data_nef_c18806_2m0d save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2LVR PDB 2LVT PDB 2LVU 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 26 HIS NE2 2 1 ZN ZN 1 22 HIS NE2 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 6 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 PRO middle . false 4 A 4 TYR middle . . 5 A 5 GLN middle . . 6 A 6 CYS middle -HG . 7 A 7 ASP middle . . 8 A 8 TYR middle . . 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 ARG middle . . 12 A 12 SER middle . . 13 A 13 PHE middle . . 14 A 14 SER middle . . 15 A 15 ASP middle . . 16 A 16 PRO middle . false 17 A 17 THR middle . . 18 A 18 SER middle . . 19 A 19 LYS middle . . 20 A 20 MET middle . . 21 A 21 ARG middle . . 22 A 22 HIS middle -HE2 . 23 A 23 LEU middle . . 24 A 24 GLU middle . . 25 A 25 THR middle . . 26 A 26 HIS middle -HE2 . 27 A 27 ASP middle . . 28 A 28 THR middle . . 29 A 29 ASP middle . . 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 HIS middle . . 33 A 33 LYS middle . . 34 A 34 CYS middle . . 35 A 35 PRO middle . false 36 A 36 HIS middle . . 37 A 37 CYS middle . . 38 A 38 ASP middle . . 39 A 39 LYS middle . . 40 A 40 LYS middle . . 41 A 41 PHE middle . . 42 A 42 ASN middle . . 43 A 43 GLN middle . . 44 A 44 VAL middle . . 45 A 45 GLY middle . false 46 A 46 ASN middle . . 47 A 47 LEU middle . . 48 A 48 LYS middle . . 49 A 49 ALA middle . . 50 A 50 HIS middle . . 51 A 51 LEU middle . . 52 A 52 LYS middle . . 53 A 53 ILE middle . . 54 A 54 HIS middle . . 55 A 55 ILE middle . . 56 A 56 ALA middle . . 57 A 57 ASP middle . . 58 A 58 GLY middle . false 59 A 59 PRO middle . false 60 A 60 LEU middle . . 61 A 61 LYS middle . . 62 A 62 CYS middle . . 63 A 63 ARG middle . . 64 A 64 GLU middle . . 65 A 65 CYS middle . . 66 A 66 GLY middle . false 67 A 67 LYS middle . . 68 A 68 GLN middle . . 69 A 69 PHE middle . . 70 A 70 THR middle . . 71 A 71 THR middle . . 72 A 72 SER middle . . 73 A 73 GLY middle . false 74 A 74 ASN middle . . 75 A 75 LEU middle . . 76 A 76 LYS middle . . 77 A 77 ARG middle . . 78 A 78 HIS middle . . 79 A 79 LEU middle . . 80 A 80 ARG middle . . 81 A 81 ILE middle . . 82 A 82 HIS middle . . 83 A 83 SER middle . . 84 A 84 GLY middle . false 85 A 85 GLU middle . . 86 A 86 LYS middle . . 87 A 87 PRO middle . false 88 A 88 TYR middle . . 89 A 89 VAL middle . . 90 A 90 CYS middle . . 91 A 91 ILE middle . . 92 A 92 HIS middle . . 93 A 93 CYS middle . . 94 A 94 GLN middle . . 95 A 95 ARG middle . . 96 A 96 GLN middle . . 97 A 97 PHE middle . . 98 A 98 ALA middle . . 99 A 99 ASP middle . . 100 A 100 PRO middle . false 101 A 101 GLY middle . false 102 A 102 ALA middle . . 103 A 103 LEU middle . . 104 A 104 GLN middle . . 105 A 105 ARG middle . . 106 A 106 HIS middle . . 107 A 107 VAL middle . . 108 A 108 ARG middle . . 109 A 109 ILE middle . . 110 A 110 HIS middle . . 111 A 111 THR middle . . 112 A 112 GLY end . false 113 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 MET HE% H 1 1.616 0.013 A 1 MET CE C 13 19.935 0.024 A 3 PRO HA H 1 4.147 0.006 A 3 PRO HBx H 1 1.312 0.009 A 3 PRO HBy H 1 1.923 0.01 A 3 PRO HDx H 1 3.477 0.012 A 3 PRO HDy H 1 3.614 0.01 A 3 PRO HG2 H 1 1.693 0.01 A 3 PRO HG3 H 1 1.693 0.01 A 3 PRO C C 13 176.083 . A 3 PRO CA C 13 63.415 0.077 A 3 PRO CB C 13 31.877 0.043 A 3 PRO CD C 13 50.236 . A 3 PRO CG C 13 27.125 . A 4 TYR H H 1 7.959 0.008 A 4 TYR HA H 1 4.460 0.013 A 4 TYR HBx H 1 2.651 0.013 A 4 TYR HBy H 1 2.825 0.012 A 4 TYR HDx H 1 6.888 0.01 A 4 TYR HDy H 1 6.888 0.01 A 4 TYR HEx H 1 6.702 0.001 A 4 TYR HEy H 1 6.702 0.001 A 4 TYR C C 13 174.569 . A 4 TYR CA C 13 56.770 0.044 A 4 TYR CB C 13 38.430 0.058 A 4 TYR CDx C 13 135.925 0.069 A 4 TYR CDy C 13 135.925 0.069 A 4 TYR N N 15 117.838 0.034 A 5 GLN H H 1 8.544 0.008 A 5 GLN HA H 1 4.877 0.013 A 5 GLN HB2 H 1 1.708 0.008 A 5 GLN HB3 H 1 1.708 0.008 A 5 GLN HG2 H 1 2.020 0.015 A 5 GLN HG3 H 1 2.020 0.015 A 5 GLN C C 13 175.122 . A 5 GLN CA C 13 54.558 0.078 A 5 GLN CB C 13 31.592 0.062 A 5 GLN CG C 13 33.813 0.038 A 5 GLN N N 15 123.036 0.04 A 6 CYS H H 1 9.125 0.011 A 6 CYS HA H 1 4.277 0.014 A 6 CYS HBy H 1 3.368 0.012 A 6 CYS HBx H 1 2.863 0.013 A 6 CYS C C 13 176.578 . A 6 CYS CA C 13 60.245 0.074 A 6 CYS CB C 13 30.278 0.048 A 6 CYS N N 15 125.821 0.031 A 7 ASP H H 1 8.738 0.014 A 7 ASP HA H 1 4.216 0.012 A 7 ASP HBx H 1 1.901 0.012 A 7 ASP HBy H 1 2.309 0.013 A 7 ASP C C 13 175.676 . A 7 ASP CA C 13 56.350 0.063 A 7 ASP CB C 13 40.743 0.079 A 7 ASP N N 15 129.841 0.02 A 8 TYR H H 1 8.935 0.011 A 8 TYR HA H 1 4.240 0.007 A 8 TYR HBx H 1 1.752 0.01 A 8 TYR HBy H 1 2.384 0.014 A 8 TYR HDx H 1 6.692 0.013 A 8 TYR HDy H 1 6.692 0.013 A 8 TYR HEx H 1 6.649 0.004 A 8 TYR HEy H 1 6.649 0.004 A 8 TYR C C 13 176.440 . A 8 TYR CA C 13 59.546 0.038 A 8 TYR CB C 13 38.060 0.079 A 8 TYR CDx C 13 135.572 0.061 A 8 TYR CDy C 13 135.572 0.061 A 8 TYR CEx C 13 121.095 0.057 A 8 TYR CEy C 13 121.095 0.057 A 8 TYR N N 15 119.023 0.036 A 9 CYS H H 1 8.105 0.009 A 9 CYS HA H 1 5.038 0.011 A 9 CYS HBx H 1 2.886 0.014 A 9 CYS HBy H 1 3.342 0.011 A 9 CYS C C 13 175.815 . A 9 CYS CA C 13 58.310 0.043 A 9 CYS CB C 13 32.273 0.036 A 9 CYS N N 15 115.815 0.047 A 10 GLY H H 1 7.985 0.013 A 10 GLY HAy H 1 4.050 0.01 A 10 GLY HAx H 1 3.753 0.011 A 10 GLY C C 13 173.932 . A 10 GLY CA C 13 46.039 0.043 A 10 GLY N N 15 111.402 0.04 A 11 ARG H H 1 7.928 0.008 A 11 ARG HA H 1 3.928 0.014 A 11 ARG HBx H 1 1.197 0.015 A 11 ARG HBy H 1 1.346 0.013 A 11 ARG HDx H 1 2.752 0.014 A 11 ARG HDy H 1 2.949 0.011 A 11 ARG HGx H 1 1.668 0.015 A 11 ARG HGy H 1 1.704 0.011 A 11 ARG C C 13 174.220 . A 11 ARG CA C 13 57.602 0.011 A 11 ARG CB C 13 31.248 0.044 A 11 ARG CD C 13 43.278 0.019 A 11 ARG CG C 13 27.904 0.008 A 11 ARG N N 15 122.427 0.035 A 12 SER H H 1 7.890 0.011 A 12 SER HA H 1 4.896 0.009 A 12 SER HB2 H 1 3.486 0.009 A 12 SER HB3 H 1 3.486 0.009 A 12 SER C C 13 172.775 . A 12 SER CA C 13 57.311 0.033 A 12 SER CB C 13 65.516 0.068 A 12 SER N N 15 115.605 0.048 A 13 PHE H H 1 8.392 0.01 A 13 PHE HA H 1 4.591 0.009 A 13 PHE HBx H 1 2.574 0.014 A 13 PHE HBy H 1 3.293 0.012 A 13 PHE HDx H 1 7.020 0.012 A 13 PHE HDy H 1 7.020 0.012 A 13 PHE HZ H 1 5.872 0.004 A 13 PHE C C 13 175.330 . A 13 PHE CA C 13 57.369 0.03 A 13 PHE CB C 13 43.443 0.065 A 13 PHE CDx C 13 134.878 0.06 A 13 PHE CDy C 13 134.878 0.06 A 13 PHE CZ C 13 131.642 0.0 A 13 PHE N N 15 118.534 0.06 A 14 SER H H 1 9.090 0.003 A 14 SER HA H 1 4.491 0.006 A 14 SER HB2 H 1 3.940 0.013 A 14 SER HB3 H 1 3.940 0.013 A 14 SER C C 13 173.113 . A 14 SER CA C 13 59.545 0.061 A 14 SER CB C 13 64.037 0.072 A 14 SER N N 15 114.545 0.046 A 15 ASP H H 1 7.443 0.007 A 15 ASP HA H 1 4.704 0.009 A 15 ASP HBx H 1 2.561 0.015 A 15 ASP HBy H 1 2.724 0.012 A 15 ASP CA C 13 51.697 0.049 A 15 ASP CB C 13 42.344 0.075 A 15 ASP N N 15 117.860 0.028 A 16 PRO HA H 1 3.556 0.011 A 16 PRO HB2 H 1 1.864 0.009 A 16 PRO HB3 H 1 1.864 0.009 A 16 PRO HDx H 1 3.032 0.014 A 16 PRO HDy H 1 3.595 0.015 A 16 PRO C C 13 178.801 . A 16 PRO CA C 13 64.377 0.038 A 16 PRO CB C 13 31.568 0.07 A 16 PRO CD C 13 49.900 0.0 A 16 PRO CG C 13 26.727 . A 17 THR H H 1 7.858 0.007 A 17 THR HA H 1 3.759 0.015 A 17 THR HB H 1 4.031 0.009 A 17 THR HG2% H 1 1.038 0.013 A 17 THR C C 13 176.424 . A 17 THR CA C 13 66.554 0.065 A 17 THR CB C 13 67.664 0.057 A 17 THR CG2 C 13 21.805 0.071 A 17 THR N N 15 117.621 0.047 A 18 SER H H 1 8.654 0.006 A 18 SER HA H 1 3.871 0.008 A 18 SER HB2 H 1 3.799 0.013 A 18 SER HB3 H 1 3.799 0.013 A 18 SER C C 13 177.038 . A 18 SER CA C 13 61.906 0.051 A 18 SER CB C 13 61.877 0.016 A 18 SER N N 15 119.883 0.026 A 19 LYS H H 1 6.760 0.009 A 19 LYS HA H 1 2.613 0.007 A 19 LYS HBx H 1 1.396 0.014 A 19 LYS HBy H 1 1.593 0.014 A 19 LYS HE2 H 1 2.793 0.012 A 19 LYS HE3 H 1 2.793 0.012 A 19 LYS HG2 H 1 0.997 0.008 A 19 LYS HG3 H 1 0.997 0.008 A 19 LYS C C 13 176.639 . A 19 LYS CA C 13 59.487 0.059 A 19 LYS CB C 13 31.586 0.011 A 19 LYS CD C 13 28.802 . A 19 LYS CE C 13 43.094 . A 19 LYS CG C 13 25.300 0.002 A 19 LYS N N 15 121.563 0.025 A 20 MET H H 1 7.831 0.01 A 20 MET HA H 1 3.927 0.012 A 20 MET HBy H 1 2.527 0.014 A 20 MET HBx H 1 2.496 0.014 A 20 MET HE% H 1 1.933 0.014 A 20 MET HG2 H 1 2.049 0.013 A 20 MET HG3 H 1 2.049 0.013 A 20 MET C C 13 178.910 . A 20 MET CA C 13 58.719 0.028 A 20 MET CB C 13 31.756 0.074 A 20 MET CE C 13 16.780 0.058 A 20 MET CG C 13 31.692 0.036 A 20 MET N N 15 118.908 0.012 A 21 ARG H H 1 8.066 0.01 A 21 ARG HA H 1 3.905 0.008 A 21 ARG HB2 H 1 1.648 0.015 A 21 ARG HB3 H 1 1.648 0.015 A 21 ARG HD2 H 1 2.995 0.015 A 21 ARG HD3 H 1 2.995 0.015 A 21 ARG HG2 H 1 1.513 0.01 A 21 ARG HG3 H 1 1.513 0.01 A 21 ARG C C 13 179.107 . A 21 ARG CA C 13 58.807 0.029 A 21 ARG CB C 13 30.101 0.061 A 21 ARG CD C 13 43.078 . A 21 ARG CG C 13 27.802 0.004 A 21 ARG N N 15 118.164 0.029 A 22 HIS H H 1 7.374 0.008 A 22 HIS HA H 1 4.167 0.01 A 22 HIS HBx H 1 2.715 0.011 A 22 HIS HBy H 1 2.858 0.011 A 22 HIS HD2 H 1 6.966 0.004 A 22 HIS C C 13 178.014 . A 22 HIS CA C 13 58.912 0.066 A 22 HIS CB C 13 27.921 0.078 A 22 HIS CD2 C 13 130.823 0.0 A 22 HIS N N 15 117.794 0.023 A 23 LEU H H 1 8.385 0.01 A 23 LEU HA H 1 3.784 0.013 A 23 LEU HBx H 1 1.598 0.014 A 23 LEU HBy H 1 1.912 0.012 A 23 LEU HDx% H 1 1.146 0.014 A 23 LEU HDy% H 1 1.002 0.013 A 23 LEU C C 13 179.021 . A 23 LEU CA C 13 58.592 0.067 A 23 LEU CB C 13 41.658 0.064 A 23 LEU CDx C 13 24.716 0.047 A 23 LEU CDy C 13 25.930 0.044 A 23 LEU N N 15 122.319 0.052 A 24 GLU H H 1 7.122 0.012 A 24 GLU HA H 1 3.992 0.012 A 24 GLU HB2 H 1 1.983 0.011 A 24 GLU HB3 H 1 1.983 0.011 A 24 GLU HGx H 1 2.200 0.014 A 24 GLU HGy H 1 2.400 0.011 A 24 GLU C C 13 178.251 . A 24 GLU CA C 13 58.329 0.058 A 24 GLU CB C 13 29.417 0.073 A 24 GLU CG C 13 36.091 0.055 A 24 GLU N N 15 116.297 0.04 A 25 THR H H 1 7.557 0.01 A 25 THR HA H 1 4.010 0.013 A 25 THR HB H 1 3.921 0.014 A 25 THR HG2% H 1 1.091 0.015 A 25 THR C C 13 175.170 . A 25 THR CA C 13 63.499 0.059 A 25 THR CB C 13 69.177 0.074 A 25 THR CG2 C 13 21.666 0.065 A 25 THR N N 15 108.890 0.04 A 26 HIS H H 1 7.072 0.013 A 26 HIS HA H 1 4.467 . A 26 HIS HBx H 1 2.480 0.006 A 26 HIS HBy H 1 2.656 0.012 A 26 HIS HD2 H 1 6.443 0.006 A 26 HIS HE1 H 1 7.922 0.006 A 26 HIS CA C 13 55.261 . A 26 HIS CB C 13 28.642 0.039 A 26 HIS CD2 C 13 130.448 0.078 A 26 HIS CE1 C 13 142.848 0.001 A 26 HIS N N 15 118.044 0.05 A 33 LYS HB2 H 1 1.624 . A 33 LYS HB3 H 1 1.624 . A 33 LYS HD2 H 1 1.379 . A 33 LYS HD3 H 1 1.379 . A 33 LYS HE2 H 1 2.805 . A 33 LYS HE3 H 1 2.805 . A 33 LYS HG2 H 1 1.118 . A 33 LYS HG3 H 1 1.118 . A 33 LYS C C 13 175.338 . A 33 LYS CA C 13 55.275 . A 33 LYS CB C 13 34.112 . A 33 LYS CD C 13 28.650 . A 33 LYS CE C 13 41.702 . A 33 LYS CG C 13 24.468 . A 34 CYS H H 1 8.821 0.011 A 34 CYS HBx H 1 2.705 . A 34 CYS HBy H 1 3.313 . A 34 CYS CA C 13 57.333 . A 34 CYS CB C 13 30.249 . A 34 CYS N N 15 128.949 0.043 A 35 PRO HA H 1 4.338 . A 35 PRO HB2 H 1 2.415 . A 35 PRO HB3 H 1 2.415 . A 35 PRO HG2 H 1 2.017 0.009 A 35 PRO HG3 H 1 2.017 0.009 A 35 PRO C C 13 176.839 . A 35 PRO CA C 13 63.542 0.035 A 35 PRO CB C 13 31.808 0.02 A 35 PRO CD C 13 50.726 . A 35 PRO CG C 13 26.094 . A 36 HIS H H 1 9.104 0.007 A 36 HIS CA C 13 55.905 . A 36 HIS CB C 13 29.729 . A 36 HIS N N 15 118.804 0.039 A 37 CYS C C 13 173.009 . A 38 ASP H H 1 7.983 0.005 A 38 ASP C C 13 175.924 . A 38 ASP CA C 13 55.540 0.025 A 38 ASP CB C 13 40.725 0.06 A 38 ASP N N 15 115.754 0.018 A 39 LYS H H 1 8.148 0.01 A 39 LYS HA H 1 3.822 0.014 A 39 LYS HB2 H 1 1.280 0.006 A 39 LYS HB3 H 1 1.280 0.006 A 39 LYS HD2 H 1 1.310 0.014 A 39 LYS HD3 H 1 1.310 0.014 A 39 LYS HEx H 1 2.812 0.011 A 39 LYS HEy H 1 3.085 0.0 A 39 LYS HG2 H 1 1.029 0.006 A 39 LYS HG3 H 1 1.029 0.006 A 39 LYS C C 13 174.515 . A 39 LYS CA C 13 57.889 0.053 A 39 LYS CB C 13 33.464 0.051 A 39 LYS CD C 13 28.700 0.0 A 39 LYS CE C 13 42.555 . A 39 LYS CG C 13 26.009 0.02 A 39 LYS N N 15 122.198 0.057 A 40 LYS H H 1 7.597 0.006 A 40 LYS C C 13 175.043 . A 40 LYS CA C 13 54.586 0.073 A 40 LYS CB C 13 35.293 0.046 A 40 LYS CD C 13 29.274 . A 40 LYS CG C 13 24.785 . A 40 LYS N N 15 118.804 0.053 A 41 PHE H H 1 8.395 0.011 A 41 PHE HDx H 1 7.095 0.006 A 41 PHE HDy H 1 7.095 0.006 A 41 PHE HEx H 1 6.713 0.005 A 41 PHE HEy H 1 6.713 0.005 A 41 PHE HZ H 1 6.140 0.006 A 41 PHE CA C 13 57.208 . A 41 PHE CB C 13 43.475 . A 41 PHE CDx C 13 135.112 . A 41 PHE CDy C 13 135.112 . A 41 PHE CEx C 13 133.781 0.005 A 41 PHE CEy C 13 133.781 0.005 A 41 PHE CZ C 13 131.989 0.056 A 41 PHE N N 15 117.050 0.044 A 42 ASN HA H 1 4.190 0.002 A 42 ASN HB2 H 1 2.120 0.01 A 42 ASN HB3 H 1 2.120 0.01 A 42 ASN C C 13 174.947 . A 42 ASN CA C 13 55.807 0.01 A 42 ASN CB C 13 42.016 . A 43 GLN H H 1 7.740 0.013 A 43 GLN HG2 H 1 2.304 . A 43 GLN HG3 H 1 2.304 . A 43 GLN CA C 13 58.492 . A 43 GLN CB C 13 30.330 . A 43 GLN N N 15 118.321 0.06 A 44 VAL H H 1 8.859 . A 44 VAL HG1% H 1 0.600 0.012 A 44 VAL HG2% H 1 0.600 0.012 A 44 VAL C C 13 177.340 . A 44 VAL CA C 13 65.759 . A 44 VAL CB C 13 31.018 . A 44 VAL N N 15 125.715 . A 45 GLY H H 1 8.870 0.01 A 45 GLY HAx H 1 3.563 0.006 A 45 GLY HAy H 1 3.765 0.014 A 45 GLY C C 13 176.706 . A 45 GLY CA C 13 46.901 0.019 A 45 GLY N N 15 108.836 0.06 A 46 ASN H H 1 6.995 0.006 A 46 ASN HA H 1 4.441 0.015 A 46 ASN HB2 H 1 2.816 0.013 A 46 ASN HB3 H 1 2.816 0.013 A 46 ASN C C 13 177.372 . A 46 ASN CA C 13 54.836 0.064 A 46 ASN CB C 13 37.777 0.041 A 46 ASN N N 15 118.342 0.044 A 47 LEU H H 1 6.876 0.012 A 47 LEU HA H 1 2.937 0.011 A 47 LEU HBy H 1 1.866 0.015 A 47 LEU HBx H 1 1.071 0.013 A 47 LEU HD1% H 1 0.822 0.013 A 47 LEU HD2% H 1 0.822 0.013 A 47 LEU HG H 1 1.315 0.014 A 47 LEU C C 13 177.264 . A 47 LEU CA C 13 57.847 0.039 A 47 LEU CB C 13 39.999 0.032 A 47 LEU CD1 C 13 23.478 . A 47 LEU CD2 C 13 23.478 . A 47 LEU CG C 13 26.208 . A 47 LEU N N 15 123.407 0.057 A 48 LYS H H 1 8.180 0.009 A 48 LYS HA H 1 3.665 0.011 A 48 LYS HB2 H 1 1.680 0.009 A 48 LYS HB3 H 1 1.680 0.009 A 48 LYS HD2 H 1 1.458 0.01 A 48 LYS HD3 H 1 1.458 0.01 A 48 LYS HE2 H 1 2.733 0.004 A 48 LYS HE3 H 1 2.733 0.004 A 48 LYS HG2 H 1 1.226 0.003 A 48 LYS HG3 H 1 1.226 0.003 A 48 LYS C C 13 178.767 . A 48 LYS CA C 13 59.956 0.018 A 48 LYS CB C 13 31.843 0.059 A 48 LYS CD C 13 29.097 0.009 A 48 LYS CE C 13 42.424 0.042 A 48 LYS CG C 13 25.703 0.008 A 48 LYS N N 15 117.891 0.044 A 49 ALA H H 1 7.193 0.011 A 49 ALA HA H 1 3.946 0.011 A 49 ALA HB% H 1 1.304 0.013 A 49 ALA C C 13 179.732 . A 49 ALA CA C 13 54.564 0.067 A 49 ALA CB C 13 18.174 0.051 A 49 ALA N N 15 119.002 0.03 A 50 HIS H H 1 7.324 0.009 A 50 HIS HA H 1 4.083 0.015 A 50 HIS HBy H 1 3.055 0.014 A 50 HIS HBx H 1 2.825 0.012 A 50 HIS HD2 H 1 7.070 0.007 A 50 HIS HE1 H 1 7.865 0.015 A 50 HIS C C 13 176.003 . A 50 HIS CA C 13 58.898 0.017 A 50 HIS CB C 13 28.544 0.069 A 50 HIS CD2 C 13 130.560 0.037 A 50 HIS N N 15 118.664 0.045 A 51 LEU H H 1 8.085 0.007 A 51 LEU HA H 1 3.676 0.015 A 51 LEU HBy H 1 1.803 0.014 A 51 LEU HBx H 1 1.486 0.011 A 51 LEU HD1% H 1 0.886 0.012 A 51 LEU HD2% H 1 0.886 0.012 A 51 LEU HG H 1 1.137 0.004 A 51 LEU C C 13 178.470 . A 51 LEU CA C 13 58.047 0.012 A 51 LEU CB C 13 41.905 0.044 A 51 LEU CD1 C 13 25.642 0.076 A 51 LEU CD2 C 13 25.642 0.076 A 51 LEU CG C 13 24.504 0.013 A 51 LEU N N 15 116.715 0.006 A 52 LYS H H 1 6.883 0.012 A 52 LYS HA H 1 3.832 0.011 A 52 LYS HB2 H 1 1.689 0.009 A 52 LYS HB3 H 1 1.689 0.009 A 52 LYS HD2 H 1 1.553 0.013 A 52 LYS HD3 H 1 1.553 0.013 A 52 LYS HE2 H 1 2.849 0.002 A 52 LYS HE3 H 1 2.849 0.002 A 52 LYS HG2 H 1 1.328 0.014 A 52 LYS HG3 H 1 1.328 0.014 A 52 LYS C C 13 178.357 . A 52 LYS CA C 13 58.417 0.034 A 52 LYS CB C 13 32.112 0.025 A 52 LYS CD C 13 28.897 0.007 A 52 LYS CE C 13 40.271 . A 52 LYS CG C 13 24.602 0.005 A 52 LYS N N 15 115.588 0.055 A 53 ILE H H 1 7.655 0.011 A 53 ILE HA H 1 3.831 0.009 A 53 ILE HB H 1 1.568 0.013 A 53 ILE HG12 H 1 0.791 0.011 A 53 ILE HG13 H 1 0.791 0.011 A 53 ILE HG2% H 1 0.484 0.014 A 53 ILE C C 13 177.054 . A 53 ILE CA C 13 62.683 0.06 A 53 ILE CB C 13 37.501 0.044 A 53 ILE CD1 C 13 14.169 . A 53 ILE CG1 C 13 25.093 0.017 A 53 ILE CG2 C 13 16.399 . A 53 ILE N N 15 115.446 0.037 A 54 HIS H H 1 7.100 0.013 A 54 HIS HA H 1 4.462 0.004 A 54 HIS HB2 H 1 2.677 0.013 A 54 HIS HB3 H 1 2.677 0.013 A 54 HIS HD2 H 1 6.454 0.002 A 54 HIS C C 13 174.896 . A 54 HIS CA C 13 55.395 0.054 A 54 HIS CB C 13 28.564 0.065 A 54 HIS CD2 C 13 130.631 0.005 A 54 HIS N N 15 117.283 0.056 A 55 ILE H H 1 7.247 0.012 A 55 ILE HA H 1 3.884 0.015 A 55 ILE HB H 1 1.719 0.01 A 55 ILE HD1% H 1 0.708 0.012 A 55 ILE HG1y H 1 1.341 0.013 A 55 ILE HG1x H 1 1.021 0.011 A 55 ILE HG2% H 1 0.759 0.013 A 55 ILE C C 13 175.788 . A 55 ILE CA C 13 61.915 0.073 A 55 ILE CB C 13 38.420 0.068 A 55 ILE CD1 C 13 12.996 0.057 A 55 ILE CG1 C 13 27.339 0.034 A 55 ILE CG2 C 13 17.415 0.074 A 55 ILE N N 15 119.709 0.047 A 56 ALA H H 1 8.009 0.011 A 56 ALA HA H 1 4.197 0.014 A 56 ALA HB% H 1 1.223 0.013 A 56 ALA C C 13 177.042 . A 56 ALA CA C 13 52.204 0.056 A 56 ALA CB C 13 19.190 0.068 A 56 ALA N N 15 126.276 0.056 A 57 ASP H H 1 7.924 0.009 A 57 ASP HA H 1 4.447 0.008 A 57 ASP HB2 H 1 2.516 0.013 A 57 ASP HB3 H 1 2.516 0.013 A 57 ASP C C 13 176.200 . A 57 ASP CA C 13 54.257 0.059 A 57 ASP CB C 13 41.256 0.041 A 57 ASP N N 15 119.736 0.044 A 58 GLY H H 1 7.903 0.009 A 58 GLY HAx H 1 3.916 0.01 A 58 GLY HAy H 1 3.994 0.008 A 58 GLY CA C 13 44.961 0.075 A 58 GLY N N 15 108.482 0.048 A 59 PRO HA H 1 4.352 0.0 A 59 PRO HB2 H 1 2.093 0.008 A 59 PRO HB3 H 1 2.093 0.008 A 59 PRO HD2 H 1 3.483 0.009 A 59 PRO HD3 H 1 3.483 0.009 A 59 PRO HG2 H 1 1.822 0.014 A 59 PRO HG3 H 1 1.822 0.014 A 59 PRO C C 13 176.875 . A 59 PRO CA C 13 63.480 0.064 A 59 PRO CB C 13 31.639 . A 59 PRO CD C 13 49.803 0.018 A 59 PRO CG C 13 26.989 0.039 A 60 LEU H H 1 8.314 0.009 A 60 LEU HA H 1 4.313 0.011 A 60 LEU HBx H 1 1.426 0.01 A 60 LEU HBy H 1 1.618 0.015 A 60 LEU HD1% H 1 0.585 0.015 A 60 LEU HD2% H 1 0.610 0.012 A 60 LEU HG H 1 1.424 0.013 A 60 LEU C C 13 174.836 . A 60 LEU CA C 13 54.188 0.06 A 60 LEU CB C 13 41.692 0.037 A 60 LEU CDx C 13 23.005 0.045 A 60 LEU CDy C 13 25.524 0.06 A 60 LEU CG C 13 26.901 0.003 A 60 LEU N N 15 120.479 0.034 A 61 LYS H H 1 7.587 0.01 A 61 LYS HA H 1 4.907 0.014 A 61 LYS HB2 H 1 1.431 0.013 A 61 LYS HB3 H 1 1.431 0.013 A 61 LYS HD2 H 1 1.427 0.011 A 61 LYS HD3 H 1 1.427 0.011 A 61 LYS HE2 H 1 2.782 0.012 A 61 LYS HE3 H 1 2.782 0.012 A 61 LYS HG2 H 1 0.973 0.012 A 61 LYS HG3 H 1 0.973 0.012 A 61 LYS C C 13 175.533 . A 61 LYS CA C 13 54.322 0.054 A 61 LYS CB C 13 35.449 0.035 A 61 LYS CD C 13 29.395 0.01 A 61 LYS CE C 13 41.411 0.018 A 61 LYS CG C 13 25.191 . A 61 LYS N N 15 120.279 0.057 A 62 CYS H H 1 9.008 0.012 A 62 CYS HA H 1 4.349 0.013 A 62 CYS HBx H 1 2.727 0.01 A 62 CYS HBy H 1 3.195 0.013 A 62 CYS C C 13 177.533 . A 62 CYS CA C 13 59.489 0.046 A 62 CYS CB C 13 29.664 0.074 A 62 CYS N N 15 127.047 0.06 A 63 ARG H H 1 9.213 0.008 A 63 ARG HA H 1 3.996 0.015 A 63 ARG HB2 H 1 1.789 0.013 A 63 ARG HB3 H 1 1.789 0.013 A 63 ARG HD2 H 1 3.085 0.013 A 63 ARG HD3 H 1 3.085 0.013 A 63 ARG HG2 H 1 1.586 0.013 A 63 ARG HG3 H 1 1.586 0.013 A 63 ARG C C 13 176.307 . A 63 ARG CA C 13 58.135 0.061 A 63 ARG CB C 13 29.869 0.078 A 63 ARG CD C 13 43.293 0.028 A 63 ARG CG C 13 27.124 0.035 A 63 ARG N N 15 131.833 0.032 A 64 GLU H H 1 8.674 0.007 A 64 GLU HA H 1 4.075 0.012 A 64 GLU HBy H 1 1.186 0.009 A 64 GLU HBx H 1 1.008 0.004 A 64 GLU HG2 H 1 1.675 0.014 A 64 GLU HG3 H 1 1.675 0.014 A 64 GLU C C 13 177.231 . A 64 GLU CA C 13 57.835 0.022 A 64 GLU CB C 13 29.173 0.048 A 64 GLU CG C 13 35.257 0.051 A 64 GLU N N 15 120.210 0.058 A 65 CYS H H 1 8.115 0.008 A 65 CYS HA H 1 5.028 0.01 A 65 CYS HBx H 1 2.723 0.011 A 65 CYS HBy H 1 3.309 0.012 A 65 CYS C C 13 176.295 . A 65 CYS CA C 13 58.223 0.037 A 65 CYS CB C 13 32.339 0.061 A 65 CYS N N 15 115.424 0.057 A 66 GLY H H 1 7.984 0.011 A 66 GLY HAx H 1 3.630 0.013 A 66 GLY HAy H 1 4.080 0.014 A 66 GLY C C 13 173.337 . A 66 GLY CA C 13 46.164 0.06 A 66 GLY N N 15 113.249 0.039 A 67 LYS H H 1 7.700 0.009 A 67 LYS HA H 1 3.824 0.009 A 67 LYS HBx H 1 1.082 0.015 A 67 LYS HBy H 1 1.317 0.007 A 67 LYS HD2 H 1 1.335 0.009 A 67 LYS HD3 H 1 1.335 0.009 A 67 LYS HEx H 1 2.798 0.009 A 67 LYS HEy H 1 2.836 0.011 A 67 LYS HG2 H 1 0.923 0.014 A 67 LYS HG3 H 1 0.923 0.014 A 67 LYS C C 13 174.006 . A 67 LYS CA C 13 57.937 0.071 A 67 LYS CB C 13 33.563 0.059 A 67 LYS CD C 13 28.967 0.043 A 67 LYS CE C 13 42.133 0.037 A 67 LYS CG C 13 26.138 . A 67 LYS N N 15 122.126 0.044 A 68 GLN H H 1 7.911 0.005 A 68 GLN HA H 1 4.678 0.011 A 68 GLN HBx H 1 1.603 0.01 A 68 GLN HBy H 1 1.738 0.004 A 68 GLN HE21 H 1 6.720 0.01 A 68 GLN HE22 H 1 7.445 0.009 A 68 GLN HG2 H 1 2.037 0.011 A 68 GLN HG3 H 1 2.037 0.011 A 68 GLN C C 13 174.813 . A 68 GLN CA C 13 54.550 0.069 A 68 GLN CB C 13 31.199 0.003 A 68 GLN CG C 13 34.108 0.045 A 68 GLN N N 15 120.787 0.059 A 68 GLN NE2 N 15 111.914 0.054 A 69 PHE H H 1 8.308 0.01 A 69 PHE HBy H 1 3.121 0.009 A 69 PHE HBx H 1 2.540 0.015 A 69 PHE HDx H 1 7.040 0.011 A 69 PHE HDy H 1 7.040 0.011 A 69 PHE HZ H 1 5.878 0.001 A 69 PHE C C 13 175.241 . A 69 PHE CA C 13 57.347 0.051 A 69 PHE CB C 13 43.408 0.061 A 69 PHE CDx C 13 135.014 0.033 A 69 PHE CDy C 13 135.014 0.033 A 69 PHE CZ C 13 131.475 . A 69 PHE N N 15 120.205 0.059 A 70 THR H H 1 9.023 0.005 A 70 THR HA H 1 4.267 0.009 A 70 THR HB H 1 4.284 0.007 A 70 THR HG2% H 1 1.123 0.014 A 70 THR C C 13 175.435 . A 70 THR CA C 13 62.819 0.028 A 70 THR CB C 13 69.591 0.076 A 70 THR CG2 C 13 22.256 0.075 A 70 THR N N 15 108.936 0.034 A 71 THR H H 1 7.150 0.011 A 71 THR HA H 1 4.732 0.002 A 71 THR HB H 1 4.444 0.014 A 71 THR HG2% H 1 1.107 0.011 A 71 THR C C 13 174.614 . A 71 THR CA C 13 58.874 0.024 A 71 THR CB C 13 72.806 0.031 A 71 THR N N 15 108.345 0.042 A 72 SER H H 1 9.243 0.007 A 72 SER HA H 1 3.900 0.013 A 72 SER HB2 H 1 3.807 0.015 A 72 SER HB3 H 1 3.807 0.015 A 72 SER C C 13 177.313 . A 72 SER CA C 13 61.112 0.052 A 72 SER CB C 13 62.316 0.04 A 72 SER N N 15 119.177 0.031 A 73 GLY H H 1 8.661 0.007 A 73 GLY HA2 H 1 3.804 0.014 A 73 GLY HA3 H 1 3.804 0.014 A 73 GLY C C 13 176.236 . A 73 GLY CA C 13 46.952 0.067 A 73 GLY N N 15 110.453 0.019 A 74 ASN H H 1 7.740 0.006 A 74 ASN HA H 1 4.397 0.012 A 74 ASN HB2 H 1 2.821 0.013 A 74 ASN HB3 H 1 2.821 0.013 A 74 ASN C C 13 177.974 . A 74 ASN CA C 13 55.210 0.021 A 74 ASN CB C 13 37.623 0.079 A 74 ASN N N 15 120.577 0.015 A 75 LEU H H 1 7.343 0.009 A 75 LEU HA H 1 2.948 0.013 A 75 LEU HBx H 1 1.041 0.015 A 75 LEU HBy H 1 1.841 0.013 A 75 LEU HDx% H 1 0.793 0.011 A 75 LEU HDy% H 1 0.704 0.013 A 75 LEU HG H 1 1.346 0.007 A 75 LEU C C 13 177.097 . A 75 LEU CA C 13 57.968 0.078 A 75 LEU CB C 13 40.520 0.079 A 75 LEU CDy C 13 26.273 0.058 A 75 LEU CDx C 13 22.725 0.056 A 75 LEU CG C 13 26.908 0.021 A 75 LEU N N 15 123.304 0.046 A 76 LYS H H 1 8.254 0.01 A 76 LYS HA H 1 3.648 0.008 A 76 LYS HB2 H 1 1.721 0.014 A 76 LYS HB3 H 1 1.721 0.014 A 76 LYS HD2 H 1 1.487 0.013 A 76 LYS HD3 H 1 1.487 0.013 A 76 LYS HE2 H 1 2.780 0.011 A 76 LYS HE3 H 1 2.780 0.011 A 76 LYS HG2 H 1 1.233 0.012 A 76 LYS HG3 H 1 1.232 0.012 A 76 LYS C C 13 179.149 . A 76 LYS CA C 13 60.272 0.053 A 76 LYS CB C 13 31.908 0.072 A 76 LYS CD C 13 29.270 0.048 A 76 LYS CE C 13 41.796 0.008 A 76 LYS CG C 13 25.900 0.001 A 76 LYS N N 15 118.414 0.03 A 77 ARG H H 1 7.452 0.009 A 77 ARG HA H 1 3.799 0.008 A 77 ARG HB2 H 1 1.692 0.014 A 77 ARG HB3 H 1 1.692 0.014 A 77 ARG HD2 H 1 3.057 0.012 A 77 ARG HD3 H 1 3.057 0.012 A 77 ARG HG2 H 1 1.439 0.009 A 77 ARG HG3 H 1 1.439 0.009 A 77 ARG C C 13 178.514 . A 77 ARG CA C 13 59.234 0.037 A 77 ARG CB C 13 30.442 0.07 A 77 ARG CD C 13 43.205 0.01 A 77 ARG CG C 13 27.980 0.018 A 77 ARG N N 15 117.219 0.057 A 78 HIS H H 1 7.306 0.012 A 78 HIS HA H 1 4.039 0.011 A 78 HIS HBy H 1 2.931 0.01 A 78 HIS HBx H 1 2.643 0.015 A 78 HIS HD2 H 1 6.719 0.015 A 78 HIS HE1 H 1 7.900 0.003 A 78 HIS C C 13 175.930 . A 78 HIS CA C 13 59.113 0.075 A 78 HIS CB C 13 28.286 0.065 A 78 HIS CD2 C 13 130.741 . A 78 HIS CE1 C 13 142.456 . A 78 HIS N N 15 119.279 0.042 A 79 LEU H H 1 8.084 0.009 A 79 LEU HA H 1 3.643 0.013 A 79 LEU HBx H 1 1.415 0.014 A 79 LEU HBy H 1 1.755 0.011 A 79 LEU HD1% H 1 0.840 0.013 A 79 LEU HD2% H 1 0.840 0.013 A 79 LEU HG H 1 1.083 0.013 A 79 LEU C C 13 178.932 . A 79 LEU CA C 13 57.964 0.034 A 79 LEU CB C 13 41.703 0.061 A 79 LEU CD1 C 13 25.641 0.055 A 79 LEU CD2 C 13 25.641 0.055 A 79 LEU CG C 13 24.335 0.049 A 79 LEU N N 15 116.633 0.031 A 80 ARG H H 1 6.954 0.011 A 80 ARG HA H 1 3.936 0.011 A 80 ARG HB2 H 1 1.677 0.008 A 80 ARG HB3 H 1 1.677 0.008 A 80 ARG HD2 H 1 3.053 0.01 A 80 ARG HD3 H 1 3.053 0.01 A 80 ARG HG2 H 1 1.540 0.012 A 80 ARG HG3 H 1 1.540 0.012 A 80 ARG C C 13 178.644 . A 80 ARG CA C 13 58.327 0.054 A 80 ARG CB C 13 29.806 0.043 A 80 ARG CD C 13 43.397 0.007 A 80 ARG CG C 13 27.104 0.009 A 80 ARG N N 15 116.912 0.049 A 81 ILE H H 1 7.763 0.009 A 81 ILE HA H 1 3.798 0.006 A 81 ILE HB H 1 1.536 0.01 A 81 ILE HD1% H 1 0.564 0.014 A 81 ILE HG12 H 1 0.786 0.011 A 81 ILE HG13 H 1 0.786 0.011 A 81 ILE HG2% H 1 0.443 0.011 A 81 ILE C C 13 177.513 . A 81 ILE CA C 13 63.010 0.058 A 81 ILE CB C 13 37.270 0.061 A 81 ILE N N 15 116.941 0.024 A 82 HIS H H 1 6.975 0.013 A 82 HIS HA H 1 4.627 0.005 A 82 HIS HBy H 1 3.196 0.008 A 82 HIS HBx H 1 2.951 0.01 A 82 HIS HD2 H 1 6.516 0.008 A 82 HIS HE1 H 1 7.882 0.011 A 82 HIS C C 13 175.365 . A 82 HIS CA C 13 55.064 0.047 A 82 HIS CB C 13 28.514 0.032 A 82 HIS CD2 C 13 130.548 0.028 A 82 HIS CE1 C 13 142.545 0.07 A 82 HIS N N 15 117.229 0.046 A 83 SER H H 1 7.586 0.007 A 83 SER HA H 1 4.261 0.01 A 83 SER HB2 H 1 3.775 0.012 A 83 SER HB3 H 1 3.775 0.012 A 83 SER C C 13 174.859 . A 83 SER CA C 13 59.132 0.053 A 83 SER CB C 13 63.674 0.037 A 83 SER N N 15 114.372 0.051 A 84 GLY H H 1 8.061 0.005 A 84 GLY HA2 H 1 3.816 0.013 A 84 GLY HA3 H 1 3.816 0.013 A 84 GLY C C 13 174.031 . A 84 GLY CA C 13 45.361 0.07 A 84 GLY N N 15 110.203 0.018 A 85 GLU H H 1 7.881 0.01 A 85 GLU HA H 1 4.085 0.012 A 85 GLU HBx H 1 1.807 0.012 A 85 GLU HBy H 1 1.873 0.012 A 85 GLU HGx H 1 2.113 0.014 A 85 GLU HGy H 1 2.141 0.009 A 85 GLU C C 13 176.197 . A 85 GLU CA C 13 56.641 0.071 A 85 GLU CB C 13 30.408 0.042 A 85 GLU CG C 13 36.140 0.054 A 85 GLU N N 15 119.951 0.02 A 86 LYS H H 1 8.079 0.009 A 86 LYS HA H 1 4.391 0.012 A 86 LYS HB2 H 1 1.440 0.013 A 86 LYS HB3 H 1 1.440 0.013 A 86 LYS HD2 H 1 1.207 0.014 A 86 LYS HD3 H 1 1.207 0.014 A 86 LYS HG2 H 1 1.069 0.007 A 86 LYS HG3 H 1 1.069 0.007 A 86 LYS CA C 13 53.803 0.006 A 86 LYS CB C 13 33.098 0.008 A 86 LYS N N 15 121.528 0.041 A 87 PRO HA H 1 4.165 0.011 A 87 PRO HB2 H 1 1.871 0.014 A 87 PRO HB3 H 1 1.871 0.014 A 87 PRO HD2 H 1 3.451 0.009 A 87 PRO HD3 H 1 3.451 0.009 A 87 PRO HG2 H 1 1.677 0.007 A 87 PRO HG3 H 1 1.677 0.007 A 87 PRO C C 13 176.103 . A 87 PRO CA C 13 63.071 0.068 A 87 PRO CB C 13 31.922 0.036 A 87 PRO CD C 13 49.706 0.016 A 87 PRO CG C 13 26.478 0.076 A 88 TYR H H 1 7.917 0.006 A 88 TYR HA H 1 4.453 0.014 A 88 TYR HB2 H 1 2.763 0.011 A 88 TYR HB3 H 1 2.764 0.011 A 88 TYR HDx H 1 6.883 0.01 A 88 TYR HDy H 1 6.883 0.01 A 88 TYR C C 13 174.419 . A 88 TYR CA C 13 57.597 0.042 A 88 TYR CB C 13 37.762 0.058 A 88 TYR CDx C 13 136.067 0.026 A 88 TYR CDy C 13 136.067 0.026 A 88 TYR N N 15 119.446 0.054 A 89 VAL H H 1 8.195 0.007 A 89 VAL HA H 1 4.578 0.011 A 89 VAL HB H 1 1.702 0.013 A 89 VAL HGx% H 1 0.649 0.011 A 89 VAL HGy% H 1 0.599 0.013 A 89 VAL C C 13 175.019 . A 89 VAL CA C 13 60.879 0.054 A 89 VAL CB C 13 34.764 0.029 A 89 VAL CGy C 13 21.513 0.065 A 89 VAL CGx C 13 20.584 0.048 A 89 VAL N N 15 123.957 0.037 A 90 CYS H H 1 8.869 0.009 A 90 CYS HA H 1 4.504 0.013 A 90 CYS HBx H 1 2.753 0.012 A 90 CYS HBy H 1 3.275 0.01 A 90 CYS C C 13 177.110 . A 90 CYS CA C 13 59.226 0.065 A 90 CYS CB C 13 29.983 0.071 A 90 CYS N N 15 128.789 0.03 A 91 ILE H H 1 8.687 0.007 A 91 ILE HA H 1 3.915 0.01 A 91 ILE HB H 1 1.700 0.007 A 91 ILE HD1% H 1 0.749 0.007 A 91 ILE HG12 H 1 0.957 0.012 A 91 ILE HG13 H 1 0.957 0.012 A 91 ILE HG2% H 1 0.625 0.009 A 91 ILE C C 13 175.617 . A 91 ILE CA C 13 62.872 0.064 A 91 ILE CB C 13 37.599 0.048 A 91 ILE CD1 C 13 13.948 . A 91 ILE CG1 C 13 28.529 . A 91 ILE CG2 C 13 17.542 0.027 A 91 ILE N N 15 128.330 0.035 A 92 HIS H H 1 8.526 0.015 A 92 HIS HA H 1 4.204 0.013 A 92 HIS HBx H 1 1.768 0.013 A 92 HIS HBy H 1 2.205 0.013 A 92 HIS C C 13 176.698 . A 92 HIS CA C 13 57.915 0.038 A 92 HIS CB C 13 29.583 0.068 A 92 HIS N N 15 121.590 0.059 A 93 CYS H H 1 7.958 0.013 A 93 CYS HA H 1 5.023 0.007 A 93 CYS HBy H 1 3.312 0.015 A 93 CYS HBx H 1 2.723 0.014 A 93 CYS C C 13 174.973 . A 93 CYS CA C 13 58.432 0.033 A 93 CYS CB C 13 32.158 0.072 A 93 CYS N N 15 115.876 0.021 A 94 GLN H H 1 8.178 0.011 A 94 GLN HA H 1 3.876 0.012 A 94 GLN HBy H 1 2.306 0.011 A 94 GLN HBx H 1 2.186 0.007 A 94 GLN HE21 H 1 7.129 0.01 A 94 GLN HE22 H 1 6.368 0.004 A 94 GLN HG2 H 1 2.099 0.015 A 94 GLN HG3 H 1 2.099 0.015 A 94 GLN C C 13 174.707 . A 94 GLN CA C 13 58.288 0.073 A 94 GLN CB C 13 25.429 0.055 A 94 GLN CG C 13 34.360 0.054 A 94 GLN N N 15 116.348 0.034 A 94 GLN NE2 N 15 112.157 0.053 A 95 ARG H H 1 7.856 0.011 A 95 ARG HA H 1 3.927 0.012 A 95 ARG HBy H 1 1.354 0.012 A 95 ARG HBx H 1 1.201 0.015 A 95 ARG HDx H 1 2.758 0.009 A 95 ARG HDy H 1 2.976 0.008 A 95 ARG HGy H 1 1.705 0.011 A 95 ARG HGx H 1 1.671 0.015 A 95 ARG C C 13 174.113 . A 95 ARG CA C 13 57.979 0.031 A 95 ARG CB C 13 31.403 0.038 A 95 ARG CD C 13 43.547 0.078 A 95 ARG CG C 13 28.398 0.018 A 95 ARG N N 15 121.105 0.053 A 96 GLN H H 1 7.833 0.007 A 96 GLN HA H 1 4.845 0.011 A 96 GLN HB2 H 1 2.034 0.014 A 96 GLN HB3 H 1 2.034 0.014 A 96 GLN HG2 H 1 2.189 0.012 A 96 GLN HG3 H 1 2.189 0.012 A 96 GLN C C 13 174.982 . A 96 GLN CA C 13 54.273 0.056 A 96 GLN CB C 13 31.188 0.035 A 96 GLN CG C 13 34.060 . A 96 GLN N N 15 119.070 0.045 A 97 PHE H H 1 8.875 0.008 A 97 PHE HA H 1 4.456 0.014 A 97 PHE HBx H 1 2.596 0.009 A 97 PHE HBy H 1 3.114 0.011 A 97 PHE HDx H 1 7.039 0.012 A 97 PHE HDy H 1 7.039 0.012 A 97 PHE HEx H 1 6.665 0.002 A 97 PHE HEy H 1 6.665 0.002 A 97 PHE HZ H 1 5.869 0.005 A 97 PHE C C 13 174.888 . A 97 PHE CA C 13 57.285 0.011 A 97 PHE CB C 13 43.463 0.069 A 97 PHE CDx C 13 135.172 0.041 A 97 PHE CDy C 13 135.172 0.041 A 97 PHE CZ C 13 131.433 0.017 A 97 PHE N N 15 118.706 0.052 A 98 ALA H H 1 9.019 0.01 A 98 ALA HA H 1 4.462 0.014 A 98 ALA HB% H 1 1.454 0.011 A 98 ALA C C 13 176.342 . A 98 ALA CA C 13 53.297 0.015 A 98 ALA CB C 13 19.970 0.057 A 98 ALA N N 15 121.599 0.032 A 99 ASP H H 1 7.323 0.006 A 99 ASP HA H 1 4.742 0.013 A 99 ASP HBx H 1 2.535 0.014 A 99 ASP HBy H 1 2.666 0.013 A 99 ASP CA C 13 51.162 0.064 A 99 ASP CB C 13 42.663 0.035 A 99 ASP N N 15 114.064 0.051 A 100 PRO HA H 1 3.463 0.014 A 100 PRO HBy H 1 1.712 0.012 A 100 PRO HBx H 1 1.641 0.011 A 100 PRO HDx H 1 3.025 0.008 A 100 PRO HDy H 1 3.617 0.01 A 100 PRO HGx H 1 1.556 0.007 A 100 PRO HGy H 1 1.811 0.014 A 100 PRO C C 13 178.935 . A 100 PRO CA C 13 64.030 0.075 A 100 PRO CB C 13 31.142 0.071 A 100 PRO CD C 13 50.016 0.034 A 100 PRO CG C 13 26.824 0.024 A 101 GLY H H 1 8.262 0.01 A 101 GLY HA2 H 1 3.630 0.011 A 101 GLY HA3 H 1 3.630 0.011 A 101 GLY C C 13 175.852 . A 101 GLY CA C 13 46.678 0.054 A 101 GLY N N 15 110.226 0.057 A 102 ALA H H 1 8.019 0.005 A 102 ALA HA H 1 3.817 0.012 A 102 ALA HB% H 1 1.465 0.011 A 102 ALA C C 13 180.540 . A 102 ALA CA C 13 54.496 0.046 A 102 ALA CB C 13 18.812 0.071 A 102 ALA N N 15 125.555 0.035 A 103 LEU H H 1 6.789 0.009 A 103 LEU HA H 1 2.975 0.008 A 103 LEU HBy H 1 1.706 0.013 A 103 LEU HBx H 1 1.029 0.009 A 103 LEU HDx% H 1 0.775 0.01 A 103 LEU HDy% H 1 0.864 0.015 A 103 LEU HG H 1 1.429 0.01 A 103 LEU C C 13 176.809 . A 103 LEU CA C 13 57.588 0.064 A 103 LEU CB C 13 40.519 0.066 A 103 LEU CDx C 13 23.066 0.038 A 103 LEU CDy C 13 23.359 0.026 A 103 LEU CG C 13 26.606 . A 103 LEU N N 15 118.329 0.033 A 104 GLN H H 1 7.861 0.009 A 104 GLN HA H 1 3.800 0.011 A 104 GLN HB2 H 1 1.990 0.014 A 104 GLN HB3 H 1 1.990 0.014 A 104 GLN HE21 H 1 6.657 0.015 A 104 GLN HE22 H 1 7.476 0.011 A 104 GLN HGx H 1 2.220 0.015 A 104 GLN HGy H 1 2.304 0.009 A 104 GLN C C 13 178.340 . A 104 GLN CA C 13 58.869 0.057 A 104 GLN CB C 13 27.988 0.053 A 104 GLN CG C 13 33.706 0.078 A 104 GLN N N 15 118.337 0.053 A 104 GLN NE2 N 15 111.002 0.052 A 105 ARG H H 1 7.707 0.005 A 105 ARG HA H 1 3.815 0.009 A 105 ARG HB2 H 1 1.640 0.011 A 105 ARG HB3 H 1 1.639 0.011 A 105 ARG HD2 H 1 3.062 0.008 A 105 ARG HD3 H 1 3.062 0.008 A 105 ARG HG2 H 1 1.332 0.008 A 105 ARG HG3 H 1 1.332 0.008 A 105 ARG C C 13 178.351 . A 105 ARG CA C 13 58.968 0.054 A 105 ARG CB C 13 30.210 0.055 A 105 ARG CD C 13 43.004 0.009 A 105 ARG CG C 13 28.003 0.008 A 105 ARG N N 15 116.516 0.04 A 106 HIS H H 1 7.363 0.01 A 106 HIS HA H 1 4.103 0.014 A 106 HIS HBx H 1 2.703 0.011 A 106 HIS HBy H 1 2.900 0.01 A 106 HIS HD2 H 1 6.681 0.004 A 106 HIS HE1 H 1 7.878 . A 106 HIS C C 13 176.619 . A 106 HIS CA C 13 59.059 0.077 A 106 HIS CB C 13 28.524 0.075 A 106 HIS N N 15 118.237 0.053 A 107 VAL H H 1 8.352 0.008 A 107 VAL HA H 1 3.473 0.012 A 107 VAL HB H 1 2.207 0.014 A 107 VAL HGx% H 1 1.257 0.013 A 107 VAL HGy% H 1 1.191 0.014 A 107 VAL C C 13 176.810 . A 107 VAL CA C 13 66.042 0.036 A 107 VAL CB C 13 31.888 0.07 A 107 VAL CGy C 13 22.376 0.024 A 107 VAL CGx C 13 21.848 0.048 A 107 VAL N N 15 114.907 0.041 A 108 ARG H H 1 6.735 0.008 A 108 ARG HA H 1 4.002 0.009 A 108 ARG HB2 H 1 1.614 0.008 A 108 ARG HB3 H 1 1.614 0.008 A 108 ARG HD2 H 1 3.048 0.007 A 108 ARG HD3 H 1 3.048 0.007 A 108 ARG HG2 H 1 1.515 0.01 A 108 ARG HG3 H 1 1.515 0.01 A 108 ARG C C 13 178.341 . A 108 ARG CA C 13 57.871 0.067 A 108 ARG CB C 13 29.759 0.041 A 108 ARG CD C 13 43.062 0.065 A 108 ARG CG C 13 27.003 0.006 A 108 ARG N N 15 117.784 0.052 A 109 ILE H H 1 7.712 0.01 A 109 ILE HA H 1 3.813 0.015 A 109 ILE HB H 1 1.548 0.013 A 109 ILE HD1% H 1 0.526 0.013 A 109 ILE HG1x H 1 0.754 0.015 A 109 ILE HG1y H 1 0.815 0.015 A 109 ILE HG2% H 1 0.441 0.015 A 109 ILE C C 13 176.877 . A 109 ILE CA C 13 63.016 0.054 A 109 ILE CB C 13 37.442 0.052 A 109 ILE CD1 C 13 14.638 0.053 A 109 ILE CG1 C 13 26.404 0.037 A 109 ILE CG2 C 13 16.582 0.078 A 109 ILE N N 15 116.281 0.024 A 110 HIS H H 1 7.299 0.008 A 110 HIS HA H 1 4.476 0.015 A 110 HIS HBy H 1 2.600 0.01 A 110 HIS HBx H 1 2.481 0.002 A 110 HIS HD2 H 1 6.574 0.009 A 110 HIS HE1 H 1 7.913 . A 110 HIS C C 13 175.597 . A 110 HIS CA C 13 55.290 0.016 A 110 HIS CB C 13 28.463 0.032 A 110 HIS CD2 C 13 131.677 0.047 A 110 HIS N N 15 117.512 0.029 A 111 THR H H 1 7.528 0.012 A 111 THR HA H 1 4.135 0.015 A 111 THR HB H 1 4.176 0.014 A 111 THR HG2% H 1 0.991 0.014 A 111 THR C C 13 174.740 . A 111 THR CA C 13 62.068 0.059 A 111 THR CB C 13 69.863 0.068 A 111 THR CG2 C 13 21.179 0.058 A 111 THR N N 15 109.948 0.055 A 112 GLY H H 1 7.878 0.009 A 112 GLY HAy H 1 3.751 0.011 A 112 GLY HAx H 1 3.548 0.014 A 112 GLY CA C 13 46.168 0.065 A 112 GLY N N 15 117.415 0.04 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 LEU HDy% A 23 LEU HA 1.0 1.8 6.0 2 2 A 8 TYR H A 8 TYR HDy 1.0 1.8 6.0 3 2 A 8 TYR HDx A 8 TYR H 1.0 1.8 6.0 4 3 A 13 PHE HDx A 18 SER HB2 1.0 1.8 6.0 5 3 A 13 PHE HDy A 18 SER HB2 1.0 1.8 6.0 6 3 A 18 SER HB3 A 13 PHE HDy 1.0 1.8 6.0 7 3 A 18 SER HB3 A 13 PHE HDx 1.0 1.8 6.0 8 4 A 23 LEU HBx A 19 LYS HG2 1.0 1.8 4.9 9 4 A 19 LYS HG3 A 23 LEU HBx 1.0 1.8 4.9 10 5 A 24 GLU H A 22 HIS HA 1.0 1.8 6.0 11 6 A 22 HIS H A 22 HIS HBx 1.0 1.8 3.4 12 7 A 13 PHE HDy A 19 LYS HBx 1.0 1.8 5.2 13 7 A 13 PHE HDx A 19 LYS HBx 1.0 1.8 5.2 14 8 A 26 HIS H A 26 HIS HBy 1.0 1.8 4.8 15 9 A 19 LYS HBx A 19 LYS H 1.0 1.8 4.2 16 10 A 20 MET H A 17 THR HA 1.0 1.8 4.0 17 11 A 13 PHE H A 19 LYS HBy 1.0 1.8 5.0 18 12 A 21 ARG HD3 A 21 ARG HG2 1.0 1.8 4.1 19 12 A 21 ARG HD2 A 21 ARG HG2 1.0 1.8 4.1 20 12 A 21 ARG HG3 A 21 ARG HD2 1.0 1.8 4.1 21 12 A 21 ARG HG3 A 21 ARG HD3 1.0 1.8 4.1 22 13 A 8 TYR H A 8 TYR HBy 1.0 1.8 6.0 23 14 A 17 THR HA A 21 ARG H 1.0 1.8 4.8 24 15 A 4 TYR H A 3 PRO HDy 1.0 1.8 4.8 25 16 A 8 TYR HDy A 8 TYR HBx 1.0 1.8 6.0 26 16 A 8 TYR HDx A 8 TYR HBx 1.0 1.8 6.0 27 17 A 24 GLU HGx A 24 GLU HB2 1.0 1.8 4.4 28 17 A 24 GLU HGx A 24 GLU HB3 1.0 1.8 4.4 29 18 A 12 SER H A 12 SER HB2 1.0 1.8 4.0 30 18 A 12 SER H A 12 SER HB3 1.0 1.8 4.0 31 19 A 8 TYR H A 8 TYR HBx 1.0 1.8 6.0 32 20 A 23 LEU HBx A 23 LEU H 1.0 1.8 4.0 33 21 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 5.6 34 22 A 6 CYS HBy A 11 ARG H 1.0 1.8 6.0 35 23 A 17 THR H A 17 THR HB 1.0 1.8 4.0 36 24 A 20 MET H A 21 ARG H 1.0 1.8 4.2 37 25 A 26 HIS HE1 A 9 CYS HBy 1.0 1.8 4.9 38 26 A 19 LYS HBx A 19 LYS HA 1.0 1.8 6.0 39 27 A 23 LEU H A 20 MET HA 1.0 1.8 6.0 40 28 A 8 TYR HDy A 8 TYR HA 1.0 1.8 6.0 41 28 A 8 TYR HDx A 8 TYR HA 1.0 1.8 6.0 42 29 A 24 GLU H A 23 LEU HBy 1.0 1.8 6.0 43 30 A 13 PHE HDy A 19 LYS HG2 1.0 1.8 5.3 44 30 A 13 PHE HDy A 19 LYS HG3 1.0 1.8 5.3 45 30 A 13 PHE HDx A 19 LYS HG2 1.0 1.8 5.3 46 30 A 13 PHE HDx A 19 LYS HG3 1.0 1.8 5.3 47 31 A 4 TYR H A 3 PRO HG2 1.0 1.8 4.7 48 31 A 4 TYR H A 3 PRO HG3 1.0 1.8 4.7 49 32 A 18 SER HA A 21 ARG HB2 1.0 1.8 4.8 50 32 A 18 SER HA A 21 ARG HB3 1.0 1.8 4.8 51 33 A 16 PRO HDy A 4 TYR HDy 1.0 1.8 6.0 52 33 A 4 TYR HDx A 16 PRO HDy 1.0 1.8 6.0 53 34 A 13 PHE HDy A 13 PHE HZ 1.0 1.8 6.0 54 34 A 13 PHE HDx A 13 PHE HZ 1.0 1.8 6.0 55 35 A 11 ARG HDx A 11 ARG HGy 1.0 1.8 4.9 56 36 A 3 PRO HBy A 3 PRO HBx 1.0 1.8 4.2 57 37 A 19 LYS HBy A 19 LYS HA 1.0 1.8 6.0 58 38 A 23 LEU HDy% A 26 HIS H 1.0 1.8 6.0 59 39 A 12 SER H A 12 SER HA 1.0 1.8 4.6 60 40 A 23 LEU HDx% A 23 LEU HBy 1.0 1.8 5.4 61 41 A 22 HIS HBx A 22 HIS HBy 1.0 1.8 5.0 62 42 A 23 LEU HDy% A 8 TYR HEy 1.0 1.8 6.0 63 42 A 23 LEU HDy% A 8 TYR HEx 1.0 1.8 6.0 64 43 A 6 CYS HBx A 9 CYS H 1.0 1.8 6.0 65 44 A 9 CYS HBy A 10 GLY H 1.0 1.8 4.6 66 45 A 19 LYS H A 17 THR HA 1.0 1.8 4.7 67 46 A 8 TYR HDy A 26 HIS HD2 1.0 1.8 5.4 68 46 A 8 TYR HDx A 26 HIS HD2 1.0 1.8 5.4 69 47 A 6 CYS HBy A 6 CYS HBx 1.0 1.8 5.2 70 48 A 22 HIS H A 21 ARG H 1.0 1.8 4.2 71 49 A 22 HIS HA A 22 HIS HBy 1.0 1.8 6.0 72 50 A 20 MET H A 16 PRO HA 1.0 1.8 4.7 73 51 A 8 TYR H A 7 ASP HBy 1.0 1.8 6.0 74 52 A 8 TYR HDy A 8 TYR HBy 1.0 1.8 5.9 75 52 A 8 TYR HDx A 8 TYR HBy 1.0 1.8 5.9 76 53 A 13 PHE H A 12 SER HA 1.0 1.8 3.7 77 54 A 13 PHE HDy A 13 PHE H 1.0 1.8 5.0 78 54 A 13 PHE HDx A 13 PHE H 1.0 1.8 5.0 79 55 A 11 ARG HDx A 11 ARG HDy 1.0 1.8 3.8 80 56 A 11 ARG H A 9 CYS HBx 1.0 1.8 4.6 81 57 A 10 GLY H A 9 CYS HA 1.0 1.8 5.0 82 58 A 22 HIS HBy A 22 HIS HD2 1.0 1.8 5.9 83 59 A 8 TYR HBy A 9 CYS H 1.0 1.8 4.6 84 60 A 9 CYS H A 9 CYS HA 1.0 1.8 4.0 85 61 A 12 SER H A 11 ARG HBy 1.0 1.8 5.0 86 62 A 4 TYR HDy A 15 ASP H 1.0 1.8 5.3 87 62 A 4 TYR HDx A 15 ASP H 1.0 1.8 5.3 88 63 A 8 TYR HBy A 8 TYR HEy 1.0 1.8 6.0 89 63 A 8 TYR HBy A 8 TYR HEx 1.0 1.8 6.0 90 64 A 13 PHE HDy A 11 ARG HBy 1.0 1.8 6.0 91 64 A 13 PHE HDx A 11 ARG HBy 1.0 1.8 6.0 92 65 A 22 HIS H A 21 ARG HB2 1.0 1.8 5.0 93 65 A 22 HIS H A 21 ARG HB3 1.0 1.8 5.0 94 66 A 24 GLU H A 21 ARG HA 1.0 1.8 4.4 95 67 A 17 THR HB A 17 THR HG2% 1.0 1.8 5.5 96 68 A 20 MET H A 16 PRO HA 1.0 1.8 6.0 97 69 A 24 GLU HB2 A 24 GLU HA 1.0 1.8 5.5 98 69 A 24 GLU HB3 A 24 GLU HA 1.0 1.8 5.5 99 70 A 23 LEU HA A 24 GLU H 1.0 1.8 5.0 100 71 A 13 PHE H A 13 PHE HBx 1.0 1.8 6.0 101 72 A 19 LYS HG3 A 4 TYR HDy 1.0 1.8 6.0 102 72 A 19 LYS HG2 A 4 TYR HDx 1.0 1.8 6.0 103 72 A 19 LYS HG3 A 4 TYR HDx 1.0 1.8 6.0 104 72 A 19 LYS HG2 A 4 TYR HDy 1.0 1.8 6.0 105 73 A 19 LYS HG2 A 13 PHE HZ 1.0 1.8 6.0 106 73 A 19 LYS HG3 A 13 PHE HZ 1.0 1.8 6.0 107 74 A 5 GLN HA A 5 GLN HB2 1.0 1.8 6.0 108 74 A 5 GLN HA A 5 GLN HB3 1.0 1.8 6.0 109 75 A 8 TYR HDy A 26 HIS HD2 1.0 1.8 6.0 110 75 A 8 TYR HDx A 26 HIS HD2 1.0 1.8 6.0 111 76 A 23 LEU H A 22 HIS HD2 1.0 1.8 6.0 112 77 A 26 HIS H A 23 LEU HBy 1.0 1.8 6.0 113 78 A 11 ARG H A 11 ARG HBy 1.0 1.8 5.0 114 79 A 19 LYS H A 20 MET H 1.0 1.8 4.4 115 80 A 23 LEU H A 19 LYS HA 1.0 1.8 6.0 116 81 A 20 MET H A 20 MET HBx 1.0 1.8 6.0 117 82 A 24 GLU HGx A 24 GLU HA 1.0 1.8 6.0 118 83 A 8 TYR HBy A 8 TYR HBx 1.0 1.8 5.8 119 84 A 19 LYS H A 18 SER HA 1.0 1.8 6.0 120 85 A 26 HIS H A 26 HIS HD2 1.0 1.8 5.9 121 86 A 13 PHE HBx A 13 PHE HBy 1.0 1.8 5.3 122 87 A 24 GLU HGx A 24 GLU HGy 1.0 1.8 4.7 123 88 A 9 CYS H A 9 CYS HA 1.0 1.8 5.6 124 89 A 13 PHE HZ A 11 ARG HBy 1.0 1.8 4.7 125 90 A 13 PHE HZ A 22 HIS HBy 1.0 1.8 4.8 126 91 A 6 CYS HBy A 6 CYS H 1.0 1.8 6.0 127 92 A 17 THR HA A 21 ARG H 1.0 1.8 6.0 128 93 A 22 HIS H A 22 HIS HBx 1.0 1.8 5.3 129 94 A 13 PHE H A 4 TYR HBx 1.0 1.8 4.8 130 95 A 17 THR HB A 17 THR HG2% 1.0 1.8 5.2 131 96 A 12 SER H A 11 ARG HA 1.0 1.8 3.4 132 97 A 23 LEU HBx A 20 MET HA 1.0 1.8 6.0 133 98 A 19 LYS HBy A 15 ASP H 1.0 1.8 4.3 134 99 A 8 TYR H A 9 CYS H 1.0 1.8 4.0 135 100 A 19 LYS H A 15 ASP H 1.0 1.8 4.7 136 101 A 17 THR H A 16 PRO HB2 1.0 1.8 4.4 137 101 A 17 THR H A 16 PRO HB3 1.0 1.8 4.4 138 102 A 22 HIS H A 19 LYS HA 1.0 1.8 3.7 139 103 A 4 TYR H A 4 TYR HBy 1.0 1.8 4.4 140 104 A 20 MET HBx A 20 MET HG2 1.0 1.8 4.2 141 104 A 20 MET HBx A 20 MET HG3 1.0 1.8 4.2 142 105 A 13 PHE H A 13 PHE HBy 1.0 1.8 6.0 143 106 A 23 LEU HA A 23 LEU H 1.0 1.8 4.8 144 107 A 11 ARG HGy A 11 ARG HBy 1.0 1.8 4.6 145 108 A 9 CYS HBy A 9 CYS HA 1.0 1.8 5.4 146 109 A 5 GLN HA A 6 CYS H 1.0 1.8 3.8 147 110 A 12 SER H A 11 ARG HDy 1.0 1.8 5.5 148 111 A 22 HIS HBx A 22 HIS HBy 1.0 1.8 5.0 149 112 A 6 CYS HBx A 22 HIS HD2 1.0 1.8 5.8 150 113 A 21 ARG H A 20 MET HBx 1.0 1.8 5.0 151 114 A 17 THR HA A 18 SER H 1.0 1.8 3.7 152 115 A 9 CYS HBy A 9 CYS H 1.0 1.8 4.1 153 116 A 4 TYR H A 4 TYR HBx 1.0 1.8 4.2 154 117 A 8 TYR H A 9 CYS H 1.0 1.8 4.0 155 118 A 11 ARG HBy A 11 ARG HBx 1.0 1.8 4.0 156 119 A 8 TYR H A 8 TYR HBx 1.0 1.8 4.3 157 120 A 21 ARG HG2 A 21 ARG H 1.0 1.8 5.6 158 120 A 21 ARG HG3 A 21 ARG H 1.0 1.8 5.6 159 121 A 22 HIS H A 19 LYS HA 1.0 1.8 6.0 160 122 A 11 ARG H A 11 ARG HA 1.0 1.8 4.2 161 123 A 13 PHE HDy A 19 LYS HA 1.0 1.8 5.0 162 123 A 13 PHE HDx A 19 LYS HA 1.0 1.8 5.0 163 124 A 23 LEU HBx A 23 LEU HBy 1.0 1.8 4.9 164 125 A 9 CYS HBx A 6 CYS H 1.0 1.8 4.8 165 126 A 19 LYS HG2 A 13 PHE HBx 1.0 1.8 5.5 166 126 A 19 LYS HG3 A 13 PHE HBx 1.0 1.8 5.5 167 127 A 24 GLU H A 23 LEU HBy 1.0 1.8 4.8 168 128 A 8 TYR HDx A 8 TYR HEy 1.0 1.8 3.4 169 128 A 8 TYR HDy A 8 TYR HEy 1.0 1.8 3.4 170 128 A 8 TYR HDy A 8 TYR HEx 1.0 1.8 3.4 171 128 A 8 TYR HDx A 8 TYR HEx 1.0 1.8 3.4 172 129 A 13 PHE HDy A 15 ASP H 1.0 1.8 5.9 173 129 A 13 PHE HDx A 15 ASP H 1.0 1.8 5.9 174 130 A 8 TYR H A 6 CYS HBy 1.0 1.8 5.0 175 131 A 3 PRO HG2 A 3 PRO HBy 1.0 1.8 4.3 176 131 A 3 PRO HG3 A 3 PRO HBy 1.0 1.8 4.3 177 132 A 6 CYS HBx A 9 CYS H 1.0 1.8 4.2 178 133 A 16 PRO HDy A 16 PRO HB2 1.0 1.8 6.0 179 133 A 16 PRO HDy A 16 PRO HB3 1.0 1.8 6.0 180 134 A 13 PHE HDy A 13 PHE HBy 1.0 1.8 5.6 181 134 A 13 PHE HDx A 13 PHE HBy 1.0 1.8 5.6 182 135 A 23 LEU HDy% A 8 TYR HDy 1.0 1.8 6.0 183 135 A 23 LEU HDy% A 8 TYR HDx 1.0 1.8 6.0 184 136 A 11 ARG HA A 11 ARG HBx 1.0 1.8 5.2 185 137 A 4 TYR H A 4 TYR HDy 1.0 1.8 5.3 186 137 A 4 TYR H A 4 TYR HDx 1.0 1.8 5.3 187 138 A 17 THR HA A 17 THR H 1.0 1.8 3.5 188 139 A 23 LEU HDx% A 8 TYR HEy 1.0 1.8 6.0 189 139 A 23 LEU HDx% A 8 TYR HEx 1.0 1.8 6.0 190 140 A 8 TYR H A 9 CYS HBy 1.0 1.8 5.0 191 141 A 21 ARG H A 20 MET HBx 1.0 1.8 6.0 192 142 A 22 HIS HA A 22 HIS H 1.0 1.8 4.0 193 143 A 20 MET H A 20 MET HBy 1.0 1.8 6.0 194 144 A 23 LEU HDy% A 23 LEU HDx% 1.0 1.8 5.3 195 145 A 20 MET HA A 20 MET HG2 1.0 1.8 5.6 196 145 A 20 MET HA A 20 MET HG3 1.0 1.8 5.6 197 146 A 15 ASP H A 4 TYR HBx 1.0 1.8 4.8 198 147 A 11 ARG HDx A 11 ARG HDy 1.0 1.8 4.1 199 148 A 9 CYS H A 10 GLY H 1.0 1.8 3.4 200 149 A 4 TYR HBx A 4 TYR HBy 1.0 1.8 4.8 201 150 A 23 LEU HDy% A 8 TYR HDy 1.0 1.8 6.0 202 150 A 23 LEU HDy% A 8 TYR HDx 1.0 1.8 6.0 203 151 A 8 TYR H A 7 ASP H 1.0 1.8 5.3 204 152 A 11 ARG HDx A 11 ARG HGx 1.0 1.8 5.3 205 152 A 11 ARG HDx A 11 ARG HGy 1.0 1.8 5.3 206 153 A 17 THR HB A 18 SER H 1.0 1.8 5.8 207 154 A 7 ASP HBy A 7 ASP HA 1.0 1.8 5.2 208 155 A 22 HIS H A 23 LEU H 1.0 1.8 3.7 209 156 A 23 LEU HDy% A 23 LEU HBx 1.0 1.8 5.6 210 157 A 21 ARG H A 17 THR HG2% 1.0 1.8 6.0 211 158 A 17 THR HA A 17 THR HG2% 1.0 1.8 5.9 212 159 A 13 PHE H A 5 GLN HA 1.0 1.8 3.6 213 160 A 23 LEU HDy% A 26 HIS HD2 1.0 1.8 6.0 214 161 A 17 THR H A 15 ASP HBy 1.0 1.8 4.6 215 162 A 4 TYR H A 4 TYR HDy 1.0 1.8 5.4 216 162 A 4 TYR H A 4 TYR HDx 1.0 1.8 5.4 217 163 A 26 HIS HE1 A 13 PHE HZ 1.0 1.8 5.5 218 164 A 21 ARG H A 20 MET HBy 1.0 1.8 6.0 219 165 A 8 TYR HDy A 23 LEU HDx% 1.0 1.8 6.0 220 165 A 8 TYR HDx A 23 LEU HDx% 1.0 1.8 6.0 221 166 A 6 CYS HBx A 6 CYS H 1.0 1.8 6.0 222 167 A 8 TYR HBy A 8 TYR HBx 1.0 1.8 6.0 223 168 A 23 LEU HDx% A 23 LEU HBy 1.0 1.8 6.0 224 169 A 11 ARG H A 10 GLY H 1.0 1.8 3.8 225 170 A 23 LEU HDy% A 20 MET HE% 1.0 1.8 6.0 226 171 A 8 TYR HEy A 26 HIS HD2 1.0 1.8 5.3 227 171 A 8 TYR HEx A 26 HIS HD2 1.0 1.8 5.3 228 172 A 22 HIS H A 22 HIS HBy 1.0 1.8 3.4 229 173 A 18 SER H A 15 ASP HBx 1.0 1.8 5.3 230 174 A 7 ASP HBy A 7 ASP HBx 1.0 1.8 4.9 231 175 A 23 LEU HDy% A 9 CYS H 1.0 1.8 4.8 232 176 A 11 ARG H A 11 ARG HBy 1.0 1.8 3.8 233 177 A 21 ARG HB2 A 21 ARG HA 1.0 1.8 4.6 234 177 A 21 ARG HB3 A 21 ARG HA 1.0 1.8 4.6 235 178 A 9 CYS HBy A 10 GLY H 1.0 1.8 4.9 236 179 A 22 HIS HBx A 22 HIS HD2 1.0 1.8 5.2 237 180 A 22 HIS HA A 25 THR HG2% 1.0 1.8 6.0 238 181 A 19 LYS HG2 A 20 MET H 1.0 1.8 6.0 239 181 A 19 LYS HG3 A 20 MET H 1.0 1.8 6.0 240 182 A 7 ASP HA A 7 ASP HBx 1.0 1.8 5.0 241 183 A 9 CYS HBy A 6 CYS H 1.0 1.8 4.4 242 184 A 17 THR HA A 20 MET HG2 1.0 1.8 5.5 243 184 A 17 THR HA A 20 MET HG3 1.0 1.8 5.5 244 185 A 8 TYR H A 8 TYR HDy 1.0 1.8 5.2 245 185 A 8 TYR HDx A 8 TYR H 1.0 1.8 5.2 246 186 A 11 ARG HDy A 11 ARG HA 1.0 1.8 6.0 247 187 A 23 LEU HBx A 23 LEU HDx% 1.0 1.8 5.8 248 188 A 23 LEU H A 23 LEU HBy 1.0 1.8 6.0 249 189 A 18 SER HB2 A 15 ASP HBx 1.0 1.8 6.0 250 189 A 18 SER HB3 A 15 ASP HBx 1.0 1.8 6.0 251 190 A 17 THR H A 16 PRO HB2 1.0 1.8 6.0 252 190 A 17 THR H A 16 PRO HB3 1.0 1.8 6.0 253 191 A 9 CYS HBx A 9 CYS HA 1.0 1.8 5.4 254 192 A 3 PRO HBy A 3 PRO HDx 1.0 1.8 6.0 255 193 A 21 ARG HG2 A 21 ARG HA 1.0 1.8 4.4 256 193 A 21 ARG HG3 A 21 ARG HA 1.0 1.8 4.4 257 194 A 12 SER H A 11 ARG HBx 1.0 1.8 4.8 258 195 A 22 HIS HA A 22 HIS H 1.0 1.8 5.8 259 196 A 22 HIS H A 21 ARG HG2 1.0 1.8 6.0 260 196 A 22 HIS H A 21 ARG HG3 1.0 1.8 6.0 261 197 A 23 LEU HA A 25 THR H 1.0 1.8 5.6 262 198 A 17 THR HG2% A 18 SER H 1.0 1.8 6.0 263 199 A 13 PHE HDy A 19 LYS HA 1.0 1.8 6.0 264 199 A 13 PHE HDx A 19 LYS HA 1.0 1.8 6.0 265 200 A 3 PRO HBx A 3 PRO HA 1.0 1.8 6.0 266 201 A 20 MET H A 19 LYS HA 1.0 1.8 6.0 267 202 A 13 PHE HZ A 11 ARG HBx 1.0 1.8 4.8 268 203 A 13 PHE H A 4 TYR H 1.0 1.8 5.0 269 204 A 19 LYS HBy A 16 PRO HA 1.0 1.8 6.0 270 205 A 19 LYS HG2 A 19 LYS HE2 1.0 1.8 4.6 271 205 A 19 LYS HG2 A 19 LYS HE3 1.0 1.8 4.6 272 205 A 19 LYS HG3 A 19 LYS HE2 1.0 1.8 4.6 273 205 A 19 LYS HG3 A 19 LYS HE3 1.0 1.8 4.6 274 206 A 20 MET H A 20 MET HA 1.0 1.8 4.2 275 207 A 22 HIS H A 21 ARG HB2 1.0 1.8 3.5 276 207 A 22 HIS H A 21 ARG HB3 1.0 1.8 3.5 277 208 A 17 THR H A 18 SER H 1.0 1.8 4.2 278 209 A 21 ARG HG2 A 17 THR HG2% 1.0 1.8 6.0 279 209 A 21 ARG HG3 A 17 THR HG2% 1.0 1.8 6.0 280 210 A 20 MET H A 20 MET HBy 1.0 1.8 4.0 281 211 A 4 TYR H A 4 TYR HA 1.0 1.8 4.3 282 212 A 12 SER H A 11 ARG HDx 1.0 1.8 5.0 283 213 A 22 HIS HBx A 23 LEU H 1.0 1.8 6.0 284 214 A 15 ASP H A 14 SER HB2 1.0 1.8 6.0 285 214 A 15 ASP H A 14 SER HB3 1.0 1.8 6.0 286 215 A 18 SER H A 15 ASP HBy 1.0 1.8 5.2 287 216 A 22 HIS H A 20 MET HA 1.0 1.8 6.0 288 217 A 24 GLU H A 23 LEU H 1.0 1.8 4.8 289 218 A 21 ARG H A 21 ARG HB2 1.0 1.8 5.2 290 218 A 21 ARG H A 21 ARG HB3 1.0 1.8 5.2 291 219 A 18 SER HB2 A 18 SER HA 1.0 1.8 3.6 292 219 A 18 SER HB3 A 18 SER HA 1.0 1.8 3.6 293 220 A 10 GLY HAy A 10 GLY HAx 1.0 1.8 5.0 294 221 A 17 THR H A 16 PRO HDy 1.0 1.8 4.9 295 222 A 23 LEU H A 19 LYS HA 1.0 1.8 4.9 296 223 A 6 CYS HBx A 11 ARG HBx 1.0 1.8 6.0 297 224 A 6 CYS HBy A 22 HIS HD2 1.0 1.8 5.9 298 225 A 17 THR H A 17 THR HG2% 1.0 1.8 5.0 299 226 A 6 CYS HBx A 6 CYS H 1.0 1.8 4.4 300 227 A 11 ARG HDx A 11 ARG HBy 1.0 1.8 5.5 301 228 A 24 GLU H A 25 THR H 1.0 1.8 4.7 302 229 A 8 TYR HBy A 26 HIS HE1 1.0 1.8 6.0 303 230 A 17 THR HG2% A 20 MET HBx 1.0 1.8 6.0 304 231 A 15 ASP H A 15 ASP HBy 1.0 1.8 6.0 305 232 A 13 PHE H A 13 PHE HBy 1.0 1.8 4.9 306 233 A 23 LEU HBx A 23 LEU HDx% 1.0 1.8 6.0 307 234 A 4 TYR H A 3 PRO HBx 1.0 1.8 5.5 308 235 A 8 TYR HDy A 8 TYR HEx 1.0 1.8 4.1 309 235 A 8 TYR HDy A 8 TYR HEy 1.0 1.8 4.1 310 235 A 8 TYR HDx A 8 TYR HEy 1.0 1.8 4.1 311 235 A 8 TYR HDx A 8 TYR HEx 1.0 1.8 4.1 312 236 A 20 MET HBx A 20 MET HE% 1.0 1.8 6.0 313 237 A 20 MET H A 21 ARG H 1.0 1.8 4.3 314 238 A 3 PRO HBy A 3 PRO HA 1.0 1.8 5.4 315 239 A 9 CYS HBy A 6 CYS HBx 1.0 1.8 5.3 316 240 A 10 GLY HAy A 10 GLY HAx 1.0 1.8 4.9 317 241 A 4 TYR H A 4 TYR HEy 1.0 1.8 6.0 318 241 A 4 TYR H A 4 TYR HEx 1.0 1.8 6.0 319 242 A 11 ARG HGy A 11 ARG HA 1.0 1.8 4.2 320 243 A 19 LYS H A 19 LYS HA 1.0 1.8 6.0 321 244 A 21 ARG H A 19 LYS HA 1.0 1.8 5.2 322 245 A 25 THR H A 25 THR HA 1.0 1.8 4.6 323 246 A 20 MET H A 18 SER HA 1.0 1.8 6.0 324 247 A 13 PHE H A 13 PHE HBx 1.0 1.8 4.3 325 248 A 21 ARG H A 20 MET HG2 1.0 1.8 6.0 326 248 A 21 ARG H A 20 MET HG3 1.0 1.8 6.0 327 249 A 23 LEU HDy% A 23 LEU H 1.0 1.8 5.8 328 250 A 11 ARG HBy A 11 ARG HA 1.0 1.8 4.6 329 251 A 19 LYS H A 13 PHE HBx 1.0 1.8 4.4 330 252 A 24 GLU H A 24 GLU HGy 1.0 1.8 6.0 331 253 A 20 MET HBx A 20 MET HBy 1.0 1.8 3.2 332 254 A 11 ARG H A 9 CYS HBy 1.0 1.8 4.3 333 255 A 8 TYR HEy A 26 HIS HD2 1.0 1.8 6.0 334 255 A 8 TYR HEx A 26 HIS HD2 1.0 1.8 6.0 335 256 A 15 ASP H A 15 ASP HBx 1.0 1.8 6.0 336 257 A 19 LYS H A 17 THR H 1.0 1.8 4.4 337 258 A 18 SER HA A 18 SER H 1.0 1.8 6.0 338 259 A 24 GLU H A 24 GLU HGx 1.0 1.8 4.4 339 260 A 23 LEU H A 21 ARG HA 1.0 1.8 6.0 340 261 A 4 TYR H A 4 TYR HBx 1.0 1.8 5.9 341 262 A 23 LEU HA A 23 LEU HBx 1.0 1.8 6.0 342 263 A 18 SER HB2 A 18 SER H 1.0 1.8 3.7 343 263 A 18 SER HB3 A 18 SER H 1.0 1.8 3.7 344 264 A 9 CYS H A 9 CYS HBx 1.0 1.8 6.0 345 265 A 22 HIS H A 21 ARG HA 1.0 1.8 4.2 346 266 A 19 LYS HG2 A 19 LYS H 1.0 1.8 4.8 347 266 A 19 LYS HG3 A 19 LYS H 1.0 1.8 4.8 348 267 A 20 MET H A 19 LYS HA 1.0 1.8 4.7 349 268 A 19 LYS HBx A 13 PHE H 1.0 1.8 5.2 350 269 A 24 GLU H A 24 GLU HGy 1.0 1.8 4.4 351 270 A 19 LYS H A 19 LYS HBy 1.0 1.8 4.3 352 271 A 23 LEU H A 23 LEU HDx% 1.0 1.8 6.0 353 272 A 11 ARG H A 6 CYS HBx 1.0 1.8 4.6 354 273 A 22 HIS HBx A 23 LEU H 1.0 1.8 4.9 355 274 A 22 HIS HBx A 19 LYS HA 1.0 1.8 6.0 356 275 A 20 MET HBy A 20 MET HE% 1.0 1.8 6.0 357 276 A 8 TYR HDy A 8 TYR HBx 1.0 1.8 6.0 358 276 A 8 TYR HDx A 8 TYR HBx 1.0 1.8 6.0 359 277 A 8 TYR H A 7 ASP HBx 1.0 1.8 6.0 360 278 A 9 CYS HBx A 9 CYS HA 1.0 1.8 6.0 361 279 A 10 GLY H A 10 GLY HAx 1.0 1.8 4.0 362 280 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 6.0 363 281 A 5 GLN HA A 6 CYS H 1.0 1.8 6.0 364 282 A 23 LEU HBx A 23 LEU HBy 1.0 1.8 4.7 365 283 A 8 TYR H A 7 ASP HA 1.0 1.8 4.1 366 284 A 20 MET HA A 20 MET HG2 1.0 1.8 4.6 367 284 A 20 MET HA A 20 MET HG3 1.0 1.8 4.6 368 285 A 19 LYS H A 18 SER H 1.0 1.8 4.3 369 286 A 23 LEU HA A 22 HIS HD2 1.0 1.8 6.0 370 287 A 6 CYS H A 5 GLN H 1.0 1.8 5.4 371 288 A 4 TYR HDy A 16 PRO HA 1.0 1.8 6.0 372 288 A 4 TYR HDx A 16 PRO HA 1.0 1.8 6.0 373 289 A 19 LYS H A 16 PRO HA 1.0 1.8 5.0 374 290 A 17 THR HA A 17 THR H 1.0 1.8 6.0 375 291 A 20 MET HBx A 20 MET HG2 1.0 1.8 4.7 376 291 A 20 MET HBx A 20 MET HG3 1.0 1.8 4.7 377 292 A 11 ARG HDy A 11 ARG HBy 1.0 1.8 5.9 378 293 A 11 ARG HA A 11 ARG HGx 1.0 1.8 4.1 379 294 A 23 LEU HA A 23 LEU HBy 1.0 1.8 4.0 380 295 A 24 GLU H A 24 GLU HB2 1.0 1.8 5.6 381 295 A 24 GLU H A 24 GLU HB3 1.0 1.8 5.6 382 296 A 6 CYS HBy A 7 ASP H 1.0 1.8 6.0 383 297 A 17 THR H A 20 MET HBy 1.0 1.8 4.7 384 298 A 21 ARG HD2 A 21 ARG HB2 1.0 1.8 4.3 385 298 A 21 ARG HD3 A 21 ARG HB2 1.0 1.8 4.3 386 298 A 21 ARG HD2 A 21 ARG HB3 1.0 1.8 4.3 387 298 A 21 ARG HD3 A 21 ARG HB3 1.0 1.8 4.3 388 299 A 24 GLU H A 24 GLU HA 1.0 1.8 5.9 389 300 A 25 THR HG2% A 25 THR H 1.0 1.8 4.9 390 301 A 23 LEU HDx% A 20 MET HA 1.0 1.8 5.6 391 302 A 6 CYS HBx A 9 CYS HBx 1.0 1.8 5.0 392 303 A 23 LEU HDy% A 23 LEU HA 1.0 1.8 6.0 393 304 A 24 GLU HGx A 24 GLU HA 1.0 1.8 5.5 394 305 A 11 ARG HDy A 11 ARG HBx 1.0 1.8 5.6 395 306 A 11 ARG HDy A 11 ARG HGx 1.0 1.8 4.9 396 306 A 11 ARG HGy A 11 ARG HDy 1.0 1.8 4.9 397 307 A 11 ARG HDx A 11 ARG HA 1.0 1.8 6.0 398 308 A 13 PHE HDy A 6 CYS HBx 1.0 1.8 5.4 399 308 A 13 PHE HDx A 6 CYS HBx 1.0 1.8 5.4 400 309 A 19 LYS HG2 A 19 LYS HA 1.0 1.8 5.6 401 309 A 19 LYS HG3 A 19 LYS HA 1.0 1.8 5.6 402 310 A 13 PHE HDy A 11 ARG HBx 1.0 1.8 6.0 403 310 A 13 PHE HDx A 11 ARG HBx 1.0 1.8 6.0 404 311 A 11 ARG HBy A 11 ARG HGx 1.0 1.8 4.8 405 312 A 11 ARG HBy A 11 ARG HA 1.0 1.8 5.3 406 313 A 19 LYS H A 18 SER H 1.0 1.8 4.8 407 314 A 7 ASP HBy A 7 ASP HA 1.0 1.8 6.0 408 315 A 24 GLU HA A 25 THR H 1.0 1.8 4.3 409 316 A 15 ASP H A 13 PHE HA 1.0 1.8 3.4 410 317 A 19 LYS H A 20 MET H 1.0 1.8 4.0 411 318 A 3 PRO HBy A 3 PRO HBx 1.0 1.8 4.4 412 319 A 11 ARG H A 11 ARG HBx 1.0 1.8 4.9 413 320 A 6 CYS H A 6 CYS HA 1.0 1.8 4.9 414 321 A 12 SER H A 11 ARG HDx 1.0 1.8 5.2 415 322 A 11 ARG HA A 11 ARG HBx 1.0 1.8 4.2 416 323 A 19 LYS H A 16 PRO HA 1.0 1.8 6.0 417 324 A 18 SER HA A 21 ARG HB2 1.0 1.8 4.4 418 324 A 18 SER HA A 21 ARG HB3 1.0 1.8 4.4 419 325 A 24 GLU H A 23 LEU HDx% 1.0 1.8 6.0 420 326 A 21 ARG H A 20 MET HG2 1.0 1.8 4.1 421 326 A 21 ARG H A 20 MET HG3 1.0 1.8 4.1 422 327 A 22 HIS H A 22 HIS HBy 1.0 1.8 5.0 423 328 A 19 LYS H A 19 LYS HA 1.0 1.8 4.4 424 329 A 4 TYR HDy A 16 PRO HB3 1.0 1.8 5.8 425 329 A 4 TYR HDy A 16 PRO HB2 1.0 1.8 5.8 426 329 A 4 TYR HDx A 16 PRO HB2 1.0 1.8 5.8 427 329 A 4 TYR HDx A 16 PRO HB3 1.0 1.8 5.8 428 330 A 19 LYS HBx A 20 MET H 1.0 1.8 3.5 429 331 A 12 SER H A 11 ARG HGx 1.0 1.8 4.8 430 332 A 17 THR H A 16 PRO HA 1.0 1.8 3.8 431 333 A 21 ARG H A 20 MET HBy 1.0 1.8 4.9 432 334 A 17 THR HA A 20 MET HBy 1.0 1.8 6.0 433 334 A 17 THR HA A 20 MET HBx 1.0 1.8 6.0 434 335 A 22 HIS H A 18 SER HA 1.0 1.8 4.2 435 336 A 17 THR H A 18 SER H 1.0 1.8 4.3 436 337 A 16 PRO HA A 18 SER H 1.0 1.8 5.3 437 338 A 24 GLU HA A 25 THR H 1.0 1.8 6.0 438 339 A 21 ARG H A 19 LYS HA 1.0 1.8 6.0 439 340 A 13 PHE HZ A 11 ARG HGx 1.0 1.8 6.0 440 341 A 17 THR H A 16 PRO HA 1.0 1.8 6.0 441 342 A 16 PRO HB2 A 16 PRO HDx 1.0 1.8 5.9 442 342 A 16 PRO HB3 A 16 PRO HDx 1.0 1.8 5.9 443 343 A 23 LEU HDy% A 23 LEU HBy 1.0 1.8 5.6 444 344 A 13 PHE HDy A 13 PHE HBy 1.0 1.8 6.0 445 344 A 13 PHE HDx A 13 PHE HBy 1.0 1.8 6.0 446 345 A 6 CYS HBy A 11 ARG HBx 1.0 1.8 6.0 447 346 A 24 GLU H A 24 GLU HB2 1.0 1.8 3.8 448 346 A 24 GLU H A 24 GLU HB3 1.0 1.8 3.8 449 347 A 16 PRO HA A 4 TYR HBy 1.0 1.8 6.0 450 348 A 4 TYR HDy A 4 TYR HA 1.0 1.8 6.0 451 348 A 4 TYR HDx A 4 TYR HA 1.0 1.8 6.0 452 349 A 11 ARG HDy A 11 ARG HBy 1.0 1.8 4.4 453 350 A 23 LEU HBx A 26 HIS HD2 1.0 1.8 6.0 454 351 A 21 ARG H A 20 MET HA 1.0 1.8 5.3 455 352 A 15 ASP H A 15 ASP HA 1.0 1.8 5.2 456 353 A 3 PRO HDy A 3 PRO HBy 1.0 1.8 6.0 457 354 A 21 ARG HB2 A 20 MET HBy 1.0 1.8 6.0 458 354 A 21 ARG HB3 A 20 MET HBy 1.0 1.8 6.0 459 355 A 12 SER H A 12 SER HB2 1.0 1.8 5.5 460 355 A 12 SER H A 12 SER HB3 1.0 1.8 5.5 461 356 A 6 CYS HBy A 9 CYS HBy 1.0 1.8 5.5 462 357 A 24 GLU HGx A 24 GLU HB2 1.0 1.8 3.5 463 357 A 24 GLU HGx A 24 GLU HB3 1.0 1.8 3.5 464 358 A 17 THR H A 17 THR HB 1.0 1.8 5.8 465 359 A 17 THR HA A 20 MET HBx 1.0 1.8 6.0 466 360 A 5 GLN HA A 5 GLN H 1.0 1.8 5.3 467 361 A 24 GLU H A 23 LEU H 1.0 1.8 4.9 468 362 A 22 HIS HA A 22 HIS HBy 1.0 1.8 5.0 469 363 A 24 GLU HA A 24 GLU HGy 1.0 1.8 6.0 470 364 A 26 HIS HE1 A 26 HIS HD2 1.0 1.8 6.0 471 365 A 26 HIS H A 25 THR H 1.0 1.8 4.3 472 366 A 11 ARG HDy A 11 ARG HGx 1.0 1.8 4.3 473 367 A 13 PHE HDy A 19 LYS HG2 1.0 1.8 6.0 474 367 A 13 PHE HDx A 19 LYS HG2 1.0 1.8 6.0 475 367 A 13 PHE HDy A 19 LYS HG3 1.0 1.8 6.0 476 367 A 13 PHE HDx A 19 LYS HG3 1.0 1.8 6.0 477 368 A 19 LYS HA A 13 PHE HZ 1.0 1.8 5.3 478 369 A 24 GLU H A 24 GLU HGx 1.0 1.8 6.0 479 370 A 17 THR HA A 20 MET HG2 1.0 1.8 6.0 480 370 A 17 THR HA A 20 MET HG3 1.0 1.8 6.0 481 371 A 23 LEU HA A 23 LEU HBx 1.0 1.8 4.4 482 372 A 16 PRO HDy A 16 PRO HDx 1.0 1.8 4.6 483 373 A 15 ASP H A 14 SER HB2 1.0 1.8 4.4 484 373 A 15 ASP H A 14 SER HB3 1.0 1.8 4.4 485 374 A 13 PHE H A 12 SER HA 1.0 1.8 6.0 486 375 A 4 TYR HBx A 4 TYR HBy 1.0 1.8 4.6 487 376 A 23 LEU HDy% A 23 LEU H 1.0 1.8 6.0 488 377 A 11 ARG HBx A 11 ARG HGx 1.0 1.8 4.7 489 378 A 11 ARG H A 11 ARG HBx 1.0 1.8 3.8 490 379 A 17 THR HG2% A 20 MET HG2 1.0 1.8 6.0 491 379 A 17 THR HG2% A 20 MET HG3 1.0 1.8 6.0 492 380 A 22 HIS HA A 25 THR H 1.0 1.8 6.0 493 381 A 8 TYR H A 8 TYR HBy 1.0 1.8 4.3 494 382 A 10 GLY H A 10 GLY HAy 1.0 1.8 4.0 495 383 A 25 THR H A 25 THR HB 1.0 1.8 4.6 496 384 A 8 TYR HBx A 9 CYS H 1.0 1.8 6.0 497 385 A 21 ARG H A 21 ARG HA 1.0 1.8 3.8 498 386 A 17 THR HA A 18 SER H 1.0 1.8 6.0 499 387 A 20 MET HG2 A 20 MET HBy 1.0 1.8 4.6 500 387 A 20 MET HG3 A 20 MET HBy 1.0 1.8 4.6 501 388 A 10 GLY H A 9 CYS HA 1.0 1.8 5.5 502 389 A 23 LEU HA A 25 THR H 1.0 1.8 5.5 503 390 A 9 CYS H A 10 GLY H 1.0 1.8 4.1 504 391 A 23 LEU HDy% A 22 HIS HD2 1.0 1.8 6.0 505 392 A 11 ARG H A 10 GLY HAy 1.0 1.8 4.7 506 393 A 19 LYS HG2 A 19 LYS HBy 1.0 1.8 3.8 507 393 A 19 LYS HG3 A 19 LYS HBy 1.0 1.8 3.8 508 394 A 11 ARG HDx A 11 ARG HBy 1.0 1.8 4.3 509 395 A 5 GLN H A 5 GLN HG2 1.0 1.8 6.0 510 395 A 5 GLN H A 5 GLN HG3 1.0 1.8 6.0 511 396 A 11 ARG HBy A 11 ARG HGx 1.0 1.8 4.1 512 396 A 11 ARG HGy A 11 ARG HBy 1.0 1.8 4.1 513 397 A 26 HIS HE1 A 8 TYR HEy 1.0 1.8 6.0 514 397 A 26 HIS HE1 A 8 TYR HEx 1.0 1.8 6.0 515 398 A 24 GLU HB2 A 24 GLU HA 1.0 1.8 4.9 516 398 A 24 GLU HB3 A 24 GLU HA 1.0 1.8 4.9 517 399 A 20 MET HA A 20 MET HBy 1.0 1.8 6.0 518 400 A 26 HIS HD2 A 26 HIS HBx 1.0 1.8 6.0 519 401 A 24 GLU H A 20 MET HA 1.0 1.8 6.0 520 402 A 24 GLU HB2 A 24 GLU HGy 1.0 1.8 5.0 521 402 A 24 GLU HB3 A 24 GLU HGy 1.0 1.8 5.0 522 403 A 7 ASP HBy A 7 ASP HBx 1.0 1.8 5.2 523 404 A 12 SER H A 11 ARG HBx 1.0 1.8 4.1 524 405 A 20 MET HA A 20 MET HBx 1.0 1.8 6.0 525 406 A 20 MET HBx A 20 MET HBy 1.0 1.8 3.4 526 407 A 21 ARG HG2 A 21 ARG HB3 1.0 1.8 3.2 527 407 A 21 ARG HG2 A 21 ARG HB2 1.0 1.8 3.2 528 407 A 21 ARG HG3 A 21 ARG HB2 1.0 1.8 3.2 529 407 A 21 ARG HG3 A 21 ARG HB3 1.0 1.8 3.2 530 408 A 13 PHE H A 12 SER H 1.0 1.8 5.4 531 409 A 8 TYR HBx A 26 HIS HE1 1.0 1.8 6.0 532 410 A 4 TYR HDy A 4 TYR HBx 1.0 1.8 4.7 533 410 A 4 TYR HDx A 4 TYR HBx 1.0 1.8 4.7 534 411 A 4 TYR H A 3 PRO HBy 1.0 1.8 4.6 535 412 A 4 TYR H A 3 PRO HBx 1.0 1.8 4.6 536 413 A 7 ASP H A 7 ASP HA 1.0 1.8 6.0 537 414 A 21 ARG H A 21 ARG HA 1.0 1.8 5.2 538 415 A 13 PHE HDy A 13 PHE H 1.0 1.8 5.8 539 415 A 13 PHE HDx A 13 PHE H 1.0 1.8 5.8 540 416 A 6 CYS HBx A 22 HIS HD2 1.0 1.8 5.3 541 417 A 9 CYS HBy A 9 CYS H 1.0 1.8 6.0 542 418 A 6 CYS HBy A 22 HIS HD2 1.0 1.8 6.0 543 419 A 20 MET H A 20 MET HG2 1.0 1.8 5.4 544 419 A 20 MET H A 20 MET HG3 1.0 1.8 5.4 545 420 A 19 LYS HG2 A 19 LYS H 1.0 1.8 6.0 546 420 A 19 LYS HG3 A 19 LYS H 1.0 1.8 6.0 547 421 A 16 PRO HDy A 16 PRO HDx 1.0 1.8 5.0 548 422 A 13 PHE HDy A 4 TYR HBx 1.0 1.8 5.5 549 422 A 4 TYR HDx A 4 TYR HBx 1.0 1.8 5.5 550 423 A 24 GLU HB2 A 25 THR H 1.0 1.8 4.9 551 423 A 24 GLU HB3 A 25 THR H 1.0 1.8 4.9 552 424 A 23 LEU HA A 26 HIS HD2 1.0 1.8 4.9 553 425 A 26 HIS HE1 A 26 HIS HD2 1.0 1.8 6.0 554 426 A 16 PRO HA A 4 TYR HBx 1.0 1.8 6.0 555 427 A 26 HIS H A 25 THR H 1.0 1.8 4.8 556 428 A 7 ASP HA A 7 ASP HBx 1.0 1.8 6.0 557 429 A 23 LEU HA A 23 LEU H 1.0 1.8 5.9 558 430 A 22 HIS HA A 23 LEU H 1.0 1.8 5.3 559 431 A 8 TYR HDy A 8 TYR HA 1.0 1.8 6.0 560 431 A 8 TYR HDx A 8 TYR HA 1.0 1.8 6.0 561 432 A 11 ARG HDx A 11 ARG HBx 1.0 1.8 4.3 562 433 A 15 ASP H A 15 ASP HBx 1.0 1.8 3.8 563 434 A 4 TYR HDy A 4 TYR HEx 1.0 1.8 3.8 564 434 A 4 TYR HDy A 4 TYR HEy 1.0 1.8 3.8 565 434 A 4 TYR HDx A 4 TYR HEy 1.0 1.8 3.8 566 434 A 4 TYR HDx A 4 TYR HEx 1.0 1.8 3.8 567 435 A 11 ARG HDy A 11 ARG HBx 1.0 1.8 4.7 568 436 A 5 GLN HA A 5 GLN HG2 1.0 1.8 6.0 569 436 A 5 GLN HA A 5 GLN HG3 1.0 1.8 6.0 570 437 A 6 CYS HBx A 6 CYS HA 1.0 1.8 6.0 571 438 A 19 LYS HBx A 15 ASP H 1.0 1.8 4.1 572 439 A 4 TYR HA A 5 GLN H 1.0 1.8 4.3 573 440 A 11 ARG HGy A 11 ARG HDy 1.0 1.8 4.3 574 441 A 19 LYS HG2 A 20 MET H 1.0 1.8 4.1 575 441 A 19 LYS HG3 A 20 MET H 1.0 1.8 4.1 576 442 A 18 SER HB2 A 18 SER H 1.0 1.8 6.0 577 442 A 18 SER HB3 A 18 SER H 1.0 1.8 6.0 578 443 A 9 CYS HBy A 9 CYS HBx 1.0 1.8 5.3 579 444 A 23 LEU HA A 24 GLU H 1.0 1.8 6.0 580 445 A 23 LEU H A 20 MET HA 1.0 1.8 5.6 581 446 A 9 CYS HBy A 9 CYS HA 1.0 1.8 4.4 582 447 A 24 GLU H A 20 MET HA 1.0 1.8 4.3 583 448 A 17 THR H A 17 THR HG2% 1.0 1.8 6.0 584 449 A 8 TYR HA A 9 CYS H 1.0 1.8 4.4 585 450 A 4 TYR H A 12 SER HB2 1.0 1.8 4.8 586 450 A 4 TYR H A 12 SER HB3 1.0 1.8 4.8 587 451 A 21 ARG HB2 A 21 ARG HA 1.0 1.8 4.1 588 451 A 21 ARG HB3 A 21 ARG HA 1.0 1.8 4.1 589 452 A 21 ARG HD2 A 21 ARG HA 1.0 1.8 5.5 590 452 A 21 ARG HD3 A 21 ARG HA 1.0 1.8 5.5 591 453 A 19 LYS HBy A 4 TYR HDy 1.0 1.8 5.4 592 453 A 19 LYS HBy A 4 TYR HDx 1.0 1.8 5.4 593 454 A 23 LEU HBx A 24 GLU H 1.0 1.8 6.0 594 455 A 23 LEU HA A 26 HIS H 1.0 1.8 6.0 595 456 A 16 PRO HA A 16 PRO HB2 1.0 1.8 5.3 596 456 A 16 PRO HA A 16 PRO HB3 1.0 1.8 5.3 597 457 A 4 TYR HDy A 4 TYR HBy 1.0 1.8 6.0 598 457 A 4 TYR HDx A 4 TYR HBy 1.0 1.8 6.0 599 458 A 11 ARG H A 6 CYS HBx 1.0 1.8 6.0 600 459 A 4 TYR H A 3 PRO HA 1.0 1.8 3.7 601 460 A 23 LEU HDy% A 20 MET HA 1.0 1.8 6.0 602 461 A 26 HIS H A 26 HIS HBx 1.0 1.8 5.2 603 462 A 10 GLY H A 9 CYS HBx 1.0 1.8 6.0 604 463 A 6 CYS HBy A 6 CYS HBx 1.0 1.8 5.3 605 464 A 6 CYS H A 5 GLN HG2 1.0 1.8 6.0 606 464 A 6 CYS H A 5 GLN HG3 1.0 1.8 6.0 607 465 A 8 TYR H A 23 LEU HDx% 1.0 1.8 6.0 608 466 A 18 SER HB2 A 18 SER HA 1.0 1.8 3.8 609 466 A 18 SER HB3 A 18 SER HA 1.0 1.8 3.8 610 467 A 24 GLU HA A 24 GLU HGy 1.0 1.8 6.0 611 468 A 15 ASP HBx A 16 PRO HDx 1.0 1.8 5.5 612 469 A 21 ARG HA A 25 THR H 1.0 1.8 6.0 613 470 A 3 PRO HG2 A 3 PRO HBx 1.0 1.8 4.7 614 470 A 3 PRO HG3 A 3 PRO HBx 1.0 1.8 4.7 615 471 A 21 ARG HG2 A 21 ARG HA 1.0 1.8 4.9 616 471 A 21 ARG HG3 A 21 ARG HA 1.0 1.8 4.9 617 472 A 10 GLY H A 10 GLY HAx 1.0 1.8 5.5 618 473 A 9 CYS H A 9 CYS HBx 1.0 1.8 4.2 619 474 A 11 ARG H A 11 ARG HA 1.0 1.8 4.3 620 475 A 26 HIS H A 24 GLU HA 1.0 1.8 6.0 621 476 A 8 TYR HDy A 8 TYR HBy 1.0 1.8 6.0 622 476 A 8 TYR HDx A 8 TYR HBy 1.0 1.8 6.0 623 477 A 20 MET H A 18 SER H 1.0 1.8 4.3 624 478 A 24 GLU HB2 A 24 GLU HGy 1.0 1.8 5.0 625 478 A 24 GLU HB3 A 24 GLU HGy 1.0 1.8 5.0 626 479 A 8 TYR HDy A 23 LEU HDx% 1.0 1.8 6.0 627 479 A 8 TYR HDx A 23 LEU HDx% 1.0 1.8 6.0 628 480 A 24 GLU H A 25 THR H 1.0 1.8 4.3 629 481 A 21 ARG HB2 A 17 THR HG2% 1.0 1.8 6.0 630 481 A 21 ARG HB3 A 17 THR HG2% 1.0 1.8 6.0 631 482 A 17 THR HB A 18 SER H 1.0 1.8 3.7 632 483 A 12 SER HB2 A 12 SER HA 1.0 1.8 6.0 633 483 A 12 SER HB3 A 12 SER HA 1.0 1.8 6.0 634 484 A 4 TYR HDy A 4 TYR HBy 1.0 1.8 4.7 635 484 A 4 TYR HDx A 4 TYR HBy 1.0 1.8 4.7 636 485 A 6 CYS HBy A 9 CYS H 1.0 1.8 4.2 637 486 A 4 TYR H A 4 TYR HBy 1.0 1.8 6.0 638 487 A 21 ARG H A 18 SER HA 1.0 1.8 4.0 639 488 A 15 ASP H A 14 SER HA 1.0 1.8 4.4 640 489 A 22 HIS H A 21 ARG H 1.0 1.8 4.3 641 490 A 8 TYR H A 10 GLY H 1.0 1.8 5.4 642 491 A 24 GLU HGx A 21 ARG HA 1.0 1.8 5.2 643 492 A 24 GLU HGx A 24 GLU HGy 1.0 1.8 4.6 644 493 A 21 ARG HD2 A 21 ARG H 1.0 1.8 4.9 645 493 A 21 ARG HD3 A 21 ARG H 1.0 1.8 4.9 646 494 A 11 ARG H A 11 ARG HGx 1.0 1.8 4.2 647 495 A 8 TYR HDy A 7 ASP HBx 1.0 1.8 6.0 648 495 A 8 TYR HDx A 7 ASP HBx 1.0 1.8 6.0 649 496 A 11 ARG H A 6 CYS H 1.0 1.8 5.0 650 497 A 23 LEU H A 23 LEU HBy 1.0 1.8 4.7 651 498 A 4 TYR HDy A 15 ASP H 1.0 1.8 6.0 652 498 A 4 TYR HDx A 15 ASP H 1.0 1.8 6.0 653 499 A 13 PHE HBx A 13 PHE HBy 1.0 1.8 5.6 654 500 A 23 LEU HBx A 24 GLU H 1.0 1.8 4.0 655 501 A 22 HIS HBx A 13 PHE HZ 1.0 1.8 5.2 656 502 A 20 MET H A 20 MET HBx 1.0 1.8 4.1 657 503 A 18 SER HA A 18 SER H 1.0 1.8 4.0 658 504 A 15 ASP H A 15 ASP HBy 1.0 1.8 4.2 659 505 A 21 ARG H A 18 SER HA 1.0 1.8 5.9 660 506 A 22 HIS HA A 22 HIS HBx 1.0 1.8 5.6 661 507 A 6 CYS HBy A 6 CYS HA 1.0 1.8 6.0 662 508 A 23 LEU HDx% A 26 HIS HD2 1.0 1.8 5.5 663 509 A 11 ARG HBx A 11 ARG HGx 1.0 1.8 4.1 664 509 A 11 ARG HGy A 11 ARG HBx 1.0 1.8 4.1 665 510 A 23 LEU HDy% A 23 LEU HDx% 1.0 1.8 5.8 666 511 A 26 HIS HE1 A 9 CYS HBx 1.0 1.8 5.3 667 512 A 20 MET HA A 20 MET HBy 1.0 1.8 5.5 668 513 A 6 CYS HBy A 9 CYS HBx 1.0 1.8 5.3 669 514 A 8 TYR HDy A 7 ASP HA 1.0 1.8 6.0 670 514 A 8 TYR HDx A 7 ASP HA 1.0 1.8 6.0 671 515 A 22 HIS HA A 22 HIS HBx 1.0 1.8 6.0 672 516 A 8 TYR HBy A 9 CYS H 1.0 1.8 6.0 673 517 A 23 LEU HDy% A 20 MET HBy 1.0 1.8 6.0 674 518 A 11 ARG HDx A 11 ARG HBx 1.0 1.8 5.3 675 519 A 6 CYS HBy A 11 ARG H 1.0 1.8 4.3 676 520 A 5 GLN HB2 A 5 GLN H 1.0 1.8 4.7 677 520 A 5 GLN HB3 A 5 GLN H 1.0 1.8 4.7 678 521 A 8 TYR H A 8 TYR HA 1.0 1.8 4.1 679 522 A 22 HIS H A 18 SER HA 1.0 1.8 6.0 680 523 A 11 ARG H A 10 GLY HAx 1.0 1.8 4.8 681 524 A 13 PHE HDy A 13 PHE HBx 1.0 1.8 4.9 682 524 A 13 PHE HDx A 13 PHE HBx 1.0 1.8 4.9 683 525 A 13 PHE H A 13 PHE HA 1.0 1.8 4.3 684 526 A 16 PRO HA A 16 PRO HB2 1.0 1.8 5.8 685 526 A 16 PRO HA A 16 PRO HB3 1.0 1.8 5.8 686 527 A 23 LEU HBx A 20 MET HA 1.0 1.8 4.9 687 528 A 21 ARG HG2 A 21 ARG H 1.0 1.8 4.1 688 528 A 21 ARG HG3 A 21 ARG H 1.0 1.8 4.1 689 529 A 8 TYR H A 7 ASP HBy 1.0 1.8 4.7 690 530 A 20 MET HG2 A 20 MET HBy 1.0 1.8 4.3 691 530 A 20 MET HG3 A 20 MET HBy 1.0 1.8 4.3 692 531 A 18 SER HB3 A 13 PHE HDy 1.0 1.8 6.0 693 531 A 13 PHE HDy A 18 SER HB2 1.0 1.8 6.0 694 531 A 13 PHE HDx A 18 SER HB2 1.0 1.8 6.0 695 531 A 18 SER HB3 A 13 PHE HDx 1.0 1.8 6.0 696 532 A 22 HIS HA A 25 THR H 1.0 1.8 5.6 697 533 A 8 TYR H A 7 ASP HBx 1.0 1.8 4.8 698 534 A 15 ASP H A 13 PHE HBy 1.0 1.8 4.1 699 535 A 8 TYR HDy A 26 HIS HE1 1.0 1.8 6.0 700 535 A 8 TYR HDx A 26 HIS HE1 1.0 1.8 6.0 701 536 A 8 TYR H A 8 TYR HA 1.0 1.8 6.0 702 537 A 20 MET H A 20 MET HA 1.0 1.8 3.2 703 538 A 24 GLU H A 21 ARG HA 1.0 1.8 6.0 704 539 A 22 HIS H A 23 LEU H 1.0 1.8 4.8 705 540 A 23 LEU HDx% A 22 HIS HD2 1.0 1.8 6.0 706 541 A 13 PHE HDy A 13 PHE HZ 1.0 1.8 5.0 707 541 A 13 PHE HDx A 13 PHE HZ 1.0 1.8 5.0 708 542 A 6 CYS HBy A 9 CYS H 1.0 1.8 6.0 709 543 A 20 MET H A 18 SER HA 1.0 1.8 3.2 710 544 A 9 CYS H A 10 GLY HAx 1.0 1.8 4.6 711 545 A 22 HIS HBx A 22 HIS HD2 1.0 1.8 6.0 712 546 A 23 LEU HA A 26 HIS HD2 1.0 1.8 5.6 713 547 A 6 CYS HBy A 6 CYS H 1.0 1.8 4.3 714 548 A 23 LEU HBx A 23 LEU H 1.0 1.8 6.0 715 549 A 22 HIS H A 22 HIS HD2 1.0 1.8 6.0 716 550 A 26 HIS HBy A 26 HIS HBx 1.0 1.8 5.6 717 551 A 11 ARG HBy A 11 ARG HBx 1.0 1.8 4.0 718 552 A 23 LEU HDy% A 23 LEU HBx 1.0 1.8 6.0 719 553 A 11 ARG HDx A 11 ARG HGx 1.0 1.8 4.9 720 554 A 12 SER H A 11 ARG HA 1.0 1.8 4.0 721 555 A 8 TYR H A 6 CYS H 1.0 1.8 5.2 722 556 A 22 HIS H A 21 ARG HA 1.0 1.8 6.0 723 557 A 11 ARG HGy A 11 ARG HBx 1.0 1.8 4.8 724 558 A 23 LEU HDy% A 23 LEU HBy 1.0 1.8 6.0 725 559 A 23 LEU HA A 26 HIS HBy 1.0 1.8 6.0 726 560 A 12 SER H A 11 ARG HGx 1.0 1.8 5.3 727 560 A 12 SER H A 11 ARG HGy 1.0 1.8 5.3 728 561 A 23 LEU HDx% A 22 HIS HD2 1.0 1.8 6.0 729 562 A 9 CYS HBy A 9 CYS HBx 1.0 1.8 5.2 730 563 A 15 ASP H A 13 PHE HBx 1.0 1.8 3.8 731 564 A 23 LEU HBy A 22 HIS HD2 1.0 1.8 6.0 732 565 A 26 HIS HBy A 26 HIS HD2 1.0 1.8 5.6 733 566 A 6 CYS HBy A 11 ARG HGx 1.0 1.8 6.0 734 566 A 6 CYS HBy A 11 ARG HGy 1.0 1.8 6.0 735 567 A 20 MET HA A 20 MET HBx 1.0 1.8 5.4 736 568 A 20 MET HA A 23 LEU HBy 1.0 1.8 4.1 737 569 A 19 LYS HG2 A 19 LYS HBx 1.0 1.8 4.6 738 569 A 19 LYS HG3 A 19 LYS HBx 1.0 1.8 4.6 739 570 A 10 GLY H A 9 CYS HBx 1.0 1.8 4.9 740 571 A 13 PHE H A 12 SER HB2 1.0 1.8 5.3 741 571 A 13 PHE H A 12 SER HB3 1.0 1.8 5.3 742 572 A 23 LEU HDy% A 20 MET HA 1.0 1.8 6.0 743 573 A 26 HIS H A 26 HIS HA 1.0 1.8 5.0 744 574 A 24 GLU H A 24 GLU HA 1.0 1.8 4.3 745 575 A 10 GLY H A 10 GLY HAy 1.0 1.8 5.0 746 576 A 21 ARG H A 21 ARG HB2 1.0 1.8 3.5 747 576 A 21 ARG H A 21 ARG HB3 1.0 1.8 3.5 748 577 A 13 PHE H A 12 SER HB2 1.0 1.8 4.1 749 577 A 13 PHE H A 12 SER HB3 1.0 1.8 4.1 750 578 A 5 GLN HB2 A 6 CYS H 1.0 1.8 4.9 751 578 A 5 GLN HB3 A 6 CYS H 1.0 1.8 4.9 752 579 A 19 LYS H A 18 SER HA 1.0 1.8 4.7 753 580 A 13 PHE H A 4 TYR H 1.0 1.8 4.8 754 581 A 8 TYR H A 7 ASP HA 1.0 1.8 6.0 755 582 A 4 TYR HDy A 16 PRO HA 1.0 1.8 6.0 756 582 A 4 TYR HDx A 16 PRO HA 1.0 1.8 6.0 757 583 A 19 LYS H A 19 LYS HE2 1.0 1.8 5.5 758 583 A 19 LYS H A 19 LYS HE3 1.0 1.8 5.5 759 584 A 19 LYS H A 13 PHE HBy 1.0 1.8 5.5 760 585 A 17 THR HA A 17 THR HG2% 1.0 1.8 6.0 761 586 A 6 CYS H A 5 GLN HG2 1.0 1.8 5.2 762 586 A 6 CYS H A 5 GLN HG3 1.0 1.8 5.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -90.0 -40.04 PHI 2 2 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 TYR N 1.0 130.0 179.96 PSI 3 3 A 4 TYR C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -160.0 -71.34 PHI 4 4 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 CYS N 1.0 100.0 159.68 PSI 5 5 A 5 GLN C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -110.0 -23.34 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 ASP N 1.0 100.0 156.32 PSI 7 7 A 6 CYS C A 7 ASP N A 7 ASP CA A 7 ASP C 1.0 -80.0 -30.02 PHI 8 8 A 7 ASP N A 7 ASP CA A 7 ASP C A 8 TYR N 1.0 -70.0 -1.64 PSI 9 9 A 7 ASP C A 8 TYR N A 8 TYR CA A 8 TYR C 1.0 -110.0 -22.52 PHI 10 10 A 8 TYR N A 8 TYR CA A 8 TYR C A 9 CYS N 1.0 -70.0 21.00 PSI 11 11 A 8 TYR C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -120.0 -62.60 PHI 12 12 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 GLY N 1.0 -40.0 35.52 PSI 13 13 A 9 CYS C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 50.0 115.34 PHI 14 14 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ARG N 1.0 -30.0 38.80 PSI 15 15 A 10 GLY C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -110.0 -25.48 PHI 16 16 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 SER N 1.0 130.0 169.76 PSI 17 17 A 11 ARG C A 12 SER N A 12 SER CA A 12 SER C 1.0 -160.0 -76.44 PHI 18 18 A 12 SER N A 12 SER CA A 12 SER C A 13 PHE N 1.0 90.0 180.98 PSI 19 19 A 12 SER C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -180.0 -89.26 PHI 20 20 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 SER N 1.0 120.0 199.44 PSI 21 21 A 13 PHE C A 14 SER N A 14 SER CA A 14 SER C 1.0 -120.0 -38.38 PHI 22 22 A 14 SER N A 14 SER CA A 14 SER C A 15 ASP N 1.0 -60.0 21.46 PSI 23 23 A 14 SER C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -150.0 -20.06 PHI 24 24 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 PRO N 1.0 90.0 143.26 PSI 25 25 A 15 ASP C A 16 PRO N A 16 PRO CA A 16 PRO C 1.0 -80.0 -30.50 PHI 26 26 A 16 PRO C A 17 THR N A 17 THR CA A 17 THR C 1.0 -90.0 -35.70 PHI 27 27 A 17 THR N A 17 THR CA A 17 THR C A 18 SER N 1.0 -70.0 -4.86 PSI 28 28 A 17 THR C A 18 SER N A 18 SER CA A 18 SER C 1.0 -90.0 -40.52 PHI 29 29 A 18 SER N A 18 SER CA A 18 SER C A 19 LYS N 1.0 -60.0 -16.54 PSI 30 30 A 18 SER C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -90.0 -39.26 PHI 31 31 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 MET N 1.0 -70.0 -19.58 PSI 32 32 A 19 LYS C A 20 MET N A 20 MET CA A 20 MET C 1.0 -90.0 -29.78 PHI 33 33 A 20 MET N A 20 MET CA A 20 MET C A 21 ARG N 1.0 -70.0 -14.16 PSI 34 34 A 20 MET C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -90.0 -29.02 PHI 35 35 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 HIS N 1.0 -70.0 -20.20 PSI 36 36 A 21 ARG C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -90.0 -38.42 PHI 37 37 A 22 HIS N A 22 HIS CA A 22 HIS C A 23 LEU N 1.0 -70.0 -16.80 PSI 38 38 A 22 HIS C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -80.0 -45.00 PHI 39 39 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLU N 1.0 -70.0 -19.24 PSI 40 40 A 23 LEU C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -90.0 -38.14 PHI 41 41 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 THR N 1.0 -60.0 8.10 PSI 42 42 A 24 GLU C A 25 THR N A 25 THR CA A 25 THR C 1.0 -110.0 -34.06 PHI 43 43 A 25 THR N A 25 THR CA A 25 THR C A 26 HIS N 1.0 -60.0 -0.52 PSI 44 44 A 25 THR C A 26 HIS N A 26 HIS CA A 26 HIS C 1.0 -120.0 -55.20 PHI 45 45 A 26 HIS N A 26 HIS CA A 26 HIS C A 27 ASP N 1.0 -40.0 30.34 PSI 46 46 A 28 THR C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -120.0 -21.84 PHI 47 47 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 LYS N 1.0 -70.0 37.00 PSI 48 48 A 29 ASP C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -170.0 -66.20 PHI 49 49 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 140.0 220.00 CHI1 50 50 A 19 LYS N A 19 LYS CA A 19 LYS CB A 19 LYS CG 1.0 140.0 220.00 CHI1 51 51 A 22 HIS N A 22 HIS CA A 22 HIS CB A 22 HIS CG 1.0 140.0 220.00 CHI1 stop_ save_