data_nef_c19970_2mp8 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MP8 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 LEU N 1 64 TRP C stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 LEU cyclic . . 2 A 2 THR middle . . 3 A 3 ALA middle . . 4 A 4 ASN middle . . 5 A 5 LEU middle . . 6 A 6 GLY middle . false 7 A 7 ILE middle . . 8 A 8 SER middle . . 9 A 9 SER middle . . 10 A 10 TYR middle . . 11 A 11 ALA middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 LYS middle . . 15 A 15 VAL middle . . 16 A 16 ILE middle . . 17 A 17 ASP middle . . 18 A 18 ILE middle . . 19 A 19 ILE middle . . 20 A 20 ASN middle . . 21 A 21 THR middle . . 22 A 22 GLY middle . false 23 A 23 SER middle . . 24 A 24 ALA middle . . 25 A 25 VAL middle . . 26 A 26 ALA middle . . 27 A 27 THR middle . . 28 A 28 ILE middle . . 29 A 29 ILE middle . . 30 A 30 ALA middle . . 31 A 31 LEU middle . . 32 A 32 VAL middle . . 33 A 33 THR middle . . 34 A 34 ALA middle . . 35 A 35 VAL middle . . 36 A 36 VAL middle . . 37 A 37 GLY middle . false 38 A 38 GLY middle . false 39 A 39 GLY middle . false 40 A 40 LEU middle . . 41 A 41 ILE middle . . 42 A 42 THR middle . . 43 A 43 ALA middle . . 44 A 44 GLY middle . false 45 A 45 ILE middle . . 46 A 46 VAL middle . . 47 A 47 ALA middle . . 48 A 48 THR middle . . 49 A 49 ALA middle . . 50 A 50 LYS middle . . 51 A 51 SER middle . . 52 A 52 LEU middle . . 53 A 53 ILE middle . . 54 A 54 LYS middle . . 55 A 55 LYS middle . . 56 A 56 TYR middle . . 57 A 57 GLY middle . false 58 A 58 ALA middle . . 59 A 59 LYS middle . . 60 A 60 TYR middle . . 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 ALA middle . . 64 A 64 TRP cyclic . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU H1 H 1 8.234 0.000 A 1 LEU HA H 1 3.762 0.000 A 1 LEU HBy H 1 2.353 0.000 A 1 LEU HBx H 1 1.340 0.000 A 1 LEU HDx% H 1 0.972 0.000 A 1 LEU HDy% H 1 0.972 0.000 A 1 LEU HG H 1 2.248 0.000 A 1 LEU CA C 13 58.430 0.000 A 1 LEU CB C 13 42.712 0.000 A 1 LEU CDx C 13 23.950 0.000 A 1 LEU CDy C 13 24.045 0.000 A 1 LEU CG C 13 26.485 0.000 A 1 LEU N N 15 120.532 0.000 A 2 THR H H 1 8.060 0.000 A 2 THR HA H 1 4.049 0.000 A 2 THR HB H 1 4.017 0.000 A 2 THR HG2% H 1 1.185 0.000 A 2 THR CA C 13 66.547 0.000 A 2 THR CB C 13 69.100 0.000 A 2 THR CG2 C 13 21.160 0.000 A 2 THR N N 15 116.456 0.000 A 3 ALA H H 1 7.837 0.000 A 3 ALA HA H 1 4.000 0.000 A 3 ALA HB% H 1 1.274 0.000 A 3 ALA CA C 13 54.475 0.000 A 3 ALA CB C 13 18.491 0.000 A 3 ALA N N 15 122.290 0.000 A 4 ASN H H 1 7.829 0.000 A 4 ASN HA H 1 4.324 0.000 A 4 ASN HBy H 1 1.811 0.000 A 4 ASN HBx H 1 1.449 0.000 A 4 ASN HD2y H 1 6.504 0.000 A 4 ASN HD2x H 1 6.077 0.000 A 4 ASN CA C 13 55.455 0.000 A 4 ASN CB C 13 39.211 0.014 A 4 ASN N N 15 112.450 0.000 A 4 ASN ND2 N 15 113.621 0.000 A 5 LEU H H 1 8.046 0.000 A 5 LEU HA H 1 4.595 0.000 A 5 LEU HBy H 1 1.781 0.000 A 5 LEU HBx H 1 1.637 0.000 A 5 LEU HG H 1 1.572 0.000 A 5 LEU CA C 13 54.292 0.000 A 5 LEU CB C 13 43.962 0.000 A 5 LEU CG C 13 27.675 0.000 A 5 LEU N N 15 115.686 0.000 A 6 GLY H H 1 7.482 0.000 A 6 GLY HAy H 1 3.963 0.000 A 6 GLY HAx H 1 3.888 0.000 A 6 GLY CA C 13 46.268 0.000 A 6 GLY N N 15 107.089 0.000 A 7 ILE H H 1 6.382 0.000 A 7 ILE HA H 1 4.428 0.000 A 7 ILE HB H 1 1.922 0.000 A 7 ILE HD1% H 1 0.725 0.000 A 7 ILE HG1y H 1 1.399 0.000 A 7 ILE HG1x H 1 0.859 0.000 A 7 ILE HG2% H 1 0.817 0.000 A 7 ILE CA C 13 59.747 0.000 A 7 ILE CB C 13 39.255 0.000 A 7 ILE CD1 C 13 12.560 0.000 A 7 ILE CG1 C 13 26.290 0.000 A 7 ILE CG2 C 13 18.486 0.000 A 7 ILE N N 15 111.337 0.000 A 8 SER H H 1 8.781 0.000 A 8 SER HA H 1 4.376 0.000 A 8 SER HBy H 1 4.368 0.000 A 8 SER HBx H 1 4.134 0.000 A 8 SER CA C 13 57.769 0.000 A 8 SER CB C 13 64.667 0.000 A 8 SER N N 15 118.530 0.000 A 9 SER H H 1 9.035 0.000 A 9 SER HA H 1 4.134 0.000 A 9 SER HBx H 1 3.898 0.000 A 9 SER HBy H 1 3.898 0.000 A 9 SER CA C 13 61.481 0.000 A 9 SER CB C 13 62.076 0.000 A 9 SER N N 15 116.970 0.000 A 10 TYR H H 1 7.965 0.000 A 10 TYR HA H 1 4.224 0.000 A 10 TYR HBy H 1 3.141 0.000 A 10 TYR HBx H 1 2.933 0.000 A 10 TYR CA C 13 60.504 0.000 A 10 TYR CB C 13 38.231 0.003 A 10 TYR N N 15 121.921 0.000 A 11 ALA H H 1 7.881 0.000 A 11 ALA HA H 1 3.795 0.000 A 11 ALA HB% H 1 1.413 0.000 A 11 ALA CA C 13 54.671 0.000 A 11 ALA CB C 13 18.295 0.000 A 11 ALA N N 15 123.000 0.000 A 12 ALA H H 1 8.850 0.000 A 12 ALA HA H 1 3.742 0.000 A 12 ALA HB% H 1 1.504 0.000 A 12 ALA CA C 13 55.495 0.000 A 12 ALA CB C 13 19.467 0.000 A 12 ALA N N 15 118.193 0.000 A 13 LYS H H 1 7.710 0.000 A 13 LYS HA H 1 3.818 0.000 A 13 LYS HBy H 1 1.914 0.000 A 13 LYS HBx H 1 1.888 0.000 A 13 LYS HDx H 1 1.660 0.000 A 13 LYS HDy H 1 1.660 0.000 A 13 LYS HEx H 1 2.966 0.000 A 13 LYS HEy H 1 2.966 0.000 A 13 LYS HGy H 1 1.515 0.000 A 13 LYS HGx H 1 1.420 0.000 A 13 LYS CA C 13 59.718 0.000 A 13 LYS CB C 13 31.801 0.000 A 13 LYS CD C 13 28.769 0.000 A 13 LYS CE C 13 42.056 0.000 A 13 LYS CG C 13 25.176 0.000 A 13 LYS N N 15 117.100 0.000 A 14 LYS H H 1 7.231 0.000 A 14 LYS HA H 1 4.072 0.000 A 14 LYS HBy H 1 1.906 0.000 A 14 LYS HBx H 1 1.788 0.000 A 14 LYS HDx H 1 1.602 0.000 A 14 LYS HDy H 1 1.602 0.000 A 14 LYS HEx H 1 2.844 0.000 A 14 LYS HEy H 1 2.844 0.000 A 14 LYS HGy H 1 1.436 0.000 A 14 LYS HGx H 1 1.357 0.000 A 14 LYS CA C 13 58.934 0.000 A 14 LYS CB C 13 32.012 0.005 A 14 LYS CD C 13 28.775 0.000 A 14 LYS CE C 13 41.575 0.000 A 14 LYS CG C 13 24.820 0.006 A 14 LYS N N 15 118.122 0.000 A 15 VAL H H 1 8.475 0.000 A 15 VAL HA H 1 3.511 0.000 A 15 VAL HB H 1 2.226 0.000 A 15 VAL CA C 13 67.146 0.000 A 15 VAL CB C 13 31.031 0.000 A 15 VAL N N 15 118.330 0.000 A 16 ILE H H 1 8.284 0.000 A 16 ILE HA H 1 3.707 0.000 A 16 ILE HB H 1 2.354 0.000 A 16 ILE HD1% H 1 0.720 0.000 A 16 ILE HG1y H 1 2.016 0.000 A 16 ILE HG1x H 1 1.328 0.000 A 16 ILE CA C 13 61.958 0.000 A 16 ILE CB C 13 34.576 0.000 A 16 ILE CD1 C 13 10.767 0.000 A 16 ILE CG1 C 13 27.194 0.011 A 16 ILE N N 15 119.959 0.000 A 17 ASP H H 1 8.182 0.000 A 17 ASP HA H 1 4.416 0.000 A 17 ASP HBy H 1 2.864 0.000 A 17 ASP HBx H 1 2.630 0.000 A 17 ASP CA C 13 57.616 0.000 A 17 ASP CB C 13 39.799 0.000 A 17 ASP N N 15 120.393 0.000 A 18 ILE H H 1 7.852 0.000 A 18 ILE HA H 1 3.695 0.000 A 18 ILE HB H 1 1.950 0.000 A 18 ILE HG1y H 1 1.896 0.000 A 18 ILE HG1x H 1 1.046 0.000 A 18 ILE CA C 13 65.023 0.000 A 18 ILE CB C 13 38.131 0.000 A 18 ILE CG1 C 13 29.274 0.000 A 18 ILE N N 15 120.680 0.000 A 19 ILE H H 1 8.580 0.000 A 19 ILE HA H 1 3.582 0.000 A 19 ILE HB H 1 1.946 0.000 A 19 ILE CA C 13 65.804 0.000 A 19 ILE CB C 13 38.225 0.000 A 19 ILE N N 15 121.940 0.000 A 20 ASN H H 1 8.689 0.000 A 20 ASN HA H 1 4.705 0.000 A 20 ASN HBy H 1 3.006 0.000 A 20 ASN HBx H 1 2.896 0.000 A 20 ASN HD2x H 1 6.367 0.000 A 20 ASN HD2y H 1 7.798 0.000 A 20 ASN CA C 13 53.723 0.000 A 20 ASN CB C 13 38.362 0.000 A 20 ASN N N 15 116.595 0.000 A 20 ASN ND2 N 15 109.477 0.000 A 21 THR H H 1 7.729 0.000 A 21 THR HA H 1 4.354 0.000 A 21 THR HB H 1 4.344 0.000 A 21 THR HG2% H 1 1.425 0.000 A 21 THR CA C 13 62.862 0.000 A 21 THR CB C 13 68.649 0.000 A 21 THR CG2 C 13 21.241 0.000 A 21 THR N N 15 109.614 0.000 A 22 GLY H H 1 8.002 0.000 A 22 GLY HAy H 1 4.142 0.000 A 22 GLY HAx H 1 3.858 0.000 A 22 GLY CA C 13 45.435 0.000 A 22 GLY N N 15 108.106 0.000 A 23 SER H H 1 7.731 0.000 A 23 SER HA H 1 4.410 0.000 A 23 SER HBy H 1 3.882 0.000 A 23 SER HBx H 1 3.656 0.000 A 23 SER CA C 13 58.798 0.000 A 23 SER CB C 13 64.226 0.000 A 23 SER N N 15 114.655 0.000 A 24 ALA H H 1 8.307 0.000 A 24 ALA HA H 1 4.403 0.000 A 24 ALA HB% H 1 1.552 0.000 A 24 ALA CA C 13 51.786 0.000 A 24 ALA CB C 13 18.838 0.000 A 24 ALA N N 15 123.575 0.000 A 25 VAL H H 1 8.765 0.000 A 25 VAL HA H 1 3.535 0.000 A 25 VAL HB H 1 2.108 0.000 A 25 VAL CA C 13 67.541 0.000 A 25 VAL CB C 13 31.398 0.000 A 25 VAL N N 15 123.752 0.000 A 26 ALA H H 1 8.878 0.000 A 26 ALA HA H 1 4.075 0.000 A 26 ALA HB% H 1 1.447 0.000 A 26 ALA CA C 13 55.434 0.000 A 26 ALA CB C 13 17.955 0.000 A 26 ALA N N 15 119.677 0.000 A 27 THR H H 1 7.050 0.000 A 27 THR HA H 1 4.053 0.000 A 27 THR HB H 1 4.353 0.000 A 27 THR HG2% H 1 1.306 0.000 A 27 THR CA C 13 65.692 0.000 A 27 THR CB C 13 71.464 0.000 A 27 THR CG2 C 13 22.035 0.000 A 27 THR N N 15 115.054 0.000 A 28 ILE H H 1 8.104 0.000 A 28 ILE HA H 1 3.409 0.000 A 28 ILE HB H 1 2.107 0.000 A 28 ILE CA C 13 65.837 0.000 A 28 ILE CB C 13 37.889 0.000 A 28 ILE N N 15 121.603 0.000 A 29 ILE H H 1 8.635 0.000 A 29 ILE HA H 1 3.499 0.000 A 29 ILE HB H 1 1.907 0.000 A 29 ILE HG1y H 1 1.703 0.000 A 29 ILE HG1x H 1 1.068 0.000 A 29 ILE CA C 13 65.191 0.000 A 29 ILE CB C 13 37.279 0.000 A 29 ILE CG1 C 13 29.267 0.000 A 29 ILE N N 15 117.537 0.000 A 30 ALA H H 1 7.629 0.000 A 30 ALA HA H 1 4.207 0.000 A 30 ALA HB% H 1 1.585 0.000 A 30 ALA CA C 13 55.455 0.000 A 30 ALA CB C 13 17.955 0.000 A 30 ALA N N 15 123.800 0.000 A 31 LEU H H 1 8.411 0.000 A 31 LEU HA H 1 4.197 0.000 A 31 LEU HBy H 1 2.038 0.000 A 31 LEU HBx H 1 1.421 0.000 A 31 LEU HG H 1 1.953 0.000 A 31 LEU CA C 13 57.767 0.000 A 31 LEU CB C 13 42.806 0.000 A 31 LEU CG C 13 26.770 0.000 A 31 LEU N N 15 113.920 0.000 A 32 VAL H H 1 8.938 0.000 A 32 VAL HA H 1 3.853 0.000 A 32 VAL HB H 1 2.307 0.000 A 32 VAL CA C 13 65.382 0.000 A 32 VAL CB C 13 31.002 0.000 A 32 VAL N N 15 115.486 0.000 A 33 THR H H 1 8.104 0.000 A 33 THR HA H 1 3.979 0.000 A 33 THR HG2% H 1 1.236 0.000 A 33 THR CA C 13 66.186 0.000 A 33 THR CG2 C 13 20.834 0.000 A 33 THR N N 15 118.639 0.000 A 34 ALA H H 1 7.180 0.000 A 34 ALA HA H 1 4.219 0.000 A 34 ALA HB% H 1 1.533 0.000 A 34 ALA CA C 13 54.048 0.000 A 34 ALA CB C 13 18.409 0.000 A 34 ALA N N 15 121.472 0.000 A 35 VAL H H 1 7.535 0.000 A 35 VAL HA H 1 4.048 0.000 A 35 VAL HB H 1 2.169 0.000 A 35 VAL CA C 13 64.188 0.000 A 35 VAL CB C 13 33.152 0.000 A 35 VAL N N 15 115.952 0.000 A 36 VAL H H 1 7.930 0.000 A 36 VAL HA H 1 4.451 0.000 A 36 VAL HB H 1 2.369 0.000 A 36 VAL CA C 13 61.326 0.000 A 36 VAL CB C 13 33.152 0.000 A 36 VAL N N 15 111.440 0.000 A 37 GLY H H 1 7.995 0.000 A 37 GLY HAy H 1 4.353 0.000 A 37 GLY HAx H 1 4.022 0.000 A 37 GLY CA C 13 44.316 0.000 A 37 GLY N N 15 111.118 0.000 A 38 GLY H H 1 8.447 0.000 A 38 GLY HAy H 1 4.042 0.000 A 38 GLY HAx H 1 3.927 0.000 A 38 GLY CA C 13 45.338 0.000 A 38 GLY N N 15 105.459 0.000 A 39 GLY H H 1 8.530 0.000 A 39 GLY HAy H 1 3.932 0.000 A 39 GLY HAx H 1 3.814 0.000 A 39 GLY CA C 13 46.007 0.000 A 39 GLY N N 15 107.959 0.000 A 40 LEU H H 1 7.738 0.000 A 40 LEU HA H 1 4.389 0.000 A 40 LEU HBy H 1 1.531 0.000 A 40 LEU HBx H 1 1.440 0.000 A 40 LEU HG H 1 1.516 0.000 A 40 LEU CA C 13 56.010 0.000 A 40 LEU CB C 13 44.462 0.000 A 40 LEU CG C 13 25.173 0.000 A 40 LEU N N 15 119.985 0.000 A 41 ILE H H 1 8.400 0.000 A 41 ILE HA H 1 4.063 0.000 A 41 ILE HB H 1 1.995 0.000 A 41 ILE CA C 13 60.016 0.000 A 41 ILE CB C 13 35.768 0.000 A 41 ILE N N 15 116.997 0.000 A 42 THR H H 1 6.498 0.000 A 42 THR HA H 1 4.561 0.000 A 42 THR HB H 1 4.669 0.000 A 42 THR HG2% H 1 1.214 0.000 A 42 THR CA C 13 58.981 0.000 A 42 THR CB C 13 72.090 0.000 A 42 THR CG2 C 13 21.401 0.000 A 42 THR N N 15 115.020 0.000 A 43 ALA H H 1 9.327 0.000 A 43 ALA HA H 1 3.855 0.000 A 43 ALA HB% H 1 1.479 0.000 A 43 ALA CA C 13 55.732 0.000 A 43 ALA CB C 13 17.610 0.000 A 43 ALA N N 15 122.788 0.000 A 44 GLY H H 1 8.656 0.000 A 44 GLY HAx H 1 3.930 0.000 A 44 GLY HAy H 1 3.930 0.000 A 44 GLY CA C 13 46.739 0.000 A 44 GLY N N 15 106.792 0.000 A 45 ILE H H 1 7.615 0.000 A 45 ILE HA H 1 4.051 0.000 A 45 ILE HB H 1 2.153 0.000 A 45 ILE CA C 13 63.635 0.000 A 45 ILE CB C 13 36.930 0.000 A 45 ILE N N 15 123.559 0.000 A 46 VAL HA H 1 3.406 0.000 A 46 VAL HB H 1 2.311 0.000 A 46 VAL CA C 13 67.756 0.000 A 46 VAL CB C 13 31.379 0.000 A 47 ALA H H 1 7.997 0.000 A 47 ALA HA H 1 4.056 0.000 A 47 ALA HB% H 1 1.568 0.000 A 47 ALA CA C 13 55.429 0.000 A 47 ALA CB C 13 17.677 0.000 A 47 ALA N N 15 120.648 0.000 A 48 THR H H 1 8.274 0.000 A 48 THR HA H 1 3.761 0.000 A 48 THR HB H 1 4.100 0.000 A 48 THR HG2% H 1 0.608 0.000 A 48 THR CA C 13 66.722 0.000 A 48 THR CB C 13 68.288 0.000 A 48 THR CG2 C 13 21.438 0.000 A 48 THR N N 15 117.929 0.000 A 49 ALA H H 1 9.085 0.000 A 49 ALA HA H 1 3.700 0.000 A 49 ALA HB% H 1 1.484 0.000 A 49 ALA CA C 13 55.932 0.000 A 49 ALA CB C 13 19.711 0.000 A 49 ALA N N 15 123.752 0.000 A 50 LYS H H 1 8.689 0.000 A 50 LYS HA H 1 3.867 0.000 A 50 LYS HEx H 1 2.929 0.000 A 50 LYS HEy H 1 2.929 0.000 A 50 LYS CA C 13 60.607 0.000 A 50 LYS CE C 13 41.531 0.000 A 50 LYS N N 15 117.407 0.000 A 51 SER H H 1 7.654 0.000 A 51 SER HA H 1 4.206 0.000 A 51 SER HBx H 1 3.989 0.000 A 51 SER HBy H 1 3.989 0.000 A 51 SER CA C 13 61.386 0.000 A 51 SER CB C 13 62.492 0.000 A 51 SER N N 15 115.562 0.000 A 52 LEU H H 1 8.205 0.000 A 52 LEU HA H 1 4.133 0.000 A 52 LEU HBy H 1 2.005 0.000 A 52 LEU HBx H 1 1.224 0.000 A 52 LEU HDy% H 1 -0.108 0.000 A 52 LEU HG H 1 1.658 0.000 A 52 LEU CA C 13 57.792 0.000 A 52 LEU CB C 13 42.543 0.000 A 52 LEU CDy C 13 25.177 0.000 A 52 LEU CG C 13 25.522 0.000 A 52 LEU N N 15 121.671 0.000 A 53 ILE H H 1 8.705 0.000 A 53 ILE HA H 1 3.241 0.000 A 53 ILE HB H 1 1.832 0.000 A 53 ILE HG1y H 1 1.968 0.000 A 53 ILE HG1x H 1 0.566 0.000 A 53 ILE CA C 13 65.908 0.000 A 53 ILE CB C 13 38.809 0.000 A 53 ILE CG1 C 13 29.877 0.000 A 53 ILE N N 15 120.254 0.000 A 54 LYS H H 1 7.326 0.000 A 54 LYS HA H 1 3.961 0.000 A 54 LYS HEx H 1 2.953 0.000 A 54 LYS HEy H 1 2.953 0.000 A 54 LYS CA C 13 58.798 0.000 A 54 LYS CE C 13 41.695 0.000 A 54 LYS N N 15 117.733 0.000 A 55 LYS H H 1 7.691 0.000 A 55 LYS HA H 1 3.876 0.000 A 55 LYS HBy H 1 1.326 0.000 A 55 LYS HBx H 1 0.960 0.000 A 55 LYS HDy H 1 1.345 0.000 A 55 LYS HDx H 1 1.276 0.000 A 55 LYS HEx H 1 2.707 0.000 A 55 LYS HEy H 1 2.707 0.000 A 55 LYS HGy H 1 1.347 0.000 A 55 LYS HGx H 1 0.410 0.000 A 55 LYS CA C 13 58.747 0.000 A 55 LYS CB C 13 33.919 0.000 A 55 LYS CD C 13 29.057 0.000 A 55 LYS CE C 13 41.575 0.000 A 55 LYS CG C 13 24.783 0.000 A 55 LYS N N 15 116.446 0.000 A 56 TYR H H 1 8.406 0.000 A 56 TYR HA H 1 4.696 0.000 A 56 TYR HBy H 1 2.737 0.000 A 56 TYR HBx H 1 2.331 0.000 A 56 TYR CA C 13 57.205 0.000 A 56 TYR CB C 13 42.693 0.000 A 56 TYR N N 15 116.974 0.000 A 57 GLY HAy H 1 4.138 0.000 A 57 GLY CA C 13 44.246 0.000 A 58 ALA H H 1 8.783 0.000 A 58 ALA HA H 1 3.975 0.000 A 58 ALA HB% H 1 1.488 0.000 A 58 ALA CA C 13 55.606 0.000 A 58 ALA CB C 13 18.646 0.000 A 58 ALA N N 15 121.203 0.000 A 59 LYS H H 1 8.501 0.000 A 59 LYS HA H 1 4.078 0.000 A 59 LYS HBy H 1 1.926 0.000 A 59 LYS HBx H 1 1.888 0.000 A 59 LYS HDx H 1 1.749 0.000 A 59 LYS HDy H 1 1.749 0.000 A 59 LYS HEx H 1 3.027 0.000 A 59 LYS HEy H 1 3.027 0.000 A 59 LYS HGy H 1 1.602 0.000 A 59 LYS HGx H 1 1.430 0.000 A 59 LYS CA C 13 60.120 0.000 A 59 LYS CB C 13 32.627 0.000 A 59 LYS CD C 13 29.198 0.000 A 59 LYS CE C 13 41.752 0.000 A 59 LYS CG C 13 25.276 0.000 A 59 LYS N N 15 119.844 0.000 A 60 TYR H H 1 8.460 0.000 A 60 TYR HA H 1 4.082 0.000 A 60 TYR HBy H 1 2.996 0.000 A 60 TYR HBx H 1 2.924 0.000 A 60 TYR CA C 13 60.896 0.000 A 60 TYR CB C 13 38.927 0.000 A 60 TYR N N 15 122.422 0.000 A 61 ALA HB% H 1 1.495 0.000 A 61 ALA CB C 13 19.615 0.000 A 62 ALA HA H 1 3.970 0.000 A 62 ALA HB% H 1 1.468 0.000 A 62 ALA CA C 13 55.606 0.000 A 62 ALA CB C 13 17.374 0.000 A 63 ALA H H 1 7.744 0.000 A 63 ALA HA H 1 4.092 0.000 A 63 ALA HB% H 1 1.388 0.000 A 63 ALA CA C 13 54.806 0.000 A 63 ALA CB C 13 17.128 0.000 A 63 ALA N N 15 121.208 0.000 A 64 TRP H H 1 8.415 0.000 A 64 TRP HA H 1 3.989 0.000 A 64 TRP HBy H 1 3.584 0.000 A 64 TRP HBx H 1 2.888 0.000 A 64 TRP HZ2 H 1 7.425 0.000 A 64 TRP CA C 13 61.889 0.000 A 64 TRP CB C 13 28.639 0.000 A 64 TRP CZ2 C 13 14.923 0.000 A 64 TRP N N 15 119.465 0.000 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 14 LYS H A 14 LYS HA 1.0 0.0 2.82 2 2 A 14 LYS H A 13 LYS HBx 1.0 0.0 2.70 3 3 A 14 LYS H A 14 LYS HBy 1.0 0.0 2.74 4 4 A 14 LYS H A 14 LYS HDx 1.0 0.0 4.53 5 4 A 14 LYS H A 14 LYS HDy 1.0 0.0 4.53 6 5 A 14 LYS H A 14 LYS HGy 1.0 0.0 3.53 7 6 A 14 LYS H A 14 LYS HGx 1.0 0.0 3.53 8 7 A 14 LYS HBx A 15 VAL H 1.0 0.0 3.49 9 8 A 14 LYS HBy A 15 VAL H 1.0 0.0 2.89 10 9 A 14 LYS H A 15 VAL H 1.0 0.0 2.94 11 10 A 15 VAL H A 15 VAL HA 1.0 0.0 2.84 12 11 A 15 VAL H A 15 VAL HB 1.0 0.0 2.70 13 12 A 15 VAL H A 15 VAL HG11 1.0 0.0 3.81 14 13 A 15 VAL HB A 16 ILE H 1.0 0.0 2.54 15 14 A 16 ILE H A 1 LEU HDx% 1.0 0.0 3.38 16 14 A 16 ILE H A 1 LEU HDy% 1.0 0.0 3.38 17 15 A 15 VAL HG11 A 16 ILE H 1.0 0.0 3.47 18 16 A 15 VAL H A 16 ILE H 1.0 0.0 2.93 19 17 A 16 ILE H A 17 ASP H 1.0 0.0 3.91 20 18 A 15 VAL HA A 17 ASP H 1.0 0.0 4.80 21 19 A 16 ILE H A 16 ILE HA 1.0 0.0 2.94 22 20 A 49 ALA HA A 52 LEU H 1.0 0.0 4.01 23 21 A 54 LYS H A 55 LYS HGy 1.0 0.0 4.01 24 22 A 17 ASP H A 17 ASP HA 1.0 0.0 2.94 25 23 A 17 ASP H A 17 ASP HBy 1.0 0.0 2.98 26 24 A 17 ASP H A 17 ASP HBx 1.0 0.0 2.98 27 25 A 15 VAL HA A 18 ILE H 1.0 0.0 4.59 28 26 A 17 ASP H A 18 ILE H 1.0 0.0 4.04 29 27 A 18 ILE H A 19 ILE H 1.0 0.0 3.34 30 28 A 18 ILE H A 18 ILE HB 1.0 0.0 2.94 31 29 A 18 ILE H A 18 ILE HG1y 1.0 0.0 4.33 32 30 A 18 ILE H A 18 ILE HG21 1.0 0.0 4.47 33 31 A 18 ILE H A 18 ILE HD11 1.0 0.0 4.71 34 32 A 19 ILE H A 19 ILE HA 1.0 0.0 2.83 35 33 A 15 VAL HA A 19 ILE H 1.0 0.0 4.32 36 34 A 19 ILE H A 18 ILE HB 1.0 0.0 2.40 37 35 A 19 ILE H A 18 ILE HG21 1.0 0.0 3.33 38 36 A 19 ILE H A 19 ILE HG21 1.0 0.0 2.80 39 37 A 17 ASP HA A 19 ILE H 1.0 0.0 5.38 40 38 A 19 ILE H A 20 ASN H 1.0 0.0 3.48 41 39 A 17 ASP HA A 20 ASN H 1.0 0.0 3.90 42 40 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.20 43 41 A 20 ASN H A 20 ASN HBy 1.0 0.0 2.40 44 42 A 20 ASN HBx A 20 ASN HD2y 1.0 0.0 4.07 45 43 A 20 ASN HBy A 20 ASN HD2y 1.0 0.0 3.54 46 44 A 20 ASN HBx A 20 ASN HD2x 1.0 0.0 3.24 47 45 A 20 ASN HBy A 20 ASN HD2x 1.0 0.0 2.78 48 46 A 20 ASN H A 16 ILE HG21 1.0 0.0 4.23 49 47 A 53 ILE H A 53 ILE HG1y 1.0 0.0 2.44 50 48 A 20 ASN H A 21 THR H 1.0 0.0 2.83 51 49 A 13 LYS H A 13 LYS HBy 1.0 0.0 2.40 52 50 A 13 LYS HBx A 13 LYS H 1.0 0.0 2.85 53 51 A 13 LYS H A 13 LYS HDx 1.0 0.0 4.94 54 51 A 13 LYS H A 13 LYS HDy 1.0 0.0 4.94 55 52 A 55 LYS H A 54 LYS HDx 1.0 0.0 5.48 56 52 A 54 LYS HDy A 55 LYS H 1.0 0.0 5.48 57 53 A 13 LYS H A 12 ALA HB% 1.0 0.0 2.79 58 54 A 12 ALA HB% A 12 ALA H 1.0 0.0 2.77 59 55 A 13 LYS H A 12 ALA H 1.0 0.0 3.24 60 56 A 12 ALA H A 11 ALA H 1.0 0.0 3.07 61 57 A 11 ALA H A 11 ALA HB% 1.0 0.0 2.40 62 58 A 12 ALA H A 11 ALA HB% 1.0 0.0 3.13 63 59 A 11 ALA H A 11 ALA HA 1.0 0.0 2.86 64 60 A 11 ALA H A 8 SER HBy 1.0 0.0 3.83 65 61 A 11 ALA H A 10 TYR HBx 1.0 0.0 2.56 66 62 A 10 TYR HA A 10 TYR HD% 1.0 0.0 3.20 67 63 A 11 ALA HA A 10 TYR HD% 1.0 0.0 3.32 68 64 A 1 LEU HBy A 64 TRP HE3 1.0 0.0 4.05 69 65 A 20 ASN HBx A 21 THR H 1.0 0.0 3.09 70 66 A 20 ASN HBy A 21 THR H 1.0 0.0 3.82 71 67 A 21 THR H A 20 ASN HA 1.0 0.0 3.56 72 68 A 21 THR H A 21 THR HG2% 1.0 0.0 2.64 73 69 A 21 THR H A 18 ILE HA 1.0 0.0 3.76 74 70 A 64 TRP HBy A 64 TRP HD1 1.0 0.0 2.80 75 71 A 64 TRP HBy A 64 TRP H 1.0 0.0 2.88 76 72 A 64 TRP H A 64 TRP HBx 1.0 0.0 2.87 77 73 A 2 THR H A 2 THR HG2% 1.0 1.0 3.90 78 74 A 2 THR H A 2 THR HA 1.0 0.0 2.92 79 75 A 2 THR H A 2 THR HB 1.0 0.0 3.09 80 76 A 1 LEU HA A 5 LEU H 1.0 0.0 4.18 81 77 A 2 THR H A 3 ALA H 1.0 0.0 2.95 82 78 A 5 LEU H A 4 ASN H 1.0 0.0 3.10 83 79 A 2 THR HG2% A 3 ALA H 1.0 0.0 3.09 84 80 A 51 SER H A 51 SER HBx 1.0 0.0 2.40 85 80 A 51 SER H A 51 SER HBy 1.0 0.0 2.40 86 81 A 33 THR H A 33 THR HB 1.0 0.0 2.74 87 82 A 33 THR H A 33 THR HA 1.0 0.0 2.82 88 83 A 6 GLY HAy A 7 ILE H 1.0 0.0 3.40 89 84 A 7 ILE H A 7 ILE HB 1.0 0.0 3.75 90 85 A 7 ILE H A 5 LEU HBy 1.0 0.0 3.31 91 86 A 7 ILE H A 5 LEU HBx 1.0 0.0 4.30 92 87 A 7 ILE H A 7 ILE HG1y 1.0 0.0 2.92 93 87 A 7 ILE H A 7 ILE HG1x 1.0 0.0 2.92 94 88 A 2 THR HG2% A 7 ILE H 1.0 0.0 4.95 95 89 A 7 ILE H A 7 ILE HG2% 1.0 0.0 3.05 96 90 A 7 ILE H A 7 ILE HD1% 1.0 0.0 3.85 97 91 A 2 THR H A 7 ILE H 1.0 0.0 5.50 98 92 A 6 GLY HAy A 6 GLY H 1.0 0.0 2.40 99 93 A 6 GLY H A 5 LEU HA 1.0 0.0 3.56 100 94 A 5 LEU H A 5 LEU HBy 1.0 0.0 2.75 101 95 A 5 LEU H A 5 LEU HBx 1.0 0.0 3.79 102 96 A 5 LEU H A 5 LEU HG 1.0 0.0 2.82 103 97 A 5 LEU H A 5 LEU HD11 1.0 0.0 3.09 104 97 A 5 LEU H A 5 LEU HD21 1.0 0.0 3.09 105 98 A 5 LEU HBy A 6 GLY H 1.0 0.0 3.18 106 99 A 2 THR HA A 6 GLY H 1.0 0.0 3.31 107 100 A 5 LEU H A 4 ASN HBy 1.0 0.0 3.05 108 101 A 5 LEU H A 6 GLY H 1.0 0.0 2.55 109 102 A 5 LEU H A 7 ILE H 1.0 0.0 4.70 110 103 A 3 ALA H A 6 GLY H 1.0 0.0 5.50 111 104 A 7 ILE H A 6 GLY H 1.0 0.0 2.89 112 105 A 4 ASN H A 4 ASN HBy 1.0 0.0 2.40 113 106 A 5 LEU H A 4 ASN HBx 1.0 0.0 3.70 114 107 A 4 ASN H A 6 GLY H 1.0 0.0 3.66 115 108 A 3 ALA H A 3 ALA HA 1.0 0.0 2.90 116 109 A 1 LEU HA A 4 ASN H 1.0 0.0 3.82 117 110 A 3 ALA H A 3 ALA HB% 1.0 0.0 2.40 118 111 A 2 THR HA A 7 ILE H 1.0 0.0 2.75 119 112 A 8 SER H A 8 SER HA 1.0 0.0 2.86 120 113 A 8 SER H A 7 ILE HA 1.0 0.0 2.70 121 114 A 7 ILE HB A 8 SER H 1.0 0.0 2.40 122 115 A 8 SER H A 7 ILE HG1y 1.0 0.0 3.74 123 115 A 7 ILE HG1x A 8 SER H 1.0 0.0 3.74 124 116 A 11 ALA HB% A 8 SER H 1.0 0.0 3.92 125 117 A 7 ILE H A 8 SER H 1.0 0.0 4.64 126 118 A 56 TYR H A 56 TYR HBx 1.0 0.0 3.65 127 119 A 56 TYR H A 56 TYR HBy 1.0 0.0 2.79 128 120 A 56 TYR HBy A 57 GLY H 1.0 0.0 3.94 129 121 A 57 GLY H A 53 ILE HA 1.0 0.0 3.45 130 122 A 57 GLY H A 57 GLY HAx 1.0 0.0 2.70 131 123 A 56 TYR H A 52 LEU HA 1.0 0.0 3.32 132 124 A 56 TYR HA A 56 TYR HD% 1.0 0.0 2.58 133 125 A 56 TYR H A 57 GLY H 1.0 0.0 2.71 134 126 A 40 LEU H A 41 ILE H 1.0 0.0 3.48 135 127 A 62 ALA H A 63 ALA H 1.0 0.0 2.89 136 128 A 63 ALA H A 63 ALA HA 1.0 0.0 2.94 137 129 A 63 ALA H A 63 ALA HB% 1.0 0.0 2.40 138 130 A 64 TRP H A 61 ALA HA 1.0 0.0 3.27 139 131 A 62 ALA H A 62 ALA HA 1.0 0.0 2.79 140 132 A 62 ALA H A 62 ALA HB% 1.0 0.0 2.58 141 133 A 63 ALA H A 62 ALA HB% 1.0 0.0 2.72 142 134 A 33 THR H A 30 ALA HA 1.0 0.0 3.81 143 135 A 61 ALA H A 61 ALA HB% 1.0 0.0 2.71 144 136 A 62 ALA H A 61 ALA H 1.0 0.0 5.50 145 137 A 61 ALA H A 60 TYR HBx 1.0 0.0 3.17 146 138 A 33 THR H A 32 VAL H 1.0 0.0 2.91 147 139 A 32 VAL H A 32 VAL HA 1.0 0.0 2.90 148 140 A 32 VAL H A 32 VAL HB 1.0 0.0 2.85 149 141 A 32 VAL H A 31 LEU H 1.0 0.0 2.84 150 142 A 32 VAL H A 31 LEU HA 1.0 0.0 3.54 151 143 A 31 LEU H A 31 LEU HBy 1.0 0.0 2.40 152 144 A 31 LEU H A 31 LEU HBx 1.0 0.0 4.02 153 145 A 41 ILE H A 40 LEU HBx 1.0 0.0 4.20 154 146 A 32 VAL H A 31 LEU HBy 1.0 0.0 2.95 155 147 A 32 VAL H A 31 LEU HBx 1.0 0.0 3.69 156 148 A 18 ILE HB A 32 VAL H 1.0 0.0 5.50 157 149 A 32 VAL H A 31 LEU HG 1.0 0.0 5.50 158 150 A 31 LEU H A 30 ALA HB% 1.0 0.0 3.01 159 151 A 31 LEU H A 31 LEU HG 1.0 0.0 3.00 160 152 A 48 THR HB A 49 ALA H 1.0 0.0 2.56 161 153 A 49 ALA HA A 49 ALA H 1.0 0.0 2.84 162 154 A 49 ALA H A 50 LYS H 1.0 0.0 3.05 163 155 A 49 ALA H A 48 THR H 1.0 0.0 2.85 164 156 A 49 ALA H A 49 ALA HB% 1.0 0.0 2.40 165 157 A 49 ALA H A 48 THR HG2% 1.0 0.0 3.35 166 158 A 48 THR H A 48 THR HG2% 1.0 0.0 3.97 167 159 A 48 THR H A 47 ALA HB% 1.0 0.0 2.91 168 160 A 47 ALA HB% A 47 ALA H 1.0 0.0 2.40 169 161 A 48 THR HB A 48 THR H 1.0 0.0 2.57 170 162 A 48 THR H A 45 ILE HA 1.0 0.0 3.88 171 163 A 47 ALA H A 47 ALA HA 1.0 0.0 2.93 172 164 A 48 THR H A 47 ALA H 1.0 0.0 2.84 173 165 A 47 ALA H A 46 VAL HB 1.0 0.0 2.71 174 166 A 47 ALA H A 46 VAL HG11 1.0 0.0 3.50 175 167 A 47 ALA H A 46 VAL H 1.0 0.0 3.11 176 168 A 46 VAL HB A 46 VAL H 1.0 0.0 2.66 177 169 A 46 VAL H A 46 VAL HG21 1.0 0.0 2.40 178 170 A 46 VAL HG11 A 46 VAL H 1.0 0.0 3.84 179 171 A 36 VAL HG11 A 37 GLY H 1.0 0.0 4.31 180 172 A 47 ALA H A 46 VAL HG21 1.0 0.0 4.57 181 173 A 45 ILE HA A 45 ILE H 1.0 0.0 2.92 182 174 A 46 VAL H A 45 ILE H 1.0 0.0 2.68 183 175 A 38 GLY H A 37 GLY HAy 1.0 0.0 3.34 184 176 A 50 LYS H A 50 LYS HA 1.0 0.0 2.84 185 177 A 51 SER H A 50 LYS H 1.0 0.0 2.83 186 178 A 52 LEU H A 51 SER H 1.0 0.0 2.83 187 179 A 52 LEU H A 53 ILE H 1.0 0.0 3.35 188 180 A 52 LEU H A 51 SER HBx 1.0 0.0 3.02 189 180 A 52 LEU H A 51 SER HBy 1.0 0.0 3.02 190 181 A 52 LEU H A 52 LEU HBy 1.0 0.0 2.78 191 182 A 52 LEU H A 52 LEU HG 1.0 0.0 2.44 192 183 A 52 LEU H A 52 LEU HBx 1.0 0.0 3.63 193 184 A 52 LEU H A 52 LEU HD11 1.0 0.0 3.49 194 185 A 50 LYS H A 52 LEU HD11 1.0 0.0 5.50 195 186 A 53 ILE H A 52 LEU HBy 1.0 0.0 3.46 196 187 A 53 ILE H A 52 LEU HBx 1.0 0.0 4.15 197 188 A 53 ILE H A 52 LEU HG 1.0 0.0 4.46 198 189 A 54 LYS H A 53 ILE H 1.0 0.0 2.74 199 190 A 50 LYS H A 51 SER HBx 1.0 0.0 4.97 200 190 A 51 SER HBy A 50 LYS H 1.0 0.0 4.97 201 191 A 53 ILE H A 51 SER HBx 1.0 0.0 5.28 202 191 A 53 ILE H A 51 SER HBy 1.0 0.0 5.28 203 192 A 54 LYS H A 53 ILE HA 1.0 0.0 3.49 204 193 A 54 LYS H A 54 LYS HBx 1.0 0.0 2.40 205 193 A 54 LYS H A 54 LYS HBy 1.0 0.0 2.40 206 194 A 54 LYS H A 54 LYS HDx 1.0 0.0 4.69 207 194 A 54 LYS H A 54 LYS HDy 1.0 0.0 4.69 208 195 A 64 TRP HE3 A 49 ALA HB% 1.0 0.0 4.07 209 196 A 54 LYS H A 54 LYS HA 1.0 0.0 2.92 210 197 A 54 LYS H A 55 LYS H 1.0 0.0 2.55 211 198 A 55 LYS H A 55 LYS HBx 1.0 0.0 3.38 212 199 A 55 LYS H A 55 LYS HGx 1.0 0.0 4.23 213 200 A 55 LYS HGy A 56 TYR H 1.0 0.0 3.58 214 201 A 56 TYR H A 55 LYS HGx 1.0 0.0 4.62 215 202 A 56 TYR H A 55 LYS HBx 1.0 0.0 4.36 216 203 A 56 TYR H A 53 ILE HA 1.0 0.0 4.04 217 204 A 55 LYS H A 56 TYR H 1.0 0.0 2.56 218 205 A 55 LYS H A 56 TYR HD% 1.0 0.0 4.82 219 206 A 56 TYR H A 56 TYR HD% 1.0 0.0 3.12 220 207 A 61 ALA H A 60 TYR HBy 1.0 0.0 3.99 221 208 A 10 TYR HE% A 14 LYS HEx 1.0 0.0 3.57 222 208 A 10 TYR HE% A 14 LYS HEy 1.0 0.0 3.57 223 209 A 1 LEU HG A 64 TRP HZ3 1.0 0.0 3.88 224 210 A 56 TYR HD% A 60 TYR HBx 1.0 0.0 4.20 225 211 A 64 TRP HBx A 60 TYR HE% 1.0 0.0 3.82 226 212 A 64 TRP HBx A 60 TYR HD% 1.0 0.0 3.99 227 213 A 30 ALA HB% A 30 ALA H 1.0 0.0 2.40 228 214 A 31 LEU H A 31 LEU HD11 1.0 0.0 3.43 229 214 A 31 LEU H A 31 LEU HD21 1.0 0.0 3.43 230 215 A 31 LEU H A 28 ILE HA 1.0 0.0 3.34 231 216 A 31 LEU H A 30 ALA H 1.0 0.0 2.56 232 217 A 32 VAL H A 32 VAL HG21 1.0 0.0 2.59 233 218 A 33 THR H A 32 VAL HG11 1.0 0.0 3.95 234 219 A 33 THR H A 32 VAL HB 1.0 0.0 2.79 235 220 A 29 ILE H A 29 ILE HA 1.0 0.0 2.76 236 221 A 30 ALA H A 29 ILE HA 1.0 0.0 3.56 237 222 A 30 ALA H A 28 ILE HA 1.0 0.0 4.52 238 223 A 30 ALA H A 29 ILE H 1.0 0.0 3.07 239 224 A 45 ILE H A 44 GLY H 1.0 0.0 3.21 240 225 A 29 ILE H A 28 ILE H 1.0 0.0 2.66 241 226 A 32 VAL H A 29 ILE HA 1.0 0.0 4.01 242 227 A 32 VAL H A 28 ILE HA 1.0 0.0 4.48 243 228 A 28 ILE H A 28 ILE HB 1.0 0.0 2.55 244 229 A 29 ILE H A 28 ILE HB 1.0 0.0 2.70 245 230 A 28 ILE H A 28 ILE HG1x 1.0 0.0 2.55 246 230 A 28 ILE H A 28 ILE HG1y 1.0 0.0 2.55 247 231 A 30 ALA H A 29 ILE HB 1.0 0.0 2.74 248 232 A 29 ILE H A 29 ILE HB 1.0 0.0 2.70 249 233 A 28 ILE H A 27 THR HB 1.0 0.0 3.06 250 234 A 28 ILE H A 25 VAL HA 1.0 0.0 3.70 251 235 A 27 THR HB A 27 THR H 1.0 0.0 2.55 252 236 A 25 VAL HA A 27 THR H 1.0 0.0 4.10 253 237 A 27 THR H A 27 THR HG2% 1.0 0.0 3.86 254 238 A 28 ILE H A 27 THR H 1.0 0.0 2.55 255 239 A 29 ILE H A 27 THR H 1.0 0.0 4.41 256 240 A 26 ALA H A 26 ALA HB% 1.0 0.0 2.40 257 241 A 27 THR H A 26 ALA HA 1.0 0.0 3.48 258 242 A 35 VAL HB A 36 VAL H 1.0 0.0 2.70 259 243 A 36 VAL H A 35 VAL HG11 1.0 0.0 3.27 260 243 A 36 VAL H A 35 VAL HG21 1.0 0.0 3.27 261 244 A 36 VAL H A 36 VAL HG21 1.0 0.0 2.40 262 245 A 35 VAL H A 35 VAL HG11 1.0 0.0 2.55 263 245 A 35 VAL HG21 A 35 VAL H 1.0 0.0 2.55 264 246 A 35 VAL HB A 35 VAL H 1.0 0.0 2.55 265 247 A 36 VAL H A 35 VAL H 1.0 0.0 2.40 266 248 A 34 ALA H A 34 ALA HB% 1.0 0.0 2.40 267 249 A 35 VAL H A 34 ALA H 1.0 0.0 2.57 268 250 A 32 VAL HA A 35 VAL H 1.0 0.0 3.58 269 251 A 33 THR HB A 34 ALA H 1.0 0.0 3.24 270 252 A 34 ALA H A 33 THR HG2% 1.0 0.0 4.06 271 253 A 37 GLY H A 36 VAL HB 1.0 0.0 4.21 272 254 A 37 GLY H A 37 GLY HAx 1.0 0.0 2.90 273 255 A 37 GLY H A 37 GLY HAy 1.0 0.0 2.90 274 256 A 38 GLY H A 37 GLY HAx 1.0 0.0 3.34 275 257 A 15 VAL H A 11 ALA HA 1.0 0.0 3.90 276 258 A 45 ILE H A 45 ILE HB 1.0 0.0 2.55 277 259 A 45 ILE H A 45 ILE HD11 1.0 0.0 3.44 278 260 A 45 ILE H A 42 THR HB 1.0 0.0 4.35 279 261 A 42 THR HB A 42 THR H 1.0 0.0 3.81 280 262 A 45 ILE H A 42 THR H 1.0 0.0 3.08 281 263 A 21 THR H A 21 THR HB 1.0 0.0 3.78 282 264 A 21 THR HB A 22 GLY H 1.0 0.0 3.50 283 265 A 40 LEU H A 39 GLY H 1.0 0.0 2.65 284 266 A 10 TYR HA A 10 TYR H 1.0 0.0 2.87 285 267 A 10 TYR H A 10 TYR HBy 1.0 0.0 2.40 286 268 A 10 TYR HBx A 10 TYR H 1.0 0.0 2.85 287 269 A 10 TYR HD% A 10 TYR H 1.0 0.0 4.21 288 270 A 11 ALA H A 10 TYR HD% 1.0 0.0 3.67 289 271 A 37 GLY H A 38 GLY H 1.0 0.0 4.46 290 272 A 15 VAL H A 13 LYS H 1.0 0.0 4.26 291 273 A 16 ILE H A 13 LYS HA 1.0 0.0 3.70 292 274 A 12 ALA H A 9 SER HA 1.0 0.0 4.02 293 275 A 27 THR H A 26 ALA HB% 1.0 0.0 3.02 294 276 A 27 THR H A 26 ALA H 1.0 0.0 2.78 295 277 A 46 VAL HG11 A 28 ILE HB 1.0 0.0 5.50 296 278 A 25 VAL HA A 25 VAL H 1.0 0.0 2.93 297 279 A 25 VAL H A 25 VAL HB 1.0 0.0 2.70 298 280 A 25 VAL H A 25 VAL HG21 1.0 0.0 2.40 299 281 A 25 VAL H A 25 VAL HG11 1.0 0.0 3.83 300 282 A 26 ALA H A 25 VAL HB 1.0 0.0 2.51 301 283 A 26 ALA H A 25 VAL HG11 1.0 0.0 3.46 302 284 A 26 ALA H A 25 VAL HG21 1.0 0.0 3.87 303 285 A 25 VAL H A 24 ALA HA 1.0 0.0 2.40 304 286 A 26 ALA H A 25 VAL H 1.0 0.0 4.24 305 287 A 25 VAL H A 24 ALA H 1.0 0.0 4.66 306 288 A 24 ALA H A 23 SER HBx 1.0 0.0 2.71 307 289 A 24 ALA H A 23 SER HBy 1.0 0.0 3.11 308 290 A 24 ALA H A 24 ALA HB% 1.0 0.0 2.40 309 291 A 27 THR HG2% A 24 ALA H 1.0 0.0 4.10 310 292 A 16 ILE H A 19 ILE HD11 1.0 0.0 4.78 311 293 A 24 ALA H A 28 ILE HD11 1.0 0.0 4.96 312 294 A 25 VAL H A 24 ALA HB% 1.0 0.0 3.30 313 295 A 23 SER HBx A 23 SER H 1.0 0.0 3.71 314 296 A 23 SER HBy A 23 SER H 1.0 0.0 2.79 315 297 A 27 THR HB A 24 ALA H 1.0 0.0 3.30 316 298 A 24 ALA H A 23 SER H 1.0 0.0 3.10 317 299 A 22 GLY H A 22 GLY HAx 1.0 0.0 2.87 318 300 A 22 GLY H A 22 GLY HAy 1.0 0.0 2.87 319 301 A 21 THR H A 22 GLY H 1.0 0.0 2.88 320 302 A 21 THR HG2% A 22 GLY H 1.0 0.0 3.92 321 303 A 40 LEU HA A 5 LEU HD11 1.0 0.0 5.50 322 303 A 5 LEU HD21 A 40 LEU HA 1.0 0.0 5.50 323 304 A 40 LEU H A 40 LEU HD21 1.0 0.0 4.01 324 305 A 40 LEU H A 40 LEU HD11 1.0 0.0 4.01 325 306 A 40 LEU H A 40 LEU HBy 1.0 0.0 2.61 326 307 A 40 LEU H A 40 LEU HG 1.0 0.0 2.91 327 308 A 44 GLY H A 42 THR HB 1.0 0.0 3.03 328 309 A 44 GLY H A 42 THR HA 1.0 0.0 4.57 329 310 A 60 TYR HBy A 60 TYR H 1.0 0.0 2.85 330 311 A 60 TYR HBx A 60 TYR H 1.0 0.0 2.40 331 312 A 10 TYR HA A 10 TYR HE% 1.0 0.0 4.80 332 313 A 60 TYR HD% A 60 TYR HA 1.0 0.0 3.08 333 314 A 61 ALA H A 60 TYR H 1.0 0.0 3.37 334 315 A 60 TYR HD% A 60 TYR H 1.0 0.0 4.24 335 316 A 61 ALA H A 60 TYR HD% 1.0 0.0 4.20 336 317 A 31 LEU H A 29 ILE HA 1.0 0.0 5.27 337 318 A 51 SER H A 49 ALA H 1.0 0.0 4.65 338 319 A 4 ASN HD2y A 64 TRP HE1 1.0 0.0 3.98 339 320 A 64 TRP HE1 A 4 ASN HD2x 1.0 0.0 3.08 340 321 A 42 THR HB A 43 ALA H 1.0 0.0 2.40 341 322 A 42 THR HA A 43 ALA H 1.0 0.0 2.70 342 323 A 43 ALA H A 43 ALA HA 1.0 0.0 2.82 343 324 A 43 ALA H A 43 ALA HB% 1.0 0.0 2.40 344 325 A 43 ALA H A 42 THR HG2% 1.0 0.0 3.54 345 326 A 43 ALA H A 29 ILE HD11 1.0 0.0 3.33 346 327 A 46 VAL H A 43 ALA HA 1.0 0.0 3.80 347 328 A 44 GLY H A 43 ALA H 1.0 0.0 3.01 348 329 A 44 GLY H A 44 GLY HAx 1.0 0.0 2.40 349 329 A 44 GLY H A 44 GLY HAy 1.0 0.0 2.40 350 330 A 44 GLY H A 43 ALA HB% 1.0 0.0 2.85 351 331 A 45 ILE H A 43 ALA HA 1.0 0.0 4.66 352 332 A 45 ILE H A 44 GLY HAx 1.0 0.0 2.79 353 332 A 45 ILE H A 44 GLY HAy 1.0 0.0 2.79 354 333 A 8 SER HBy A 9 SER H 1.0 0.0 2.84 355 334 A 9 SER H A 9 SER HBx 1.0 0.0 2.40 356 334 A 9 SER H A 9 SER HBy 1.0 0.0 2.40 357 335 A 10 TYR H A 9 SER H 1.0 0.0 2.72 358 336 A 8 SER H A 9 SER H 1.0 0.0 5.50 359 337 A 10 TYR H A 9 SER HBx 1.0 0.0 3.08 360 337 A 10 TYR H A 9 SER HBy 1.0 0.0 3.08 361 338 A 52 LEU HD11 A 64 TRP HE1 1.0 0.0 3.56 362 339 A 48 THR HG2% A 64 TRP HE1 1.0 0.0 4.01 363 340 A 64 TRP HE1 A 52 LEU HDy% 1.0 0.0 4.34 364 341 A 4 ASN HBy A 64 TRP HE1 1.0 0.0 5.20 365 342 A 42 THR H A 41 ILE HA 1.0 0.0 2.46 366 343 A 53 ILE H A 53 ILE HG21 1.0 0.0 3.26 367 344 A 15 VAL HA A 18 ILE HG1x 1.0 0.0 5.50 368 345 A 46 VAL HG21 A 29 ILE H 1.0 0.0 3.54 369 346 A 29 ILE H A 29 ILE HD11 1.0 0.0 3.27 370 347 A 57 GLY H A 58 ALA H 1.0 0.0 4.78 371 348 A 58 ALA H A 57 GLY HAy 1.0 0.0 2.97 372 349 A 58 ALA H A 58 ALA HA 1.0 0.0 2.86 373 350 A 57 GLY HAx A 58 ALA H 1.0 0.0 2.40 374 351 A 53 ILE HA A 58 ALA H 1.0 0.0 3.68 375 352 A 57 GLY HAy A 59 LYS H 1.0 0.0 3.60 376 353 A 58 ALA HA A 59 LYS H 1.0 0.0 3.46 377 354 A 59 LYS H A 59 LYS HBx 1.0 0.0 3.17 378 355 A 59 LYS H A 59 LYS HDx 1.0 0.0 4.60 379 355 A 59 LYS H A 59 LYS HDy 1.0 0.0 4.60 380 356 A 58 ALA H A 58 ALA HB% 1.0 0.0 2.40 381 357 A 59 LYS H A 58 ALA HB% 1.0 0.0 3.12 382 358 A 16 ILE H A 16 ILE HB 1.0 0.0 2.70 383 359 A 41 ILE H A 41 ILE HG1x 1.0 0.0 3.18 384 359 A 41 ILE H A 41 ILE HG1y 1.0 0.0 3.18 385 360 A 41 ILE H A 41 ILE HD11 1.0 0.0 3.17 386 361 A 55 LYS HBx A 55 LYS HEx 1.0 0.0 5.50 387 361 A 55 LYS HBx A 55 LYS HEy 1.0 0.0 5.50 388 362 A 49 ALA H A 52 LEU HD11 1.0 0.0 4.61 389 363 A 52 LEU HD11 A 64 TRP HZ2 1.0 0.0 3.94 390 364 A 64 TRP HE3 A 52 LEU HD11 1.0 0.0 3.40 391 365 A 52 LEU HD11 A 64 TRP HH2 1.0 0.0 5.04 392 366 A 52 LEU HD11 A 64 TRP HZ3 1.0 0.0 4.19 393 367 A 56 TYR HD% A 52 LEU HD11 1.0 0.0 4.07 394 368 A 52 LEU HD11 A 60 TYR HD% 1.0 0.0 3.55 395 369 A 52 LEU HD11 A 56 TYR HE% 1.0 0.0 4.42 396 370 A 52 LEU HD11 A 60 TYR HE% 1.0 0.0 2.82 397 371 A 56 TYR HD% A 55 LYS HGx 1.0 0.0 3.70 398 372 A 55 LYS HGx A 56 TYR HE% 1.0 0.0 4.18 399 373 A 52 LEU H A 52 LEU HDy% 1.0 0.0 3.41 400 374 A 56 TYR HD% A 52 LEU HDy% 1.0 0.0 2.55 401 375 A 60 TYR HE% A 52 LEU HDy% 1.0 0.0 2.55 402 376 A 52 LEU HBx A 60 TYR HD% 1.0 0.0 2.55 403 377 A 42 THR H A 42 THR HG2% 1.0 0.0 3.31 404 378 A 52 LEU HBx A 60 TYR HE% 1.0 0.0 3.43 405 379 A 52 LEU HBy A 60 TYR HD% 1.0 0.0 3.43 406 380 A 56 TYR HBx A 60 TYR HD% 1.0 0.0 2.94 407 381 A 56 TYR HBy A 60 TYR HD% 1.0 0.0 2.90 408 382 A 56 TYR HBx A 60 TYR HE% 1.0 0.0 4.18 409 383 A 56 TYR HBy A 60 TYR HE% 1.0 0.0 4.38 410 384 A 52 LEU HA A 56 TYR HD% 1.0 0.0 3.03 411 385 A 52 LEU HA A 56 TYR HE% 1.0 0.0 3.54 412 386 A 56 TYR HD% A 52 LEU HBy 1.0 0.0 4.13 413 387 A 56 TYR HD% A 52 LEU HG 1.0 0.0 4.71 414 388 A 60 TYR HD% A 52 LEU HDy% 1.0 0.0 3.70 415 389 A 52 LEU HDy% A 56 TYR HE% 1.0 0.0 2.40 416 390 A 4 ASN HD2y A 4 ASN HA 1.0 0.0 4.43 417 391 A 64 TRP HA A 4 ASN HD2x 1.0 0.0 3.67 418 392 A 64 TRP HA A 4 ASN HD2y 1.0 0.0 3.18 419 393 A 4 ASN HBx A 4 ASN HD2x 1.0 0.0 4.09 420 394 A 4 ASN HBy A 4 ASN HD2x 1.0 0.0 3.56 421 395 A 3 ALA HB% A 4 ASN HD2x 1.0 0.0 3.52 422 396 A 3 ALA HB% A 4 ASN HD2y 1.0 0.0 2.93 423 397 A 4 ASN HBy A 4 ASN HD2y 1.0 0.0 2.49 424 398 A 52 LEU H A 48 THR HG2% 1.0 0.0 4.68 425 399 A 1 LEU HBy A 2 THR H 1.0 0.0 2.67 426 400 A 2 THR H A 1 LEU HG 1.0 0.0 5.18 427 401 A 4 ASN HD2y A 64 TRP HZ2 1.0 0.0 5.02 428 402 A 4 ASN HD2x A 64 TRP HZ2 1.0 0.0 5.22 429 403 A 64 TRP HD1 A 4 ASN HD2y 1.0 0.0 3.81 430 404 A 48 THR HG2% A 64 TRP HZ2 1.0 0.0 2.88 431 405 A 48 THR HG2% A 64 TRP HH2 1.0 0.0 3.14 432 406 A 48 THR HG2% A 64 TRP HZ3 1.0 0.0 4.18 433 407 A 64 TRP HE3 A 48 THR HG2% 1.0 0.0 4.75 434 408 A 64 TRP HE3 A 5 LEU HD11 1.0 0.0 4.38 435 408 A 64 TRP HE3 A 5 LEU HD21 1.0 0.0 4.38 436 409 A 64 TRP HH2 A 5 LEU HD11 1.0 0.0 4.34 437 409 A 5 LEU HD21 A 64 TRP HH2 1.0 0.0 4.34 438 410 A 64 TRP HZ3 A 5 LEU HD11 1.0 0.0 3.61 439 410 A 5 LEU HD21 A 64 TRP HZ3 1.0 0.0 3.61 440 411 A 45 ILE HD11 A 64 TRP HZ2 1.0 0.0 3.97 441 412 A 45 ILE HD11 A 64 TRP HH2 1.0 0.0 2.88 442 413 A 64 TRP HZ3 A 1 LEU HDx% 1.0 0.0 2.40 443 413 A 1 LEU HDy% A 64 TRP HZ3 1.0 0.0 2.40 444 414 A 64 TRP HE3 A 1 LEU HDx% 1.0 0.0 2.70 445 414 A 1 LEU HDy% A 64 TRP HE3 1.0 0.0 2.70 446 415 A 64 TRP HH2 A 1 LEU HDx% 1.0 0.0 3.91 447 415 A 1 LEU HDy% A 64 TRP HH2 1.0 0.0 3.91 448 416 A 49 ALA HB% A 64 TRP HZ3 1.0 0.0 3.17 449 417 A 64 TRP HE3 A 64 TRP HBx 1.0 0.0 2.63 450 418 A 64 TRP HE3 A 1 LEU HA 1.0 0.0 2.55 451 419 A 64 TRP HD1 A 64 TRP HA 1.0 0.0 3.20 452 420 A 64 TRP HE3 A 61 ALA HA 1.0 0.0 3.70 453 421 A 32 VAL HA A 34 ALA H 1.0 0.0 4.11 454 422 A 45 ILE HA A 64 TRP HH2 1.0 0.0 3.16 455 423 A 45 ILE HA A 64 TRP HZ3 1.0 0.0 4.61 456 424 A 1 LEU HA A 64 TRP HZ3 1.0 0.0 3.46 457 425 A 56 TYR HD% A 55 LYS HDx 1.0 0.0 4.16 458 426 A 56 TYR HD% A 52 LEU HBx 1.0 0.0 2.88 459 427 A 56 TYR HD% A 55 LYS HBy 1.0 0.0 3.16 460 428 A 56 TYR HD% A 55 LYS HDy 1.0 0.0 4.16 461 429 A 61 ALA HB% A 60 TYR HD% 1.0 0.0 3.52 462 430 A 10 TYR HE% A 14 LYS HDx 1.0 0.0 3.41 463 430 A 14 LYS HDy A 10 TYR HE% 1.0 0.0 3.41 464 431 A 56 TYR HE% A 55 LYS HBy 1.0 0.0 3.34 465 432 A 56 TYR HE% A 55 LYS HDy 1.0 0.0 3.28 466 433 A 55 LYS HGy A 55 LYS H 1.0 0.0 2.49 467 434 A 56 TYR H A 55 LYS HBy 1.0 0.0 3.03 468 435 A 56 TYR HE% A 55 LYS HDx 1.0 0.0 3.28 469 436 A 2 THR H A 1 LEU HDx% 1.0 0.0 4.07 470 436 A 1 LEU HDy% A 2 THR H 1.0 0.0 4.07 471 437 A 2 THR H A 1 LEU HBx 1.0 0.0 3.31 472 438 A 5 LEU HBx A 6 GLY H 1.0 0.0 4.13 473 439 A 2 THR HG2% A 6 GLY H 1.0 0.0 4.92 474 440 A 6 GLY H A 5 LEU HD11 1.0 0.0 4.18 475 440 A 6 GLY H A 5 LEU HD21 1.0 0.0 4.18 476 441 A 15 VAL HG11 A 19 ILE HD11 1.0 0.0 5.50 477 442 A 15 VAL HG11 A 41 ILE HG21 1.0 0.0 5.50 478 443 A 18 ILE HD11 A 41 ILE HG21 1.0 0.0 5.50 479 444 A 13 LYS HA A 13 LYS HDx 1.0 0.0 5.50 480 444 A 13 LYS HDy A 13 LYS HA 1.0 0.0 5.50 481 445 A 1 LEU HDy% A 5 LEU HD11 1.0 0.0 5.50 482 445 A 1 LEU HDx% A 5 LEU HD11 1.0 0.0 5.50 483 445 A 5 LEU HD21 A 1 LEU HDx% 1.0 0.0 5.50 484 445 A 1 LEU HDy% A 5 LEU HD21 1.0 0.0 5.50 485 446 A 17 ASP H A 16 ILE HB 1.0 0.0 2.93 486 447 A 16 ILE H A 16 ILE HG1y 1.0 0.0 2.40 487 448 A 16 ILE H A 16 ILE HD1% 1.0 0.0 3.58 488 449 A 62 ALA H A 16 ILE HD1% 1.0 0.0 3.80 489 450 A 16 ILE H A 16 ILE HG1x 1.0 0.0 3.61 490 451 A 17 ASP H A 18 ILE HG1x 1.0 0.0 4.63 491 452 A 17 ASP H A 16 ILE HD1% 1.0 0.0 5.15 492 453 A 46 VAL H A 29 ILE HD11 1.0 0.0 5.50 493 454 A 18 ILE H A 18 ILE HG1x 1.0 0.0 3.05 494 455 A 49 ALA HA A 52 LEU HDy% 1.0 0.0 5.50 495 456 A 7 ILE HD1% A 15 VAL HG21 1.0 0.0 5.50 496 457 A 28 ILE H A 27 THR HG2% 1.0 0.0 3.84 497 458 A 27 THR H A 24 ALA HB% 1.0 0.0 2.54 498 459 A 15 VAL HG11 A 1 LEU HDx% 1.0 0.0 5.50 499 459 A 15 VAL HG11 A 1 LEU HDy% 1.0 0.0 5.50 500 460 A 18 ILE HG21 A 28 ILE HG21 1.0 0.0 5.50 501 461 A 50 LYS H A 19 ILE HD11 1.0 0.0 3.81 502 462 A 20 ASN HD2y A 58 ALA HB% 1.0 0.0 3.54 503 463 A 26 ALA H A 24 ALA HB% 1.0 0.0 3.44 504 464 A 26 ALA H A 24 ALA HA 1.0 0.0 4.69 505 465 A 29 ILE H A 26 ALA HB% 1.0 0.0 5.16 506 466 A 48 THR H A 46 VAL HA 1.0 0.0 5.50 507 467 A 50 LYS H A 46 VAL HA 1.0 0.0 4.15 508 468 A 28 ILE H A 28 ILE HD11 1.0 0.0 3.28 509 469 A 29 ILE H A 28 ILE HG21 1.0 0.0 3.53 510 470 A 35 VAL H A 34 ALA HB% 1.0 0.0 3.25 511 471 A 36 VAL HG11 A 36 VAL H 1.0 0.0 2.67 512 472 A 37 GLY H A 36 VAL HG21 1.0 0.0 3.39 513 473 A 47 ALA H A 44 GLY HAx 1.0 0.0 4.02 514 473 A 47 ALA H A 44 GLY HAy 1.0 0.0 4.02 515 474 A 48 THR H A 44 GLY HAx 1.0 0.0 4.50 516 474 A 48 THR H A 44 GLY HAy 1.0 0.0 4.50 517 475 A 49 ALA H A 41 ILE HG21 1.0 0.0 5.50 518 476 A 49 ALA H A 1 LEU HDx% 1.0 0.0 4.57 519 476 A 1 LEU HDy% A 49 ALA H 1.0 0.0 4.57 520 477 A 49 ALA H A 52 LEU HG 1.0 0.0 4.89 521 478 A 49 ALA H A 47 ALA HB% 1.0 0.0 5.04 522 479 A 53 ILE HG1y A 50 LYS HA 1.0 0.0 5.50 523 480 A 51 SER H A 52 LEU HG 1.0 0.0 4.07 524 481 A 51 SER H A 48 THR HA 1.0 0.0 3.62 525 482 A 20 ASN HBx A 21 THR HG2% 1.0 0.0 5.50 526 483 A 25 VAL HG11 A 43 ALA H 1.0 0.0 5.17 527 484 A 18 ILE HD11 A 32 VAL H 1.0 0.0 4.46 528 485 A 32 VAL H A 31 LEU HD11 1.0 0.0 4.64 529 485 A 32 VAL H A 31 LEU HD21 1.0 0.0 4.64 530 486 A 32 VAL H A 28 ILE HG21 1.0 0.0 4.35 531 487 A 33 THR H A 34 ALA H 1.0 0.0 2.81 532 488 A 58 ALA H A 59 LYS H 1.0 0.0 2.85 533 489 A 27 THR H A 24 ALA H 1.0 0.0 4.68 534 490 A 46 VAL H A 42 THR H 1.0 0.0 4.16 535 491 A 54 LYS H A 56 TYR H 1.0 0.0 4.51 536 492 A 14 LYS H A 16 ILE H 1.0 0.0 4.43 537 493 A 64 TRP H A 63 ALA H 1.0 0.0 2.56 538 494 A 49 ALA H A 47 ALA H 1.0 0.0 4.63 539 495 A 27 THR H A 25 VAL H 1.0 0.0 5.44 540 496 A 49 ALA HA A 53 ILE H 1.0 0.0 4.52 541 497 A 64 TRP HD1 A 4 ASN HD2x 1.0 0.0 2.98 542 498 A 4 ASN H A 4 ASN HD2x 1.0 0.0 4.00 543 499 A 4 ASN H A 4 ASN HD2y 1.0 0.0 2.65 544 500 A 14 LYS H A 13 LYS H 1.0 0.0 2.61 545 501 A 51 SER H A 48 THR HG2% 1.0 0.0 4.57 546 502 A 49 ALA HA A 64 TRP HZ3 1.0 0.0 4.62 547 503 A 14 LYS H A 11 ALA HA 1.0 0.0 3.52 548 504 A 33 THR H A 29 ILE HA 1.0 0.0 4.24 549 505 A 54 LYS H A 51 SER HA 1.0 0.0 3.35 550 506 A 14 LYS HA A 17 ASP H 1.0 0.0 3.79 551 507 A 33 THR HA A 36 VAL H 1.0 0.0 3.63 552 508 A 32 VAL HA A 36 VAL H 1.0 0.0 4.55 553 509 A 52 LEU HBx A 56 TYR HE% 1.0 0.0 4.05 554 510 A 45 ILE HB A 42 THR H 1.0 0.0 2.40 555 511 A 42 THR H A 45 ILE HG1x 1.0 0.0 3.42 556 512 A 61 ALA HB% A 60 TYR HE% 1.0 0.0 4.86 557 513 A 42 THR H A 45 ILE HG1y 1.0 0.0 3.48 558 514 A 52 LEU HBy A 60 TYR HE% 1.0 0.0 4.04 559 515 A 12 ALA H A 7 ILE HD1% 1.0 0.0 4.00 560 516 A 7 ILE HD1% A 8 SER H 1.0 0.0 3.88 561 517 A 38 GLY H A 33 THR HG2% 1.0 0.0 3.53 562 518 A 15 VAL H A 18 ILE HD11 1.0 0.0 4.11 563 519 A 45 ILE H A 45 ILE HG21 1.0 0.0 3.81 564 520 A 32 VAL HG11 A 35 VAL HB 1.0 0.0 5.50 565 521 A 64 TRP HH2 A 45 ILE HG21 1.0 0.0 2.88 566 522 A 64 TRP HZ2 A 45 ILE HG21 1.0 0.0 4.77 567 523 A 56 TYR HBx A 60 TYR H 1.0 0.0 4.93 568 524 A 49 ALA H A 45 ILE HA 1.0 0.0 3.77 569 525 A 37 GLY H A 35 VAL HB 1.0 0.0 4.78 570 526 A 46 VAL H A 45 ILE HB 1.0 0.0 2.92 571 527 A 64 TRP HZ3 A 45 ILE HG21 1.0 0.0 3.38 572 528 A 29 ILE H A 28 ILE HG1x 1.0 0.0 4.55 573 528 A 29 ILE H A 28 ILE HG1y 1.0 0.0 4.55 574 529 A 10 TYR HD% A 14 LYS HDx 1.0 0.0 4.35 575 529 A 14 LYS HDy A 10 TYR HD% 1.0 0.0 4.35 576 530 A 10 TYR HD% A 35 VAL HG11 1.0 0.0 4.89 577 530 A 10 TYR HD% A 35 VAL HG21 1.0 0.0 4.89 578 531 A 53 ILE HG21 A 58 ALA H 1.0 0.0 5.24 579 532 A 58 ALA H A 53 ILE HD11 1.0 0.0 5.50 580 533 A 25 VAL H A 28 ILE HD11 1.0 0.0 4.38 581 534 A 28 ILE H A 29 ILE HB 1.0 0.0 4.98 582 535 A 22 GLY H A 28 ILE HG21 1.0 0.0 4.83 583 536 A 22 GLY H A 28 ILE HD11 1.0 0.0 5.20 584 537 A 37 GLY H A 32 VAL HG11 1.0 0.0 5.50 585 538 A 32 VAL HG11 A 36 VAL H 1.0 0.0 4.11 586 539 A 4 ASN H A 5 LEU HD11 1.0 0.0 4.57 587 539 A 4 ASN H A 5 LEU HD21 1.0 0.0 4.57 588 540 A 32 VAL HG21 A 29 ILE H 1.0 0.0 4.38 589 541 A 33 THR HG2% A 39 GLY H 1.0 0.0 4.54 590 542 A 39 GLY H A 40 LEU HBy 1.0 0.0 4.82 591 543 A 15 VAL H A 14 LYS HGx 1.0 0.0 5.35 592 544 A 17 ASP H A 16 ILE HG21 1.0 0.0 3.51 593 545 A 64 TRP H A 61 ALA HB% 1.0 0.0 4.88 594 546 A 64 TRP H A 62 ALA HB% 1.0 0.0 5.25 595 547 A 64 TRP H A 63 ALA HB% 1.0 0.0 2.95 596 548 A 31 LEU H A 32 VAL HG21 1.0 0.0 3.85 597 549 A 41 ILE H A 32 VAL HG11 1.0 0.0 4.01 598 550 A 20 ASN HD2x A 16 ILE HG21 1.0 0.0 3.16 599 551 A 20 ASN HD2x A 58 ALA HB% 1.0 0.0 3.58 600 552 A 53 ILE H A 53 ILE HG1x 1.0 0.0 3.39 601 553 A 54 LYS H A 53 ILE HG1x 1.0 0.0 2.94 602 554 A 34 ALA H A 35 VAL HG11 1.0 0.0 4.04 603 554 A 35 VAL HG21 A 34 ALA H 1.0 0.0 4.04 604 555 A 64 TRP HD1 A 52 LEU HDy% 1.0 0.0 4.42 605 556 A 64 TRP HD1 A 3 ALA HB% 1.0 0.0 4.67 606 557 A 4 ASN HBx A 64 TRP HZ2 1.0 0.0 4.80 607 558 A 4 ASN HBy A 64 TRP HZ2 1.0 0.0 4.78 608 559 A 48 THR HB A 64 TRP HZ2 1.0 0.0 4.40 609 560 A 49 ALA HB% A 64 TRP HH2 1.0 0.0 4.34 610 561 A 28 ILE HD11 A 23 SER H 1.0 0.0 3.70 611 562 A 36 VAL HG11 A 35 VAL H 1.0 0.0 4.31 612 563 A 48 THR H A 45 ILE HD11 1.0 0.0 5.08 613 564 A 64 TRP HE3 A 1 LEU HG 1.0 0.0 2.52 614 565 A 37 GLY H A 33 THR HG2% 1.0 0.0 4.26 615 566 A 33 THR HA A 35 VAL H 1.0 0.0 4.15 616 567 A 30 ALA HA A 33 THR HG2% 1.0 0.0 5.50 617 568 A 12 ALA HB% A 1 LEU HBy 1.0 0.0 5.50 618 569 A 56 TYR HBy A 52 LEU HA 1.0 0.0 5.50 619 570 A 47 ALA HA A 46 VAL HB 1.0 0.0 5.50 620 571 A 56 TYR HBy A 60 TYR HA 1.0 0.0 5.50 621 572 A 56 TYR HBx A 60 TYR HBx 1.0 0.0 5.50 622 573 A 56 TYR HBx A 60 TYR HBy 1.0 0.0 5.50 623 574 A 53 ILE HA A 58 ALA HB% 1.0 0.0 5.50 624 575 A 49 ALA H A 64 TRP HZ3 1.0 0.0 4.81 625 576 A 50 LYS H A 48 THR H 1.0 0.0 5.50 626 577 A 30 ALA H A 28 ILE H 1.0 0.0 5.48 627 578 A 33 THR H A 30 ALA H 1.0 0.0 5.50 628 579 A 63 ALA H A 61 ALA H 1.0 0.0 4.74 629 580 A 47 ALA H A 45 ILE H 1.0 0.0 4.42 630 581 A 52 LEU H A 54 LYS H 1.0 0.0 5.50 631 582 A 30 ALA H A 27 THR H 1.0 0.0 5.50 632 583 A 11 ALA H A 8 SER H 1.0 0.0 4.57 633 584 A 32 VAL HG11 A 46 VAL HA 1.0 0.0 5.50 634 585 A 28 ILE HG21 A 50 LYS HEx 1.0 0.0 5.50 635 585 A 28 ILE HG21 A 50 LYS HEy 1.0 0.0 5.50 636 586 A 27 THR HB A 25 VAL HA 1.0 0.0 5.50 637 587 A 28 ILE HA A 27 THR HA 1.0 0.0 5.50 638 588 A 45 ILE HA A 46 VAL HA 1.0 0.0 5.50 639 589 A 15 VAL HA A 32 VAL HA 1.0 0.0 5.50 640 590 A 29 ILE HA A 43 ALA HA 1.0 0.0 5.50 641 591 A 14 LYS HA A 15 VAL HA 1.0 0.0 5.50 642 592 A 28 ILE HB A 27 THR HB 1.0 0.0 5.50 643 593 A 25 VAL HG21 A 24 ALA HA 1.0 0.0 5.50 644 594 A 13 LYS HA A 15 VAL HG21 1.0 0.0 5.50 645 595 A 25 VAL HA A 28 ILE HG1x 1.0 0.0 5.50 646 595 A 28 ILE HG1y A 25 VAL HA 1.0 0.0 5.50 647 596 A 62 ALA HA A 16 ILE HG1y 1.0 0.0 5.50 648 597 A 15 VAL HG11 A 32 VAL HA 1.0 0.0 5.50 649 598 A 32 VAL HA A 28 ILE HG21 1.0 0.0 5.50 650 599 A 48 THR HB A 64 TRP HH2 1.0 0.0 3.08 651 600 A 19 ILE HA A 22 GLY H 1.0 0.0 4.55 652 601 A 19 ILE HA A 21 THR H 1.0 0.0 4.77 653 602 A 64 TRP HBx A 63 ALA H 1.0 0.0 5.26 654 603 A 53 ILE HG21 A 16 ILE HD1% 1.0 0.0 5.50 655 604 A 41 ILE H A 36 VAL HG21 1.0 0.0 3.23 656 605 A 35 VAL HB A 34 ALA H 1.0 0.0 4.78 657 606 A 5 LEU H A 6 GLY HAx 1.0 0.0 5.50 658 607 A 2 THR H A 62 ALA HA 1.0 0.0 5.50 659 608 A 64 TRP HA A 2 THR H 1.0 0.0 5.50 660 609 A 28 ILE H A 23 SER H 1.0 0.0 5.50 661 610 A 43 ALA H A 29 ILE HG21 1.0 0.0 4.28 662 611 A 46 VAL HG21 A 43 ALA H 1.0 0.0 4.84 663 612 A 12 ALA HB% A 9 SER H 1.0 0.0 4.88 664 613 A 18 ILE HG21 A 32 VAL H 1.0 0.0 3.48 665 614 A 41 ILE H A 41 ILE HB 1.0 0.0 2.77 666 615 A 41 ILE H A 40 LEU HBy 1.0 0.0 2.98 667 616 A 41 ILE H A 42 THR HG2% 1.0 0.0 5.10 668 617 A 56 TYR H A 52 LEU HBx 1.0 0.0 5.42 669 618 A 45 ILE H A 43 ALA H 1.0 0.0 5.50 670 619 A 11 ALA H A 8 SER HG 1.0 0.0 4.03 671 620 A 11 ALA HB% A 8 SER HG 1.0 0.0 4.43 672 621 A 42 THR HG1 A 44 GLY HAx 1.0 0.0 5.19 673 621 A 44 GLY HAy A 42 THR HG1 1.0 0.0 5.19 674 622 A 45 ILE HG1x A 42 THR HG1 1.0 0.0 4.38 675 623 A 45 ILE HG1y A 42 THR HG1 1.0 0.0 4.59 676 624 A 42 THR HG2% A 42 THR HG1 1.0 0.0 3.14 677 625 A 45 ILE H A 42 THR HG1 1.0 0.0 3.73 678 626 A 44 GLY H A 42 THR HG1 1.0 0.0 3.43 679 627 A 45 ILE H A 45 ILE HG1x 1.0 0.0 2.70 680 628 A 45 ILE H A 43 ALA HB% 1.0 0.0 4.68 681 629 A 45 ILE H A 41 ILE HG21 1.0 0.0 4.00 682 630 A 46 VAL H A 41 ILE HG21 1.0 0.0 3.76 683 631 A 12 ALA HB% A 11 ALA H 1.0 0.0 4.50 684 632 A 1 LEU HA A 4 ASN HD2y 1.0 0.0 4.39 685 633 A 15 VAL H A 15 VAL HG21 1.0 0.0 2.47 686 634 A 8 SER HA A 9 SER H 1.0 0.0 2.40 687 635 A 14 LYS H A 12 ALA HB% 1.0 0.0 5.33 688 636 A 14 LYS H A 13 LYS HBy 1.0 0.0 3.65 689 637 A 2 THR H A 7 ILE HD1% 1.0 0.0 4.42 690 638 A 12 ALA HB% A 2 THR H 1.0 0.0 3.20 691 639 A 5 LEU H A 6 GLY HAy 1.0 0.0 4.81 692 640 A 7 ILE HG2% A 7 ILE HD1% 1.0 0.0 5.50 693 641 A 9 SER H A 7 ILE HG1y 1.0 0.0 5.50 694 641 A 7 ILE HG1x A 9 SER H 1.0 0.0 5.50 695 642 A 11 ALA HB% A 9 SER H 1.0 0.0 5.50 696 643 A 11 ALA H A 9 SER H 1.0 0.0 4.92 697 644 A 8 SER HBy A 10 TYR H 1.0 0.0 2.88 698 645 A 11 ALA HB% A 10 TYR H 1.0 0.0 4.60 699 646 A 28 ILE H A 26 ALA H 1.0 0.0 4.38 700 647 A 41 ILE H A 42 THR H 1.0 0.0 5.03 701 648 A 64 TRP H A 60 TYR HE% 1.0 0.0 5.48 702 649 A 33 THR HA A 37 GLY H 1.0 0.0 3.48 703 650 A 30 ALA HB% A 29 ILE H 1.0 0.0 4.70 704 651 A 46 VAL H A 45 ILE HG1x 1.0 0.0 4.36 705 652 A 50 LYS H A 49 ALA HB% 1.0 0.0 2.65 706 653 A 44 GLY H A 42 THR HG2% 1.0 0.0 4.49 707 654 A 19 ILE H A 32 VAL HG11 1.0 0.0 4.77 708 655 A 19 ILE H A 16 ILE HG21 1.0 0.0 5.41 709 656 A 19 ILE H A 18 ILE HG1y 1.0 0.0 5.50 710 657 A 46 VAL HG11 A 29 ILE H 1.0 0.0 3.93 711 658 A 61 ALA HB% A 60 TYR H 1.0 0.0 4.12 712 659 A 2 THR H A 3 ALA HB% 1.0 0.0 4.34 713 660 A 16 ILE HG21 A 58 ALA H 1.0 0.0 4.96 714 661 A 40 LEU H A 36 VAL HG21 1.0 0.0 3.59 715 662 A 64 TRP HBy A 60 TYR HE% 1.0 0.0 3.40 716 663 A 61 ALA HA A 60 TYR HD% 1.0 0.0 2.84 717 664 A 55 LYS H A 54 LYS HBx 1.0 0.0 3.07 718 664 A 55 LYS H A 54 LYS HBy 1.0 0.0 3.07 719 665 A 55 LYS H A 52 LEU HA 1.0 0.0 3.73 720 666 A 13 LYS H A 10 TYR HA 1.0 0.0 3.97 721 667 A 6 GLY H A 3 ALA HA 1.0 0.0 4.23 722 668 A 47 ALA H A 43 ALA HB% 1.0 0.0 5.26 723 669 A 49 ALA HB% A 47 ALA H 1.0 0.0 5.50 724 670 A 59 LYS H A 59 LYS HBy 1.0 0.0 3.17 725 671 A 16 ILE H A 15 VAL HG21 1.0 0.0 4.42 726 672 A 64 TRP HE3 A 1 LEU HBx 1.0 0.0 4.67 727 673 A 19 ILE H A 20 ASN HBy 1.0 0.0 5.50 728 674 A 16 ILE HA A 19 ILE H 1.0 0.0 4.05 729 675 A 19 ILE H A 19 ILE HD11 1.0 0.0 4.23 730 676 A 19 ILE H A 28 ILE HG21 1.0 0.0 4.57 731 677 A 19 ILE H A 18 ILE HD11 1.0 0.0 5.50 732 678 A 49 ALA H A 46 VAL HA 1.0 0.0 4.07 733 679 A 53 ILE H A 52 LEU HD11 1.0 0.0 5.47 734 680 A 53 ILE H A 51 SER HA 1.0 0.0 5.50 735 681 A 53 ILE H A 58 ALA HA 1.0 0.0 5.50 736 682 A 53 ILE H A 53 ILE HB 1.0 0.0 3.76 737 683 A 53 ILE H A 50 LYS HA 1.0 0.0 4.12 738 684 A 56 TYR HA A 56 TYR HE% 1.0 0.0 4.79 739 685 A 15 VAL H A 12 ALA HA 1.0 0.0 4.04 740 686 A 60 TYR HE% A 60 TYR HA 1.0 0.0 4.81 741 687 A 13 LYS HBx A 10 TYR HA 1.0 0.0 4.49 742 688 A 13 LYS HBy A 10 TYR HA 1.0 0.0 4.60 743 689 A 30 ALA HA A 29 ILE HB 1.0 0.0 5.11 744 690 A 25 VAL HA A 25 VAL HG11 1.0 0.0 3.18 745 691 A 28 ILE HB A 25 VAL HA 1.0 0.0 3.55 746 692 A 40 LEU HA A 40 LEU HG 1.0 0.0 3.75 747 693 A 40 LEU HA A 40 LEU HD11 1.0 0.0 4.62 748 694 A 40 LEU HA A 40 LEU HD21 1.0 0.0 4.62 749 695 A 49 ALA H A 64 TRP HH2 1.0 0.0 5.01 750 696 A 2 THR HG2% A 2 THR HA 1.0 0.0 3.28 751 697 A 64 TRP HA A 3 ALA HB% 1.0 0.0 3.07 752 698 A 14 LYS HBy A 11 ALA HA 1.0 0.0 3.53 753 699 A 14 LYS HBx A 11 ALA HA 1.0 0.0 4.34 754 700 A 53 ILE HG1y A 53 ILE HA 1.0 0.0 4.04 755 701 A 53 ILE HA A 53 ILE HG1x 1.0 0.0 3.81 756 702 A 53 ILE HG1y A 53 ILE HG21 1.0 0.0 3.44 757 703 A 53 ILE HA A 53 ILE HG21 1.0 0.0 3.90 758 704 A 53 ILE HG1x A 53 ILE HB 1.0 0.0 2.80 759 705 A 53 ILE H A 53 ILE HD11 1.0 0.0 4.46 760 706 A 19 ILE HA A 19 ILE HG21 1.0 0.0 3.19 761 707 A 19 ILE HA A 28 ILE HG21 1.0 0.0 3.11 762 708 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 3.94 763 709 A 31 LEU HA A 31 LEU HG 1.0 0.0 3.85 764 710 A 31 LEU HA A 31 LEU HD11 1.0 0.0 2.74 765 710 A 31 LEU HA A 31 LEU HD21 1.0 0.0 2.74 766 711 A 29 ILE HA A 29 ILE HG1y 1.0 0.0 3.77 767 712 A 29 ILE HD11 A 29 ILE HG21 1.0 0.0 5.50 768 713 A 46 VAL HG21 A 29 ILE HD11 1.0 0.0 5.50 769 714 A 14 LYS HBx A 18 ILE HD11 1.0 0.0 5.50 770 715 A 29 ILE HA A 29 ILE HG21 1.0 0.0 3.38 771 716 A 46 VAL HG21 A 29 ILE HA 1.0 0.0 3.74 772 717 A 15 VAL HA A 18 ILE HD11 1.0 0.0 3.43 773 718 A 55 LYS HBy A 55 LYS HEx 1.0 0.0 4.19 774 718 A 55 LYS HEy A 55 LYS HBy 1.0 0.0 4.19 775 719 A 64 TRP HD1 A 52 LEU HD11 1.0 0.0 3.87 776 720 A 56 TYR HD% A 55 LYS HA 1.0 0.0 5.50 777 721 A 52 LEU HG A 56 TYR HE% 1.0 0.0 5.10 778 722 A 52 LEU HBy A 56 TYR HE% 1.0 0.0 5.50 779 723 A 48 THR HG2% A 52 LEU HD11 1.0 0.0 3.12 780 724 A 52 LEU HBx A 52 LEU HD11 1.0 0.0 3.15 781 725 A 52 LEU HBy A 52 LEU HD11 1.0 0.0 3.06 782 726 A 52 LEU HA A 52 LEU HD11 1.0 0.0 4.56 783 727 A 52 LEU HA A 52 LEU HDy% 1.0 0.0 2.93 784 728 A 52 LEU HBx A 52 LEU HDy% 1.0 0.0 3.32 785 729 A 52 LEU HA A 52 LEU HG 1.0 0.0 3.89 786 730 A 64 TRP HZ2 A 5 LEU HD11 1.0 0.0 5.50 787 730 A 5 LEU HD21 A 64 TRP HZ2 1.0 0.0 5.50 788 731 A 64 TRP HZ3 A 45 ILE HD11 1.0 0.0 3.62 789 732 A 64 TRP HE3 A 61 ALA HB% 1.0 0.0 4.42 790 733 A 64 TRP HE3 A 64 TRP HA 1.0 0.0 4.78 791 734 A 63 ALA HB% A 60 TYR HD% 1.0 0.0 4.74 792 735 A 64 TRP HBy A 52 LEU HD11 1.0 0.0 3.72 793 736 A 49 ALA HA A 52 LEU HD11 1.0 0.0 3.31 794 737 A 64 TRP HBx A 52 LEU HD11 1.0 0.0 3.64 795 738 A 49 ALA HA A 52 LEU HG 1.0 0.0 3.98 796 739 A 1 LEU HA A 1 LEU HG 1.0 0.0 3.85 797 740 A 1 LEU HA A 1 LEU HDx% 1.0 0.0 2.81 798 740 A 1 LEU HDy% A 1 LEU HA 1.0 0.0 2.81 799 741 A 15 VAL HB A 1 LEU HDx% 1.0 0.0 5.50 800 741 A 15 VAL HB A 1 LEU HDy% 1.0 0.0 5.50 801 742 A 5 LEU HA A 5 LEU HG 1.0 0.0 3.73 802 743 A 5 LEU HA A 5 LEU HD11 1.0 0.0 2.96 803 743 A 5 LEU HA A 5 LEU HD21 1.0 0.0 2.96 804 744 A 5 LEU HBy A 5 LEU HD11 1.0 0.0 3.16 805 744 A 5 LEU HBy A 5 LEU HD21 1.0 0.0 3.16 806 745 A 7 ILE HA A 7 ILE HG1y 1.0 0.0 4.19 807 745 A 7 ILE HG1x A 7 ILE HA 1.0 0.0 4.19 808 746 A 7 ILE HD1% A 7 ILE HA 1.0 0.0 4.30 809 747 A 11 ALA HB% A 7 ILE HD1% 1.0 0.0 5.50 810 748 A 19 ILE HG21 A 19 ILE HD11 1.0 0.0 5.50 811 749 A 19 ILE HG21 A 28 ILE HG21 1.0 0.0 5.50 812 750 A 19 ILE HD11 A 16 ILE HD1% 1.0 0.0 5.50 813 751 A 9 SER HA A 9 SER HBx 1.0 0.0 2.40 814 751 A 9 SER HA A 9 SER HBy 1.0 0.0 2.40 815 752 A 13 LYS HBx A 13 LYS HEx 1.0 0.0 4.62 816 752 A 13 LYS HBx A 13 LYS HEy 1.0 0.0 4.62 817 753 A 54 LYS HBy A 54 LYS HEx 1.0 0.0 4.84 818 753 A 54 LYS HEy A 54 LYS HBx 1.0 0.0 4.84 819 753 A 54 LYS HBy A 54 LYS HEy 1.0 0.0 4.84 820 753 A 54 LYS HBx A 54 LYS HEx 1.0 0.0 4.84 821 754 A 13 LYS HBy A 13 LYS HEx 1.0 0.0 5.50 822 754 A 13 LYS HBy A 13 LYS HEy 1.0 0.0 5.50 823 755 A 2 THR HA A 5 LEU HBy 1.0 0.0 4.31 824 756 A 14 LYS HBx A 14 LYS HEx 1.0 0.0 4.21 825 756 A 14 LYS HBx A 14 LYS HEy 1.0 0.0 4.21 826 757 A 14 LYS HBy A 14 LYS HEx 1.0 0.0 5.19 827 757 A 14 LYS HBy A 14 LYS HEy 1.0 0.0 5.19 828 758 A 2 THR HA A 7 ILE HG1y 1.0 0.0 5.38 829 758 A 2 THR HA A 7 ILE HG1x 1.0 0.0 5.38 830 759 A 5 LEU HBy A 7 ILE HG1y 1.0 0.0 5.50 831 759 A 5 LEU HBy A 7 ILE HG1x 1.0 0.0 5.50 832 760 A 15 VAL HA A 15 VAL HG11 1.0 0.0 3.26 833 761 A 15 VAL HA A 15 VAL HG21 1.0 0.0 3.35 834 762 A 16 ILE H A 16 ILE HG21 1.0 0.0 3.83 835 763 A 18 ILE HA A 18 ILE HG1x 1.0 0.0 3.36 836 764 A 18 ILE HG21 A 18 ILE HA 1.0 0.0 3.11 837 765 A 18 ILE HD11 A 18 ILE HA 1.0 0.0 4.13 838 766 A 18 ILE HG21 A 18 ILE HG1x 1.0 0.0 3.85 839 767 A 18 ILE HD11 A 35 VAL HG11 1.0 0.0 5.50 840 767 A 18 ILE HD11 A 35 VAL HG21 1.0 0.0 5.50 841 768 A 18 ILE HG21 A 18 ILE HD11 1.0 0.0 5.50 842 769 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 3.94 843 770 A 17 ASP HA A 20 ASN HBx 1.0 0.0 3.72 844 771 A 17 ASP HA A 20 ASN HBy 1.0 0.0 3.92 845 772 A 21 THR HG2% A 21 THR HA 1.0 0.0 3.22 846 773 A 27 THR HG2% A 27 THR HA 1.0 0.0 3.23 847 774 A 46 VAL HG11 A 46 VAL HA 1.0 0.0 2.77 848 775 A 46 VAL HG21 A 46 VAL HA 1.0 0.0 2.81 849 776 A 28 ILE HA A 28 ILE HG21 1.0 0.0 3.14 850 777 A 32 VAL HA A 32 VAL HG21 1.0 0.0 3.27 851 778 A 32 VAL HA A 32 VAL HG11 1.0 0.0 3.16 852 779 A 33 THR HA A 33 THR HG2% 1.0 0.0 3.40 853 780 A 35 VAL HA A 35 VAL HG11 1.0 0.0 2.87 854 780 A 35 VAL HG21 A 35 VAL HA 1.0 0.0 2.87 855 781 A 36 VAL HG11 A 36 VAL HA 1.0 0.0 3.22 856 782 A 36 VAL HG21 A 36 VAL HA 1.0 0.0 3.63 857 783 A 1 LEU HBy A 1 LEU HDx% 1.0 0.0 3.87 858 783 A 1 LEU HDy% A 1 LEU HBy 1.0 0.0 3.87 859 784 A 40 LEU HBy A 40 LEU HD11 1.0 0.0 3.68 860 785 A 40 LEU HBy A 40 LEU HD21 1.0 0.0 3.68 861 786 A 42 THR HA A 42 THR HG2% 1.0 0.0 3.09 862 787 A 48 THR HG2% A 48 THR HA 1.0 0.0 3.25 863 788 A 49 ALA H A 19 ILE HD11 1.0 0.0 5.08 864 789 A 19 ILE HG21 A 49 ALA H 1.0 0.0 5.02 865 790 A 49 ALA H A 45 ILE HD11 1.0 0.0 5.16 866 791 A 49 ALA H A 52 LEU HBy 1.0 0.0 5.50 867 792 A 50 LYS HEy A 50 LYS HBx 1.0 0.0 5.48 868 792 A 50 LYS HBx A 50 LYS HEx 1.0 0.0 5.48 869 793 A 50 LYS HEy A 50 LYS HBy 1.0 0.0 5.48 870 793 A 50 LYS HBy A 50 LYS HEx 1.0 0.0 5.48 871 794 A 50 LYS HEy A 50 LYS HGx 1.0 0.0 3.65 872 794 A 50 LYS HGx A 50 LYS HEx 1.0 0.0 3.65 873 795 A 50 LYS HEy A 50 LYS HGy 1.0 0.0 3.65 874 795 A 50 LYS HEx A 50 LYS HGy 1.0 0.0 3.65 875 796 A 51 SER HA A 51 SER HBx 1.0 0.0 2.54 876 796 A 51 SER HBy A 51 SER HA 1.0 0.0 2.54 877 797 A 54 LYS HA A 54 LYS HBx 1.0 0.0 2.93 878 797 A 54 LYS HBy A 54 LYS HA 1.0 0.0 2.93 879 798 A 54 LYS HA A 54 LYS HDx 1.0 0.0 4.50 880 798 A 54 LYS HDy A 54 LYS HA 1.0 0.0 4.50 881 799 A 14 LYS HA A 14 LYS HDx 1.0 0.0 3.96 882 799 A 14 LYS HA A 14 LYS HDy 1.0 0.0 3.96 883 800 A 64 TRP HD1 A 60 TYR HE% 1.0 0.0 4.25 884 801 A 11 ALA HA A 10 TYR HE% 1.0 0.0 5.17 885 802 A 47 ALA H A 43 ALA HA 1.0 0.0 5.50 886 803 A 63 ALA HB% A 60 TYR HE% 1.0 0.0 5.50 887 804 A 52 LEU HG A 60 TYR HE% 1.0 0.0 5.27 888 805 A 12 ALA H A 7 ILE HG2% 1.0 0.0 5.50 889 806 A 56 TYR HD% A 60 TYR HBy 1.0 0.0 5.50 890 807 A 14 LYS HA A 14 LYS HEx 1.0 0.0 3.75 891 807 A 14 LYS HA A 14 LYS HEy 1.0 0.0 3.75 892 808 A 14 LYS HA A 17 ASP HBy 1.0 0.0 4.07 893 809 A 14 LYS HA A 17 ASP HBx 1.0 0.0 4.07 894 810 A 45 ILE HG1y A 45 ILE HG21 1.0 0.0 3.81 895 811 A 45 ILE HA A 45 ILE HD11 1.0 0.0 3.42 896 812 A 45 ILE HA A 45 ILE HG21 1.0 0.0 3.37 897 813 A 45 ILE HB A 41 ILE HA 1.0 0.0 3.64 898 814 A 45 ILE HA A 45 ILE HG1x 1.0 0.0 3.47 899 815 A 41 ILE HA A 45 ILE HG1y 1.0 0.0 4.28 900 816 A 14 LYS HBy A 10 TYR HD% 1.0 0.0 5.50 901 817 A 64 TRP HH2 A 45 ILE HG1y 1.0 0.0 4.65 902 818 A 64 TRP HBy A 61 ALA HA 1.0 0.0 3.86 903 819 A 64 TRP HBx A 61 ALA HA 1.0 0.0 3.85 904 820 A 1 LEU HBy A 62 ALA HA 1.0 0.0 3.81 905 821 A 62 ALA HA A 16 ILE HG1x 1.0 0.0 3.85 906 822 A 46 VAL HB A 43 ALA HA 1.0 0.0 3.98 907 823 A 47 ALA HB% A 44 GLY HAx 1.0 0.0 3.48 908 823 A 47 ALA HB% A 44 GLY HAy 1.0 0.0 3.48 909 824 A 49 ALA HB% A 46 VAL HA 1.0 0.0 3.44 910 825 A 52 LEU H A 49 ALA HB% 1.0 0.0 5.09 911 826 A 52 LEU H A 61 ALA HB% 1.0 0.0 5.50 912 827 A 28 ILE HG21 A 28 ILE HG1x 1.0 0.0 3.13 913 827 A 28 ILE HG1y A 28 ILE HG21 1.0 0.0 3.13 914 828 A 28 ILE HA A 28 ILE HG1x 1.0 0.0 3.42 915 828 A 28 ILE HA A 28 ILE HG1y 1.0 0.0 3.42 916 829 A 14 LYS HBx A 10 TYR HD% 1.0 0.0 5.16 917 830 A 14 LYS HBx A 10 TYR HE% 1.0 0.0 5.50 918 831 A 10 TYR HE% A 35 VAL HG11 1.0 0.0 4.65 919 831 A 10 TYR HE% A 35 VAL HG21 1.0 0.0 4.65 920 832 A 49 ALA HA A 48 THR HG2% 1.0 0.0 3.84 921 833 A 18 ILE HD11 A 32 VAL HA 1.0 0.0 3.06 922 834 A 43 ALA HA A 29 ILE HD11 1.0 0.0 3.41 923 835 A 61 ALA HB% A 16 ILE HD1% 1.0 0.0 2.53 924 836 A 15 VAL H A 11 ALA HB% 1.0 0.0 4.82 925 837 A 15 VAL H A 14 LYS HGy 1.0 0.0 5.35 926 838 A 16 ILE HG21 A 16 ILE HG1y 1.0 0.0 3.68 927 839 A 16 ILE HB A 16 ILE HD1% 1.0 0.0 3.41 928 840 A 16 ILE HA A 16 ILE HG21 1.0 0.0 3.36 929 841 A 18 ILE HG1y A 18 ILE HA 1.0 0.0 3.80 930 842 A 16 ILE HA A 16 ILE HD1% 1.0 0.0 3.35 931 843 A 19 ILE H A 32 VAL HG21 1.0 0.0 5.32 932 844 A 52 LEU H A 54 LYS HBx 1.0 0.0 5.35 933 844 A 52 LEU H A 54 LYS HBy 1.0 0.0 5.35 934 845 A 2 THR HA A 1 LEU HBx 1.0 0.0 4.70 935 846 A 33 THR HG2% A 34 ALA HA 1.0 0.0 3.93 936 847 A 56 TYR HBy A 60 TYR HBy 1.0 0.0 5.20 937 848 A 56 TYR HBy A 60 TYR HBx 1.0 0.0 4.08 938 849 A 53 ILE HA A 58 ALA HA 1.0 0.0 3.63 939 850 A 53 ILE HA A 57 GLY HAx 1.0 0.0 4.05 940 851 A 19 ILE HG21 A 49 ALA HB% 1.0 0.0 5.50 941 852 A 49 ALA HB% A 19 ILE HD11 1.0 0.0 5.50 942 853 A 53 ILE H A 61 ALA HB% 1.0 0.0 3.96 943 854 A 53 ILE HA A 61 ALA HB% 1.0 0.0 3.64 944 855 A 61 ALA HB% A 53 ILE HG21 1.0 0.0 3.50 945 856 A 49 ALA HB% A 19 ILE HB 1.0 0.0 3.64 946 857 A 28 ILE HA A 27 THR HG2% 1.0 0.0 4.14 947 858 A 28 ILE HA A 32 VAL HG21 1.0 0.0 5.31 948 859 A 32 VAL HG21 A 46 VAL HA 1.0 0.0 5.50 949 860 A 28 ILE HD11 A 50 LYS HEx 1.0 0.0 3.43 950 860 A 28 ILE HD11 A 50 LYS HEy 1.0 0.0 3.43 951 861 A 46 VAL HG11 A 50 LYS HEx 1.0 0.0 4.08 952 861 A 46 VAL HG11 A 50 LYS HEy 1.0 0.0 4.08 953 862 A 32 VAL HB A 29 ILE HA 1.0 0.0 3.77 954 863 A 48 THR HA A 51 SER HBx 1.0 0.0 4.03 955 863 A 51 SER HBy A 48 THR HA 1.0 0.0 4.03 956 864 A 17 ASP HA A 16 ILE HG21 1.0 0.0 4.50 957 865 A 36 VAL HA A 35 VAL HG11 1.0 0.0 4.37 958 865 A 35 VAL HG21 A 36 VAL HA 1.0 0.0 4.37 959 866 A 16 ILE HG21 A 58 ALA HA 1.0 0.0 3.53 960 867 A 33 THR HA A 36 VAL HG21 1.0 0.0 3.34 961 868 A 54 LYS HA A 53 ILE HG1x 1.0 0.0 3.41 962 869 A 58 ALA HA A 16 ILE HD1% 1.0 0.0 3.89 963 870 A 62 ALA HA A 16 ILE HD1% 1.0 0.0 4.12 964 871 A 53 ILE HG21 A 58 ALA HA 1.0 0.0 3.90 965 872 A 32 VAL HA A 35 VAL HG11 1.0 0.0 3.48 966 872 A 32 VAL HA A 35 VAL HG21 1.0 0.0 3.48 967 873 A 25 VAL HG11 A 43 ALA HA 1.0 0.0 3.73 968 874 A 11 ALA HA A 35 VAL HG11 1.0 0.0 4.15 969 874 A 11 ALA HA A 35 VAL HG21 1.0 0.0 4.15 970 875 A 27 THR HG2% A 23 SER HBy 1.0 0.0 4.66 971 876 A 32 VAL HA A 31 LEU HBx 1.0 0.0 4.30 972 877 A 31 LEU HBy A 28 ILE HA 1.0 0.0 3.89 973 878 A 32 VAL HA A 35 VAL HB 1.0 0.0 3.73 974 879 A 21 THR HG2% A 18 ILE HA 1.0 0.0 3.46 975 880 A 2 THR HG2% A 6 GLY HAy 1.0 0.0 4.76 976 881 A 29 ILE HA A 29 ILE HG1x 1.0 0.0 3.77 977 882 A 50 LYS HA A 19 ILE HD11 1.0 0.0 4.00 978 883 A 16 ILE HA A 19 ILE HD11 1.0 0.0 3.38 979 884 A 23 SER HBy A 28 ILE HD11 1.0 0.0 5.24 980 885 A 10 TYR HD% A 14 LYS HEx 1.0 0.0 5.50 981 885 A 10 TYR HD% A 14 LYS HEy 1.0 0.0 5.50 982 886 A 16 ILE HG21 A 58 ALA HB% 1.0 0.0 2.89 983 887 A 16 ILE HG21 A 53 ILE HG21 1.0 0.0 5.21 984 888 A 16 ILE HG21 A 53 ILE HD11 1.0 0.0 5.50 985 889 A 16 ILE HG21 A 16 ILE HG1x 1.0 0.0 3.30 986 890 A 16 ILE HG21 A 16 ILE HD1% 1.0 0.0 5.50 987 891 A 16 ILE H A 62 ALA HA 1.0 0.0 5.50 988 892 A 49 ALA HB% A 52 LEU HD11 1.0 0.0 3.84 989 893 A 61 ALA HB% A 52 LEU HD11 1.0 0.0 4.10 990 894 A 15 VAL HB A 12 ALA HA 1.0 0.0 3.64 991 895 A 59 LYS HEy A 59 LYS HBy 1.0 0.0 5.50 992 895 A 59 LYS HBy A 59 LYS HEx 1.0 0.0 5.50 993 896 A 59 LYS HEy A 59 LYS HBx 1.0 0.0 5.50 994 896 A 59 LYS HBx A 59 LYS HEx 1.0 0.0 5.50 995 897 A 59 LYS HA A 59 LYS HDx 1.0 0.0 5.50 996 897 A 59 LYS HDy A 59 LYS HA 1.0 0.0 5.50 997 898 A 41 ILE HA A 41 ILE HG21 1.0 0.0 3.76 998 899 A 41 ILE HA A 41 ILE HD11 1.0 0.0 4.13 999 900 A 48 THR HG2% A 52 LEU HG 1.0 0.0 3.62 1000 901 A 48 THR HG2% A 45 ILE HD11 1.0 0.0 4.71 1001 902 A 49 ALA HB% A 48 THR HG2% 1.0 0.0 4.43 1002 903 A 12 ALA HB% A 2 THR HG2% 1.0 0.0 5.50 1003 904 A 25 VAL HA A 28 ILE HD11 1.0 0.0 3.17 1004 905 A 27 THR HB A 23 SER HBy 1.0 0.0 4.80 1005 906 A 8 SER HBy A 9 SER HBx 1.0 0.0 4.46 1006 906 A 8 SER HBy A 9 SER HBy 1.0 0.0 4.46 1007 907 A 15 VAL HA A 18 ILE HB 1.0 0.0 3.59 1008 908 A 18 ILE HG21 A 32 VAL HA 1.0 0.0 3.98 1009 909 A 18 ILE HG21 A 19 ILE HA 1.0 0.0 3.56 1010 910 A 2 THR HA A 5 LEU HD11 1.0 0.0 3.87 1011 910 A 2 THR HA A 5 LEU HD21 1.0 0.0 3.87 1012 911 A 42 THR HA A 29 ILE HD11 1.0 0.0 4.61 1013 912 A 2 THR HA A 7 ILE HD1% 1.0 0.0 3.62 1014 913 A 25 VAL HA A 25 VAL HG21 1.0 0.0 3.17 1015 914 A 15 VAL HA A 32 VAL HG11 1.0 0.0 3.37 1016 915 A 32 VAL HG21 A 29 ILE HA 1.0 0.0 3.12 1017 916 A 14 LYS HA A 16 ILE H 1.0 0.0 5.24 1018 917 A 53 ILE H A 52 LEU HDy% 1.0 0.0 5.50 1019 918 A 19 ILE H A 21 THR HG2% 1.0 0.0 5.50 1020 919 A 14 LYS HBx A 16 ILE H 1.0 0.0 5.50 1021 920 A 2 THR H A 5 LEU HD11 1.0 0.0 5.26 1022 920 A 2 THR H A 5 LEU HD21 1.0 0.0 5.26 1023 921 A 15 VAL H A 16 ILE HB 1.0 0.0 5.24 1024 922 A 15 VAL H A 16 ILE HG1y 1.0 0.0 5.50 1025 923 A 53 ILE H A 16 ILE HD1% 1.0 0.0 5.50 1026 924 A 45 ILE HA A 64 TRP HZ2 1.0 0.0 5.50 1027 925 A 19 ILE H A 16 ILE HD1% 1.0 0.0 5.50 1028 926 A 15 VAL H A 7 ILE HD1% 1.0 0.0 5.50 1029 927 A 15 VAL H A 16 ILE HD1% 1.0 0.0 5.50 1030 928 A 15 VAL H A 12 ALA HB% 1.0 0.0 4.99 1031 929 A 64 TRP HE3 A 45 ILE HD11 1.0 0.0 5.43 1032 930 A 64 TRP HE3 A 16 ILE HD1% 1.0 0.0 5.14 1033 931 A 64 TRP HD1 A 48 THR HG2% 1.0 0.0 5.50 1034 932 A 52 LEU HG A 60 TYR HD% 1.0 0.0 5.50 1035 933 A 48 THR HB A 64 TRP HZ3 1.0 0.0 5.25 1036 934 A 49 ALA HA A 64 TRP HE3 1.0 0.0 5.50 1037 935 A 62 ALA HA A 1 LEU HG 1.0 0.0 5.07 1038 936 A 46 VAL HG21 A 43 ALA HA 1.0 0.0 3.25 1039 937 A 50 LYS HA A 53 ILE HG1x 1.0 0.0 3.64 1040 938 A 16 ILE HA A 19 ILE HG21 1.0 0.0 3.86 1041 939 A 15 VAL HG11 A 16 ILE HA 1.0 0.0 3.87 1042 940 A 1 LEU HA A 5 LEU HD11 1.0 0.0 3.79 1043 940 A 1 LEU HA A 5 LEU HD21 1.0 0.0 3.79 1044 941 A 7 ILE HD1% A 12 ALA HA 1.0 0.0 3.07 1045 942 A 32 VAL HG21 A 41 ILE HB 1.0 0.0 3.58 1046 943 A 32 VAL HG11 A 41 ILE HB 1.0 0.0 3.42 1047 944 A 46 VAL HG21 A 28 ILE HB 1.0 0.0 3.71 1048 945 A 36 VAL HG11 A 35 VAL HB 1.0 0.0 3.74 1049 946 A 1 LEU HBx A 5 LEU HD11 1.0 0.0 3.02 1050 946 A 5 LEU HD21 A 1 LEU HBx 1.0 0.0 3.02 1051 947 A 32 VAL HG11 A 41 ILE HG21 1.0 0.0 3.41 1052 948 A 32 VAL HG11 A 41 ILE HD11 1.0 0.0 3.62 1053 949 A 32 VAL HG21 A 28 ILE HG21 1.0 0.0 3.29 1054 950 A 32 VAL HG21 A 41 ILE HG21 1.0 0.0 3.75 1055 951 A 15 VAL HG11 A 32 VAL HG11 1.0 0.0 3.17 1056 952 A 1 LEU HBx A 1 LEU HDx% 1.0 0.0 3.35 1057 952 A 1 LEU HDy% A 1 LEU HBx 1.0 0.0 3.35 1058 953 A 49 ALA HB% A 1 LEU HDx% 1.0 0.0 3.78 1059 953 A 1 LEU HDy% A 49 ALA HB% 1.0 0.0 3.78 1060 954 A 13 LYS HA A 16 ILE HB 1.0 0.0 3.50 1061 955 A 51 SER HA A 54 LYS HBx 1.0 0.0 3.85 1062 955 A 54 LYS HBy A 51 SER HA 1.0 0.0 3.85 1063 956 A 28 ILE HA A 31 LEU HD11 1.0 0.0 3.55 1064 956 A 31 LEU HD21 A 28 ILE HA 1.0 0.0 3.55 1065 957 A 29 ILE HA A 28 ILE HG21 1.0 0.0 4.24 1066 958 A 29 ILE HA A 41 ILE HG21 1.0 0.0 4.71 1067 959 A 1 LEU HG A 16 ILE HD1% 1.0 0.0 3.68 1068 960 A 14 LYS HBy A 15 VAL HG21 1.0 0.0 3.82 1069 961 A 14 LYS HBy A 35 VAL HG11 1.0 0.0 3.96 1070 961 A 14 LYS HBy A 35 VAL HG21 1.0 0.0 3.96 1071 962 A 14 LYS HDy A 35 VAL HG11 1.0 0.0 3.77 1072 962 A 14 LYS HDx A 35 VAL HG11 1.0 0.0 3.77 1073 962 A 35 VAL HG21 A 14 LYS HDx 1.0 0.0 3.77 1074 962 A 14 LYS HDy A 35 VAL HG21 1.0 0.0 3.77 1075 963 A 46 VAL HG21 A 32 VAL HG21 1.0 0.0 3.72 1076 964 A 18 ILE HD11 A 32 VAL HG21 1.0 0.0 3.52 1077 965 A 32 VAL HG11 A 36 VAL HG21 1.0 0.0 5.50 1078 966 A 32 VAL HG11 A 41 ILE HG1x 1.0 0.0 5.50 1079 966 A 32 VAL HG11 A 41 ILE HG1y 1.0 0.0 5.50 1080 967 A 48 THR HB A 52 LEU HD11 1.0 0.0 4.01 1081 968 A 61 ALA HA A 52 LEU HD11 1.0 0.0 4.25 1082 969 A 52 LEU HD11 A 51 SER HBx 1.0 0.0 4.78 1083 969 A 51 SER HBy A 52 LEU HD11 1.0 0.0 4.78 1084 970 A 15 VAL HA A 1 LEU HDx% 1.0 0.0 5.06 1085 970 A 15 VAL HA A 1 LEU HDy% 1.0 0.0 5.06 1086 971 A 15 VAL HA A 18 ILE HG21 1.0 0.0 5.50 1087 972 A 46 VAL HG11 A 29 ILE HA 1.0 0.0 5.50 1088 973 A 16 ILE HG1y A 1 LEU HDx% 1.0 0.0 2.74 1089 973 A 1 LEU HDy% A 16 ILE HG1y 1.0 0.0 2.74 1090 974 A 48 THR HG2% A 51 SER HBx 1.0 0.0 4.33 1091 974 A 51 SER HBy A 48 THR HG2% 1.0 0.0 4.33 1092 975 A 7 ILE HG2% A 7 ILE HA 1.0 0.0 3.18 1093 976 A 45 ILE HB A 41 ILE HG21 1.0 0.0 3.68 1094 977 A 5 LEU HBy A 7 ILE HD1% 1.0 0.0 3.59 1095 978 A 15 VAL HG11 A 32 VAL HG21 1.0 0.0 3.37 1096 979 A 7 ILE HD1% A 1 LEU HBx 1.0 0.0 3.29 1097 980 A 10 TYR HD% A 14 LYS HGx 1.0 0.0 3.08 1098 980 A 10 TYR HD% A 14 LYS HGy 1.0 0.0 3.08 1099 981 A 10 TYR HE% A 14 LYS HGx 1.0 0.0 3.77 1100 981 A 10 TYR HE% A 14 LYS HGy 1.0 0.0 3.77 1101 982 A 13 LYS HA A 13 LYS HGy 1.0 0.0 3.49 1102 982 A 13 LYS HA A 13 LYS HGx 1.0 0.0 3.49 1103 983 A 14 LYS H A 13 LYS HGy 1.0 0.0 5.34 1104 983 A 14 LYS H A 13 LYS HGx 1.0 0.0 5.34 1105 984 A 14 LYS H A 14 LYS HGx 1.0 0.0 2.78 1106 984 A 14 LYS H A 14 LYS HGy 1.0 0.0 2.78 1107 985 A 15 VAL H A 14 LYS HGx 1.0 0.0 4.57 1108 985 A 15 VAL H A 14 LYS HGy 1.0 0.0 4.57 1109 986 A 16 ILE H A 19 ILE HG1y 1.0 0.0 5.34 1110 986 A 16 ILE H A 19 ILE HG1x 1.0 0.0 5.34 1111 987 A 16 ILE HA A 19 ILE HG1y 1.0 0.0 3.47 1112 987 A 16 ILE HA A 19 ILE HG1x 1.0 0.0 3.47 1113 988 A 16 ILE HG21 A 19 ILE HG1y 1.0 0.0 4.06 1114 988 A 16 ILE HG21 A 19 ILE HG1x 1.0 0.0 4.06 1115 989 A 17 ASP H A 17 ASP HBx 1.0 0.0 2.31 1116 989 A 17 ASP H A 17 ASP HBy 1.0 0.0 2.31 1117 990 A 18 ILE H A 17 ASP HBx 1.0 0.0 3.75 1118 990 A 18 ILE H A 17 ASP HBy 1.0 0.0 3.75 1119 991 A 19 ILE H A 19 ILE HG1y 1.0 0.0 2.37 1120 991 A 19 ILE H A 19 ILE HG1x 1.0 0.0 2.37 1121 992 A 19 ILE HA A 19 ILE HG1y 1.0 0.0 3.42 1122 992 A 19 ILE HA A 19 ILE HG1x 1.0 0.0 3.42 1123 993 A 19 ILE HB A 50 LYS HGy 1.0 0.0 5.34 1124 993 A 19 ILE HB A 50 LYS HGx 1.0 0.0 5.34 1125 994 A 20 ASN H A 19 ILE HG1y 1.0 0.0 3.23 1126 994 A 20 ASN H A 19 ILE HG1x 1.0 0.0 3.23 1127 995 A 22 GLY H A 22 GLY HAx 1.0 0.0 2.34 1128 995 A 22 GLY H A 22 GLY HAy 1.0 0.0 2.34 1129 996 A 23 SER H A 22 GLY HAx 1.0 0.0 2.89 1130 996 A 23 SER H A 22 GLY HAy 1.0 0.0 2.89 1131 997 A 22 GLY HAx A 28 ILE HG1x 1.0 0.0 5.34 1132 997 A 28 ILE HG1y A 22 GLY HAx 1.0 0.0 5.34 1133 997 A 28 ILE HG1y A 22 GLY HAy 1.0 0.0 5.34 1134 997 A 22 GLY HAy A 28 ILE HG1x 1.0 0.0 5.34 1135 998 A 28 ILE H A 29 ILE HG1x 1.0 0.0 4.22 1136 998 A 28 ILE H A 29 ILE HG1y 1.0 0.0 4.22 1137 999 A 29 ILE H A 29 ILE HG1x 1.0 0.0 2.39 1138 999 A 29 ILE H A 29 ILE HG1y 1.0 0.0 2.39 1139 1000 A 29 ILE HA A 29 ILE HG1x 1.0 0.0 3.28 1140 1000 A 29 ILE HA A 29 ILE HG1y 1.0 0.0 3.28 1141 1001 A 43 ALA HA A 29 ILE HG1x 1.0 0.0 4.56 1142 1001 A 43 ALA HA A 29 ILE HG1y 1.0 0.0 4.56 1143 1002 A 46 VAL HG21 A 29 ILE HG1x 1.0 0.0 4.22 1144 1002 A 46 VAL HG21 A 29 ILE HG1y 1.0 0.0 4.22 1145 1003 A 33 THR HG2% A 38 GLY HAy 1.0 0.0 4.85 1146 1003 A 33 THR HG2% A 38 GLY HAx 1.0 0.0 4.85 1147 1004 A 36 VAL HG21 A 39 GLY HAy 1.0 0.0 5.34 1148 1004 A 36 VAL HG21 A 39 GLY HAx 1.0 0.0 5.34 1149 1005 A 38 GLY H A 37 GLY HAx 1.0 0.0 2.56 1150 1005 A 38 GLY H A 37 GLY HAy 1.0 0.0 2.56 1151 1006 A 39 GLY H A 38 GLY HAy 1.0 0.0 2.74 1152 1006 A 39 GLY H A 38 GLY HAx 1.0 0.0 2.74 1153 1007 A 40 LEU H A 38 GLY HAy 1.0 0.0 4.40 1154 1007 A 40 LEU H A 38 GLY HAx 1.0 0.0 4.40 1155 1008 A 39 GLY H A 39 GLY HAy 1.0 0.0 2.58 1156 1008 A 39 GLY H A 39 GLY HAx 1.0 0.0 2.58 1157 1009 A 39 GLY H A 40 LEU HD21 1.0 0.0 5.08 1158 1009 A 39 GLY H A 40 LEU HD11 1.0 0.0 5.08 1159 1010 A 40 LEU H A 40 LEU HD21 1.0 0.0 3.33 1160 1010 A 40 LEU H A 40 LEU HD11 1.0 0.0 3.33 1161 1011 A 40 LEU HA A 40 LEU HD21 1.0 0.0 3.85 1162 1011 A 40 LEU HA A 40 LEU HD11 1.0 0.0 3.85 1163 1012 A 49 ALA H A 50 LYS HBx 1.0 0.0 5.34 1164 1012 A 49 ALA H A 50 LYS HBy 1.0 0.0 5.34 1165 1013 A 50 LYS H A 50 LYS HBx 1.0 0.0 2.53 1166 1013 A 50 LYS H A 50 LYS HBy 1.0 0.0 2.53 1167 1014 A 50 LYS H A 50 LYS HGy 1.0 0.0 3.02 1168 1014 A 50 LYS H A 50 LYS HGx 1.0 0.0 3.02 1169 1015 A 50 LYS HA A 50 LYS HGy 1.0 0.0 3.53 1170 1015 A 50 LYS HA A 50 LYS HGx 1.0 0.0 3.53 1171 1016 A 51 SER H A 50 LYS HBx 1.0 0.0 3.79 1172 1016 A 51 SER H A 50 LYS HBy 1.0 0.0 3.79 1173 1017 A 51 SER HA A 50 LYS HBx 1.0 0.0 5.34 1174 1017 A 51 SER HA A 50 LYS HBy 1.0 0.0 5.34 1175 1018 A 50 LYS HEy A 50 LYS HGy 1.0 0.0 3.14 1176 1018 A 50 LYS HEx A 50 LYS HGy 1.0 0.0 3.14 1177 1018 A 50 LYS HGx A 50 LYS HEx 1.0 0.0 3.14 1178 1018 A 50 LYS HEy A 50 LYS HGx 1.0 0.0 3.14 1179 1019 A 51 SER H A 50 LYS HGy 1.0 0.0 5.34 1180 1019 A 51 SER H A 50 LYS HGx 1.0 0.0 5.34 1181 1020 A 52 LEU HA A 55 LYS HDx 1.0 0.0 5.34 1182 1020 A 52 LEU HA A 55 LYS HDy 1.0 0.0 5.34 1183 1021 A 54 LYS H A 54 LYS HGx 1.0 0.0 4.31 1184 1021 A 54 LYS H A 54 LYS HGy 1.0 0.0 4.31 1185 1022 A 55 LYS HA A 55 LYS HDx 1.0 0.0 5.34 1186 1022 A 55 LYS HA A 55 LYS HDy 1.0 0.0 5.34 1187 1023 A 56 TYR H A 55 LYS HDx 1.0 0.0 4.59 1188 1023 A 56 TYR H A 55 LYS HDy 1.0 0.0 4.59 1189 1024 A 56 TYR HD% A 55 LYS HDx 1.0 0.0 3.54 1190 1024 A 56 TYR HD% A 55 LYS HDy 1.0 0.0 3.54 1191 1025 A 59 LYS H A 59 LYS HBy 1.0 0.0 2.42 1192 1025 A 59 LYS H A 59 LYS HBx 1.0 0.0 2.42 1193 1026 A 59 LYS H A 59 LYS HGy 1.0 0.0 4.39 1194 1026 A 59 LYS H A 59 LYS HGx 1.0 0.0 4.39 1195 1027 A 59 LYS HBy A 59 LYS HEx 1.0 0.0 4.66 1196 1027 A 59 LYS HBx A 59 LYS HEx 1.0 0.0 4.66 1197 1027 A 59 LYS HEy A 59 LYS HBy 1.0 0.0 4.66 1198 1027 A 59 LYS HEy A 59 LYS HBx 1.0 0.0 4.66 1199 1028 A 60 TYR H A 59 LYS HBy 1.0 0.0 3.20 1200 1028 A 60 TYR H A 59 LYS HBx 1.0 0.0 3.20 1201 1029 A 60 TYR HBy A 59 LYS HBy 1.0 0.0 5.34 1202 1029 A 60 TYR HBy A 59 LYS HBx 1.0 0.0 5.34 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 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 61 ALA H A 57 GLY O 1.0 0.0 2.3 2 2 A 57 GLY O A 61 ALA N 1.0 0.0 3.3 3 3 A 62 ALA H A 58 ALA O 1.0 0.0 2.3 4 4 A 58 ALA O A 62 ALA N 1.0 0.0 3.3 5 5 A 63 ALA H A 59 LYS O 1.0 0.0 2.3 6 6 A 59 LYS O A 63 ALA N 1.0 0.0 3.3 7 7 A 64 TRP H A 60 TYR O 1.0 0.0 2.3 8 8 A 60 TYR O A 64 TRP N 1.0 0.0 3.3 9 9 A 61 ALA O A 1 LEU N 1.0 0.0 3.3 10 10 A 2 THR H A 62 ALA O 1.0 0.0 2.3 11 11 A 62 ALA O A 2 THR N 1.0 0.0 3.3 12 12 A 3 ALA H A 63 ALA O 1.0 0.0 2.3 13 13 A 63 ALA O A 3 ALA N 1.0 0.0 3.3 14 14 A 5 LEU H A 1 LEU O 1.0 0.0 2.3 15 15 A 1 LEU O A 5 LEU N 1.0 0.0 3.3 16 16 A 6 GLY H A 2 THR O 1.0 0.0 2.3 17 17 A 2 THR O A 6 GLY N 1.0 0.0 3.3 18 18 A 7 ILE H A 2 THR O 1.0 0.0 2.3 19 19 A 2 THR O A 7 ILE N 1.0 0.0 3.3 20 20 A 11 ALA H A 8 SER OG 1.0 0.0 2.3 21 21 A 8 SER OG A 11 ALA N 1.0 0.0 3.3 22 22 A 12 ALA H A 8 SER O 1.0 0.0 2.3 23 23 A 8 SER O A 12 ALA N 1.0 0.0 3.3 24 24 A 13 LYS H A 9 SER O 1.0 0.0 2.3 25 25 A 9 SER O A 13 LYS N 1.0 0.0 3.3 26 26 A 14 LYS H A 10 TYR O 1.0 0.0 2.3 27 27 A 10 TYR O A 14 LYS N 1.0 0.0 3.3 28 28 A 15 VAL H A 11 ALA O 1.0 0.0 2.3 29 29 A 11 ALA O A 15 VAL N 1.0 0.0 3.3 30 30 A 16 ILE H A 12 ALA O 1.0 0.0 2.3 31 31 A 12 ALA O A 16 ILE N 1.0 0.0 3.3 32 32 A 17 ASP H A 13 LYS O 1.0 0.0 2.3 33 33 A 13 LYS O A 17 ASP N 1.0 0.0 3.3 34 34 A 18 ILE H A 14 LYS O 1.0 0.0 2.3 35 35 A 14 LYS O A 18 ILE N 1.0 0.0 3.3 36 36 A 19 ILE H A 15 VAL O 1.0 0.0 2.3 37 37 A 15 VAL O A 19 ILE N 1.0 0.0 3.3 38 38 A 20 ASN H A 16 ILE O 1.0 0.0 2.3 39 39 A 16 ILE O A 20 ASN N 1.0 0.0 3.3 40 40 A 21 THR H A 17 ASP O 1.0 0.0 2.3 41 41 A 17 ASP O A 21 THR N 1.0 0.0 3.3 42 42 A 27 THR H A 24 ALA O 1.0 0.0 2.3 43 43 A 24 ALA O A 27 THR N 1.0 0.0 3.3 44 44 A 28 ILE H A 24 ALA O 1.0 0.0 2.3 45 45 A 24 ALA O A 28 ILE N 1.0 0.0 3.3 46 46 A 29 ILE H A 25 VAL O 1.0 0.0 2.3 47 47 A 25 VAL O A 29 ILE N 1.0 0.0 3.3 48 48 A 30 ALA H A 26 ALA O 1.0 0.0 2.3 49 49 A 26 ALA O A 30 ALA N 1.0 0.0 3.3 50 50 A 31 LEU H A 27 THR O 1.0 0.0 2.3 51 51 A 27 THR O A 31 LEU N 1.0 0.0 3.3 52 52 A 32 VAL H A 28 ILE O 1.0 0.0 2.3 53 53 A 28 ILE O A 32 VAL N 1.0 0.0 3.3 54 54 A 33 THR H A 29 ILE O 1.0 0.0 2.3 55 55 A 29 ILE O A 33 THR N 1.0 0.0 3.3 56 56 A 34 ALA H A 30 ALA O 1.0 0.0 2.3 57 57 A 30 ALA O A 34 ALA N 1.0 0.0 3.3 58 58 A 35 VAL H A 31 LEU O 1.0 0.0 2.3 59 59 A 31 LEU O A 35 VAL N 1.0 0.0 3.3 60 60 A 36 VAL H A 32 VAL O 1.0 0.0 2.3 61 61 A 32 VAL O A 36 VAL N 1.0 0.0 3.3 62 62 A 37 GLY H A 33 THR O 1.0 0.0 2.3 63 63 A 33 THR O A 37 GLY N 1.0 0.0 3.3 64 64 A 40 LEU H A 38 GLY O 1.0 0.0 2.3 65 65 A 38 GLY O A 40 LEU N 1.0 0.0 3.3 66 66 A 42 THR H A 40 LEU O 1.0 0.0 2.3 67 67 A 40 LEU O A 42 THR N 1.0 0.0 3.3 68 68 A 45 ILE H A 42 THR O 1.0 0.0 2.3 69 69 A 42 THR O A 45 ILE N 1.0 0.0 3.3 70 70 A 46 VAL H A 42 THR O 1.0 0.0 2.3 71 71 A 42 THR O A 46 VAL N 1.0 0.0 3.3 72 72 A 47 ALA H A 43 ALA O 1.0 0.0 2.3 73 73 A 43 ALA O A 47 ALA N 1.0 0.0 3.3 74 74 A 48 THR H A 44 GLY O 1.0 0.0 2.3 75 75 A 44 GLY O A 48 THR N 1.0 0.0 3.3 76 76 A 49 ALA H A 45 ILE O 1.0 0.0 2.3 77 77 A 45 ILE O A 49 ALA N 1.0 0.0 3.3 78 78 A 50 LYS H A 46 VAL O 1.0 0.0 2.3 79 79 A 46 VAL O A 50 LYS N 1.0 0.0 3.3 80 80 A 51 SER H A 47 ALA O 1.0 0.0 2.3 81 81 A 47 ALA O A 51 SER N 1.0 0.0 3.3 82 82 A 52 LEU H A 48 THR O 1.0 0.0 2.3 83 83 A 48 THR O A 52 LEU N 1.0 0.0 3.3 84 84 A 53 ILE H A 49 ALA O 1.0 0.0 2.3 85 85 A 49 ALA O A 53 ILE N 1.0 0.0 3.3 86 86 A 54 LYS H A 50 LYS O 1.0 0.0 2.3 87 87 A 50 LYS O A 54 LYS N 1.0 0.0 3.3 88 88 A 55 LYS H A 51 SER O 1.0 0.0 2.3 89 89 A 51 SER O A 55 LYS N 1.0 0.0 3.3 90 90 A 56 TYR H A 52 LEU O 1.0 0.0 2.3 91 91 A 52 LEU O A 56 TYR N 1.0 0.0 3.3 92 92 A 57 GLY H A 52 LEU O 1.0 0.0 2.3 93 93 A 52 LEU O A 57 GLY N 1.0 0.0 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 LEU C A 2 THR N A 2 THR CA A 2 THR C 1.0 -82.2 -42.2 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 ALA N 1.0 -58.3 -18.3 PSI 3 3 A 2 THR C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -86.5 -46.5 PHI 4 4 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 ASN N 1.0 -57.3 -17.3 PSI 5 5 A 3 ALA C A 4 ASN N A 4 ASN CA A 4 ASN C 1.0 -92.5 -52.5 PHI 6 6 A 4 ASN N A 4 ASN CA A 4 ASN C A 5 LEU N 1.0 -51.7 -11.7 PSI 7 7 A 4 ASN C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -116.8 -76.8 PHI 8 8 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 GLY N 1.0 -26.4 13.6 PSI 9 9 A 5 LEU C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 47.7 87.7 PHI 10 10 A 6 GLY N A 6 GLY CA A 6 GLY C A 7 ILE N 1.0 11.8 51.8 PSI 11 11 A 6 GLY C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -139.5 -80.7 PHI 12 12 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 SER N 1.0 132.1 177.5 PSI 13 13 A 7 ILE C A 8 SER N A 8 SER CA A 8 SER C 1.0 -89.5 -49.5 PHI 14 14 A 8 SER N A 8 SER CA A 8 SER C A 9 SER N 1.0 134.4 174.4 PSI 15 15 A 8 SER C A 9 SER N A 9 SER CA A 9 SER C 1.0 -79.9 -39.9 PHI 16 16 A 9 SER N A 9 SER CA A 9 SER C A 10 TYR N 1.0 -55.5 -15.5 PSI 17 17 A 9 SER C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -83.0 -43.0 PHI 18 18 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 ALA N 1.0 -64.6 -24.6 PSI 19 19 A 10 TYR C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -87.5 -47.5 PHI 20 20 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 ALA N 1.0 -59.8 -19.8 PSI 21 21 A 11 ALA C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -82.7 -42.7 PHI 22 22 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 LYS N 1.0 -60.5 -20.5 PSI 23 23 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -84.5 -44.5 PHI 24 24 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 LYS N 1.0 -61.6 -21.6 PSI 25 25 A 13 LYS C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -85.0 -45.0 PHI 26 26 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 VAL N 1.0 -61.2 -21.2 PSI 27 27 A 14 LYS C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -83.1 -43.1 PHI 28 28 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 ILE N 1.0 -63.8 -23.8 PSI 29 29 A 15 VAL C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -86.7 -46.7 PHI 30 30 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 ASP N 1.0 -54.9 -14.9 PSI 31 31 A 16 ILE C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -87.2 -47.2 PHI 32 32 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ILE N 1.0 -59.0 -19.0 PSI 33 33 A 17 ASP C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -85.4 -45.4 PHI 34 34 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 ILE N 1.0 -64.9 -24.9 PSI 35 35 A 18 ILE C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -84.2 -44.2 PHI 36 36 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 ASN N 1.0 -61.6 -21.6 PSI 37 37 A 19 ILE C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -92.3 -52.3 PHI 38 38 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 THR N 1.0 -37.6 2.4 PSI 39 39 A 23 SER C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -92.2 -52.2 PHI 40 40 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 VAL N 1.0 115.4 158.8 PSI 41 41 A 24 ALA C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -78.5 -38.5 PHI 42 42 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ALA N 1.0 -62.2 -22.2 PSI 43 43 A 25 VAL C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -83.1 -43.1 PHI 44 44 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 THR N 1.0 -57.1 -17.1 PSI 45 45 A 26 ALA C A 27 THR N A 27 THR CA A 27 THR C 1.0 -88.7 -48.7 PHI 46 46 A 27 THR N A 27 THR CA A 27 THR C A 28 ILE N 1.0 -61.5 -21.5 PSI 47 47 A 27 THR C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -83.2 -43.2 PHI 48 48 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 ILE N 1.0 -64.3 -24.3 PSI 49 49 A 28 ILE C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -84.0 -44.0 PHI 50 50 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 ALA N 1.0 -61.0 -21.0 PSI 51 51 A 29 ILE C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -84.2 -44.2 PHI 52 52 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LEU N 1.0 -61.7 -21.7 PSI 53 53 A 30 ALA C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -85.5 -45.5 PHI 54 54 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 VAL N 1.0 -63.9 -23.9 PSI 55 55 A 31 LEU C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -84.3 -44.3 PHI 56 56 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 THR N 1.0 -58.0 -18.0 PSI 57 57 A 32 VAL C A 33 THR N A 33 THR CA A 33 THR C 1.0 -86.3 -46.3 PHI 58 58 A 33 THR N A 33 THR CA A 33 THR C A 34 ALA N 1.0 -59.0 -19.0 PSI 59 59 A 33 THR C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -88.9 -48.9 PHI 60 60 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 VAL N 1.0 -51.6 -11.6 PSI 61 61 A 34 ALA C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -95.4 -55.4 PHI 62 62 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 VAL N 1.0 -56.0 -9.6 PSI 63 63 A 35 VAL C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -126.9 -86.9 PHI 64 64 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 GLY N 1.0 -27.4 13.4 PSI 65 65 A 41 ILE C A 42 THR N A 42 THR CA A 42 THR C 1.0 -152.4 -97.8 PHI 66 66 A 42 THR N A 42 THR CA A 42 THR C A 43 ALA N 1.0 145.3 185.3 PSI 67 67 A 42 THR C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -80.6 -40.6 PHI 68 68 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 GLY N 1.0 -55.0 -15.0 PSI 69 69 A 43 ALA C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 -83.3 -43.3 PHI 70 70 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 ILE N 1.0 -61.7 -21.7 PSI 71 71 A 44 GLY C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -87.0 -47.0 PHI 72 72 A 45 ILE N A 45 ILE CA A 45 ILE C A 46 VAL N 1.0 -62.1 -22.1 PSI 73 73 A 45 ILE C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -82.8 -42.8 PHI 74 74 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ALA N 1.0 -62.5 -22.5 PSI 75 75 A 46 VAL C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -83.5 -43.5 PHI 76 76 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 THR N 1.0 -59.9 -19.9 PSI 77 77 A 47 ALA C A 48 THR N A 48 THR CA A 48 THR C 1.0 -86.1 -46.1 PHI 78 78 A 48 THR N A 48 THR CA A 48 THR C A 49 ALA N 1.0 -63.3 -23.3 PSI 79 79 A 48 THR C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -83.8 -43.8 PHI 80 80 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LYS N 1.0 -60.5 -20.5 PSI 81 81 A 49 ALA C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -83.5 -43.5 PHI 82 82 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 SER N 1.0 -60.2 -20.2 PSI 83 83 A 50 LYS C A 51 SER N A 51 SER CA A 51 SER C 1.0 -86.8 -46.8 PHI 84 84 A 51 SER N A 51 SER CA A 51 SER C A 52 LEU N 1.0 -59.6 -19.6 PSI 85 85 A 51 SER C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -85.4 -45.4 PHI 86 86 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ILE N 1.0 -63.5 -23.5 PSI 87 87 A 52 LEU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -83.7 -43.7 PHI 88 88 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 LYS N 1.0 -64.0 -24.0 PSI 89 89 A 53 ILE C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -86.9 -46.9 PHI 90 90 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 LYS N 1.0 -52.8 -12.8 PSI 91 91 A 54 LYS C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -104.0 -64.0 PHI 92 92 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 TYR N 1.0 -58.5 -18.5 PSI 93 93 A 55 LYS C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -144.2 -84.2 PHI 94 94 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 GLY N 1.0 -43.3 16.7 PSI 95 95 A 56 TYR C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 67.1 127.1 PHI 96 96 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 ALA N 1.0 128.3 194.9 PSI 97 97 A 57 GLY C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -83.4 -43.4 PHI 98 98 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 LYS N 1.0 -60.7 -20.7 PSI 99 99 A 58 ALA C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -83.4 -43.4 PHI 100 100 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 TYR N 1.0 -62.6 -22.6 PSI 101 101 A 59 LYS C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -85.1 -45.1 PHI 102 102 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 ALA N 1.0 -62.9 -22.9 PSI 103 103 A 60 TYR C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -85.0 -45.0 PHI 104 104 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ALA N 1.0 -60.6 -20.6 PSI 105 105 A 61 ALA C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -83.7 -43.7 PHI 106 106 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 ALA N 1.0 -61.9 -21.9 PSI 107 107 A 62 ALA C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -84.1 -44.1 PHI 108 108 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 TRP N 1.0 -55.5 -15.5 PSI 109 109 A 4 ASN N A 4 ASN CA A 4 ASN CB A 4 ASN CG 1.0 -90.0 -30.0 CHI1 110 110 A 5 LEU N A 5 LEU CA A 5 LEU CB A 5 LEU CG 1.0 -90.0 -30.0 CHI1 111 111 A 8 SER N A 8 SER CA A 8 SER CB A 8 SER OG 1.0 30.0 90.0 CHI1 112 112 A 10 TYR N A 10 TYR CA A 10 TYR CB A 10 TYR CG 1.0 150.0 210.0 CHI1 113 113 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 150.0 210.0 CHI1 114 114 A 16 ILE N A 16 ILE CA A 16 ILE CB A 16 ILE CG1 1.0 -90.0 -30.0 CHI1 115 115 A 18 ILE N A 18 ILE CA A 18 ILE CB A 18 ILE CG1 1.0 -90.0 -30.0 CHI1 116 116 A 21 THR N A 21 THR CA A 21 THR CB A 21 THR OG1 1.0 30.0 90.0 CHI1 117 117 A 23 SER N A 23 SER CA A 23 SER CB A 23 SER OG 1.0 -90.0 -30.0 CHI1 118 118 A 25 VAL N A 25 VAL CA A 25 VAL CB A 25 VAL CG1 1.0 150.0 210.0 CHI1 119 119 A 27 THR N A 27 THR CA A 27 THR CB A 27 THR OG1 1.0 -90.0 -30.0 CHI1 120 120 A 28 ILE N A 28 ILE CA A 28 ILE CB A 28 ILE CG1 1.0 -90.0 -30.0 CHI1 121 121 A 29 ILE N A 29 ILE CA A 29 ILE CB A 29 ILE CG1 1.0 -90.0 -30.0 CHI1 122 122 A 31 LEU N A 31 LEU CA A 31 LEU CB A 31 LEU CG 1.0 -90.0 -30.0 CHI1 123 123 A 33 THR N A 33 THR CA A 33 THR CB A 33 THR OG1 1.0 -90.0 -30.0 CHI1 124 124 A 35 VAL N A 35 VAL CA A 35 VAL CB A 35 VAL CG1 1.0 150.0 210.0 CHI1 125 125 A 36 VAL N A 36 VAL CA A 36 VAL CB A 36 VAL CG1 1.0 -90.0 -30.0 CHI1 126 126 A 40 LEU N A 40 LEU CA A 40 LEU CB A 40 LEU CG 1.0 -90.0 -30.0 CHI1 127 127 A 41 ILE N A 41 ILE CA A 41 ILE CB A 41 ILE CG1 1.0 -90.0 -30.0 CHI1 128 128 A 42 THR N A 42 THR CA A 42 THR CB A 42 THR OG1 1.0 30.0 90.0 CHI1 129 129 A 45 ILE N A 45 ILE CA A 45 ILE CB A 45 ILE CG1 1.0 -90.0 -30.0 CHI1 130 130 A 46 VAL N A 46 VAL CA A 46 VAL CB A 46 VAL CG1 1.0 150.0 210.0 CHI1 131 131 A 48 THR N A 48 THR CA A 48 THR CB A 48 THR OG1 1.0 -90.0 -30.0 CHI1 132 132 A 56 TYR N A 56 TYR CA A 56 TYR CB A 56 TYR CG 1.0 -90.0 -30.0 CHI1 133 133 A 60 TYR N A 60 TYR CA A 60 TYR CB A 60 TYR CG 1.0 150.0 210.0 CHI1 134 134 A 64 TRP N A 64 TRP CA A 64 TRP CB A 64 TRP CG 1.0 150.0 210.0 CHI1 stop_ save_