data_nef_c19436_2mcd 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_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ARG middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 HIS middle . . 10 A 10 HIS middle . . 11 A 11 GLY middle . false 12 A 28 SER middle . . 13 A 29 VAL middle . . 14 A 30 SER middle . . 15 A 31 PHE middle . . 16 A 32 GLY middle . false 17 A 33 ALA middle . . 18 A 34 PRO middle . false 19 A 35 SER middle . . 20 A 36 PRO middle . false 21 A 37 LEU middle . . 22 A 38 SER middle . . 23 A 39 SER middle . . 24 A 40 GLU middle . . 25 A 41 SER middle . . 26 A 42 GLU middle . . 27 A 43 ASP middle . . 28 A 44 GLU middle . . 29 A 45 ILE middle . . 30 A 46 ASN middle . . 31 A 47 TYR middle . . 32 A 48 MET middle . . 33 A 49 THR middle . . 34 A 50 PRO middle . false 35 A 51 PRO middle . false 36 A 52 GLU middle . . 37 A 53 GLN middle . . 38 A 54 GLU middle . . 39 A 55 ALA middle . . 40 A 56 GLN middle . . 41 A 57 PRO middle . false 42 A 58 GLY middle . false 43 A 59 ALA middle . . 44 A 60 LEU middle . . 45 A 61 ALA middle . . 46 A 62 ALA middle . . 47 A 63 LEU middle . . 48 A 64 HIS middle . . 49 A 65 ALA middle . . 50 A 66 GLU middle . . 51 A 67 GLY middle . false 52 A 68 PRO middle . false 53 A 69 LEU middle . . 54 A 70 ALA middle . . 55 A 71 GLY middle . false 56 A 72 LEU middle . . 57 A 73 PRO middle . false 58 A 74 VAL middle . . 59 A 75 THR middle . . 60 A 76 ARG middle . . 61 A 77 SER middle . . 62 A 78 ASP middle . . 63 A 79 ALA middle . . 64 A 80 ARG middle . . 65 A 81 VAL middle . . 66 A 82 LEU middle . . 67 A 83 ILE middle . . 68 A 84 PHE middle . . 69 A 85 ASN middle . . 70 A 86 GLU middle . . 71 A 87 TRP middle . . 72 A 88 GLU middle . . 73 A 89 GLU middle . . 74 A 90 ARG middle . . 75 A 91 LYS middle . . 76 A 92 LYS middle . . 77 A 93 SER middle . . 78 A 94 GLU middle . . 79 A 95 PRO middle . false 80 A 96 TRP middle . . 81 A 97 LEU middle . . 82 A 98 ARG middle . . 83 A 99 LEU middle . . 84 A 100 ASP middle . . 85 A 101 MET middle . . 86 A 102 SER middle . . 87 A 103 ASP middle . . 88 A 104 LYS middle . . 89 A 105 ALA middle . . 90 A 106 ILE middle . . 91 A 107 PHE middle . . 92 A 108 ARG middle . . 93 A 109 ARG middle . . 94 A 110 TYR middle . . 95 A 111 PRO middle . false 96 A 112 HIS middle . . 97 A 113 LEU middle . . 98 A 114 ARG 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 30 SER H H 1 7.961 0.000 A 30 SER N N 15 124.709 0.000 A 33 ALA H H 1 8.210 0.004 A 33 ALA N N 15 125.234 0.016 A 34 PRO HA H 1 4.442 0.000 A 34 PRO HBx H 1 2.262 0.000 A 34 PRO HBy H 1 2.262 0.000 A 34 PRO HDy H 1 3.847 0.000 A 34 PRO HDx H 1 3.649 0.000 A 34 PRO HGy H 1 2.020 0.000 A 34 PRO HGx H 1 1.895 0.000 A 34 PRO CA C 13 62.895 0.000 A 34 PRO CB C 13 31.958 0.000 A 34 PRO CD C 13 50.426 0.000 A 34 PRO CG C 13 27.399 0.000 A 35 SER H H 1 8.434 0.004 A 35 SER N N 15 117.584 0.009 A 36 PRO HA H 1 4.442 0.003 A 36 PRO HDx H 1 3.770 0.000 A 36 PRO HDy H 1 3.770 0.000 A 36 PRO C C 13 176.912 0.000 A 36 PRO CA C 13 63.325 0.000 A 36 PRO CB C 13 32.011 0.000 A 36 PRO CD C 13 50.758 0.000 A 36 PRO CG C 13 27.272 0.000 A 37 LEU H H 1 8.281 0.004 A 37 LEU HA H 1 4.344 0.000 A 37 LEU HBx H 1 1.622 0.002 A 37 LEU HBy H 1 1.622 0.002 A 37 LEU HDx% H 1 0.899 0.000 A 37 LEU HDy% H 1 0.887 0.012 A 37 LEU C C 13 177.549 0.022 A 37 LEU CA C 13 55.395 0.000 A 37 LEU CB C 13 42.317 0.000 A 37 LEU CDy C 13 24.870 0.000 A 37 LEU CDx C 13 23.483 0.000 A 37 LEU CG C 13 27.058 0.000 A 37 LEU N N 15 121.539 0.006 A 38 SER H H 1 8.250 0.003 A 38 SER HA H 1 4.464 0.000 A 38 SER HBx H 1 3.879 0.000 A 38 SER HBy H 1 3.879 0.000 A 38 SER C C 13 174.630 0.000 A 38 SER CA C 13 58.262 0.000 A 38 SER CB C 13 63.883 0.000 A 38 SER N N 15 116.435 0.021 A 39 SER H H 1 8.392 0.002 A 39 SER HA H 1 4.481 0.001 A 39 SER HBx H 1 3.876 0.000 A 39 SER HBy H 1 3.876 0.000 A 39 SER C C 13 174.630 0.006 A 39 SER CA C 13 58.511 0.000 A 39 SER CB C 13 63.827 0.000 A 39 SER N N 15 117.774 0.014 A 40 GLU H H 1 8.458 0.005 A 40 GLU HA H 1 4.332 0.002 A 40 GLU HBy H 1 2.101 0.000 A 40 GLU HBx H 1 1.930 0.003 A 40 GLU HGx H 1 2.266 0.000 A 40 GLU HGy H 1 2.266 0.000 A 40 GLU C C 13 176.591 0.001 A 40 GLU CA C 13 56.846 0.000 A 40 GLU CB C 13 30.125 0.000 A 40 GLU CG C 13 36.397 0.000 A 40 GLU N N 15 122.440 0.006 A 41 SER H H 1 8.280 0.004 A 41 SER HA H 1 4.449 0.005 A 41 SER HBx H 1 3.865 0.001 A 41 SER HBy H 1 3.865 0.001 A 41 SER C C 13 174.763 0.004 A 41 SER CA C 13 58.455 0.000 A 41 SER CB C 13 64.002 0.000 A 41 SER N N 15 116.179 0.012 A 42 GLU H H 1 8.488 0.004 A 42 GLU HA H 1 4.212 0.004 A 42 GLU HBy H 1 2.078 0.002 A 42 GLU HBx H 1 1.937 0.003 A 42 GLU HGx H 1 2.253 0.003 A 42 GLU HGy H 1 2.253 0.003 A 42 GLU C C 13 176.344 0.000 A 42 GLU CA C 13 56.967 0.000 A 42 GLU CB C 13 30.176 0.000 A 42 GLU CG C 13 36.392 0.000 A 42 GLU N N 15 122.989 0.012 A 43 ASP H H 1 8.271 0.004 A 43 ASP HA H 1 4.555 0.001 A 43 ASP HBy H 1 2.681 0.004 A 43 ASP HBx H 1 2.568 0.001 A 43 ASP C C 13 176.345 0.000 A 43 ASP CA C 13 54.503 0.000 A 43 ASP CB C 13 41.315 0.000 A 43 ASP N N 15 120.638 0.041 A 44 GLU H H 1 8.237 0.003 A 44 GLU HA H 1 4.210 0.002 A 44 GLU HBy H 1 2.028 0.001 A 44 GLU HBx H 1 1.943 0.001 A 44 GLU HGx H 1 2.237 0.004 A 44 GLU HGy H 1 2.237 0.004 A 44 GLU C C 13 176.645 0.005 A 44 GLU CA C 13 56.895 0.000 A 44 GLU CB C 13 30.277 0.000 A 44 GLU CG C 13 36.364 0.000 A 44 GLU N N 15 121.032 0.015 A 45 ILE H H 1 8.092 0.003 A 45 ILE HA H 1 4.026 0.002 A 45 ILE HB H 1 1.771 0.000 A 45 ILE HD1% H 1 0.818 0.002 A 45 ILE HG1y H 1 1.417 0.001 A 45 ILE HG1x H 1 1.127 0.003 A 45 ILE HG2% H 1 0.712 0.002 A 45 ILE C C 13 175.882 0.002 A 45 ILE CA C 13 61.543 0.000 A 45 ILE CB C 13 38.565 0.000 A 45 ILE CD1 C 13 12.936 0.000 A 45 ILE CG1 C 13 27.490 0.000 A 45 ILE CG2 C 13 17.312 0.000 A 45 ILE N N 15 121.490 0.015 A 46 ASN H H 1 8.324 0.003 A 46 ASN HA H 1 4.682 0.005 A 46 ASN HBy H 1 2.753 0.013 A 46 ASN HBx H 1 2.656 0.015 A 46 ASN C C 13 174.843 0.012 A 46 ASN CA C 13 53.406 0.000 A 46 ASN CB C 13 39.042 0.000 A 46 ASN N N 15 121.987 0.012 A 47 TYR H H 1 8.066 0.004 A 47 TYR HA H 1 4.514 0.006 A 47 TYR HBy H 1 3.041 0.003 A 47 TYR HBx H 1 2.935 0.007 A 47 TYR HDx H 1 7.094 0.001 A 47 TYR HDy H 1 7.094 0.001 A 47 TYR C C 13 175.538 0.000 A 47 TYR CA C 13 58.113 0.000 A 47 TYR CB C 13 38.637 0.096 A 47 TYR N N 15 120.946 0.028 A 48 MET H H 1 8.126 0.004 A 48 MET HA H 1 4.458 0.000 A 48 MET HBx H 1 1.979 0.015 A 48 MET HBy H 1 1.979 0.015 A 48 MET HGy H 1 2.511 0.000 A 48 MET HGx H 1 2.375 0.000 A 48 MET C C 13 175.647 0.011 A 48 MET CA C 13 55.294 0.000 A 48 MET CB C 13 33.127 0.000 A 48 MET CG C 13 31.869 0.000 A 48 MET N N 15 121.921 0.029 A 49 THR H H 1 8.107 0.003 A 49 THR HA H 1 4.461 0.000 A 49 THR HB H 1 4.072 0.000 A 49 THR HG2% H 1 1.234 0.001 A 49 THR C C 13 172.275 0.000 A 49 THR CB C 13 69.723 0.000 A 49 THR N N 15 118.482 0.008 A 51 PRO HA H 1 4.376 0.000 A 51 PRO HBx H 1 2.245 0.000 A 51 PRO HBy H 1 2.245 0.000 A 51 PRO HDx H 1 3.698 0.000 A 51 PRO HDy H 1 3.698 0.000 A 51 PRO HGy H 1 1.987 0.000 A 51 PRO HGx H 1 1.902 0.000 A 51 PRO C C 13 177.266 0.000 A 51 PRO CA C 13 63.268 0.000 A 51 PRO CB C 13 31.954 0.000 A 51 PRO CD C 13 50.452 0.000 A 51 PRO CG C 13 27.439 0.000 A 52 GLU H H 1 8.600 0.003 A 52 GLU HA H 1 4.172 0.002 A 52 GLU HBy H 1 2.006 0.006 A 52 GLU HBx H 1 1.926 0.004 A 52 GLU HGx H 1 2.247 0.006 A 52 GLU HGy H 1 2.247 0.006 A 52 GLU C C 13 176.750 0.008 A 52 GLU CA C 13 57.172 0.000 A 52 GLU CB C 13 29.819 0.000 A 52 GLU CG C 13 36.359 0.000 A 52 GLU N N 15 120.148 0.018 A 53 GLN H H 1 8.281 0.004 A 53 GLN HA H 1 4.256 0.004 A 53 GLN HBy H 1 2.057 0.009 A 53 GLN HBx H 1 1.932 0.010 A 53 GLN HGx H 1 2.303 0.003 A 53 GLN HGy H 1 2.303 0.003 A 53 GLN C C 13 175.773 0.000 A 53 GLN CA C 13 56.019 0.000 A 53 GLN CB C 13 29.590 0.000 A 53 GLN CG C 13 33.849 0.000 A 53 GLN N N 15 120.416 0.018 A 54 GLU H H 1 8.281 0.003 A 54 GLU HA H 1 4.167 0.000 A 54 GLU HBy H 1 1.963 0.006 A 54 GLU HBx H 1 1.856 0.006 A 54 GLU HGx H 1 2.205 0.004 A 54 GLU HGy H 1 2.205 0.004 A 54 GLU C C 13 175.786 0.007 A 54 GLU CA C 13 56.623 0.000 A 54 GLU CB C 13 30.328 0.000 A 54 GLU CG C 13 36.382 0.000 A 54 GLU N N 15 121.548 0.017 A 55 ALA H H 1 8.049 0.004 A 55 ALA HA H 1 4.149 0.001 A 55 ALA HB% H 1 1.174 0.006 A 55 ALA C C 13 176.838 0.009 A 55 ALA CA C 13 52.159 0.000 A 55 ALA CB C 13 19.286 0.000 A 55 ALA N N 15 124.473 0.011 A 56 GLN H H 1 8.131 0.009 A 56 GLN HA H 1 4.362 0.000 A 56 GLN HBy H 1 1.982 0.000 A 56 GLN HBx H 1 1.817 0.000 A 56 GLN C C 13 174.004 0.000 A 56 GLN N N 15 120.535 0.036 A 57 PRO HA H 1 4.389 0.003 A 57 PRO HBx H 1 2.262 0.006 A 57 PRO HBy H 1 2.262 0.006 A 57 PRO HDy H 1 3.607 0.016 A 57 PRO HDx H 1 3.505 0.000 A 57 PRO HGx H 1 1.940 0.001 A 57 PRO HGy H 1 1.940 0.001 A 57 PRO C C 13 177.484 0.000 A 57 PRO CA C 13 63.555 0.000 A 57 PRO CB C 13 31.872 0.000 A 57 PRO CD C 13 50.649 0.000 A 57 PRO CG C 13 27.484 0.000 A 58 GLY H H 1 8.511 0.003 A 58 GLY HAy H 1 3.947 0.000 A 58 GLY HAx H 1 3.863 0.004 A 58 GLY C C 13 173.572 0.009 A 58 GLY CA C 13 45.163 0.000 A 58 GLY N N 15 110.099 0.010 A 59 ALA H H 1 7.908 0.004 A 59 ALA HA H 1 4.303 0.002 A 59 ALA HB% H 1 1.389 0.003 A 59 ALA C C 13 176.889 0.002 A 59 ALA CA C 13 52.516 0.000 A 59 ALA CB C 13 19.962 0.035 A 59 ALA N N 15 122.659 0.016 A 60 LEU H H 1 8.146 0.004 A 60 LEU HA H 1 4.486 0.002 A 60 LEU HBy H 1 1.562 0.002 A 60 LEU HBx H 1 1.498 0.005 A 60 LEU HDx% H 1 0.886 0.010 A 60 LEU HDy% H 1 0.855 0.002 A 60 LEU HG H 1 1.573 0.000 A 60 LEU C C 13 176.395 0.039 A 60 LEU CA C 13 54.143 0.000 A 60 LEU CB C 13 43.660 0.052 A 60 LEU CDy C 13 24.785 0.000 A 60 LEU CDx C 13 23.743 0.030 A 60 LEU CG C 13 26.970 0.000 A 60 LEU N N 15 120.517 0.017 A 61 ALA H H 1 8.570 0.003 A 61 ALA HA H 1 4.487 0.002 A 61 ALA HB% H 1 1.270 0.002 A 61 ALA C C 13 176.100 0.000 A 61 ALA CA C 13 51.192 0.000 A 61 ALA CB C 13 20.176 0.040 A 61 ALA N N 15 126.204 0.008 A 62 ALA H H 1 8.665 0.006 A 62 ALA HA H 1 4.303 0.005 A 62 ALA HB% H 1 1.292 0.003 A 62 ALA C C 13 176.096 0.002 A 62 ALA CA C 13 51.956 0.000 A 62 ALA CB C 13 18.945 0.011 A 62 ALA N N 15 128.202 0.004 A 63 LEU H H 1 8.034 0.003 A 63 LEU HA H 1 4.897 0.006 A 63 LEU HBy H 1 1.511 0.006 A 63 LEU HBx H 1 0.939 0.002 A 63 LEU HDx% H 1 0.833 0.005 A 63 LEU HDy% H 1 0.542 0.003 A 63 LEU HG H 1 1.550 0.006 A 63 LEU C C 13 178.865 0.002 A 63 LEU CA C 13 52.051 0.000 A 63 LEU CB C 13 44.147 0.046 A 63 LEU CDy C 13 25.147 0.056 A 63 LEU CDx C 13 22.234 0.067 A 63 LEU CG C 13 26.783 0.000 A 63 LEU N N 15 120.119 0.011 A 64 HIS H H 1 8.573 0.003 A 64 HIS HA H 1 4.186 0.005 A 64 HIS HBy H 1 3.212 0.006 A 64 HIS HBx H 1 2.690 0.005 A 64 HIS HD2 H 1 6.627 0.007 A 64 HIS HE1 H 1 7.862 0.013 A 64 HIS C C 13 177.524 0.000 A 64 HIS CB C 13 31.231 0.088 A 64 HIS N N 15 122.302 0.009 A 65 ALA HA H 1 4.411 0.001 A 65 ALA HB% H 1 1.523 0.002 A 65 ALA CA C 13 53.433 0.026 A 65 ALA CB C 13 20.342 0.066 A 66 GLU H H 1 7.857 0.004 A 66 GLU HA H 1 4.684 0.001 A 66 GLU HBx H 1 1.990 0.009 A 66 GLU HBy H 1 1.990 0.009 A 66 GLU HGx H 1 2.151 0.007 A 66 GLU HGy H 1 2.151 0.007 A 66 GLU CA C 13 54.841 0.000 A 66 GLU CB C 13 33.102 0.000 A 66 GLU CG C 13 35.263 0.000 A 66 GLU N N 15 113.936 0.014 A 67 GLY H H 1 8.661 0.004 A 67 GLY HAx H 1 4.787 0.001 A 67 GLY N N 15 108.193 0.009 A 68 PRO HA H 1 4.278 0.006 A 68 PRO HBy H 1 2.333 0.002 A 68 PRO HBx H 1 1.805 0.003 A 68 PRO HDy H 1 3.744 0.004 A 68 PRO HDx H 1 3.552 0.007 A 68 PRO HGy H 1 1.997 0.000 A 68 PRO HGx H 1 1.904 0.000 A 68 PRO C C 13 177.885 0.000 A 68 PRO CA C 13 64.598 0.000 A 68 PRO CB C 13 31.945 0.148 A 68 PRO CD C 13 49.560 0.000 A 68 PRO CG C 13 27.199 0.000 A 69 LEU H H 1 8.557 0.003 A 69 LEU HA H 1 4.256 0.004 A 69 LEU HBy H 1 1.009 0.006 A 69 LEU HBx H 1 0.860 0.008 A 69 LEU HDx% H 1 0.532 0.004 A 69 LEU HDy% H 1 0.447 0.004 A 69 LEU HG H 1 1.160 0.006 A 69 LEU C C 13 174.928 0.001 A 69 LEU CA C 13 52.682 0.000 A 69 LEU CB C 13 40.999 0.065 A 69 LEU CDy C 13 25.403 0.073 A 69 LEU CDx C 13 21.715 0.042 A 69 LEU CG C 13 26.421 0.133 A 69 LEU N N 15 117.378 0.021 A 70 ALA H H 1 7.202 0.003 A 70 ALA HA H 1 3.476 0.003 A 70 ALA HB% H 1 1.193 0.001 A 70 ALA C C 13 178.760 0.005 A 70 ALA CA C 13 53.756 0.028 A 70 ALA CB C 13 17.949 0.043 A 70 ALA N N 15 120.501 0.016 A 71 GLY H H 1 8.942 0.004 A 71 GLY HAy H 1 4.247 0.003 A 71 GLY HAx H 1 3.666 0.003 A 71 GLY C C 13 173.272 0.005 A 71 GLY CA C 13 45.183 0.118 A 71 GLY N N 15 108.963 0.025 A 72 LEU H H 1 8.216 0.003 A 72 LEU HA H 1 4.830 0.002 A 72 LEU HBy H 1 1.988 0.008 A 72 LEU HBx H 1 1.094 0.020 A 72 LEU HDx% H 1 0.652 0.008 A 72 LEU HG H 1 1.444 0.003 A 72 LEU C C 13 174.422 0.000 A 72 LEU CB C 13 41.282 0.047 A 72 LEU CDx C 13 25.276 0.036 A 72 LEU CG C 13 26.761 0.070 A 72 LEU N N 15 120.080 0.010 A 73 PRO HA H 1 4.803 0.012 A 73 PRO HBy H 1 1.873 0.010 A 73 PRO HBx H 1 1.608 0.008 A 73 PRO HDy H 1 3.451 0.003 A 73 PRO HDx H 1 3.250 0.005 A 73 PRO HGy H 1 1.365 0.007 A 73 PRO HGx H 1 0.708 0.006 A 73 PRO CA C 13 61.528 0.000 A 73 PRO CB C 13 31.384 0.085 A 73 PRO CD C 13 50.151 0.058 A 73 PRO CG C 13 27.081 0.081 A 74 VAL H H 1 7.784 0.003 A 74 VAL HA H 1 3.510 0.008 A 74 VAL HB H 1 1.922 0.003 A 74 VAL HGx% H 1 0.782 0.004 A 74 VAL HGy% H 1 0.046 0.002 A 74 VAL CA C 13 65.888 0.035 A 74 VAL CB C 13 31.208 0.050 A 74 VAL CGy C 13 21.324 0.065 A 74 VAL CGx C 13 20.970 0.065 A 74 VAL N N 15 121.846 0.005 A 75 THR H H 1 8.911 0.004 A 75 THR HA H 1 4.996 0.008 A 75 THR HB H 1 4.685 0.004 A 75 THR HG2% H 1 1.252 0.008 A 75 THR CA C 13 59.964 0.000 A 75 THR CB C 13 73.8 0.000 A 75 THR CG2 C 13 21.861 0.020 A 75 THR N N 15 109.158 0.010 A 76 ARG H H 1 9.305 0.005 A 76 ARG HA H 1 3.936 0.002 A 76 ARG HBx H 1 2.020 0.001 A 76 ARG HBy H 1 2.020 0.001 A 76 ARG HDx H 1 3.292 0.000 A 76 ARG HDy H 1 3.292 0.000 A 76 ARG HGy H 1 1.871 0.000 A 76 ARG HGx H 1 1.603 0.000 A 76 ARG CA C 13 60.596 0.022 A 76 ARG CB C 13 29.617 0.000 A 76 ARG CD C 13 43.898 0.000 A 76 ARG CG C 13 30.201 0.000 A 76 ARG N N 15 120.175 0.009 A 77 SER H H 1 8.192 0.003 A 77 SER HA H 1 4.118 0.002 A 77 SER HBx H 1 3.865 0.001 A 77 SER HBy H 1 3.865 0.001 A 77 SER CA C 13 62.355 0.000 A 77 SER CB C 13 62.355 0.000 A 77 SER N N 15 114.367 0.018 A 78 ASP H H 1 7.354 0.004 A 78 ASP HA H 1 4.396 0.004 A 78 ASP HBy H 1 3.011 0.007 A 78 ASP HBx H 1 2.699 0.002 A 78 ASP C C 13 177.220 0.005 A 78 ASP CA C 13 58.113 0.000 A 78 ASP CB C 13 43.287 0.079 A 78 ASP N N 15 120.511 0.007 A 79 ALA H H 1 7.838 0.003 A 79 ALA HA H 1 3.736 0.004 A 79 ALA HB% H 1 1.412 0.006 A 79 ALA C C 13 178.603 0.006 A 79 ALA CA C 13 54.879 0.035 A 79 ALA CB C 13 19.739 0.026 A 79 ALA N N 15 120.606 0.006 A 80 ARG H H 1 8.060 0.004 A 80 ARG HA H 1 3.796 0.004 A 80 ARG HBx H 1 2.047 0.009 A 80 ARG HBy H 1 2.047 0.009 A 80 ARG HDx H 1 3.258 0.000 A 80 ARG HDy H 1 3.258 0.000 A 80 ARG HGx H 1 1.553 0.004 A 80 ARG HGy H 1 1.553 0.004 A 80 ARG C C 13 177.903 0.000 A 80 ARG CA C 13 61.517 0.042 A 80 ARG CB C 13 30.351 0.048 A 80 ARG CD C 13 43.448 0.000 A 80 ARG CG C 13 31.041 0.000 A 80 ARG N N 15 116.233 0.010 A 81 VAL H H 1 7.413 0.003 A 81 VAL HA H 1 3.636 0.004 A 81 VAL HB H 1 2.275 0.006 A 81 VAL HGx% H 1 1.019 0.006 A 81 VAL HGy% H 1 0.901 0.006 A 81 VAL C C 13 177.817 0.020 A 81 VAL CA C 13 67.018 0.042 A 81 VAL CB C 13 31.821 0.030 A 81 VAL CGy C 13 22.666 0.034 A 81 VAL CGx C 13 21.793 0.057 A 81 VAL N N 15 119.026 0.010 A 82 LEU H H 1 7.666 0.003 A 82 LEU HA H 1 4.113 0.004 A 82 LEU HBy H 1 2.136 0.004 A 82 LEU HBx H 1 1.625 0.004 A 82 LEU HDx% H 1 0.910 0.001 A 82 LEU HDy% H 1 0.812 0.004 A 82 LEU HG H 1 1.815 0.009 A 82 LEU C C 13 180.992 0.001 A 82 LEU CA C 13 58.382 0.000 A 82 LEU CB C 13 41.668 0.041 A 82 LEU CDx C 13 22.740 0.099 A 82 LEU CDy C 13 26.223 0.039 A 82 LEU CG C 13 26.399 0.112 A 82 LEU N N 15 118.565 0.005 A 83 ILE H H 1 8.612 0.003 A 83 ILE HA H 1 3.698 0.003 A 83 ILE HB H 1 1.887 0.002 A 83 ILE HD1% H 1 0.876 0.019 A 83 ILE HG1y H 1 2.116 0.004 A 83 ILE HG1x H 1 1.108 0.015 A 83 ILE HG2% H 1 0.960 0.004 A 83 ILE C C 13 178.708 0.009 A 83 ILE CA C 13 65.868 0.016 A 83 ILE CB C 13 38.755 0.022 A 83 ILE CD1 C 13 14.369 0.024 A 83 ILE CG1 C 13 29.842 0.061 A 83 ILE CG2 C 13 17.366 0.051 A 83 ILE N N 15 120.998 0.009 A 84 PHE H H 1 8.748 0.003 A 84 PHE HA H 1 4.174 0.009 A 84 PHE HBy H 1 3.435 0.022 A 84 PHE HBx H 1 3.305 0.007 A 84 PHE HDx H 1 7.306 0.016 A 84 PHE HDy H 1 7.306 0.016 A 84 PHE HEx H 1 7.375 0.000 A 84 PHE HEy H 1 7.375 0.000 A 84 PHE C C 13 176.998 0.002 A 84 PHE CA C 13 62.566 0.000 A 84 PHE CB C 13 39.295 0.039 A 84 PHE N N 15 123.370 0.015 A 85 ASN H H 1 8.990 0.003 A 85 ASN HA H 1 4.478 0.002 A 85 ASN HBy H 1 3.025 0.010 A 85 ASN HBx H 1 2.887 0.005 A 85 ASN C C 13 178.706 0.003 A 85 ASN CA C 13 56.027 0.000 A 85 ASN CB C 13 37.883 0.051 A 85 ASN N N 15 117.944 0.017 A 86 GLU H H 1 8.177 0.005 A 86 GLU HA H 1 4.123 0.009 A 86 GLU HBy H 1 2.244 0.020 A 86 GLU HBx H 1 2.155 0.024 A 86 GLU HGx H 1 2.428 0.005 A 86 GLU HGy H 1 2.428 0.005 A 86 GLU C C 13 177.753 0.004 A 86 GLU CA C 13 59.415 0.000 A 86 GLU CB C 13 30.146 0.067 A 86 GLU CG C 13 36.901 0.000 A 86 GLU N N 15 121.168 0.023 A 87 TRP H H 1 8.160 0.004 A 87 TRP HA H 1 4.018 0.005 A 87 TRP HBy H 1 3.463 0.003 A 87 TRP HBx H 1 3.230 0.004 A 87 TRP HD1 H 1 6.750 0.007 A 87 TRP HE1 H 1 9.418 0.002 A 87 TRP HE3 H 1 7.017 0.008 A 87 TRP HH2 H 1 7.441 0.001 A 87 TRP HZ2 H 1 7.429 0.006 A 87 TRP HZ3 H 1 7.229 0.073 A 87 TRP C C 13 176.647 0.007 A 87 TRP CA C 13 61.743 0.044 A 87 TRP CB C 13 27.960 0.032 A 87 TRP N N 15 122.549 0.028 A 87 TRP NE1 N 15 128.409 0.013 A 88 GLU H H 1 8.558 0.003 A 88 GLU HA H 1 2.962 0.002 A 88 GLU HBy H 1 1.864 0.003 A 88 GLU HBx H 1 1.777 0.004 A 88 GLU HGy H 1 2.022 0.012 A 88 GLU HGx H 1 1.876 0.009 A 88 GLU C C 13 178.417 0.015 A 88 GLU CA C 13 59.739 0.039 A 88 GLU CB C 13 29.601 0.061 A 88 GLU CG C 13 37.351 0.036 A 88 GLU N N 15 117.397 0.011 A 89 GLU H H 1 7.296 0.003 A 89 GLU HA H 1 4.049 0.002 A 89 GLU HBx H 1 2.044 0.006 A 89 GLU HBy H 1 2.044 0.006 A 89 GLU HGx H 1 2.238 0.001 A 89 GLU HGy H 1 2.238 0.001 A 89 GLU C C 13 179.462 0.012 A 89 GLU CA C 13 58.264 0.000 A 89 GLU CB C 13 29.826 0.040 A 89 GLU CG C 13 35.531 0.000 A 89 GLU N N 15 116.047 0.012 A 90 ARG H H 1 8.420 0.003 A 90 ARG HA H 1 3.922 0.002 A 90 ARG HBy H 1 1.882 0.011 A 90 ARG HBx H 1 1.789 0.003 A 90 ARG HDy H 1 3.210 0.000 A 90 ARG HDx H 1 2.963 0.000 A 90 ARG HGx H 1 1.556 0.005 A 90 ARG HGy H 1 1.556 0.005 A 90 ARG C C 13 178.832 0.010 A 90 ARG CA C 13 58.846 0.043 A 90 ARG CB C 13 31.388 0.023 A 90 ARG CD C 13 43.741 0.000 A 90 ARG CG C 13 27.609 0.000 A 90 ARG N N 15 120.321 0.007 A 91 LYS H H 1 8.436 0.003 A 91 LYS HA H 1 3.681 0.002 A 91 LYS HBy H 1 1.226 0.003 A 91 LYS HBx H 1 0.746 0.006 A 91 LYS HEy H 1 2.482 0.000 A 91 LYS HEx H 1 2.299 0.000 A 91 LYS C C 13 176.846 0.001 A 91 LYS CA C 13 57.540 0.049 A 91 LYS CB C 13 30.572 0.039 A 91 LYS CD C 13 28.974 0.000 A 91 LYS CE C 13 41.860 0.000 A 91 LYS CG C 13 23.314 0.000 A 91 LYS N N 15 118.447 0.018 A 92 LYS H H 1 6.904 0.003 A 92 LYS HA H 1 3.817 0.000 A 92 LYS HBx H 1 1.740 0.005 A 92 LYS HBy H 1 1.740 0.005 A 92 LYS HDx H 1 1.494 0.000 A 92 LYS HDy H 1 1.494 0.000 A 92 LYS HEx H 1 2.908 0.000 A 92 LYS HEy H 1 2.908 0.000 A 92 LYS HGx H 1 1.285 0.002 A 92 LYS HGy H 1 1.285 0.002 A 92 LYS C C 13 177.762 0.001 A 92 LYS CA C 13 59.207 0.000 A 92 LYS CB C 13 32.269 0.000 A 92 LYS CD C 13 29.397 0.000 A 92 LYS CE C 13 42.260 0.000 A 92 LYS CG C 13 25.422 0.000 A 92 LYS N N 15 117.663 0.010 A 93 SER H H 1 7.381 0.004 A 93 SER HA H 1 4.527 0.002 A 93 SER HBy H 1 3.901 0.003 A 93 SER HBx H 1 3.777 0.000 A 93 SER C C 13 174.006 0.003 A 93 SER CA C 13 58.671 0.000 A 93 SER CB C 13 64.444 0.000 A 93 SER N N 15 110.383 0.012 A 94 GLU H H 1 7.625 0.004 A 94 GLU HA H 1 3.681 0.003 A 94 GLU HBy H 1 1.491 0.003 A 94 GLU HBx H 1 0.941 0.003 A 94 GLU HGy H 1 2.002 0.006 A 94 GLU HGx H 1 1.915 0.007 A 94 GLU C C 13 172.751 0.000 A 94 GLU CA C 13 52.861 0.040 A 94 GLU CB C 13 30.206 0.061 A 94 GLU CG C 13 35.945 0.028 A 94 GLU N N 15 121.734 0.019 A 95 PRO HA H 1 4.267 0.003 A 95 PRO HBx H 1 2.196 0.006 A 95 PRO HBy H 1 2.196 0.006 A 95 PRO HDy H 1 3.248 0.004 A 95 PRO HDx H 1 2.929 0.003 A 95 PRO HGx H 1 1.856 0.014 A 95 PRO HGy H 1 1.856 0.014 A 95 PRO C C 13 176.541 0.000 A 95 PRO CA C 13 64.621 0.000 A 95 PRO CB C 13 31.452 0.019 A 95 PRO CD C 13 50.281 0.040 A 95 PRO CG C 13 27.023 0.000 A 96 TRP H H 1 6.837 0.003 A 96 TRP HA H 1 4.645 0.005 A 96 TRP HBx H 1 3.378 0.005 A 96 TRP HBy H 1 3.378 0.005 A 96 TRP HD1 H 1 7.165 0.002 A 96 TRP HE1 H 1 10.716 0.001 A 96 TRP HE3 H 1 7.703 0.002 A 96 TRP HH2 H 1 7.393 0.008 A 96 TRP HZ2 H 1 7.618 0.004 A 96 TRP HZ3 H 1 7.307 0.006 A 96 TRP C C 13 176.530 0.000 A 96 TRP CA C 13 56.604 0.000 A 96 TRP CB C 13 28.026 0.006 A 96 TRP N N 15 115.298 0.010 A 96 TRP NE1 N 15 132.336 0.006 A 97 LEU H H 1 7.252 0.003 A 97 LEU HA H 1 4.149 0.005 A 97 LEU HBy H 1 1.608 0.012 A 97 LEU HBx H 1 1.392 0.003 A 97 LEU HDx% H 1 0.867 0.006 A 97 LEU HDy% H 1 0.920 0.009 A 97 LEU HG H 1 1.570 0.009 A 97 LEU C C 13 177.528 0.011 A 97 LEU CA C 13 56.277 0.000 A 97 LEU CB C 13 43.152 0.092 A 97 LEU CDy C 13 25.433 0.055 A 97 LEU CDx C 13 24.466 0.053 A 97 LEU CG C 13 26.329 0.107 A 97 LEU N N 15 125.040 0.010 A 98 ARG H H 1 8.892 0.003 A 98 ARG HA H 1 4.578 0.001 A 98 ARG HBx H 1 1.781 0.001 A 98 ARG HBy H 1 1.781 0.001 A 98 ARG HDx H 1 3.245 0.000 A 98 ARG HDy H 1 3.245 0.000 A 98 ARG HGx H 1 1.637 0.003 A 98 ARG HGy H 1 1.637 0.003 A 98 ARG C C 13 175.757 0.004 A 98 ARG CA C 13 55.105 0.000 A 98 ARG CB C 13 31.397 0.052 A 98 ARG CD C 13 43.263 0.000 A 98 ARG CG C 13 27.382 0.000 A 98 ARG N N 15 128.225 0.011 A 99 LEU H H 1 8.328 0.003 A 99 LEU HA H 1 3.560 0.010 A 99 LEU HBx H 1 -0.982 0.009 A 99 LEU HBy H 1 0.934 0.002 A 99 LEU HDx% H 1 0.933 0.003 A 99 LEU HDy% H 1 0.511 0.007 A 99 LEU HG H 1 0.403 0.024 A 99 LEU C C 13 175.383 0.005 A 99 LEU CA C 13 54.595 0.023 A 99 LEU CB C 13 40.405 0.054 A 99 LEU CDy C 13 26.665 0.060 A 99 LEU CDx C 13 21.903 0.037 A 99 LEU CG C 13 25.638 0.039 A 99 LEU N N 15 127.896 0.009 A 100 ASP H H 1 8.050 0.004 A 100 ASP HA H 1 4.719 0.004 A 100 ASP HBy H 1 2.753 0.001 A 100 ASP HBx H 1 2.330 0.003 A 100 ASP C C 13 174.373 0.001 A 100 ASP CA C 13 52.936 0.000 A 100 ASP CB C 13 41.363 0.000 A 100 ASP N N 15 126.566 0.014 A 101 MET H H 1 8.777 0.003 A 101 MET HA H 1 4.539 0.003 A 101 MET HBx H 1 1.990 0.011 A 101 MET HBy H 1 1.990 0.011 A 101 MET HE% H 1 2.009 0.003 A 101 MET HGy H 1 2.317 0.005 A 101 MET HGx H 1 2.239 0.005 A 101 MET C C 13 174.798 0.000 A 101 MET CA C 13 53.657 0.000 A 101 MET CB C 13 33.356 0.000 A 101 MET CE C 13 17.203 0.031 A 101 MET CG C 13 31.822 0.045 A 101 MET N N 15 122.596 0.007 A 102 SER H H 1 8.179 0.003 A 102 SER HA H 1 4.183 0.007 A 102 SER HBx H 1 4.051 0.000 A 102 SER HBy H 1 4.051 0.000 A 102 SER C C 13 173.995 0.008 A 102 SER CA C 13 58.683 0.000 A 102 SER CB C 13 64.826 0.000 A 102 SER N N 15 116.028 0.016 A 103 ASP H H 1 8.789 0.004 A 103 ASP HA H 1 3.788 0.003 A 103 ASP HBy H 1 2.403 0.008 A 103 ASP HBx H 1 2.200 0.009 A 103 ASP C C 13 176.757 0.004 A 103 ASP CA C 13 57.426 0.000 A 103 ASP CB C 13 38.866 0.000 A 103 ASP N N 15 121.658 0.023 A 104 LYS H H 1 7.876 0.003 A 104 LYS HA H 1 3.751 0.005 A 104 LYS HBy H 1 1.760 0.003 A 104 LYS HBx H 1 1.703 0.006 A 104 LYS HDx H 1 1.519 0.000 A 104 LYS HDy H 1 1.519 0.000 A 104 LYS HEx H 1 2.990 0.000 A 104 LYS HEy H 1 2.990 0.000 A 104 LYS HGx H 1 1.374 0.000 A 104 LYS HGy H 1 1.374 0.000 A 104 LYS C C 13 178.882 0.007 A 104 LYS CA C 13 59.891 0.000 A 104 LYS CB C 13 32.195 0.039 A 104 LYS CD C 13 29.404 0.000 A 104 LYS CE C 13 42.033 0.000 A 104 LYS CG C 13 25.072 0.000 A 104 LYS N N 15 116.258 0.019 A 105 ALA H H 1 7.360 0.003 A 105 ALA HA H 1 3.939 0.004 A 105 ALA HB% H 1 1.287 0.004 A 105 ALA C C 13 181.112 0.000 A 105 ALA CA C 13 55.118 0.043 A 105 ALA CB C 13 17.847 0.025 A 105 ALA N N 15 122.459 0.014 A 106 ILE H H 1 8.119 0.004 A 106 ILE HA H 1 3.477 0.003 A 106 ILE HB H 1 1.786 0.005 A 106 ILE HD1% H 1 0.821 0.006 A 106 ILE HG1x H 1 1.652 0.007 A 106 ILE HG1y H 1 1.652 0.007 A 106 ILE HG2% H 1 0.852 0.005 A 106 ILE C C 13 177.697 0.015 A 106 ILE CA C 13 66.112 0.049 A 106 ILE CB C 13 37.678 0.058 A 106 ILE CD1 C 13 14.472 0.041 A 106 ILE CG1 C 13 28.878 0.000 A 106 ILE CG2 C 13 18.536 0.036 A 106 ILE N N 15 119.583 0.009 A 107 PHE H H 1 8.553 0.003 A 107 PHE HA H 1 4.431 0.007 A 107 PHE HBy H 1 3.169 0.008 A 107 PHE HBx H 1 3.068 0.013 A 107 PHE HDx H 1 6.980 0.007 A 107 PHE HDy H 1 6.980 0.007 A 107 PHE HEx H 1 7.174 0.000 A 107 PHE HEy H 1 7.174 0.000 A 107 PHE C C 13 177.987 0.002 A 107 PHE CA C 13 56.968 0.000 A 107 PHE CB C 13 37.281 0.074 A 107 PHE N N 15 117.768 0.018 A 108 ARG H H 1 7.532 0.003 A 108 ARG HA H 1 4.059 0.002 A 108 ARG HBy H 1 1.883 0.015 A 108 ARG HBx H 1 1.846 0.015 A 108 ARG HDx H 1 3.198 0.000 A 108 ARG HDy H 1 3.198 0.000 A 108 ARG HGy H 1 1.756 0.005 A 108 ARG HGx H 1 1.575 0.000 A 108 ARG C C 13 177.520 0.001 A 108 ARG CA C 13 58.690 0.000 A 108 ARG CB C 13 30.417 0.053 A 108 ARG CD C 13 43.497 0.000 A 108 ARG CG C 13 27.352 0.000 A 108 ARG N N 15 117.370 0.014 A 109 ARG H H 1 7.222 0.003 A 109 ARG HA H 1 3.967 0.003 A 109 ARG HBy H 1 1.459 0.010 A 109 ARG HBx H 1 1.157 0.013 A 109 ARG HDy H 1 3.040 0.004 A 109 ARG HDx H 1 2.842 0.003 A 109 ARG HGy H 1 1.227 0.000 A 109 ARG HGx H 1 0.917 0.004 A 109 ARG C C 13 176.168 0.005 A 109 ARG CA C 13 57.472 0.000 A 109 ARG CB C 13 31.746 0.028 A 109 ARG CD C 13 43.311 0.000 A 109 ARG CG C 13 27.042 0.000 A 109 ARG N N 15 117.482 0.006 A 110 TYR H H 1 8.823 0.003 A 110 TYR HA H 1 5.333 0.009 A 110 TYR HBx H 1 3.043 0.004 A 110 TYR HBy H 1 3.043 0.004 A 110 TYR HDx H 1 7.295 0.007 A 110 TYR HDy H 1 7.295 0.007 A 110 TYR HEx H 1 6.821 0.008 A 110 TYR HEy H 1 6.821 0.008 A 110 TYR C C 13 172.361 0.000 A 110 TYR CB C 13 38.546 0.068 A 110 TYR N N 15 116.126 0.007 A 111 PRO HA H 1 4.441 0.003 A 111 PRO HBy H 1 2.420 0.003 A 111 PRO HBx H 1 2.059 0.005 A 111 PRO HDy H 1 4.029 0.005 A 111 PRO HDx H 1 3.358 0.002 A 111 PRO HGx H 1 2.135 0.002 A 111 PRO C C 13 178.491 0.000 A 111 PRO CA C 13 64.854 0.000 A 111 PRO CB C 13 31.694 0.053 A 111 PRO CD C 13 50.449 0.076 A 111 PRO CG C 13 27.284 0.009 A 112 HIS H H 1 8.274 0.003 A 112 HIS HA H 1 4.549 0.003 A 112 HIS HBy H 1 3.314 0.004 A 112 HIS HBx H 1 2.952 0.006 A 112 HIS HD2 H 1 7.295 0.006 A 112 HIS HE1 H 1 7.432 0.013 A 112 HIS C C 13 176.202 0.042 A 112 HIS CA C 13 58.597 0.000 A 112 HIS CB C 13 29.685 0.036 A 112 HIS N N 15 115.604 0.016 A 113 LEU H H 1 7.609 0.003 A 113 LEU HA H 1 4.228 0.003 A 113 LEU HBy H 1 1.720 0.010 A 113 LEU HBx H 1 1.481 0.009 A 113 LEU HDx% H 1 0.012 0.004 A 113 LEU HDy% H 1 0.557 0.024 A 113 LEU HG H 1 0.488 0.005 A 113 LEU C C 13 175.906 0.009 A 113 LEU CA C 13 54.105 0.000 A 113 LEU CB C 13 41.759 0.042 A 113 LEU CDy C 13 25.756 0.041 A 113 LEU CDx C 13 23.033 0.065 A 113 LEU CG C 13 27.458 0.024 A 113 LEU N N 15 120.646 0.016 A 114 ARG H H 1 7.079 0.042 A 114 ARG C C 13 180.927 0.000 A 114 ARG N N 15 125.478 0.008 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 53 GLN HA A 54 GLU H 1.0 . 3.47 2 2 A 37 LEU H A 37 LEU HBx 1.0 . 4.13 3 2 A 37 LEU H A 37 LEU HBy 1.0 . 4.13 4 3 A 54 GLU H A 54 GLU HBx 1.0 . 4.03 5 4 A 54 GLU H A 54 GLU HBy 1.0 . 4.03 6 5 A 54 GLU H A 54 GLU HGx 1.0 . 4.15 7 5 A 54 GLU H A 54 GLU HGy 1.0 . 4.15 8 6 A 54 GLU H A 53 GLN HGx 1.0 . 4.79 9 6 A 54 GLU H A 53 GLN HGy 1.0 . 4.79 10 7 A 42 GLU H A 43 ASP H 1.0 . 4.76 11 8 A 42 GLU H A 41 SER HBx 1.0 . 5.30 12 8 A 42 GLU H A 41 SER HBy 1.0 . 5.30 13 9 A 42 GLU H A 42 GLU HGx 1.0 . 4.84 14 9 A 42 GLU H A 42 GLU HGy 1.0 . 4.84 15 10 A 43 ASP H A 43 ASP HBy 1.0 . 4.17 16 11 A 43 ASP H A 43 ASP HBx 1.0 . 4.17 17 12 A 43 ASP H A 42 GLU HGx 1.0 . 4.99 18 12 A 43 ASP H A 42 GLU HGy 1.0 . 4.99 19 13 A 43 ASP H A 42 GLU HBy 1.0 . 4.72 20 14 A 43 ASP H A 42 GLU HBx 1.0 . 4.72 21 15 A 43 ASP HA A 44 GLU H 1.0 . 3.27 22 16 A 44 GLU H A 43 ASP HBy 1.0 . 4.63 23 17 A 44 GLU H A 43 ASP HBx 1.0 . 4.63 24 18 A 44 GLU H A 44 GLU HGx 1.0 . 4.27 25 18 A 44 GLU H A 44 GLU HGy 1.0 . 4.27 26 19 A 44 GLU H A 44 GLU HBy 1.0 . 4.08 27 20 A 44 GLU H A 44 GLU HBx 1.0 . 4.08 28 21 A 45 ILE H A 45 ILE HG2% 1.0 . 4.19 29 22 A 45 ILE H A 45 ILE HD1% 1.0 . 5.02 30 23 A 45 ILE H A 45 ILE HG1x 1.0 . 4.12 31 24 A 45 ILE H A 45 ILE HG1y 1.0 . 4.12 32 25 A 45 ILE H A 45 ILE HB 1.0 . 3.51 33 26 A 45 ILE H A 44 GLU HBx 1.0 . 4.66 34 27 A 45 ILE H A 44 GLU HBy 1.0 . 4.66 35 28 A 45 ILE H A 44 GLU HGx 1.0 . 5.06 36 28 A 44 GLU HGy A 45 ILE H 1.0 . 5.06 37 29 A 45 ILE H A 44 GLU HA 1.0 . 3.21 38 30 A 45 ILE H A 42 GLU HA 1.0 . 3.21 39 31 A 45 ILE H A 46 ASN H 1.0 . 4.47 40 32 A 45 ILE HB A 46 ASN H 1.0 . 5.09 41 33 A 47 TYR H A 47 TYR HBx 1.0 . 4.17 42 34 A 47 TYR H A 47 TYR HBy 1.0 . 4.17 43 35 A 47 TYR H A 46 ASN HA 1.0 . 3.56 44 36 A 49 THR H A 49 THR HG2% 1.0 . 4.78 45 37 A 49 THR H A 48 MET HBx 1.0 . 4.79 46 37 A 49 THR H A 48 MET HBy 1.0 . 4.79 47 38 A 49 THR H A 49 THR HB 1.0 . 4.03 48 39 A 51 PRO HA A 52 GLU H 1.0 . 3.19 49 40 A 52 GLU H A 52 GLU HGx 1.0 . 3.91 50 40 A 52 GLU H A 52 GLU HGy 1.0 . 3.91 51 41 A 52 GLU H A 52 GLU HBx 1.0 . 3.91 52 42 A 52 GLU H A 52 GLU HBy 1.0 . 3.91 53 43 A 52 GLU H A 53 GLN H 1.0 . 4.48 54 44 A 53 GLN H A 52 GLU HA 1.0 . 3.40 55 45 A 53 GLN H A 53 GLN HGx 1.0 . 4.33 56 45 A 53 GLN HGy A 53 GLN H 1.0 . 4.33 57 46 A 53 GLN H A 53 GLN HBy 1.0 . 4.18 58 47 A 53 GLN H A 53 GLN HBx 1.0 . 4.18 59 48 A 55 ALA H A 56 GLN H 1.0 . 3.69 60 49 A 54 GLU H A 55 ALA H 1.0 . 4.30 61 50 A 55 ALA H A 54 GLU HGx 1.0 . 4.67 62 50 A 54 GLU HGy A 55 ALA H 1.0 . 4.67 63 51 A 55 ALA H A 54 GLU HBy 1.0 . 4.59 64 52 A 55 ALA H A 54 GLU HBx 1.0 . 4.59 65 53 A 55 ALA H A 55 ALA HB% 1.0 . 3.29 66 54 A 60 LEU H A 61 ALA H 1.0 . 4.58 67 55 A 56 GLN H A 55 ALA HA 1.0 . 3.11 68 56 A 56 GLN H A 57 PRO HBx 1.0 . 4.08 69 56 A 56 GLN H A 57 PRO HBy 1.0 . 4.08 70 57 A 56 GLN H A 56 GLN HBy 1.0 . 4.00 71 58 A 56 GLN H A 56 GLN HBx 1.0 . 4.00 72 59 A 56 GLN H A 55 ALA HB% 1.0 . 3.93 73 60 A 58 GLY H A 59 ALA H 1.0 . 5.09 74 61 A 58 GLY H A 57 PRO HA 1.0 . 3.55 75 62 A 58 GLY H A 57 PRO HGx 1.0 . 4.89 76 62 A 58 GLY H A 57 PRO HGy 1.0 . 4.89 77 63 A 60 LEU H A 59 ALA H 1.0 . 4.31 78 64 A 60 LEU H A 59 ALA HA 1.0 . 3.00 79 65 A 60 LEU H A 60 LEU HBy 1.0 . 3.74 80 66 A 60 LEU H A 60 LEU HBx 1.0 . 3.74 81 67 A 61 ALA H A 61 ALA HA 1.0 . 2.86 82 68 A 61 ALA H A 60 LEU HBx 1.0 . 4.04 83 69 A 61 ALA H A 81 VAL HGx% 1.0 . 4.87 84 70 A 61 ALA HA A 62 ALA H 1.0 . 3.02 85 71 A 62 ALA H A 78 ASP HBy 1.0 . 4.69 86 72 A 62 ALA H A 78 ASP HBx 1.0 . 4.69 87 73 A 62 ALA H A 62 ALA HB% 1.0 . 3.02 88 74 A 63 LEU H A 64 HIS H 1.0 . 5.01 89 75 A 62 ALA H A 63 LEU H 1.0 . 4.71 90 76 A 63 LEU H A 62 ALA HA 1.0 . 2.90 91 77 A 63 LEU H A 63 LEU HG 1.0 . 3.50 92 78 A 63 LEU H A 63 LEU HBx 1.0 . 4.17 93 79 A 63 LEU H A 63 LEU HBy 1.0 . 4.17 94 80 A 63 LEU H A 63 LEU HDx% 1.0 . 4.28 95 81 A 63 LEU H A 63 LEU HDy% 1.0 . 4.28 96 82 A 64 HIS H A 64 HIS HD2 1.0 . 3.93 97 83 A 64 HIS H A 63 LEU HA 1.0 . 3.40 98 84 A 64 HIS H A 70 ALA HA 1.0 . 4.50 99 85 A 64 HIS H A 64 HIS HBy 1.0 . 3.92 100 86 A 64 HIS H A 63 LEU HBy 1.0 . 4.27 101 87 A 64 HIS H A 63 LEU HBx 1.0 . 4.27 102 88 A 64 HIS H A 63 LEU HDx% 1.0 . 4.51 103 89 A 64 HIS H A 63 LEU HDy% 1.0 . 4.51 104 90 A 70 ALA HA A 66 GLU H 1.0 . 4.54 105 91 A 66 GLU H A 64 HIS HBy 1.0 . 4.72 106 92 A 66 GLU H A 64 HIS HBx 1.0 . 4.72 107 93 A 66 GLU H A 66 GLU HBx 1.0 . 3.97 108 93 A 66 GLU H A 66 GLU HBy 1.0 . 3.97 109 94 A 66 GLU H A 66 GLU HGx 1.0 . 3.74 110 94 A 66 GLU H A 66 GLU HGy 1.0 . 3.74 111 95 A 66 GLU H A 65 ALA HB% 1.0 . 3.59 112 96 A 66 GLU H A 70 ALA HB% 1.0 . 4.30 113 97 A 67 GLY H A 66 GLU HGx 1.0 . 5.09 114 97 A 66 GLU HGy A 67 GLY H 1.0 . 5.09 115 98 A 67 GLY H A 66 GLU HBx 1.0 . 5.04 116 98 A 66 GLU HBy A 67 GLY H 1.0 . 5.04 117 99 A 87 TRP H A 88 GLU H 1.0 . 3.50 118 100 A 69 LEU H A 70 ALA H 1.0 . 3.21 119 101 A 88 GLU H A 87 TRP HE3 1.0 . 3.85 120 102 A 88 GLU H A 85 ASN HA 1.0 . 3.94 121 103 A 69 LEU H A 68 PRO HDy 1.0 . 4.54 122 104 A 88 GLU H A 87 TRP HBy 1.0 . 4.01 123 105 A 69 LEU H A 68 PRO HDx 1.0 . 4.54 124 106 A 88 GLU H A 87 TRP HBx 1.0 . 4.01 125 107 A 88 GLU H A 88 GLU HBx 1.0 . 3.50 126 108 A 69 LEU H A 69 LEU HG 1.0 . 3.50 127 109 A 69 LEU H A 69 LEU HBx 1.0 . 4.00 128 110 A 69 LEU H A 69 LEU HDy% 1.0 . 4.00 129 111 A 70 ALA H A 71 GLY H 1.0 . 4.43 130 112 A 70 ALA H A 64 HIS HBx 1.0 . 5.19 131 113 A 70 ALA HB% A 70 ALA H 1.0 . 2.84 132 114 A 70 ALA H A 69 LEU HBx 1.0 . 4.83 133 115 A 70 ALA H A 64 HIS HBy 1.0 . 5.19 134 116 A 64 HIS H A 71 GLY H 1.0 . 4.68 135 117 A 71 GLY H A 65 ALA HA 1.0 . 4.81 136 118 A 71 GLY H A 64 HIS HBy 1.0 . 4.54 137 119 A 71 GLY H A 64 HIS HBx 1.0 . 4.54 138 120 A 71 GLY H A 63 LEU HBy 1.0 . 4.91 139 121 A 71 GLY H A 63 LEU HBx 1.0 . 4.91 140 122 A 64 HIS H A 72 LEU H 1.0 . 4.15 141 123 A 71 GLY H A 72 LEU H 1.0 . 3.67 142 124 A 64 HIS HD2 A 72 LEU H 1.0 . 4.70 143 125 A 70 ALA HA A 72 LEU H 1.0 . 4.05 144 126 A 72 LEU H A 64 HIS HBy 1.0 . 4.60 145 127 A 72 LEU H A 64 HIS HBx 1.0 . 4.60 146 128 A 72 LEU H A 72 LEU HBy 1.0 . 3.76 147 129 A 72 LEU H A 63 LEU HDx% 1.0 . 4.79 148 130 A 72 LEU H A 63 LEU HDy% 1.0 . 4.79 149 131 A 94 GLU H A 94 GLU HGy 1.0 . 4.64 150 132 A 94 GLU H A 94 GLU HGx 1.0 . 4.64 151 133 A 94 GLU H A 95 PRO HDy 1.0 . 4.73 152 134 A 110 TYR H A 110 TYR HBx 1.0 . 3.64 153 134 A 110 TYR H A 110 TYR HBy 1.0 . 3.64 154 135 A 74 VAL H A 75 THR H 1.0 . 3.95 155 136 A 63 LEU HA A 74 VAL H 1.0 . 4.15 156 137 A 74 VAL H A 73 PRO HA 1.0 . 3.32 157 138 A 74 VAL H A 78 ASP HBy 1.0 . 4.53 158 139 A 74 VAL H A 78 ASP HBx 1.0 . 4.53 159 140 A 74 VAL H A 74 VAL HB 1.0 . 3.59 160 141 A 62 ALA HB% A 74 VAL H 1.0 . 4.25 161 142 A 74 VAL H A 74 VAL HGx% 1.0 . 4.18 162 143 A 75 THR H A 78 ASP H 1.0 . 4.16 163 144 A 75 THR H A 78 ASP HBy 1.0 . 4.11 164 145 A 75 THR H A 78 ASP HBx 1.0 . 4.11 165 146 A 75 THR H A 74 VAL HGx% 1.0 . 4.19 166 147 A 75 THR H A 74 VAL HGy% 1.0 . 4.19 167 148 A 75 THR HB A 76 ARG H 1.0 . 5.02 168 149 A 78 ASP H A 77 SER H 1.0 . 3.91 169 150 A 75 THR HB A 77 SER H 1.0 . 3.95 170 151 A 77 SER H A 77 SER HBx 1.0 . 3.75 171 151 A 77 SER H A 77 SER HBy 1.0 . 3.75 172 152 A 77 SER H A 76 ARG HBx 1.0 . 4.55 173 152 A 77 SER H A 76 ARG HBy 1.0 . 4.55 174 153 A 77 SER H A 75 THR HG2% 1.0 . 4.66 175 154 A 78 ASP H A 75 THR HA 1.0 . 4.39 176 155 A 78 ASP H A 75 THR HB 1.0 . 4.63 177 156 A 78 ASP H A 77 SER HBx 1.0 . 3.83 178 156 A 78 ASP H A 77 SER HBy 1.0 . 3.83 179 157 A 78 ASP H A 78 ASP HBx 1.0 . 3.97 180 158 A 78 ASP H A 75 THR HG2% 1.0 . 4.39 181 159 A 75 THR H A 79 ALA H 1.0 . 4.80 182 160 A 78 ASP H A 79 ALA H 1.0 . 3.39 183 161 A 79 ALA H A 76 ARG HA 1.0 . 4.16 184 162 A 79 ALA H A 78 ASP HBx 1.0 . 4.11 185 163 A 79 ALA H A 79 ALA HB% 1.0 . 3.17 186 164 A 79 ALA H A 80 ARG H 1.0 . 3.53 187 165 A 80 ARG H A 81 VAL H 1.0 . 3.56 188 166 A 80 ARG H A 77 SER HA 1.0 . 4.22 189 167 A 80 ARG H A 80 ARG HBx 1.0 . 3.16 190 167 A 80 ARG H A 80 ARG HBy 1.0 . 3.16 191 168 A 80 ARG H A 80 ARG HGx 1.0 . 4.01 192 168 A 80 ARG H A 80 ARG HGy 1.0 . 4.01 193 169 A 79 ALA HB% A 80 ARG H 1.0 . 3.52 194 170 A 81 VAL H A 78 ASP HA 1.0 . 4.33 195 171 A 81 VAL H A 61 ALA HB% 1.0 . 4.40 196 172 A 82 LEU H A 83 ILE H 1.0 . 3.67 197 173 A 81 VAL H A 82 LEU H 1.0 . 3.51 198 174 A 82 LEU H A 79 ALA HA 1.0 . 4.22 199 175 A 82 LEU H A 81 VAL HB 1.0 . 3.59 200 176 A 82 LEU H A 82 LEU HBy 1.0 . 3.79 201 177 A 61 ALA HB% A 82 LEU H 1.0 . 3.86 202 178 A 82 LEU H A 81 VAL HGx% 1.0 . 3.82 203 179 A 83 ILE H A 80 ARG HA 1.0 . 4.19 204 180 A 83 ILE H A 83 ILE HG2% 1.0 . 3.93 205 181 A 84 PHE H A 85 ASN H 1.0 . 3.53 206 182 A 83 ILE H A 84 PHE H 1.0 . 3.65 207 183 A 84 PHE H A 84 PHE HDx 1.0 . 4.65 208 183 A 84 PHE H A 84 PHE HDy 1.0 . 4.65 209 184 A 84 PHE H A 81 VAL HA 1.0 . 4.15 210 185 A 84 PHE H A 84 PHE HBy 1.0 . 3.45 211 186 A 84 PHE H A 83 ILE HB 1.0 . 3.72 212 187 A 85 ASN H A 86 GLU H 1.0 . 3.45 213 188 A 85 ASN H A 84 PHE HDx 1.0 . 4.27 214 188 A 85 ASN H A 84 PHE HDy 1.0 . 4.27 215 189 A 85 ASN H A 82 LEU HA 1.0 . 3.98 216 190 A 85 ASN H A 85 ASN HBy 1.0 . 3.68 217 191 A 85 ASN H A 85 ASN HBx 1.0 . 3.68 218 192 A 86 GLU H A 83 ILE HA 1.0 . 4.32 219 193 A 86 GLU H A 85 ASN HBx 1.0 . 4.11 220 194 A 87 TRP H A 99 LEU HDy% 1.0 . 4.11 221 195 A 87 TRP H A 86 GLU HBx 1.0 . 4.11 222 196 A 87 TRP H A 86 GLU HBy 1.0 . 4.11 223 197 A 86 GLU H A 86 GLU HGx 1.0 . 4.09 224 197 A 86 GLU H A 86 GLU HGy 1.0 . 4.09 225 198 A 87 TRP H A 84 PHE HA 1.0 . 4.28 226 199 A 87 TRP H A 87 TRP HE3 1.0 . 4.58 227 200 A 88 GLU H A 89 GLU H 1.0 . 3.51 228 201 A 89 GLU H A 86 GLU HA 1.0 . 4.34 229 202 A 89 GLU H A 89 GLU HGx 1.0 . 3.65 230 202 A 89 GLU H A 89 GLU HGy 1.0 . 3.65 231 203 A 89 GLU H A 88 GLU HBx 1.0 . 3.81 232 204 A 89 GLU H A 90 ARG H 1.0 . 3.22 233 205 A 90 ARG H A 87 TRP HA 1.0 . 3.91 234 206 A 90 ARG H A 89 GLU HGx 1.0 . 4.10 235 206 A 89 GLU HGy A 90 ARG H 1.0 . 4.10 236 207 A 90 ARG H A 90 ARG HBy 1.0 . 3.77 237 208 A 90 ARG H A 90 ARG HBx 1.0 . 3.77 238 209 A 90 ARG H A 90 ARG HGx 1.0 . 3.26 239 209 A 90 ARG H A 90 ARG HGy 1.0 . 3.26 240 210 A 88 GLU HA A 91 LYS H 1.0 . 4.36 241 211 A 91 LYS H A 90 ARG HBy 1.0 . 4.60 242 212 A 91 LYS H A 90 ARG HBx 1.0 . 4.60 243 213 A 91 LYS H A 90 ARG HGx 1.0 . 3.74 244 213 A 90 ARG HGy A 91 LYS H 1.0 . 3.74 245 214 A 91 LYS H A 92 LYS H 1.0 . 3.57 246 215 A 92 LYS H A 89 GLU HA 1.0 . 4.72 247 216 A 92 LYS H A 92 LYS HBx 1.0 . 3.29 248 216 A 92 LYS H A 92 LYS HBy 1.0 . 3.29 249 217 A 92 LYS H A 92 LYS HGx 1.0 . 3.94 250 217 A 92 LYS H A 92 LYS HGy 1.0 . 3.94 251 218 A 94 GLU H A 93 SER H 1.0 . 3.22 252 219 A 92 LYS H A 93 SER H 1.0 . 3.68 253 220 A 93 SER H A 92 LYS HBx 1.0 . 4.05 254 220 A 92 LYS HBy A 93 SER H 1.0 . 4.05 255 221 A 94 GLU H A 92 LYS H 1.0 . 4.50 256 222 A 94 GLU H A 95 PRO HDx 1.0 . 4.73 257 223 A 94 GLU HA A 96 TRP H 1.0 . 4.35 258 224 A 96 TRP H A 96 TRP HBx 1.0 . 3.44 259 224 A 96 TRP H A 96 TRP HBy 1.0 . 3.44 260 225 A 96 TRP H A 95 PRO HDy 1.0 . 4.66 261 226 A 96 TRP H A 95 PRO HGx 1.0 . 3.82 262 226 A 96 TRP H A 95 PRO HGy 1.0 . 3.82 263 227 A 97 LEU H A 98 ARG H 1.0 . 4.70 264 228 A 96 TRP H A 97 LEU H 1.0 . 3.20 265 229 A 97 LEU H A 95 PRO HA 1.0 . 4.38 266 230 A 97 LEU H A 91 LYS HA 1.0 . 4.55 267 231 A 97 LEU H A 96 TRP HBx 1.0 . 4.47 268 231 A 96 TRP HBy A 97 LEU H 1.0 . 4.47 269 232 A 97 LEU H A 97 LEU HBx 1.0 . 3.69 270 233 A 98 ARG H A 97 LEU HBx 1.0 . 4.76 271 234 A 98 ARG H A 98 ARG HGx 1.0 . 3.96 272 234 A 98 ARG H A 98 ARG HGy 1.0 . 3.96 273 235 A 98 ARG H A 97 LEU HBy 1.0 . 4.76 274 236 A 98 ARG H A 98 ARG HBx 1.0 . 3.22 275 236 A 98 ARG H A 98 ARG HBy 1.0 . 3.22 276 237 A 98 ARG H A 97 LEU HA 1.0 . 3.06 277 238 A 87 TRP HE1 A 99 LEU H 1.0 . 4.22 278 239 A 99 LEU H A 87 TRP HZ2 1.0 . 5.30 279 240 A 99 LEU H A 100 ASP H 1.0 . 5.20 280 241 A 99 LEU H A 98 ARG HA 1.0 . 3.07 281 242 A 99 LEU H A 98 ARG HBx 1.0 . 3.68 282 242 A 98 ARG HBy A 99 LEU H 1.0 . 3.68 283 243 A 99 LEU H A 98 ARG HGx 1.0 . 4.76 284 243 A 98 ARG HGy A 99 LEU H 1.0 . 4.76 285 244 A 99 LEU H A 99 LEU HBx 1.0 . 3.68 286 245 A 100 ASP H A 99 LEU HBx 1.0 . 4.88 287 246 A 83 ILE HG2% A 100 ASP H 1.0 . 4.00 288 247 A 100 ASP H A 100 ASP HBx 1.0 . 4.09 289 248 A 100 ASP H A 100 ASP HBy 1.0 . 4.09 290 249 A 100 ASP H A 99 LEU HA 1.0 . 3.25 291 250 A 100 ASP HA A 101 MET H 1.0 . 3.23 292 251 A 101 MET H A 101 MET HGy 1.0 . 4.46 293 252 A 101 MET H A 101 MET HGx 1.0 . 4.46 294 253 A 101 MET H A 101 MET HBx 1.0 . 4.04 295 253 A 101 MET H A 101 MET HBy 1.0 . 4.04 296 254 A 102 SER H A 105 ALA HB% 1.0 . 3.69 297 255 A 102 SER H A 102 SER HBx 1.0 . 4.04 298 255 A 102 SER H A 102 SER HBy 1.0 . 4.04 299 256 A 101 MET H A 102 SER H 1.0 . 3.41 300 257 A 103 ASP H A 104 LYS H 1.0 . 3.98 301 258 A 103 ASP H A 103 ASP HBy 1.0 . 4.16 302 259 A 103 ASP H A 103 ASP HBx 1.0 . 4.16 303 260 A 104 LYS H A 103 ASP HBx 1.0 . 4.16 304 261 A 104 LYS H A 103 ASP HBy 1.0 . 4.16 305 262 A 104 LYS H A 104 LYS HBy 1.0 . 3.58 306 263 A 104 LYS H A 104 LYS HBx 1.0 . 3.58 307 264 A 105 ALA HB% A 105 ALA H 1.0 . 3.05 308 265 A 105 ALA H A 104 LYS HBy 1.0 . 3.89 309 266 A 104 LYS H A 105 ALA H 1.0 . 3.60 310 267 A 105 ALA H A 106 ILE H 1.0 . 3.38 311 268 A 106 ILE H A 107 PHE H 1.0 . 3.52 312 269 A 106 ILE H A 103 ASP HA 1.0 . 4.04 313 270 A 106 ILE H A 106 ILE HB 1.0 . 3.36 314 271 A 106 ILE H A 106 ILE HG1x 1.0 . 3.50 315 271 A 106 ILE H A 106 ILE HG1y 1.0 . 3.50 316 272 A 107 PHE H A 106 ILE HG1x 1.0 . 4.49 317 272 A 107 PHE H A 106 ILE HG1y 1.0 . 4.49 318 273 A 107 PHE H A 104 LYS HA 1.0 . 4.06 319 274 A 107 PHE H A 108 ARG H 1.0 . 3.47 320 275 A 108 ARG H A 105 ALA HA 1.0 . 3.97 321 276 A 106 ILE HA A 109 ARG H 1.0 . 4.70 322 277 A 108 ARG H A 109 ARG H 1.0 . 3.32 323 278 A 110 TYR H A 109 ARG H 1.0 . 3.19 324 279 A 110 TYR H A 107 PHE HA 1.0 . 4.29 325 280 A 112 HIS H A 112 HIS HBy 1.0 . 3.69 326 281 A 112 HIS H A 113 LEU H 1.0 . 3.41 327 282 A 113 LEU H A 114 ARG H 1.0 . 3.25 328 283 A 87 TRP HE1 A 99 LEU HA 1.0 . 4.89 329 284 A 87 TRP HE1 A 97 LEU HBy 1.0 . 4.54 330 285 A 87 TRP HE1 A 99 LEU HBx 1.0 . 4.76 331 286 A 87 TRP HE1 A 98 ARG HA 1.0 . 3.92 332 287 A 87 TRP HE1 A 98 ARG HBx 1.0 . 4.78 333 287 A 98 ARG HBy A 87 TRP HE1 1.0 . 4.78 334 288 A 87 TRP HE1 A 97 LEU HBx 1.0 . 4.54 335 289 A 87 TRP HE1 A 99 LEU HBy 1.0 . 4.36 336 290 A 99 LEU HDy% A 87 TRP HE1 1.0 . 4.83 337 291 A 87 TRP HE1 A 99 LEU HG 1.0 . 4.44 338 292 A 87 TRP HA A 87 TRP HE1 1.0 . 5.31 339 293 A 70 ALA H A 69 LEU HBy 1.0 . 4.83 340 294 A 87 TRP H A 87 TRP HD1 1.0 . 5.28 341 295 A 97 LEU H A 87 TRP HE1 1.0 . 5.09 342 296 A 64 HIS H A 64 HIS HBx 1.0 . 3.92 343 297 A 78 ASP HA A 81 VAL HB 1.0 . 3.19 344 298 A 81 VAL H A 81 VAL HB 1.0 . 3.33 345 299 A 61 ALA HB% A 81 VAL HB 1.0 . 3.17 346 300 A 61 ALA HB% A 81 VAL HGx% 1.0 . 3.41 347 301 A 82 LEU H A 82 LEU HBx 1.0 . 3.79 348 302 A 83 ILE H A 83 ILE HB 1.0 . 3.32 349 303 A 85 ASN H A 84 PHE HBy 1.0 . 3.83 350 304 A 85 ASN H A 84 PHE HBx 1.0 . 3.83 351 305 A 84 PHE H A 84 PHE HBx 1.0 . 3.45 352 306 A 81 VAL HA A 84 PHE HBy 1.0 . 4.21 353 307 A 76 ARG HA A 79 ALA HB% 1.0 . 3.48 354 308 A 79 ALA HB% A 110 TYR HE% 1.0 . 4.17 355 309 A 79 ALA HB% A 110 TYR HD% 1.0 . 3.77 356 310 A 79 ALA HB% A 112 HIS HE1 1.0 . 4.23 357 311 A 79 ALA HB% A 113 LEU HG 1.0 . 2.97 358 312 A 81 VAL H A 80 ARG HBx 1.0 . 3.84 359 312 A 81 VAL H A 80 ARG HBy 1.0 . 3.84 360 313 A 78 ASP H A 78 ASP HBy 1.0 . 3.97 361 314 A 79 ALA H A 78 ASP HBy 1.0 . 4.11 362 315 A 86 GLU H A 85 ASN HBy 1.0 . 4.11 363 316 A 82 LEU HA A 85 ASN HBy 1.0 . 4.35 364 317 A 82 LEU HA A 85 ASN HBx 1.0 . 4.35 365 318 A 86 GLU H A 86 GLU HBy 1.0 . 3.72 366 319 A 86 GLU H A 86 GLU HBx 1.0 . 3.72 367 320 A 87 TRP H A 87 TRP HBy 1.0 . 3.38 368 321 A 87 TRP H A 87 TRP HBx 1.0 . 3.38 369 322 A 84 PHE HA A 87 TRP HBy 1.0 . 4.53 370 323 A 84 PHE HA A 87 TRP HBx 1.0 . 4.53 371 324 A 99 LEU HDy% A 87 TRP HBy 1.0 . 3.52 372 325 A 85 ASN HA A 88 GLU HBy 1.0 . 4.31 373 326 A 85 ASN HA A 88 GLU HBx 1.0 . 4.31 374 327 A 87 TRP HE3 A 88 GLU HBy 1.0 . 5.01 375 328 A 87 TRP HE3 A 88 GLU HBx 1.0 . 5.01 376 329 A 89 GLU H A 88 GLU HBy 1.0 . 3.81 377 330 A 88 GLU H A 88 GLU HBy 1.0 . 3.50 378 331 A 89 GLU H A 89 GLU HBx 1.0 . 3.04 379 331 A 89 GLU H A 89 GLU HBy 1.0 . 3.04 380 332 A 90 ARG H A 89 GLU HBx 1.0 . 3.49 381 332 A 90 ARG H A 89 GLU HBy 1.0 . 3.49 382 333 A 91 LYS H A 91 LYS HBy 1.0 . 4.10 383 334 A 91 LYS H A 91 LYS HBx 1.0 . 4.10 384 335 A 110 TYR HBy A 113 LEU HDx% 1.0 . 4.46 385 335 A 113 LEU HDx% A 110 TYR HBx 1.0 . 4.46 386 336 A 113 LEU H A 113 LEU HDx% 1.0 . 4.18 387 337 A 70 ALA HA A 64 HIS HBy 1.0 . 4.19 388 338 A 70 ALA HA A 64 HIS HBx 1.0 . 4.19 389 339 A 88 GLU HA A 88 GLU HGy 1.0 . 4.12 390 340 A 99 LEU HA A 99 LEU HDx% 1.0 . 3.77 391 341 A 96 TRP HD1 A 96 TRP HBx 1.0 . 3.58 392 341 A 96 TRP HBy A 96 TRP HD1 1.0 . 3.58 393 342 A 105 ALA HB% A 106 ILE H 1.0 . 3.51 394 343 A 103 ASP HA A 106 ILE HB 1.0 . 3.92 395 344 A 107 PHE H A 106 ILE HB 1.0 . 3.52 396 345 A 104 LYS HA A 107 PHE HBy 1.0 . 4.77 397 346 A 104 LYS HA A 107 PHE HBx 1.0 . 4.77 398 347 A 108 ARG H A 107 PHE HBy 1.0 . 4.03 399 348 A 108 ARG H A 107 PHE HBx 1.0 . 4.03 400 349 A 107 PHE H A 107 PHE HBy 1.0 . 3.81 401 350 A 107 PHE H A 107 PHE HBx 1.0 . 3.81 402 351 A 109 ARG H A 108 ARG HBy 1.0 . 4.22 403 352 A 109 ARG H A 108 ARG HBx 1.0 . 4.22 404 353 A 108 ARG H A 108 ARG HBy 1.0 . 3.72 405 354 A 108 ARG H A 108 ARG HBx 1.0 . 3.72 406 355 A 105 ALA HA A 108 ARG HBx 1.0 . 4.16 407 356 A 109 ARG H A 109 ARG HBy 1.0 . 3.96 408 357 A 109 ARG H A 109 ARG HBx 1.0 . 3.96 409 358 A 110 TYR H A 109 ARG HBy 1.0 . 4.49 410 359 A 110 TYR H A 109 ARG HBx 1.0 . 4.49 411 360 A 110 TYR HBx A 113 LEU HDy% 1.0 . 4.46 412 360 A 110 TYR HBy A 113 LEU HDy% 1.0 . 4.46 413 361 A 110 TYR HD% A 113 LEU HDx% 1.0 . 5.20 414 362 A 112 HIS HE1 A 113 LEU HDx% 1.0 . 5.30 415 363 A 110 TYR HD% A 113 LEU HDy% 1.0 . 5.20 416 364 A 113 LEU H A 113 LEU HDy% 1.0 . 4.18 417 365 A 81 VAL HA A 81 VAL HGx% 1.0 . 3.40 418 366 A 81 VAL H A 81 VAL HGx% 1.0 . 3.94 419 367 A 59 ALA HB% A 81 VAL HGx% 1.0 . 3.51 420 368 A 81 VAL HA A 81 VAL HGy% 1.0 . 3.40 421 369 A 59 ALA HB% A 81 VAL HGy% 1.0 . 3.51 422 370 A 61 ALA HB% A 81 VAL HGy% 1.0 . 3.41 423 371 A 81 VAL H A 81 VAL HGy% 1.0 . 3.94 424 372 A 82 LEU H A 81 VAL HGy% 1.0 . 3.82 425 373 A 61 ALA H A 81 VAL HGy% 1.0 . 4.87 426 374 A 74 VAL H A 74 VAL HGy% 1.0 . 4.18 427 375 A 74 VAL HA A 74 VAL HGx% 1.0 . 3.30 428 376 A 61 ALA HB% A 78 ASP HBx 1.0 . 4.16 429 377 A 61 ALA HB% A 78 ASP HBy 1.0 . 4.16 430 378 A 78 ASP HA A 61 ALA HB% 1.0 . 3.67 431 379 A 62 ALA H A 61 ALA HB% 1.0 . 3.52 432 380 A 61 ALA H A 61 ALA HB% 1.0 . 3.10 433 381 A 62 ALA HB% A 63 LEU H 1.0 . 3.54 434 382 A 69 LEU H A 69 LEU HDx% 1.0 . 4.00 435 383 A 69 LEU HA A 69 LEU HDx% 1.0 . 4.27 436 384 A 69 LEU HDx% A 112 HIS HBx 1.0 . 4.39 437 385 A 69 LEU HBy A 69 LEU HDx% 1.0 . 3.61 438 386 A 69 LEU HDx% A 69 LEU HBx 1.0 . 3.61 439 387 A 69 LEU HBy A 69 LEU HDy% 1.0 . 3.61 440 388 A 69 LEU HBx A 69 LEU HDy% 1.0 . 3.61 441 389 A 69 LEU HDy% A 112 HIS HBx 1.0 . 4.39 442 390 A 112 HIS HBy A 69 LEU HDy% 1.0 . 4.39 443 391 A 69 LEU HA A 69 LEU HDy% 1.0 . 4.27 444 392 A 106 ILE HB A 106 ILE HD1% 1.0 . 3.41 445 393 A 79 ALA HB% A 106 ILE HD1% 1.0 . 3.59 446 394 A 105 ALA HB% A 106 ILE HD1% 1.0 . 4.09 447 395 A 106 ILE HA A 106 ILE HD1% 1.0 . 3.91 448 396 A 103 ASP HA A 106 ILE HD1% 1.0 . 3.46 449 397 A 105 ALA HA A 106 ILE HD1% 1.0 . 4.12 450 398 A 106 ILE H A 106 ILE HD1% 1.0 . 3.82 451 399 A 83 ILE HD1% A 106 ILE HG1x 1.0 . 3.85 452 399 A 106 ILE HG1y A 83 ILE HD1% 1.0 . 3.85 453 400 A 79 ALA HB% A 83 ILE HD1% 1.0 . 3.83 454 401 A 83 ILE HB A 83 ILE HD1% 1.0 . 3.36 455 402 A 83 ILE HD1% A 109 ARG HDx 1.0 . 4.37 456 403 A 83 ILE HD1% A 109 ARG HDy 1.0 . 4.37 457 404 A 106 ILE HA A 83 ILE HD1% 1.0 . 3.61 458 405 A 80 ARG HA A 83 ILE HD1% 1.0 . 3.75 459 406 A 83 ILE HA A 83 ILE HD1% 1.0 . 3.81 460 407 A 83 ILE HD1% A 101 MET HA 1.0 . 3.86 461 408 A 112 HIS H A 112 HIS HBx 1.0 . 3.69 462 409 A 69 LEU HDx% A 112 HIS HBy 1.0 . 4.39 463 410 A 59 ALA H A 59 ALA HB% 1.0 . 3.46 464 411 A 60 LEU H A 59 ALA HB% 1.0 . 3.48 465 412 A 65 ALA HB% A 66 GLU HGx 1.0 . 3.56 466 412 A 66 GLU HGy A 65 ALA HB% 1.0 . 3.56 467 413 A 105 ALA H A 104 LYS HBx 1.0 . 3.89 468 414 A 110 TYR HA A 111 PRO HDx 1.0 . 3.82 469 415 A 110 TYR HA A 111 PRO HDy 1.0 . 3.82 470 416 A 73 PRO HDy A 72 LEU HBx 1.0 . 4.96 471 417 A 82 LEU HDy% A 73 PRO HDy 1.0 . 4.24 472 418 A 94 GLU HA A 95 PRO HDy 1.0 . 3.56 473 419 A 72 LEU HA A 73 PRO HDx 1.0 . 3.92 474 420 A 72 LEU HA A 73 PRO HDy 1.0 . 3.92 475 421 A 112 HIS HE1 A 73 PRO HDy 1.0 . 4.72 476 422 A 112 HIS HE1 A 73 PRO HGy 1.0 . 4.76 477 423 A 99 LEU H A 99 LEU HBy 1.0 . 3.40 478 424 A 99 LEU HDy% A 99 LEU HBy 1.0 . 4.01 479 425 A 87 TRP HE3 A 99 LEU HG 1.0 . 3.94 480 426 A 99 LEU HG A 87 TRP HZ3 1.0 . 3.52 481 427 A 87 TRP HZ2 A 99 LEU HG 1.0 . 3.76 482 428 A 99 LEU HG A 101 MET HE% 1.0 . 2.92 483 429 A 99 LEU HDy% A 99 LEU HBx 1.0 . 3.37 484 430 A 99 LEU HDy% A 87 TRP HBx 1.0 . 3.52 485 431 A 99 LEU HDy% A 99 LEU HA 1.0 . 3.10 486 432 A 99 LEU HDy% A 84 PHE HA 1.0 . 3.25 487 433 A 99 LEU HDy% A 87 TRP HZ3 1.0 . 3.70 488 434 A 99 LEU HDy% A 100 ASP H 1.0 . 3.60 489 435 A 99 LEU HDy% A 99 LEU H 1.0 . 4.39 490 436 A 84 PHE H A 99 LEU HDy% 1.0 . 4.18 491 437 A 99 LEU HDx% A 101 MET HE% 1.0 . 3.34 492 438 A 99 LEU HDy% A 101 MET HE% 1.0 . 3.34 493 439 A 101 MET HE% A 84 PHE HBx 1.0 . 3.66 494 440 A 101 MET HE% A 84 PHE HBy 1.0 . 3.66 495 441 A 101 MET HE% A 84 PHE HDx 1.0 . 3.76 496 442 A 101 MET HE% A 84 PHE HEx 1.0 . 3.86 497 443 A 96 TRP H A 95 PRO HDx 1.0 . 4.66 498 444 A 112 HIS HE1 A 73 PRO HDx 1.0 . 4.72 499 445 A 83 ILE HG2% A 99 LEU HDy% 1.0 . 3.26 500 446 A 83 ILE HG2% A 99 LEU HG 1.0 . 4.39 501 447 A 83 ILE HG2% A 101 MET HGy 1.0 . 3.83 502 448 A 83 ILE HG2% A 83 ILE HG1y 1.0 . 3.88 503 449 A 80 ARG HA A 83 ILE HG2% 1.0 . 4.53 504 450 A 83 ILE HG2% A 101 MET HA 1.0 . 3.72 505 451 A 83 ILE HG2% A 84 PHE H 1.0 . 3.87 506 452 A 83 ILE H A 83 ILE HD1% 1.0 . 3.83 507 453 A 83 ILE H A 83 ILE HG1x 1.0 . 4.46 508 454 A 82 LEU H A 82 LEU HDx% 1.0 . 3.76 509 455 A 82 LEU HA A 82 LEU HDx% 1.0 . 3.00 510 456 A 82 LEU HDx% A 82 LEU HBy 1.0 . 3.71 511 457 A 82 LEU HDx% A 82 LEU HBx 1.0 . 3.71 512 458 A 61 ALA HB% A 82 LEU HDx% 1.0 . 3.14 513 459 A 82 LEU HDy% A 82 LEU HBx 1.0 . 3.30 514 460 A 82 LEU HDy% A 82 LEU HBy 1.0 . 3.30 515 461 A 61 ALA HB% A 82 LEU HDy% 1.0 . 3.54 516 462 A 82 LEU HDy% A 73 PRO HDx 1.0 . 4.24 517 463 A 79 ALA HA A 82 LEU HDy% 1.0 . 3.55 518 464 A 82 LEU HA A 82 LEU HDy% 1.0 . 4.09 519 465 A 73 PRO HA A 82 LEU HDy% 1.0 . 4.19 520 466 A 82 LEU H A 82 LEU HDy% 1.0 . 3.73 521 467 A 61 ALA HB% A 82 LEU HG 1.0 . 4.20 522 468 A 82 LEU H A 82 LEU HG 1.0 . 3.98 523 469 A 75 THR H A 75 THR HG2% 1.0 . 3.60 524 470 A 75 THR HG2% A 75 THR HA 1.0 . 3.16 525 471 A 106 ILE HA A 106 ILE HG1x 1.0 . 4.06 526 471 A 106 ILE HG1y A 106 ILE HA 1.0 . 4.06 527 472 A 74 VAL HA A 74 VAL HGy% 1.0 . 3.30 528 473 A 79 ALA HA A 73 PRO HBy 1.0 . 4.59 529 474 A 79 ALA HA A 73 PRO HBx 1.0 . 4.59 530 475 A 105 ALA HA A 108 ARG HBy 1.0 . 4.16 531 476 A 97 LEU HA A 97 LEU HDx% 1.0 . 3.85 532 477 A 97 LEU HA A 97 LEU HDy% 1.0 . 3.85 533 478 A 105 ALA H A 106 ILE HD1% 1.0 . 4.75 534 479 A 113 LEU HG A 106 ILE HG2% 1.0 . 3.13 535 480 A 79 ALA HB% A 106 ILE HG2% 1.0 . 2.90 536 481 A 106 ILE HG2% A 106 ILE HG1x 1.0 . 3.58 537 481 A 106 ILE HG1y A 106 ILE HG2% 1.0 . 3.58 538 482 A 106 ILE HG2% A 110 TYR HBx 1.0 . 3.74 539 482 A 110 TYR HBy A 106 ILE HG2% 1.0 . 3.74 540 483 A 106 ILE HA A 106 ILE HG2% 1.0 . 3.50 541 484 A 106 ILE HG2% A 107 PHE HD% 1.0 . 4.02 542 485 A 110 TYR HD% A 106 ILE HG2% 1.0 . 3.83 543 486 A 106 ILE H A 106 ILE HG2% 1.0 . 4.05 544 487 A 113 LEU HG A 110 TYR HBx 1.0 . 3.42 545 487 A 110 TYR HBy A 113 LEU HG 1.0 . 3.42 546 488 A 79 ALA H A 113 LEU HG 1.0 . 4.46 547 489 A 113 LEU H A 113 LEU HG 1.0 . 4.26 548 490 A 110 TYR HD% A 113 LEU HG 1.0 . 4.12 549 491 A 113 LEU H A 113 LEU HBy 1.0 . 3.94 550 492 A 113 LEU H A 113 LEU HBx 1.0 . 3.94 551 493 A 106 ILE HG2% A 113 LEU HBy 1.0 . 4.69 552 494 A 97 LEU H A 97 LEU HG 1.0 . 4.30 553 495 A 97 LEU H A 97 LEU HBy 1.0 . 3.69 554 496 A 87 TRP HD1 A 97 LEU HBy 1.0 . 4.27 555 497 A 83 ILE HA A 83 ILE HG1x 1.0 . 4.07 556 498 A 83 ILE HG2% A 83 ILE HA 1.0 . 3.33 557 499 A 94 GLU H A 94 GLU HBy 1.0 . 4.08 558 500 A 94 GLU H A 94 GLU HBx 1.0 . 4.08 559 501 A 94 GLU HA A 94 GLU HGx 1.0 . 4.13 560 502 A 94 GLU HA A 96 TRP HZ3 1.0 . 4.76 561 503 A 94 GLU HA A 95 PRO HDx 1.0 . 3.56 562 504 A 94 GLU HA A 94 GLU HGy 1.0 . 4.13 563 505 A 83 ILE HG2% A 83 ILE HG1x 1.0 . 3.88 564 506 A 83 ILE HA A 83 ILE HG1y 1.0 . 4.07 565 507 A 83 ILE H A 83 ILE HG1y 1.0 . 4.46 566 508 A 72 LEU H A 72 LEU HG 1.0 . 3.60 567 509 A 72 LEU H A 72 LEU HBx 1.0 . 3.76 568 510 A 112 HIS HE1 A 72 LEU HBx 1.0 . 4.72 569 511 A 72 LEU HBx A 73 PRO HDx 1.0 . 4.96 570 512 A 72 LEU HBy A 73 PRO HDy 1.0 . 4.96 571 513 A 72 LEU HBy A 73 PRO HDx 1.0 . 4.96 572 514 A 112 HIS HE1 A 72 LEU HBy 1.0 . 4.72 573 515 A 75 THR H A 74 VAL HB 1.0 . 3.74 574 516 A 74 VAL HB A 75 THR HG2% 1.0 . 3.85 575 517 A 88 GLU HA A 88 GLU HGx 1.0 . 4.12 576 518 A 99 LEU HDy% A 101 MET HGy 1.0 . 4.39 577 519 A 99 LEU HDy% A 101 MET HGx 1.0 . 4.39 578 520 A 61 ALA H A 60 LEU HBy 1.0 . 4.04 579 521 A 95 PRO HA A 91 LYS HA 1.0 . 4.18 580 522 A 81 VAL HA A 84 PHE HBx 1.0 . 4.21 581 523 A 76 ARG HA A 113 LEU HG 1.0 . 3.38 582 524 A 76 ARG HA A 106 ILE HG2% 1.0 . 4.31 583 525 A 90 ARG HA A 90 ARG HGx 1.0 . 3.64 584 525 A 90 ARG HGy A 90 ARG HA 1.0 . 3.64 585 526 A 80 ARG HA A 80 ARG HGx 1.0 . 4.25 586 526 A 80 ARG HGy A 80 ARG HA 1.0 . 4.25 587 527 A 80 ARG HA A 83 ILE HB 1.0 . 4.09 588 528 A 83 ILE HG2% A 101 MET HGx 1.0 . 3.83 589 529 A 106 ILE HG2% A 113 LEU HBx 1.0 . 4.69 590 530 A 70 ALA HB% A 66 GLU HA 1.0 . 3.41 591 531 A 70 ALA HB% A 71 GLY H 1.0 . 3.67 592 532 A 70 ALA HA A 71 GLY H 1.0 . 3.11 593 533 A 69 LEU H A 69 LEU HBy 1.0 . 4.00 594 534 A 64 HIS HD2 A 69 LEU HDx% 1.0 . 4.54 595 535 A 64 HIS HD2 A 69 LEU HBy 1.0 . 3.98 596 536 A 64 HIS HD2 A 69 LEU HBx 1.0 . 3.98 597 537 A 112 HIS HE1 A 73 PRO HGx 1.0 . 4.76 598 538 A 113 LEU H A 110 TYR HBx 1.0 . 4.70 599 538 A 110 TYR HBy A 113 LEU H 1.0 . 4.70 600 539 A 112 HIS HE1 A 113 LEU HDy% 1.0 . 5.30 601 540 A 94 GLU HA A 96 TRP HE3 1.0 . 5.22 602 541 A 80 ARG HA A 101 MET HA 1.0 . 5.50 603 542 A 64 HIS HD2 A 64 HIS HA 1.0 . 4.70 604 543 A 64 HIS HD2 A 74 VAL HA 1.0 . 3.71 605 544 A 64 HIS HD2 A 72 LEU HBy 1.0 . 4.30 606 545 A 64 HIS HD2 A 72 LEU HBx 1.0 . 4.30 607 546 A 64 HIS HD2 A 69 LEU HDy% 1.0 . 4.54 608 547 A 99 LEU HBx A 87 TRP HD1 1.0 . 4.98 609 548 A 99 LEU HDy% A 87 TRP HD1 1.0 . 4.28 610 549 A 87 TRP HD1 A 97 LEU HDy% 1.0 . 3.87 611 550 A 87 TRP HD1 A 97 LEU HDx% 1.0 . 3.87 612 551 A 87 TRP HD1 A 97 LEU HBx 1.0 . 4.27 613 552 A 87 TRP HD1 A 97 LEU HG 1.0 . 3.36 614 553 A 99 LEU HA A 87 TRP HD1 1.0 . 3.92 615 554 A 87 TRP HA A 87 TRP HD1 1.0 . 3.55 616 555 A 110 TYR HE% A 83 ILE HD1% 1.0 . 4.78 617 556 A 112 HIS HE1 A 110 TYR HA 1.0 . 4.45 618 557 A 110 TYR HD% A 110 TYR HA 1.0 . 4.50 619 558 A 84 PHE HA A 84 PHE HDx 1.0 . 3.84 620 558 A 84 PHE HA A 84 PHE HDy 1.0 . 3.84 621 559 A 85 ASN HA A 84 PHE HDx 1.0 . 4.36 622 559 A 85 ASN HA A 84 PHE HDy 1.0 . 4.36 623 560 A 87 TRP HE3 A 84 PHE HEx 1.0 . 4.06 624 561 A 110 TYR HD% A 83 ILE HD1% 1.0 . 4.27 625 562 A 110 TYR HD% A 112 HIS HE1 1.0 . 3.94 626 563 A 104 LYS HA A 107 PHE HD% 1.0 . 3.79 627 564 A 107 PHE HA A 107 PHE HD% 1.0 . 3.16 628 565 A 107 PHE HE% A 103 ASP HBy 1.0 . 4.39 629 566 A 107 PHE HE% A 103 ASP HBx 1.0 . 4.39 630 567 A 96 TRP HE3 A 96 TRP HBx 1.0 . 3.70 631 567 A 96 TRP HBy A 96 TRP HE3 1.0 . 3.70 632 568 A 74 VAL HA A 64 HIS HE1 1.0 . 4.24 633 569 A 64 HIS HE1 A 74 VAL HGx% 1.0 . 3.98 634 570 A 64 HIS HE1 A 74 VAL HGy% 1.0 . 3.98 635 571 A 99 LEU HBx A 87 TRP HH2 1.0 . 5.21 636 572 A 99 LEU HG A 84 PHE HDx 1.0 . 3.52 637 572 A 99 LEU HG A 84 PHE HDy 1.0 . 3.52 638 573 A 112 HIS HE1 A 113 LEU HG 1.0 . 4.01 639 574 A 96 TRP HE3 A 96 TRP HA 1.0 . 4.60 640 575 A 94 GLU HA A 96 TRP HH2 1.0 . 4.85 641 576 A 94 GLU HA A 96 TRP HZ2 1.0 . 4.74 642 577 A 96 TRP HZ2 A 94 GLU HGy 1.0 . 4.61 643 578 A 96 TRP HZ2 A 94 GLU HGx 1.0 . 4.61 644 579 A 97 LEU HA A 96 TRP HD1 1.0 . 3.54 645 580 A 96 TRP HD1 A 96 TRP HA 1.0 . 4.47 646 581 A 87 TRP HE3 A 87 TRP HBy 1.0 . 4.00 647 582 A 87 TRP HE3 A 87 TRP HBx 1.0 . 4.00 648 583 A 87 TRP HE3 A 88 GLU HA 1.0 . 3.97 649 584 A 87 TRP HE3 A 88 GLU HGy 1.0 . 4.31 650 585 A 87 TRP HE3 A 88 GLU HGx 1.0 . 4.31 651 586 A 87 TRP HE3 A 84 PHE HA 1.0 . 4.25 652 587 A 87 TRP HE3 A 84 PHE HEx 1.0 . 3.62 653 587 A 87 TRP HE3 A 84 PHE HEy 1.0 . 3.62 654 588 A 87 TRP HE3 A 84 PHE HDx 1.0 . 4.03 655 588 A 87 TRP HE3 A 84 PHE HDy 1.0 . 4.03 656 589 A 87 TRP HE3 A 99 LEU HDy% 1.0 . 3.86 657 590 A 99 LEU HG A 84 PHE HEx 1.0 . 3.89 658 590 A 99 LEU HG A 84 PHE HEy 1.0 . 3.89 659 591 A 87 TRP HE3 A 99 LEU HBx 1.0 . 5.36 660 592 A 112 HIS HE1 A 110 TYR HBx 1.0 . 3.85 661 592 A 110 TYR HBy A 112 HIS HE1 1.0 . 3.85 662 593 A 112 HIS HD2 A 112 HIS HBx 1.0 . 3.89 663 594 A 112 HIS HD2 A 112 HIS HBy 1.0 . 3.89 664 595 A 63 LEU HA A 73 PRO HA 1.0 . 3.50 665 596 A 43 ASP H A 43 ASP HBx 1.0 . 3.46 666 596 A 43 ASP H A 43 ASP HBy 1.0 . 3.46 667 597 A 44 GLU H A 44 GLU HBx 1.0 . 3.45 668 597 A 44 GLU H A 44 GLU HBy 1.0 . 3.45 669 598 A 47 TYR H A 47 TYR HBx 1.0 . 3.64 670 598 A 47 TYR H A 47 TYR HBy 1.0 . 3.64 671 599 A 52 GLU H A 52 GLU HBx 1.0 . 3.36 672 599 A 52 GLU H A 52 GLU HBy 1.0 . 3.36 673 600 A 53 GLN H A 53 GLN HBx 1.0 . 3.48 674 600 A 53 GLN H A 53 GLN HBy 1.0 . 3.48 675 601 A 54 GLU H A 54 GLU HBx 1.0 . 3.48 676 601 A 54 GLU H A 54 GLU HBy 1.0 . 3.48 677 602 A 55 ALA H A 54 GLU HBx 1.0 . 3.91 678 602 A 55 ALA H A 54 GLU HBy 1.0 . 3.91 679 603 A 56 GLN H A 56 GLN HBx 1.0 . 3.43 680 603 A 56 GLN H A 56 GLN HBy 1.0 . 3.43 681 604 A 56 GLN H A 57 PRO HDy 1.0 . 4.94 682 604 A 56 GLN H A 57 PRO HDx 1.0 . 4.94 683 605 A 59 ALA HB% A 60 LEU HDx% 1.0 . 3.78 684 605 A 59 ALA HB% A 60 LEU HDy% 1.0 . 3.78 685 606 A 60 LEU H A 60 LEU HBx 1.0 . 3.07 686 606 A 60 LEU H A 60 LEU HBy 1.0 . 3.07 687 607 A 60 LEU H A 60 LEU HDx% 1.0 . 4.15 688 607 A 60 LEU H A 60 LEU HDy% 1.0 . 4.15 689 608 A 60 LEU H A 81 VAL HGy% 1.0 . 4.75 690 608 A 60 LEU H A 81 VAL HGx% 1.0 . 4.75 691 609 A 60 LEU HA A 60 LEU HDx% 1.0 . 3.17 692 609 A 60 LEU HDy% A 60 LEU HA 1.0 . 3.17 693 610 A 60 LEU HA A 81 VAL HGy% 1.0 . 3.90 694 610 A 81 VAL HGx% A 60 LEU HA 1.0 . 3.90 695 611 A 60 LEU HBy A 60 LEU HDx% 1.0 . 2.83 696 611 A 60 LEU HBx A 60 LEU HDx% 1.0 . 2.83 697 611 A 60 LEU HDy% A 60 LEU HBx 1.0 . 2.83 698 611 A 60 LEU HDy% A 60 LEU HBy 1.0 . 2.83 699 612 A 61 ALA H A 60 LEU HDx% 1.0 . 3.51 700 612 A 61 ALA H A 60 LEU HDy% 1.0 . 3.51 701 613 A 61 ALA H A 81 VAL HGy% 1.0 . 3.73 702 613 A 61 ALA H A 81 VAL HGx% 1.0 . 3.73 703 614 A 61 ALA HA A 81 VAL HGy% 1.0 . 3.74 704 614 A 61 ALA HA A 81 VAL HGx% 1.0 . 3.74 705 615 A 61 ALA HB% A 78 ASP HBx 1.0 . 3.36 706 615 A 61 ALA HB% A 78 ASP HBy 1.0 . 3.36 707 616 A 61 ALA HB% A 81 VAL HGy% 1.0 . 2.67 708 616 A 61 ALA HB% A 81 VAL HGx% 1.0 . 2.67 709 617 A 62 ALA H A 74 VAL HGy% 1.0 . 4.47 710 617 A 62 ALA H A 74 VAL HGx% 1.0 . 4.47 711 618 A 62 ALA H A 78 ASP HBx 1.0 . 3.85 712 618 A 62 ALA H A 78 ASP HBy 1.0 . 3.85 713 619 A 62 ALA HB% A 74 VAL HGy% 1.0 . 3.14 714 619 A 62 ALA HB% A 74 VAL HGx% 1.0 . 3.14 715 620 A 63 LEU H A 63 LEU HBx 1.0 . 3.45 716 620 A 63 LEU H A 63 LEU HBy 1.0 . 3.45 717 621 A 63 LEU H A 74 VAL HGy% 1.0 . 4.53 718 621 A 63 LEU H A 74 VAL HGx% 1.0 . 4.53 719 622 A 63 LEU HA A 63 LEU HDy% 1.0 . 3.25 720 622 A 63 LEU HA A 63 LEU HDx% 1.0 . 3.25 721 623 A 63 LEU HA A 74 VAL HGy% 1.0 . 3.76 722 623 A 63 LEU HA A 74 VAL HGx% 1.0 . 3.76 723 624 A 64 HIS H A 63 LEU HBx 1.0 . 3.59 724 624 A 64 HIS H A 63 LEU HBy 1.0 . 3.59 725 625 A 71 GLY H A 63 LEU HBx 1.0 . 4.28 726 625 A 71 GLY H A 63 LEU HBy 1.0 . 4.28 727 626 A 63 LEU HBx A 71 GLY HAy 1.0 . 4.78 728 626 A 63 LEU HBy A 71 GLY HAy 1.0 . 4.78 729 626 A 71 GLY HAx A 63 LEU HBx 1.0 . 4.78 730 626 A 63 LEU HBy A 71 GLY HAx 1.0 . 4.78 731 627 A 64 HIS H A 63 LEU HDy% 1.0 . 3.81 732 627 A 64 HIS H A 63 LEU HDx% 1.0 . 3.81 733 628 A 71 GLY H A 63 LEU HDy% 1.0 . 4.65 734 628 A 71 GLY H A 63 LEU HDx% 1.0 . 4.65 735 629 A 63 LEU HDx% A 71 GLY HAy 1.0 . 4.32 736 629 A 63 LEU HDy% A 71 GLY HAy 1.0 . 4.32 737 629 A 71 GLY HAx A 63 LEU HDy% 1.0 . 4.32 738 629 A 63 LEU HDx% A 71 GLY HAx 1.0 . 4.32 739 630 A 74 VAL H A 63 LEU HDy% 1.0 . 4.15 740 630 A 74 VAL H A 63 LEU HDx% 1.0 . 4.15 741 631 A 63 LEU HDx% A 74 VAL HGy% 1.0 . 3.93 742 631 A 63 LEU HDy% A 74 VAL HGy% 1.0 . 3.93 743 631 A 74 VAL HGx% A 63 LEU HDy% 1.0 . 3.93 744 631 A 74 VAL HGx% A 63 LEU HDx% 1.0 . 3.93 745 632 A 82 LEU HDx% A 63 LEU HDy% 1.0 . 2.92 746 632 A 82 LEU HDx% A 63 LEU HDx% 1.0 . 2.92 747 633 A 82 LEU HDy% A 63 LEU HDy% 1.0 . 3.38 748 633 A 82 LEU HDy% A 63 LEU HDx% 1.0 . 3.38 749 634 A 64 HIS H A 64 HIS HBx 1.0 . 3.33 750 634 A 64 HIS H A 64 HIS HBy 1.0 . 3.33 751 635 A 64 HIS H A 74 VAL HGy% 1.0 . 3.72 752 635 A 64 HIS H A 74 VAL HGx% 1.0 . 3.72 753 636 A 64 HIS HA A 74 VAL HGy% 1.0 . 4.04 754 636 A 64 HIS HA A 74 VAL HGx% 1.0 . 4.04 755 637 A 66 GLU H A 64 HIS HBx 1.0 . 3.95 756 637 A 66 GLU H A 64 HIS HBy 1.0 . 3.95 757 638 A 70 ALA H A 64 HIS HBx 1.0 . 4.54 758 638 A 70 ALA H A 64 HIS HBy 1.0 . 4.54 759 639 A 70 ALA HA A 64 HIS HBx 1.0 . 3.52 760 639 A 70 ALA HA A 64 HIS HBy 1.0 . 3.52 761 640 A 71 GLY H A 64 HIS HBx 1.0 . 3.93 762 640 A 71 GLY H A 64 HIS HBy 1.0 . 3.93 763 641 A 72 LEU H A 64 HIS HBx 1.0 . 3.84 764 641 A 72 LEU H A 64 HIS HBy 1.0 . 3.84 765 642 A 64 HIS HBy A 74 VAL HGy% 1.0 . 4.53 766 642 A 74 VAL HGx% A 64 HIS HBx 1.0 . 4.53 767 642 A 74 VAL HGx% A 64 HIS HBy 1.0 . 4.53 768 642 A 64 HIS HBx A 74 VAL HGy% 1.0 . 4.53 769 643 A 64 HIS HD2 A 69 LEU HBx 1.0 . 3.49 770 643 A 64 HIS HD2 A 69 LEU HBy 1.0 . 3.49 771 644 A 64 HIS HD2 A 69 LEU HDy% 1.0 . 3.71 772 644 A 64 HIS HD2 A 69 LEU HDx% 1.0 . 3.71 773 645 A 64 HIS HD2 A 72 LEU HBx 1.0 . 3.63 774 645 A 64 HIS HD2 A 72 LEU HBy 1.0 . 3.63 775 646 A 64 HIS HD2 A 72 LEU HDx% 1.0 . 4.26 776 646 A 64 HIS HD2 A 72 LEU HD21 1.0 . 4.26 777 647 A 64 HIS HD2 A 74 VAL HGy% 1.0 . 3.95 778 647 A 64 HIS HD2 A 74 VAL HGx% 1.0 . 3.95 779 648 A 64 HIS HE1 A 69 LEU HDy% 1.0 . 3.94 780 648 A 64 HIS HE1 A 69 LEU HDx% 1.0 . 3.94 781 649 A 64 HIS HE1 A 74 VAL HGy% 1.0 . 3.25 782 649 A 64 HIS HE1 A 74 VAL HGx% 1.0 . 3.25 783 650 A 69 LEU H A 67 GLY HAx 1.0 . 4.39 784 650 A 69 LEU H A 67 GLY HAy 1.0 . 4.39 785 651 A 68 PRO HBy A 69 LEU HDy% 1.0 . 4.03 786 651 A 69 LEU HDx% A 68 PRO HBy 1.0 . 4.03 787 651 A 69 LEU HDx% A 68 PRO HBx 1.0 . 4.03 788 651 A 68 PRO HBx A 69 LEU HDy% 1.0 . 4.03 789 652 A 69 LEU H A 68 PRO HDx 1.0 . 3.87 790 652 A 69 LEU H A 68 PRO HDy 1.0 . 3.87 791 653 A 69 LEU H A 69 LEU HBx 1.0 . 3.42 792 653 A 69 LEU H A 69 LEU HBy 1.0 . 3.42 793 654 A 69 LEU HA A 69 LEU HDy% 1.0 . 2.93 794 654 A 69 LEU HA A 69 LEU HDx% 1.0 . 2.93 795 655 A 69 LEU HBy A 69 LEU HDy% 1.0 . 2.73 796 655 A 69 LEU HBx A 69 LEU HDy% 1.0 . 2.73 797 655 A 69 LEU HDx% A 69 LEU HBx 1.0 . 2.73 798 655 A 69 LEU HBy A 69 LEU HDx% 1.0 . 2.73 799 656 A 69 LEU HBx A 72 LEU HBx 1.0 . 4.77 800 656 A 69 LEU HBy A 72 LEU HBx 1.0 . 4.77 801 656 A 72 LEU HBy A 69 LEU HBx 1.0 . 4.77 802 656 A 69 LEU HBy A 72 LEU HBy 1.0 . 4.77 803 657 A 70 ALA H A 69 LEU HDy% 1.0 . 4.53 804 657 A 70 ALA H A 69 LEU HDx% 1.0 . 4.53 805 658 A 69 LEU HDy% A 72 LEU HDx% 1.0 . 3.00 806 658 A 69 LEU HDx% A 72 LEU HDx% 1.0 . 3.00 807 658 A 72 LEU HD21 A 69 LEU HDy% 1.0 . 3.00 808 658 A 69 LEU HDx% A 72 LEU HD21 1.0 . 3.00 809 659 A 69 LEU HDy% A 73 PRO HDx 1.0 . 4.17 810 659 A 69 LEU HDx% A 73 PRO HDx 1.0 . 4.17 811 659 A 73 PRO HDy A 69 LEU HDy% 1.0 . 4.17 812 659 A 69 LEU HDx% A 73 PRO HDy 1.0 . 4.17 813 660 A 110 TYR HD% A 69 LEU HDy% 1.0 . 4.10 814 660 A 110 TYR HD% A 69 LEU HDx% 1.0 . 4.10 815 661 A 69 LEU HDx% A 112 HIS HBx 1.0 . 3.18 816 661 A 112 HIS HBy A 69 LEU HDy% 1.0 . 3.18 817 661 A 69 LEU HDx% A 112 HIS HBy 1.0 . 3.18 818 661 A 69 LEU HDy% A 112 HIS HBx 1.0 . 3.18 819 662 A 112 HIS HD2 A 69 LEU HDy% 1.0 . 3.18 820 662 A 112 HIS HD2 A 69 LEU HDx% 1.0 . 3.18 821 663 A 70 ALA H A 72 LEU HDx% 1.0 . 4.98 822 663 A 70 ALA H A 72 LEU HD21 1.0 . 4.98 823 664 A 70 ALA HA A 71 GLY HAy 1.0 . 4.49 824 664 A 70 ALA HA A 71 GLY HAx 1.0 . 4.49 825 665 A 72 LEU H A 72 LEU HBx 1.0 . 3.28 826 665 A 72 LEU H A 72 LEU HBy 1.0 . 3.28 827 666 A 72 LEU H A 72 LEU HDx% 1.0 . 4.14 828 666 A 72 LEU H A 72 LEU HD21 1.0 . 4.14 829 667 A 72 LEU HBx A 72 LEU HDx% 1.0 . 2.59 830 667 A 72 LEU HBy A 72 LEU HDx% 1.0 . 2.59 831 667 A 72 LEU HD21 A 72 LEU HBx 1.0 . 2.59 832 667 A 72 LEU HBy A 72 LEU HD21 1.0 . 2.59 833 668 A 72 LEU HBy A 73 PRO HDx 1.0 . 3.32 834 668 A 72 LEU HBx A 73 PRO HDx 1.0 . 3.32 835 668 A 73 PRO HDy A 72 LEU HBx 1.0 . 3.32 836 668 A 72 LEU HBy A 73 PRO HDy 1.0 . 3.32 837 669 A 110 TYR HD% A 72 LEU HBx 1.0 . 4.32 838 669 A 110 TYR HD% A 72 LEU HBy 1.0 . 4.32 839 670 A 110 TYR HE% A 72 LEU HBx 1.0 . 4.33 840 670 A 110 TYR HE% A 72 LEU HBy 1.0 . 4.33 841 671 A 112 HIS HE1 A 72 LEU HBx 1.0 . 4.14 842 671 A 112 HIS HE1 A 72 LEU HBy 1.0 . 4.14 843 672 A 72 LEU HD21 A 73 PRO HDx 1.0 . 3.93 844 672 A 72 LEU HDx% A 73 PRO HDx 1.0 . 3.93 845 672 A 73 PRO HDy A 72 LEU HDx% 1.0 . 3.93 846 672 A 72 LEU HD21 A 73 PRO HDy 1.0 . 3.93 847 673 A 112 HIS HE1 A 72 LEU HDx% 1.0 . 3.99 848 673 A 112 HIS HE1 A 72 LEU HD21 1.0 . 3.99 849 674 A 73 PRO HA A 74 VAL HGy% 1.0 . 3.68 850 674 A 73 PRO HA A 74 VAL HGx% 1.0 . 3.68 851 675 A 73 PRO HBy A 78 ASP HBx 1.0 . 3.79 852 675 A 73 PRO HBx A 78 ASP HBx 1.0 . 3.79 853 675 A 78 ASP HBy A 73 PRO HBx 1.0 . 3.79 854 675 A 78 ASP HBy A 73 PRO HBy 1.0 . 3.79 855 676 A 79 ALA HA A 73 PRO HBx 1.0 . 3.97 856 676 A 79 ALA HA A 73 PRO HBy 1.0 . 3.97 857 677 A 82 LEU HDy% A 73 PRO HBx 1.0 . 4.13 858 677 A 82 LEU HDy% A 73 PRO HBy 1.0 . 4.13 859 678 A 79 ALA HA A 73 PRO HGx 1.0 . 4.37 860 678 A 79 ALA HA A 73 PRO HGy 1.0 . 4.37 861 679 A 79 ALA HB% A 73 PRO HGx 1.0 . 3.64 862 679 A 79 ALA HB% A 73 PRO HGy 1.0 . 3.64 863 680 A 112 HIS HE1 A 73 PRO HGx 1.0 . 4.18 864 680 A 112 HIS HE1 A 73 PRO HGy 1.0 . 4.18 865 681 A 82 LEU HDy% A 73 PRO HDx 1.0 . 3.44 866 681 A 82 LEU HDy% A 73 PRO HDy 1.0 . 3.44 867 682 A 110 TYR HD% A 73 PRO HDx 1.0 . 4.14 868 682 A 110 TYR HD% A 73 PRO HDy 1.0 . 4.14 869 683 A 110 TYR HE% A 73 PRO HDx 1.0 . 4.25 870 683 A 110 TYR HE% A 73 PRO HDy 1.0 . 4.25 871 684 A 112 HIS HE1 A 73 PRO HDx 1.0 . 4.06 872 684 A 112 HIS HE1 A 73 PRO HDy 1.0 . 4.06 873 685 A 74 VAL H A 74 VAL HGy% 1.0 . 2.95 874 685 A 74 VAL H A 74 VAL HGx% 1.0 . 2.95 875 686 A 75 THR H A 74 VAL HGy% 1.0 . 3.66 876 686 A 75 THR H A 74 VAL HGx% 1.0 . 3.66 877 687 A 75 THR HA A 74 VAL HGy% 1.0 . 4.07 878 687 A 75 THR HA A 74 VAL HGx% 1.0 . 4.07 879 688 A 75 THR HG2% A 74 VAL HGy% 1.0 . 2.88 880 688 A 75 THR HG2% A 74 VAL HGx% 1.0 . 2.88 881 689 A 112 HIS HD2 A 74 VAL HGy% 1.0 . 4.19 882 689 A 112 HIS HD2 A 74 VAL HGx% 1.0 . 4.19 883 690 A 112 HIS HE1 A 74 VAL HGy% 1.0 . 4.34 884 690 A 112 HIS HE1 A 74 VAL HGx% 1.0 . 4.34 885 691 A 75 THR H A 78 ASP HBx 1.0 . 3.51 886 691 A 75 THR H A 78 ASP HBy 1.0 . 3.51 887 692 A 75 THR HA A 113 LEU HDy% 1.0 . 3.51 888 692 A 75 THR HA A 113 LEU HDx% 1.0 . 3.51 889 693 A 75 THR HG2% A 113 LEU HDy% 1.0 . 4.03 890 693 A 75 THR HG2% A 113 LEU HDx% 1.0 . 4.03 891 694 A 76 ARG HA A 113 LEU HDy% 1.0 . 4.52 892 694 A 76 ARG HA A 113 LEU HDx% 1.0 . 4.52 893 695 A 78 ASP H A 78 ASP HBx 1.0 . 3.42 894 695 A 78 ASP H A 78 ASP HBy 1.0 . 3.42 895 696 A 78 ASP HA A 81 VAL HGy% 1.0 . 3.61 896 696 A 78 ASP HA A 81 VAL HGx% 1.0 . 3.61 897 697 A 79 ALA H A 78 ASP HBx 1.0 . 3.54 898 697 A 79 ALA H A 78 ASP HBy 1.0 . 3.54 899 698 A 79 ALA HA A 82 LEU HBx 1.0 . 4.26 900 698 A 79 ALA HA A 82 LEU HBy 1.0 . 4.26 901 699 A 81 VAL H A 81 VAL HGy% 1.0 . 2.95 902 699 A 81 VAL H A 81 VAL HGx% 1.0 . 2.95 903 700 A 81 VAL HA A 81 VAL HGy% 1.0 . 2.85 904 700 A 81 VAL HA A 81 VAL HGx% 1.0 . 2.85 905 701 A 82 LEU H A 81 VAL HGy% 1.0 . 3.31 906 701 A 82 LEU H A 81 VAL HGx% 1.0 . 3.31 907 702 A 82 LEU H A 82 LEU HBx 1.0 . 3.22 908 702 A 82 LEU H A 82 LEU HBy 1.0 . 3.22 909 703 A 82 LEU HDx% A 82 LEU HBx 1.0 . 3.07 910 703 A 82 LEU HDx% A 82 LEU HBy 1.0 . 3.07 911 704 A 82 LEU HDy% A 82 LEU HBx 1.0 . 2.88 912 704 A 82 LEU HDy% A 82 LEU HBy 1.0 . 2.88 913 705 A 83 ILE H A 82 LEU HBx 1.0 . 3.20 914 705 A 83 ILE H A 82 LEU HBy 1.0 . 3.20 915 706 A 83 ILE H A 83 ILE HG1x 1.0 . 3.75 916 706 A 83 ILE H A 83 ILE HG1y 1.0 . 3.75 917 707 A 83 ILE HA A 83 ILE HG1x 1.0 . 3.52 918 707 A 83 ILE HA A 83 ILE HG1y 1.0 . 3.52 919 708 A 83 ILE HA A 86 GLU HBx 1.0 . 3.53 920 708 A 83 ILE HA A 86 GLU HBy 1.0 . 3.53 921 709 A 83 ILE HG2% A 83 ILE HG1x 1.0 . 3.30 922 709 A 83 ILE HG2% A 83 ILE HG1y 1.0 . 3.30 923 710 A 106 ILE HD1% A 83 ILE HG1x 1.0 . 4.00 924 710 A 106 ILE HD1% A 83 ILE HG1y 1.0 . 4.00 925 711 A 85 ASN H A 84 PHE HBy 1.0 . 3.27 926 711 A 85 ASN H A 84 PHE HBx 1.0 . 3.27 927 712 A 85 ASN H A 85 ASN HBy 1.0 . 3.14 928 712 A 85 ASN H A 85 ASN HBx 1.0 . 3.14 929 713 A 85 ASN HA A 88 GLU HBx 1.0 . 3.76 930 713 A 85 ASN HA A 88 GLU HBy 1.0 . 3.76 931 714 A 86 GLU H A 85 ASN HBy 1.0 . 3.53 932 714 A 86 GLU H A 85 ASN HBx 1.0 . 3.53 933 715 A 87 TRP H A 86 GLU HBx 1.0 . 3.45 934 715 A 87 TRP H A 86 GLU HBy 1.0 . 3.45 935 716 A 87 TRP HA A 97 LEU HDy% 1.0 . 3.93 936 716 A 87 TRP HA A 97 LEU HDx% 1.0 . 3.93 937 717 A 87 TRP HD1 A 87 TRP HBx 1.0 . 3.42 938 717 A 87 TRP HD1 A 87 TRP HBy 1.0 . 3.42 939 718 A 87 TRP HE3 A 87 TRP HBx 1.0 . 3.42 940 718 A 87 TRP HE3 A 87 TRP HBy 1.0 . 3.42 941 719 A 87 TRP HE1 A 87 TRP HBx 1.0 . 4.57 942 719 A 87 TRP HE1 A 87 TRP HBy 1.0 . 4.57 943 720 A 88 GLU H A 87 TRP HBx 1.0 . 3.39 944 720 A 88 GLU H A 87 TRP HBy 1.0 . 3.39 945 721 A 99 LEU HDy% A 87 TRP HBx 1.0 . 3.07 946 721 A 99 LEU HDy% A 87 TRP HBy 1.0 . 3.07 947 722 A 87 TRP HD1 A 97 LEU HBx 1.0 . 3.56 948 722 A 87 TRP HD1 A 97 LEU HBy 1.0 . 3.56 949 723 A 87 TRP HD1 A 97 LEU HDy% 1.0 . 3.13 950 723 A 87 TRP HD1 A 97 LEU HDx% 1.0 . 3.13 951 724 A 87 TRP HE3 A 88 GLU HGx 1.0 . 3.55 952 724 A 87 TRP HE3 A 88 GLU HGy 1.0 . 3.55 953 725 A 87 TRP HE1 A 91 LYS HBx 1.0 . 4.09 954 725 A 87 TRP HE1 A 91 LYS HBy 1.0 . 4.09 955 726 A 87 TRP HE1 A 97 LEU HBx 1.0 . 3.73 956 726 A 87 TRP HE1 A 97 LEU HBy 1.0 . 3.73 957 727 A 87 TRP HE1 A 97 LEU HDy% 1.0 . 4.33 958 727 A 87 TRP HE1 A 97 LEU HDx% 1.0 . 4.33 959 728 A 88 GLU H A 88 GLU HBx 1.0 . 2.96 960 728 A 88 GLU H A 88 GLU HBy 1.0 . 2.96 961 729 A 88 GLU H A 88 GLU HGx 1.0 . 3.67 962 729 A 88 GLU H A 88 GLU HGy 1.0 . 3.67 963 730 A 90 ARG H A 90 ARG HBx 1.0 . 3.29 964 730 A 90 ARG H A 90 ARG HBy 1.0 . 3.29 965 731 A 91 LYS H A 90 ARG HBx 1.0 . 3.86 966 731 A 91 LYS H A 90 ARG HBy 1.0 . 3.86 967 732 A 90 ARG HBx A 97 LEU HDy% 1.0 . 3.49 968 732 A 97 LEU HDx% A 90 ARG HBx 1.0 . 3.49 969 732 A 97 LEU HDx% A 90 ARG HBy 1.0 . 3.49 970 732 A 90 ARG HBy A 97 LEU HDy% 1.0 . 3.49 971 733 A 91 LYS HA A 94 GLU HGx 1.0 . 4.08 972 733 A 91 LYS HA A 94 GLU HGy 1.0 . 4.08 973 734 A 93 SER H A 93 SER HBy 1.0 . 3.61 974 734 A 93 SER H A 93 SER HBx 1.0 . 3.61 975 735 A 94 GLU H A 93 SER HBy 1.0 . 4.14 976 735 A 94 GLU H A 93 SER HBx 1.0 . 4.14 977 736 A 94 GLU H A 94 GLU HBx 1.0 . 3.48 978 736 A 94 GLU H A 94 GLU HBy 1.0 . 3.48 979 737 A 94 GLU H A 94 GLU HGx 1.0 . 3.78 980 737 A 94 GLU H A 94 GLU HGy 1.0 . 3.78 981 738 A 94 GLU H A 95 PRO HDx 1.0 . 4.10 982 738 A 94 GLU H A 95 PRO HDy 1.0 . 4.10 983 739 A 94 GLU HA A 95 PRO HDx 1.0 . 3.07 984 739 A 94 GLU HA A 95 PRO HDy 1.0 . 3.07 985 740 A 96 TRP H A 94 GLU HBx 1.0 . 4.53 986 740 A 96 TRP H A 94 GLU HBy 1.0 . 4.53 987 741 A 96 TRP HD1 A 94 GLU HBx 1.0 . 4.14 988 741 A 96 TRP HD1 A 94 GLU HBy 1.0 . 4.14 989 742 A 96 TRP HZ2 A 94 GLU HBx 1.0 . 4.65 990 742 A 96 TRP HZ2 A 94 GLU HBy 1.0 . 4.65 991 743 A 96 TRP HZ2 A 94 GLU HGx 1.0 . 3.89 992 743 A 96 TRP HZ2 A 94 GLU HGy 1.0 . 3.89 993 744 A 96 TRP H A 95 PRO HDx 1.0 . 3.89 994 744 A 96 TRP H A 95 PRO HDy 1.0 . 3.89 995 745 A 96 TRP HE3 A 95 PRO HDx 1.0 . 4.43 996 745 A 96 TRP HE3 A 95 PRO HDy 1.0 . 4.43 997 746 A 96 TRP HZ3 A 95 PRO HDx 1.0 . 4.14 998 746 A 96 TRP HZ3 A 95 PRO HDy 1.0 . 4.14 999 747 A 96 TRP H A 97 LEU HBx 1.0 . 4.61 1000 747 A 96 TRP H A 97 LEU HBy 1.0 . 4.61 1001 748 A 96 TRP HD1 A 97 LEU HDy% 1.0 . 3.83 1002 748 A 96 TRP HD1 A 97 LEU HDx% 1.0 . 3.83 1003 749 A 97 LEU H A 97 LEU HBx 1.0 . 3.04 1004 749 A 97 LEU H A 97 LEU HBy 1.0 . 3.04 1005 750 A 97 LEU H A 97 LEU HDy% 1.0 . 3.81 1006 750 A 97 LEU H A 97 LEU HDx% 1.0 . 3.81 1007 751 A 97 LEU HA A 97 LEU HDy% 1.0 . 3.06 1008 751 A 97 LEU HA A 97 LEU HDx% 1.0 . 3.06 1009 752 A 98 ARG H A 97 LEU HBx 1.0 . 3.97 1010 752 A 98 ARG H A 97 LEU HBy 1.0 . 3.97 1011 753 A 98 ARG H A 97 LEU HDy% 1.0 . 3.76 1012 753 A 98 ARG H A 97 LEU HDx% 1.0 . 3.76 1013 754 A 99 LEU HDx% A 100 ASP HBx 1.0 . 4.39 1014 754 A 99 LEU HDx% A 100 ASP HBy 1.0 . 4.39 1015 755 A 99 LEU HDy% A 101 MET HGx 1.0 . 3.85 1016 755 A 99 LEU HDy% A 101 MET HGy 1.0 . 3.85 1017 756 A 101 MET H A 101 MET HGx 1.0 . 3.85 1018 756 A 101 MET H A 101 MET HGy 1.0 . 3.85 1019 757 A 103 ASP H A 103 ASP HBx 1.0 . 3.54 1020 757 A 103 ASP H A 103 ASP HBy 1.0 . 3.54 1021 758 A 104 LYS H A 103 ASP HBx 1.0 . 3.58 1022 758 A 104 LYS H A 103 ASP HBy 1.0 . 3.58 1023 759 A 107 PHE HE% A 103 ASP HBx 1.0 . 3.74 1024 759 A 107 PHE HE% A 103 ASP HBy 1.0 . 3.74 1025 760 A 104 LYS H A 104 LYS HBx 1.0 . 3.04 1026 760 A 104 LYS H A 104 LYS HBy 1.0 . 3.04 1027 761 A 104 LYS HA A 107 PHE HBy 1.0 . 4.18 1028 761 A 104 LYS HA A 107 PHE HBx 1.0 . 4.18 1029 762 A 105 ALA H A 104 LYS HBx 1.0 . 3.38 1030 762 A 105 ALA H A 104 LYS HBy 1.0 . 3.38 1031 763 A 105 ALA HA A 108 ARG HBx 1.0 . 3.58 1032 763 A 105 ALA HA A 108 ARG HBy 1.0 . 3.58 1033 764 A 106 ILE HA A 109 ARG HBx 1.0 . 4.20 1034 764 A 106 ILE HA A 109 ARG HBy 1.0 . 4.20 1035 765 A 106 ILE HG2% A 113 LEU HBx 1.0 . 4.10 1036 765 A 106 ILE HG2% A 113 LEU HBy 1.0 . 4.10 1037 766 A 107 PHE H A 107 PHE HBy 1.0 . 3.29 1038 766 A 107 PHE H A 107 PHE HBx 1.0 . 3.29 1039 767 A 107 PHE HD% A 108 ARG HBx 1.0 . 4.72 1040 767 A 107 PHE HD% A 108 ARG HBy 1.0 . 4.72 1041 768 A 107 PHE HD% A 113 LEU HBx 1.0 . 4.33 1042 768 A 107 PHE HD% A 113 LEU HBy 1.0 . 4.33 1043 769 A 108 ARG H A 108 ARG HGy 1.0 . 3.76 1044 769 A 108 ARG H A 108 ARG HGx 1.0 . 3.76 1045 770 A 109 ARG H A 108 ARG HBx 1.0 . 3.46 1046 770 A 109 ARG H A 108 ARG HBy 1.0 . 3.46 1047 771 A 109 ARG H A 109 ARG HBx 1.0 . 3.26 1048 771 A 109 ARG H A 109 ARG HBy 1.0 . 3.26 1049 772 A 109 ARG H A 109 ARG HGy 1.0 . 4.25 1050 772 A 109 ARG H A 109 ARG HGx 1.0 . 4.25 1051 773 A 110 TYR H A 109 ARG HBx 1.0 . 3.74 1052 773 A 110 TYR H A 109 ARG HBy 1.0 . 3.74 1053 774 A 110 TYR HA A 111 PRO HDx 1.0 . 3.29 1054 774 A 110 TYR HA A 111 PRO HDy 1.0 . 3.29 1055 775 A 110 TYR HBx A 113 LEU HDy% 1.0 . 3.66 1056 775 A 110 TYR HBy A 113 LEU HDy% 1.0 . 3.66 1057 775 A 113 LEU HDx% A 110 TYR HBx 1.0 . 3.66 1058 775 A 110 TYR HBy A 113 LEU HDx% 1.0 . 3.66 1059 776 A 110 TYR HD% A 113 LEU HDy% 1.0 . 3.80 1060 776 A 110 TYR HD% A 113 LEU HDx% 1.0 . 3.80 1061 777 A 112 HIS H A 111 PRO HBy 1.0 . 3.70 1062 777 A 112 HIS H A 111 PRO HBx 1.0 . 3.70 1063 778 A 112 HIS H A 112 HIS HBx 1.0 . 3.12 1064 778 A 112 HIS H A 112 HIS HBy 1.0 . 3.12 1065 779 A 112 HIS HD2 A 112 HIS HBx 1.0 . 3.30 1066 779 A 112 HIS HD2 A 112 HIS HBy 1.0 . 3.30 1067 780 A 112 HIS HD2 A 113 LEU HDy% 1.0 . 3.40 1068 780 A 112 HIS HD2 A 113 LEU HDx% 1.0 . 3.40 1069 781 A 112 HIS HE1 A 113 LEU HDy% 1.0 . 4.27 1070 781 A 112 HIS HE1 A 113 LEU HDx% 1.0 . 4.27 1071 782 A 113 LEU H A 113 LEU HBx 1.0 . 3.31 1072 782 A 113 LEU H A 113 LEU HBy 1.0 . 3.31 1073 783 A 113 LEU H A 113 LEU HDy% 1.0 . 3.45 1074 783 A 113 LEU H A 113 LEU HDx% 1.0 . 3.45 1075 784 A 113 LEU HA A 113 LEU HDy% 1.0 . 2.94 1076 784 A 113 LEU HDx% A 113 LEU HA 1.0 . 2.94 1077 785 A 114 ARG H A 113 LEU HBx 1.0 . 4.43 1078 785 A 114 ARG H A 113 LEU HBy 1.0 . 4.43 stop_ save_