data_nef_c19646_2mhp 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 2MHP 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 6 CYS SG 1 47 CYS SG 1 15 CYS SG 1 43 CYS SG 1 27 CYS SG 1 38 CYS SG 1 31 CYS SG 1 66 CYS SG 1 49 CYS SG 1 60 CYS SG 1 68 CYS SG 1 90 CYS SG 1 85 CYS SG 1 102 CYS SG 1 88 CYS SG 1 97 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 CYS middle -HG . 7 A 7 ARG middle . . 8 A 8 PRO middle . false 9 A 9 PRO middle . false 10 A 10 MET middle . . 11 A 11 VAL middle . . 12 A 12 LYS middle . . 13 A 13 LEU middle . . 14 A 14 VAL middle . . 15 A 15 CYS middle -HG . 16 A 16 PRO middle . false 17 A 17 ALA middle . . 18 A 18 ASP middle . . 19 A 19 ASN middle . . 20 A 20 LEU middle . . 21 A 21 ARG middle . . 22 A 22 ALA middle . . 23 A 23 GLU middle . . 24 A 24 GLY middle . false 25 A 25 LEU middle . . 26 A 26 GLU middle . . 27 A 27 CYS middle -HG . 28 A 28 THR middle . . 29 A 29 LYS middle . . 30 A 30 THR middle . . 31 A 31 CYS middle -HG . 32 A 32 GLN middle . . 33 A 33 ASN middle . . 34 A 34 TYR middle . . 35 A 35 ASP middle . . 36 A 36 LEU middle . . 37 A 37 GLU middle . . 38 A 38 CYS middle -HG . 39 A 39 MET middle . . 40 A 40 SER middle . . 41 A 41 MET middle . . 42 A 42 GLY middle . false 43 A 43 CYS middle -HG . 44 A 44 VAL middle . . 45 A 45 SER middle . . 46 A 46 GLY middle . false 47 A 47 CYS middle -HG . 48 A 48 LEU middle . . 49 A 49 CYS middle -HG . 50 A 50 PRO middle . false 51 A 51 PRO middle . false 52 A 52 GLY middle . false 53 A 53 MET middle . . 54 A 54 VAL middle . . 55 A 55 ARG middle . . 56 A 56 HIS middle . . 57 A 57 GLU middle . . 58 A 58 ASN middle . . 59 A 59 ARG middle . . 60 A 60 CYS middle -HG . 61 A 61 VAL middle . . 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 GLU middle . . 65 A 65 ARG middle . . 66 A 66 CYS middle -HG . 67 A 67 PRO middle . false 68 A 68 CYS middle -HG . 69 A 69 PHE middle . . 70 A 70 HIS middle . . 71 A 71 GLN middle . . 72 A 72 GLY middle . false 73 A 73 LYS middle . . 74 A 74 GLU middle . . 75 A 75 TYR middle . . 76 A 76 ALA middle . . 77 A 77 PRO middle . false 78 A 78 GLY middle . false 79 A 79 GLU middle . . 80 A 80 THR middle . . 81 A 81 VAL middle . . 82 A 82 LYS middle . . 83 A 83 ILE middle . . 84 A 84 GLY middle . false 85 A 85 CYS middle -HG . 86 A 86 ASN middle . . 87 A 87 THR middle . . 88 A 88 CYS middle -HG . 89 A 89 VAL middle . . 90 A 90 CYS middle -HG . 91 A 91 ARG middle . . 92 A 92 ASP middle . . 93 A 93 ARG middle . . 94 A 94 LYS middle . . 95 A 95 TRP middle . . 96 A 96 ASN middle . . 97 A 97 CYS middle -HG . 98 A 98 THR middle . . 99 A 99 ASP middle . . 100 A 100 HIS middle . . 101 A 101 VAL middle . . 102 A 102 CYS middle -HG . 103 A 103 ASP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.314 0.003 A 2 ALA HB% H 1 1.369 0.003 A 2 ALA CA C 13 52.571 0.037 A 2 ALA CB C 13 19.315 0.000 A 3 MET HA H 1 4.438 0.003 A 3 MET HBy H 1 2.072 0.001 A 3 MET HBx H 1 2.021 0.001 A 3 MET HE% H 1 2.061 0.000 A 3 MET HGy H 1 2.602 0.004 A 3 MET HGx H 1 2.535 0.004 A 3 MET CA C 13 55.752 0.019 A 3 MET CB C 13 32.785 0.045 A 3 MET CE C 13 16.977 0.000 A 3 MET CG C 13 32.024 0.032 A 6 CYS H H 1 8.184 0.000 A 6 CYS N N 15 123.547 0.000 A 8 PRO HA H 1 4.565 0.000 A 8 PRO HBy H 1 2.323 0.000 A 8 PRO HBx H 1 1.922 0.000 A 8 PRO HDy H 1 3.791 0.003 A 8 PRO HDx H 1 3.555 0.008 A 8 PRO CA C 13 62.078 0.000 A 8 PRO CB C 13 30.636 0.004 A 8 PRO CD C 13 50.454 0.002 A 9 PRO HA H 1 4.564 0.005 A 9 PRO HBy H 1 2.305 0.007 A 9 PRO HBx H 1 2.152 0.005 A 9 PRO HDy H 1 3.524 0.004 A 9 PRO HDx H 1 3.480 0.003 A 9 PRO HGy H 1 2.008 0.002 A 9 PRO HGx H 1 1.437 0.009 A 9 PRO CA C 13 64.007 0.019 A 9 PRO CB C 13 33.632 0.063 A 9 PRO CD C 13 49.539 0.037 A 9 PRO CG C 13 24.545 0.037 A 10 MET H H 1 8.759 0.003 A 10 MET HA H 1 4.346 0.005 A 10 MET HBy H 1 2.056 0.004 A 10 MET HBx H 1 1.782 0.004 A 10 MET HE% H 1 1.928 0.001 A 10 MET HGy H 1 2.725 0.005 A 10 MET HGx H 1 2.271 0.004 A 10 MET CA C 13 57.932 0.046 A 10 MET CB C 13 33.859 0.055 A 10 MET CE C 13 18.044 0.031 A 10 MET CG C 13 34.256 0.059 A 10 MET N N 15 123.176 0.055 A 11 VAL H H 1 8.855 0.008 A 11 VAL HA H 1 4.301 0.003 A 11 VAL HB H 1 1.974 0.004 A 11 VAL HGx% H 1 0.887 0.003 A 11 VAL HGy% H 1 0.825 0.007 A 11 VAL CA C 13 59.732 0.009 A 11 VAL CB C 13 35.145 0.041 A 11 VAL CGy C 13 21.357 0.035 A 11 VAL CGx C 13 19.573 0.105 A 11 VAL N N 15 116.266 0.041 A 12 LYS H H 1 8.448 0.004 A 12 LYS HA H 1 4.371 0.007 A 12 LYS HBy H 1 1.770 0.006 A 12 LYS HBx H 1 1.605 0.005 A 12 LYS HGy H 1 1.242 0.006 A 12 LYS HGx H 1 1.210 0.003 A 12 LYS CA C 13 56.715 0.031 A 12 LYS CB C 13 33.170 0.042 A 12 LYS CG C 13 25.207 0.045 A 12 LYS N N 15 125.383 0.034 A 13 LEU H H 1 9.145 0.006 A 13 LEU HA H 1 4.549 0.005 A 13 LEU HBy H 1 1.919 0.007 A 13 LEU HBx H 1 1.498 0.006 A 13 LEU HDx% H 1 0.865 0.003 A 13 LEU HDy% H 1 0.901 0.002 A 13 LEU HG H 1 1.592 0.004 A 13 LEU CA C 13 54.112 0.019 A 13 LEU CB C 13 43.288 0.034 A 13 LEU CDx C 13 24.974 0.043 A 13 LEU CDy C 13 25.383 0.035 A 13 LEU CG C 13 28.227 0.037 A 13 LEU N N 15 132.136 0.042 A 14 VAL H H 1 8.578 0.006 A 14 VAL HA H 1 4.149 0.008 A 14 VAL HB H 1 1.931 0.003 A 14 VAL HGx% H 1 0.860 0.004 A 14 VAL HGy% H 1 0.864 0.005 A 14 VAL CA C 13 61.132 0.036 A 14 VAL CB C 13 32.365 0.006 A 14 VAL CGy C 13 20.987 0.039 A 14 VAL CGx C 13 20.981 0.008 A 14 VAL N N 15 127.590 0.038 A 15 CYS H H 1 8.643 0.004 A 15 CYS HA H 1 4.291 0.005 A 15 CYS HBy H 1 2.962 0.006 A 15 CYS HBx H 1 2.691 0.007 A 15 CYS CA C 13 56.014 0.000 A 15 CYS CB C 13 40.082 0.029 A 15 CYS N N 15 129.201 0.025 A 16 PRO HA H 1 4.497 0.003 A 16 PRO HBy H 1 2.290 0.011 A 16 PRO HBx H 1 2.100 0.005 A 16 PRO HDy H 1 3.801 0.008 A 16 PRO HDx H 1 3.613 0.007 A 16 PRO HGy H 1 2.154 0.012 A 16 PRO HGx H 1 2.062 0.013 A 16 PRO CA C 13 62.350 0.034 A 16 PRO CB C 13 32.151 0.045 A 16 PRO CD C 13 50.442 0.012 A 16 PRO CG C 13 27.459 0.041 A 17 ALA H H 1 8.553 0.015 A 17 ALA HA H 1 4.120 0.004 A 17 ALA HB% H 1 1.376 0.004 A 17 ALA CA C 13 53.417 0.060 A 17 ALA CB C 13 18.882 0.151 A 17 ALA N N 15 124.507 0.052 A 18 ASP H H 1 8.116 0.005 A 18 ASP HA H 1 4.505 0.004 A 18 ASP HBy H 1 2.748 0.005 A 18 ASP HBx H 1 2.635 0.004 A 18 ASP CA C 13 53.654 0.012 A 18 ASP CB C 13 40.387 0.050 A 18 ASP N N 15 114.322 0.035 A 19 ASN H H 1 7.669 0.005 A 19 ASN HA H 1 4.656 0.007 A 19 ASN HBx H 1 2.809 0.004 A 19 ASN HBy H 1 2.813 0.000 A 19 ASN HD21 H 1 7.623 0.005 A 19 ASN HD22 H 1 6.892 0.002 A 19 ASN CA C 13 53.230 0.034 A 19 ASN CB C 13 38.076 0.028 A 19 ASN N N 15 115.834 0.004 A 19 ASN ND2 N 15 111.505 0.026 A 20 LEU HA H 1 4.287 0.005 A 20 LEU HBy H 1 1.659 0.002 A 20 LEU HBx H 1 1.596 0.003 A 20 LEU HDx% H 1 0.918 0.008 A 20 LEU HDy% H 1 0.847 0.006 A 20 LEU CA C 13 55.807 0.021 A 20 LEU CB C 13 41.758 0.035 A 20 LEU CDy C 13 25.022 0.002 A 20 LEU CDx C 13 23.143 0.040 A 21 ARG H H 1 7.897 0.002 A 21 ARG HA H 1 4.303 0.004 A 21 ARG HBy H 1 1.946 0.004 A 21 ARG HBx H 1 1.736 0.004 A 21 ARG HDx H 1 3.180 0.003 A 21 ARG HDy H 1 3.182 0.000 A 21 ARG HGy H 1 1.642 0.003 A 21 ARG HGx H 1 1.540 0.005 A 21 ARG CA C 13 55.632 0.020 A 21 ARG CB C 13 29.732 0.032 A 21 ARG CD C 13 43.128 0.046 A 21 ARG CG C 13 27.129 0.031 A 21 ARG N N 15 117.867 0.042 A 22 ALA H H 1 7.345 0.012 A 22 ALA HA H 1 4.215 0.003 A 22 ALA HB% H 1 1.349 0.006 A 22 ALA CA C 13 52.261 0.046 A 22 ALA CB C 13 20.466 0.035 A 22 ALA N N 15 123.746 0.007 A 23 GLU H H 1 8.061 0.008 A 23 GLU HA H 1 4.542 0.009 A 23 GLU HBy H 1 2.273 0.001 A 23 GLU HBx H 1 1.885 0.010 A 23 GLU HGy H 1 2.131 0.017 A 23 GLU HGx H 1 1.710 0.005 A 23 GLU CA C 13 56.544 0.050 A 23 GLU N N 15 119.157 0.039 A 25 LEU HA H 1 4.315 0.003 A 25 LEU HBy H 1 1.666 0.000 A 25 LEU HBx H 1 1.576 0.000 A 25 LEU HDx% H 1 0.895 0.001 A 25 LEU HDy% H 1 0.835 0.001 A 25 LEU HG H 1 1.600 0.000 A 25 LEU CA C 13 55.313 0.013 A 25 LEU CB C 13 42.152 0.007 A 25 LEU CDy C 13 25.081 0.002 A 25 LEU CDx C 13 23.503 0.008 A 25 LEU CG C 13 26.986 0.000 A 26 GLU H H 1 8.165 0.004 A 26 GLU N N 15 121.770 0.058 A 28 THR HB H 1 4.085 0.002 A 28 THR HG2% H 1 1.224 0.003 A 28 THR CB C 13 70.366 0.016 A 28 THR CG2 C 13 21.424 0.019 A 29 LYS H H 1 8.762 0.005 A 29 LYS HA H 1 5.059 0.004 A 29 LYS HBy H 1 1.863 0.002 A 29 LYS HBx H 1 1.845 0.003 A 29 LYS HEx H 1 2.925 0.004 A 29 LYS HEy H 1 2.928 0.000 A 29 LYS HGy H 1 1.655 0.003 A 29 LYS HGx H 1 1.621 0.004 A 29 LYS CA C 13 54.874 0.015 A 29 LYS CB C 13 34.598 0.032 A 29 LYS CE C 13 42.477 0.027 A 29 LYS CG C 13 24.691 0.015 A 29 LYS N N 15 128.269 0.040 A 30 THR H H 1 9.410 0.004 A 30 THR HA H 1 5.450 0.006 A 30 THR HB H 1 4.953 0.006 A 30 THR HG2% H 1 1.217 0.003 A 30 THR CA C 13 58.958 0.026 A 30 THR CB C 13 72.724 0.039 A 30 THR CG2 C 13 21.387 0.034 A 30 THR N N 15 116.019 0.037 A 31 CYS H H 1 8.587 0.005 A 31 CYS HA H 1 4.376 0.003 A 31 CYS HBy H 1 3.181 0.003 A 31 CYS HBx H 1 3.034 0.005 A 31 CYS CA C 13 57.480 0.072 A 31 CYS CB C 13 36.316 0.037 A 31 CYS N N 15 115.821 0.026 A 32 GLN H H 1 8.303 0.004 A 32 GLN HA H 1 4.127 0.003 A 32 GLN HBy H 1 1.945 0.004 A 32 GLN HBx H 1 1.863 0.003 A 32 GLN HE21 H 1 7.329 0.004 A 32 GLN HE22 H 1 6.751 0.002 A 32 GLN HGx H 1 2.155 0.007 A 32 GLN HGy H 1 2.162 0.001 A 32 GLN CA C 13 58.102 0.038 A 32 GLN CB C 13 29.341 0.052 A 32 GLN CG C 13 34.424 0.065 A 32 GLN N N 15 115.926 0.043 A 32 GLN NE2 N 15 111.938 0.031 A 33 ASN H H 1 7.925 0.006 A 33 ASN HA H 1 4.760 0.006 A 33 ASN HBy H 1 3.316 0.007 A 33 ASN HBx H 1 2.628 0.006 A 33 ASN HD21 H 1 7.396 0.005 A 33 ASN HD22 H 1 7.010 0.009 A 33 ASN CA C 13 51.927 0.000 A 33 ASN CB C 13 39.325 0.039 A 33 ASN N N 15 117.107 0.053 A 33 ASN ND2 N 15 108.104 0.062 A 34 TYR H H 1 7.310 0.003 A 34 TYR HA H 1 3.885 0.007 A 34 TYR HBy H 1 3.384 0.004 A 34 TYR HBx H 1 2.739 0.007 A 34 TYR HDx H 1 6.952 0.005 A 34 TYR HDy H 1 6.952 0.005 A 34 TYR HEx H 1 6.702 0.003 A 34 TYR HEy H 1 6.702 0.003 A 34 TYR CA C 13 63.779 0.033 A 34 TYR CB C 13 39.078 0.046 A 34 TYR CDx C 13 133.344 0.060 A 34 TYR CDy C 13 133.344 0.060 A 34 TYR CEx C 13 118.227 0.087 A 34 TYR CEy C 13 118.227 0.087 A 34 TYR N N 15 120.190 0.033 A 35 ASP H H 1 8.291 0.003 A 35 ASP HA H 1 4.507 0.003 A 35 ASP HBy H 1 2.793 0.010 A 35 ASP HBx H 1 2.472 0.003 A 35 ASP CA C 13 54.482 0.063 A 35 ASP CB C 13 41.078 0.046 A 35 ASP N N 15 113.579 0.032 A 36 LEU H H 1 7.787 0.004 A 36 LEU HA H 1 4.406 0.004 A 36 LEU HBy H 1 1.742 0.004 A 36 LEU HBx H 1 1.490 0.003 A 36 LEU HDx% H 1 0.912 0.004 A 36 LEU HDy% H 1 0.813 0.005 A 36 LEU HG H 1 1.566 0.004 A 36 LEU CA C 13 53.959 0.018 A 36 LEU CB C 13 42.569 0.050 A 36 LEU CDy C 13 25.304 0.021 A 36 LEU CDx C 13 22.659 0.026 A 36 LEU CG C 13 26.865 0.017 A 36 LEU N N 15 120.878 0.042 A 37 GLU H H 1 8.490 0.005 A 37 GLU HA H 1 4.120 0.005 A 37 GLU HBy H 1 1.909 0.001 A 37 GLU HBx H 1 1.863 0.003 A 37 GLU HGy H 1 2.241 0.004 A 37 GLU HGx H 1 2.168 0.002 A 37 GLU CA C 13 56.295 0.037 A 37 GLU CB C 13 30.252 0.013 A 37 GLU CG C 13 36.298 0.023 A 37 GLU N N 15 122.509 0.035 A 39 MET HA H 1 4.588 0.009 A 39 MET HBy H 1 2.008 0.001 A 39 MET HBx H 1 1.925 0.001 A 39 MET HGy H 1 2.498 0.001 A 39 MET HGx H 1 2.414 0.002 A 39 MET CA C 13 54.180 0.000 A 39 MET CB C 13 31.754 0.009 A 39 MET CG C 13 32.049 0.002 A 40 SER H H 1 8.374 0.005 A 40 SER HA H 1 4.288 0.002 A 40 SER HBy H 1 3.924 0.005 A 40 SER HBx H 1 3.698 0.002 A 40 SER CA C 13 58.207 0.030 A 40 SER CB C 13 63.324 0.018 A 40 SER N N 15 118.194 0.028 A 41 MET HA H 1 4.677 0.001 A 41 MET HGy H 1 2.687 0.000 A 41 MET HGx H 1 2.491 0.002 A 41 MET CA C 13 54.482 0.000 A 41 MET CG C 13 32.366 0.033 A 42 GLY H H 1 8.035 0.003 A 42 GLY HAy H 1 4.081 0.007 A 42 GLY HAx H 1 3.601 0.004 A 42 GLY CA C 13 45.423 0.041 A 42 GLY N N 15 111.120 0.027 A 43 CYS H H 1 8.463 0.004 A 43 CYS HA H 1 4.556 0.002 A 43 CYS HBy H 1 3.105 0.010 A 43 CYS HBx H 1 2.843 0.003 A 43 CYS CB C 13 38.600 0.042 A 43 CYS N N 15 126.270 0.086 A 44 VAL HA H 1 4.218 0.003 A 44 VAL HB H 1 2.007 0.003 A 44 VAL HGx% H 1 1.055 0.003 A 44 VAL HGy% H 1 1.029 0.001 A 44 VAL CA C 13 62.334 0.024 A 44 VAL CB C 13 34.050 0.063 A 44 VAL CGx C 13 21.145 0.030 A 44 VAL CGy C 13 21.330 0.055 A 45 SER H H 1 8.484 0.003 A 45 SER HA H 1 4.528 0.005 A 45 SER HBy H 1 4.186 0.005 A 45 SER HBx H 1 3.848 0.007 A 45 SER CA C 13 59.211 0.043 A 45 SER CB C 13 64.191 0.051 A 45 SER N N 15 126.084 0.037 A 46 GLY H H 1 8.516 0.004 A 46 GLY HAy H 1 4.320 0.006 A 46 GLY HAx H 1 3.916 0.009 A 46 GLY CA C 13 45.758 0.085 A 46 GLY N N 15 107.758 0.051 A 47 CYS H H 1 8.554 0.007 A 47 CYS HA H 1 5.227 0.008 A 47 CYS HBy H 1 2.825 0.007 A 47 CYS HBx H 1 2.798 0.003 A 47 CYS CA C 13 54.413 0.038 A 47 CYS CB C 13 41.276 0.009 A 47 CYS N N 15 120.532 0.019 A 48 LEU H H 1 9.410 0.004 A 48 LEU HA H 1 4.686 0.007 A 48 LEU HBy H 1 1.737 0.005 A 48 LEU HBx H 1 1.600 0.003 A 48 LEU HDx% H 1 0.883 0.004 A 48 LEU HDy% H 1 0.834 0.004 A 48 LEU HG H 1 1.748 0.004 A 48 LEU CA C 13 53.774 0.017 A 48 LEU CB C 13 45.572 0.041 A 48 LEU CDy C 13 25.905 0.029 A 48 LEU CDx C 13 24.858 0.065 A 48 LEU CG C 13 27.044 0.038 A 48 LEU N N 15 125.794 0.035 A 49 CYS H H 1 9.188 0.010 A 49 CYS HA H 1 4.522 0.000 A 49 CYS HBy H 1 2.271 0.004 A 49 CYS HBx H 1 2.144 0.004 A 49 CYS CA C 13 54.090 0.000 A 49 CYS CB C 13 36.633 0.045 A 49 CYS N N 15 119.162 0.032 A 52 GLY HAy H 1 4.328 0.009 A 52 GLY HAx H 1 3.662 0.002 A 52 GLY CA C 13 44.936 0.017 A 53 MET H H 1 8.297 0.004 A 53 MET HA H 1 5.043 0.008 A 53 MET HBy H 1 1.957 0.011 A 53 MET HBx H 1 1.755 0.007 A 53 MET HE% H 1 1.933 0.002 A 53 MET HGy H 1 2.447 0.004 A 53 MET HGx H 1 2.050 0.006 A 53 MET CA C 13 54.425 0.064 A 53 MET CB C 13 37.090 0.025 A 53 MET CE C 13 18.403 0.089 A 53 MET CG C 13 33.534 0.048 A 53 MET N N 15 118.736 0.031 A 54 VAL H H 1 9.126 0.005 A 54 VAL HA H 1 4.576 0.006 A 54 VAL HB H 1 1.825 0.004 A 54 VAL HGx% H 1 0.734 0.004 A 54 VAL HGy% H 1 0.571 0.004 A 54 VAL CA C 13 58.879 0.039 A 54 VAL CB C 13 35.361 0.046 A 54 VAL CGy C 13 23.542 0.029 A 54 VAL CGx C 13 19.578 0.023 A 54 VAL N N 15 113.319 0.052 A 55 ARG H H 1 8.490 0.005 A 55 ARG HA H 1 4.980 0.005 A 55 ARG HBy H 1 1.821 0.002 A 55 ARG HBx H 1 1.776 0.004 A 55 ARG HDy H 1 3.112 0.006 A 55 ARG HDx H 1 3.075 0.003 A 55 ARG HGy H 1 1.633 0.003 A 55 ARG HGx H 1 1.520 0.005 A 55 ARG CA C 13 55.602 0.041 A 55 ARG CB C 13 31.287 0.030 A 55 ARG CD C 13 43.535 0.038 A 55 ARG CG C 13 27.370 0.045 A 55 ARG N N 15 122.532 0.038 A 56 HIS H H 1 9.100 0.009 A 56 HIS HA H 1 4.858 0.006 A 56 HIS HBy H 1 3.006 0.004 A 56 HIS HBx H 1 2.840 0.007 A 56 HIS HD2 H 1 6.896 0.007 A 56 HIS HE1 H 1 7.793 0.004 A 56 HIS CA C 13 56.971 0.057 A 56 HIS CB C 13 34.758 0.033 A 56 HIS CD2 C 13 117.027 0.038 A 56 HIS CE1 C 13 138.910 0.035 A 56 HIS N N 15 126.203 0.043 A 57 GLU H H 1 8.953 0.007 A 57 GLU HA H 1 3.563 0.004 A 57 GLU HBy H 1 1.915 0.002 A 57 GLU HBx H 1 1.893 0.005 A 57 GLU HGy H 1 1.714 0.006 A 57 GLU HGx H 1 1.587 0.004 A 57 GLU CA C 13 57.676 0.025 A 57 GLU CB C 13 26.921 0.032 A 57 GLU CG C 13 35.712 0.072 A 57 GLU N N 15 125.530 0.041 A 58 ASN H H 1 8.687 0.004 A 58 ASN HA H 1 4.407 0.002 A 58 ASN HBy H 1 2.986 0.003 A 58 ASN HBx H 1 2.866 0.004 A 58 ASN HD21 H 1 7.569 0.004 A 58 ASN HD22 H 1 6.904 0.004 A 58 ASN CA C 13 53.973 0.013 A 58 ASN CB C 13 38.074 0.034 A 58 ASN N N 15 114.182 0.049 A 58 ASN ND2 N 15 113.597 0.014 A 59 ARG H H 1 8.027 0.005 A 59 ARG HA H 1 4.750 0.006 A 59 ARG HBy H 1 1.893 0.002 A 59 ARG HBx H 1 1.832 0.004 A 59 ARG HDx H 1 3.190 0.004 A 59 ARG HDy H 1 3.192 0.000 A 59 ARG HGy H 1 1.750 0.003 A 59 ARG HGx H 1 1.572 0.006 A 59 ARG CA C 13 54.554 0.000 A 59 ARG CB C 13 33.324 0.014 A 59 ARG CD C 13 43.533 0.069 A 59 ARG CG C 13 26.545 0.040 A 59 ARG N N 15 118.232 0.052 A 60 CYS H H 1 8.703 0.006 A 60 CYS HA H 1 5.477 0.009 A 60 CYS HBy H 1 2.878 0.006 A 60 CYS HBx H 1 2.728 0.007 A 60 CYS CA C 13 53.980 0.044 A 60 CYS CB C 13 40.976 0.030 A 60 CYS N N 15 117.965 0.030 A 61 VAL H H 1 9.671 0.004 A 61 VAL HA H 1 4.625 0.004 A 61 VAL HB H 1 2.025 0.004 A 61 VAL HGx% H 1 0.885 0.004 A 61 VAL HGy% H 1 0.691 0.004 A 61 VAL CA C 13 58.996 0.012 A 61 VAL CB C 13 36.362 0.040 A 61 VAL CGy C 13 21.682 0.043 A 61 VAL CGx C 13 19.875 0.020 A 61 VAL N N 15 119.418 0.040 A 62 ALA H H 1 8.552 0.004 A 62 ALA HA H 1 4.356 0.006 A 62 ALA HB% H 1 1.388 0.004 A 62 ALA CA C 13 52.418 0.027 A 62 ALA CB C 13 18.618 0.033 A 62 ALA N N 15 125.768 0.063 A 63 LEU H H 1 7.979 0.007 A 63 LEU HA H 1 3.782 0.004 A 63 LEU HBy H 1 1.410 0.004 A 63 LEU HBx H 1 1.135 0.004 A 63 LEU HDx% H 1 0.182 0.005 A 63 LEU HDy% H 1 0.310 0.005 A 63 LEU HG H 1 1.123 0.004 A 63 LEU CA C 13 58.182 0.053 A 63 LEU CB C 13 42.411 0.033 A 63 LEU CDx C 13 22.890 0.024 A 63 LEU CDy C 13 25.021 0.023 A 63 LEU CG C 13 26.685 0.057 A 63 LEU N N 15 123.359 0.024 A 64 GLU H H 1 8.950 0.003 A 64 GLU HA H 1 4.025 0.006 A 64 GLU HBy H 1 2.018 0.006 A 64 GLU HBx H 1 2.008 0.000 A 64 GLU HGx H 1 2.165 0.004 A 64 GLU HGy H 1 2.167 0.000 A 64 GLU CA C 13 58.502 0.054 A 64 GLU CB C 13 28.267 0.062 A 64 GLU CG C 13 36.068 0.070 A 64 GLU N N 15 113.695 0.033 A 65 ARG H H 1 8.153 0.007 A 65 ARG HA H 1 4.245 0.006 A 65 ARG HBy H 1 2.060 0.006 A 65 ARG HBx H 1 1.835 0.006 A 65 ARG HDy H 1 3.174 0.005 A 65 ARG HDx H 1 3.171 0.004 A 65 ARG HGy H 1 1.741 0.002 A 65 ARG HGx H 1 1.528 0.004 A 65 ARG CA C 13 54.554 0.021 A 65 ARG CB C 13 29.158 0.055 A 65 ARG CD C 13 42.526 0.030 A 65 ARG CG C 13 26.950 0.025 A 65 ARG N N 15 118.469 0.026 A 66 CYS H H 1 7.601 0.004 A 66 CYS HA H 1 4.224 0.006 A 66 CYS HBy H 1 3.019 0.005 A 66 CYS HBx H 1 2.744 0.006 A 66 CYS CA C 13 55.125 0.044 A 66 CYS CB C 13 37.198 0.046 A 66 CYS N N 15 119.490 0.038 A 67 PRO HA H 1 4.437 0.005 A 67 PRO HBy H 1 1.970 0.004 A 67 PRO HBx H 1 1.496 0.005 A 67 PRO HDy H 1 3.226 0.005 A 67 PRO HDx H 1 3.170 0.005 A 67 PRO HGy H 1 1.682 0.005 A 67 PRO HGx H 1 1.426 0.007 A 67 PRO CA C 13 62.458 0.013 A 67 PRO CB C 13 33.668 0.037 A 67 PRO CD C 13 49.726 0.029 A 67 PRO CG C 13 26.386 0.045 A 68 CYS H H 1 8.424 0.005 A 68 CYS HA H 1 4.328 0.002 A 68 CYS HBy H 1 1.955 0.004 A 68 CYS HBx H 1 1.536 0.005 A 68 CYS CA C 13 56.386 0.015 A 68 CYS CB C 13 42.435 0.042 A 68 CYS N N 15 112.961 0.037 A 69 PHE H H 1 8.799 0.004 A 69 PHE HA H 1 5.831 0.003 A 69 PHE HBy H 1 3.080 0.002 A 69 PHE HBx H 1 2.956 0.003 A 69 PHE HDx H 1 7.109 0.005 A 69 PHE HDy H 1 7.109 0.005 A 69 PHE HEx H 1 7.239 0.004 A 69 PHE HEy H 1 7.239 0.004 A 69 PHE HZ H 1 7.131 0.004 A 69 PHE CA C 13 57.124 0.022 A 69 PHE CB C 13 42.551 0.019 A 69 PHE CDx C 13 132.054 0.043 A 69 PHE CDy C 13 132.054 0.043 A 69 PHE CEx C 13 131.598 0.355 A 69 PHE CEy C 13 131.598 0.355 A 69 PHE CZ C 13 129.002 0.062 A 69 PHE N N 15 118.787 0.020 A 70 HIS H H 1 9.441 0.005 A 70 HIS HA H 1 4.968 0.004 A 70 HIS HBy H 1 2.988 0.006 A 70 HIS HBx H 1 2.868 0.004 A 70 HIS HD2 H 1 6.682 0.008 A 70 HIS HE1 H 1 7.482 0.003 A 70 HIS CA C 13 57.755 0.053 A 70 HIS CB C 13 33.828 0.048 A 70 HIS CD2 C 13 118.872 0.048 A 70 HIS CE1 C 13 138.664 0.036 A 70 HIS N N 15 123.887 0.030 A 71 GLN HA H 1 3.733 0.001 A 71 GLN HBy H 1 2.087 0.002 A 71 GLN HBx H 1 1.650 0.005 A 71 GLN HE21 H 1 7.273 0.005 A 71 GLN HE22 H 1 6.785 0.001 A 71 GLN HGy H 1 1.746 0.003 A 71 GLN HGx H 1 1.334 0.005 A 71 GLN CA C 13 56.512 0.056 A 71 GLN CB C 13 26.732 0.028 A 71 GLN CG C 13 33.404 0.048 A 71 GLN NE2 N 15 111.289 0.035 A 72 GLY H H 1 8.665 0.005 A 72 GLY HAy H 1 4.206 0.005 A 72 GLY HAx H 1 3.693 0.009 A 72 GLY CA C 13 45.486 0.029 A 72 GLY N N 15 104.219 0.043 A 73 LYS H H 1 7.951 0.003 A 73 LYS HA H 1 4.670 0.005 A 73 LYS HBy H 1 1.901 0.003 A 73 LYS HBx H 1 1.832 0.002 A 73 LYS HDx H 1 1.677 0.004 A 73 LYS HDy H 1 1.680 0.001 A 73 LYS HEy H 1 2.918 0.004 A 73 LYS HEx H 1 2.917 0.000 A 73 LYS HGy H 1 1.430 0.003 A 73 LYS HGx H 1 1.208 0.003 A 73 LYS CA C 13 54.931 0.024 A 73 LYS CB C 13 35.124 0.028 A 73 LYS CD C 13 28.949 0.041 A 73 LYS CE C 13 42.349 0.040 A 73 LYS CG C 13 25.305 0.028 A 73 LYS N N 15 122.208 0.024 A 74 GLU H H 1 8.216 0.005 A 74 GLU HA H 1 4.322 0.006 A 74 GLU HBy H 1 1.828 0.006 A 74 GLU HBx H 1 1.704 0.003 A 74 GLU HGy H 1 1.942 0.003 A 74 GLU HGx H 1 1.841 0.004 A 74 GLU CA C 13 55.614 0.052 A 74 GLU CB C 13 31.797 0.042 A 74 GLU CG C 13 36.920 0.038 A 74 GLU N N 15 122.599 0.022 A 75 TYR H H 1 8.937 0.005 A 75 TYR HA H 1 4.431 0.003 A 75 TYR HBy H 1 2.809 0.007 A 75 TYR HBx H 1 2.502 0.009 A 75 TYR HDx H 1 7.227 0.005 A 75 TYR HDy H 1 7.227 0.005 A 75 TYR HEx H 1 6.990 0.004 A 75 TYR HEy H 1 6.990 0.004 A 75 TYR CA C 13 57.231 0.035 A 75 TYR CB C 13 41.874 0.046 A 75 TYR CDx C 13 133.347 0.081 A 75 TYR CDy C 13 133.347 0.081 A 75 TYR CEx C 13 118.515 0.074 A 75 TYR CEy C 13 118.515 0.074 A 75 TYR N N 15 124.173 0.026 A 76 ALA H H 1 8.676 0.002 A 76 ALA HA H 1 4.357 0.003 A 76 ALA HB% H 1 1.295 0.003 A 76 ALA CA C 13 49.933 0.040 A 76 ALA CB C 13 17.807 0.026 A 76 ALA N N 15 124.606 0.029 A 77 PRO HA H 1 3.854 0.003 A 77 PRO HBy H 1 2.260 0.004 A 77 PRO HBx H 1 1.774 0.003 A 77 PRO HDy H 1 3.478 0.003 A 77 PRO HDx H 1 3.389 0.003 A 77 PRO HGy H 1 1.979 0.006 A 77 PRO HGx H 1 1.937 0.002 A 77 PRO CA C 13 63.884 0.028 A 77 PRO CB C 13 31.167 0.038 A 77 PRO CD C 13 50.032 0.028 A 77 PRO CG C 13 28.326 0.046 A 78 GLY H H 1 9.487 0.003 A 78 GLY HAy H 1 4.369 0.007 A 78 GLY HAx H 1 3.407 0.006 A 78 GLY CA C 13 44.966 0.041 A 78 GLY N N 15 113.317 0.032 A 79 GLU H H 1 8.254 0.004 A 79 GLU HA H 1 4.486 0.004 A 79 GLU HBy H 1 2.553 0.005 A 79 GLU HBx H 1 2.416 0.003 A 79 GLU HGy H 1 2.562 0.004 A 79 GLU HGx H 1 2.337 0.002 A 79 GLU CA C 13 57.610 0.053 A 79 GLU CB C 13 31.261 0.047 A 79 GLU CG C 13 38.679 0.033 A 79 GLU N N 15 120.804 0.029 A 80 THR H H 1 8.132 0.004 A 80 THR HA H 1 5.752 0.003 A 80 THR HB H 1 3.957 0.003 A 80 THR HG2% H 1 1.096 0.001 A 80 THR CA C 13 59.984 0.019 A 80 THR CB C 13 72.217 0.023 A 80 THR CG2 C 13 21.464 0.051 A 80 THR N N 15 110.916 0.049 A 81 VAL H H 1 8.459 0.004 A 81 VAL HA H 1 4.204 0.002 A 81 VAL HB H 1 1.081 0.004 A 81 VAL HGx% H 1 -0.411 0.005 A 81 VAL HGy% H 1 -0.446 0.006 A 81 VAL CA C 13 59.688 0.031 A 81 VAL CB C 13 35.482 0.033 A 81 VAL CGy C 13 20.212 0.024 A 81 VAL CGx C 13 18.397 0.021 A 81 VAL N N 15 117.320 0.034 A 82 LYS H H 1 8.017 0.006 A 82 LYS HA H 1 4.811 0.004 A 82 LYS HBy H 1 1.667 0.004 A 82 LYS HBx H 1 1.509 0.003 A 82 LYS HDy H 1 1.531 0.005 A 82 LYS HDx H 1 1.530 0.001 A 82 LYS HEy H 1 2.868 0.001 A 82 LYS HEx H 1 2.808 0.002 A 82 LYS HGy H 1 1.249 0.007 A 82 LYS HGx H 1 1.221 0.002 A 82 LYS CA C 13 54.855 0.057 A 82 LYS CB C 13 33.297 0.031 A 82 LYS CD C 13 29.130 0.025 A 82 LYS CE C 13 41.898 0.030 A 82 LYS CG C 13 24.529 0.033 A 82 LYS N N 15 123.511 0.037 A 83 ILE H H 1 8.039 0.004 A 83 ILE HA H 1 3.995 0.001 A 83 ILE HB H 1 1.478 0.002 A 83 ILE HD1% H 1 0.076 0.003 A 83 ILE HG1y H 1 0.839 0.005 A 83 ILE HG1x H 1 0.246 0.003 A 83 ILE HG2% H 1 0.703 0.003 A 83 ILE CA C 13 60.858 0.012 A 83 ILE CB C 13 38.347 0.022 A 83 ILE CD1 C 13 12.200 0.027 A 83 ILE CG1 C 13 26.765 0.030 A 83 ILE CG2 C 13 16.839 0.028 A 83 ILE N N 15 125.653 0.019 A 84 GLY HAy H 1 3.984 0.003 A 84 GLY HAx H 1 3.662 0.006 A 84 GLY CA C 13 47.357 0.043 A 85 CYS H H 1 8.522 0.004 A 85 CYS HA H 1 4.929 0.003 A 85 CYS HBy H 1 3.191 0.004 A 85 CYS HBx H 1 3.189 0.003 A 85 CYS CA C 13 58.558 0.053 A 85 CYS CB C 13 37.971 0.026 A 85 CYS N N 15 122.743 0.032 A 86 ASN H H 1 8.165 0.002 A 86 ASN HA H 1 4.923 0.004 A 86 ASN HBy H 1 2.724 0.005 A 86 ASN HBx H 1 2.451 0.007 A 86 ASN HD21 H 1 8.262 0.009 A 86 ASN HD22 H 1 7.901 0.003 A 86 ASN CA C 13 53.858 0.031 A 86 ASN CB C 13 41.629 0.060 A 86 ASN N N 15 121.768 0.035 A 86 ASN ND2 N 15 118.942 0.125 A 87 THR H H 1 8.250 0.009 A 87 THR HA H 1 4.613 0.006 A 87 THR HB H 1 3.936 0.006 A 87 THR HG2% H 1 1.094 0.004 A 87 THR CA C 13 62.341 0.034 A 87 THR CB C 13 70.460 0.034 A 87 THR CG2 C 13 21.606 0.062 A 87 THR N N 15 115.576 0.029 A 88 CYS H H 1 9.054 0.006 A 88 CYS HA H 1 5.544 0.005 A 88 CYS HBy H 1 2.732 0.005 A 88 CYS HBx H 1 2.595 0.007 A 88 CYS CA C 13 54.867 0.021 A 88 CYS CB C 13 50.459 0.022 A 88 CYS N N 15 124.212 0.015 A 89 VAL H H 1 8.888 0.004 A 89 VAL HA H 1 5.046 0.004 A 89 VAL HB H 1 1.971 0.004 A 89 VAL HGx% H 1 0.940 0.003 A 89 VAL HGy% H 1 0.923 0.004 A 89 VAL CA C 13 59.590 0.046 A 89 VAL CB C 13 35.195 0.039 A 89 VAL CGx C 13 20.202 0.030 A 89 VAL CGy C 13 21.444 0.036 A 89 VAL N N 15 122.162 0.021 A 90 CYS H H 1 8.382 0.004 A 90 CYS HA H 1 4.170 0.005 A 90 CYS HBy H 1 2.585 0.007 A 90 CYS HBx H 1 1.798 0.005 A 90 CYS CA C 13 54.727 0.036 A 90 CYS CB C 13 36.915 0.047 A 90 CYS N N 15 128.312 0.024 A 91 ARG H H 1 9.051 0.005 A 91 ARG HA H 1 4.309 0.004 A 91 ARG HBy H 1 1.654 0.007 A 91 ARG HBx H 1 1.650 0.000 A 91 ARG HDy H 1 3.170 0.004 A 91 ARG HDx H 1 3.115 0.005 A 91 ARG HGy H 1 1.538 0.004 A 91 ARG HGx H 1 1.470 0.003 A 91 ARG CA C 13 56.304 0.044 A 91 ARG CB C 13 32.883 0.037 A 91 ARG CD C 13 43.304 0.032 A 91 ARG CG C 13 27.026 0.013 A 91 ARG N N 15 132.067 0.024 A 92 ASP H H 1 9.328 0.004 A 92 ASP HA H 1 4.204 0.004 A 92 ASP HBy H 1 2.732 0.004 A 92 ASP HBx H 1 2.565 0.005 A 92 ASP CA C 13 55.745 0.049 A 92 ASP CB C 13 39.142 0.051 A 92 ASP N N 15 128.437 0.080 A 93 ARG H H 1 8.607 0.005 A 93 ARG HA H 1 3.274 0.004 A 93 ARG HBy H 1 2.065 0.005 A 93 ARG HBx H 1 1.915 0.003 A 93 ARG HDy H 1 3.146 0.005 A 93 ARG HDx H 1 2.981 0.004 A 93 ARG HGy H 1 1.443 0.005 A 93 ARG HGx H 1 1.385 0.003 A 93 ARG CA C 13 58.401 0.039 A 93 ARG CB C 13 28.561 0.028 A 93 ARG CD C 13 43.223 0.039 A 93 ARG CG C 13 28.766 0.051 A 93 ARG N N 15 108.225 0.023 A 94 LYS H H 1 7.712 0.005 A 94 LYS HA H 1 4.524 0.003 A 94 LYS HBy H 1 1.756 0.002 A 94 LYS HBx H 1 1.701 0.002 A 94 LYS HDy H 1 1.725 0.003 A 94 LYS HDx H 1 1.671 0.005 A 94 LYS HEx H 1 3.024 0.004 A 94 LYS HEy H 1 3.028 0.000 A 94 LYS HGy H 1 1.411 0.001 A 94 LYS HGx H 1 1.367 0.004 A 94 LYS CA C 13 53.875 0.023 A 94 LYS CB C 13 36.106 0.028 A 94 LYS CD C 13 29.110 0.036 A 94 LYS CE C 13 42.201 0.014 A 94 LYS CG C 13 24.041 0.029 A 94 LYS N N 15 121.587 0.023 A 95 TRP H H 1 8.366 0.005 A 95 TRP HA H 1 4.812 0.007 A 95 TRP HBy H 1 3.024 0.006 A 95 TRP HBx H 1 2.881 0.004 A 95 TRP HD1 H 1 7.353 0.003 A 95 TRP HE1 H 1 9.618 0.005 A 95 TRP HE3 H 1 6.723 0.007 A 95 TRP HH2 H 1 6.092 0.005 A 95 TRP HZ2 H 1 6.552 0.003 A 95 TRP HZ3 H 1 6.768 0.006 A 95 TRP CA C 13 55.886 0.078 A 95 TRP CB C 13 30.257 0.029 A 95 TRP CD1 C 13 127.360 0.038 A 95 TRP CE3 C 13 119.588 0.098 A 95 TRP CH2 C 13 123.627 0.154 A 95 TRP CZ2 C 13 113.591 0.063 A 95 TRP CZ3 C 13 123.071 0.139 A 95 TRP N N 15 120.035 0.025 A 95 TRP NE1 N 15 126.126 0.022 A 96 ASN H H 1 9.268 0.005 A 96 ASN HA H 1 5.068 0.003 A 96 ASN HBy H 1 2.917 0.006 A 96 ASN HBx H 1 2.776 0.003 A 96 ASN HD21 H 1 7.093 0.002 A 96 ASN HD22 H 1 6.919 0.002 A 96 ASN CA C 13 52.832 0.042 A 96 ASN CB C 13 39.532 0.038 A 96 ASN N N 15 125.356 0.023 A 96 ASN ND2 N 15 113.428 0.036 A 97 CYS HA H 1 5.712 0.005 A 97 CYS HBy H 1 3.016 0.005 A 97 CYS HBx H 1 2.977 0.003 A 97 CYS CA C 13 55.808 0.032 A 97 CYS CB C 13 47.903 0.015 A 98 THR H H 1 8.221 0.009 A 98 THR HA H 1 4.183 0.006 A 98 THR HB H 1 4.012 0.005 A 98 THR HG2% H 1 1.358 0.003 A 98 THR CA C 13 62.852 0.031 A 98 THR CB C 13 70.176 0.033 A 98 THR CG2 C 13 21.732 0.014 A 98 THR N N 15 112.700 0.021 A 99 ASP H H 1 8.038 0.009 A 99 ASP HA H 1 4.649 0.004 A 99 ASP HBy H 1 2.554 0.003 A 99 ASP HBx H 1 2.496 0.004 A 99 ASP CA C 13 52.707 0.062 A 99 ASP CB C 13 40.809 0.032 A 99 ASP N N 15 120.286 0.023 A 100 HIS H H 1 8.654 0.005 A 100 HIS HA H 1 4.655 0.005 A 100 HIS HBy H 1 3.041 0.007 A 100 HIS HBx H 1 2.938 0.003 A 100 HIS HD2 H 1 7.044 0.003 A 100 HIS HE1 H 1 7.854 0.007 A 100 HIS CA C 13 55.554 0.038 A 100 HIS CB C 13 30.875 0.053 A 100 HIS CD2 C 13 120.696 0.061 A 100 HIS CE1 C 13 138.890 0.032 A 100 HIS N N 15 120.257 0.165 A 101 VAL H H 1 8.687 0.003 A 101 VAL HA H 1 3.982 0.004 A 101 VAL HB H 1 2.008 0.001 A 101 VAL HGx% H 1 0.944 0.005 A 101 VAL HGy% H 1 0.999 0.008 A 101 VAL CA C 13 62.929 0.028 A 101 VAL CB C 13 31.843 0.010 A 101 VAL CGy C 13 21.349 0.039 A 101 VAL CGx C 13 21.206 0.021 A 101 VAL N N 15 123.478 0.073 A 102 CYS H H 1 8.700 0.007 A 102 CYS HA H 1 4.844 0.005 A 102 CYS HBy H 1 3.532 0.005 A 102 CYS HBx H 1 2.831 0.004 A 102 CYS CA C 13 52.964 0.026 A 102 CYS CB C 13 37.591 0.047 A 102 CYS N N 15 125.981 0.017 A 103 ASP H H 1 8.041 0.002 A 103 ASP HA H 1 4.345 0.002 A 103 ASP HBy H 1 2.618 0.002 A 103 ASP HBx H 1 2.534 0.002 A 103 ASP CA C 13 55.939 0.005 A 103 ASP CB C 13 42.176 0.020 A 103 ASP N N 15 127.664 0.030 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 53 MET HE% A 50 PRO HDx 1.0 1.8 6.9 2 1 A 53 MET HE% A 50 PRO HDy 1.0 1.8 6.9 3 2 A 53 MET HE% A 54 VAL H 1.0 1.8 5.9 4 3 A 53 MET HE% A 60 CYS HA 1.0 1.8 5.9 5 4 A 53 MET HE% A 61 VAL HA 1.0 1.8 5.9 6 5 A 53 MET HE% A 61 VAL H 1.0 1.8 5.9 7 6 A 53 MET HE% A 61 VAL HGy% 1.0 1.8 6.9 8 7 A 53 MET HE% A 61 VAL HGx% 1.0 1.8 6.9 9 8 A 53 MET HE% A 62 ALA HA 1.0 1.8 5.9 10 9 A 53 MET HE% A 62 ALA H 1.0 1.8 5.9 11 10 A 53 MET HE% A 62 ALA HB% 1.0 1.8 6.4 12 11 A 53 MET HE% A 63 LEU H 1.0 1.8 5.9 13 12 A 10 MET HE% A 60 CYS H 1.0 1.8 5.9 14 13 A 10 MET HE% A 47 CYS HA 1.0 1.8 7.3 15 14 A 10 MET HE% A 59 ARG HA 1.0 1.8 5.9 16 15 A 10 MET HE% A 55 ARG HDy 1.0 1.8 5.9 17 15 A 10 MET HE% A 55 ARG HDx 1.0 1.8 5.9 18 16 A 2 ALA HB% A 3 MET HA 1.0 1.8 6.5 19 17 A 2 ALA HA A 14 VAL HGx% 1.0 1.8 7.5 20 18 A 11 VAL HGy% A 50 PRO HDx 1.0 1.8 6.2 21 18 A 50 PRO HDy A 11 VAL HGy% 1.0 1.8 6.2 22 19 A 11 VAL HGx% A 50 PRO HDx 1.0 1.8 6.9 23 19 A 50 PRO HDy A 11 VAL HGx% 1.0 1.8 6.9 24 20 A 9 PRO HA A 10 MET H 1.0 1.8 4.5 25 21 A 10 MET H A 9 PRO HBy 1.0 1.8 6.5 26 21 A 10 MET H A 9 PRO HBx 1.0 1.8 6.5 27 22 A 10 MET H A 9 PRO HDy 1.0 1.8 5.5 28 22 A 10 MET H A 9 PRO HDx 1.0 1.8 5.5 29 23 A 9 PRO HDx A 10 MET HGy 1.0 1.8 7.5 30 23 A 9 PRO HDy A 10 MET HGy 1.0 1.8 7.5 31 23 A 10 MET HGx A 9 PRO HDy 1.0 1.8 7.5 32 23 A 9 PRO HDx A 10 MET HGx 1.0 1.8 7.5 33 24 A 11 VAL HGy% A 9 PRO HA 1.0 1.8 7.5 34 25 A 10 MET HA A 11 VAL H 1.0 1.8 3.7 35 26 A 11 VAL HGy% A 10 MET HA 1.0 1.8 5.2 36 27 A 11 VAL H A 10 MET HGy 1.0 1.8 6.5 37 27 A 10 MET HGx A 11 VAL H 1.0 1.8 6.5 38 28 A 11 VAL HGy% A 10 MET HGy 1.0 1.8 8.5 39 28 A 11 VAL HGy% A 10 MET HGx 1.0 1.8 8.5 40 29 A 11 VAL HA A 12 LYS H 1.0 1.8 3.7 41 30 A 11 VAL HA A 12 LYS HBy 1.0 1.8 5.0 42 30 A 11 VAL HA A 12 LYS HBx 1.0 1.8 5.0 43 31 A 11 VAL HA A 12 LYS HGy 1.0 1.8 6.4 44 31 A 11 VAL HA A 12 LYS HGx 1.0 1.8 6.4 45 32 A 12 LYS H A 11 VAL HB 1.0 1.8 4.7 46 33 A 11 VAL HGx% A 12 LYS H 1.0 1.8 5.2 47 34 A 11 VAL HGy% A 12 LYS H 1.0 1.8 5.2 48 35 A 47 CYS HA A 11 VAL HGx% 1.0 1.8 7.5 49 36 A 47 CYS HA A 11 VAL HGy% 1.0 1.8 6.0 50 37 A 11 VAL HB A 48 LEU HBy 1.0 1.8 5.0 51 37 A 11 VAL HB A 48 LEU HBx 1.0 1.8 5.0 52 38 A 11 VAL HB A 48 LEU H 1.0 1.8 5.5 53 39 A 11 VAL HGx% A 48 LEU H 1.0 1.8 6.0 54 40 A 11 VAL HGy% A 48 LEU H 1.0 1.8 5.2 55 41 A 11 VAL HGy% A 48 LEU HBy 1.0 1.8 6.2 56 41 A 11 VAL HGy% A 48 LEU HBx 1.0 1.8 6.2 57 42 A 11 VAL HGy% A 49 CYS HBy 1.0 1.8 7.0 58 42 A 11 VAL HGy% A 49 CYS HBx 1.0 1.8 7.0 59 43 A 12 LYS HA A 13 LEU HBy 1.0 1.8 6.5 60 43 A 12 LYS HA A 13 LEU HBx 1.0 1.8 6.5 61 44 A 12 LYS HA A 13 LEU H 1.0 1.8 3.2 62 45 A 13 LEU H A 12 LYS HBy 1.0 1.8 6.5 63 45 A 12 LYS HBx A 13 LEU H 1.0 1.8 6.5 64 46 A 13 LEU H A 12 LYS HGy 1.0 1.8 5.0 65 46 A 12 LYS HGx A 13 LEU H 1.0 1.8 5.0 66 47 A 13 LEU HA A 12 LYS HGy 1.0 1.8 6.5 67 47 A 12 LYS HGx A 13 LEU HA 1.0 1.8 6.5 68 48 A 14 VAL HGx% A 12 LYS HGy 1.0 1.8 6.9 69 48 A 14 VAL HGx% A 12 LYS HGx 1.0 1.8 6.9 70 49 A 47 CYS HA A 12 LYS HA 1.0 1.8 4.1 71 50 A 12 LYS HA A 47 CYS HBy 1.0 1.8 5.0 72 50 A 12 LYS HA A 47 CYS HBx 1.0 1.8 5.0 73 51 A 47 CYS HA A 12 LYS HBy 1.0 1.8 6.5 74 51 A 47 CYS HA A 12 LYS HBx 1.0 1.8 6.5 75 52 A 47 CYS HA A 12 LYS HGy 1.0 1.8 6.5 76 52 A 47 CYS HA A 12 LYS HGx 1.0 1.8 6.5 77 53 A 48 LEU H A 12 LYS HA 1.0 1.8 4.0 78 54 A 14 VAL HGx% A 12 LYS HA 1.0 2.5 5.9 79 55 A 12 LYS HA A 48 LEU HG 1.0 1.8 5.5 80 56 A 13 LEU HA A 14 VAL H 1.0 1.8 3.7 81 57 A 13 LEU HA A 14 VAL HB 1.0 1.8 5.5 82 58 A 14 VAL H A 13 LEU HDx% 1.0 1.8 5.2 83 59 A 13 LEU HDx% A 22 ALA HB% 1.0 1.8 6.4 84 60 A 13 LEU HG A 46 GLY HAy 1.0 1.8 5.1 85 60 A 13 LEU HG A 46 GLY HAx 1.0 1.8 5.1 86 61 A 13 LEU HDx% A 46 GLY HAy 1.0 1.8 6.2 87 61 A 13 LEU HDx% A 46 GLY HAx 1.0 1.8 6.2 88 62 A 13 LEU HDy% A 46 GLY HAy 1.0 1.8 6.2 89 62 A 46 GLY HAx A 13 LEU HDy% 1.0 1.8 6.2 90 63 A 13 LEU HDx% A 46 GLY H 1.0 1.8 5.2 91 64 A 47 CYS HA A 13 LEU H 1.0 1.8 4.5 92 65 A 14 VAL H A 13 LEU HBy 1.0 1.8 5.0 93 65 A 13 LEU HBx A 14 VAL H 1.0 1.8 5.0 94 66 A 13 LEU HG A 47 CYS H 1.0 1.8 4.5 95 67 A 13 LEU HDy% A 47 CYS H 1.0 1.8 5.2 96 68 A 48 LEU HG A 13 LEU HBy 1.0 1.8 5.0 97 68 A 13 LEU HBx A 48 LEU HG 1.0 1.8 5.0 98 69 A 14 VAL HA A 15 CYS HBy 1.0 1.8 6.5 99 69 A 14 VAL HA A 15 CYS HBx 1.0 1.8 6.5 100 70 A 14 VAL HA A 15 CYS H 1.0 1.8 3.2 101 71 A 14 VAL HGx% A 15 CYS H 1.0 1.8 5.2 102 72 A 14 VAL HA A 45 SER HA 1.0 1.8 4.0 103 73 A 14 VAL HA A 45 SER HBy 1.0 1.8 5.0 104 73 A 14 VAL HA A 45 SER HBx 1.0 1.8 5.0 105 74 A 14 VAL HGx% A 45 SER HA 1.0 1.8 5.9 106 75 A 14 VAL HGx% A 45 SER HBy 1.0 1.8 6.2 107 75 A 14 VAL HGx% A 45 SER HBx 1.0 1.8 6.2 108 76 A 46 GLY H A 14 VAL HA 1.0 1.8 4.0 109 77 A 15 CYS HA A 16 PRO HDy 1.0 1.8 4.2 110 77 A 15 CYS HA A 16 PRO HDx 1.0 1.8 4.2 111 78 A 15 CYS HBx A 16 PRO HDy 1.0 1.8 7.5 112 78 A 15 CYS HBy A 16 PRO HDy 1.0 1.8 7.5 113 78 A 16 PRO HDx A 15 CYS HBy 1.0 1.8 7.5 114 78 A 15 CYS HBx A 16 PRO HDx 1.0 1.8 7.5 115 79 A 22 ALA HB% A 15 CYS HBy 1.0 1.8 7.5 116 79 A 22 ALA HB% A 15 CYS HBx 1.0 1.8 7.5 117 80 A 15 CYS HBy A 43 CYS HBy 1.0 1.8 7.4 118 80 A 15 CYS HBx A 43 CYS HBy 1.0 1.8 7.4 119 80 A 43 CYS HBx A 15 CYS HBy 1.0 1.8 7.4 120 80 A 15 CYS HBx A 43 CYS HBx 1.0 1.8 7.4 121 81 A 45 SER HA A 15 CYS HBy 1.0 1.8 6.5 122 81 A 15 CYS HBx A 45 SER HA 1.0 1.8 6.5 123 82 A 18 ASP H A 16 PRO HBy 1.0 1.8 6.5 124 82 A 16 PRO HBx A 18 ASP H 1.0 1.8 6.5 125 83 A 16 PRO HBy A 19 ASN HBx 1.0 1.8 6.0 126 83 A 16 PRO HBx A 19 ASN HBx 1.0 1.8 6.0 127 83 A 19 ASN HBy A 16 PRO HBy 1.0 1.8 6.0 128 83 A 16 PRO HBx A 19 ASN HBy 1.0 1.8 6.0 129 84 A 16 PRO HGx A 19 ASN HBx 1.0 1.8 6.0 130 84 A 16 PRO HGy A 19 ASN HBx 1.0 1.8 6.0 131 84 A 19 ASN HBy A 16 PRO HGy 1.0 1.8 6.0 132 84 A 19 ASN HBy A 16 PRO HGx 1.0 1.8 6.0 133 85 A 16 PRO HA A 20 LEU HDy% 1.0 1.8 6.0 134 86 A 20 LEU HDy% A 16 PRO HBy 1.0 1.8 7.0 135 86 A 16 PRO HBx A 20 LEU HDy% 1.0 1.8 7.0 136 87 A 20 LEU HDx% A 16 PRO HBy 1.0 1.8 8.5 137 87 A 16 PRO HBx A 20 LEU HDx% 1.0 1.8 8.5 138 88 A 20 LEU HDx% A 16 PRO HGy 1.0 1.8 8.5 139 88 A 16 PRO HGx A 20 LEU HDx% 1.0 1.8 8.5 140 89 A 20 LEU HDy% A 16 PRO HGy 1.0 1.8 7.0 141 89 A 16 PRO HGx A 20 LEU HDy% 1.0 1.8 7.0 142 90 A 20 LEU HDy% A 16 PRO HDy 1.0 1.8 8.5 143 90 A 16 PRO HDx A 20 LEU HDy% 1.0 1.8 8.5 144 91 A 20 LEU HA A 16 PRO HDy 1.0 1.8 5.0 145 91 A 16 PRO HDx A 20 LEU HA 1.0 1.8 5.0 146 92 A 17 ALA HA A 18 ASP HA 1.0 1.8 4.5 147 93 A 18 ASP H A 17 ALA HA 1.0 1.8 4.0 148 94 A 17 ALA HB% A 18 ASP HBy 1.0 1.8 7.5 149 94 A 17 ALA HB% A 18 ASP HBx 1.0 1.8 7.5 150 95 A 20 LEU HDy% A 17 ALA HA 1.0 1.8 6.0 151 96 A 18 ASP HBx A 20 LEU HBy 1.0 1.8 7.5 152 96 A 18 ASP HBy A 20 LEU HBy 1.0 1.8 7.5 153 96 A 20 LEU HBx A 18 ASP HBy 1.0 1.8 7.5 154 96 A 18 ASP HBx A 20 LEU HBx 1.0 1.8 7.5 155 97 A 22 ALA HB% A 19 ASN HBx 1.0 1.7 6.0 156 97 A 22 ALA HB% A 19 ASN HBy 1.0 1.7 6.0 157 98 A 20 LEU HDy% A 21 ARG H 1.0 1.8 6.0 158 99 A 22 ALA HB% A 21 ARG H 1.0 1.8 6.5 159 100 A 21 ARG HA A 22 ALA H 1.0 1.8 4.0 160 101 A 22 ALA HA A 23 GLU HA 1.0 1.8 5.5 161 102 A 22 ALA HA A 23 GLU H 1.0 1.8 3.2 162 103 A 22 ALA HA A 23 GLU HGy 1.0 1.8 5.0 163 103 A 22 ALA HA A 23 GLU HGx 1.0 1.8 5.0 164 104 A 22 ALA HA A 23 GLU HBy 1.0 1.8 5.0 165 104 A 22 ALA HA A 23 GLU HBx 1.0 1.8 5.0 166 105 A 22 ALA HB% A 23 GLU HBy 1.0 1.8 6.0 167 105 A 22 ALA HB% A 23 GLU HBx 1.0 1.8 6.0 168 106 A 22 ALA HB% A 23 GLU H 1.0 1.8 4.2 169 107 A 22 ALA HB% A 43 CYS HBy 1.0 1.8 6.0 170 107 A 22 ALA HB% A 43 CYS HBx 1.0 1.8 6.0 171 108 A 28 THR HG2% A 29 LYS HA 1.0 1.8 6.5 172 109 A 28 THR HG2% A 29 LYS H 1.0 1.8 5.2 173 110 A 28 THR HB A 48 LEU HDy% 1.0 1.8 7.5 174 111 A 28 THR HB A 48 LEU HDx% 1.0 1.8 6.0 175 112 A 28 THR HG2% A 48 LEU HDy% 1.0 1.8 7.2 176 113 A 28 THR HG2% A 48 LEU HDx% 1.0 1.8 7.2 177 114 A 29 LYS HA A 30 THR H 1.0 1.8 3.7 178 115 A 30 THR H A 29 LYS HGy 1.0 1.8 6.5 179 115 A 30 THR H A 29 LYS HGx 1.0 1.8 6.5 180 116 A 29 LYS H A 32 GLN HGx 1.0 1.8 6.5 181 116 A 29 LYS H A 32 GLN HGy 1.0 1.8 6.5 182 117 A 29 LYS HA A 33 ASN HD22 1.0 1.8 7.5 183 117 A 29 LYS HA A 33 ASN HD21 1.0 1.8 7.5 184 118 A 29 LYS HA A 34 TYR HA 1.0 1.8 5.5 185 119 A 34 TYR HE% A 29 LYS HBy 1.0 1.8 6.5 186 119 A 29 LYS HBx A 34 TYR HE% 1.0 1.8 6.5 187 120 A 34 TYR HA A 29 LYS HBy 1.0 1.8 6.5 188 120 A 34 TYR HA A 29 LYS HBx 1.0 1.8 6.5 189 121 A 34 TYR HD% A 29 LYS HBy 1.0 1.8 7.4 190 121 A 29 LYS HBx A 34 TYR HD% 1.0 1.8 7.4 191 122 A 34 TYR HD% A 29 LYS HGy 1.0 1.8 8.9 192 122 A 29 LYS HGx A 34 TYR HD% 1.0 1.8 8.9 193 123 A 34 TYR HE% A 29 LYS HGy 1.0 1.8 7.5 194 123 A 29 LYS HGx A 34 TYR HE% 1.0 1.8 7.5 195 124 A 34 TYR HE% A 29 LYS HEx 1.0 1.8 6.0 196 124 A 34 TYR HE% A 29 LYS HEy 1.0 1.8 6.0 197 125 A 34 TYR HD% A 29 LYS HEx 1.0 1.8 8.9 198 125 A 34 TYR HD% A 29 LYS HEy 1.0 1.8 8.9 199 126 A 34 TYR HA A 29 LYS HEx 1.0 1.8 5.5 200 126 A 34 TYR HA A 29 LYS HEy 1.0 1.8 5.5 201 127 A 53 MET HA A 29 LYS HEx 1.0 1.8 5.0 202 127 A 29 LYS HEy A 53 MET HA 1.0 1.8 5.0 203 128 A 29 LYS H A 54 VAL HGx% 1.0 1.8 7.5 204 129 A 54 VAL HGx% A 29 LYS HGy 1.0 1.8 7.0 205 129 A 29 LYS HGx A 54 VAL HGx% 1.0 1.8 7.0 206 130 A 54 VAL HGx% A 29 LYS HEx 1.0 1.8 7.0 207 130 A 29 LYS HEy A 54 VAL HGx% 1.0 1.8 7.0 208 131 A 30 THR HA A 31 CYS HA 1.0 1.8 5.5 209 132 A 30 THR HA A 31 CYS H 1.0 1.8 3.2 210 133 A 30 THR HB A 31 CYS HBy 1.0 1.8 6.5 211 133 A 30 THR HB A 31 CYS HBx 1.0 1.8 6.5 212 134 A 31 CYS HA A 30 THR HB 1.0 1.8 5.5 213 135 A 31 CYS H A 30 THR HB 1.0 1.8 3.2 214 136 A 31 CYS HA A 30 THR HG2% 1.0 1.8 6.0 215 137 A 30 THR H A 32 GLN HGx 1.0 1.8 6.5 216 137 A 30 THR H A 32 GLN HGy 1.0 1.8 6.5 217 138 A 30 THR HG2% A 32 GLN HBy 1.0 1.8 8.5 218 138 A 30 THR HG2% A 32 GLN HBx 1.0 1.8 8.5 219 139 A 30 THR HG2% A 32 GLN H 1.0 1.8 7.5 220 140 A 30 THR HG2% A 32 GLN HGx 1.0 1.8 8.5 221 140 A 32 GLN HGy A 30 THR HG2% 1.0 1.8 8.5 222 141 A 30 THR HG2% A 33 ASN HD22 1.0 1.8 7.2 223 141 A 33 ASN HD21 A 30 THR HG2% 1.0 1.8 7.2 224 142 A 30 THR HG2% A 33 ASN H 1.0 1.8 6.0 225 143 A 30 THR H A 54 VAL HGx% 1.0 1.8 6.0 226 144 A 30 THR H A 54 VAL HB 1.0 1.8 5.5 227 145 A 30 THR HA A 54 VAL HGy% 1.0 1.8 6.0 228 146 A 54 VAL HGx% A 30 THR HA 1.0 1.8 6.0 229 147 A 30 THR HA A 54 VAL HA 1.0 1.8 5.5 230 148 A 30 THR HA A 54 VAL HB 1.0 1.8 3.2 231 149 A 30 THR HB A 54 VAL HB 1.0 1.8 5.5 232 150 A 30 THR HG2% A 54 VAL HA 1.0 1.8 7.4 233 151 A 30 THR HA A 55 ARG HDy 1.0 1.8 6.4 234 151 A 55 ARG HDx A 30 THR HA 1.0 1.8 6.4 235 152 A 30 THR HA A 55 ARG H 1.0 1.8 4.0 236 153 A 30 THR HA A 55 ARG HGy 1.0 1.8 6.5 237 153 A 30 THR HA A 55 ARG HGx 1.0 1.8 6.5 238 154 A 30 THR HG2% A 55 ARG HBy 1.0 1.8 6.2 239 154 A 30 THR HG2% A 55 ARG HBx 1.0 1.8 6.2 240 155 A 30 THR HG2% A 55 ARG HDy 1.0 1.8 6.2 241 155 A 55 ARG HDx A 30 THR HG2% 1.0 1.8 6.2 242 156 A 30 THR HG2% A 55 ARG HA 1.0 1.8 6.0 243 157 A 30 THR HG2% A 55 ARG HGy 1.0 1.8 6.2 244 157 A 30 THR HG2% A 55 ARG HGx 1.0 1.8 6.2 245 158 A 30 THR HG2% A 55 ARG H 1.0 1.8 5.2 246 159 A 31 CYS H A 32 GLN HGx 1.0 1.8 6.5 247 159 A 32 GLN HGy A 31 CYS H 1.0 1.8 6.5 248 160 A 34 TYR HD% A 31 CYS HA 1.0 1.8 6.4 249 161 A 31 CYS HA A 34 TYR HBy 1.0 1.8 5.0 250 161 A 31 CYS HA A 34 TYR HBx 1.0 1.8 5.0 251 162 A 54 VAL HGx% A 31 CYS H 1.0 1.8 7.4 252 163 A 31 CYS H A 54 VAL HGy% 1.0 1.8 5.9 253 164 A 31 CYS HA A 54 VAL HGy% 1.0 1.8 5.2 254 165 A 54 VAL HGx% A 31 CYS HA 1.0 1.8 5.2 255 166 A 54 VAL HGy% A 31 CYS HBy 1.0 1.8 8.5 256 166 A 31 CYS HBx A 54 VAL HGy% 1.0 1.8 8.5 257 167 A 31 CYS HA A 63 LEU HDx% 1.0 1.8 6.0 258 168 A 31 CYS HA A 63 LEU HDy% 1.0 1.8 7.5 259 169 A 31 CYS HBy A 66 CYS HBy 1.0 1.8 7.5 260 169 A 31 CYS HBx A 66 CYS HBy 1.0 1.8 7.5 261 169 A 66 CYS HBx A 31 CYS HBy 1.0 1.8 7.5 262 169 A 31 CYS HBx A 66 CYS HBx 1.0 1.8 7.5 263 170 A 69 PHE HZ A 31 CYS HBy 1.0 1.8 6.5 264 170 A 31 CYS HBx A 69 PHE HZ 1.0 1.8 6.5 265 171 A 33 ASN H A 32 GLN HA 1.0 1.8 5.5 266 172 A 33 ASN H A 32 GLN HBy 1.0 1.8 5.0 267 172 A 32 GLN HBx A 33 ASN H 1.0 1.8 5.0 268 173 A 33 ASN HA A 32 GLN HGx 1.0 1.8 4.2 269 173 A 32 GLN HGy A 33 ASN HA 1.0 1.8 4.2 270 174 A 33 ASN H A 32 GLN HGx 1.0 1.8 5.0 271 174 A 32 GLN HGy A 33 ASN H 1.0 1.8 5.0 272 175 A 34 TYR HD% A 32 GLN HGx 1.0 1.8 8.9 273 175 A 32 GLN HGy A 34 TYR HD% 1.0 1.8 8.9 274 176 A 69 PHE HZ A 32 GLN HA 1.0 1.8 5.5 275 177 A 69 PHE HE% A 32 GLN HGx 1.0 1.8 7.5 276 177 A 32 GLN HGy A 69 PHE HE% 1.0 1.8 7.5 277 178 A 69 PHE HZ A 32 GLN HGx 1.0 1.8 6.5 278 178 A 32 GLN HGy A 69 PHE HZ 1.0 1.8 6.5 279 179 A 33 ASN HA A 36 LEU HA 1.0 1.8 4.0 280 180 A 33 ASN HA A 36 LEU HBy 1.0 1.8 6.5 281 180 A 33 ASN HA A 36 LEU HBx 1.0 1.8 6.5 282 181 A 33 ASN HA A 36 LEU HDx% 1.0 1.8 5.2 283 182 A 36 LEU HDx% A 33 ASN HBy 1.0 1.8 7.0 284 182 A 36 LEU HDx% A 33 ASN HBx 1.0 1.8 7.0 285 183 A 33 ASN HBy A 36 LEU HBy 1.0 1.8 7.5 286 183 A 33 ASN HBx A 36 LEU HBy 1.0 1.8 7.5 287 183 A 36 LEU HBx A 33 ASN HBy 1.0 1.8 7.5 288 183 A 36 LEU HBx A 33 ASN HBx 1.0 1.8 7.5 289 184 A 36 LEU HDx% A 33 ASN HD22 1.0 1.8 8.0 290 184 A 33 ASN HD21 A 36 LEU HDx% 1.0 1.8 8.0 291 185 A 33 ASN HA A 37 GLU HA 1.0 1.8 5.1 292 186 A 35 ASP H A 34 TYR HBy 1.0 1.8 6.5 293 186 A 34 TYR HBx A 35 ASP H 1.0 1.8 6.5 294 187 A 34 TYR HD% A 35 ASP H 1.0 1.8 7.9 295 188 A 34 TYR HE% A 35 ASP HA 1.0 1.8 6.5 296 189 A 54 VAL HGx% A 34 TYR H 1.0 1.8 7.5 297 190 A 34 TYR HA A 54 VAL HGx% 1.0 1.8 6.0 298 191 A 54 VAL HGy% A 34 TYR HBy 1.0 1.8 8.5 299 191 A 54 VAL HGy% A 34 TYR HBx 1.0 1.8 8.5 300 192 A 54 VAL HGx% A 34 TYR HBy 1.0 1.8 8.5 301 192 A 54 VAL HGx% A 34 TYR HBx 1.0 1.8 8.5 302 193 A 34 TYR HD% A 54 VAL HGx% 1.0 1.8 7.6 303 194 A 34 TYR HD% A 54 VAL HGy% 1.0 1.8 9.9 304 195 A 34 TYR HE% A 54 VAL HGy% 1.0 1.8 8.5 305 196 A 34 TYR HE% A 54 VAL HGx% 1.0 1.8 6.2 306 197 A 34 TYR HD% A 63 LEU HDy% 1.0 1.8 8.4 307 198 A 34 TYR HD% A 63 LEU HDx% 1.0 1.8 8.4 308 199 A 34 TYR HE% A 63 LEU HDy% 1.0 1.8 6.2 309 200 A 34 TYR HE% A 63 LEU HDx% 1.0 1.8 6.2 310 201 A 35 ASP HA A 36 LEU H 1.0 1.8 3.2 311 202 A 36 LEU H A 35 ASP HBy 1.0 1.8 5.0 312 202 A 36 LEU H A 35 ASP HBx 1.0 1.8 5.0 313 203 A 36 LEU HDy% A 35 ASP HBy 1.0 1.8 8.5 314 203 A 35 ASP HBx A 36 LEU HDy% 1.0 1.8 8.5 315 204 A 36 LEU HA A 37 GLU H 1.0 1.8 3.2 316 205 A 37 GLU HA A 36 LEU HDy% 1.0 1.8 7.5 317 206 A 36 LEU HDy% A 37 GLU H 1.0 1.8 5.2 318 207 A 39 MET HA A 40 SER H 1.0 1.8 3.2 319 208 A 43 CYS H A 42 GLY HAy 1.0 1.8 5.0 320 208 A 42 GLY HAx A 43 CYS H 1.0 1.8 5.0 321 209 A 43 CYS HA A 44 VAL HA 1.0 1.8 4.5 322 210 A 44 VAL HA A 45 SER H 1.0 1.8 3.2 323 211 A 44 VAL HA A 45 SER HBy 1.0 1.8 5.0 324 211 A 45 SER HBx A 44 VAL HA 1.0 1.8 5.0 325 212 A 45 SER H A 44 VAL HGx% 1.0 1.8 5.2 326 213 A 44 VAL HGx% A 45 SER HBy 1.0 1.8 8.5 327 213 A 45 SER HBx A 44 VAL HGx% 1.0 1.8 8.5 328 214 A 46 GLY H A 45 SER HA 1.0 1.8 3.2 329 215 A 45 SER HA A 46 GLY HAy 1.0 1.8 6.5 330 215 A 46 GLY HAx A 45 SER HA 1.0 1.8 6.5 331 216 A 47 CYS H A 46 GLY HAy 1.0 1.8 5.0 332 216 A 46 GLY HAx A 47 CYS H 1.0 1.8 5.0 333 217 A 47 CYS HA A 48 LEU HDx% 1.0 1.8 6.0 334 218 A 47 CYS HA A 48 LEU HDy% 1.0 1.8 6.0 335 219 A 47 CYS HA A 48 LEU HBy 1.0 1.8 6.5 336 219 A 47 CYS HA A 48 LEU HBx 1.0 1.8 6.5 337 220 A 47 CYS HA A 48 LEU H 1.0 1.8 3.2 338 221 A 48 LEU H A 47 CYS HBy 1.0 1.8 6.4 339 221 A 48 LEU H A 47 CYS HBx 1.0 1.8 6.4 340 222 A 49 CYS H A 48 LEU HBy 1.0 1.8 6.5 341 222 A 48 LEU HBx A 49 CYS H 1.0 1.8 6.5 342 223 A 13 LEU H A 48 LEU HDy% 1.0 1.8 5.2 343 223 A 48 LEU HDy% A 49 CYS H 1.0 1.8 5.2 344 224 A 53 MET H A 52 GLY HAy 1.0 1.8 5.0 345 224 A 52 GLY HAx A 53 MET H 1.0 1.8 5.0 346 225 A 54 VAL HGx% A 53 MET H 1.0 1.8 7.5 347 226 A 54 VAL HGy% A 53 MET H 1.0 1.8 7.5 348 227 A 54 VAL H A 53 MET HA 1.0 1.8 3.2 349 228 A 53 MET HA A 54 VAL HGy% 1.0 1.8 6.0 350 229 A 53 MET HA A 54 VAL HGx% 1.0 1.8 7.4 351 230 A 53 MET HA A 54 VAL HA 1.0 1.8 5.5 352 231 A 54 VAL H A 53 MET HBy 1.0 1.8 6.5 353 231 A 54 VAL H A 53 MET HBx 1.0 1.8 6.5 354 232 A 54 VAL HGx% A 53 MET HGy 1.0 1.8 8.5 355 232 A 54 VAL HGx% A 53 MET HGx 1.0 1.8 8.5 356 233 A 54 VAL H A 53 MET HGy 1.0 1.8 6.5 357 233 A 54 VAL H A 53 MET HGx 1.0 1.8 6.5 358 234 A 54 VAL HGy% A 53 MET HGy 1.0 1.8 8.5 359 234 A 54 VAL HGy% A 53 MET HGx 1.0 1.8 8.5 360 235 A 53 MET HA A 60 CYS HBy 1.0 1.8 5.0 361 235 A 53 MET HA A 60 CYS HBx 1.0 1.8 5.0 362 236 A 53 MET HBx A 60 CYS HBy 1.0 1.8 6.0 363 236 A 53 MET HBy A 60 CYS HBy 1.0 1.8 6.0 364 236 A 60 CYS HBx A 53 MET HBy 1.0 1.8 6.0 365 236 A 53 MET HBx A 60 CYS HBx 1.0 1.8 6.0 366 237 A 62 ALA HA A 53 MET HA 1.0 1.8 3.2 367 238 A 62 ALA HB% A 53 MET HA 1.0 1.8 5.0 368 239 A 62 ALA HA A 53 MET HBy 1.0 1.8 6.5 369 239 A 62 ALA HA A 53 MET HBx 1.0 1.8 6.5 370 240 A 62 ALA HB% A 53 MET HGy 1.0 1.8 6.0 371 240 A 62 ALA HB% A 53 MET HGx 1.0 1.8 6.0 372 241 A 62 ALA HA A 53 MET HGy 1.0 1.8 5.0 373 241 A 62 ALA HA A 53 MET HGx 1.0 1.8 5.0 374 242 A 53 MET HA A 63 LEU HDx% 1.0 1.8 7.5 375 243 A 53 MET HA A 63 LEU HA 1.0 1.8 5.5 376 244 A 63 LEU H A 53 MET HA 1.0 1.8 4.0 377 245 A 63 LEU H A 53 MET HGy 1.0 1.8 6.5 378 245 A 63 LEU H A 53 MET HGx 1.0 1.8 6.5 379 246 A 61 VAL H A 53 MET HBy 1.0 1.8 6.5 380 246 A 61 VAL H A 53 MET HBx 1.0 1.8 6.5 381 247 A 54 VAL HA A 55 ARG H 1.0 1.8 3.2 382 248 A 54 VAL HB A 55 ARG H 1.0 1.8 3.9 383 249 A 54 VAL HGx% A 55 ARG H 1.0 1.8 5.9 384 250 A 54 VAL HGy% A 55 ARG H 1.0 1.8 5.2 385 251 A 61 VAL H A 54 VAL HGx% 1.0 1.8 7.5 386 252 A 61 VAL HGx% A 54 VAL HGy% 1.0 1.8 7.2 387 253 A 54 VAL HGy% A 61 VAL HB 1.0 1.8 5.9 388 254 A 61 VAL H A 54 VAL HGy% 1.0 1.8 6.0 389 255 A 54 VAL HB A 63 LEU HDx% 1.0 1.8 7.5 390 256 A 54 VAL HGy% A 63 LEU HDy% 1.0 1.8 7.2 391 257 A 54 VAL HGx% A 63 LEU HBy 1.0 1.8 7.0 392 257 A 54 VAL HGx% A 63 LEU HBx 1.0 1.8 7.0 393 258 A 63 LEU H A 54 VAL HGx% 1.0 1.8 6.0 394 259 A 54 VAL HGx% A 63 LEU HA 1.0 1.8 5.2 395 260 A 54 VAL HGy% A 63 LEU HBy 1.0 1.8 6.9 396 260 A 54 VAL HGy% A 63 LEU HBx 1.0 1.8 6.9 397 261 A 63 LEU H A 54 VAL HGy% 1.0 1.8 6.0 398 262 A 54 VAL HGx% A 63 LEU HDx% 1.0 1.8 7.2 399 263 A 54 VAL HGy% A 63 LEU HDx% 1.0 1.8 7.2 400 264 A 54 VAL HGy% A 63 LEU HA 1.0 1.8 5.2 401 265 A 54 VAL HGx% A 63 LEU HG 1.0 1.8 7.3 402 266 A 54 VAL HGx% A 63 LEU HDy% 1.0 1.8 7.2 403 267 A 54 VAL HGx% A 65 ARG H 1.0 1.8 7.5 404 268 A 54 VAL HGy% A 65 ARG H 1.0 1.8 7.5 405 269 A 54 VAL HGx% A 66 CYS HA 1.0 1.8 7.5 406 270 A 54 VAL HGy% A 66 CYS HBy 1.0 1.8 7.0 407 270 A 54 VAL HGy% A 66 CYS HBx 1.0 1.8 7.0 408 271 A 54 VAL HGy% A 66 CYS H 1.0 1.8 7.5 409 272 A 54 VAL HB A 63 LEU HDy% 1.0 1.8 7.5 410 273 A 55 ARG HA A 56 HIS H 1.0 1.8 3.2 411 274 A 55 ARG HA A 56 HIS HBy 1.0 1.8 6.5 412 274 A 55 ARG HA A 56 HIS HBx 1.0 1.8 6.5 413 275 A 56 HIS H A 55 ARG HGy 1.0 1.8 5.0 414 275 A 55 ARG HGx A 56 HIS H 1.0 1.8 5.0 415 276 A 56 HIS H A 55 ARG HDy 1.0 1.8 6.9 416 276 A 55 ARG HDx A 56 HIS H 1.0 1.8 6.9 417 277 A 55 ARG HA A 59 ARG H 1.0 1.8 5.5 418 278 A 60 CYS HA A 55 ARG HA 1.0 1.8 3.2 419 279 A 60 CYS HA A 55 ARG HBy 1.0 1.8 6.5 420 279 A 60 CYS HA A 55 ARG HBx 1.0 1.8 6.5 421 280 A 60 CYS HA A 55 ARG HGy 1.0 1.8 6.5 422 280 A 60 CYS HA A 55 ARG HGx 1.0 1.8 6.5 423 281 A 61 VAL H A 55 ARG HA 1.0 1.8 4.0 424 282 A 61 VAL HGx% A 55 ARG HA 1.0 1.8 7.5 425 283 A 61 VAL HGy% A 55 ARG HA 1.0 1.8 7.5 426 284 A 56 HIS HA A 57 GLU H 1.0 1.8 4.0 427 285 A 56 HIS HBx A 57 GLU HBy 1.0 1.8 7.5 428 285 A 56 HIS HBy A 57 GLU HBy 1.0 1.8 7.5 429 285 A 57 GLU HBx A 56 HIS HBy 1.0 1.8 7.5 430 285 A 56 HIS HBx A 57 GLU HBx 1.0 1.8 7.5 431 286 A 56 HIS HD2 A 57 GLU HGy 1.0 1.8 6.5 432 286 A 56 HIS HD2 A 57 GLU HGx 1.0 1.8 6.5 433 287 A 56 HIS HD2 A 57 GLU HBy 1.0 1.8 6.5 434 287 A 57 GLU HBx A 56 HIS HD2 1.0 1.8 6.5 435 288 A 56 HIS HE1 A 57 GLU HBy 1.0 1.8 6.5 436 288 A 57 GLU HBx A 56 HIS HE1 1.0 1.8 6.5 437 289 A 56 HIS HBx A 59 ARG HGy 1.0 1.8 7.5 438 289 A 58 ASN HBx A 59 ARG HGy 1.0 1.8 7.5 439 289 A 56 HIS HBx A 59 ARG HGx 1.0 1.8 7.5 440 289 A 56 HIS HBy A 59 ARG HGy 1.0 1.8 7.5 441 289 A 58 ASN HBy A 59 ARG HGy 1.0 1.8 7.5 442 289 A 59 ARG HGx A 58 ASN HBx 1.0 1.8 7.5 443 289 A 59 ARG HGx A 56 HIS HBy 1.0 1.8 7.5 444 289 A 59 ARG HGx A 58 ASN HBy 1.0 1.8 7.5 445 290 A 56 HIS HD2 A 59 ARG HDx 1.0 1.8 6.5 446 290 A 56 HIS HD2 A 59 ARG HDy 1.0 1.8 6.5 447 291 A 56 HIS HE1 A 59 ARG HDx 1.0 1.8 5.0 448 291 A 56 HIS HE1 A 59 ARG HDy 1.0 1.8 5.0 449 292 A 56 HIS H A 60 CYS HBy 1.0 1.8 6.5 450 292 A 60 CYS HBx A 56 HIS H 1.0 1.8 6.5 451 293 A 60 CYS HA A 56 HIS H 1.0 1.8 4.0 452 294 A 61 VAL HGx% A 56 HIS H 1.0 1.8 5.2 453 295 A 61 VAL HGy% A 56 HIS H 1.0 1.8 5.2 454 296 A 61 VAL HGy% A 56 HIS HA 1.0 1.8 7.4 455 297 A 61 VAL HGy% A 56 HIS HBy 1.0 1.8 6.2 456 297 A 61 VAL HGy% A 56 HIS HBx 1.0 1.8 6.2 457 298 A 61 VAL HGx% A 56 HIS HBy 1.0 1.8 7.0 458 298 A 61 VAL HGx% A 56 HIS HBx 1.0 1.8 7.0 459 299 A 61 VAL HGx% A 56 HIS HD2 1.0 1.8 6.0 460 300 A 61 VAL HGy% A 56 HIS HD2 1.0 1.8 6.0 461 301 A 56 HIS HE1 A 67 PRO HGy 1.0 1.8 6.5 462 301 A 56 HIS HE1 A 67 PRO HGx 1.0 1.8 6.5 463 302 A 69 PHE HZ A 56 HIS HE1 1.0 1.8 5.5 464 303 A 69 PHE HE% A 56 HIS HE1 1.0 1.8 5.5 465 304 A 57 GLU HA A 58 ASN HBy 1.0 1.8 6.5 466 304 A 58 ASN HBx A 57 GLU HA 1.0 1.8 6.5 467 305 A 57 GLU HA A 58 ASN HA 1.0 1.8 5.5 468 306 A 57 GLU HA A 58 ASN H 1.0 1.8 5.5 469 307 A 58 ASN H A 57 GLU HBy 1.0 1.8 6.5 470 307 A 57 GLU HBx A 58 ASN H 1.0 1.8 6.5 471 308 A 57 GLU HBx A 58 ASN HBy 1.0 1.8 6.0 472 308 A 57 GLU HBy A 58 ASN HBy 1.0 1.8 6.0 473 308 A 58 ASN HBx A 57 GLU HBy 1.0 1.8 6.0 474 308 A 57 GLU HBx A 58 ASN HBx 1.0 1.8 6.0 475 309 A 57 GLU HGx A 58 ASN HBy 1.0 1.8 7.5 476 309 A 57 GLU HGy A 58 ASN HBy 1.0 1.8 7.5 477 309 A 58 ASN HBx A 57 GLU HGy 1.0 1.8 7.5 478 309 A 57 GLU HGx A 58 ASN HBx 1.0 1.8 7.5 479 310 A 59 ARG H A 57 GLU HA 1.0 1.8 5.5 480 311 A 57 GLU HBy A 59 ARG HDx 1.0 1.8 7.5 481 311 A 57 GLU HBx A 59 ARG HDx 1.0 1.8 7.5 482 311 A 59 ARG HDy A 57 GLU HBy 1.0 1.8 7.5 483 311 A 57 GLU HBx A 59 ARG HDy 1.0 1.8 7.5 484 312 A 59 ARG H A 57 GLU HBy 1.0 1.8 6.5 485 312 A 59 ARG H A 57 GLU HBx 1.0 1.8 6.5 486 313 A 59 ARG H A 58 ASN HA 1.0 1.8 4.0 487 314 A 60 CYS HA A 59 ARG HA 1.0 1.8 5.5 488 315 A 60 CYS H A 59 ARG HBy 1.0 1.8 5.0 489 315 A 60 CYS H A 59 ARG HBx 1.0 1.8 5.0 490 316 A 60 CYS H A 59 ARG HGy 1.0 1.8 6.5 491 316 A 60 CYS H A 59 ARG HGx 1.0 1.8 6.5 492 317 A 60 CYS H A 59 ARG HDx 1.0 1.8 6.9 493 317 A 60 CYS H A 59 ARG HDy 1.0 1.8 6.9 494 318 A 61 VAL HGy% A 59 ARG HBy 1.0 1.8 8.5 495 318 A 61 VAL HGy% A 59 ARG HBx 1.0 1.8 8.5 496 319 A 61 VAL HGy% A 59 ARG HDx 1.0 1.8 8.4 497 319 A 61 VAL HGy% A 59 ARG HDy 1.0 1.8 8.4 498 320 A 60 CYS HA A 61 VAL HA 1.0 1.8 5.5 499 321 A 60 CYS HA A 61 VAL H 1.0 1.8 3.2 500 322 A 60 CYS HA A 61 VAL HGx% 1.0 1.8 6.0 501 323 A 60 CYS HA A 61 VAL HGy% 1.0 1.8 5.2 502 324 A 61 VAL H A 60 CYS HBy 1.0 1.8 6.5 503 324 A 61 VAL H A 60 CYS HBx 1.0 1.8 6.5 504 325 A 61 VAL HA A 62 ALA HB% 1.0 1.8 4.9 505 326 A 61 VAL HA A 62 ALA H 1.0 1.8 3.2 506 327 A 62 ALA HA A 61 VAL HB 1.0 1.8 5.5 507 328 A 62 ALA HB% A 61 VAL HB 1.0 1.8 5.0 508 329 A 62 ALA H A 61 VAL HB 1.0 1.8 3.2 509 330 A 61 VAL HGx% A 62 ALA H 1.0 1.8 5.9 510 331 A 61 VAL HGy% A 62 ALA H 1.0 1.8 5.2 511 332 A 61 VAL HB A 65 ARG HGy 1.0 1.8 6.4 512 332 A 61 VAL HB A 65 ARG HGx 1.0 1.8 6.4 513 333 A 61 VAL HB A 65 ARG HA 1.0 1.8 5.5 514 334 A 61 VAL HB A 65 ARG HDy 1.0 1.8 6.4 515 334 A 61 VAL HB A 65 ARG HDx 1.0 1.8 6.4 516 335 A 61 VAL HB A 65 ARG H 1.0 1.8 5.5 517 336 A 61 VAL HGx% A 65 ARG HBy 1.0 1.8 8.4 518 336 A 61 VAL HGx% A 65 ARG HBx 1.0 1.8 8.4 519 337 A 61 VAL HGy% A 65 ARG HBy 1.0 1.8 7.0 520 337 A 61 VAL HGy% A 65 ARG HBx 1.0 1.8 7.0 521 338 A 61 VAL HGy% A 65 ARG HDy 1.0 1.8 6.2 522 338 A 61 VAL HGy% A 65 ARG HDx 1.0 1.8 6.2 523 339 A 61 VAL HGx% A 65 ARG HDy 1.0 1.8 6.2 524 339 A 61 VAL HGx% A 65 ARG HDx 1.0 1.8 6.2 525 340 A 61 VAL HGy% A 65 ARG H 1.0 1.8 6.0 526 341 A 61 VAL HGy% A 66 CYS H 1.0 1.8 6.0 527 342 A 61 VAL HGy% A 67 PRO HDy 1.0 1.8 8.5 528 342 A 61 VAL HGy% A 67 PRO HDx 1.0 1.8 8.5 529 343 A 61 VAL HGx% A 65 ARG H 1.0 1.5 7.5 530 344 A 61 VAL HGx% A 66 CYS H 1.0 1.5 7.5 531 345 A 61 VAL HGy% A 63 LEU H 1.0 1.5 7.5 532 346 A 61 VAL HGy% A 62 ALA HA 1.0 1.8 6.1 533 347 A 61 VAL HGy% A 62 ALA HB% 1.0 1.8 6.1 534 348 A 61 VAL HGy% A 63 LEU HA 1.0 1.8 6.1 535 349 A 62 ALA HB% A 63 LEU H 1.0 1.8 4.2 536 350 A 62 ALA HB% A 64 GLU HGx 1.0 1.8 5.2 537 350 A 62 ALA HB% A 64 GLU HGy 1.0 1.8 5.2 538 351 A 62 ALA HB% A 64 GLU H 1.0 1.8 4.2 539 352 A 62 ALA H A 65 ARG HGy 1.0 1.8 5.0 540 352 A 62 ALA H A 65 ARG HGx 1.0 1.8 5.0 541 353 A 62 ALA H A 65 ARG HDy 1.0 1.8 4.9 542 353 A 62 ALA H A 65 ARG HDx 1.0 1.8 4.9 543 354 A 62 ALA HB% A 65 ARG HDy 1.0 1.8 5.2 544 354 A 62 ALA HB% A 65 ARG HDx 1.0 1.8 5.2 545 355 A 62 ALA HB% A 65 ARG H 1.0 1.8 4.9 546 356 A 63 LEU HA A 64 GLU H 1.0 1.8 4.0 547 357 A 64 GLU H A 63 LEU HBy 1.0 1.8 5.0 548 357 A 63 LEU HBx A 64 GLU H 1.0 1.8 5.0 549 358 A 63 LEU HDy% A 64 GLU H 1.0 1.8 6.0 550 359 A 63 LEU HA A 66 CYS H 1.0 1.8 4.0 551 360 A 63 LEU HG A 93 ARG HDy 1.0 1.8 6.5 552 360 A 63 LEU HG A 93 ARG HDx 1.0 1.8 6.5 553 361 A 63 LEU HDx% A 93 ARG HDy 1.0 1.8 7.0 554 361 A 63 LEU HDx% A 93 ARG HDx 1.0 1.8 7.0 555 362 A 63 LEU HDy% A 93 ARG HGy 1.0 1.8 8.5 556 362 A 63 LEU HDy% A 93 ARG HGx 1.0 1.8 8.5 557 363 A 63 LEU HDy% A 93 ARG HDy 1.0 1.8 8.5 558 363 A 63 LEU HDy% A 93 ARG HDx 1.0 1.8 8.5 559 364 A 63 LEU HDx% A 93 ARG HGy 1.0 1.8 8.5 560 364 A 63 LEU HDx% A 93 ARG HGx 1.0 1.8 8.5 561 365 A 63 LEU HDx% A 64 GLU H 1.0 1.8 7.1 562 366 A 63 LEU HDx% A 64 GLU HGx 1.0 1.8 8.5 563 366 A 63 LEU HDx% A 64 GLU HGy 1.0 1.8 8.5 564 367 A 63 LEU HDy% A 64 GLU HGx 1.0 1.8 8.5 565 367 A 63 LEU HDy% A 64 GLU HGy 1.0 1.8 8.5 566 368 A 65 ARG H A 64 GLU HA 1.0 1.8 3.7 567 369 A 65 ARG H A 64 GLU HGx 1.0 1.8 4.2 568 369 A 65 ARG H A 64 GLU HGy 1.0 1.8 4.2 569 370 A 64 GLU HGy A 65 ARG HDy 1.0 1.8 5.2 570 370 A 65 ARG HDx A 64 GLU HGx 1.0 1.8 5.2 571 370 A 65 ARG HDx A 64 GLU HGy 1.0 1.8 5.2 572 370 A 64 GLU HGx A 65 ARG HDy 1.0 1.8 5.2 573 371 A 66 CYS H A 64 GLU HA 1.0 1.8 4.0 574 372 A 66 CYS H A 65 ARG HDy 1.0 1.8 5.5 575 372 A 66 CYS H A 65 ARG HDx 1.0 1.8 5.5 576 373 A 66 CYS H A 67 PRO HDy 1.0 1.8 6.5 577 373 A 66 CYS H A 67 PRO HDx 1.0 1.8 6.5 578 374 A 66 CYS HA A 67 PRO HGy 1.0 1.8 5.0 579 374 A 66 CYS HA A 67 PRO HGx 1.0 1.8 5.0 580 375 A 66 CYS HA A 67 PRO HDy 1.0 1.8 4.2 581 375 A 66 CYS HA A 67 PRO HDx 1.0 1.8 4.2 582 376 A 66 CYS HBy A 67 PRO HDy 1.0 1.8 7.5 583 376 A 66 CYS HBx A 67 PRO HDy 1.0 1.8 7.5 584 376 A 67 PRO HDx A 66 CYS HBy 1.0 1.8 7.5 585 376 A 66 CYS HBx A 67 PRO HDx 1.0 1.8 7.5 586 377 A 66 CYS H A 93 ARG HDy 1.0 1.8 6.5 587 377 A 66 CYS H A 93 ARG HDx 1.0 1.8 6.5 588 378 A 66 CYS HBy A 93 ARG HDy 1.0 1.8 6.0 589 378 A 66 CYS HBx A 93 ARG HDy 1.0 1.8 6.0 590 378 A 93 ARG HDx A 66 CYS HBy 1.0 1.8 6.0 591 378 A 66 CYS HBx A 93 ARG HDx 1.0 1.8 6.0 592 379 A 93 ARG HA A 66 CYS HBy 1.0 1.8 5.0 593 379 A 66 CYS HBx A 93 ARG HA 1.0 1.8 5.0 594 380 A 66 CYS HBx A 93 ARG HGy 1.0 1.8 6.0 595 380 A 66 CYS HBy A 93 ARG HGy 1.0 1.8 6.0 596 380 A 93 ARG HGx A 66 CYS HBy 1.0 1.8 6.0 597 380 A 66 CYS HBx A 93 ARG HGx 1.0 1.8 6.0 598 381 A 67 PRO HA A 68 CYS H 1.0 1.8 3.2 599 382 A 68 CYS H A 67 PRO HBy 1.0 1.8 4.2 600 382 A 68 CYS H A 67 PRO HBx 1.0 1.8 4.2 601 383 A 69 PHE HE% A 67 PRO HGy 1.0 1.8 7.5 602 383 A 69 PHE HE% A 67 PRO HGx 1.0 1.8 7.5 603 384 A 69 PHE HZ A 67 PRO HGy 1.0 1.8 6.5 604 384 A 69 PHE HZ A 67 PRO HGx 1.0 1.8 6.5 605 385 A 75 TYR H A 67 PRO HBy 1.0 1.8 5.0 606 385 A 67 PRO HBx A 75 TYR H 1.0 1.8 5.0 607 386 A 67 PRO HA A 76 ALA HB% 1.0 1.8 5.0 608 387 A 76 ALA HA A 67 PRO HBy 1.0 1.8 6.5 609 387 A 67 PRO HBx A 76 ALA HA 1.0 1.8 6.5 610 388 A 67 PRO HA A 77 PRO HDy 1.0 1.8 5.0 611 388 A 67 PRO HA A 77 PRO HDx 1.0 1.8 5.0 612 389 A 68 CYS HA A 69 PHE HD% 1.0 1.8 6.4 613 390 A 69 PHE HE% A 68 CYS HA 1.0 1.8 5.0 614 391 A 68 CYS HA A 69 PHE H 1.0 1.8 3.2 615 392 A 69 PHE H A 68 CYS HBy 1.0 1.8 5.0 616 392 A 69 PHE H A 68 CYS HBx 1.0 1.8 5.0 617 393 A 68 CYS H A 75 TYR HBy 1.0 1.8 6.5 618 393 A 68 CYS H A 75 TYR HBx 1.0 1.8 6.5 619 394 A 75 TYR HD% A 68 CYS HBy 1.0 1.8 8.9 620 394 A 68 CYS HBx A 75 TYR HD% 1.0 1.8 8.9 621 395 A 68 CYS H A 76 ALA HB% 1.0 1.8 5.0 622 396 A 68 CYS H A 77 PRO HDy 1.0 1.8 6.5 623 396 A 68 CYS H A 77 PRO HDx 1.0 1.8 6.5 624 397 A 90 CYS HA A 68 CYS HBy 1.0 1.8 6.5 625 397 A 68 CYS HBx A 90 CYS HA 1.0 1.8 6.5 626 398 A 68 CYS HBy A 90 CYS HBy 1.0 1.8 7.5 627 398 A 68 CYS HBx A 90 CYS HBy 1.0 1.8 7.5 628 398 A 90 CYS HBx A 68 CYS HBy 1.0 1.8 7.5 629 398 A 68 CYS HBx A 90 CYS HBx 1.0 1.8 7.5 630 399 A 68 CYS HA A 95 TRP HE1 1.0 1.8 4.0 631 400 A 95 TRP HE1 A 68 CYS HBy 1.0 1.8 5.0 632 400 A 68 CYS HBx A 95 TRP HE1 1.0 1.8 5.0 633 401 A 95 TRP HD1 A 68 CYS HBy 1.0 1.8 6.5 634 401 A 68 CYS HBx A 95 TRP HD1 1.0 1.8 6.5 635 402 A 95 TRP HH2 A 68 CYS HBy 1.0 1.8 6.5 636 402 A 68 CYS HBx A 95 TRP HH2 1.0 1.8 6.5 637 403 A 95 TRP HZ2 A 68 CYS HBy 1.0 1.8 6.5 638 403 A 68 CYS HBx A 95 TRP HZ2 1.0 1.8 6.5 639 404 A 69 PHE HA A 70 HIS HA 1.0 1.8 5.5 640 405 A 69 PHE HA A 70 HIS H 1.0 1.8 3.2 641 406 A 70 HIS H A 69 PHE HBy 1.0 1.8 5.0 642 406 A 70 HIS H A 69 PHE HBx 1.0 1.8 5.0 643 407 A 69 PHE HD% A 70 HIS H 1.0 1.8 7.9 644 408 A 69 PHE HA A 73 LYS H 1.0 1.8 5.5 645 409 A 69 PHE HA A 74 GLU HA 1.0 1.8 3.2 646 410 A 69 PHE HA A 74 GLU HGy 1.0 1.8 6.5 647 410 A 69 PHE HA A 74 GLU HGx 1.0 1.8 6.5 648 411 A 69 PHE HD% A 74 GLU HBy 1.0 1.8 8.9 649 411 A 69 PHE HD% A 74 GLU HBx 1.0 1.8 8.9 650 412 A 69 PHE HD% A 74 GLU HA 1.0 1.8 6.4 651 413 A 69 PHE HD% A 74 GLU HGy 1.0 1.8 8.9 652 413 A 69 PHE HD% A 74 GLU HGx 1.0 1.8 8.9 653 414 A 69 PHE HE% A 74 GLU HGy 1.0 1.8 7.5 654 414 A 69 PHE HE% A 74 GLU HGx 1.0 1.8 7.5 655 415 A 69 PHE HE% A 74 GLU HA 1.0 1.8 6.5 656 416 A 69 PHE HE% A 74 GLU HBy 1.0 1.8 6.0 657 416 A 69 PHE HE% A 74 GLU HBx 1.0 1.8 6.0 658 417 A 69 PHE HZ A 74 GLU HGy 1.0 1.8 5.0 659 417 A 69 PHE HZ A 74 GLU HGx 1.0 1.8 5.0 660 418 A 75 TYR HD% A 69 PHE HA 1.0 1.8 6.4 661 419 A 69 PHE HA A 75 TYR HE% 1.0 1.8 5.0 662 420 A 75 TYR H A 69 PHE HA 1.0 1.8 4.0 663 421 A 69 PHE H A 95 TRP HD1 1.0 1.8 5.5 664 422 A 69 PHE H A 95 TRP HZ2 1.0 1.8 5.5 665 423 A 95 TRP HZ2 A 69 PHE HA 1.0 1.8 5.5 666 424 A 70 HIS HD2 A 71 GLN HGy 1.0 1.8 6.5 667 424 A 70 HIS HD2 A 71 GLN HGx 1.0 1.8 6.5 668 425 A 70 HIS HE1 A 71 GLN HGy 1.0 1.8 6.5 669 425 A 71 GLN HGx A 70 HIS HE1 1.0 1.8 6.5 670 426 A 70 HIS H A 73 LYS HBy 1.0 1.8 6.5 671 426 A 70 HIS H A 73 LYS HBx 1.0 1.8 6.5 672 427 A 70 HIS HA A 73 LYS HBy 1.0 1.8 6.5 673 427 A 70 HIS HA A 73 LYS HBx 1.0 1.8 6.5 674 428 A 70 HIS H A 74 GLU HA 1.0 1.8 5.4 675 429 A 75 TYR HD% A 70 HIS H 1.0 1.8 6.4 676 430 A 70 HIS H A 75 TYR HE% 1.0 1.8 4.2 677 431 A 75 TYR HD% A 70 HIS HA 1.0 1.8 7.9 678 432 A 70 HIS HA A 75 TYR HE% 1.0 1.8 6.5 679 433 A 75 TYR HE% A 70 HIS HBy 1.0 1.8 6.0 680 433 A 75 TYR HE% A 70 HIS HBx 1.0 1.8 6.0 681 434 A 75 TYR HD% A 70 HIS HBy 1.0 1.8 8.9 682 434 A 75 TYR HD% A 70 HIS HBx 1.0 1.8 8.9 683 435 A 70 HIS H A 81 VAL HGx% 1.0 3.2 7.4 684 436 A 70 HIS H A 81 VAL HGy% 1.0 3.2 7.4 685 437 A 70 HIS HA A 81 VAL HGx% 1.0 1.8 7.5 686 438 A 81 VAL HGy% A 70 HIS HBy 1.0 1.8 7.0 687 438 A 70 HIS HBx A 81 VAL HGy% 1.0 1.8 7.0 688 439 A 81 VAL HGx% A 70 HIS HBy 1.0 1.8 8.5 689 439 A 70 HIS HBx A 81 VAL HGx% 1.0 1.8 8.5 690 440 A 70 HIS HD2 A 81 VAL HGy% 1.0 1.8 5.9 691 441 A 70 HIS HD2 A 81 VAL HB 1.0 1.8 5.5 692 442 A 70 HIS HD2 A 81 VAL HGx% 1.0 1.8 5.9 693 443 A 70 HIS HE1 A 81 VAL HGx% 1.0 1.8 7.5 694 444 A 70 HIS HE1 A 81 VAL HGy% 1.0 1.8 7.5 695 445 A 83 ILE HG2% A 70 HIS HBy 1.0 1.8 8.5 696 445 A 70 HIS HBx A 83 ILE HG2% 1.0 1.8 8.5 697 446 A 70 HIS HE1 A 83 ILE HG2% 1.0 1.8 5.2 698 447 A 70 HIS HE1 A 83 ILE HD1% 1.0 1.8 5.2 699 448 A 70 HIS HE1 A 83 ILE HG1y 1.0 1.8 7.5 700 448 A 70 HIS HE1 A 83 ILE HG1x 1.0 1.8 7.5 701 449 A 95 TRP HZ2 A 70 HIS H 1.0 1.8 5.5 702 450 A 95 TRP HZ2 A 70 HIS HA 1.0 1.8 5.5 703 451 A 95 TRP HE1 A 70 HIS HA 1.0 1.8 4.0 704 452 A 95 TRP HZ2 A 70 HIS HBy 1.0 1.8 6.5 705 452 A 95 TRP HZ2 A 70 HIS HBx 1.0 1.8 6.5 706 453 A 95 TRP HE1 A 70 HIS HBy 1.0 1.8 5.0 707 453 A 95 TRP HE1 A 70 HIS HBx 1.0 1.8 5.0 708 454 A 71 GLN HA A 72 GLY H 1.0 1.8 5.5 709 455 A 73 LYS H A 71 GLN HA 1.0 1.8 5.5 710 456 A 73 LYS H A 72 GLY HAy 1.0 1.8 5.0 711 456 A 73 LYS H A 72 GLY HAx 1.0 1.8 5.0 712 457 A 73 LYS HA A 74 GLU H 1.0 1.8 3.2 713 458 A 73 LYS HA A 74 GLU HBy 1.0 1.8 6.5 714 458 A 74 GLU HBx A 73 LYS HA 1.0 1.8 6.5 715 459 A 74 GLU H A 73 LYS HBy 1.0 1.8 4.2 716 459 A 73 LYS HBx A 74 GLU H 1.0 1.8 4.2 717 460 A 74 GLU H A 73 LYS HGy 1.0 1.8 4.2 718 460 A 74 GLU H A 73 LYS HGx 1.0 1.8 4.2 719 461 A 74 GLU H A 73 LYS HDx 1.0 1.8 5.0 720 461 A 74 GLU H A 73 LYS HDy 1.0 1.8 5.0 721 462 A 74 GLU H A 73 LYS HEy 1.0 1.8 6.5 722 462 A 74 GLU H A 73 LYS HEx 1.0 1.8 6.5 723 463 A 73 LYS H A 75 TYR HE% 1.0 1.8 5.0 724 464 A 75 TYR HE% A 73 LYS HA 1.0 1.8 6.5 725 465 A 75 TYR HE% A 73 LYS HBy 1.0 1.8 5.2 726 465 A 75 TYR HE% A 73 LYS HBx 1.0 1.8 5.2 727 466 A 75 TYR HD% A 73 LYS HBy 1.0 1.8 8.9 728 466 A 75 TYR HD% A 73 LYS HBx 1.0 1.8 8.9 729 467 A 75 TYR HE% A 73 LYS HGy 1.0 1.8 7.5 730 467 A 75 TYR HE% A 73 LYS HGx 1.0 1.8 7.5 731 468 A 75 TYR HD% A 73 LYS HGy 1.0 1.8 8.9 732 468 A 75 TYR HD% A 73 LYS HGx 1.0 1.8 8.9 733 469 A 75 TYR HD% A 73 LYS HDx 1.0 1.8 8.9 734 469 A 75 TYR HD% A 73 LYS HDy 1.0 1.8 8.9 735 470 A 75 TYR HE% A 73 LYS HDx 1.0 1.8 6.0 736 470 A 75 TYR HE% A 73 LYS HDy 1.0 1.8 6.0 737 471 A 75 TYR HE% A 74 GLU H 1.0 1.8 6.5 738 472 A 74 GLU HA A 75 TYR HE% 1.0 1.8 6.5 739 473 A 75 TYR H A 74 GLU HA 1.0 1.8 3.2 740 474 A 75 TYR H A 74 GLU HBy 1.0 1.8 5.0 741 474 A 75 TYR H A 74 GLU HBx 1.0 1.8 5.0 742 475 A 75 TYR H A 74 GLU HGy 1.0 1.8 5.0 743 475 A 75 TYR H A 74 GLU HGx 1.0 1.8 5.0 744 476 A 75 TYR HA A 76 ALA H 1.0 1.8 3.2 745 477 A 76 ALA HB% A 75 TYR HA 1.0 1.8 4.9 746 478 A 76 ALA H A 75 TYR HBy 1.0 1.8 6.5 747 478 A 75 TYR HBx A 76 ALA H 1.0 1.8 6.5 748 479 A 76 ALA HB% A 75 TYR HBy 1.0 1.8 6.0 749 479 A 76 ALA HB% A 75 TYR HBx 1.0 1.8 6.0 750 480 A 75 TYR HD% A 76 ALA H 1.0 1.8 7.9 751 481 A 76 ALA HB% A 75 TYR HD% 1.0 1.8 7.4 752 482 A 75 TYR HBx A 79 GLU HGy 1.0 1.8 7.4 753 482 A 75 TYR HBy A 79 GLU HGy 1.0 1.8 7.4 754 482 A 79 GLU HGx A 75 TYR HBy 1.0 1.8 7.4 755 482 A 75 TYR HBx A 79 GLU HGx 1.0 1.8 7.4 756 483 A 75 TYR HD% A 79 GLU HGy 1.0 1.8 7.4 757 483 A 75 TYR HD% A 79 GLU HGx 1.0 1.8 7.4 758 484 A 75 TYR HD% A 79 GLU HBy 1.0 1.8 7.4 759 484 A 75 TYR HD% A 79 GLU HBx 1.0 1.8 7.4 760 485 A 81 VAL HGx% A 75 TYR HA 1.0 1.8 7.5 761 486 A 81 VAL HGx% A 75 TYR HBy 1.0 1.8 8.5 762 486 A 75 TYR HBx A 81 VAL HGx% 1.0 1.8 8.5 763 487 A 75 TYR HD% A 81 VAL HB 1.0 1.8 7.9 764 488 A 75 TYR HD% A 81 VAL HGx% 1.0 1.8 8.4 765 489 A 75 TYR HD% A 81 VAL HGy% 1.0 1.8 8.4 766 490 A 75 TYR HE% A 81 VAL HA 1.0 1.8 6.5 767 491 A 75 TYR HE% A 81 VAL HGx% 1.0 1.8 6.2 768 492 A 75 TYR HE% A 81 VAL HGy% 1.0 1.8 6.9 769 493 A 75 TYR HE% A 81 VAL HB 1.0 1.8 6.5 770 494 A 95 TRP HH2 A 75 TYR HA 1.0 1.8 5.5 771 495 A 95 TRP HZ2 A 75 TYR HBy 1.0 1.8 6.5 772 495 A 75 TYR HBx A 95 TRP HZ2 1.0 1.8 6.5 773 496 A 95 TRP HH2 A 75 TYR HBy 1.0 1.8 6.4 774 496 A 75 TYR HBx A 95 TRP HH2 1.0 1.8 6.4 775 497 A 75 TYR HD% A 95 TRP HZ2 1.0 1.8 6.4 776 498 A 75 TYR HD% A 95 TRP HH2 1.0 1.8 7.9 777 499 A 95 TRP HH2 A 75 TYR HE% 1.0 1.8 6.5 778 500 A 95 TRP HZ2 A 75 TYR HE% 1.0 1.8 5.0 779 501 A 76 ALA H A 77 PRO HDy 1.0 1.8 6.4 780 501 A 77 PRO HDx A 76 ALA H 1.0 1.8 6.4 781 502 A 76 ALA HA A 77 PRO HBy 1.0 1.8 6.5 782 502 A 76 ALA HA A 77 PRO HBx 1.0 1.8 6.5 783 503 A 76 ALA HA A 77 PRO HDy 1.0 1.8 4.2 784 503 A 76 ALA HA A 77 PRO HDx 1.0 1.8 4.2 785 504 A 76 ALA HB% A 77 PRO HA 1.0 1.8 6.4 786 505 A 76 ALA HB% A 77 PRO HDy 1.0 1.8 5.2 787 505 A 76 ALA HB% A 77 PRO HDx 1.0 1.8 5.2 788 506 A 76 ALA HB% A 77 PRO HBy 1.0 1.8 7.5 789 506 A 76 ALA HB% A 77 PRO HBx 1.0 1.8 7.5 790 507 A 76 ALA HB% A 77 PRO HGy 1.0 1.8 6.0 791 507 A 76 ALA HB% A 77 PRO HGx 1.0 1.8 6.0 792 508 A 76 ALA HB% A 78 GLY H 1.0 1.8 6.5 793 509 A 76 ALA H A 79 GLU HGy 1.0 1.8 5.0 794 509 A 76 ALA H A 79 GLU HGx 1.0 1.8 5.0 795 510 A 76 ALA H A 79 GLU HBy 1.0 1.8 6.5 796 510 A 76 ALA H A 79 GLU HBx 1.0 1.8 6.5 797 511 A 76 ALA HB% A 79 GLU HGy 1.0 1.8 5.2 798 511 A 76 ALA HB% A 79 GLU HGx 1.0 1.8 5.2 799 512 A 76 ALA HB% A 79 GLU HBy 1.0 1.8 7.4 800 512 A 76 ALA HB% A 79 GLU HBx 1.0 1.8 7.4 801 513 A 76 ALA HB% A 79 GLU H 1.0 1.8 5.4 802 514 A 77 PRO HA A 78 GLY HAy 1.0 1.8 5.0 803 514 A 77 PRO HA A 78 GLY HAx 1.0 1.8 5.0 804 515 A 77 PRO HA A 78 GLY H 1.0 1.8 3.2 805 516 A 78 GLY H A 77 PRO HBy 1.0 1.8 5.0 806 516 A 77 PRO HBx A 78 GLY H 1.0 1.8 5.0 807 517 A 78 GLY H A 77 PRO HGy 1.0 1.8 6.5 808 517 A 77 PRO HGx A 78 GLY H 1.0 1.8 6.5 809 518 A 78 GLY H A 77 PRO HDy 1.0 1.8 6.5 810 518 A 77 PRO HDx A 78 GLY H 1.0 1.8 6.5 811 519 A 77 PRO HA A 79 GLU H 1.0 1.8 3.9 812 520 A 77 PRO HA A 90 CYS HBy 1.0 1.8 6.4 813 520 A 90 CYS HBx A 77 PRO HA 1.0 1.8 6.4 814 521 A 77 PRO HA A 90 CYS H 1.0 1.8 5.4 815 522 A 79 GLU HA A 78 GLY HAy 1.0 1.8 6.5 816 522 A 78 GLY HAx A 79 GLU HA 1.0 1.8 6.5 817 523 A 79 GLU H A 78 GLY HAy 1.0 1.8 5.0 818 523 A 79 GLU H A 78 GLY HAx 1.0 1.8 5.0 819 524 A 78 GLY H A 89 VAL HGy% 1.0 1.8 5.2 820 525 A 78 GLY H A 89 VAL HGx% 1.0 1.8 5.2 821 526 A 89 VAL HGy% A 78 GLY HAy 1.0 1.8 6.2 822 526 A 78 GLY HAx A 89 VAL HGy% 1.0 1.8 6.2 823 527 A 89 VAL HGx% A 78 GLY HAy 1.0 1.8 6.2 824 527 A 78 GLY HAx A 89 VAL HGx% 1.0 1.8 6.2 825 528 A 89 VAL HB A 78 GLY HAy 1.0 1.8 6.5 826 528 A 78 GLY HAx A 89 VAL HB 1.0 1.8 6.5 827 529 A 78 GLY H A 90 CYS HBy 1.0 1.8 6.5 828 529 A 90 CYS HBx A 78 GLY H 1.0 1.8 6.5 829 530 A 78 GLY HAy A 90 CYS HBy 1.0 1.8 7.5 830 530 A 90 CYS HBx A 78 GLY HAy 1.0 1.8 7.5 831 530 A 90 CYS HBx A 78 GLY HAx 1.0 1.8 7.5 832 530 A 78 GLY HAx A 90 CYS HBy 1.0 1.8 7.5 833 531 A 79 GLU HA A 80 THR H 1.0 1.8 3.2 834 532 A 79 GLU HA A 80 THR HB 1.0 1.8 5.4 835 533 A 79 GLU HA A 80 THR HG2% 1.0 1.8 5.9 836 534 A 79 GLU HA A 80 THR HA 1.0 1.8 5.5 837 535 A 80 THR H A 79 GLU HBy 1.0 1.8 5.0 838 535 A 79 GLU HBx A 80 THR H 1.0 1.8 5.0 839 536 A 80 THR HB A 79 GLU HGy 1.0 1.8 6.5 840 536 A 79 GLU HGx A 80 THR HB 1.0 1.8 6.5 841 537 A 80 THR H A 79 GLU HGy 1.0 1.8 4.2 842 537 A 79 GLU HGx A 80 THR H 1.0 1.8 4.2 843 538 A 80 THR HA A 79 GLU HGy 1.0 1.8 6.4 844 538 A 79 GLU HGx A 80 THR HA 1.0 1.8 6.4 845 539 A 79 GLU H A 89 VAL HA 1.0 1.8 5.5 846 540 A 79 GLU H A 89 VAL HGx% 1.0 1.8 6.0 847 541 A 79 GLU H A 89 VAL HGy% 1.0 1.8 5.9 848 542 A 79 GLU HA A 89 VAL HGy% 1.0 1.8 6.0 849 543 A 79 GLU H A 90 CYS HBy 1.0 1.8 5.0 850 543 A 90 CYS HBx A 79 GLU H 1.0 1.8 5.0 851 544 A 81 VAL HGy% A 80 THR HA 1.0 1.8 5.2 852 545 A 81 VAL HA A 80 THR HA 1.0 1.8 4.5 853 546 A 81 VAL HGx% A 80 THR HA 1.0 1.8 5.2 854 547 A 80 THR HA A 81 VAL H 1.0 1.8 3.2 855 548 A 81 VAL HGy% A 80 THR HB 1.0 1.8 6.0 856 549 A 81 VAL HGx% A 80 THR HB 1.0 1.8 6.0 857 550 A 80 THR HB A 81 VAL H 1.0 1.8 3.2 858 551 A 81 VAL HA A 80 THR HG2% 1.0 1.8 5.9 859 552 A 80 THR HA A 88 CYS H 1.0 1.8 5.4 860 553 A 80 THR HB A 88 CYS H 1.0 1.8 4.5 861 554 A 80 THR H A 89 VAL HA 1.0 1.8 5.5 862 555 A 89 VAL HGx% A 80 THR HA 1.0 1.8 5.9 863 556 A 89 VAL HGy% A 80 THR HA 1.0 1.8 5.2 864 557 A 89 VAL HB A 80 THR HA 1.0 1.8 4.0 865 558 A 80 THR HA A 89 VAL HA 1.0 1.8 3.7 866 559 A 89 VAL HB A 80 THR HB 1.0 1.8 5.5 867 560 A 80 THR HB A 89 VAL HA 1.0 1.8 4.0 868 561 A 80 THR HG2% A 89 VAL H 1.0 1.8 7.5 869 562 A 80 THR HG2% A 89 VAL HA 1.0 1.8 5.2 870 563 A 89 VAL HB A 80 THR HG2% 1.0 1.8 5.2 871 564 A 90 CYS H A 80 THR HA 1.0 1.8 5.3 872 565 A 80 THR HA A 95 TRP HZ3 1.0 1.8 3.9 873 566 A 80 THR HB A 95 TRP HZ3 1.0 1.8 5.4 874 567 A 95 TRP HH2 A 80 THR HG2% 1.0 1.8 7.5 875 568 A 81 VAL HA A 82 LYS HGy 1.0 1.8 6.4 876 568 A 81 VAL HA A 82 LYS HGx 1.0 1.8 6.4 877 569 A 81 VAL HA A 82 LYS HBy 1.0 1.8 4.9 878 569 A 81 VAL HA A 82 LYS HBx 1.0 1.8 4.9 879 570 A 81 VAL HA A 82 LYS HA 1.0 1.8 4.5 880 571 A 81 VAL HA A 82 LYS HDy 1.0 1.8 6.4 881 571 A 81 VAL HA A 82 LYS HDx 1.0 1.8 6.4 882 572 A 81 VAL HA A 82 LYS H 1.0 1.8 3.2 883 573 A 81 VAL HB A 82 LYS HBy 1.0 1.8 5.5 884 573 A 81 VAL HB A 82 LYS HBx 1.0 1.8 5.5 885 574 A 87 THR HG2% A 82 LYS HEy 1.0 1.8 6.4 886 574 A 87 THR HG2% A 82 LYS HEx 1.0 1.8 6.4 887 575 A 81 VAL HB A 82 LYS H 1.0 1.8 3.2 888 576 A 81 VAL HB A 82 LYS HA 1.0 1.8 5.5 889 577 A 81 VAL HGx% A 82 LYS HBy 1.0 1.8 7.0 890 577 A 81 VAL HGx% A 82 LYS HBx 1.0 1.8 7.0 891 578 A 81 VAL HGy% A 82 LYS HBy 1.0 1.8 7.0 892 578 A 81 VAL HGy% A 82 LYS HBx 1.0 1.8 7.0 893 579 A 81 VAL HGx% A 82 LYS H 1.0 1.8 5.2 894 580 A 81 VAL HGy% A 82 LYS HA 1.0 1.8 5.9 895 581 A 81 VAL HGy% A 82 LYS HDy 1.0 1.8 8.5 896 581 A 81 VAL HGy% A 82 LYS HDx 1.0 1.8 8.5 897 582 A 81 VAL HGy% A 82 LYS H 1.0 1.8 5.7 898 583 A 81 VAL HGx% A 82 LYS HA 1.0 1.8 7.4 899 584 A 81 VAL HGy% A 82 LYS HGy 1.0 1.8 8.5 900 584 A 81 VAL HGy% A 82 LYS HGx 1.0 1.8 8.5 901 585 A 83 ILE HD1% A 81 VAL HA 1.0 1.8 7.5 902 586 A 81 VAL HB A 83 ILE HG1y 1.0 1.8 7.5 903 586 A 81 VAL HB A 83 ILE HG1x 1.0 1.8 7.5 904 587 A 81 VAL HB A 83 ILE HD1% 1.0 1.8 7.5 905 588 A 81 VAL HGx% A 83 ILE HG2% 1.0 1.8 9.5 906 589 A 81 VAL HGy% A 83 ILE HG2% 1.0 1.8 9.4 907 590 A 81 VAL HGy% A 83 ILE HG1y 1.0 1.8 7.9 908 590 A 81 VAL HGy% A 83 ILE HG1x 1.0 1.8 7.9 909 591 A 81 VAL HGy% A 83 ILE HD1% 1.0 1.8 7.9 910 592 A 81 VAL HGx% A 83 ILE HD1% 1.0 1.8 7.9 911 593 A 81 VAL HGy% A 83 ILE HA 1.0 1.8 7.5 912 594 A 81 VAL HGx% A 83 ILE HG1y 1.0 1.8 8.0 913 594 A 81 VAL HGx% A 83 ILE HG1x 1.0 1.8 8.0 914 595 A 81 VAL HGy% A 83 ILE HB 1.0 1.8 7.5 915 596 A 81 VAL H A 87 THR HB 1.0 1.8 5.5 916 597 A 81 VAL H A 87 THR HG2% 1.0 1.8 5.2 917 598 A 81 VAL H A 87 THR HA 1.0 1.8 5.4 918 599 A 81 VAL HGx% A 87 THR HA 1.0 1.8 7.5 919 600 A 81 VAL HGy% A 87 THR HB 1.0 1.8 7.5 920 601 A 81 VAL HGy% A 87 THR HA 1.0 1.8 7.4 921 602 A 81 VAL HGy% A 87 THR HG2% 1.0 1.8 7.9 922 603 A 81 VAL H A 88 CYS HBy 1.0 1.8 6.5 923 603 A 81 VAL H A 88 CYS HBx 1.0 1.8 6.5 924 604 A 81 VAL HA A 88 CYS H 1.0 1.8 5.5 925 605 A 81 VAL HGx% A 88 CYS H 1.0 1.8 6.0 926 606 A 81 VAL HGy% A 88 CYS H 1.0 1.8 5.9 927 607 A 81 VAL HGy% A 88 CYS HA 1.0 1.8 7.5 928 608 A 81 VAL HGx% A 88 CYS HBy 1.0 1.8 6.2 929 608 A 81 VAL HGx% A 88 CYS HBx 1.0 1.8 6.2 930 609 A 81 VAL HGy% A 88 CYS HBy 1.0 1.8 6.2 931 609 A 81 VAL HGy% A 88 CYS HBx 1.0 1.8 6.2 932 610 A 89 VAL HA A 81 VAL H 1.0 1.8 3.9 933 611 A 81 VAL HGx% A 89 VAL HA 1.0 1.8 7.5 934 612 A 81 VAL HGy% A 89 VAL HA 1.0 1.8 7.5 935 613 A 95 TRP HH2 A 81 VAL HB 1.0 1.8 5.5 936 614 A 81 VAL HGx% A 95 TRP HE3 1.0 1.8 7.5 937 615 A 95 TRP HE1 A 81 VAL HGy% 1.0 1.8 7.4 938 616 A 95 TRP HZ2 A 81 VAL HGx% 1.0 1.8 6.0 939 617 A 95 TRP HZ2 A 81 VAL HGy% 1.0 1.8 6.0 940 618 A 95 TRP HH2 A 81 VAL HGy% 1.0 1.8 7.5 941 619 A 81 VAL HGy% A 95 TRP HZ3 1.0 1.8 7.5 942 620 A 81 VAL HGx% A 95 TRP HZ3 1.0 1.8 7.5 943 621 A 95 TRP HE1 A 81 VAL HGx% 1.0 1.8 7.4 944 622 A 81 VAL HGy% A 95 TRP HE3 1.0 1.8 7.4 945 623 A 95 TRP HH2 A 81 VAL HGx% 1.0 1.8 7.5 946 624 A 82 LYS HA A 83 ILE HA 1.0 1.8 4.5 947 625 A 82 LYS HA A 83 ILE HB 1.0 1.8 5.4 948 626 A 82 LYS HA A 83 ILE HG1y 1.0 1.8 7.5 949 626 A 83 ILE HG1x A 82 LYS HA 1.0 1.8 7.5 950 627 A 85 CYS HA A 82 LYS HEy 1.0 1.8 4.2 951 627 A 82 LYS HEx A 85 CYS HA 1.0 1.8 4.2 952 628 A 82 LYS HA A 87 THR HA 1.0 1.8 3.2 953 629 A 82 LYS HA A 87 THR HG2% 1.0 1.8 5.2 954 630 A 87 THR HA A 82 LYS HBy 1.0 1.8 6.5 955 630 A 82 LYS HBx A 87 THR HA 1.0 1.8 6.5 956 631 A 87 THR HB A 82 LYS HGy 1.0 1.8 6.5 957 631 A 82 LYS HGx A 87 THR HB 1.0 1.8 6.5 958 632 A 87 THR HA A 82 LYS HDy 1.0 1.8 4.2 959 632 A 82 LYS HDx A 87 THR HA 1.0 1.8 4.2 960 633 A 87 THR HB A 82 LYS HDy 1.0 1.8 6.5 961 633 A 82 LYS HDx A 87 THR HB 1.0 1.8 6.5 962 634 A 87 THR HG2% A 82 LYS HEy 1.0 1.8 6.2 963 634 A 87 THR HG2% A 82 LYS HEx 1.0 1.8 6.2 964 635 A 88 CYS H A 82 LYS HA 1.0 1.8 5.3 965 636 A 88 CYS H A 82 LYS HDy 1.0 1.8 6.5 966 636 A 88 CYS H A 82 LYS HDx 1.0 1.8 6.5 967 637 A 83 ILE HG2% A 84 GLY HAy 1.0 1.8 8.5 968 637 A 83 ILE HG2% A 84 GLY HAx 1.0 1.8 8.5 969 638 A 83 ILE HG2% A 86 ASN HBy 1.0 1.8 8.4 970 638 A 83 ILE HG2% A 86 ASN HBx 1.0 1.8 8.4 971 639 A 83 ILE HG2% A 86 ASN H 1.0 1.8 7.4 972 640 A 87 THR HB A 83 ILE H 1.0 1.8 4.0 973 641 A 87 THR HA A 83 ILE H 1.0 1.8 3.9 974 642 A 83 ILE HB A 88 CYS HBy 1.0 1.8 6.5 975 642 A 83 ILE HB A 88 CYS HBx 1.0 1.8 6.5 976 643 A 83 ILE HD1% A 88 CYS HBy 1.0 1.8 8.5 977 643 A 83 ILE HD1% A 88 CYS HBx 1.0 1.8 8.5 978 644 A 83 ILE HD1% A 95 TRP HE3 1.0 1.8 6.0 979 645 A 95 TRP HD1 A 83 ILE HD1% 1.0 1.8 7.5 980 646 A 83 ILE HD1% A 95 TRP HBy 1.0 1.8 7.0 981 646 A 83 ILE HD1% A 95 TRP HBx 1.0 1.8 7.0 982 647 A 95 TRP HE1 A 83 ILE HD1% 1.0 1.8 7.5 983 648 A 85 CYS HA A 84 GLY HAy 1.0 1.8 6.5 984 648 A 85 CYS HA A 84 GLY HAx 1.0 1.8 6.5 985 649 A 84 GLY HAy A 85 CYS HBy 1.0 1.8 7.5 986 649 A 84 GLY HAx A 85 CYS HBy 1.0 1.8 7.5 987 649 A 85 CYS HBx A 84 GLY HAy 1.0 1.8 7.5 988 649 A 84 GLY HAx A 85 CYS HBx 1.0 1.8 7.5 989 650 A 85 CYS H A 84 GLY HAy 1.0 1.8 6.5 990 650 A 84 GLY HAx A 85 CYS H 1.0 1.8 6.5 991 651 A 86 ASN H A 84 GLY HAy 1.0 1.8 6.5 992 651 A 84 GLY HAx A 86 ASN H 1.0 1.8 6.5 993 652 A 85 CYS HA A 86 ASN H 1.0 1.8 3.2 994 653 A 86 ASN H A 85 CYS HBy 1.0 1.8 6.4 995 653 A 86 ASN H A 85 CYS HBx 1.0 1.8 6.4 996 654 A 85 CYS HA A 102 CYS HBy 1.0 1.8 6.5 997 654 A 85 CYS HA A 102 CYS HBx 1.0 1.8 6.5 998 655 A 85 CYS HBx A 102 CYS HBy 1.0 1.8 5.9 999 655 A 85 CYS HBy A 102 CYS HBy 1.0 1.8 5.9 1000 655 A 102 CYS HBx A 85 CYS HBy 1.0 1.8 5.9 1001 655 A 85 CYS HBx A 102 CYS HBx 1.0 1.8 5.9 1002 656 A 102 CYS HA A 85 CYS HBy 1.0 1.8 4.9 1003 656 A 85 CYS HBx A 102 CYS HA 1.0 1.8 4.9 1004 657 A 85 CYS HA A 103 ASP H 1.0 1.8 5.5 1005 658 A 86 ASN HA A 87 THR H 1.0 1.8 3.2 1006 659 A 87 THR HG2% A 86 ASN HA 1.0 1.8 7.5 1007 660 A 87 THR HB A 86 ASN HA 1.0 1.8 5.4 1008 661 A 87 THR H A 86 ASN HBy 1.0 1.8 4.2 1009 661 A 86 ASN HBx A 87 THR H 1.0 1.8 4.2 1010 662 A 87 THR HB A 86 ASN HBy 1.0 1.8 6.5 1011 662 A 87 THR HB A 86 ASN HBx 1.0 1.8 6.5 1012 663 A 86 ASN HA A 98 THR HG2% 1.0 1.8 6.0 1013 664 A 98 THR HG2% A 86 ASN HBy 1.0 1.8 8.5 1014 664 A 86 ASN HBx A 98 THR HG2% 1.0 1.8 8.5 1015 665 A 86 ASN HA A 100 HIS HD2 1.0 1.8 4.0 1016 666 A 86 ASN HD21 A 100 HIS HBy 1.0 1.8 8.5 1017 666 A 86 ASN HD22 A 100 HIS HBy 1.0 1.8 8.5 1018 666 A 100 HIS HBx A 86 ASN HD22 1.0 1.8 8.5 1019 666 A 86 ASN HD21 A 100 HIS HBx 1.0 1.8 8.5 1020 667 A 88 CYS H A 87 THR HA 1.0 1.8 3.2 1021 668 A 87 THR HA A 88 CYS HBy 1.0 1.8 6.5 1022 668 A 87 THR HA A 88 CYS HBx 1.0 1.8 6.5 1023 669 A 87 THR HB A 88 CYS HA 1.0 1.8 5.5 1024 670 A 88 CYS H A 87 THR HB 1.0 1.8 3.9 1025 671 A 88 CYS H A 87 THR HG2% 1.0 1.8 5.2 1026 672 A 87 THR HG2% A 88 CYS HA 1.0 1.8 7.5 1027 673 A 87 THR HG2% A 88 CYS HBy 1.0 1.8 8.5 1028 673 A 87 THR HG2% A 88 CYS HBx 1.0 1.8 8.5 1029 674 A 87 THR HB A 97 CYS HA 1.0 1.8 6.0 1030 675 A 87 THR HG2% A 97 CYS HA 1.0 1.8 8.0 1031 676 A 87 THR HB A 98 THR HG2% 1.0 1.8 5.9 1032 677 A 89 VAL HA A 88 CYS H 1.0 1.8 5.5 1033 678 A 89 VAL HA A 88 CYS HA 1.0 1.8 5.5 1034 679 A 89 VAL H A 88 CYS HA 1.0 1.8 3.2 1035 680 A 89 VAL HGy% A 88 CYS HA 1.0 1.8 5.9 1036 681 A 89 VAL HGx% A 88 CYS HA 1.0 1.8 5.2 1037 682 A 89 VAL HB A 88 CYS HA 1.0 1.8 5.5 1038 683 A 89 VAL HGx% A 88 CYS HBy 1.0 1.8 8.5 1039 683 A 89 VAL HGx% A 88 CYS HBx 1.0 1.8 8.5 1040 684 A 89 VAL HA A 88 CYS HBy 1.0 1.8 6.5 1041 684 A 89 VAL HA A 88 CYS HBx 1.0 1.8 6.5 1042 685 A 89 VAL H A 88 CYS HBy 1.0 1.8 5.0 1043 685 A 89 VAL H A 88 CYS HBx 1.0 1.8 5.0 1044 686 A 88 CYS H A 95 TRP HE3 1.0 1.8 5.5 1045 687 A 88 CYS HA A 95 TRP HA 1.0 1.8 5.5 1046 688 A 88 CYS HA A 95 TRP HE3 1.0 1.8 5.5 1047 689 A 95 TRP HA A 88 CYS HBy 1.0 1.8 5.0 1048 689 A 88 CYS HBx A 95 TRP HA 1.0 1.8 5.0 1049 690 A 88 CYS HBy A 95 TRP HBy 1.0 1.8 6.0 1050 690 A 88 CYS HBx A 95 TRP HBy 1.0 1.8 6.0 1051 690 A 95 TRP HBx A 88 CYS HBy 1.0 1.8 6.0 1052 690 A 88 CYS HBx A 95 TRP HBx 1.0 1.8 6.0 1053 691 A 95 TRP HE3 A 88 CYS HBy 1.0 1.8 5.0 1054 691 A 88 CYS HBx A 95 TRP HE3 1.0 1.8 5.0 1055 692 A 88 CYS HA A 96 ASN HA 1.0 1.8 5.5 1056 693 A 88 CYS HA A 96 ASN HBy 1.0 1.8 6.5 1057 693 A 88 CYS HA A 96 ASN HBx 1.0 1.8 6.5 1058 694 A 88 CYS HA A 96 ASN H 1.0 1.8 5.5 1059 695 A 96 ASN H A 88 CYS HBy 1.0 1.8 6.5 1060 695 A 88 CYS HBx A 96 ASN H 1.0 1.8 6.5 1061 696 A 88 CYS H A 97 CYS HA 1.0 1.8 5.5 1062 697 A 88 CYS HA A 97 CYS HA 1.0 1.8 3.2 1063 698 A 88 CYS HA A 97 CYS HBy 1.0 1.8 5.0 1064 698 A 88 CYS HA A 97 CYS HBx 1.0 1.8 5.0 1065 699 A 88 CYS HBx A 97 CYS HBy 1.0 1.8 7.5 1066 699 A 88 CYS HBy A 97 CYS HBy 1.0 1.8 7.5 1067 699 A 97 CYS HBx A 88 CYS HBy 1.0 1.8 7.5 1068 699 A 88 CYS HBx A 97 CYS HBx 1.0 1.8 7.5 1069 700 A 97 CYS HA A 88 CYS HBy 1.0 1.8 5.0 1070 700 A 88 CYS HBx A 97 CYS HA 1.0 1.8 5.0 1071 701 A 88 CYS HA A 98 THR H 1.0 1.8 3.2 1072 702 A 88 CYS HA A 98 THR HG2% 1.0 1.8 7.5 1073 703 A 90 CYS H A 89 VAL HA 1.0 1.8 3.2 1074 704 A 89 VAL HA A 90 CYS HBy 1.0 1.8 6.4 1075 704 A 90 CYS HBx A 89 VAL HA 1.0 1.8 6.4 1076 705 A 90 CYS HA A 89 VAL HA 1.0 1.8 5.5 1077 706 A 90 CYS H A 89 VAL HB 1.0 1.8 4.2 1078 707 A 90 CYS HA A 89 VAL HGy% 1.0 1.8 7.4 1079 708 A 90 CYS H A 89 VAL HGy% 1.0 1.8 5.2 1080 709 A 90 CYS H A 89 VAL HGx% 1.0 1.8 5.2 1081 710 A 89 VAL HGy% A 90 CYS HBy 1.0 1.8 8.4 1082 710 A 90 CYS HBx A 89 VAL HGy% 1.0 1.8 8.4 1083 711 A 89 VAL HGx% A 90 CYS HBy 1.0 1.8 8.4 1084 711 A 90 CYS HBx A 89 VAL HGx% 1.0 1.8 8.4 1085 712 A 90 CYS HA A 89 VAL HGx% 1.0 1.8 7.4 1086 713 A 89 VAL HGx% A 91 ARG HBy 1.0 1.8 6.2 1087 713 A 89 VAL HGx% A 91 ARG HBx 1.0 1.8 6.2 1088 714 A 89 VAL HGy% A 91 ARG H 1.0 1.8 7.4 1089 715 A 89 VAL HGx% A 91 ARG HGy 1.0 1.8 6.9 1090 715 A 89 VAL HGx% A 91 ARG HGx 1.0 1.8 6.9 1091 716 A 89 VAL HGx% A 91 ARG HDy 1.0 1.8 6.9 1092 716 A 89 VAL HGx% A 91 ARG HDx 1.0 1.8 6.9 1093 717 A 89 VAL HGx% A 91 ARG H 1.0 1.8 6.0 1094 718 A 89 VAL HGy% A 91 ARG HDy 1.0 1.8 7.0 1095 718 A 89 VAL HGy% A 91 ARG HDx 1.0 1.8 7.0 1096 719 A 89 VAL H A 95 TRP HE3 1.0 1.8 5.5 1097 720 A 89 VAL HA A 95 TRP HZ3 1.0 1.8 5.5 1098 721 A 89 VAL HA A 95 TRP HA 1.0 1.8 5.5 1099 722 A 89 VAL HA A 95 TRP HE3 1.0 1.8 5.5 1100 723 A 89 VAL HB A 95 TRP HZ3 1.0 1.8 5.5 1101 724 A 89 VAL HB A 95 TRP HE3 1.0 1.8 5.5 1102 725 A 89 VAL HGx% A 95 TRP HE3 1.0 1.8 6.0 1103 726 A 89 VAL HGy% A 95 TRP HE3 1.0 1.8 5.9 1104 727 A 95 TRP HH2 A 89 VAL HGy% 1.0 1.8 7.5 1105 728 A 89 VAL HGy% A 95 TRP HZ3 1.0 1.8 6.0 1106 729 A 89 VAL H A 96 ASN HA 1.0 1.8 5.5 1107 730 A 89 VAL H A 96 ASN HBy 1.0 1.8 5.0 1108 730 A 89 VAL H A 96 ASN HBx 1.0 1.8 5.0 1109 731 A 89 VAL HB A 96 ASN HBy 1.0 1.8 6.5 1110 731 A 89 VAL HB A 96 ASN HBx 1.0 1.8 6.5 1111 732 A 89 VAL HB A 96 ASN H 1.0 1.8 5.5 1112 733 A 89 VAL HGx% A 96 ASN HBy 1.0 1.8 6.2 1113 733 A 89 VAL HGx% A 96 ASN HBx 1.0 1.8 6.2 1114 734 A 89 VAL HGx% A 96 ASN H 1.0 1.8 5.2 1115 735 A 89 VAL HGy% A 96 ASN HBy 1.0 1.8 6.9 1116 735 A 89 VAL HGy% A 96 ASN HBx 1.0 1.8 6.9 1117 736 A 89 VAL HGx% A 96 ASN HA 1.0 1.8 7.4 1118 737 A 89 VAL HGy% A 96 ASN H 1.0 1.8 6.0 1119 738 A 89 VAL H A 97 CYS HA 1.0 1.8 3.9 1120 739 A 89 VAL H A 97 CYS HBy 1.0 1.8 6.5 1121 739 A 89 VAL H A 97 CYS HBx 1.0 1.8 6.5 1122 740 A 89 VAL HGx% A 97 CYS HA 1.0 1.8 7.5 1123 741 A 90 CYS HA A 91 ARG H 1.0 1.8 3.2 1124 742 A 91 ARG H A 90 CYS HBy 1.0 1.8 6.5 1125 742 A 90 CYS HBx A 91 ARG H 1.0 1.8 6.5 1126 743 A 90 CYS HA A 94 LYS H 1.0 1.8 5.4 1127 744 A 90 CYS H A 95 TRP HE3 1.0 1.8 5.4 1128 745 A 90 CYS H A 95 TRP HZ3 1.0 1.8 5.5 1129 746 A 90 CYS HA A 95 TRP HE3 1.0 1.8 4.1 1130 747 A 90 CYS HA A 95 TRP HA 1.0 1.8 3.2 1131 748 A 95 TRP HZ3 A 90 CYS HBy 1.0 1.8 6.5 1132 748 A 90 CYS HBx A 95 TRP HZ3 1.0 1.8 6.5 1133 749 A 95 TRP HE3 A 90 CYS HBy 1.0 1.8 6.5 1134 749 A 90 CYS HBx A 95 TRP HE3 1.0 1.8 6.5 1135 750 A 90 CYS HA A 96 ASN H 1.0 1.8 4.0 1136 751 A 91 ARG HA A 92 ASP H 1.0 1.8 3.2 1137 752 A 92 ASP H A 91 ARG HBy 1.0 1.8 4.2 1138 752 A 91 ARG HBx A 92 ASP H 1.0 1.8 4.2 1139 753 A 92 ASP H A 91 ARG HGy 1.0 1.8 5.0 1140 753 A 91 ARG HGx A 92 ASP H 1.0 1.8 5.0 1141 754 A 91 ARG HGx A 92 ASP HBy 1.0 1.8 7.5 1142 754 A 91 ARG HGy A 92 ASP HBy 1.0 1.8 7.5 1143 754 A 92 ASP HBx A 91 ARG HGy 1.0 1.8 7.5 1144 754 A 91 ARG HGx A 92 ASP HBx 1.0 1.8 7.5 1145 755 A 92 ASP H A 91 ARG HDy 1.0 1.8 6.5 1146 755 A 91 ARG HDx A 92 ASP H 1.0 1.8 6.5 1147 756 A 91 ARG HA A 93 ARG H 1.0 1.8 4.0 1148 757 A 94 LYS H A 91 ARG HA 1.0 1.8 5.5 1149 758 A 94 LYS H A 91 ARG HBy 1.0 1.8 6.5 1150 758 A 91 ARG HBx A 94 LYS H 1.0 1.8 6.5 1151 759 A 91 ARG HBx A 96 ASN HD22 1.0 1.8 8.5 1152 759 A 91 ARG HBy A 96 ASN HD22 1.0 1.8 8.5 1153 759 A 96 ASN HD21 A 91 ARG HBy 1.0 1.8 8.5 1154 759 A 91 ARG HBx A 96 ASN HD21 1.0 1.8 8.5 1155 760 A 91 ARG HBx A 96 ASN HBy 1.0 1.8 6.0 1156 760 A 91 ARG HBy A 96 ASN HBy 1.0 1.8 6.0 1157 760 A 96 ASN HBx A 91 ARG HBy 1.0 1.8 6.0 1158 760 A 96 ASN HBx A 91 ARG HBx 1.0 1.8 6.0 1159 761 A 93 ARG HA A 92 ASP H 1.0 1.8 5.5 1160 762 A 93 ARG H A 92 ASP HA 1.0 1.8 3.2 1161 763 A 92 ASP HA A 93 ARG HGy 1.0 1.8 6.5 1162 763 A 93 ARG HGx A 92 ASP HA 1.0 1.8 6.5 1163 764 A 93 ARG HA A 92 ASP HA 1.0 1.8 5.0 1164 765 A 93 ARG H A 92 ASP HBy 1.0 1.8 6.5 1165 765 A 92 ASP HBx A 93 ARG H 1.0 1.8 6.5 1166 766 A 94 LYS H A 92 ASP HA 1.0 1.8 5.5 1167 767 A 94 LYS H A 92 ASP HBy 1.0 1.8 6.5 1168 767 A 94 LYS H A 92 ASP HBx 1.0 1.8 6.5 1169 768 A 92 ASP HBy A 94 LYS HDy 1.0 1.8 7.5 1170 768 A 92 ASP HBx A 94 LYS HDy 1.0 1.8 7.5 1171 768 A 94 LYS HDx A 92 ASP HBy 1.0 1.8 7.5 1172 768 A 92 ASP HBx A 94 LYS HDx 1.0 1.8 7.5 1173 769 A 93 ARG HA A 94 LYS HA 1.0 1.8 5.5 1174 770 A 93 ARG HA A 94 LYS HBy 1.0 1.8 6.5 1175 770 A 93 ARG HA A 94 LYS HBx 1.0 1.8 6.5 1176 771 A 93 ARG HA A 94 LYS H 1.0 1.8 3.2 1177 772 A 94 LYS HA A 95 TRP HBy 1.0 1.8 6.5 1178 772 A 95 TRP HBx A 94 LYS HA 1.0 1.8 6.5 1179 773 A 95 TRP HD1 A 94 LYS HA 1.0 1.8 5.5 1180 774 A 94 LYS HA A 95 TRP H 1.0 1.8 3.2 1181 775 A 95 TRP H A 94 LYS HBy 1.0 1.8 4.2 1182 775 A 94 LYS HBx A 95 TRP H 1.0 1.8 4.2 1183 776 A 95 TRP H A 94 LYS HGy 1.0 1.8 5.0 1184 776 A 95 TRP H A 94 LYS HGx 1.0 1.8 5.0 1185 777 A 95 TRP H A 94 LYS HDy 1.0 1.8 6.5 1186 777 A 94 LYS HDx A 95 TRP H 1.0 1.8 6.5 1187 778 A 95 TRP H A 94 LYS HEx 1.0 1.8 6.5 1188 778 A 95 TRP H A 94 LYS HEy 1.0 1.8 6.5 1189 779 A 95 TRP HA A 96 ASN H 1.0 1.8 3.2 1190 780 A 95 TRP HA A 96 ASN HBy 1.0 1.8 5.0 1191 780 A 95 TRP HA A 96 ASN HBx 1.0 1.8 5.0 1192 781 A 96 ASN H A 95 TRP HBy 1.0 1.8 6.5 1193 781 A 95 TRP HBx A 96 ASN H 1.0 1.8 6.5 1194 782 A 95 TRP HE3 A 96 ASN H 1.0 1.8 5.4 1195 783 A 97 CYS HA A 98 THR HA 1.0 1.8 5.5 1196 784 A 98 THR HG2% A 97 CYS HA 1.0 1.8 6.0 1197 785 A 97 CYS HA A 98 THR H 1.0 1.8 3.2 1198 786 A 98 THR HA A 97 CYS HBy 1.0 1.8 6.5 1199 786 A 97 CYS HBx A 98 THR HA 1.0 1.8 6.5 1200 787 A 98 THR HG2% A 97 CYS HBy 1.0 1.8 8.5 1201 787 A 98 THR HG2% A 97 CYS HBx 1.0 1.8 8.5 1202 788 A 98 THR H A 97 CYS HBy 1.0 1.8 4.2 1203 788 A 97 CYS HBx A 98 THR H 1.0 1.8 4.2 1204 789 A 98 THR HA A 99 ASP HA 1.0 1.8 5.4 1205 790 A 98 THR HA A 99 ASP HBy 1.0 1.8 6.5 1206 790 A 98 THR HA A 99 ASP HBx 1.0 1.8 6.5 1207 791 A 98 THR HA A 99 ASP H 1.0 1.8 3.2 1208 792 A 99 ASP H A 98 THR HB 1.0 1.8 3.2 1209 793 A 99 ASP HA A 98 THR HB 1.0 1.8 5.5 1210 794 A 98 THR HG2% A 99 ASP HA 1.0 1.8 5.2 1211 795 A 98 THR HG2% A 99 ASP H 1.0 1.8 5.2 1212 796 A 98 THR HG2% A 99 ASP HBy 1.0 1.8 8.5 1213 796 A 98 THR HG2% A 99 ASP HBx 1.0 1.8 8.5 1214 797 A 98 THR HA A 100 HIS H 1.0 1.8 4.0 1215 798 A 100 HIS HD2 A 98 THR HA 1.0 1.8 5.5 1216 799 A 98 THR HB A 100 HIS HBy 1.0 1.8 6.5 1217 799 A 100 HIS HBx A 98 THR HB 1.0 1.8 6.5 1218 800 A 100 HIS HD2 A 98 THR HB 1.0 1.8 4.0 1219 801 A 98 THR HB A 100 HIS H 1.0 1.8 5.4 1220 802 A 98 THR HG2% A 100 HIS HD2 1.0 1.8 6.0 1221 803 A 98 THR HG2% A 100 HIS HE1 1.0 1.8 6.0 1222 804 A 98 THR HG2% A 100 HIS H 1.0 1.8 7.4 1223 805 A 100 HIS HD2 A 99 ASP H 1.0 1.8 5.5 1224 806 A 99 ASP HA A 100 HIS H 1.0 1.8 3.2 1225 807 A 100 HIS H A 99 ASP HBy 1.0 1.8 6.5 1226 807 A 99 ASP HBx A 100 HIS H 1.0 1.8 6.5 1227 808 A 100 HIS HA A 101 VAL H 1.0 1.8 3.2 1228 809 A 101 VAL HGy% A 100 HIS HBy 1.0 1.8 8.5 1229 809 A 100 HIS HBx A 101 VAL HGy% 1.0 1.8 8.5 1230 810 A 101 VAL HA A 102 CYS HBy 1.0 1.8 6.5 1231 810 A 102 CYS HBx A 101 VAL HA 1.0 1.8 6.5 1232 811 A 101 VAL HGx% A 102 CYS HBy 1.0 1.8 8.5 1233 811 A 102 CYS HBx A 101 VAL HGx% 1.0 1.8 8.5 1234 812 A 101 VAL HGx% A 102 CYS H 1.0 1.8 5.2 1235 813 A 102 CYS HA A 101 VAL HGx% 1.0 1.8 5.9 1236 814 A 101 VAL HGy% A 102 CYS HBy 1.0 1.8 8.4 1237 814 A 102 CYS HBx A 101 VAL HGy% 1.0 1.8 8.4 1238 815 A 103 ASP H A 101 VAL HA 1.0 1.8 5.5 1239 816 A 101 VAL HGx% A 103 ASP HBy 1.0 1.8 8.5 1240 816 A 101 VAL HGx% A 103 ASP HBx 1.0 1.8 8.5 1241 817 A 103 ASP H A 101 VAL HGy% 1.0 1.8 6.0 1242 818 A 103 ASP H A 101 VAL HGx% 1.0 1.8 5.2 1243 819 A 102 CYS HA A 103 ASP H 1.0 1.8 3.2 1244 820 A 103 ASP HA A 102 CYS HBy 1.0 1.8 6.5 1245 820 A 102 CYS HBx A 103 ASP HA 1.0 1.8 6.5 1246 821 A 103 ASP H A 102 CYS HBy 1.0 1.8 5.0 1247 821 A 102 CYS HBx A 103 ASP H 1.0 1.8 5.0 1248 822 A 9 PRO HA A 10 MET H 1.0 1.8 4.0 1249 823 A 10 MET H A 9 PRO HBy 1.0 1.8 6.5 1250 823 A 10 MET H A 9 PRO HBx 1.0 1.8 6.5 1251 824 A 10 MET H A 9 PRO HDy 1.0 1.8 6.5 1252 824 A 10 MET H A 9 PRO HDx 1.0 1.8 6.5 1253 825 A 10 MET HA A 11 VAL H 1.0 1.8 4.0 1254 826 A 11 VAL HA A 12 LYS H 1.0 1.8 3.2 1255 827 A 12 LYS H A 11 VAL HB 1.0 1.8 4.0 1256 828 A 11 VAL HGx% A 12 LYS H 1.0 1.8 6.0 1257 829 A 11 VAL HGy% A 12 LYS H 1.0 1.8 7.5 1258 830 A 11 VAL H A 48 LEU HG 1.0 1.8 5.5 1259 831 A 11 VAL H A 48 LEU H 1.0 1.8 5.5 1260 832 A 12 LYS HA A 13 LEU H 1.0 1.8 5.5 1261 833 A 48 LEU H A 12 LYS HA 1.0 1.8 5.5 1262 834 A 13 LEU HA A 14 VAL H 1.0 1.8 3.2 1263 835 A 13 LEU H A 46 GLY H 1.0 1.8 5.5 1264 836 A 47 CYS HA A 13 LEU H 1.0 1.8 5.5 1265 837 A 14 VAL HA A 15 CYS H 1.0 1.8 3.2 1266 838 A 14 VAL HGx% A 15 CYS H 1.0 1.8 6.0 1267 839 A 14 VAL HGx% A 45 SER H 1.0 1.8 6.1 1268 840 A 46 GLY H A 14 VAL HA 1.0 1.8 5.5 1269 841 A 15 CYS H A 45 SER HA 1.0 1.8 5.5 1270 842 A 15 CYS H A 45 SER HBy 1.0 1.8 6.5 1271 842 A 15 CYS H A 45 SER HBx 1.0 1.8 6.5 1272 843 A 17 ALA H A 16 PRO HBy 1.0 1.8 6.5 1273 843 A 16 PRO HBx A 17 ALA H 1.0 1.8 6.5 1274 844 A 18 ASP H A 16 PRO HBy 1.0 1.8 6.5 1275 844 A 16 PRO HBx A 18 ASP H 1.0 1.8 6.5 1276 845 A 18 ASP HA A 17 ALA H 1.0 1.8 5.0 1277 846 A 18 ASP H A 17 ALA H 1.0 1.8 5.5 1278 847 A 18 ASP H A 17 ALA HA 1.0 1.8 4.0 1279 848 A 18 ASP H A 17 ALA HB% 1.0 1.8 5.0 1280 849 A 20 LEU HDy% A 17 ALA H 1.0 1.8 7.5 1281 850 A 20 LEU HDx% A 17 ALA H 1.0 1.8 7.5 1282 851 A 18 ASP H A 19 ASN H 1.0 1.8 5.5 1283 852 A 21 ARG H A 22 ALA H 1.0 1.8 5.5 1284 853 A 22 ALA HA A 23 GLU H 1.0 1.8 3.2 1285 854 A 22 ALA HB% A 23 GLU H 1.0 1.8 5.0 1286 855 A 29 LYS HA A 30 THR H 1.0 1.8 3.2 1287 856 A 30 THR H A 29 LYS HGy 1.0 1.8 6.5 1288 856 A 30 THR H A 29 LYS HGx 1.0 1.8 6.5 1289 857 A 29 LYS H A 32 GLN HGx 1.0 1.8 6.5 1290 857 A 29 LYS H A 32 GLN HGy 1.0 1.8 6.5 1291 858 A 34 TYR H A 29 LYS HBy 1.0 1.8 6.5 1292 858 A 29 LYS HBx A 34 TYR H 1.0 1.8 6.5 1293 859 A 30 THR HA A 31 CYS H 1.0 1.8 3.2 1294 860 A 31 CYS H A 30 THR HB 1.0 1.8 3.2 1295 861 A 31 CYS H A 30 THR HG2% 1.0 1.8 6.0 1296 862 A 30 THR H A 33 ASN HD22 1.0 1.8 7.5 1297 862 A 30 THR H A 33 ASN HD21 1.0 1.8 7.5 1298 863 A 30 THR HG2% A 33 ASN HD22 1.0 1.8 9.5 1299 863 A 33 ASN HD21 A 30 THR HG2% 1.0 1.8 9.5 1300 864 A 30 THR HG2% A 33 ASN H 1.0 1.8 7.5 1301 865 A 30 THR H A 54 VAL HB 1.0 1.8 5.5 1302 866 A 30 THR HA A 55 ARG H 1.0 1.8 4.0 1303 867 A 30 THR HG2% A 55 ARG H 1.0 1.8 7.5 1304 868 A 31 CYS H A 32 GLN H 1.0 1.8 5.5 1305 869 A 31 CYS H A 54 VAL HB 1.0 1.8 5.5 1306 870 A 54 VAL HGx% A 31 CYS H 1.0 1.8 7.5 1307 871 A 31 CYS H A 54 VAL HGy% 1.0 1.8 7.5 1308 872 A 33 ASN H A 32 GLN HA 1.0 1.8 5.5 1309 873 A 33 ASN H A 32 GLN HGx 1.0 1.8 6.5 1310 873 A 32 GLN HGy A 33 ASN H 1.0 1.8 6.5 1311 874 A 33 ASN H A 34 TYR H 1.0 1.8 3.2 1312 875 A 33 ASN HA A 35 ASP H 1.0 1.8 5.5 1313 876 A 35 ASP H A 34 TYR H 1.0 1.8 4.1 1314 877 A 34 TYR HA A 35 ASP H 1.0 1.8 5.5 1315 878 A 35 ASP H A 34 TYR HBy 1.0 1.8 6.5 1316 878 A 34 TYR HBx A 35 ASP H 1.0 1.8 6.5 1317 879 A 34 TYR HD% A 35 ASP H 1.0 1.8 7.9 1318 880 A 34 TYR H A 36 LEU HG 1.0 1.8 5.5 1319 881 A 35 ASP H A 36 LEU H 1.0 1.8 3.2 1320 882 A 35 ASP H A 36 LEU HG 1.0 1.8 5.5 1321 883 A 35 ASP HA A 36 LEU H 1.0 1.8 4.0 1322 884 A 36 LEU H A 35 ASP HBy 1.0 1.8 6.5 1323 884 A 36 LEU H A 35 ASP HBx 1.0 1.8 6.5 1324 885 A 36 LEU H A 37 GLU H 1.0 1.8 5.5 1325 886 A 36 LEU HA A 37 GLU H 1.0 1.8 3.2 1326 887 A 36 LEU HDy% A 37 GLU H 1.0 1.8 7.5 1327 888 A 39 MET HA A 40 SER H 1.0 1.8 3.2 1328 889 A 41 MET HA A 42 GLY H 1.0 1.8 5.5 1329 890 A 43 CYS H A 42 GLY H 1.0 1.8 5.5 1330 891 A 43 CYS H A 42 GLY HAy 1.0 1.8 6.5 1331 891 A 42 GLY HAx A 43 CYS H 1.0 1.8 6.5 1332 892 A 44 VAL HA A 45 SER H 1.0 1.8 3.2 1333 893 A 45 SER H A 44 VAL HGx% 1.0 1.8 6.0 1334 894 A 45 SER H A 44 VAL HGy% 1.0 1.8 6.0 1335 895 A 46 GLY H A 45 SER HA 1.0 1.8 3.2 1336 896 A 47 CYS H A 46 GLY HAy 1.0 1.8 4.2 1337 896 A 46 GLY HAx A 47 CYS H 1.0 1.8 4.2 1338 897 A 47 CYS HA A 48 LEU H 1.0 1.8 3.2 1339 898 A 48 LEU H A 47 CYS HBy 1.0 1.8 6.5 1340 898 A 48 LEU H A 47 CYS HBx 1.0 1.8 6.5 1341 899 A 53 MET H A 52 GLY HAy 1.0 1.8 5.0 1342 899 A 52 GLY HAx A 53 MET H 1.0 1.8 5.0 1343 900 A 54 VAL H A 53 MET HA 1.0 1.8 3.2 1344 901 A 54 VAL H A 53 MET HBy 1.0 1.8 5.0 1345 901 A 54 VAL H A 53 MET HBx 1.0 1.8 5.0 1346 902 A 54 VAL H A 53 MET HGy 1.0 1.8 6.5 1347 902 A 54 VAL H A 53 MET HGx 1.0 1.8 6.5 1348 903 A 63 LEU H A 53 MET HA 1.0 1.8 4.0 1349 904 A 54 VAL HA A 55 ARG H 1.0 1.8 4.0 1350 905 A 54 VAL HGx% A 55 ARG H 1.0 1.8 7.5 1351 906 A 54 VAL HGy% A 55 ARG H 1.0 1.8 7.5 1352 907 A 54 VAL H A 61 VAL H 1.0 1.8 4.0 1353 908 A 61 VAL H A 54 VAL HGy% 1.0 1.8 7.5 1354 909 A 54 VAL H A 62 ALA HA 1.0 1.8 5.5 1355 910 A 55 ARG HA A 56 HIS H 1.0 1.8 3.2 1356 911 A 56 HIS H A 55 ARG HGy 1.0 1.8 6.5 1357 911 A 55 ARG HGx A 56 HIS H 1.0 1.8 6.5 1358 912 A 55 ARG HA A 59 ARG H 1.0 1.8 5.5 1359 913 A 61 VAL H A 55 ARG HA 1.0 1.8 5.5 1360 914 A 56 HIS HA A 57 GLU H 1.0 1.8 3.2 1361 915 A 57 GLU H A 56 HIS HBy 1.0 1.8 6.5 1362 915 A 56 HIS HBx A 57 GLU H 1.0 1.8 6.5 1363 916 A 56 HIS H A 59 ARG H 1.0 1.8 5.5 1364 917 A 60 CYS HA A 56 HIS H 1.0 1.8 5.5 1365 918 A 61 VAL HGy% A 56 HIS H 1.0 1.8 7.5 1366 919 A 57 GLU H A 58 ASN H 1.0 1.8 5.5 1367 920 A 57 GLU HA A 58 ASN H 1.0 1.8 5.5 1368 921 A 58 ASN H A 57 GLU HBy 1.0 1.8 6.5 1369 921 A 57 GLU HBx A 58 ASN H 1.0 1.8 6.5 1370 922 A 59 ARG H A 58 ASN H 1.0 1.8 5.5 1371 923 A 59 ARG H A 58 ASN HA 1.0 1.8 4.0 1372 924 A 59 ARG H A 58 ASN HBy 1.0 1.8 6.5 1373 924 A 59 ARG H A 58 ASN HBx 1.0 1.8 6.5 1374 925 A 60 CYS H A 59 ARG H 1.0 1.8 5.5 1375 926 A 60 CYS H A 59 ARG HA 1.0 1.8 3.2 1376 927 A 60 CYS H A 59 ARG HBy 1.0 1.8 4.2 1377 927 A 60 CYS H A 59 ARG HBx 1.0 1.8 4.2 1378 928 A 60 CYS H A 59 ARG HGy 1.0 1.8 6.5 1379 928 A 60 CYS H A 59 ARG HGx 1.0 1.8 6.5 1380 929 A 60 CYS H A 59 ARG HDx 1.0 1.8 6.5 1381 929 A 60 CYS H A 59 ARG HDy 1.0 1.8 6.5 1382 930 A 61 VAL H A 60 CYS H 1.0 1.8 5.5 1383 931 A 61 VAL HGx% A 60 CYS H 1.0 1.8 7.5 1384 932 A 60 CYS HA A 61 VAL H 1.0 1.8 3.2 1385 933 A 61 VAL H A 60 CYS HBy 1.0 1.8 6.5 1386 933 A 61 VAL H A 60 CYS HBx 1.0 1.8 6.5 1387 934 A 61 VAL HA A 62 ALA H 1.0 1.8 3.2 1388 935 A 62 ALA H A 61 VAL HB 1.0 1.8 3.2 1389 936 A 61 VAL HGx% A 62 ALA H 1.0 1.8 6.0 1390 937 A 61 VAL HGy% A 62 ALA H 1.0 1.8 6.0 1391 938 A 61 VAL HGy% A 66 CYS H 1.0 1.8 7.5 1392 939 A 62 ALA HB% A 63 LEU H 1.0 1.8 4.2 1393 940 A 62 ALA HB% A 64 GLU H 1.0 1.8 4.2 1394 941 A 62 ALA H A 65 ARG HGy 1.0 1.8 6.5 1395 941 A 62 ALA H A 65 ARG HGx 1.0 1.8 6.5 1396 942 A 62 ALA H A 65 ARG HDy 1.0 1.8 6.5 1397 942 A 62 ALA H A 65 ARG HDx 1.0 1.8 6.5 1398 943 A 62 ALA HB% A 65 ARG H 1.0 1.8 5.0 1399 944 A 63 LEU H A 64 GLU H 1.0 1.8 4.0 1400 945 A 63 LEU HA A 64 GLU H 1.0 1.8 5.5 1401 946 A 64 GLU H A 63 LEU HBy 1.0 1.8 5.0 1402 946 A 63 LEU HBx A 64 GLU H 1.0 1.8 5.0 1403 947 A 63 LEU HA A 66 CYS H 1.0 1.8 5.5 1404 948 A 65 ARG H A 64 GLU H 1.0 1.8 4.0 1405 949 A 65 ARG H A 64 GLU HA 1.0 1.8 5.5 1406 950 A 65 ARG H A 64 GLU HGx 1.0 1.8 6.5 1407 950 A 65 ARG H A 64 GLU HGy 1.0 1.8 6.5 1408 951 A 66 CYS H A 64 GLU HA 1.0 1.8 5.5 1409 952 A 65 ARG H A 66 CYS H 1.0 1.8 3.2 1410 953 A 66 CYS H A 65 ARG HBy 1.0 1.8 6.5 1411 953 A 66 CYS H A 65 ARG HBx 1.0 1.8 6.5 1412 954 A 66 CYS H A 65 ARG HGy 1.0 1.8 6.5 1413 954 A 66 CYS H A 65 ARG HGx 1.0 1.8 6.5 1414 955 A 66 CYS H A 67 PRO HDy 1.0 1.8 6.5 1415 955 A 66 CYS H A 67 PRO HDx 1.0 1.8 6.5 1416 956 A 66 CYS H A 93 ARG HDy 1.0 1.8 5.0 1417 956 A 66 CYS H A 93 ARG HDx 1.0 1.8 5.0 1418 957 A 66 CYS H A 93 ARG HGy 1.0 1.8 5.0 1419 957 A 66 CYS H A 93 ARG HGx 1.0 1.8 5.0 1420 958 A 93 ARG H A 66 CYS HBy 1.0 1.8 6.5 1421 958 A 66 CYS HBx A 93 ARG H 1.0 1.8 6.5 1422 959 A 67 PRO HA A 68 CYS H 1.0 1.8 3.2 1423 960 A 68 CYS H A 67 PRO HBy 1.0 1.8 4.2 1424 960 A 68 CYS H A 67 PRO HBx 1.0 1.8 4.2 1425 961 A 75 TYR H A 67 PRO HBy 1.0 1.8 5.0 1426 961 A 67 PRO HBx A 75 TYR H 1.0 1.8 5.0 1427 962 A 68 CYS H A 69 PHE H 1.0 1.8 5.5 1428 963 A 68 CYS HA A 69 PHE H 1.0 1.8 3.2 1429 964 A 69 PHE H A 68 CYS HBy 1.0 1.8 4.2 1430 964 A 69 PHE H A 68 CYS HBx 1.0 1.8 4.2 1431 965 A 68 CYS H A 75 TYR HD% 1.0 1.8 7.9 1432 966 A 68 CYS H A 75 TYR HBy 1.0 1.8 6.5 1433 966 A 68 CYS H A 75 TYR HBx 1.0 1.8 6.5 1434 967 A 68 CYS H A 75 TYR H 1.0 1.8 4.0 1435 968 A 68 CYS HA A 95 TRP HE1 1.0 1.8 5.5 1436 969 A 95 TRP HE1 A 68 CYS HBy 1.0 1.8 5.0 1437 969 A 68 CYS HBx A 95 TRP HE1 1.0 1.8 5.0 1438 970 A 69 PHE H A 70 HIS H 1.0 1.8 5.5 1439 971 A 69 PHE HA A 70 HIS H 1.0 1.8 3.2 1440 972 A 70 HIS H A 69 PHE HBy 1.0 1.8 4.2 1441 972 A 70 HIS H A 69 PHE HBx 1.0 1.8 4.2 1442 973 A 69 PHE HD% A 70 HIS H 1.0 1.8 7.9 1443 974 A 69 PHE HA A 73 LYS H 1.0 1.8 5.5 1444 975 A 69 PHE HD% A 74 GLU H 1.0 1.8 7.9 1445 976 A 75 TYR H A 69 PHE HA 1.0 1.8 5.5 1446 977 A 69 PHE H A 95 TRP HE1 1.0 1.8 3.2 1447 978 A 69 PHE H A 95 TRP HZ2 1.0 1.8 5.5 1448 979 A 69 PHE H A 95 TRP HD1 1.0 1.8 5.5 1449 980 A 70 HIS H A 72 GLY H 1.0 1.8 5.5 1450 981 A 70 HIS H A 73 LYS HBy 1.0 1.8 6.5 1451 981 A 70 HIS H A 73 LYS HBx 1.0 1.8 6.5 1452 982 A 70 HIS H A 73 LYS H 1.0 1.8 3.2 1453 983 A 70 HIS H A 74 GLU H 1.0 1.8 5.5 1454 984 A 70 HIS H A 74 GLU HA 1.0 1.8 4.0 1455 985 A 75 TYR H A 70 HIS H 1.0 1.8 5.5 1456 986 A 75 TYR HD% A 70 HIS H 1.0 1.8 5.6 1457 987 A 70 HIS H A 75 TYR HE% 1.0 1.8 4.2 1458 988 A 70 HIS H A 81 VAL HGx% 1.0 1.8 7.5 1459 989 A 95 TRP HZ2 A 70 HIS H 1.0 1.8 5.5 1460 990 A 95 TRP HE1 A 70 HIS HA 1.0 1.8 4.0 1461 991 A 95 TRP HE1 A 70 HIS HBy 1.0 1.8 4.2 1462 991 A 95 TRP HE1 A 70 HIS HBx 1.0 1.8 4.2 1463 992 A 72 GLY H A 71 GLN HBy 1.0 1.8 6.5 1464 992 A 72 GLY H A 71 GLN HBx 1.0 1.8 6.5 1465 993 A 72 GLY H A 71 GLN HGy 1.0 1.8 6.5 1466 993 A 71 GLN HGx A 72 GLY H 1.0 1.8 6.5 1467 994 A 73 LYS H A 72 GLY H 1.0 1.8 4.0 1468 995 A 73 LYS H A 72 GLY HAy 1.0 1.8 5.0 1469 995 A 73 LYS H A 72 GLY HAx 1.0 1.8 5.0 1470 996 A 73 LYS H A 74 GLU H 1.0 1.8 5.5 1471 997 A 73 LYS HA A 74 GLU H 1.0 1.8 3.2 1472 998 A 74 GLU H A 73 LYS HBy 1.0 1.8 4.2 1473 998 A 73 LYS HBx A 74 GLU H 1.0 1.8 4.2 1474 999 A 74 GLU H A 73 LYS HGy 1.0 1.8 5.0 1475 999 A 74 GLU H A 73 LYS HGx 1.0 1.8 5.0 1476 1000 A 73 LYS H A 75 TYR HE% 1.0 1.8 5.0 1477 1001 A 75 TYR HD% A 73 LYS H 1.0 1.8 7.9 1478 1002 A 75 TYR HE% A 74 GLU H 1.0 1.8 6.5 1479 1003 A 75 TYR HD% A 74 GLU H 1.0 1.8 7.9 1480 1004 A 75 TYR H A 74 GLU H 1.0 1.8 5.5 1481 1005 A 75 TYR H A 74 GLU HA 1.0 1.8 3.2 1482 1006 A 75 TYR H A 74 GLU HBy 1.0 1.8 5.0 1483 1006 A 75 TYR H A 74 GLU HBx 1.0 1.8 5.0 1484 1007 A 75 TYR H A 74 GLU HGy 1.0 1.8 5.0 1485 1007 A 75 TYR H A 74 GLU HGx 1.0 1.8 5.0 1486 1008 A 75 TYR H A 76 ALA H 1.0 1.8 5.5 1487 1009 A 75 TYR HA A 76 ALA H 1.0 1.8 3.2 1488 1010 A 76 ALA H A 75 TYR HBy 1.0 1.8 4.2 1489 1010 A 75 TYR HBx A 76 ALA H 1.0 1.8 4.2 1490 1011 A 75 TYR HD% A 76 ALA H 1.0 1.8 6.4 1491 1012 A 79 GLU H A 75 TYR HBy 1.0 1.8 6.5 1492 1012 A 75 TYR HBx A 79 GLU H 1.0 1.8 6.5 1493 1013 A 75 TYR HD% A 80 THR H 1.0 1.8 7.9 1494 1014 A 75 TYR H A 95 TRP HH2 1.0 1.8 5.5 1495 1015 A 76 ALA H A 77 PRO HDy 1.0 1.8 6.5 1496 1015 A 77 PRO HDx A 76 ALA H 1.0 1.8 6.5 1497 1016 A 76 ALA H A 79 GLU HGy 1.0 1.8 5.0 1498 1016 A 76 ALA H A 79 GLU HGx 1.0 1.8 5.0 1499 1017 A 76 ALA H A 79 GLU H 1.0 1.8 5.5 1500 1018 A 76 ALA H A 79 GLU HBy 1.0 1.8 5.0 1501 1018 A 76 ALA H A 79 GLU HBx 1.0 1.8 5.0 1502 1019 A 76 ALA HB% A 79 GLU H 1.0 1.8 5.0 1503 1020 A 77 PRO HA A 78 GLY H 1.0 1.8 3.2 1504 1021 A 78 GLY H A 77 PRO HBy 1.0 1.8 5.0 1505 1021 A 77 PRO HBx A 78 GLY H 1.0 1.8 5.0 1506 1022 A 78 GLY H A 77 PRO HGy 1.0 1.8 6.5 1507 1022 A 77 PRO HGx A 78 GLY H 1.0 1.8 6.5 1508 1023 A 77 PRO HA A 79 GLU H 1.0 1.8 4.0 1509 1024 A 77 PRO HA A 90 CYS H 1.0 1.8 5.5 1510 1025 A 78 GLY H A 79 GLU H 1.0 1.8 3.2 1511 1026 A 79 GLU H A 78 GLY HAy 1.0 1.8 5.0 1512 1026 A 79 GLU H A 78 GLY HAx 1.0 1.8 5.0 1513 1027 A 78 GLY H A 89 VAL HGy% 1.0 1.8 5.2 1514 1028 A 78 GLY H A 90 CYS H 1.0 1.8 5.5 1515 1029 A 78 GLY H A 90 CYS HBy 1.0 1.8 5.0 1516 1029 A 90 CYS HBx A 78 GLY H 1.0 1.8 5.0 1517 1030 A 90 CYS HA A 78 GLY H 1.0 1.8 5.5 1518 1031 A 78 GLY H A 91 ARG H 1.0 1.8 5.5 1519 1032 A 79 GLU H A 80 THR HG2% 1.0 1.8 7.5 1520 1033 A 79 GLU HA A 80 THR H 1.0 1.8 3.2 1521 1034 A 80 THR H A 79 GLU HBy 1.0 1.8 4.2 1522 1034 A 79 GLU HBx A 80 THR H 1.0 1.8 4.2 1523 1035 A 80 THR H A 79 GLU HGy 1.0 1.8 4.2 1524 1035 A 79 GLU HGx A 80 THR H 1.0 1.8 4.2 1525 1036 A 79 GLU H A 89 VAL HGx% 1.0 1.8 7.5 1526 1037 A 79 GLU H A 89 VAL HGy% 1.0 1.8 7.5 1527 1038 A 79 GLU H A 90 CYS HBy 1.0 1.8 5.0 1528 1038 A 90 CYS HBx A 79 GLU H 1.0 1.8 5.0 1529 1039 A 79 GLU H A 90 CYS H 1.0 1.8 5.5 1530 1040 A 81 VAL HGx% A 80 THR H 1.0 1.8 7.5 1531 1041 A 80 THR H A 81 VAL H 1.0 1.8 5.5 1532 1042 A 80 THR HA A 81 VAL H 1.0 1.8 3.2 1533 1043 A 80 THR HB A 81 VAL H 1.0 1.8 3.2 1534 1044 A 80 THR HA A 88 CYS H 1.0 1.8 4.0 1535 1045 A 80 THR H A 89 VAL HA 1.0 1.8 5.5 1536 1046 A 90 CYS H A 80 THR HA 1.0 1.8 4.0 1537 1047 A 90 CYS H A 80 THR HG2% 1.0 1.8 6.0 1538 1048 A 81 VAL H A 82 LYS H 1.0 1.8 5.5 1539 1049 A 81 VAL HA A 82 LYS H 1.0 1.8 3.2 1540 1050 A 81 VAL HB A 82 LYS H 1.0 1.8 3.2 1541 1051 A 81 VAL HGx% A 82 LYS H 1.0 1.8 5.2 1542 1052 A 81 VAL HGy% A 82 LYS H 1.0 1.8 5.2 1543 1053 A 81 VAL HGy% A 83 ILE H 1.0 1.8 7.5 1544 1054 A 81 VAL H A 87 THR HA 1.0 1.8 5.5 1545 1055 A 81 VAL H A 87 THR HG2% 1.0 1.8 5.2 1546 1056 A 81 VAL H A 88 CYS H 1.0 1.8 3.2 1547 1057 A 81 VAL H A 88 CYS HBy 1.0 1.8 6.5 1548 1057 A 81 VAL H A 88 CYS HBx 1.0 1.8 6.5 1549 1058 A 81 VAL HGx% A 88 CYS H 1.0 1.8 6.0 1550 1059 A 81 VAL HGy% A 88 CYS H 1.0 1.8 6.0 1551 1060 A 89 VAL HA A 81 VAL H 1.0 1.8 4.0 1552 1061 A 89 VAL HGy% A 81 VAL H 1.0 1.8 7.5 1553 1062 A 81 VAL H A 95 TRP HZ3 1.0 1.8 3.2 1554 1063 A 95 TRP HE1 A 81 VAL HGx% 1.0 1.8 7.5 1555 1064 A 95 TRP HE1 A 81 VAL HGy% 1.0 1.8 7.5 1556 1065 A 82 LYS HA A 83 ILE H 1.0 1.8 3.2 1557 1066 A 83 ILE H A 82 LYS HGy 1.0 1.8 4.2 1558 1066 A 82 LYS HGx A 83 ILE H 1.0 1.8 4.2 1559 1067 A 88 CYS H A 82 LYS HA 1.0 1.8 3.2 1560 1068 A 83 ILE HG2% A 86 ASN H 1.0 1.8 7.5 1561 1069 A 87 THR HG2% A 83 ILE H 1.0 1.8 7.5 1562 1070 A 83 ILE H A 88 CYS HBy 1.0 1.8 6.5 1563 1070 A 88 CYS HBx A 83 ILE H 1.0 1.8 6.5 1564 1071 A 88 CYS H A 83 ILE H 1.0 1.8 5.5 1565 1072 A 95 TRP HE1 A 83 ILE HD1% 1.0 1.8 7.5 1566 1073 A 85 CYS H A 84 GLY HAy 1.0 1.8 4.2 1567 1073 A 84 GLY HAx A 85 CYS H 1.0 1.8 4.2 1568 1074 A 86 ASN H A 84 GLY HAy 1.0 1.8 6.5 1569 1074 A 84 GLY HAx A 86 ASN H 1.0 1.8 6.5 1570 1075 A 85 CYS H A 86 ASN HBy 1.0 1.8 6.5 1571 1075 A 86 ASN HBx A 85 CYS H 1.0 1.8 6.5 1572 1076 A 86 ASN H A 85 CYS H 1.0 1.8 3.2 1573 1077 A 86 ASN H A 85 CYS HBy 1.0 1.8 5.0 1574 1077 A 86 ASN H A 85 CYS HBx 1.0 1.8 5.0 1575 1078 A 85 CYS H A 102 CYS HBy 1.0 1.8 6.5 1576 1078 A 85 CYS H A 102 CYS HBx 1.0 1.8 6.5 1577 1079 A 86 ASN HA A 87 THR H 1.0 1.8 3.2 1578 1080 A 87 THR H A 86 ASN HBy 1.0 1.8 4.2 1579 1080 A 86 ASN HBx A 87 THR H 1.0 1.8 4.2 1580 1081 A 98 THR H A 86 ASN HBy 1.0 1.8 6.5 1581 1081 A 86 ASN HBx A 98 THR H 1.0 1.8 6.5 1582 1082 A 100 HIS H A 86 ASN HD22 1.0 1.8 7.5 1583 1082 A 86 ASN HD21 A 100 HIS H 1.0 1.8 7.5 1584 1083 A 88 CYS H A 87 THR H 1.0 1.8 5.5 1585 1084 A 88 CYS H A 87 THR HA 1.0 1.8 3.2 1586 1085 A 88 CYS H A 87 THR HB 1.0 1.8 4.2 1587 1086 A 88 CYS H A 87 THR HG2% 1.0 1.8 5.2 1588 1087 A 89 VAL H A 87 THR HG2% 1.0 1.8 7.5 1589 1088 A 87 THR H A 97 CYS HBy 1.0 1.8 6.5 1590 1088 A 87 THR H A 97 CYS HBx 1.0 1.8 6.5 1591 1089 A 87 THR H A 98 THR HG2% 1.0 1.8 5.2 1592 1090 A 87 THR HB A 98 THR H 1.0 1.8 5.5 1593 1091 A 88 CYS H A 89 VAL H 1.0 1.8 5.5 1594 1092 A 89 VAL H A 88 CYS HA 1.0 1.8 3.2 1595 1093 A 89 VAL H A 88 CYS HBy 1.0 1.8 5.0 1596 1093 A 89 VAL H A 88 CYS HBx 1.0 1.8 5.0 1597 1094 A 88 CYS H A 95 TRP HE3 1.0 1.8 5.5 1598 1095 A 95 TRP H A 88 CYS HBy 1.0 1.8 6.5 1599 1095 A 88 CYS HBx A 95 TRP H 1.0 1.8 6.5 1600 1096 A 88 CYS HA A 96 ASN H 1.0 1.8 5.5 1601 1097 A 96 ASN H A 88 CYS HBy 1.0 1.8 6.5 1602 1097 A 88 CYS HBx A 96 ASN H 1.0 1.8 6.5 1603 1098 A 88 CYS H A 97 CYS HA 1.0 1.8 5.5 1604 1099 A 88 CYS H A 98 THR H 1.0 1.8 5.5 1605 1100 A 88 CYS HA A 98 THR H 1.0 1.8 3.2 1606 1101 A 90 CYS H A 89 VAL H 1.0 1.8 5.5 1607 1102 A 90 CYS H A 89 VAL HA 1.0 1.8 3.2 1608 1103 A 90 CYS H A 89 VAL HB 1.0 1.8 5.5 1609 1104 A 90 CYS H A 89 VAL HGy% 1.0 1.8 5.2 1610 1105 A 90 CYS H A 89 VAL HGx% 1.0 1.8 5.2 1611 1106 A 89 VAL HGx% A 91 ARG H 1.0 1.8 7.5 1612 1107 A 89 VAL H A 95 TRP HE3 1.0 1.8 4.0 1613 1108 A 89 VAL H A 95 TRP HA 1.0 1.8 5.5 1614 1109 A 89 VAL H A 96 ASN H 1.0 1.8 3.2 1615 1110 A 89 VAL H A 96 ASN HBy 1.0 1.8 5.0 1616 1110 A 89 VAL H A 96 ASN HBx 1.0 1.8 5.0 1617 1111 A 89 VAL HB A 96 ASN H 1.0 1.8 5.5 1618 1112 A 89 VAL HGx% A 96 ASN H 1.0 1.8 6.0 1619 1113 A 89 VAL HGx% A 96 ASN HD22 1.0 1.8 9.5 1620 1113 A 89 VAL HGx% A 96 ASN HD21 1.0 1.8 9.5 1621 1114 A 89 VAL H A 97 CYS HA 1.0 1.8 3.9 1622 1115 A 89 VAL H A 97 CYS HBy 1.0 1.8 6.5 1623 1115 A 89 VAL H A 97 CYS HBx 1.0 1.8 6.5 1624 1116 A 89 VAL H A 98 THR H 1.0 1.8 5.5 1625 1117 A 90 CYS H A 91 ARG H 1.0 1.8 5.5 1626 1118 A 90 CYS HA A 91 ARG H 1.0 1.8 3.2 1627 1119 A 91 ARG H A 90 CYS HBy 1.0 1.8 6.5 1628 1119 A 90 CYS HBx A 91 ARG H 1.0 1.8 6.5 1629 1120 A 90 CYS HA A 94 LYS H 1.0 1.8 4.0 1630 1121 A 90 CYS H A 95 TRP HE3 1.0 1.8 3.2 1631 1122 A 90 CYS H A 95 TRP HZ3 1.0 1.8 3.2 1632 1123 A 90 CYS HA A 96 ASN H 1.0 1.8 4.0 1633 1124 A 91 ARG H A 92 ASP H 1.0 1.8 5.5 1634 1125 A 91 ARG HA A 92 ASP H 1.0 1.8 3.2 1635 1126 A 92 ASP H A 91 ARG HBy 1.0 1.8 4.2 1636 1126 A 91 ARG HBx A 92 ASP H 1.0 1.8 4.2 1637 1127 A 92 ASP H A 91 ARG HGy 1.0 1.8 5.0 1638 1127 A 91 ARG HGx A 92 ASP H 1.0 1.8 5.0 1639 1128 A 92 ASP H A 91 ARG HDy 1.0 1.8 6.5 1640 1128 A 91 ARG HDx A 92 ASP H 1.0 1.8 6.5 1641 1129 A 91 ARG H A 93 ARG H 1.0 1.8 5.5 1642 1130 A 91 ARG HA A 93 ARG H 1.0 1.8 4.0 1643 1131 A 93 ARG H A 91 ARG HBy 1.0 1.8 6.5 1644 1131 A 91 ARG HBx A 93 ARG H 1.0 1.8 6.5 1645 1132 A 91 ARG H A 94 LYS H 1.0 1.8 3.2 1646 1133 A 95 TRP HA A 91 ARG H 1.0 1.8 5.5 1647 1134 A 95 TRP HE3 A 91 ARG H 1.0 1.8 5.5 1648 1135 A 91 ARG H A 96 ASN HD22 1.0 1.8 7.5 1649 1135 A 91 ARG H A 96 ASN HD21 1.0 1.8 7.5 1650 1136 A 96 ASN H A 91 ARG H 1.0 1.8 5.5 1651 1137 A 91 ARG HBx A 96 ASN HD22 1.0 1.8 7.0 1652 1137 A 91 ARG HBy A 96 ASN HD22 1.0 1.8 7.0 1653 1137 A 96 ASN HD21 A 91 ARG HBy 1.0 1.8 7.0 1654 1137 A 91 ARG HBx A 96 ASN HD21 1.0 1.8 7.0 1655 1138 A 92 ASP H A 93 ARG H 1.0 1.8 3.2 1656 1139 A 93 ARG H A 92 ASP HA 1.0 1.8 3.2 1657 1140 A 93 ARG H A 92 ASP HBy 1.0 1.8 6.5 1658 1140 A 92 ASP HBx A 93 ARG H 1.0 1.8 6.5 1659 1141 A 94 LYS H A 92 ASP H 1.0 1.8 5.5 1660 1142 A 94 LYS H A 92 ASP HA 1.0 1.8 4.0 1661 1143 A 94 LYS H A 92 ASP HBy 1.0 1.8 6.5 1662 1143 A 94 LYS H A 92 ASP HBx 1.0 1.8 6.5 1663 1144 A 94 LYS H A 93 ARG H 1.0 1.8 3.2 1664 1145 A 93 ARG HA A 94 LYS H 1.0 1.8 3.2 1665 1146 A 94 LYS H A 93 ARG HBy 1.0 1.8 6.5 1666 1146 A 94 LYS H A 93 ARG HBx 1.0 1.8 6.5 1667 1147 A 94 LYS H A 95 TRP H 1.0 1.8 5.5 1668 1148 A 94 LYS HA A 95 TRP H 1.0 1.8 3.2 1669 1149 A 95 TRP H A 94 LYS HBy 1.0 1.8 4.2 1670 1149 A 94 LYS HBx A 95 TRP H 1.0 1.8 4.2 1671 1150 A 95 TRP H A 94 LYS HGy 1.0 1.8 5.0 1672 1150 A 95 TRP H A 94 LYS HGx 1.0 1.8 5.0 1673 1151 A 94 LYS H A 96 ASN HD22 1.0 1.8 7.5 1674 1151 A 94 LYS H A 96 ASN HD21 1.0 1.8 7.5 1675 1152 A 94 LYS HGy A 96 ASN HD22 1.0 1.8 8.5 1676 1152 A 94 LYS HGx A 96 ASN HD22 1.0 1.8 8.5 1677 1152 A 96 ASN HD21 A 94 LYS HGy 1.0 1.8 8.5 1678 1152 A 96 ASN HD21 A 94 LYS HGx 1.0 1.8 8.5 1679 1153 A 96 ASN H A 95 TRP H 1.0 1.8 5.5 1680 1154 A 95 TRP HA A 96 ASN H 1.0 1.8 3.2 1681 1155 A 96 ASN H A 95 TRP HBy 1.0 1.8 6.5 1682 1155 A 95 TRP HBx A 96 ASN H 1.0 1.8 6.5 1683 1156 A 95 TRP HE3 A 96 ASN H 1.0 1.8 3.2 1684 1157 A 97 CYS HA A 98 THR H 1.0 1.8 3.2 1685 1158 A 98 THR H A 97 CYS HBy 1.0 1.8 4.2 1686 1158 A 97 CYS HBx A 98 THR H 1.0 1.8 4.2 1687 1159 A 98 THR HA A 99 ASP H 1.0 1.8 3.2 1688 1160 A 99 ASP H A 98 THR HB 1.0 1.8 3.2 1689 1161 A 98 THR HG2% A 99 ASP H 1.0 1.8 5.2 1690 1162 A 98 THR HA A 100 HIS H 1.0 1.8 5.5 1691 1163 A 98 THR HB A 100 HIS H 1.0 1.8 4.0 1692 1164 A 98 THR HG2% A 100 HIS H 1.0 1.8 7.5 1693 1165 A 99 ASP H A 100 HIS H 1.0 1.8 3.2 1694 1166 A 100 HIS H A 99 ASP HBy 1.0 1.8 6.5 1695 1166 A 99 ASP HBx A 100 HIS H 1.0 1.8 6.5 1696 1167 A 100 HIS HA A 101 VAL H 1.0 1.8 3.2 1697 1168 A 101 VAL H A 100 HIS HBy 1.0 1.8 4.2 1698 1168 A 100 HIS HBx A 101 VAL H 1.0 1.8 4.2 1699 1169 A 99 ASP H A 100 HIS H 1.0 1.8 3.2 1700 1170 A 101 VAL HA A 102 CYS H 1.0 1.8 3.2 1701 1171 A 102 CYS H A 101 VAL HB 1.0 1.8 4.0 1702 1172 A 101 VAL HGx% A 102 CYS H 1.0 1.8 5.2 1703 1173 A 101 VAL HGy% A 102 CYS H 1.0 1.8 6.0 1704 1174 A 103 ASP H A 101 VAL HGx% 1.0 1.8 5.2 1705 1175 A 103 ASP H A 102 CYS H 1.0 1.8 4.0 1706 1176 A 102 CYS HA A 103 ASP H 1.0 1.8 3.2 1707 1177 A 103 ASP H A 102 CYS HBy 1.0 1.8 4.2 1708 1177 A 102 CYS HBx A 103 ASP H 1.0 1.8 4.2 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 7 ARG C A 8 PRO N A 8 PRO CA A 8 PRO C 1.0 -100.9 -30.9 PHI 2 2 A 8 PRO N A 8 PRO CA A 8 PRO C A 9 PRO N 1.0 108.7 178.7 PSI 3 3 A 8 PRO C A 9 PRO N A 9 PRO CA A 9 PRO C 1.0 -97.0 -27.0 PHI 4 4 A 9 PRO N A 9 PRO CA A 9 PRO C A 10 MET N 1.0 111.8 181.8 PSI 5 5 A 9 PRO C A 10 MET N A 10 MET CA A 10 MET C 1.0 -127.7 -57.7 PHI 6 6 A 10 MET N A 10 MET CA A 10 MET C A 11 VAL N 1.0 -58.3 11.7 PSI 7 7 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 LYS N 1.0 93.4 183.4 PSI 8 8 A 11 VAL C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -125.6 -55.6 PHI 9 9 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 LEU N 1.0 91.4 161.4 PSI 10 10 A 12 LYS C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -140.3 -70.3 PHI 11 11 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 VAL N 1.0 90.7 160.7 PSI 12 12 A 13 LEU C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -131.8 -61.8 PHI 13 13 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 CYS N 1.0 87.6 157.6 PSI 14 14 A 14 VAL C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -106.1 -36.1 PHI 15 15 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 PRO N 1.0 106.1 176.1 PSI 16 16 A 15 CYS C A 16 PRO N A 16 PRO CA A 16 PRO C 1.0 -94.5 -24.5 PHI 17 17 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 ALA N 1.0 107.5 177.5 PSI 18 18 A 16 PRO C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -110.9 -20.9 PHI 19 19 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 ASP N 1.0 -55.5 14.5 PSI 20 20 A 17 ALA C A 18 ASP N A 18 ASP CA A 18 ASP C 1.0 -119.8 -49.8 PHI 21 21 A 18 ASP N A 18 ASP CA A 18 ASP C A 19 ASN N 1.0 -30.6 39.4 PSI 22 22 A 18 ASP C A 19 ASN N A 19 ASN CA A 19 ASN C 1.0 21.5 111.5 PHI 23 23 A 19 ASN N A 19 ASN CA A 19 ASN C A 20 LEU N 1.0 -15.5 74.5 PSI 24 24 A 19 ASN C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -115.3 -35.3 PHI 25 25 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 ARG N 1.0 -59.2 20.8 PSI 26 26 A 20 LEU C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -149.3 -39.3 PHI 27 27 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 ALA N 1.0 -54.1 55.9 PSI 28 28 A 28 THR C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -144.2 -64.2 PHI 29 29 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 THR N 1.0 94.4 174.4 PSI 30 30 A 29 LYS C A 30 THR N A 30 THR CA A 30 THR C 1.0 -160.6 -90.6 PHI 31 31 A 30 THR N A 30 THR CA A 30 THR C A 31 CYS N 1.0 129.9 199.9 PSI 32 32 A 31 CYS C A 32 GLN N A 32 GLN CA A 32 GLN C 1.0 -103.0 -33.0 PHI 33 33 A 32 GLN N A 32 GLN CA A 32 GLN C A 33 ASN N 1.0 -56.0 14.0 PSI 34 34 A 32 GLN C A 33 ASN N A 33 ASN CA A 33 ASN C 1.0 -126.0 -56.0 PHI 35 35 A 33 ASN N A 33 ASN CA A 33 ASN C A 34 TYR N 1.0 -41.0 29.0 PSI 36 36 A 33 ASN C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -92.9 -22.9 PHI 37 37 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 ASP N 1.0 -72.3 -2.3 PSI 38 38 A 34 TYR C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -127.9 -57.9 PHI 39 39 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 LEU N 1.0 -34.2 35.8 PSI 40 40 A 35 ASP C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -129.0 -49.0 PHI 41 41 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 GLU N 1.0 94.0 174.0 PSI 42 42 A 36 LEU C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -149.3 -26.9 PHI 43 43 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 CYS N 1.0 94.0 164.0 PSI 44 44 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 MET N 1.0 104.8 180.6 PSI 45 45 A 43 CYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -156.1 -86.1 PHI 46 46 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 SER N 1.0 87.3 157.3 PSI 47 47 A 45 SER C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 -205.5 -75.7 PHI 48 48 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 CYS N 1.0 116.4 186.4 PSI 49 49 A 46 GLY C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -143.4 -73.4 PHI 50 50 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 LEU N 1.0 78.1 148.1 PSI 51 51 A 47 CYS C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -192.2 -67.0 PHI 52 52 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 CYS N 1.0 116.2 186.2 PSI 53 53 A 52 GLY C A 53 MET N A 53 MET CA A 53 MET C 1.0 -154.1 -84.1 PHI 54 54 A 53 MET N A 53 MET CA A 53 MET C A 54 VAL N 1.0 117.5 187.5 PSI 55 55 A 53 MET C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -165.7 -95.7 PHI 56 56 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ARG N 1.0 118.8 188.8 PSI 57 57 A 54 VAL C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -143.7 -73.7 PHI 58 58 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 HIS N 1.0 92.3 162.3 PSI 59 59 A 55 ARG C A 56 HIS N A 56 HIS CA A 56 HIS C 1.0 -167.6 -97.6 PHI 60 60 A 56 HIS N A 56 HIS CA A 56 HIS C A 57 GLU N 1.0 91.1 161.1 PSI 61 61 A 56 HIS C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 17.1 87.1 PHI 62 62 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 ASN N 1.0 5.2 75.2 PSI 63 63 A 57 GLU C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 33.4 103.4 PHI 64 64 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 ARG N 1.0 -21.5 48.5 PSI 65 65 A 58 ASN C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -172.9 -59.9 PHI 66 66 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 CYS N 1.0 121.4 191.4 PSI 67 67 A 59 ARG C A 60 CYS N A 60 CYS CA A 60 CYS C 1.0 -158.2 -88.2 PHI 68 68 A 60 CYS N A 60 CYS CA A 60 CYS C A 61 VAL N 1.0 112.8 182.8 PSI 69 69 A 60 CYS C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -168.0 -98.0 PHI 70 70 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 ALA N 1.0 118.6 188.6 PSI 71 71 A 61 VAL C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -112.5 -42.5 PHI 72 72 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 101.4 171.4 PSI 73 73 A 62 ALA C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -90.6 -20.6 PHI 74 74 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLU N 1.0 -73.2 -3.2 PSI 75 75 A 63 LEU C A 64 GLU N A 64 GLU CA A 64 GLU C 1.0 -101.2 -31.2 PHI 76 76 A 64 GLU N A 64 GLU CA A 64 GLU C A 65 ARG N 1.0 -52.6 17.4 PSI 77 77 A 64 GLU C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -127.8 -57.8 PHI 78 78 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 CYS N 1.0 -42.7 27.3 PSI 79 79 A 65 ARG C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -128.8 -58.8 PHI 80 80 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 PRO N 1.0 108.1 178.1 PSI 81 81 A 66 CYS C A 67 PRO N A 67 PRO CA A 67 PRO C 1.0 -99.5 -29.5 PHI 82 82 A 67 PRO N A 67 PRO CA A 67 PRO C A 68 CYS N 1.0 122.4 192.4 PSI 83 83 A 68 CYS C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -168.9 -98.9 PHI 84 84 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 HIS N 1.0 103.7 173.7 PSI 85 85 A 69 PHE C A 70 HIS N A 70 HIS CA A 70 HIS C 1.0 -179.6 -109.6 PHI 86 86 A 70 HIS N A 70 HIS CA A 70 HIS C A 71 GLN N 1.0 98.1 168.1 PSI 87 87 A 70 HIS C A 71 GLN N A 71 GLN CA A 71 GLN C 1.0 15.7 85.7 PHI 88 88 A 71 GLN N A 71 GLN CA A 71 GLN C A 72 GLY N 1.0 4.9 74.9 PSI 89 89 A 71 GLN C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 44.1 114.1 PHI 90 90 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 LYS N 1.0 -34.2 35.8 PSI 91 91 A 72 GLY C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -141.1 -71.1 PHI 92 92 A 73 LYS N A 73 LYS CA A 73 LYS C A 74 GLU N 1.0 108.5 178.5 PSI 93 93 A 73 LYS C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -127.0 -57.0 PHI 94 94 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 TYR N 1.0 102.3 172.3 PSI 95 95 A 74 GLU C A 75 TYR N A 75 TYR CA A 75 TYR C 1.0 -148.4 -78.4 PHI 96 96 A 75 TYR N A 75 TYR CA A 75 TYR C A 76 ALA N 1.0 107.2 177.2 PSI 97 97 A 75 TYR C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -115.5 -45.5 PHI 98 98 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 PRO N 1.0 104.5 174.5 PSI 99 99 A 76 ALA C A 77 PRO N A 77 PRO CA A 77 PRO C 1.0 -92.5 -22.5 PHI 100 100 A 77 PRO N A 77 PRO CA A 77 PRO C A 78 GLY N 1.0 101.9 171.9 PSI 101 101 A 77 PRO C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 57.1 127.1 PHI 102 102 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 GLU N 1.0 -47.8 22.2 PSI 103 103 A 79 GLU C A 80 THR N A 80 THR CA A 80 THR C 1.0 -176.9 -106.9 PHI 104 104 A 80 THR N A 80 THR CA A 80 THR C A 81 VAL N 1.0 126.1 196.1 PSI 105 105 A 80 THR C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -167.3 -97.3 PHI 106 106 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 LYS N 1.0 113.3 183.3 PSI 107 107 A 81 VAL C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -152.7 -82.7 PHI 108 108 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ILE N 1.0 93.6 163.6 PSI 109 109 A 82 LYS C A 83 ILE N A 83 ILE CA A 83 ILE C 1.0 -135.0 -65.0 PHI 110 110 A 83 ILE N A 83 ILE CA A 83 ILE C A 84 GLY N 1.0 85.2 155.2 PSI 111 111 A 85 CYS C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -125.4 -55.4 PHI 112 112 A 86 ASN C A 87 THR N A 87 THR CA A 87 THR C 1.0 -130.0 -60.0 PHI 113 113 A 87 THR N A 87 THR CA A 87 THR C A 88 CYS N 1.0 93.1 163.1 PSI 114 114 A 87 THR C A 88 CYS N A 88 CYS CA A 88 CYS C 1.0 -152.9 -82.9 PHI 115 115 A 88 CYS N A 88 CYS CA A 88 CYS C A 89 VAL N 1.0 105.2 175.2 PSI 116 116 A 88 CYS C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -156.3 -86.3 PHI 117 117 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 CYS N 1.0 94.5 164.5 PSI 118 118 A 89 VAL C A 90 CYS N A 90 CYS CA A 90 CYS C 1.0 -137.3 -67.3 PHI 119 119 A 90 CYS N A 90 CYS CA A 90 CYS C A 91 ARG N 1.0 81.7 151.7 PSI 120 120 A 90 CYS C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -165.0 -95.0 PHI 121 121 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 ASP N 1.0 79.5 149.5 PSI 122 122 A 91 ARG C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 18.7 88.7 PHI 123 123 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 ARG N 1.0 10.3 80.3 PSI 124 124 A 92 ASP C A 93 ARG N A 93 ARG CA A 93 ARG C 1.0 30.3 100.3 PHI 125 125 A 93 ARG N A 93 ARG CA A 93 ARG C A 94 LYS N 1.0 -18.5 51.5 PSI 126 126 A 93 ARG C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -143.6 -73.6 PHI 127 127 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 TRP N 1.0 116.3 186.3 PSI 128 128 A 94 LYS C A 95 TRP N A 95 TRP CA A 95 TRP C 1.0 -142.7 -72.7 PHI 129 129 A 95 TRP N A 95 TRP CA A 95 TRP C A 96 ASN N 1.0 89.7 159.7 PSI 130 130 A 95 TRP C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -130.4 -60.4 PHI 131 131 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 CYS N 1.0 95.1 165.1 PSI 132 132 A 97 CYS C A 98 THR N A 98 THR CA A 98 THR C 1.0 -125.8 -55.8 PHI 133 133 A 98 THR N A 98 THR CA A 98 THR C A 99 ASP N 1.0 -51.6 18.4 PSI 134 134 A 99 ASP C A 100 HIS N A 100 HIS CA A 100 HIS C 1.0 -159.9 -32.1 PHI 135 135 A 100 HIS N A 100 HIS CA A 100 HIS C A 101 VAL N 1.0 79.2 169.2 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 10 MET H A 10 MET N 1.0 . . . 2 2 A 12 LYS H A 12 LYS N 1.0 . . . 3 3 A 15 CYS H A 15 CYS N 1.0 . . . 4 4 A 31 CYS H A 31 CYS N 1.0 . . . 5 5 A 33 ASN H A 33 ASN N 1.0 . . . 6 6 A 34 TYR H A 34 TYR N 1.0 . . . 7 7 A 35 ASP H A 35 ASP N 1.0 . . . 8 8 A 36 LEU H A 36 LEU N 1.0 . . . 9 9 A 45 SER H A 45 SER N 1.0 . . . 10 10 A 46 GLY H A 46 GLY N 1.0 . . . 11 11 A 47 CYS H A 47 CYS N 1.0 . . . 12 12 A 53 MET H A 53 MET N 1.0 . . . 13 13 A 54 VAL H A 54 VAL N 1.0 . . . 14 14 A 56 HIS H A 56 HIS N 1.0 . . . 15 15 A 57 GLU H A 57 GLU N 1.0 . . . 16 16 A 59 ARG H A 59 ARG N 1.0 . . . 17 17 A 61 VAL H A 61 VAL N 1.0 . . . 18 18 A 62 ALA H A 62 ALA N 1.0 . . . 19 19 A 64 GLU H A 64 GLU N 1.0 . . . 20 20 A 65 ARG H A 65 ARG N 1.0 . . . 21 21 A 66 CYS H A 66 CYS N 1.0 . . . 22 22 A 68 CYS H A 68 CYS N 1.0 . . . 23 23 A 69 PHE H A 69 PHE N 1.0 . . . 24 24 A 70 HIS H A 70 HIS N 1.0 . . . 25 25 A 72 GLY H A 72 GLY N 1.0 . . . 26 26 A 73 LYS H A 73 LYS N 1.0 . . . 27 27 A 75 TYR H A 75 TYR N 1.0 . . . 28 28 A 78 GLY H A 78 GLY N 1.0 . . . 29 29 A 79 GLU H A 79 GLU N 1.0 . . . 30 30 A 80 THR H A 80 THR N 1.0 . . . 31 31 A 81 VAL H A 81 VAL N 1.0 . . . 32 32 A 82 LYS H A 82 LYS N 1.0 . . . 33 33 A 87 THR H A 87 THR N 1.0 . . . 34 34 A 88 CYS H A 88 CYS N 1.0 . . . 35 35 A 89 VAL H A 89 VAL N 1.0 . . . 36 36 A 90 CYS H A 90 CYS N 1.0 . . . 37 37 A 91 ARG H A 91 ARG N 1.0 . . . 38 38 A 93 ARG H A 93 ARG N 1.0 . . . 39 39 A 94 LYS H A 94 LYS N 1.0 . . . 40 40 A 96 ASN H A 96 ASN N 1.0 . . . 41 41 A 98 THR H A 98 THR N 1.0 . . . 42 42 A 10 MET H A 10 MET N 1.0 . . . 43 43 A 12 LYS H A 12 LYS N 1.0 . . . 44 44 A 14 VAL H A 14 VAL N 1.0 . . . 45 45 A 15 CYS H A 15 CYS N 1.0 . . . 46 46 A 29 LYS H A 29 LYS N 1.0 . . . 47 47 A 30 THR H A 30 THR N 1.0 . . . 48 48 A 31 CYS H A 31 CYS N 1.0 . . . 49 49 A 33 ASN H A 33 ASN N 1.0 . . . 50 50 A 34 TYR H A 34 TYR N 1.0 . . . 51 51 A 35 ASP H A 35 ASP N 1.0 . . . 52 52 A 36 LEU H A 36 LEU N 1.0 . . . 53 53 A 45 SER H A 45 SER N 1.0 . . . 54 54 A 46 GLY H A 46 GLY N 1.0 . . . 55 55 A 47 CYS H A 47 CYS N 1.0 . . . 56 56 A 48 LEU H A 48 LEU N 1.0 . . . 57 57 A 53 MET H A 53 MET N 1.0 . . . 58 58 A 54 VAL H A 54 VAL N 1.0 . . . 59 59 A 56 HIS H A 56 HIS N 1.0 . . . 60 60 A 57 GLU H A 57 GLU N 1.0 . . . 61 61 A 59 ARG H A 59 ARG N 1.0 . . . 62 62 A 60 CYS H A 60 CYS N 1.0 . . . 63 63 A 61 VAL H A 61 VAL N 1.0 . . . 64 64 A 62 ALA H A 62 ALA N 1.0 . . . 65 65 A 63 LEU H A 63 LEU N 1.0 . . . 66 66 A 64 GLU H A 64 GLU N 1.0 . . . 67 67 A 65 ARG H A 65 ARG N 1.0 . . . 68 68 A 66 CYS H A 66 CYS N 1.0 . . . 69 69 A 68 CYS H A 68 CYS N 1.0 . . . 70 70 A 69 PHE H A 69 PHE N 1.0 . . . 71 71 A 70 HIS H A 70 HIS N 1.0 . . . 72 72 A 72 GLY H A 72 GLY N 1.0 . . . 73 73 A 73 LYS H A 73 LYS N 1.0 . . . 74 74 A 74 GLU H A 74 GLU N 1.0 . . . 75 75 A 75 TYR H A 75 TYR N 1.0 . . . 76 76 A 78 GLY H A 78 GLY N 1.0 . . . 77 77 A 79 GLU H A 79 GLU N 1.0 . . . 78 78 A 80 THR H A 80 THR N 1.0 . . . 79 79 A 81 VAL H A 81 VAL N 1.0 . . . 80 80 A 82 LYS H A 82 LYS N 1.0 . . . 81 81 A 83 ILE H A 83 ILE N 1.0 . . . 82 82 A 87 THR H A 87 THR N 1.0 . . . 83 83 A 88 CYS H A 88 CYS N 1.0 . . . 84 84 A 89 VAL H A 89 VAL N 1.0 . . . 85 85 A 90 CYS H A 90 CYS N 1.0 . . . 86 86 A 91 ARG H A 91 ARG N 1.0 . . . 87 87 A 92 ASP H A 92 ASP N 1.0 . . . 88 88 A 93 ARG H A 93 ARG N 1.0 . . . 89 89 A 94 LYS H A 94 LYS N 1.0 . . . 90 90 A 95 TRP H A 95 TRP N 1.0 . . . 91 91 A 96 ASN H A 96 ASN N 1.0 . . . 92 92 A 98 THR H A 98 THR N 1.0 . . . 93 93 A 10 MET H A 9 PRO C 1.0 . . . 94 94 A 12 LYS H A 11 VAL C 1.0 . . . 95 95 A 14 VAL H A 13 LEU C 1.0 . . . 96 96 A 15 CYS H A 14 VAL C 1.0 . . . 97 97 A 29 LYS H A 28 THR C 1.0 . . . 98 98 A 30 THR H A 29 LYS C 1.0 . . . 99 99 A 31 CYS H A 30 THR C 1.0 . . . 100 100 A 33 ASN H A 32 GLN C 1.0 . . . 101 101 A 34 TYR H A 33 ASN C 1.0 . . . 102 102 A 35 ASP H A 34 TYR C 1.0 . . . 103 103 A 36 LEU H A 35 ASP C 1.0 . . . 104 104 A 45 SER H A 44 VAL C 1.0 . . . 105 105 A 46 GLY H A 45 SER C 1.0 . . . 106 106 A 47 CYS H A 46 GLY C 1.0 . . . 107 107 A 48 LEU H A 47 CYS C 1.0 . . . 108 108 A 53 MET H A 52 GLY C 1.0 . . . 109 109 A 54 VAL H A 53 MET C 1.0 . . . 110 110 A 56 HIS H A 55 ARG C 1.0 . . . 111 111 A 57 GLU H A 56 HIS C 1.0 . . . 112 112 A 59 ARG H A 58 ASN C 1.0 . . . 113 113 A 60 CYS H A 59 ARG C 1.0 . . . 114 114 A 61 VAL H A 60 CYS C 1.0 . . . 115 115 A 62 ALA H A 61 VAL C 1.0 . . . 116 116 A 64 GLU H A 63 LEU C 1.0 . . . 117 117 A 65 ARG H A 64 GLU C 1.0 . . . 118 118 A 66 CYS H A 65 ARG C 1.0 . . . 119 119 A 68 CYS H A 67 PRO C 1.0 . . . 120 120 A 69 PHE H A 68 CYS C 1.0 . . . 121 121 A 70 HIS H A 69 PHE C 1.0 . . . 122 122 A 72 GLY H A 71 GLN C 1.0 . . . 123 123 A 73 LYS H A 72 GLY C 1.0 . . . 124 124 A 74 GLU H A 73 LYS C 1.0 . . . 125 125 A 75 TYR H A 74 GLU C 1.0 . . . 126 126 A 78 GLY H A 77 PRO C 1.0 . . . 127 127 A 79 GLU H A 78 GLY C 1.0 . . . 128 128 A 80 THR H A 79 GLU C 1.0 . . . 129 129 A 81 VAL H A 80 THR C 1.0 . . . 130 130 A 82 LYS H A 81 VAL C 1.0 . . . 131 131 A 83 ILE H A 82 LYS C 1.0 . . . 132 132 A 87 THR H A 86 ASN C 1.0 . . . 133 133 A 88 CYS H A 87 THR C 1.0 . . . 134 134 A 89 VAL H A 88 CYS C 1.0 . . . 135 135 A 90 CYS H A 89 VAL C 1.0 . . . 136 136 A 91 ARG H A 90 CYS C 1.0 . . . 137 137 A 92 ASP H A 91 ARG C 1.0 . . . 138 138 A 93 ARG H A 92 ASP C 1.0 . . . 139 139 A 94 LYS H A 93 ARG C 1.0 . . . 140 140 A 95 TRP H A 94 LYS C 1.0 . . . 141 141 A 96 ASN H A 95 TRP C 1.0 . . . 142 142 A 98 THR H A 97 CYS C 1.0 . . . 143 143 A 10 MET N A 9 PRO C 1.0 . . . 144 144 A 12 LYS N A 11 VAL C 1.0 . . . 145 145 A 14 VAL N A 13 LEU C 1.0 . . . 146 146 A 15 CYS N A 14 VAL C 1.0 . . . 147 147 A 29 LYS N A 28 THR C 1.0 . . . 148 148 A 30 THR N A 29 LYS C 1.0 . . . 149 149 A 31 CYS N A 30 THR C 1.0 . . . 150 150 A 33 ASN N A 32 GLN C 1.0 . . . 151 151 A 34 TYR N A 33 ASN C 1.0 . . . 152 152 A 35 ASP N A 34 TYR C 1.0 . . . 153 153 A 36 LEU N A 35 ASP C 1.0 . . . 154 154 A 45 SER N A 44 VAL C 1.0 . . . 155 155 A 46 GLY N A 45 SER C 1.0 . . . 156 156 A 47 CYS N A 46 GLY C 1.0 . . . 157 157 A 48 LEU N A 47 CYS C 1.0 . . . 158 158 A 53 MET N A 52 GLY C 1.0 . . . 159 159 A 54 VAL N A 53 MET C 1.0 . . . 160 160 A 56 HIS N A 55 ARG C 1.0 . . . 161 161 A 57 GLU N A 56 HIS C 1.0 . . . 162 162 A 59 ARG N A 58 ASN C 1.0 . . . 163 163 A 60 CYS N A 59 ARG C 1.0 . . . 164 164 A 61 VAL N A 60 CYS C 1.0 . . . 165 165 A 62 ALA N A 61 VAL C 1.0 . . . 166 166 A 64 GLU N A 63 LEU C 1.0 . . . 167 167 A 65 ARG N A 64 GLU C 1.0 . . . 168 168 A 66 CYS N A 65 ARG C 1.0 . . . 169 169 A 68 CYS N A 67 PRO C 1.0 . . . 170 170 A 69 PHE N A 68 CYS C 1.0 . . . 171 171 A 70 HIS N A 69 PHE C 1.0 . . . 172 172 A 72 GLY N A 71 GLN C 1.0 . . . 173 173 A 73 LYS N A 72 GLY C 1.0 . . . 174 174 A 74 GLU N A 73 LYS C 1.0 . . . 175 175 A 75 TYR N A 74 GLU C 1.0 . . . 176 176 A 78 GLY N A 77 PRO C 1.0 . . . 177 177 A 79 GLU N A 78 GLY C 1.0 . . . 178 178 A 80 THR N A 79 GLU C 1.0 . . . 179 179 A 81 VAL N A 80 THR C 1.0 . . . 180 180 A 82 LYS N A 81 VAL C 1.0 . . . 181 181 A 83 ILE N A 82 LYS C 1.0 . . . 182 182 A 87 THR N A 86 ASN C 1.0 . . . 183 183 A 88 CYS N A 87 THR C 1.0 . . . 184 184 A 89 VAL N A 88 CYS C 1.0 . . . 185 185 A 90 CYS N A 89 VAL C 1.0 . . . 186 186 A 91 ARG N A 90 CYS C 1.0 . . . 187 187 A 92 ASP N A 91 ARG C 1.0 . . . 188 188 A 93 ARG N A 92 ASP C 1.0 . . . 189 189 A 94 LYS N A 93 ARG C 1.0 . . . 190 190 A 95 TRP N A 94 LYS C 1.0 . . . 191 191 A 96 ASN N A 95 TRP C 1.0 . . . 192 192 A 98 THR N A 97 CYS C 1.0 . . . 193 193 A 10 MET C A 10 MET CA 1.0 . . . 194 194 A 13 LEU C A 13 LEU CA 1.0 . . . 195 195 A 14 VAL C A 14 VAL CA 1.0 . . . 196 196 A 29 LYS C A 29 LYS CA 1.0 . . . 197 197 A 30 THR C A 30 THR CA 1.0 . . . 198 198 A 31 CYS C A 31 CYS CA 1.0 . . . 199 199 A 32 GLN C A 32 GLN CA 1.0 . . . 200 200 A 33 ASN C A 33 ASN CA 1.0 . . . 201 201 A 34 TYR C A 34 TYR CA 1.0 . . . 202 202 A 35 ASP C A 35 ASP CA 1.0 . . . 203 203 A 36 LEU C A 36 LEU CA 1.0 . . . 204 204 A 45 SER C A 45 SER CA 1.0 . . . 205 205 A 46 GLY C A 46 GLY CA 1.0 . . . 206 206 A 47 CYS C A 47 CYS CA 1.0 . . . 207 207 A 53 MET C A 53 MET CA 1.0 . . . 208 208 A 54 VAL C A 54 VAL CA 1.0 . . . 209 209 A 56 HIS C A 56 HIS CA 1.0 . . . 210 210 A 59 ARG C A 59 ARG CA 1.0 . . . 211 211 A 60 CYS C A 60 CYS CA 1.0 . . . 212 212 A 61 VAL C A 61 VAL CA 1.0 . . . 213 213 A 62 ALA C A 62 ALA CA 1.0 . . . 214 214 A 63 LEU C A 63 LEU CA 1.0 . . . 215 215 A 64 GLU C A 64 GLU CA 1.0 . . . 216 216 A 65 ARG C A 65 ARG CA 1.0 . . . 217 217 A 68 CYS C A 68 CYS CA 1.0 . . . 218 218 A 69 PHE C A 69 PHE CA 1.0 . . . 219 219 A 72 GLY C A 72 GLY CA 1.0 . . . 220 220 A 73 LYS C A 73 LYS CA 1.0 . . . 221 221 A 74 GLU C A 74 GLU CA 1.0 . . . 222 222 A 75 TYR C A 75 TYR CA 1.0 . . . 223 223 A 78 GLY C A 78 GLY CA 1.0 . . . 224 224 A 79 GLU C A 79 GLU CA 1.0 . . . 225 225 A 80 THR C A 80 THR CA 1.0 . . . 226 226 A 81 VAL C A 81 VAL CA 1.0 . . . 227 227 A 82 LYS C A 82 LYS CA 1.0 . . . 228 228 A 86 ASN C A 86 ASN CA 1.0 . . . 229 229 A 87 THR C A 87 THR CA 1.0 . . . 230 230 A 88 CYS C A 88 CYS CA 1.0 . . . 231 231 A 89 VAL C A 89 VAL CA 1.0 . . . 232 232 A 90 CYS C A 90 CYS CA 1.0 . . . 233 233 A 91 ARG C A 91 ARG CA 1.0 . . . 234 234 A 92 ASP C A 92 ASP CA 1.0 . . . 235 235 A 93 ARG C A 93 ARG CA 1.0 . . . 236 236 A 94 LYS C A 94 LYS CA 1.0 . . . 237 237 A 95 TRP C A 95 TRP CA 1.0 . . . 238 238 A 98 THR C A 98 THR CA 1.0 . . . 239 239 A 13 LEU HA A 13 LEU CA 1.0 . . . 240 240 A 14 VAL HA A 14 VAL CA 1.0 . . . 241 241 A 30 THR HA A 30 THR CA 1.0 . . . 242 242 A 34 TYR HA A 34 TYR CA 1.0 . . . 243 243 A 35 ASP HA A 35 ASP CA 1.0 . . . 244 244 A 36 LEU HA A 36 LEU CA 1.0 . . . 245 245 A 53 MET HA A 53 MET CA 1.0 . . . 246 246 A 54 VAL HA A 54 VAL CA 1.0 . . . 247 247 A 56 HIS HA A 56 HIS CA 1.0 . . . 248 248 A 59 ARG HA A 59 ARG CA 1.0 . . . 249 249 A 61 VAL HA A 61 VAL CA 1.0 . . . 250 250 A 62 ALA HA A 62 ALA CA 1.0 . . . 251 251 A 63 LEU HA A 63 LEU CA 1.0 . . . 252 252 A 64 GLU HA A 64 GLU CA 1.0 . . . 253 253 A 65 ARG HA A 65 ARG CA 1.0 . . . 254 254 A 68 CYS HA A 68 CYS CA 1.0 . . . 255 255 A 69 PHE HA A 69 PHE CA 1.0 . . . 256 256 A 73 LYS HA A 73 LYS CA 1.0 . . . 257 257 A 74 GLU HA A 74 GLU CA 1.0 . . . 258 258 A 75 TYR HA A 75 TYR CA 1.0 . . . 259 259 A 79 GLU HA A 79 GLU CA 1.0 . . . 260 260 A 80 THR HA A 80 THR CA 1.0 . . . 261 261 A 81 VAL HA A 81 VAL CA 1.0 . . . 262 262 A 82 LYS HA A 82 LYS CA 1.0 . . . 263 263 A 86 ASN HA A 86 ASN CA 1.0 . . . 264 264 A 87 THR HA A 87 THR CA 1.0 . . . 265 265 A 88 CYS HA A 88 CYS CA 1.0 . . . 266 266 A 90 CYS HA A 90 CYS CA 1.0 . . . 267 267 A 91 ARG HA A 91 ARG CA 1.0 . . . 268 268 A 92 ASP HA A 92 ASP CA 1.0 . . . 269 269 A 93 ARG HA A 93 ARG CA 1.0 . . . 270 270 A 94 LYS HA A 94 LYS CA 1.0 . . . 271 271 A 95 TRP HA A 95 TRP CA 1.0 . . . 272 272 A 98 THR HA A 98 THR CA 1.0 . . . 273 273 A 13 LEU CA A 13 LEU CB 1.0 . . . 274 274 A 14 VAL CA A 14 VAL CB 1.0 . . . 275 275 A 29 LYS CA A 29 LYS CB 1.0 . . . 276 276 A 30 THR CA A 30 THR CB 1.0 . . . 277 277 A 31 CYS CA A 31 CYS CB 1.0 . . . 278 278 A 32 GLN CA A 32 GLN CB 1.0 . . . 279 279 A 33 ASN CA A 33 ASN CB 1.0 . . . 280 280 A 34 TYR CA A 34 TYR CB 1.0 . . . 281 281 A 35 ASP CA A 35 ASP CB 1.0 . . . 282 282 A 36 LEU CA A 36 LEU CB 1.0 . . . 283 283 A 45 SER CA A 45 SER CB 1.0 . . . 284 284 A 47 CYS CA A 47 CYS CB 1.0 . . . 285 285 A 53 MET CA A 53 MET CB 1.0 . . . 286 286 A 54 VAL CA A 54 VAL CB 1.0 . . . 287 287 A 56 HIS CA A 56 HIS CB 1.0 . . . 288 288 A 59 ARG CA A 59 ARG CB 1.0 . . . 289 289 A 60 CYS CA A 60 CYS CB 1.0 . . . 290 290 A 61 VAL CA A 61 VAL CB 1.0 . . . 291 291 A 62 ALA CA A 62 ALA CB 1.0 . . . 292 292 A 63 LEU CA A 63 LEU CB 1.0 . . . 293 293 A 64 GLU CA A 64 GLU CB 1.0 . . . 294 294 A 65 ARG CA A 65 ARG CB 1.0 . . . 295 295 A 68 CYS CA A 68 CYS CB 1.0 . . . 296 296 A 69 PHE CA A 69 PHE CB 1.0 . . . 297 297 A 73 LYS CA A 73 LYS CB 1.0 . . . 298 298 A 74 GLU CA A 74 GLU CB 1.0 . . . 299 299 A 75 TYR CA A 75 TYR CB 1.0 . . . 300 300 A 79 GLU CA A 79 GLU CB 1.0 . . . 301 301 A 80 THR CA A 80 THR CB 1.0 . . . 302 302 A 81 VAL CA A 81 VAL CB 1.0 . . . 303 303 A 82 LYS CA A 82 LYS CB 1.0 . . . 304 304 A 86 ASN CA A 86 ASN CB 1.0 . . . 305 305 A 87 THR CA A 87 THR CB 1.0 . . . 306 306 A 88 CYS CA A 88 CYS CB 1.0 . . . 307 307 A 89 VAL CA A 89 VAL CB 1.0 . . . 308 308 A 90 CYS CA A 90 CYS CB 1.0 . . . 309 309 A 91 ARG CA A 91 ARG CB 1.0 . . . 310 310 A 92 ASP CA A 92 ASP CB 1.0 . . . 311 311 A 94 LYS CA A 94 LYS CB 1.0 . . . 312 312 A 95 TRP CA A 95 TRP CB 1.0 . . . 313 313 A 98 THR CA A 98 THR CB 1.0 . . . stop_ save_