data_nef_c15477_2jve 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 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 25 CYS SG 1 45 CYS SG 1 38 CYS SG 1 58 CYS SG 1 64 CYS SG 1 80 CYS SG 1 81 CYS SG 1 86 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 -2 MET start . . 2 A -1 GLY middle . false 3 A 0 SER middle . . 4 A 1 SER middle . . 5 A 2 HIS middle . . 6 A 3 HIS middle . . 7 A 4 HIS middle . . 8 A 5 HIS middle . . 9 A 6 HIS middle . . 10 A 7 HIS middle . . 11 A 8 SER middle . . 12 A 9 SER middle . . 13 A 10 GLY middle . false 14 A 11 LEU middle . . 15 A 12 VAL middle . . 16 A 13 PRO middle . false 17 A 14 ARG middle . . 18 A 15 GLY middle . false 19 A 16 SER middle . . 20 A 17 HIS middle . . 21 A 18 MET middle . . 22 A 19 ALA middle . . 23 A 20 LEU middle . . 24 A 21 LYS middle . . 25 A 22 CYS middle -HG . 26 A 23 PHE middle . . 27 A 24 THR middle . . 28 A 25 ARG middle . . 29 A 26 ASN middle . . 30 A 27 GLY middle . false 31 A 28 ASP middle . . 32 A 29 ASP middle . . 33 A 30 ARG middle . . 34 A 31 THR middle . . 35 A 32 VAL middle . . 36 A 33 THR middle . . 37 A 34 THR middle . . 38 A 35 CYS middle -HG . 39 A 36 ALA middle . . 40 A 37 GLU middle . . 41 A 38 GLU middle . . 42 A 39 GLN middle . . 43 A 40 THR middle . . 44 A 41 ARG middle . . 45 A 42 CYS middle -HG . 46 A 43 LEU middle . . 47 A 44 PHE middle . . 48 A 45 VAL middle . . 49 A 46 GLN middle . . 50 A 47 LEU middle . . 51 A 48 PRO middle . false 52 A 49 TYR middle . . 53 A 50 SER middle . . 54 A 51 GLU middle . . 55 A 52 ILE middle . . 56 A 53 GLN middle . . 57 A 54 GLU middle . . 58 A 55 CYS middle -HG . 59 A 56 LYS middle . . 60 A 57 THR middle . . 61 A 58 VAL middle . . 62 A 59 GLN middle . . 63 A 60 GLN middle . . 64 A 61 CYS middle -HG . 65 A 62 ALA middle . . 66 A 63 GLU middle . . 67 A 64 VAL middle . . 68 A 65 LEU middle . . 69 A 66 GLU middle . . 70 A 67 GLU middle . . 71 A 68 VAL middle . . 72 A 69 THR middle . . 73 A 70 ALA middle . . 74 A 71 ILE middle . . 75 A 72 GLY middle . false 76 A 73 TYR middle . . 77 A 74 PRO middle . false 78 A 75 ALA middle . . 79 A 76 LYS middle . . 80 A 77 CYS middle -HG . 81 A 78 CYS middle -HG . 82 A 79 CYS middle . . 83 A 80 GLU middle . . 84 A 81 ASP middle . . 85 A 82 LEU middle . . 86 A 83 CYS middle -HG . 87 A 84 ASN middle . . 88 A 85 ARG middle . . 89 A 86 SER middle . . 90 A 87 GLU middle . . 91 A 88 GLN 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 18 MET H H 1 8.231 0.02 A 18 MET HA H 1 4.413 0.02 A 18 MET HBx H 1 1.89 0.02 A 18 MET HBy H 1 2.01 0.02 A 18 MET HE% H 1 2.058 0.02 A 18 MET HGx H 1 2.427 0.02 A 18 MET HGy H 1 2.493 0.02 A 18 MET C C 13 175.109 0.4 A 18 MET CA C 13 55.026 0.4 A 18 MET CB C 13 33.117 0.4 A 18 MET CE C 13 17.072 0.4 A 18 MET CG C 13 31.98 0.4 A 18 MET N N 15 122.496 0.1 A 19 ALA H H 1 8.052 0.02 A 19 ALA HA H 1 4.191 0.02 A 19 ALA HB% H 1 1.256 0.02 A 19 ALA C C 13 176.151 0.4 A 19 ALA CA C 13 51.96 0.4 A 19 ALA CB C 13 19.784 0.4 A 19 ALA N N 15 125.891 0.1 A 20 LEU H H 1 8.117 0.02 A 20 LEU HA H 1 4.273 0.02 A 20 LEU HBx H 1 1.233 0.02 A 20 LEU HBy H 1 1.472 0.02 A 20 LEU HDx% H 1 0.71 0.02 A 20 LEU HDy% H 1 0.664 0.02 A 20 LEU HG H 1 1.427 0.02 A 20 LEU C C 13 174.307 0.4 A 20 LEU CA C 13 54.838 0.4 A 20 LEU CB C 13 44.574 0.4 A 20 LEU CDx C 13 21.976 0.4 A 20 LEU CDy C 13 26.177 0.4 A 20 LEU CG C 13 26.468 0.4 A 20 LEU N N 15 125.488 0.1 A 21 LYS H H 1 7.915 0.02 A 21 LYS HA H 1 5.287 0.02 A 21 LYS HB2 H 1 1.23 0.02 A 21 LYS HB3 H 1 1.23 0.02 A 21 LYS HD2 H 1 1.391 0.02 A 21 LYS HD3 H 1 1.391 0.02 A 21 LYS HE2 H 1 2.775 0.02 A 21 LYS HE3 H 1 2.775 0.02 A 21 LYS HGx H 1 1.215 0.02 A 21 LYS HGy H 1 1.355 0.02 A 21 LYS C C 13 175.901 0.4 A 21 LYS CA C 13 54.174 0.4 A 21 LYS CB C 13 34.841 0.4 A 21 LYS CD C 13 29.43 0.4 A 21 LYS CE C 13 41.699 0.4 A 21 LYS CG C 13 24.752 0.4 A 21 LYS N N 15 122.369 0.1 A 22 CYS H H 1 8.426 0.02 A 22 CYS HA H 1 4.886 0.02 A 22 CYS HBx H 1 2.458 0.02 A 22 CYS HBy H 1 3.059 0.02 A 22 CYS C C 13 175.309 0.4 A 22 CYS CA C 13 51.68 0.4 A 22 CYS CB C 13 41.829 0.4 A 22 CYS N N 15 117.505 0.1 A 23 PHE H H 1 8.96 0.02 A 23 PHE HA H 1 5.057 0.02 A 23 PHE HBx H 1 2.589 0.02 A 23 PHE HBy H 1 2.736 0.02 A 23 PHE HD1 H 1 6.968 0.02 A 23 PHE HD2 H 1 6.968 0.02 A 23 PHE C C 13 176.694 0.4 A 23 PHE CA C 13 60.302 0.4 A 23 PHE CB C 13 39.49 0.4 A 23 PHE CD1 C 13 131.38 0.4 A 23 PHE CD2 C 13 131.38 0.4 A 23 PHE N N 15 120.038 0.1 A 24 THR H H 1 9.071 0.02 A 24 THR HA H 1 4.96 0.02 A 24 THR HB H 1 4.096 0.02 A 24 THR HG2% H 1 1.148 0.02 A 24 THR C C 13 173.722 0.4 A 24 THR CA C 13 59.835 0.4 A 24 THR CB C 13 71.382 0.4 A 24 THR CG2 C 13 22.244 0.4 A 24 THR N N 15 114.266 0.1 A 25 ARG H H 1 8.398 0.02 A 25 ARG HA H 1 5.158 0.02 A 25 ARG HBx H 1 1.956 0.02 A 25 ARG HBy H 1 2.043 0.02 A 25 ARG HD2 H 1 3.256 0.02 A 25 ARG HD3 H 1 3.256 0.02 A 25 ARG HG2 H 1 1.656 0.02 A 25 ARG HG3 H 1 1.656 0.02 A 25 ARG C C 13 175.547 0.4 A 25 ARG CA C 13 54.586 0.4 A 25 ARG CB C 13 32.443 0.4 A 25 ARG CD C 13 43.312 0.4 A 25 ARG CG C 13 27.652 0.4 A 25 ARG N N 15 123.189 0.1 A 26 ASN H H 1 8.589 0.02 A 26 ASN HA H 1 4.938 0.02 A 26 ASN HBx H 1 2.644 0.02 A 26 ASN HBy H 1 2.835 0.02 A 26 ASN C C 13 175.273 0.4 A 26 ASN CA C 13 52.276 0.4 A 26 ASN CB C 13 39.66 0.4 A 26 ASN N N 15 125.242 0.1 A 27 GLY H H 1 9.046 0.02 A 27 GLY HAx H 1 3.649 0.02 A 27 GLY HAy H 1 3.996 0.02 A 27 GLY C C 13 174.707 0.4 A 27 GLY CA C 13 46.906 0.4 A 27 GLY N N 15 115.613 0.1 A 28 ASP H H 1 8.956 0.02 A 28 ASP HA H 1 4.648 0.02 A 28 ASP HBx H 1 2.514 0.02 A 28 ASP HBy H 1 2.832 0.02 A 28 ASP C C 13 175.67 0.4 A 28 ASP CA C 13 54.939 0.4 A 28 ASP CB C 13 41.505 0.4 A 28 ASP N N 15 126.791 0.1 A 29 ASP H H 1 7.973 0.02 A 29 ASP HA H 1 4.778 0.02 A 29 ASP HBx H 1 2.701 0.02 A 29 ASP HBy H 1 2.756 0.02 A 29 ASP C C 13 174.871 0.4 A 29 ASP CA C 13 54.192 0.4 A 29 ASP CB C 13 42.663 0.4 A 29 ASP N N 15 120.24 0.1 A 30 ARG H H 1 8.682 0.02 A 30 ARG HA H 1 5.02 0.02 A 30 ARG HBx H 1 1.626 0.02 A 30 ARG HBy H 1 1.815 0.02 A 30 ARG HDx H 1 2.719 0.02 A 30 ARG HDy H 1 2.934 0.02 A 30 ARG HGx H 1 1.52 0.02 A 30 ARG HGy H 1 1.589 0.02 A 30 ARG C C 13 175.569 0.4 A 30 ARG CA C 13 55.487 0.4 A 30 ARG CB C 13 31.962 0.4 A 30 ARG CD C 13 43.533 0.4 A 30 ARG CG C 13 27.336 0.4 A 30 ARG N N 15 125.183 0.1 A 31 THR H H 1 8.976 0.02 A 31 THR HA H 1 4.764 0.02 A 31 THR HB H 1 4.082 0.02 A 31 THR HG2% H 1 1.085 0.02 A 31 THR C C 13 172.745 0.4 A 31 THR CA C 13 59.891 0.4 A 31 THR CB C 13 71.522 0.4 A 31 THR CG2 C 13 20.988 0.4 A 31 THR N N 15 120.162 0.1 A 32 VAL H H 1 8.286 0.02 A 32 VAL HA H 1 4.11 0.02 A 32 VAL HB H 1 1.789 0.02 A 32 VAL HGx% H 1 0.601 0.02 A 32 VAL HGy% H 1 0.733 0.02 A 32 VAL C C 13 175.72 0.4 A 32 VAL CA C 13 62.838 0.4 A 32 VAL CB C 13 32.883 0.4 A 32 VAL CGx C 13 21.765 0.4 A 32 VAL CGy C 13 21.903 0.4 A 32 VAL N N 15 122.209 0.1 A 33 THR H H 1 8.749 0.02 A 33 THR HA H 1 4.486 0.02 A 33 THR HB H 1 3.795 0.02 A 33 THR HG2% H 1 1.075 0.02 A 33 THR C C 13 173.029 0.4 A 33 THR CA C 13 61.029 0.4 A 33 THR CB C 13 71.425 0.4 A 33 THR CG2 C 13 21.607 0.4 A 33 THR N N 15 125.259 0.1 A 34 THR H H 1 8.544 0.02 A 34 THR HA H 1 4.371 0.02 A 34 THR HB H 1 3.991 0.02 A 34 THR HG2% H 1 1.148 0.02 A 34 THR C C 13 173.839 0.4 A 34 THR CA C 13 62.892 0.4 A 34 THR CB C 13 68.156 0.4 A 34 THR CG2 C 13 22.182 0.4 A 34 THR N N 15 122.774 0.1 A 35 CYS H H 1 9.227 0.02 A 35 CYS HA H 1 4.516 0.02 A 35 CYS HBx H 1 2.836 0.02 A 35 CYS HBy H 1 3.807 0.02 A 35 CYS C C 13 174.923 0.4 A 35 CYS CA C 13 52.962 0.4 A 35 CYS CB C 13 37.439 0.4 A 35 CYS N N 15 129.056 0.1 A 36 ALA H H 1 8.113 0.02 A 36 ALA HA H 1 4.313 0.02 A 36 ALA HB% H 1 1.388 0.02 A 36 ALA C C 13 178.809 0.4 A 36 ALA CA C 13 52.125 0.4 A 36 ALA CB C 13 19.235 0.4 A 36 ALA N N 15 122.621 0.1 A 37 GLU H H 1 8.701 0.02 A 37 GLU HA H 1 3.826 0.02 A 37 GLU HBx H 1 1.927 0.02 A 37 GLU HBy H 1 2.029 0.02 A 37 GLU HG2 H 1 2.229 0.02 A 37 GLU HG3 H 1 2.229 0.02 A 37 GLU C C 13 177.999 0.4 A 37 GLU CA C 13 60.104 0.4 A 37 GLU CB C 13 29.712 0.4 A 37 GLU CG C 13 36.374 0.4 A 37 GLU N N 15 120.905 0.1 A 38 GLU H H 1 8.87 0.02 A 38 GLU HA H 1 4.233 0.02 A 38 GLU HBx H 1 2.064 0.02 A 38 GLU HBy H 1 2.117 0.02 A 38 GLU HG2 H 1 2.242 0.02 A 38 GLU HG3 H 1 2.242 0.02 A 38 GLU C C 13 176.79 0.4 A 38 GLU CA C 13 57.438 0.4 A 38 GLU CB C 13 28.813 0.4 A 38 GLU CG C 13 36.386 0.4 A 38 GLU N N 15 113.838 0.1 A 39 GLN H H 1 7.935 0.02 A 39 GLN HA H 1 4.069 0.02 A 39 GLN HBx H 1 1.598 0.02 A 39 GLN HBy H 1 2.749 0.02 A 39 GLN HGx H 1 2 0.02 A 39 GLN HGy H 1 2.237 0.02 A 39 GLN C C 13 174.033 0.4 A 39 GLN CA C 13 55.177 0.4 A 39 GLN CB C 13 28.144 0.4 A 39 GLN CG C 13 33.44 0.4 A 39 GLN N N 15 120.919 0.1 A 40 THR H H 1 6.846 0.02 A 40 THR HA H 1 4.34 0.02 A 40 THR HB H 1 4.581 0.02 A 40 THR HG2% H 1 1.148 0.02 A 40 THR C C 13 175.221 0.4 A 40 THR CA C 13 60.677 0.4 A 40 THR CB C 13 68.516 0.4 A 40 THR CG2 C 13 21.842 0.4 A 40 THR N N 15 109.859 0.1 A 41 ARG H H 1 8.496 0.02 A 41 ARG HA H 1 5.001 0.02 A 41 ARG HBx H 1 1.46 0.02 A 41 ARG HBy H 1 1.72 0.02 A 41 ARG HDx H 1 2.584 0.02 A 41 ARG HDy H 1 3.504 0.02 A 41 ARG HGx H 1 1.496 0.02 A 41 ARG HGy H 1 1.582 0.02 A 41 ARG C C 13 174.082 0.4 A 41 ARG CA C 13 52.838 0.4 A 41 ARG CB C 13 34.466 0.4 A 41 ARG CD C 13 43.473 0.4 A 41 ARG CG C 13 27.34 0.4 A 41 ARG N N 15 122 0.1 A 42 CYS H H 1 8.814 0.02 A 42 CYS HA H 1 5.566 0.02 A 42 CYS HBx H 1 2.949 0.02 A 42 CYS HBy H 1 3.021 0.02 A 42 CYS C C 13 173.806 0.4 A 42 CYS CA C 13 51.956 0.4 A 42 CYS CB C 13 38.526 0.4 A 42 CYS N N 15 115.378 0.1 A 43 LEU H H 1 9.234 0.02 A 43 LEU HA H 1 5.382 0.02 A 43 LEU HB2 H 1 1.66 0.02 A 43 LEU HB3 H 1 1.66 0.02 A 43 LEU HDx% H 1 0.844 0.02 A 43 LEU HDy% H 1 0.964 0.02 A 43 LEU HG H 1 1.291 0.02 A 43 LEU C C 13 176.639 0.4 A 43 LEU CA C 13 53.739 0.4 A 43 LEU CB C 13 46.024 0.4 A 43 LEU CDy C 13 28.548 0.4 A 43 LEU CDx C 13 21.939 0.4 A 43 LEU CG C 13 28.268 0.4 A 43 LEU N N 15 122.94 0.1 A 44 PHE H H 1 9.048 0.02 A 44 PHE HA H 1 5.7 0.02 A 44 PHE HB2 H 1 2.73 0.02 A 44 PHE HB3 H 1 2.73 0.02 A 44 PHE HD1 H 1 6.968 0.02 A 44 PHE HD2 H 1 6.968 0.02 A 44 PHE HE1 H 1 7.127 0.02 A 44 PHE HE2 H 1 7.127 0.02 A 44 PHE C C 13 173.708 0.4 A 44 PHE CA C 13 56.494 0.4 A 44 PHE CB C 13 44.246 0.4 A 44 PHE CD1 C 13 131.38 0.4 A 44 PHE CD2 C 13 131.38 0.4 A 44 PHE CE1 C 13 131.51 0.4 A 44 PHE CE2 C 13 131.51 0.4 A 44 PHE N N 15 128.522 0.1 A 45 VAL H H 1 8.086 0.02 A 45 VAL HA H 1 4.234 0.02 A 45 VAL HB H 1 1.678 0.02 A 45 VAL HGx% H 1 0.764 0.02 A 45 VAL HGy% H 1 0.82 0.02 A 45 VAL C C 13 173.728 0.4 A 45 VAL CA C 13 61.11 0.4 A 45 VAL CB C 13 36.121 0.4 A 45 VAL CGy C 13 21.955 0.4 A 45 VAL CGx C 13 20.912 0.4 A 45 VAL N N 15 124.455 0.1 A 46 GLN H H 1 8.391 0.02 A 46 GLN HA H 1 4.155 0.02 A 46 GLN HB2 H 1 2.121 0.02 A 46 GLN HB3 H 1 2.121 0.02 A 46 GLN HGx H 1 2.091 0.02 A 46 GLN HGy H 1 2.159 0.02 A 46 GLN C C 13 174.214 0.4 A 46 GLN CA C 13 54.491 0.4 A 46 GLN CB C 13 29.986 0.4 A 46 GLN CG C 13 34.396 0.4 A 46 GLN N N 15 126.537 0.1 A 47 LEU H H 1 7.646 0.02 A 47 LEU HA H 1 3.856 0.02 A 47 LEU HB2 H 1 1.244 0.02 A 47 LEU HB3 H 1 1.244 0.02 A 47 LEU HDx% H 1 0.446 0.02 A 47 LEU HDy% H 1 0.552 0.02 A 47 LEU HG H 1 1.046 0.02 A 47 LEU C C 13 175.649 0.4 A 47 LEU CA C 13 53.706 0.4 A 47 LEU CB C 13 39.821 0.4 A 47 LEU CDx C 13 23.903 0.4 A 47 LEU CDy C 13 25.27 0.4 A 47 LEU CG C 13 28.013 0.4 A 47 LEU N N 15 127.637 0.1 A 48 PRO HA H 1 3.921 0.02 A 48 PRO HBx H 1 1.35 0.02 A 48 PRO HBy H 1 2.013 0.02 A 48 PRO HDx H 1 2.982 0.02 A 48 PRO HDy H 1 3.318 0.02 A 48 PRO HGx H 1 1.846 0.02 A 48 PRO HGy H 1 2.056 0.02 A 48 PRO C C 13 177.492 0.4 A 48 PRO CA C 13 65.923 0.4 A 48 PRO CB C 13 31.509 0.4 A 48 PRO CD C 13 49.964 0.4 A 48 PRO CG C 13 28.17 0.4 A 49 TYR H H 1 7.517 0.02 A 49 TYR HA H 1 4.79 0.02 A 49 TYR HBx H 1 2.781 0.02 A 49 TYR HBy H 1 3.221 0.02 A 49 TYR HD1 H 1 7.051 0.02 A 49 TYR HD2 H 1 7.051 0.02 A 49 TYR HE1 H 1 6.781 0.02 A 49 TYR HE2 H 1 6.781 0.02 A 49 TYR C C 13 175.214 0.4 A 49 TYR CA C 13 55.767 0.4 A 49 TYR CB C 13 39.277 0.4 A 49 TYR CD1 C 13 133.79 0.4 A 49 TYR CD2 C 13 133.79 0.4 A 49 TYR CE1 C 13 118.21 0.4 A 49 TYR CE2 C 13 118.21 0.4 A 49 TYR N N 15 109.643 0.1 A 50 SER H H 1 6.986 0.02 A 50 SER HA H 1 4.409 0.02 A 50 SER HBx H 1 3.629 0.02 A 50 SER HBy H 1 3.858 0.02 A 50 SER C C 13 171.925 0.4 A 50 SER CA C 13 57.189 0.4 A 50 SER CB C 13 63.786 0.4 A 50 SER N N 15 112.994 0.1 A 51 GLU H H 1 7.89 0.02 A 51 GLU HA H 1 4.903 0.02 A 51 GLU HB2 H 1 1.746 0.02 A 51 GLU HB3 H 1 1.746 0.02 A 51 GLU HG2 H 1 2.158 0.02 A 51 GLU HG3 H 1 2.158 0.02 A 51 GLU C C 13 175.536 0.4 A 51 GLU CA C 13 54.722 0.4 A 51 GLU CB C 13 33.225 0.4 A 51 GLU CG C 13 36.553 0.4 A 51 GLU N N 15 115.33 0.1 A 52 ILE H H 1 8.6 0.02 A 52 ILE HA H 1 4.302 0.02 A 52 ILE HB H 1 1.447 0.02 A 52 ILE HD1% H 1 0.717 0.02 A 52 ILE HG1x H 1 0.997 0.02 A 52 ILE HG1y H 1 1.32 0.02 A 52 ILE HG2% H 1 0.824 0.02 A 52 ILE C C 13 175.783 0.4 A 52 ILE CA C 13 60.36 0.4 A 52 ILE CB C 13 39.228 0.4 A 52 ILE CD1 C 13 12.327 0.4 A 52 ILE CG1 C 13 26.902 0.4 A 52 ILE CG2 C 13 17.455 0.4 A 52 ILE N N 15 122.129 0.1 A 53 GLN H H 1 8.573 0.02 A 53 GLN HA H 1 5.394 0.02 A 53 GLN HBx H 1 1.875 0.02 A 53 GLN HBy H 1 1.984 0.02 A 53 GLN HGx H 1 2.173 0.02 A 53 GLN HGy H 1 2.73 0.02 A 53 GLN C C 13 174.379 0.4 A 53 GLN CA C 13 54.79 0.4 A 53 GLN CB C 13 33.315 0.4 A 53 GLN CG C 13 36.268 0.4 A 53 GLN N N 15 126.768 0.1 A 54 GLU H H 1 7.782 0.02 A 54 GLU HA H 1 4.967 0.02 A 54 GLU HBx H 1 1.636 0.02 A 54 GLU HBy H 1 2.504 0.02 A 54 GLU HGx H 1 2.183 0.02 A 54 GLU HGy H 1 2.349 0.02 A 54 GLU C C 13 176.345 0.4 A 54 GLU CA C 13 55.405 0.4 A 54 GLU CB C 13 36.08 0.4 A 54 GLU CG C 13 36.147 0.4 A 54 GLU N N 15 117.99 0.1 A 55 CYS H H 1 8.78 0.02 A 55 CYS HA H 1 5.145 0.02 A 55 CYS HBx H 1 2.621 0.02 A 55 CYS HBy H 1 3.016 0.02 A 55 CYS C C 13 175.293 0.4 A 55 CYS CA C 13 57.749 0.4 A 55 CYS CB C 13 45.523 0.4 A 55 CYS N N 15 119.662 0.1 A 56 LYS H H 1 9.277 0.02 A 56 LYS HA H 1 4.896 0.02 A 56 LYS HBx H 1 1.319 0.02 A 56 LYS HBy H 1 2.108 0.02 A 56 LYS HDx H 1 1.733 0.02 A 56 LYS HDy H 1 1.954 0.02 A 56 LYS HE2 H 1 2.667 0.02 A 56 LYS HE3 H 1 2.777 0.02 A 56 LYS HG2 H 1 1.232 0.02 A 56 LYS HG3 H 1 1.232 0.02 A 56 LYS C C 13 176.049 0.4 A 56 LYS CA C 13 53.903 0.4 A 56 LYS CB C 13 40.637 0.4 A 56 LYS CD C 13 28.628 0.4 A 56 LYS CE C 13 42.088 0.4 A 56 LYS CG C 13 25.62 0.4 A 56 LYS N N 15 120.535 0.1 A 57 THR H H 1 7.997 0.02 A 57 THR HA H 1 4.876 0.02 A 57 THR HB H 1 4.805 0.02 A 57 THR HG2% H 1 1.269 0.02 A 57 THR C C 13 175.637 0.4 A 57 THR CA C 13 61.017 0.4 A 57 THR CB C 13 70.774 0.4 A 57 THR CG2 C 13 21.396 0.4 A 57 THR N N 15 108.91 0.1 A 58 VAL H H 1 8.689 0.02 A 58 VAL HA H 1 3.477 0.02 A 58 VAL HB H 1 1.978 0.02 A 58 VAL HGx% H 1 0.932 0.02 A 58 VAL HGy% H 1 0.984 0.02 A 58 VAL C C 13 178.541 0.4 A 58 VAL CA C 13 67.024 0.4 A 58 VAL CB C 13 31.751 0.4 A 58 VAL CGx C 13 20.733 0.4 A 58 VAL CGy C 13 22.524 0.4 A 58 VAL N N 15 121.313 0.1 A 59 GLN H H 1 8.564 0.02 A 59 GLN HA H 1 4.062 0.02 A 59 GLN HBx H 1 1.906 0.02 A 59 GLN HBy H 1 2.1 0.02 A 59 GLN HG2 H 1 2.395 0.02 A 59 GLN HG3 H 1 2.395 0.02 A 59 GLN C C 13 178.871 0.4 A 59 GLN CA C 13 58.993 0.4 A 59 GLN CB C 13 28.085 0.4 A 59 GLN CG C 13 33.506 0.4 A 59 GLN N N 15 119.395 0.1 A 60 GLN H H 1 7.644 0.02 A 60 GLN HA H 1 4.082 0.02 A 60 GLN HBx H 1 1.904 0.02 A 60 GLN HBy H 1 2.155 0.02 A 60 GLN HG2 H 1 2.462 0.02 A 60 GLN HG3 H 1 2.462 0.02 A 60 GLN C C 13 179.023 0.4 A 60 GLN CA C 13 58.106 0.4 A 60 GLN CB C 13 29.283 0.4 A 60 GLN CG C 13 34.299 0.4 A 60 GLN N N 15 116.638 0.1 A 61 CYS H H 1 8.543 0.02 A 61 CYS HA H 1 3.951 0.02 A 61 CYS HBx H 1 2.991 0.02 A 61 CYS HBy H 1 3.429 0.02 A 61 CYS C C 13 176.171 0.4 A 61 CYS CA C 13 64.735 0.4 A 61 CYS CB C 13 40.828 0.4 A 61 CYS N N 15 118.614 0.1 A 62 ALA H H 1 7.791 0.02 A 62 ALA HA H 1 4.021 0.02 A 62 ALA HB% H 1 1.501 0.02 A 62 ALA C C 13 180.353 0.4 A 62 ALA CA C 13 55.249 0.4 A 62 ALA CB C 13 18.069 0.4 A 62 ALA N N 15 119.479 0.1 A 63 GLU H H 1 7.685 0.02 A 63 GLU HA H 1 4.041 0.02 A 63 GLU HBx H 1 2.054 0.02 A 63 GLU HBy H 1 2.167 0.02 A 63 GLU HGx H 1 2.258 0.02 A 63 GLU HGy H 1 2.5 0.02 A 63 GLU C C 13 179.701 0.4 A 63 GLU CA C 13 59.44 0.4 A 63 GLU CB C 13 29.735 0.4 A 63 GLU CG C 13 36.519 0.4 A 63 GLU N N 15 117.981 0.1 A 64 VAL H H 1 7.795 0.02 A 64 VAL HA H 1 3.826 0.02 A 64 VAL HB H 1 2.079 0.02 A 64 VAL HGx% H 1 0.938 0.02 A 64 VAL HGy% H 1 1.056 0.02 A 64 VAL C C 13 178.078 0.4 A 64 VAL CA C 13 66.262 0.4 A 64 VAL CB C 13 31.703 0.4 A 64 VAL CGx C 13 22.454 0.4 A 64 VAL CGy C 13 22.479 0.4 A 64 VAL N N 15 120.422 0.1 A 65 LEU H H 1 8.563 0.02 A 65 LEU HA H 1 3.897 0.02 A 65 LEU HBx H 1 1.726 0.02 A 65 LEU HBy H 1 1.83 0.02 A 65 LEU HDx% H 1 0.776 0.02 A 65 LEU HDy% H 1 0.796 0.02 A 65 LEU HG H 1 1.701 0.02 A 65 LEU C C 13 180.593 0.4 A 65 LEU CA C 13 58.495 0.4 A 65 LEU CB C 13 41.633 0.4 A 65 LEU CDx C 13 24.934 0.4 A 65 LEU CDy C 13 25.426 0.4 A 65 LEU CG C 13 26.941 0.4 A 65 LEU N N 15 119.314 0.1 A 66 GLU H H 1 8.071 0.02 A 66 GLU HA H 1 3.947 0.02 A 66 GLU HB2 H 1 2.122 0.02 A 66 GLU HB3 H 1 2.122 0.02 A 66 GLU HGx H 1 2.293 0.02 A 66 GLU HGy H 1 2.375 0.02 A 66 GLU C C 13 178.591 0.4 A 66 GLU CA C 13 59.727 0.4 A 66 GLU CB C 13 29.549 0.4 A 66 GLU CG C 13 36.167 0.4 A 66 GLU N N 15 120.124 0.1 A 67 GLU H H 1 7.471 0.02 A 67 GLU HA H 1 4.111 0.02 A 67 GLU HB2 H 1 2.226 0.02 A 67 GLU HB3 H 1 2.226 0.02 A 67 GLU HGx H 1 2.146 0.02 A 67 GLU HGy H 1 2.38 0.02 A 67 GLU C C 13 179.873 0.4 A 67 GLU CA C 13 59.439 0.4 A 67 GLU CB C 13 30.021 0.4 A 67 GLU CG C 13 36.023 0.4 A 67 GLU N N 15 119.545 0.1 A 68 VAL H H 1 8.79 0.02 A 68 VAL HA H 1 4.137 0.02 A 68 VAL HB H 1 2.406 0.02 A 68 VAL HGx% H 1 1.111 0.02 A 68 VAL HGy% H 1 1.13 0.02 A 68 VAL C C 13 178.818 0.4 A 68 VAL CA C 13 64.321 0.4 A 68 VAL CB C 13 31.23 0.4 A 68 VAL CGy C 13 21.723 0.4 A 68 VAL CGx C 13 19.916 0.4 A 68 VAL N N 15 111.497 0.1 A 69 THR H H 1 8.231 0.02 A 69 THR HA H 1 4.161 0.02 A 69 THR HB H 1 4.243 0.02 A 69 THR HG2% H 1 1.332 0.02 A 69 THR C C 13 177.502 0.4 A 69 THR CA C 13 66.179 0.4 A 69 THR CB C 13 68.77 0.4 A 69 THR CG2 C 13 21.286 0.4 A 69 THR N N 15 118.078 0.1 A 70 ALA H H 1 7.177 0.02 A 70 ALA HA H 1 4.139 0.02 A 70 ALA HB% H 1 1.502 0.02 A 70 ALA C C 13 179.116 0.4 A 70 ALA CA C 13 54.69 0.4 A 70 ALA CB C 13 18.039 0.4 A 70 ALA N N 15 123.757 0.1 A 71 ILE H H 1 6.874 0.02 A 71 ILE HA H 1 3.988 0.02 A 71 ILE HB H 1 1.559 0.02 A 71 ILE HD1% H 1 0.71 0.02 A 71 ILE HG1x H 1 0.989 0.02 A 71 ILE HG1y H 1 1.233 0.02 A 71 ILE HG2% H 1 0.521 0.02 A 71 ILE C C 13 176.201 0.4 A 71 ILE CA C 13 61.927 0.4 A 71 ILE CB C 13 38.431 0.4 A 71 ILE CD1 C 13 13.747 0.4 A 71 ILE CG1 C 13 27.418 0.4 A 71 ILE CG2 C 13 17.437 0.4 A 71 ILE N N 15 113.131 0.1 A 72 GLY H H 1 7.476 0.02 A 72 GLY HAx H 1 3.663 0.02 A 72 GLY HAy H 1 4.166 0.02 A 72 GLY C C 13 174.832 0.4 A 72 GLY CA C 13 45.144 0.4 A 72 GLY N N 15 106.405 0.1 A 73 TYR H H 1 7.34 0.02 A 73 TYR HA H 1 5.184 0.02 A 73 TYR HBx H 1 2.474 0.02 A 73 TYR HBy H 1 3.215 0.02 A 73 TYR HD1 H 1 6.844 0.02 A 73 TYR HD2 H 1 6.844 0.02 A 73 TYR HE1 H 1 6.747 0.02 A 73 TYR HE2 H 1 6.747 0.02 A 73 TYR C C 13 173.889 0.4 A 73 TYR CA C 13 52.922 0.4 A 73 TYR CB C 13 36.723 0.4 A 73 TYR CD1 C 13 131.42 0.4 A 73 TYR CD2 C 13 131.42 0.4 A 73 TYR CE1 C 13 118.51 0.4 A 73 TYR CE2 C 13 118.51 0.4 A 73 TYR N N 15 122.416 0.1 A 74 PRO HA H 1 4.394 0.02 A 74 PRO HBx H 1 1.929 0.02 A 74 PRO HBy H 1 2.409 0.02 A 74 PRO HDx H 1 4.04 0.02 A 74 PRO HDy H 1 4.224 0.02 A 74 PRO HGx H 1 2.03 0.02 A 74 PRO HGy H 1 2.172 0.02 A 74 PRO C C 13 175.722 0.4 A 74 PRO CA C 13 63.242 0.4 A 74 PRO CB C 13 32.46 0.4 A 74 PRO CD C 13 50.959 0.4 A 74 PRO CG C 13 27.912 0.4 A 75 ALA H H 1 7.778 0.02 A 75 ALA HA H 1 5.239 0.02 A 75 ALA HB% H 1 1.367 0.02 A 75 ALA C C 13 176.207 0.4 A 75 ALA CA C 13 51.422 0.4 A 75 ALA CB C 13 25.258 0.4 A 75 ALA N N 15 122.638 0.1 A 76 LYS H H 1 9.213 0.02 A 76 LYS HA H 1 4.632 0.02 A 76 LYS HBx H 1 1.743 0.02 A 76 LYS HBy H 1 1.948 0.02 A 76 LYS HD2 H 1 1.645 0.02 A 76 LYS HD3 H 1 1.645 0.02 A 76 LYS HE2 H 1 2.857 0.02 A 76 LYS HE3 H 1 2.89 0.02 A 76 LYS HGx H 1 1.176 0.02 A 76 LYS HGy H 1 1.376 0.02 A 76 LYS C C 13 173.669 0.4 A 76 LYS CA C 13 55.912 0.4 A 76 LYS CB C 13 36.309 0.4 A 76 LYS CD C 13 29.679 0.4 A 76 LYS CE C 13 42.35 0.4 A 76 LYS CG C 13 24.609 0.4 A 76 LYS N N 15 115.751 0.1 A 77 CYS H H 1 8.602 0.02 A 77 CYS HA H 1 5.535 0.02 A 77 CYS HBx H 1 2.698 0.02 A 77 CYS HBy H 1 3.201 0.02 A 77 CYS C C 13 174.029 0.4 A 77 CYS CA C 13 56.029 0.4 A 77 CYS CB C 13 47.796 0.4 A 77 CYS N N 15 119.633 0.1 A 78 CYS H H 1 9.428 0.02 A 78 CYS HA H 1 5.391 0.02 A 78 CYS HBx H 1 3.148 0.02 A 78 CYS HBy H 1 3.805 0.02 A 78 CYS C C 13 173.98 0.4 A 78 CYS CA C 13 54.237 0.4 A 78 CYS CB C 13 47.557 0.4 A 78 CYS N N 15 120.091 0.1 A 79 CYS H H 1 9.291 0.02 A 79 CYS HA H 1 5.134 0.02 A 79 CYS HBx H 1 2.98 0.02 A 79 CYS HBy H 1 3.827 0.02 A 79 CYS C C 13 172.349 0.4 A 79 CYS CA C 13 56.628 0.4 A 79 CYS CB C 13 46.122 0.4 A 79 CYS N N 15 117.137 0.1 A 80 GLU H H 1 7.283 0.02 A 80 GLU HA H 1 4.625 0.02 A 80 GLU HBx H 1 1.827 0.02 A 80 GLU HBy H 1 1.993 0.02 A 80 GLU HG2 H 1 2.248 0.02 A 80 GLU HG3 H 1 2.248 0.02 A 80 GLU C C 13 174.435 0.4 A 80 GLU CA C 13 54.873 0.4 A 80 GLU CB C 13 33.106 0.4 A 80 GLU CG C 13 36.605 0.4 A 80 GLU N N 15 120.821 0.1 A 81 ASP H H 1 8.433 0.02 A 81 ASP HA H 1 4.956 0.02 A 81 ASP HBx H 1 2.242 0.02 A 81 ASP HBy H 1 2.433 0.02 A 81 ASP C C 13 178.149 0.4 A 81 ASP CA C 13 55.409 0.4 A 81 ASP CB C 13 40.817 0.4 A 81 ASP N N 15 121.789 0.1 A 82 LEU H H 1 9.244 0.02 A 82 LEU HA H 1 3.308 0.02 A 82 LEU HBx H 1 1.475 0.02 A 82 LEU HBy H 1 1.845 0.02 A 82 LEU HDy% H 1 0.63 0.02 A 82 LEU HG H 1 0.948 0.02 A 82 LEU C C 13 176.858 0.4 A 82 LEU CA C 13 56.047 0.4 A 82 LEU CB C 13 36.885 0.4 A 82 LEU CDy C 13 25.025 0.4 A 82 LEU CG C 13 27.152 0.4 A 82 LEU N N 15 114.422 0.1 A 83 CYS H H 1 8.005 0.02 A 83 CYS HA H 1 4.547 0.02 A 83 CYS HB2 H 1 3.531 0.02 A 83 CYS HB3 H 1 3.531 0.02 A 83 CYS C C 13 174.632 0.4 A 83 CYS CA C 13 57.206 0.4 A 83 CYS CB C 13 47.155 0.4 A 83 CYS N N 15 112.558 0.1 A 84 ASN H H 1 8.859 0.02 A 84 ASN HA H 1 4.526 0.02 A 84 ASN HBx H 1 2.303 0.02 A 84 ASN HBy H 1 3.154 0.02 A 84 ASN C C 13 172.146 0.4 A 84 ASN CA C 13 52.617 0.4 A 84 ASN CB C 13 36.673 0.4 A 84 ASN N N 15 119.985 0.1 A 85 ARG H H 1 7.353 0.02 A 85 ARG HA H 1 3.734 0.02 A 85 ARG HBx H 1 1.624 0.02 A 85 ARG HBy H 1 1.71 0.02 A 85 ARG HD2 H 1 3.115 0.02 A 85 ARG HD3 H 1 3.115 0.02 A 85 ARG HGx H 1 1.278 0.02 A 85 ARG HGy H 1 1.463 0.02 A 85 ARG C C 13 173.901 0.4 A 85 ARG CA C 13 55.058 0.4 A 85 ARG CB C 13 31.857 0.4 A 85 ARG CD C 13 43.458 0.4 A 85 ARG CG C 13 25.866 0.4 A 85 ARG N N 15 118.446 0.1 A 86 SER H H 1 7.987 0.02 A 86 SER HA H 1 3.689 0.02 A 86 SER HBx H 1 3.647 0.02 A 86 SER HBy H 1 3.717 0.02 A 86 SER C C 13 174.342 0.4 A 86 SER CA C 13 57.844 0.4 A 86 SER CB C 13 63.504 0.4 A 86 SER N N 15 115.514 0.1 A 87 GLU H H 1 8.461 0.02 A 87 GLU HA H 1 4.125 0.02 A 87 GLU HBx H 1 1.839 0.02 A 87 GLU HBy H 1 2.026 0.02 A 87 GLU HG2 H 1 2.14 0.02 A 87 GLU HG3 H 1 2.14 0.02 A 87 GLU C C 13 175.632 0.4 A 87 GLU CA C 13 56.799 0.4 A 87 GLU CB C 13 30.049 0.4 A 87 GLU CG C 13 36.207 0.4 A 87 GLU N N 15 122.917 0.1 A 88 GLN H H 1 7.868 0.02 A 88 GLN HA H 1 4.047 0.02 A 88 GLN HBx H 1 1.827 0.02 A 88 GLN HBy H 1 2.021 0.02 A 88 GLN HG2 H 1 2.215 0.02 A 88 GLN HG3 H 1 2.215 0.02 A 88 GLN C C 13 180.635 0.4 A 88 GLN CA C 13 57.416 0.4 A 88 GLN CB C 13 30.267 0.4 A 88 GLN CG C 13 34.295 0.4 A 88 GLN N N 15 125.447 0.1 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 18 MET HA A 18 MET HGy 1.0 1.8 3.5 2 2 A 18 MET HA A 18 MET HGx 1.0 1.8 5.0 3 3 A 18 MET HA A 18 MET H 1.0 1.8 5.0 4 4 A 18 MET H A 18 MET HBy 1.0 1.8 5.0 5 5 A 19 ALA HA A 19 ALA H 1.0 1.8 3.5 6 6 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.5 7 7 A 20 LEU HA A 20 LEU H 1.0 1.8 3.5 8 8 A 20 LEU H A 20 LEU HBx 1.0 1.8 3.5 9 9 A 20 LEU H A 20 LEU HDy% 1.0 1.8 5.5 10 9 A 20 LEU H A 20 LEU HDx% 1.0 1.8 5.5 11 10 A 20 LEU HA A 20 LEU HDx% 1.0 1.8 3.5 12 11 A 20 LEU HA A 20 LEU HG 1.0 1.8 5.0 13 12 A 20 LEU HDx% A 20 LEU HBy 1.0 1.8 4.0 14 13 A 20 LEU HBy A 20 LEU HDy% 1.0 1.8 4.0 15 14 A 20 LEU HBx A 20 LEU HDy% 1.0 1.8 4.0 16 15 A 21 LYS HA A 21 LYS HB2 1.0 1.8 3.0 17 15 A 21 LYS HB3 A 21 LYS HA 1.0 1.8 3.0 18 16 A 21 LYS HA A 21 LYS HD2 1.0 1.8 5.0 19 16 A 21 LYS HA A 21 LYS HD3 1.0 1.8 5.0 20 17 A 21 LYS HA A 21 LYS HGy 1.0 1.8 5.0 21 18 A 21 LYS HA A 21 LYS HGx 1.0 1.8 4.0 22 19 A 21 LYS HB3 A 21 LYS HD2 1.0 1.8 3.0 23 19 A 21 LYS HB2 A 21 LYS HD2 1.0 1.8 3.0 24 19 A 21 LYS HD3 A 21 LYS HB2 1.0 1.8 3.0 25 19 A 21 LYS HB3 A 21 LYS HD3 1.0 1.8 3.0 26 20 A 21 LYS HB2 A 21 LYS HE2 1.0 1.8 3.0 27 20 A 21 LYS HB3 A 21 LYS HE2 1.0 1.8 3.0 28 20 A 21 LYS HE3 A 21 LYS HB2 1.0 1.8 3.0 29 20 A 21 LYS HB3 A 21 LYS HE3 1.0 1.8 3.0 30 21 A 21 LYS HB2 A 21 LYS HE2 1.0 1.8 5.0 31 21 A 21 LYS HB3 A 21 LYS HE2 1.0 1.8 5.0 32 21 A 21 LYS HE3 A 21 LYS HB2 1.0 1.8 5.0 33 21 A 21 LYS HB3 A 21 LYS HE3 1.0 1.8 5.0 34 22 A 21 LYS HGy A 21 LYS HE2 1.0 1.8 4.0 35 22 A 21 LYS HGy A 21 LYS HE3 1.0 1.8 4.0 36 23 A 21 LYS HGx A 21 LYS HE2 1.0 1.8 4.0 37 23 A 21 LYS HGx A 21 LYS HE3 1.0 1.8 4.0 38 24 A 21 LYS HA A 21 LYS H 1.0 1.8 5.0 39 25 A 21 LYS H A 21 LYS HB2 1.0 1.8 3.5 40 25 A 21 LYS HB3 A 21 LYS H 1.0 1.8 3.5 41 26 A 21 LYS H A 21 LYS HD2 1.0 1.8 4.0 42 26 A 21 LYS HD3 A 21 LYS H 1.0 1.8 4.0 43 27 A 22 CYS HA A 22 CYS H 1.0 1.8 5.0 44 28 A 22 CYS H A 22 CYS HBy 1.0 1.8 5.0 45 29 A 22 CYS H A 22 CYS HBx 1.0 1.8 5.0 46 30 A 23 PHE HA A 23 PHE H 1.0 1.8 3.5 47 31 A 23 PHE H A 23 PHE HBy 1.0 1.8 5.0 48 32 A 23 PHE H A 23 PHE HBx 1.0 1.8 5.0 49 33 A 23 PHE H A 23 PHE HD% 1.0 1.8 5.5 50 34 A 23 PHE HA A 23 PHE HD% 1.0 1.8 5.0 51 35 A 23 PHE HBy A 23 PHE HD% 1.0 1.8 5.0 52 36 A 23 PHE HBx A 23 PHE HD% 1.0 1.8 5.0 53 37 A 24 THR HG2% A 24 THR HA 1.0 1.8 4.0 54 38 A 24 THR HA A 24 THR H 1.0 1.8 5.0 55 39 A 24 THR H A 24 THR HB 1.0 1.8 5.0 56 40 A 24 THR HG2% A 24 THR H 1.0 1.8 5.5 57 41 A 25 ARG HA A 25 ARG H 1.0 1.8 5.0 58 42 A 25 ARG H A 25 ARG HBy 1.0 1.8 4.0 59 43 A 25 ARG H A 25 ARG HBx 1.0 1.8 3.5 60 44 A 25 ARG H A 25 ARG HG2 1.0 1.8 5.0 61 44 A 25 ARG H A 25 ARG HG3 1.0 1.8 5.0 62 45 A 25 ARG HA A 25 ARG HD2 1.0 1.8 4.0 63 45 A 25 ARG HA A 25 ARG HD3 1.0 1.8 4.0 64 46 A 25 ARG HA A 25 ARG HG2 1.0 1.8 4.0 65 46 A 25 ARG HA A 25 ARG HG3 1.0 1.8 4.0 66 47 A 25 ARG HBy A 25 ARG HD2 1.0 1.8 4.0 67 47 A 25 ARG HBy A 25 ARG HD3 1.0 1.8 4.0 68 48 A 25 ARG HBx A 25 ARG HD2 1.0 1.8 5.0 69 48 A 25 ARG HBx A 25 ARG HD3 1.0 1.8 5.0 70 49 A 26 ASN HA A 26 ASN H 1.0 1.8 5.0 71 50 A 26 ASN HBy A 26 ASN HD2y 1.0 1.8 5.0 72 51 A 26 ASN H A 26 ASN HBy 1.0 1.8 5.0 73 52 A 26 ASN HD2y A 26 ASN HBx 1.0 1.8 5.0 74 53 A 26 ASN H A 26 ASN HBx 1.0 1.8 5.0 75 54 A 27 GLY HAy A 27 GLY H 1.0 1.8 5.0 76 55 A 27 GLY H A 27 GLY HAx 1.0 1.8 5.0 77 56 A 28 ASP HA A 28 ASP H 1.0 1.8 3.5 78 57 A 28 ASP H A 28 ASP HBy 1.0 1.8 5.0 79 58 A 28 ASP H A 28 ASP HBx 1.0 1.8 5.0 80 59 A 29 ASP HA A 29 ASP H 1.0 1.8 3.5 81 60 A 29 ASP H A 29 ASP HBx 1.0 1.8 3.0 82 60 A 29 ASP H A 29 ASP HBy 1.0 1.8 3.0 83 61 A 30 ARG HA A 30 ARG H 1.0 1.8 5.0 84 62 A 30 ARG H A 30 ARG HBy 1.0 1.8 5.0 85 63 A 30 ARG H A 30 ARG HBx 1.0 1.8 5.0 86 64 A 30 ARG HA A 30 ARG HGy 1.0 1.8 5.0 87 65 A 30 ARG HA A 30 ARG HGx 1.0 1.8 4.0 88 66 A 30 ARG HBx A 30 ARG HDy 1.0 1.8 5.0 89 67 A 30 ARG HBx A 30 ARG HDx 1.0 1.8 4.0 90 68 A 30 ARG HBy A 30 ARG HDy 1.0 1.8 5.0 91 69 A 30 ARG HBy A 30 ARG HDx 1.0 1.8 5.0 92 70 A 30 ARG HBx A 30 ARG HDx 1.0 1.8 5.0 93 71 A 31 THR HG2% A 31 THR HA 1.0 1.8 4.0 94 72 A 31 THR HA A 31 THR H 1.0 1.8 5.0 95 73 A 31 THR H A 31 THR HB 1.0 1.8 5.0 96 74 A 31 THR HG2% A 31 THR H 1.0 1.8 5.5 97 75 A 32 VAL HA A 32 VAL H 1.0 1.8 4.0 98 76 A 32 VAL H A 32 VAL HB 1.0 1.8 3.5 99 77 A 32 VAL H A 32 VAL HGx% 1.0 1.8 5.0 100 78 A 32 VAL H A 32 VAL HGy% 1.0 1.8 5.0 101 79 A 32 VAL HA A 32 VAL HGx% 1.0 1.8 4.0 102 80 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 4.0 103 81 A 33 THR HA A 33 THR HG2% 1.0 1.8 4.0 104 82 A 33 THR HA A 33 THR H 1.0 1.8 5.0 105 83 A 33 THR H A 33 THR HB 1.0 1.8 5.0 106 84 A 33 THR HG2% A 33 THR H 1.0 1.8 5.5 107 85 A 34 THR HA A 34 THR H 1.0 1.8 5.0 108 86 A 34 THR H A 34 THR HB 1.0 1.8 3.5 109 87 A 34 THR H A 34 THR HG2% 1.0 1.8 5.0 110 88 A 34 THR HA A 34 THR HG2% 1.0 1.8 3.5 111 89 A 35 CYS HA A 35 CYS H 1.0 1.8 5.0 112 90 A 35 CYS H A 35 CYS HBy 1.0 1.8 5.0 113 91 A 35 CYS H A 35 CYS HBx 1.0 1.8 5.0 114 92 A 36 ALA HA A 36 ALA H 1.0 1.8 3.5 115 93 A 36 ALA H A 36 ALA HB% 1.0 1.8 3.5 116 94 A 37 GLU HA A 37 GLU H 1.0 1.8 4.0 117 95 A 37 GLU H A 37 GLU HBy 1.0 1.8 3.5 118 96 A 37 GLU H A 37 GLU HBx 1.0 1.8 3.5 119 97 A 37 GLU H A 37 GLU HG2 1.0 1.8 5.0 120 97 A 37 GLU H A 37 GLU HG3 1.0 1.8 5.0 121 98 A 37 GLU HA A 37 GLU HG2 1.0 1.8 3.5 122 98 A 37 GLU HA A 37 GLU HG3 1.0 1.8 3.5 123 99 A 38 GLU HA A 38 GLU HG2 1.0 1.8 3.0 124 99 A 38 GLU HG3 A 38 GLU HA 1.0 1.8 3.0 125 100 A 38 GLU HA A 38 GLU H 1.0 1.8 4.0 126 101 A 38 GLU H A 38 GLU HBx 1.0 1.8 3.5 127 101 A 38 GLU H A 38 GLU HBy 1.0 1.8 3.5 128 102 A 38 GLU H A 38 GLU HG2 1.0 1.8 4.0 129 102 A 38 GLU HG3 A 38 GLU H 1.0 1.8 4.0 130 103 A 39 GLN HA A 39 GLN H 1.0 1.8 5.0 131 104 A 39 GLN H A 39 GLN HBy 1.0 1.8 5.0 132 105 A 39 GLN H A 39 GLN HBx 1.0 1.8 4.0 133 106 A 39 GLN HE2x A 39 GLN HE2y 1.0 1.8 3.0 134 107 A 39 GLN HE2x A 39 GLN HGy 1.0 1.8 5.0 135 108 A 39 GLN HE2y A 39 GLN HGy 1.0 1.8 5.0 136 109 A 39 GLN H A 39 GLN HGy 1.0 1.8 5.0 137 110 A 39 GLN HA A 39 GLN HGy 1.0 1.8 4.0 138 111 A 39 GLN HA A 39 GLN HGx 1.0 1.8 4.0 139 112 A 39 GLN HA A 39 GLN HGy 1.0 1.8 4.0 140 113 A 40 THR HG2% A 40 THR HA 1.0 1.8 4.0 141 114 A 40 THR HA A 40 THR H 1.0 1.8 5.0 142 115 A 40 THR H A 40 THR HB 1.0 1.8 5.0 143 116 A 40 THR HG2% A 40 THR H 1.0 1.8 5.0 144 117 A 41 ARG HA A 41 ARG H 1.0 1.8 5.0 145 118 A 41 ARG H A 41 ARG HBy 1.0 1.8 5.0 146 119 A 41 ARG H A 41 ARG HBx 1.0 1.8 5.0 147 120 A 41 ARG H A 41 ARG HGx 1.0 1.8 5.0 148 121 A 41 ARG HA A 41 ARG HDy 1.0 1.8 4.0 149 122 A 41 ARG HA A 41 ARG HDx 1.0 1.8 4.0 150 123 A 41 ARG HA A 41 ARG HGx 1.0 1.8 5.0 151 124 A 41 ARG HBx A 41 ARG HDy 1.0 1.8 5.0 152 125 A 41 ARG HBx A 41 ARG HDx 1.0 1.8 5.0 153 126 A 41 ARG HBy A 41 ARG HDy 1.0 1.8 5.0 154 127 A 42 CYS HA A 42 CYS H 1.0 1.8 5.0 155 128 A 42 CYS H A 42 CYS HBy 1.0 1.8 5.0 156 129 A 42 CYS H A 42 CYS HBx 1.0 1.8 5.0 157 130 A 43 LEU HA A 43 LEU H 1.0 1.8 5.0 158 131 A 43 LEU H A 43 LEU HB2 1.0 1.8 3.5 159 131 A 43 LEU H A 43 LEU HB3 1.0 1.8 3.5 160 132 A 43 LEU H A 43 LEU HDx% 1.0 1.8 5.5 161 133 A 43 LEU H A 43 LEU HDy% 1.0 1.8 5.5 162 134 A 43 LEU H A 43 LEU HG 1.0 1.8 5.0 163 135 A 43 LEU HA A 43 LEU HDx% 1.0 1.8 5.0 164 136 A 43 LEU HA A 43 LEU HDy% 1.0 1.8 4.0 165 137 A 43 LEU HA A 43 LEU HG 1.0 1.8 4.0 166 138 A 43 LEU HDx% A 43 LEU HB2 1.0 1.8 4.0 167 138 A 43 LEU HB3 A 43 LEU HDx% 1.0 1.8 4.0 168 139 A 43 LEU HDy% A 43 LEU HB2 1.0 1.8 5.0 169 139 A 43 LEU HB3 A 43 LEU HDy% 1.0 1.8 5.0 170 140 A 44 PHE HD% A 44 PHE HA 1.0 1.8 5.0 171 141 A 44 PHE HD% A 44 PHE HB2 1.0 1.8 5.0 172 141 A 44 PHE HD% A 44 PHE HB3 1.0 1.8 5.0 173 142 A 44 PHE HA A 44 PHE H 1.0 1.8 5.0 174 143 A 44 PHE H A 44 PHE HB2 1.0 1.8 5.0 175 143 A 44 PHE HB3 A 44 PHE H 1.0 1.8 5.0 176 144 A 45 VAL HA A 45 VAL H 1.0 1.8 5.0 177 145 A 45 VAL H A 45 VAL HB 1.0 1.8 4.0 178 146 A 45 VAL H A 45 VAL HGx% 1.0 1.8 5.5 179 146 A 45 VAL H A 45 VAL HGy% 1.0 1.8 5.5 180 147 A 45 VAL HA A 45 VAL HGx% 1.0 1.8 4.0 181 148 A 45 VAL HA A 45 VAL HGy% 1.0 1.8 4.0 182 149 A 46 GLN HA A 46 GLN HGy 1.0 1.8 4.0 183 150 A 46 GLN HA A 46 GLN HGx 1.0 1.8 4.0 184 151 A 46 GLN HA A 46 GLN H 1.0 1.8 3.5 185 152 A 46 GLN H A 46 GLN HB3 1.0 1.8 3.5 186 152 A 46 GLN H A 46 GLN HB2 1.0 1.8 3.5 187 153 A 46 GLN HGy A 46 GLN H 1.0 1.8 5.0 188 154 A 46 GLN HA A 46 GLN HE2y 1.0 0.0 4.0 189 155 A 47 LEU HA A 47 LEU H 1.0 1.8 5.0 190 156 A 47 LEU H A 47 LEU HB2 1.0 1.8 4.0 191 156 A 47 LEU H A 47 LEU HB3 1.0 1.8 4.0 192 157 A 47 LEU H A 47 LEU HDx% 1.0 1.8 5.5 193 158 A 47 LEU H A 47 LEU HDy% 1.0 1.8 5.5 194 159 A 47 LEU H A 47 LEU HG 1.0 1.8 5.0 195 160 A 47 LEU HA A 47 LEU HDx% 1.0 1.8 4.0 196 161 A 47 LEU HA A 47 LEU HDy% 1.0 1.8 5.0 197 162 A 47 LEU HA A 47 LEU HG 1.0 1.8 4.0 198 163 A 47 LEU HDx% A 47 LEU HB2 1.0 1.8 4.0 199 163 A 47 LEU HB3 A 47 LEU HDx% 1.0 1.8 4.0 200 164 A 47 LEU HDy% A 47 LEU HB2 1.0 1.8 3.5 201 164 A 47 LEU HB3 A 47 LEU HDy% 1.0 1.8 3.5 202 165 A 48 PRO HBy A 48 PRO HDx 1.0 1.8 4.0 203 166 A 48 PRO HDy A 48 PRO HA 1.0 1.8 5.0 204 167 A 48 PRO HDx A 48 PRO HA 1.0 1.8 5.0 205 168 A 48 PRO HA A 48 PRO HGy 1.0 1.8 4.0 206 169 A 48 PRO HA A 48 PRO HGx 1.0 1.8 4.0 207 170 A 48 PRO HBy A 48 PRO HDy 1.0 1.8 5.0 208 171 A 48 PRO HDy A 48 PRO HBx 1.0 1.8 5.0 209 172 A 48 PRO HDx A 48 PRO HBx 1.0 1.8 5.0 210 173 A 49 TYR HD% A 49 TYR HA 1.0 1.8 4.0 211 174 A 49 TYR HD% A 49 TYR HBy 1.0 1.8 4.0 212 175 A 49 TYR HD% A 49 TYR HBx 1.0 1.8 5.0 213 176 A 49 TYR HA A 49 TYR H 1.0 1.8 4.0 214 177 A 49 TYR HBy A 49 TYR H 1.0 1.8 5.0 215 178 A 49 TYR HBx A 49 TYR H 1.0 1.8 5.0 216 179 A 50 SER HA A 50 SER H 1.0 1.8 5.0 217 180 A 50 SER H A 50 SER HBy 1.0 1.8 5.0 218 181 A 50 SER H A 50 SER HBx 1.0 1.8 5.0 219 182 A 51 GLU HA A 51 GLU H 1.0 1.8 5.0 220 183 A 51 GLU H A 51 GLU HB2 1.0 1.8 4.0 221 183 A 51 GLU H A 51 GLU HB3 1.0 1.8 4.0 222 184 A 51 GLU H A 51 GLU HG2 1.0 1.8 5.0 223 184 A 51 GLU H A 51 GLU HG3 1.0 1.8 5.0 224 185 A 51 GLU HA A 51 GLU HG2 1.0 1.8 3.5 225 185 A 51 GLU HA A 51 GLU HG3 1.0 1.8 3.5 226 186 A 52 ILE HD1% A 52 ILE HA 1.0 1.8 4.0 227 187 A 52 ILE HA A 52 ILE HG1y 1.0 1.8 3.5 228 188 A 52 ILE HA A 52 ILE HG1x 1.0 1.8 4.0 229 189 A 52 ILE HA A 52 ILE HG2% 1.0 1.8 4.0 230 190 A 52 ILE HD1% A 52 ILE HB 1.0 1.8 4.0 231 191 A 52 ILE HG1y A 52 ILE HG2% 1.0 1.8 4.0 232 192 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.8 4.0 233 193 A 52 ILE HA A 52 ILE H 1.0 1.8 5.0 234 194 A 52 ILE HB A 52 ILE H 1.0 1.8 4.0 235 195 A 52 ILE HD1% A 52 ILE H 1.0 1.8 5.5 236 196 A 52 ILE HG1y A 52 ILE H 1.0 1.8 5.0 237 197 A 52 ILE HG1x A 52 ILE H 1.0 1.8 5.0 238 198 A 52 ILE HG2% A 52 ILE H 1.0 1.8 5.5 239 199 A 53 GLN HA A 53 GLN H 1.0 1.8 5.0 240 200 A 53 GLN H A 53 GLN HBy 1.0 1.8 5.0 241 201 A 53 GLN H A 53 GLN HBx 1.0 1.8 5.0 242 202 A 53 GLN H A 53 GLN HGy 1.0 1.8 5.0 243 203 A 53 GLN HGy A 53 GLN HE2y 1.0 1.8 5.0 244 204 A 53 GLN HA A 53 GLN HGy 1.0 1.8 4.0 245 205 A 53 GLN HA A 53 GLN HGx 1.0 1.8 4.0 246 206 A 54 GLU HA A 54 GLU HGy 1.0 1.8 5.0 247 207 A 54 GLU HA A 54 GLU HGx 1.0 1.8 5.0 248 208 A 54 GLU HA A 54 GLU H 1.0 1.8 5.0 249 209 A 54 GLU H A 54 GLU HBy 1.0 1.8 5.0 250 210 A 54 GLU H A 54 GLU HBx 1.0 1.8 5.0 251 211 A 54 GLU HGy A 54 GLU H 1.0 1.8 4.0 252 212 A 55 CYS HA A 55 CYS H 1.0 1.8 5.0 253 213 A 55 CYS H A 55 CYS HBy 1.0 1.8 5.0 254 214 A 55 CYS H A 55 CYS HBx 1.0 1.8 4.0 255 215 A 56 LYS HA A 56 LYS H 1.0 1.8 5.0 256 216 A 56 LYS H A 56 LYS HBy 1.0 1.8 5.0 257 217 A 56 LYS H A 56 LYS HBx 1.0 1.8 5.0 258 218 A 56 LYS HA A 56 LYS HDy 1.0 1.8 3.5 259 219 A 56 LYS HA A 56 LYS HDx 1.0 1.8 3.5 260 220 A 56 LYS HA A 56 LYS HE3 1.0 1.8 5.0 261 221 A 56 LYS HA A 56 LYS HE2 1.0 1.8 5.0 262 222 A 56 LYS HA A 56 LYS HG2 1.0 1.8 3.5 263 222 A 56 LYS HA A 56 LYS HG3 1.0 1.8 3.5 264 223 A 56 LYS HBy A 56 LYS HDy 1.0 1.8 5.0 265 224 A 56 LYS HBx A 56 LYS HDy 1.0 1.8 4.0 266 225 A 56 LYS HBx A 56 LYS HE2 1.0 1.8 5.0 267 226 A 56 LYS HE3 A 56 LYS HG2 1.0 1.8 4.0 268 226 A 56 LYS HE3 A 56 LYS HG3 1.0 1.8 4.0 269 227 A 56 LYS HE2 A 56 LYS HG2 1.0 1.8 3.0 270 227 A 56 LYS HE2 A 56 LYS HG3 1.0 1.8 3.0 271 228 A 57 THR HG2% A 57 THR HA 1.0 1.8 4.0 272 229 A 57 THR HA A 57 THR H 1.0 1.8 3.5 273 230 A 57 THR HG2% A 57 THR H 1.0 1.8 4.0 274 231 A 58 VAL HA A 58 VAL H 1.0 1.8 5.0 275 232 A 58 VAL H A 58 VAL HB 1.0 1.8 3.0 276 233 A 58 VAL H A 58 VAL HGx% 1.0 1.8 5.0 277 233 A 58 VAL H A 58 VAL HGy% 1.0 1.8 5.0 278 234 A 58 VAL HA A 58 VAL HGx% 1.0 1.8 5.0 279 235 A 58 VAL HA A 58 VAL HGy% 1.0 1.8 4.0 280 236 A 59 GLN HA A 59 GLN HG2 1.0 1.8 3.5 281 236 A 59 GLN HG3 A 59 GLN HA 1.0 1.8 3.5 282 237 A 59 GLN HA A 59 GLN H 1.0 1.8 3.5 283 238 A 59 GLN H A 59 GLN HBx 1.0 1.8 3.0 284 239 A 59 GLN HE2x A 59 GLN HG2 1.0 1.8 5.0 285 239 A 59 GLN HG3 A 59 GLN HE2x 1.0 1.8 5.0 286 240 A 59 GLN HE2y A 59 GLN HG2 1.0 1.8 5.0 287 240 A 59 GLN HG3 A 59 GLN HE2y 1.0 1.8 5.0 288 241 A 59 GLN H A 59 GLN HG2 1.0 1.8 5.0 289 241 A 59 GLN HG3 A 59 GLN H 1.0 1.8 5.0 290 242 A 60 GLN HA A 60 GLN H 1.0 1.8 4.0 291 243 A 60 GLN H A 60 GLN HBy 1.0 1.8 4.0 292 244 A 60 GLN H A 60 GLN HBx 1.0 1.8 4.0 293 245 A 60 GLN HE2x A 60 GLN HG2 1.0 1.8 5.0 294 245 A 60 GLN HG3 A 60 GLN HE2x 1.0 1.8 5.0 295 246 A 60 GLN HE2y A 60 GLN HG2 1.0 1.8 4.0 296 246 A 60 GLN HG3 A 60 GLN HE2y 1.0 1.8 4.0 297 247 A 60 GLN H A 60 GLN HG2 1.0 1.8 4.0 298 247 A 60 GLN H A 60 GLN HG3 1.0 1.8 4.0 299 248 A 60 GLN HA A 60 GLN HG2 1.0 1.8 3.5 300 248 A 60 GLN HA A 60 GLN HG3 1.0 1.8 3.5 301 249 A 61 CYS HA A 61 CYS H 1.0 1.8 4.0 302 250 A 61 CYS H A 61 CYS HBy 1.0 1.8 4.0 303 251 A 61 CYS H A 61 CYS HBx 1.0 1.8 4.0 304 252 A 62 ALA HA A 62 ALA H 1.0 1.8 3.5 305 253 A 62 ALA H A 62 ALA HB% 1.0 1.8 3.5 306 254 A 63 GLU HA A 63 GLU H 1.0 1.8 3.0 307 255 A 63 GLU H A 63 GLU HBy 1.0 1.8 3.5 308 256 A 63 GLU H A 63 GLU HBx 1.0 1.8 3.5 309 257 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.0 310 258 A 63 GLU H A 63 GLU HGx 1.0 1.8 4.0 311 259 A 63 GLU HA A 63 GLU HGy 1.0 1.8 3.5 312 260 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.0 313 261 A 64 VAL HGx% A 64 VAL HA 1.0 1.8 4.0 314 262 A 64 VAL HA A 64 VAL HGy% 1.0 1.8 4.0 315 263 A 64 VAL HA A 64 VAL H 1.0 1.8 4.0 316 264 A 64 VAL H A 64 VAL HB 1.0 1.8 3.0 317 265 A 64 VAL HGx% A 64 VAL H 1.0 1.8 5.5 318 266 A 64 VAL HGy% A 64 VAL H 1.0 1.8 4.0 319 267 A 65 LEU HA A 65 LEU H 1.0 1.8 3.5 320 268 A 65 LEU H A 65 LEU HBy 1.0 1.8 3.0 321 269 A 65 LEU H A 65 LEU HDy% 1.0 1.8 5.5 322 269 A 65 LEU H A 65 LEU HDx% 1.0 1.8 5.5 323 270 A 65 LEU HA A 65 LEU HDx% 1.0 1.8 4.0 324 271 A 65 LEU HA A 65 LEU HDy% 1.0 1.8 4.0 325 272 A 65 LEU HA A 65 LEU HG 1.0 1.8 4.0 326 273 A 65 LEU HDx% A 65 LEU HBx 1.0 1.8 4.0 327 274 A 65 LEU HBx A 65 LEU HDy% 1.0 1.8 4.0 328 275 A 66 GLU HGy A 66 GLU HA 1.0 1.8 4.0 329 276 A 66 GLU HA A 66 GLU HGx 1.0 1.8 4.0 330 277 A 66 GLU HA A 66 GLU H 1.0 1.8 3.5 331 278 A 66 GLU H A 66 GLU HB2 1.0 1.8 3.0 332 278 A 66 GLU H A 66 GLU HB3 1.0 1.8 3.0 333 279 A 66 GLU HGy A 66 GLU H 1.0 1.8 5.0 334 280 A 66 GLU HGx A 66 GLU H 1.0 1.8 5.0 335 281 A 67 GLU HA A 67 GLU H 1.0 1.8 3.5 336 282 A 67 GLU H A 67 GLU HB2 1.0 1.8 3.0 337 282 A 67 GLU H A 67 GLU HB3 1.0 1.8 3.0 338 283 A 67 GLU H A 67 GLU HGy 1.0 1.8 3.0 339 284 A 67 GLU H A 67 GLU HGx 1.0 1.8 5.0 340 285 A 67 GLU HA A 67 GLU HGy 1.0 1.8 3.5 341 286 A 67 GLU HA A 67 GLU HGx 1.0 1.8 3.5 342 287 A 68 VAL HA A 68 VAL HGx% 1.0 1.8 3.5 343 288 A 68 VAL HA A 68 VAL HGy% 1.0 1.8 5.0 344 289 A 68 VAL HA A 68 VAL H 1.0 1.8 4.0 345 290 A 68 VAL H A 68 VAL HB 1.0 1.8 5.0 346 291 A 68 VAL H A 68 VAL HGx% 1.0 1.8 4.0 347 291 A 68 VAL H A 68 VAL HGy% 1.0 1.8 4.0 348 292 A 69 THR HG2% A 69 THR HA 1.0 1.8 4.0 349 293 A 69 THR HA A 69 THR H 1.0 1.8 3.5 350 294 A 69 THR H A 69 THR HB 1.0 1.8 3.5 351 295 A 69 THR HG2% A 69 THR H 1.0 1.8 5.5 352 296 A 70 ALA HA A 70 ALA H 1.0 1.8 3.5 353 297 A 70 ALA H A 70 ALA HB% 1.0 1.8 3.5 354 298 A 71 ILE HA A 71 ILE H 1.0 1.8 4.0 355 299 A 71 ILE H A 71 ILE HB 1.0 1.8 3.5 356 300 A 71 ILE H A 71 ILE HD1% 1.0 1.8 5.5 357 301 A 71 ILE H A 71 ILE HG1y 1.0 1.8 4.0 358 302 A 71 ILE H A 71 ILE HG1x 1.0 1.8 4.0 359 303 A 71 ILE H A 71 ILE HG2% 1.0 1.8 5.5 360 304 A 71 ILE HA A 71 ILE HD1% 1.0 1.8 5.5 361 305 A 71 ILE HA A 71 ILE HG1y 1.0 1.8 4.0 362 306 A 71 ILE HA A 71 ILE HG1x 1.0 1.8 5.0 363 307 A 71 ILE HA A 71 ILE HG2% 1.0 1.8 5.0 364 308 A 71 ILE HB A 71 ILE HD1% 1.0 1.8 4.0 365 309 A 71 ILE HB A 71 ILE HD1% 1.0 1.8 4.0 366 310 A 71 ILE HD1% A 71 ILE HG2% 1.0 1.8 5.0 367 311 A 71 ILE HG1x A 71 ILE HG2% 1.0 1.8 5.5 368 312 A 72 GLY HAy A 72 GLY H 1.0 1.8 3.5 369 313 A 72 GLY H A 72 GLY HAx 1.0 1.8 3.5 370 314 A 73 TYR HA A 73 TYR H 1.0 1.8 5.0 371 315 A 73 TYR H A 73 TYR HBy 1.0 1.8 3.5 372 316 A 73 TYR H A 73 TYR HBx 1.0 1.8 5.0 373 317 A 73 TYR H A 73 TYR HD% 1.0 1.8 5.5 374 318 A 73 TYR HA A 73 TYR HD% 1.0 1.8 4.0 375 319 A 73 TYR HA A 73 TYR HE% 1.0 1.8 5.0 376 320 A 73 TYR HBy A 73 TYR HD% 1.0 1.8 5.0 377 321 A 73 TYR HBx A 73 TYR HD% 1.0 1.8 5.0 378 322 A 74 PRO HA A 74 PRO HGy 1.0 1.8 4.0 379 323 A 74 PRO HA A 74 PRO HGx 1.0 1.8 5.0 380 324 A 74 PRO HBy A 74 PRO HDy 1.0 1.8 4.0 381 325 A 74 PRO HBy A 74 PRO HDx 1.0 1.8 5.0 382 326 A 74 PRO HDy A 74 PRO HBx 1.0 1.8 5.0 383 327 A 74 PRO HDx A 74 PRO HBx 1.0 1.8 5.0 384 328 A 75 ALA HA A 75 ALA H 1.0 1.8 5.0 385 329 A 75 ALA H A 75 ALA HB% 1.0 1.8 4.0 386 330 A 76 LYS HA A 76 LYS H 1.0 1.8 5.0 387 331 A 76 LYS H A 76 LYS HBy 1.0 1.8 5.0 388 332 A 76 LYS H A 76 LYS HBx 1.0 1.8 5.0 389 333 A 76 LYS H A 76 LYS HGy 1.0 1.8 5.0 390 334 A 76 LYS HA A 76 LYS HD2 1.0 1.8 5.0 391 334 A 76 LYS HA A 76 LYS HD3 1.0 1.8 5.0 392 335 A 76 LYS HA A 76 LYS HGy 1.0 1.8 5.0 393 336 A 76 LYS HA A 76 LYS HGx 1.0 1.8 5.0 394 337 A 76 LYS HBx A 76 LYS HD2 1.0 1.8 4.0 395 337 A 76 LYS HBx A 76 LYS HD3 1.0 1.8 4.0 396 338 A 76 LYS HBx A 76 LYS HE3 1.0 1.8 5.0 397 339 A 76 LYS HBx A 76 LYS HE2 1.0 1.8 5.0 398 340 A 76 LYS HBy A 76 LYS HD2 1.0 1.8 3.5 399 340 A 76 LYS HBy A 76 LYS HD3 1.0 1.8 3.5 400 341 A 76 LYS HBx A 76 LYS HD2 1.0 1.8 3.5 401 341 A 76 LYS HBx A 76 LYS HD3 1.0 1.8 3.5 402 342 A 76 LYS HGy A 76 LYS HE3 1.0 1.8 4.0 403 343 A 76 LYS HGy A 76 LYS HE2 1.0 1.8 4.0 404 344 A 76 LYS HGx A 76 LYS HE3 1.0 1.8 4.0 405 345 A 76 LYS HGx A 76 LYS HE2 1.0 1.8 4.0 406 346 A 77 CYS HA A 77 CYS H 1.0 1.8 5.0 407 347 A 77 CYS H A 77 CYS HBy 1.0 1.8 5.0 408 348 A 77 CYS H A 77 CYS HBx 1.0 1.8 5.0 409 349 A 78 CYS HA A 78 CYS H 1.0 1.8 5.0 410 350 A 78 CYS H A 78 CYS HBy 1.0 1.8 5.0 411 351 A 78 CYS H A 78 CYS HBx 1.0 1.8 5.0 412 352 A 79 CYS HA A 79 CYS H 1.0 1.8 5.0 413 353 A 79 CYS H A 79 CYS HBy 1.0 1.8 5.0 414 354 A 79 CYS H A 79 CYS HBx 1.0 1.8 5.0 415 355 A 80 GLU HBy A 80 GLU H 1.0 1.8 5.0 416 356 A 80 GLU H A 80 GLU HBx 1.0 1.8 5.0 417 357 A 80 GLU H A 80 GLU HG2 1.0 1.8 5.0 418 357 A 80 GLU H A 80 GLU HG3 1.0 1.8 5.0 419 358 A 80 GLU H A 80 GLU HA 1.0 1.8 4.0 420 359 A 80 GLU HA A 80 GLU HG2 1.0 1.8 3.5 421 359 A 80 GLU HG3 A 80 GLU HA 1.0 1.8 3.5 422 360 A 81 ASP HA A 81 ASP H 1.0 1.8 4.0 423 361 A 81 ASP H A 81 ASP HBy 1.0 1.8 4.0 424 362 A 81 ASP H A 81 ASP HBx 1.0 1.8 4.0 425 363 A 82 LEU HA A 82 LEU H 1.0 1.8 3.5 426 364 A 82 LEU H A 82 LEU HD11 1.0 1.8 5.5 427 365 A 82 LEU H A 82 LEU HDy% 1.0 1.8 5.5 428 366 A 82 LEU H A 82 LEU HG 1.0 1.8 5.0 429 367 A 82 LEU HA A 82 LEU HD11 1.0 1.8 4.0 430 368 A 82 LEU HA A 82 LEU HDy% 1.0 1.8 5.5 431 369 A 82 LEU HA A 82 LEU HG 1.0 1.8 5.0 432 370 A 82 LEU HD11 A 82 LEU HBy 1.0 1.8 5.0 433 371 A 82 LEU HDy% A 82 LEU HBy 1.0 1.8 4.0 434 372 A 82 LEU HD11 A 82 LEU HBx 1.0 1.8 5.0 435 373 A 82 LEU HDy% A 82 LEU HBx 1.0 1.8 4.0 436 374 A 83 CYS HA A 83 CYS H 1.0 1.8 4.0 437 375 A 83 CYS H A 83 CYS HB2 1.0 1.8 3.5 438 375 A 83 CYS H A 83 CYS HB3 1.0 1.8 3.5 439 376 A 84 ASN HA A 84 ASN H 1.0 1.8 5.0 440 377 A 84 ASN HD2y A 84 ASN HBy 1.0 1.8 5.0 441 377 A 84 ASN HBx A 84 ASN HD2y 1.0 1.8 5.0 442 378 A 84 ASN H A 84 ASN HBy 1.0 1.8 5.0 443 379 A 84 ASN H A 84 ASN HBx 1.0 1.8 5.0 444 380 A 85 ARG HA A 85 ARG H 1.0 1.8 5.0 445 381 A 85 ARG H A 85 ARG HBy 1.0 1.8 5.0 446 382 A 85 ARG H A 85 ARG HBx 1.0 1.8 5.0 447 383 A 85 ARG H A 85 ARG HGy 1.0 1.8 5.0 448 384 A 85 ARG H A 85 ARG HGx 1.0 1.8 5.0 449 385 A 85 ARG HA A 85 ARG HD2 1.0 1.8 5.0 450 385 A 85 ARG HA A 85 ARG HD3 1.0 1.8 5.0 451 386 A 85 ARG HA A 85 ARG HGy 1.0 1.8 5.0 452 387 A 85 ARG HA A 85 ARG HGx 1.0 1.8 5.0 453 388 A 85 ARG HBy A 85 ARG HD2 1.0 1.8 4.0 454 388 A 85 ARG HBy A 85 ARG HD3 1.0 1.8 4.0 455 389 A 85 ARG HBx A 85 ARG HD2 1.0 1.8 4.0 456 389 A 85 ARG HBx A 85 ARG HD3 1.0 1.8 4.0 457 390 A 86 SER HA A 86 SER H 1.0 1.8 3.0 458 391 A 87 GLU HA A 87 GLU H 1.0 1.8 4.0 459 392 A 87 GLU H A 87 GLU HBy 1.0 1.8 5.0 460 393 A 87 GLU H A 87 GLU HBx 1.0 1.8 4.0 461 394 A 87 GLU H A 87 GLU HG3 1.0 1.8 5.0 462 395 A 87 GLU H A 87 GLU HG2 1.0 1.8 5.0 463 396 A 87 GLU HA A 87 GLU HG3 1.0 1.8 4.0 464 396 A 87 GLU HA A 87 GLU HG2 1.0 1.8 4.0 465 397 A 88 GLN HA A 88 GLN HG2 1.0 1.8 5.0 466 397 A 88 GLN HG3 A 88 GLN HA 1.0 1.8 5.0 467 398 A 88 GLN HA A 88 GLN H 1.0 1.8 5.0 468 399 A 88 GLN H A 88 GLN HBy 1.0 1.8 4.0 469 400 A 88 GLN H A 88 GLN HBx 1.0 1.8 5.0 470 401 A 88 GLN H A 88 GLN HG2 1.0 1.8 5.0 471 401 A 88 GLN HG3 A 88 GLN H 1.0 1.8 5.0 472 402 A 18 MET HA A 19 ALA H 1.0 1.8 3.0 473 403 A 18 MET HBy A 19 ALA H 1.0 1.8 5.0 474 404 A 19 ALA H A 18 MET HBx 1.0 1.8 5.0 475 405 A 19 ALA HA A 20 LEU H 1.0 1.8 3.0 476 406 A 19 ALA HB% A 20 LEU H 1.0 1.8 3.5 477 407 A 20 LEU HA A 21 LYS H 1.0 1.8 3.0 478 408 A 20 LEU HDx% A 21 LYS H 1.0 1.8 4.0 479 409 A 21 LYS HA A 22 CYS H 1.0 1.8 3.0 480 410 A 22 CYS H A 21 LYS HB2 1.0 1.8 4.0 481 410 A 21 LYS HB3 A 22 CYS H 1.0 1.8 4.0 482 411 A 20 LEU H A 21 LYS H 1.0 1.8 5.0 483 412 A 22 CYS HA A 23 PHE H 1.0 1.8 3.5 484 413 A 22 CYS HBy A 23 PHE H 1.0 1.8 5.0 485 414 A 22 CYS HBx A 23 PHE H 1.0 1.8 5.0 486 415 A 21 LYS H A 22 CYS H 1.0 1.8 5.0 487 416 A 23 PHE HA A 24 THR H 1.0 1.8 3.5 488 417 A 23 PHE HBx A 24 THR H 1.0 1.8 5.0 489 418 A 23 PHE HD% A 24 THR H 1.0 1.8 5.5 490 419 A 24 THR HA A 25 ARG H 1.0 1.8 3.5 491 420 A 24 THR HB A 25 ARG H 1.0 1.8 4.0 492 421 A 24 THR HG2% A 25 ARG H 1.0 1.8 5.5 493 422 A 25 ARG HA A 26 ASN H 1.0 1.8 3.5 494 423 A 25 ARG HBy A 26 ASN H 1.0 1.8 5.0 495 424 A 25 ARG HBx A 26 ASN H 1.0 1.8 5.0 496 425 A 26 ASN H A 25 ARG HG2 1.0 1.8 5.0 497 425 A 25 ARG HG3 A 26 ASN H 1.0 1.8 5.0 498 426 A 26 ASN HA A 27 GLY H 1.0 1.8 5.0 499 427 A 25 ARG H A 26 ASN H 1.0 1.8 5.0 500 428 A 27 GLY HAy A 28 ASP H 1.0 1.8 5.0 501 429 A 27 GLY HAx A 28 ASP H 1.0 1.8 5.0 502 430 A 28 ASP HA A 29 ASP H 1.0 1.8 4.0 503 431 A 28 ASP HBy A 29 ASP H 1.0 1.8 5.0 504 432 A 28 ASP H A 29 ASP H 1.0 1.8 5.0 505 433 A 29 ASP HA A 30 ARG H 1.0 1.8 3.0 506 434 A 30 ARG H A 29 ASP HBx 1.0 1.8 5.0 507 434 A 29 ASP HBy A 30 ARG H 1.0 1.8 5.0 508 435 A 30 ARG HA A 31 THR H 1.0 1.8 3.0 509 436 A 30 ARG HBy A 31 THR H 1.0 1.8 5.0 510 437 A 30 ARG HGy A 31 THR H 1.0 1.8 5.0 511 438 A 31 THR HA A 32 VAL H 1.0 1.8 3.0 512 439 A 31 THR HG2% A 32 VAL H 1.0 1.8 5.5 513 440 A 31 THR HA A 32 VAL HGy% 1.0 1.8 5.0 514 441 A 32 VAL HGx% A 33 THR HA 1.0 1.8 5.0 515 442 A 32 VAL HA A 33 THR H 1.0 1.8 3.5 516 443 A 32 VAL HGx% A 33 THR H 1.0 1.8 5.0 517 444 A 32 VAL HGy% A 33 THR H 1.0 1.8 5.0 518 445 A 33 THR HA A 34 THR H 1.0 1.8 5.0 519 446 A 33 THR HB A 34 THR H 1.0 1.8 3.0 520 447 A 33 THR HG2% A 34 THR H 1.0 1.8 4.0 521 448 A 33 THR HB A 34 THR HG2% 1.0 1.8 4.0 522 449 A 34 THR HA A 35 CYS H 1.0 1.8 3.0 523 450 A 34 THR HB A 35 CYS H 1.0 1.8 5.0 524 451 A 34 THR HG2% A 35 CYS H 1.0 1.8 5.0 525 452 A 35 CYS HA A 36 ALA H 1.0 1.8 3.5 526 453 A 35 CYS HBy A 36 ALA H 1.0 1.8 5.0 527 454 A 35 CYS HBx A 36 ALA H 1.0 1.8 4.0 528 455 A 35 CYS HA A 36 ALA HB% 1.0 1.8 5.0 529 456 A 36 ALA HA A 37 GLU HA 1.0 1.8 5.0 530 457 A 36 ALA HA A 37 GLU HG2 1.0 1.8 5.0 531 457 A 36 ALA HA A 37 GLU HG3 1.0 1.8 5.0 532 458 A 36 ALA HB% A 37 GLU HBy 1.0 1.8 5.5 533 459 A 36 ALA HB% A 37 GLU HBx 1.0 1.8 5.5 534 460 A 36 ALA HB% A 37 GLU HA 1.0 1.8 5.5 535 461 A 36 ALA HA A 37 GLU H 1.0 1.8 3.5 536 462 A 36 ALA HB% A 37 GLU H 1.0 1.8 4.0 537 463 A 37 GLU HA A 38 GLU H 1.0 1.8 5.0 538 464 A 37 GLU HBy A 38 GLU H 1.0 1.8 4.0 539 465 A 37 GLU H A 38 GLU H 1.0 1.8 5.0 540 466 A 38 GLU HA A 39 GLN H 1.0 1.8 5.0 541 467 A 39 GLN HE2x A 38 GLU HG2 1.0 1.8 5.0 542 467 A 38 GLU HG3 A 39 GLN HE2x 1.0 1.8 5.0 543 468 A 39 GLN HE2y A 38 GLU HG2 1.0 1.8 5.0 544 468 A 38 GLU HG3 A 39 GLN HE2y 1.0 1.8 5.0 545 469 A 39 GLN H A 38 GLU HG2 1.0 1.8 4.0 546 469 A 38 GLU HG3 A 39 GLN H 1.0 1.8 4.0 547 470 A 37 GLU H A 38 GLU H 1.0 1.8 5.0 548 471 A 38 GLU H A 39 GLN H 1.0 1.8 4.0 549 472 A 39 GLN HA A 40 THR H 1.0 1.8 3.5 550 473 A 39 GLN HBy A 40 THR H 1.0 1.8 5.0 551 474 A 40 THR HA A 41 ARG H 1.0 1.8 3.5 552 475 A 39 GLN H A 40 THR HG2% 1.0 1.8 5.5 553 476 A 40 THR H A 41 ARG H 1.0 1.8 4.0 554 477 A 41 ARG HA A 42 CYS H 1.0 1.8 4.0 555 478 A 41 ARG HBy A 42 CYS H 1.0 1.8 5.0 556 479 A 41 ARG HBx A 42 CYS H 1.0 1.8 5.0 557 480 A 42 CYS HA A 43 LEU H 1.0 1.8 3.5 558 481 A 42 CYS HBx A 43 LEU H 1.0 1.8 5.0 559 482 A 43 LEU HA A 44 PHE H 1.0 1.8 3.5 560 483 A 44 PHE H A 43 LEU HB2 1.0 1.8 5.0 561 483 A 43 LEU HB3 A 44 PHE H 1.0 1.8 5.0 562 484 A 43 LEU HDx% A 44 PHE H 1.0 1.8 5.5 563 485 A 43 LEU HDy% A 44 PHE H 1.0 1.8 4.0 564 486 A 43 LEU HG A 44 PHE H 1.0 1.8 5.0 565 487 A 44 PHE HA A 45 VAL H 1.0 1.8 3.0 566 488 A 45 VAL H A 44 PHE HB2 1.0 1.8 5.0 567 488 A 44 PHE HB3 A 45 VAL H 1.0 1.8 5.0 568 489 A 44 PHE HD% A 45 VAL H 1.0 1.8 5.5 569 490 A 44 PHE HD% A 45 VAL HA 1.0 1.8 5.5 570 491 A 46 GLN HA A 45 VAL HGx% 1.0 1.8 5.5 571 492 A 44 PHE HA A 45 VAL HGy% 1.0 1.8 5.5 572 493 A 45 VAL HA A 46 GLN H 1.0 1.8 3.0 573 494 A 45 VAL HB A 46 GLN H 1.0 1.8 5.0 574 495 A 46 GLN H A 45 VAL HGx% 1.0 1.8 4.0 575 496 A 46 GLN HA A 47 LEU H 1.0 1.8 3.0 576 497 A 47 LEU H A 46 GLN HB3 1.0 1.8 5.0 577 497 A 46 GLN HB2 A 47 LEU H 1.0 1.8 5.0 578 498 A 46 GLN HGy A 47 LEU H 1.0 1.8 5.0 579 499 A 47 LEU HA A 48 PRO HDx 1.0 1.8 4.0 580 500 A 48 PRO HDx A 47 LEU HB2 1.0 1.8 3.5 581 500 A 47 LEU HB3 A 48 PRO HDx 1.0 1.8 3.5 582 501 A 47 LEU HDx% A 48 PRO HDx 1.0 1.8 5.5 583 502 A 47 LEU HDy% A 48 PRO HDx 1.0 1.8 5.5 584 503 A 47 LEU HG A 48 PRO HDx 1.0 1.8 5.0 585 504 A 47 LEU HA A 48 PRO HDy 1.0 1.8 3.5 586 505 A 47 LEU HA A 48 PRO HGy 1.0 1.8 5.0 587 506 A 47 LEU HA A 48 PRO HGx 1.0 1.8 5.0 588 507 A 48 PRO HDy A 47 LEU HB2 1.0 1.8 5.0 589 507 A 47 LEU HB3 A 48 PRO HDy 1.0 1.8 5.0 590 508 A 47 LEU HDx% A 48 PRO HDy 1.0 1.8 5.5 591 509 A 47 LEU HDy% A 48 PRO HDy 1.0 1.8 5.5 592 510 A 47 LEU HG A 48 PRO HDy 1.0 1.8 5.0 593 511 A 48 PRO HDx A 49 TYR HE% 1.0 1.8 5.5 594 512 A 48 PRO HBy A 49 TYR HD% 1.0 1.8 5.5 595 513 A 48 PRO HBy A 49 TYR HE% 1.0 1.8 5.5 596 514 A 48 PRO HGy A 49 TYR HE% 1.0 1.8 5.5 597 515 A 48 PRO HGx A 49 TYR HE% 1.0 1.8 5.5 598 516 A 48 PRO HA A 49 TYR H 1.0 1.8 5.0 599 517 A 48 PRO HBy A 49 TYR H 1.0 1.8 5.0 600 518 A 48 PRO HBx A 49 TYR H 1.0 1.8 5.0 601 519 A 48 PRO HDx A 49 TYR H 1.0 1.8 5.0 602 520 A 49 TYR HA A 50 SER H 1.0 1.8 4.0 603 521 A 49 TYR H A 50 SER H 1.0 1.8 3.5 604 522 A 49 TYR HBx A 50 SER H 1.0 1.8 5.0 605 523 A 50 SER HA A 51 GLU H 1.0 1.8 3.5 606 524 A 50 SER HBy A 51 GLU H 1.0 1.8 4.0 607 525 A 50 SER HBx A 51 GLU H 1.0 1.8 4.0 608 526 A 49 TYR H A 50 SER H 1.0 1.8 3.5 609 527 A 51 GLU HA A 52 ILE H 1.0 1.8 3.5 610 528 A 52 ILE H A 51 GLU HB2 1.0 1.8 3.5 611 528 A 51 GLU HB3 A 52 ILE H 1.0 1.8 3.5 612 529 A 52 ILE H A 51 GLU HG2 1.0 1.8 5.0 613 529 A 51 GLU HG3 A 52 ILE H 1.0 1.8 5.0 614 530 A 52 ILE HA A 53 GLN H 1.0 1.8 3.0 615 531 A 52 ILE HG1y A 53 GLN H 1.0 1.8 5.0 616 532 A 52 ILE HG2% A 53 GLN H 1.0 1.8 5.0 617 533 A 52 ILE HG2% A 53 GLN HA 1.0 1.8 5.5 618 534 A 59 GLN HA A 58 VAL HGx% 1.0 1.8 5.0 619 535 A 59 GLN HBy A 58 VAL HGx% 1.0 1.8 5.5 620 536 A 53 GLN HA A 54 GLU H 1.0 1.8 3.5 621 537 A 54 GLU HA A 55 CYS H 1.0 1.8 3.5 622 538 A 54 GLU HBx A 55 CYS H 1.0 1.8 5.0 623 539 A 54 GLU HGy A 55 CYS H 1.0 1.8 5.0 624 540 A 54 GLU HGx A 55 CYS H 1.0 1.8 5.0 625 541 A 55 CYS HA A 56 LYS H 1.0 1.8 3.5 626 542 A 55 CYS HBy A 56 LYS H 1.0 1.8 5.0 627 543 A 55 CYS HBx A 56 LYS H 1.0 1.8 5.0 628 544 A 56 LYS HDy A 57 THR H 1.0 1.8 5.0 629 545 A 57 THR HA A 58 VAL H 1.0 1.8 3.5 630 546 A 57 THR HG2% A 58 VAL H 1.0 1.8 5.5 631 547 A 58 VAL HA A 59 GLN H 1.0 1.8 5.0 632 548 A 58 VAL HB A 59 GLN H 1.0 1.8 3.0 633 549 A 59 GLN H A 58 VAL HGx% 1.0 1.8 5.0 634 549 A 58 VAL HGy% A 59 GLN H 1.0 1.8 5.0 635 550 A 58 VAL H A 59 GLN H 1.0 1.8 5.0 636 551 A 59 GLN HBx A 60 GLN H 1.0 1.8 4.0 637 552 A 59 GLN H A 60 GLN H 1.0 1.8 4.0 638 553 A 60 GLN HA A 61 CYS H 1.0 1.8 4.0 639 554 A 60 GLN H A 61 CYS H 1.0 1.8 4.0 640 555 A 61 CYS HA A 62 ALA H 1.0 1.8 5.0 641 556 A 61 CYS HBy A 62 ALA H 1.0 1.8 5.0 642 557 A 61 CYS HBx A 62 ALA H 1.0 1.8 5.0 643 558 A 61 CYS H A 62 ALA H 1.0 1.8 4.0 644 559 A 61 CYS H A 62 ALA HB% 1.0 1.8 5.5 645 560 A 62 ALA HB% A 63 GLU H 1.0 1.8 4.0 646 561 A 62 ALA HB% A 63 GLU HGx 1.0 1.8 5.5 647 562 A 62 ALA HB% A 63 GLU HGy 1.0 1.8 5.5 648 563 A 63 GLU HA A 64 VAL H 1.0 1.8 5.0 649 564 A 63 GLU HBx A 64 VAL H 1.0 1.8 4.0 650 565 A 62 ALA H A 63 GLU H 1.0 1.8 3.0 651 566 A 63 GLU H A 64 VAL H 1.0 1.8 3.0 652 567 A 63 GLU H A 64 VAL HGy% 1.0 1.8 5.5 653 568 A 64 VAL HGy% A 65 LEU H 1.0 1.8 5.5 654 569 A 64 VAL H A 65 LEU H 1.0 1.8 4.0 655 570 A 64 VAL HGx% A 65 LEU HA 1.0 1.8 5.5 656 571 A 65 LEU HBy A 66 GLU HA 1.0 1.8 5.0 657 572 A 65 LEU HDx% A 66 GLU HA 1.0 1.8 5.5 658 573 A 65 LEU HBy A 66 GLU H 1.0 1.8 4.0 659 574 A 65 LEU HBx A 66 GLU H 1.0 1.8 5.0 660 575 A 66 GLU H A 65 LEU HDy% 1.0 1.8 6.0 661 575 A 65 LEU HDx% A 66 GLU H 1.0 1.8 6.0 662 576 A 65 LEU H A 66 GLU H 1.0 1.8 5.0 663 577 A 66 GLU HA A 67 GLU H 1.0 1.8 5.0 664 578 A 66 GLU H A 67 GLU H 1.0 1.8 3.5 665 579 A 66 GLU HA A 67 GLU HGx 1.0 1.8 5.0 666 580 A 67 GLU HB2 A 68 VAL HGx% 1.0 1.8 5.0 667 580 A 67 GLU HB3 A 68 VAL HGx% 1.0 1.8 5.0 668 581 A 68 VAL HGy% A 67 GLU HB2 1.0 1.8 5.5 669 581 A 67 GLU HB3 A 68 VAL HGy% 1.0 1.8 5.5 670 582 A 67 GLU HGy A 68 VAL HGx% 1.0 1.8 5.0 671 583 A 67 GLU HGx A 68 VAL HGx% 1.0 1.8 5.5 672 584 A 68 VAL HA A 67 GLU HB2 1.0 1.8 5.0 673 584 A 67 GLU HB3 A 68 VAL HA 1.0 1.8 5.0 674 585 A 67 GLU HGy A 68 VAL HA 1.0 1.8 5.0 675 586 A 67 GLU H A 68 VAL H 1.0 1.8 4.0 676 587 A 67 GLU H A 68 VAL HGx% 1.0 1.8 6.0 677 587 A 67 GLU H A 68 VAL HGy% 1.0 1.8 6.0 678 588 A 68 VAL HB A 69 THR H 1.0 1.8 5.0 679 589 A 68 VAL H A 67 GLU HB2 1.0 1.8 3.5 680 589 A 67 GLU HB3 A 68 VAL H 1.0 1.8 3.5 681 590 A 69 THR H A 68 VAL HGx% 1.0 1.8 5.5 682 590 A 68 VAL HGy% A 69 THR H 1.0 1.8 5.5 683 591 A 68 VAL H A 69 THR H 1.0 1.8 4.0 684 592 A 69 THR HA A 68 VAL HGx% 1.0 1.8 6.0 685 592 A 68 VAL HGy% A 69 THR HA 1.0 1.8 6.0 686 593 A 69 THR HG2% A 70 ALA HA 1.0 1.8 5.5 687 594 A 69 THR HB A 70 ALA H 1.0 1.8 4.0 688 595 A 69 THR HG2% A 70 ALA H 1.0 1.8 5.5 689 596 A 69 THR H A 70 ALA H 1.0 1.8 4.0 690 597 A 70 ALA HA A 71 ILE H 1.0 1.8 4.0 691 598 A 69 THR H A 70 ALA HB% 1.0 1.8 5.5 692 599 A 70 ALA H A 71 ILE H 1.0 1.8 4.0 693 600 A 70 ALA HB% A 71 ILE HD1% 1.0 1.8 6.0 694 601 A 70 ALA HB% A 71 ILE HG2% 1.0 1.8 6.0 695 602 A 71 ILE HA A 72 GLY H 1.0 1.8 5.0 696 603 A 71 ILE HB A 72 GLY H 1.0 1.8 5.0 697 604 A 71 ILE HG1x A 72 GLY H 1.0 1.8 5.0 698 605 A 71 ILE HG2% A 72 GLY H 1.0 1.8 5.5 699 606 A 71 ILE H A 72 GLY H 1.0 1.8 3.5 700 607 A 72 GLY HAy A 73 TYR H 1.0 1.8 5.0 701 608 A 72 GLY HAx A 73 TYR H 1.0 1.8 4.0 702 609 A 72 GLY H A 73 TYR H 1.0 1.8 3.5 703 610 A 73 TYR HA A 74 PRO HDy 1.0 1.8 4.0 704 611 A 73 TYR HBx A 74 PRO HDy 1.0 1.8 5.0 705 612 A 73 TYR HBx A 74 PRO HDx 1.0 1.8 5.0 706 613 A 73 TYR HD% A 74 PRO HDy 1.0 1.8 5.5 707 614 A 73 TYR HD% A 74 PRO HDx 1.0 1.8 5.5 708 615 A 73 TYR HA A 74 PRO HDx 1.0 1.8 3.5 709 616 A 73 TYR HA A 74 PRO HGy 1.0 1.8 5.0 710 617 A 73 TYR HA A 74 PRO HGx 1.0 1.8 5.0 711 618 A 74 PRO HA A 75 ALA HB% 1.0 1.8 5.5 712 619 A 74 PRO HA A 75 ALA H 1.0 1.8 3.0 713 620 A 74 PRO HBy A 75 ALA H 1.0 1.8 5.0 714 621 A 74 PRO HBx A 75 ALA H 1.0 1.8 5.0 715 622 A 74 PRO HGy A 75 ALA H 1.0 1.8 5.0 716 623 A 75 ALA HA A 76 LYS H 1.0 1.8 3.0 717 624 A 75 ALA HB% A 76 LYS H 1.0 1.8 4.0 718 625 A 75 ALA HA A 76 LYS HGx 1.0 1.8 4.0 719 626 A 75 ALA HB% A 76 LYS HA 1.0 1.8 5.0 720 627 A 75 ALA HB% A 76 LYS HA 1.0 1.8 5.5 721 628 A 76 LYS HA A 77 CYS H 1.0 1.8 3.0 722 629 A 75 ALA H A 76 LYS H 1.0 1.8 5.0 723 630 A 77 CYS HA A 78 CYS H 1.0 1.8 3.5 724 631 A 77 CYS HBy A 78 CYS H 1.0 1.8 5.0 725 632 A 78 CYS HA A 79 CYS H 1.0 1.8 5.0 726 633 A 78 CYS HBy A 79 CYS H 1.0 1.8 5.0 727 634 A 79 CYS HA A 80 GLU H 1.0 1.8 5.0 728 635 A 79 CYS HBx A 80 GLU H 1.0 1.8 5.0 729 636 A 79 CYS H A 80 GLU H 1.0 1.8 5.0 730 637 A 80 GLU HA A 81 ASP H 1.0 1.8 3.0 731 638 A 80 GLU HBx A 81 ASP H 1.0 1.8 4.0 732 639 A 79 CYS H A 80 GLU H 1.0 1.8 5.0 733 640 A 81 ASP HA A 82 LEU H 1.0 1.8 3.5 734 641 A 81 ASP HBy A 82 LEU H 1.0 1.8 5.0 735 642 A 81 ASP H A 82 LEU H 1.0 1.8 5.0 736 643 A 81 ASP HBy A 82 LEU HDy% 1.0 1.8 5.5 737 644 A 81 ASP HBy A 82 LEU HG 1.0 1.8 4.0 738 645 A 81 ASP HBx A 82 LEU HDy% 1.0 1.8 5.5 739 646 A 81 ASP HBx A 82 LEU HG 1.0 1.8 5.0 740 647 A 82 LEU HA A 83 CYS H 1.0 1.8 5.0 741 648 A 82 LEU H A 83 CYS H 1.0 1.8 5.0 742 649 A 83 CYS H A 84 ASN H 1.0 1.8 5.0 743 650 A 84 ASN HA A 85 ARG H 1.0 1.8 4.0 744 651 A 84 ASN H A 85 ARG H 1.0 1.8 5.0 745 652 A 85 ARG HBy A 86 SER H 1.0 1.8 5.0 746 653 A 85 ARG HBx A 86 SER H 1.0 1.8 4.0 747 654 A 85 ARG HGy A 86 SER H 1.0 1.8 5.0 748 655 A 85 ARG HGy A 86 SER H 1.0 1.8 5.0 749 656 A 86 SER HA A 87 GLU H 1.0 1.8 3.5 750 657 A 85 ARG H A 86 SER H 1.0 1.8 5.0 751 658 A 87 GLU HA A 88 GLN H 1.0 1.8 4.0 752 659 A 87 GLU H A 88 GLN H 1.0 1.8 5.0 753 660 A 25 ARG HA A 30 ARG HA 1.0 1.8 3.5 754 661 A 30 ARG HA A 25 ARG HD2 1.0 1.8 5.0 755 661 A 25 ARG HD3 A 30 ARG HA 1.0 1.8 5.0 756 662 A 26 ASN H A 29 ASP H 1.0 1.8 5.0 757 663 A 26 ASN H A 30 ARG HA 1.0 1.8 5.0 758 664 A 30 ARG HA A 25 ARG HG2 1.0 1.8 5.0 759 664 A 25 ARG HG3 A 30 ARG HA 1.0 1.8 5.0 760 665 A 35 CYS HBy A 39 GLN HBy 1.0 1.8 4.0 761 666 A 35 CYS HBx A 39 GLN HBy 1.0 1.8 5.0 762 667 A 35 CYS HBy A 39 GLN HBx 1.0 1.8 3.5 763 668 A 35 CYS HBx A 39 GLN HBx 1.0 1.8 3.5 764 669 A 36 ALA HB% A 39 GLN HGy 1.0 1.8 5.0 765 670 A 36 ALA HB% A 39 GLN HGx 1.0 1.8 5.0 766 671 A 36 ALA HB% A 38 GLU H 1.0 1.8 5.5 767 672 A 36 ALA HB% A 39 GLN HE2x 1.0 1.8 5.5 768 673 A 36 ALA HB% A 39 GLN HE2y 1.0 1.8 5.5 769 674 A 36 ALA HB% A 39 GLN H 1.0 1.8 5.5 770 675 A 36 ALA H A 39 GLN HBy 1.0 1.8 5.0 771 676 A 36 ALA H A 39 GLN HBx 1.0 1.8 5.0 772 677 A 37 GLU HA A 39 GLN H 1.0 1.8 5.0 773 678 A 38 GLU HA A 40 THR HG2% 1.0 1.8 5.5 774 679 A 39 GLN HA A 41 ARG H 1.0 1.8 5.0 775 680 A 43 LEU HG A 45 VAL HGy% 1.0 1.8 4.0 776 681 A 46 GLN HA A 44 PHE HE% 1.0 1.8 5.5 777 682 A 46 GLN HA A 44 PHE HZ 1.0 1.8 5.5 778 683 A 44 PHE HE% A 46 GLN HB3 1.0 1.8 5.5 779 684 A 46 GLN HB2 A 44 PHE HE% 1.0 1.8 5.5 780 685 A 46 GLN HGy A 44 PHE HE% 1.0 1.8 5.5 781 686 A 46 GLN HGx A 44 PHE HE% 1.0 1.8 5.5 782 687 A 44 PHE HZ A 46 GLN HB3 1.0 1.8 5.5 783 688 A 46 GLN HGy A 44 PHE HZ 1.0 1.8 5.5 784 689 A 46 GLN HGx A 44 PHE HZ 1.0 1.8 5.5 785 690 A 46 GLN H A 44 PHE HE% 1.0 1.8 5.5 786 691 A 45 VAL HB A 47 LEU HDy% 1.0 1.8 5.5 787 692 A 47 LEU HDx% A 45 VAL HGx% 1.0 1.8 5.0 788 693 A 47 LEU HG A 45 VAL HGx% 1.0 1.8 5.0 789 694 A 47 LEU HA A 45 VAL HGx% 1.0 1.8 5.5 790 695 A 46 GLN HA A 51 GLU HA 1.0 1.8 4.0 791 696 A 46 GLN HA A 51 GLU HB2 1.0 1.8 5.0 792 696 A 46 GLN HA A 51 GLU HB3 1.0 1.8 5.0 793 697 A 47 LEU HDy% A 50 SER HBy 1.0 1.8 5.5 794 698 A 47 LEU HDy% A 50 SER HBx 1.0 1.8 5.5 795 699 A 47 LEU HDy% A 51 GLU HA 1.0 1.8 5.5 796 700 A 47 LEU HDy% A 52 ILE HA 1.0 1.8 5.5 797 701 A 47 LEU HG A 51 GLU HA 1.0 1.8 4.0 798 702 A 47 LEU HDy% A 52 ILE HB 1.0 1.8 5.5 799 703 A 47 LEU HDy% A 52 ILE HG1y 1.0 1.8 4.0 800 704 A 47 LEU HDy% A 52 ILE HG1x 1.0 1.8 4.0 801 705 A 49 TYR H A 47 LEU HB2 1.0 1.8 5.0 802 705 A 47 LEU HB3 A 49 TYR H 1.0 1.8 5.0 803 706 A 50 SER H A 47 LEU HB2 1.0 1.8 4.0 804 706 A 47 LEU HB3 A 50 SER H 1.0 1.8 4.0 805 707 A 47 LEU HDy% A 50 SER H 1.0 1.8 5.5 806 708 A 47 LEU HG A 50 SER H 1.0 1.8 5.0 807 709 A 47 LEU H A 50 SER H 1.0 1.8 5.0 808 710 A 47 LEU H A 52 ILE H 1.0 1.8 5.0 809 711 A 47 LEU H A 51 GLU HA 1.0 1.8 4.0 810 712 A 48 PRO HDx A 50 SER H 1.0 1.8 5.0 811 713 A 53 GLN HGx A 51 GLU HB2 1.0 1.8 4.0 812 713 A 51 GLU HB3 A 53 GLN HGx 1.0 1.8 4.0 813 714 A 52 ILE HG2% A 54 GLU HGx 1.0 1.8 5.5 814 715 A 52 ILE HG2% A 54 GLU HBy 1.0 1.8 5.0 815 716 A 52 ILE HG2% A 54 GLU HBx 1.0 1.8 5.0 816 717 A 52 ILE HG2% A 54 GLU H 1.0 1.8 5.5 817 718 A 54 GLU HBy A 56 LYS HE3 1.0 1.8 5.0 818 719 A 54 GLU HBy A 56 LYS HE2 1.0 1.8 5.0 819 720 A 54 GLU HGy A 56 LYS HE3 1.0 1.8 4.0 820 721 A 54 GLU HGy A 56 LYS HE2 1.0 1.8 4.0 821 722 A 56 LYS HBy A 61 CYS HBy 1.0 1.8 4.0 822 723 A 56 LYS HBy A 61 CYS HBx 1.0 1.8 5.0 823 724 A 56 LYS HBx A 61 CYS HBy 1.0 1.8 5.0 824 725 A 56 LYS HBx A 61 CYS HBx 1.0 1.8 5.0 825 726 A 56 LYS HBy A 61 CYS H 1.0 1.8 5.0 826 727 A 59 GLN H A 57 THR HB 1.0 1.8 5.0 827 728 A 60 GLN H A 57 THR HB 1.0 1.8 5.0 828 729 A 57 THR HG2% A 59 GLN H 1.0 1.8 5.5 829 730 A 57 THR HG2% A 60 GLN H 1.0 1.8 5.5 830 731 A 57 THR H A 60 GLN HBy 1.0 1.8 5.0 831 732 A 57 THR H A 60 GLN HBx 1.0 1.8 4.0 832 733 A 57 THR H A 60 GLN HG2 1.0 1.8 5.0 833 733 A 57 THR H A 60 GLN HG3 1.0 1.8 5.0 834 734 A 57 THR H A 60 GLN H 1.0 1.8 5.0 835 735 A 57 THR HG2% A 60 GLN HG2 1.0 1.8 5.5 836 735 A 57 THR HG2% A 60 GLN HG3 1.0 1.8 5.5 837 736 A 58 VAL HA A 61 CYS HBy 1.0 1.8 5.0 838 737 A 62 ALA HB% A 58 VAL HGx% 1.0 1.8 6.0 839 738 A 59 GLN HA A 62 ALA HB% 1.0 1.8 4.0 840 739 A 62 ALA HB% A 59 GLN HG2 1.0 1.8 5.5 841 739 A 59 GLN HG3 A 62 ALA HB% 1.0 1.8 5.5 842 740 A 64 VAL HGx% A 59 GLN HG2 1.0 1.8 5.5 843 740 A 59 GLN HG3 A 64 VAL HGx% 1.0 1.8 5.5 844 741 A 60 GLN HA A 63 GLU HBy 1.0 1.8 3.5 845 742 A 61 CYS HA A 64 VAL HB 1.0 1.8 4.0 846 743 A 61 CYS HA A 64 VAL HGx% 1.0 1.8 5.0 847 744 A 61 CYS HA A 64 VAL HGy% 1.0 1.8 5.0 848 745 A 61 CYS HA A 64 VAL H 1.0 1.8 5.0 849 746 A 61 CYS H A 63 GLU H 1.0 1.8 5.0 850 747 A 62 ALA HA A 66 GLU H 1.0 1.8 5.0 851 748 A 62 ALA HB% A 65 LEU H 1.0 1.8 5.5 852 749 A 62 ALA H A 64 VAL HGx% 1.0 1.8 5.5 853 750 A 62 ALA HA A 65 LEU HDx% 1.0 1.8 5.0 854 751 A 62 ALA HA A 65 LEU HDy% 1.0 1.8 5.5 855 752 A 62 ALA HA A 65 LEU HG 1.0 1.8 5.0 856 753 A 62 ALA HA A 65 LEU HBy 1.0 1.8 3.5 857 754 A 62 ALA HA A 65 LEU HBx 1.0 1.8 4.0 858 755 A 62 ALA HA A 65 LEU HDy% 1.0 1.8 5.0 859 755 A 62 ALA HA A 65 LEU HDx% 1.0 1.8 5.0 860 756 A 62 ALA HB% A 65 LEU HBy 1.0 1.8 5.0 861 757 A 62 ALA HB% A 65 LEU HBx 1.0 1.8 5.5 862 758 A 62 ALA HB% A 65 LEU HDy% 1.0 1.8 6.0 863 758 A 62 ALA HB% A 65 LEU HDx% 1.0 1.8 6.0 864 759 A 64 VAL HA A 67 GLU HB2 1.0 1.8 3.5 865 759 A 64 VAL HA A 67 GLU HB3 1.0 1.8 3.5 866 760 A 64 VAL HA A 67 GLU HGx 1.0 1.8 5.0 867 761 A 64 VAL HGx% A 67 GLU HB2 1.0 1.8 5.5 868 761 A 64 VAL HGx% A 67 GLU HB3 1.0 1.8 5.5 869 762 A 64 VAL HGy% A 67 GLU HB2 1.0 1.8 5.0 870 762 A 64 VAL HGy% A 67 GLU HB3 1.0 1.8 5.0 871 763 A 64 VAL HGx% A 68 VAL HGx% 1.0 1.8 5.5 872 763 A 64 VAL HGx% A 68 VAL HGy% 1.0 1.8 5.5 873 764 A 64 VAL HA A 67 GLU H 1.0 1.8 5.0 874 765 A 64 VAL HGx% A 68 VAL H 1.0 1.8 5.5 875 766 A 64 VAL H A 66 GLU H 1.0 1.8 5.0 876 767 A 65 LEU HA A 68 VAL H 1.0 1.8 5.0 877 768 A 65 LEU H A 67 GLU H 1.0 1.8 5.0 878 769 A 65 LEU HBy A 68 VAL HGy% 1.0 1.8 5.5 879 770 A 65 LEU HBx A 68 VAL HGy% 1.0 1.8 5.5 880 771 A 65 LEU HA A 68 VAL HGy% 1.0 1.8 3.5 881 772 A 65 LEU HDx% A 68 VAL HGy% 1.0 1.8 5.0 882 772 A 68 VAL HGy% A 65 LEU HDy% 1.0 1.8 5.0 883 773 A 69 THR HG2% A 65 LEU HDy% 1.0 1.8 5.5 884 773 A 65 LEU HDx% A 69 THR HG2% 1.0 1.8 5.5 885 774 A 68 VAL HGy% A 65 LEU HDy% 1.0 1.8 5.5 886 775 A 65 LEU HG A 68 VAL HGy% 1.0 1.8 5.0 887 776 A 65 LEU HG A 69 THR HG2% 1.0 1.8 5.0 888 777 A 66 GLU HA A 69 THR HA 1.0 1.8 5.0 889 778 A 66 GLU HA A 69 THR HB 1.0 1.8 4.0 890 779 A 66 GLU HA A 69 THR HG2% 1.0 1.8 5.5 891 780 A 70 ALA HB% A 66 GLU HB2 1.0 1.8 5.5 892 780 A 66 GLU HB3 A 70 ALA HB% 1.0 1.8 5.5 893 781 A 66 GLU HA A 69 THR H 1.0 1.8 5.0 894 782 A 66 GLU H A 68 VAL H 1.0 1.8 5.0 895 783 A 67 GLU HA A 70 ALA HB% 1.0 1.8 5.0 896 784 A 71 ILE HD1% A 67 GLU HB2 1.0 1.8 5.5 897 784 A 67 GLU HB3 A 71 ILE HD1% 1.0 1.8 5.5 898 785 A 67 GLU HGy A 71 ILE HD1% 1.0 1.8 5.5 899 786 A 67 GLU HGx A 71 ILE HD1% 1.0 1.8 5.5 900 787 A 67 GLU H A 70 ALA H 1.0 1.8 5.0 901 788 A 68 VAL HA A 71 ILE HB 1.0 1.8 4.0 902 789 A 68 VAL HA A 71 ILE HG1x 1.0 1.8 4.0 903 790 A 68 VAL HA A 71 ILE HD1% 1.0 1.8 5.0 904 791 A 68 VAL HA A 71 ILE HG1y 1.0 1.8 4.0 905 792 A 68 VAL HA A 71 ILE HG2% 1.0 1.8 5.5 906 793 A 68 VAL HA A 73 TYR HD% 1.0 1.8 5.5 907 794 A 71 ILE HB A 68 VAL HGx% 1.0 1.8 6.0 908 794 A 68 VAL HGy% A 71 ILE HB 1.0 1.8 6.0 909 795 A 71 ILE HD1% A 68 VAL HGx% 1.0 1.8 6.0 910 795 A 68 VAL HGy% A 71 ILE HD1% 1.0 1.8 6.0 911 796 A 73 TYR HBy A 68 VAL HGx% 1.0 1.8 5.5 912 796 A 68 VAL HGy% A 73 TYR HBy 1.0 1.8 5.5 913 797 A 73 TYR HBx A 68 VAL HGx% 1.0 1.8 5.5 914 797 A 68 VAL HGy% A 73 TYR HBx 1.0 1.8 5.5 915 798 A 71 ILE HG2% A 68 VAL HGx% 1.0 1.8 6.0 916 799 A 68 VAL HB A 73 TYR HBx 1.0 1.8 5.0 917 800 A 73 TYR HBx A 68 VAL HGx% 1.0 1.8 5.5 918 801 A 68 VAL HGy% A 73 TYR HBx 1.0 1.8 5.5 919 802 A 68 VAL HB A 73 TYR HD% 1.0 1.8 5.0 920 803 A 73 TYR HD% A 68 VAL HGx% 1.0 1.8 5.5 921 804 A 68 VAL HGy% A 73 TYR HD% 1.0 1.8 6.0 922 805 A 70 ALA H A 68 VAL HGx% 1.0 1.8 6.0 923 805 A 68 VAL HGy% A 70 ALA H 1.0 1.8 6.0 924 806 A 73 TYR H A 68 VAL HGx% 1.0 1.8 6.0 925 806 A 68 VAL HGy% A 73 TYR H 1.0 1.8 6.0 926 807 A 69 THR HG2% A 72 GLY H 1.0 1.8 5.5 927 808 A 71 ILE HB A 73 TYR H 1.0 1.8 5.0 928 809 A 71 ILE HG2% A 73 TYR H 1.0 1.8 5.5 929 810 A 71 ILE H A 73 TYR H 1.0 1.8 5.0 930 811 A 71 ILE HB A 73 TYR HD% 1.0 1.8 5.5 931 812 A 71 ILE HD1% A 73 TYR HD% 1.0 1.8 6.0 932 813 A 71 ILE HG2% A 73 TYR HD% 1.0 1.8 6.0 933 814 A 73 TYR HE% A 68 VAL HGx% 1.0 1.8 6.0 934 815 A 71 ILE HD1% A 73 TYR HE% 1.0 1.8 5.5 935 816 A 71 ILE HG2% A 73 TYR HE% 1.0 1.8 6.0 936 817 A 75 ALA HB% A 77 CYS H 1.0 1.8 5.5 937 818 A 76 LYS HBy A 78 CYS H 1.0 1.8 5.0 938 819 A 78 CYS HA A 83 CYS HB2 1.0 1.8 5.0 939 819 A 78 CYS HA A 83 CYS HB3 1.0 1.8 5.0 940 820 A 78 CYS HBy A 83 CYS HB2 1.0 1.8 5.0 941 820 A 78 CYS HBy A 83 CYS HB3 1.0 1.8 5.0 942 821 A 78 CYS HBx A 83 CYS HB2 1.0 1.8 5.0 943 821 A 78 CYS HBx A 83 CYS HB3 1.0 1.8 5.0 944 822 A 80 GLU HBy A 83 CYS HA 1.0 1.8 5.0 945 823 A 80 GLU HBy A 83 CYS HB2 1.0 1.8 4.0 946 823 A 80 GLU HBy A 83 CYS HB3 1.0 1.8 4.0 947 824 A 80 GLU HBx A 83 CYS HB2 1.0 1.8 4.0 948 824 A 80 GLU HBx A 83 CYS HB3 1.0 1.8 4.0 949 825 A 80 GLU H A 83 CYS HB2 1.0 1.8 5.0 950 825 A 80 GLU H A 83 CYS HB3 1.0 1.8 5.0 951 826 A 80 GLU HBy A 83 CYS H 1.0 1.8 5.0 952 827 A 82 LEU HA A 84 ASN H 1.0 1.8 5.0 953 828 A 86 SER HA A 88 GLN H 1.0 1.8 5.0 954 829 A 19 ALA HA A 37 GLU HA 1.0 1.8 5.0 955 830 A 19 ALA HB% A 34 THR HB 1.0 1.8 5.5 956 831 A 19 ALA HB% A 37 GLU HA 1.0 1.8 5.5 957 832 A 19 ALA HA A 40 THR HG2% 1.0 1.8 5.0 958 833 A 19 ALA HB% A 34 THR HA 1.0 1.8 5.5 959 834 A 20 LEU HBy A 40 THR HA 1.0 1.8 4.0 960 835 A 20 LEU HDx% A 80 GLU HA 1.0 1.8 5.0 961 836 A 20 LEU HDx% A 81 ASP HA 1.0 1.8 4.0 962 837 A 40 THR HA A 20 LEU HDy% 1.0 1.8 4.0 963 838 A 40 THR HB A 20 LEU HDy% 1.0 1.8 5.5 964 839 A 41 ARG HA A 20 LEU HDy% 1.0 1.8 5.0 965 840 A 20 LEU HDx% A 79 CYS HA 1.0 1.8 5.5 966 841 A 79 CYS HA A 20 LEU HDy% 1.0 1.8 5.5 967 842 A 42 CYS H A 20 LEU HDy% 1.0 1.8 6.0 968 842 A 20 LEU HDx% A 42 CYS H 1.0 1.8 6.0 969 843 A 20 LEU HDx% A 80 GLU H 1.0 1.8 5.5 970 844 A 20 LEU HDx% A 81 ASP H 1.0 1.8 5.5 971 845 A 20 LEU HDx% A 82 LEU H 1.0 1.8 5.5 972 846 A 41 ARG H A 20 LEU HDy% 1.0 1.8 5.5 973 847 A 20 LEU H A 35 CYS H 1.0 1.8 5.0 974 848 A 20 LEU H A 35 CYS HBy 1.0 1.8 5.0 975 849 A 21 LYS HA A 35 CYS H 1.0 1.8 5.0 976 850 A 82 LEU H A 21 LYS HB2 1.0 1.8 5.0 977 850 A 21 LYS HB3 A 82 LEU H 1.0 1.8 5.0 978 851 A 21 LYS H A 82 LEU H 1.0 1.8 5.0 979 852 A 21 LYS H A 81 ASP HA 1.0 1.8 5.0 980 853 A 34 THR HA A 21 LYS HB2 1.0 1.8 5.0 981 853 A 21 LYS HB3 A 34 THR HA 1.0 1.8 5.0 982 854 A 34 THR HA A 21 LYS HD2 1.0 1.8 5.0 983 854 A 21 LYS HD3 A 34 THR HA 1.0 1.8 5.0 984 855 A 21 LYS HGy A 34 THR HA 1.0 1.8 5.0 985 856 A 21 LYS HGx A 34 THR HA 1.0 1.8 5.0 986 857 A 32 VAL HGx% A 21 LYS HD2 1.0 1.8 3.5 987 857 A 21 LYS HD3 A 32 VAL HGx% 1.0 1.8 3.5 988 858 A 32 VAL HGx% A 21 LYS HE2 1.0 1.8 4.0 989 858 A 21 LYS HE3 A 32 VAL HGx% 1.0 1.8 4.0 990 859 A 21 LYS HGy A 32 VAL HGx% 1.0 1.8 5.0 991 860 A 21 LYS HGx A 32 VAL HGx% 1.0 1.8 5.0 992 861 A 32 VAL HGy% A 21 LYS HB2 1.0 1.8 5.0 993 861 A 21 LYS HB3 A 32 VAL HGy% 1.0 1.8 5.0 994 862 A 32 VAL HGy% A 21 LYS HD2 1.0 1.8 5.0 995 862 A 21 LYS HD3 A 32 VAL HGy% 1.0 1.8 5.0 996 863 A 21 LYS HA A 34 THR HA 1.0 1.8 3.5 997 864 A 81 ASP HA A 21 LYS HB2 1.0 1.8 4.0 998 864 A 21 LYS HB3 A 81 ASP HA 1.0 1.8 4.0 999 865 A 21 LYS HA A 32 VAL HGx% 1.0 1.8 5.0 1000 866 A 21 LYS HA A 34 THR HG2% 1.0 1.8 5.5 1001 867 A 32 VAL HGx% A 21 LYS HB2 1.0 1.8 3.5 1002 867 A 21 LYS HB3 A 32 VAL HGx% 1.0 1.8 3.5 1003 868 A 81 ASP HBy A 21 LYS HB2 1.0 1.8 5.0 1004 868 A 21 LYS HB3 A 81 ASP HBy 1.0 1.8 5.0 1005 869 A 81 ASP HBx A 21 LYS HB2 1.0 1.8 5.0 1006 869 A 21 LYS HB3 A 81 ASP HBx 1.0 1.8 5.0 1007 870 A 82 LEU HD11 A 21 LYS HB2 1.0 1.8 5.0 1008 870 A 21 LYS HB3 A 82 LEU HD11 1.0 1.8 5.0 1009 871 A 82 LEU HDy% A 21 LYS HB2 1.0 1.8 5.5 1010 871 A 21 LYS HB3 A 82 LEU HDy% 1.0 1.8 5.5 1011 872 A 34 THR HG2% A 21 LYS HE2 1.0 1.8 5.5 1012 872 A 21 LYS HE3 A 34 THR HG2% 1.0 1.8 5.5 1013 873 A 82 LEU HD11 A 21 LYS HD2 1.0 1.8 5.0 1014 873 A 21 LYS HD3 A 82 LEU HD11 1.0 1.8 5.0 1015 874 A 82 LEU HD11 A 21 LYS HE2 1.0 1.8 5.5 1016 874 A 21 LYS HE3 A 82 LEU HD11 1.0 1.8 5.5 1017 875 A 22 CYS HA A 82 LEU HA 1.0 1.8 4.0 1018 876 A 22 CYS HA A 82 LEU HD11 1.0 1.8 5.0 1019 877 A 22 CYS H A 82 LEU HD11 1.0 1.8 5.5 1020 878 A 22 CYS HA A 82 LEU H 1.0 1.8 5.0 1021 879 A 22 CYS HBy A 82 LEU H 1.0 1.8 5.0 1022 880 A 22 CYS H A 33 THR H 1.0 1.8 5.0 1023 881 A 22 CYS H A 35 CYS H 1.0 1.8 5.0 1024 882 A 22 CYS H A 32 VAL HGx% 1.0 1.8 5.0 1025 883 A 22 CYS H A 33 THR HG2% 1.0 1.8 5.5 1026 884 A 22 CYS H A 34 THR HA 1.0 1.8 5.0 1027 885 A 23 PHE HA A 33 THR H 1.0 1.8 5.0 1028 886 A 23 PHE H A 82 LEU HA 1.0 1.8 5.0 1029 887 A 23 PHE H A 82 LEU HD11 1.0 1.8 5.5 1030 888 A 23 PHE HBx A 53 GLN HE2x 1.0 1.8 5.0 1031 889 A 23 PHE HBx A 53 GLN HE2y 1.0 1.8 5.0 1032 890 A 23 PHE HD% A 85 ARG H 1.0 1.8 5.5 1033 891 A 23 PHE HA A 32 VAL HA 1.0 1.8 4.0 1034 892 A 23 PHE HD% A 32 VAL HA 1.0 1.8 5.5 1035 893 A 82 LEU HA A 23 PHE HE% 1.0 1.8 5.5 1036 894 A 23 PHE HA A 32 VAL HGx% 1.0 1.8 5.0 1037 895 A 23 PHE HA A 32 VAL HGy% 1.0 1.8 5.0 1038 896 A 23 PHE HA A 82 LEU HD11 1.0 1.8 5.5 1039 897 A 23 PHE HD% A 85 ARG HA 1.0 1.8 5.5 1040 898 A 23 PHE HD% A 30 ARG HBy 1.0 1.8 5.5 1041 899 A 23 PHE HD% A 32 VAL HGy% 1.0 1.8 5.5 1042 900 A 30 ARG HBy A 23 PHE HE% 1.0 1.8 5.5 1043 901 A 32 VAL HGx% A 23 PHE HE% 1.0 1.8 5.5 1044 902 A 32 VAL HGy% A 23 PHE HE% 1.0 1.8 5.0 1045 903 A 82 LEU HBy A 23 PHE HE% 1.0 1.8 5.0 1046 904 A 82 LEU HBx A 23 PHE HE% 1.0 1.8 5.5 1047 905 A 24 THR HG2% A 54 GLU HA 1.0 1.8 4.0 1048 906 A 24 THR HA A 53 GLN HBx 1.0 1.8 5.0 1049 907 A 24 THR HA A 53 GLN HBy 1.0 1.8 5.0 1050 908 A 24 THR H A 31 THR HA 1.0 1.8 5.0 1051 909 A 24 THR HG2% A 55 CYS H 1.0 1.8 5.5 1052 910 A 25 ARG HA A 31 THR H 1.0 1.8 5.0 1053 911 A 32 VAL HA A 82 LEU HD11 1.0 1.8 5.5 1054 912 A 32 VAL HGx% A 82 LEU HD11 1.0 1.8 4.0 1055 913 A 32 VAL HGy% A 82 LEU HD11 1.0 1.8 4.0 1056 914 A 33 THR H A 82 LEU HD11 1.0 1.8 5.5 1057 915 A 35 CYS HBy A 55 CYS HBy 1.0 1.8 5.0 1058 916 A 35 CYS HBy A 55 CYS HBx 1.0 1.8 5.0 1059 917 A 35 CYS HBx A 55 CYS HBy 1.0 1.8 5.0 1060 918 A 35 CYS HBx A 55 CYS HBx 1.0 1.8 3.5 1061 919 A 36 ALA H A 55 CYS HBy 1.0 1.8 5.0 1062 920 A 38 GLU HA A 57 THR HG2% 1.0 1.8 5.0 1063 921 A 57 THR HG2% A 38 GLU HBx 1.0 1.8 4.0 1064 921 A 38 GLU HBy A 57 THR HG2% 1.0 1.8 4.0 1065 922 A 38 GLU HBy A 57 THR HG2% 1.0 1.8 5.0 1066 923 A 57 THR HG2% A 38 GLU HBx 1.0 1.8 5.0 1067 924 A 39 GLN HBy A 55 CYS HBx 1.0 1.8 5.0 1068 925 A 39 GLN HGy A 57 THR HG2% 1.0 1.8 5.0 1069 926 A 39 GLN HGx A 57 THR HG2% 1.0 1.8 4.0 1070 927 A 39 GLN HBx A 55 CYS HBy 1.0 1.8 4.0 1071 928 A 39 GLN HBy A 55 CYS HBy 1.0 1.8 4.0 1072 929 A 39 GLN HA A 57 THR HA 1.0 1.8 3.5 1073 930 A 39 GLN HBy A 55 CYS HA 1.0 1.8 5.0 1074 931 A 39 GLN HGy A 57 THR HA 1.0 1.8 5.0 1075 932 A 39 GLN HGx A 57 THR HA 1.0 1.8 5.0 1076 933 A 39 GLN HA A 57 THR HB 1.0 1.8 3.5 1077 934 A 39 GLN HA A 57 THR HG2% 1.0 1.8 4.0 1078 935 A 39 GLN HA A 58 VAL H 1.0 1.8 5.0 1079 936 A 39 GLN HBy A 56 LYS H 1.0 1.8 5.0 1080 937 A 39 GLN HE2x A 55 CYS HBy 1.0 1.8 5.0 1081 938 A 39 GLN HE2y A 56 LYS HA 1.0 1.8 5.0 1082 939 A 39 GLN H A 57 THR HG2% 1.0 1.8 5.5 1083 940 A 40 THR H A 57 THR HA 1.0 1.8 4.0 1084 941 A 40 THR H A 57 THR HG2% 1.0 1.8 5.5 1085 942 A 40 THR H A 58 VAL H 1.0 1.8 5.0 1086 943 A 41 ARG H A 56 LYS H 1.0 1.8 5.0 1087 944 A 41 ARG H A 57 THR HA 1.0 1.8 5.0 1088 945 A 41 ARG HA A 79 CYS HA 1.0 1.8 4.0 1089 946 A 41 ARG HDx A 79 CYS HA 1.0 1.8 5.0 1090 947 A 58 VAL HA A 41 ARG HGy 1.0 1.8 4.0 1091 948 A 41 ARG HGx A 58 VAL HA 1.0 1.8 4.0 1092 949 A 41 ARG HA A 79 CYS HBy 1.0 1.8 5.0 1093 950 A 41 ARG HBy A 77 CYS HBy 1.0 1.8 5.0 1094 951 A 41 ARG HBy A 77 CYS HBx 1.0 1.8 5.0 1095 952 A 41 ARG HBx A 61 CYS HBy 1.0 1.8 5.0 1096 953 A 41 ARG HBx A 61 CYS HBx 1.0 1.8 5.0 1097 954 A 41 ARG HBx A 77 CYS HBy 1.0 1.8 5.0 1098 955 A 41 ARG HBx A 77 CYS HBx 1.0 1.8 5.0 1099 956 A 41 ARG HDy A 79 CYS HBy 1.0 1.8 4.0 1100 957 A 41 ARG HDx A 79 CYS HBy 1.0 1.8 5.0 1101 958 A 41 ARG HDx A 79 CYS HBx 1.0 1.8 5.0 1102 959 A 58 VAL HGy% A 41 ARG HGy 1.0 1.8 5.0 1103 960 A 61 CYS HBy A 41 ARG HGy 1.0 1.8 5.0 1104 961 A 61 CYS HBx A 41 ARG HGy 1.0 1.8 5.0 1105 962 A 41 ARG HGx A 58 VAL HGy% 1.0 1.8 5.0 1106 963 A 41 ARG HGx A 61 CYS HBy 1.0 1.8 5.0 1107 964 A 41 ARG HGx A 61 CYS HBx 1.0 1.8 5.0 1108 965 A 41 ARG HBy A 58 VAL HA 1.0 1.8 5.0 1109 966 A 41 ARG HBx A 58 VAL HA 1.0 1.8 5.0 1110 967 A 41 ARG HBy A 61 CYS HBy 1.0 1.8 5.0 1111 968 A 42 CYS HA A 55 CYS HA 1.0 1.8 4.0 1112 969 A 42 CYS HBx A 84 ASN HA 1.0 1.8 4.0 1113 970 A 42 CYS HBy A 84 ASN HBy 1.0 1.8 4.0 1114 971 A 42 CYS HBx A 84 ASN HBy 1.0 1.8 4.0 1115 972 A 42 CYS HA A 56 LYS H 1.0 1.8 5.0 1116 973 A 42 CYS H A 78 CYS H 1.0 1.8 5.0 1117 974 A 42 CYS H A 55 CYS HA 1.0 1.8 5.0 1118 975 A 42 CYS H A 58 VAL HA 1.0 1.8 5.0 1119 976 A 53 GLN H A 43 LEU HB2 1.0 1.8 5.0 1120 976 A 43 LEU HB3 A 53 GLN H 1.0 1.8 5.0 1121 977 A 43 LEU HDy% A 76 LYS H 1.0 1.8 5.5 1122 978 A 43 LEU H A 54 GLU H 1.0 1.8 5.0 1123 979 A 43 LEU HA A 77 CYS HA 1.0 1.8 3.5 1124 980 A 77 CYS HA A 43 LEU HB2 1.0 1.8 5.0 1125 980 A 43 LEU HB3 A 77 CYS HA 1.0 1.8 5.0 1126 981 A 43 LEU HDy% A 77 CYS HA 1.0 1.8 5.5 1127 982 A 43 LEU HDx% A 56 LYS HBy 1.0 1.8 5.5 1128 983 A 43 LEU HDx% A 56 LYS HDy 1.0 1.8 5.5 1129 984 A 43 LEU HDx% A 56 LYS HDx 1.0 1.8 5.5 1130 985 A 43 LEU HDx% A 56 LYS HE3 1.0 1.8 5.0 1131 986 A 43 LEU HDx% A 56 LYS HE2 1.0 2.3 4.0 1132 987 A 43 LEU HDx% A 64 VAL HB 1.0 2.3 4.0 1133 988 A 43 LEU HDy% A 75 ALA HB% 1.0 1.8 5.0 1134 989 A 43 LEU HG A 54 GLU HGy 1.0 1.8 4.0 1135 990 A 43 LEU HDy% A 61 CYS HA 1.0 1.8 5.0 1136 991 A 43 LEU HDx% A 64 VAL HGy% 1.0 1.8 5.0 1137 992 A 43 LEU HDx% A 54 GLU HBy 1.0 1.8 5.5 1138 993 A 43 LEU HDy% A 61 CYS HBy 1.0 1.8 5.5 1139 994 A 44 PHE HA A 53 GLN HA 1.0 1.8 4.0 1140 995 A 84 ASN HA A 44 PHE HB2 1.0 1.8 3.5 1141 995 A 44 PHE HB3 A 84 ASN HA 1.0 1.8 3.5 1142 996 A 44 PHE HD% A 75 ALA HA 1.0 1.8 5.5 1143 997 A 85 ARG HA A 44 PHE HE% 1.0 1.8 5.5 1144 998 A 86 SER HA A 44 PHE HE% 1.0 1.8 5.5 1145 999 A 86 SER HA A 44 PHE HZ 1.0 1.8 5.5 1146 1000 A 44 PHE HA A 53 GLN HGy 1.0 1.8 5.0 1147 1001 A 76 LYS HGy A 44 PHE HB2 1.0 1.8 4.0 1148 1001 A 44 PHE HB3 A 76 LYS HGy 1.0 1.8 4.0 1149 1002 A 76 LYS HGx A 44 PHE HB2 1.0 1.8 4.0 1150 1002 A 44 PHE HB3 A 76 LYS HGx 1.0 1.8 4.0 1151 1003 A 44 PHE HB2 A 84 ASN HBy 1.0 1.8 4.0 1152 1003 A 44 PHE HB3 A 84 ASN HBy 1.0 1.8 4.0 1153 1004 A 84 ASN HBx A 44 PHE HB2 1.0 1.8 4.0 1154 1004 A 44 PHE HB3 A 84 ASN HBx 1.0 1.8 4.0 1155 1005 A 44 PHE HD% A 53 GLN HGy 1.0 1.8 5.0 1156 1006 A 44 PHE HD% A 53 GLN HGx 1.0 1.8 5.0 1157 1007 A 44 PHE HD% A 76 LYS HGx 1.0 1.8 5.5 1158 1008 A 44 PHE HE% A 51 GLU HB2 1.0 1.8 5.5 1159 1008 A 51 GLU HB3 A 44 PHE HE% 1.0 1.8 5.5 1160 1009 A 76 LYS H A 44 PHE HB2 1.0 1.8 5.0 1161 1009 A 44 PHE HB3 A 76 LYS H 1.0 1.8 5.0 1162 1010 A 44 PHE HD% A 76 LYS H 1.0 1.8 5.5 1163 1011 A 44 PHE H A 76 LYS H 1.0 1.8 5.0 1164 1012 A 44 PHE H A 75 ALA HB% 1.0 1.8 5.5 1165 1013 A 44 PHE H A 77 CYS HA 1.0 1.8 5.0 1166 1014 A 44 PHE HZ A 87 GLU HG3 1.0 1.8 4.0 1167 1014 A 87 GLU HG2 A 44 PHE HZ 1.0 1.8 4.0 1168 1015 A 45 VAL HA A 76 LYS H 1.0 1.8 5.0 1169 1016 A 76 LYS H A 45 VAL HGx% 1.0 1.8 6.0 1170 1016 A 45 VAL HGy% A 76 LYS H 1.0 1.8 6.0 1171 1017 A 73 TYR H A 45 VAL HGx% 1.0 1.8 5.5 1172 1018 A 45 VAL H A 52 ILE H 1.0 1.8 5.0 1173 1019 A 45 VAL H A 51 GLU HA 1.0 1.8 5.0 1174 1020 A 45 VAL H A 52 ILE HB 1.0 1.8 4.0 1175 1021 A 45 VAL H A 52 ILE HG1y 1.0 1.8 5.0 1176 1022 A 45 VAL H A 52 ILE HG1x 1.0 1.8 5.0 1177 1023 A 45 VAL HA A 75 ALA HA 1.0 1.8 3.5 1178 1024 A 73 TYR HA A 45 VAL HGx% 1.0 1.8 5.5 1179 1025 A 45 VAL HA A 75 ALA HB% 1.0 1.8 4.0 1180 1026 A 45 VAL HA A 68 VAL HGy% 1.0 1.8 5.0 1181 1027 A 45 VAL HB A 52 ILE HB 1.0 1.8 3.5 1182 1028 A 75 ALA HB% A 45 VAL HGx% 1.0 1.8 5.0 1183 1028 A 45 VAL HGy% A 75 ALA HB% 1.0 1.8 5.0 1184 1029 A 68 VAL HB A 45 VAL HGx% 1.0 1.8 5.0 1185 1030 A 73 TYR HBy A 45 VAL HGx% 1.0 1.8 5.0 1186 1031 A 73 TYR HBx A 45 VAL HGx% 1.0 1.8 5.0 1187 1032 A 52 ILE HB A 45 VAL HGx% 1.0 1.8 4.0 1188 1033 A 45 VAL HGy% A 52 ILE HB 1.0 1.8 4.0 1189 1034 A 45 VAL HB A 52 ILE HD1% 1.0 1.8 4.0 1190 1035 A 45 VAL HB A 52 ILE HG1y 1.0 1.8 5.0 1191 1036 A 45 VAL HB A 52 ILE HG1x 1.0 1.8 4.0 1192 1037 A 45 VAL HB A 52 ILE HG2% 1.0 1.8 3.5 1193 1038 A 68 VAL HGy% A 45 VAL HGx% 1.0 1.8 5.0 1194 1038 A 45 VAL HGx% A 68 VAL HGx% 1.0 1.8 5.0 1195 1039 A 45 VAL HB A 68 VAL HGx% 1.0 1.8 5.5 1196 1040 A 73 TYR HD% A 45 VAL HGx% 1.0 1.8 6.0 1197 1041 A 73 TYR HE% A 45 VAL HGx% 1.0 1.8 6.0 1198 1042 A 75 ALA HA A 45 VAL HGx% 1.0 1.8 5.5 1199 1043 A 45 VAL HGy% A 75 ALA HA 1.0 1.8 5.5 1200 1044 A 75 ALA HB% A 45 VAL HGx% 1.0 1.8 5.0 1201 1045 A 45 VAL HGy% A 75 ALA HB% 1.0 1.8 5.0 1202 1046 A 46 GLN HGy A 74 PRO HBy 1.0 1.8 3.5 1203 1047 A 46 GLN HGx A 74 PRO HBy 1.0 1.8 3.0 1204 1048 A 46 GLN HGy A 74 PRO HDy 1.0 1.8 5.0 1205 1049 A 46 GLN HGx A 74 PRO HDy 1.0 1.8 5.0 1206 1050 A 46 GLN H A 75 ALA HA 1.0 1.8 5.0 1207 1051 A 46 GLN H A 75 ALA HB% 1.0 1.8 5.5 1208 1052 A 47 LEU HDx% A 73 TYR HBx 1.0 1.7 5.4 1209 1053 A 47 LEU HDx% A 73 TYR HD% 1.0 1.8 5.5 1210 1054 A 47 LEU HDx% A 73 TYR HE% 1.0 1.8 5.5 1211 1055 A 47 LEU HDy% A 73 TYR HE% 1.0 1.8 6.0 1212 1056 A 52 ILE HD1% A 68 VAL HGx% 1.0 1.8 5.5 1213 1057 A 85 ARG HA A 53 GLN HE2x 1.0 1.8 5.0 1214 1058 A 53 GLN HE2y A 85 ARG HA 1.0 1.8 5.0 1215 1059 A 56 LYS HDy A 64 VAL HGy% 1.0 1.8 5.5 1216 1060 A 56 LYS HE3 A 64 VAL HGy% 1.0 1.8 5.0 1217 1061 A 56 LYS HE2 A 64 VAL HGy% 1.0 1.8 5.0 1218 1062 A 61 CYS HBx A 77 CYS HBy 1.0 1.8 5.0 1219 1063 A 61 CYS HBx A 77 CYS HBx 1.0 1.8 5.0 1220 1064 A 61 CYS HBy A 77 CYS HBx 1.0 1.8 4.0 1221 1065 A 76 LYS HBy A 65 LEU HDy% 1.0 1.8 5.5 1222 1065 A 65 LEU HDx% A 76 LYS HBy 1.0 1.8 5.5 1223 1066 A 77 CYS HBx A 65 LEU HDy% 1.0 1.8 5.5 1224 1066 A 65 LEU HDx% A 77 CYS HBx 1.0 1.8 5.5 1225 1067 A 76 LYS HBx A 65 LEU HDy% 1.0 1.8 5.5 1226 1068 A 77 CYS HBy A 65 LEU HDy% 1.0 1.8 5.5 1227 1069 A 65 LEU HBy A 75 ALA HB% 1.0 1.8 5.5 1228 1070 A 65 LEU HBx A 75 ALA HB% 1.0 1.8 5.5 1229 1071 A 65 LEU HDx% A 75 ALA HB% 1.0 1.8 4.0 1230 1072 A 75 ALA HB% A 65 LEU HDy% 1.0 1.8 4.0 1231 1073 A 65 LEU HDx% A 76 LYS HA 1.0 1.8 5.0 1232 1074 A 65 LEU HDx% A 77 CYS HBx 1.0 1.8 5.5 1233 1075 A 77 CYS HBx A 65 LEU HDy% 1.0 1.8 5.5 1234 1076 A 76 LYS HA A 65 LEU HDy% 1.0 1.8 4.0 1235 1077 A 77 CYS HA A 65 LEU HDy% 1.0 1.8 5.5 1236 1078 A 65 LEU HA A 75 ALA HB% 1.0 1.8 5.0 1237 1079 A 75 ALA H A 65 LEU HDy% 1.0 1.8 6.0 1238 1079 A 65 LEU HDx% A 75 ALA H 1.0 1.8 6.0 1239 1080 A 77 CYS H A 65 LEU HDy% 1.0 1.8 5.0 1240 1080 A 65 LEU HDx% A 77 CYS H 1.0 1.8 5.0 1241 1081 A 68 VAL HGy% A 75 ALA HA 1.0 1.8 5.5 1242 1082 A 68 VAL HB A 75 ALA HB% 1.0 1.8 5.5 1243 1083 A 68 VAL HGy% A 75 ALA HB% 1.0 0.8 4.5 1244 1084 A 69 THR HB A 75 ALA H 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 44 PHE HE% A 87 GLU HG3 1.0 1.8 5.0 2 1 A 44 PHE HE% A 51 GLU HG2 1.0 1.8 5.0 3 1 A 87 GLU HG2 A 44 PHE HE% 1.0 1.8 5.0 4 1 A 53 GLN HGy A 44 PHE HE% 1.0 1.8 5.0 5 1 A 51 GLU HG3 A 44 PHE HE% 1.0 1.8 5.0 6 2 A 20 LEU HBy A 35 CYS H 1.0 1.8 5.0 7 2 A 19 ALA HB% A 35 CYS H 1.0 1.8 5.0 8 3 A 85 ARG HA A 23 PHE HZ 1.0 1.8 5.5 9 3 A 85 ARG HA A 23 PHE HE% 1.0 1.8 5.5 10 4 A 82 LEU HD11 A 23 PHE HZ 1.0 1.8 5.5 11 4 A 82 LEU HD11 A 23 PHE HE% 1.0 1.8 5.5 12 5 A 82 LEU HDy% A 23 PHE HZ 1.0 1.8 5.5 13 5 A 82 LEU HDy% A 23 PHE HE% 1.0 1.8 5.5 14 6 A 85 ARG HBx A 23 PHE HZ 1.0 1.8 5.5 15 6 A 85 ARG HBx A 23 PHE HE% 1.0 1.8 5.5 16 7 A 23 PHE HZ A 85 ARG HD2 1.0 1.8 5.0 17 7 A 23 PHE HE% A 85 ARG HD2 1.0 1.8 5.0 18 7 A 85 ARG HD3 A 23 PHE HZ 1.0 1.8 5.0 19 7 A 85 ARG HD3 A 23 PHE HE% 1.0 1.8 5.0 20 8 A 85 ARG HGy A 23 PHE HZ 1.0 1.8 5.5 21 8 A 85 ARG HGy A 23 PHE HE% 1.0 1.8 5.5 22 9 A 85 ARG HGx A 23 PHE HZ 1.0 1.8 5.5 23 9 A 85 ARG HGx A 23 PHE HE% 1.0 1.8 5.5 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 CYS SG A 42 CYS SG 1.0 2.0 2.1 2 2 A 42 CYS SG A 22 CYS CB 1.0 3.0 3.1 3 3 A 22 CYS SG A 42 CYS CB 1.0 3.0 3.1 4 4 A 35 CYS SG A 55 CYS SG 1.0 2.0 2.1 5 5 A 55 CYS SG A 35 CYS CB 1.0 3.0 3.1 6 6 A 35 CYS SG A 55 CYS CB 1.0 3.0 3.1 7 7 A 61 CYS SG A 77 CYS SG 1.0 2.0 2.1 8 8 A 77 CYS SG A 61 CYS CB 1.0 3.0 3.1 9 9 A 61 CYS SG A 77 CYS CB 1.0 3.0 3.1 10 10 A 78 CYS SG A 83 CYS SG 1.0 2.0 2.1 11 11 A 83 CYS SG A 78 CYS CB 1.0 3.0 3.1 12 12 A 78 CYS SG A 83 CYS CB 1.0 3.0 3.1 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 62 ALA N A 58 VAL O 1.0 2.8 3.3 2 2 A 62 ALA H A 58 VAL O 1.0 1.8 2.3 3 3 A 63 GLU N A 59 GLN O 1.0 2.8 3.3 4 4 A 63 GLU H A 59 GLN O 1.0 1.8 2.3 5 5 A 64 VAL N A 60 GLN O 1.0 2.8 3.3 6 6 A 64 VAL H A 60 GLN O 1.0 1.8 2.3 7 7 A 65 LEU N A 61 CYS O 1.0 2.8 3.3 8 8 A 65 LEU H A 61 CYS O 1.0 1.8 2.3 9 9 A 66 GLU N A 62 ALA O 1.0 2.8 3.3 10 10 A 66 GLU H A 62 ALA O 1.0 1.8 2.3 11 11 A 67 GLU N A 63 GLU O 1.0 2.8 3.3 12 12 A 67 GLU H A 63 GLU O 1.0 1.8 2.3 13 13 A 68 VAL N A 64 VAL O 1.0 2.8 3.3 14 14 A 68 VAL H A 64 VAL O 1.0 1.8 2.3 15 15 A 69 THR N A 65 LEU O 1.0 2.8 3.3 16 16 A 69 THR H A 65 LEU O 1.0 1.8 2.3 17 17 A 70 ALA N A 66 GLU O 1.0 2.8 3.3 18 18 A 70 ALA H A 66 GLU O 1.0 1.8 2.3 stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 19 ALA C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -165.0 -61.0 PHI 2 2 A 20 LEU C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -147.0 -83.0 PHI 3 3 A 21 LYS C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -169.0 -101.0 PHI 4 4 A 23 PHE C A 24 THR N A 24 THR CA A 24 THR C 1.0 -161.0 -77.0 PHI 5 5 A 24 THR C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -128.0 -84.0 PHI 6 6 A 25 ARG C A 26 ASN N A 26 ASN CA A 26 ASN C 1.0 -168.0 -80.0 PHI 7 7 A 28 ASP C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -157.0 -53.0 PHI 8 8 A 29 ASP C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -125.0 -77.0 PHI 9 9 A 30 ARG C A 31 THR N A 31 THR CA A 31 THR C 1.0 -162.0 -78.0 PHI 10 10 A 31 THR C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -152.0 -40.0 PHI 11 11 A 32 VAL C A 33 THR N A 33 THR CA A 33 THR C 1.0 -160.0 -80.0 PHI 12 12 A 33 THR C A 34 THR N A 34 THR CA A 34 THR C 1.0 -130.0 -46.0 PHI 13 13 A 34 THR C A 35 CYS N A 35 CYS CA A 35 CYS C 1.0 -165.0 -89.0 PHI 14 14 A 35 CYS C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -90.0 -62.0 PHI 15 15 A 40 THR C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -155.0 -99.0 PHI 16 16 A 41 ARG C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -154.0 -98.0 PHI 17 17 A 42 CYS C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -168.0 -84.0 PHI 18 18 A 43 LEU C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -154.0 -90.0 PHI 19 19 A 44 PHE C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -165.0 -93.0 PHI 20 20 A 45 VAL C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -154.0 -54.0 PHI 21 21 A 50 SER C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -166.0 -78.0 PHI 22 22 A 51 GLU C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -147.0 -71.0 PHI 23 23 A 52 ILE C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -163.0 -91.0 PHI 24 24 A 53 GLN C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -179.0 -91.0 PHI 25 25 A 54 GLU C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -171.0 -75.0 PHI 26 26 A 58 VAL C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -69.0 -53.0 PHI 27 27 A 59 GLN C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -79.0 -55.0 PHI 28 28 A 60 GLN C A 61 CYS N A 61 CYS CA A 61 CYS C 1.0 -75.0 -55.0 PHI 29 29 A 61 CYS C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -78.0 -54.0 PHI 30 30 A 62 ALA C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -78.0 -54.0 PHI 31 31 A 63 GLU C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -80.0 -52.0 PHI 32 32 A 64 VAL C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -71.0 -51.0 PHI 33 33 A 65 LEU C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -72.0 -60.0 PHI 34 34 A 66 GLU C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -75.0 -47.0 PHI 35 35 A 67 GLU C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -78.0 -50.0 PHI 36 36 A 68 VAL C A 69 THR N A 69 THR CA A 69 THR C 1.0 -80.0 -52.0 PHI 37 37 A 69 THR C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -81.0 -53.0 PHI 38 38 A 70 ALA C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -107.0 -63.0 PHI 39 39 A 74 PRO C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -169.0 -109.0 PHI 40 40 A 75 ALA C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -195.0 -75.0 PHI 41 41 A 76 LYS C A 77 CYS N A 77 CYS CA A 77 CYS C 1.0 -166.0 -86.0 PHI 42 42 A 77 CYS C A 78 CYS N A 78 CYS CA A 78 CYS C 1.0 -151.0 -111.0 PHI 43 43 A 78 CYS C A 79 CYS N A 79 CYS CA A 79 CYS C 1.0 -166.0 -110.0 PHI 44 44 A 79 CYS C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -167.0 -99.0 PHI 45 45 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 LYS N 1.0 113.0 169.0 PSI 46 46 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 CYS N 1.0 99.0 167.0 PSI 47 47 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 PHE N 1.0 125.0 181.0 PSI 48 48 A 24 THR N A 24 THR CA A 24 THR C A 25 ARG N 1.0 111.0 183.0 PSI 49 49 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ASN N 1.0 112.0 156.0 PSI 50 50 A 26 ASN N A 26 ASN CA A 26 ASN C A 27 GLY N 1.0 86.0 154.0 PSI 51 51 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ARG N 1.0 98.0 174.0 PSI 52 52 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 THR N 1.0 115.0 135.0 PSI 53 53 A 31 THR N A 31 THR CA A 31 THR C A 32 VAL N 1.0 100.0 176.0 PSI 54 54 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 THR N 1.0 107.0 155.0 PSI 55 55 A 33 THR N A 33 THR CA A 33 THR C A 34 THR N 1.0 112.0 148.0 PSI 56 56 A 34 THR N A 34 THR CA A 34 THR C A 35 CYS N 1.0 113.0 149.0 PSI 57 57 A 35 CYS N A 35 CYS CA A 35 CYS C A 36 ALA N 1.0 119.0 199.0 PSI 58 58 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 GLU N 1.0 135.0 183.0 PSI 59 59 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 CYS N 1.0 133.0 177.0 PSI 60 60 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 LEU N 1.0 132.0 172.0 PSI 61 61 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 PHE N 1.0 102.0 158.0 PSI 62 62 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 VAL N 1.0 99.0 167.0 PSI 63 63 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLN N 1.0 112.0 152.0 PSI 64 64 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 LEU N 1.0 100.0 156.0 PSI 65 65 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ILE N 1.0 109.0 173.0 PSI 66 66 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 GLN N 1.0 97.0 157.0 PSI 67 67 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 GLU N 1.0 133.0 173.0 PSI 68 68 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 CYS N 1.0 124.0 176.0 PSI 69 69 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 LYS N 1.0 120.0 164.0 PSI 70 70 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLN N 1.0 -54.0 -30.0 PSI 71 71 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 CYS N 1.0 -47.0 -27.0 PSI 72 72 A 61 CYS N A 61 CYS CA A 61 CYS C A 62 ALA N 1.0 -55.0 -35.0 PSI 73 73 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 GLU N 1.0 -47.0 -27.0 PSI 74 74 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 VAL N 1.0 -52.0 -24.0 PSI 75 75 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 LEU N 1.0 -59.0 -31.0 PSI 76 76 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 GLU N 1.0 -49.0 -25.0 PSI 77 77 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 GLU N 1.0 -57.0 -29.0 PSI 78 78 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 VAL N 1.0 -68.0 -24.0 PSI 79 79 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 THR N 1.0 -51.0 -27.0 PSI 80 80 A 69 THR N A 69 THR CA A 69 THR C A 70 ALA N 1.0 -59.0 -11.0 PSI 81 81 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ILE N 1.0 -47.0 -11.0 PSI 82 82 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 GLY N 1.0 -35.0 25.0 PSI 83 83 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 LYS N 1.0 134.0 178.0 PSI 84 84 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 CYS N 1.0 113.0 177.0 PSI 85 85 A 77 CYS N A 77 CYS CA A 77 CYS C A 78 CYS N 1.0 121.0 173.0 PSI 86 86 A 78 CYS N A 78 CYS CA A 78 CYS C A 79 CYS N 1.0 123.0 171.0 PSI 87 87 A 79 CYS N A 79 CYS CA A 79 CYS C A 80 GLU N 1.0 126.0 162.0 PSI 88 88 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ASP N 1.0 118.0 174.0 PSI stop_ save_