.0 . 4.23 22 19 A 68 ALA HB% A 72 SER HA 1.0 . 5.14 23 20 A 72 SER HA A 74 CYS H 1.0 . 4.26 24 21 A 72 SER H A 71 SER HBx 1.0 . 4.91 25 22 A 72 SER H A 71 SER HBy 1.0 . 4.91 26 23 A 70 GLU HGy A 71 SER HBx 1.0 . 5.50 27 23 A 71 SER HBx A 70 GLU HGx 1.0 . 5.50 28 24 A 70 GLU HGy A 71 SER HBy 1.0 . 5.50 29 24 A 70 GLU HGx A 71 SER HBy 1.0 . 5.50 30 25 A 68 ALA HB% A 71 SER HA 1.0 . 4.35 31 26 A 57 GLU HBy A 54 SER HBx 1.0 . 4.14 32 26 A 57 GLU HBy A 54 SER HBy 1.0 . 4.14 33 27 A 57 GLU HBx A 54 SER HBx 1.0 . 3.74 34 27 A 54 SER HBy A 57 GLU HBx 1.0 . 3.74 35 28 A 38 LYS HA A 47 SER HBx 1.0 . 3.77 36 28 A 38 LYS HA A 47 SER HBy 1.0 . 3.77 37 29 A 66 ILE HA A 47 SER HBx 1.0 . 4.25 38 29 A 47 SER HBy A 66 ILE HA 1.0 . 4.25 39 30 A 66 ILE HA A 47 SER HA 1.0 . 3.43 40 31 A 66 ILE HD1% A 47 SER HBx 1.0 . 4.57 41 31 A 47 SER HBy A 66 ILE HD1% 1.0 . 4.57 42 32 A 47 SER HA A 66 ILE HD1% 1.0 . 4.62 43 33 A 66 ILE HG2% A 47 SER HBx 1.0 . 3.89 44 33 A 47 SER HBy A 66 ILE HG2% 1.0 . 3.89 45 34 A 66 ILE HG1x A 47 SER HBx 1.0 . 4.12 46 34 A 47 SER HBy A 66 ILE HG1x 1.0 . 4.12 47 35 A 66 ILE HG1y A 47 SER HBx 1.0 . 3.91 48 35 A 47 SER HBy A 66 ILE HG1y 1.0 . 3.91 49 36 A 38 LYS HBy A 47 SER HBx 1.0 . 4.74 50 36 A 47 SER HBy A 38 LYS HBy 1.0 . 4.74 51 37 A 47 SER HA A 66 ILE HG1x 1.0 . 4.14 52 38 A 47 SER HA A 66 ILE HG1y 1.0 . 4.38 53 39 A 47 SER HA A 65 TYR HD% 1.0 . 4.47 54 40 A 47 SER HA A 65 TYR HE% 1.0 . 4.52 55 41 A 47 SER HA A 48 GLY H 1.0 . 3.22 56 42 A 47 SER HA A 66 ILE H 1.0 . 5.32 57 43 A 47 SER HA A 67 CYS H 1.0 . 4.54 58 44 A 39 ALA H A 47 SER HBx 1.0 . 4.32 59 44 A 47 SER HBy A 39 ALA H 1.0 . 4.32 60 45 A 47 SER H A 47 SER HBx 1.0 . 3.60 61 45 A 47 SER HBy A 47 SER H 1.0 . 3.60 62 46 A 65 TYR HD% A 47 SER HBx 1.0 . 5.50 63 46 A 47 SER HBy A 65 TYR HD% 1.0 . 5.50 64 47 A 44 THR HB A 45 TYR HD% 1.0 . 4.41 65 48 A 44 THR HB A 45 TYR HE% 1.0 . 4.57 66 49 A 44 THR HB A 69 VAL HB 1.0 . 5.50 67 50 A 44 THR HA A 69 VAL HGy% 1.0 . 3.51 68 51 A 26 PRO HA A 28 ASP H 1.0 . 3.88 69 52 A 26 PRO HA A 27 GLY H 1.0 . 3.19 70 53 A 44 THR HA A 45 TYR HE% 1.0 . 5.50 71 54 A 26 PRO HA A 65 TYR HA 1.0 . 4.15 72 55 A 6 LEU HBx A 26 PRO HBy 1.0 . 4.03 73 56 A 6 LEU HBx A 26 PRO HBx 1.0 . 4.48 74 57 A 32 LYS HGy A 31 SER HBy 1.0 . 4.59 75 57 A 31 SER HBy A 32 LYS HGx 1.0 . 4.59 76 58 A 15 VAL HA A 16 LYS H 1.0 . 3.01 77 59 A 31 SER HA A 32 LYS HGx 1.0 . 4.31 78 59 A 32 LYS HGy A 31 SER HA 1.0 . 4.31 79 60 A 15 VAL HA A 16 LYS HBx 1.0 . 4.74 80 60 A 15 VAL HA A 16 LYS HBy 1.0 . 4.74 81 61 A 28 ASP HA A 29 SER HBx 1.0 . 4.38 82 61 A 28 ASP HA A 29 SER HBy 1.0 . 4.38 83 62 A 61 VAL HB A 29 SER HBx 1.0 . 4.52 84 62 A 29 SER HBy A 61 VAL HB 1.0 . 4.52 85 63 A 29 SER HBy A 62 ARG HBx 1.0 . 4.80 86 63 A 29 SER HBx A 62 ARG HBx 1.0 . 4.80 87 63 A 62 ARG HBy A 29 SER HBx 1.0 . 4.80 88 63 A 29 SER HBy A 62 ARG HBy 1.0 . 4.80 89 64 A 55 ALA H A 56 MET HA 1.0 . 5.34 90 65 A 55 ALA HB% A 56 MET HA 1.0 . 3.92 91 66 A 56 MET HA A 56 MET HGx 1.0 . 3.74 92 67 A 56 MET HA A 56 MET HGy 1.0 . 3.74 93 68 A 37 CYS HBy A 38 LYS HBx 1.0 . 5.05 94 69 A 50 ALA H A 33 ARG HGx 1.0 . 5.50 95 69 A 33 ARG HGy A 50 ALA H 1.0 . 5.50 96 70 A 33 ARG HA A 33 ARG HGx 1.0 . 3.31 97 70 A 33 ARG HGy A 33 ARG HA 1.0 . 3.31 98 71 A 61 VAL HA A 62 ARG HBx 1.0 . 4.53 99 71 A 62 ARG HBy A 61 VAL HA 1.0 . 4.53 100 72 A 69 VAL HGy% A 45 TYR H 1.0 . 4.55 101 73 A 18 PRO HA A 20 GLY H 1.0 . 4.12 102 74 A 17 LEU HA A 18 PRO HGy 1.0 . 4.98 103 75 A 18 PRO HGy A 19 ASN HA 1.0 . 5.28 104 76 A 17 LEU HG A 18 PRO HDx 1.0 . 4.83 105 77 A 17 LEU HG A 18 PRO HDy 1.0 . 4.15 106 78 A 18 PRO HDy A 17 LEU H 1.0 . 4.81 107 79 A 19 ASN HA A 18 PRO HBy 1.0 . 4.80 108 80 A 17 LEU HDy% A 18 PRO HBx 1.0 . 5.50 109 81 A 70 GLU H A 70 GLU HBx 1.0 . 3.95 110 82 A 17 LEU HDy% A 18 PRO HGx 1.0 . 4.35 111 83 A 19 ASN HA A 18 PRO HDy 1.0 . 5.50 112 84 A 19 ASN HD2x A 19 ASN HBy 1.0 . 4.07 113 85 A 38 LYS HA A 39 ALA HA 1.0 . 4.47 114 86 A 17 LEU HDx% A 21 GLN HBx 1.0 . 4.77 115 87 A 17 LEU HDx% A 21 GLN HBy 1.0 . 4.77 116 88 A 17 LEU HDx% A 21 GLN HA 1.0 . 5.10 117 89 A 21 GLN HA A 21 GLN HGx 1.0 . 3.21 118 89 A 21 GLN HA A 21 GLN HGy 1.0 . 3.21 119 90 A 17 LEU HDx% A 23 CYS HBx 1.0 . 3.87 120 91 A 17 LEU HDx% A 23 CYS HA 1.0 . 3.57 121 92 A 17 LEU HDx% A 23 CYS HBy 1.0 . 4.44 122 93 A 24 LYS HA A 24 LYS HEx 1.0 . 3.92 123 93 A 24 LYS HA A 24 LYS HEy 1.0 . 3.92 124 94 A 24 LYS HBy A 24 LYS HEx 1.0 . 4.32 125 94 A 24 LYS HEy A 24 LYS HBy 1.0 . 4.32 126 95 A 24 LYS HBx A 24 LYS HEx 1.0 . 4.62 127 95 A 24 LYS HEy A 24 LYS HBx 1.0 . 4.62 128 96 A 24 LYS HEy A 24 LYS HGy 1.0 . 4.19 129 96 A 24 LYS HGy A 24 LYS HEx 1.0 . 4.19 130 97 A 24 LYS HEy A 24 LYS HGx 1.0 . 4.19 131 97 A 24 LYS HEx A 24 LYS HGx 1.0 . 4.19 132 98 A 30 CYS H A 30 CYS HBx 1.0 . 4.15 133 99 A 30 CYS HBy A 49 CYS HBx 1.0 . 4.64 134 100 A 30 CYS HBy A 35 GLU HBy 1.0 . 4.59 135 101 A 24 LYS HBy A 30 CYS HBy 1.0 . 4.42 136 102 A 24 LYS HBy A 30 CYS HBx 1.0 . 5.45 137 103 A 30 CYS HBx A 35 GLU HBy 1.0 . 4.71 138 104 A 30 CYS HBx A 49 CYS HBx 1.0 . 4.71 139 105 A 33 ARG HA A 36 CYS HBy 1.0 . 4.95 140 106 A 33 ARG HA A 36 CYS HBx 1.0 . 4.95 141 107 A 50 ALA H A 49 CYS HA 1.0 . 3.11 142 108 A 65 TYR HD% A 49 CYS HA 1.0 . 4.57 143 109 A 33 ARG HA A 49 CYS HA 1.0 . 4.87 144 110 A 49 CYS HA A 50 ALA HB% 1.0 . 4.11 145 111 A 33 ARG HA A 49 CYS HBy 1.0 . 3.91 146 112 A 65 TYR HD% A 64 CYS HA 1.0 . 4.28 147 113 A 49 CYS HA A 64 CYS HA 1.0 . 3.42 148 114 A 26 PRO HA A 64 CYS HA 1.0 . 4.59 149 115 A 65 TYR HD% A 67 CYS HBx 1.0 . 4.16 150 115 A 65 TYR HD% A 67 CYS HBy 1.0 . 4.16 151 116 A 65 TYR HBx A 67 CYS HBx 1.0 . 4.38 152 116 A 65 TYR HBx A 67 CYS HBy 1.0 . 4.38 153 117 A 73 MET HA A 73 MET HGy 1.0 . 3.89 154 118 A 56 MET HA A 56 MET HBx 1.0 . 2.94 155 119 A 4 TRP HA A 4 TRP HE3 1.0 . 3.85 156 120 A 8 TYR HA A 8 TYR HD% 1.0 . 3.91 157 121 A 10 ILE HA A 10 ILE HG1y 1.0 . 3.86 158 122 A 10 ILE HG1y A 10 ILE HG2% 1.0 . 3.41 159 123 A 7 GLY HAx A 10 ILE HD1% 1.0 . 3.69 160 124 A 6 LEU H A 6 LEU HDx% 1.0 . 4.34 161 125 A 17 LEU HA A 17 LEU HG 1.0 . 3.64 162 126 A 10 ILE HG2% A 11 PRO HDy 1.0 . 4.16 163 127 A 39 ALA HA A 12 HIS HA 1.0 . 3.33 164 128 A 61 VAL HA A 61 VAL HGx% 1.0 . 3.24 165 129 A 16 LYS HA A 16 LYS HBx 1.0 . 2.99 166 129 A 16 LYS HBy A 16 LYS HA 1.0 . 2.99 167 130 A 16 LYS HA A 16 LYS HGx 1.0 . 4.00 168 131 A 16 LYS HEy A 16 LYS HGx 1.0 . 3.97 169 131 A 16 LYS HEx A 16 LYS HGx 1.0 . 3.97 170 132 A 16 LYS HEy A 16 LYS HGy 1.0 . 3.97 171 132 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.97 172 133 A 16 LYS H A 16 LYS HEx 1.0 . 4.74 173 133 A 16 LYS H A 16 LYS HEy 1.0 . 4.74 174 134 A 15 VAL H A 15 VAL HB 1.0 . 3.98 175 135 A 15 VAL HA A 15 VAL HGx% 1.0 . 2.99 176 136 A 15 VAL HA A 15 VAL HGy% 1.0 . 3.30 177 137 A 15 VAL HB A 16 LYS HBx 1.0 . 4.59 178 137 A 16 LYS HBy A 15 VAL HB 1.0 . 4.59 179 138 A 23 CYS HBx A 15 VAL HGy% 1.0 . 4.92 180 139 A 16 LYS H A 15 VAL HGy% 1.0 . 4.21 181 140 A 15 VAL HGy% A 23 CYS H 1.0 . 4.69 182 141 A 15 VAL H A 14 GLN HBy 1.0 . 4.62 183 142 A 15 VAL HGx% A 13 LYS HBx 1.0 . 3.60 184 142 A 15 VAL HGx% A 13 LYS HBy 1.0 . 3.60 185 143 A 1 SER HA A 1 SER HBx 1.0 . 2.91 186 143 A 1 SER HA A 1 SER HBy 1.0 . 2.91 187 144 A 35 GLU HA A 36 CYS HA 1.0 . 4.75 188 145 A 17 LEU HDx% A 35 GLU HA 1.0 . 2.83 189 146 A 6 LEU HG A 3 ARG HA 1.0 . 4.54 190 147 A 3 ARG HA A 6 LEU HBy 1.0 . 4.36 191 148 A 4 TRP HA A 8 TYR HBx 1.0 . 4.10 192 148 A 4 TRP HA A 8 TYR HBy 1.0 . 4.10 193 149 A 22 LEU HA A 22 LEU HDx% 1.0 . 3.83 194 150 A 22 LEU HDx% A 22 LEU H 1.0 . 4.11 195 151 A 22 LEU HDx% A 14 GLN HE2x 1.0 . 4.35 196 152 A 22 LEU HA A 22 LEU HDy% 1.0 . 2.96 197 153 A 22 LEU HDy% A 16 LYS HEx 1.0 . 3.83 198 153 A 16 LYS HEy A 22 LEU HDy% 1.0 . 3.83 199 154 A 22 LEU HDy% A 22 LEU HBx 1.0 . 3.23 200 155 A 17 LEU H A 22 LEU HDy% 1.0 . 4.01 201 156 A 22 LEU HDx% A 22 LEU HBy 1.0 . 2.71 202 157 A 22 LEU HDx% A 22 LEU HBx 1.0 . 3.18 203 158 A 26 PRO HBx A 8 TYR HA 1.0 . 3.74 204 159 A 26 PRO HBy A 8 TYR HA 1.0 . 4.50 205 160 A 8 TYR HA A 12 HIS HE1 1.0 . 4.52 206 161 A 26 PRO HBx A 8 TYR HBx 1.0 . 4.59 207 161 A 26 PRO HBx A 8 TYR HBy 1.0 . 4.59 208 162 A 66 ILE HD1% A 8 TYR HA 1.0 . 4.79 209 163 A 4 TRP HZ3 A 9 GLY HAx 1.0 . 4.42 210 164 A 4 TRP HZ3 A 9 GLY HAy 1.0 . 4.42 211 165 A 9 GLY H A 10 ILE HB 1.0 . 5.11 212 166 A 10 ILE HD1% A 10 ILE H 1.0 . 3.64 213 167 A 45 TYR HE% A 10 ILE HG2% 1.0 . 4.17 214 168 A 45 TYR HD% A 10 ILE HG2% 1.0 . 4.26 215 169 A 10 ILE HG2% A 11 PRO HDx 1.0 . 4.16 216 170 A 10 ILE HG2% A 12 HIS HA 1.0 . 4.38 217 171 A 10 ILE HD1% A 10 ILE HB 1.0 . 3.53 218 172 A 10 ILE HD1% A 66 ILE HB 1.0 . 3.99 219 173 A 10 ILE HG2% A 10 ILE HD1% 1.0 . 3.13 220 174 A 10 ILE HA A 10 ILE HD1% 1.0 . 3.92 221 175 A 10 ILE HD1% A 7 GLY HAy 1.0 . 3.62 222 176 A 45 TYR HD% A 10 ILE HD1% 1.0 . 4.08 223 177 A 45 TYR HE% A 10 ILE HD1% 1.0 . 3.76 224 178 A 10 ILE HD1% A 12 HIS HE1 1.0 . 5.05 225 179 A 10 ILE HG1y A 7 GLY HAy 1.0 . 4.59 226 180 A 10 ILE HA A 10 ILE HG2% 1.0 . 3.34 227 181 A 10 ILE HA A 10 ILE HG1x 1.0 . 3.72 228 182 A 10 ILE HA A 11 PRO HGx 1.0 . 4.53 229 183 A 10 ILE HA A 11 PRO HGy 1.0 . 4.53 230 184 A 39 ALA HA A 12 HIS HBy 1.0 . 4.27 231 185 A 39 ALA HA A 12 HIS HBx 1.0 . 4.73 232 186 A 66 ILE HD1% A 12 HIS HBy 1.0 . 3.94 233 187 A 66 ILE HD1% A 12 HIS HBx 1.0 . 4.67 234 188 A 13 LYS HA A 13 LYS HBx 1.0 . 2.77 235 188 A 13 LYS HBy A 13 LYS HA 1.0 . 2.77 236 189 A 38 LYS HA A 42 GLN HBx 1.0 . 5.50 237 190 A 42 GLN HBx A 43 LYS H 1.0 . 4.70 238 191 A 51 GLN H A 51 GLN HGy 1.0 . 4.77 239 192 A 14 GLN HA A 14 GLN HGy 1.0 . 4.16 240 193 A 14 GLN HA A 14 GLN HGx 1.0 . 4.16 241 194 A 17 LEU HA A 16 LYS HBx 1.0 . 4.52 242 194 A 16 LYS HBy A 17 LEU HA 1.0 . 4.52 243 195 A 16 LYS HA A 22 LEU HDy% 1.0 . 3.33 244 196 A 17 LEU HDx% A 16 LYS HA 1.0 . 4.61 245 197 A 16 LYS HA A 16 LYS HGy 1.0 . 4.00 246 198 A 16 LYS HA A 16 LYS HEx 1.0 . 4.37 247 198 A 16 LYS HA A 16 LYS HEy 1.0 . 4.37 248 199 A 18 PRO HDx A 17 LEU HBy 1.0 . 4.77 249 200 A 18 PRO HDx A 17 LEU HBx 1.0 . 3.77 250 201 A 19 ASN HA A 17 LEU HBx 1.0 . 5.26 251 202 A 23 CYS HA A 17 LEU HBy 1.0 . 5.21 252 203 A 17 LEU HBx A 19 ASN H 1.0 . 4.57 253 204 A 17 LEU HA A 17 LEU HDx% 1.0 . 3.94 254 205 A 18 PRO HDy A 17 LEU HDx% 1.0 . 4.22 255 206 A 17 LEU HDx% A 17 LEU HBy 1.0 . 3.35 256 207 A 17 LEU HDx% A 19 ASN H 1.0 . 4.28 257 208 A 17 LEU HG A 23 CYS H 1.0 . 4.02 258 209 A 17 LEU H A 17 LEU HDy% 1.0 . 4.20 259 210 A 17 LEU HDy% A 23 CYS H 1.0 . 5.09 260 211 A 17 LEU HA A 17 LEU HDy% 1.0 . 3.00 261 212 A 17 LEU HDy% A 35 GLU HA 1.0 . 4.00 262 213 A 18 PRO HDy A 17 LEU HDy% 1.0 . 3.26 263 214 A 17 LEU HDy% A 23 CYS HBx 1.0 . 4.79 264 215 A 17 LEU HDy% A 17 LEU HBy 1.0 . 3.66 265 216 A 17 LEU HDy% A 17 LEU HBx 1.0 . 3.60 266 217 A 17 LEU HDx% A 17 LEU HBx 1.0 . 3.51 267 218 A 18 PRO HDx A 17 LEU HDx% 1.0 . 5.31 268 219 A 18 PRO HDx A 17 LEU HDy% 1.0 . 3.36 269 220 A 17 LEU HA A 18 PRO HDx 1.0 . 3.49 270 221 A 17 LEU HA A 18 PRO HDy 1.0 . 3.25 271 222 A 18 PRO HDy A 17 LEU HBx 1.0 . 3.91 272 223 A 18 PRO HDy A 17 LEU HBy 1.0 . 3.74 273 224 A 17 LEU HDx% A 21 GLN HGx 1.0 . 5.02 274 224 A 17 LEU HDx% A 21 GLN HGy 1.0 . 5.02 275 225 A 22 LEU HA A 22 LEU HG 1.0 . 3.56 276 226 A 23 CYS H A 22 LEU HDx% 1.0 . 4.61 277 227 A 23 CYS H A 22 LEU HDy% 1.0 . 3.40 278 228 A 22 LEU HDy% A 22 LEU HBy 1.0 . 2.78 279 229 A 6 LEU HDx% A 5 ASN H 1.0 . 4.87 280 230 A 25 GLU HA A 25 GLU HGy 1.0 . 4.04 281 231 A 25 GLU HA A 25 GLU HGx 1.0 . 4.07 282 232 A 25 GLU HGx A 24 LYS HDx 1.0 . 4.62 283 233 A 25 GLU HA A 24 LYS HDx 1.0 . 5.50 284 234 A 24 LYS HDx A 28 ASP HBy 1.0 . 4.63 285 235 A 24 LYS HDx A 28 ASP HBx 1.0 . 4.63 286 236 A 25 GLU H A 28 ASP HBy 1.0 . 4.63 287 237 A 25 GLU H A 28 ASP HBx 1.0 . 4.63 288 238 A 29 SER H A 28 ASP HBx 1.0 . 4.19 289 239 A 32 LYS HBx A 33 ARG H 1.0 . 4.42 290 240 A 32 LYS HGy A 31 SER HBx 1.0 . 4.59 291 240 A 31 SER HBx A 32 LYS HGx 1.0 . 4.59 292 241 A 33 ARG HA A 49 CYS HBx 1.0 . 3.69 293 242 A 33 ARG HA A 35 GLU HBy 1.0 . 4.74 294 243 A 33 ARG HA A 32 LYS HA 1.0 . 4.54 295 244 A 33 ARG HA A 49 CYS H 1.0 . 3.82 296 245 A 33 ARG HA A 35 GLU H 1.0 . 4.19 297 246 A 35 GLU H A 33 ARG HGx 1.0 . 5.18 298 246 A 33 ARG HGy A 35 GLU H 1.0 . 5.18 299 247 A 33 ARG HDy A 33 ARG HBx 1.0 . 4.15 300 247 A 33 ARG HBx A 33 ARG HDx 1.0 . 4.15 301 248 A 33 ARG HDy A 33 ARG HBy 1.0 . 4.15 302 248 A 33 ARG HBy A 33 ARG HDx 1.0 . 4.15 303 249 A 34 ASP HA A 36 CYS H 1.0 . 4.05 304 250 A 24 LYS HDx A 35 GLU HBx 1.0 . 5.50 305 251 A 35 GLU HA A 35 GLU HBx 1.0 . 2.99 306 252 A 35 GLU HA A 35 GLU HGy 1.0 . 4.22 307 253 A 35 GLU HBy A 24 LYS HEx 1.0 . 5.50 308 253 A 24 LYS HEy A 35 GLU HBy 1.0 . 5.50 309 254 A 24 LYS HDy A 30 CYS HA 1.0 . 4.49 310 255 A 42 GLN HA A 42 GLN HGy 1.0 . 4.00 311 256 A 42 GLN HA A 42 GLN HGx 1.0 . 4.00 312 257 A 6 LEU HDx% A 6 LEU HA 1.0 . 4.03 313 258 A 6 LEU HG A 6 LEU H 1.0 . 4.43 314 259 A 62 ARG HBy A 62 ARG HDy 1.0 . 3.52 315 259 A 62 ARG HDy A 62 ARG HBx 1.0 . 3.52 316 260 A 62 ARG HBx A 62 ARG HDx 1.0 . 3.52 317 260 A 62 ARG HBy A 62 ARG HDx 1.0 . 3.52 318 261 A 22 LEU HDy% A 16 LYS HBx 1.0 . 4.40 319 261 A 16 LYS HBy A 22 LEU HDy% 1.0 . 4.40 320 262 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.71 321 262 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.71 322 262 A 16 LYS HBy A 16 LYS HEy 1.0 . 4.71 323 262 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.71 324 263 A 63 GLU HA A 29 SER HBx 1.0 . 4.71 325 263 A 29 SER HBy A 63 GLU HA 1.0 . 4.71 326 264 A 63 GLU HA A 29 SER HA 1.0 . 3.61 327 265 A 63 GLU HA A 63 GLU HGy 1.0 . 3.80 328 266 A 61 VAL HGy% A 29 SER HBx 1.0 . 4.33 329 266 A 61 VAL HGy% A 29 SER HBy 1.0 . 4.33 330 267 A 61 VAL HGy% A 54 SER HBx 1.0 . 3.61 331 267 A 61 VAL HGy% A 54 SER HBy 1.0 . 3.61 332 268 A 61 VAL HGx% A 54 SER HBx 1.0 . 3.64 333 268 A 54 SER HBy A 61 VAL HGx% 1.0 . 3.64 334 269 A 30 CYS HA A 24 LYS HEx 1.0 . 4.50 335 269 A 24 LYS HEy A 30 CYS HA 1.0 . 4.50 336 270 A 35 GLU HBy A 24 LYS H 1.0 . 5.04 337 271 A 32 LYS HA A 32 LYS HGx 1.0 . 4.17 338 271 A 32 LYS HGy A 32 LYS HA 1.0 . 4.17 339 272 A 35 GLU HA A 35 GLU HGx 1.0 . 4.22 340 273 A 17 LEU HDx% A 35 GLU HGy 1.0 . 5.37 341 274 A 17 LEU HDx% A 35 GLU HGx 1.0 . 5.37 342 275 A 23 CYS HBx A 37 CYS HA 1.0 . 4.29 343 276 A 66 ILE HD1% A 39 ALA HA 1.0 . 3.82 344 277 A 66 ILE HG1y A 39 ALA HA 1.0 . 5.13 345 278 A 66 ILE HD1% A 39 ALA HB% 1.0 . 3.81 346 279 A 10 ILE HG2% A 39 ALA HB% 1.0 . 3.56 347 280 A 39 ALA HA A 10 ILE HG2% 1.0 . 4.58 348 281 A 66 ILE HG2% A 39 ALA HB% 1.0 . 3.17 349 282 A 42 GLN HBx A 39 ALA HB% 1.0 . 4.21 350 283 A 39 ALA HA A 42 GLN HBx 1.0 . 5.33 351 284 A 39 ALA HB% A 45 TYR HBx 1.0 . 3.48 352 285 A 39 ALA HB% A 45 TYR HBy 1.0 . 3.38 353 286 A 39 ALA HA A 40 ASP HBx 1.0 . 4.84 354 287 A 38 LYS HA A 39 ALA HB% 1.0 . 4.09 355 288 A 39 ALA HA A 40 ASP HA 1.0 . 5.21 356 289 A 12 HIS HA A 39 ALA HB% 1.0 . 4.19 357 290 A 39 ALA HB% A 45 TYR HA 1.0 . 5.16 358 291 A 45 TYR HE% A 39 ALA HB% 1.0 . 4.62 359 292 A 45 TYR HD% A 39 ALA HB% 1.0 . 3.61 360 293 A 39 ALA H A 39 ALA HB% 1.0 . 3.13 361 294 A 40 ASP HA A 40 ASP HBy 1.0 . 2.85 362 295 A 45 TYR HD% A 41 ASP HBy 1.0 . 4.48 363 296 A 45 TYR HD% A 41 ASP HBx 1.0 . 4.48 364 297 A 43 LYS HA A 43 LYS HBx 1.0 . 2.61 365 297 A 43 LYS HA A 43 LYS HBy 1.0 . 2.61 366 298 A 43 LYS HA A 43 LYS HGx 1.0 . 3.96 367 299 A 43 LYS HA A 43 LYS HGy 1.0 . 3.96 368 300 A 43 LYS HEx A 43 LYS HGx 1.0 . 3.69 369 300 A 43 LYS HEy A 43 LYS HGx 1.0 . 3.69 370 301 A 43 LYS HA A 43 LYS HDy 1.0 . 5.45 371 302 A 43 LYS HA A 43 LYS HDx 1.0 . 5.45 372 303 A 43 LYS HEy A 43 LYS HGy 1.0 . 3.69 373 303 A 43 LYS HGy A 43 LYS HEx 1.0 . 3.69 374 304 A 44 THR HG2% A 68 ALA HB% 1.0 . 4.61 375 305 A 44 THR HG2% A 43 LYS H 1.0 . 5.01 376 306 A 44 THR HG2% A 45 TYR HD% 1.0 . 4.76 377 307 A 44 THR HG2% A 45 TYR HE% 1.0 . 4.45 378 308 A 45 TYR HA A 46 SER HBx 1.0 . 4.27 379 308 A 45 TYR HA A 46 SER HBy 1.0 . 4.27 380 309 A 45 TYR HA A 68 ALA HA 1.0 . 3.69 381 310 A 68 ALA HB% A 45 TYR HA 1.0 . 3.90 382 311 A 45 TYR HD% A 45 TYR HA 1.0 . 3.62 383 312 A 45 TYR HE% A 45 TYR HA 1.0 . 4.59 384 313 A 65 TYR HD% A 50 ALA HB% 1.0 . 3.94 385 314 A 65 TYR HE% A 50 ALA HB% 1.0 . 3.36 386 315 A 50 ALA HB% A 63 GLU H 1.0 . 4.87 387 316 A 50 ALA H A 50 ALA HB% 1.0 . 3.35 388 317 A 51 GLN H A 51 GLN HGx 1.0 . 4.77 389 318 A 52 THR HA A 52 THR HG2% 1.0 . 3.55 390 319 A 52 THR H A 52 THR HG2% 1.0 . 3.61 391 320 A 63 GLU H A 52 THR HG2% 1.0 . 4.23 392 321 A 51 GLN H A 52 THR HG2% 1.0 . 4.68 393 322 A 53 TRP HA A 61 VAL H 1.0 . 4.15 394 323 A 53 TRP HA A 60 PHE HD% 1.0 . 4.15 395 324 A 53 TRP HA A 53 TRP HE3 1.0 . 3.71 396 325 A 53 TRP HA A 60 PHE HA 1.0 . 3.43 397 326 A 53 TRP HA A 53 TRP HZ3 1.0 . 5.26 398 327 A 55 ALA HA A 58 GLY H 1.0 . 3.91 399 328 A 55 ALA HA A 53 TRP HZ2 1.0 . 4.79 400 329 A 55 ALA HA A 53 TRP HD1 1.0 . 4.87 401 330 A 55 ALA HA A 53 TRP HE1 1.0 . 3.60 402 331 A 55 ALA HB% A 55 ALA H 1.0 . 3.10 403 332 A 55 ALA HB% A 58 GLY H 1.0 . 4.78 404 333 A 55 ALA HB% A 54 SER HA 1.0 . 4.14 405 334 A 57 GLU HA A 58 GLY HAy 1.0 . 4.72 406 335 A 57 GLU HBx A 61 VAL HGx% 1.0 . 4.30 407 336 A 54 SER HBy A 57 GLU HGx 1.0 . 4.23 408 336 A 54 SER HBx A 57 GLU HGx 1.0 . 4.23 409 336 A 57 GLU HGy A 54 SER HBx 1.0 . 4.23 410 336 A 57 GLU HGy A 54 SER HBy 1.0 . 4.23 411 337 A 61 VAL HGy% A 57 GLU HGx 1.0 . 3.86 412 337 A 61 VAL HGy% A 57 GLU HGy 1.0 . 3.86 413 338 A 59 GLY H A 57 GLU HGx 1.0 . 4.55 414 338 A 59 GLY H A 57 GLU HGy 1.0 . 4.55 415 339 A 61 VAL HA A 62 ARG HA 1.0 . 4.41 416 340 A 61 VAL HB A 62 ARG H 1.0 . 3.27 417 341 A 61 VAL HB A 54 SER HBx 1.0 . 4.85 418 341 A 54 SER HBy A 61 VAL HB 1.0 . 4.85 419 342 A 61 VAL HGx% A 60 PHE HA 1.0 . 4.13 420 343 A 61 VAL HGy% A 62 ARG HA 1.0 . 4.47 421 344 A 61 VAL HGy% A 62 ARG H 1.0 . 4.03 422 345 A 61 VAL HGy% A 61 VAL HA 1.0 . 3.31 423 346 A 6 LEU HG A 63 GLU HBy 1.0 . 4.82 424 347 A 63 GLU HBy A 52 THR HG2% 1.0 . 5.35 425 348 A 63 GLU HA A 63 GLU HGx 1.0 . 3.80 426 349 A 65 TYR HA A 6 LEU H 1.0 . 5.50 427 350 A 48 GLY H A 65 TYR HA 1.0 . 5.50 428 351 A 65 TYR HD% A 65 TYR HA 1.0 . 3.89 429 352 A 66 ILE H A 65 TYR HA 1.0 . 3.24 430 353 A 27 GLY H A 65 TYR HA 1.0 . 4.61 431 354 A 65 TYR HA A 6 LEU HBy 1.0 . 4.29 432 355 A 6 LEU HBx A 65 TYR HA 1.0 . 3.67 433 356 A 66 ILE HG1x A 65 TYR HA 1.0 . 3.84 434 357 A 6 LEU HDx% A 65 TYR HBy 1.0 . 4.08 435 358 A 7 GLY HAx A 66 ILE HB 1.0 . 4.20 436 359 A 66 ILE HD1% A 66 ILE HB 1.0 . 3.64 437 360 A 65 TYR HBx A 66 ILE HB 1.0 . 5.50 438 361 A 66 ILE HD1% A 7 GLY HAx 1.0 . 4.24 439 362 A 66 ILE HA A 66 ILE HD1% 1.0 . 3.91 440 363 A 66 ILE HD1% A 7 GLY H 1.0 . 5.50 441 364 A 66 ILE HD1% A 10 ILE H 1.0 . 5.50 442 365 A 66 ILE HD1% A 39 ALA H 1.0 . 4.46 443 366 A 66 ILE HD1% A 66 ILE HG2% 1.0 . 3.21 444 367 A 66 ILE HD1% A 10 ILE HB 1.0 . 4.00 445 368 A 66 ILE HG2% A 39 ALA H 1.0 . 4.23 446 369 A 66 ILE HG2% A 10 ILE H 1.0 . 5.35 447 370 A 66 ILE HG2% A 10 ILE HG2% 1.0 . 3.39 448 371 A 66 ILE HG2% A 10 ILE HB 1.0 . 4.05 449 372 A 66 ILE HG2% A 45 TYR HBy 1.0 . 3.69 450 373 A 66 ILE HG2% A 45 TYR HBx 1.0 . 4.07 451 374 A 66 ILE HG2% A 7 GLY HAx 1.0 . 4.23 452 375 A 66 ILE HA A 66 ILE HG2% 1.0 . 3.41 453 376 A 47 SER HA A 66 ILE HG2% 1.0 . 4.06 454 377 A 66 ILE HG2% A 45 TYR HD% 1.0 . 3.78 455 378 A 66 ILE HG2% A 7 GLY H 1.0 . 5.50 456 379 A 66 ILE HG2% A 45 TYR H 1.0 . 5.50 457 380 A 66 ILE HG1y A 39 ALA H 1.0 . 5.06 458 381 A 7 GLY HAy A 10 ILE HG1x 1.0 . 4.51 459 382 A 68 ALA HB% A 67 CYS HBx 1.0 . 4.38 460 382 A 68 ALA HB% A 67 CYS HBy 1.0 . 4.38 461 383 A 68 ALA HB% A 67 CYS HA 1.0 . 4.06 462 384 A 68 ALA HB% A 71 SER HBx 1.0 . 4.07 463 385 A 68 ALA HB% A 71 SER HBy 1.0 . 4.07 464 386 A 44 THR HA A 68 ALA HB% 1.0 . 5.28 465 387 A 68 ALA HB% A 45 TYR HE% 1.0 . 3.44 466 388 A 68 ALA HB% A 45 TYR HD% 1.0 . 3.85 467 389 A 68 ALA HB% A 69 VAL HGy% 1.0 . 4.34 468 390 A 69 VAL HGy% A 69 VAL HA 1.0 . 2.62 469 391 A 55 ALA HB% A 56 MET HBy 1.0 . 4.52 470 392 A 68 ALA HB% A 69 VAL HA 1.0 . 4.37 471 393 A 69 VAL HGy% A 46 SER HBx 1.0 . 2.92 472 393 A 69 VAL HGy% A 46 SER HBy 1.0 . 2.92 473 394 A 69 VAL HGy% A 45 TYR HA 1.0 . 3.72 474 395 A 69 VAL HGy% A 68 ALA HA 1.0 . 4.01 475 396 A 45 TYR HD% A 69 VAL HGy% 1.0 . 4.78 476 397 A 69 VAL HGy% A 70 GLU H 1.0 . 3.62 477 398 A 70 GLU HA A 70 GLU HGx 1.0 . 3.41 478 398 A 70 GLU HGy A 70 GLU HA 1.0 . 3.41 479 399 A 69 VAL HGy% A 70 GLU HGx 1.0 . 4.60 480 399 A 70 GLU HGy A 69 VAL HGy% 1.0 . 4.60 481 400 A 68 ALA HB% A 70 GLU HGx 1.0 . 4.30 482 400 A 68 ALA HB% A 70 GLU HGy 1.0 . 4.30 483 401 A 73 MET HA A 73 MET HGx 1.0 . 3.89 484 402 A 10 ILE HG2% A 40 ASP HBy 1.0 . 5.43 485 403 A 10 ILE HG2% A 10 ILE HG1x 1.0 . 3.51 486 404 A 7 GLY HAx A 10 ILE HB 1.0 . 4.70 487 405 A 10 ILE HB A 7 GLY HAy 1.0 . 4.78 488 406 A 44 THR HA A 43 LYS HBx 1.0 . 4.28 489 406 A 44 THR HA A 43 LYS HBy 1.0 . 4.28 490 407 A 6 LEU HG A 26 PRO HBy 1.0 . 5.50 491 408 A 17 LEU HDx% A 35 GLU HBy 1.0 . 5.50 492 409 A 26 PRO HA A 8 TYR HBx 1.0 . 5.50 493 409 A 26 PRO HA A 8 TYR HBy 1.0 . 5.50 494 410 A 6 LEU HBx A 6 LEU HDx% 1.0 . 3.58 495 411 A 65 TYR HBx A 6 LEU HDx% 1.0 . 3.98 496 412 A 6 LEU HDx% A 5 ASN HA 1.0 . 4.82 497 413 A 16 LYS HA A 17 LEU HBy 1.0 . 4.48 498 414 A 65 TYR H A 64 CYS HBx 1.0 . 4.46 499 415 A 31 SER H A 31 SER HBy 1.0 . 3.71 500 416 A 37 CYS HBy A 37 CYS H 1.0 . 3.63 501 417 A 53 TRP HBx A 53 TRP H 1.0 . 3.62 502 418 A 49 CYS HBy A 49 CYS H 1.0 . 3.50 503 419 A 57 GLU HBy A 57 GLU H 1.0 . 3.61 504 420 A 53 TRP H A 53 TRP HBy 1.0 . 3.43 505 421 A 29 SER H A 29 SER HBx 1.0 . 2.65 506 421 A 29 SER HBy A 29 SER H 1.0 . 2.65 507 422 A 37 CYS H A 37 CYS HBx 1.0 . 3.70 508 423 A 36 CYS H A 36 CYS HBy 1.0 . 3.54 509 424 A 42 GLN H A 42 GLN HBy 1.0 . 3.70 510 425 A 44 THR HB A 44 THR H 1.0 . 3.67 511 426 A 56 MET H A 56 MET HGy 1.0 . 3.80 512 427 A 32 LYS HBx A 32 LYS H 1.0 . 3.77 513 428 A 41 ASP H A 41 ASP HBy 1.0 . 3.21 514 429 A 28 ASP H A 28 ASP HBx 1.0 . 3.55 515 430 A 72 SER H A 72 SER HBx 1.0 . 3.51 516 431 A 35 GLU H A 35 GLU HBx 1.0 . 3.77 517 432 A 62 ARG H A 62 ARG HBx 1.0 . 3.42 518 432 A 62 ARG HBy A 62 ARG H 1.0 . 3.42 519 433 A 69 VAL HB A 69 VAL H 1.0 . 3.42 520 434 A 43 LYS H A 43 LYS HBx 1.0 . 2.69 521 434 A 43 LYS H A 43 LYS HBy 1.0 . 2.69 522 435 A 63 GLU HBy A 63 GLU H 1.0 . 4.01 523 436 A 66 ILE H A 66 ILE HB 1.0 . 3.74 524 437 A 17 LEU HBy A 21 GLN H 1.0 . 3.50 525 438 A 61 VAL HB A 61 VAL H 1.0 . 4.09 526 439 A 45 TYR H A 45 TYR HBx 1.0 . 3.83 527 440 A 23 CYS HBx A 23 CYS H 1.0 . 3.59 528 441 A 46 SER H A 46 SER HBx 1.0 . 3.15 529 441 A 46 SER HBy A 46 SER H 1.0 . 3.15 530 442 A 71 SER H A 71 SER HBx 1.0 . 3.59 531 443 A 71 SER H A 71 SER HBy 1.0 . 3.59 532 444 A 69 VAL HB A 70 GLU H 1.0 . 3.10 533 445 A 19 ASN H A 19 ASN HBx 1.0 . 3.77 534 446 A 45 TYR H A 45 TYR HBy 1.0 . 3.88 535 447 A 24 LYS HBx A 24 LYS H 1.0 . 3.16 536 448 A 35 GLU HBy A 35 GLU H 1.0 . 3.90 537 449 A 36 CYS H A 36 CYS HBx 1.0 . 3.54 538 450 A 57 GLU HBx A 57 GLU H 1.0 . 3.04 539 451 A 64 CYS H A 64 CYS HBy 1.0 . 3.74 540 452 A 22 LEU H A 22 LEU HBx 1.0 . 3.46 541 453 A 68 ALA HB% A 68 ALA H 1.0 . 3.00 542 454 A 22 LEU H A 22 LEU HG 1.0 . 2.87 543 455 A 59 GLY H A 54 SER HBx 1.0 . 3.39 544 455 A 59 GLY H A 54 SER HBy 1.0 . 3.39 545 456 A 52 THR H A 62 ARG HA 1.0 . 4.39 546 457 A 70 GLU H A 70 GLU HBy 1.0 . 3.95 547 458 A 38 LYS HBx A 38 LYS H 1.0 . 3.36 548 459 A 42 GLN HBx A 42 GLN H 1.0 . 3.10 549 460 A 28 ASP H A 28 ASP HBy 1.0 . 3.55 550 461 A 56 MET HBy A 56 MET H 1.0 . 2.76 551 462 A 54 SER H A 54 SER HBx 1.0 . 3.03 552 462 A 54 SER HBy A 54 SER H 1.0 . 3.03 553 463 A 73 MET H A 73 MET HBy 1.0 . 3.63 554 464 A 19 ASN H A 19 ASN HBy 1.0 . 3.77 555 465 A 31 SER H A 31 SER HBx 1.0 . 3.71 556 466 A 23 CYS HBy A 23 CYS H 1.0 . 3.81 557 467 A 52 THR HB A 53 TRP H 1.0 . 3.83 558 468 A 67 CYS H A 67 CYS HBx 1.0 . 3.65 559 468 A 67 CYS H A 67 CYS HBy 1.0 . 3.65 560 469 A 40 ASP HBx A 40 ASP H 1.0 . 3.02 561 470 A 60 PHE H A 60 PHE HBx 1.0 . 3.62 562 471 A 73 MET H A 73 MET HBx 1.0 . 3.63 563 472 A 3 ARG H A 3 ARG HBy 1.0 . 3.73 564 473 A 20 GLY H A 19 ASN H 1.0 . 3.19 565 474 A 17 LEU H A 19 ASN H 1.0 . 4.69 566 475 A 17 LEU H A 21 GLN H 1.0 . 4.70 567 476 A 20 GLY H A 21 GLN H 1.0 . 3.07 568 477 A 18 PRO HA A 19 ASN H 1.0 . 3.57 569 478 A 18 PRO HDy A 19 ASN H 1.0 . 3.60 570 479 A 17 LEU HDy% A 19 ASN H 1.0 . 4.06 571 480 A 18 PRO HBx A 19 ASN H 1.0 . 4.63 572 481 A 17 LEU HBy A 19 ASN H 1.0 . 3.39 573 482 A 20 GLY H A 17 LEU HDx% 1.0 . 5.06 574 483 A 20 GLY H A 17 LEU HBy 1.0 . 3.80 575 484 A 20 GLY H A 21 GLN HGx 1.0 . 4.75 576 484 A 20 GLY H A 21 GLN HGy 1.0 . 4.75 577 485 A 20 GLY H A 19 ASN HBx 1.0 . 4.35 578 486 A 20 GLY H A 19 ASN HBy 1.0 . 4.35 579 487 A 17 LEU HDx% A 21 GLN H 1.0 . 4.41 580 488 A 20 GLY H A 18 PRO HDy 1.0 . 5.08 581 489 A 21 GLN H A 19 ASN HBx 1.0 . 4.87 582 490 A 21 GLN H A 19 ASN HBy 1.0 . 4.87 583 491 A 21 GLN H A 21 GLN HGx 1.0 . 2.89 584 491 A 21 GLN HGy A 21 GLN H 1.0 . 2.89 585 492 A 19 ASN H A 21 GLN H 1.0 . 3.99 586 493 A 22 LEU H A 21 GLN H 1.0 . 4.76 587 494 A 17 LEU H A 23 CYS H 1.0 . 4.37 588 495 A 19 ASN HA A 21 GLN H 1.0 . 4.75 589 496 A 21 GLN HA A 22 LEU H 1.0 . 2.78 590 497 A 22 LEU H A 21 GLN HBx 1.0 . 3.51 591 498 A 22 LEU H A 21 GLN HBy 1.0 . 3.51 592 499 A 22 LEU H A 21 GLN HGx 1.0 . 4.32 593 499 A 21 GLN HGy A 22 LEU H 1.0 . 4.32 594 500 A 22 LEU H A 22 LEU HDy% 1.0 . 3.66 595 501 A 17 LEU HDx% A 23 CYS H 1.0 . 3.57 596 502 A 17 LEU HDx% A 24 LYS H 1.0 . 4.08 597 503 A 23 CYS H A 22 LEU HBx 1.0 . 3.92 598 504 A 23 CYS H A 22 LEU HBy 1.0 . 3.33 599 505 A 24 LYS HDx A 25 GLU H 1.0 . 3.89 600 506 A 23 CYS H A 37 CYS HBx 1.0 . 5.33 601 507 A 24 LYS H A 37 CYS HBx 1.0 . 4.63 602 508 A 23 CYS HBx A 24 LYS H 1.0 . 3.35 603 509 A 23 CYS HBy A 24 LYS H 1.0 . 3.60 604 510 A 25 GLU HGy A 24 LYS H 1.0 . 5.50 605 511 A 23 CYS H A 22 LEU HA 1.0 . 2.89 606 512 A 16 LYS HA A 23 CYS H 1.0 . 4.23 607 513 A 23 CYS HA A 24 LYS H 1.0 . 3.18 608 514 A 24 LYS HA A 25 GLU H 1.0 . 3.06 609 515 A 24 LYS H A 37 CYS H 1.0 . 3.76 610 516 A 25 GLU H A 24 LYS H 1.0 . 4.79 611 517 A 23 CYS H A 24 LYS H 1.0 . 4.82 612 518 A 28 ASP H A 25 GLU H 1.0 . 4.72 613 519 A 36 CYS H A 24 LYS H 1.0 . 4.94 614 520 A 36 CYS HA A 24 LYS H 1.0 . 3.90 615 521 A 25 GLU H A 24 LYS HEx 1.0 . 4.23 616 521 A 24 LYS HEy A 25 GLU H 1.0 . 4.23 617 522 A 25 GLU HGy A 25 GLU H 1.0 . 3.39 618 523 A 25 GLU HGx A 25 GLU H 1.0 . 3.58 619 524 A 24 LYS HBx A 25 GLU H 1.0 . 4.39 620 525 A 25 GLU H A 24 LYS HDy 1.0 . 4.69 621 526 A 28 ASP H A 27 GLY H 1.0 . 3.34 622 527 A 27 GLY H A 64 CYS HA 1.0 . 4.57 623 528 A 29 SER H A 28 ASP HBy 1.0 . 4.19 624 529 A 27 GLY H A 26 PRO HBy 1.0 . 4.32 625 530 A 63 GLU HBy A 27 GLY H 1.0 . 4.59 626 531 A 6 LEU HBx A 27 GLY H 1.0 . 3.88 627 532 A 27 GLY H A 26 PRO HBx 1.0 . 4.10 628 533 A 6 LEU HG A 27 GLY H 1.0 . 3.68 629 534 A 30 CYS H A 29 SER H 1.0 . 5.11 630 535 A 30 CYS H A 62 ARG H 1.0 . 4.10 631 536 A 30 CYS H A 31 SER H 1.0 . 4.77 632 537 A 30 CYS H A 63 GLU HA 1.0 . 3.97 633 538 A 30 CYS H A 29 SER HA 1.0 . 3.11 634 539 A 28 ASP HA A 29 SER H 1.0 . 2.88 635 540 A 30 CYS H A 29 SER HBx 1.0 . 3.20 636 540 A 29 SER HBy A 30 CYS H 1.0 . 3.20 637 541 A 34 ASP H A 34 ASP HBx 1.0 . 3.72 638 542 A 61 VAL HB A 30 CYS H 1.0 . 4.83 639 543 A 30 CYS H A 62 ARG HBx 1.0 . 3.80 640 543 A 62 ARG HBy A 30 CYS H 1.0 . 3.80 641 544 A 30 CYS H A 61 VAL HGx% 1.0 . 5.50 642 545 A 61 VAL HB A 29 SER H 1.0 . 5.46 643 546 A 33 ARG H A 32 LYS H 1.0 . 4.50 644 547 A 31 SER H A 32 LYS H 1.0 . 2.90 645 548 A 32 LYS H A 34 ASP H 1.0 . 5.01 646 549 A 30 CYS HA A 32 LYS H 1.0 . 4.45 647 550 A 30 CYS HA A 31 SER H 1.0 . 3.31 648 551 A 32 LYS H A 31 SER HBy 1.0 . 3.81 649 552 A 32 LYS H A 31 SER HBx 1.0 . 3.81 650 553 A 30 CYS HBy A 32 LYS H 1.0 . 4.03 651 554 A 30 CYS HBx A 32 LYS H 1.0 . 3.57 652 555 A 30 CYS HBy A 31 SER H 1.0 . 3.94 653 556 A 30 CYS HBx A 31 SER H 1.0 . 3.62 654 557 A 33 ARG H A 33 ARG HDx 1.0 . 5.09 655 557 A 33 ARG H A 33 ARG HDy 1.0 . 5.09 656 558 A 49 CYS HBy A 33 ARG H 1.0 . 4.69 657 559 A 35 GLU HBy A 31 SER H 1.0 . 4.51 658 560 A 35 GLU HBx A 31 SER H 1.0 . 4.49 659 561 A 35 GLU HBx A 32 LYS H 1.0 . 4.04 660 562 A 32 LYS HBx A 31 SER H 1.0 . 4.90 661 563 A 31 SER H A 32 LYS HGx 1.0 . 4.99 662 563 A 32 LYS HGy A 31 SER H 1.0 . 4.99 663 564 A 32 LYS H A 32 LYS HGx 1.0 . 3.65 664 564 A 32 LYS HGy A 32 LYS H 1.0 . 3.65 665 565 A 33 ARG H A 34 ASP H 1.0 . 3.68 666 566 A 35 GLU H A 34 ASP H 1.0 . 3.34 667 567 A 32 LYS HA A 34 ASP H 1.0 . 4.20 668 568 A 34 ASP H A 33 ARG HDx 1.0 . 5.17 669 568 A 33 ARG HDy A 34 ASP H 1.0 . 5.17 670 569 A 35 GLU HBy A 34 ASP H 1.0 . 4.88 671 570 A 34 ASP H A 32 LYS HGx 1.0 . 4.71 672 570 A 32 LYS HGy A 34 ASP H 1.0 . 4.71 673 571 A 33 ARG H A 33 ARG HGx 1.0 . 4.07 674 571 A 33 ARG HGy A 33 ARG H 1.0 . 4.07 675 572 A 34 ASP H A 33 ARG HGx 1.0 . 4.23 676 572 A 33 ARG HGy A 34 ASP H 1.0 . 4.23 677 573 A 32 LYS HBx A 34 ASP H 1.0 . 4.01 678 574 A 32 LYS HBx A 35 GLU H 1.0 . 4.27 679 575 A 35 GLU H A 32 LYS H 1.0 . 4.89 680 576 A 33 ARG HA A 36 CYS H 1.0 . 4.52 681 577 A 30 CYS HBy A 36 CYS H 1.0 . 4.62 682 578 A 30 CYS HBx A 35 GLU H 1.0 . 5.50 683 579 A 35 GLU HBy A 36 CYS H 1.0 . 3.81 684 580 A 36 CYS H A 35 GLU HBx 1.0 . 4.13 685 581 A 36 CYS H A 33 ARG HGx 1.0 . 4.85 686 581 A 33 ARG HGy A 36 CYS H 1.0 . 4.85 687 582 A 17 LEU HDx% A 35 GLU H 1.0 . 5.50 688 583 A 17 LEU HDy% A 35 GLU H 1.0 . 5.50 689 584 A 17 LEU HDx% A 36 CYS H 1.0 . 5.50 690 585 A 17 LEU HDy% A 36 CYS H 1.0 . 5.50 691 586 A 37 CYS H A 36 CYS HBx 1.0 . 4.72 692 587 A 38 LYS H A 38 LYS HGy 1.0 . 3.54 693 588 A 24 LYS HBx A 37 CYS H 1.0 . 4.44 694 589 A 24 LYS HBx A 36 CYS H 1.0 . 4.52 695 590 A 37 CYS HBx A 38 LYS H 1.0 . 3.92 696 591 A 15 VAL HGy% A 38 LYS H 1.0 . 4.65 697 592 A 23 CYS HBx A 38 LYS H 1.0 . 5.44 698 593 A 23 CYS HBx A 37 CYS H 1.0 . 4.17 699 594 A 37 CYS HBy A 38 LYS H 1.0 . 3.44 700 595 A 37 CYS H A 36 CYS HBy 1.0 . 4.72 701 596 A 37 CYS HA A 38 LYS H 1.0 . 2.97 702 597 A 36 CYS HA A 37 CYS H 1.0 . 3.56 703 598 A 37 CYS H A 38 LYS H 1.0 . 4.67 704 599 A 39 ALA H A 40 ASP H 1.0 . 5.02 705 600 A 39 ALA H A 47 SER H 1.0 . 5.38 706 601 A 39 ALA H A 38 LYS H 1.0 . 4.74 707 602 A 39 ALA H A 42 GLN H 1.0 . 4.91 708 603 A 36 CYS H A 37 CYS H 1.0 . 4.60 709 604 A 39 ALA HA A 40 ASP H 1.0 . 3.01 710 605 A 66 ILE HD1% A 40 ASP H 1.0 . 4.89 711 606 A 10 ILE HG2% A 40 ASP H 1.0 . 4.33 712 607 A 66 ILE HG2% A 40 ASP H 1.0 . 5.24 713 608 A 39 ALA HB% A 40 ASP H 1.0 . 3.25 714 609 A 39 ALA H A 38 LYS HBx 1.0 . 4.35 715 610 A 38 LYS HBy A 39 ALA H 1.0 . 3.99 716 611 A 39 ALA H A 42 GLN HBx 1.0 . 4.34 717 612 A 12 HIS HBy A 40 ASP H 1.0 . 3.90 718 613 A 38 LYS HA A 39 ALA H 1.0 . 3.01 719 614 A 12 HIS HA A 40 ASP H 1.0 . 3.68 720 615 A 42 GLN H A 40 ASP H 1.0 . 4.87 721 616 A 41 ASP H A 40 ASP H 1.0 . 3.34 722 617 A 42 GLN H A 41 ASP H 1.0 . 4.17 723 618 A 43 LYS H A 42 GLN H 1.0 . 3.32 724 619 A 42 GLN H A 44 THR H 1.0 . 4.51 725 620 A 45 TYR HD% A 42 GLN H 1.0 . 5.04 726 621 A 45 TYR HD% A 41 ASP H 1.0 . 3.83 727 622 A 45 TYR HE% A 41 ASP H 1.0 . 4.92 728 623 A 42 GLN H A 41 ASP HA 1.0 . 2.85 729 624 A 42 GLN HA A 41 ASP H 1.0 . 4.93 730 625 A 12 HIS HA A 41 ASP H 1.0 . 5.21 731 626 A 40 ASP HA A 42 GLN H 1.0 . 4.58 732 627 A 39 ALA HA A 41 ASP H 1.0 . 4.44 733 628 A 42 GLN H A 41 ASP HBy 1.0 . 4.71 734 629 A 42 GLN H A 42 GLN HGy 1.0 . 3.62 735 630 A 41 ASP H A 41 ASP HBx 1.0 . 3.21 736 631 A 42 GLN H A 42 GLN HGx 1.0 . 3.62 737 632 A 40 ASP HBx A 41 ASP H 1.0 . 3.21 738 633 A 42 GLN H A 41 ASP HBx 1.0 . 4.71 739 634 A 42 GLN HBx A 41 ASP H 1.0 . 5.28 740 635 A 39 ALA HB% A 41 ASP H 1.0 . 3.20 741 636 A 39 ALA HB% A 42 GLN H 1.0 . 4.94 742 637 A 10 ILE HG2% A 41 ASP H 1.0 . 4.53 743 638 A 43 LYS H A 41 ASP H 1.0 . 5.19 744 639 A 43 LYS H A 44 THR H 1.0 . 2.84 745 640 A 45 TYR H A 43 LYS H 1.0 . 4.11 746 641 A 45 TYR HD% A 44 THR H 1.0 . 4.80 747 642 A 44 THR HA A 43 LYS H 1.0 . 5.46 748 643 A 43 LYS H A 41 ASP HA 1.0 . 3.59 749 644 A 42 GLN HA A 44 THR H 1.0 . 4.49 750 645 A 44 THR H A 41 ASP HA 1.0 . 4.76 751 646 A 42 GLN HBy A 44 THR H 1.0 . 5.50 752 647 A 44 THR H A 43 LYS HBx 1.0 . 2.93 753 647 A 43 LYS HBy A 44 THR H 1.0 . 2.93 754 648 A 44 THR H A 43 LYS HDy 1.0 . 5.50 755 649 A 44 THR H A 43 LYS HDx 1.0 . 5.50 756 650 A 43 LYS H A 43 LYS HGx 1.0 . 4.30 757 651 A 43 LYS H A 43 LYS HGy 1.0 . 4.30 758 652 A 44 THR HG2% A 44 THR H 1.0 . 3.53 759 653 A 69 VAL HGy% A 44 THR H 1.0 . 5.18 760 654 A 45 TYR H A 46 SER H 1.0 . 4.64 761 655 A 45 TYR H A 44 THR H 1.0 . 3.14 762 656 A 45 TYR HD% A 45 TYR H 1.0 . 3.53 763 657 A 45 TYR HE% A 45 TYR H 1.0 . 4.64 764 658 A 47 SER H A 46 SER H 1.0 . 4.64 765 659 A 45 TYR HD% A 46 SER H 1.0 . 4.37 766 660 A 45 TYR HA A 46 SER H 1.0 . 3.03 767 661 A 45 TYR H A 42 GLN HA 1.0 . 3.98 768 662 A 68 ALA HA A 46 SER H 1.0 . 4.12 769 663 A 45 TYR H A 43 LYS HA 1.0 . 5.02 770 664 A 44 THR HB A 45 TYR H 1.0 . 3.64 771 665 A 46 SER H A 67 CYS HBx 1.0 . 4.50 772 665 A 67 CYS HBy A 46 SER H 1.0 . 4.50 773 666 A 45 TYR HBx A 46 SER H 1.0 . 4.09 774 667 A 45 TYR HBy A 46 SER H 1.0 . 3.93 775 668 A 45 TYR H A 42 GLN HBy 1.0 . 5.26 776 669 A 45 TYR H A 43 LYS HBx 1.0 . 4.73 777 669 A 45 TYR H A 43 LYS HBy 1.0 . 4.73 778 670 A 45 TYR H A 39 ALA HB% 1.0 . 4.32 779 671 A 68 ALA HB% A 46 SER H 1.0 . 4.96 780 672 A 68 ALA HB% A 45 TYR H 1.0 . 5.37 781 673 A 66 ILE HG2% A 46 SER H 1.0 . 4.03 782 674 A 69 VAL HGy% A 46 SER H 1.0 . 3.60 783 675 A 44 THR HG2% A 45 TYR H 1.0 . 4.15 784 676 A 47 SER H A 46 SER HA 1.0 . 3.09 785 677 A 47 SER H A 46 SER HBx 1.0 . 3.70 786 677 A 47 SER H A 46 SER HBy 1.0 . 3.70 787 678 A 56 MET H A 57 GLU HGx 1.0 . 4.46 788 678 A 57 GLU HGy A 56 MET H 1.0 . 4.46 789 679 A 55 ALA HB% A 56 MET H 1.0 . 3.06 790 680 A 54 SER HA A 56 MET H 1.0 . 4.04 791 681 A 65 TYR HE% A 48 GLY H 1.0 . 4.83 792 682 A 55 ALA H A 56 MET H 1.0 . 3.27 793 683 A 48 GLY H A 49 CYS H 1.0 . 4.67 794 684 A 65 TYR HD% A 48 GLY H 1.0 . 4.53 795 685 A 65 TYR HD% A 50 ALA H 1.0 . 4.33 796 686 A 65 TYR HE% A 50 ALA H 1.0 . 4.54 797 687 A 50 ALA H A 63 GLU H 1.0 . 3.91 798 688 A 65 TYR HE% A 49 CYS H 1.0 . 4.53 799 689 A 65 TYR HD% A 49 CYS H 1.0 . 5.50 800 690 A 66 ILE HA A 48 GLY H 1.0 . 4.54 801 691 A 49 CYS H A 48 GLY HAy 1.0 . 3.36 802 692 A 49 CYS H A 48 GLY HAx 1.0 . 3.36 803 693 A 49 CYS H A 33 ARG HGx 1.0 . 4.02 804 693 A 33 ARG HGy A 49 CYS H 1.0 . 4.02 805 694 A 65 TYR HBx A 48 GLY H 1.0 . 5.50 806 695 A 33 ARG H A 49 CYS H 1.0 . 5.50 807 696 A 50 ALA H A 49 CYS HBy 1.0 . 4.39 808 697 A 52 THR H A 63 GLU H 1.0 . 4.32 809 698 A 52 THR H A 53 TRP H 1.0 . 4.29 810 699 A 52 THR H A 51 GLN H 1.0 . 4.70 811 700 A 52 THR H A 60 PHE HE% 1.0 . 5.50 812 701 A 52 THR H A 60 PHE HD% 1.0 . 5.03 813 702 A 51 GLN H A 50 ALA HA 1.0 . 3.33 814 703 A 52 THR H A 51 GLN HA 1.0 . 3.44 815 704 A 52 THR H A 60 PHE HA 1.0 . 3.95 816 705 A 52 THR H A 54 SER HBx 1.0 . 5.18 817 705 A 52 THR H A 54 SER HBy 1.0 . 5.18 818 706 A 52 THR H A 60 PHE HBx 1.0 . 4.58 819 707 A 50 ALA HB% A 51 GLN H 1.0 . 3.28 820 708 A 52 THR H A 61 VAL HGx% 1.0 . 5.39 821 709 A 61 VAL HGy% A 52 THR H 1.0 . 4.82 822 710 A 53 TRP H A 54 SER H 1.0 . 4.63 823 711 A 55 ALA H A 54 SER H 1.0 . 4.61 824 712 A 61 VAL H A 54 SER H 1.0 . 4.48 825 713 A 60 PHE HD% A 53 TRP H 1.0 . 4.32 826 714 A 59 GLY H A 54 SER H 1.0 . 4.34 827 715 A 52 THR HA A 53 TRP H 1.0 . 3.35 828 716 A 60 PHE HA A 53 TRP H 1.0 . 4.59 829 717 A 55 ALA H A 54 SER HA 1.0 . 2.99 830 718 A 53 TRP HA A 54 SER H 1.0 . 3.03 831 719 A 53 TRP H A 54 SER HBx 1.0 . 5.50 832 719 A 54 SER HBy A 53 TRP H 1.0 . 5.50 833 720 A 53 TRP HBx A 54 SER H 1.0 . 4.54 834 721 A 53 TRP HBy A 54 SER H 1.0 . 4.36 835 722 A 57 GLU HBx A 54 SER H 1.0 . 4.57 836 723 A 52 THR HG2% A 53 TRP H 1.0 . 4.06 837 724 A 57 GLU H A 56 MET H 1.0 . 3.15 838 725 A 55 ALA H A 57 GLU H 1.0 . 4.59 839 726 A 58 GLY H A 57 GLU H 1.0 . 3.09 840 727 A 58 GLY H A 56 MET H 1.0 . 4.51 841 728 A 59 GLY H A 57 GLU H 1.0 . 4.35 842 729 A 54 SER HA A 57 GLU H 1.0 . 4.65 843 730 A 56 MET HA A 58 GLY H 1.0 . 4.60 844 731 A 57 GLU H A 54 SER HBx 1.0 . 3.48 845 731 A 54 SER HBy A 57 GLU H 1.0 . 3.48 846 732 A 56 MET H A 54 SER HBx 1.0 . 4.53 847 732 A 54 SER HBy A 56 MET H 1.0 . 4.53 848 733 A 57 GLU HBy A 58 GLY H 1.0 . 4.01 849 734 A 57 GLU HBx A 58 GLY H 1.0 . 3.50 850 735 A 58 GLY H A 57 GLU HGx 1.0 . 4.38 851 735 A 57 GLU HGy A 58 GLY H 1.0 . 4.38 852 736 A 57 GLU H A 57 GLU HGx 1.0 . 3.27 853 736 A 57 GLU HGy A 57 GLU H 1.0 . 3.27 854 737 A 56 MET HBy A 57 GLU H 1.0 . 3.06 855 738 A 61 VAL HGy% A 57 GLU H 1.0 . 4.74 856 739 A 61 VAL HGy% A 58 GLY H 1.0 . 5.29 857 740 A 55 ALA H A 56 MET HBy 1.0 . 4.84 858 741 A 59 GLY H A 58 GLY H 1.0 . 3.11 859 742 A 60 PHE HD% A 60 PHE H 1.0 . 3.30 860 743 A 54 SER H A 60 PHE H 1.0 . 4.71 861 744 A 61 VAL H A 60 PHE HD% 1.0 . 4.14 862 745 A 61 VAL H A 62 ARG H 1.0 . 4.72 863 746 A 61 VAL H A 60 PHE H 1.0 . 4.61 864 747 A 59 GLY H A 60 PHE H 1.0 . 4.32 865 748 A 53 TRP HE3 A 60 PHE H 1.0 . 4.86 866 749 A 59 GLY H A 58 GLY HAx 1.0 . 3.53 867 750 A 60 PHE H A 59 GLY HAy 1.0 . 3.24 868 751 A 61 VAL H A 54 SER HBx 1.0 . 4.82 869 751 A 54 SER HBy A 61 VAL H 1.0 . 4.82 870 752 A 53 TRP HA A 60 PHE H 1.0 . 4.64 871 753 A 60 PHE H A 59 GLY HAx 1.0 . 3.24 872 754 A 61 VAL H A 60 PHE HBx 1.0 . 3.66 873 755 A 59 GLY H A 57 GLU HBx 1.0 . 3.69 874 756 A 59 GLY H A 57 GLU HBy 1.0 . 4.30 875 757 A 63 GLU H A 62 ARG HBx 1.0 . 4.08 876 757 A 62 ARG HBy A 63 GLU H 1.0 . 4.08 877 758 A 62 ARG H A 62 ARG HGx 1.0 . 4.53 878 759 A 62 ARG H A 62 ARG HGy 1.0 . 4.53 879 760 A 61 VAL HGy% A 59 GLY H 1.0 . 5.10 880 761 A 61 VAL HGy% A 60 PHE H 1.0 . 5.36 881 762 A 61 VAL HGx% A 61 VAL H 1.0 . 3.35 882 763 A 52 THR HG2% A 61 VAL H 1.0 . 5.23 883 764 A 61 VAL HGy% A 63 GLU H 1.0 . 4.95 884 765 A 61 VAL HA A 62 ARG H 1.0 . 2.83 885 766 A 62 ARG H A 51 GLN HA 1.0 . 4.38 886 767 A 61 VAL H A 60 PHE HA 1.0 . 3.41 887 768 A 52 THR HA A 61 VAL H 1.0 . 5.16 888 769 A 61 VAL H A 62 ARG HA 1.0 . 5.50 889 770 A 63 GLU H A 51 GLN HA 1.0 . 3.96 890 771 A 29 SER HA A 63 GLU H 1.0 . 5.02 891 772 A 64 CYS H A 63 GLU HA 1.0 . 3.17 892 773 A 64 CYS H A 30 CYS H 1.0 . 5.33 893 774 A 6 LEU HDx% A 65 TYR H 1.0 . 4.87 894 775 A 66 ILE HG1x A 65 TYR H 1.0 . 5.08 895 776 A 65 TYR H A 36 CYS HBx 1.0 . 5.50 896 777 A 65 TYR H A 64 CYS HBy 1.0 . 4.46 897 778 A 65 TYR H A 36 CYS HBy 1.0 . 5.50 898 779 A 49 CYS HA A 65 TYR H 1.0 . 4.02 899 780 A 48 GLY H A 65 TYR H 1.0 . 3.60 900 781 A 65 TYR HD% A 65 TYR H 1.0 . 3.48 901 782 A 65 TYR HE% A 65 TYR H 1.0 . 4.62 902 783 A 64 CYS H A 65 TYR H 1.0 . 4.64 903 784 A 66 ILE H A 7 GLY H 1.0 . 4.80 904 785 A 65 TYR HD% A 66 ILE H 1.0 . 3.89 905 786 A 66 ILE H A 7 GLY HAx 1.0 . 4.01 906 787 A 66 ILE H A 65 TYR HBy 1.0 . 4.20 907 788 A 65 TYR HBx A 66 ILE H 1.0 . 3.69 908 789 A 66 ILE H A 6 LEU HDx% 1.0 . 3.97 909 790 A 66 ILE HD1% A 66 ILE H 1.0 . 4.27 910 791 A 66 ILE H A 67 CYS H 1.0 . 4.75 911 792 A 67 CYS H A 46 SER H 1.0 . 4.09 912 793 A 69 VAL H A 68 ALA H 1.0 . 4.65 913 794 A 65 TYR HE% A 67 CYS H 1.0 . 5.30 914 795 A 65 TYR HD% A 67 CYS H 1.0 . 3.93 915 796 A 45 TYR HE% A 68 ALA H 1.0 . 5.20 916 797 A 45 TYR HD% A 68 ALA H 1.0 . 4.34 917 798 A 67 CYS H A 45 TYR HA 1.0 . 4.81 918 799 A 66 ILE HA A 67 CYS H 1.0 . 3.47 919 800 A 67 CYS HA A 68 ALA H 1.0 . 3.10 920 801 A 68 ALA H A 71 SER HBx 1.0 . 5.50 921 802 A 68 ALA H A 71 SER HBy 1.0 . 5.50 922 803 A 67 CYS H A 46 SER HBx 1.0 . 4.57 923 803 A 67 CYS H A 46 SER HBy 1.0 . 4.57 924 804 A 68 ALA H A 67 CYS HBx 1.0 . 3.20 925 804 A 67 CYS HBy A 68 ALA H 1.0 . 3.20 926 805 A 45 TYR HBx A 68 ALA H 1.0 . 4.98 927 806 A 66 ILE HG2% A 67 CYS H 1.0 . 3.54 928 807 A 67 CYS H A 66 ILE HB 1.0 . 4.63 929 808 A 66 ILE HG1y A 67 CYS H 1.0 . 4.63 930 809 A 69 VAL H A 67 CYS HBx 1.0 . 5.50 931 809 A 67 CYS HBy A 69 VAL H 1.0 . 5.50 932 810 A 71 SER H A 68 ALA H 1.0 . 5.08 933 811 A 69 VAL H A 46 SER H 1.0 . 4.75 934 812 A 70 GLU H A 69 VAL H 1.0 . 3.88 935 813 A 45 TYR HE% A 69 VAL H 1.0 . 5.39 936 814 A 45 TYR HD% A 69 VAL H 1.0 . 4.05 937 815 A 68 ALA HA A 69 VAL H 1.0 . 3.35 938 816 A 45 TYR HA A 69 VAL H 1.0 . 3.42 939 817 A 70 GLU H A 70 GLU HGx 1.0 . 3.50 940 817 A 70 GLU HGy A 70 GLU H 1.0 . 3.50 941 818 A 68 ALA HB% A 70 GLU H 1.0 . 3.87 942 819 A 68 ALA HB% A 69 VAL H 1.0 . 3.42 943 820 A 69 VAL HGy% A 69 VAL H 1.0 . 2.75 944 821 A 44 THR HG2% A 69 VAL H 1.0 . 5.21 945 822 A 44 THR HG2% A 70 GLU H 1.0 . 5.35 946 823 A 70 GLU H A 71 SER H 1.0 . 3.06 947 824 A 72 SER H A 72 SER HBy 1.0 . 3.51 948 825 A 72 SER H A 71 SER HA 1.0 . 2.77 949 826 A 69 VAL HA A 71 SER H 1.0 . 4.79 950 827 A 71 SER H A 70 GLU HBx 1.0 . 4.27 951 828 A 71 SER H A 70 GLU HBy 1.0 . 4.27 952 829 A 71 SER H A 70 GLU HGx 1.0 . 4.31 953 829 A 70 GLU HGy A 71 SER H 1.0 . 4.31 954 830 A 68 ALA HB% A 71 SER H 1.0 . 3.73 955 831 A 69 VAL HGy% A 71 SER H 1.0 . 5.25 956 832 A 72 SER H A 73 MET H 1.0 . 3.43 957 833 A 74 CYS H A 73 MET H 1.0 . 3.39 958 834 A 74 CYS H A 72 SER H 1.0 . 4.68 959 835 A 74 CYS H A 71 SER HBx 1.0 . 5.50 960 836 A 74 CYS H A 71 SER HBy 1.0 . 5.50 961 837 A 74 CYS H A 74 CYS HBy 1.0 . 3.80 962 838 A 74 CYS H A 74 CYS HBx 1.0 . 3.80 963 839 A 74 CYS H A 73 MET HBy 1.0 . 4.59 964 840 A 74 CYS H A 73 MET HBx 1.0 . 4.59 965 841 A 68 ALA HB% A 73 MET H 1.0 . 5.50 966 842 A 2 ASN HD2x A 2 ASN HBx 1.0 . 3.84 967 843 A 19 ASN HD2x A 19 ASN HBx 1.0 . 4.07 968 844 A 19 ASN HD2y A 19 ASN HBx 1.0 . 4.07 969 845 A 19 ASN HD2y A 19 ASN HBy 1.0 . 4.07 970 846 A 17 LEU HDy% A 19 ASN HD2x 1.0 . 5.50 971 847 A 17 LEU HDy% A 19 ASN HD2y 1.0 . 5.50 972 848 A 56 MET H A 56 MET HGx 1.0 . 3.80 973 849 A 24 LYS HBy A 24 LYS H 1.0 . 3.61 974 850 A 49 CYS HBx A 49 CYS H 1.0 . 3.44 975 851 A 56 MET HBx A 56 MET H 1.0 . 3.76 976 852 A 56 MET HBx A 57 GLU H 1.0 . 3.40 977 853 A 3 ARG H A 2 ASN HBx 1.0 . 3.98 978 854 A 4 TRP H A 4 TRP HBx 1.0 . 3.65 979 855 A 4 TRP H A 4 TRP HD1 1.0 . 3.68 980 856 A 4 TRP HE3 A 4 TRP H 1.0 . 4.27 981 857 A 3 ARG H A 4 TRP H 1.0 . 3.83 982 858 A 4 TRP H A 4 TRP HBy 1.0 . 3.65 983 859 A 6 LEU H A 5 ASN H 1.0 . 3.48 984 860 A 5 ASN H A 5 ASN HD2x 1.0 . 4.75 985 861 A 5 ASN H A 5 ASN HBy 1.0 . 3.77 986 862 A 5 ASN H A 5 ASN HBx 1.0 . 3.77 987 863 A 5 ASN H A 4 TRP HBx 1.0 . 3.95 988 864 A 5 ASN H A 4 TRP HBy 1.0 . 3.95 989 865 A 6 LEU H A 7 GLY H 1.0 . 3.75 990 866 A 5 ASN H A 7 GLY H 1.0 . 5.11 991 867 A 4 TRP HA A 7 GLY H 1.0 . 4.73 992 868 A 10 ILE HD1% A 7 GLY H 1.0 . 4.69 993 869 A 10 ILE HG1x A 7 GLY H 1.0 . 5.36 994 870 A 6 LEU HBx A 7 GLY H 1.0 . 4.59 995 871 A 8 TYR HD% A 8 TYR H 1.0 . 4.44 996 872 A 9 GLY H A 8 TYR H 1.0 . 4.05 997 873 A 12 HIS HE1 A 8 TYR H 1.0 . 4.99 998 874 A 4 TRP HA A 8 TYR H 1.0 . 3.86 999 875 A 8 TYR H A 8 TYR HBx 1.0 . 3.89 1000 875 A 8 TYR HBy A 8 TYR H 1.0 . 3.89 1001 876 A 26 PRO HBy A 8 TYR H 1.0 . 5.06 1002 877 A 10 ILE HD1% A 8 TYR H 1.0 . 5.38 1003 878 A 10 ILE HG1x A 8 TYR H 1.0 . 5.35 1004 879 A 26 PRO HBx A 8 TYR H 1.0 . 4.04 1005 880 A 66 ILE HB A 8 TYR H 1.0 . 4.67 1006 881 A 6 LEU HBx A 8 TYR H 1.0 . 4.55 1007 882 A 8 TYR HD% A 9 GLY H 1.0 . 4.82 1008 883 A 4 TRP HE3 A 9 GLY H 1.0 . 4.02 1009 884 A 9 GLY H A 8 TYR HBx 1.0 . 4.61 1010 884 A 8 TYR HBy A 9 GLY H 1.0 . 4.61 1011 885 A 4 TRP HA A 9 GLY H 1.0 . 4.82 1012 886 A 8 TYR HA A 10 ILE H 1.0 . 4.53 1013 887 A 9 GLY H A 10 ILE H 1.0 . 3.60 1014 888 A 12 HIS HE1 A 10 ILE H 1.0 . 5.06 1015 889 A 10 ILE HG2% A 10 ILE H 1.0 . 3.81 1016 890 A 10 ILE H A 10 ILE HG1x 1.0 . 3.49 1017 891 A 10 ILE HG1y A 10 ILE H 1.0 . 3.45 1018 892 A 10 ILE HB A 10 ILE H 1.0 . 3.00 1019 893 A 10 ILE H A 66 ILE HB 1.0 . 5.50 1020 894 A 12 HIS H A 11 PRO HBx 1.0 . 4.17 1021 895 A 12 HIS H A 11 PRO HBy 1.0 . 4.17 1022 896 A 12 HIS HBx A 12 HIS H 1.0 . 3.75 1023 897 A 12 HIS H A 11 PRO HA 1.0 . 2.65 1024 898 A 12 HIS HD2 A 13 LYS H 1.0 . 4.95 1025 899 A 39 ALA HA A 13 LYS H 1.0 . 4.30 1026 900 A 12 HIS HA A 13 LYS H 1.0 . 3.38 1027 901 A 12 HIS HBx A 13 LYS H 1.0 . 3.46 1028 902 A 16 LYS H A 15 VAL HB 1.0 . 2.87 1029 903 A 14 GLN H A 14 GLN HBy 1.0 . 3.29 1030 904 A 14 GLN H A 14 GLN HBx 1.0 . 3.29 1031 905 A 14 GLN H A 13 LYS HBx 1.0 . 3.87 1032 905 A 13 LYS HBy A 14 GLN H 1.0 . 3.87 1033 906 A 15 VAL HGx% A 14 GLN H 1.0 . 4.41 1034 907 A 13 LYS HA A 14 GLN H 1.0 . 2.56 1035 908 A 15 VAL H A 14 GLN H 1.0 . 4.82 1036 909 A 13 LYS H A 14 GLN H 1.0 . 4.50 1037 910 A 15 VAL H A 15 VAL HGy% 1.0 . 2.92 1038 911 A 15 VAL H A 14 GLN HBx 1.0 . 4.62 1039 912 A 23 CYS HBy A 15 VAL H 1.0 . 4.70 1040 913 A 15 VAL H A 23 CYS H 1.0 . 3.92 1041 914 A 17 LEU H A 16 LYS HA 1.0 . 2.98 1042 915 A 17 LEU H A 17 LEU HBy 1.0 . 3.34 1043 916 A 17 LEU HG A 17 LEU H 1.0 . 2.96 1044 917 A 17 LEU H A 17 LEU HDx% 1.0 . 3.40 1045 918 A 3 ARG H A 2 ASN HBy 1.0 . 3.98 1046 919 A 5 ASN H A 4 TRP H 1.0 . 3.79 1047 920 A 3 ARG H A 3 ARG HBx 1.0 . 3.73 1048 921 A 12 HIS HBy A 12 HIS H 1.0 . 4.16 1049 922 A 12 HIS HBy A 13 LYS H 1.0 . 3.26 1050 923 A 22 LEU HDx% A 14 GLN HE2y 1.0 . 4.35 1051 924 A 22 LEU HBx A 14 GLN HE2y 1.0 . 4.69 1052 925 A 22 LEU HG A 14 GLN HE2y 1.0 . 5.50 1053 926 A 14 GLN HE2y A 14 GLN HGx 1.0 . 3.99 1054 927 A 14 GLN HE2y A 14 GLN HGy 1.0 . 3.99 1055 928 A 14 GLN HE2x A 22 LEU HBx 1.0 . 4.69 1056 929 A 14 GLN HE2x A 14 GLN HGx 1.0 . 3.99 1057 930 A 14 GLN HE2x A 14 GLN HGy 1.0 . 3.99 1058 931 A 14 GLN HE2x A 22 LEU HG 1.0 . 5.50 1059 932 A 15 VAL H A 14 GLN HA 1.0 . 2.56 1060 933 A 17 LEU H A 17 LEU HBx 1.0 . 3.59 1061 934 A 16 LYS H A 22 LEU HDy% 1.0 . 3.97 1062 935 A 15 VAL H A 15 VAL HGx% 1.0 . 3.48 1063 936 A 64 CYS H A 27 GLY H 1.0 . 3.96 1064 937 A 64 CYS H A 49 CYS HA 1.0 . 4.51 1065 938 A 2 ASN HD2x A 2 ASN HBy 1.0 . 3.84 1066 939 A 2 ASN HD2y A 2 ASN HBx 1.0 . 3.84 1067 940 A 2 ASN HD2y A 2 ASN HBy 1.0 . 3.84 1068 941 A 21 GLN HE2x A 21 GLN HGx 1.0 . 4.08 1069 941 A 21 GLN HGy A 21 GLN HE2x 1.0 . 4.08 1070 942 A 21 GLN HE2y A 21 GLN HGx 1.0 . 4.08 1071 942 A 21 GLN HGy A 21 GLN HE2y 1.0 . 4.08 1072 943 A 4 TRP H A 3 ARG HBy 1.0 . 4.34 1073 944 A 4 TRP H A 3 ARG HBx 1.0 . 4.34 1074 945 A 5 ASN HA A 5 ASN HD2x 1.0 . 4.98 1075 946 A 5 ASN H A 5 ASN HD2y 1.0 . 4.75 1076 947 A 5 ASN HA A 5 ASN HD2y 1.0 . 4.98 1077 948 A 20 GLY H A 17 LEU H 1.0 . 4.67 1078 949 A 16 LYS H A 15 VAL HGx% 1.0 . 3.62 1079 950 A 13 LYS H A 13 LYS HBx 1.0 . 2.88 1080 950 A 13 LYS HBy A 13 LYS H 1.0 . 2.88 1081 951 A 16 LYS H A 16 LYS HBx 1.0 . 3.07 1082 951 A 16 LYS H A 16 LYS HBy 1.0 . 3.07 1083 952 A 17 LEU H A 16 LYS HBx 1.0 . 3.39 1084 952 A 16 LYS HBy A 17 LEU H 1.0 . 3.39 1085 953 A 24 LYS HBy A 25 GLU H 1.0 . 3.30 1086 954 A 34 ASP H A 32 LYS HBy 1.0 . 3.45 1087 955 A 33 ARG H A 32 LYS HBy 1.0 . 4.02 1088 956 A 34 ASP H A 34 ASP HBy 1.0 . 3.72 1089 957 A 38 LYS H A 38 LYS HGx 1.0 . 3.54 1090 958 A 40 ASP HBy A 40 ASP H 1.0 . 3.57 1091 959 A 48 GLY H A 47 SER HBx 1.0 . 3.40 1092 959 A 47 SER HBy A 48 GLY H 1.0 . 3.40 1093 960 A 50 ALA H A 49 CYS H 1.0 . 5.14 1094 961 A 60 PHE H A 60 PHE HBy 1.0 . 3.02 1095 962 A 61 VAL HGy% A 61 VAL H 1.0 . 3.56 1096 963 A 61 VAL HGx% A 62 ARG H 1.0 . 3.84 1097 964 A 64 CYS H A 64 CYS HBx 1.0 . 3.74 1098 965 A 64 CYS HA A 65 TYR H 1.0 . 3.04 1099 966 A 66 ILE HG1x A 66 ILE H 1.0 . 4.09 1100 967 A 66 ILE HG1y A 66 ILE H 1.0 . 4.41 1101 968 A 66 ILE HG2% A 66 ILE H 1.0 . 4.08 1102 969 A 55 ALA HB% A 53 TRP HE1 1.0 . 3.45 1103 970 A 2 ASN HD2x A 2 ASN HBy 1.0 . 2.87 1104 970 A 2 ASN HD2x A 2 ASN HBx 1.0 . 2.87 1105 970 A 2 ASN HD2y A 2 ASN HBx 1.0 . 2.87 1106 970 A 2 ASN HD2y A 2 ASN HBy 1.0 . 2.87 1107 971 A 3 ARG H A 2 ASN HBx 1.0 . 3.32 1108 971 A 3 ARG H A 2 ASN HBy 1.0 . 3.32 1109 972 A 3 ARG HA A 2 ASN HBx 1.0 . 4.85 1110 972 A 3 ARG HA A 2 ASN HBy 1.0 . 4.85 1111 973 A 4 TRP H A 2 ASN HBx 1.0 . 4.19 1112 973 A 4 TRP H A 2 ASN HBy 1.0 . 4.19 1113 974 A 3 ARG H A 3 ARG HBy 1.0 . 3.16 1114 974 A 3 ARG H A 3 ARG HBx 1.0 . 3.16 1115 975 A 4 TRP H A 3 ARG HBy 1.0 . 3.81 1116 975 A 4 TRP H A 3 ARG HBx 1.0 . 3.81 1117 976 A 4 TRP HE1 A 4 TRP HBx 1.0 . 4.48 1118 976 A 4 TRP HBy A 4 TRP HE1 1.0 . 4.48 1119 977 A 5 ASN H A 5 ASN HBx 1.0 . 3.12 1120 977 A 5 ASN H A 5 ASN HBy 1.0 . 3.12 1121 978 A 5 ASN HA A 5 ASN HD2x 1.0 . 4.29 1122 978 A 5 ASN HA A 5 ASN HD2y 1.0 . 4.29 1123 979 A 5 ASN HD2y A 5 ASN HBx 1.0 . 3.19 1124 979 A 5 ASN HD2y A 5 ASN HBy 1.0 . 3.19 1125 979 A 5 ASN HD2x A 5 ASN HBx 1.0 . 3.19 1126 979 A 5 ASN HD2x A 5 ASN HBy 1.0 . 3.19 1127 980 A 6 LEU HG A 63 GLU HGy 1.0 . 4.40 1128 980 A 6 LEU HG A 63 GLU HGx 1.0 . 4.40 1129 981 A 6 LEU HDx% A 63 GLU HGy 1.0 . 4.82 1130 981 A 6 LEU HDx% A 63 GLU HGx 1.0 . 4.82 1131 982 A 10 ILE HA A 11 PRO HDx 1.0 . 3.22 1132 982 A 10 ILE HA A 11 PRO HDy 1.0 . 3.22 1133 983 A 10 ILE HG2% A 11 PRO HBy 1.0 . 4.36 1134 983 A 10 ILE HG2% A 11 PRO HBx 1.0 . 4.36 1135 984 A 10 ILE HG2% A 11 PRO HDx 1.0 . 3.51 1136 984 A 10 ILE HG2% A 11 PRO HDy 1.0 . 3.51 1137 985 A 12 HIS H A 11 PRO HBy 1.0 . 3.53 1138 985 A 12 HIS H A 11 PRO HBx 1.0 . 3.53 1139 986 A 13 LYS HA A 14 GLN HBx 1.0 . 4.40 1140 986 A 13 LYS HA A 14 GLN HBy 1.0 . 4.40 1141 987 A 14 GLN H A 14 GLN HBx 1.0 . 2.84 1142 987 A 14 GLN H A 14 GLN HBy 1.0 . 2.84 1143 988 A 15 VAL H A 14 GLN HBx 1.0 . 3.89 1144 988 A 15 VAL H A 14 GLN HBy 1.0 . 3.89 1145 989 A 22 LEU HDx% A 14 GLN HBx 1.0 . 4.87 1146 989 A 22 LEU HDx% A 14 GLN HBy 1.0 . 4.87 1147 990 A 14 GLN HE2y A 14 GLN HGx 1.0 . 3.04 1148 990 A 14 GLN HE2x A 14 GLN HGy 1.0 . 3.04 1149 990 A 14 GLN HE2y A 14 GLN HGy 1.0 . 3.04 1150 990 A 14 GLN HE2x A 14 GLN HGx 1.0 . 3.04 1151 991 A 22 LEU HDx% A 14 GLN HGx 1.0 . 4.52 1152 991 A 22 LEU HDx% A 14 GLN HGy 1.0 . 4.52 1153 992 A 22 LEU HDy% A 14 GLN HGx 1.0 . 4.28 1154 992 A 22 LEU HDy% A 14 GLN HGy 1.0 . 4.28 1155 993 A 22 LEU HA A 14 GLN HE2x 1.0 . 5.06 1156 993 A 22 LEU HA A 14 GLN HE2y 1.0 . 5.06 1157 994 A 14 GLN HE2x A 22 LEU HBx 1.0 . 4.08 1158 994 A 22 LEU HBx A 14 GLN HE2y 1.0 . 4.08 1159 995 A 14 GLN HE2x A 22 LEU HG 1.0 . 4.69 1160 995 A 22 LEU HG A 14 GLN HE2y 1.0 . 4.69 1161 996 A 14 GLN HE2x A 22 LEU HDy% 1.0 . 4.46 1162 996 A 22 LEU HDy% A 14 GLN HE2y 1.0 . 4.46 1163 997 A 15 VAL H A 16 LYS HGx 1.0 . 5.34 1164 997 A 15 VAL H A 16 LYS HGy 1.0 . 5.34 1165 998 A 16 LYS H A 16 LYS HGx 1.0 . 3.37 1166 998 A 16 LYS H A 16 LYS HGy 1.0 . 3.37 1167 999 A 16 LYS HA A 16 LYS HGx 1.0 . 3.47 1168 999 A 16 LYS HA A 16 LYS HGy 1.0 . 3.47 1169 1000 A 16 LYS HA A 16 LYS HDx 1.0 . 4.43 1170 1000 A 16 LYS HA A 16 LYS HDy 1.0 . 4.43 1171 1001 A 16 LYS HEy A 16 LYS HGx 1.0 . 3.47 1172 1001 A 16 LYS HEx A 16 LYS HGx 1.0 . 3.47 1173 1001 A 16 LYS HGy A 16 LYS HEx 1.0 . 3.47 1174 1001 A 16 LYS HEy A 16 LYS HGy 1.0 . 3.47 1175 1002 A 17 LEU HDx% A 19 ASN HBx 1.0 . 3.92 1176 1002 A 17 LEU HDx% A 19 ASN HBy 1.0 . 3.92 1177 1003 A 19 ASN HD2x A 17 LEU HDx% 1.0 . 4.35 1178 1003 A 17 LEU HDx% A 19 ASN HD2y 1.0 . 4.35 1179 1004 A 17 LEU HDx% A 21 GLN HBx 1.0 . 4.12 1180 1004 A 17 LEU HDx% A 21 GLN HBy 1.0 . 4.12 1181 1005 A 17 LEU HDx% A 35 GLU HGy 1.0 . 4.65 1182 1005 A 17 LEU HDx% A 35 GLU HGx 1.0 . 4.65 1183 1006 A 17 LEU HDy% A 19 ASN HD2x 1.0 . 4.73 1184 1006 A 17 LEU HDy% A 19 ASN HD2y 1.0 . 4.73 1185 1007 A 19 ASN H A 19 ASN HBx 1.0 . 3.28 1186 1007 A 19 ASN H A 19 ASN HBy 1.0 . 3.28 1187 1008 A 19 ASN HA A 20 GLY HAy 1.0 . 4.52 1188 1008 A 19 ASN HA A 20 GLY HAx 1.0 . 4.52 1189 1009 A 19 ASN HD2x A 19 ASN HBx 1.0 . 3.18 1190 1009 A 19 ASN HD2x A 19 ASN HBy 1.0 . 3.18 1191 1009 A 19 ASN HD2y A 19 ASN HBx 1.0 . 3.18 1192 1009 A 19 ASN HD2y A 19 ASN HBy 1.0 . 3.18 1193 1010 A 21 GLN H A 19 ASN HBx 1.0 . 4.22 1194 1010 A 21 GLN H A 19 ASN HBy 1.0 . 4.22 1195 1011 A 21 GLN H A 21 GLN HBx 1.0 . 3.19 1196 1011 A 21 GLN H A 21 GLN HBy 1.0 . 3.19 1197 1012 A 21 GLN HE2x A 21 GLN HBy 1.0 . 4.49 1198 1012 A 21 GLN HE2x A 21 GLN HBx 1.0 . 4.49 1199 1012 A 21 GLN HE2y A 21 GLN HBy 1.0 . 4.49 1200 1012 A 21 GLN HE2y A 21 GLN HBx 1.0 . 4.49 1201 1013 A 24 LYS H A 24 LYS HGx 1.0 . 3.53 1202 1013 A 24 LYS H A 24 LYS HGy 1.0 . 3.53 1203 1014 A 24 LYS HEy A 24 LYS HGx 1.0 . 3.47 1204 1014 A 24 LYS HEx A 24 LYS HGx 1.0 . 3.47 1205 1014 A 24 LYS HGy A 24 LYS HEx 1.0 . 3.47 1206 1014 A 24 LYS HEy A 24 LYS HGy 1.0 . 3.47 1207 1015 A 24 LYS HGx A 35 GLU HGy 1.0 . 4.56 1208 1015 A 24 LYS HGy A 35 GLU HGy 1.0 . 4.56 1209 1015 A 35 GLU HGx A 24 LYS HGx 1.0 . 4.56 1210 1015 A 35 GLU HGx A 24 LYS HGy 1.0 . 4.56 1211 1016 A 24 LYS HDx A 28 ASP HBx 1.0 . 4.07 1212 1016 A 24 LYS HDx A 28 ASP HBy 1.0 . 4.07 1213 1017 A 25 GLU H A 25 GLU HBx 1.0 . 3.37 1214 1017 A 25 GLU H A 25 GLU HBy 1.0 . 3.37 1215 1018 A 25 GLU H A 28 ASP HBx 1.0 . 4.03 1216 1018 A 25 GLU H A 28 ASP HBy 1.0 . 4.03 1217 1019 A 25 GLU HBx A 28 ASP HBx 1.0 . 4.71 1218 1019 A 25 GLU HBy A 28 ASP HBx 1.0 . 4.71 1219 1019 A 28 ASP HBy A 25 GLU HBx 1.0 . 4.71 1220 1019 A 28 ASP HBy A 25 GLU HBy 1.0 . 4.71 1221 1020 A 26 PRO HA A 64 CYS HBy 1.0 . 3.65 1222 1020 A 26 PRO HA A 64 CYS HBx 1.0 . 3.65 1223 1021 A 27 GLY H A 63 GLU HGy 1.0 . 4.39 1224 1021 A 27 GLY H A 63 GLU HGx 1.0 . 4.39 1225 1022 A 27 GLY H A 64 CYS HBy 1.0 . 3.62 1226 1022 A 27 GLY H A 64 CYS HBx 1.0 . 3.62 1227 1023 A 28 ASP H A 28 ASP HBx 1.0 . 3.10 1228 1023 A 28 ASP H A 28 ASP HBy 1.0 . 3.10 1229 1024 A 28 ASP H A 64 CYS HBy 1.0 . 4.22 1230 1024 A 28 ASP H A 64 CYS HBx 1.0 . 4.22 1231 1025 A 29 SER H A 28 ASP HBx 1.0 . 3.35 1232 1025 A 29 SER H A 28 ASP HBy 1.0 . 3.35 1233 1026 A 32 LYS H A 31 SER HBx 1.0 . 3.19 1234 1026 A 32 LYS H A 31 SER HBy 1.0 . 3.19 1235 1027 A 31 SER HBy A 32 LYS HGx 1.0 . 3.96 1236 1027 A 31 SER HBx A 32 LYS HGx 1.0 . 3.96 1237 1027 A 32 LYS HGy A 31 SER HBx 1.0 . 3.96 1238 1027 A 32 LYS HGy A 31 SER HBy 1.0 . 3.96 1239 1028 A 32 LYS H A 35 GLU HGy 1.0 . 4.03 1240 1028 A 32 LYS H A 35 GLU HGx 1.0 . 4.03 1241 1029 A 33 ARG HA A 36 CYS HBy 1.0 . 4.31 1242 1029 A 33 ARG HA A 36 CYS HBx 1.0 . 4.31 1243 1030 A 33 ARG HBx A 33 ARG HDx 1.0 . 3.59 1244 1030 A 33 ARG HBy A 33 ARG HDx 1.0 . 3.59 1245 1030 A 33 ARG HDy A 33 ARG HBx 1.0 . 3.59 1246 1030 A 33 ARG HDy A 33 ARG HBy 1.0 . 3.59 1247 1031 A 33 ARG HE A 33 ARG HBx 1.0 . 4.79 1248 1031 A 33 ARG HBy A 33 ARG HE 1.0 . 4.79 1249 1032 A 34 ASP H A 33 ARG HBx 1.0 . 3.67 1250 1032 A 34 ASP H A 33 ARG HBy 1.0 . 3.67 1251 1033 A 33 ARG HGy A 48 GLY HAy 1.0 . 3.66 1252 1033 A 33 ARG HGx A 48 GLY HAy 1.0 . 3.66 1253 1033 A 48 GLY HAx A 33 ARG HGx 1.0 . 3.66 1254 1033 A 33 ARG HGy A 48 GLY HAx 1.0 . 3.66 1255 1034 A 34 ASP H A 34 ASP HBx 1.0 . 3.05 1256 1034 A 34 ASP H A 34 ASP HBy 1.0 . 3.05 1257 1035 A 35 GLU H A 34 ASP HBx 1.0 . 4.14 1258 1035 A 35 GLU H A 34 ASP HBy 1.0 . 4.14 1259 1036 A 35 GLU H A 35 GLU HGy 1.0 . 2.96 1260 1036 A 35 GLU H A 35 GLU HGx 1.0 . 2.96 1261 1037 A 35 GLU H A 36 CYS HBy 1.0 . 4.84 1262 1037 A 35 GLU H A 36 CYS HBx 1.0 . 4.84 1263 1038 A 35 GLU HA A 35 GLU HGy 1.0 . 3.53 1264 1038 A 35 GLU HA A 35 GLU HGx 1.0 . 3.53 1265 1039 A 36 CYS H A 36 CYS HBy 1.0 . 3.08 1266 1039 A 36 CYS H A 36 CYS HBx 1.0 . 3.08 1267 1040 A 37 CYS H A 36 CYS HBy 1.0 . 4.04 1268 1040 A 37 CYS H A 36 CYS HBx 1.0 . 4.04 1269 1041 A 64 CYS HA A 36 CYS HBy 1.0 . 4.51 1270 1041 A 64 CYS HA A 36 CYS HBx 1.0 . 4.51 1271 1042 A 38 LYS HA A 38 LYS HGx 1.0 . 3.28 1272 1042 A 38 LYS HA A 38 LYS HGy 1.0 . 3.28 1273 1043 A 41 ASP H A 41 ASP HBx 1.0 . 2.75 1274 1043 A 41 ASP H A 41 ASP HBy 1.0 . 2.75 1275 1044 A 42 GLN H A 41 ASP HBx 1.0 . 4.01 1276 1044 A 42 GLN H A 41 ASP HBy 1.0 . 4.01 1277 1045 A 43 LYS H A 41 ASP HBx 1.0 . 4.67 1278 1045 A 43 LYS H A 41 ASP HBy 1.0 . 4.67 1279 1046 A 44 THR H A 41 ASP HBx 1.0 . 4.34 1280 1046 A 44 THR H A 41 ASP HBy 1.0 . 4.34 1281 1047 A 45 TYR HD% A 41 ASP HBx 1.0 . 3.91 1282 1047 A 45 TYR HD% A 41 ASP HBy 1.0 . 3.91 1283 1048 A 45 TYR HE% A 41 ASP HBx 1.0 . 4.56 1284 1048 A 45 TYR HE% A 41 ASP HBy 1.0 . 4.56 1285 1049 A 42 GLN H A 42 GLN HGy 1.0 . 3.08 1286 1049 A 42 GLN H A 42 GLN HGx 1.0 . 3.08 1287 1050 A 43 LYS H A 42 GLN HGy 1.0 . 4.16 1288 1050 A 43 LYS H A 42 GLN HGx 1.0 . 4.16 1289 1051 A 43 LYS HA A 42 GLN HGy 1.0 . 4.59 1290 1051 A 43 LYS HA A 42 GLN HGx 1.0 . 4.59 1291 1052 A 43 LYS H A 43 LYS HGx 1.0 . 3.52 1292 1052 A 43 LYS H A 43 LYS HGy 1.0 . 3.52 1293 1053 A 43 LYS H A 43 LYS HDx 1.0 . 4.29 1294 1053 A 43 LYS H A 43 LYS HDy 1.0 . 4.29 1295 1054 A 43 LYS HA A 43 LYS HGx 1.0 . 3.26 1296 1054 A 43 LYS HA A 43 LYS HGy 1.0 . 3.26 1297 1055 A 43 LYS HA A 43 LYS HDx 1.0 . 4.64 1298 1055 A 43 LYS HA A 43 LYS HDy 1.0 . 4.64 1299 1056 A 44 THR H A 43 LYS HGx 1.0 . 4.32 1300 1056 A 44 THR H A 43 LYS HGy 1.0 . 4.32 1301 1057 A 49 CYS H A 48 GLY HAy 1.0 . 2.92 1302 1057 A 49 CYS H A 48 GLY HAx 1.0 . 2.92 1303 1058 A 65 TYR H A 48 GLY HAy 1.0 . 4.70 1304 1058 A 65 TYR H A 48 GLY HAx 1.0 . 4.70 1305 1059 A 50 ALA HB% A 51 GLN HGy 1.0 . 4.18 1306 1059 A 50 ALA HB% A 51 GLN HGx 1.0 . 4.18 1307 1060 A 51 GLN H A 51 GLN HBy 1.0 . 3.02 1308 1060 A 51 GLN H A 51 GLN HBx 1.0 . 3.02 1309 1061 A 51 GLN H A 51 GLN HGy 1.0 . 4.00 1310 1061 A 51 GLN H A 51 GLN HGx 1.0 . 4.00 1311 1062 A 51 GLN H A 62 ARG HGx 1.0 . 5.09 1312 1062 A 51 GLN H A 62 ARG HGy 1.0 . 5.09 1313 1063 A 51 GLN H A 62 ARG HDx 1.0 . 4.88 1314 1063 A 51 GLN H A 62 ARG HDy 1.0 . 4.88 1315 1064 A 52 THR H A 51 GLN HBy 1.0 . 3.70 1316 1064 A 52 THR H A 51 GLN HBx 1.0 . 3.70 1317 1065 A 60 PHE HBy A 51 GLN HBy 1.0 . 4.48 1318 1065 A 60 PHE HBy A 51 GLN HBx 1.0 . 4.48 1319 1066 A 60 PHE HBx A 51 GLN HBy 1.0 . 4.23 1320 1066 A 60 PHE HBx A 51 GLN HBx 1.0 . 4.23 1321 1067 A 60 PHE HD% A 51 GLN HBy 1.0 . 5.07 1322 1067 A 60 PHE HD% A 51 GLN HBx 1.0 . 5.07 1323 1068 A 61 VAL H A 51 GLN HBy 1.0 . 4.12 1324 1068 A 61 VAL H A 51 GLN HBx 1.0 . 4.12 1325 1069 A 60 PHE HBx A 51 GLN HGy 1.0 . 4.21 1326 1069 A 60 PHE HBx A 51 GLN HGx 1.0 . 4.21 1327 1070 A 51 GLN HGy A 62 ARG HGx 1.0 . 4.39 1328 1070 A 51 GLN HGx A 62 ARG HGx 1.0 . 4.39 1329 1070 A 62 ARG HGy A 51 GLN HGy 1.0 . 4.39 1330 1070 A 51 GLN HGx A 62 ARG HGy 1.0 . 4.39 1331 1071 A 51 GLN HGx A 62 ARG HDx 1.0 . 4.10 1332 1071 A 51 GLN HGy A 62 ARG HDx 1.0 . 4.10 1333 1071 A 62 ARG HDy A 51 GLN HGy 1.0 . 4.10 1334 1071 A 51 GLN HGx A 62 ARG HDy 1.0 . 4.10 1335 1072 A 52 THR H A 62 ARG HGx 1.0 . 4.88 1336 1072 A 52 THR H A 62 ARG HGy 1.0 . 4.88 1337 1073 A 52 THR HB A 63 GLU HGy 1.0 . 5.15 1338 1073 A 52 THR HB A 63 GLU HGx 1.0 . 5.15 1339 1074 A 52 THR HG2% A 63 GLU HGy 1.0 . 3.61 1340 1074 A 52 THR HG2% A 63 GLU HGx 1.0 . 3.61 1341 1075 A 55 ALA HB% A 56 MET HGy 1.0 . 4.43 1342 1075 A 55 ALA HB% A 56 MET HGx 1.0 . 4.43 1343 1076 A 56 MET H A 56 MET HGy 1.0 . 3.31 1344 1076 A 56 MET H A 56 MET HGx 1.0 . 3.31 1345 1077 A 56 MET HA A 56 MET HGy 1.0 . 3.22 1346 1077 A 56 MET HA A 56 MET HGx 1.0 . 3.22 1347 1078 A 57 GLU H A 56 MET HGy 1.0 . 4.56 1348 1078 A 57 GLU H A 56 MET HGx 1.0 . 4.56 1349 1079 A 58 GLY H A 59 GLY HAy 1.0 . 5.12 1350 1079 A 58 GLY H A 59 GLY HAx 1.0 . 5.12 1351 1080 A 60 PHE H A 59 GLY HAy 1.0 . 2.71 1352 1080 A 60 PHE H A 59 GLY HAx 1.0 . 2.71 1353 1081 A 62 ARG H A 62 ARG HGx 1.0 . 3.71 1354 1081 A 62 ARG H A 62 ARG HGy 1.0 . 3.71 1355 1082 A 62 ARG H A 62 ARG HDx 1.0 . 4.44 1356 1082 A 62 ARG H A 62 ARG HDy 1.0 . 4.44 1357 1083 A 63 GLU H A 63 GLU HGy 1.0 . 4.31 1358 1083 A 63 GLU H A 63 GLU HGx 1.0 . 4.31 1359 1084 A 64 CYS H A 64 CYS HBy 1.0 . 3.25 1360 1084 A 64 CYS H A 64 CYS HBx 1.0 . 3.25 1361 1085 A 65 TYR H A 64 CYS HBy 1.0 . 3.90 1362 1085 A 65 TYR H A 64 CYS HBx 1.0 . 3.90 1363 1086 A 68 ALA HB% A 71 SER HBy 1.0 . 3.46 1364 1086 A 68 ALA HB% A 71 SER HBx 1.0 . 3.46 1365 1087 A 70 GLU H A 70 GLU HBx 1.0 . 3.42 1366 1087 A 70 GLU H A 70 GLU HBy 1.0 . 3.42 1367 1088 A 71 SER H A 70 GLU HBx 1.0 . 3.52 1368 1088 A 71 SER H A 70 GLU HBy 1.0 . 3.52 1369 1089 A 71 SER HA A 70 GLU HBx 1.0 . 4.55 1370 1089 A 71 SER HA A 70 GLU HBy 1.0 . 4.55 1371 1090 A 71 SER H A 71 SER HBy 1.0 . 2.95 1372 1090 A 71 SER H A 71 SER HBx 1.0 . 2.95 1373 1091 A 72 SER H A 71 SER HBy 1.0 . 4.27 1374 1091 A 72 SER H A 71 SER HBx 1.0 . 4.27 1375 1092 A 74 CYS H A 71 SER HBy 1.0 . 4.81 1376 1092 A 74 CYS H A 71 SER HBx 1.0 . 4.81 1377 1093 A 72 SER H A 72 SER HBx 1.0 . 2.83 1378 1093 A 72 SER H A 72 SER HBy 1.0 . 2.83 1379 1094 A 72 SER HA A 72 SER HBx 1.0 . 2.53 1380 1094 A 72 SER HA A 72 SER HBy 1.0 . 2.53 1381 1095 A 73 MET H A 72 SER HBx 1.0 . 3.30 1382 1095 A 73 MET H A 72 SER HBy 1.0 . 3.30 1383 1096 A 73 MET H A 73 MET HGy 1.0 . 3.70 1384 1096 A 73 MET H A 73 MET HGx 1.0 . 3.70 1385 1097 A 74 CYS H A 73 MET HBx 1.0 . 3.93 1386 1097 A 74 CYS H A 73 MET HBy 1.0 . 3.93 1387 1098 A 74 CYS H A 73 MET HGy 1.0 . 4.73 1388 1098 A 74 CYS H A 73 MET HGx 1.0 . 4.73 1389 1099 A 74 CYS H A 74 CYS HBx 1.0 . 3.33 1390 1099 A 74 CYS H A 74 CYS HBy 1.0 . 3.33 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 ASN C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -82.8 -42.8 PHI 2 2 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 TRP N 1.0 -53.9 -13.9 PSI 3 3 A 3 ARG C A 4 TRP N A 4 TRP CA A 4 TRP C 1.0 -84.7 -44.7 PHI 4 4 A 4 TRP N A 4 TRP CA A 4 TRP C A 5 ASN N 1.0 -56.4 -16.4 PSI 5 5 A 4 TRP C A 5 ASN N A 5 ASN CA A 5 ASN C 1.0 -87.6 -47.6 PHI 6 6 A 5 ASN N A 5 ASN CA A 5 ASN C A 6 LEU N 1.0 -46.3 -6.3 PSI 7 7 A 5 ASN C A 6 LEU N A 6 LEU CA A 6 LEU C 1.0 -109.4 -69.4 PHI 8 8 A 6 LEU N A 6 LEU CA A 6 LEU C A 7 GLY N 1.0 -30.6 11.1 PSI 9 9 A 7 GLY C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -84.6 -44.6 PHI 10 10 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 GLY N 1.0 -55.1 -15.1 PSI 11 11 A 9 GLY C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -99.2 -49.0 PHI 12 12 A 10 ILE N A 10 ILE CA A 10 ILE C A 11 PRO N 1.0 112.0 155.1 PSI 13 13 A 11 PRO C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -135.8 -54.5 PHI 14 14 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 LYS N 1.0 110.3 160.9 PSI 15 15 A 12 HIS C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -154.5 -48.4 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLN N 1.0 111.4 171.2 PSI 17 17 A 13 LYS C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -90.3 -50.3 PHI 18 18 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 VAL N 1.0 112.9 155.0 PSI 19 19 A 14 GLN C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -151.7 -104.2 PHI 20 20 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 LYS N 1.0 129.0 171.3 PSI 21 21 A 15 VAL C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -96.7 -49.6 PHI 22 22 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 LEU N 1.0 114.0 157.6 PSI 23 23 A 16 LYS C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -100.9 -60.9 PHI 24 24 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 PRO N 1.0 138.3 178.3 PSI 25 25 A 18 PRO N A 18 PRO CA A 18 PRO C A 19 ASN N 1.0 -46.4 -6.4 PSI 26 26 A 18 PRO C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 -106.5 -66.5 PHI 27 27 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 GLY N 1.0 -18.8 21.2 PSI 28 28 A 19 ASN C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 70.1 110.1 PHI 29 29 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 GLN N 1.0 -23.4 16.6 PSI 30 30 A 20 GLY C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -103.5 -63.5 PHI 31 31 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 LEU N 1.0 127.1 167.1 PSI 32 32 A 24 LYS C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -89.9 -49.9 PHI 33 33 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 PRO N 1.0 122.3 162.3 PSI 34 34 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 GLY N 1.0 113.5 153.5 PSI 35 35 A 26 PRO C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 74.2 114.2 PHI 36 36 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 ASP N 1.0 -32.1 7.9 PSI 37 37 A 27 GLY C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -95.3 -53.8 PHI 38 38 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 SER N 1.0 113.2 169.5 PSI 39 39 A 29 SER C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -170.1 -124.9 PHI 40 40 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 SER N 1.0 132.7 175.7 PSI 41 41 A 31 SER C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -160.7 -108.1 PHI 42 42 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ARG N 1.0 126.6 174.6 PSI 43 43 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -78.4 -38.4 PHI 44 44 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 ASP N 1.0 -54.4 -14.4 PSI 45 45 A 33 ARG C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -90.2 -50.2 PHI 46 46 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 GLU N 1.0 -34.5 5.5 PSI 47 47 A 34 ASP C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -105.9 -65.9 PHI 48 48 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 CYS N 1.0 -31.0 9.0 PSI 49 49 A 35 GLU C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -89.5 -49.5 PHI 50 50 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 CYS N 1.0 117.2 161.4 PSI 51 51 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -91.8 -51.8 PHI 52 52 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 ASP N 1.0 134.1 175.3 PSI 53 53 A 41 ASP C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -101.1 -42.3 PHI 54 54 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 LYS N 1.0 -56.1 9.9 PSI 55 55 A 42 GLN C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -93.3 -53.3 PHI 56 56 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 THR N 1.0 -44.0 5.6 PSI 57 57 A 43 LYS C A 44 THR N A 44 THR CA A 44 THR C 1.0 -118.6 -57.3 PHI 58 58 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 -44.6 16.8 PSI 59 59 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -153.7 -84.2 PHI 60 60 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 SER N 1.0 120.7 171.9 PSI 61 61 A 45 TYR C A 46 SER N A 46 SER CA A 46 SER C 1.0 -157.2 -101.7 PHI 62 62 A 46 SER N A 46 SER CA A 46 SER C A 47 SER N 1.0 125.3 178.1 PSI 63 63 A 46 SER C A 47 SER N A 47 SER CA A 47 SER C 1.0 -166.7 -98.7 PHI 64 64 A 47 SER N A 47 SER CA A 47 SER C A 48 GLY N 1.0 129.2 169.2 PSI 65 65 A 47 SER C A 48 GLY N A 48 GLY CA A 48 GLY C 1.0 145.6 206.1 PHI 66 66 A 48 GLY N A 48 GLY CA A 48 GLY C A 49 CYS N 1.0 -202.1 -151.1 PSI 67 67 A 48 GLY C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -170.8 -59.9 PHI 68 68 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 ALA N 1.0 107.6 169.0 PSI 69 69 A 49 CYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -160.3 -105.1 PHI 70 70 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 GLN N 1.0 106.8 171.3 PSI 71 71 A 50 ALA C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -107.8 -59.2 PHI 72 72 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 THR N 1.0 109.6 149.6 PSI 73 73 A 51 GLN C A 52 THR N A 52 THR CA A 52 THR C 1.0 -149.7 -92.3 PHI 74 74 A 52 THR N A 52 THR CA A 52 THR C A 53 TRP N 1.0 112.5 162.4 PSI 75 75 A 52 THR C A 53 TRP N A 53 TRP CA A 53 TRP C 1.0 -92.0 -50.5 PHI 76 76 A 53 TRP N A 53 TRP CA A 53 TRP C A 54 SER N 1.0 111.3 151.3 PSI 77 77 A 53 TRP C A 54 SER N A 54 SER CA A 54 SER C 1.0 -129.6 -89.6 PHI 78 78 A 54 SER N A 54 SER CA A 54 SER C A 55 ALA N 1.0 90.0 130.0 PSI 79 79 A 54 SER C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -84.6 -44.6 PHI 80 80 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 MET N 1.0 -49.7 -9.7 PSI 81 81 A 55 ALA C A 56 MET N A 56 MET CA A 56 MET C 1.0 -90.0 -50.0 PHI 82 82 A 56 MET N A 56 MET CA A 56 MET C A 57 GLU N 1.0 -60.4 -20.4 PSI 83 83 A 56 MET C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -115.6 -69.9 PHI 84 84 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 GLY N 1.0 -32.4 7.6 PSI 85 85 A 57 GLU C A 58 GLY N A 58 GLY CA A 58 GLY C 1.0 51.6 91.6 PHI 86 86 A 58 GLY N A 58 GLY CA A 58 GLY C A 59 GLY N 1.0 7.3 47.3 PSI 87 87 A 59 GLY C A 60 PHE N A 60 PHE CA A 60 PHE C 1.0 -96.8 -56.8 PHI 88 88 A 60 PHE N A 60 PHE CA A 60 PHE C A 61 VAL N 1.0 119.9 159.9 PSI 89 89 A 60 PHE C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -148.9 -101.0 PHI 90 90 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 ARG N 1.0 114.3 169.0 PSI 91 91 A 61 VAL C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -100.6 -60.6 PHI 92 92 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 GLU N 1.0 112.0 152.0 PSI 93 93 A 62 ARG C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -156.3 -116.3 PHI 94 94 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 CYS N 1.0 123.1 169.5 PSI 95 95 A 63 GLU C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -102.4 -51.8 PHI 96 96 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 TYR N 1.0 117.6 157.6 PSI 97 97 A 64 CYS C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -153.8 -113.8 PHI 98 98 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 ILE N 1.0 133.9 173.9 PSI 99 99 A 65 TYR C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -137.0 -87.9 PHI 100 100 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 CYS N 1.0 109.3 149.3 PSI 101 101 A 66 ILE C A 67 CYS N A 67 CYS CA A 67 CYS C 1.0 -162.4 -122.4 PHI 102 102 A 67 CYS N A 67 CYS CA A 67 CYS C A 68 ALA N 1.0 125.1 180.5 PSI 103 103 A 67 CYS C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -89.0 -49.0 PHI 104 104 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 VAL N 1.0 111.4 166.4 PSI 105 105 A 68 ALA C A 69 VAL N A 69 VAL CA A 69 VAL C 1.0 -81.2 -41.2 PHI 106 106 A 69 VAL N A 69 VAL CA A 69 VAL C A 70 GLU N 1.0 -46.6 -6.6 PSI 107 107 A 69 VAL C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -99.0 -57.2 PHI 108 108 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 SER N 1.0 -35.0 17.2 PSI 109 109 A 71 SER C A 72 SER N A 72 SER CA A 72 SER C 1.0 -96.8 -56.8 PHI 110 110 A 72 SER N A 72 SER CA A 72 SER C A 73 MET N 1.0 -37.0 3.0 PSI 111 111 A 1 SER C A 2 ASN N A 2 ASN CA A 2 ASN C 1.0 -92.5 -51.2 PHI 112 112 A 2 ASN N A 2 ASN CA A 2 ASN C A 3 ARG N 1.0 126.7 178.0 PSI 113 113 A 21 GLN C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -92.7 -52.7 PHI 114 114 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 CYS N 1.0 117.6 157.6 PSI 115 115 A 22 LEU C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -161.2 -21.2 PHI 116 116 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 LYS N 1.0 116.5 171.4 PSI 117 117 A 23 CYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -155.7 -40.5 PHI 118 118 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 GLU N 1.0 122.4 173.1 PSI 119 119 A 30 CYS C A 31 SER N A 31 SER CA A 31 SER C 1.0 -125.0 -59.0 PHI 120 120 A 31 SER N A 31 SER CA A 31 SER C A 32 LYS N 1.0 -45.5 12.6 PSI 121 121 A 37 CYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -139.0 -45.9 PHI 122 122 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ALA N 1.0 119.0 173.0 PSI 123 123 A 39 ALA C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -85.3 -45.3 PHI 124 124 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 ASP N 1.0 -48.0 -8.0 PSI 125 125 A 49 CYS N A 49 CYS CA A 49 CYS CB A 49 CYS SG 1.0 160.0 200.0 CHI1 126 126 A 53 TRP N A 53 TRP CA A 53 TRP CB A 53 TRP CG 1.0 160.0 200.0 CHI1 127 127 A 54 SER N A 54 SER CA A 54 SER CB A 54 SER OG 1.0 160.0 200.0 CHI1 128 128 A 69 VAL N A 69 VAL CA A 69 VAL CB A 69 VAL CG1 1.0 160.0 200.0 CHI1 129 129 A 44 THR N A 44 THR CA A 44 THR CB A 44 THR OG1 1.0 40.0 80.0 CHI1 130 130 A 47 SER N A 47 SER CA A 47 SER CB A 47 SER OG 1.0 40.0 80.0 CHI1 131 131 A 5 ASN N A 5 ASN CA A 5 ASN CB A 5 ASN CG 1.0 -80.0 -40.0 CHI1 132 132 A 6 LEU N A 6 LEU CA A 6 LEU CB A 6 LEU CG 1.0 -80.0 -40.0 CHI1 133 133 A 10 ILE N A 10 ILE CA A 10 ILE CB A 10 ILE CG1 1.0 -80.0 -40.0 CHI1 134 134 A 12 HIS N A 12 HIS CA A 12 HIS CB A 12 HIS CG 1.0 -80.0 -40.0 CHI1 135 135 A 17 LEU N A 17 LEU CA A 17 LEU CB A 17 LEU CG 1.0 -80.0 -40.0 CHI1 136 136 A 21 GLN N A 21 GLN CA A 21 GLN CB A 21 GLN CG 1.0 -80.0 -40.0 CHI1 137 137 A 22 LEU N A 22 LEU CA A 22 LEU CB A 22 LEU CG 1.0 -80.0 -40.0 CHI1 138 138 A 23 CYS N A 23 CYS CA A 23 CYS CB A 23 CYS SG 1.0 -80.0 -40.0 CHI1 139 139 A 30 CYS N A 30 CYS CA A 30 CYS CB A 30 CYS SG 1.0 -80.0 -40.0 CHI1 140 140 A 32 LYS N A 32 LYS CA A 32 LYS CB A 32 LYS CG 1.0 -80.0 -40.0 CHI1 141 141 A 35 GLU N A 35 GLU CA A 35 GLU CB A 35 GLU CG 1.0 -80.0 -40.0 CHI1 142 142 A 38 LYS N A 38 LYS CA A 38 LYS CB A 38 LYS CG 1.0 -80.0 -40.0 CHI1 143 143 A 40 ASP N A 40 ASP CA A 40 ASP CB A 40 ASP CG 1.0 -80.0 -40.0 CHI1 144 144 A 43 LYS N A 43 LYS CA A 43 LYS CB A 43 LYS CG 1.0 -80.0 -40.0 CHI1 145 145 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 -80.0 -40.0 CHI1 146 146 A 56 MET N A 56 MET CA A 56 MET CB A 56 MET CG 1.0 -80.0 -40.0 CHI1 147 147 A 57 GLU N A 57 GLU CA A 57 GLU CB A 57 GLU CG 1.0 -80.0 -40.0 CHI1 148 148 A 60 PHE N A 60 PHE CA A 60 PHE CB A 60 PHE CG 1.0 -80.0 -40.0 CHI1 149 149 A 66 ILE N A 66 ILE CA A 66 ILE CB A 66 ILE CG1 1.0 -80.0 -40.0 CHI1 stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 14 . . . . 2 ppm . . 76 . . . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 14 . . . . 2 ppm . . 30 . . . . 3 ppm . . 14 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 14 . . . . 2 ppm . . 34 . . . . 3 ppm . . 14 . . . . stop_ save_