data_nef_c15801_2k4j 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 12 SER middle . . 13 A 13 GLU middle . . 14 A 14 GLU middle . . 15 A 15 VAL middle . . 16 A 16 SER middle . . 17 A 17 GLU middle . . 18 A 18 PRO middle . false 19 A 19 GLY middle . false 20 A 20 ASP middle . . 21 A 21 ALA middle . . 22 A 22 ASN middle . . 23 A 23 ILE middle . . 24 A 24 PHE middle . . 25 A 25 ARG middle . . 26 A 26 VAL middle . . 27 A 27 ASP middle . . 28 A 28 LYS middle . . 29 A 29 ASP middle . . 30 A 30 SER middle . . 31 A 31 ARG middle . . 32 A 32 GLU middle . . 33 A 33 VAL middle . . 34 A 34 TYR middle . . 35 A 35 MET middle . . 36 A 36 HIS middle . . 37 A 37 GLU middle . . 38 A 38 LYS middle . . 39 A 39 LYS middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 LEU middle . . 43 A 43 THR middle . . 44 A 44 ARG middle . . 45 A 45 ALA middle . . 46 A 46 GLU middle . . 47 A 47 TYR middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LEU middle . . 51 A 51 SER middle . . 52 A 52 LEU middle . . 53 A 53 LEU middle . . 54 A 54 ILE middle . . 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 LYS middle . . 58 A 58 GLY middle . false 59 A 59 TYR middle . . 60 A 60 VAL middle . . 61 A 61 PHE middle . . 62 A 62 SER middle . . 63 A 63 ARG middle . . 64 A 64 GLU middle . . 65 A 65 SER middle . . 66 A 66 ILE middle . . 67 A 67 ALA middle . . 68 A 68 ILE middle . . 69 A 69 GLU middle . . 70 A 70 SER middle . . 71 A 71 GLU middle . . 72 A 72 SER middle . . 73 A 73 ILE middle . . 74 A 74 ASN middle . . 75 A 75 PRO middle . false 76 A 76 GLU middle . . 77 A 77 SER middle . . 78 A 78 SER middle . . 79 A 79 ASN middle . . 80 A 80 LYS middle . . 81 A 81 SER middle . . 82 A 82 ILE middle . . 83 A 83 ASP middle . . 84 A 84 VAL middle . . 85 A 85 ILE middle . . 86 A 86 ILE middle . . 87 A 87 GLY middle . false 88 A 88 ARG middle . . 89 A 89 LEU middle . . 90 A 90 ARG middle . . 91 A 91 SER middle . . 92 A 92 LYS middle . . 93 A 93 ILE middle . . 94 A 94 GLU middle . . 95 A 95 LYS middle . . 96 A 96 ASN middle . . 97 A 97 PRO middle . false 98 A 98 LYS middle . . 99 A 99 GLN middle . . 100 A 100 PRO middle . false 101 A 101 GLN middle . . 102 A 102 TYR middle . . 103 A 103 ILE middle . . 104 A 104 ILE middle . . 105 A 105 SER middle . . 106 A 106 VAL middle . . 107 A 107 ARG middle . . 108 A 108 GLY middle . false 109 A 109 ILE middle . . 110 A 110 GLY middle . false 111 A 111 TYR middle . . 112 A 112 LYS middle . . 113 A 113 LEU middle . . 114 A 114 GLU middle . . 115 A 115 TYR 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 11 GLY HAx H 1 3.870 0.000 A 11 GLY HAy H 1 3.870 0.000 A 11 GLY CA C 13 45.215 0.000 A 12 SER H H 1 8.210 0.006 A 12 SER HA H 1 4.380 0.033 A 12 SER HBx H 1 3.791 0.017 A 12 SER HBy H 1 3.791 0.017 A 12 SER CA C 13 58.400 0.000 A 12 SER CB C 13 63.361 0.000 A 12 SER N N 15 116.611 0.045 A 13 GLU H H 1 8.468 0.015 A 13 GLU HA H 1 4.221 0.030 A 13 GLU HBy H 1 1.986 0.000 A 13 GLU HBx H 1 1.880 0.010 A 13 GLU HGx H 1 2.144 0.000 A 13 GLU HGy H 1 2.144 0.000 A 13 GLU CA C 13 56.662 0.000 A 13 GLU CB C 13 29.577 0.000 A 13 GLU CG C 13 36.081 0.000 A 13 GLU N N 15 123.120 0.070 A 14 GLU H H 1 8.258 0.007 A 14 GLU HA H 1 4.207 0.018 A 14 GLU HBx H 1 1.858 0.029 A 14 GLU HBy H 1 1.858 0.029 A 14 GLU HGx H 1 2.033 0.090 A 14 GLU HGy H 1 2.033 0.090 A 14 GLU CA C 13 56.302 0.000 A 14 GLU CB C 13 29.946 0.000 A 14 GLU CG C 13 36.178 0.000 A 14 GLU N N 15 122.496 0.059 A 15 VAL H H 1 8.102 0.009 A 15 VAL HA H 1 4.090 0.019 A 15 VAL HB H 1 1.998 0.026 A 15 VAL HGx% H 1 0.828 0.029 A 15 VAL HGy% H 1 0.828 0.029 A 15 VAL CA C 13 61.749 0.143 A 15 VAL CB C 13 32.842 0.072 A 15 VAL CGy C 13 21.012 0.000 A 15 VAL CGx C 13 20.210 0.000 A 15 VAL N N 15 122.208 0.086 A 16 SER H H 1 8.312 0.008 A 16 SER HA H 1 4.397 0.016 A 16 SER HBx H 1 3.734 0.013 A 16 SER HBy H 1 3.734 0.013 A 16 SER CA C 13 57.972 0.000 A 16 SER CB C 13 64.016 0.000 A 16 SER N N 15 120.922 0.057 A 17 GLU H H 1 8.361 0.011 A 17 GLU N N 15 124.830 0.043 A 18 PRO HA H 1 4.317 0.028 A 18 PRO HBy H 1 2.211 0.025 A 18 PRO HBx H 1 1.886 0.038 A 18 PRO HDy H 1 3.763 0.000 A 18 PRO HDx H 1 3.686 0.000 A 18 PRO HGx H 1 1.958 0.050 A 18 PRO HGy H 1 1.958 0.050 A 18 PRO CA C 13 63.378 0.058 A 18 PRO CB C 13 32.041 0.172 A 18 PRO CD C 13 50.722 0.000 A 18 PRO CG C 13 27.216 0.010 A 19 GLY H H 1 8.431 0.010 A 19 GLY HAx H 1 3.877 0.014 A 19 GLY HAy H 1 3.877 0.014 A 19 GLY CA C 13 45.122 0.030 A 19 GLY N N 15 109.821 0.048 A 20 ASP H H 1 8.143 0.019 A 20 ASP HA H 1 4.528 0.014 A 20 ASP HBy H 1 2.670 0.006 A 20 ASP HBx H 1 2.582 0.006 A 20 ASP CA C 13 54.126 0.060 A 20 ASP CB C 13 41.024 0.158 A 20 ASP N N 15 121.382 0.051 A 21 ALA H H 1 8.192 0.020 A 21 ALA HA H 1 4.269 0.011 A 21 ALA HB% H 1 1.333 0.011 A 21 ALA CA C 13 52.401 0.030 A 21 ALA CB C 13 19.136 0.075 A 21 ALA N N 15 124.783 0.030 A 22 ASN H H 1 8.405 0.007 A 22 ASN HA H 1 4.698 0.019 A 22 ASN HBx H 1 2.682 0.016 A 22 ASN HBy H 1 2.682 0.016 A 22 ASN CA C 13 53.001 0.000 A 22 ASN CB C 13 38.518 0.223 A 22 ASN N N 15 119.015 0.044 A 23 ILE H H 1 7.668 0.028 A 23 ILE HA H 1 3.314 0.031 A 23 ILE HB H 1 1.061 0.030 A 23 ILE HD1% H 1 0.544 0.004 A 23 ILE HG1y H 1 1.926 0.028 A 23 ILE HG1x H 1 0.643 0.012 A 23 ILE HG2% H 1 -0.110 0.004 A 23 ILE CA C 13 64.717 0.246 A 23 ILE CB C 13 37.976 0.326 A 23 ILE CD1 C 13 13.506 0.026 A 23 ILE CG1 C 13 27.526 0.001 A 23 ILE CG2 C 13 16.583 0.105 A 23 ILE N N 15 120.520 0.043 A 24 PHE H H 1 6.992 0.019 A 24 PHE HA H 1 5.364 0.007 A 24 PHE HBy H 1 2.525 0.011 A 24 PHE HBx H 1 2.283 0.033 A 24 PHE HDy H 1 6.516 0.002 A 24 PHE HDx H 1 6.255 0.011 A 24 PHE CA C 13 56.233 0.046 A 24 PHE CB C 13 42.553 0.251 A 24 PHE N N 15 114.881 0.053 A 25 ARG H H 1 8.675 0.007 A 25 ARG HA H 1 4.519 0.011 A 25 ARG HBx H 1 1.581 0.023 A 25 ARG HBy H 1 1.581 0.023 A 25 ARG HDx H 1 3.063 0.000 A 25 ARG HDy H 1 3.063 0.000 A 25 ARG HGx H 1 1.320 0.015 A 25 ARG HGy H 1 1.320 0.015 A 25 ARG CA C 13 55.673 0.000 A 25 ARG CB C 13 33.748 0.012 A 25 ARG CD C 13 42.934 0.000 A 25 ARG CG C 13 27.283 0.000 A 25 ARG N N 15 121.698 0.074 A 26 VAL H H 1 8.942 0.024 A 26 VAL HA H 1 4.546 0.021 A 26 VAL HB H 1 1.917 0.016 A 26 VAL HGx% H 1 0.853 0.023 A 26 VAL HGy% H 1 0.804 0.022 A 26 VAL CA C 13 61.371 0.088 A 26 VAL CB C 13 33.672 0.105 A 26 VAL CGx C 13 21.373 0.103 A 26 VAL CGy C 13 22.430 0.155 A 26 VAL N N 15 126.915 0.052 A 27 ASP H H 1 9.309 0.007 A 27 ASP HA H 1 4.902 0.035 A 27 ASP HBy H 1 3.154 0.015 A 27 ASP HBx H 1 2.392 0.011 A 27 ASP CA C 13 52.287 0.152 A 27 ASP CB C 13 41.474 0.106 A 27 ASP N N 15 129.332 0.046 A 28 LYS H H 1 8.702 0.017 A 28 LYS HA H 1 4.189 0.014 A 28 LYS HBx H 1 1.758 0.016 A 28 LYS HBy H 1 1.758 0.016 A 28 LYS HGx H 1 1.435 0.016 A 28 LYS HGy H 1 1.435 0.016 A 28 LYS CA C 13 58.176 0.049 A 28 LYS CB C 13 32.273 0.100 A 28 LYS CD C 13 28.930 0.000 A 28 LYS CE C 13 42.150 0.000 A 28 LYS CG C 13 25.141 0.090 A 28 LYS N N 15 124.815 0.106 A 29 ASP H H 1 8.216 0.008 A 29 ASP HA H 1 4.414 0.009 A 29 ASP HBy H 1 2.707 0.002 A 29 ASP HBx H 1 2.628 0.023 A 29 ASP CA C 13 56.749 0.140 A 29 ASP CB C 13 40.752 0.113 A 29 ASP N N 15 119.695 0.033 A 30 SER H H 1 7.625 0.007 A 30 SER HA H 1 4.211 0.017 A 30 SER HBy H 1 3.621 0.005 A 30 SER HBx H 1 3.507 0.015 A 30 SER CA C 13 58.201 0.045 A 30 SER CB C 13 63.409 0.074 A 30 SER N N 15 113.982 0.069 A 31 ARG H H 1 7.646 0.007 A 31 ARG HA H 1 3.315 0.009 A 31 ARG HBy H 1 1.567 0.021 A 31 ARG HBx H 1 0.341 0.017 A 31 ARG HDy H 1 2.951 0.000 A 31 ARG HDx H 1 2.869 0.006 A 31 ARG HGx H 1 1.077 0.013 A 31 ARG HGy H 1 1.077 0.013 A 31 ARG CA C 13 56.950 0.050 A 31 ARG CB C 13 26.235 0.000 A 31 ARG CD C 13 43.319 0.234 A 31 ARG CG C 13 27.381 0.109 A 31 ARG N N 15 119.776 0.068 A 32 GLU H H 1 7.726 0.006 A 32 GLU HA H 1 4.552 0.016 A 32 GLU HBy H 1 1.694 0.038 A 32 GLU HBx H 1 1.557 0.014 A 32 GLU HGx H 1 1.924 0.015 A 32 GLU HGy H 1 1.924 0.015 A 32 GLU CA C 13 54.082 0.122 A 32 GLU CB C 13 34.808 0.125 A 32 GLU CG C 13 36.183 0.027 A 32 GLU N N 15 117.413 0.049 A 33 VAL H H 1 9.500 0.015 A 33 VAL HA H 1 4.725 0.028 A 33 VAL HB H 1 1.711 0.020 A 33 VAL HGy% H 1 0.749 0.019 A 33 VAL CA C 13 61.102 0.090 A 33 VAL CB C 13 34.090 0.208 A 33 VAL CGy C 13 22.059 0.097 A 33 VAL N N 15 122.023 0.049 A 34 TYR H H 1 9.128 0.016 A 34 TYR HA H 1 4.772 0.023 A 34 TYR HBy H 1 2.742 0.007 A 34 TYR HBx H 1 2.180 0.012 A 34 TYR HDy H 1 6.715 0.024 A 34 TYR HDx H 1 6.464 0.015 A 34 TYR CA C 13 56.074 0.129 A 34 TYR CB C 13 41.032 0.059 A 34 TYR N N 15 125.523 0.041 A 35 MET H H 1 8.849 0.025 A 35 MET HA H 1 4.833 0.019 A 35 MET HBy H 1 1.720 0.019 A 35 MET HBx H 1 1.303 0.008 A 35 MET HE% H 1 0.971 0.022 A 35 MET HGx H 1 1.661 0.025 A 35 MET HGy H 1 1.661 0.025 A 35 MET CA C 13 53.692 0.045 A 35 MET CB C 13 34.747 0.193 A 35 MET CG C 13 32.109 0.152 A 35 MET N N 15 122.926 0.032 A 36 HIS H H 1 9.142 0.010 A 36 HIS HA H 1 4.254 0.005 A 36 HIS HBy H 1 3.187 0.013 A 36 HIS HBx H 1 3.097 0.007 A 36 HIS CA C 13 57.890 0.199 A 36 HIS CB C 13 27.589 0.070 A 36 HIS N N 15 127.289 0.057 A 37 GLU H H 1 9.079 0.010 A 37 GLU HA H 1 3.623 0.013 A 37 GLU HBy H 1 2.216 0.018 A 37 GLU HBx H 1 2.104 0.002 A 37 GLU HGx H 1 1.454 0.000 A 37 GLU HGy H 1 1.454 0.000 A 37 GLU CA C 13 57.665 0.076 A 37 GLU CB C 13 26.904 0.129 A 37 GLU CG C 13 35.954 0.000 A 37 GLU N N 15 109.754 0.062 A 38 LYS H H 1 7.775 0.009 A 38 LYS HA H 1 4.604 0.023 A 38 LYS HBx H 1 1.766 0.018 A 38 LYS HBy H 1 1.766 0.018 A 38 LYS HEx H 1 2.946 0.048 A 38 LYS HEy H 1 2.946 0.048 A 38 LYS HGx H 1 1.322 0.034 A 38 LYS HGy H 1 1.322 0.034 A 38 LYS CA C 13 54.727 0.000 A 38 LYS CB C 13 33.803 0.072 A 38 LYS CD C 13 28.659 0.000 A 38 LYS CE C 13 42.194 0.049 A 38 LYS CG C 13 24.731 0.212 A 38 LYS N N 15 121.785 0.042 A 39 LYS H H 1 8.669 0.012 A 39 LYS HA H 1 3.255 0.014 A 39 LYS HBy H 1 1.373 0.003 A 39 LYS HBx H 1 1.321 0.010 A 39 LYS HDx H 1 0.959 0.004 A 39 LYS HDy H 1 0.959 0.004 A 39 LYS HEx H 1 2.782 0.008 A 39 LYS HEy H 1 2.782 0.008 A 39 LYS HGx H 1 0.620 0.015 A 39 LYS HGy H 1 0.620 0.015 A 39 LYS CA C 13 57.235 0.059 A 39 LYS CB C 13 32.072 0.075 A 39 LYS CD C 13 28.734 0.000 A 39 LYS CE C 13 41.779 0.131 A 39 LYS CG C 13 24.067 0.107 A 39 LYS N N 15 127.914 0.086 A 40 LEU H H 1 8.559 0.039 A 40 LEU HA H 1 4.258 0.023 A 40 LEU HBy H 1 1.643 0.017 A 40 LEU HBx H 1 0.886 0.020 A 40 LEU HDx% H 1 0.721 0.033 A 40 LEU HDy% H 1 0.622 0.019 A 40 LEU HG H 1 1.499 0.027 A 40 LEU CA C 13 53.961 0.190 A 40 LEU CB C 13 42.936 0.090 A 40 LEU CDy C 13 22.579 0.129 A 40 LEU CDx C 13 21.413 0.061 A 40 LEU CG C 13 26.456 0.025 A 40 LEU N N 15 128.578 0.055 A 41 ASP H H 1 8.715 0.018 A 41 ASP HA H 1 4.650 0.030 A 41 ASP HBy H 1 2.695 0.017 A 41 ASP HBx H 1 2.429 0.025 A 41 ASP CA C 13 53.172 0.078 A 41 ASP CB C 13 39.978 0.065 A 41 ASP N N 15 125.079 0.092 A 42 LEU H H 1 7.529 0.038 A 42 LEU HA H 1 4.832 0.022 A 42 LEU HBx H 1 1.633 0.029 A 42 LEU HBy H 1 1.633 0.029 A 42 LEU HDx% H 1 0.787 0.000 A 42 LEU HDy% H 1 0.607 0.018 A 42 LEU HG H 1 1.426 0.038 A 42 LEU CA C 13 53.117 0.196 A 42 LEU CB C 13 44.118 0.219 A 42 LEU CDy C 13 25.790 0.000 A 42 LEU CDx C 13 22.476 0.046 A 42 LEU CG C 13 26.886 0.000 A 42 LEU N N 15 123.620 0.024 A 43 THR H H 1 8.648 0.007 A 43 THR HA H 1 4.581 0.006 A 43 THR HB H 1 4.394 0.012 A 43 THR HG2% H 1 1.161 0.005 A 43 THR CA C 13 60.847 0.000 A 43 THR CB C 13 70.197 0.000 A 43 THR CG2 C 13 21.631 0.111 A 43 THR N N 15 115.334 0.050 A 44 ARG H H 1 8.666 0.008 A 44 ARG HA H 1 4.058 0.013 A 44 ARG HBx H 1 1.816 0.022 A 44 ARG HBy H 1 1.816 0.022 A 44 ARG HDx H 1 3.132 0.019 A 44 ARG HDy H 1 3.132 0.019 A 44 ARG HGx H 1 1.607 0.017 A 44 ARG HGy H 1 1.607 0.017 A 44 ARG CA C 13 59.766 0.046 A 44 ARG CB C 13 28.924 0.000 A 44 ARG CG C 13 26.861 0.111 A 44 ARG N N 15 122.006 0.069 A 45 ALA H H 1 8.421 0.012 A 45 ALA HA H 1 3.929 0.018 A 45 ALA HB% H 1 1.229 0.012 A 45 ALA CA C 13 54.932 0.128 A 45 ALA CB C 13 18.413 0.057 A 45 ALA N N 15 120.220 0.091 A 46 GLU H H 1 7.086 0.009 A 46 GLU HA H 1 3.422 0.011 A 46 GLU HBy H 1 2.177 0.042 A 46 GLU HBx H 1 1.772 0.024 A 46 GLU HGx H 1 1.939 0.011 A 46 GLU HGy H 1 1.939 0.011 A 46 GLU CA C 13 58.963 0.048 A 46 GLU CB C 13 30.702 0.000 A 46 GLU CG C 13 37.616 0.068 A 46 GLU N N 15 115.901 0.057 A 47 TYR H H 1 8.620 0.008 A 47 TYR HA H 1 3.620 0.009 A 47 TYR HBy H 1 3.146 0.007 A 47 TYR HBx H 1 2.937 0.019 A 47 TYR HDy H 1 6.787 0.008 A 47 TYR HDx H 1 6.526 0.003 A 47 TYR CA C 13 62.042 0.040 A 47 TYR CB C 13 37.538 0.164 A 47 TYR N N 15 119.540 0.058 A 48 GLU H H 1 8.569 0.015 A 48 GLU HA H 1 3.284 0.012 A 48 GLU HBy H 1 2.083 0.023 A 48 GLU HBx H 1 1.878 0.011 A 48 GLU HGx H 1 2.396 0.056 A 48 GLU HGy H 1 2.396 0.056 A 48 GLU CA C 13 59.929 0.000 A 48 GLU CB C 13 28.609 0.173 A 48 GLU CG C 13 36.927 0.048 A 48 GLU N N 15 123.225 0.065 A 49 ILE H H 1 7.611 0.020 A 49 ILE HA H 1 3.287 0.015 A 49 ILE HB H 1 1.434 0.026 A 49 ILE HD1% H 1 0.360 0.019 A 49 ILE HG1y H 1 0.665 0.012 A 49 ILE HG1x H 1 0.569 0.018 A 49 ILE HG2% H 1 0.352 0.013 A 49 ILE CA C 13 65.429 0.094 A 49 ILE CB C 13 37.318 0.176 A 49 ILE CD1 C 13 13.392 0.000 A 49 ILE CG1 C 13 28.326 0.092 A 49 ILE CG2 C 13 16.271 0.056 A 49 ILE N N 15 117.901 0.050 A 50 LEU H H 1 8.349 0.013 A 50 LEU HA H 1 3.629 0.013 A 50 LEU HBx H 1 1.388 0.017 A 50 LEU HBy H 1 1.388 0.017 A 50 LEU HDx% H 1 0.534 0.014 A 50 LEU HDy% H 1 0.422 0.014 A 50 LEU HG H 1 1.263 0.044 A 50 LEU CA C 13 57.812 0.095 A 50 LEU CB C 13 41.049 0.019 A 50 LEU CDy C 13 27.101 0.067 A 50 LEU CDx C 13 22.230 0.080 A 50 LEU CG C 13 26.325 0.000 A 50 LEU N N 15 119.804 0.056 A 51 SER H H 1 8.239 0.008 A 51 SER HA H 1 3.350 0.031 A 51 SER HBx H 1 2.936 0.021 A 51 SER HBy H 1 2.936 0.021 A 51 SER CA C 13 61.599 0.099 A 51 SER CB C 13 63.500 0.192 A 51 SER N N 15 111.770 0.051 A 52 LEU H H 1 6.821 0.023 A 52 LEU HA H 1 3.855 0.010 A 52 LEU HBy H 1 1.604 0.014 A 52 LEU HBx H 1 1.335 0.013 A 52 LEU HDx% H 1 0.617 0.016 A 52 LEU HDy% H 1 0.346 0.019 A 52 LEU HG H 1 1.100 0.469 A 52 LEU CA C 13 57.724 0.097 A 52 LEU CB C 13 41.355 0.070 A 52 LEU CDx C 13 22.743 0.067 A 52 LEU CG C 13 26.545 0.000 A 52 LEU N N 15 126.682 0.065 A 53 LEU H H 1 7.640 0.018 A 53 LEU HA H 1 3.829 0.011 A 53 LEU HBx H 1 1.551 0.029 A 53 LEU HBy H 1 1.551 0.029 A 53 LEU HDx% H 1 0.500 0.038 A 53 LEU HDy% H 1 0.414 0.029 A 53 LEU HG H 1 1.511 0.014 A 53 LEU CA C 13 58.177 0.112 A 53 LEU CB C 13 41.213 0.033 A 53 LEU CDx C 13 22.470 0.087 A 53 LEU CG C 13 25.001 0.167 A 53 LEU N N 15 119.520 0.073 A 54 ILE H H 1 7.830 0.026 A 54 ILE HA H 1 3.391 0.016 A 54 ILE HB H 1 1.325 0.020 A 54 ILE HD1% H 1 0.108 0.014 A 54 ILE HG1y H 1 0.718 0.032 A 54 ILE HG1x H 1 0.694 0.028 A 54 ILE HG2% H 1 0.125 0.045 A 54 ILE CA C 13 64.366 0.056 A 54 ILE CB C 13 38.488 0.097 A 54 ILE CD1 C 13 15.878 0.068 A 54 ILE CG1 C 13 30.371 0.000 A 54 ILE CG2 C 13 17.229 0.000 A 54 ILE N N 15 115.741 0.038 A 55 SER H H 1 7.630 0.009 A 55 SER HA H 1 4.093 0.043 A 55 SER HBx H 1 3.895 0.023 A 55 SER HBy H 1 3.895 0.023 A 55 SER CA C 13 60.816 0.241 A 55 SER CB C 13 63.017 0.098 A 55 SER N N 15 116.186 0.047 A 56 LYS H H 1 7.000 0.021 A 56 LYS HA H 1 4.568 0.011 A 56 LYS HBx H 1 1.677 0.029 A 56 LYS HBy H 1 1.677 0.029 A 56 LYS HEx H 1 2.344 0.041 A 56 LYS HEy H 1 2.344 0.041 A 56 LYS HGx H 1 1.166 0.013 A 56 LYS HGy H 1 1.166 0.013 A 56 LYS CA C 13 54.524 0.000 A 56 LYS CB C 13 33.165 0.000 A 56 LYS CD C 13 28.634 0.000 A 56 LYS CE C 13 41.798 0.000 A 56 LYS CG C 13 24.528 0.080 A 56 LYS N N 15 123.867 0.053 A 57 LYS H H 1 7.687 0.012 A 57 LYS HA H 1 4.177 0.009 A 57 LYS HBy H 1 1.865 0.011 A 57 LYS HBx H 1 1.688 0.023 A 57 LYS HGx H 1 1.218 0.018 A 57 LYS HGy H 1 1.218 0.018 A 57 LYS CA C 13 58.629 0.127 A 57 LYS CB C 13 32.151 0.113 A 57 LYS CD C 13 28.963 0.000 A 57 LYS CG C 13 24.040 0.141 A 57 LYS N N 15 125.374 0.046 A 58 GLY H H 1 9.071 0.017 A 58 GLY HAy H 1 4.203 0.021 A 58 GLY HAx H 1 3.465 0.021 A 58 GLY CA C 13 45.722 0.116 A 58 GLY N N 15 116.148 0.055 A 59 TYR H H 1 8.043 0.009 A 59 TYR HA H 1 4.205 0.017 A 59 TYR HBy H 1 2.770 0.006 A 59 TYR HBx H 1 2.687 0.001 A 59 TYR HDy H 1 6.269 0.070 A 59 TYR HDx H 1 6.073 0.003 A 59 TYR CA C 13 57.477 0.045 A 59 TYR CB C 13 39.732 0.088 A 59 TYR N N 15 123.618 0.047 A 60 VAL H H 1 7.487 0.018 A 60 VAL HA H 1 3.789 0.020 A 60 VAL HB H 1 1.634 0.018 A 60 VAL HGx% H 1 0.714 0.021 A 60 VAL HGy% H 1 0.416 0.026 A 60 VAL CA C 13 62.081 0.154 A 60 VAL CB C 13 30.686 0.174 A 60 VAL CGy C 13 22.408 0.014 A 60 VAL CGx C 13 21.249 0.083 A 60 VAL N N 15 124.032 0.044 A 61 PHE H H 1 9.088 0.018 A 61 PHE HA H 1 4.544 0.010 A 61 PHE HBx H 1 2.851 0.019 A 61 PHE HBy H 1 2.851 0.019 A 61 PHE HDy H 1 7.501 0.048 A 61 PHE HDx H 1 7.195 0.046 A 61 PHE CA C 13 57.551 0.000 A 61 PHE CB C 13 40.962 0.096 A 61 PHE N N 15 129.195 0.062 A 62 SER H H 1 8.696 0.008 A 62 SER HA H 1 4.713 0.013 A 62 SER HBy H 1 4.437 0.018 A 62 SER HBx H 1 4.065 0.028 A 62 SER CA C 13 56.733 0.000 A 62 SER CB C 13 64.449 0.111 A 62 SER N N 15 119.270 0.042 A 63 ARG H H 1 8.750 0.007 A 63 ARG HA H 1 3.842 0.020 A 63 ARG HBx H 1 1.777 0.025 A 63 ARG HBy H 1 1.777 0.025 A 63 ARG HDx H 1 3.121 0.018 A 63 ARG HDy H 1 3.121 0.018 A 63 ARG HGx H 1 1.466 0.011 A 63 ARG HGy H 1 1.466 0.011 A 63 ARG CA C 13 60.757 0.025 A 63 ARG CB C 13 29.540 0.083 A 63 ARG CD C 13 43.153 0.079 A 63 ARG CG C 13 24.966 0.000 A 63 ARG N N 15 121.353 0.036 A 64 GLU H H 1 8.959 0.008 A 64 GLU HA H 1 3.952 0.022 A 64 GLU HBy H 1 2.046 0.028 A 64 GLU HBx H 1 1.881 0.008 A 64 GLU HGx H 1 2.247 0.018 A 64 GLU HGy H 1 2.247 0.018 A 64 GLU CA C 13 60.278 0.000 A 64 GLU CB C 13 28.451 0.000 A 64 GLU CG C 13 36.691 0.129 A 64 GLU N N 15 118.672 0.063 A 65 SER H H 1 8.127 0.009 A 65 SER HA H 1 4.226 0.004 A 65 SER HBx H 1 4.065 0.000 A 65 SER HBy H 1 4.065 0.000 A 65 SER CA C 13 61.919 0.000 A 65 SER CB C 13 63.134 0.000 A 65 SER N N 15 116.933 0.056 A 66 ILE H H 1 7.891 0.003 A 66 ILE HA H 1 3.304 0.025 A 66 ILE HB H 1 1.866 0.010 A 66 ILE HD1% H 1 0.544 0.018 A 66 ILE HG1y H 1 1.168 0.071 A 66 ILE HG1x H 1 1.009 0.021 A 66 ILE HG2% H 1 0.614 0.027 A 66 ILE CA C 13 64.506 0.279 A 66 ILE CD1 C 13 13.491 0.149 A 66 ILE CG1 C 13 29.208 0.000 A 66 ILE CG2 C 13 18.504 0.074 A 66 ILE N N 15 121.823 0.090 A 67 ALA H H 1 7.887 0.018 A 67 ALA HA H 1 3.796 0.012 A 67 ALA HB% H 1 1.361 0.009 A 67 ALA CA C 13 55.013 0.099 A 67 ALA CB C 13 18.270 0.078 A 67 ALA N N 15 122.245 0.060 A 68 ILE H H 1 7.912 0.020 A 68 ILE HA H 1 3.743 0.020 A 68 ILE HB H 1 1.852 0.017 A 68 ILE HD1% H 1 0.811 0.037 A 68 ILE HG1y H 1 1.631 0.027 A 68 ILE HG1x H 1 1.130 0.023 A 68 ILE HG2% H 1 0.856 0.013 A 68 ILE CA C 13 63.726 0.111 A 68 ILE CB C 13 38.421 0.150 A 68 ILE CD1 C 13 13.215 0.075 A 68 ILE CG1 C 13 29.044 0.114 A 68 ILE CG2 C 13 17.228 0.098 A 68 ILE N N 15 117.692 0.045 A 69 GLU H H 1 7.805 0.010 A 69 GLU HA H 1 4.140 0.015 A 69 GLU HBy H 1 2.107 0.011 A 69 GLU HBx H 1 1.734 0.014 A 69 GLU HGx H 1 2.275 0.023 A 69 GLU HGy H 1 2.275 0.023 A 69 GLU CA C 13 57.197 0.000 A 69 GLU CB C 13 30.675 0.000 A 69 GLU CG C 13 35.794 0.092 A 69 GLU N N 15 118.830 0.037 A 70 SER H H 1 7.332 0.011 A 70 SER HA H 1 4.397 0.014 A 70 SER HBy H 1 3.816 0.024 A 70 SER HBx H 1 3.695 0.042 A 70 SER CA C 13 57.906 0.000 A 70 SER CB C 13 63.489 0.028 A 70 SER N N 15 115.347 0.049 A 71 GLU H H 1 8.713 0.006 A 71 GLU HA H 1 3.997 0.033 A 71 GLU HBx H 1 1.978 0.009 A 71 GLU HBy H 1 1.978 0.009 A 71 GLU HGx H 1 2.196 0.005 A 71 GLU HGy H 1 2.196 0.005 A 71 GLU CA C 13 58.607 0.000 A 71 GLU CB C 13 29.830 0.152 A 71 GLU CG C 13 36.154 0.109 A 71 GLU N N 15 128.150 0.062 A 72 SER H H 1 9.799 0.021 A 72 SER HA H 1 4.239 0.009 A 72 SER HBx H 1 3.719 0.021 A 72 SER HBy H 1 3.719 0.021 A 72 SER CA C 13 59.810 0.072 A 72 SER CB C 13 63.024 0.061 A 72 SER N N 15 116.680 0.056 A 73 ILE H H 1 7.287 0.022 A 73 ILE HA H 1 4.039 0.015 A 73 ILE HB H 1 1.780 0.020 A 73 ILE HD1% H 1 0.627 0.019 A 73 ILE HG1y H 1 1.293 0.022 A 73 ILE HG1x H 1 0.993 0.022 A 73 ILE HG2% H 1 0.703 0.016 A 73 ILE CA C 13 59.647 0.066 A 73 ILE CB C 13 38.103 0.217 A 73 ILE CD1 C 13 12.556 0.095 A 73 ILE CG1 C 13 26.920 0.077 A 73 ILE CG2 C 13 17.070 0.063 A 73 ILE N N 15 122.183 0.055 A 74 ASN H H 1 8.473 0.027 A 74 ASN N N 15 126.509 0.077 A 75 PRO HA H 1 4.176 0.015 A 75 PRO HBy H 1 2.225 0.011 A 75 PRO HBx H 1 1.929 0.011 A 75 PRO HDx H 1 3.793 0.040 A 75 PRO HDy H 1 3.793 0.040 A 75 PRO HGx H 1 1.915 0.007 A 75 PRO HGy H 1 1.915 0.007 A 75 PRO CA C 13 64.479 0.000 A 75 PRO CB C 13 32.123 0.138 A 75 PRO CG C 13 27.293 0.012 A 76 GLU H H 1 8.277 0.024 A 76 GLU HA H 1 4.205 0.009 A 76 GLU HBy H 1 2.029 0.008 A 76 GLU HBx H 1 1.847 0.018 A 76 GLU HGx H 1 2.175 0.003 A 76 GLU HGy H 1 2.175 0.003 A 76 GLU CA C 13 56.665 0.120 A 76 GLU CB C 13 29.354 0.057 A 76 GLU CG C 13 36.232 0.118 A 76 GLU N N 15 118.080 0.047 A 77 SER H H 1 7.892 0.006 A 77 SER HA H 1 4.365 0.031 A 77 SER HBx H 1 3.816 0.015 A 77 SER HBy H 1 3.816 0.015 A 77 SER CA C 13 58.579 0.099 A 77 SER CB C 13 63.660 0.000 A 77 SER N N 15 116.306 0.046 A 78 SER H H 1 8.179 0.012 A 78 SER HA H 1 4.231 0.015 A 78 SER HBx H 1 3.900 0.030 A 78 SER HBy H 1 3.900 0.030 A 78 SER CA C 13 59.129 0.051 A 78 SER CB C 13 63.541 0.055 A 78 SER N N 15 118.281 0.062 A 79 ASN H H 1 8.635 0.029 A 79 ASN HA H 1 4.315 0.028 A 79 ASN HBx H 1 2.746 0.026 A 79 ASN HBy H 1 2.746 0.026 A 79 ASN CA C 13 55.699 0.136 A 79 ASN CB C 13 37.369 0.146 A 79 ASN N N 15 121.705 0.125 A 80 LYS H H 1 8.003 0.021 A 80 LYS HA H 1 4.170 0.018 A 80 LYS HBx H 1 1.756 0.021 A 80 LYS HBy H 1 1.756 0.021 A 80 LYS HGx H 1 1.385 0.034 A 80 LYS HGy H 1 1.385 0.034 A 80 LYS CA C 13 57.773 0.150 A 80 LYS CB C 13 32.438 0.137 A 80 LYS CD C 13 28.672 0.000 A 80 LYS CE C 13 42.210 0.000 A 80 LYS CG C 13 24.750 0.137 A 80 LYS N N 15 119.824 0.044 A 81 SER H H 1 8.014 0.006 A 81 SER HA H 1 4.135 0.026 A 81 SER HBx H 1 3.874 0.039 A 81 SER HBy H 1 3.874 0.039 A 81 SER CA C 13 60.698 0.001 A 81 SER CB C 13 62.927 0.070 A 81 SER N N 15 115.686 0.044 A 82 ILE H H 1 7.894 0.010 A 82 ILE HA H 1 3.525 0.013 A 82 ILE HB H 1 2.003 0.048 A 82 ILE HD1% H 1 0.734 0.044 A 82 ILE HG1y H 1 1.588 0.025 A 82 ILE HG1x H 1 1.218 0.016 A 82 ILE HG2% H 1 0.807 0.012 A 82 ILE CA C 13 63.819 0.097 A 82 ILE CB C 13 36.766 0.182 A 82 ILE CD1 C 13 12.695 0.058 A 82 ILE CG1 C 13 28.654 0.141 A 82 ILE CG2 C 13 17.549 0.114 A 82 ILE N N 15 122.381 0.078 A 83 ASP H H 1 7.958 0.014 A 83 ASP HA H 1 4.158 0.026 A 83 ASP HBy H 1 2.762 0.006 A 83 ASP HBx H 1 2.640 0.019 A 83 ASP CA C 13 57.905 0.103 A 83 ASP CB C 13 39.742 0.150 A 83 ASP N N 15 120.403 0.099 A 84 VAL H H 1 7.808 0.022 A 84 VAL HA H 1 3.635 0.025 A 84 VAL HB H 1 2.126 0.017 A 84 VAL HGx% H 1 1.002 0.011 A 84 VAL HGy% H 1 0.849 0.017 A 84 VAL CA C 13 66.010 0.113 A 84 VAL CB C 13 31.737 0.090 A 84 VAL CGy C 13 22.397 0.106 A 84 VAL CGx C 13 20.723 0.091 A 84 VAL N N 15 121.909 0.043 A 85 ILE H H 1 7.699 0.010 A 85 ILE HA H 1 3.577 0.015 A 85 ILE HB H 1 1.683 0.040 A 85 ILE HD1% H 1 0.614 0.015 A 85 ILE HG1y H 1 1.610 0.016 A 85 ILE HG1x H 1 0.995 0.029 A 85 ILE HG2% H 1 0.703 0.015 A 85 ILE CA C 13 64.875 0.153 A 85 ILE CB C 13 37.605 0.000 A 85 ILE CD1 C 13 13.919 0.076 A 85 ILE CG1 C 13 28.464 0.000 A 85 ILE CG2 C 13 18.523 0.156 A 85 ILE N N 15 122.944 0.048 A 86 ILE H H 1 8.460 0.013 A 86 ILE HA H 1 3.420 0.015 A 86 ILE HB H 1 1.793 0.017 A 86 ILE HD1% H 1 0.267 0.034 A 86 ILE HG1y H 1 0.984 0.018 A 86 ILE HG1x H 1 0.344 0.036 A 86 ILE HG2% H 1 0.273 0.011 A 86 ILE CA C 13 62.727 0.149 A 86 ILE CB C 13 34.322 0.107 A 86 ILE CD1 C 13 9.169 0.000 A 86 ILE CG1 C 13 26.967 0.119 A 86 ILE CG2 C 13 16.135 0.035 A 86 ILE N N 15 121.357 0.051 A 87 GLY H H 1 7.982 0.014 A 87 GLY HAx H 1 3.857 0.037 A 87 GLY HAy H 1 3.857 0.037 A 87 GLY CA C 13 47.573 0.000 A 87 GLY N N 15 108.484 0.042 A 88 ARG H H 1 7.765 0.010 A 88 ARG HA H 1 4.031 0.016 A 88 ARG HBy H 1 2.036 0.005 A 88 ARG HBx H 1 1.768 0.046 A 88 ARG HDx H 1 3.120 0.004 A 88 ARG HDy H 1 3.120 0.004 A 88 ARG HGx H 1 3.222 0.000 A 88 ARG HGy H 1 3.222 0.000 A 88 ARG CA C 13 59.151 0.000 A 88 ARG CB C 13 29.624 0.000 A 88 ARG CD C 13 43.174 0.018 A 88 ARG CG C 13 27.627 0.000 A 88 ARG N N 15 124.127 0.024 A 89 LEU H H 1 8.643 0.021 A 89 LEU HA H 1 3.787 0.013 A 89 LEU HBy H 1 1.982 0.010 A 89 LEU HBx H 1 1.118 0.016 A 89 LEU HDx% H 1 0.726 0.022 A 89 LEU HDy% H 1 0.683 0.016 A 89 LEU HG H 1 1.648 0.022 A 89 LEU CA C 13 57.906 0.037 A 89 LEU CB C 13 42.924 0.047 A 89 LEU CDx C 13 24.764 0.055 A 89 LEU CDy C 13 25.195 0.045 A 89 LEU CG C 13 27.398 0.174 A 89 LEU N N 15 121.248 0.052 A 90 ARG H H 1 8.914 0.007 A 90 ARG HA H 1 3.995 0.013 A 90 ARG HBy H 1 2.109 0.026 A 90 ARG HBx H 1 1.677 0.021 A 90 ARG HDx H 1 3.717 0.000 A 90 ARG HDy H 1 3.717 0.000 A 90 ARG CA C 13 60.275 0.011 A 90 ARG CB C 13 31.152 0.058 A 90 ARG CD C 13 44.099 0.000 A 90 ARG CG C 13 29.478 0.000 A 90 ARG N N 15 118.266 0.053 A 91 SER H H 1 7.879 0.012 A 91 SER HA H 1 4.038 0.023 A 91 SER CA C 13 62.017 0.189 A 91 SER CB C 13 62.760 0.000 A 91 SER N N 15 114.648 0.053 A 92 LYS H H 1 7.391 0.008 A 92 LYS HA H 1 4.260 0.010 A 92 LYS HBy H 1 1.755 0.012 A 92 LYS HBx H 1 1.622 0.003 A 92 LYS HGx H 1 1.298 0.012 A 92 LYS HGy H 1 1.298 0.012 A 92 LYS CA C 13 58.566 0.000 A 92 LYS CB C 13 34.222 0.000 A 92 LYS CD C 13 30.019 0.000 A 92 LYS CG C 13 26.672 0.204 A 92 LYS N N 15 120.005 0.045 A 93 ILE H H 1 7.598 0.012 A 93 ILE HA H 1 4.363 0.018 A 93 ILE HB H 1 1.906 0.021 A 93 ILE HD1% H 1 0.696 0.013 A 93 ILE HG1y H 1 1.409 0.019 A 93 ILE HG1x H 1 1.239 0.021 A 93 ILE HG2% H 1 0.802 0.021 A 93 ILE CA C 13 62.249 0.130 A 93 ILE CB C 13 40.625 0.077 A 93 ILE CD1 C 13 14.569 0.124 A 93 ILE CG1 C 13 26.958 0.131 A 93 ILE CG2 C 13 17.377 0.052 A 93 ILE N N 15 112.821 0.046 A 94 GLU H H 1 8.227 0.007 A 94 GLU HA H 1 4.665 0.023 A 94 GLU HBy H 1 1.845 0.013 A 94 GLU HBx H 1 1.642 0.030 A 94 GLU CA C 13 54.816 0.000 A 94 GLU CB C 13 29.287 0.142 A 94 GLU CG C 13 36.433 0.000 A 94 GLU N N 15 118.040 0.056 A 95 LYS H H 1 9.055 0.013 A 95 LYS HA H 1 4.040 0.012 A 95 LYS HBx H 1 1.738 0.024 A 95 LYS HBy H 1 1.738 0.024 A 95 LYS HEx H 1 2.943 0.034 A 95 LYS HEy H 1 2.943 0.034 A 95 LYS HGx H 1 1.433 0.009 A 95 LYS HGy H 1 1.433 0.009 A 95 LYS CA C 13 58.751 0.000 A 95 LYS CB C 13 31.781 0.021 A 95 LYS CD C 13 28.732 0.000 A 95 LYS CE C 13 41.912 0.000 A 95 LYS CG C 13 24.955 0.179 A 95 LYS N N 15 124.462 0.055 A 96 ASN H H 1 8.429 0.008 A 96 ASN N N 15 113.853 0.069 A 97 PRO HA H 1 3.713 0.017 A 97 PRO HBx H 1 2.001 0.025 A 97 PRO HBy H 1 2.001 0.025 A 97 PRO CA C 13 64.822 0.043 A 97 PRO CB C 13 32.442 0.060 A 97 PRO CG C 13 27.437 0.000 A 98 LYS H H 1 7.382 0.006 A 98 LYS HA H 1 4.136 0.013 A 98 LYS HBy H 1 1.906 0.033 A 98 LYS HBx H 1 1.752 0.030 A 98 LYS HEx H 1 2.915 0.014 A 98 LYS HEy H 1 2.915 0.014 A 98 LYS HGx H 1 1.359 0.026 A 98 LYS HGy H 1 1.359 0.026 A 98 LYS CA C 13 56.778 0.078 A 98 LYS CB C 13 32.327 0.000 A 98 LYS CD C 13 28.498 0.000 A 98 LYS CE C 13 42.003 0.099 A 98 LYS CG C 13 25.054 0.272 A 98 LYS N N 15 113.510 0.034 A 99 GLN H H 1 7.610 0.006 A 99 GLN N N 15 119.811 0.060 A 100 PRO HA H 1 3.979 0.033 A 100 PRO HBx H 1 2.019 0.014 A 100 PRO HBy H 1 2.019 0.014 A 100 PRO CA C 13 63.697 0.066 A 100 PRO CB C 13 33.024 0.086 A 100 PRO CG C 13 27.434 0.000 A 101 GLN H H 1 10.011 0.017 A 101 GLN HA H 1 4.260 0.015 A 101 GLN HBy H 1 1.686 0.011 A 101 GLN HBx H 1 1.484 0.021 A 101 GLN HGx H 1 2.014 0.018 A 101 GLN HGy H 1 2.014 0.018 A 101 GLN CA C 13 55.598 0.118 A 101 GLN CB C 13 32.017 0.135 A 101 GLN CG C 13 33.489 0.139 A 101 GLN N N 15 120.579 0.040 A 102 TYR H H 1 9.974 0.007 A 102 TYR HA H 1 5.541 0.012 A 102 TYR HBx H 1 3.026 0.033 A 102 TYR HBy H 1 3.026 0.033 A 102 TYR HDy H 1 7.539 0.000 A 102 TYR HDx H 1 7.281 0.002 A 102 TYR CA C 13 59.054 0.050 A 102 TYR CB C 13 39.259 0.072 A 102 TYR N N 15 122.517 0.055 A 103 ILE H H 1 8.755 0.017 A 103 ILE HA H 1 4.556 0.015 A 103 ILE HB H 1 1.713 0.021 A 103 ILE HD1% H 1 0.573 0.056 A 103 ILE HG1y H 1 1.654 0.022 A 103 ILE HG1x H 1 1.635 0.024 A 103 ILE HG2% H 1 0.579 0.036 A 103 ILE CA C 13 60.405 0.146 A 103 ILE CB C 13 37.185 0.054 A 103 ILE CD1 C 13 14.157 0.000 A 103 ILE CG1 C 13 28.052 0.105 A 103 ILE CG2 C 13 17.590 0.091 A 103 ILE N N 15 118.207 0.037 A 104 ILE H H 1 9.141 0.166 A 104 ILE HA H 1 4.199 0.013 A 104 ILE HB H 1 1.720 0.011 A 104 ILE HD1% H 1 0.743 0.024 A 104 ILE HG1y H 1 1.290 0.027 A 104 ILE HG1x H 1 1.132 0.023 A 104 ILE HG2% H 1 0.742 0.016 A 104 ILE CA C 13 58.592 0.116 A 104 ILE CB C 13 39.266 0.075 A 104 ILE CD1 C 13 10.152 0.000 A 104 ILE CG1 C 13 26.628 0.078 A 104 ILE CG2 C 13 17.148 0.102 A 104 ILE N N 15 131.354 2.366 A 105 SER H H 1 9.048 0.018 A 105 SER HA H 1 4.404 0.011 A 105 SER HBx H 1 3.738 0.015 A 105 SER HBy H 1 3.738 0.015 A 105 SER CA C 13 58.231 0.133 A 105 SER CB C 13 63.618 0.044 A 105 SER N N 15 122.876 0.061 A 106 VAL H H 1 8.199 0.032 A 106 VAL HA H 1 3.954 0.011 A 106 VAL HB H 1 1.385 0.017 A 106 VAL HGx% H 1 0.710 0.019 A 106 VAL HGy% H 1 0.641 0.016 A 106 VAL CA C 13 61.480 0.082 A 106 VAL CB C 13 31.367 0.183 A 106 VAL CGy C 13 20.785 0.062 A 106 VAL CGx C 13 20.037 0.176 A 106 VAL N N 15 128.189 0.049 A 107 ARG H H 1 8.583 0.017 A 107 ARG HA H 1 4.507 0.006 A 107 ARG HBx H 1 2.988 0.028 A 107 ARG HBy H 1 2.988 0.028 A 107 ARG CA C 13 56.296 0.151 A 107 ARG CB C 13 30.158 0.076 A 107 ARG N N 15 127.291 0.079 A 108 GLY H H 1 8.400 0.019 A 108 GLY HAy H 1 4.005 0.017 A 108 GLY HAx H 1 3.735 0.017 A 108 GLY CA C 13 45.282 0.071 A 108 GLY N N 15 111.591 0.041 A 109 ILE H H 1 8.034 0.017 A 109 ILE HA H 1 4.227 0.016 A 109 ILE HB H 1 1.477 0.012 A 109 ILE HD1% H 1 0.635 0.020 A 109 ILE HG1y H 1 1.230 0.018 A 109 ILE HG1x H 1 0.915 0.021 A 109 ILE HG2% H 1 0.647 0.024 A 109 ILE CA C 13 61.965 0.094 A 109 ILE CB C 13 40.380 0.071 A 109 ILE CD1 C 13 12.773 0.329 A 109 ILE CG1 C 13 26.582 0.027 A 109 ILE CG2 C 13 17.636 0.127 A 109 ILE N N 15 117.755 0.034 A 110 GLY H H 1 7.447 0.014 A 110 GLY HAy H 1 4.417 0.015 A 110 GLY HAx H 1 3.355 0.019 A 110 GLY CA C 13 45.977 0.067 A 110 GLY N N 15 106.805 0.046 A 111 TYR H H 1 8.739 0.020 A 111 TYR HA H 1 5.517 0.009 A 111 TYR HBy H 1 2.725 0.015 A 111 TYR HBx H 1 2.212 0.011 A 111 TYR HDy H 1 6.714 0.031 A 111 TYR HDx H 1 6.445 0.042 A 111 TYR CA C 13 57.042 0.080 A 111 TYR CB C 13 44.241 0.049 A 111 TYR N N 15 122.743 0.043 A 112 LYS H H 1 8.815 0.007 A 112 LYS HA H 1 5.127 0.007 A 112 LYS HBy H 1 1.446 0.015 A 112 LYS HBx H 1 1.325 0.023 A 112 LYS HEx H 1 2.527 0.009 A 112 LYS HEy H 1 2.527 0.009 A 112 LYS HGx H 1 0.942 0.018 A 112 LYS HGy H 1 0.942 0.018 A 112 LYS CA C 13 53.957 0.015 A 112 LYS CB C 13 38.167 0.122 A 112 LYS CD C 13 29.724 0.000 A 112 LYS CE C 13 42.207 0.000 A 112 LYS CG C 13 24.102 0.141 A 112 LYS N N 15 117.169 0.048 A 113 LEU H H 1 9.457 0.023 A 113 LEU HA H 1 5.579 0.011 A 113 LEU HBy H 1 1.682 0.015 A 113 LEU HBx H 1 1.099 0.019 A 113 LEU HDx% H 1 0.571 0.018 A 113 LEU HDy% H 1 0.452 0.038 A 113 LEU HG H 1 1.452 0.017 A 113 LEU CA C 13 52.761 0.072 A 113 LEU CB C 13 45.980 0.042 A 113 LEU CDx C 13 24.923 0.065 A 113 LEU CDy C 13 24.938 0.000 A 113 LEU CG C 13 27.814 0.122 A 113 LEU N N 15 125.085 0.048 A 114 GLU H H 1 9.371 0.019 A 114 GLU HA H 1 4.600 0.020 A 114 GLU HBy H 1 2.027 0.005 A 114 GLU HBx H 1 1.744 0.019 A 114 GLU HGx H 1 2.113 0.005 A 114 GLU HGy H 1 2.113 0.005 A 114 GLU CA C 13 55.043 0.108 A 114 GLU CB C 13 33.200 0.081 A 114 GLU CG C 13 35.970 0.042 A 114 GLU N N 15 127.920 0.054 A 115 TYR H H 1 7.094 0.006 A 115 TYR N N 15 120.668 0.050 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 31 ARG HA A 47 TYR HDx 1.0 . 5.50 2 2 A 39 LYS HDx A 97 PRO HBx 1.0 . 7.29 3 2 A 39 LYS HDy A 97 PRO HBx 1.0 . 7.29 4 2 A 97 PRO HBy A 39 LYS HDx 1.0 . 7.29 5 2 A 39 LYS HDy A 97 PRO HBy 1.0 . 7.29 6 3 A 29 ASP H A 29 ASP HBx 1.0 . 3.30 7 4 A 28 LYS HA A 32 GLU H 1.0 . 4.48 8 5 A 36 HIS H A 101 GLN HGx 1.0 . 6.39 9 5 A 36 HIS H A 101 GLN HGy 1.0 . 6.39 10 6 A 27 ASP HBy A 30 SER HBy 1.0 . 5.19 11 6 A 27 ASP HBx A 30 SER HBy 1.0 . 5.19 12 6 A 30 SER HBx A 27 ASP HBx 1.0 . 5.19 13 6 A 27 ASP HBy A 30 SER HBx 1.0 . 5.19 14 7 A 29 ASP H A 29 ASP HBx 1.0 . 2.86 15 7 A 29 ASP H A 29 ASP HBy 1.0 . 2.86 16 8 A 32 GLU HBx A 34 TYR HBx 1.0 . 4.76 17 8 A 32 GLU HBy A 34 TYR HBx 1.0 . 4.76 18 8 A 34 TYR HBy A 32 GLU HBx 1.0 . 4.76 19 8 A 32 GLU HBy A 34 TYR HBy 1.0 . 4.76 20 9 A 33 VAL H A 34 TYR HBx 1.0 . 4.76 21 9 A 34 TYR HBy A 33 VAL H 1.0 . 4.76 22 10 A 63 ARG H A 110 GLY HAx 1.0 . 3.54 23 10 A 63 ARG H A 110 GLY HAy 1.0 . 3.54 24 11 A 34 TYR HDx A 25 ARG HDx 1.0 . 6.39 25 11 A 25 ARG HDy A 34 TYR HDx 1.0 . 6.39 26 12 A 34 TYR HDy A 25 ARG HDx 1.0 . 6.39 27 12 A 25 ARG HDy A 34 TYR HDy 1.0 . 6.39 28 13 A 34 TYR HDx A 39 LYS HBx 1.0 . 5.50 29 14 A 34 TYR HDy A 36 HIS HA 1.0 . 5.50 30 15 A 24 PHE HDy A 26 VAL HB 1.0 . 5.50 31 16 A 39 LYS HDx A 92 LYS HGx 1.0 . 7.28 32 16 A 39 LYS HDy A 92 LYS HGx 1.0 . 7.28 33 16 A 92 LYS HGy A 39 LYS HDx 1.0 . 7.28 34 16 A 39 LYS HDy A 92 LYS HGy 1.0 . 7.28 35 17 A 109 ILE HA A 63 ARG HBx 1.0 . 6.39 36 17 A 63 ARG HBy A 109 ILE HA 1.0 . 6.39 37 18 A 21 ALA HB% A 51 SER HA 1.0 . 6.53 38 19 A 26 VAL HB A 21 ALA HB% 1.0 . 6.53 39 20 A 31 ARG HA A 30 SER H 1.0 . 4.17 40 21 A 19 GLY H A 20 ASP H 1.0 . 4.11 41 22 A 60 VAL HA A 111 TYR H 1.0 . 4.42 42 23 A 63 ARG H A 110 GLY HAy 1.0 . 4.42 43 24 A 63 ARG H A 110 GLY HAx 1.0 . 4.42 44 25 A 34 TYR H A 24 PHE HBx 1.0 . 5.50 45 26 A 26 VAL HB A 19 GLY H 1.0 . 5.50 46 27 A 35 MET HE% A 23 ILE HG1x 1.0 . 6.30 47 27 A 23 ILE HG1y A 35 MET HE% 1.0 . 6.30 48 28 A 24 PHE HDx A 26 VAL HGx% 1.0 . 6.43 49 28 A 24 PHE HDx A 26 VAL HGy% 1.0 . 6.43 50 29 A 38 LYS HGy A 103 ILE HG1x 1.0 . 6.17 51 29 A 38 LYS HGx A 103 ILE HG1x 1.0 . 6.17 52 29 A 103 ILE HG1y A 38 LYS HGx 1.0 . 6.17 53 29 A 38 LYS HGy A 103 ILE HG1y 1.0 . 6.17 54 30 A 51 SER H A 49 ILE HG1x 1.0 . 4.88 55 30 A 49 ILE HG1y A 51 SER H 1.0 . 4.88 56 31 A 52 LEU H A 69 GLU HBx 1.0 . 4.97 57 31 A 52 LEU H A 69 GLU HBy 1.0 . 4.97 58 32 A 60 VAL HGx% A 109 ILE HG1x 1.0 . 6.20 59 32 A 60 VAL HGy% A 109 ILE HG1x 1.0 . 6.20 60 32 A 109 ILE HG1y A 60 VAL HGx% 1.0 . 6.20 61 32 A 60 VAL HGy% A 109 ILE HG1y 1.0 . 6.20 62 33 A 68 ILE H A 69 GLU HBx 1.0 . 3.88 63 33 A 69 GLU HBy A 68 ILE H 1.0 . 3.88 64 34 A 86 ILE HG1y A 111 TYR HBx 1.0 . 4.76 65 34 A 86 ILE HG1x A 111 TYR HBx 1.0 . 4.76 66 34 A 111 TYR HBy A 86 ILE HG1x 1.0 . 4.76 67 34 A 86 ILE HG1y A 111 TYR HBy 1.0 . 4.76 68 35 A 104 ILE HG1x A 112 LYS HBy 1.0 . 4.76 69 35 A 104 ILE HG1y A 112 LYS HBy 1.0 . 4.76 70 35 A 112 LYS HBx A 104 ILE HG1x 1.0 . 4.76 71 35 A 104 ILE HG1y A 112 LYS HBx 1.0 . 4.76 72 36 A 113 LEU H A 111 TYR HBx 1.0 . 5.20 73 36 A 111 TYR HBy A 113 LEU H 1.0 . 5.20 74 37 A 111 TYR HDy A 113 LEU HDy% 1.0 . 6.43 75 37 A 111 TYR HDy A 113 LEU HDx% 1.0 . 6.43 76 38 A 111 TYR HDx A 113 LEU HDy% 1.0 . 6.43 77 38 A 113 LEU HDx% A 111 TYR HDx 1.0 . 6.43 78 39 A 40 LEU HA A 89 LEU HA 1.0 . 5.50 79 40 A 34 TYR HDx A 39 LYS HBy 1.0 . 5.50 80 41 A 89 LEU HG A 46 GLU HGx 1.0 . 6.39 81 41 A 46 GLU HGy A 89 LEU HG 1.0 . 6.39 82 42 A 24 PHE HDy A 35 MET HGx 1.0 . 6.39 83 42 A 24 PHE HDy A 35 MET HGy 1.0 . 6.39 84 43 A 24 PHE HDx A 35 MET HGx 1.0 . 6.39 85 43 A 24 PHE HDx A 35 MET HGy 1.0 . 6.39 86 44 A 24 PHE HDx A 35 MET HA 1.0 . 5.50 87 45 A 24 PHE HDx A 51 SER HBx 1.0 . 6.39 88 45 A 24 PHE HDx A 51 SER HBy 1.0 . 6.39 89 46 A 31 ARG HGx A 42 LEU HBx 1.0 . 7.28 90 46 A 42 LEU HBy A 31 ARG HGx 1.0 . 7.28 91 46 A 31 ARG HGy A 42 LEU HBy 1.0 . 7.28 92 46 A 31 ARG HGy A 42 LEU HBx 1.0 . 7.28 93 47 A 73 ILE H A 81 SER HBx 1.0 . 6.39 94 47 A 73 ILE H A 81 SER HBy 1.0 . 6.39 95 48 A 86 ILE HG2% A 103 ILE HD1% 1.0 . 7.56 96 49 A 103 ILE HG2% A 111 TYR HBx 1.0 . 6.53 97 50 A 61 PHE HDx A 66 ILE HG2% 1.0 . 6.53 98 51 A 29 ASP H A 30 SER H 1.0 . 2.93 99 52 A 38 LYS H A 39 LYS H 1.0 . 4.14 100 53 A 34 TYR H A 24 PHE HA 1.0 . 4.94 101 54 A 113 LEU H A 61 PHE H 1.0 . 4.48 102 55 A 35 MET HA A 37 GLU H 1.0 . 4.69 103 56 A 55 SER H A 54 ILE HG1y 1.0 . 4.72 104 57 A 113 LEU H A 60 VAL HB 1.0 . 5.50 105 58 A 67 ALA HB% A 81 SER H 1.0 . 6.53 106 59 A 24 PHE HDx A 33 VAL HG11 1.0 . 6.43 107 59 A 24 PHE HDx A 33 VAL HGy% 1.0 . 6.43 108 60 A 51 SER HA A 26 VAL HGx% 1.0 . 6.43 109 60 A 51 SER HA A 26 VAL HGy% 1.0 . 6.43 110 61 A 31 ARG HGx A 47 TYR HBx 1.0 . 6.17 111 61 A 31 ARG HGy A 47 TYR HBx 1.0 . 6.17 112 61 A 47 TYR HBy A 31 ARG HGx 1.0 . 6.17 113 61 A 31 ARG HGy A 47 TYR HBy 1.0 . 6.17 114 62 A 103 ILE HD1% A 35 MET HBx 1.0 . 6.30 115 62 A 103 ILE HD1% A 35 MET HBy 1.0 . 6.30 116 63 A 35 MET HGx A 101 GLN HBx 1.0 . 6.17 117 63 A 35 MET HGy A 101 GLN HBx 1.0 . 6.17 118 63 A 101 GLN HBy A 35 MET HGx 1.0 . 6.17 119 63 A 35 MET HGy A 101 GLN HBy 1.0 . 6.17 120 64 A 49 ILE HG1y A 61 PHE HBx 1.0 . 6.17 121 64 A 61 PHE HBy A 49 ILE HG1x 1.0 . 6.17 122 64 A 49 ILE HG1y A 61 PHE HBy 1.0 . 6.17 123 64 A 49 ILE HG1x A 61 PHE HBx 1.0 . 6.17 124 65 A 53 LEU HDx% A 111 TYR HBx 1.0 . 5.73 125 65 A 111 TYR HBy A 53 LEU HDy% 1.0 . 5.73 126 65 A 111 TYR HBy A 53 LEU HDx% 1.0 . 5.73 127 65 A 53 LEU HDy% A 111 TYR HBx 1.0 . 5.73 128 66 A 61 PHE HDy A 113 LEU HDy% 1.0 . 6.43 129 66 A 113 LEU HDx% A 61 PHE HDy 1.0 . 6.43 130 67 A 61 PHE HDx A 113 LEU HDy% 1.0 . 6.43 131 67 A 113 LEU HDx% A 61 PHE HDx 1.0 . 6.43 132 68 A 66 ILE HG2% A 86 ILE HG1x 1.0 . 6.30 133 68 A 86 ILE HG1y A 66 ILE HG2% 1.0 . 6.30 134 69 A 82 ILE HG1y A 86 ILE HG1x 1.0 . 4.76 135 69 A 86 ILE HG1y A 82 ILE HG1x 1.0 . 4.76 136 69 A 86 ILE HG1y A 82 ILE HG1y 1.0 . 4.76 137 69 A 82 ILE HG1x A 86 ILE HG1x 1.0 . 4.76 138 70 A 89 LEU HDx% A 111 TYR HBx 1.0 . 5.73 139 70 A 89 LEU HDy% A 111 TYR HBx 1.0 . 5.73 140 70 A 111 TYR HBy A 89 LEU HDy% 1.0 . 5.73 141 70 A 111 TYR HBy A 89 LEU HDx% 1.0 . 5.73 142 71 A 40 LEU HBy A 41 ASP H 1.0 . 5.50 143 72 A 41 ASP H A 40 LEU HBx 1.0 . 5.50 144 73 A 49 ILE HA A 69 GLU H 1.0 . 5.50 145 74 A 83 ASP H A 84 VAL HA 1.0 . 5.50 146 75 A 84 VAL H A 85 ILE HA 1.0 . 5.50 147 76 A 106 VAL HB A 110 GLY H 1.0 . 5.50 148 77 A 89 LEU HA A 86 ILE HA 1.0 . 5.50 149 78 A 29 ASP HA A 28 LYS HBx 1.0 . 6.39 150 78 A 28 LYS HBy A 29 ASP HA 1.0 . 6.39 151 79 A 45 ALA HA A 48 GLU HA 1.0 . 5.50 152 80 A 52 LEU HA A 55 SER HA 1.0 . 5.50 153 81 A 51 SER HA A 55 SER HBx 1.0 . 6.39 154 81 A 51 SER HA A 55 SER HBy 1.0 . 6.39 155 82 A 36 HIS HA A 24 PHE HA 1.0 . 5.50 156 83 A 79 ASN H A 80 LYS HA 1.0 . 5.50 157 84 A 85 ILE HA A 81 SER HBx 1.0 . 6.39 158 84 A 81 SER HBy A 85 ILE HA 1.0 . 6.39 159 85 A 92 LYS HGx A 95 LYS HEx 1.0 . 7.28 160 85 A 92 LYS HGy A 95 LYS HEx 1.0 . 7.28 161 85 A 95 LYS HEy A 92 LYS HGx 1.0 . 7.28 162 85 A 92 LYS HGy A 95 LYS HEy 1.0 . 7.28 163 86 A 31 ARG HGx A 44 ARG HGx 1.0 . 7.28 164 86 A 44 ARG HGy A 31 ARG HGx 1.0 . 7.28 165 86 A 31 ARG HGy A 44 ARG HGy 1.0 . 7.28 166 86 A 31 ARG HGy A 44 ARG HGx 1.0 . 7.28 167 87 A 106 VAL HB A 105 SER HBx 1.0 . 6.39 168 87 A 106 VAL HB A 105 SER HBy 1.0 . 6.39 169 88 A 79 ASN HBy A 80 LYS HGx 1.0 . 7.28 170 88 A 79 ASN HBx A 80 LYS HGx 1.0 . 7.28 171 88 A 80 LYS HGy A 79 ASN HBx 1.0 . 7.28 172 88 A 79 ASN HBy A 80 LYS HGy 1.0 . 7.28 173 89 A 44 ARG HA A 48 GLU HGx 1.0 . 6.39 174 89 A 44 ARG HA A 48 GLU HGy 1.0 . 6.39 175 90 A 78 SER HBy A 80 LYS HGx 1.0 . 7.28 176 90 A 78 SER HBx A 80 LYS HGx 1.0 . 7.28 177 90 A 80 LYS HGy A 78 SER HBx 1.0 . 7.28 178 90 A 80 LYS HGy A 78 SER HBy 1.0 . 7.28 179 91 A 47 TYR HDx A 44 ARG HGx 1.0 . 6.39 180 91 A 47 TYR HDx A 44 ARG HGy 1.0 . 6.39 181 92 A 55 SER HBy A 69 GLU HGx 1.0 . 7.28 182 92 A 69 GLU HGy A 55 SER HBx 1.0 . 7.28 183 92 A 55 SER HBy A 69 GLU HGy 1.0 . 7.28 184 92 A 55 SER HBx A 69 GLU HGx 1.0 . 7.28 185 93 A 36 HIS HA A 35 MET HGx 1.0 . 6.39 186 93 A 36 HIS HA A 35 MET HGy 1.0 . 6.39 187 94 A 102 TYR HBy A 114 GLU HGx 1.0 . 7.27 188 94 A 102 TYR HBx A 114 GLU HGx 1.0 . 7.27 189 94 A 114 GLU HGy A 102 TYR HBx 1.0 . 7.27 190 94 A 102 TYR HBy A 114 GLU HGy 1.0 . 7.27 191 95 A 40 LEU HA A 92 LYS HGx 1.0 . 6.39 192 95 A 92 LYS HGy A 40 LEU HA 1.0 . 6.39 193 96 A 28 LYS HBx A 31 ARG HGx 1.0 . 7.28 194 96 A 28 LYS HBy A 31 ARG HGx 1.0 . 7.28 195 96 A 31 ARG HGy A 28 LYS HBx 1.0 . 7.28 196 96 A 31 ARG HGy A 28 LYS HBy 1.0 . 7.28 197 97 A 54 ILE HB A 24 PHE HBy 1.0 . 5.50 198 98 A 54 ILE HB A 24 PHE HBx 1.0 . 5.50 199 99 A 35 MET HGx A 101 GLN HGx 1.0 . 7.27 200 99 A 35 MET HGy A 101 GLN HGx 1.0 . 7.27 201 99 A 101 GLN HGy A 35 MET HGx 1.0 . 7.27 202 99 A 101 GLN HGy A 35 MET HGy 1.0 . 7.27 203 100 A 53 LEU HG A 56 LYS HEx 1.0 . 6.39 204 100 A 53 LEU HG A 56 LYS HEy 1.0 . 6.39 205 101 A 53 LEU HG A 56 LYS HBx 1.0 . 6.39 206 101 A 53 LEU HG A 56 LYS HBy 1.0 . 6.39 207 102 A 56 LYS HGx A 69 GLU HGx 1.0 . 7.28 208 102 A 56 LYS HGy A 69 GLU HGx 1.0 . 7.28 209 102 A 69 GLU HGy A 56 LYS HGx 1.0 . 7.28 210 102 A 69 GLU HGy A 56 LYS HGy 1.0 . 7.28 211 103 A 51 SER HA A 47 TYR HDy 1.0 . 5.50 212 104 A 24 PHE HDy A 35 MET HA 1.0 . 5.50 213 105 A 24 PHE HDy A 51 SER HBx 1.0 . 6.39 214 105 A 24 PHE HDy A 51 SER HBy 1.0 . 6.39 215 106 A 72 SER HA A 71 GLU HGx 1.0 . 6.39 216 106 A 71 GLU HGy A 72 SER HA 1.0 . 6.39 217 107 A 42 LEU HA A 88 ARG HDx 1.0 . 6.39 218 107 A 42 LEU HA A 88 ARG HDy 1.0 . 6.39 219 108 A 22 ASN HBy A 55 SER HBx 1.0 . 7.28 220 108 A 22 ASN HBx A 55 SER HBx 1.0 . 7.28 221 108 A 55 SER HBy A 22 ASN HBx 1.0 . 7.28 222 108 A 55 SER HBy A 22 ASN HBy 1.0 . 7.28 223 109 A 32 GLU HGx A 39 LYS HEx 1.0 . 7.28 224 109 A 32 GLU HGy A 39 LYS HEx 1.0 . 7.28 225 109 A 39 LYS HEy A 32 GLU HGx 1.0 . 7.28 226 109 A 32 GLU HGy A 39 LYS HEy 1.0 . 7.28 227 110 A 37 GLU H A 35 MET HGx 1.0 . 6.39 228 110 A 35 MET HGy A 37 GLU H 1.0 . 6.39 229 111 A 37 GLU HGx A 101 GLN HGx 1.0 . 7.28 230 111 A 37 GLU HGy A 101 GLN HGx 1.0 . 7.28 231 111 A 101 GLN HGy A 37 GLU HGx 1.0 . 7.28 232 111 A 101 GLN HGy A 37 GLU HGy 1.0 . 7.28 233 112 A 60 VAL HGy% A 62 SER H 1.0 . 6.53 234 113 A 85 ILE HD1% A 86 ILE HB 1.0 . 6.53 235 114 A 86 ILE HG2% A 89 LEU HBy 1.0 . 6.53 236 115 A 111 TYR HDx A 86 ILE HG2% 1.0 . 6.53 237 116 A 111 TYR HDy A 86 ILE HG2% 1.0 . 6.53 238 117 A 93 ILE HG2% A 94 GLU HBx 1.0 . 6.53 239 118 A 49 ILE HG2% A 85 ILE HB 1.0 . 6.53 240 119 A 82 ILE HG1y A 85 ILE HG2% 1.0 . 6.53 241 120 A 93 ILE HG2% A 94 GLU HBy 1.0 . 6.53 242 121 A 89 LEU HDx% A 86 ILE HB 1.0 . 6.53 243 122 A 93 ILE HG2% A 97 PRO HBx 1.0 . 7.42 244 122 A 97 PRO HBy A 93 ILE HG2% 1.0 . 7.42 245 123 A 85 ILE HG2% A 82 ILE HG1x 1.0 . 6.53 246 124 A 86 ILE HG2% A 89 LEU HBx 1.0 . 6.53 247 125 A 89 LEU HA A 86 ILE HG2% 1.0 . 6.53 248 126 A 86 ILE HG2% A 90 ARG HA 1.0 . 6.53 249 127 A 89 LEU HG A 50 LEU HDy% 1.0 . 6.53 250 128 A 82 ILE HG2% A 86 ILE HD1% 1.0 . 7.56 251 129 A 21 ALA HB% A 54 ILE HG2% 1.0 . 7.56 252 130 A 45 ALA HB% A 85 ILE HG1y 1.0 . 6.53 253 131 A 85 ILE HG2% A 45 ALA HB% 1.0 . 7.56 254 132 A 82 ILE HG2% A 63 ARG HGx 1.0 . 7.42 255 132 A 82 ILE HG2% A 63 ARG HGy 1.0 . 7.42 256 133 A 82 ILE HG2% A 63 ARG HDx 1.0 . 7.42 257 133 A 82 ILE HG2% A 63 ARG HDy 1.0 . 7.42 258 134 A 112 LYS HA A 113 LEU HDy% 1.0 . 6.53 259 135 A 59 TYR HDx A 60 VAL HGx% 1.0 . 6.53 260 136 A 54 ILE HG2% A 23 ILE HB 1.0 . 6.53 261 137 A 82 ILE HG1y A 66 ILE HD1% 1.0 . 6.53 262 138 A 66 ILE HD1% A 82 ILE HD1% 1.0 . 7.56 263 139 A 54 ILE HD1% A 50 LEU HDx% 1.0 . 7.56 264 140 A 66 ILE HD1% A 82 ILE HB 1.0 . 6.53 265 141 A 66 ILE HD1% A 82 ILE HG1x 1.0 . 6.53 266 142 A 67 ALA HB% A 80 LYS HBx 1.0 . 7.42 267 142 A 67 ALA HB% A 80 LYS HBy 1.0 . 7.42 268 143 A 113 LEU HDx% A 112 LYS HA 1.0 . 6.53 269 144 A 21 ALA HB% A 55 SER HBx 1.0 . 7.42 270 144 A 21 ALA HB% A 55 SER HBy 1.0 . 7.42 271 145 A 43 THR HG2% A 46 GLU HGx 1.0 . 7.42 272 145 A 46 GLU HGy A 43 THR HG2% 1.0 . 7.42 273 146 A 43 THR HG2% A 46 GLU HBy 1.0 . 6.53 274 147 A 43 THR HG2% A 46 GLU HBx 1.0 . 6.53 275 148 A 43 THR HG2% A 31 ARG HGx 1.0 . 7.42 276 148 A 31 ARG HGy A 43 THR HG2% 1.0 . 7.42 277 149 A 45 ALA HB% A 85 ILE HG1x 1.0 . 6.53 278 150 A 45 ALA HB% A 46 GLU HBx 1.0 . 6.53 279 151 A 45 ALA HB% A 46 GLU HBy 1.0 . 6.53 280 152 A 60 VAL HGy% A 59 TYR HDx 1.0 . 6.53 281 153 A 54 ILE HD1% A 24 PHE H 1.0 . 6.53 282 154 A 54 ILE HD1% A 50 LEU HDy% 1.0 . 7.56 283 155 A 24 PHE HA A 23 ILE HG2% 1.0 . 6.53 284 156 A 66 ILE HD1% A 82 ILE HA 1.0 . 6.53 285 157 A 24 PHE HDy A 21 ALA HB% 1.0 . 6.53 286 158 A 89 LEU HG A 50 LEU HDx% 1.0 . 6.53 287 159 A 82 ILE HD1% A 63 ARG HDx 1.0 . 7.42 288 159 A 63 ARG HDy A 82 ILE HD1% 1.0 . 7.42 289 160 A 82 ILE HD1% A 80 LYS HGx 1.0 . 7.42 290 160 A 80 LYS HGy A 82 ILE HD1% 1.0 . 7.42 291 161 A 82 ILE HD1% A 66 ILE HB 1.0 . 6.53 292 162 A 66 ILE HG2% A 61 PHE HDy 1.0 . 6.53 293 163 A 42 LEU HA A 43 THR HG2% 1.0 . 6.53 294 164 A 36 HIS HA A 23 ILE HG2% 1.0 . 6.53 295 165 A 20 ASP HA A 21 ALA H 1.0 . 2.99 296 166 A 22 ASN H A 23 ILE H 1.0 . 4.20 297 167 A 29 ASP H A 29 ASP HBy 1.0 . 3.30 298 168 A 101 GLN HBy A 102 TYR H 1.0 . 4.38 299 169 A 102 TYR H A 101 GLN HBx 1.0 . 4.38 300 170 A 85 ILE HB A 86 ILE H 1.0 . 3.52 301 171 A 85 ILE HA A 89 LEU H 1.0 . 4.48 302 172 A 52 LEU H A 50 LEU H 1.0 . 4.14 303 173 A 26 VAL HB A 27 ASP H 1.0 . 4.38 304 174 A 27 ASP H A 26 VAL H 1.0 . 4.45 305 175 A 29 ASP H A 27 ASP HA 1.0 . 4.07 306 176 A 114 GLU H A 115 TYR H 1.0 . 4.32 307 177 A 71 GLU H A 70 SER HBx 1.0 . 4.45 308 178 A 105 SER H A 106 VAL H 1.0 . 4.54 309 179 A 84 VAL H A 83 ASP HBy 1.0 . 4.07 310 180 A 84 VAL H A 83 ASP HBx 1.0 . 4.07 311 181 A 111 TYR H A 110 GLY H 1.0 . 4.42 312 182 A 110 GLY HAy A 111 TYR H 1.0 . 3.45 313 183 A 111 TYR H A 110 GLY HAx 1.0 . 3.45 314 184 A 38 LYS H A 39 LYS HA 1.0 . 4.66 315 185 A 80 LYS H A 79 ASN HBx 1.0 . 5.83 316 185 A 79 ASN HBy A 80 LYS H 1.0 . 5.83 317 186 A 83 ASP HA A 87 GLY H 1.0 . 4.63 318 187 A 13 GLU H A 14 GLU HBx 1.0 . 6.08 319 187 A 13 GLU H A 14 GLU HBy 1.0 . 6.08 320 188 A 24 PHE H A 25 ARG H 1.0 . 4.45 321 189 A 26 VAL H A 25 ARG H 1.0 . 4.23 322 190 A 32 GLU H A 33 VAL H 1.0 . 4.51 323 191 A 32 GLU H A 31 ARG H 1.0 . 3.27 324 192 A 52 LEU H A 54 ILE H 1.0 . 4.32 325 193 A 26 VAL H A 26 VAL HA 1.0 . 2.83 326 194 A 15 VAL HB A 16 SER H 1.0 . 4.91 327 195 A 107 ARG H A 105 SER HBx 1.0 . 6.05 328 195 A 105 SER HBy A 107 ARG H 1.0 . 6.05 329 196 A 45 ALA HA A 47 TYR H 1.0 . 4.82 330 197 A 81 SER H A 80 LYS HBx 1.0 . 4.84 331 197 A 81 SER H A 80 LYS HBy 1.0 . 4.84 332 198 A 84 VAL HA A 86 ILE H 1.0 . 4.85 333 199 A 106 VAL H A 112 LYS H 1.0 . 4.48 334 200 A 41 ASP H A 40 LEU H 1.0 . 4.29 335 201 A 111 TYR H A 61 PHE H 1.0 . 3.83 336 202 A 54 ILE H A 56 LYS HBx 1.0 . 5.86 337 202 A 56 LYS HBy A 54 ILE H 1.0 . 5.86 338 203 A 96 ASN H A 95 LYS HBx 1.0 . 4.38 339 203 A 95 LYS HBy A 96 ASN H 1.0 . 4.38 340 204 A 91 SER HA A 95 LYS H 1.0 . 4.63 341 205 A 111 TYR H A 112 LYS HA 1.0 . 5.34 342 206 A 36 HIS H A 38 LYS HBx 1.0 . 6.39 343 206 A 36 HIS H A 38 LYS HBy 1.0 . 6.39 344 207 A 113 LEU H A 59 TYR HA 1.0 . 4.66 345 208 A 36 HIS H A 38 LYS H 1.0 . 4.54 346 209 A 36 HIS H A 24 PHE HA 1.0 . 4.57 347 210 A 76 GLU H A 78 SER HBx 1.0 . 5.43 348 210 A 78 SER HBy A 76 GLU H 1.0 . 5.43 349 211 A 73 ILE H A 74 ASN H 1.0 . 4.38 350 212 A 24 PHE H A 23 ILE HG1x 1.0 . 5.50 351 213 A 114 GLU H A 113 LEU HG 1.0 . 5.41 352 214 A 114 GLU H A 112 LYS HGx 1.0 . 6.39 353 214 A 114 GLU H A 112 LYS HGy 1.0 . 6.39 354 215 A 32 GLU H A 28 LYS HGx 1.0 . 6.39 355 215 A 32 GLU H A 28 LYS HGy 1.0 . 6.39 356 216 A 110 GLY H A 109 ILE HG1x 1.0 . 5.50 357 217 A 109 ILE HG1y A 110 GLY H 1.0 . 5.50 358 218 A 55 SER H A 54 ILE HG1x 1.0 . 4.72 359 219 A 30 SER H A 31 ARG HGx 1.0 . 6.39 360 219 A 30 SER H A 31 ARG HGy 1.0 . 6.39 361 220 A 23 ILE HG1y A 24 PHE H 1.0 . 5.50 362 221 A 29 ASP H A 28 LYS HGx 1.0 . 6.39 363 221 A 29 ASP H A 28 LYS HGy 1.0 . 6.39 364 222 A 38 LYS H A 38 LYS HEx 1.0 . 6.39 365 222 A 38 LYS H A 38 LYS HEy 1.0 . 6.39 366 223 A 67 ALA H A 63 ARG HGx 1.0 . 6.39 367 223 A 63 ARG HGy A 67 ALA H 1.0 . 6.39 368 224 A 68 ILE H A 64 GLU HGx 1.0 . 6.39 369 224 A 68 ILE H A 64 GLU HGy 1.0 . 6.39 370 225 A 81 SER H A 80 LYS HGx 1.0 . 6.39 371 225 A 81 SER H A 80 LYS HGy 1.0 . 6.39 372 226 A 82 ILE HG1y A 83 ASP H 1.0 . 5.50 373 227 A 83 ASP H A 82 ILE HG1x 1.0 . 5.50 374 228 A 35 MET H A 39 LYS HGx 1.0 . 6.39 375 228 A 35 MET H A 39 LYS HGy 1.0 . 6.39 376 229 A 96 ASN H A 95 LYS HGx 1.0 . 6.39 377 229 A 96 ASN H A 95 LYS HGy 1.0 . 6.39 378 230 A 36 HIS H A 35 MET HGx 1.0 . 6.39 379 230 A 36 HIS H A 35 MET HGy 1.0 . 6.39 380 231 A 34 TYR H A 24 PHE HBy 1.0 . 5.50 381 232 A 101 GLN H A 38 LYS HBx 1.0 . 6.39 382 232 A 38 LYS HBy A 101 GLN H 1.0 . 6.39 383 233 A 99 GLN H A 38 LYS HEx 1.0 . 6.39 384 233 A 38 LYS HEy A 99 GLN H 1.0 . 6.39 385 234 A 105 SER H A 104 ILE HG2% 1.0 . 4.98 386 235 A 41 ASP H A 40 LEU HDy% 1.0 . 6.53 387 236 A 41 ASP H A 40 LEU HDx% 1.0 . 6.53 388 237 A 43 THR H A 42 LEU HDx% 1.0 . 6.53 389 238 A 55 SER H A 54 ILE HG2% 1.0 . 6.53 390 239 A 53 LEU HDx% A 56 LYS H 1.0 . 6.53 391 240 A 56 LYS H A 53 LEU HDy% 1.0 . 6.53 392 241 A 85 ILE HD1% A 88 ARG H 1.0 . 6.53 393 242 A 88 ARG H A 84 VAL HGy% 1.0 . 6.53 394 243 A 88 ARG H A 84 VAL HGx% 1.0 . 6.53 395 244 A 85 ILE HD1% A 86 ILE H 1.0 . 6.53 396 245 A 26 VAL HGy% A 27 ASP H 1.0 . 5.63 397 246 A 27 ASP H A 26 VAL HGx% 1.0 . 5.63 398 247 A 85 ILE HG2% A 86 ILE H 1.0 . 6.00 399 248 A 55 SER H A 54 ILE HD1% 1.0 . 6.53 400 249 A 23 ILE H A 23 ILE HD1% 1.0 . 6.53 401 250 A 24 PHE H A 23 ILE HD1% 1.0 . 6.53 402 251 A 111 TYR H A 60 VAL HGy% 1.0 . 6.16 403 252 A 45 ALA HB% A 70 SER H 1.0 . 6.53 404 253 A 62 SER H A 60 VAL HGx% 1.0 . 6.53 405 254 A 85 ILE HD1% A 45 ALA H 1.0 . 6.53 406 255 A 105 SER H A 104 ILE HD1% 1.0 . 4.98 407 256 A 36 HIS H A 35 MET HE% 1.0 . 6.40 408 257 A 111 TYR H A 60 VAL HGx% 1.0 . 6.16 409 258 A 85 ILE HD1% A 47 TYR H 1.0 . 6.53 410 259 A 43 THR H A 42 LEU HDy% 1.0 . 6.53 411 260 A 54 ILE HG2% A 24 PHE H 1.0 . 6.53 412 261 A 47 TYR H A 42 LEU HDx% 1.0 . 6.53 413 262 A 47 TYR H A 42 LEU HDy% 1.0 . 6.53 414 263 A 19 GLY H A 26 VAL HGx% 1.0 . 6.43 415 263 A 19 GLY H A 26 VAL HGy% 1.0 . 6.43 416 264 A 21 ALA HB% A 23 ILE HG1x 1.0 . 6.30 417 264 A 21 ALA HB% A 23 ILE HG1y 1.0 . 6.30 418 265 A 21 ALA HB% A 26 VAL HGx% 1.0 . 7.41 419 265 A 21 ALA HB% A 26 VAL HGy% 1.0 . 7.41 420 266 A 23 ILE H A 23 ILE HG1x 1.0 . 3.95 421 266 A 23 ILE HG1y A 23 ILE H 1.0 . 3.95 422 267 A 23 ILE HG2% A 35 MET HBx 1.0 . 6.30 423 267 A 35 MET HBy A 23 ILE HG2% 1.0 . 6.30 424 268 A 23 ILE HG2% A 54 ILE HG1x 1.0 . 6.30 425 268 A 23 ILE HG2% A 54 ILE HG1y 1.0 . 6.30 426 269 A 24 PHE H A 23 ILE HG1x 1.0 . 4.80 427 269 A 23 ILE HG1y A 24 PHE H 1.0 . 4.80 428 270 A 24 PHE HBy A 33 VAL HG11 1.0 . 5.73 429 270 A 24 PHE HBx A 33 VAL HG11 1.0 . 5.73 430 270 A 33 VAL HGy% A 24 PHE HBx 1.0 . 5.73 431 270 A 33 VAL HGy% A 24 PHE HBy 1.0 . 5.73 432 271 A 51 SER HA A 24 PHE HBx 1.0 . 5.34 433 271 A 51 SER HA A 24 PHE HBy 1.0 . 5.34 434 272 A 24 PHE HDy A 26 VAL HGx% 1.0 . 6.43 435 272 A 24 PHE HDy A 26 VAL HGy% 1.0 . 6.43 436 273 A 24 PHE HDy A 33 VAL HG11 1.0 . 6.43 437 273 A 24 PHE HDy A 33 VAL HGy% 1.0 . 6.43 438 274 A 25 ARG H A 33 VAL HG11 1.0 . 5.83 439 274 A 33 VAL HGy% A 25 ARG H 1.0 . 5.83 440 275 A 26 VAL HA A 33 VAL HG11 1.0 . 6.43 441 275 A 33 VAL HGy% A 26 VAL HA 1.0 . 6.43 442 276 A 27 ASP H A 26 VAL HGx% 1.0 . 4.70 443 276 A 26 VAL HGy% A 27 ASP H 1.0 . 4.70 444 277 A 28 LYS H A 26 VAL HGx% 1.0 . 6.07 445 277 A 26 VAL HGy% A 28 LYS H 1.0 . 6.07 446 278 A 26 VAL HGx% A 51 SER HBx 1.0 . 7.28 447 278 A 26 VAL HGy% A 51 SER HBx 1.0 . 7.28 448 278 A 51 SER HBy A 26 VAL HGx% 1.0 . 7.28 449 278 A 26 VAL HGy% A 51 SER HBy 1.0 . 7.28 450 279 A 32 GLU H A 27 ASP HBx 1.0 . 4.57 451 279 A 32 GLU H A 27 ASP HBy 1.0 . 4.57 452 280 A 28 LYS HBy A 31 ARG HBx 1.0 . 6.17 453 280 A 31 ARG HBy A 28 LYS HBx 1.0 . 6.17 454 280 A 28 LYS HBy A 31 ARG HBy 1.0 . 6.17 455 280 A 28 LYS HBx A 31 ARG HBx 1.0 . 6.17 456 281 A 30 SER H A 31 ARG HBx 1.0 . 4.62 457 281 A 30 SER H A 31 ARG HBy 1.0 . 4.62 458 282 A 30 SER HBx A 32 GLU HGx 1.0 . 6.17 459 282 A 30 SER HBy A 32 GLU HGx 1.0 . 6.17 460 282 A 32 GLU HGy A 30 SER HBy 1.0 . 6.17 461 282 A 30 SER HBx A 32 GLU HGy 1.0 . 6.17 462 283 A 32 GLU H A 33 VAL HG11 1.0 . 6.43 463 283 A 32 GLU H A 33 VAL HGy% 1.0 . 6.43 464 284 A 32 GLU HBx A 41 ASP HBx 1.0 . 4.76 465 284 A 32 GLU HBy A 41 ASP HBx 1.0 . 4.76 466 284 A 41 ASP HBy A 32 GLU HBx 1.0 . 4.76 467 284 A 32 GLU HBy A 41 ASP HBy 1.0 . 4.76 468 285 A 51 SER HA A 33 VAL HG11 1.0 . 6.43 469 285 A 51 SER HA A 33 VAL HGy% 1.0 . 6.43 470 286 A 54 ILE HB A 33 VAL HG11 1.0 . 6.43 471 286 A 33 VAL HGy% A 54 ILE HB 1.0 . 6.43 472 287 A 54 ILE HD1% A 33 VAL HG11 1.0 . 7.41 473 287 A 33 VAL HGy% A 54 ILE HD1% 1.0 . 7.41 474 288 A 37 GLU H A 35 MET HBx 1.0 . 5.35 475 288 A 37 GLU H A 35 MET HBy 1.0 . 5.35 476 289 A 35 MET HBx A 50 LEU HDy% 1.0 . 6.20 477 289 A 35 MET HBy A 50 LEU HDy% 1.0 . 6.20 478 289 A 50 LEU HDx% A 35 MET HBx 1.0 . 6.20 479 289 A 35 MET HBy A 50 LEU HDx% 1.0 . 6.20 480 290 A 35 MET HBy A 54 ILE HG1x 1.0 . 5.19 481 290 A 35 MET HBx A 54 ILE HG1x 1.0 . 5.19 482 290 A 54 ILE HG1y A 35 MET HBx 1.0 . 5.19 483 290 A 35 MET HBy A 54 ILE HG1y 1.0 . 5.19 484 291 A 54 ILE HD1% A 35 MET HBx 1.0 . 6.30 485 291 A 35 MET HBy A 54 ILE HD1% 1.0 . 6.30 486 292 A 35 MET HGx A 36 HIS HBx 1.0 . 6.17 487 292 A 35 MET HGy A 36 HIS HBx 1.0 . 6.17 488 292 A 36 HIS HBy A 35 MET HGx 1.0 . 6.17 489 292 A 35 MET HGy A 36 HIS HBy 1.0 . 6.17 490 293 A 36 HIS HBy A 101 GLN HGx 1.0 . 6.17 491 293 A 36 HIS HBx A 101 GLN HGx 1.0 . 6.17 492 293 A 101 GLN HGy A 36 HIS HBx 1.0 . 6.17 493 293 A 101 GLN HGy A 36 HIS HBy 1.0 . 6.17 494 294 A 38 LYS H A 37 GLU HBx 1.0 . 3.97 495 294 A 38 LYS H A 37 GLU HBy 1.0 . 3.97 496 295 A 37 GLU HGy A 101 GLN HBx 1.0 . 6.17 497 295 A 37 GLU HGx A 101 GLN HBx 1.0 . 6.17 498 295 A 101 GLN HBy A 37 GLU HGx 1.0 . 6.17 499 295 A 101 GLN HBy A 37 GLU HGy 1.0 . 6.17 500 296 A 39 LYS H A 40 LEU HDy% 1.0 . 6.43 501 296 A 39 LYS H A 40 LEU HDx% 1.0 . 6.43 502 297 A 40 LEU HA A 92 LYS HBy 1.0 . 5.35 503 297 A 40 LEU HA A 92 LYS HBx 1.0 . 5.35 504 298 A 40 LEU HDy% A 42 LEU HBx 1.0 . 7.27 505 298 A 40 LEU HDx% A 42 LEU HBx 1.0 . 7.27 506 298 A 42 LEU HBy A 40 LEU HDy% 1.0 . 7.27 507 298 A 42 LEU HBy A 40 LEU HDx% 1.0 . 7.27 508 299 A 40 LEU HDx% A 47 TYR HBx 1.0 . 6.19 509 299 A 40 LEU HDy% A 47 TYR HBx 1.0 . 6.19 510 299 A 47 TYR HBy A 40 LEU HDy% 1.0 . 6.19 511 299 A 47 TYR HBy A 40 LEU HDx% 1.0 . 6.19 512 300 A 40 LEU HDx% A 93 ILE HG1x 1.0 . 5.73 513 300 A 40 LEU HDy% A 93 ILE HG1x 1.0 . 5.73 514 300 A 93 ILE HG1y A 40 LEU HDy% 1.0 . 5.73 515 300 A 40 LEU HDx% A 93 ILE HG1y 1.0 . 5.73 516 301 A 41 ASP H A 42 LEU HDy% 1.0 . 6.43 517 301 A 41 ASP H A 42 LEU HDx% 1.0 . 6.43 518 302 A 41 ASP HA A 42 LEU HDy% 1.0 . 6.43 519 302 A 42 LEU HDx% A 41 ASP HA 1.0 . 6.43 520 303 A 43 THR H A 42 LEU HDy% 1.0 . 5.34 521 303 A 43 THR H A 42 LEU HDx% 1.0 . 5.34 522 304 A 42 LEU HDx% A 46 GLU HBx 1.0 . 5.73 523 304 A 42 LEU HDy% A 46 GLU HBx 1.0 . 5.73 524 304 A 46 GLU HBy A 42 LEU HDy% 1.0 . 5.73 525 304 A 42 LEU HDx% A 46 GLU HBy 1.0 . 5.73 526 305 A 47 TYR H A 42 LEU HDy% 1.0 . 5.51 527 305 A 47 TYR H A 42 LEU HDx% 1.0 . 5.51 528 306 A 43 THR HG2% A 85 ILE HG1x 1.0 . 6.30 529 306 A 43 THR HG2% A 85 ILE HG1y 1.0 . 6.30 530 307 A 45 ALA HB% A 84 VAL HGx% 1.0 . 7.41 531 307 A 45 ALA HB% A 84 VAL HGy% 1.0 . 7.41 532 308 A 46 GLU HBx A 84 VAL HGx% 1.0 . 6.20 533 308 A 46 GLU HBy A 84 VAL HGx% 1.0 . 6.20 534 308 A 84 VAL HGy% A 46 GLU HBx 1.0 . 6.20 535 308 A 46 GLU HBy A 84 VAL HGy% 1.0 . 6.20 536 309 A 46 GLU HBy A 89 LEU HDy% 1.0 . 6.20 537 309 A 46 GLU HBx A 89 LEU HDy% 1.0 . 6.20 538 309 A 89 LEU HDx% A 46 GLU HBx 1.0 . 6.20 539 309 A 89 LEU HDx% A 46 GLU HBy 1.0 . 6.20 540 310 A 46 GLU HGx A 89 LEU HDy% 1.0 . 7.27 541 310 A 46 GLU HGy A 89 LEU HDy% 1.0 . 7.27 542 310 A 89 LEU HDx% A 46 GLU HGx 1.0 . 7.27 543 310 A 46 GLU HGy A 89 LEU HDx% 1.0 . 7.27 544 311 A 49 ILE H A 69 GLU HBx 1.0 . 4.24 545 311 A 69 GLU HBy A 49 ILE H 1.0 . 4.24 546 312 A 49 ILE HA A 52 LEU HBy 1.0 . 5.35 547 312 A 49 ILE HA A 52 LEU HBx 1.0 . 5.35 548 313 A 49 ILE HA A 69 GLU HBx 1.0 . 5.35 549 313 A 69 GLU HBy A 49 ILE HA 1.0 . 5.35 550 314 A 49 ILE HG2% A 89 LEU HDy% 1.0 . 7.41 551 314 A 89 LEU HDx% A 49 ILE HG2% 1.0 . 7.41 552 315 A 52 LEU H A 49 ILE HG1x 1.0 . 5.32 553 315 A 49 ILE HG1y A 52 LEU H 1.0 . 5.32 554 316 A 50 LEU HG A 89 LEU HDy% 1.0 . 6.43 555 316 A 89 LEU HDx% A 50 LEU HG 1.0 . 6.43 556 317 A 53 LEU HG A 50 LEU HDy% 1.0 . 6.43 557 317 A 53 LEU HG A 50 LEU HDx% 1.0 . 6.43 558 318 A 54 ILE H A 50 LEU HDy% 1.0 . 5.71 559 318 A 54 ILE H A 50 LEU HDx% 1.0 . 5.71 560 319 A 86 ILE HA A 50 LEU HDy% 1.0 . 6.43 561 319 A 86 ILE HA A 50 LEU HDx% 1.0 . 6.43 562 320 A 50 LEU HDx% A 89 LEU HBy 1.0 . 6.20 563 320 A 50 LEU HDy% A 89 LEU HBy 1.0 . 6.20 564 320 A 89 LEU HBx A 50 LEU HDy% 1.0 . 6.20 565 320 A 50 LEU HDx% A 89 LEU HBx 1.0 . 6.20 566 321 A 50 LEU HDy% A 89 LEU HDy% 1.0 . 7.25 567 321 A 50 LEU HDx% A 89 LEU HDy% 1.0 . 7.25 568 321 A 89 LEU HDx% A 50 LEU HDy% 1.0 . 7.25 569 321 A 89 LEU HDx% A 50 LEU HDx% 1.0 . 7.25 570 322 A 52 LEU HBx A 69 GLU HBx 1.0 . 5.19 571 322 A 52 LEU HBy A 69 GLU HBx 1.0 . 5.19 572 322 A 69 GLU HBy A 52 LEU HBy 1.0 . 5.19 573 322 A 69 GLU HBy A 52 LEU HBx 1.0 . 5.19 574 323 A 52 LEU HBy A 69 GLU HGx 1.0 . 6.17 575 323 A 52 LEU HBx A 69 GLU HGx 1.0 . 6.17 576 323 A 69 GLU HGy A 52 LEU HBy 1.0 . 6.17 577 323 A 69 GLU HGy A 52 LEU HBx 1.0 . 6.17 578 324 A 52 LEU HDx% A 56 LYS HGx 1.0 . 7.27 579 324 A 52 LEU HDy% A 56 LYS HGx 1.0 . 7.27 580 324 A 56 LYS HGy A 52 LEU HDy% 1.0 . 7.27 581 324 A 56 LYS HGy A 52 LEU HDx% 1.0 . 7.27 582 325 A 66 ILE HG2% A 52 LEU HDy% 1.0 . 7.41 583 325 A 66 ILE HG2% A 52 LEU HDx% 1.0 . 7.41 584 326 A 68 ILE HG2% A 52 LEU HDy% 1.0 . 7.41 585 326 A 52 LEU HDx% A 68 ILE HG2% 1.0 . 7.41 586 327 A 57 LYS HA A 53 LEU HDy% 1.0 . 6.43 587 327 A 53 LEU HDx% A 57 LYS HA 1.0 . 6.43 588 328 A 66 ILE HG2% A 53 LEU HDy% 1.0 . 7.41 589 328 A 66 ILE HG2% A 53 LEU HDx% 1.0 . 7.41 590 329 A 53 LEU HDy% A 113 LEU HBy 1.0 . 6.20 591 329 A 53 LEU HDx% A 113 LEU HBy 1.0 . 6.20 592 329 A 113 LEU HBx A 53 LEU HDy% 1.0 . 6.20 593 329 A 53 LEU HDx% A 113 LEU HBx 1.0 . 6.20 594 330 A 54 ILE HD1% A 113 LEU HDy% 1.0 . 7.41 595 330 A 113 LEU HDx% A 54 ILE HD1% 1.0 . 7.41 596 331 A 56 LYS HGy A 57 LYS HBy 1.0 . 6.17 597 331 A 56 LYS HGx A 57 LYS HBy 1.0 . 6.17 598 331 A 57 LYS HBx A 56 LYS HGx 1.0 . 6.17 599 331 A 56 LYS HGy A 57 LYS HBx 1.0 . 6.17 600 332 A 57 LYS HBx A 113 LEU HDy% 1.0 . 6.20 601 332 A 113 LEU HDx% A 57 LYS HBy 1.0 . 6.20 602 332 A 113 LEU HDx% A 57 LYS HBx 1.0 . 6.20 603 332 A 57 LYS HBy A 113 LEU HDy% 1.0 . 6.20 604 333 A 59 TYR HBx A 60 VAL HGx% 1.0 . 5.73 605 333 A 60 VAL HGy% A 59 TYR HBx 1.0 . 5.73 606 333 A 60 VAL HGy% A 59 TYR HBy 1.0 . 5.73 607 333 A 59 TYR HBy A 60 VAL HGx% 1.0 . 5.73 608 334 A 59 TYR HDy A 60 VAL HGx% 1.0 . 6.43 609 334 A 60 VAL HGy% A 59 TYR HDy 1.0 . 6.43 610 335 A 60 VAL HA A 112 LYS HBy 1.0 . 5.35 611 335 A 60 VAL HA A 112 LYS HBx 1.0 . 5.35 612 336 A 61 PHE HDy A 60 VAL HGx% 1.0 . 6.43 613 336 A 60 VAL HGy% A 61 PHE HDy 1.0 . 6.43 614 337 A 61 PHE HDx A 60 VAL HGx% 1.0 . 6.43 615 337 A 60 VAL HGy% A 61 PHE HDx 1.0 . 6.43 616 338 A 63 ARG H A 60 VAL HGx% 1.0 . 6.43 617 338 A 63 ARG H A 60 VAL HGy% 1.0 . 6.43 618 339 A 106 VAL HB A 60 VAL HGx% 1.0 . 6.43 619 339 A 60 VAL HGy% A 106 VAL HB 1.0 . 6.43 620 340 A 60 VAL HGy% A 106 VAL HGx% 1.0 . 7.25 621 340 A 60 VAL HGx% A 106 VAL HGx% 1.0 . 7.25 622 340 A 106 VAL HGy% A 60 VAL HGx% 1.0 . 7.25 623 340 A 60 VAL HGy% A 106 VAL HGy% 1.0 . 7.25 624 341 A 111 TYR H A 60 VAL HGx% 1.0 . 5.27 625 341 A 111 TYR H A 60 VAL HGy% 1.0 . 5.27 626 342 A 113 LEU H A 60 VAL HGx% 1.0 . 6.43 627 342 A 60 VAL HGy% A 113 LEU H 1.0 . 6.43 628 343 A 61 PHE HBx A 86 ILE HG1x 1.0 . 6.17 629 343 A 61 PHE HBy A 86 ILE HG1x 1.0 . 6.17 630 343 A 86 ILE HG1y A 61 PHE HBx 1.0 . 6.17 631 343 A 86 ILE HG1y A 61 PHE HBy 1.0 . 6.17 632 344 A 62 SER HBy A 63 ARG HDx 1.0 . 6.17 633 344 A 63 ARG HDy A 62 SER HBy 1.0 . 6.17 634 344 A 63 ARG HDy A 62 SER HBx 1.0 . 6.17 635 344 A 62 SER HBx A 63 ARG HDx 1.0 . 6.17 636 345 A 63 ARG HDy A 82 ILE HG1x 1.0 . 6.17 637 345 A 63 ARG HDx A 82 ILE HG1x 1.0 . 6.17 638 345 A 82 ILE HG1y A 63 ARG HDx 1.0 . 6.17 639 345 A 82 ILE HG1y A 63 ARG HDy 1.0 . 6.17 640 346 A 66 ILE HG1x A 81 SER HBx 1.0 . 6.17 641 346 A 66 ILE HG1y A 81 SER HBx 1.0 . 6.17 642 346 A 81 SER HBy A 66 ILE HG1x 1.0 . 6.17 643 346 A 81 SER HBy A 66 ILE HG1y 1.0 . 6.17 644 347 A 66 ILE HG1x A 82 ILE HG1x 1.0 . 5.19 645 347 A 66 ILE HG1y A 82 ILE HG1x 1.0 . 5.19 646 347 A 82 ILE HG1y A 66 ILE HG1x 1.0 . 5.19 647 347 A 82 ILE HG1y A 66 ILE HG1y 1.0 . 5.19 648 348 A 82 ILE HD1% A 66 ILE HG1x 1.0 . 6.30 649 348 A 82 ILE HD1% A 66 ILE HG1y 1.0 . 6.30 650 349 A 66 ILE HD1% A 86 ILE HG1x 1.0 . 6.30 651 349 A 86 ILE HG1y A 66 ILE HD1% 1.0 . 6.30 652 350 A 68 ILE HD1% A 69 GLU HBx 1.0 . 6.30 653 350 A 69 GLU HBy A 68 ILE HD1% 1.0 . 6.30 654 351 A 82 ILE HD1% A 86 ILE HG1x 1.0 . 6.30 655 351 A 86 ILE HG1y A 82 ILE HD1% 1.0 . 6.30 656 352 A 83 ASP HA A 84 VAL HGx% 1.0 . 6.43 657 352 A 83 ASP HA A 84 VAL HGy% 1.0 . 6.43 658 353 A 83 ASP HA A 86 ILE HG1x 1.0 . 5.35 659 353 A 86 ILE HG1y A 83 ASP HA 1.0 . 5.35 660 354 A 83 ASP HBx A 84 VAL HGx% 1.0 . 6.19 661 354 A 83 ASP HBy A 84 VAL HGx% 1.0 . 6.19 662 354 A 84 VAL HGy% A 83 ASP HBx 1.0 . 6.19 663 354 A 84 VAL HGy% A 83 ASP HBy 1.0 . 6.19 664 355 A 85 ILE HA A 84 VAL HGx% 1.0 . 6.43 665 355 A 85 ILE HA A 84 VAL HGy% 1.0 . 6.43 666 356 A 85 ILE HG2% A 84 VAL HGx% 1.0 . 7.41 667 356 A 85 ILE HG2% A 84 VAL HGy% 1.0 . 7.41 668 357 A 86 ILE H A 84 VAL HGx% 1.0 . 6.43 669 357 A 86 ILE H A 84 VAL HGy% 1.0 . 6.43 670 358 A 87 GLY H A 84 VAL HGx% 1.0 . 6.43 671 358 A 87 GLY H A 84 VAL HGy% 1.0 . 6.43 672 359 A 84 VAL HGy% A 88 ARG HDx 1.0 . 7.27 673 359 A 84 VAL HGx% A 88 ARG HDx 1.0 . 7.27 674 359 A 88 ARG HDy A 84 VAL HGx% 1.0 . 7.27 675 359 A 88 ARG HDy A 84 VAL HGy% 1.0 . 7.27 676 360 A 85 ILE HA A 89 LEU HDy% 1.0 . 6.43 677 360 A 89 LEU HDx% A 85 ILE HA 1.0 . 6.43 678 361 A 86 ILE HG2% A 89 LEU HDy% 1.0 . 7.41 679 361 A 86 ILE HG2% A 89 LEU HDx% 1.0 . 7.41 680 362 A 89 LEU HA A 93 ILE HG1x 1.0 . 5.35 681 362 A 89 LEU HA A 93 ILE HG1y 1.0 . 5.35 682 363 A 93 ILE HD1% A 89 LEU HBy 1.0 . 6.30 683 363 A 89 LEU HBx A 93 ILE HD1% 1.0 . 6.30 684 364 A 89 LEU HDy% A 90 ARG HDx 1.0 . 7.27 685 364 A 89 LEU HDx% A 90 ARG HDx 1.0 . 7.27 686 364 A 90 ARG HDy A 89 LEU HDy% 1.0 . 7.27 687 364 A 89 LEU HDx% A 90 ARG HDy 1.0 . 7.27 688 365 A 89 LEU HDy% A 93 ILE HG1x 1.0 . 5.37 689 365 A 89 LEU HDx% A 93 ILE HG1x 1.0 . 5.37 690 365 A 93 ILE HG1y A 89 LEU HDy% 1.0 . 5.37 691 365 A 89 LEU HDx% A 93 ILE HG1y 1.0 . 5.37 692 366 A 93 ILE HA A 92 LYS HBy 1.0 . 5.35 693 366 A 92 LYS HBx A 93 ILE HA 1.0 . 5.35 694 367 A 93 ILE HB A 92 LYS HBy 1.0 . 5.35 695 367 A 92 LYS HBx A 93 ILE HB 1.0 . 5.35 696 368 A 93 ILE HD1% A 92 LYS HBy 1.0 . 6.30 697 368 A 92 LYS HBx A 93 ILE HD1% 1.0 . 6.30 698 369 A 103 ILE HG2% A 104 ILE HG1x 1.0 . 6.30 699 369 A 104 ILE HG1y A 103 ILE HG2% 1.0 . 6.30 700 370 A 113 LEU HA A 103 ILE HG1x 1.0 . 5.35 701 370 A 103 ILE HG1y A 113 LEU HA 1.0 . 5.35 702 371 A 103 ILE HD1% A 111 TYR HBx 1.0 . 6.30 703 371 A 111 TYR HBy A 103 ILE HD1% 1.0 . 6.30 704 372 A 104 ILE HG1y A 106 VAL HGx% 1.0 . 6.20 705 372 A 106 VAL HGy% A 104 ILE HG1x 1.0 . 6.20 706 372 A 104 ILE HG1y A 106 VAL HGy% 1.0 . 6.20 707 372 A 104 ILE HG1x A 106 VAL HGx% 1.0 . 6.20 708 373 A 106 VAL HGx% A 112 LYS HGx 1.0 . 7.27 709 373 A 106 VAL HGy% A 112 LYS HGx 1.0 . 7.27 710 373 A 112 LYS HGy A 106 VAL HGx% 1.0 . 7.27 711 373 A 112 LYS HGy A 106 VAL HGy% 1.0 . 7.27 712 374 A 106 VAL HGx% A 112 LYS HEx 1.0 . 7.27 713 374 A 106 VAL HGy% A 112 LYS HEx 1.0 . 7.27 714 374 A 112 LYS HEy A 106 VAL HGx% 1.0 . 7.27 715 374 A 106 VAL HGy% A 112 LYS HEy 1.0 . 7.27 716 375 A 111 TYR H A 110 GLY HAx 1.0 . 2.99 717 375 A 110 GLY HAy A 111 TYR H 1.0 . 2.99 718 376 A 111 TYR HBx A 113 LEU HDy% 1.0 . 5.73 719 376 A 111 TYR HBy A 113 LEU HDy% 1.0 . 5.73 720 376 A 113 LEU HDx% A 111 TYR HBx 1.0 . 5.73 721 376 A 111 TYR HBy A 113 LEU HDx% 1.0 . 5.73 722 377 A 112 LYS HGy A 114 GLU HBx 1.0 . 6.17 723 377 A 112 LYS HGx A 114 GLU HBx 1.0 . 6.17 724 377 A 114 GLU HBy A 112 LYS HGx 1.0 . 6.17 725 377 A 112 LYS HGy A 114 GLU HBy 1.0 . 6.17 726 378 A 113 LEU HA A 114 GLU HBx 1.0 . 5.35 727 378 A 113 LEU HA A 114 GLU HBy 1.0 . 5.35 728 379 A 114 GLU H A 113 LEU HBy 1.0 . 4.10 729 379 A 114 GLU H A 113 LEU HBx 1.0 . 4.10 730 380 A 114 GLU HA A 113 LEU HDy% 1.0 . 6.43 731 380 A 113 LEU HDx% A 114 GLU HA 1.0 . 6.43 732 381 A 114 GLU H A 114 GLU HBx 1.0 . 3.44 733 381 A 114 GLU H A 114 GLU HBy 1.0 . 3.44 734 382 A 85 ILE HB A 82 ILE HA 1.0 . 5.50 735 383 A 83 ASP H A 84 VAL HB 1.0 . 5.50 736 384 A 49 ILE HA A 52 LEU HBy 1.0 . 5.50 737 385 A 49 ILE HA A 52 LEU HBx 1.0 . 5.50 738 386 A 86 ILE HA A 89 LEU HBy 1.0 . 5.50 739 387 A 86 ILE HA A 89 LEU HBx 1.0 . 5.50 740 388 A 45 ALA HA A 48 GLU HBx 1.0 . 5.50 741 389 A 45 ALA HA A 48 GLU HBy 1.0 . 5.50 742 390 A 50 LEU H A 49 ILE HB 1.0 . 5.50 743 391 A 63 ARG HA A 79 ASN HA 1.0 . 5.50 744 392 A 44 ARG HA A 47 TYR HA 1.0 . 5.50 745 393 A 103 ILE H A 104 ILE HA 1.0 . 5.50 746 394 A 105 SER HA A 111 TYR HA 1.0 . 5.50 747 395 A 113 LEU HA A 103 ILE HA 1.0 . 5.50 748 396 A 47 TYR HBy A 44 ARG HA 1.0 . 5.50 749 397 A 44 ARG HA A 47 TYR HBx 1.0 . 5.50 750 398 A 27 ASP HA A 28 LYS HBx 1.0 . 6.39 751 398 A 28 LYS HBy A 27 ASP HA 1.0 . 6.39 752 399 A 72 SER HA A 71 GLU HBx 1.0 . 6.39 753 399 A 72 SER HA A 71 GLU HBy 1.0 . 6.39 754 400 A 73 ILE HA A 72 SER HBx 1.0 . 6.39 755 400 A 72 SER HBy A 73 ILE HA 1.0 . 6.39 756 401 A 33 VAL H A 41 ASP HA 1.0 . 5.19 757 402 A 60 VAL HA A 112 LYS HA 1.0 . 5.50 758 403 A 39 LYS HA A 34 TYR HA 1.0 . 5.50 759 404 A 108 GLY H A 107 ARG HBx 1.0 . 6.39 760 404 A 107 ARG HBy A 108 GLY H 1.0 . 6.39 761 405 A 64 GLU HA A 76 GLU HA 1.0 . 5.50 762 406 A 36 HIS HA A 23 ILE HA 1.0 . 5.50 763 407 A 67 ALA HA A 72 SER H 1.0 . 5.50 764 408 A 39 LYS H A 98 LYS HA 1.0 . 5.50 765 409 A 35 MET H A 38 LYS HBx 1.0 . 6.39 766 409 A 38 LYS HBy A 35 MET H 1.0 . 6.39 767 410 A 27 ASP HA A 18 PRO HA 1.0 . 5.50 768 411 A 102 TYR HA A 104 ILE H 1.0 . 5.50 769 412 A 102 TYR HA A 100 PRO HA 1.0 . 5.50 770 413 A 101 GLN H A 102 TYR HA 1.0 . 5.50 771 414 A 57 LYS HA A 114 GLU HA 1.0 . 5.50 772 415 A 20 ASP HA A 25 ARG HA 1.0 . 2.68 773 416 A 35 MET HA A 24 PHE HA 1.0 . 5.50 774 417 A 30 SER HA A 28 LYS HBx 1.0 . 6.30 775 417 A 28 LYS HBy A 30 SER HA 1.0 . 6.30 776 418 A 51 SER HA A 54 ILE HB 1.0 . 5.50 777 419 A 55 SER HA A 23 ILE H 1.0 . 5.50 778 420 A 57 LYS HA A 54 ILE HA 1.0 . 5.50 779 421 A 86 ILE HB A 83 ASP HA 1.0 . 5.50 780 422 A 84 VAL HA A 87 GLY HAx 1.0 . 6.39 781 422 A 84 VAL HA A 87 GLY HAy 1.0 . 6.39 782 423 A 66 ILE HA A 68 ILE HB 1.0 . 5.50 783 424 A 114 GLU H A 113 LEU HBx 1.0 . 5.50 784 425 A 114 GLU H A 113 LEU HBy 1.0 . 5.50 785 426 A 52 LEU H A 53 LEU HA 1.0 . 5.50 786 427 A 32 GLU HA A 42 LEU H 1.0 . 5.04 787 428 A 52 LEU HA A 56 LYS H 1.0 . 5.50 788 429 A 40 LEU HA A 41 ASP HBy 1.0 . 5.50 789 430 A 40 LEU HA A 41 ASP HBx 1.0 . 5.50 790 431 A 40 LEU HA A 89 LEU HG 1.0 . 5.50 791 432 A 35 MET HGy A 98 LYS HEx 1.0 . 7.27 792 432 A 35 MET HGx A 98 LYS HEx 1.0 . 7.27 793 432 A 98 LYS HEy A 35 MET HGx 1.0 . 7.27 794 432 A 35 MET HGy A 98 LYS HEy 1.0 . 7.27 795 433 A 98 LYS HA A 98 LYS HEx 1.0 . 6.39 796 433 A 98 LYS HA A 98 LYS HEy 1.0 . 6.39 797 434 A 48 GLU HGx A 69 GLU HGx 1.0 . 7.28 798 434 A 48 GLU HGy A 69 GLU HGx 1.0 . 7.28 799 434 A 69 GLU HGy A 48 GLU HGx 1.0 . 7.28 800 434 A 48 GLU HGy A 69 GLU HGy 1.0 . 7.28 801 435 A 47 TYR HDx A 48 GLU HGx 1.0 . 6.39 802 435 A 47 TYR HDx A 48 GLU HGy 1.0 . 6.39 803 436 A 47 TYR HDy A 48 GLU HGx 1.0 . 6.39 804 436 A 48 GLU HGy A 47 TYR HDy 1.0 . 6.39 805 437 A 44 ARG HA A 44 ARG HDx 1.0 . 6.39 806 437 A 44 ARG HA A 44 ARG HDy 1.0 . 6.39 807 438 A 85 ILE HB A 46 GLU HA 1.0 . 5.50 808 439 A 44 ARG HGy A 47 TYR HBx 1.0 . 6.39 809 439 A 44 ARG HGx A 47 TYR HBx 1.0 . 6.39 810 440 A 47 TYR HBy A 44 ARG HGy 1.0 . 6.39 811 440 A 47 TYR HBy A 44 ARG HGx 1.0 . 6.39 812 441 A 70 SER HBx A 48 GLU HGx 1.0 . 6.39 813 441 A 48 GLU HGy A 70 SER HBx 1.0 . 6.39 814 442 A 48 GLU HGy A 70 SER HBy 1.0 . 6.39 815 442 A 48 GLU HGx A 70 SER HBy 1.0 . 6.39 816 443 A 69 GLU HGy A 48 GLU HBx 1.0 . 6.39 817 443 A 48 GLU HBx A 69 GLU HGx 1.0 . 6.39 818 444 A 63 ARG HA A 63 ARG HDx 1.0 . 6.39 819 444 A 63 ARG HDy A 63 ARG HA 1.0 . 6.39 820 445 A 77 SER HA A 63 ARG HDx 1.0 . 6.39 821 445 A 63 ARG HDy A 77 SER HA 1.0 . 6.39 822 446 A 69 GLU HGy A 48 GLU HBy 1.0 . 6.39 823 446 A 48 GLU HBy A 69 GLU HGx 1.0 . 6.39 824 447 A 64 GLU HGy A 77 SER HBx 1.0 . 7.28 825 447 A 64 GLU HGx A 77 SER HBx 1.0 . 7.28 826 447 A 77 SER HBy A 64 GLU HGx 1.0 . 7.28 827 447 A 64 GLU HGy A 77 SER HBy 1.0 . 7.28 828 448 A 112 LYS H A 105 SER HBx 1.0 . 6.39 829 448 A 105 SER HBy A 112 LYS H 1.0 . 6.39 830 449 A 47 TYR HDx A 47 TYR HA 1.0 . 5.50 831 450 A 47 TYR HDy A 47 TYR HA 1.0 . 5.50 832 451 A 111 TYR HDx A 105 SER HA 1.0 . 5.50 833 452 A 111 TYR HDy A 105 SER HA 1.0 . 5.50 834 453 A 111 TYR HDx A 105 SER HBx 1.0 . 6.39 835 453 A 111 TYR HDx A 105 SER HBy 1.0 . 6.39 836 454 A 111 TYR HDy A 105 SER HBx 1.0 . 6.39 837 454 A 111 TYR HDy A 105 SER HBy 1.0 . 6.39 838 455 A 75 PRO HGy A 77 SER HBx 1.0 . 7.29 839 455 A 75 PRO HGx A 77 SER HBx 1.0 . 7.29 840 455 A 77 SER HBy A 75 PRO HGx 1.0 . 7.29 841 455 A 77 SER HBy A 75 PRO HGy 1.0 . 7.29 842 456 A 77 SER HA A 76 GLU HGx 1.0 . 6.39 843 456 A 77 SER HA A 76 GLU HGy 1.0 . 6.39 844 457 A 71 GLU HBx A 72 SER HBx 1.0 . 7.28 845 457 A 71 GLU HBy A 72 SER HBx 1.0 . 7.28 846 457 A 72 SER HBy A 71 GLU HBx 1.0 . 7.28 847 457 A 71 GLU HBy A 72 SER HBy 1.0 . 7.28 848 458 A 61 PHE HDy A 50 LEU HA 1.0 . 5.50 849 459 A 61 PHE HDx A 50 LEU HA 1.0 . 5.50 850 460 A 101 GLN HGx A 102 TYR HBx 1.0 . 7.27 851 460 A 101 GLN HGy A 102 TYR HBx 1.0 . 7.27 852 460 A 102 TYR HBy A 101 GLN HGx 1.0 . 7.27 853 460 A 101 GLN HGy A 102 TYR HBy 1.0 . 7.27 854 461 A 104 ILE HB A 112 LYS HGx 1.0 . 6.39 855 461 A 112 LYS HGy A 104 ILE HB 1.0 . 6.39 856 462 A 113 LEU HA A 112 LYS HGx 1.0 . 6.39 857 462 A 112 LYS HGy A 113 LEU HA 1.0 . 6.39 858 463 A 113 LEU HA A 102 TYR HBx 1.0 . 6.39 859 463 A 102 TYR HBy A 113 LEU HA 1.0 . 6.39 860 464 A 49 ILE HA A 69 GLU HGx 1.0 . 6.39 861 464 A 49 ILE HA A 69 GLU HGy 1.0 . 6.39 862 465 A 44 ARG HGy A 48 GLU HGx 1.0 . 7.28 863 465 A 44 ARG HGx A 48 GLU HGx 1.0 . 7.28 864 465 A 48 GLU HGy A 44 ARG HGx 1.0 . 7.28 865 465 A 44 ARG HGy A 48 GLU HGy 1.0 . 7.28 866 466 A 54 ILE HA A 56 LYS HGx 1.0 . 6.39 867 466 A 56 LYS HGy A 54 ILE HA 1.0 . 6.39 868 467 A 63 ARG HDx A 79 ASN HBx 1.0 . 7.28 869 467 A 63 ARG HDy A 79 ASN HBx 1.0 . 7.28 870 467 A 79 ASN HBy A 63 ARG HDx 1.0 . 7.28 871 467 A 79 ASN HBy A 63 ARG HDy 1.0 . 7.28 872 468 A 84 VAL HA A 88 ARG HDx 1.0 . 6.39 873 468 A 84 VAL HA A 88 ARG HDy 1.0 . 6.39 874 469 A 35 MET HGx A 38 LYS HGx 1.0 . 7.28 875 469 A 38 LYS HGy A 35 MET HGx 1.0 . 7.28 876 469 A 38 LYS HGy A 35 MET HGy 1.0 . 7.28 877 469 A 35 MET HGy A 38 LYS HGx 1.0 . 7.28 878 470 A 38 LYS HBx A 38 LYS HEx 1.0 . 7.28 879 470 A 38 LYS HBy A 38 LYS HEx 1.0 . 7.28 880 470 A 38 LYS HEy A 38 LYS HBx 1.0 . 7.28 881 470 A 38 LYS HBy A 38 LYS HEy 1.0 . 7.28 882 471 A 38 LYS HEy A 35 MET HBx 1.0 . 6.39 883 471 A 35 MET HBx A 38 LYS HEx 1.0 . 6.39 884 472 A 53 LEU HG A 69 GLU HGx 1.0 . 6.39 885 472 A 69 GLU HGy A 53 LEU HG 1.0 . 6.39 886 473 A 35 MET HGy A 24 PHE HBy 1.0 . 6.39 887 473 A 24 PHE HBy A 35 MET HGx 1.0 . 6.39 888 474 A 35 MET HGy A 24 PHE HBx 1.0 . 6.39 889 474 A 24 PHE HBx A 35 MET HGx 1.0 . 6.39 890 475 A 24 PHE HDy A 33 VAL HB 1.0 . 5.50 891 476 A 47 TYR HDy A 33 VAL HB 1.0 . 5.50 892 477 A 67 ALA HA A 73 ILE HB 1.0 . 5.50 893 478 A 76 GLU HA A 75 PRO HDx 1.0 . 6.39 894 478 A 76 GLU HA A 75 PRO HDy 1.0 . 6.39 895 479 A 114 GLU HA A 57 LYS HGx 1.0 . 6.39 896 479 A 114 GLU HA A 57 LYS HGy 1.0 . 6.39 897 480 A 55 SER HA A 23 ILE HB 1.0 . 5.50 898 481 A 34 TYR HDx A 39 LYS HEx 1.0 . 6.39 899 481 A 34 TYR HDx A 39 LYS HEy 1.0 . 6.39 900 482 A 34 TYR HDy A 39 LYS HEx 1.0 . 6.39 901 482 A 34 TYR HDy A 39 LYS HEy 1.0 . 6.39 902 483 A 35 MET HBy A 38 LYS HEy 1.0 . 6.39 903 483 A 35 MET HBy A 38 LYS HEx 1.0 . 6.39 904 484 A 79 ASN HA A 63 ARG HDx 1.0 . 6.39 905 484 A 63 ARG HDy A 79 ASN HA 1.0 . 6.39 906 485 A 73 ILE HB A 72 SER HBx 1.0 . 6.39 907 485 A 72 SER HBy A 73 ILE HB 1.0 . 6.39 908 486 A 27 ASP HA A 18 PRO HBy 1.0 . 5.50 909 487 A 27 ASP HA A 18 PRO HBx 1.0 . 5.50 910 488 A 53 LEU HG A 58 GLY H 1.0 . 5.50 911 489 A 102 TYR HA A 102 TYR HDy 1.0 . 5.50 912 490 A 102 TYR HA A 102 TYR HDx 1.0 . 5.50 913 491 A 61 PHE HDy A 53 LEU HG 1.0 . 5.50 914 492 A 61 PHE HDx A 53 LEU HG 1.0 . 5.50 915 493 A 24 PHE HDx A 24 PHE HA 1.0 . 5.50 916 494 A 24 PHE HDy A 24 PHE HA 1.0 . 5.50 917 495 A 24 PHE HA A 35 MET HGx 1.0 . 6.39 918 495 A 35 MET HGy A 24 PHE HA 1.0 . 6.39 919 496 A 38 LYS HA A 98 LYS HGx 1.0 . 6.39 920 496 A 38 LYS HA A 98 LYS HGy 1.0 . 6.39 921 497 A 38 LYS HBy A 98 LYS HGx 1.0 . 7.28 922 497 A 38 LYS HBx A 98 LYS HGx 1.0 . 7.28 923 497 A 98 LYS HGy A 38 LYS HBx 1.0 . 7.28 924 497 A 38 LYS HBy A 98 LYS HGy 1.0 . 7.28 925 498 A 26 VAL HB A 33 VAL HB 1.0 . 5.50 926 499 A 31 ARG HA A 44 ARG HGx 1.0 . 6.39 927 499 A 31 ARG HA A 44 ARG HGy 1.0 . 6.39 928 500 A 45 ALA HA A 48 GLU HGx 1.0 . 6.39 929 500 A 45 ALA HA A 48 GLU HGy 1.0 . 6.39 930 501 A 71 GLU HGy A 81 SER HBx 1.0 . 7.28 931 501 A 71 GLU HGx A 81 SER HBx 1.0 . 7.28 932 501 A 81 SER HBy A 71 GLU HGx 1.0 . 7.28 933 501 A 81 SER HBy A 71 GLU HGy 1.0 . 7.28 934 502 A 37 GLU HA A 101 GLN HGx 1.0 . 6.39 935 502 A 101 GLN HGy A 37 GLU HA 1.0 . 6.39 936 503 A 93 ILE HB A 38 LYS HGx 1.0 . 6.39 937 503 A 38 LYS HGy A 93 ILE HB 1.0 . 6.39 938 504 A 88 ARG HA A 88 ARG HDx 1.0 . 6.39 939 504 A 88 ARG HDy A 88 ARG HA 1.0 . 6.39 940 505 A 79 ASN HA A 63 ARG HBx 1.0 . 6.39 941 505 A 63 ARG HBy A 79 ASN HA 1.0 . 6.39 942 506 A 111 TYR HDy A 61 PHE HBx 1.0 . 6.39 943 506 A 111 TYR HDy A 61 PHE HBy 1.0 . 6.39 944 507 A 111 TYR HDx A 61 PHE HBx 1.0 . 6.39 945 507 A 111 TYR HDx A 61 PHE HBy 1.0 . 6.39 946 508 A 111 TYR HDx A 111 TYR HA 1.0 . 5.50 947 509 A 111 TYR HDy A 111 TYR HA 1.0 . 5.50 948 510 A 106 VAL HB A 111 TYR HA 1.0 . 5.50 949 511 A 18 PRO HA A 28 LYS HBx 1.0 . 6.39 950 511 A 28 LYS HBy A 18 PRO HA 1.0 . 6.39 951 512 A 35 MET HE% A 23 ILE HG2% 1.0 . 7.56 952 513 A 54 ILE HD1% A 54 ILE HA 1.0 . 6.53 953 514 A 24 PHE HDx A 54 ILE HD1% 1.0 . 6.53 954 515 A 24 PHE HDy A 54 ILE HD1% 1.0 . 6.53 955 516 A 68 ILE HG2% A 69 GLU HA 1.0 . 6.53 956 517 A 85 ILE HD1% A 82 ILE HA 1.0 . 6.53 957 518 A 85 ILE HG2% A 82 ILE HA 1.0 . 6.53 958 519 A 85 ILE HA A 85 ILE HD1% 1.0 . 6.53 959 520 A 49 ILE HG2% A 85 ILE HG2% 1.0 . 7.56 960 521 A 85 ILE HG2% A 49 ILE HB 1.0 . 6.53 961 522 A 86 ILE HA A 86 ILE HD1% 1.0 . 6.53 962 523 A 89 LEU HDx% A 86 ILE HA 1.0 . 6.53 963 524 A 89 LEU HA A 89 LEU HDx% 1.0 . 6.53 964 525 A 104 ILE HD1% A 104 ILE HA 1.0 . 6.53 965 526 A 113 LEU HA A 113 LEU HDy% 1.0 . 6.53 966 527 A 113 LEU HDx% A 113 LEU HA 1.0 . 6.53 967 528 A 49 ILE HG2% A 46 GLU HA 1.0 . 6.53 968 529 A 81 SER HA A 84 VAL HGx% 1.0 . 6.53 969 530 A 85 ILE HD1% A 46 GLU HGx 1.0 . 7.42 970 530 A 46 GLU HGy A 85 ILE HD1% 1.0 . 7.42 971 531 A 85 ILE HG2% A 49 ILE HD1% 1.0 . 7.56 972 532 A 86 ILE HA A 85 ILE HG2% 1.0 . 6.53 973 533 A 50 LEU HA A 50 LEU HDy% 1.0 . 6.53 974 534 A 54 ILE HD1% A 24 PHE HBy 1.0 . 6.53 975 535 A 54 ILE HD1% A 24 PHE HBx 1.0 . 6.53 976 536 A 53 LEU HDx% A 54 ILE H 1.0 . 6.53 977 537 A 50 LEU HDx% A 50 LEU HA 1.0 . 6.53 978 538 A 40 LEU HA A 40 LEU HDx% 1.0 . 6.53 979 539 A 40 LEU HA A 40 LEU HDy% 1.0 . 6.53 980 540 A 89 LEU HA A 89 LEU HDy% 1.0 . 6.53 981 541 A 45 ALA HB% A 70 SER HBx 1.0 . 6.53 982 542 A 45 ALA HB% A 70 SER HBy 1.0 . 6.53 983 543 A 85 ILE HG2% A 46 GLU HA 1.0 . 6.53 984 544 A 68 ILE HD1% A 68 ILE HA 1.0 . 6.53 985 545 A 49 ILE HD1% A 69 GLU HGx 1.0 . 7.42 986 545 A 69 GLU HGy A 49 ILE HD1% 1.0 . 7.42 987 546 A 93 ILE HD1% A 93 ILE HA 1.0 . 6.53 988 547 A 93 ILE HG2% A 98 LYS HEx 1.0 . 7.42 989 547 A 93 ILE HG2% A 98 LYS HEy 1.0 . 7.42 990 548 A 104 ILE HG2% A 112 LYS HEx 1.0 . 7.42 991 548 A 104 ILE HG2% A 112 LYS HEy 1.0 . 7.42 992 549 A 86 ILE HG2% A 87 GLY HAx 1.0 . 7.42 993 549 A 86 ILE HG2% A 87 GLY HAy 1.0 . 7.42 994 550 A 86 ILE HG2% A 83 ASP HA 1.0 . 6.53 995 551 A 68 ILE HD1% A 64 GLU HGx 1.0 . 7.42 996 551 A 64 GLU HGy A 68 ILE HD1% 1.0 . 7.42 997 552 A 66 ILE HD1% A 66 ILE HA 1.0 . 6.53 998 553 A 85 ILE HB A 66 ILE HD1% 1.0 . 6.53 999 554 A 23 ILE HG2% A 23 ILE HD1% 1.0 . 7.56 1000 555 A 66 ILE HG2% A 63 ARG HA 1.0 . 6.53 1001 556 A 66 ILE HG2% A 49 ILE HD1% 1.0 . 7.56 1002 557 A 66 ILE HG2% A 56 LYS HEx 1.0 . 7.42 1003 557 A 66 ILE HG2% A 56 LYS HEy 1.0 . 7.42 1004 558 A 85 ILE HD1% A 45 ALA HB% 1.0 . 7.56 1005 559 A 73 ILE HG2% A 77 SER HBx 1.0 . 7.42 1006 559 A 77 SER HBy A 73 ILE HG2% 1.0 . 7.42 1007 560 A 67 ALA HB% A 73 ILE HD1% 1.0 . 7.56 1008 561 A 85 ILE HG2% A 86 ILE HD1% 1.0 . 7.56 1009 562 A 54 ILE HG2% A 54 ILE HD1% 1.0 . 7.56 1010 563 A 82 ILE HD1% A 82 ILE HA 1.0 . 6.53 1011 564 A 66 ILE HD1% A 71 GLU HBx 1.0 . 7.42 1012 564 A 66 ILE HD1% A 71 GLU HBy 1.0 . 7.42 1013 565 A 67 ALA HB% A 73 ILE HB 1.0 . 6.53 1014 566 A 85 ILE HG2% A 46 GLU HGx 1.0 . 7.42 1015 566 A 46 GLU HGy A 85 ILE HG2% 1.0 . 7.42 1016 567 A 68 ILE HG2% A 69 GLU HGx 1.0 . 7.42 1017 567 A 69 GLU HGy A 68 ILE HG2% 1.0 . 7.42 1018 568 A 23 ILE HG2% A 35 MET HGx 1.0 . 7.41 1019 568 A 35 MET HGy A 23 ILE HG2% 1.0 . 7.41 1020 569 A 86 ILE HA A 89 LEU HDy% 1.0 . 6.53 1021 570 A 45 ALA HB% A 48 GLU HGx 1.0 . 7.42 1022 570 A 48 GLU HGy A 45 ALA HB% 1.0 . 7.42 1023 571 A 66 ILE HG2% A 69 GLU HGx 1.0 . 7.42 1024 571 A 66 ILE HG2% A 69 GLU HGy 1.0 . 7.42 1025 572 A 23 ILE HG2% A 24 PHE HBy 1.0 . 6.53 1026 573 A 23 ILE HG2% A 36 HIS HBy 1.0 . 6.53 1027 574 A 23 ILE HG2% A 36 HIS HBx 1.0 . 6.53 1028 575 A 23 ILE HG2% A 24 PHE HBx 1.0 . 6.53 1029 576 A 35 MET HA A 23 ILE HG2% 1.0 . 6.53 1030 577 A 66 ILE HD1% A 49 ILE HB 1.0 . 6.53 1031 578 A 49 ILE HG2% A 66 ILE HD1% 1.0 . 7.56 1032 579 A 67 ALA HB% A 68 ILE HB 1.0 . 6.53 1033 580 A 67 ALA HB% A 64 GLU HGx 1.0 . 7.42 1034 580 A 67 ALA HB% A 64 GLU HGy 1.0 . 7.42 1035 581 A 103 ILE HG2% A 38 LYS HEx 1.0 . 7.42 1036 581 A 103 ILE HG2% A 38 LYS HEy 1.0 . 7.42 1037 582 A 85 ILE HD1% A 81 SER HBx 1.0 . 7.42 1038 582 A 81 SER HBy A 85 ILE HD1% 1.0 . 7.42 1039 583 A 109 ILE HA A 109 ILE HD1% 1.0 . 6.53 1040 584 A 43 THR HG2% A 44 ARG HBx 1.0 . 7.42 1041 584 A 43 THR HG2% A 44 ARG HBy 1.0 . 7.42 1042 585 A 85 ILE HG2% A 50 LEU HG 1.0 . 6.53 1043 586 A 82 ILE HD1% A 63 ARG HA 1.0 . 6.53 1044 587 A 73 ILE HA A 73 ILE HD1% 1.0 . 6.53 1045 588 A 73 ILE H A 67 ALA HB% 1.0 . 6.53 1046 589 A 67 ALA HB% A 82 ILE HD1% 1.0 . 7.56 1047 590 A 24 PHE HA A 54 ILE HD1% 1.0 . 6.53 1048 591 A 45 ALA HB% A 70 SER HA 1.0 . 6.53 1049 592 A 21 ALA HB% A 24 PHE HDx 1.0 . 6.53 1050 593 A 54 ILE HD1% A 50 LEU HA 1.0 . 6.53 1051 594 A 49 ILE HA A 52 LEU HDx% 1.0 . 6.53 1052 595 A 49 ILE HA A 52 LEU HDy% 1.0 . 6.53 1053 596 A 45 ALA HB% A 73 ILE HG2% 1.0 . 7.56 1054 597 A 84 VAL HGy% A 81 SER HA 1.0 . 6.53 1055 598 A 113 LEU HDx% A 114 GLU H 1.0 . 6.53 1056 599 A 43 THR HG2% A 44 ARG HGx 1.0 . 7.42 1057 599 A 44 ARG HGy A 43 THR HG2% 1.0 . 7.42 1058 600 A 82 ILE HD1% A 63 ARG HBx 1.0 . 7.42 1059 600 A 63 ARG HBy A 82 ILE HD1% 1.0 . 7.42 1060 601 A 101 GLN H A 100 PRO HA 1.0 . 3.48 1061 602 A 101 GLN H A 103 ILE H 1.0 . 4.54 1062 603 A 24 PHE H A 23 ILE H 1.0 . 3.36 1063 604 A 23 ILE HB A 23 ILE H 1.0 . 3.48 1064 605 A 14 GLU HA A 15 VAL H 1.0 . 3.24 1065 606 A 15 VAL HB A 15 VAL H 1.0 . 4.07 1066 607 A 37 GLU H A 36 HIS HBy 1.0 . 4.35 1067 608 A 37 GLU H A 37 GLU HBy 1.0 . 4.14 1068 609 A 37 GLU H A 37 GLU HBx 1.0 . 4.14 1069 610 A 16 SER H A 15 VAL HA 1.0 . 3.42 1070 611 A 32 GLU H A 32 GLU HBx 1.0 . 3.98 1071 612 A 32 GLU H A 32 GLU HBy 1.0 . 3.98 1072 613 A 34 TYR H A 26 VAL HA 1.0 . 4.07 1073 614 A 34 TYR HBy A 34 TYR H 1.0 . 4.04 1074 615 A 34 TYR H A 34 TYR HBx 1.0 . 4.04 1075 616 A 31 ARG H A 31 ARG HBy 1.0 . 3.67 1076 617 A 31 ARG H A 31 ARG HBx 1.0 . 3.67 1077 618 A 24 PHE H A 24 PHE HBy 1.0 . 3.95 1078 619 A 24 PHE H A 24 PHE HBx 1.0 . 3.95 1079 620 A 26 VAL HB A 26 VAL H 1.0 . 3.21 1080 621 A 30 SER HBx A 30 SER H 1.0 . 3.73 1081 622 A 30 SER H A 30 SER HBy 1.0 . 3.73 1082 623 A 33 VAL H A 33 VAL HB 1.0 . 3.58 1083 624 A 35 MET HBy A 35 MET H 1.0 . 3.98 1084 625 A 39 LYS H A 38 LYS HA 1.0 . 2.83 1085 626 A 39 LYS H A 38 LYS HBx 1.0 . 4.96 1086 626 A 39 LYS H A 38 LYS HBy 1.0 . 4.96 1087 627 A 39 LYS H A 39 LYS HBx 1.0 . 3.17 1088 628 A 40 LEU H A 34 TYR HA 1.0 . 4.42 1089 629 A 40 LEU HA A 41 ASP H 1.0 . 3.42 1090 630 A 41 ASP H A 41 ASP HBy 1.0 . 3.92 1091 631 A 41 ASP H A 41 ASP HBx 1.0 . 3.92 1092 632 A 43 THR H A 43 THR HB 1.0 . 3.95 1093 633 A 46 GLU H A 46 GLU HBx 1.0 . 3.73 1094 634 A 46 GLU HBy A 46 GLU H 1.0 . 3.73 1095 635 A 47 TYR HBy A 47 TYR H 1.0 . 3.58 1096 636 A 47 TYR H A 47 TYR HBx 1.0 . 3.58 1097 637 A 48 GLU H A 48 GLU HBy 1.0 . 3.76 1098 638 A 48 GLU H A 48 GLU HBx 1.0 . 3.76 1099 639 A 49 ILE H A 49 ILE HB 1.0 . 3.45 1100 640 A 52 LEU H A 52 LEU HBy 1.0 . 3.27 1101 641 A 54 ILE HB A 54 ILE H 1.0 . 3.14 1102 642 A 59 TYR H A 59 TYR HBx 1.0 . 3.30 1103 643 A 59 TYR HBy A 59 TYR H 1.0 . 3.30 1104 644 A 60 VAL HB A 60 VAL H 1.0 . 3.14 1105 645 A 62 SER H A 62 SER HBy 1.0 . 3.64 1106 646 A 62 SER H A 62 SER HBx 1.0 . 3.64 1107 647 A 64 GLU H A 64 GLU HBy 1.0 . 3.55 1108 648 A 64 GLU H A 64 GLU HBx 1.0 . 3.55 1109 649 A 68 ILE H A 68 ILE HB 1.0 . 3.05 1110 650 A 69 GLU HBy A 69 GLU H 1.0 . 3.76 1111 651 A 69 GLU H A 69 GLU HBx 1.0 . 3.76 1112 652 A 70 SER H A 70 SER HBy 1.0 . 3.64 1113 653 A 70 SER H A 70 SER HBx 1.0 . 3.64 1114 654 A 73 ILE H A 73 ILE HB 1.0 . 3.27 1115 655 A 76 GLU H A 76 GLU HBy 1.0 . 3.33 1116 656 A 76 GLU H A 76 GLU HBx 1.0 . 3.33 1117 657 A 83 ASP H A 83 ASP HBy 1.0 . 3.58 1118 658 A 83 ASP H A 83 ASP HBx 1.0 . 3.58 1119 659 A 84 VAL H A 84 VAL HB 1.0 . 3.14 1120 660 A 85 ILE HB A 85 ILE H 1.0 . 3.27 1121 661 A 86 ILE HB A 86 ILE H 1.0 . 3.27 1122 662 A 88 ARG H A 88 ARG HBy 1.0 . 3.42 1123 663 A 88 ARG H A 88 ARG HBx 1.0 . 3.42 1124 664 A 89 LEU H A 89 LEU HBy 1.0 . 3.67 1125 665 A 89 LEU H A 89 LEU HBx 1.0 . 3.67 1126 666 A 90 ARG H A 90 ARG HBx 1.0 . 3.73 1127 667 A 90 ARG H A 90 ARG HBy 1.0 . 3.73 1128 668 A 92 LYS H A 92 LYS HBy 1.0 . 3.48 1129 669 A 93 ILE HB A 93 ILE H 1.0 . 3.70 1130 670 A 98 LYS H A 98 LYS HBy 1.0 . 3.42 1131 671 A 98 LYS H A 98 LYS HBx 1.0 . 3.42 1132 672 A 103 ILE H A 103 ILE HB 1.0 . 3.55 1133 673 A 104 ILE H A 104 ILE HB 1.0 . 3.55 1134 674 A 106 VAL HB A 106 VAL H 1.0 . 3.55 1135 675 A 109 ILE H A 109 ILE HB 1.0 . 3.42 1136 676 A 111 TYR H A 111 TYR HBy 1.0 . 4.17 1137 677 A 111 TYR H A 111 TYR HBx 1.0 . 4.17 1138 678 A 113 LEU H A 113 LEU HBy 1.0 . 4.04 1139 679 A 113 LEU H A 113 LEU HBx 1.0 . 4.04 1140 680 A 114 GLU H A 114 GLU HBx 1.0 . 3.70 1141 681 A 33 VAL H A 32 GLU HA 1.0 . 3.30 1142 682 A 24 PHE HA A 25 ARG H 1.0 . 3.05 1143 683 A 67 ALA H A 64 GLU HA 1.0 . 3.89 1144 684 A 73 ILE H A 72 SER H 1.0 . 3.55 1145 685 A 102 TYR H A 103 ILE H 1.0 . 3.39 1146 686 A 19 GLY H A 18 PRO HBx 1.0 . 4.54 1147 687 A 19 GLY H A 18 PRO HBy 1.0 . 4.54 1148 688 A 86 ILE H A 85 ILE H 1.0 . 3.42 1149 689 A 86 ILE H A 83 ASP HA 1.0 . 4.17 1150 690 A 89 LEU H A 88 ARG H 1.0 . 3.24 1151 691 A 89 LEU H A 90 ARG H 1.0 . 3.45 1152 692 A 63 ARG H A 62 SER HBx 1.0 . 4.11 1153 693 A 27 ASP HA A 28 LYS H 1.0 . 2.87 1154 694 A 113 LEU H A 112 LYS HA 1.0 . 3.52 1155 695 A 69 GLU H A 68 ILE HB 1.0 . 3.64 1156 696 A 45 ALA H A 43 THR HB 1.0 . 4.35 1157 697 A 45 ALA H A 46 GLU H 1.0 . 3.45 1158 698 A 83 ASP H A 82 ILE HB 1.0 . 3.55 1159 699 A 83 ASP H A 84 VAL H 1.0 . 3.24 1160 700 A 23 ILE HB A 24 PHE H 1.0 . 3.52 1161 701 A 52 LEU H A 50 LEU HA 1.0 . 4.48 1162 702 A 52 LEU H A 53 LEU H 1.0 . 3.33 1163 703 A 51 SER H A 52 LEU H 1.0 . 3.42 1164 704 A 27 ASP H A 26 VAL HA 1.0 . 3.05 1165 705 A 60 VAL HA A 61 PHE H 1.0 . 3.11 1166 706 A 29 ASP H A 28 LYS HBx 1.0 . 5.30 1167 706 A 29 ASP H A 28 LYS HBy 1.0 . 5.30 1168 707 A 29 ASP H A 28 LYS H 1.0 . 3.17 1169 708 A 71 GLU H A 72 SER H 1.0 . 3.89 1170 709 A 71 GLU H A 70 SER H 1.0 . 4.20 1171 710 A 71 GLU H A 67 ALA HA 1.0 . 4.35 1172 711 A 106 VAL H A 105 SER HBx 1.0 . 5.31 1173 711 A 105 SER HBy A 106 VAL H 1.0 . 5.31 1174 712 A 106 VAL H A 111 TYR HA 1.0 . 3.92 1175 713 A 110 GLY H A 106 VAL H 1.0 . 4.01 1176 714 A 50 LEU H A 49 ILE H 1.0 . 3.52 1177 715 A 32 GLU H A 27 ASP H 1.0 . 3.83 1178 716 A 112 LYS H A 111 TYR HBx 1.0 . 4.35 1179 717 A 111 TYR HBy A 112 LYS H 1.0 . 4.35 1180 718 A 112 LYS H A 111 TYR HA 1.0 . 3.21 1181 719 A 56 LYS H A 57 LYS H 1.0 . 3.61 1182 720 A 105 SER H A 104 ILE HB 1.0 . 4.32 1183 721 A 39 LYS HA A 35 MET H 1.0 . 4.20 1184 722 A 34 TYR HBy A 35 MET H 1.0 . 4.60 1185 723 A 35 MET H A 34 TYR HBx 1.0 . 4.60 1186 724 A 84 VAL HB A 85 ILE H 1.0 . 3.58 1187 725 A 43 THR H A 42 LEU HBx 1.0 . 5.27 1188 725 A 42 LEU HBy A 43 THR H 1.0 . 5.27 1189 726 A 70 SER H A 69 GLU HBx 1.0 . 4.20 1190 727 A 69 GLU HBy A 70 SER H 1.0 . 4.20 1191 728 A 70 SER H A 71 GLU HA 1.0 . 4.51 1192 729 A 69 GLU H A 70 SER H 1.0 . 3.27 1193 730 A 68 ILE H A 70 SER H 1.0 . 4.17 1194 731 A 54 ILE H A 53 LEU H 1.0 . 3.21 1195 732 A 47 TYR H A 46 GLU HBx 1.0 . 4.11 1196 733 A 47 TYR H A 46 GLU HBy 1.0 . 4.11 1197 734 A 44 ARG HA A 47 TYR H 1.0 . 4.04 1198 735 A 47 TYR H A 46 GLU H 1.0 . 3.27 1199 736 A 62 SER H A 61 PHE HA 1.0 . 2.99 1200 737 A 62 SER H A 61 PHE HBx 1.0 . 5.52 1201 737 A 61 PHE HBy A 62 SER H 1.0 . 5.52 1202 738 A 50 LEU HA A 53 LEU H 1.0 . 4.11 1203 739 A 45 ALA HA A 48 GLU H 1.0 . 4.04 1204 740 A 49 ILE H A 48 GLU H 1.0 . 3.64 1205 741 A 49 ILE H A 48 GLU HBx 1.0 . 4.04 1206 742 A 49 ILE H A 48 GLU HBy 1.0 . 4.04 1207 743 A 110 GLY H A 109 ILE H 1.0 . 2.90 1208 744 A 89 LEU HBx A 90 ARG H 1.0 . 4.17 1209 745 A 90 ARG H A 89 LEU HBy 1.0 . 4.17 1210 746 A 90 ARG H A 92 LYS H 1.0 . 4.79 1211 747 A 88 ARG H A 90 ARG H 1.0 . 4.57 1212 748 A 90 ARG H A 91 SER H 1.0 . 3.36 1213 749 A 51 SER H A 50 LEU HBx 1.0 . 5.06 1214 749 A 51 SER H A 50 LEU HBy 1.0 . 5.06 1215 750 A 51 SER H A 49 ILE H 1.0 . 4.32 1216 751 A 51 SER H A 50 LEU H 1.0 . 3.33 1217 752 A 55 SER H A 54 ILE HB 1.0 . 3.48 1218 753 A 51 SER HA A 55 SER H 1.0 . 3.92 1219 754 A 55 SER H A 56 LYS H 1.0 . 3.30 1220 755 A 55 SER H A 54 ILE H 1.0 . 3.21 1221 756 A 77 SER H A 76 GLU HBx 1.0 . 4.54 1222 757 A 77 SER H A 76 GLU HBy 1.0 . 4.54 1223 758 A 57 LYS HBx A 58 GLY H 1.0 . 4.38 1224 759 A 58 GLY H A 57 LYS HBy 1.0 . 4.38 1225 760 A 59 TYR H A 60 VAL H 1.0 . 4.17 1226 761 A 59 TYR HBy A 60 VAL H 1.0 . 4.20 1227 762 A 60 VAL H A 59 TYR HBx 1.0 . 4.20 1228 763 A 64 GLU H A 63 ARG HBx 1.0 . 4.93 1229 763 A 63 ARG HBy A 64 GLU H 1.0 . 4.93 1230 764 A 64 GLU H A 62 SER HBy 1.0 . 4.11 1231 765 A 62 SER HBx A 64 GLU H 1.0 . 4.11 1232 766 A 64 GLU H A 65 SER H 1.0 . 3.39 1233 767 A 63 ARG H A 64 GLU H 1.0 . 3.61 1234 768 A 72 SER H A 71 GLU HBx 1.0 . 5.86 1235 768 A 71 GLU HBy A 72 SER H 1.0 . 5.86 1236 769 A 86 ILE H A 87 GLY H 1.0 . 3.48 1237 770 A 84 VAL HA A 87 GLY H 1.0 . 3.95 1238 771 A 86 ILE HB A 87 GLY H 1.0 . 3.73 1239 772 A 86 ILE HA A 88 ARG H 1.0 . 4.63 1240 773 A 85 ILE HA A 88 ARG H 1.0 . 3.83 1241 774 A 87 GLY H A 88 ARG H 1.0 . 3.39 1242 775 A 92 LYS H A 91 SER H 1.0 . 3.24 1243 776 A 91 SER H A 90 ARG HBx 1.0 . 3.95 1244 777 A 91 SER H A 90 ARG HBy 1.0 . 3.95 1245 778 A 89 LEU HA A 92 LYS H 1.0 . 4.23 1246 779 A 92 LYS H A 93 ILE H 1.0 . 3.24 1247 780 A 92 LYS H A 94 GLU H 1.0 . 4.20 1248 781 A 93 ILE H A 94 GLU H 1.0 . 3.17 1249 782 A 93 ILE H A 92 LYS HBy 1.0 . 4.11 1250 783 A 92 LYS HBx A 93 ILE H 1.0 . 4.11 1251 784 A 95 LYS H A 94 GLU HBx 1.0 . 3.83 1252 785 A 95 LYS H A 94 GLU HBy 1.0 . 3.83 1253 786 A 96 ASN H A 95 LYS H 1.0 . 3.30 1254 787 A 103 ILE H A 100 PRO HBx 1.0 . 5.37 1255 787 A 103 ILE H A 100 PRO HBy 1.0 . 5.37 1256 788 A 103 ILE H A 102 TYR HBx 1.0 . 4.71 1257 788 A 102 TYR HBy A 103 ILE H 1.0 . 4.71 1258 789 A 103 ILE HA A 104 ILE H 1.0 . 3.27 1259 790 A 110 GLY H A 109 ILE HB 1.0 . 3.42 1260 791 A 61 PHE H A 62 SER H 1.0 . 4.63 1261 792 A 19 GLY H A 18 PRO HA 1.0 . 3.24 1262 793 A 25 ARG H A 24 PHE HBx 1.0 . 4.11 1263 794 A 25 ARG H A 24 PHE HBy 1.0 . 4.11 1264 795 A 33 VAL H A 34 TYR H 1.0 . 4.63 1265 796 A 34 TYR H A 25 ARG H 1.0 . 3.61 1266 797 A 45 ALA H A 44 ARG H 1.0 . 3.70 1267 798 A 44 ARG HA A 48 GLU H 1.0 . 4.48 1268 799 A 49 ILE H A 47 TYR HA 1.0 . 4.76 1269 800 A 50 LEU H A 46 GLU HA 1.0 . 4.45 1270 801 A 52 LEU H A 51 SER HBx 1.0 . 6.27 1271 801 A 52 LEU H A 51 SER HBy 1.0 . 6.27 1272 802 A 54 ILE H A 56 LYS H 1.0 . 4.29 1273 803 A 55 SER H A 53 LEU HBx 1.0 . 6.27 1274 803 A 55 SER H A 53 LEU HBy 1.0 . 6.27 1275 804 A 26 VAL H A 25 ARG HA 1.0 . 2.83 1276 805 A 33 VAL H A 40 LEU H 1.0 . 4.97 1277 806 A 34 TYR H A 33 VAL HA 1.0 . 3.21 1278 807 A 35 MET H A 34 TYR HA 1.0 . 3.08 1279 808 A 23 ILE H A 22 ASN HBx 1.0 . 6.02 1280 808 A 22 ASN HBy A 23 ILE H 1.0 . 6.02 1281 809 A 35 MET HA A 25 ARG H 1.0 . 4.14 1282 810 A 26 VAL H A 25 ARG HBx 1.0 . 5.46 1283 810 A 26 VAL H A 25 ARG HBy 1.0 . 5.46 1284 811 A 19 GLY H A 26 VAL H 1.0 . 4.88 1285 812 A 24 PHE H A 21 ALA H 1.0 . 4.54 1286 813 A 38 LYS H A 37 GLU H 1.0 . 3.45 1287 814 A 112 LYS H A 104 ILE H 1.0 . 4.01 1288 815 A 112 LYS H A 105 SER HA 1.0 . 4.48 1289 816 A 46 GLU H A 48 GLU H 1.0 . 4.60 1290 817 A 45 ALA HA A 49 ILE H 1.0 . 4.79 1291 818 A 49 ILE H A 46 GLU H 1.0 . 4.82 1292 819 A 44 ARG HA A 46 GLU H 1.0 . 4.94 1293 820 A 47 TYR H A 45 ALA H 1.0 . 4.23 1294 821 A 47 TYR H A 49 ILE H 1.0 . 5.00 1295 822 A 46 GLU HA A 48 GLU H 1.0 . 4.60 1296 823 A 51 SER H A 48 GLU H 1.0 . 4.69 1297 824 A 50 LEU H A 48 GLU H 1.0 . 4.54 1298 825 A 49 ILE HA A 53 LEU H 1.0 . 3.86 1299 826 A 56 LYS H A 54 ILE HA 1.0 . 4.60 1300 827 A 54 ILE HA A 57 LYS H 1.0 . 4.91 1301 828 A 56 LYS H A 53 LEU HA 1.0 . 4.23 1302 829 A 56 LYS H A 55 SER HBx 1.0 . 5.52 1303 829 A 55 SER HBy A 56 LYS H 1.0 . 5.52 1304 830 A 55 SER H A 52 LEU HA 1.0 . 3.73 1305 831 A 52 LEU H A 49 ILE HA 1.0 . 3.79 1306 832 A 51 SER H A 48 GLU HA 1.0 . 4.04 1307 833 A 50 LEU H A 47 TYR HA 1.0 . 3.79 1308 834 A 68 ILE H A 69 GLU H 1.0 . 3.17 1309 835 A 68 ILE H A 64 GLU HA 1.0 . 4.66 1310 836 A 69 GLU H A 66 ILE HA 1.0 . 4.91 1311 837 A 83 ASP H A 85 ILE H 1.0 . 4.17 1312 838 A 84 VAL H A 85 ILE H 1.0 . 3.24 1313 839 A 84 VAL H A 82 ILE HA 1.0 . 4.45 1314 840 A 84 VAL H A 86 ILE H 1.0 . 4.35 1315 841 A 89 LEU H A 87 GLY H 1.0 . 4.38 1316 842 A 86 ILE H A 88 ARG H 1.0 . 4.42 1317 843 A 89 LEU H A 87 GLY HAx 1.0 . 6.02 1318 843 A 89 LEU H A 87 GLY HAy 1.0 . 6.02 1319 844 A 88 ARG HA A 90 ARG H 1.0 . 4.29 1320 845 A 86 ILE HA A 90 ARG H 1.0 . 4.79 1321 846 A 89 LEU H A 91 SER H 1.0 . 4.38 1322 847 A 93 ILE H A 91 SER H 1.0 . 4.26 1323 848 A 91 SER H A 87 GLY HAx 1.0 . 5.43 1324 848 A 87 GLY HAy A 91 SER H 1.0 . 5.43 1325 849 A 92 LYS HBx A 92 LYS H 1.0 . 3.48 1326 850 A 89 LEU HA A 93 ILE H 1.0 . 5.13 1327 851 A 90 ARG HA A 93 ILE H 1.0 . 4.23 1328 852 A 94 GLU H A 94 GLU HBx 1.0 . 3.70 1329 853 A 94 GLU H A 94 GLU HBy 1.0 . 3.70 1330 854 A 90 ARG HA A 94 GLU H 1.0 . 4.01 1331 855 A 43 THR H A 42 LEU H 1.0 . 5.07 1332 856 A 43 THR H A 46 GLU H 1.0 . 4.17 1333 857 A 17 GLU H A 16 SER HBx 1.0 . 5.52 1334 857 A 16 SER HBy A 17 GLU H 1.0 . 5.52 1335 858 A 17 GLU H A 16 SER HA 1.0 . 3.05 1336 859 A 62 SER H A 65 SER H 1.0 . 4.54 1337 860 A 76 GLU H A 77 SER H 1.0 . 3.76 1338 861 A 80 LYS H A 78 SER HBx 1.0 . 5.86 1339 861 A 78 SER HBy A 80 LYS H 1.0 . 5.86 1340 862 A 61 PHE H A 112 LYS HA 1.0 . 4.66 1341 863 A 80 LYS HA A 82 ILE H 1.0 . 3.79 1342 864 A 49 ILE H A 46 GLU HA 1.0 . 4.38 1343 865 A 82 ILE HB A 82 ILE H 1.0 . 3.42 1344 866 A 63 ARG H A 62 SER HBy 1.0 . 4.11 1345 867 A 35 MET H A 35 MET HBx 1.0 . 3.98 1346 868 A 83 ASP H A 80 LYS HBx 1.0 . 6.05 1347 868 A 83 ASP H A 80 LYS HBy 1.0 . 6.05 1348 869 A 22 ASN H A 21 ALA HA 1.0 . 3.36 1349 870 A 77 SER H A 78 SER H 1.0 . 4.48 1350 871 A 96 ASN H A 92 LYS HA 1.0 . 5.07 1351 872 A 48 GLU H A 47 TYR HBx 1.0 . 4.14 1352 873 A 47 TYR HBy A 48 GLU H 1.0 . 4.14 1353 874 A 36 HIS H A 35 MET HBx 1.0 . 4.48 1354 875 A 73 ILE H A 72 SER HBx 1.0 . 5.27 1355 875 A 73 ILE H A 72 SER HBy 1.0 . 5.27 1356 876 A 36 HIS H A 35 MET HBy 1.0 . 4.48 1357 877 A 36 HIS H A 35 MET HA 1.0 . 3.17 1358 878 A 60 VAL HA A 113 LEU H 1.0 . 5.00 1359 879 A 76 GLU H A 75 PRO HA 1.0 . 3.17 1360 880 A 114 GLU H A 113 LEU HA 1.0 . 3.02 1361 881 A 99 GLN H A 38 LYS HA 1.0 . 3.58 1362 882 A 37 GLU H A 38 LYS HBx 1.0 . 6.36 1363 882 A 37 GLU H A 38 LYS HBy 1.0 . 6.36 1364 883 A 37 GLU H A 36 HIS HBx 1.0 . 4.35 1365 884 A 66 ILE HB A 66 ILE H 1.0 . 3.17 1366 885 A 65 SER H A 66 ILE H 1.0 . 3.48 1367 886 A 83 ASP H A 79 ASN HA 1.0 . 4.38 1368 887 A 77 SER HA A 64 GLU H 1.0 . 4.88 1369 888 A 85 ILE H A 81 SER HBx 1.0 . 6.27 1370 888 A 81 SER HBy A 85 ILE H 1.0 . 6.27 1371 889 A 79 ASN H A 78 SER HBx 1.0 . 6.14 1372 889 A 79 ASN H A 78 SER HBy 1.0 . 6.14 1373 890 A 68 ILE H A 66 ILE HA 1.0 . 5.10 1374 891 A 114 GLU H A 114 GLU HBy 1.0 . 3.70 1375 892 A 53 LEU HA A 58 GLY H 1.0 . 5.31 1376 893 A 113 LEU HA A 104 ILE H 1.0 . 4.42 1377 894 A 103 ILE H A 100 PRO HA 1.0 . 4.69 1378 895 A 29 ASP HBy A 30 SER H 1.0 . 3.48 1379 896 A 30 SER H A 29 ASP HBx 1.0 . 3.48 1380 897 A 28 LYS H A 18 PRO HA 1.0 . 3.42 1381 898 A 31 ARG HA A 32 GLU H 1.0 . 3.48 1382 899 A 113 LEU H A 59 TYR H 1.0 . 5.00 1383 900 A 21 ALA H A 20 ASP HBy 1.0 . 4.29 1384 901 A 21 ALA H A 20 ASP HBx 1.0 . 4.29 1385 902 A 19 GLY H A 27 ASP HA 1.0 . 3.73 1386 903 A 39 LYS H A 39 LYS HBy 1.0 . 3.17 1387 904 A 29 ASP H A 31 ARG H 1.0 . 2.93 1388 905 A 83 ASP H A 80 LYS HA 1.0 . 3.42 1389 906 A 88 ARG HA A 91 SER H 1.0 . 3.05 1390 907 A 88 ARG HA A 92 LYS H 1.0 . 3.92 1391 908 A 81 SER H A 79 ASN HA 1.0 . 4.42 1392 909 A 81 SER H A 80 LYS H 1.0 . 2.46 1393 910 A 84 VAL HA A 88 ARG H 1.0 . 3.83 1394 911 A 86 ILE HA A 89 LEU H 1.0 . 4.07 1395 912 A 61 PHE H A 60 VAL H 1.0 . 4.45 1396 913 A 21 ALA H A 25 ARG HA 1.0 . 2.99 1397 914 A 95 LYS H A 92 LYS HA 1.0 . 4.97 1398 915 A 20 ASP H A 20 ASP HBy 1.0 . 3.67 1399 916 A 20 ASP H A 20 ASP HBx 1.0 . 3.67 1400 917 A 58 GLY H A 59 TYR H 1.0 . 3.83 1401 918 A 38 LYS H A 35 MET H 1.0 . 3.30 1402 919 A 27 ASP H A 33 VAL HA 1.0 . 3.73 1403 920 A 71 GLU H A 70 SER HA 1.0 . 3.08 1404 921 A 27 ASP HBy A 27 ASP H 1.0 . 3.70 1405 922 A 27 ASP H A 27 ASP HBx 1.0 . 3.70 1406 923 A 36 HIS H A 23 ILE HA 1.0 . 3.92 1407 924 A 52 LEU H A 52 LEU HBx 1.0 . 3.27 1408 925 A 102 TYR H A 100 PRO HA 1.0 . 4.04 1409 926 A 114 GLU H A 103 ILE HA 1.0 . 4.32 1410 927 A 101 GLN H A 101 GLN HGx 1.0 . 6.39 1411 927 A 101 GLN HGy A 101 GLN H 1.0 . 6.39 1412 928 A 14 GLU H A 14 GLU HGx 1.0 . 6.39 1413 928 A 14 GLU H A 14 GLU HGy 1.0 . 6.39 1414 929 A 38 LYS H A 38 LYS HGx 1.0 . 6.39 1415 929 A 38 LYS HGy A 38 LYS H 1.0 . 6.39 1416 930 A 31 ARG H A 31 ARG HGx 1.0 . 6.39 1417 930 A 31 ARG HGy A 31 ARG H 1.0 . 6.39 1418 931 A 28 LYS H A 28 LYS HGx 1.0 . 6.05 1419 931 A 28 LYS HGy A 28 LYS H 1.0 . 6.05 1420 932 A 32 GLU H A 32 GLU HGx 1.0 . 6.39 1421 932 A 32 GLU H A 32 GLU HGy 1.0 . 6.39 1422 933 A 35 MET H A 35 MET HGx 1.0 . 6.39 1423 933 A 35 MET HGy A 35 MET H 1.0 . 6.39 1424 934 A 40 LEU H A 40 LEU HG 1.0 . 5.50 1425 935 A 44 ARG H A 44 ARG HDx 1.0 . 6.39 1426 935 A 44 ARG HDy A 44 ARG H 1.0 . 6.39 1427 936 A 46 GLU H A 46 GLU HGx 1.0 . 6.39 1428 936 A 46 GLU HGy A 46 GLU H 1.0 . 6.39 1429 937 A 48 GLU H A 48 GLU HGx 1.0 . 6.33 1430 937 A 48 GLU HGy A 48 GLU H 1.0 . 6.33 1431 938 A 49 ILE HG1y A 49 ILE H 1.0 . 4.63 1432 939 A 49 ILE H A 49 ILE HG1x 1.0 . 4.63 1433 940 A 50 LEU H A 50 LEU HG 1.0 . 4.11 1434 941 A 52 LEU H A 52 LEU HG 1.0 . 5.10 1435 942 A 53 LEU HG A 53 LEU H 1.0 . 4.42 1436 943 A 54 ILE H A 54 ILE HG1y 1.0 . 4.57 1437 944 A 56 LYS H A 56 LYS HGx 1.0 . 6.39 1438 944 A 56 LYS HGy A 56 LYS H 1.0 . 6.39 1439 945 A 57 LYS H A 57 LYS HGx 1.0 . 6.27 1440 945 A 57 LYS HGy A 57 LYS H 1.0 . 6.27 1441 946 A 63 ARG H A 63 ARG HGx 1.0 . 6.39 1442 946 A 63 ARG H A 63 ARG HGy 1.0 . 6.39 1443 947 A 64 GLU H A 64 GLU HGx 1.0 . 6.39 1444 947 A 64 GLU HGy A 64 GLU H 1.0 . 6.39 1445 948 A 69 GLU H A 69 GLU HGx 1.0 . 5.92 1446 948 A 69 GLU H A 69 GLU HGy 1.0 . 5.92 1447 949 A 71 GLU H A 71 GLU HGx 1.0 . 6.08 1448 949 A 71 GLU HGy A 71 GLU H 1.0 . 6.08 1449 950 A 76 GLU H A 76 GLU HGx 1.0 . 5.68 1450 950 A 76 GLU H A 76 GLU HGy 1.0 . 5.68 1451 951 A 80 LYS H A 80 LYS HGx 1.0 . 6.39 1452 951 A 80 LYS HGy A 80 LYS H 1.0 . 6.39 1453 952 A 85 ILE HG1y A 85 ILE H 1.0 . 4.07 1454 953 A 85 ILE H A 85 ILE HG1x 1.0 . 4.07 1455 954 A 86 ILE HG1y A 86 ILE H 1.0 . 4.66 1456 955 A 86 ILE H A 86 ILE HG1x 1.0 . 4.66 1457 956 A 89 LEU HG A 89 LEU H 1.0 . 4.01 1458 957 A 93 ILE HG1y A 93 ILE H 1.0 . 5.07 1459 958 A 93 ILE H A 93 ILE HG1x 1.0 . 5.07 1460 959 A 95 LYS H A 95 LYS HGx 1.0 . 6.39 1461 959 A 95 LYS H A 95 LYS HGy 1.0 . 6.39 1462 960 A 98 LYS H A 98 LYS HEx 1.0 . 6.39 1463 960 A 98 LYS HEy A 98 LYS H 1.0 . 6.39 1464 961 A 98 LYS H A 98 LYS HGx 1.0 . 6.30 1465 961 A 98 LYS HGy A 98 LYS H 1.0 . 6.30 1466 962 A 103 ILE HG1y A 103 ILE H 1.0 . 4.79 1467 963 A 104 ILE HG1y A 104 ILE H 1.0 . 5.19 1468 964 A 104 ILE H A 104 ILE HG1x 1.0 . 5.19 1469 965 A 109 ILE HG1y A 109 ILE H 1.0 . 4.66 1470 966 A 109 ILE H A 109 ILE HG1x 1.0 . 4.66 1471 967 A 112 LYS H A 112 LYS HGx 1.0 . 6.39 1472 967 A 112 LYS H A 112 LYS HGy 1.0 . 6.39 1473 968 A 113 LEU H A 113 LEU HG 1.0 . 5.22 1474 969 A 102 TYR H A 101 GLN HGx 1.0 . 6.39 1475 969 A 101 GLN HGy A 102 TYR H 1.0 . 6.39 1476 970 A 114 GLU H A 114 GLU HGx 1.0 . 6.39 1477 970 A 114 GLU HGy A 114 GLU H 1.0 . 6.39 1478 971 A 32 GLU H A 31 ARG HGx 1.0 . 6.39 1479 971 A 32 GLU H A 31 ARG HGy 1.0 . 6.39 1480 972 A 70 SER H A 48 GLU HGx 1.0 . 6.39 1481 972 A 48 GLU HGy A 70 SER H 1.0 . 6.39 1482 973 A 51 SER H A 50 LEU HG 1.0 . 5.10 1483 974 A 58 GLY H A 56 LYS HGx 1.0 . 6.39 1484 974 A 56 LYS HGy A 58 GLY H 1.0 . 6.39 1485 975 A 39 LYS H A 39 LYS HGx 1.0 . 6.39 1486 975 A 39 LYS H A 39 LYS HGy 1.0 . 6.39 1487 976 A 103 ILE H A 103 ILE HG1x 1.0 . 4.79 1488 977 A 54 ILE H A 54 ILE HG1x 1.0 . 4.57 1489 978 A 53 LEU H A 56 LYS HGx 1.0 . 6.39 1490 978 A 56 LYS HGy A 53 LEU H 1.0 . 6.39 1491 979 A 34 TYR H A 25 ARG HBx 1.0 . 6.39 1492 979 A 34 TYR H A 25 ARG HBy 1.0 . 6.39 1493 980 A 39 LYS H A 39 LYS HDx 1.0 . 6.39 1494 980 A 39 LYS HDy A 39 LYS H 1.0 . 6.39 1495 981 A 47 TYR H A 46 GLU HGx 1.0 . 6.39 1496 981 A 46 GLU HGy A 47 TYR H 1.0 . 6.39 1497 982 A 53 LEU HG A 54 ILE H 1.0 . 4.88 1498 983 A 39 LYS H A 39 LYS HEx 1.0 . 6.39 1499 983 A 39 LYS H A 39 LYS HEy 1.0 . 6.39 1500 984 A 56 LYS H A 56 LYS HEx 1.0 . 6.39 1501 984 A 56 LYS HEy A 56 LYS H 1.0 . 6.39 1502 985 A 63 ARG H A 63 ARG HDx 1.0 . 6.39 1503 985 A 63 ARG H A 63 ARG HDy 1.0 . 6.39 1504 986 A 64 GLU H A 63 ARG HGx 1.0 . 6.39 1505 986 A 63 ARG HGy A 64 GLU H 1.0 . 6.39 1506 987 A 67 ALA H A 66 ILE HG1y 1.0 . 5.34 1507 988 A 67 ALA H A 66 ILE HG1x 1.0 . 5.34 1508 989 A 83 ASP H A 80 LYS HGx 1.0 . 6.39 1509 989 A 83 ASP H A 80 LYS HGy 1.0 . 6.39 1510 990 A 88 ARG H A 88 ARG HDx 1.0 . 6.39 1511 990 A 88 ARG HDy A 88 ARG H 1.0 . 6.39 1512 991 A 94 GLU H A 93 ILE HG1x 1.0 . 5.50 1513 992 A 93 ILE HG1y A 94 GLU H 1.0 . 5.50 1514 993 A 65 SER H A 64 GLU HGx 1.0 . 6.39 1515 993 A 64 GLU HGy A 65 SER H 1.0 . 6.39 1516 994 A 43 THR H A 46 GLU HGx 1.0 . 6.39 1517 994 A 46 GLU HGy A 43 THR H 1.0 . 6.39 1518 995 A 17 GLU H A 18 PRO HGx 1.0 . 6.40 1519 995 A 17 GLU H A 18 PRO HGy 1.0 . 6.40 1520 996 A 59 TYR HDy A 60 VAL H 1.0 . 5.28 1521 997 A 49 ILE H A 48 GLU HGx 1.0 . 6.39 1522 997 A 48 GLU HGy A 49 ILE H 1.0 . 6.39 1523 998 A 51 SER H A 33 VAL HB 1.0 . 5.50 1524 999 A 72 SER H A 71 GLU HGx 1.0 . 6.39 1525 999 A 71 GLU HGy A 72 SER H 1.0 . 6.39 1526 1000 A 99 GLN H A 98 LYS HEx 1.0 . 6.39 1527 1000 A 99 GLN H A 98 LYS HEy 1.0 . 6.39 1528 1001 A 114 GLU H A 102 TYR HBx 1.0 . 6.39 1529 1001 A 102 TYR HBy A 114 GLU H 1.0 . 6.39 1530 1002 A 73 ILE H A 73 ILE HG1y 1.0 . 4.69 1531 1003 A 73 ILE H A 73 ILE HG1x 1.0 . 4.69 1532 1004 A 32 GLU HBy A 27 ASP H 1.0 . 5.50 1533 1005 A 27 ASP H A 32 GLU HBx 1.0 . 5.50 1534 1006 A 112 LYS H A 104 ILE HB 1.0 . 5.50 1535 1007 A 114 GLU H A 102 TYR HDy 1.0 . 7.65 1536 1007 A 114 GLU H A 102 TYR HDx 1.0 . 7.65 1537 1008 A 111 TYR HDy A 112 LYS H 1.0 . 7.65 1538 1008 A 111 TYR HDx A 112 LYS H 1.0 . 7.65 1539 1009 A 27 ASP H A 32 GLU HGx 1.0 . 6.39 1540 1009 A 32 GLU HGy A 27 ASP H 1.0 . 6.39 1541 1010 A 47 TYR H A 42 LEU HBx 1.0 . 6.39 1542 1010 A 42 LEU HBy A 47 TYR H 1.0 . 6.39 1543 1011 A 99 GLN H A 38 LYS HGx 1.0 . 6.39 1544 1011 A 38 LYS HGy A 99 GLN H 1.0 . 6.39 1545 1012 A 115 TYR H A 57 LYS HGx 1.0 . 6.39 1546 1012 A 115 TYR H A 57 LYS HGy 1.0 . 6.39 1547 1013 A 21 ALA HB% A 22 ASN H 1.0 . 6.43 1548 1014 A 23 ILE HG2% A 23 ILE H 1.0 . 5.66 1549 1015 A 15 VAL H A 15 VAL HGx% 1.0 . 7.59 1550 1015 A 15 VAL H A 15 VAL HGy% 1.0 . 7.59 1551 1016 A 35 MET HE% A 35 MET H 1.0 . 6.53 1552 1017 A 40 LEU H A 40 LEU HDx% 1.0 . 6.53 1553 1018 A 40 LEU H A 40 LEU HDy% 1.0 . 6.53 1554 1019 A 43 THR HG2% A 43 THR H 1.0 . 4.79 1555 1020 A 49 ILE H A 49 ILE HD1% 1.0 . 6.16 1556 1021 A 50 LEU H A 50 LEU HDx% 1.0 . 6.31 1557 1022 A 50 LEU H A 50 LEU HDy% 1.0 . 6.31 1558 1023 A 52 LEU H A 52 LEU HDy% 1.0 . 5.75 1559 1024 A 52 LEU H A 52 LEU HDx% 1.0 . 5.75 1560 1025 A 54 ILE HG2% A 54 ILE H 1.0 . 4.95 1561 1026 A 54 ILE H A 53 LEU HDy% 1.0 . 6.53 1562 1027 A 73 ILE H A 73 ILE HG2% 1.0 . 5.81 1563 1028 A 84 VAL H A 84 VAL HGx% 1.0 . 5.60 1564 1029 A 84 VAL H A 84 VAL HGy% 1.0 . 5.60 1565 1030 A 85 ILE HD1% A 85 ILE H 1.0 . 5.69 1566 1031 A 85 ILE HG2% A 85 ILE H 1.0 . 5.88 1567 1032 A 86 ILE HG2% A 86 ILE H 1.0 . 5.72 1568 1033 A 93 ILE HG2% A 93 ILE H 1.0 . 5.63 1569 1034 A 93 ILE HD1% A 93 ILE H 1.0 . 6.37 1570 1035 A 103 ILE HG2% A 103 ILE H 1.0 . 5.23 1571 1036 A 104 ILE HD1% A 104 ILE H 1.0 . 6.31 1572 1037 A 106 VAL H A 106 VAL HGx% 1.0 . 5.63 1573 1038 A 106 VAL H A 106 VAL HGy% 1.0 . 5.63 1574 1039 A 109 ILE H A 109 ILE HG2% 1.0 . 5.07 1575 1040 A 69 GLU H A 68 ILE HG2% 1.0 . 6.06 1576 1041 A 83 ASP H A 82 ILE HG2% 1.0 . 5.81 1577 1042 A 24 PHE H A 23 ILE HG2% 1.0 . 6.03 1578 1043 A 60 VAL HGy% A 61 PHE H 1.0 . 6.12 1579 1044 A 61 PHE H A 60 VAL HGx% 1.0 . 6.12 1580 1045 A 49 ILE HG2% A 50 LEU H 1.0 . 5.88 1581 1046 A 67 ALA HB% A 70 SER H 1.0 . 6.53 1582 1047 A 85 ILE HD1% A 46 GLU H 1.0 . 6.22 1583 1048 A 45 ALA HB% A 46 GLU H 1.0 . 5.41 1584 1049 A 45 ALA HB% A 47 TYR H 1.0 . 6.53 1585 1050 A 45 ALA HB% A 48 GLU H 1.0 . 6.53 1586 1051 A 68 ILE H A 67 ALA HB% 1.0 . 4.98 1587 1052 A 86 ILE HD1% A 90 ARG H 1.0 . 6.53 1588 1053 A 51 SER H A 50 LEU HDy% 1.0 . 6.53 1589 1054 A 51 SER H A 50 LEU HDx% 1.0 . 6.53 1590 1055 A 86 ILE HG2% A 87 GLY H 1.0 . 5.97 1591 1056 A 85 ILE HG2% A 87 GLY H 1.0 . 6.53 1592 1057 A 87 GLY H A 84 VAL HGy% 1.0 . 6.53 1593 1058 A 87 GLY H A 84 VAL HGx% 1.0 . 6.53 1594 1059 A 85 ILE HG2% A 88 ARG H 1.0 . 6.53 1595 1060 A 103 ILE HD1% A 104 ILE H 1.0 . 6.43 1596 1061 A 109 ILE HD1% A 109 ILE H 1.0 . 5.07 1597 1062 A 104 ILE HG2% A 104 ILE H 1.0 . 6.31 1598 1063 A 103 ILE HD1% A 103 ILE H 1.0 . 5.23 1599 1064 A 86 ILE HD1% A 86 ILE H 1.0 . 5.72 1600 1065 A 86 ILE HD1% A 87 GLY H 1.0 . 5.97 1601 1066 A 86 ILE HG2% A 90 ARG H 1.0 . 6.53 1602 1067 A 68 ILE H A 68 ILE HG2% 1.0 . 5.47 1603 1068 A 68 ILE H A 68 ILE HD1% 1.0 . 5.47 1604 1069 A 54 ILE HD1% A 54 ILE H 1.0 . 4.95 1605 1070 A 49 ILE HG2% A 49 ILE H 1.0 . 6.16 1606 1071 A 103 ILE HG2% A 104 ILE H 1.0 . 6.43 1607 1072 A 16 SER H A 15 VAL HGx% 1.0 . 7.59 1608 1072 A 16 SER H A 15 VAL HGy% 1.0 . 7.59 1609 1073 A 45 ALA HB% A 49 ILE H 1.0 . 6.53 1610 1074 A 50 LEU H A 49 ILE HD1% 1.0 . 5.88 1611 1075 A 26 VAL H A 26 VAL HGx% 1.0 . 5.38 1612 1076 A 26 VAL HGy% A 26 VAL H 1.0 . 5.38 1613 1077 A 113 LEU H A 113 LEU HDy% 1.0 . 6.53 1614 1078 A 113 LEU H A 113 LEU HDx% 1.0 . 6.53 1615 1079 A 66 ILE HG2% A 69 GLU H 1.0 . 6.53 1616 1080 A 67 ALA HB% A 69 GLU H 1.0 . 6.53 1617 1081 A 89 LEU H A 89 LEU HDy% 1.0 . 5.44 1618 1082 A 89 LEU HDx% A 89 LEU H 1.0 . 5.44 1619 1083 A 93 ILE HD1% A 94 GLU H 1.0 . 6.53 1620 1084 A 93 ILE HG2% A 94 GLU H 1.0 . 6.53 1621 1085 A 69 GLU H A 68 ILE HD1% 1.0 . 6.06 1622 1086 A 66 ILE HG2% A 67 ALA H 1.0 . 5.10 1623 1087 A 82 ILE HG2% A 82 ILE H 1.0 . 5.75 1624 1088 A 21 ALA HB% A 20 ASP H 1.0 . 6.53 1625 1089 A 85 ILE HG2% A 46 GLU H 1.0 . 6.06 1626 1090 A 85 ILE HG2% A 47 TYR H 1.0 . 5.94 1627 1091 A 43 THR HG2% A 44 ARG H 1.0 . 6.43 1628 1092 A 66 ILE HD1% A 66 ILE H 1.0 . 5.69 1629 1093 A 73 ILE H A 73 ILE HD1% 1.0 . 6.53 1630 1094 A 36 HIS H A 23 ILE HG2% 1.0 . 6.53 1631 1095 A 103 ILE HD1% A 102 TYR H 1.0 . 6.53 1632 1096 A 114 GLU H A 113 LEU HDy% 1.0 . 6.53 1633 1097 A 63 ARG H A 109 ILE HG2% 1.0 . 6.53 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 19 GLY H A 18 PRO HBx 1.0 . 3.99 2 1 A 19 GLY H A 18 PRO HBy 1.0 . 3.99 3 2 A 18 PRO HBx A 27 ASP HBx 1.0 . 5.19 4 2 A 18 PRO HBy A 27 ASP HBx 1.0 . 5.19 5 2 A 27 ASP HBy A 18 PRO HBx 1.0 . 5.19 6 2 A 27 ASP HBy A 18 PRO HBy 1.0 . 5.19 7 3 A 20 ASP H A 20 ASP HBx 1.0 . 3.21 8 3 A 20 ASP H A 20 ASP HBy 1.0 . 3.21 9 4 A 25 ARG HA A 20 ASP HBx 1.0 . 5.35 10 4 A 25 ARG HA A 20 ASP HBy 1.0 . 5.35 11 5 A 20 ASP HBx A 25 ARG HGx 1.0 . 6.17 12 5 A 20 ASP HBy A 25 ARG HGx 1.0 . 6.17 13 5 A 25 ARG HGy A 20 ASP HBx 1.0 . 6.17 14 5 A 20 ASP HBy A 25 ARG HGy 1.0 . 6.17 15 6 A 21 ALA HB% A 24 PHE HBx 1.0 . 6.30 16 6 A 21 ALA HB% A 24 PHE HBy 1.0 . 6.30 17 7 A 22 ASN HBx A 23 ILE HG1x 1.0 . 6.17 18 7 A 23 ILE HG1y A 22 ASN HBx 1.0 . 6.17 19 7 A 23 ILE HG1y A 22 ASN HBy 1.0 . 6.17 20 7 A 22 ASN HBy A 23 ILE HG1x 1.0 . 6.17 21 8 A 23 ILE HA A 36 HIS HBx 1.0 . 5.35 22 8 A 36 HIS HBy A 23 ILE HA 1.0 . 5.35 23 9 A 23 ILE HB A 24 PHE HBx 1.0 . 5.34 24 9 A 23 ILE HB A 24 PHE HBy 1.0 . 5.34 25 10 A 24 PHE H A 24 PHE HBx 1.0 . 3.31 26 10 A 24 PHE H A 24 PHE HBy 1.0 . 3.31 27 11 A 25 ARG H A 24 PHE HBx 1.0 . 3.53 28 11 A 25 ARG H A 24 PHE HBy 1.0 . 3.53 29 12 A 35 MET HE% A 24 PHE HBx 1.0 . 6.30 30 12 A 35 MET HE% A 24 PHE HBy 1.0 . 6.30 31 13 A 54 ILE HB A 24 PHE HBx 1.0 . 5.34 32 13 A 54 ILE HB A 24 PHE HBy 1.0 . 5.34 33 14 A 24 PHE HBx A 54 ILE HG1x 1.0 . 4.53 34 14 A 24 PHE HBy A 54 ILE HG1x 1.0 . 4.53 35 14 A 54 ILE HG1y A 24 PHE HBx 1.0 . 4.53 36 14 A 54 ILE HG1y A 24 PHE HBy 1.0 . 4.53 37 15 A 33 VAL HA A 26 VAL HGx% 1.0 . 6.43 38 15 A 26 VAL HGy% A 33 VAL HA 1.0 . 6.43 39 16 A 27 ASP HBx A 32 GLU HBx 1.0 . 5.19 40 16 A 27 ASP HBy A 32 GLU HBx 1.0 . 5.19 41 16 A 32 GLU HBy A 27 ASP HBx 1.0 . 5.19 42 16 A 27 ASP HBy A 32 GLU HBy 1.0 . 5.19 43 17 A 30 SER H A 29 ASP HBx 1.0 . 3.03 44 17 A 29 ASP HBy A 30 SER H 1.0 . 3.03 45 18 A 31 ARG H A 31 ARG HBx 1.0 . 3.13 46 18 A 31 ARG H A 31 ARG HBy 1.0 . 3.13 47 19 A 32 GLU H A 31 ARG HBx 1.0 . 4.47 48 19 A 32 GLU H A 31 ARG HBy 1.0 . 4.47 49 20 A 31 ARG HDy A 44 ARG HDx 1.0 . 6.17 50 20 A 31 ARG HDx A 44 ARG HDx 1.0 . 6.17 51 20 A 44 ARG HDy A 31 ARG HDy 1.0 . 6.17 52 20 A 44 ARG HDy A 31 ARG HDx 1.0 . 6.17 53 21 A 32 GLU HA A 41 ASP HBx 1.0 . 5.35 54 21 A 41 ASP HBy A 32 GLU HA 1.0 . 5.35 55 22 A 33 VAL H A 32 GLU HBx 1.0 . 3.85 56 22 A 32 GLU HBy A 33 VAL H 1.0 . 3.85 57 23 A 42 LEU H A 32 GLU HBx 1.0 . 5.35 58 23 A 32 GLU HBy A 42 LEU H 1.0 . 5.35 59 24 A 33 VAL H A 40 LEU HDy% 1.0 . 6.40 60 24 A 33 VAL H A 40 LEU HDx% 1.0 . 6.40 61 25 A 33 VAL HB A 47 TYR HBx 1.0 . 5.34 62 25 A 47 TYR HBy A 33 VAL HB 1.0 . 5.34 63 26 A 34 TYR H A 33 VAL HG11 1.0 . 4.90 64 26 A 34 TYR H A 33 VAL HGy% 1.0 . 4.90 65 27 A 47 TYR HA A 33 VAL HG11 1.0 . 6.43 66 27 A 33 VAL HGy% A 47 TYR HA 1.0 . 6.43 67 28 A 33 VAL HG11 A 47 TYR HBx 1.0 . 5.73 68 28 A 33 VAL HGy% A 47 TYR HBx 1.0 . 5.73 69 28 A 47 TYR HBy A 33 VAL HG11 1.0 . 5.73 70 28 A 33 VAL HGy% A 47 TYR HBy 1.0 . 5.73 71 29 A 47 TYR HDy A 33 VAL HG11 1.0 . 6.43 72 29 A 33 VAL HGy% A 47 TYR HDy 1.0 . 6.43 73 30 A 47 TYR HDx A 33 VAL HG11 1.0 . 6.43 74 30 A 47 TYR HDx A 33 VAL HGy% 1.0 . 6.43 75 31 A 33 VAL HG11 A 50 LEU HBx 1.0 . 7.27 76 31 A 33 VAL HGy% A 50 LEU HBx 1.0 . 7.27 77 31 A 50 LEU HBy A 33 VAL HG11 1.0 . 7.27 78 31 A 33 VAL HGy% A 50 LEU HBy 1.0 . 7.27 79 32 A 33 VAL HG11 A 51 SER HBx 1.0 . 7.28 80 32 A 33 VAL HGy% A 51 SER HBx 1.0 . 7.28 81 32 A 51 SER HBy A 33 VAL HG11 1.0 . 7.28 82 32 A 51 SER HBy A 33 VAL HGy% 1.0 . 7.28 83 33 A 34 TYR H A 34 TYR HBx 1.0 . 3.51 84 33 A 34 TYR HBy A 34 TYR H 1.0 . 3.51 85 34 A 34 TYR HA A 39 LYS HBy 1.0 . 5.35 86 34 A 34 TYR HA A 39 LYS HBx 1.0 . 5.35 87 35 A 35 MET H A 34 TYR HBx 1.0 . 3.82 88 35 A 34 TYR HBy A 35 MET H 1.0 . 3.82 89 36 A 35 MET H A 35 MET HBx 1.0 . 3.39 90 36 A 35 MET HBy A 35 MET H 1.0 . 3.39 91 37 A 36 HIS H A 35 MET HBx 1.0 . 3.78 92 37 A 36 HIS H A 35 MET HBy 1.0 . 3.78 93 38 A 36 HIS H A 36 HIS HBx 1.0 . 3.69 94 38 A 36 HIS H A 36 HIS HBy 1.0 . 3.69 95 39 A 36 HIS HBx A 37 GLU HBx 1.0 . 4.76 96 39 A 36 HIS HBy A 37 GLU HBx 1.0 . 4.76 97 39 A 37 GLU HBy A 36 HIS HBx 1.0 . 4.76 98 39 A 36 HIS HBy A 37 GLU HBy 1.0 . 4.76 99 40 A 37 GLU H A 37 GLU HBx 1.0 . 3.60 100 40 A 37 GLU H A 37 GLU HBy 1.0 . 3.60 101 41 A 37 GLU HBy A 98 LYS HEx 1.0 . 6.17 102 41 A 37 GLU HBx A 98 LYS HEx 1.0 . 6.17 103 41 A 98 LYS HEy A 37 GLU HBx 1.0 . 6.17 104 41 A 37 GLU HBy A 98 LYS HEy 1.0 . 6.17 105 42 A 37 GLU HBy A 101 GLN HGx 1.0 . 6.17 106 42 A 37 GLU HBx A 101 GLN HGx 1.0 . 6.17 107 42 A 101 GLN HGy A 37 GLU HBx 1.0 . 6.17 108 42 A 101 GLN HGy A 37 GLU HBy 1.0 . 6.17 109 43 A 38 LYS HEy A 101 GLN HBx 1.0 . 6.17 110 43 A 38 LYS HEx A 101 GLN HBx 1.0 . 6.17 111 43 A 101 GLN HBy A 38 LYS HEx 1.0 . 6.17 112 43 A 101 GLN HBy A 38 LYS HEy 1.0 . 6.17 113 44 A 39 LYS HBy A 39 LYS HEx 1.0 . 6.17 114 44 A 39 LYS HEy A 39 LYS HBy 1.0 . 6.17 115 44 A 39 LYS HEy A 39 LYS HBx 1.0 . 6.17 116 44 A 39 LYS HBx A 39 LYS HEx 1.0 . 6.17 117 45 A 40 LEU HDy% A 50 LEU HDy% 1.0 . 7.25 118 45 A 40 LEU HDx% A 50 LEU HDy% 1.0 . 7.25 119 45 A 50 LEU HDx% A 40 LEU HDy% 1.0 . 7.25 120 45 A 50 LEU HDx% A 40 LEU HDx% 1.0 . 7.25 121 46 A 89 LEU HA A 40 LEU HDy% 1.0 . 6.43 122 46 A 89 LEU HA A 40 LEU HDx% 1.0 . 6.43 123 47 A 41 ASP H A 89 LEU HDy% 1.0 . 6.34 124 47 A 89 LEU HDx% A 41 ASP H 1.0 . 6.34 125 48 A 42 LEU H A 42 LEU HDy% 1.0 . 6.43 126 48 A 42 LEU HDx% A 42 LEU H 1.0 . 6.43 127 49 A 42 LEU HBy A 46 GLU HBx 1.0 . 6.17 128 49 A 42 LEU HBx A 46 GLU HBx 1.0 . 6.17 129 49 A 46 GLU HBy A 42 LEU HBx 1.0 . 6.17 130 49 A 42 LEU HBy A 46 GLU HBy 1.0 . 6.17 131 50 A 42 LEU HG A 84 VAL HGx% 1.0 . 6.43 132 50 A 84 VAL HGy% A 42 LEU HG 1.0 . 6.43 133 51 A 42 LEU HDx% A 84 VAL HGx% 1.0 . 7.25 134 51 A 42 LEU HDy% A 84 VAL HGx% 1.0 . 7.25 135 51 A 84 VAL HGy% A 42 LEU HDy% 1.0 . 7.25 136 51 A 42 LEU HDx% A 84 VAL HGy% 1.0 . 7.25 137 52 A 45 ALA HA A 47 TYR HBx 1.0 . 5.34 138 52 A 47 TYR HBy A 45 ALA HA 1.0 . 5.34 139 53 A 45 ALA HB% A 48 GLU HBx 1.0 . 6.30 140 53 A 45 ALA HB% A 48 GLU HBy 1.0 . 6.30 141 54 A 45 ALA HB% A 73 ILE HG1x 1.0 . 6.30 142 54 A 45 ALA HB% A 73 ILE HG1y 1.0 . 6.30 143 55 A 46 GLU H A 46 GLU HBx 1.0 . 3.24 144 55 A 46 GLU HBy A 46 GLU H 1.0 . 3.24 145 56 A 46 GLU H A 85 ILE HG1x 1.0 . 5.35 146 56 A 85 ILE HG1y A 46 GLU H 1.0 . 5.35 147 57 A 47 TYR H A 46 GLU HBx 1.0 . 3.52 148 57 A 47 TYR H A 46 GLU HBy 1.0 . 3.52 149 58 A 50 LEU H A 46 GLU HBx 1.0 . 4.47 150 58 A 50 LEU H A 46 GLU HBy 1.0 . 4.47 151 59 A 85 ILE HG2% A 46 GLU HBx 1.0 . 6.30 152 59 A 85 ILE HG2% A 46 GLU HBy 1.0 . 6.30 153 60 A 47 TYR H A 70 SER HBy 1.0 . 5.35 154 60 A 47 TYR H A 70 SER HBx 1.0 . 5.35 155 61 A 48 GLU H A 47 TYR HBx 1.0 . 3.49 156 61 A 47 TYR HBy A 48 GLU H 1.0 . 3.49 157 62 A 47 TYR HBy A 48 GLU HGx 1.0 . 6.17 158 62 A 48 GLU HGy A 47 TYR HBx 1.0 . 6.17 159 62 A 47 TYR HBy A 48 GLU HGy 1.0 . 6.17 160 62 A 47 TYR HBx A 48 GLU HGx 1.0 . 6.17 161 63 A 48 GLU H A 48 GLU HBx 1.0 . 3.23 162 63 A 48 GLU H A 48 GLU HBy 1.0 . 3.23 163 64 A 70 SER H A 48 GLU HBx 1.0 . 5.35 164 64 A 70 SER H A 48 GLU HBy 1.0 . 5.35 165 65 A 49 ILE H A 49 ILE HG1x 1.0 . 4.01 166 65 A 49 ILE HG1y A 49 ILE H 1.0 . 4.01 167 66 A 49 ILE H A 70 SER HBy 1.0 . 5.35 168 66 A 49 ILE H A 70 SER HBx 1.0 . 5.35 169 67 A 49 ILE HG2% A 69 GLU HBx 1.0 . 6.30 170 67 A 69 GLU HBy A 49 ILE HG2% 1.0 . 6.30 171 68 A 49 ILE HG2% A 70 SER HBy 1.0 . 6.30 172 68 A 49 ILE HG2% A 70 SER HBx 1.0 . 6.30 173 69 A 49 ILE HG2% A 85 ILE HG1x 1.0 . 6.30 174 69 A 49 ILE HG2% A 85 ILE HG1y 1.0 . 6.30 175 70 A 50 LEU H A 49 ILE HG1x 1.0 . 4.30 176 70 A 49 ILE HG1y A 50 LEU H 1.0 . 4.30 177 71 A 50 LEU H A 50 LEU HDy% 1.0 . 5.28 178 71 A 50 LEU H A 50 LEU HDx% 1.0 . 5.28 179 72 A 50 LEU HG A 53 LEU HDy% 1.0 . 6.43 180 72 A 53 LEU HDx% A 50 LEU HG 1.0 . 6.43 181 73 A 50 LEU HDx% A 53 LEU HBx 1.0 . 7.27 182 73 A 50 LEU HDy% A 53 LEU HBx 1.0 . 7.27 183 73 A 53 LEU HBy A 50 LEU HDy% 1.0 . 7.27 184 73 A 50 LEU HDx% A 53 LEU HBy 1.0 . 7.27 185 74 A 50 LEU HDy% A 54 ILE HG1x 1.0 . 6.20 186 74 A 50 LEU HDx% A 54 ILE HG1x 1.0 . 6.20 187 74 A 54 ILE HG1y A 50 LEU HDy% 1.0 . 6.20 188 74 A 54 ILE HG1y A 50 LEU HDx% 1.0 . 6.20 189 75 A 54 ILE HD1% A 50 LEU HDy% 1.0 . 7.41 190 75 A 54 ILE HD1% A 50 LEU HDx% 1.0 . 7.41 191 76 A 89 LEU HG A 50 LEU HDy% 1.0 . 6.43 192 76 A 89 LEU HG A 50 LEU HDx% 1.0 . 6.43 193 77 A 52 LEU H A 52 LEU HDy% 1.0 . 5.04 194 77 A 52 LEU H A 52 LEU HDx% 1.0 . 5.04 195 78 A 53 LEU H A 52 LEU HBy 1.0 . 3.68 196 78 A 52 LEU HBx A 53 LEU H 1.0 . 3.68 197 79 A 52 LEU HBy A 53 LEU HDy% 1.0 . 5.73 198 79 A 52 LEU HBx A 53 LEU HDy% 1.0 . 5.73 199 79 A 53 LEU HDx% A 52 LEU HBy 1.0 . 5.73 200 79 A 53 LEU HDx% A 52 LEU HBx 1.0 . 5.73 201 80 A 53 LEU H A 52 LEU HDy% 1.0 . 6.19 202 80 A 52 LEU HDx% A 53 LEU H 1.0 . 6.19 203 81 A 53 LEU HA A 52 LEU HDy% 1.0 . 6.43 204 81 A 52 LEU HDx% A 53 LEU HA 1.0 . 6.43 205 82 A 55 SER H A 52 LEU HDy% 1.0 . 6.43 206 82 A 55 SER H A 52 LEU HDx% 1.0 . 6.43 207 83 A 52 LEU HDy% A 56 LYS HEx 1.0 . 7.27 208 83 A 52 LEU HDx% A 56 LYS HEx 1.0 . 7.27 209 83 A 56 LYS HEy A 52 LEU HDy% 1.0 . 7.27 210 83 A 56 LYS HEy A 52 LEU HDx% 1.0 . 7.27 211 84 A 52 LEU HDy% A 69 GLU HGx 1.0 . 7.27 212 84 A 52 LEU HDx% A 69 GLU HGx 1.0 . 7.27 213 84 A 69 GLU HGy A 52 LEU HDy% 1.0 . 7.27 214 84 A 69 GLU HGy A 52 LEU HDx% 1.0 . 7.27 215 85 A 53 LEU H A 53 LEU HDy% 1.0 . 5.26 216 85 A 53 LEU HDx% A 53 LEU H 1.0 . 5.26 217 86 A 54 ILE H A 53 LEU HDy% 1.0 . 5.42 218 86 A 53 LEU HDx% A 54 ILE H 1.0 . 5.42 219 87 A 54 ILE HA A 53 LEU HDy% 1.0 . 6.43 220 87 A 53 LEU HDx% A 54 ILE HA 1.0 . 6.43 221 88 A 54 ILE HB A 53 LEU HDy% 1.0 . 6.43 222 88 A 53 LEU HDx% A 54 ILE HB 1.0 . 6.43 223 89 A 55 SER H A 53 LEU HDy% 1.0 . 6.43 224 89 A 55 SER H A 53 LEU HDx% 1.0 . 6.43 225 90 A 53 LEU HDy% A 61 PHE HBx 1.0 . 7.27 226 90 A 61 PHE HBy A 53 LEU HDy% 1.0 . 7.27 227 90 A 61 PHE HBy A 53 LEU HDx% 1.0 . 7.27 228 90 A 53 LEU HDx% A 61 PHE HBx 1.0 . 7.27 229 91 A 61 PHE HDy A 53 LEU HDy% 1.0 . 6.43 230 91 A 53 LEU HDx% A 61 PHE HDy 1.0 . 6.43 231 92 A 61 PHE HDx A 53 LEU HDy% 1.0 . 6.43 232 92 A 61 PHE HDx A 53 LEU HDx% 1.0 . 6.43 233 93 A 54 ILE HA A 57 LYS HBy 1.0 . 5.35 234 93 A 57 LYS HBx A 54 ILE HA 1.0 . 5.35 235 94 A 56 LYS HEx A 57 LYS HBy 1.0 . 6.17 236 94 A 56 LYS HEy A 57 LYS HBy 1.0 . 6.17 237 94 A 57 LYS HBx A 56 LYS HEx 1.0 . 6.17 238 94 A 56 LYS HEy A 57 LYS HBx 1.0 . 6.17 239 95 A 58 GLY H A 57 LYS HBy 1.0 . 3.82 240 95 A 57 LYS HBx A 58 GLY H 1.0 . 3.82 241 96 A 114 GLU HA A 57 LYS HBy 1.0 . 5.35 242 96 A 57 LYS HBx A 114 GLU HA 1.0 . 5.35 243 97 A 115 TYR H A 57 LYS HBy 1.0 . 5.03 244 97 A 115 TYR H A 57 LYS HBx 1.0 . 5.03 245 98 A 113 LEU H A 58 GLY HAy 1.0 . 4.56 246 98 A 113 LEU H A 58 GLY HAx 1.0 . 4.56 247 99 A 58 GLY HAx A 114 GLU HGx 1.0 . 6.17 248 99 A 58 GLY HAy A 114 GLU HGx 1.0 . 6.17 249 99 A 114 GLU HGy A 58 GLY HAy 1.0 . 6.17 250 99 A 114 GLU HGy A 58 GLY HAx 1.0 . 6.17 251 100 A 59 TYR H A 60 VAL HGx% 1.0 . 6.43 252 100 A 60 VAL HGy% A 59 TYR H 1.0 . 6.43 253 101 A 59 TYR H A 113 LEU HBy 1.0 . 5.20 254 101 A 113 LEU HBx A 59 TYR H 1.0 . 5.20 255 102 A 61 PHE H A 60 VAL HGx% 1.0 . 5.20 256 102 A 60 VAL HGy% A 61 PHE H 1.0 . 5.20 257 103 A 60 VAL HGy% A 61 PHE HBx 1.0 . 7.27 258 103 A 60 VAL HGx% A 61 PHE HBx 1.0 . 7.27 259 103 A 61 PHE HBy A 60 VAL HGx% 1.0 . 7.27 260 103 A 60 VAL HGy% A 61 PHE HBy 1.0 . 7.27 261 104 A 60 VAL HGy% A 110 GLY HAx 1.0 . 5.37 262 104 A 60 VAL HGx% A 110 GLY HAx 1.0 . 5.37 263 104 A 110 GLY HAy A 60 VAL HGx% 1.0 . 5.37 264 104 A 110 GLY HAy A 60 VAL HGy% 1.0 . 5.37 265 105 A 112 LYS HA A 60 VAL HGx% 1.0 . 6.43 266 105 A 60 VAL HGy% A 112 LYS HA 1.0 . 6.43 267 106 A 60 VAL HGy% A 112 LYS HBy 1.0 . 6.20 268 106 A 60 VAL HGx% A 112 LYS HBy 1.0 . 6.20 269 106 A 112 LYS HBx A 60 VAL HGx% 1.0 . 6.20 270 106 A 60 VAL HGy% A 112 LYS HBx 1.0 . 6.20 271 107 A 60 VAL HGx% A 112 LYS HGx 1.0 . 7.27 272 107 A 112 LYS HGy A 60 VAL HGx% 1.0 . 7.27 273 107 A 60 VAL HGy% A 112 LYS HGy 1.0 . 7.27 274 107 A 60 VAL HGy% A 112 LYS HGx 1.0 . 7.27 275 108 A 62 SER HA A 110 GLY HAx 1.0 . 5.35 276 108 A 110 GLY HAy A 62 SER HA 1.0 . 5.35 277 109 A 63 ARG H A 62 SER HBy 1.0 . 3.46 278 109 A 63 ARG H A 62 SER HBx 1.0 . 3.46 279 110 A 62 SER HBy A 64 GLU HBx 1.0 . 5.19 280 110 A 62 SER HBx A 64 GLU HBx 1.0 . 5.19 281 110 A 64 GLU HBy A 62 SER HBy 1.0 . 5.19 282 110 A 62 SER HBx A 64 GLU HBy 1.0 . 5.19 283 111 A 65 SER H A 62 SER HBy 1.0 . 3.35 284 111 A 62 SER HBx A 65 SER H 1.0 . 3.35 285 112 A 66 ILE HG2% A 62 SER HBy 1.0 . 6.30 286 112 A 66 ILE HG2% A 62 SER HBx 1.0 . 6.30 287 113 A 63 ARG HBy A 82 ILE HG1x 1.0 . 6.17 288 113 A 63 ARG HBx A 82 ILE HG1x 1.0 . 6.17 289 113 A 82 ILE HG1y A 63 ARG HBx 1.0 . 6.17 290 113 A 63 ARG HBy A 82 ILE HG1y 1.0 . 6.17 291 114 A 63 ARG HBy A 110 GLY HAx 1.0 . 6.17 292 114 A 63 ARG HBx A 110 GLY HAx 1.0 . 6.17 293 114 A 110 GLY HAy A 63 ARG HBx 1.0 . 6.17 294 114 A 110 GLY HAy A 63 ARG HBy 1.0 . 6.17 295 115 A 63 ARG HGy A 110 GLY HAx 1.0 . 6.17 296 115 A 63 ARG HGx A 110 GLY HAx 1.0 . 6.17 297 115 A 110 GLY HAy A 63 ARG HGx 1.0 . 6.17 298 115 A 110 GLY HAy A 63 ARG HGy 1.0 . 6.17 299 116 A 64 GLU H A 64 GLU HBx 1.0 . 3.09 300 116 A 64 GLU H A 64 GLU HBy 1.0 . 3.09 301 117 A 65 SER H A 64 GLU HBx 1.0 . 3.65 302 117 A 65 SER H A 64 GLU HBy 1.0 . 3.65 303 118 A 66 ILE HG2% A 69 GLU HBx 1.0 . 6.30 304 118 A 69 GLU HBy A 66 ILE HG2% 1.0 . 6.30 305 119 A 67 ALA H A 66 ILE HG1x 1.0 . 4.50 306 119 A 67 ALA H A 66 ILE HG1y 1.0 . 4.50 307 120 A 68 ILE H A 66 ILE HG1x 1.0 . 5.35 308 120 A 68 ILE H A 66 ILE HG1y 1.0 . 5.35 309 121 A 69 GLU H A 66 ILE HG1x 1.0 . 5.35 310 121 A 69 GLU H A 66 ILE HG1y 1.0 . 5.35 311 122 A 66 ILE HD1% A 85 ILE HG1x 1.0 . 6.30 312 122 A 66 ILE HD1% A 85 ILE HG1y 1.0 . 6.30 313 123 A 67 ALA HB% A 68 ILE HG1y 1.0 . 6.30 314 123 A 67 ALA HB% A 68 ILE HG1x 1.0 . 6.30 315 124 A 68 ILE H A 68 ILE HG1y 1.0 . 3.74 316 124 A 68 ILE H A 68 ILE HG1x 1.0 . 3.74 317 125 A 68 ILE HG2% A 69 GLU HBx 1.0 . 6.30 318 125 A 69 GLU HBy A 68 ILE HG2% 1.0 . 6.30 319 126 A 69 GLU H A 69 GLU HBx 1.0 . 3.18 320 126 A 69 GLU HBy A 69 GLU H 1.0 . 3.18 321 127 A 71 GLU H A 70 SER HBy 1.0 . 4.35 322 127 A 71 GLU H A 70 SER HBx 1.0 . 4.35 323 128 A 73 ILE H A 73 ILE HG1x 1.0 . 4.04 324 128 A 73 ILE H A 73 ILE HG1y 1.0 . 4.04 325 129 A 75 PRO HBx A 78 SER HBx 1.0 . 6.18 326 129 A 75 PRO HBy A 78 SER HBx 1.0 . 6.18 327 129 A 78 SER HBy A 75 PRO HBy 1.0 . 6.18 328 129 A 78 SER HBy A 75 PRO HBx 1.0 . 6.18 329 130 A 79 ASN H A 75 PRO HBy 1.0 . 5.35 330 130 A 79 ASN H A 75 PRO HBx 1.0 . 5.35 331 131 A 76 GLU H A 76 GLU HBx 1.0 . 2.89 332 131 A 76 GLU H A 76 GLU HBy 1.0 . 2.89 333 132 A 77 SER H A 76 GLU HBx 1.0 . 3.99 334 132 A 77 SER H A 76 GLU HBy 1.0 . 3.99 335 133 A 80 LYS HA A 83 ASP HBx 1.0 . 5.35 336 133 A 80 LYS HA A 83 ASP HBy 1.0 . 5.35 337 134 A 80 LYS HGy A 83 ASP HBx 1.0 . 6.17 338 134 A 80 LYS HGx A 83 ASP HBx 1.0 . 6.17 339 134 A 83 ASP HBy A 80 LYS HGx 1.0 . 6.17 340 134 A 80 LYS HGy A 83 ASP HBy 1.0 . 6.17 341 135 A 81 SER HBy A 84 VAL HGx% 1.0 . 7.27 342 135 A 81 SER HBx A 84 VAL HGx% 1.0 . 7.27 343 135 A 84 VAL HGy% A 81 SER HBx 1.0 . 7.27 344 135 A 81 SER HBy A 84 VAL HGy% 1.0 . 7.27 345 136 A 82 ILE H A 82 ILE HG1x 1.0 . 4.41 346 136 A 82 ILE HG1y A 82 ILE H 1.0 . 4.41 347 137 A 82 ILE HG1x A 85 ILE HG1x 1.0 . 5.19 348 137 A 82 ILE HG1y A 85 ILE HG1x 1.0 . 5.19 349 137 A 85 ILE HG1y A 82 ILE HG1x 1.0 . 5.19 350 137 A 82 ILE HG1y A 85 ILE HG1y 1.0 . 5.19 351 138 A 85 ILE HD1% A 82 ILE HG1x 1.0 . 6.30 352 138 A 82 ILE HG1y A 85 ILE HD1% 1.0 . 6.30 353 139 A 83 ASP H A 83 ASP HBx 1.0 . 3.13 354 139 A 83 ASP H A 83 ASP HBy 1.0 . 3.13 355 140 A 83 ASP H A 84 VAL HGx% 1.0 . 6.43 356 140 A 83 ASP H A 84 VAL HGy% 1.0 . 6.43 357 141 A 84 VAL H A 84 VAL HGx% 1.0 . 4.26 358 141 A 84 VAL H A 84 VAL HGy% 1.0 . 4.26 359 142 A 85 ILE H A 84 VAL HGx% 1.0 . 5.74 360 142 A 84 VAL HGy% A 85 ILE H 1.0 . 5.74 361 143 A 84 VAL HGy% A 87 GLY HAx 1.0 . 7.27 362 143 A 84 VAL HGx% A 87 GLY HAx 1.0 . 7.27 363 143 A 87 GLY HAy A 84 VAL HGx% 1.0 . 7.27 364 143 A 84 VAL HGy% A 87 GLY HAy 1.0 . 7.27 365 144 A 85 ILE HG2% A 86 ILE HG1x 1.0 . 6.30 366 144 A 86 ILE HG1y A 85 ILE HG2% 1.0 . 6.30 367 145 A 86 ILE H A 86 ILE HG1x 1.0 . 3.85 368 145 A 86 ILE HG1y A 86 ILE H 1.0 . 3.85 369 146 A 86 ILE HG2% A 89 LEU HBy 1.0 . 6.30 370 146 A 86 ILE HG2% A 89 LEU HBx 1.0 . 6.30 371 147 A 88 ARG H A 89 LEU HBy 1.0 . 4.62 372 147 A 88 ARG H A 89 LEU HBx 1.0 . 4.62 373 148 A 89 LEU H A 88 ARG HBx 1.0 . 3.68 374 148 A 89 LEU H A 88 ARG HBy 1.0 . 3.68 375 149 A 89 LEU H A 89 LEU HBy 1.0 . 3.09 376 149 A 89 LEU H A 89 LEU HBx 1.0 . 3.09 377 150 A 90 ARG H A 89 LEU HBy 1.0 . 3.32 378 150 A 89 LEU HBx A 90 ARG H 1.0 . 3.32 379 151 A 91 SER H A 89 LEU HDy% 1.0 . 6.43 380 151 A 89 LEU HDx% A 91 SER H 1.0 . 6.43 381 152 A 90 ARG HBx A 94 GLU HBx 1.0 . 5.19 382 152 A 90 ARG HBy A 94 GLU HBx 1.0 . 5.19 383 152 A 94 GLU HBy A 90 ARG HBx 1.0 . 5.19 384 152 A 90 ARG HBy A 94 GLU HBy 1.0 . 5.19 385 153 A 90 ARG HDx A 94 GLU HBx 1.0 . 6.17 386 153 A 90 ARG HDy A 94 GLU HBx 1.0 . 6.17 387 153 A 94 GLU HBy A 90 ARG HDx 1.0 . 6.17 388 153 A 90 ARG HDy A 94 GLU HBy 1.0 . 6.17 389 154 A 91 SER HA A 93 ILE HG1x 1.0 . 5.35 390 154 A 91 SER HA A 93 ILE HG1y 1.0 . 5.35 391 155 A 91 SER HA A 94 GLU HBx 1.0 . 5.35 392 155 A 91 SER HA A 94 GLU HBy 1.0 . 5.35 393 156 A 93 ILE H A 92 LYS HBy 1.0 . 3.57 394 156 A 92 LYS HBx A 93 ILE H 1.0 . 3.57 395 157 A 93 ILE H A 93 ILE HG1x 1.0 . 4.42 396 157 A 93 ILE HG1y A 93 ILE H 1.0 . 4.42 397 158 A 93 ILE HG1x A 98 LYS HEx 1.0 . 6.17 398 158 A 93 ILE HG1y A 98 LYS HEx 1.0 . 6.17 399 158 A 98 LYS HEy A 93 ILE HG1x 1.0 . 6.17 400 158 A 93 ILE HG1y A 98 LYS HEy 1.0 . 6.17 401 159 A 98 LYS H A 98 LYS HBy 1.0 . 2.94 402 159 A 98 LYS H A 98 LYS HBx 1.0 . 2.94 403 160 A 99 GLN H A 98 LYS HBy 1.0 . 3.56 404 160 A 99 GLN H A 98 LYS HBx 1.0 . 3.56 405 161 A 102 TYR H A 101 GLN HBx 1.0 . 4.24 406 161 A 101 GLN HBy A 102 TYR H 1.0 . 4.24 407 162 A 102 TYR HBy A 103 ILE HG1x 1.0 . 6.17 408 162 A 102 TYR HBx A 103 ILE HG1x 1.0 . 6.17 409 162 A 103 ILE HG1y A 102 TYR HBx 1.0 . 6.17 410 162 A 103 ILE HG1y A 102 TYR HBy 1.0 . 6.17 411 163 A 103 ILE HA A 113 LEU HDy% 1.0 . 6.43 412 163 A 113 LEU HDx% A 103 ILE HA 1.0 . 6.43 413 164 A 103 ILE HG2% A 113 LEU HDy% 1.0 . 7.41 414 164 A 113 LEU HDx% A 103 ILE HG2% 1.0 . 7.41 415 165 A 104 ILE H A 104 ILE HG1x 1.0 . 4.49 416 165 A 104 ILE HG1y A 104 ILE H 1.0 . 4.49 417 166 A 104 ILE HG2% A 112 LYS HBy 1.0 . 6.30 418 166 A 112 LYS HBx A 104 ILE HG2% 1.0 . 6.30 419 167 A 105 SER H A 104 ILE HG1x 1.0 . 5.35 420 167 A 104 ILE HG1y A 105 SER H 1.0 . 5.35 421 168 A 105 SER HA A 111 TYR HBx 1.0 . 5.34 422 168 A 111 TYR HBy A 105 SER HA 1.0 . 5.34 423 169 A 107 ARG H A 106 VAL HGx% 1.0 . 6.43 424 169 A 107 ARG H A 106 VAL HGy% 1.0 . 6.43 425 170 A 110 GLY H A 106 VAL HGx% 1.0 . 5.26 426 170 A 110 GLY H A 106 VAL HGy% 1.0 . 5.26 427 171 A 111 TYR HA A 106 VAL HGx% 1.0 . 6.43 428 171 A 106 VAL HGy% A 111 TYR HA 1.0 . 6.43 429 172 A 107 ARG HA A 108 GLY HAy 1.0 . 5.35 430 172 A 107 ARG HA A 108 GLY HAx 1.0 . 5.35 431 173 A 109 ILE HA A 108 GLY HAy 1.0 . 5.35 432 173 A 109 ILE HA A 108 GLY HAx 1.0 . 5.35 433 174 A 109 ILE HG2% A 108 GLY HAy 1.0 . 6.30 434 174 A 109 ILE HG2% A 108 GLY HAx 1.0 . 6.30 435 175 A 109 ILE H A 109 ILE HG1x 1.0 . 4.07 436 175 A 109 ILE HG1y A 109 ILE H 1.0 . 4.07 437 176 A 109 ILE H A 110 GLY HAx 1.0 . 4.65 438 176 A 110 GLY HAy A 109 ILE H 1.0 . 4.65 439 177 A 111 TYR H A 111 TYR HBx 1.0 . 3.56 440 177 A 111 TYR H A 111 TYR HBy 1.0 . 3.56 441 178 A 112 LYS H A 111 TYR HBx 1.0 . 3.69 442 178 A 111 TYR HBy A 112 LYS H 1.0 . 3.69 443 179 A 112 LYS H A 112 LYS HBy 1.0 . 3.69 444 179 A 112 LYS HBx A 112 LYS H 1.0 . 3.69 445 180 A 112 LYS HA A 113 LEU HBy 1.0 . 5.35 446 180 A 112 LYS HA A 113 LEU HBx 1.0 . 5.35 447 181 A 113 LEU H A 112 LYS HBy 1.0 . 3.94 448 181 A 112 LYS HBx A 113 LEU H 1.0 . 3.94 449 182 A 112 LYS HEy A 114 GLU HBx 1.0 . 6.17 450 182 A 112 LYS HEx A 114 GLU HBx 1.0 . 6.17 451 182 A 114 GLU HBy A 112 LYS HEx 1.0 . 6.17 452 182 A 112 LYS HEy A 114 GLU HBy 1.0 . 6.17 453 183 A 113 LEU H A 113 LEU HBy 1.0 . 3.53 454 183 A 113 LEU H A 113 LEU HBx 1.0 . 3.53 455 184 A 114 GLU H A 113 LEU HDy% 1.0 . 5.71 456 184 A 113 LEU HDx% A 114 GLU H 1.0 . 5.71 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 47 TYR H A 43 THR O 1.0 . 2.0 2 2 A 43 THR O A 47 TYR N 1.0 . 3.0 3 3 A 48 GLU H A 44 ARG O 1.0 . 2.0 4 4 A 44 ARG O A 48 GLU N 1.0 . 3.0 5 5 A 49 ILE H A 45 ALA O 1.0 . 2.0 6 6 A 45 ALA O A 49 ILE N 1.0 . 3.0 7 7 A 50 LEU H A 46 GLU O 1.0 . 2.0 8 8 A 46 GLU O A 50 LEU N 1.0 . 3.0 9 9 A 51 SER H A 47 TYR O 1.0 . 2.0 10 10 A 47 TYR O A 51 SER N 1.0 . 3.0 11 11 A 52 LEU H A 48 GLU O 1.0 . 2.0 12 12 A 48 GLU O A 52 LEU N 1.0 . 3.0 13 13 A 53 LEU H A 49 ILE O 1.0 . 2.0 14 14 A 49 ILE O A 53 LEU N 1.0 . 3.0 15 15 A 54 ILE H A 50 LEU O 1.0 . 2.0 16 16 A 50 LEU O A 54 ILE N 1.0 . 3.0 17 17 A 55 SER H A 51 SER O 1.0 . 2.0 18 18 A 51 SER O A 55 SER N 1.0 . 3.0 19 19 A 56 LYS H A 52 LEU O 1.0 . 2.0 20 20 A 52 LEU O A 56 LYS N 1.0 . 3.0 21 21 A 57 LYS H A 53 LEU O 1.0 . 2.0 22 22 A 53 LEU O A 57 LYS N 1.0 . 3.0 23 23 A 66 ILE H A 62 SER O 1.0 . 2.0 24 24 A 62 SER O A 66 ILE N 1.0 . 3.0 25 25 A 67 ALA H A 63 ARG O 1.0 . 2.0 26 26 A 63 ARG O A 67 ALA N 1.0 . 3.0 27 27 A 68 ILE H A 64 GLU O 1.0 . 2.0 28 28 A 64 GLU O A 68 ILE N 1.0 . 3.0 29 29 A 69 GLU H A 65 SER O 1.0 . 2.0 30 30 A 65 SER O A 69 GLU N 1.0 . 3.0 31 31 A 70 SER H A 66 ILE O 1.0 . 2.0 32 32 A 66 ILE O A 70 SER N 1.0 . 3.0 33 33 A 85 ILE H A 81 SER O 1.0 . 2.0 34 34 A 81 SER O A 85 ILE N 1.0 . 3.0 35 35 A 86 ILE H A 82 ILE O 1.0 . 2.0 36 36 A 82 ILE O A 86 ILE N 1.0 . 3.0 37 37 A 87 GLY H A 83 ASP O 1.0 . 2.0 38 38 A 83 ASP O A 87 GLY N 1.0 . 3.0 39 39 A 88 ARG H A 84 VAL O 1.0 . 2.0 40 40 A 84 VAL O A 88 ARG N 1.0 . 3.0 41 41 A 89 LEU H A 85 ILE O 1.0 . 2.0 42 42 A 85 ILE O A 89 LEU N 1.0 . 3.0 43 43 A 90 ARG H A 86 ILE O 1.0 . 2.0 44 44 A 86 ILE O A 90 ARG N 1.0 . 3.0 45 45 A 91 SER H A 87 GLY O 1.0 . 2.0 46 46 A 87 GLY O A 91 SER N 1.0 . 3.0 47 47 A 92 LYS H A 88 ARG O 1.0 . 2.0 48 48 A 88 ARG O A 92 LYS N 1.0 . 3.0 49 49 A 93 ILE H A 89 LEU O 1.0 . 2.0 50 50 A 89 LEU O A 93 ILE N 1.0 . 3.0 51 51 A 94 GLU H A 90 ARG O 1.0 . 2.0 52 52 A 90 ARG O A 94 GLU N 1.0 . 3.0 53 53 A 95 LYS H A 91 SER O 1.0 . 2.0 54 54 A 91 SER O A 95 LYS N 1.0 . 3.0 55 55 A 96 ASN H A 92 LYS O 1.0 . 2.0 56 56 A 92 LYS O A 96 ASN N 1.0 . 3.0 57 57 A 19 GLY H A 26 VAL O 1.0 . 2.0 58 58 A 26 VAL O A 19 GLY N 1.0 . 3.0 59 59 A 26 VAL H A 19 GLY O 1.0 . 2.0 60 60 A 19 GLY O A 26 VAL N 1.0 . 3.0 61 61 A 24 PHE H A 21 ALA O 1.0 . 2.0 62 62 A 21 ALA O A 24 PHE N 1.0 . 3.0 63 63 A 21 ALA H A 24 PHE O 1.0 . 2.0 64 64 A 24 PHE O A 21 ALA N 1.0 . 3.0 65 65 A 25 ARG H A 34 TYR O 1.0 . 2.0 66 66 A 34 TYR O A 25 ARG N 1.0 . 3.0 67 67 A 34 TYR H A 25 ARG O 1.0 . 2.0 68 68 A 25 ARG O A 34 TYR N 1.0 . 3.0 69 69 A 32 GLU H A 27 ASP O 1.0 . 2.0 70 70 A 27 ASP O A 32 GLU N 1.0 . 3.0 71 71 A 27 ASP H A 32 GLU O 1.0 . 2.0 72 72 A 32 GLU O A 27 ASP N 1.0 . 3.0 73 73 A 33 VAL H A 40 LEU O 1.0 . 2.0 74 74 A 40 LEU O A 33 VAL N 1.0 . 3.0 75 75 A 40 LEU H A 33 VAL O 1.0 . 2.0 76 76 A 33 VAL O A 40 LEU N 1.0 . 3.0 77 77 A 35 MET H A 38 LYS O 1.0 . 2.0 78 78 A 38 LYS O A 35 MET N 1.0 . 3.0 79 79 A 38 LYS H A 35 MET O 1.0 . 2.0 80 80 A 35 MET O A 38 LYS N 1.0 . 3.0 81 81 A 104 ILE H A 112 LYS O 1.0 . 2.0 82 82 A 112 LYS O A 104 ILE N 1.0 . 3.0 83 83 A 112 LYS H A 104 ILE O 1.0 . 2.0 84 84 A 104 ILE O A 112 LYS N 1.0 . 3.0 85 85 A 106 VAL H A 110 GLY O 1.0 . 2.0 86 86 A 110 GLY O A 106 VAL N 1.0 . 3.0 87 87 A 110 GLY H A 106 VAL O 1.0 . 2.0 88 88 A 106 VAL O A 110 GLY N 1.0 . 3.0 89 89 A 113 LEU H A 59 TYR O 1.0 . 2.0 90 90 A 59 TYR O A 113 LEU N 1.0 . 3.0 91 91 A 59 TYR H A 113 LEU O 1.0 . 2.0 92 92 A 113 LEU O A 59 TYR N 1.0 . 3.0 93 93 A 61 PHE H A 111 TYR O 1.0 . 2.0 94 94 A 111 TYR O A 61 PHE N 1.0 . 3.0 95 95 A 111 TYR H A 61 PHE O 1.0 . 2.0 96 96 A 61 PHE O A 111 TYR N 1.0 . 3.0 stop_ save_