data_nef_c19530_2mh9 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MH9 stop_ 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 CYS start . . 2 A 2 LYS middle . . 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 ASP middle . . 6 A 6 TYR middle . . 7 A 7 LYS middle . . 8 A 8 THR middle . . 9 A 9 ARG middle . . 10 A 10 ASP middle . . 11 A 11 VAL middle . . 12 A 12 THR middle . . 13 A 13 ASP middle . . 14 A 14 ASP middle . . 15 A 15 VAL middle . . 16 A 16 LYS middle . . 17 A 17 SER middle . . 18 A 18 ILE middle . . 19 A 19 VAL middle . . 20 A 20 ARG middle . . 21 A 21 PHE middle . . 22 A 22 VAL middle . . 23 A 23 GLN middle . . 24 A 24 GLU middle . . 25 A 25 HIS middle . . 26 A 26 SER middle . . 27 A 27 SER middle . . 28 A 28 SER middle . . 29 A 29 GLN middle . . 30 A 30 GLY middle . false 31 A 31 MET middle . . 32 A 32 ARG middle . . 33 A 33 ASN middle . . 34 A 34 ILE middle . . 35 A 35 LYS middle . . 36 A 36 HIS middle . . 37 A 37 VAL middle . . 38 A 38 GLY middle . false 39 A 39 PRO middle . false 40 A 40 SER middle . . 41 A 41 GLY middle . false 42 A 42 ARG middle . . 43 A 43 PHE middle . . 44 A 44 THR middle . . 45 A 45 MET middle . . 46 A 46 ASN middle . . 47 A 47 MET middle . . 48 A 48 LEU middle . . 49 A 49 VAL middle . . 50 A 50 ASP middle . . 51 A 51 ILE middle . . 52 A 52 PHE middle . . 53 A 53 LEU middle . . 54 A 54 GLY middle . false 55 A 55 SER middle . . 56 A 56 LYS middle . . 57 A 57 SER middle . . 58 A 58 ALA middle . . 59 A 59 LYS middle . . 60 A 60 ILE middle . . 61 A 61 GLN middle . . 62 A 62 SER middle . . 63 A 63 GLY middle . false 64 A 64 ILE middle . . 65 A 65 PHE middle . . 66 A 66 GLY middle . false 67 A 67 LYS middle . . 68 A 68 GLY middle . false 69 A 69 SER middle . . 70 A 70 ALA middle . . 71 A 71 TYR middle . . 72 A 72 SER middle . . 73 A 73 ARG middle . . 74 A 74 HIS middle . . 75 A 75 ASN middle . . 76 A 76 ALA middle . . 77 A 77 GLU middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 PHE middle . . 81 A 81 LYS middle . . 82 A 82 LYS middle . . 83 A 83 LEU middle . . 84 A 84 ILE middle . . 85 A 85 LEU middle . . 86 A 86 ASP middle . . 87 A 87 LYS middle . . 88 A 88 ILE middle . . 89 A 89 LEU middle . . 90 A 90 ASP middle . . 91 A 91 GLU middle . . 92 A 92 ASP middle . . 93 A 93 LEU middle . . 94 A 94 TYR middle . . 95 A 95 ILE middle . . 96 A 96 ASN middle . . 97 A 97 ALA middle . . 98 A 98 ASN middle . . 99 A 99 ASP middle . . 100 A 100 GLN middle . . 101 A 101 ALA middle . . 102 A 102 ILE middle . . 103 A 103 ALA middle . . 104 A 104 TYR middle . . 105 A 105 VAL middle . . 106 A 106 MET middle . . 107 A 107 LEU middle . . 108 A 108 GLY middle . false 109 A 109 ASN middle . . 110 A 110 LYS middle . . 111 A 111 ALA middle . . 112 A 112 GLN middle . . 113 A 113 THR middle . . 114 A 114 VAL middle . . 115 A 115 LEU middle . . 116 A 116 ASN middle . . 117 A 117 GLY middle . false 118 A 118 ASN middle . . 119 A 119 LEU middle . . 120 A 120 LYS middle . . 121 A 121 VAL middle . . 122 A 122 ASP middle . . 123 A 123 PHE middle . . 124 A 124 MET middle . . 125 A 125 GLU middle . . 126 A 126 THR middle . . 127 A 127 GLU middle . . 128 A 128 ASN middle . . 129 A 129 SER middle . . 130 A 130 SER middle . . 131 A 131 SER middle . . 132 A 132 VAL middle . . 133 A 133 LYS middle . . 134 A 134 LYS middle . . 135 A 135 GLN middle . . 136 A 136 LYS middle . . 137 A 137 ALA middle . . 138 A 138 LEU middle . . 139 A 139 VAL middle . . 140 A 140 ALA middle . . 141 A 141 LYS middle . . 142 A 142 VAL middle . . 143 A 143 SER middle . . 144 A 144 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 THR HA H 1 4.188 0.005 A 3 THR HB H 1 4.119 0.008 A 3 THR HG2% H 1 1.101 0.005 A 3 THR CA C 13 59.278 0.004 A 3 THR CB C 13 67.082 0.010 A 3 THR CG2 C 13 18.964 0.010 A 4 LYS H H 1 8.181 0.014 A 4 LYS HA H 1 4.145 0.01 A 4 LYS HBx H 1 1.557 0.01 A 4 LYS HBy H 1 1.557 0.01 A 4 LYS HEx H 1 2.889 0.001 A 4 LYS HEy H 1 2.889 0.001 A 4 LYS HGx H 1 1.233 0.006 A 4 LYS HGy H 1 1.233 0.006 A 4 LYS CA C 13 53.696 0.010 A 4 LYS CB C 13 30.34 0.011 A 4 LYS CE C 13 39.486 0.036 A 4 LYS CG C 13 22.042 0.010 A 4 LYS N N 15 123.064 0.010 A 5 ASP H H 1 8.093 0.004 A 5 ASP HA H 1 4.476 0.006 A 5 ASP HBy H 1 2.521 0.006 A 5 ASP HBx H 1 2.429 0.015 A 5 ASP CA C 13 51.262 0.037 A 5 ASP CB C 13 38.544 0.039 A 5 ASP N N 15 121.107 0.025 A 6 TYR H H 1 7.836 0.006 A 6 TYR HA H 1 4.556 0.002 A 6 TYR HBy H 1 2.967 0.005 A 6 TYR HBx H 1 2.762 0.003 A 6 TYR HDx H 1 6.965 0.007 A 6 TYR HDy H 1 6.965 0.007 A 6 TYR HEx H 1 6.686 0.009 A 6 TYR HEy H 1 6.686 0.009 A 6 TYR CA C 13 54.822 0.069 A 6 TYR CB C 13 36.233 0.084 A 6 TYR CDx C 13 130.481 0.055 A 6 TYR CEx C 13 115.418 0.010 A 6 TYR N N 15 120.058 0.008 A 7 LYS H H 1 8.296 0.004 A 7 LYS HA H 1 4.383 0.004 A 7 LYS HBx H 1 1.744 0.01 A 7 LYS HBy H 1 1.744 0.01 A 7 LYS HGx H 1 1.278 0.005 A 7 LYS HGy H 1 1.278 0.005 A 7 LYS CA C 13 52.932 0.049 A 7 LYS CB C 13 31.347 0.04 A 7 LYS N N 15 121.593 0.054 A 8 THR H H 1 8.106 0.003 A 8 THR HA H 1 4.473 0.003 A 8 THR HB H 1 3.892 0.004 A 8 THR HG1 H 1 4.697 0.005 A 8 THR HG2% H 1 0.99 0.008 A 8 THR CA C 13 59.312 0.015 A 8 THR CB C 13 67.228 0.049 A 8 THR CG2 C 13 19.289 0.014 A 8 THR N N 15 116.33 0.026 A 9 ARG H H 1 8.798 0.005 A 9 ARG HA H 1 4.609 0.009 A 9 ARG HBx H 1 1.746 0.01 A 9 ARG HBy H 1 1.746 0.01 A 9 ARG HDy H 1 3.099 0.005 A 9 ARG HDx H 1 3.077 0.017 A 9 ARG HGx H 1 1.543 0.015 A 9 ARG HGy H 1 1.543 0.015 A 9 ARG CA C 13 52.067 0.039 A 9 ARG CB C 13 30.913 0.008 A 9 ARG CD C 13 40.755 0.085 A 9 ARG CG C 13 24.321 0.031 A 9 ARG N N 15 123.784 0.023 A 10 ASP H H 1 8.536 0.011 A 10 ASP HA H 1 4.918 0.002 A 10 ASP HBy H 1 2.86 0.016 A 10 ASP HBx H 1 2.577 0.005 A 10 ASP CA C 13 51.673 0.019 A 10 ASP CB C 13 38.463 0.093 A 10 ASP N N 15 122.622 0.02 A 11 VAL H H 1 8.676 0.008 A 11 VAL HA H 1 4.947 0.009 A 11 VAL HB H 1 2.561 0.006 A 11 VAL HGx% H 1 0.955 0.009 A 11 VAL HGy% H 1 0.515 0.003 A 11 VAL CA C 13 57.683 0.01 A 11 VAL CB C 13 28.509 0.026 A 11 VAL CGy C 13 19.408 0.039 A 11 VAL CGx C 13 17.193 0.038 A 11 VAL N N 15 120.614 0.032 A 12 THR H H 1 8.615 0.01 A 12 THR HA H 1 4.154 0.003 A 12 THR HB H 1 3.34 0.006 A 12 THR HG1 H 1 4.151 0.005 A 12 THR HG2% H 1 1.269 0.003 A 12 THR CA C 13 65.751 0.075 A 12 THR CB C 13 66.623 0.035 A 12 THR CG2 C 13 19.978 0.04 A 12 THR N N 15 120.705 0.041 A 13 ASP H H 1 8.742 0.003 A 13 ASP HA H 1 4.268 0.011 A 13 ASP HBx H 1 2.588 0.005 A 13 ASP HBy H 1 2.588 0.005 A 13 ASP CA C 13 55.833 0.026 A 13 ASP CB C 13 37.495 0.038 A 13 ASP N N 15 120.33 0.037 A 14 ASP H H 1 7.91 0.005 A 14 ASP HA H 1 4.324 0.015 A 14 ASP HBy H 1 2.822 0.012 A 14 ASP HBx H 1 2.306 0.003 A 14 ASP CA C 13 55.02 0.03 A 14 ASP CB C 13 37.151 0.039 A 14 ASP N N 15 121.764 0.032 A 15 VAL H H 1 8.407 0.008 A 15 VAL HA H 1 3.205 0.006 A 15 VAL HB H 1 2.146 0.011 A 15 VAL HGx% H 1 0.815 0.01 A 15 VAL CA C 13 64.523 0.075 A 15 VAL CB C 13 28.245 0.010 A 15 VAL CGx C 13 20.879 0.046 A 15 VAL N N 15 119.893 0.016 A 16 LYS H H 1 8.881 0.003 A 16 LYS HA H 1 3.555 0.011 A 16 LYS HBy H 1 1.964 0.01 A 16 LYS HBx H 1 1.719 0.015 A 16 LYS HDx H 1 1.727 0.005 A 16 LYS HDy H 1 1.727 0.005 A 16 LYS HEx H 1 2.944 0.002 A 16 LYS HEy H 1 2.944 0.002 A 16 LYS HGx H 1 1.129 0.007 A 16 LYS HGy H 1 1.129 0.007 A 16 LYS CA C 13 58.702 0.028 A 16 LYS CE C 13 39.12 0.015 A 16 LYS CG C 13 24.727 0.010 A 16 LYS N N 15 120.526 0.036 A 17 SER H H 1 7.632 0.004 A 17 SER HA H 1 4.078 0.023 A 17 SER HBx H 1 3.838 0.006 A 17 SER HBy H 1 3.838 0.006 A 17 SER CA C 13 59.392 0.010 A 17 SER N N 15 113.645 0.048 A 18 ILE H H 1 8.072 0.004 A 18 ILE HA H 1 3.46 0.003 A 18 ILE HB H 1 1.682 0.01 A 18 ILE HD1% H 1 -0.403 0.004 A 18 ILE HG1x H 1 0.264 0.01 A 18 ILE HG1y H 1 1.551 0.016 A 18 ILE HG2% H 1 0.569 0.007 A 18 ILE CA C 13 63.706 0.04 A 18 ILE CB C 13 35.939 0.037 A 18 ILE CD1 C 13 10.577 0.026 A 18 ILE CG1 C 13 26.66 0.087 A 18 ILE CG2 C 13 15.079 0.035 A 18 ILE N N 15 124.622 0.027 A 19 VAL H H 1 8.719 0.008 A 19 VAL HA H 1 3.288 0.012 A 19 VAL HB H 1 2.076 0.009 A 19 VAL HGx% H 1 1.093 0.007 A 19 VAL HGy% H 1 0.828 0.007 A 19 VAL CA C 13 64.529 0.068 A 19 VAL CB C 13 28.766 0.022 A 19 VAL CGx C 13 21.001 0.021 A 19 VAL N N 15 119.516 0.048 A 20 ARG H H 1 8.388 0.003 A 20 ARG HA H 1 3.942 0.007 A 20 ARG HBx H 1 1.855 0.008 A 20 ARG HBy H 1 1.855 0.008 A 20 ARG HDx H 1 3.163 0.003 A 20 ARG HDy H 1 3.163 0.003 A 20 ARG HGx H 1 1.598 0.005 A 20 ARG HGy H 1 1.598 0.005 A 20 ARG CA C 13 57.168 0.051 A 20 ARG CB C 13 27.462 0.010 A 20 ARG CD C 13 40.656 0.010 A 20 ARG N N 15 118.001 0.036 A 21 PHE H H 1 7.92 0.007 A 21 PHE HA H 1 4.429 0.012 A 21 PHE HBx H 1 3.304 0.01 A 21 PHE HBy H 1 3.304 0.01 A 21 PHE HDx H 1 7.179 0.009 A 21 PHE HDy H 1 7.179 0.009 A 21 PHE HEx H 1 6.875 0.01 A 21 PHE HEy H 1 6.875 0.01 A 21 PHE CA C 13 59.07 0.086 A 21 PHE CB C 13 37.446 0.022 A 21 PHE CDx C 13 128.433 0.010 A 21 PHE CEx C 13 128.69 0.010 A 21 PHE N N 15 120.439 0.048 A 22 VAL H H 1 8.554 0.004 A 22 VAL HA H 1 3.461 0.005 A 22 VAL HB H 1 2.079 0.005 A 22 VAL HGx% H 1 1.092 0.005 A 22 VAL HGy% H 1 0.835 0.013 A 22 VAL CA C 13 64.288 0.212 A 22 VAL CB C 13 28.827 0.010 A 22 VAL CGx C 13 21.018 0.009 A 22 VAL N N 15 119.817 0.023 A 23 GLN H H 1 8.702 0.01 A 23 GLN HA H 1 3.827 0.008 A 23 GLN HBx H 1 2.114 0.017 A 23 GLN HBy H 1 2.294 0.017 A 23 GLN HE2y H 1 7.332 0.001 A 23 GLN HE2x H 1 6.518 0.013 A 23 GLN HGy H 1 2.263 0.022 A 23 GLN HGx H 1 2.192 0.009 A 23 GLN CA C 13 57.046 0.012 A 23 GLN CB C 13 26.984 0.035 A 23 GLN CG C 13 31.349 0.068 A 23 GLN N N 15 120.945 0.107 A 23 GLN NE2 N 15 109.892 0.026 A 24 GLU H H 1 8.162 0.01 A 24 GLU HA H 1 3.864 0.004 A 24 GLU HBy H 1 1.945 0.005 A 24 GLU HBx H 1 1.712 0.013 A 24 GLU HGy H 1 2.079 0.005 A 24 GLU HGx H 1 1.748 0.004 A 24 GLU CA C 13 55.983 0.145 A 24 GLU CB C 13 27.003 0.031 A 24 GLU CG C 13 33.16 0.021 A 24 GLU N N 15 118.621 0.017 A 25 HIS H H 1 7.456 0.008 A 25 HIS HA H 1 4.348 0.007 A 25 HIS HBx H 1 2.418 0.009 A 25 HIS HBy H 1 3.124 0.015 A 25 HIS HD2 H 1 6.897 0.001 A 25 HIS CA C 13 55.023 0.029 A 25 HIS CB C 13 28.052 0.079 A 25 HIS N N 15 115.638 0.045 A 26 SER H H 1 7.622 0.003 A 26 SER HA H 1 4.597 0.002 A 26 SER HBx H 1 3.979 0.015 A 26 SER HBy H 1 3.979 0.015 A 26 SER CA C 13 56.129 0.027 A 26 SER CB C 13 61.587 0.010 A 26 SER N N 15 113.585 0.012 A 27 SER H H 1 8.054 0.009 A 27 SER HA H 1 4.43 0.001 A 27 SER HBx H 1 3.804 0.003 A 27 SER HBy H 1 3.804 0.003 A 27 SER CA C 13 55.898 0.010 A 27 SER N N 15 116.649 0.022 A 29 GLN H H 1 7.703 0.005 A 29 GLN HA H 1 4.192 0.012 A 29 GLN HBx H 1 1.914 0.02 A 29 GLN HBy H 1 2.034 0.002 A 29 GLN HE2y H 1 7.398 0.005 A 29 GLN HE2x H 1 6.726 0.002 A 29 GLN HGx H 1 2.249 0.003 A 29 GLN HGy H 1 2.249 0.003 A 29 GLN CA C 13 53.302 0.05 A 29 GLN CB C 13 26.483 0.03 A 29 GLN CG C 13 31.196 0.038 A 29 GLN NE2 N 15 112.268 0.049 A 30 GLY H H 1 8.265 0.005 A 30 GLY HAx H 1 3.827 0.015 A 30 GLY HAy H 1 3.827 0.015 A 30 GLY N N 15 108.999 0.010 A 31 MET H H 1 8.047 0.004 A 31 MET HGx H 1 1.912 0.005 A 31 MET HGy H 1 1.912 0.005 A 31 MET N N 15 119.703 0.025 A 33 ASN HA H 1 4.399 0.003 A 33 ASN HBy H 1 2.618 0.004 A 33 ASN HBx H 1 2.48 0.002 A 33 ASN CA C 13 50.346 0.023 A 33 ASN CB C 13 36.008 0.022 A 34 ILE H H 1 7.837 0.008 A 34 ILE HA H 1 4.072 0.005 A 34 ILE HB H 1 1.77 0.014 A 34 ILE HD1% H 1 0.772 0.011 A 34 ILE HG1y H 1 1.367 0.002 A 34 ILE HG1x H 1 1.064 0.001 A 34 ILE HG2% H 1 0.768 0.012 A 34 ILE CA C 13 58.766 0.053 A 34 ILE CB C 13 36.023 0.083 A 34 ILE CD1 C 13 9.992 0.010 A 34 ILE CG1 C 13 24.599 0.178 A 34 ILE CG2 C 13 14.965 0.004 A 34 ILE N N 15 120.096 0.064 A 35 LYS H H 1 8.207 0.006 A 35 LYS HA H 1 4.133 0.004 A 35 LYS HBx H 1 1.623 0.002 A 35 LYS HBy H 1 1.623 0.002 A 35 LYS HEx H 1 2.934 0.005 A 35 LYS HEy H 1 2.934 0.005 A 35 LYS HGx H 1 1.285 0.008 A 35 LYS HGy H 1 1.285 0.008 A 35 LYS CB C 13 29.809 0.010 A 35 LYS N N 15 123.138 0.073 A 36 HIS H H 1 8.011 0.003 A 36 HIS HA H 1 4.527 0.011 A 36 HIS HBx H 1 2.995 0.012 A 36 HIS HBy H 1 2.995 0.012 A 36 HIS HD2 H 1 6.864 0.005 A 36 HIS CA C 13 53.765 0.01 A 36 HIS CB C 13 28.204 0.013 A 36 HIS N N 15 119.858 0.022 A 37 VAL H H 1 7.889 0.008 A 37 VAL HA H 1 4.066 0.01 A 37 VAL HB H 1 1.945 0.003 A 37 VAL HGx% H 1 0.783 0.008 A 37 VAL HGy% H 1 0.783 0.008 A 37 VAL CA C 13 59.303 0.128 A 37 VAL CB C 13 30.219 0.010 A 37 VAL CGx C 13 17.797 0.088 A 37 VAL N N 15 120.812 0.03 A 38 GLY H H 1 8.062 0.009 A 38 GLY HAx H 1 3.815 0.002 A 38 GLY HAy H 1 3.971 0.001 A 38 GLY CA C 13 41.696 0.021 A 38 GLY N N 15 112.001 0.012 A 39 PRO HDy H 1 3.352 0.004 A 39 PRO HDx H 1 3.159 0.003 A 41 GLY HAx H 1 3.713 0.005 A 41 GLY HAy H 1 3.713 0.005 A 42 ARG H H 1 7.191 0.008 A 42 ARG HA H 1 4.106 0.005 A 42 ARG HBy H 1 1.108 0.005 A 42 ARG HBx H 1 0.913 0.005 A 42 ARG HDx H 1 2.507 0.008 A 42 ARG HDy H 1 2.507 0.008 A 42 ARG HGx H 1 1.008 0.005 A 42 ARG HGy H 1 1.036 0.008 A 42 ARG CA C 13 52.102 0.015 A 42 ARG CB C 13 29.197 0.013 A 42 ARG CD C 13 40.304 0.057 A 42 ARG CG C 13 23.821 0.074 A 42 ARG N N 15 117.216 0.029 A 43 PHE H H 1 9.169 0.007 A 43 PHE HA H 1 5.231 0.004 A 43 PHE HBy H 1 3.133 0.005 A 43 PHE HBx H 1 2.835 0.018 A 43 PHE HDx H 1 7.175 0.007 A 43 PHE HDy H 1 7.175 0.007 A 43 PHE HEx H 1 6.886 0.001 A 43 PHE HEy H 1 6.886 0.001 A 43 PHE HZ H 1 6.668 0.011 A 43 PHE CA C 13 53.803 0.014 A 43 PHE CB C 13 39.107 0.015 A 43 PHE CDx C 13 129.423 0.026 A 43 PHE CEx C 13 128.727 0.048 A 43 PHE CZ C 13 127.83 0.010 A 43 PHE N N 15 118.418 0.03 A 44 THR H H 1 7.878 0.011 A 44 THR HA H 1 4.809 0.005 A 44 THR HB H 1 4.674 0.011 A 44 THR HG2% H 1 1.144 0.005 A 44 THR CA C 13 57.627 0.006 A 44 THR CB C 13 68.575 0.035 A 44 THR CG2 C 13 19.344 0.027 A 44 THR N N 15 112.798 0.029 A 45 MET H H 1 9.731 0.002 A 45 MET HA H 1 3.538 0.014 A 45 MET HBx H 1 2.118 0.009 A 45 MET HBy H 1 2.118 0.009 A 45 MET HGx H 1 1.978 0.005 A 45 MET HGy H 1 1.978 0.005 A 45 MET CA C 13 57.641 0.04 A 45 MET CB C 13 29.616 0.015 A 45 MET CG C 13 29.808 0.010 A 45 MET N N 15 122.019 0.033 A 46 ASN H H 1 8.505 0.004 A 46 ASN HA H 1 4.099 0.005 A 46 ASN HBy H 1 2.72 0.016 A 46 ASN HBx H 1 2.573 0.005 A 46 ASN HD2x H 1 6.893 0.002 A 46 ASN HD2y H 1 7.531 0.005 A 46 ASN CA C 13 53.851 0.039 A 46 ASN CB C 13 35.221 0.028 A 46 ASN N N 15 115.665 0.113 A 46 ASN ND2 N 15 112.705 0.015 A 47 MET H H 1 7.561 0.009 A 47 MET HA H 1 4.096 0.006 A 47 MET HBx H 1 2.299 0.017 A 47 MET HBy H 1 2.299 0.017 A 47 MET HE% H 1 1.927 0.005 A 47 MET CA C 13 56.296 0.042 A 47 MET CB C 13 31.471 0.027 A 47 MET N N 15 117.282 0.035 A 48 LEU H H 1 7.706 0.009 A 48 LEU HA H 1 3.631 0.015 A 48 LEU HBy H 1 1.384 0.006 A 48 LEU HBx H 1 0.863 0.005 A 48 LEU HDx% H 1 0.54 0.006 A 48 LEU HDy% H 1 0.702 0.013 A 48 LEU HG H 1 1.535 0.015 A 48 LEU CA C 13 55.091 0.051 A 48 LEU CB C 13 38.968 0.049 A 48 LEU CDx C 13 21.323 0.12 A 48 LEU CDy C 13 21.702 0.010 A 48 LEU CG C 13 24.303 0.010 A 48 LEU N N 15 119.499 0.035 A 49 VAL H H 1 7.946 0.008 A 49 VAL HA H 1 3.007 0.008 A 49 VAL HB H 1 1.984 0.009 A 49 VAL HGx% H 1 0.529 0.011 A 49 VAL HGy% H 1 0.81 0.005 A 49 VAL CA C 13 64.838 0.063 A 49 VAL CB C 13 28.684 0.010 A 49 VAL CGx C 13 21.083 0.095 A 49 VAL N N 15 120.544 0.017 A 50 ASP H H 1 7.65 0.012 A 50 ASP HA H 1 4.244 0.01 A 50 ASP HBy H 1 2.776 0.014 A 50 ASP HBx H 1 2.24 0.01 A 50 ASP CA C 13 55.406 0.126 A 50 ASP CB C 13 37.66 0.091 A 50 ASP N N 15 118.085 0.013 A 51 ILE H H 1 7.711 0.007 A 51 ILE HA H 1 3.769 0.008 A 51 ILE HB H 1 1.631 0.01 A 51 ILE HD1% H 1 0.582 0.005 A 51 ILE HG1y H 1 1.961 0.01 A 51 ILE HG1x H 1 1.367 0.013 A 51 ILE HG2% H 1 0.685 0.009 A 51 ILE CA C 13 62.852 0.107 A 51 ILE CB C 13 36.755 0.053 A 51 ILE CD1 C 13 12.121 0.032 A 51 ILE CG1 C 13 27.111 0.09 A 51 ILE CG2 C 13 15.422 0.078 A 51 ILE N N 15 118.285 0.011 A 52 PHE H H 1 8.749 0.002 A 52 PHE HA H 1 4.286 0.008 A 52 PHE HBx H 1 3.023 0.011 A 52 PHE HBy H 1 3.023 0.011 A 52 PHE HDx H 1 6.851 0.006 A 52 PHE HDy H 1 6.851 0.006 A 52 PHE HEx H 1 6.419 0.007 A 52 PHE HEy H 1 6.419 0.007 A 52 PHE CA C 13 57.31 0.044 A 52 PHE CB C 13 37.915 0.010 A 52 PHE CDx C 13 127.866 0.048 A 52 PHE CEx C 13 128.537 0.010 A 52 PHE N N 15 122.834 0.029 A 53 LEU H H 1 8.439 0.007 A 53 LEU HA H 1 3.46 0.012 A 53 LEU HBy H 1 1.632 0.021 A 53 LEU HBx H 1 1.333 0.01 A 53 LEU HDx% H 1 0.693 0.01 A 53 LEU HDy% H 1 0.667 0.008 A 53 LEU CA C 13 53.42 0.043 A 53 LEU CB C 13 39.786 0.015 A 53 LEU CDy C 13 23.647 0.078 A 53 LEU CDx C 13 20.648 0.04 A 53 LEU N N 15 114.896 0.026 A 54 GLY H H 1 7.553 0.005 A 54 GLY HAy H 1 3.191 0.004 A 54 GLY HAx H 1 2.365 0.008 A 54 GLY CA C 13 41.696 0.139 A 54 GLY N N 15 106.010 0.024 A 55 SER H H 1 7.966 0.003 A 55 SER HA H 1 4.22 0.003 A 55 SER HBx H 1 3.69 0.012 A 55 SER HBy H 1 3.743 0.013 A 55 SER CA C 13 55.639 0.012 A 55 SER CB C 13 60.996 0.015 A 55 SER N N 15 114.675 0.024 A 58 ALA H H 1 7.672 0.007 A 58 ALA HA H 1 4.214 0.003 A 58 ALA HB% H 1 1.562 0.006 A 58 ALA CA C 13 49.962 0.04 A 58 ALA CB C 13 17.815 0.06 A 58 ALA N N 15 124.906 0.046 A 59 LYS H H 1 8.877 0.005 A 59 LYS HA H 1 3.999 0.005 A 59 LYS HBy H 1 1.913 0.007 A 59 LYS HBx H 1 1.76 0.001 A 59 LYS HDx H 1 1.724 0.005 A 59 LYS HDy H 1 1.724 0.005 A 59 LYS CA C 13 54.56 0.044 A 59 LYS CB C 13 30.396 0.026 A 59 LYS N N 15 120.289 0.051 A 60 ILE H H 1 6.793 0.005 A 60 ILE HA H 1 4.144 0.005 A 60 ILE HB H 1 1.743 0.01 A 60 ILE HD1% H 1 0.784 0.005 A 60 ILE HG1y H 1 1.366 0.008 A 60 ILE HG1x H 1 1.145 0.006 A 60 ILE HG2% H 1 0.949 0.002 A 60 ILE CA C 13 56.751 0.032 A 60 ILE CB C 13 38.023 0.055 A 60 ILE CD1 C 13 9.994 0.027 A 60 ILE CG1 C 13 24.787 0.049 A 60 ILE CG2 C 13 15.053 0.023 A 60 ILE N N 15 116.012 0.029 A 61 GLN H H 1 8.204 0.007 A 61 GLN HA H 1 3.892 0.002 A 61 GLN HBy H 1 1.631 0.01 A 61 GLN HBx H 1 1.136 0.006 A 61 GLN HE2y H 1 7.018 0.003 A 61 GLN HE2x H 1 6.341 0.003 A 61 GLN HGx H 1 1.285 0.01 A 61 GLN HGy H 1 1.285 0.01 A 61 GLN CA C 13 51.532 0.029 A 61 GLN CB C 13 24.461 0.010 A 61 GLN CG C 13 30.422 0.027 A 61 GLN NE2 N 15 110.019 0.023 A 62 SER H H 1 7.008 0.013 A 62 SER HA H 1 4.054 0.026 A 62 SER HBx H 1 3.727 0.009 A 62 SER HBy H 1 3.727 0.009 A 62 SER CB C 13 62.621 0.072 A 62 SER N N 15 113.482 0.027 A 63 GLY HAy H 1 4.108 0.005 A 63 GLY HAx H 1 3.895 0.011 A 63 GLY CA C 13 45.737 0.042 A 64 ILE H H 1 6.176 0.011 A 64 ILE HA H 1 4.116 0.007 A 64 ILE HB H 1 2.042 0.002 A 64 ILE HD1% H 1 0.437 0.004 A 64 ILE HG1y H 1 0.659 0.004 A 64 ILE HG1x H 1 -0.431 0.011 A 64 ILE HG2% H 1 0.628 0.01 A 64 ILE CA C 13 59.148 0.04 A 64 ILE CB C 13 35.319 0.031 A 64 ILE CD1 C 13 12.206 0.017 A 64 ILE CG1 C 13 22.206 0.019 A 64 ILE CG2 C 13 15.416 0.05 A 64 ILE N N 15 118.021 0.041 A 65 PHE H H 1 7.123 0.012 A 65 PHE HA H 1 4.571 0.007 A 65 PHE HBy H 1 2.946 0.012 A 65 PHE HBx H 1 2.409 0.012 A 65 PHE HDx H 1 7.156 0.01 A 65 PHE HDy H 1 7.156 0.01 A 65 PHE HEx H 1 6.887 0.006 A 65 PHE HEy H 1 6.887 0.006 A 65 PHE HZ H 1 6.686 0.015 A 65 PHE CA C 13 55.494 0.069 A 65 PHE CB C 13 36.251 0.067 A 65 PHE CDx C 13 130.061 0.02 A 65 PHE CZ C 13 126.579 0.041 A 65 PHE N N 15 122.624 0.014 A 66 GLY H H 1 7.765 0.007 A 66 GLY HAy H 1 3.637 0.008 A 66 GLY HAx H 1 2.608 0.008 A 66 GLY CA C 13 42.78 0.044 A 66 GLY N N 15 115.125 0.014 A 67 LYS H H 1 8.317 0.003 A 67 LYS HA H 1 3.935 0.006 A 67 LYS HBx H 1 1.74 0.013 A 67 LYS HBy H 1 1.74 0.013 A 67 LYS HDx H 1 1.29 0.011 A 67 LYS HGx H 1 1.296 0.005 A 67 LYS HGy H 1 1.43 0.007 A 67 LYS CA C 13 55.012 0.033 A 67 LYS CB C 13 28.753 0.010 A 67 LYS CG C 13 22.712 0.05 A 67 LYS N N 15 122.536 0.063 A 68 GLY H H 1 8.099 0.002 A 68 GLY HAy H 1 3.614 0.008 A 68 GLY HAx H 1 1.136 0.012 A 68 GLY CA C 13 41.935 0.171 A 68 GLY N N 15 109.642 0.029 A 69 SER H H 1 6.768 0.007 A 69 SER HA H 1 3.909 0.013 A 69 SER HBy H 1 3.83 0.007 A 69 SER HBx H 1 3.627 0.005 A 69 SER CA C 13 58.325 0.048 A 69 SER CB C 13 60.337 0.082 A 69 SER N N 15 113.169 0.01 A 70 ALA H H 1 8.312 0.002 A 70 ALA HA H 1 4.238 0.002 A 70 ALA HB% H 1 1.169 0.01 A 70 ALA CA C 13 49.817 0.024 A 70 ALA CB C 13 16.03 0.004 A 70 ALA N N 15 121.957 0.058 A 71 TYR H H 1 8.115 0.005 A 71 TYR HA H 1 4.526 0.013 A 71 TYR HBy H 1 3.184 0.006 A 71 TYR HBx H 1 2.924 0.007 A 71 TYR HDx H 1 6.858 0.005 A 71 TYR HDy H 1 6.858 0.005 A 71 TYR HEx H 1 6.641 0.006 A 71 TYR HEy H 1 6.641 0.006 A 71 TYR CA C 13 55.299 0.128 A 71 TYR CB C 13 35.907 0.06 A 71 TYR CDx C 13 129.684 0.111 A 71 TYR CEx C 13 115.4 0.007 A 71 TYR N N 15 120.043 0.028 A 72 SER H H 1 8.588 0.003 A 72 SER HA H 1 4.356 0.011 A 72 SER HBy H 1 4.343 0.001 A 72 SER HBx H 1 4.101 0.006 A 72 SER CB C 13 62.211 0.028 A 72 SER N N 15 114.462 0.034 A 73 ARG HBx H 1 1.826 0.005 A 73 ARG HBy H 1 1.826 0.005 A 74 HIS H H 1 8.513 0.005 A 74 HIS HA H 1 4.343 0.006 A 74 HIS HBy H 1 3.161 0.003 A 74 HIS HBx H 1 2.914 0.007 A 74 HIS HD2 H 1 6.787 0.001 A 74 HIS CA C 13 56.866 0.172 A 74 HIS CB C 13 28.026 0.047 A 74 HIS N N 15 116.026 0.049 A 75 ASN H H 1 7.869 0.008 A 75 ASN HA H 1 4.78 0.005 A 75 ASN HBx H 1 2.77 0.005 A 75 ASN HBy H 1 3.21 0.004 A 75 ASN CA C 13 53.735 0.010 A 75 ASN CB C 13 35.83 0.059 A 75 ASN N N 15 116.559 0.021 A 76 ALA H H 1 9.091 0.004 A 76 ALA HA H 1 3.909 0.011 A 76 ALA HB% H 1 1.545 0.01 A 76 ALA CA C 13 53.014 0.041 A 76 ALA CB C 13 16.311 0.034 A 76 ALA N N 15 124.303 0.035 A 77 GLU H H 1 8.707 0.003 A 77 GLU HA H 1 3.797 0.008 A 77 GLU HBx H 1 1.901 0.009 A 77 GLU HBy H 1 2.232 0.01 A 77 GLU HGx H 1 2.502 0.004 A 77 GLU HGy H 1 2.502 0.004 A 77 GLU CA C 13 57.574 0.019 A 77 GLU CB C 13 26.934 0.126 A 77 GLU CG C 13 35.015 0.078 A 77 GLU N N 15 117.259 0.011 A 78 ARG H H 1 7.851 0.005 A 78 ARG HA H 1 3.804 0.004 A 78 ARG HBx H 1 2.102 0.005 A 78 ARG HBy H 1 2.102 0.005 A 78 ARG HGx H 1 1.733 0.005 A 78 ARG HGy H 1 1.733 0.005 A 78 ARG CA C 13 57.589 0.010 A 78 ARG N N 15 117.556 0.018 A 79 LEU H H 1 8.262 0.004 A 79 LEU HA H 1 3.454 0.006 A 79 LEU HBx H 1 0.472 0.015 A 79 LEU HBy H 1 1.536 0.005 A 79 LEU HDx% H 1 0.003 0.003 A 79 LEU HDy% H 1 -0.011 0.008 A 79 LEU HG H 1 0.469 0.038 A 79 LEU CA C 13 55.672 0.032 A 79 LEU CB C 13 37.311 0.089 A 79 LEU CDy C 13 22.193 0.018 A 79 LEU CDx C 13 19.29 0.032 A 79 LEU CG C 13 24.084 0.073 A 79 LEU N N 15 122.886 0.014 A 80 PHE H H 1 7.848 0.006 A 80 PHE HA H 1 3.497 0.009 A 80 PHE HBy H 1 2.803 0.065 A 80 PHE HBx H 1 2.761 0.071 A 80 PHE HDx H 1 7.034 0.014 A 80 PHE HDy H 1 7.034 0.014 A 80 PHE HEx H 1 6.437 0.006 A 80 PHE HEy H 1 6.437 0.006 A 80 PHE HZ H 1 6.13 0.005 A 80 PHE CA C 13 61.416 0.034 A 80 PHE CB C 13 36.279 0.053 A 80 PHE CDy C 13 128.568 0.096 A 80 PHE CDx C 13 127.895 0.047 A 80 PHE CEx C 13 127.943 0.109 A 80 PHE CEy C 13 128.087 0.068 A 80 PHE CZ C 13 125.297 0.046 A 80 PHE N N 15 116.592 0.017 A 81 LYS H H 1 8.4 0.003 A 81 LYS HA H 1 3.839 0.008 A 81 LYS HBx H 1 1.792 0.007 A 81 LYS HBy H 1 1.792 0.007 A 81 LYS HDx H 1 1.917 0.005 A 81 LYS HDy H 1 1.917 0.005 A 81 LYS HEx H 1 2.836 0.008 A 81 LYS HEy H 1 2.836 0.008 A 81 LYS HGx H 1 1.349 0.005 A 81 LYS HGy H 1 1.565 0.003 A 81 LYS CA C 13 57.224 0.098 A 81 LYS CB C 13 29.542 0.118 A 81 LYS CD C 13 27.378 0.010 A 81 LYS CG C 13 23.274 0.075 A 81 LYS N N 15 117.535 0.04 A 82 LYS H H 1 8.009 0.006 A 82 LYS HA H 1 4.009 0.009 A 82 LYS HBx H 1 1.93 0.008 A 82 LYS HBy H 1 1.93 0.008 A 82 LYS HDx H 1 1.47 0.012 A 82 LYS HDy H 1 1.47 0.012 A 82 LYS HEx H 1 2.831 0.002 A 82 LYS HEy H 1 3.342 0.001 A 82 LYS HGx H 1 1.198 0.008 A 82 LYS HGy H 1 1.498 0.01 A 82 LYS CA C 13 56.608 0.016 A 82 LYS CB C 13 29.409 0.010 A 82 LYS CD C 13 27.494 0.032 A 82 LYS CE C 13 40.065 0.247 A 82 LYS CG C 13 22.669 0.075 A 82 LYS N N 15 121.994 0.031 A 83 LEU H H 1 7.989 0.008 A 83 LEU HA H 1 3.806 0.009 A 83 LEU HBy H 1 1.936 0.007 A 83 LEU HBx H 1 0.934 0.016 A 83 LEU HDx% H 1 0.212 0.008 A 83 LEU HDy% H 1 0.537 0.013 A 83 LEU HG H 1 1.94 0.001 A 83 LEU CA C 13 55.432 0.113 A 83 LEU CB C 13 37.497 0.064 A 83 LEU CDy C 13 22.172 0.023 A 83 LEU CDx C 13 20.161 0.057 A 83 LEU CG C 13 22.9 0.024 A 83 LEU N N 15 116.189 0.031 A 84 ILE H H 1 7.59 0.005 A 84 ILE HA H 1 4.114 0.008 A 84 ILE HB H 1 1.831 0.014 A 84 ILE HD1% H 1 0.685 0.003 A 84 ILE HG1y H 1 1.716 0.008 A 84 ILE HG1x H 1 0.679 0.005 A 84 ILE HG2% H 1 0.847 0.007 A 84 ILE CA C 13 60.415 0.118 A 84 ILE CB C 13 35.704 0.053 A 84 ILE CD1 C 13 10.778 0.072 A 84 ILE CG1 C 13 27.551 0.03 A 84 ILE CG2 C 13 14.909 0.048 A 84 ILE N N 15 120.559 0.012 A 85 LEU H H 1 8.326 0.007 A 85 LEU HA H 1 4.025 0.002 A 85 LEU HBx H 1 1.695 0.006 A 85 LEU HBy H 1 1.772 0.025 A 85 LEU HDy% H 1 0.859 0.006 A 85 LEU HG H 1 1.698 0.014 A 85 LEU CA C 13 55.625 0.037 A 85 LEU CB C 13 38.949 0.02 A 85 LEU CDy C 13 21.658 0.04 A 85 LEU CG C 13 24.307 0.071 A 85 LEU N N 15 125.18 0.015 A 86 ASP H H 1 8.588 0.007 A 86 ASP HA H 1 4.446 0.007 A 86 ASP HBx H 1 2.616 0.024 A 86 ASP HBy H 1 2.616 0.024 A 86 ASP CA C 13 52.219 0.007 A 86 ASP CB C 13 38.012 0.03 A 86 ASP N N 15 117.054 0.024 A 87 LYS H H 1 7.758 0.004 A 87 LYS HA H 1 4.275 0.006 A 87 LYS HBx H 1 2.143 0.006 A 87 LYS HBy H 1 2.143 0.006 A 87 LYS HGy H 1 1.408 0.01 A 87 LYS HGx H 1 1.35 0.011 A 87 LYS CA C 13 54.603 0.014 A 87 LYS CB C 13 25.293 0.451 A 87 LYS CG C 13 22.149 0.033 A 87 LYS N N 15 111.77 0.03 A 88 ILE H H 1 8.051 0.008 A 88 ILE HA H 1 3.341 0.006 A 88 ILE HB H 1 1.581 0.01 A 88 ILE HD1% H 1 0.748 0.005 A 88 ILE HG1y H 1 1.549 0.003 A 88 ILE HG1x H 1 0.588 0.011 A 88 ILE HG2% H 1 0.602 0.005 A 88 ILE CA C 13 62.673 0.015 A 88 ILE CB C 13 36.038 0.108 A 88 ILE CD1 C 13 12.241 0.027 A 88 ILE CG1 C 13 27.372 0.097 A 88 ILE CG2 C 13 15.519 0.007 A 88 ILE N N 15 119.672 0.036 A 89 LEU H H 1 7.06 0.006 A 89 LEU HA H 1 4.824 0.014 A 89 LEU HBx H 1 1.177 0.009 A 89 LEU HBy H 1 1.529 0.016 A 89 LEU HDx% H 1 0.831 0.011 A 89 LEU HDy% H 1 0.831 0.011 A 89 LEU HG H 1 0.763 0.012 A 89 LEU CA C 13 49.475 0.010 A 89 LEU CB C 13 42.402 0.042 A 89 LEU CG C 13 23.134 0.081 A 89 LEU N N 15 116.102 0.034 A 90 ASP H H 1 8.495 0.006 A 90 ASP HA H 1 4.824 0.007 A 90 ASP HBx H 1 2.259 0.009 A 90 ASP HBy H 1 2.259 0.009 A 90 ASP CA C 13 49.5 0.054 A 90 ASP CB C 13 41.977 0.035 A 90 ASP N N 15 117.058 0.013 A 91 GLU H H 1 8.958 0.004 A 91 GLU HA H 1 5.143 0.004 A 91 GLU HBy H 1 1.755 0.01 A 91 GLU HBx H 1 1.659 0.008 A 91 GLU HGy H 1 2.034 0.011 A 91 GLU HGx H 1 1.856 0.003 A 91 GLU CA C 13 52.175 0.016 A 91 GLU CB C 13 31.467 0.05 A 91 GLU CG C 13 35.258 0.008 A 91 GLU N N 15 118.774 0.005 A 92 ASP H H 1 8.951 0.005 A 92 ASP HA H 1 4.757 0.009 A 92 ASP HBx H 1 2.547 0.004 A 92 ASP HBy H 1 2.547 0.004 A 92 ASP CA C 13 49.785 0.012 A 92 ASP CB C 13 41.199 0.085 A 92 ASP N N 15 123.93 0.04 A 93 LEU H H 1 8.313 0.004 A 93 LEU HA H 1 4.715 0.005 A 93 LEU HBx H 1 1.342 0.013 A 93 LEU HBy H 1 1.507 0.009 A 93 LEU HDx% H 1 0.689 0.004 A 93 LEU HDy% H 1 0.689 0.004 A 93 LEU HG H 1 1.401 0.005 A 93 LEU CA C 13 52.221 0.063 A 93 LEU CB C 13 40.583 0.081 A 93 LEU CG C 13 24.517 0.082 A 93 LEU N N 15 124.663 0.069 A 94 TYR H H 1 9.099 0.003 A 94 TYR HBx H 1 2.95 0.014 A 94 TYR HBy H 1 2.95 0.014 A 94 TYR HDx H 1 7.034 0.005 A 94 TYR HDy H 1 7.034 0.005 A 94 TYR HEx H 1 6.677 0.001 A 94 TYR HEy H 1 6.677 0.001 A 94 TYR CDx C 13 130.605 0.082 A 94 TYR N N 15 126.919 0.04 A 95 ILE H H 1 7.987 0.011 A 95 ILE HA H 1 4.333 0.005 A 95 ILE HB H 1 1.599 0.011 A 95 ILE HD1% H 1 0.637 0.001 A 95 ILE HG1y H 1 1.282 0.006 A 95 ILE HG1x H 1 0.964 0.009 A 95 ILE HG2% H 1 0.733 0.011 A 95 ILE CA C 13 56.985 0.119 A 95 ILE CB C 13 35.02 0.057 A 95 ILE CD1 C 13 9.127 0.084 A 95 ILE CG1 C 13 24.593 0.118 A 95 ILE CG2 C 13 14.927 0.053 A 95 ILE N N 15 126.283 0.019 A 96 ASN H H 1 8.216 0.01 A 96 ASN HA H 1 4.542 0.003 A 96 ASN HBy H 1 3.333 0.008 A 96 ASN HBx H 1 2.808 0.007 A 96 ASN HD2y H 1 7.558 0.015 A 96 ASN HD2x H 1 7.208 0.001 A 96 ASN CA C 13 48.897 0.02 A 96 ASN CB C 13 36.74 0.037 A 96 ASN N N 15 125.247 0.038 A 96 ASN ND2 N 15 112.251 0.051 A 97 ALA H H 1 8.19 0.011 A 97 ALA HA H 1 4.073 0.005 A 97 ALA HB% H 1 1.336 0.007 A 97 ALA CA C 13 51.269 0.091 A 97 ALA CB C 13 15.669 0.099 A 98 ASN H H 1 7.807 0.005 A 98 ASN HA H 1 4.728 0.008 A 98 ASN HBx H 1 2.506 0.008 A 98 ASN HBy H 1 2.917 0.011 A 98 ASN HD2y H 1 7.41 0.001 A 98 ASN HD2x H 1 6.821 0.001 A 98 ASN CA C 13 50.111 0.075 A 98 ASN CB C 13 35.889 0.036 A 98 ASN N N 15 115.491 0.012 A 98 ASN ND2 N 15 112.213 0.053 A 99 ASP H H 1 8.151 0.004 A 99 ASP HA H 1 4.193 0.014 A 99 ASP HBx H 1 2.642 0.005 A 99 ASP HBy H 1 2.832 0.003 A 99 ASP CA C 13 52.98 0.101 A 99 ASP CB C 13 36.987 0.048 A 99 ASP N N 15 115.8 0.015 A 100 GLN H H 1 7.695 0.008 A 100 GLN HA H 1 4.294 0.007 A 100 GLN HBx H 1 1.85 0.013 A 100 GLN HBy H 1 1.85 0.013 A 100 GLN HE2y H 1 7.471 0.006 A 100 GLN HE2x H 1 6.812 0.014 A 100 GLN HGx H 1 2.193 0.005 A 100 GLN HGy H 1 2.193 0.005 A 100 GLN CA C 13 52.028 0.029 A 100 GLN CB C 13 27.014 0.014 A 100 GLN CG C 13 30.888 0.016 A 100 GLN N N 15 117.709 0.014 A 100 GLN NE2 N 15 112.826 0.121 A 101 ALA H H 1 8.427 0.003 A 101 ALA HA H 1 4.709 0.007 A 101 ALA HB% H 1 1.149 0.002 A 101 ALA CA C 13 48.73 0.105 A 101 ALA CB C 13 17.061 0.018 A 101 ALA N N 15 126.865 0.039 A 102 ILE H H 1 8.886 0.006 A 102 ILE HA H 1 4.054 0.006 A 102 ILE HB H 1 1.587 0.004 A 102 ILE HD1% H 1 0.708 0.008 A 102 ILE HG1y H 1 1.291 0.005 A 102 ILE HG1x H 1 0.963 0.004 A 102 ILE HG2% H 1 0.41 0.003 A 102 ILE CA C 13 57.2 0.038 A 102 ILE CB C 13 37.764 0.082 A 102 ILE CD1 C 13 10 0.018 A 102 ILE CG1 C 13 24.616 0.141 A 102 ILE CG2 C 13 14.502 0.025 A 102 ILE N N 15 125.35 0.018 A 103 ALA H H 1 8.147 0.008 A 103 ALA HA H 1 4.895 0.011 A 103 ALA HB% H 1 1.092 0.006 A 103 ALA CA C 13 47.862 0.004 A 103 ALA CB C 13 16.707 0.019 A 103 ALA N N 15 128.447 0.027 A 104 TYR H H 1 8.665 0.008 A 104 TYR HA H 1 4.82 0.005 A 104 TYR HBx H 1 2.766 0.01 A 104 TYR HBy H 1 2.766 0.01 A 104 TYR HDx H 1 6.81 0.005 A 104 TYR HDy H 1 6.81 0.005 A 104 TYR HEx H 1 6.467 0.006 A 104 TYR HEy H 1 6.467 0.006 A 104 TYR CA C 13 54.278 0.039 A 104 TYR CB C 13 37.966 0.017 A 104 TYR CDx C 13 130.371 0.032 A 104 TYR CEx C 13 115.418 0.055 A 104 TYR N N 15 123.527 0.041 A 105 VAL H H 1 8.724 0.008 A 105 VAL HA H 1 4.712 0.005 A 105 VAL HB H 1 1.9 0.009 A 105 VAL HGx% H 1 0.977 0.012 A 105 VAL HGy% H 1 0.928 0.017 A 105 VAL CA C 13 59.624 0.048 A 105 VAL CB C 13 30.256 0.045 A 105 VAL CGy C 13 20.931 0.015 A 105 VAL CGx C 13 19.579 0.008 A 105 VAL N N 15 120.148 0.045 A 106 MET H H 1 8.772 0.006 A 106 MET HA H 1 4.712 0.003 A 106 MET HBx H 1 1.9 0.02 A 106 MET HBy H 1 2.142 0.003 A 106 MET HGy H 1 2.275 0.003 A 106 MET HGx H 1 2.146 0.001 A 106 MET CA C 13 50.615 0.058 A 106 MET CB C 13 33.207 0.117 A 106 MET CG C 13 28.216 0.047 A 106 MET N N 15 124.389 0.018 A 107 LEU H H 1 8.45 0.012 A 107 LEU HA H 1 4.214 0.011 A 107 LEU HBx H 1 1.723 0.002 A 107 LEU HBy H 1 1.723 0.002 A 107 LEU HDx% H 1 0.838 0.009 A 107 LEU HDy% H 1 0.838 0.009 A 107 LEU HG H 1 1.445 0.003 A 107 LEU CA C 13 53.895 0.086 A 107 LEU N N 15 118.467 0.021 A 108 GLY H H 1 7.806 0.004 A 108 GLY HAy H 1 4.416 0.008 A 108 GLY HAx H 1 3.186 0.006 A 108 GLY CA C 13 40.08 0.026 A 108 GLY N N 15 107.651 0.018 A 109 ASN H H 1 8.779 0.004 A 109 ASN HA H 1 4.397 0.002 A 109 ASN HBx H 1 2.725 0.01 A 109 ASN HBy H 1 2.914 0.008 A 109 ASN HD2y H 1 7.534 0.004 A 109 ASN HD2x H 1 6.749 0.005 A 109 ASN CA C 13 53.149 0.061 A 109 ASN CB C 13 35.888 0.102 A 109 ASN N N 15 117.885 0.023 A 109 ASN ND2 N 15 111.233 0.041 A 110 LYS H H 1 8.557 0.005 A 110 LYS HA H 1 4.527 0.012 A 110 LYS HBx H 1 1.292 0.009 A 110 LYS HBy H 1 1.737 0.015 A 110 LYS HEx H 1 2.878 0.012 A 110 LYS HEy H 1 2.878 0.012 A 110 LYS HGx H 1 1.298 0.004 A 110 LYS HGy H 1 1.447 0.001 A 110 LYS CA C 13 52.907 0.098 A 110 LYS CB C 13 30.184 0.108 A 110 LYS CG C 13 22.59 0.033 A 110 LYS N N 15 116.286 0.017 A 111 ALA H H 1 7.702 0.006 A 111 ALA HA H 1 3.792 0.005 A 111 ALA HB% H 1 1.733 0.008 A 111 ALA CA C 13 54.316 0.069 A 111 ALA CB C 13 16.582 0.025 A 111 ALA N N 15 123.607 0.007 A 112 GLN H H 1 8.605 0.006 A 112 GLN HA H 1 3.801 0.011 A 112 GLN HBx H 1 2.027 0.003 A 112 GLN HE2y H 1 7.415 0.012 A 112 GLN HE2x H 1 6.826 0.007 A 112 GLN HGx H 1 2.344 0.005 A 112 GLN HGy H 1 2.344 0.005 A 112 GLN CA C 13 55.714 0.157 A 112 GLN CB C 13 24.843 0.018 A 112 GLN CG C 13 30.793 0.023 A 112 GLN N N 15 115.007 0.044 A 112 GLN NE2 N 15 110.386 0.039 A 113 THR H H 1 7.442 0.01 A 113 THR HA H 1 4.041 0.021 A 113 THR HB H 1 4.099 0.008 A 113 THR HG2% H 1 1.202 0.007 A 113 THR CA C 13 62.754 0.051 A 113 THR CB C 13 65.564 0.064 A 113 THR CG2 C 13 20.689 0.064 A 113 THR N N 15 114.357 0.035 A 114 VAL H H 1 7.352 0.009 A 114 VAL HA H 1 3.885 0.009 A 114 VAL HB H 1 2.158 0.003 A 114 VAL HGx% H 1 0.929 0.002 A 114 VAL HGy% H 1 0.884 0.011 A 114 VAL CA C 13 62.521 0.026 A 114 VAL CB C 13 29.215 0.068 A 114 VAL CGx C 13 20.464 0.067 A 114 VAL N N 15 119.643 0.04 A 115 LEU H H 1 7.827 0.008 A 115 LEU HA H 1 3.857 0.014 A 115 LEU HBx H 1 1.438 0.004 A 115 LEU HBy H 1 1.824 0.01 A 115 LEU HDx% H 1 0.778 0.018 A 115 LEU HDy% H 1 0.778 0.018 A 115 LEU HG H 1 1.7 0.014 A 115 LEU CA C 13 55.427 0.017 A 115 LEU CB C 13 38.598 0.044 A 115 LEU CDx C 13 22.248 0.010 A 115 LEU N N 15 120.042 0.005 A 116 ASN H H 1 8.212 0.004 A 116 ASN HA H 1 4.62 0.003 A 116 ASN HBx H 1 2.854 0.017 A 116 ASN HBy H 1 2.854 0.017 A 116 ASN CA C 13 50.488 0.046 A 116 ASN CB C 13 35.936 0.072 A 116 ASN N N 15 115.112 0.011 A 117 GLY H H 1 7.434 0.006 A 117 GLY HAy H 1 4.08 0.007 A 117 GLY HAx H 1 3.891 0.007 A 117 GLY CA C 13 43.081 0.027 A 117 GLY N N 15 105.700 0.018 A 118 ASN H H 1 7.87 0.003 A 118 ASN HA H 1 4.821 0.009 A 118 ASN HBy H 1 2.919 0.009 A 118 ASN HBx H 1 2.571 0.006 A 118 ASN CA C 13 50.61 0.033 A 118 ASN CB C 13 37.206 0.136 A 118 ASN N N 15 115.864 0.03 A 119 LEU H H 1 7.398 0.008 A 119 LEU HA H 1 4.432 0.008 A 119 LEU HBx H 1 1.142 0.002 A 119 LEU HBy H 1 1.292 0.017 A 119 LEU HDx% H 1 0.683 0.006 A 119 LEU HDy% H 1 0.878 0.007 A 119 LEU HG H 1 1.275 0.005 A 119 LEU CA C 13 52.651 0.008 A 119 LEU CB C 13 42.244 0.038 A 119 LEU CDy C 13 23.131 0.061 A 119 LEU CDx C 13 20.936 0.015 A 119 LEU N N 15 121.603 0.028 A 120 LYS H H 1 8.388 0.002 A 120 LYS HA H 1 4.601 0.003 A 120 LYS HBx H 1 1.546 0.006 A 120 LYS HBy H 1 1.684 0.005 A 120 LYS HGx H 1 1.556 0.015 A 120 LYS HGy H 1 1.556 0.015 A 120 LYS CA C 13 52.181 0.029 A 120 LYS CB C 13 30.496 0.010 A 120 LYS N N 15 128.172 0.033 A 121 VAL H H 1 8.594 0.007 A 121 VAL HA H 1 4.015 0.004 A 121 VAL HB H 1 1.506 0.007 A 121 VAL HGx% H 1 0.624 0.008 A 121 VAL HGy% H 1 0.667 0.011 A 121 VAL CA C 13 59.145 0.121 A 121 VAL CB C 13 30.885 0.023 A 121 VAL CGy C 13 18.383 0.043 A 121 VAL CGx C 13 18.029 0.127 A 121 VAL N N 15 123.904 0.027 A 122 ASP H H 1 8.207 0.003 A 122 ASP HA H 1 5.348 0.009 A 122 ASP HBx H 1 2.362 0.004 A 122 ASP HBy H 1 2.362 0.004 A 122 ASP CA C 13 49.978 0.03 A 122 ASP CB C 13 40.719 0.008 A 122 ASP N N 15 126.273 0.037 A 123 PHE H H 1 8.916 0.005 A 123 PHE HA H 1 4.807 0.008 A 123 PHE HBy H 1 2.878 0.007 A 123 PHE HBx H 1 2.65 0.008 A 123 PHE HDx H 1 7.026 0.017 A 123 PHE HDy H 1 7.026 0.017 A 123 PHE CA C 13 54.084 0.118 A 123 PHE CB C 13 41.758 0.083 A 123 PHE CDx C 13 128.451 0.211 A 123 PHE N N 15 120.199 0.014 A 124 MET H H 1 8.04 0.013 A 124 MET HA H 1 4.473 0.006 A 124 MET HBx H 1 1.64 0.021 A 124 MET HBy H 1 1.64 0.021 A 124 MET HGx H 1 2.158 0.005 A 124 MET HGy H 1 2.158 0.005 A 124 MET CA C 13 51.325 0.103 A 124 MET CG C 13 28.695 0.008 A 124 MET N N 15 128.106 0.068 A 125 GLU H H 1 8.451 0.003 A 125 GLU HA H 1 3.587 0.005 A 125 GLU HBx H 1 1.824 0.018 A 125 GLU HBy H 1 1.824 0.018 A 125 GLU HGy H 1 2.137 0.006 A 125 GLU HGx H 1 2.018 0.054 A 125 GLU CA C 13 54.42 0.015 A 125 GLU CG C 13 35.197 0.04 A 125 GLU N N 15 126.392 0.004 A 126 THR H H 1 8.388 0.007 A 126 THR HA H 1 4.386 0.005 A 126 THR HB H 1 4.138 0.007 A 126 THR HG2% H 1 0.951 0.002 A 126 THR CA C 13 57.785 0.028 A 126 THR CB C 13 68.157 0.012 A 126 THR CG2 C 13 19.121 0.131 A 126 THR N N 15 113.322 0.009 A 127 GLU H H 1 8.398 0.005 A 127 GLU HA H 1 4.193 0.005 A 127 GLU HBx H 1 1.72 0.005 A 127 GLU HBy H 1 1.72 0.005 A 127 GLU CA C 13 53.809 0.010 A 127 GLU N N 15 121.388 0.035 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 THR HA A 3 THR HG2% 1.0 1.8 3.910 2 2 A 4 LYS HBy A 4 LYS HEx 1.0 1.8 2.500 3 2 A 4 LYS HBx A 4 LYS HEx 1.0 1.8 2.500 4 2 A 4 LYS HEy A 4 LYS HBx 1.0 1.8 2.500 5 2 A 4 LYS HBy A 4 LYS HEy 1.0 1.8 2.500 6 3 A 4 LYS HA A 4 LYS HGx 1.0 1.8 3.620 7 3 A 4 LYS HA A 4 LYS HGy 1.0 1.8 3.620 8 4 A 4 LYS HBx A 4 LYS HGx 1.0 1.8 2.530 9 4 A 4 LYS HBy A 4 LYS HGx 1.0 1.8 2.530 10 4 A 4 LYS HGy A 4 LYS HBx 1.0 1.8 2.530 11 4 A 4 LYS HBy A 4 LYS HGy 1.0 1.8 2.530 12 5 A 4 LYS HA A 4 LYS HBx 1.0 1.8 2.800 13 5 A 4 LYS HBy A 4 LYS HA 1.0 1.8 2.800 14 6 A 5 ASP H A 4 LYS HBx 1.0 1.8 4.340 15 6 A 4 LYS HBy A 5 ASP H 1.0 1.8 4.340 16 7 A 4 LYS H A 4 LYS HEx 1.0 1.8 5.500 17 7 A 4 LYS HEy A 4 LYS H 1.0 1.8 5.500 18 8 A 5 ASP H A 4 LYS HGx 1.0 1.8 5.120 19 8 A 4 LYS HGy A 5 ASP H 1.0 1.8 5.120 20 9 A 4 LYS H A 4 LYS HGx 1.0 1.8 5.500 21 9 A 4 LYS HGy A 4 LYS H 1.0 1.8 5.500 22 10 A 4 LYS HBy A 5 ASP HBy 1.0 1.8 4.750 23 10 A 4 LYS HBx A 5 ASP HBy 1.0 1.8 4.750 24 10 A 5 ASP HBx A 4 LYS HBx 1.0 1.8 4.750 25 10 A 4 LYS HBy A 5 ASP HBx 1.0 1.8 4.750 26 11 A 5 ASP HA A 6 TYR HD% 1.0 1.8 5.420 27 12 A 5 ASP HA A 6 TYR H 1.0 1.8 2.780 28 13 A 5 ASP H A 6 TYR H 1.0 1.8 4.810 29 14 A 5 ASP H A 5 ASP HBy 1.0 1.8 3.590 30 14 A 5 ASP H A 5 ASP HBx 1.0 1.8 3.590 31 15 A 6 TYR H A 5 ASP HBy 1.0 1.8 4.390 32 15 A 5 ASP HBx A 6 TYR H 1.0 1.8 4.390 33 16 A 6 TYR HD% A 6 TYR HA 1.0 1.8 3.850 34 17 A 6 TYR HD% A 6 TYR H 1.0 1.8 4.500 35 18 A 7 LYS H A 6 TYR HBx 1.0 1.8 4.480 36 19 A 7 LYS H A 6 TYR HBy 1.0 1.8 4.480 37 20 A 6 TYR H A 6 TYR HBy 1.0 1.8 3.840 38 21 A 6 TYR H A 6 TYR HBx 1.0 1.8 3.840 39 22 A 6 TYR H A 7 LYS H 1.0 1.8 4.950 40 23 A 6 TYR H A 6 TYR HBx 1.0 1.8 3.260 41 23 A 6 TYR H A 6 TYR HBy 1.0 1.8 3.260 42 24 A 6 TYR HA A 6 TYR HBx 1.0 1.8 2.580 43 24 A 6 TYR HA A 6 TYR HBy 1.0 1.8 2.580 44 25 A 7 LYS H A 6 TYR HBx 1.0 1.8 3.820 45 25 A 7 LYS H A 6 TYR HBy 1.0 1.8 3.820 46 26 A 7 LYS HA A 7 LYS HBx 1.0 1.8 3.020 47 26 A 7 LYS HA A 7 LYS HBy 1.0 1.8 3.020 48 27 A 7 LYS HBy A 7 LYS HGx 1.0 1.8 2.720 49 27 A 7 LYS HBx A 7 LYS HGx 1.0 1.8 2.720 50 27 A 7 LYS HGy A 7 LYS HBx 1.0 1.8 2.720 51 27 A 7 LYS HBy A 7 LYS HGy 1.0 1.8 2.720 52 28 A 7 LYS HA A 7 LYS HGx 1.0 1.8 3.150 53 28 A 7 LYS HA A 7 LYS HGy 1.0 1.8 3.150 54 29 A 7 LYS HA A 8 THR H 1.0 1.8 3.030 55 30 A 8 THR H A 7 LYS HBx 1.0 1.8 3.830 56 30 A 7 LYS HBy A 8 THR H 1.0 1.8 3.830 57 31 A 8 THR H A 7 LYS HGx 1.0 1.8 4.900 58 31 A 7 LYS HGy A 8 THR H 1.0 1.8 4.900 59 32 A 7 LYS H A 8 THR H 1.0 1.8 5.100 60 33 A 8 THR HG2% A 10 ASP HA 1.0 1.8 5.500 61 34 A 8 THR HA A 9 ARG HGx 1.0 1.8 5.500 62 34 A 8 THR HA A 9 ARG HGy 1.0 1.8 5.500 63 35 A 8 THR HG2% A 9 ARG H 1.0 1.8 3.590 64 36 A 8 THR HG2% A 9 ARG HBx 1.0 1.8 3.510 65 36 A 8 THR HG2% A 9 ARG HBy 1.0 1.8 3.510 66 37 A 8 THR HG2% A 9 ARG HA 1.0 1.8 4.580 67 38 A 8 THR HG2% A 8 THR HA 1.0 1.8 3.540 68 39 A 8 THR HG2% A 10 ASP H 1.0 1.8 5.500 69 40 A 8 THR H A 8 THR HG2% 1.0 1.8 4.020 70 41 A 9 ARG H A 8 THR HB 1.0 1.8 3.900 71 42 A 8 THR H A 9 ARG H 1.0 1.8 4.670 72 43 A 8 THR H A 8 THR HB 1.0 1.8 3.780 73 44 A 8 THR HA A 9 ARG H 1.0 1.8 3.110 74 45 A 8 THR HG2% A 9 ARG HDy 1.0 1.8 5.300 75 45 A 8 THR HG2% A 9 ARG HDx 1.0 1.8 5.300 76 46 A 9 ARG HA A 9 ARG HGx 1.0 1.8 3.220 77 46 A 9 ARG HGy A 9 ARG HA 1.0 1.8 3.220 78 47 A 9 ARG HBx A 9 ARG HDy 1.0 1.8 2.970 79 47 A 9 ARG HBy A 9 ARG HDy 1.0 1.8 2.970 80 48 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 2.970 81 48 A 9 ARG HDx A 9 ARG HBx 1.0 1.8 2.970 82 49 A 9 ARG HA A 10 ASP H 1.0 1.8 3.090 83 50 A 9 ARG H A 9 ARG HGx 1.0 1.8 3.880 84 50 A 9 ARG HGy A 9 ARG H 1.0 1.8 3.880 85 51 A 10 ASP H A 9 ARG HBx 1.0 1.8 3.860 86 51 A 9 ARG HBy A 10 ASP H 1.0 1.8 3.860 87 52 A 10 ASP H A 9 ARG HGx 1.0 1.8 4.230 88 52 A 9 ARG HGy A 10 ASP H 1.0 1.8 4.230 89 53 A 9 ARG H A 9 ARG HBx 1.0 1.8 3.600 90 53 A 9 ARG H A 9 ARG HBy 1.0 1.8 3.600 91 54 A 9 ARG HBx A 9 ARG HDy 1.0 1.8 2.580 92 54 A 9 ARG HBy A 9 ARG HDy 1.0 1.8 2.580 93 54 A 9 ARG HDx A 9 ARG HBx 1.0 1.8 2.580 94 54 A 9 ARG HBy A 9 ARG HDx 1.0 1.8 2.580 95 55 A 10 ASP HA A 122 ASP HA 1.0 1.8 4.350 96 56 A 10 ASP HA A 11 VAL HGx% 1.0 1.8 5.500 97 57 A 10 ASP HA A 11 VAL HGy% 1.0 1.8 5.500 98 58 A 10 ASP HA A 122 ASP HBx 1.0 1.8 4.880 99 58 A 10 ASP HA A 122 ASP HBy 1.0 1.8 4.880 100 59 A 11 VAL H A 10 ASP HBy 1.0 1.8 4.380 101 60 A 12 THR H A 10 ASP HBx 1.0 1.8 5.140 102 61 A 12 THR H A 10 ASP HBy 1.0 1.8 5.140 103 62 A 10 ASP H A 122 ASP HA 1.0 1.8 5.500 104 63 A 11 VAL H A 10 ASP HBx 1.0 1.8 4.380 105 64 A 10 ASP HA A 11 VAL H 1.0 1.8 3.390 106 65 A 10 ASP H A 10 ASP HBy 1.0 1.8 2.770 107 65 A 10 ASP H A 10 ASP HBx 1.0 1.8 2.770 108 66 A 10 ASP H A 11 VAL HGy% 1.0 1.8 5.440 109 67 A 10 ASP HA A 11 VAL HGy% 1.0 1.8 4.520 110 68 A 11 VAL HA A 10 ASP HBy 1.0 1.8 5.210 111 68 A 10 ASP HBx A 11 VAL HA 1.0 1.8 5.210 112 69 A 12 THR H A 10 ASP HBy 1.0 1.8 4.400 113 69 A 12 THR H A 10 ASP HBx 1.0 1.8 4.400 114 70 A 12 THR HG2% A 10 ASP HBy 1.0 1.8 3.400 115 70 A 10 ASP HBx A 12 THR HG2% 1.0 1.8 3.400 116 71 A 122 ASP HA A 10 ASP HBy 1.0 1.8 4.650 117 71 A 122 ASP HA A 10 ASP HBx 1.0 1.8 4.650 118 72 A 122 ASP HA A 11 VAL HGy% 1.0 1.8 4.760 119 73 A 122 ASP HA A 11 VAL HGx% 1.0 1.8 4.760 120 74 A 11 VAL HGx% A 123 PHE HA 1.0 1.8 4.960 121 75 A 11 VAL HGx% A 11 VAL HA 1.0 1.8 3.930 122 76 A 11 VAL HGy% A 123 PHE HBy 1.0 1.8 4.910 123 77 A 11 VAL HGy% A 11 VAL HA 1.0 1.8 3.930 124 78 A 11 VAL HGy% A 123 PHE HBx 1.0 1.8 4.910 125 79 A 11 VAL HGx% A 123 PHE HBx 1.0 1.8 4.910 126 80 A 11 VAL HGx% A 123 PHE HBy 1.0 1.8 4.910 127 81 A 11 VAL HGy% A 123 PHE HD% 1.0 1.8 4.980 128 82 A 11 VAL HB A 79 LEU HDx% 1.0 1.8 5.500 129 83 A 11 VAL HB A 79 LEU HDy% 1.0 1.8 5.500 130 84 A 11 VAL HGy% A 123 PHE HA 1.0 1.8 4.960 131 85 A 11 VAL H A 122 ASP HBx 1.0 1.8 4.540 132 85 A 122 ASP HBy A 11 VAL H 1.0 1.8 4.540 133 86 A 11 VAL HB A 15 VAL H 1.0 1.8 5.500 134 87 A 11 VAL HA A 14 ASP H 1.0 1.8 3.790 135 88 A 11 VAL HGy% A 123 PHE H 1.0 1.8 4.290 136 89 A 11 VAL HGy% A 12 THR H 1.0 1.8 4.630 137 90 A 122 ASP HA A 11 VAL H 1.0 1.8 4.180 138 91 A 11 VAL HGx% A 123 PHE H 1.0 1.8 4.290 139 92 A 11 VAL HGx% A 12 THR H 1.0 1.8 4.630 140 93 A 11 VAL H A 123 PHE H 1.0 1.8 4.540 141 94 A 11 VAL HGx% A 123 PHE HD% 1.0 1.8 4.980 142 95 A 11 VAL HGy% A 11 VAL H 1.0 1.8 3.580 143 96 A 11 VAL HA A 14 ASP HBy 1.0 1.8 5.340 144 96 A 11 VAL HA A 14 ASP HBx 1.0 1.8 5.340 145 97 A 11 VAL HA A 15 VAL HGx% 1.0 1.8 5.440 146 97 A 11 VAL HA A 15 VAL HG21 1.0 1.8 5.440 147 98 A 11 VAL HB A 15 VAL HGx% 1.0 1.8 5.440 148 98 A 11 VAL HB A 15 VAL HG21 1.0 1.8 5.440 149 99 A 11 VAL HB A 121 VAL HGy% 1.0 1.8 5.440 150 100 A 11 VAL HGy% A 12 THR H 1.0 1.8 4.010 151 101 A 11 VAL HGy% A 14 ASP H 1.0 1.8 4.810 152 102 A 11 VAL HGy% A 15 VAL H 1.0 1.8 4.200 153 103 A 11 VAL HGy% A 15 VAL HB 1.0 1.8 5.440 154 104 A 11 VAL HGx% A 15 VAL HGx% 1.0 1.8 3.250 155 104 A 11 VAL HGx% A 15 VAL HG21 1.0 1.8 3.250 156 105 A 11 VAL HGx% A 79 LEU HDx% 1.0 1.8 3.520 157 106 A 11 VAL HGy% A 121 VAL HB 1.0 1.8 5.440 158 107 A 122 ASP HA A 11 VAL HGy% 1.0 1.8 3.860 159 108 A 11 VAL HGy% A 123 PHE H 1.0 1.8 3.700 160 109 A 11 VAL HGy% A 123 PHE HA 1.0 1.8 3.990 161 110 A 11 VAL HGy% A 123 PHE HBy 1.0 1.8 3.400 162 110 A 11 VAL HGy% A 123 PHE HBx 1.0 1.8 3.400 163 111 A 11 VAL HGy% A 123 PHE HD% 1.0 1.8 4.320 164 112 A 12 THR HG2% A 120 LYS HA 1.0 1.8 3.520 165 113 A 12 THR HG2% A 119 LEU HDy% 1.0 1.8 4.800 166 114 A 15 VAL HB A 12 THR HB 1.0 1.8 4.350 167 115 A 12 THR HG2% A 12 THR HA 1.0 1.8 3.730 168 116 A 12 THR HG2% A 119 LEU HDx% 1.0 1.8 4.800 169 117 A 12 THR HG2% A 120 LYS HBx 1.0 1.8 2.400 170 118 A 15 VAL H A 12 THR HB 1.0 1.8 5.500 171 119 A 12 THR HB A 120 LYS H 1.0 1.8 5.500 172 120 A 14 ASP H A 12 THR HA 1.0 1.8 5.500 173 121 A 12 THR HG2% A 15 VAL HB 1.0 1.8 4.910 174 122 A 12 THR HG2% A 120 LYS HBy 1.0 1.8 2.400 175 123 A 12 THR HG2% A 120 LYS H 1.0 1.8 5.500 176 124 A 12 THR HG2% A 119 LEU H 1.0 1.8 5.500 177 125 A 12 THR HG2% A 16 LYS HEx 1.0 1.8 5.500 178 125 A 12 THR HG2% A 16 LYS HEy 1.0 1.8 5.500 179 126 A 12 THR H A 12 THR HG2% 1.0 1.8 4.090 180 127 A 12 THR HG2% A 13 ASP H 1.0 1.8 4.170 181 128 A 12 THR HG2% A 14 ASP H 1.0 1.8 5.500 182 129 A 14 ASP H A 12 THR HB 1.0 1.8 5.500 183 130 A 12 THR H A 12 THR HG1 1.0 1.8 4.300 184 131 A 12 THR HB A 121 VAL H 1.0 1.8 4.990 185 132 A 12 THR HG2% A 121 VAL H 1.0 1.8 3.640 186 133 A 12 THR HG2% A 16 LYS H 1.0 1.8 5.500 187 134 A 12 THR H A 15 VAL H 1.0 1.8 5.280 188 135 A 12 THR H A 12 THR HB 1.0 1.8 4.120 189 136 A 12 THR HB A 13 ASP H 1.0 1.8 5.000 190 137 A 12 THR H A 120 LYS HBy 1.0 1.8 5.340 191 137 A 12 THR H A 120 LYS HBx 1.0 1.8 5.340 192 138 A 121 VAL HGy% A 12 THR HA 1.0 1.8 5.370 193 139 A 12 THR HB A 15 VAL HGx% 1.0 1.8 4.950 194 139 A 15 VAL HG21 A 12 THR HB 1.0 1.8 4.950 195 140 A 12 THR HB A 120 LYS HBy 1.0 1.8 4.560 196 140 A 12 THR HB A 120 LYS HBx 1.0 1.8 4.560 197 141 A 121 VAL HGy% A 12 THR HB 1.0 1.8 5.440 198 142 A 12 THR HG2% A 15 VAL HGx% 1.0 1.8 4.410 199 142 A 12 THR HG2% A 15 VAL HG21 1.0 1.8 4.410 200 143 A 12 THR HG2% A 121 VAL HGy% 1.0 1.8 3.890 201 144 A 13 ASP HA A 16 LYS HBx 1.0 1.8 4.130 202 145 A 13 ASP HA A 16 LYS HBy 1.0 1.8 4.130 203 146 A 16 LYS H A 13 ASP HA 1.0 1.8 3.790 204 147 A 15 VAL H A 13 ASP HBx 1.0 1.8 5.500 205 147 A 15 VAL H A 13 ASP HBy 1.0 1.8 5.500 206 148 A 14 ASP H A 13 ASP H 1.0 1.8 3.700 207 149 A 14 ASP H A 13 ASP HBx 1.0 1.8 3.370 208 149 A 14 ASP H A 13 ASP HBy 1.0 1.8 3.370 209 150 A 13 ASP H A 13 ASP HBx 1.0 1.8 3.280 210 150 A 13 ASP H A 13 ASP HBy 1.0 1.8 3.280 211 151 A 13 ASP HA A 16 LYS HBx 1.0 1.8 3.330 212 151 A 13 ASP HA A 16 LYS HBy 1.0 1.8 3.330 213 152 A 14 ASP HA A 17 SER H 1.0 1.8 4.920 214 153 A 14 ASP H A 14 ASP HA 1.0 1.8 2.900 215 154 A 14 ASP HBx A 18 ILE HD1% 1.0 1.8 5.500 216 155 A 18 ILE HD1% A 14 ASP HBy 1.0 1.8 5.500 217 156 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.790 218 157 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.790 219 158 A 15 VAL H A 14 ASP H 1.0 1.8 3.640 220 159 A 14 ASP H A 15 VAL HB 1.0 1.8 4.980 221 160 A 14 ASP H A 15 VAL HGx% 1.0 1.8 4.260 222 160 A 14 ASP H A 15 VAL HG21 1.0 1.8 4.260 223 161 A 14 ASP H A 16 LYS HBx 1.0 1.8 5.330 224 161 A 14 ASP H A 16 LYS HBy 1.0 1.8 5.330 225 162 A 15 VAL H A 14 ASP HBy 1.0 1.8 3.260 226 162 A 15 VAL H A 14 ASP HBx 1.0 1.8 3.260 227 163 A 79 LEU HDx% A 14 ASP HBx 1.0 1.8 6.000 228 164 A 79 LEU HDx% A 14 ASP HBy 1.0 1.8 6.000 229 165 A 15 VAL HA A 18 ILE HB 1.0 1.8 4.040 230 166 A 15 VAL HA A 18 ILE HG2% 1.0 1.8 4.090 231 167 A 18 ILE HD1% A 15 VAL HA 1.0 1.8 4.000 232 168 A 15 VAL H A 16 LYS HA 1.0 1.8 5.500 233 169 A 15 VAL HA A 19 VAL H 1.0 1.8 4.790 234 170 A 79 LEU HDx% A 15 VAL HA 1.0 1.8 5.500 235 171 A 79 LEU HDy% A 15 VAL HA 1.0 1.8 5.500 236 172 A 15 VAL H A 15 VAL HB 1.0 1.8 3.640 237 173 A 15 VAL HB A 16 LYS H 1.0 1.8 3.920 238 174 A 15 VAL H A 16 LYS H 1.0 1.8 3.900 239 175 A 15 VAL H A 17 SER H 1.0 1.8 5.030 240 176 A 15 VAL HA A 18 ILE H 1.0 1.8 4.110 241 177 A 15 VAL H A 18 ILE H 1.0 1.8 5.500 242 178 A 15 VAL H A 18 ILE HD1% 1.0 1.8 5.500 243 179 A 15 VAL H A 15 VAL HGx% 1.0 1.8 3.260 244 179 A 15 VAL H A 15 VAL HG21 1.0 1.8 3.260 245 180 A 79 LEU HDx% A 15 VAL H 1.0 1.8 5.500 246 181 A 15 VAL HA A 18 ILE HG1y 1.0 1.8 5.340 247 181 A 15 VAL HA A 18 ILE HG1x 1.0 1.8 5.340 248 182 A 15 VAL HA A 83 LEU HDx% 1.0 1.8 5.440 249 183 A 79 LEU HDx% A 15 VAL HB 1.0 1.8 5.500 250 184 A 121 VAL HGy% A 15 VAL HB 1.0 1.8 4.210 251 185 A 16 LYS H A 15 VAL HGx% 1.0 1.8 4.160 252 185 A 15 VAL HG21 A 16 LYS H 1.0 1.8 4.160 253 186 A 18 ILE HD1% A 15 VAL HGx% 1.0 1.8 4.270 254 186 A 15 VAL HG21 A 18 ILE HD1% 1.0 1.8 4.270 255 187 A 79 LEU HDx% A 15 VAL HGx% 1.0 1.8 3.690 256 187 A 79 LEU HDx% A 15 VAL HG21 1.0 1.8 3.690 257 188 A 83 LEU HDx% A 15 VAL HGx% 1.0 1.8 3.580 258 188 A 15 VAL HG21 A 83 LEU HDx% 1.0 1.8 3.580 259 189 A 16 LYS HDy A 16 LYS HEx 1.0 1.8 2.850 260 189 A 16 LYS HDx A 16 LYS HEx 1.0 1.8 2.850 261 189 A 16 LYS HEy A 16 LYS HDx 1.0 1.8 2.850 262 189 A 16 LYS HEy A 16 LYS HDy 1.0 1.8 2.850 263 190 A 16 LYS HA A 19 VAL HB 1.0 1.8 3.390 264 191 A 16 LYS HA A 20 ARG H 1.0 1.8 5.500 265 192 A 16 LYS HA A 16 LYS HDx 1.0 1.8 3.890 266 192 A 16 LYS HA A 16 LYS HDy 1.0 1.8 3.890 267 193 A 16 LYS HA A 16 LYS HEx 1.0 1.8 5.500 268 193 A 16 LYS HEy A 16 LYS HA 1.0 1.8 5.500 269 194 A 16 LYS HA A 19 VAL H 1.0 1.8 4.240 270 195 A 16 LYS H A 16 LYS HGx 1.0 1.8 4.190 271 195 A 16 LYS H A 16 LYS HGy 1.0 1.8 4.190 272 196 A 16 LYS H A 16 LYS HBy 1.0 1.8 3.480 273 197 A 16 LYS H A 17 SER H 1.0 1.8 3.900 274 198 A 16 LYS HBy A 17 SER H 1.0 1.8 3.880 275 199 A 17 SER H A 16 LYS HBx 1.0 1.8 3.880 276 200 A 17 SER H A 16 LYS HGx 1.0 1.8 5.360 277 200 A 17 SER H A 16 LYS HGy 1.0 1.8 5.360 278 201 A 16 LYS H A 16 LYS HBx 1.0 1.8 3.480 279 202 A 16 LYS H A 16 LYS HBx 1.0 1.8 2.910 280 202 A 16 LYS H A 16 LYS HBy 1.0 1.8 2.910 281 203 A 16 LYS H A 19 VAL HGy% 1.0 1.8 4.720 282 204 A 16 LYS HA A 19 VAL HGy% 1.0 1.8 3.250 283 205 A 16 LYS HBx A 16 LYS HEx 1.0 1.8 4.830 284 205 A 16 LYS HBy A 16 LYS HEx 1.0 1.8 4.830 285 205 A 16 LYS HEy A 16 LYS HBx 1.0 1.8 4.830 286 205 A 16 LYS HEy A 16 LYS HBy 1.0 1.8 4.830 287 206 A 19 VAL HGy% A 16 LYS HEx 1.0 1.8 4.270 288 206 A 16 LYS HEy A 19 VAL HGy% 1.0 1.8 4.270 289 207 A 17 SER H A 18 ILE H 1.0 1.8 3.830 290 208 A 17 SER H A 17 SER HBx 1.0 1.8 3.380 291 208 A 17 SER H A 17 SER HBy 1.0 1.8 3.380 292 209 A 20 ARG H A 17 SER HA 1.0 1.8 4.690 293 210 A 17 SER H A 19 VAL H 1.0 1.8 4.720 294 211 A 17 SER H A 20 ARG H 1.0 1.8 5.500 295 212 A 18 ILE H A 17 SER HBx 1.0 1.8 4.440 296 212 A 18 ILE H A 17 SER HBy 1.0 1.8 4.440 297 213 A 17 SER HA A 21 PHE H 1.0 1.8 5.500 298 214 A 79 LEU HDx% A 18 ILE HD1% 1.0 1.8 5.200 299 215 A 18 ILE HG2% A 18 ILE HA 1.0 1.8 3.660 300 216 A 18 ILE HG2% A 19 VAL HGx% 1.0 1.8 4.540 301 217 A 21 PHE H A 18 ILE HA 1.0 1.8 5.380 302 218 A 18 ILE HD1% A 19 VAL H 1.0 1.8 5.000 303 219 A 18 ILE HD1% A 52 PHE HE% 1.0 1.8 4.700 304 220 A 18 ILE HD1% A 80 PHE HE% 1.0 1.8 5.210 305 221 A 18 ILE HD1% A 18 ILE HB 1.0 1.8 3.830 306 222 A 18 ILE HG2% A 80 PHE HZ 1.0 1.8 5.500 307 223 A 18 ILE HB A 19 VAL HA 1.0 1.8 5.130 308 224 A 18 ILE HD1% A 52 PHE HD% 1.0 1.8 5.500 309 225 A 18 ILE HD1% A 83 LEU HG 1.0 1.8 5.500 310 226 A 79 LEU HDx% A 18 ILE HG2% 1.0 1.8 5.500 311 227 A 79 LEU HDy% A 18 ILE HG2% 1.0 1.8 5.500 312 228 A 18 ILE HG2% A 19 VAL HGy% 1.0 1.8 4.540 313 229 A 18 ILE HG1x A 80 PHE HZ 1.0 1.8 5.500 314 230 A 18 ILE HA A 52 PHE HD% 1.0 1.8 5.500 315 231 A 18 ILE HG2% A 21 PHE HBx 1.0 1.8 4.410 316 231 A 18 ILE HG2% A 21 PHE HBy 1.0 1.8 4.410 317 232 A 18 ILE HG2% A 19 VAL HB 1.0 1.8 4.570 318 233 A 18 ILE HG2% A 19 VAL HA 1.0 1.8 4.090 319 234 A 18 ILE HD1% A 18 ILE HA 1.0 1.8 4.530 320 235 A 79 LEU HDy% A 18 ILE HD1% 1.0 1.8 5.200 321 236 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.8 2.960 322 237 A 18 ILE HA A 64 ILE HD1% 1.0 1.8 3.660 323 238 A 18 ILE HG2% A 19 VAL H 1.0 1.8 3.940 324 239 A 18 ILE HG2% A 18 ILE H 1.0 1.8 3.710 325 240 A 18 ILE H A 19 VAL HB 1.0 1.8 4.990 326 241 A 19 VAL H A 18 ILE H 1.0 1.8 4.020 327 242 A 18 ILE HB A 18 ILE H 1.0 1.8 3.380 328 243 A 18 ILE HB A 19 VAL H 1.0 1.8 3.700 329 244 A 18 ILE HG2% A 22 VAL H 1.0 1.8 4.700 330 245 A 18 ILE HD1% A 18 ILE H 1.0 1.8 4.260 331 246 A 18 ILE HG2% A 20 ARG H 1.0 1.8 5.060 332 247 A 18 ILE H A 20 ARG H 1.0 1.8 5.500 333 248 A 18 ILE HD1% A 80 PHE HZ 1.0 1.8 4.390 334 249 A 18 ILE HD1% A 80 PHE HE% 1.0 1.8 5.370 335 250 A 80 PHE HZ A 18 ILE HG1y 1.0 1.8 5.500 336 251 A 18 ILE H A 18 ILE HG1y 1.0 1.8 4.370 337 251 A 18 ILE H A 18 ILE HG1x 1.0 1.8 4.370 338 252 A 18 ILE H A 19 VAL HGy% 1.0 1.8 4.630 339 253 A 18 ILE HG2% A 19 VAL HGy% 1.0 1.8 3.700 340 254 A 18 ILE HG2% A 22 VAL HGy% 1.0 1.8 4.650 341 255 A 19 VAL H A 18 ILE HG1y 1.0 1.8 5.200 342 255 A 19 VAL H A 18 ILE HG1x 1.0 1.8 5.200 343 256 A 52 PHE HD% A 18 ILE HG1y 1.0 1.8 4.660 344 256 A 18 ILE HG1x A 52 PHE HD% 1.0 1.8 4.660 345 257 A 64 ILE HD1% A 18 ILE HG1y 1.0 1.8 3.900 346 257 A 18 ILE HG1x A 64 ILE HD1% 1.0 1.8 3.900 347 258 A 18 ILE HD1% A 22 VAL HGy% 1.0 1.8 5.440 348 259 A 79 LEU HDx% A 18 ILE HD1% 1.0 1.8 4.300 349 260 A 18 ILE HD1% A 83 LEU HDx% 1.0 1.8 4.250 350 261 A 18 ILE HA A 22 VAL H 1.0 1.8 5.500 351 262 A 19 VAL HA A 22 VAL H 1.0 1.8 4.390 352 263 A 19 VAL HA A 20 ARG HBx 1.0 1.8 5.420 353 263 A 19 VAL HA A 20 ARG HBy 1.0 1.8 5.420 354 264 A 19 VAL H A 19 VAL HB 1.0 1.8 3.540 355 265 A 19 VAL H A 20 ARG H 1.0 1.8 3.810 356 266 A 19 VAL HA A 23 GLN H 1.0 1.8 5.430 357 267 A 19 VAL HB A 20 ARG H 1.0 1.8 3.770 358 268 A 19 VAL H A 21 PHE H 1.0 1.8 4.920 359 269 A 19 VAL H A 20 ARG HA 1.0 1.8 5.500 360 270 A 19 VAL H A 19 VAL HGy% 1.0 1.8 2.940 361 271 A 19 VAL HA A 22 VAL HGy% 1.0 1.8 3.810 362 272 A 20 ARG H A 19 VAL HGy% 1.0 1.8 3.970 363 273 A 19 VAL HGy% A 20 ARG HA 1.0 1.8 5.500 364 274 A 19 VAL HGy% A 21 PHE H 1.0 1.8 5.440 365 275 A 19 VAL HGy% A 23 GLN H 1.0 1.8 5.030 366 276 A 21 PHE HA A 20 ARG HGx 1.0 1.8 5.500 367 276 A 20 ARG HGy A 21 PHE HA 1.0 1.8 5.500 368 277 A 20 ARG HBy A 20 ARG HDx 1.0 1.8 3.650 369 277 A 20 ARG HDy A 20 ARG HBx 1.0 1.8 3.650 370 277 A 20 ARG HBy A 20 ARG HDy 1.0 1.8 3.650 371 277 A 20 ARG HBx A 20 ARG HDx 1.0 1.8 3.650 372 278 A 20 ARG HA A 23 GLN HBy 1.0 1.8 4.340 373 279 A 21 PHE HD% A 20 ARG HBx 1.0 1.8 5.500 374 279 A 20 ARG HBy A 21 PHE HD% 1.0 1.8 5.500 375 280 A 23 GLN H A 20 ARG HA 1.0 1.8 4.690 376 281 A 20 ARG H A 20 ARG HBx 1.0 1.8 2.660 377 281 A 20 ARG H A 20 ARG HBy 1.0 1.8 2.660 378 282 A 20 ARG HA A 20 ARG HDx 1.0 1.8 4.700 379 282 A 20 ARG HA A 20 ARG HDy 1.0 1.8 4.700 380 283 A 20 ARG HA A 23 GLN HBx 1.0 1.8 4.340 381 284 A 20 ARG HDx A 20 ARG HGx 1.0 1.8 2.400 382 284 A 20 ARG HDy A 20 ARG HGx 1.0 1.8 2.400 383 284 A 20 ARG HGy A 20 ARG HDx 1.0 1.8 2.400 384 284 A 20 ARG HGy A 20 ARG HDy 1.0 1.8 2.400 385 285 A 21 PHE H A 20 ARG HBx 1.0 1.8 3.460 386 285 A 21 PHE H A 20 ARG HBy 1.0 1.8 3.460 387 286 A 22 VAL H A 20 ARG HBx 1.0 1.8 5.200 388 286 A 22 VAL H A 20 ARG HBy 1.0 1.8 5.200 389 287 A 20 ARG H A 21 PHE HA 1.0 1.8 5.460 390 288 A 20 ARG H A 21 PHE H 1.0 1.8 3.890 391 289 A 20 ARG HA A 23 GLN HBy 1.0 1.8 3.610 392 289 A 20 ARG HA A 23 GLN HBx 1.0 1.8 3.610 393 290 A 64 ILE HD1% A 21 PHE HD% 1.0 1.8 4.430 394 291 A 21 PHE HE% A 64 ILE HG2% 1.0 1.8 3.840 395 292 A 21 PHE HD% A 64 ILE HG2% 1.0 1.8 3.610 396 293 A 21 PHE H A 64 ILE HG2% 1.0 1.8 5.500 397 294 A 21 PHE HA A 21 PHE HD% 1.0 1.8 4.190 398 295 A 21 PHE HD% A 22 VAL HA 1.0 1.8 5.500 399 296 A 21 PHE HD% A 63 GLY HAy 1.0 1.8 5.180 400 297 A 21 PHE HD% A 63 GLY HAx 1.0 1.8 5.180 401 298 A 21 PHE HE% A 63 GLY HAy 1.0 1.8 5.500 402 299 A 21 PHE HE% A 63 GLY HAx 1.0 1.8 5.500 403 300 A 64 ILE HG2% A 21 PHE HBx 1.0 1.8 5.060 404 300 A 21 PHE HBy A 64 ILE HG2% 1.0 1.8 5.060 405 301 A 21 PHE HA A 64 ILE HG2% 1.0 1.8 5.500 406 302 A 64 ILE HD1% A 21 PHE HBx 1.0 1.8 4.110 407 302 A 21 PHE HBy A 64 ILE HD1% 1.0 1.8 4.110 408 303 A 21 PHE HE% A 64 ILE HB 1.0 1.8 5.500 409 304 A 22 VAL H A 21 PHE HD% 1.0 1.8 4.770 410 305 A 21 PHE HA A 24 GLU H 1.0 1.8 4.530 411 306 A 21 PHE H A 21 PHE HD% 1.0 1.8 4.250 412 307 A 21 PHE H A 22 VAL H 1.0 1.8 4.040 413 308 A 21 PHE H A 23 GLN H 1.0 1.8 5.220 414 309 A 23 GLN H A 21 PHE HBx 1.0 1.8 4.720 415 309 A 21 PHE HBy A 23 GLN H 1.0 1.8 4.720 416 310 A 21 PHE HE% A 64 ILE H 1.0 1.8 4.980 417 311 A 21 PHE H A 21 PHE HBx 1.0 1.8 3.230 418 311 A 21 PHE H A 21 PHE HBy 1.0 1.8 3.230 419 312 A 22 VAL H A 21 PHE HBx 1.0 1.8 3.770 420 312 A 21 PHE HBy A 22 VAL H 1.0 1.8 3.770 421 313 A 21 PHE H A 22 VAL HGy% 1.0 1.8 5.440 422 314 A 21 PHE HA A 24 GLU HBy 1.0 1.8 4.710 423 314 A 21 PHE HA A 24 GLU HBx 1.0 1.8 4.710 424 315 A 21 PHE HA A 24 GLU HGx 1.0 1.8 3.220 425 315 A 21 PHE HA A 24 GLU HGy 1.0 1.8 3.220 426 316 A 21 PHE HA A 64 ILE HG1x 1.0 1.8 5.340 427 316 A 21 PHE HA A 64 ILE HG1y 1.0 1.8 5.340 428 317 A 21 PHE HBx A 64 ILE HG1x 1.0 1.8 4.920 429 317 A 21 PHE HBy A 64 ILE HG1x 1.0 1.8 4.920 430 317 A 64 ILE HG1y A 21 PHE HBx 1.0 1.8 4.920 431 317 A 21 PHE HBy A 64 ILE HG1y 1.0 1.8 4.920 432 318 A 22 VAL HGy% A 21 PHE HD% 1.0 1.8 5.370 433 319 A 21 PHE HD% A 63 GLY HAx 1.0 1.8 4.550 434 319 A 21 PHE HD% A 63 GLY HAy 1.0 1.8 4.550 435 320 A 21 PHE HE% A 63 GLY HAx 1.0 1.8 4.710 436 320 A 21 PHE HE% A 63 GLY HAy 1.0 1.8 4.710 437 321 A 22 VAL HGy% A 22 VAL HA 1.0 1.8 3.610 438 322 A 22 VAL HA A 22 VAL HGx% 1.0 1.8 3.610 439 323 A 22 VAL HA A 25 HIS HD2 1.0 1.8 5.500 440 324 A 22 VAL H A 22 VAL HGx% 1.0 1.8 3.850 441 325 A 22 VAL H A 22 VAL HGy% 1.0 1.8 3.850 442 326 A 22 VAL HA A 25 HIS H 1.0 1.8 4.400 443 327 A 22 VAL H A 22 VAL HB 1.0 1.8 3.620 444 328 A 22 VAL H A 22 VAL HGy% 1.0 1.8 3.280 445 329 A 22 VAL H A 23 GLN HBy 1.0 1.8 5.030 446 329 A 22 VAL H A 23 GLN HBx 1.0 1.8 5.030 447 330 A 22 VAL HA A 24 GLU HGx 1.0 1.8 5.340 448 330 A 22 VAL HA A 24 GLU HGy 1.0 1.8 5.340 449 331 A 22 VAL HA A 25 HIS HBy 1.0 1.8 5.340 450 331 A 22 VAL HA A 25 HIS HBx 1.0 1.8 5.340 451 332 A 22 VAL HGy% A 23 GLN H 1.0 1.8 3.260 452 333 A 22 VAL HGy% A 23 GLN HA 1.0 1.8 3.670 453 334 A 22 VAL HGy% A 23 GLN HBy 1.0 1.8 4.210 454 334 A 22 VAL HGy% A 23 GLN HBx 1.0 1.8 4.210 455 335 A 22 VAL HGy% A 24 GLU H 1.0 1.8 4.660 456 336 A 22 VAL HGy% A 25 HIS H 1.0 1.8 4.840 457 337 A 23 GLN HA A 23 GLN HGx 1.0 1.8 4.240 458 338 A 23 GLN HA A 26 SER H 1.0 1.8 5.500 459 339 A 23 GLN HA A 23 GLN HGy 1.0 1.8 4.240 460 340 A 23 GLN H A 24 GLU HA 1.0 1.8 5.500 461 341 A 23 GLN H A 23 GLN HBx 1.0 1.8 3.470 462 342 A 23 GLN H A 24 GLU H 1.0 1.8 4.030 463 343 A 23 GLN HBx A 24 GLU H 1.0 1.8 4.150 464 344 A 23 GLN H A 25 HIS H 1.0 1.8 4.690 465 345 A 23 GLN H A 23 GLN HBy 1.0 1.8 3.470 466 346 A 24 GLU H A 23 GLN HBy 1.0 1.8 4.150 467 347 A 25 HIS H A 23 GLN HA 1.0 1.8 4.230 468 348 A 23 GLN H A 23 GLN HBy 1.0 1.8 2.950 469 348 A 23 GLN H A 23 GLN HBx 1.0 1.8 2.950 470 349 A 23 GLN H A 24 GLU HGx 1.0 1.8 4.990 471 349 A 23 GLN H A 24 GLU HGy 1.0 1.8 4.990 472 350 A 23 GLN HA A 23 GLN HGx 1.0 1.8 3.450 473 350 A 23 GLN HA A 23 GLN HGy 1.0 1.8 3.450 474 351 A 23 GLN HA A 23 GLN HE2x 1.0 1.8 4.070 475 351 A 23 GLN HA A 23 GLN HE2y 1.0 1.8 4.070 476 352 A 24 GLU H A 23 GLN HBy 1.0 1.8 3.410 477 352 A 23 GLN HBx A 24 GLU H 1.0 1.8 3.410 478 353 A 24 GLU HA A 23 GLN HBy 1.0 1.8 5.110 479 353 A 23 GLN HBx A 24 GLU HA 1.0 1.8 5.110 480 354 A 23 GLN HE2x A 23 GLN HGx 1.0 1.8 3.020 481 354 A 23 GLN HE2y A 23 GLN HGx 1.0 1.8 3.020 482 354 A 23 GLN HGy A 23 GLN HE2x 1.0 1.8 3.020 483 354 A 23 GLN HGy A 23 GLN HE2y 1.0 1.8 3.020 484 355 A 24 GLU H A 25 HIS H 1.0 1.8 3.870 485 356 A 24 GLU H A 24 GLU HGx 1.0 1.8 3.900 486 357 A 24 GLU H A 24 GLU HGy 1.0 1.8 3.900 487 358 A 24 GLU H A 24 GLU HBy 1.0 1.8 3.230 488 358 A 24 GLU H A 24 GLU HBx 1.0 1.8 3.230 489 359 A 24 GLU H A 24 GLU HGx 1.0 1.8 3.340 490 359 A 24 GLU H A 24 GLU HGy 1.0 1.8 3.340 491 360 A 24 GLU HA A 24 GLU HBy 1.0 1.8 2.590 492 360 A 24 GLU HBx A 24 GLU HA 1.0 1.8 2.590 493 361 A 24 GLU HA A 24 GLU HGx 1.0 1.8 3.730 494 361 A 24 GLU HGy A 24 GLU HA 1.0 1.8 3.730 495 362 A 25 HIS H A 24 GLU HBy 1.0 1.8 3.890 496 362 A 24 GLU HBx A 25 HIS H 1.0 1.8 3.890 497 363 A 25 HIS H A 24 GLU HGx 1.0 1.8 5.030 498 363 A 24 GLU HGy A 25 HIS H 1.0 1.8 5.030 499 364 A 26 SER H A 25 HIS HBy 1.0 1.8 4.480 500 365 A 25 HIS H A 25 HIS HBx 1.0 1.8 3.820 501 366 A 25 HIS H A 26 SER H 1.0 1.8 3.600 502 367 A 26 SER H A 25 HIS HA 1.0 1.8 3.490 503 368 A 25 HIS H A 25 HIS HBy 1.0 1.8 3.820 504 369 A 25 HIS HBx A 26 SER H 1.0 1.8 4.480 505 370 A 25 HIS H A 25 HIS HBy 1.0 1.8 3.320 506 370 A 25 HIS H A 25 HIS HBx 1.0 1.8 3.320 507 371 A 25 HIS HA A 25 HIS HBy 1.0 1.8 2.480 508 371 A 25 HIS HBx A 25 HIS HA 1.0 1.8 2.480 509 372 A 26 SER H A 27 SER H 1.0 1.8 4.160 510 373 A 27 SER H A 26 SER HBx 1.0 1.8 4.090 511 373 A 27 SER H A 26 SER HBy 1.0 1.8 4.090 512 374 A 26 SER H A 26 SER HBx 1.0 1.8 2.830 513 374 A 26 SER H A 26 SER HBy 1.0 1.8 2.830 514 375 A 27 SER HA A 27 SER HBx 1.0 1.8 2.400 515 375 A 27 SER HA A 27 SER HBy 1.0 1.8 2.400 516 376 A 27 SER H A 27 SER HBx 1.0 1.8 4.150 517 376 A 27 SER H A 27 SER HBy 1.0 1.8 4.150 518 377 A 29 GLN HA A 29 GLN HGx 1.0 1.8 3.760 519 377 A 29 GLN HA A 29 GLN HGy 1.0 1.8 3.760 520 378 A 30 GLY H A 29 GLN HGx 1.0 1.8 5.500 521 378 A 29 GLN HGy A 30 GLY H 1.0 1.8 5.500 522 379 A 29 GLN HE2y A 29 GLN HGx 1.0 1.8 2.400 523 379 A 29 GLN HGy A 29 GLN HE2y 1.0 1.8 2.400 524 380 A 29 GLN HBx A 29 GLN HGx 1.0 1.8 2.310 525 380 A 29 GLN HGy A 29 GLN HBx 1.0 1.8 2.310 526 380 A 29 GLN HGy A 29 GLN HBy 1.0 1.8 2.310 527 380 A 29 GLN HBy A 29 GLN HGx 1.0 1.8 2.310 528 381 A 31 MET H A 31 MET HGx 1.0 1.8 4.390 529 381 A 31 MET H A 31 MET HGy 1.0 1.8 4.390 530 382 A 34 ILE H A 33 ASN HBy 1.0 1.8 3.890 531 382 A 33 ASN HBx A 34 ILE H 1.0 1.8 3.890 532 383 A 34 ILE HG2% A 61 GLN HGx 1.0 1.8 3.590 533 383 A 34 ILE HG2% A 61 GLN HGy 1.0 1.8 3.590 534 384 A 34 ILE HG2% A 34 ILE HA 1.0 1.8 3.540 535 385 A 34 ILE HB A 34 ILE HD1% 1.0 1.8 3.700 536 386 A 34 ILE HD1% A 65 PHE HE% 1.0 1.8 3.960 537 387 A 34 ILE HD1% A 65 PHE HZ 1.0 1.8 4.260 538 388 A 34 ILE HB A 61 GLN HGx 1.0 1.8 4.050 539 388 A 61 GLN HGy A 34 ILE HB 1.0 1.8 4.050 540 389 A 34 ILE HG2% A 35 LYS H 1.0 1.8 4.020 541 390 A 34 ILE HD1% A 65 PHE HD% 1.0 1.8 5.190 542 391 A 34 ILE H A 61 GLN HGx 1.0 1.8 5.210 543 391 A 34 ILE H A 61 GLN HGy 1.0 1.8 5.210 544 392 A 34 ILE H A 34 ILE HG1y 1.0 1.8 4.480 545 392 A 34 ILE H A 34 ILE HG1x 1.0 1.8 4.480 546 393 A 34 ILE HA A 34 ILE HG1y 1.0 1.8 3.100 547 393 A 34 ILE HA A 34 ILE HG1x 1.0 1.8 3.100 548 394 A 34 ILE HG1y A 61 GLN HBy 1.0 1.8 4.710 549 394 A 34 ILE HG1x A 61 GLN HBy 1.0 1.8 4.710 550 394 A 61 GLN HBx A 34 ILE HG1y 1.0 1.8 4.710 551 394 A 34 ILE HG1x A 61 GLN HBx 1.0 1.8 4.710 552 395 A 35 LYS H A 35 LYS HEx 1.0 1.8 5.500 553 395 A 35 LYS H A 35 LYS HEy 1.0 1.8 5.500 554 396 A 35 LYS H A 35 LYS HBx 1.0 1.8 3.510 555 396 A 35 LYS H A 35 LYS HBy 1.0 1.8 3.510 556 397 A 35 LYS H A 35 LYS HGx 1.0 1.8 5.500 557 397 A 35 LYS H A 35 LYS HGy 1.0 1.8 5.500 558 398 A 36 HIS HD2 A 36 HIS HBx 1.0 1.8 3.100 559 398 A 36 HIS HBy A 36 HIS HD2 1.0 1.8 3.100 560 399 A 36 HIS HA A 37 VAL HA 1.0 1.8 4.820 561 400 A 37 VAL H A 36 HIS HBx 1.0 1.8 4.200 562 400 A 36 HIS HBy A 37 VAL H 1.0 1.8 4.200 563 401 A 36 HIS HA A 37 VAL H 1.0 1.8 3.430 564 402 A 37 VAL HA A 37 VAL HGx% 1.0 1.8 2.920 565 402 A 37 VAL HA A 37 VAL HGy% 1.0 1.8 2.920 566 403 A 37 VAL H A 37 VAL HGx% 1.0 1.8 3.620 567 403 A 37 VAL H A 37 VAL HGy% 1.0 1.8 3.620 568 404 A 37 VAL HB A 38 GLY H 1.0 1.8 4.510 569 405 A 37 VAL HA A 38 GLY H 1.0 1.8 3.330 570 406 A 37 VAL H A 38 GLY H 1.0 1.8 5.500 571 407 A 38 GLY H A 37 VAL HGx% 1.0 1.8 4.190 572 407 A 37 VAL HGy% A 38 GLY H 1.0 1.8 4.190 573 408 A 37 VAL H A 37 VAL HB 1.0 1.8 3.900 574 409 A 38 GLY H A 39 PRO HDy 1.0 1.8 4.460 575 409 A 38 GLY H A 39 PRO HDx 1.0 1.8 4.460 576 410 A 42 ARG H A 41 GLY HAx 1.0 1.8 3.470 577 410 A 41 GLY HAy A 42 ARG H 1.0 1.8 3.470 578 411 A 42 ARG HA A 42 ARG HDx 1.0 1.8 3.880 579 411 A 42 ARG HA A 42 ARG HDy 1.0 1.8 3.880 580 412 A 42 ARG H A 43 PHE HE% 1.0 1.8 5.500 581 413 A 42 ARG H A 42 ARG HDx 1.0 1.8 4.690 582 413 A 42 ARG H A 42 ARG HDy 1.0 1.8 4.690 583 414 A 42 ARG H A 43 PHE H 1.0 1.8 4.220 584 415 A 42 ARG H A 42 ARG HGx 1.0 1.8 3.430 585 415 A 42 ARG H A 42 ARG HGy 1.0 1.8 3.430 586 416 A 42 ARG HA A 42 ARG HGx 1.0 1.8 3.580 587 416 A 42 ARG HA A 42 ARG HGy 1.0 1.8 3.580 588 417 A 42 ARG HBy A 42 ARG HDx 1.0 1.8 3.580 589 417 A 42 ARG HBx A 42 ARG HDx 1.0 1.8 3.580 590 417 A 42 ARG HDy A 42 ARG HBy 1.0 1.8 3.580 591 417 A 42 ARG HDy A 42 ARG HBx 1.0 1.8 3.580 592 418 A 43 PHE HA A 47 MET HBx 1.0 1.8 4.050 593 418 A 43 PHE HA A 47 MET HBy 1.0 1.8 4.050 594 419 A 43 PHE HA A 44 THR HG2% 1.0 1.8 5.230 595 420 A 43 PHE HA A 43 PHE HD% 1.0 1.8 4.280 596 421 A 43 PHE HD% A 48 LEU HDy% 1.0 1.8 3.420 597 422 A 43 PHE HA A 48 LEU HDx% 1.0 1.8 5.340 598 423 A 43 PHE HA A 48 LEU HG 1.0 1.8 4.670 599 424 A 43 PHE HA A 48 LEU HDy% 1.0 1.8 5.370 600 425 A 48 LEU HDy% A 43 PHE HBx 1.0 1.8 4.650 601 426 A 48 LEU HDy% A 43 PHE HBy 1.0 1.8 4.650 602 427 A 43 PHE HA A 44 THR H 1.0 1.8 3.400 603 428 A 43 PHE H A 43 PHE HD% 1.0 1.8 4.390 604 429 A 43 PHE HD% A 44 THR H 1.0 1.8 5.500 605 430 A 44 THR H A 43 PHE HBy 1.0 1.8 4.820 606 431 A 44 THR H A 43 PHE HBx 1.0 1.8 4.820 607 432 A 43 PHE HA A 47 MET H 1.0 1.8 5.500 608 433 A 43 PHE H A 43 PHE HBy 1.0 1.8 3.620 609 433 A 43 PHE H A 43 PHE HBx 1.0 1.8 3.620 610 434 A 43 PHE HA A 105 VAL HGy% 1.0 1.8 5.500 611 435 A 43 PHE HBy A 47 MET HBx 1.0 1.8 5.340 612 435 A 43 PHE HBx A 47 MET HBx 1.0 1.8 5.340 613 435 A 47 MET HBy A 43 PHE HBy 1.0 1.8 5.340 614 435 A 47 MET HBy A 43 PHE HBx 1.0 1.8 5.340 615 436 A 48 LEU HDy% A 43 PHE HBy 1.0 1.8 4.080 616 436 A 48 LEU HDy% A 43 PHE HBx 1.0 1.8 4.080 617 437 A 44 THR HG2% A 104 TYR HA 1.0 1.8 4.570 618 438 A 44 THR HG2% A 102 ILE HG2% 1.0 1.8 3.530 619 439 A 102 ILE HG2% A 44 THR HB 1.0 1.8 5.310 620 440 A 44 THR HG2% A 44 THR HA 1.0 1.8 3.960 621 441 A 44 THR HB A 44 THR HA 1.0 1.8 2.620 622 442 A 44 THR HG2% A 47 MET HBx 1.0 1.8 4.320 623 442 A 47 MET HBy A 44 THR HG2% 1.0 1.8 4.320 624 443 A 44 THR HG2% A 102 ILE HD1% 1.0 1.8 4.600 625 444 A 44 THR HA A 105 VAL HB 1.0 1.8 4.010 626 445 A 44 THR HA A 105 VAL H 1.0 1.8 4.750 627 446 A 44 THR HG2% A 104 TYR HBx 1.0 1.8 3.400 628 446 A 44 THR HG2% A 104 TYR HBy 1.0 1.8 3.400 629 447 A 44 THR HG2% A 104 TYR H 1.0 1.8 5.500 630 448 A 44 THR HG2% A 105 VAL H 1.0 1.8 5.500 631 449 A 44 THR HB A 45 MET H 1.0 1.8 3.410 632 450 A 44 THR HG2% A 47 MET H 1.0 1.8 5.120 633 451 A 44 THR H A 47 MET HBx 1.0 1.8 3.500 634 451 A 47 MET HBy A 44 THR H 1.0 1.8 3.500 635 452 A 44 THR H A 47 MET H 1.0 1.8 4.180 636 453 A 44 THR HG2% A 45 MET H 1.0 1.8 4.080 637 454 A 44 THR HG2% A 46 ASN H 1.0 1.8 4.780 638 455 A 44 THR H A 104 TYR HBx 1.0 1.8 5.370 639 455 A 44 THR H A 104 TYR HBy 1.0 1.8 5.370 640 456 A 44 THR HG2% A 44 THR H 1.0 1.8 3.700 641 457 A 48 LEU HG A 44 THR H 1.0 1.8 5.500 642 458 A 44 THR H A 104 TYR HD% 1.0 1.8 5.500 643 459 A 44 THR HG2% A 104 TYR HD% 1.0 1.8 3.980 644 460 A 44 THR HG2% A 104 TYR HE% 1.0 1.8 4.730 645 461 A 105 VAL HGy% A 44 THR HA 1.0 1.8 4.350 646 462 A 47 MET H A 44 THR HA 1.0 1.8 5.500 647 463 A 105 VAL HB A 45 MET HA 1.0 1.8 3.960 648 464 A 48 LEU HDx% A 45 MET HA 1.0 1.8 4.110 649 465 A 45 MET HA A 48 LEU HBy 1.0 1.8 4.800 650 466 A 48 LEU HDy% A 45 MET HA 1.0 1.8 5.400 651 467 A 46 ASN HD2y A 45 MET HGx 1.0 1.8 5.500 652 467 A 45 MET HGy A 46 ASN HD2y 1.0 1.8 5.500 653 468 A 46 ASN HA A 45 MET HGx 1.0 1.8 4.250 654 468 A 45 MET HGy A 46 ASN HA 1.0 1.8 4.250 655 469 A 80 PHE HBx A 45 MET HBx 1.0 1.8 4.470 656 469 A 45 MET HBy A 80 PHE HBx 1.0 1.8 4.470 657 470 A 45 MET HA A 48 LEU H 1.0 1.8 4.990 658 471 A 45 MET HA A 49 VAL H 1.0 1.8 5.500 659 472 A 48 LEU HG A 45 MET HA 1.0 1.8 5.200 660 473 A 48 LEU HDx% A 45 MET HBx 1.0 1.8 4.050 661 473 A 48 LEU HDx% A 45 MET HBy 1.0 1.8 4.050 662 474 A 48 LEU H A 45 MET HGx 1.0 1.8 5.500 663 474 A 45 MET HGy A 48 LEU H 1.0 1.8 5.500 664 475 A 47 MET H A 45 MET HA 1.0 1.8 4.980 665 476 A 45 MET H A 46 ASN H 1.0 1.8 4.220 666 477 A 46 ASN H A 45 MET HGx 1.0 1.8 3.340 667 477 A 46 ASN H A 45 MET HGy 1.0 1.8 3.340 668 478 A 105 VAL HB A 45 MET H 1.0 1.8 4.060 669 479 A 45 MET H A 46 ASN HA 1.0 1.8 5.500 670 480 A 45 MET H A 48 LEU HBy 1.0 1.8 5.500 671 481 A 48 LEU HDx% A 45 MET H 1.0 1.8 5.500 672 482 A 46 ASN HD2x A 45 MET HGx 1.0 1.8 5.500 673 482 A 45 MET HGy A 46 ASN HD2x 1.0 1.8 5.500 674 483 A 80 PHE HE% A 45 MET HA 1.0 1.8 5.500 675 484 A 80 PHE HD% A 45 MET HBx 1.0 1.8 4.150 676 484 A 45 MET HBy A 80 PHE HD% 1.0 1.8 4.150 677 485 A 105 VAL HGy% A 45 MET H 1.0 1.8 4.030 678 486 A 45 MET HA A 49 VAL HGy% 1.0 1.8 5.440 679 487 A 105 VAL HGy% A 45 MET HA 1.0 1.8 3.030 680 488 A 49 VAL HGy% A 45 MET HBx 1.0 1.8 4.800 681 488 A 45 MET HBy A 49 VAL HGy% 1.0 1.8 4.800 682 489 A 46 ASN HA A 49 VAL HB 1.0 1.8 4.460 683 490 A 47 MET H A 46 ASN H 1.0 1.8 4.130 684 491 A 48 LEU HG A 46 ASN H 1.0 1.8 5.500 685 492 A 46 ASN H A 46 ASN HBy 1.0 1.8 3.650 686 493 A 46 ASN H A 46 ASN HBx 1.0 1.8 3.650 687 494 A 46 ASN HA A 49 VAL H 1.0 1.8 3.620 688 495 A 46 ASN H A 49 VAL HGy% 1.0 1.8 5.440 689 496 A 105 VAL HGy% A 46 ASN H 1.0 1.8 5.440 690 497 A 46 ASN HA A 49 VAL HGy% 1.0 1.8 4.360 691 498 A 47 MET H A 46 ASN HBx 1.0 1.8 3.700 692 498 A 47 MET H A 46 ASN HBy 1.0 1.8 3.700 693 499 A 49 VAL HGy% A 46 ASN HBx 1.0 1.8 5.280 694 499 A 49 VAL HGy% A 46 ASN HBy 1.0 1.8 5.280 695 500 A 47 MET HE% A 47 MET HBx 1.0 1.8 4.010 696 500 A 47 MET HBy A 47 MET HE% 1.0 1.8 4.010 697 501 A 48 LEU HDy% A 47 MET H 1.0 1.8 4.830 698 502 A 47 MET H A 47 MET HE% 1.0 1.8 4.800 699 503 A 47 MET H A 47 MET HBx 1.0 1.8 3.410 700 503 A 47 MET HBy A 47 MET H 1.0 1.8 3.410 701 504 A 48 LEU H A 47 MET HBx 1.0 1.8 4.390 702 504 A 47 MET HBy A 48 LEU H 1.0 1.8 4.390 703 505 A 48 LEU HG A 47 MET H 1.0 1.8 4.700 704 506 A 47 MET HA A 50 ASP H 1.0 1.8 5.500 705 507 A 48 LEU HG A 105 VAL HB 1.0 1.8 4.170 706 508 A 48 LEU HG A 105 VAL HGx% 1.0 1.8 5.020 707 509 A 48 LEU HG A 105 VAL HGy% 1.0 1.8 5.020 708 510 A 48 LEU HDy% A 48 LEU HBy 1.0 1.8 4.040 709 511 A 48 LEU HA A 51 ILE HD1% 1.0 1.8 4.110 710 512 A 48 LEU HDx% A 48 LEU HBy 1.0 1.8 2.640 711 513 A 48 LEU HDy% A 48 LEU HA 1.0 1.8 2.850 712 514 A 48 LEU HDy% A 48 LEU HBx 1.0 1.8 4.030 713 515 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 3.940 714 516 A 48 LEU HDy% A 48 LEU H 1.0 1.8 3.130 715 517 A 49 VAL H A 48 LEU HBx 1.0 1.8 4.780 716 518 A 48 LEU HA A 51 ILE HB 1.0 1.8 3.960 717 519 A 48 LEU HDx% A 48 LEU HA 1.0 1.8 4.030 718 520 A 48 LEU HG A 48 LEU H 1.0 1.8 3.610 719 521 A 48 LEU H A 48 LEU HBx 1.0 1.8 3.760 720 522 A 48 LEU H A 49 VAL HB 1.0 1.8 5.500 721 523 A 48 LEU HBy A 49 VAL H 1.0 1.8 4.230 722 524 A 48 LEU HBy A 50 ASP H 1.0 1.8 5.270 723 525 A 48 LEU HBy A 48 LEU H 1.0 1.8 3.580 724 526 A 48 LEU HDx% A 48 LEU H 1.0 1.8 3.900 725 527 A 48 LEU HG A 49 VAL H 1.0 1.8 4.420 726 528 A 48 LEU H A 49 VAL H 1.0 1.8 3.640 727 529 A 80 PHE HE% A 48 LEU HDx% 1.0 1.8 3.770 728 530 A 80 PHE HZ A 48 LEU HBx 1.0 1.8 4.280 729 531 A 80 PHE HZ A 48 LEU HBy 1.0 1.8 4.660 730 532 A 48 LEU HBy A 49 VAL HGy% 1.0 1.8 4.600 731 533 A 48 LEU HG A 105 VAL HGy% 1.0 1.8 3.770 732 534 A 48 LEU HDx% A 105 VAL HGy% 1.0 1.8 3.380 733 535 A 48 LEU HA A 51 ILE H 1.0 1.8 5.500 734 536 A 48 LEU HA A 52 PHE H 1.0 1.8 5.500 735 537 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 3.910 736 538 A 49 VAL HGy% A 76 ALA HB% 1.0 1.8 3.520 737 539 A 49 VAL HA A 76 ALA HB% 1.0 1.8 4.590 738 540 A 49 VAL HGy% A 77 GLU HGx 1.0 1.8 4.360 739 540 A 49 VAL HGy% A 77 GLU HGy 1.0 1.8 4.360 740 541 A 52 PHE H A 49 VAL HA 1.0 1.8 4.810 741 542 A 49 VAL HA A 53 LEU H 1.0 1.8 5.500 742 543 A 49 VAL HGx% A 77 GLU HGx 1.0 1.8 4.360 743 543 A 77 GLU HGy A 49 VAL HGx% 1.0 1.8 4.360 744 544 A 76 ALA HB% A 49 VAL HGx% 1.0 1.8 3.520 745 545 A 49 VAL HA A 49 VAL HGx% 1.0 1.8 3.910 746 546 A 49 VAL H A 49 VAL HGy% 1.0 1.8 3.190 747 547 A 50 ASP H A 49 VAL HGx% 1.0 1.8 4.390 748 548 A 49 VAL HGx% A 77 GLU H 1.0 1.8 5.080 749 549 A 49 VAL H A 49 VAL HGx% 1.0 1.8 3.190 750 550 A 49 VAL H A 49 VAL HB 1.0 1.8 3.660 751 551 A 49 VAL H A 50 ASP H 1.0 1.8 3.770 752 552 A 49 VAL HB A 50 ASP H 1.0 1.8 4.000 753 553 A 49 VAL HGy% A 50 ASP H 1.0 1.8 4.390 754 554 A 49 VAL HB A 52 PHE H 1.0 1.8 5.500 755 555 A 51 ILE H A 49 VAL HA 1.0 1.8 4.730 756 556 A 49 VAL HGy% A 77 GLU H 1.0 1.8 5.080 757 557 A 80 PHE HZ A 49 VAL HA 1.0 1.8 5.430 758 558 A 80 PHE HE% A 49 VAL HA 1.0 1.8 4.400 759 559 A 49 VAL H A 49 VAL HGy% 1.0 1.8 2.580 760 560 A 49 VAL H A 50 ASP HBy 1.0 1.8 4.770 761 560 A 49 VAL H A 50 ASP HBx 1.0 1.8 4.770 762 561 A 49 VAL HGy% A 50 ASP H 1.0 1.8 3.550 763 562 A 49 VAL HGy% A 76 ALA H 1.0 1.8 5.440 764 563 A 49 VAL HGy% A 76 ALA HA 1.0 1.8 4.750 765 564 A 49 VAL HGy% A 76 ALA HB% 1.0 1.8 2.580 766 565 A 49 VAL HGy% A 77 GLU H 1.0 1.8 4.220 767 566 A 49 VAL HGy% A 77 GLU HA 1.0 1.8 3.940 768 567 A 49 VAL HGy% A 77 GLU HGx 1.0 1.8 3.780 769 567 A 49 VAL HGy% A 77 GLU HGy 1.0 1.8 3.780 770 568 A 49 VAL HGy% A 78 ARG H 1.0 1.8 5.440 771 569 A 49 VAL HGy% A 80 PHE HBy 1.0 1.8 4.790 772 570 A 80 PHE HZ A 49 VAL HGy% 1.0 1.8 4.150 773 571 A 80 PHE HE% A 49 VAL HGy% 1.0 1.8 3.510 774 572 A 80 PHE HD% A 49 VAL HGy% 1.0 1.8 3.350 775 573 A 51 ILE H A 50 ASP HBx 1.0 1.8 4.930 776 574 A 51 ILE H A 50 ASP HBy 1.0 1.8 4.930 777 575 A 50 ASP H A 50 ASP HA 1.0 1.8 2.890 778 576 A 52 PHE H A 50 ASP HA 1.0 1.8 5.500 779 577 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.620 780 578 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.620 781 579 A 50 ASP HBx A 58 ALA H 1.0 1.8 5.480 782 580 A 50 ASP H A 51 ILE HB 1.0 1.8 5.430 783 581 A 50 ASP H A 58 ALA HB% 1.0 1.8 5.500 784 582 A 53 LEU H A 50 ASP HA 1.0 1.8 4.430 785 583 A 58 ALA H A 50 ASP HBy 1.0 1.8 5.480 786 584 A 50 ASP H A 50 ASP HBy 1.0 1.8 3.160 787 584 A 50 ASP H A 50 ASP HBx 1.0 1.8 3.160 788 585 A 50 ASP H A 55 SER HBx 1.0 1.8 4.970 789 585 A 50 ASP H A 55 SER HBy 1.0 1.8 4.970 790 586 A 50 ASP HA A 53 LEU HDx% 1.0 1.8 5.440 791 587 A 50 ASP HA A 55 SER HBx 1.0 1.8 2.760 792 587 A 50 ASP HA A 55 SER HBy 1.0 1.8 2.760 793 588 A 51 ILE HD1% A 50 ASP HBy 1.0 1.8 4.630 794 588 A 51 ILE HD1% A 50 ASP HBx 1.0 1.8 4.630 795 589 A 50 ASP HBx A 55 SER HBx 1.0 1.8 3.700 796 589 A 50 ASP HBy A 55 SER HBx 1.0 1.8 3.700 797 589 A 55 SER HBy A 50 ASP HBy 1.0 1.8 3.700 798 589 A 50 ASP HBx A 55 SER HBy 1.0 1.8 3.700 799 590 A 58 ALA H A 50 ASP HBy 1.0 1.8 4.670 800 590 A 50 ASP HBx A 58 ALA H 1.0 1.8 4.670 801 591 A 58 ALA HB% A 50 ASP HBy 1.0 1.8 4.390 802 591 A 50 ASP HBx A 58 ALA HB% 1.0 1.8 4.390 803 592 A 65 PHE HD% A 51 ILE HA 1.0 1.8 4.320 804 593 A 65 PHE HE% A 51 ILE HD1% 1.0 1.8 3.900 805 594 A 51 ILE HD1% A 60 ILE HG2% 1.0 1.8 4.120 806 595 A 51 ILE HB A 52 PHE H 1.0 1.8 3.170 807 596 A 51 ILE HD1% A 51 ILE HB 1.0 1.8 2.850 808 597 A 58 ALA HB% A 51 ILE HG2% 1.0 1.8 3.830 809 598 A 65 PHE HE% A 51 ILE HG2% 1.0 1.8 3.340 810 599 A 51 ILE H A 51 ILE HG2% 1.0 1.8 4.240 811 600 A 51 ILE HG2% A 66 GLY H 1.0 1.8 4.830 812 601 A 51 ILE HG2% A 65 PHE HA 1.0 1.8 3.840 813 602 A 51 ILE HA A 51 ILE HG2% 1.0 1.8 2.730 814 603 A 51 ILE HG2% A 65 PHE HBy 1.0 1.8 4.770 815 604 A 65 PHE HD% A 51 ILE HD1% 1.0 1.8 4.850 816 605 A 51 ILE HG2% A 51 ILE HG1y 1.0 1.8 4.000 817 606 A 51 ILE HG2% A 51 ILE HG1x 1.0 1.8 4.000 818 607 A 65 PHE HZ A 51 ILE HG2% 1.0 1.8 5.500 819 608 A 51 ILE HD1% A 60 ILE HB 1.0 1.8 5.500 820 609 A 58 ALA HB% A 51 ILE HA 1.0 1.8 3.580 821 610 A 51 ILE HG2% A 52 PHE HA 1.0 1.8 5.500 822 611 A 51 ILE HG2% A 58 ALA HA 1.0 1.8 5.500 823 612 A 52 PHE H A 51 ILE HG2% 1.0 1.8 3.640 824 613 A 51 ILE H A 52 PHE H 1.0 1.8 3.960 825 614 A 51 ILE H A 54 GLY H 1.0 1.8 5.500 826 615 A 51 ILE HG2% A 54 GLY H 1.0 1.8 4.720 827 616 A 51 ILE HA A 60 ILE H 1.0 1.8 5.500 828 617 A 51 ILE HD1% A 60 ILE H 1.0 1.8 3.590 829 618 A 51 ILE HD1% A 51 ILE H 1.0 1.8 3.820 830 619 A 52 PHE H A 51 ILE HG1x 1.0 1.8 5.500 831 620 A 52 PHE H A 51 ILE HG1y 1.0 1.8 5.500 832 621 A 60 ILE H A 51 ILE HG1y 1.0 1.8 4.130 833 622 A 60 ILE H A 51 ILE HG1x 1.0 1.8 4.130 834 623 A 51 ILE HG2% A 65 PHE H 1.0 1.8 4.480 835 624 A 51 ILE H A 52 PHE HBx 1.0 1.8 5.090 836 624 A 51 ILE H A 52 PHE HBy 1.0 1.8 5.090 837 625 A 51 ILE HB A 51 ILE H 1.0 1.8 3.530 838 626 A 51 ILE H A 55 SER H 1.0 1.8 5.450 839 627 A 65 PHE HD% A 51 ILE HG2% 1.0 1.8 3.800 840 628 A 51 ILE H A 51 ILE HG1x 1.0 1.8 3.800 841 628 A 51 ILE H A 51 ILE HG1y 1.0 1.8 3.800 842 629 A 51 ILE H A 55 SER HBx 1.0 1.8 5.340 843 629 A 51 ILE H A 55 SER HBy 1.0 1.8 5.340 844 630 A 51 ILE HA A 51 ILE HG1x 1.0 1.8 3.450 845 630 A 51 ILE HA A 51 ILE HG1y 1.0 1.8 3.450 846 631 A 51 ILE HG2% A 51 ILE HG1x 1.0 1.8 3.150 847 631 A 51 ILE HG2% A 51 ILE HG1y 1.0 1.8 3.150 848 632 A 52 PHE H A 51 ILE HG1x 1.0 1.8 4.720 849 632 A 52 PHE H A 51 ILE HG1y 1.0 1.8 4.720 850 633 A 58 ALA H A 51 ILE HG1x 1.0 1.8 5.180 851 633 A 58 ALA H A 51 ILE HG1y 1.0 1.8 5.180 852 634 A 58 ALA HB% A 51 ILE HG1x 1.0 1.8 4.050 853 634 A 58 ALA HB% A 51 ILE HG1y 1.0 1.8 4.050 854 635 A 60 ILE H A 51 ILE HG1x 1.0 1.8 3.540 855 635 A 60 ILE H A 51 ILE HG1y 1.0 1.8 3.540 856 636 A 60 ILE HD1% A 51 ILE HG1x 1.0 1.8 5.110 857 636 A 51 ILE HG1y A 60 ILE HD1% 1.0 1.8 5.110 858 637 A 52 PHE HD% A 52 PHE HA 1.0 1.8 4.000 859 638 A 52 PHE HD% A 64 ILE HD1% 1.0 1.8 4.090 860 639 A 52 PHE HE% A 64 ILE HD1% 1.0 1.8 4.180 861 640 A 64 ILE HD1% A 52 PHE H 1.0 1.8 5.380 862 641 A 64 ILE HD1% A 52 PHE HBx 1.0 1.8 4.300 863 641 A 64 ILE HD1% A 52 PHE HBy 1.0 1.8 4.300 864 642 A 52 PHE HD% A 64 ILE HG2% 1.0 1.8 4.350 865 643 A 52 PHE HD% A 76 ALA HB% 1.0 1.8 4.290 866 644 A 76 ALA HB% A 52 PHE HBx 1.0 1.8 4.840 867 644 A 76 ALA HB% A 52 PHE HBy 1.0 1.8 4.840 868 645 A 52 PHE HD% A 53 LEU HDy% 1.0 1.8 5.430 869 646 A 52 PHE HE% A 76 ALA HB% 1.0 1.8 4.960 870 647 A 52 PHE HD% A 64 ILE HB 1.0 1.8 5.500 871 648 A 64 ILE HD1% A 52 PHE HA 1.0 1.8 4.150 872 649 A 52 PHE HA A 68 GLY H 1.0 1.8 5.150 873 650 A 52 PHE H A 53 LEU H 1.0 1.8 4.230 874 651 A 66 GLY H A 52 PHE HA 1.0 1.8 5.100 875 652 A 52 PHE HD% A 53 LEU H 1.0 1.8 4.470 876 653 A 52 PHE HD% A 52 PHE H 1.0 1.8 4.370 877 654 A 53 LEU H A 52 PHE HBx 1.0 1.8 3.730 878 654 A 53 LEU H A 52 PHE HBy 1.0 1.8 3.730 879 655 A 52 PHE HA A 54 GLY H 1.0 1.8 4.370 880 656 A 52 PHE HE% A 68 GLY H 1.0 1.8 5.430 881 657 A 52 PHE H A 52 PHE HBx 1.0 1.8 3.450 882 657 A 52 PHE H A 52 PHE HBy 1.0 1.8 3.450 883 658 A 80 PHE HZ A 52 PHE HBx 1.0 1.8 5.500 884 658 A 80 PHE HZ A 52 PHE HBy 1.0 1.8 5.500 885 659 A 52 PHE HD% A 67 LYS HBx 1.0 1.8 5.180 886 659 A 52 PHE HD% A 67 LYS HBy 1.0 1.8 5.180 887 660 A 52 PHE HD% A 53 LEU HDx% 1.0 1.8 5.430 888 661 A 80 PHE HE% A 52 PHE HBx 1.0 1.8 4.840 889 661 A 80 PHE HE% A 52 PHE HBy 1.0 1.8 4.840 890 662 A 53 LEU HDx% A 52 PHE HA 1.0 1.8 5.440 891 663 A 53 LEU HDx% A 52 PHE HBx 1.0 1.8 2.860 892 663 A 53 LEU HDx% A 52 PHE HBy 1.0 1.8 2.860 893 664 A 52 PHE HD% A 53 LEU HDx% 1.0 1.8 4.640 894 665 A 52 PHE HD% A 67 LYS HGy 1.0 1.8 5.340 895 665 A 52 PHE HD% A 67 LYS HGx 1.0 1.8 5.340 896 666 A 79 LEU HDx% A 52 PHE HD% 1.0 1.8 5.440 897 667 A 52 PHE HE% A 53 LEU HDx% 1.0 1.8 5.310 898 668 A 79 LEU HDx% A 52 PHE HE% 1.0 1.8 5.420 899 669 A 53 LEU HA A 69 SER HA 1.0 1.8 4.310 900 670 A 53 LEU HDy% A 53 LEU HA 1.0 1.8 3.780 901 671 A 76 ALA HB% A 53 LEU HDy% 1.0 1.8 3.710 902 672 A 53 LEU HDx% A 53 LEU HA 1.0 1.8 3.780 903 673 A 53 LEU HDy% A 71 TYR HBy 1.0 1.8 4.820 904 674 A 53 LEU HDx% A 71 TYR HBx 1.0 1.8 4.820 905 675 A 53 LEU HDx% A 71 TYR HBy 1.0 1.8 4.820 906 676 A 53 LEU HDy% A 71 TYR HBx 1.0 1.8 4.820 907 677 A 76 ALA HB% A 53 LEU HDx% 1.0 1.8 3.710 908 678 A 76 ALA H A 53 LEU HDy% 1.0 1.8 5.500 909 679 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.720 910 680 A 54 GLY H A 53 LEU HDy% 1.0 1.8 5.500 911 681 A 53 LEU HA A 71 TYR H 1.0 1.8 5.360 912 682 A 53 LEU H A 54 GLY H 1.0 1.8 3.950 913 683 A 53 LEU HDx% A 54 GLY H 1.0 1.8 5.500 914 684 A 54 GLY H A 53 LEU HBy 1.0 1.8 4.610 915 685 A 53 LEU HDx% A 74 HIS H 1.0 1.8 5.500 916 686 A 53 LEU HDy% A 74 HIS H 1.0 1.8 5.500 917 687 A 53 LEU H A 53 LEU HBy 1.0 1.8 3.720 918 688 A 54 GLY H A 53 LEU HBx 1.0 1.8 4.610 919 689 A 53 LEU H A 55 SER H 1.0 1.8 4.530 920 690 A 53 LEU HDx% A 55 SER H 1.0 1.8 5.500 921 691 A 55 SER H A 53 LEU HDy% 1.0 1.8 5.500 922 692 A 76 ALA H A 53 LEU HDx% 1.0 1.8 5.500 923 693 A 55 SER H A 53 LEU HA 1.0 1.8 5.500 924 694 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.050 925 694 A 53 LEU H A 53 LEU HBy 1.0 1.8 3.050 926 695 A 53 LEU H A 53 LEU HDx% 1.0 1.8 2.870 927 696 A 53 LEU H A 55 SER HBx 1.0 1.8 4.700 928 696 A 53 LEU H A 55 SER HBy 1.0 1.8 4.700 929 697 A 53 LEU HDx% A 53 LEU HA 1.0 1.8 3.230 930 698 A 54 GLY H A 53 LEU HBx 1.0 1.8 3.770 931 698 A 54 GLY H A 53 LEU HBy 1.0 1.8 3.770 932 699 A 55 SER H A 53 LEU HBx 1.0 1.8 3.560 933 699 A 55 SER H A 53 LEU HBy 1.0 1.8 3.560 934 700 A 69 SER HA A 53 LEU HBx 1.0 1.8 4.810 935 700 A 69 SER HA A 53 LEU HBy 1.0 1.8 4.810 936 701 A 53 LEU HDx% A 54 GLY H 1.0 1.8 4.700 937 702 A 53 LEU HDx% A 68 GLY H 1.0 1.8 5.440 938 703 A 53 LEU HDx% A 69 SER HA 1.0 1.8 3.450 939 704 A 53 LEU HDx% A 70 ALA HA 1.0 1.8 5.440 940 705 A 53 LEU HDx% A 71 TYR H 1.0 1.8 3.920 941 706 A 53 LEU HDx% A 71 TYR HA 1.0 1.8 4.790 942 707 A 53 LEU HDy% A 71 TYR HBx 1.0 1.8 3.170 943 707 A 53 LEU HDy% A 71 TYR HBy 1.0 1.8 3.170 944 708 A 53 LEU HDx% A 71 TYR HD% 1.0 1.8 5.440 945 709 A 53 LEU HDx% A 72 SER H 1.0 1.8 4.900 946 710 A 53 LEU HDx% A 72 SER HA 1.0 1.8 4.410 947 711 A 76 ALA H A 53 LEU HDx% 1.0 1.8 4.040 948 712 A 76 ALA HA A 53 LEU HDx% 1.0 1.8 5.170 949 713 A 76 ALA HB% A 53 LEU HDx% 1.0 1.8 2.680 950 714 A 80 PHE HE% A 53 LEU HDx% 1.0 1.8 5.440 951 715 A 54 GLY H A 55 SER H 1.0 1.8 3.500 952 716 A 66 GLY H A 54 GLY HAy 1.0 1.8 4.330 953 717 A 66 GLY H A 54 GLY HAx 1.0 1.8 4.330 954 718 A 66 GLY H A 54 GLY H 1.0 1.8 4.420 955 719 A 54 GLY H A 55 SER HBx 1.0 1.8 4.260 956 719 A 55 SER HBy A 54 GLY H 1.0 1.8 4.260 957 720 A 54 GLY H A 66 GLY HAy 1.0 1.8 5.340 958 720 A 54 GLY H A 66 GLY HAx 1.0 1.8 5.340 959 721 A 66 GLY H A 54 GLY HAx 1.0 1.8 3.790 960 721 A 66 GLY H A 54 GLY HAy 1.0 1.8 3.790 961 722 A 58 ALA HB% A 55 SER HBx 1.0 1.8 4.580 962 723 A 58 ALA HB% A 55 SER H 1.0 1.8 5.410 963 724 A 58 ALA HB% A 55 SER HBy 1.0 1.8 4.580 964 725 A 58 ALA H A 55 SER H 1.0 1.8 5.500 965 726 A 55 SER H A 55 SER HBx 1.0 1.8 3.090 966 726 A 55 SER HBy A 55 SER H 1.0 1.8 3.090 967 727 A 58 ALA H A 55 SER HBx 1.0 1.8 3.550 968 727 A 58 ALA H A 55 SER HBy 1.0 1.8 3.550 969 728 A 58 ALA HB% A 55 SER HBx 1.0 1.8 3.810 970 728 A 58 ALA HB% A 55 SER HBy 1.0 1.8 3.810 971 729 A 65 PHE HD% A 58 ALA HB% 1.0 1.8 3.910 972 730 A 58 ALA HB% A 59 LYS H 1.0 1.8 4.920 973 731 A 58 ALA HB% A 59 LYS HA 1.0 1.8 4.440 974 732 A 58 ALA HB% A 65 PHE HBy 1.0 1.8 5.500 975 733 A 58 ALA H A 59 LYS H 1.0 1.8 4.780 976 734 A 58 ALA H A 60 ILE H 1.0 1.8 5.500 977 735 A 58 ALA HB% A 61 GLN HE2x 1.0 1.8 4.510 978 736 A 58 ALA H A 61 GLN HE2y 1.0 1.8 5.500 979 737 A 58 ALA H A 58 ALA HB% 1.0 1.8 3.230 980 738 A 58 ALA HB% A 61 GLN HE2y 1.0 1.8 4.510 981 739 A 58 ALA H A 61 GLN HE2x 1.0 1.8 5.500 982 740 A 58 ALA HB% A 60 ILE H 1.0 1.8 3.190 983 741 A 58 ALA H A 61 GLN HE2x 1.0 1.8 4.770 984 741 A 58 ALA H A 61 GLN HE2y 1.0 1.8 4.770 985 742 A 58 ALA HB% A 61 GLN HE2y 1.0 1.8 3.780 986 742 A 58 ALA HB% A 61 GLN HE2x 1.0 1.8 3.780 987 743 A 60 ILE H A 59 LYS H 1.0 1.8 4.130 988 744 A 59 LYS H A 59 LYS HBy 1.0 1.8 3.410 989 744 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.410 990 745 A 60 ILE HB A 60 ILE HD1% 1.0 1.8 4.000 991 746 A 60 ILE HG2% A 60 ILE HA 1.0 1.8 3.820 992 747 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.8 3.820 993 748 A 60 ILE HG2% A 60 ILE HG1x 1.0 1.8 3.820 994 749 A 60 ILE HG2% A 60 ILE HD1% 1.0 1.8 3.370 995 750 A 60 ILE HD1% A 60 ILE HA 1.0 1.8 3.820 996 751 A 60 ILE HG2% A 61 GLN H 1.0 1.8 4.780 997 752 A 60 ILE HG2% A 62 SER HBx 1.0 1.8 5.160 998 752 A 60 ILE HG2% A 62 SER HBy 1.0 1.8 5.160 999 753 A 60 ILE HG2% A 65 PHE HBy 1.0 1.8 5.500 1000 754 A 60 ILE HG2% A 61 GLN HA 1.0 1.8 4.770 1001 755 A 60 ILE H A 60 ILE HG1x 1.0 1.8 4.610 1002 756 A 60 ILE HG2% A 60 ILE H 1.0 1.8 4.090 1003 757 A 60 ILE HB A 60 ILE H 1.0 1.8 3.230 1004 758 A 60 ILE H A 60 ILE HG1y 1.0 1.8 4.610 1005 759 A 60 ILE H A 61 GLN H 1.0 1.8 5.500 1006 760 A 60 ILE HG2% A 62 SER H 1.0 1.8 3.540 1007 761 A 60 ILE HD1% A 62 SER H 1.0 1.8 5.500 1008 762 A 60 ILE H A 60 ILE HG1x 1.0 1.8 3.980 1009 762 A 60 ILE H A 60 ILE HG1y 1.0 1.8 3.980 1010 763 A 60 ILE HA A 60 ILE HG1x 1.0 1.8 3.490 1011 763 A 60 ILE HA A 60 ILE HG1y 1.0 1.8 3.490 1012 764 A 61 GLN HE2y A 60 ILE HA 1.0 1.8 4.160 1013 764 A 61 GLN HE2x A 60 ILE HA 1.0 1.8 4.160 1014 765 A 60 ILE HG2% A 60 ILE HG1x 1.0 1.8 3.070 1015 765 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.8 3.070 1016 766 A 61 GLN HA A 61 GLN HGx 1.0 1.8 3.400 1017 766 A 61 GLN HGy A 61 GLN HA 1.0 1.8 3.400 1018 767 A 65 PHE HBy A 61 GLN HA 1.0 1.8 4.120 1019 768 A 61 GLN H A 61 GLN HGx 1.0 1.8 5.500 1020 768 A 61 GLN HGy A 61 GLN H 1.0 1.8 5.500 1021 769 A 65 PHE HD% A 61 GLN HA 1.0 1.8 3.570 1022 770 A 62 SER H A 61 GLN HGx 1.0 1.8 4.850 1023 770 A 61 GLN HGy A 62 SER H 1.0 1.8 4.850 1024 771 A 61 GLN H A 62 SER H 1.0 1.8 4.270 1025 772 A 61 GLN HA A 61 GLN HBy 1.0 1.8 2.640 1026 772 A 61 GLN HBx A 61 GLN HA 1.0 1.8 2.640 1027 773 A 61 GLN HE2x A 61 GLN HA 1.0 1.8 4.100 1028 773 A 61 GLN HE2y A 61 GLN HA 1.0 1.8 4.100 1029 774 A 61 GLN HBx A 61 GLN HE2x 1.0 1.8 4.170 1030 774 A 61 GLN HBx A 61 GLN HE2y 1.0 1.8 4.170 1031 774 A 61 GLN HE2x A 61 GLN HBy 1.0 1.8 4.170 1032 774 A 61 GLN HE2y A 61 GLN HBy 1.0 1.8 4.170 1033 775 A 62 SER H A 61 GLN HBy 1.0 1.8 4.220 1034 775 A 61 GLN HBx A 62 SER H 1.0 1.8 4.220 1035 776 A 65 PHE HBy A 61 GLN HBy 1.0 1.8 5.340 1036 776 A 61 GLN HBx A 65 PHE HBy 1.0 1.8 5.340 1037 777 A 62 SER H A 65 PHE HBx 1.0 1.8 5.500 1038 778 A 65 PHE HBy A 62 SER H 1.0 1.8 4.600 1039 779 A 64 ILE HG2% A 63 GLY HAx 1.0 1.8 5.340 1040 779 A 64 ILE HG2% A 63 GLY HAy 1.0 1.8 5.340 1041 780 A 65 PHE H A 63 GLY HAx 1.0 1.8 4.210 1042 780 A 63 GLY HAy A 65 PHE H 1.0 1.8 4.210 1043 781 A 64 ILE HD1% A 64 ILE H 1.0 1.8 4.700 1044 782 A 64 ILE HD1% A 64 ILE HA 1.0 1.8 4.150 1045 783 A 64 ILE HD1% A 64 ILE HB 1.0 1.8 4.010 1046 784 A 64 ILE HG2% A 64 ILE HA 1.0 1.8 3.460 1047 785 A 64 ILE HD1% A 64 ILE HG2% 1.0 1.8 3.100 1048 786 A 67 LYS HGx A 64 ILE HA 1.0 1.8 3.790 1049 787 A 64 ILE HA A 67 LYS HGy 1.0 1.8 3.790 1050 788 A 64 ILE HG2% A 68 GLY H 1.0 1.8 5.500 1051 789 A 64 ILE HB A 67 LYS H 1.0 1.8 5.500 1052 790 A 64 ILE HG2% A 64 ILE H 1.0 1.8 4.090 1053 791 A 64 ILE H A 64 ILE HG1y 1.0 1.8 4.800 1054 792 A 64 ILE HG2% A 65 PHE H 1.0 1.8 4.890 1055 793 A 64 ILE H A 64 ILE HG1x 1.0 1.8 4.800 1056 794 A 64 ILE H A 65 PHE H 1.0 1.8 4.350 1057 795 A 64 ILE HG2% A 67 LYS H 1.0 1.8 4.330 1058 796 A 64 ILE H A 64 ILE HG1x 1.0 1.8 4.090 1059 796 A 64 ILE H A 64 ILE HG1y 1.0 1.8 4.090 1060 797 A 64 ILE HA A 67 LYS HGy 1.0 1.8 3.290 1061 797 A 67 LYS HGx A 64 ILE HA 1.0 1.8 3.290 1062 798 A 64 ILE HG2% A 67 LYS HGy 1.0 1.8 3.520 1063 798 A 64 ILE HG2% A 67 LYS HGx 1.0 1.8 3.520 1064 799 A 65 PHE H A 64 ILE HG1x 1.0 1.8 5.290 1065 799 A 64 ILE HG1y A 65 PHE H 1.0 1.8 5.290 1066 800 A 65 PHE HBy A 65 PHE H 1.0 1.8 2.920 1067 801 A 65 PHE HD% A 65 PHE HA 1.0 1.8 4.080 1068 802 A 66 GLY H A 65 PHE H 1.0 1.8 4.710 1069 803 A 65 PHE HD% A 66 GLY H 1.0 1.8 5.420 1070 804 A 66 GLY H A 65 PHE HBx 1.0 1.8 4.680 1071 805 A 66 GLY H A 65 PHE HA 1.0 1.8 3.000 1072 806 A 65 PHE H A 65 PHE HBx 1.0 1.8 3.830 1073 807 A 65 PHE H A 67 LYS H 1.0 1.8 5.500 1074 808 A 65 PHE HD% A 67 LYS H 1.0 1.8 5.500 1075 809 A 66 GLY H A 67 LYS HBx 1.0 1.8 4.800 1076 809 A 66 GLY H A 67 LYS HBy 1.0 1.8 4.800 1077 810 A 66 GLY H A 68 GLY H 1.0 1.8 5.020 1078 811 A 66 GLY H A 67 LYS H 1.0 1.8 4.060 1079 812 A 66 GLY H A 66 GLY HAy 1.0 1.8 2.580 1080 812 A 66 GLY H A 66 GLY HAx 1.0 1.8 2.580 1081 813 A 67 LYS HGx A 67 LYS H 1.0 1.8 4.250 1082 814 A 68 GLY H A 67 LYS HBx 1.0 1.8 3.890 1083 814 A 68 GLY H A 67 LYS HBy 1.0 1.8 3.890 1084 815 A 68 GLY H A 67 LYS H 1.0 1.8 3.150 1085 816 A 67 LYS H A 67 LYS HGy 1.0 1.8 4.250 1086 817 A 67 LYS H A 67 LYS HBx 1.0 1.8 3.180 1087 817 A 67 LYS HBy A 67 LYS H 1.0 1.8 3.180 1088 818 A 67 LYS H A 67 LYS HGy 1.0 1.8 3.630 1089 818 A 67 LYS HGx A 67 LYS H 1.0 1.8 3.630 1090 819 A 67 LYS HA A 67 LYS HDx 1.0 1.8 4.660 1091 819 A 67 LYS HA A 67 LYS HDy 1.0 1.8 4.660 1092 820 A 68 GLY H A 67 LYS HGy 1.0 1.8 5.340 1093 820 A 68 GLY H A 67 LYS HGx 1.0 1.8 5.340 1094 821 A 71 TYR HD% A 68 GLY HAy 1.0 1.8 4.710 1095 822 A 68 GLY H A 69 SER H 1.0 1.8 4.510 1096 823 A 71 TYR HD% A 68 GLY HAx 1.0 1.8 4.710 1097 824 A 69 SER HA A 68 GLY HAx 1.0 1.8 4.990 1098 824 A 69 SER HA A 68 GLY HAy 1.0 1.8 4.990 1099 825 A 71 TYR H A 68 GLY HAx 1.0 1.8 5.320 1100 825 A 71 TYR H A 68 GLY HAy 1.0 1.8 5.320 1101 826 A 71 TYR HD% A 68 GLY HAx 1.0 1.8 4.110 1102 826 A 71 TYR HD% A 68 GLY HAy 1.0 1.8 4.110 1103 827 A 69 SER HA A 70 ALA HB% 1.0 1.8 5.500 1104 828 A 69 SER HA A 71 TYR H 1.0 1.8 4.180 1105 829 A 69 SER H A 70 ALA H 1.0 1.8 3.540 1106 830 A 71 TYR H A 69 SER H 1.0 1.8 4.230 1107 831 A 69 SER H A 69 SER HBy 1.0 1.8 3.650 1108 831 A 69 SER H A 69 SER HBx 1.0 1.8 3.650 1109 832 A 70 ALA H A 69 SER HBy 1.0 1.8 4.100 1110 832 A 70 ALA H A 69 SER HBx 1.0 1.8 4.100 1111 833 A 71 TYR H A 69 SER HBy 1.0 1.8 5.340 1112 833 A 71 TYR H A 69 SER HBx 1.0 1.8 5.340 1113 834 A 71 TYR H A 70 ALA HB% 1.0 1.8 3.700 1114 835 A 71 TYR H A 70 ALA H 1.0 1.8 3.370 1115 836 A 70 ALA HB% A 70 ALA H 1.0 1.8 3.040 1116 837 A 71 TYR HD% A 70 ALA HB% 1.0 1.8 4.970 1117 838 A 70 ALA HA A 71 TYR HBx 1.0 1.8 5.340 1118 838 A 70 ALA HA A 71 TYR HBy 1.0 1.8 5.340 1119 839 A 71 TYR HA A 72 SER HBx 1.0 1.8 5.300 1120 840 A 79 LEU HDx% A 71 TYR HE% 1.0 1.8 5.220 1121 841 A 76 ALA HB% A 71 TYR HD% 1.0 1.8 4.520 1122 842 A 76 ALA HB% A 71 TYR HBy 1.0 1.8 4.020 1123 843 A 71 TYR HA A 72 SER HBy 1.0 1.8 5.300 1124 844 A 76 ALA HA A 71 TYR HD% 1.0 1.8 4.420 1125 845 A 76 ALA HB% A 71 TYR HBx 1.0 1.8 4.020 1126 846 A 71 TYR HA A 71 TYR HD% 1.0 1.8 4.880 1127 847 A 71 TYR H A 71 TYR HE% 1.0 1.8 5.330 1128 848 A 71 TYR HBy A 72 SER H 1.0 1.8 4.880 1129 849 A 71 TYR H A 72 SER H 1.0 1.8 4.680 1130 850 A 71 TYR HD% A 72 SER H 1.0 1.8 5.380 1131 851 A 71 TYR H A 71 TYR HBy 1.0 1.8 3.700 1132 852 A 71 TYR H A 71 TYR HBx 1.0 1.8 3.700 1133 853 A 71 TYR H A 71 TYR HD% 1.0 1.8 3.500 1134 854 A 72 SER H A 71 TYR HBx 1.0 1.8 4.880 1135 855 A 71 TYR HA A 72 SER H 1.0 1.8 3.090 1136 856 A 76 ALA H A 71 TYR HD% 1.0 1.8 4.360 1137 857 A 76 ALA H A 71 TYR HA 1.0 1.8 5.440 1138 858 A 77 GLU H A 71 TYR HD% 1.0 1.8 5.500 1139 859 A 79 LEU HDy% A 71 TYR HE% 1.0 1.8 5.220 1140 860 A 71 TYR H A 71 TYR HBx 1.0 1.8 3.230 1141 860 A 71 TYR H A 71 TYR HBy 1.0 1.8 3.230 1142 861 A 71 TYR HA A 75 ASN HBy 1.0 1.8 4.170 1143 861 A 71 TYR HA A 75 ASN HBx 1.0 1.8 4.170 1144 862 A 72 SER H A 71 TYR HBx 1.0 1.8 4.160 1145 862 A 71 TYR HBy A 72 SER H 1.0 1.8 4.160 1146 863 A 76 ALA H A 71 TYR HBx 1.0 1.8 4.290 1147 863 A 76 ALA H A 71 TYR HBy 1.0 1.8 4.290 1148 864 A 76 ALA HB% A 71 TYR HBx 1.0 1.8 3.490 1149 864 A 76 ALA HB% A 71 TYR HBy 1.0 1.8 3.490 1150 865 A 79 LEU HDx% A 71 TYR HD% 1.0 1.8 5.440 1151 866 A 79 LEU HDx% A 71 TYR HE% 1.0 1.8 4.340 1152 867 A 72 SER H A 75 ASN H 1.0 1.8 5.500 1153 868 A 76 ALA H A 72 SER H 1.0 1.8 5.300 1154 869 A 76 ALA H A 72 SER HA 1.0 1.8 5.500 1155 870 A 76 ALA HB% A 72 SER H 1.0 1.8 5.000 1156 871 A 72 SER H A 72 SER HBy 1.0 1.8 2.510 1157 871 A 72 SER H A 72 SER HBx 1.0 1.8 2.510 1158 872 A 72 SER H A 75 ASN HBy 1.0 1.8 5.090 1159 872 A 72 SER H A 75 ASN HBx 1.0 1.8 5.090 1160 873 A 75 ASN H A 72 SER HBy 1.0 1.8 4.560 1161 873 A 75 ASN H A 72 SER HBx 1.0 1.8 4.560 1162 874 A 74 HIS H A 73 ARG HBx 1.0 1.8 3.490 1163 874 A 74 HIS H A 73 ARG HBy 1.0 1.8 3.490 1164 875 A 74 HIS H A 74 HIS HBy 1.0 1.8 3.650 1165 876 A 74 HIS H A 75 ASN H 1.0 1.8 3.850 1166 877 A 76 ALA HB% A 74 HIS H 1.0 1.8 5.500 1167 878 A 76 ALA H A 74 HIS HA 1.0 1.8 5.500 1168 879 A 74 HIS H A 74 HIS HBx 1.0 1.8 3.650 1169 880 A 77 GLU H A 74 HIS HA 1.0 1.8 4.610 1170 881 A 76 ALA H A 74 HIS H 1.0 1.8 4.410 1171 882 A 74 HIS H A 74 HIS HD2 1.0 1.8 5.150 1172 883 A 75 ASN H A 74 HIS HBx 1.0 1.8 3.840 1173 883 A 75 ASN H A 74 HIS HBy 1.0 1.8 3.840 1174 884 A 76 ALA H A 74 HIS HBx 1.0 1.8 5.340 1175 884 A 76 ALA H A 74 HIS HBy 1.0 1.8 5.340 1176 885 A 75 ASN HA A 78 ARG HBx 1.0 1.8 3.920 1177 885 A 75 ASN HA A 78 ARG HBy 1.0 1.8 3.920 1178 886 A 75 ASN H A 78 ARG HBx 1.0 1.8 5.440 1179 886 A 75 ASN H A 78 ARG HBy 1.0 1.8 5.440 1180 887 A 76 ALA H A 75 ASN HBy 1.0 1.8 4.670 1181 888 A 75 ASN H A 75 ASN HBy 1.0 1.8 4.200 1182 889 A 76 ALA H A 75 ASN H 1.0 1.8 3.750 1183 890 A 76 ALA H A 75 ASN HBx 1.0 1.8 4.670 1184 891 A 75 ASN HBx A 75 ASN H 1.0 1.8 4.200 1185 892 A 75 ASN H A 75 ASN HBy 1.0 1.8 3.360 1186 892 A 75 ASN HBx A 75 ASN H 1.0 1.8 3.360 1187 893 A 76 ALA H A 75 ASN HBy 1.0 1.8 3.890 1188 893 A 76 ALA H A 75 ASN HBx 1.0 1.8 3.890 1189 894 A 78 ARG H A 75 ASN HA 1.0 1.8 5.500 1190 895 A 76 ALA HB% A 77 GLU HGx 1.0 1.8 4.080 1191 895 A 76 ALA HB% A 77 GLU HGy 1.0 1.8 4.080 1192 896 A 76 ALA HA A 79 LEU HBx 1.0 1.8 4.990 1193 897 A 76 ALA HA A 79 LEU H 1.0 1.8 3.830 1194 898 A 76 ALA HB% A 76 ALA H 1.0 1.8 3.390 1195 899 A 77 GLU H A 76 ALA H 1.0 1.8 3.900 1196 900 A 76 ALA HB% A 77 GLU H 1.0 1.8 3.610 1197 901 A 76 ALA HB% A 78 ARG H 1.0 1.8 4.490 1198 902 A 76 ALA H A 78 ARG H 1.0 1.8 5.240 1199 903 A 80 PHE HE% A 76 ALA HB% 1.0 1.8 4.830 1200 904 A 80 PHE HD% A 76 ALA HB% 1.0 1.8 5.500 1201 905 A 80 PHE HZ A 76 ALA HB% 1.0 1.8 5.500 1202 906 A 79 LEU HDx% A 76 ALA HA 1.0 1.8 4.020 1203 907 A 77 GLU HA A 77 GLU HGx 1.0 1.8 3.630 1204 907 A 77 GLU HGy A 77 GLU HA 1.0 1.8 3.630 1205 908 A 77 GLU HGy A 77 GLU HBx 1.0 1.8 2.770 1206 908 A 77 GLU HBx A 77 GLU HGx 1.0 1.8 2.770 1207 909 A 77 GLU HGy A 77 GLU HBy 1.0 1.8 2.770 1208 909 A 77 GLU HBy A 77 GLU HGx 1.0 1.8 2.770 1209 910 A 80 PHE HD% A 77 GLU HA 1.0 1.8 3.990 1210 911 A 77 GLU HA A 80 PHE HBy 1.0 1.8 3.830 1211 912 A 77 GLU HA A 80 PHE H 1.0 1.8 4.040 1212 913 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.990 1213 914 A 77 GLU H A 77 GLU HGx 1.0 1.8 3.760 1214 914 A 77 GLU HGy A 77 GLU H 1.0 1.8 3.760 1215 915 A 77 GLU H A 78 ARG H 1.0 1.8 3.760 1216 916 A 78 ARG H A 77 GLU HGx 1.0 1.8 4.950 1217 916 A 77 GLU HGy A 78 ARG H 1.0 1.8 4.950 1218 917 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.990 1219 918 A 77 GLU H A 79 LEU H 1.0 1.8 4.750 1220 919 A 77 GLU H A 77 GLU HBy 1.0 1.8 3.370 1221 919 A 77 GLU H A 77 GLU HBx 1.0 1.8 3.370 1222 920 A 77 GLU HBy A 77 GLU HGx 1.0 1.8 2.300 1223 920 A 77 GLU HBx A 77 GLU HGx 1.0 1.8 2.300 1224 920 A 77 GLU HGy A 77 GLU HBy 1.0 1.8 2.300 1225 920 A 77 GLU HGy A 77 GLU HBx 1.0 1.8 2.300 1226 921 A 78 ARG H A 77 GLU HBy 1.0 1.8 3.500 1227 921 A 78 ARG H A 77 GLU HBx 1.0 1.8 3.500 1228 922 A 79 LEU HA A 78 ARG HBx 1.0 1.8 4.320 1229 922 A 78 ARG HBy A 79 LEU HA 1.0 1.8 4.320 1230 923 A 80 PHE H A 78 ARG HBx 1.0 1.8 5.500 1231 923 A 78 ARG HBy A 80 PHE H 1.0 1.8 5.500 1232 924 A 79 LEU H A 78 ARG HGx 1.0 1.8 4.570 1233 924 A 79 LEU H A 78 ARG HGy 1.0 1.8 4.570 1234 925 A 78 ARG H A 78 ARG HBx 1.0 1.8 3.300 1235 925 A 78 ARG H A 78 ARG HBy 1.0 1.8 3.300 1236 926 A 78 ARG H A 78 ARG HGx 1.0 1.8 3.980 1237 926 A 78 ARG H A 78 ARG HGy 1.0 1.8 3.980 1238 927 A 78 ARG H A 80 PHE HBy 1.0 1.8 5.460 1239 928 A 78 ARG H A 79 LEU HBx 1.0 1.8 5.500 1240 929 A 78 ARG H A 79 LEU H 1.0 1.8 3.900 1241 930 A 79 LEU H A 78 ARG HBx 1.0 1.8 3.840 1242 930 A 78 ARG HBy A 79 LEU H 1.0 1.8 3.840 1243 931 A 79 LEU HDx% A 78 ARG H 1.0 1.8 5.440 1244 932 A 79 LEU HDx% A 78 ARG HBx 1.0 1.8 5.440 1245 932 A 79 LEU HDx% A 78 ARG HBy 1.0 1.8 5.440 1246 933 A 78 ARG HA A 81 LYS H 1.0 1.8 4.040 1247 934 A 79 LEU HA A 82 LYS HBx 1.0 1.8 4.500 1248 934 A 79 LEU HA A 82 LYS HBy 1.0 1.8 4.500 1249 935 A 123 PHE HD% A 79 LEU HA 1.0 1.8 4.300 1250 936 A 79 LEU HDx% A 79 LEU HA 1.0 1.8 4.750 1251 937 A 79 LEU HDx% A 80 PHE H 1.0 1.8 5.470 1252 938 A 79 LEU HDx% A 79 LEU HBy 1.0 1.8 3.790 1253 939 A 79 LEU HDy% A 79 LEU H 1.0 1.8 4.860 1254 940 A 79 LEU HDy% A 79 LEU HA 1.0 1.8 4.750 1255 941 A 79 LEU HDy% A 79 LEU HBy 1.0 1.8 3.790 1256 942 A 79 LEU HDx% A 83 LEU H 1.0 1.8 5.500 1257 943 A 79 LEU HDy% A 83 LEU H 1.0 1.8 5.500 1258 944 A 79 LEU HBx A 80 PHE H 1.0 1.8 4.150 1259 945 A 80 PHE HBy A 79 LEU H 1.0 1.8 4.750 1260 946 A 79 LEU H A 79 LEU HBy 1.0 1.8 3.540 1261 947 A 79 LEU HDx% A 79 LEU H 1.0 1.8 4.860 1262 948 A 79 LEU HDy% A 80 PHE H 1.0 1.8 5.470 1263 949 A 80 PHE HD% A 79 LEU H 1.0 1.8 4.270 1264 950 A 79 LEU H A 80 PHE H 1.0 1.8 3.870 1265 951 A 79 LEU HDx% A 82 LYS H 1.0 1.8 5.500 1266 952 A 79 LEU HDy% A 82 LYS H 1.0 1.8 5.500 1267 953 A 79 LEU HBx A 81 LYS H 1.0 1.8 5.500 1268 954 A 81 LYS H A 79 LEU HG 1.0 1.8 5.500 1269 955 A 79 LEU HBx A 79 LEU H 1.0 1.8 3.620 1270 956 A 79 LEU HA A 82 LYS H 1.0 1.8 4.310 1271 957 A 80 PHE H A 79 LEU HBy 1.0 1.8 3.100 1272 958 A 80 PHE HD% A 79 LEU HBy 1.0 1.8 5.500 1273 959 A 79 LEU HDx% A 79 LEU H 1.0 1.8 3.850 1274 960 A 79 LEU HDx% A 79 LEU HA 1.0 1.8 3.570 1275 961 A 83 LEU HDx% A 79 LEU HBy 1.0 1.8 5.220 1276 962 A 79 LEU HDx% A 80 PHE H 1.0 1.8 4.500 1277 963 A 79 LEU HDx% A 80 PHE HA 1.0 1.8 5.230 1278 964 A 79 LEU HDx% A 80 PHE HE% 1.0 1.8 5.440 1279 965 A 79 LEU HDx% A 80 PHE HD% 1.0 1.8 5.280 1280 966 A 79 LEU HDx% A 81 LYS H 1.0 1.8 5.440 1281 967 A 79 LEU HDx% A 82 LYS HBx 1.0 1.8 4.700 1282 967 A 79 LEU HDx% A 82 LYS HBy 1.0 1.8 4.700 1283 968 A 79 LEU HDx% A 83 LEU HG 1.0 1.8 5.350 1284 969 A 79 LEU HDx% A 83 LEU HDx% 1.0 1.8 3.640 1285 970 A 79 LEU HDy% A 121 VAL HGy% 1.0 1.8 4.770 1286 971 A 79 LEU HDy% A 123 PHE HBy 1.0 1.8 3.820 1287 971 A 79 LEU HDy% A 123 PHE HBx 1.0 1.8 3.820 1288 972 A 123 PHE HD% A 79 LEU HDx% 1.0 1.8 3.940 1289 973 A 79 LEU HDx% A 124 MET H 1.0 1.8 5.440 1290 974 A 80 PHE HD% A 89 LEU HG 1.0 1.8 5.130 1291 975 A 83 LEU HDx% A 80 PHE HA 1.0 1.8 4.470 1292 976 A 80 PHE HA A 83 LEU HBy 1.0 1.8 4.030 1293 977 A 83 LEU HG A 80 PHE HA 1.0 1.8 4.600 1294 978 A 83 LEU H A 80 PHE HA 1.0 1.8 3.750 1295 979 A 80 PHE HA A 89 LEU HG 1.0 1.8 4.690 1296 980 A 80 PHE HD% A 80 PHE HA 1.0 1.8 4.920 1297 981 A 80 PHE HD% A 80 PHE HA 1.0 1.8 5.280 1298 982 A 80 PHE HA A 83 LEU HDy% 1.0 1.8 4.470 1299 983 A 80 PHE HBy A 80 PHE H 1.0 1.8 3.210 1300 984 A 80 PHE H A 82 LYS HBx 1.0 1.8 5.500 1301 984 A 80 PHE H A 82 LYS HBy 1.0 1.8 5.500 1302 985 A 80 PHE H A 83 LEU HBy 1.0 1.8 5.500 1303 986 A 80 PHE H A 81 LYS H 1.0 1.8 3.650 1304 987 A 80 PHE HD% A 81 LYS H 1.0 1.8 5.160 1305 988 A 80 PHE HD% A 80 PHE H 1.0 1.8 3.800 1306 989 A 80 PHE HBy A 81 LYS H 1.0 1.8 3.810 1307 990 A 80 PHE HBy A 82 LYS H 1.0 1.8 5.230 1308 991 A 80 PHE HE% A 80 PHE H 1.0 1.8 5.500 1309 992 A 83 LEU HDx% A 80 PHE HA 1.0 1.8 3.780 1310 993 A 80 PHE HD% A 83 LEU HDy% 1.0 1.8 5.300 1311 994 A 81 LYS H A 81 LYS HBx 1.0 1.8 2.700 1312 994 A 81 LYS H A 81 LYS HBy 1.0 1.8 2.700 1313 995 A 82 LYS H A 81 LYS HBx 1.0 1.8 3.080 1314 995 A 82 LYS H A 81 LYS HBy 1.0 1.8 3.080 1315 996 A 81 LYS HA A 84 ILE HD1% 1.0 1.8 4.820 1316 997 A 81 LYS HA A 84 ILE HG2% 1.0 1.8 3.810 1317 998 A 83 LEU H A 81 LYS HA 1.0 1.8 5.390 1318 999 A 81 LYS HA A 81 LYS HGx 1.0 1.8 3.610 1319 1000 A 81 LYS HA A 81 LYS HDx 1.0 1.8 4.030 1320 1000 A 81 LYS HA A 81 LYS HDy 1.0 1.8 4.030 1321 1001 A 81 LYS HA A 84 ILE HB 1.0 1.8 5.500 1322 1002 A 81 LYS HA A 81 LYS HGy 1.0 1.8 3.610 1323 1003 A 81 LYS HA A 81 LYS HBx 1.0 1.8 2.580 1324 1003 A 81 LYS HBy A 81 LYS HA 1.0 1.8 2.580 1325 1004 A 81 LYS H A 81 LYS HGx 1.0 1.8 4.110 1326 1005 A 81 LYS H A 84 ILE H 1.0 1.8 5.500 1327 1006 A 81 LYS H A 82 LYS H 1.0 1.8 3.680 1328 1007 A 81 LYS HA A 84 ILE H 1.0 1.8 4.340 1329 1008 A 81 LYS H A 81 LYS HGy 1.0 1.8 4.110 1330 1009 A 81 LYS H A 81 LYS HGy 1.0 1.8 3.320 1331 1009 A 81 LYS H A 81 LYS HGx 1.0 1.8 3.320 1332 1010 A 83 LEU HDx% A 81 LYS H 1.0 1.8 5.440 1333 1011 A 81 LYS HA A 81 LYS HGy 1.0 1.8 2.960 1334 1011 A 81 LYS HA A 81 LYS HGx 1.0 1.8 2.960 1335 1012 A 82 LYS HA A 82 LYS HDx 1.0 1.8 4.930 1336 1012 A 82 LYS HA A 82 LYS HDy 1.0 1.8 4.930 1337 1013 A 82 LYS HBx A 82 LYS HDx 1.0 1.8 3.190 1338 1013 A 82 LYS HBy A 82 LYS HDx 1.0 1.8 3.190 1339 1013 A 82 LYS HDy A 82 LYS HBx 1.0 1.8 3.190 1340 1013 A 82 LYS HBy A 82 LYS HDy 1.0 1.8 3.190 1341 1014 A 82 LYS H A 82 LYS HBx 1.0 1.8 2.890 1342 1014 A 82 LYS HBy A 82 LYS H 1.0 1.8 2.890 1343 1015 A 123 PHE HD% A 82 LYS HDx 1.0 1.8 4.710 1344 1015 A 123 PHE HD% A 82 LYS HDy 1.0 1.8 4.710 1345 1016 A 82 LYS H A 82 LYS HGx 1.0 1.8 4.890 1346 1017 A 82 LYS HA A 85 LEU H 1.0 1.8 3.870 1347 1018 A 82 LYS H A 83 LEU HDy% 1.0 1.8 5.500 1348 1019 A 82 LYS H A 84 ILE H 1.0 1.8 5.250 1349 1020 A 123 PHE HD% A 82 LYS H 1.0 1.8 5.500 1350 1021 A 82 LYS H A 82 LYS HGy 1.0 1.8 4.890 1351 1022 A 82 LYS H A 82 LYS HDx 1.0 1.8 5.190 1352 1022 A 82 LYS H A 82 LYS HDy 1.0 1.8 5.190 1353 1023 A 83 LEU HDx% A 82 LYS H 1.0 1.8 5.500 1354 1024 A 123 PHE HD% A 82 LYS HBx 1.0 1.8 4.520 1355 1024 A 123 PHE HD% A 82 LYS HBy 1.0 1.8 4.520 1356 1025 A 83 LEU HDx% A 82 LYS H 1.0 1.8 4.720 1357 1026 A 82 LYS HA A 82 LYS HGy 1.0 1.8 3.340 1358 1026 A 82 LYS HA A 82 LYS HGx 1.0 1.8 3.340 1359 1027 A 82 LYS HA A 82 LYS HEx 1.0 1.8 5.340 1360 1027 A 82 LYS HA A 82 LYS HEy 1.0 1.8 5.340 1361 1028 A 82 LYS HBy A 82 LYS HEx 1.0 1.8 4.080 1362 1028 A 82 LYS HBx A 82 LYS HEx 1.0 1.8 4.080 1363 1028 A 82 LYS HEy A 82 LYS HBx 1.0 1.8 4.080 1364 1028 A 82 LYS HBy A 82 LYS HEy 1.0 1.8 4.080 1365 1029 A 121 VAL HGy% A 82 LYS HBx 1.0 1.8 4.550 1366 1029 A 121 VAL HGy% A 82 LYS HBy 1.0 1.8 4.550 1367 1030 A 83 LEU H A 82 LYS HGy 1.0 1.8 4.090 1368 1030 A 83 LEU H A 82 LYS HGx 1.0 1.8 4.090 1369 1031 A 83 LEU HA A 82 LYS HGy 1.0 1.8 4.270 1370 1031 A 82 LYS HGx A 83 LEU HA 1.0 1.8 4.270 1371 1032 A 121 VAL HA A 82 LYS HEx 1.0 1.8 5.340 1372 1032 A 82 LYS HEy A 121 VAL HA 1.0 1.8 5.340 1373 1033 A 121 VAL HGy% A 82 LYS HEx 1.0 1.8 3.850 1374 1033 A 121 VAL HGy% A 82 LYS HEy 1.0 1.8 3.850 1375 1034 A 123 PHE HD% A 82 LYS HEx 1.0 1.8 5.340 1376 1034 A 123 PHE HD% A 82 LYS HEy 1.0 1.8 5.340 1377 1035 A 82 LYS HA A 85 LEU H 1.0 1.8 5.500 1378 1036 A 89 LEU HG A 83 LEU HBy 1.0 1.8 3.990 1379 1037 A 83 LEU HDy% A 83 LEU HA 1.0 1.8 4.630 1380 1038 A 83 LEU HA A 88 ILE HD1% 1.0 1.8 4.210 1381 1039 A 83 LEU HA A 86 ASP HBx 1.0 1.8 4.020 1382 1039 A 83 LEU HA A 86 ASP HBy 1.0 1.8 4.020 1383 1040 A 83 LEU HBy A 89 LEU HDx% 1.0 1.8 5.070 1384 1040 A 83 LEU HBy A 89 LEU HDy% 1.0 1.8 5.070 1385 1041 A 83 LEU HDx% A 83 LEU HA 1.0 1.8 4.630 1386 1042 A 83 LEU HBx A 88 ILE HB 1.0 1.8 4.880 1387 1043 A 89 LEU HG A 83 LEU HBx 1.0 1.8 4.580 1388 1044 A 83 LEU HG A 83 LEU H 1.0 1.8 4.610 1389 1045 A 83 LEU HBy A 88 ILE HG2% 1.0 1.8 5.500 1390 1046 A 83 LEU HG A 88 ILE HG2% 1.0 1.8 5.500 1391 1047 A 83 LEU HG A 89 LEU HDx% 1.0 1.8 4.140 1392 1047 A 83 LEU HG A 89 LEU HDy% 1.0 1.8 4.140 1393 1048 A 83 LEU HBy A 84 ILE H 1.0 1.8 5.500 1394 1049 A 83 LEU H A 84 ILE HG2% 1.0 1.8 5.500 1395 1050 A 83 LEU H A 83 LEU HBy 1.0 1.8 3.340 1396 1051 A 83 LEU HDx% A 83 LEU H 1.0 1.8 4.260 1397 1052 A 85 LEU H A 83 LEU HA 1.0 1.8 4.370 1398 1053 A 83 LEU H A 83 LEU HDy% 1.0 1.8 4.260 1399 1054 A 83 LEU HA A 89 LEU H 1.0 1.8 5.040 1400 1055 A 83 LEU HBy A 89 LEU H 1.0 1.8 5.500 1401 1056 A 83 LEU HG A 89 LEU H 1.0 1.8 5.500 1402 1057 A 83 LEU H A 84 ILE H 1.0 1.8 3.860 1403 1058 A 83 LEU H A 85 LEU H 1.0 1.8 4.510 1404 1059 A 83 LEU HA A 86 ASP H 1.0 1.8 4.310 1405 1060 A 83 LEU HDx% A 83 LEU H 1.0 1.8 3.540 1406 1061 A 83 LEU HDx% A 83 LEU HA 1.0 1.8 3.440 1407 1062 A 83 LEU HBx A 89 LEU HBy 1.0 1.8 5.340 1408 1062 A 83 LEU HBx A 89 LEU HBx 1.0 1.8 5.340 1409 1063 A 83 LEU HDx% A 84 ILE H 1.0 1.8 4.880 1410 1064 A 83 LEU HDx% A 88 ILE HB 1.0 1.8 5.440 1411 1065 A 83 LEU HDx% A 89 LEU H 1.0 1.8 5.440 1412 1066 A 83 LEU HDy% A 89 LEU HBy 1.0 1.8 5.280 1413 1066 A 83 LEU HDy% A 89 LEU HBx 1.0 1.8 5.280 1414 1067 A 83 LEU HDx% A 89 LEU HG 1.0 1.8 3.750 1415 1068 A 83 LEU HDy% A 89 LEU HDx% 1.0 1.8 3.870 1416 1068 A 83 LEU HDy% A 89 LEU HDy% 1.0 1.8 3.870 1417 1069 A 84 ILE HG2% A 85 LEU H 1.0 1.8 4.610 1418 1070 A 84 ILE HB A 84 ILE HA 1.0 1.8 2.590 1419 1071 A 84 ILE HD1% A 84 ILE HA 1.0 1.8 3.780 1420 1072 A 84 ILE HD1% A 84 ILE H 1.0 1.8 4.280 1421 1073 A 84 ILE HG2% A 84 ILE HA 1.0 1.8 3.570 1422 1074 A 84 ILE HG2% A 84 ILE HG1x 1.0 1.8 3.530 1423 1075 A 84 ILE HD1% A 84 ILE HB 1.0 1.8 2.880 1424 1076 A 84 ILE HB A 85 LEU H 1.0 1.8 4.390 1425 1077 A 84 ILE HD1% A 85 LEU HG 1.0 1.8 3.910 1426 1078 A 84 ILE HD1% A 84 ILE HG2% 1.0 1.8 3.230 1427 1079 A 84 ILE HG2% A 84 ILE HG1y 1.0 1.8 3.530 1428 1080 A 84 ILE HD1% A 85 LEU H 1.0 1.8 5.270 1429 1081 A 84 ILE HB A 84 ILE H 1.0 1.8 3.660 1430 1082 A 84 ILE HG2% A 91 GLU H 1.0 1.8 4.530 1431 1083 A 84 ILE HG2% A 84 ILE H 1.0 1.8 3.390 1432 1084 A 84 ILE H A 86 ASP H 1.0 1.8 4.630 1433 1085 A 84 ILE H A 85 LEU H 1.0 1.8 3.780 1434 1086 A 89 LEU H A 84 ILE HA 1.0 1.8 4.120 1435 1087 A 84 ILE H A 84 ILE HG1x 1.0 1.8 3.150 1436 1087 A 84 ILE H A 84 ILE HG1y 1.0 1.8 3.150 1437 1088 A 84 ILE HA A 89 LEU HBy 1.0 1.8 4.990 1438 1088 A 89 LEU HBx A 84 ILE HA 1.0 1.8 4.990 1439 1089 A 84 ILE HG2% A 91 GLU HGx 1.0 1.8 3.750 1440 1089 A 84 ILE HG2% A 91 GLU HGy 1.0 1.8 3.750 1441 1090 A 85 LEU H A 84 ILE HG1x 1.0 1.8 3.520 1442 1090 A 85 LEU H A 84 ILE HG1y 1.0 1.8 3.520 1443 1091 A 84 ILE HG1x A 89 LEU HBy 1.0 1.8 5.180 1444 1091 A 84 ILE HG1y A 89 LEU HBy 1.0 1.8 5.180 1445 1091 A 89 LEU HBx A 84 ILE HG1x 1.0 1.8 5.180 1446 1091 A 89 LEU HBx A 84 ILE HG1y 1.0 1.8 5.180 1447 1092 A 84 ILE HA A 87 LYS H 1.0 1.8 5.500 1448 1093 A 85 LEU HG A 85 LEU HA 1.0 1.8 2.400 1449 1094 A 85 LEU H A 85 LEU HG 1.0 1.8 4.110 1450 1095 A 86 ASP H A 85 LEU HBy 1.0 1.8 4.300 1451 1096 A 86 ASP H A 85 LEU HG 1.0 1.8 5.330 1452 1097 A 85 LEU H A 86 ASP H 1.0 1.8 3.630 1453 1098 A 86 ASP H A 85 LEU HBx 1.0 1.8 4.300 1454 1099 A 85 LEU H A 85 LEU HBy 1.0 1.8 2.720 1455 1099 A 85 LEU H A 85 LEU HBx 1.0 1.8 2.720 1456 1100 A 85 LEU HA A 85 LEU HD11 1.0 1.8 2.990 1457 1100 A 85 LEU HA A 85 LEU HDy% 1.0 1.8 2.990 1458 1101 A 86 ASP H A 85 LEU HBy 1.0 1.8 3.440 1459 1101 A 86 ASP H A 85 LEU HBx 1.0 1.8 3.440 1460 1102 A 88 ILE HD1% A 86 ASP HBx 1.0 1.8 4.030 1461 1102 A 88 ILE HD1% A 86 ASP HBy 1.0 1.8 4.030 1462 1103 A 88 ILE HD1% A 86 ASP H 1.0 1.8 5.500 1463 1104 A 86 ASP H A 86 ASP HBx 1.0 1.8 2.780 1464 1104 A 86 ASP HBy A 86 ASP H 1.0 1.8 2.780 1465 1105 A 86 ASP H A 87 LYS H 1.0 1.8 3.650 1466 1106 A 87 LYS H A 86 ASP HBx 1.0 1.8 3.830 1467 1106 A 86 ASP HBy A 87 LYS H 1.0 1.8 3.830 1468 1107 A 88 ILE H A 86 ASP HBx 1.0 1.8 4.200 1469 1107 A 86 ASP HBy A 88 ILE H 1.0 1.8 4.200 1470 1108 A 89 LEU H A 86 ASP H 1.0 1.8 5.150 1471 1109 A 86 ASP H A 88 ILE H 1.0 1.8 4.640 1472 1110 A 86 ASP H A 87 LYS HA 1.0 1.8 4.670 1473 1111 A 87 LYS H A 88 ILE HA 1.0 1.8 4.890 1474 1112 A 110 LYS HGx A 87 LYS HBx 1.0 1.8 3.890 1475 1112 A 87 LYS HBy A 110 LYS HGx 1.0 1.8 3.890 1476 1113 A 110 LYS HGy A 87 LYS HBx 1.0 1.8 4.210 1477 1113 A 87 LYS HBy A 110 LYS HGy 1.0 1.8 4.210 1478 1114 A 88 ILE HB A 87 LYS HBx 1.0 1.8 5.430 1479 1114 A 88 ILE HB A 87 LYS HBy 1.0 1.8 5.430 1480 1115 A 110 LYS HBy A 87 LYS HBx 1.0 1.8 4.620 1481 1115 A 87 LYS HBy A 110 LYS HBy 1.0 1.8 4.620 1482 1116 A 87 LYS H A 87 LYS HGy 1.0 1.8 5.220 1483 1117 A 87 LYS H A 87 LYS HGx 1.0 1.8 4.540 1484 1118 A 88 ILE HD1% A 87 LYS H 1.0 1.8 5.500 1485 1119 A 87 LYS HBx A 110 LYS HEx 1.0 1.8 5.200 1486 1119 A 87 LYS HBy A 110 LYS HEx 1.0 1.8 5.200 1487 1119 A 110 LYS HEy A 87 LYS HBx 1.0 1.8 5.200 1488 1119 A 87 LYS HBy A 110 LYS HEy 1.0 1.8 5.200 1489 1120 A 87 LYS HA A 87 LYS HGx 1.0 1.8 2.850 1490 1121 A 87 LYS HA A 87 LYS HGy 1.0 1.8 3.240 1491 1122 A 87 LYS H A 110 LYS HBx 1.0 1.8 5.500 1492 1123 A 89 LEU H A 87 LYS H 1.0 1.8 4.190 1493 1124 A 89 LEU H A 87 LYS HA 1.0 1.8 4.200 1494 1125 A 87 LYS H A 88 ILE H 1.0 1.8 3.760 1495 1126 A 88 ILE HB A 87 LYS H 1.0 1.8 3.910 1496 1127 A 87 LYS HGy A 109 ASN H 1.0 1.8 4.490 1497 1128 A 109 ASN H A 87 LYS HBx 1.0 1.8 4.730 1498 1128 A 87 LYS HBy A 109 ASN H 1.0 1.8 4.730 1499 1129 A 88 ILE H A 87 LYS HBx 1.0 1.8 4.750 1500 1129 A 88 ILE H A 87 LYS HBy 1.0 1.8 4.750 1501 1130 A 110 LYS H A 87 LYS HBx 1.0 1.8 3.970 1502 1130 A 87 LYS HBy A 110 LYS H 1.0 1.8 3.970 1503 1131 A 87 LYS H A 87 LYS HBx 1.0 1.8 3.760 1504 1131 A 87 LYS H A 87 LYS HBy 1.0 1.8 3.760 1505 1132 A 87 LYS H A 89 LEU HDx% 1.0 1.8 5.160 1506 1132 A 89 LEU HDy% A 87 LYS H 1.0 1.8 5.160 1507 1133 A 87 LYS HBy A 109 ASN HD2x 1.0 1.8 4.450 1508 1133 A 87 LYS HBx A 109 ASN HD2x 1.0 1.8 4.450 1509 1133 A 109 ASN HD2y A 87 LYS HBx 1.0 1.8 4.450 1510 1133 A 87 LYS HBy A 109 ASN HD2y 1.0 1.8 4.450 1511 1134 A 87 LYS HGx A 109 ASN HD2x 1.0 1.8 5.340 1512 1134 A 87 LYS HGx A 109 ASN HD2y 1.0 1.8 5.340 1513 1135 A 88 ILE HD1% A 88 ILE HA 1.0 1.8 4.120 1514 1136 A 88 ILE HG2% A 88 ILE HA 1.0 1.8 3.860 1515 1137 A 88 ILE HA A 88 ILE HG1x 1.0 1.8 4.210 1516 1138 A 88 ILE HA A 110 LYS HBx 1.0 1.8 4.100 1517 1139 A 88 ILE HD1% A 88 ILE HB 1.0 1.8 3.370 1518 1140 A 88 ILE HG2% A 111 ALA HA 1.0 1.8 3.380 1519 1141 A 88 ILE HG2% A 111 ALA HB% 1.0 1.8 4.050 1520 1142 A 88 ILE HA A 111 ALA HB% 1.0 1.8 4.770 1521 1143 A 88 ILE HA A 111 ALA HA 1.0 1.8 4.420 1522 1144 A 88 ILE HG2% A 88 ILE H 1.0 1.8 5.070 1523 1145 A 88 ILE HD1% A 88 ILE HG2% 1.0 1.8 4.180 1524 1146 A 88 ILE HG2% A 88 ILE HG1y 1.0 1.8 3.020 1525 1147 A 88 ILE HG2% A 89 LEU H 1.0 1.8 4.240 1526 1148 A 88 ILE HD1% A 89 LEU H 1.0 1.8 5.350 1527 1149 A 110 LYS HBy A 88 ILE HG1x 1.0 1.8 4.430 1528 1150 A 110 LYS HBx A 88 ILE HG1x 1.0 1.8 4.640 1529 1151 A 88 ILE HG2% A 89 LEU HDx% 1.0 1.8 2.590 1530 1151 A 89 LEU HDy% A 88 ILE HG2% 1.0 1.8 2.590 1531 1152 A 88 ILE HA A 110 LYS HBy 1.0 1.8 3.710 1532 1153 A 89 LEU HG A 88 ILE HG2% 1.0 1.8 5.500 1533 1154 A 89 LEU H A 88 ILE H 1.0 1.8 3.540 1534 1155 A 88 ILE H A 88 ILE HG1x 1.0 1.8 3.660 1535 1156 A 88 ILE HA A 110 LYS H 1.0 1.8 4.130 1536 1157 A 88 ILE H A 110 LYS HGy 1.0 1.8 4.640 1537 1158 A 88 ILE HB A 89 LEU H 1.0 1.8 3.570 1538 1159 A 88 ILE HB A 88 ILE H 1.0 1.8 3.450 1539 1160 A 88 ILE HD1% A 88 ILE H 1.0 1.8 2.480 1540 1161 A 88 ILE HG2% A 111 ALA H 1.0 1.8 4.850 1541 1162 A 88 ILE HA A 111 ALA H 1.0 1.8 4.080 1542 1163 A 88 ILE H A 110 LYS H 1.0 1.8 5.500 1543 1164 A 88 ILE HG2% A 110 LYS H 1.0 1.8 5.500 1544 1165 A 110 LYS H A 88 ILE HG1x 1.0 1.8 5.500 1545 1166 A 89 LEU HA A 107 LEU HA 1.0 1.8 4.380 1546 1167 A 107 LEU HA A 89 LEU HDx% 1.0 1.8 3.780 1547 1167 A 89 LEU HDy% A 107 LEU HA 1.0 1.8 3.780 1548 1168 A 89 LEU HG A 89 LEU H 1.0 1.8 5.500 1549 1169 A 89 LEU HDy% A 90 ASP HBx 1.0 1.8 4.840 1550 1169 A 89 LEU HDx% A 90 ASP HBx 1.0 1.8 4.840 1551 1169 A 90 ASP HBy A 89 LEU HDx% 1.0 1.8 4.840 1552 1169 A 89 LEU HDy% A 90 ASP HBy 1.0 1.8 4.840 1553 1170 A 89 LEU HA A 89 LEU HDx% 1.0 1.8 5.500 1554 1170 A 89 LEU HDy% A 89 LEU HA 1.0 1.8 5.500 1555 1171 A 89 LEU H A 89 LEU HDx% 1.0 1.8 3.290 1556 1171 A 89 LEU HDy% A 89 LEU H 1.0 1.8 3.290 1557 1172 A 89 LEU H A 90 ASP H 1.0 1.8 4.570 1558 1173 A 90 ASP H A 89 LEU HBy 1.0 1.8 4.300 1559 1174 A 89 LEU HBx A 90 ASP H 1.0 1.8 4.300 1560 1175 A 90 ASP H A 89 LEU HDx% 1.0 1.8 3.220 1561 1175 A 89 LEU HDy% A 90 ASP H 1.0 1.8 3.220 1562 1176 A 108 GLY H A 89 LEU HDx% 1.0 1.8 4.490 1563 1176 A 89 LEU HDy% A 108 GLY H 1.0 1.8 4.490 1564 1177 A 89 LEU HA A 90 ASP H 1.0 1.8 3.230 1565 1178 A 91 GLU H A 89 LEU HDx% 1.0 1.8 4.960 1566 1178 A 89 LEU HDy% A 91 GLU H 1.0 1.8 4.960 1567 1179 A 89 LEU HA A 108 GLY H 1.0 1.8 3.790 1568 1180 A 89 LEU HA A 108 GLY HAx 1.0 1.8 5.340 1569 1180 A 89 LEU HA A 108 GLY HAy 1.0 1.8 5.340 1570 1181 A 90 ASP H A 89 LEU HBy 1.0 1.8 3.500 1571 1181 A 89 LEU HBx A 90 ASP H 1.0 1.8 3.500 1572 1182 A 105 VAL HGy% A 89 LEU HBy 1.0 1.8 5.130 1573 1182 A 105 VAL HGy% A 89 LEU HBx 1.0 1.8 5.130 1574 1183 A 89 LEU HDx% A 106 MET HBx 1.0 1.8 5.340 1575 1183 A 89 LEU HDy% A 106 MET HBx 1.0 1.8 5.340 1576 1183 A 106 MET HBy A 89 LEU HDx% 1.0 1.8 5.340 1577 1183 A 89 LEU HDy% A 106 MET HBy 1.0 1.8 5.340 1578 1184 A 107 LEU HA A 90 ASP HBx 1.0 1.8 5.150 1579 1184 A 107 LEU HA A 90 ASP HBy 1.0 1.8 5.150 1580 1185 A 90 ASP HBy A 107 LEU HDx% 1.0 1.8 5.390 1581 1185 A 90 ASP HBx A 107 LEU HDx% 1.0 1.8 5.390 1582 1185 A 107 LEU HDy% A 90 ASP HBx 1.0 1.8 5.390 1583 1185 A 90 ASP HBy A 107 LEU HDy% 1.0 1.8 5.390 1584 1186 A 90 ASP HBy A 108 GLY HAy 1.0 1.8 3.940 1585 1186 A 108 GLY HAy A 90 ASP HBx 1.0 1.8 3.940 1586 1187 A 107 LEU H A 90 ASP HBx 1.0 1.8 4.490 1587 1187 A 90 ASP HBy A 107 LEU H 1.0 1.8 4.490 1588 1188 A 90 ASP HBx A 108 GLY HAx 1.0 1.8 3.940 1589 1188 A 90 ASP HBy A 108 GLY HAx 1.0 1.8 3.940 1590 1189 A 90 ASP H A 90 ASP HBx 1.0 1.8 3.450 1591 1189 A 90 ASP HBy A 90 ASP H 1.0 1.8 3.450 1592 1190 A 90 ASP H A 106 MET H 1.0 1.8 4.450 1593 1191 A 91 GLU H A 90 ASP HA 1.0 1.8 3.250 1594 1192 A 91 GLU H A 90 ASP HBx 1.0 1.8 3.700 1595 1192 A 91 GLU H A 90 ASP HBy 1.0 1.8 3.700 1596 1193 A 108 GLY H A 90 ASP HBx 1.0 1.8 4.630 1597 1193 A 90 ASP HBy A 108 GLY H 1.0 1.8 4.630 1598 1194 A 90 ASP H A 108 GLY H 1.0 1.8 4.360 1599 1195 A 107 LEU HA A 90 ASP H 1.0 1.8 4.570 1600 1196 A 91 GLU H A 90 ASP H 1.0 1.8 5.040 1601 1197 A 105 VAL HGy% A 90 ASP H 1.0 1.8 5.500 1602 1198 A 90 ASP H A 106 MET HBx 1.0 1.8 4.650 1603 1198 A 90 ASP H A 106 MET HBy 1.0 1.8 4.650 1604 1199 A 90 ASP HBx A 108 GLY HAx 1.0 1.8 3.400 1605 1199 A 90 ASP HBy A 108 GLY HAx 1.0 1.8 3.400 1606 1199 A 108 GLY HAy A 90 ASP HBx 1.0 1.8 3.400 1607 1199 A 90 ASP HBy A 108 GLY HAy 1.0 1.8 3.400 1608 1200 A 91 GLU HA A 105 VAL HA 1.0 1.8 4.040 1609 1201 A 106 MET H A 91 GLU HA 1.0 1.8 4.420 1610 1202 A 91 GLU HGy A 91 GLU HA 1.0 1.8 4.250 1611 1203 A 91 GLU HA A 91 GLU HGx 1.0 1.8 4.250 1612 1204 A 105 VAL HGx% A 91 GLU HA 1.0 1.8 5.380 1613 1205 A 105 VAL HGy% A 91 GLU HA 1.0 1.8 5.380 1614 1206 A 91 GLU HA A 92 ASP H 1.0 1.8 3.450 1615 1207 A 104 TYR H A 91 GLU HA 1.0 1.8 5.500 1616 1208 A 91 GLU H A 106 MET H 1.0 1.8 5.500 1617 1209 A 91 GLU H A 91 GLU HBy 1.0 1.8 3.100 1618 1209 A 91 GLU H A 91 GLU HBx 1.0 1.8 3.100 1619 1210 A 91 GLU H A 91 GLU HGx 1.0 1.8 3.430 1620 1210 A 91 GLU H A 91 GLU HGy 1.0 1.8 3.430 1621 1211 A 91 GLU HA A 91 GLU HGx 1.0 1.8 3.590 1622 1211 A 91 GLU HGy A 91 GLU HA 1.0 1.8 3.590 1623 1212 A 105 VAL HGy% A 91 GLU HA 1.0 1.8 4.430 1624 1213 A 92 ASP H A 91 GLU HBy 1.0 1.8 3.390 1625 1213 A 92 ASP H A 91 GLU HBx 1.0 1.8 3.390 1626 1214 A 103 ALA HB% A 91 GLU HBy 1.0 1.8 3.690 1627 1214 A 91 GLU HBx A 103 ALA HB% 1.0 1.8 3.690 1628 1215 A 104 TYR H A 91 GLU HBy 1.0 1.8 5.230 1629 1215 A 104 TYR H A 91 GLU HBx 1.0 1.8 5.230 1630 1216 A 92 ASP H A 91 GLU HGx 1.0 1.8 4.630 1631 1216 A 91 GLU HGy A 92 ASP H 1.0 1.8 4.630 1632 1217 A 92 ASP HA A 92 ASP HBx 1.0 1.8 2.690 1633 1217 A 92 ASP HA A 92 ASP HBy 1.0 1.8 2.690 1634 1218 A 92 ASP HA A 93 LEU H 1.0 1.8 3.390 1635 1219 A 104 TYR H A 92 ASP H 1.0 1.8 4.040 1636 1220 A 92 ASP H A 92 ASP HBx 1.0 1.8 3.690 1637 1220 A 92 ASP H A 92 ASP HBy 1.0 1.8 3.690 1638 1221 A 93 LEU H A 92 ASP HBx 1.0 1.8 3.730 1639 1221 A 92 ASP HBy A 93 LEU H 1.0 1.8 3.730 1640 1222 A 104 TYR H A 92 ASP HBx 1.0 1.8 4.400 1641 1222 A 104 TYR H A 92 ASP HBy 1.0 1.8 4.400 1642 1223 A 92 ASP H A 93 LEU H 1.0 1.8 4.480 1643 1224 A 92 ASP H A 103 ALA HB% 1.0 1.8 5.020 1644 1225 A 106 MET H A 92 ASP H 1.0 1.8 5.500 1645 1226 A 105 VAL HGy% A 92 ASP H 1.0 1.8 5.440 1646 1227 A 92 ASP H A 106 MET HGx 1.0 1.8 4.740 1647 1227 A 92 ASP H A 106 MET HGy 1.0 1.8 4.740 1648 1228 A 92 ASP HBx A 106 MET HGx 1.0 1.8 4.560 1649 1228 A 92 ASP HBy A 106 MET HGx 1.0 1.8 4.560 1650 1228 A 106 MET HGy A 92 ASP HBx 1.0 1.8 4.560 1651 1228 A 92 ASP HBy A 106 MET HGy 1.0 1.8 4.560 1652 1229 A 104 TYR H A 93 LEU HA 1.0 1.8 4.280 1653 1230 A 93 LEU HA A 93 LEU HDx% 1.0 1.8 3.790 1654 1230 A 93 LEU HA A 93 LEU HDy% 1.0 1.8 3.790 1655 1231 A 93 LEU HA A 94 TYR HBx 1.0 1.8 4.540 1656 1231 A 93 LEU HA A 94 TYR HBy 1.0 1.8 4.540 1657 1232 A 93 LEU HA A 103 ALA HA 1.0 1.8 3.820 1658 1233 A 103 ALA HA A 93 LEU HDx% 1.0 1.8 4.420 1659 1233 A 93 LEU HDy% A 103 ALA HA 1.0 1.8 4.420 1660 1234 A 93 LEU HBy A 93 LEU HDx% 1.0 1.8 3.570 1661 1234 A 93 LEU HDy% A 93 LEU HBy 1.0 1.8 3.570 1662 1235 A 93 LEU HBx A 93 LEU HDx% 1.0 1.8 3.400 1663 1235 A 93 LEU HDy% A 93 LEU HBx 1.0 1.8 3.400 1664 1236 A 103 ALA HB% A 93 LEU HA 1.0 1.8 3.860 1665 1237 A 103 ALA HB% A 93 LEU HDx% 1.0 1.8 3.490 1666 1237 A 103 ALA HB% A 93 LEU HDy% 1.0 1.8 3.490 1667 1238 A 93 LEU HBx A 94 TYR H 1.0 1.8 4.570 1668 1239 A 93 LEU HA A 103 ALA H 1.0 1.8 5.500 1669 1240 A 93 LEU H A 93 LEU HBx 1.0 1.8 3.370 1670 1241 A 93 LEU H A 93 LEU HG 1.0 1.8 3.760 1671 1242 A 93 LEU H A 93 LEU HBy 1.0 1.8 3.810 1672 1243 A 104 TYR H A 93 LEU HDx% 1.0 1.8 5.260 1673 1243 A 104 TYR H A 93 LEU HDy% 1.0 1.8 5.260 1674 1244 A 93 LEU HA A 94 TYR H 1.0 1.8 3.170 1675 1245 A 94 TYR H A 93 LEU HDx% 1.0 1.8 4.550 1676 1245 A 93 LEU HDy% A 94 TYR H 1.0 1.8 4.550 1677 1246 A 93 LEU HBy A 94 TYR H 1.0 1.8 3.490 1678 1247 A 93 LEU H A 93 LEU HDx% 1.0 1.8 3.900 1679 1247 A 93 LEU H A 93 LEU HDy% 1.0 1.8 3.900 1680 1248 A 93 LEU H A 94 TYR H 1.0 1.8 4.760 1681 1249 A 103 ALA H A 93 LEU HDx% 1.0 1.8 4.300 1682 1249 A 93 LEU HDy% A 103 ALA H 1.0 1.8 4.300 1683 1250 A 102 ILE HG2% A 94 TYR HD% 1.0 1.8 5.240 1684 1251 A 102 ILE HG2% A 94 TYR HBx 1.0 1.8 5.180 1685 1251 A 102 ILE HG2% A 94 TYR HBy 1.0 1.8 5.180 1686 1252 A 94 TYR H A 102 ILE H 1.0 1.8 4.710 1687 1253 A 94 TYR H A 94 TYR HBx 1.0 1.8 3.610 1688 1253 A 94 TYR HBy A 94 TYR H 1.0 1.8 3.610 1689 1254 A 95 ILE H A 94 TYR HBx 1.0 1.8 3.900 1690 1254 A 94 TYR HBy A 95 ILE H 1.0 1.8 3.900 1691 1255 A 102 ILE HG2% A 94 TYR H 1.0 1.8 5.500 1692 1256 A 94 TYR H A 94 TYR HD% 1.0 1.8 4.460 1693 1257 A 94 TYR H A 95 ILE HG2% 1.0 1.8 5.200 1694 1258 A 103 ALA HA A 94 TYR H 1.0 1.8 4.200 1695 1259 A 102 ILE H A 94 TYR HBx 1.0 1.8 4.190 1696 1259 A 94 TYR HBy A 102 ILE H 1.0 1.8 4.190 1697 1260 A 103 ALA HB% A 94 TYR H 1.0 1.8 4.450 1698 1261 A 94 TYR H A 95 ILE H 1.0 1.8 4.260 1699 1262 A 104 TYR H A 94 TYR H 1.0 1.8 5.360 1700 1263 A 104 TYR HD% A 94 TYR H 1.0 1.8 5.330 1701 1264 A 104 TYR HE% A 94 TYR H 1.0 1.8 4.930 1702 1265 A 104 TYR HD% A 94 TYR HBx 1.0 1.8 4.290 1703 1265 A 104 TYR HD% A 94 TYR HBy 1.0 1.8 4.290 1704 1266 A 94 TYR HD% A 95 ILE H 1.0 1.8 3.950 1705 1267 A 94 TYR HD% A 102 ILE HA 1.0 1.8 5.500 1706 1268 A 104 TYR HE% A 94 TYR HBx 1.0 1.8 3.200 1707 1268 A 104 TYR HE% A 94 TYR HBy 1.0 1.8 3.200 1708 1269 A 104 TYR HE% A 94 TYR HD% 1.0 1.8 4.350 1709 1270 A 95 ILE HG2% A 95 ILE HA 1.0 1.8 3.320 1710 1271 A 95 ILE HG2% A 95 ILE HG1y 1.0 1.8 3.800 1711 1272 A 95 ILE HD1% A 101 ALA HA 1.0 1.8 4.110 1712 1273 A 95 ILE HA A 95 ILE HD1% 1.0 1.8 3.870 1713 1274 A 95 ILE HD1% A 95 ILE HB 1.0 1.8 3.610 1714 1275 A 95 ILE HG2% A 100 GLN H 1.0 1.8 4.680 1715 1276 A 95 ILE HA A 101 ALA HB% 1.0 1.8 4.330 1716 1277 A 95 ILE HD1% A 101 ALA HB% 1.0 1.8 3.400 1717 1278 A 95 ILE HA A 101 ALA HA 1.0 1.8 4.300 1718 1279 A 95 ILE HG2% A 99 ASP HA 1.0 1.8 3.390 1719 1280 A 102 ILE H A 95 ILE HD1% 1.0 1.8 5.110 1720 1281 A 95 ILE H A 95 ILE HD1% 1.0 1.8 4.450 1721 1282 A 95 ILE HG2% A 95 ILE HG1x 1.0 1.8 3.800 1722 1283 A 95 ILE HD1% A 96 ASN H 1.0 1.8 5.500 1723 1284 A 95 ILE HD1% A 101 ALA H 1.0 1.8 5.500 1724 1285 A 95 ILE H A 95 ILE HG1x 1.0 1.8 4.860 1725 1286 A 95 ILE H A 95 ILE HG1y 1.0 1.8 4.860 1726 1287 A 95 ILE HA A 96 ASN H 1.0 1.8 3.090 1727 1288 A 102 ILE H A 95 ILE HA 1.0 1.8 4.330 1728 1289 A 95 ILE H A 95 ILE HB 1.0 1.8 3.420 1729 1290 A 95 ILE H A 95 ILE HG2% 1.0 1.8 3.800 1730 1291 A 95 ILE HA A 101 ALA H 1.0 1.8 5.500 1731 1292 A 95 ILE HG2% A 99 ASP H 1.0 1.8 4.630 1732 1293 A 95 ILE H A 96 ASN H 1.0 1.8 4.760 1733 1294 A 95 ILE HG2% A 96 ASN H 1.0 1.8 3.510 1734 1295 A 95 ILE HG2% A 101 ALA H 1.0 1.8 5.500 1735 1296 A 95 ILE H A 95 ILE HG1x 1.0 1.8 4.070 1736 1296 A 95 ILE H A 95 ILE HG1y 1.0 1.8 4.070 1737 1297 A 95 ILE HA A 95 ILE HG1x 1.0 1.8 3.540 1738 1297 A 95 ILE HA A 95 ILE HG1y 1.0 1.8 3.540 1739 1298 A 95 ILE HG2% A 95 ILE HG1x 1.0 1.8 3.110 1740 1298 A 95 ILE HG2% A 95 ILE HG1y 1.0 1.8 3.110 1741 1299 A 96 ASN H A 95 ILE HG1x 1.0 1.8 2.860 1742 1299 A 96 ASN H A 95 ILE HG1y 1.0 1.8 2.860 1743 1300 A 99 ASP HA A 95 ILE HG1x 1.0 1.8 4.270 1744 1300 A 99 ASP HA A 95 ILE HG1y 1.0 1.8 4.270 1745 1301 A 101 ALA H A 95 ILE HG1x 1.0 1.8 3.360 1746 1301 A 101 ALA H A 95 ILE HG1y 1.0 1.8 3.360 1747 1302 A 101 ALA HB% A 95 ILE HG1x 1.0 1.8 3.790 1748 1302 A 101 ALA HB% A 95 ILE HG1y 1.0 1.8 3.790 1749 1303 A 102 ILE H A 95 ILE HG1x 1.0 1.8 4.960 1750 1303 A 102 ILE H A 95 ILE HG1y 1.0 1.8 4.960 1751 1304 A 95 ILE HD1% A 98 ASN HBy 1.0 1.8 5.340 1752 1304 A 95 ILE HD1% A 98 ASN HBx 1.0 1.8 5.340 1753 1305 A 95 ILE HD1% A 99 ASP HBx 1.0 1.8 5.340 1754 1305 A 95 ILE HD1% A 99 ASP HBy 1.0 1.8 5.340 1755 1306 A 96 ASN HA A 97 ALA HB% 1.0 1.8 4.820 1756 1307 A 97 ALA HB% A 96 ASN HBx 1.0 1.8 5.500 1757 1308 A 97 ALA HB% A 96 ASN HBy 1.0 1.8 4.005 1758 1309 A 96 ASN HBy A 97 ALA H 1.0 1.8 2.850 1759 1310 A 96 ASN HBx A 97 ALA H 1.0 1.8 5.500 1760 1311 A 96 ASN H A 96 ASN HBx 1.0 1.8 4.090 1761 1312 A 96 ASN H A 96 ASN HBy 1.0 1.8 3.820 1762 1313 A 96 ASN HBy A 96 ASN HD2x 1.0 1.8 4.000 1763 1314 A 100 GLN H A 96 ASN H 1.0 1.8 4.450 1764 1315 A 96 ASN HBx A 98 ASN H 1.0 1.8 5.130 1765 1316 A 102 ILE H A 96 ASN H 1.0 1.8 5.500 1766 1317 A 96 ASN H A 100 GLN HBx 1.0 1.8 4.710 1767 1317 A 96 ASN H A 100 GLN HBy 1.0 1.8 4.710 1768 1318 A 96 ASN H A 101 ALA H 1.0 1.8 5.500 1769 1319 A 96 ASN HD2x A 100 GLN HBx 1.0 1.8 3.760 1770 1319 A 96 ASN HD2x A 100 GLN HBy 1.0 1.8 3.760 1771 1320 A 96 ASN HBy A 96 ASN HD2y 1.0 1.8 2.400 1772 1321 A 96 ASN HD2y A 100 GLN HBx 1.0 1.8 4.370 1773 1321 A 100 GLN HBy A 96 ASN HD2y 1.0 1.8 4.370 1774 1322 A 97 ALA HB% A 96 ASN HD2y 1.0 1.8 5.500 1775 1323 A 97 ALA HB% A 98 ASN H 1.0 1.8 4.040 1776 1324 A 97 ALA HB% A 97 ALA H 1.0 1.8 3.930 1777 1325 A 97 ALA H A 98 ASN H 1.0 1.8 3.870 1778 1326 A 97 ALA HB% A 98 ASN HBy 1.0 1.8 4.820 1779 1326 A 98 ASN HBx A 97 ALA HB% 1.0 1.8 4.820 1780 1327 A 98 ASN H A 98 ASN HBy 1.0 1.8 3.810 1781 1328 A 99 ASP H A 98 ASN HBy 1.0 1.8 4.850 1782 1329 A 99 ASP H A 98 ASN HBx 1.0 1.8 4.850 1783 1330 A 98 ASN HBx A 98 ASN H 1.0 1.8 3.810 1784 1331 A 99 ASP H A 98 ASN H 1.0 1.8 4.290 1785 1332 A 98 ASN HD2y A 98 ASN HBy 1.0 1.8 3.820 1786 1333 A 98 ASN HBx A 98 ASN HD2y 1.0 1.8 3.820 1787 1334 A 98 ASN HD2x A 98 ASN HBy 1.0 1.8 3.820 1788 1335 A 98 ASN HBx A 98 ASN HD2x 1.0 1.8 3.820 1789 1336 A 98 ASN H A 98 ASN HBy 1.0 1.8 2.950 1790 1336 A 98 ASN HBx A 98 ASN H 1.0 1.8 2.950 1791 1337 A 98 ASN HD2x A 98 ASN HBy 1.0 1.8 2.890 1792 1337 A 98 ASN HD2y A 98 ASN HBy 1.0 1.8 2.890 1793 1337 A 98 ASN HBx A 98 ASN HD2y 1.0 1.8 2.890 1794 1337 A 98 ASN HBx A 98 ASN HD2x 1.0 1.8 2.890 1795 1338 A 99 ASP H A 98 ASN HBy 1.0 1.8 3.970 1796 1338 A 99 ASP H A 98 ASN HBx 1.0 1.8 3.970 1797 1339 A 98 ASN HBx A 100 GLN HBx 1.0 1.8 4.630 1798 1339 A 98 ASN HBy A 100 GLN HBx 1.0 1.8 4.630 1799 1339 A 100 GLN HBy A 98 ASN HBy 1.0 1.8 4.630 1800 1339 A 98 ASN HBx A 100 GLN HBy 1.0 1.8 4.630 1801 1340 A 98 ASN HBx A 100 GLN HGx 1.0 1.8 4.030 1802 1340 A 98 ASN HBy A 100 GLN HGx 1.0 1.8 4.030 1803 1340 A 100 GLN HGy A 98 ASN HBy 1.0 1.8 4.030 1804 1340 A 98 ASN HBx A 100 GLN HGy 1.0 1.8 4.030 1805 1341 A 98 ASN HBx A 100 GLN HE2x 1.0 1.8 4.010 1806 1341 A 100 GLN HE2y A 98 ASN HBy 1.0 1.8 4.010 1807 1341 A 98 ASN HBx A 100 GLN HE2y 1.0 1.8 4.010 1808 1341 A 98 ASN HBy A 100 GLN HE2x 1.0 1.8 4.010 1809 1342 A 98 ASN HD2y A 100 GLN HGy 1.0 1.8 4.490 1810 1342 A 98 ASN HD2x A 100 GLN HGy 1.0 1.8 4.490 1811 1342 A 98 ASN HD2y A 100 GLN HGx 1.0 1.8 4.490 1812 1342 A 98 ASN HD2x A 100 GLN HGx 1.0 1.8 4.490 1813 1343 A 99 ASP H A 99 ASP HBx 1.0 1.8 4.160 1814 1344 A 100 GLN H A 99 ASP HA 1.0 1.8 3.450 1815 1345 A 99 ASP H A 99 ASP HBy 1.0 1.8 4.160 1816 1346 A 100 GLN H A 99 ASP H 1.0 1.8 3.140 1817 1347 A 99 ASP H A 100 GLN HBx 1.0 1.8 4.690 1818 1347 A 99 ASP H A 100 GLN HBy 1.0 1.8 4.690 1819 1348 A 99 ASP H A 100 GLN HGx 1.0 1.8 4.570 1820 1348 A 99 ASP H A 100 GLN HGy 1.0 1.8 4.570 1821 1349 A 99 ASP H A 99 ASP HBx 1.0 1.8 3.580 1822 1349 A 99 ASP H A 99 ASP HBy 1.0 1.8 3.580 1823 1350 A 100 GLN HA A 100 GLN HGx 1.0 1.8 3.750 1824 1350 A 100 GLN HGy A 100 GLN HA 1.0 1.8 3.750 1825 1351 A 101 ALA H A 100 GLN HBx 1.0 1.8 3.470 1826 1351 A 101 ALA H A 100 GLN HBy 1.0 1.8 3.470 1827 1352 A 100 GLN H A 101 ALA H 1.0 1.8 4.160 1828 1353 A 100 GLN H A 100 GLN HGx 1.0 1.8 3.440 1829 1353 A 100 GLN H A 100 GLN HGy 1.0 1.8 3.440 1830 1354 A 100 GLN H A 100 GLN HBx 1.0 1.8 3.090 1831 1354 A 100 GLN H A 100 GLN HBy 1.0 1.8 3.090 1832 1355 A 102 ILE HA A 101 ALA HB% 1.0 1.8 4.540 1833 1356 A 102 ILE HG2% A 101 ALA HA 1.0 1.8 5.500 1834 1357 A 101 ALA HB% A 101 ALA H 1.0 1.8 3.170 1835 1358 A 102 ILE H A 101 ALA HB% 1.0 1.8 3.630 1836 1359 A 102 ILE H A 101 ALA HA 1.0 1.8 3.260 1837 1360 A 102 ILE H A 101 ALA H 1.0 1.8 4.540 1838 1361 A 102 ILE HD1% A 102 ILE HA 1.0 1.8 3.820 1839 1362 A 102 ILE HG2% A 102 ILE HG1y 1.0 1.8 3.800 1840 1363 A 102 ILE HG2% A 102 ILE HD1% 1.0 1.8 3.110 1841 1364 A 102 ILE HG2% A 102 ILE HG1x 1.0 1.8 3.800 1842 1365 A 102 ILE HG2% A 102 ILE HA 1.0 1.8 3.780 1843 1366 A 102 ILE HG2% A 102 ILE H 1.0 1.8 3.060 1844 1367 A 102 ILE HG2% A 104 TYR HD% 1.0 1.8 5.310 1845 1368 A 102 ILE HD1% A 102 ILE HB 1.0 1.8 3.300 1846 1369 A 102 ILE HA A 102 ILE HG1y 1.0 1.8 4.130 1847 1370 A 102 ILE HA A 102 ILE HG1x 1.0 1.8 4.130 1848 1371 A 103 ALA H A 102 ILE HG1x 1.0 1.8 5.080 1849 1372 A 103 ALA HB% A 102 ILE HA 1.0 1.8 4.450 1850 1373 A 102 ILE HG2% A 104 TYR HBx 1.0 1.8 5.500 1851 1373 A 102 ILE HG2% A 104 TYR HBy 1.0 1.8 5.500 1852 1374 A 102 ILE HD1% A 102 ILE H 1.0 1.8 4.880 1853 1375 A 102 ILE H A 102 ILE HB 1.0 1.8 3.850 1854 1376 A 103 ALA H A 102 ILE HB 1.0 1.8 4.430 1855 1377 A 102 ILE HG2% A 103 ALA H 1.0 1.8 3.600 1856 1378 A 103 ALA H A 102 ILE H 1.0 1.8 4.480 1857 1379 A 103 ALA H A 102 ILE HA 1.0 1.8 3.210 1858 1380 A 103 ALA H A 102 ILE HG1y 1.0 1.8 5.080 1859 1381 A 102 ILE HD1% A 103 ALA H 1.0 1.8 4.520 1860 1382 A 102 ILE HG2% A 104 TYR HE% 1.0 1.8 2.910 1861 1383 A 102 ILE H A 102 ILE HG1x 1.0 1.8 4.570 1862 1383 A 102 ILE H A 102 ILE HG1y 1.0 1.8 4.570 1863 1384 A 102 ILE HA A 102 ILE HG1x 1.0 1.8 3.540 1864 1384 A 102 ILE HA A 102 ILE HG1y 1.0 1.8 3.540 1865 1385 A 102 ILE HG2% A 102 ILE HG1x 1.0 1.8 3.290 1866 1385 A 102 ILE HG2% A 102 ILE HG1y 1.0 1.8 3.290 1867 1386 A 103 ALA H A 102 ILE HG1x 1.0 1.8 4.380 1868 1386 A 103 ALA H A 102 ILE HG1y 1.0 1.8 4.380 1869 1387 A 104 TYR H A 103 ALA HA 1.0 1.8 3.060 1870 1388 A 104 TYR H A 103 ALA HB% 1.0 1.8 3.610 1871 1389 A 103 ALA HB% A 103 ALA H 1.0 1.8 3.120 1872 1390 A 104 TYR H A 103 ALA H 1.0 1.8 4.760 1873 1391 A 104 TYR HA A 105 VAL HB 1.0 1.8 4.890 1874 1392 A 104 TYR HA A 104 TYR HBx 1.0 1.8 2.670 1875 1392 A 104 TYR HA A 104 TYR HBy 1.0 1.8 2.670 1876 1393 A 104 TYR H A 104 TYR HBx 1.0 1.8 3.680 1877 1393 A 104 TYR HBy A 104 TYR H 1.0 1.8 3.680 1878 1394 A 105 VAL H A 104 TYR HD% 1.0 1.8 4.520 1879 1395 A 104 TYR H A 104 TYR HE% 1.0 1.8 5.360 1880 1396 A 105 VAL H A 104 TYR HBx 1.0 1.8 3.580 1881 1396 A 105 VAL H A 104 TYR HBy 1.0 1.8 3.580 1882 1397 A 104 TYR HA A 104 TYR HD% 1.0 1.8 3.820 1883 1398 A 104 TYR H A 104 TYR HD% 1.0 1.8 3.890 1884 1399 A 105 VAL HGy% A 104 TYR HA 1.0 1.8 5.090 1885 1400 A 105 VAL HB A 105 VAL H 1.0 1.8 3.490 1886 1401 A 106 MET H A 105 VAL HA 1.0 1.8 2.940 1887 1402 A 105 VAL HGy% A 105 VAL H 1.0 1.8 2.840 1888 1403 A 105 VAL HGy% A 106 MET H 1.0 1.8 3.210 1889 1404 A 106 MET HA A 107 LEU HDx% 1.0 1.8 4.350 1890 1404 A 107 LEU HDy% A 106 MET HA 1.0 1.8 4.350 1891 1405 A 106 MET H A 106 MET HGx 1.0 1.8 4.500 1892 1406 A 106 MET H A 106 MET HGy 1.0 1.8 4.500 1893 1407 A 106 MET HA A 107 LEU HG 1.0 1.8 5.470 1894 1408 A 107 LEU H A 106 MET HA 1.0 1.8 3.560 1895 1409 A 107 LEU H A 106 MET H 1.0 1.8 5.260 1896 1410 A 106 MET H A 106 MET HBx 1.0 1.8 3.530 1897 1410 A 106 MET HBy A 106 MET H 1.0 1.8 3.530 1898 1411 A 106 MET H A 106 MET HGx 1.0 1.8 3.740 1899 1411 A 106 MET H A 106 MET HGy 1.0 1.8 3.740 1900 1412 A 106 MET HBx A 106 MET HGx 1.0 1.8 2.230 1901 1412 A 106 MET HBy A 106 MET HGx 1.0 1.8 2.230 1902 1412 A 106 MET HGy A 106 MET HBx 1.0 1.8 2.230 1903 1412 A 106 MET HBy A 106 MET HGy 1.0 1.8 2.230 1904 1413 A 107 LEU H A 106 MET HBx 1.0 1.8 3.220 1905 1413 A 106 MET HBy A 107 LEU H 1.0 1.8 3.220 1906 1414 A 107 LEU HA A 106 MET HBx 1.0 1.8 4.780 1907 1414 A 107 LEU HA A 106 MET HBy 1.0 1.8 4.780 1908 1415 A 106 MET HBx A 107 LEU HDx% 1.0 1.8 4.460 1909 1415 A 106 MET HBy A 107 LEU HDx% 1.0 1.8 4.460 1910 1415 A 107 LEU HDy% A 106 MET HBx 1.0 1.8 4.460 1911 1415 A 106 MET HBy A 107 LEU HDy% 1.0 1.8 4.460 1912 1416 A 107 LEU H A 106 MET HGx 1.0 1.8 4.350 1913 1416 A 107 LEU H A 106 MET HGy 1.0 1.8 4.350 1914 1417 A 107 LEU HA A 107 LEU HDx% 1.0 1.8 4.000 1915 1417 A 107 LEU HA A 107 LEU HDy% 1.0 1.8 4.000 1916 1418 A 107 LEU HA A 107 LEU HBx 1.0 1.8 2.690 1917 1418 A 107 LEU HA A 107 LEU HBy 1.0 1.8 2.690 1918 1419 A 111 ALA HB% A 107 LEU HDx% 1.0 1.8 2.880 1919 1419 A 111 ALA HB% A 107 LEU HDy% 1.0 1.8 2.880 1920 1420 A 111 ALA HB% A 107 LEU HG 1.0 1.8 3.810 1921 1421 A 111 ALA HB% A 107 LEU HA 1.0 1.8 4.630 1922 1422 A 107 LEU H A 107 LEU HBx 1.0 1.8 3.070 1923 1422 A 107 LEU H A 107 LEU HBy 1.0 1.8 3.070 1924 1423 A 108 GLY H A 107 LEU H 1.0 1.8 4.960 1925 1424 A 108 GLY H A 107 LEU HDx% 1.0 1.8 4.830 1926 1424 A 108 GLY H A 107 LEU HDy% 1.0 1.8 4.830 1927 1425 A 112 GLN H A 107 LEU HDx% 1.0 1.8 5.500 1928 1425 A 107 LEU HDy% A 112 GLN H 1.0 1.8 5.500 1929 1426 A 107 LEU H A 107 LEU HDx% 1.0 1.8 3.780 1930 1426 A 107 LEU HDy% A 107 LEU H 1.0 1.8 3.780 1931 1427 A 107 LEU H A 107 LEU HG 1.0 1.8 4.210 1932 1428 A 108 GLY H A 107 LEU HG 1.0 1.8 4.840 1933 1429 A 108 GLY H A 107 LEU HBx 1.0 1.8 4.000 1934 1429 A 108 GLY H A 107 LEU HBy 1.0 1.8 4.000 1935 1430 A 109 ASN H A 108 GLY H 1.0 1.8 4.800 1936 1431 A 111 ALA HB% A 108 GLY H 1.0 1.8 4.300 1937 1432 A 109 ASN H A 110 LYS H 1.0 1.8 4.330 1938 1433 A 109 ASN H A 111 ALA HB% 1.0 1.8 5.010 1939 1434 A 109 ASN HBx A 109 ASN HD2x 1.0 1.8 3.130 1940 1434 A 109 ASN HBy A 109 ASN HD2x 1.0 1.8 3.130 1941 1434 A 109 ASN HD2y A 109 ASN HBx 1.0 1.8 3.130 1942 1434 A 109 ASN HD2y A 109 ASN HBy 1.0 1.8 3.130 1943 1435 A 110 LYS H A 109 ASN HBx 1.0 1.8 4.400 1944 1435 A 110 LYS H A 109 ASN HBy 1.0 1.8 4.400 1945 1436 A 111 ALA H A 109 ASN HBx 1.0 1.8 5.340 1946 1436 A 111 ALA H A 109 ASN HBy 1.0 1.8 5.340 1947 1437 A 110 LYS H A 109 ASN HD2x 1.0 1.8 5.230 1948 1437 A 110 LYS H A 109 ASN HD2y 1.0 1.8 5.230 1949 1438 A 110 LYS HGx A 109 ASN HD2x 1.0 1.8 5.340 1950 1438 A 110 LYS HGx A 109 ASN HD2y 1.0 1.8 5.340 1951 1439 A 110 LYS HGy A 110 LYS H 1.0 1.8 4.280 1952 1440 A 110 LYS HBy A 113 THR HB 1.0 1.8 5.020 1953 1441 A 110 LYS HGx A 110 LYS HEx 1.0 1.8 3.960 1954 1441 A 110 LYS HGx A 110 LYS HEy 1.0 1.8 3.960 1955 1442 A 110 LYS HGx A 110 LYS HA 1.0 1.8 4.250 1956 1443 A 110 LYS HBy A 110 LYS HA 1.0 1.8 2.790 1957 1444 A 110 LYS HGy A 110 LYS HEx 1.0 1.8 2.400 1958 1444 A 110 LYS HGy A 110 LYS HEy 1.0 1.8 2.400 1959 1445 A 110 LYS HGy A 110 LYS HA 1.0 1.8 4.030 1960 1446 A 110 LYS HBx A 110 LYS HEx 1.0 1.8 5.370 1961 1446 A 110 LYS HEy A 110 LYS HBx 1.0 1.8 5.370 1962 1447 A 110 LYS HBx A 110 LYS H 1.0 1.8 3.270 1963 1448 A 110 LYS HBx A 111 ALA H 1.0 1.8 4.030 1964 1449 A 110 LYS H A 111 ALA H 1.0 1.8 3.470 1965 1450 A 110 LYS HBy A 110 LYS H 1.0 1.8 3.690 1966 1451 A 110 LYS HBy A 113 THR H 1.0 1.8 4.610 1967 1452 A 110 LYS HGx A 110 LYS H 1.0 1.8 3.390 1968 1453 A 110 LYS H A 111 ALA HA 1.0 1.8 4.820 1969 1454 A 111 ALA HB% A 114 VAL H 1.0 1.8 5.500 1970 1455 A 111 ALA HA A 114 VAL HB 1.0 1.8 5.230 1971 1456 A 111 ALA HA A 114 VAL H 1.0 1.8 5.200 1972 1457 A 111 ALA HB% A 112 GLN H 1.0 1.8 3.800 1973 1458 A 111 ALA HA A 113 THR H 1.0 1.8 4.440 1974 1459 A 111 ALA HB% A 111 ALA H 1.0 1.8 3.090 1975 1460 A 111 ALA H A 112 GLN H 1.0 1.8 3.820 1976 1461 A 111 ALA HB% A 113 THR H 1.0 1.8 5.110 1977 1462 A 111 ALA H A 112 GLN HGx 1.0 1.8 5.130 1978 1462 A 111 ALA H A 112 GLN HGy 1.0 1.8 5.130 1979 1463 A 111 ALA H A 112 GLN HBx 1.0 1.8 5.010 1980 1463 A 111 ALA H A 112 GLN HBy 1.0 1.8 5.010 1981 1464 A 111 ALA HB% A 112 GLN HBx 1.0 1.8 4.490 1982 1464 A 111 ALA HB% A 112 GLN HBy 1.0 1.8 4.490 1983 1465 A 112 GLN HA A 115 LEU HDx% 1.0 1.8 3.470 1984 1465 A 112 GLN HA A 115 LEU HDy% 1.0 1.8 3.470 1985 1466 A 112 GLN HA A 112 GLN HGx 1.0 1.8 3.960 1986 1466 A 112 GLN HGy A 112 GLN HA 1.0 1.8 3.960 1987 1467 A 112 GLN HE2x A 112 GLN HGx 1.0 1.8 4.090 1988 1467 A 112 GLN HGy A 112 GLN HE2x 1.0 1.8 4.090 1989 1468 A 112 GLN HE2y A 112 GLN HGx 1.0 1.8 4.090 1990 1468 A 112 GLN HGy A 112 GLN HE2y 1.0 1.8 4.090 1991 1469 A 112 GLN HA A 115 LEU H 1.0 1.8 4.360 1992 1470 A 114 VAL HB A 112 GLN HA 1.0 1.8 4.720 1993 1471 A 112 GLN HA A 116 ASN H 1.0 1.8 5.500 1994 1472 A 112 GLN HE2y A 116 ASN HBx 1.0 1.8 3.750 1995 1472 A 112 GLN HE2y A 116 ASN HBy 1.0 1.8 3.750 1996 1473 A 112 GLN HGx A 115 LEU HDx% 1.0 1.8 5.500 1997 1473 A 112 GLN HGy A 115 LEU HDx% 1.0 1.8 5.500 1998 1473 A 115 LEU HDy% A 112 GLN HGx 1.0 1.8 5.500 1999 1473 A 112 GLN HGy A 115 LEU HDy% 1.0 1.8 5.500 2000 1474 A 113 THR HG2% A 112 GLN HGx 1.0 1.8 5.500 2001 1474 A 112 GLN HGy A 113 THR HG2% 1.0 1.8 5.500 2002 1475 A 112 GLN H A 113 THR H 1.0 1.8 4.010 2003 1476 A 113 THR H A 112 GLN HGx 1.0 1.8 4.290 2004 1476 A 113 THR H A 112 GLN HGy 1.0 1.8 4.290 2005 1477 A 112 GLN H A 115 LEU HDx% 1.0 1.8 5.500 2006 1477 A 112 GLN H A 115 LEU HDy% 1.0 1.8 5.500 2007 1478 A 112 GLN H A 114 VAL H 1.0 1.8 4.960 2008 1479 A 112 GLN HE2x A 116 ASN H 1.0 1.8 4.830 2009 1480 A 112 GLN HE2y A 116 ASN H 1.0 1.8 4.830 2010 1481 A 112 GLN H A 112 GLN HGx 1.0 1.8 4.170 2011 1481 A 112 GLN H A 112 GLN HGy 1.0 1.8 4.170 2012 1482 A 112 GLN HE2x A 116 ASN HBx 1.0 1.8 3.750 2013 1482 A 112 GLN HE2x A 116 ASN HBy 1.0 1.8 3.750 2014 1483 A 116 ASN H A 112 GLN HGx 1.0 1.8 5.500 2015 1483 A 112 GLN HGy A 116 ASN H 1.0 1.8 5.500 2016 1484 A 112 GLN H A 112 GLN HBx 1.0 1.8 3.290 2017 1484 A 112 GLN H A 112 GLN HBy 1.0 1.8 3.290 2018 1485 A 112 GLN HE2x A 112 GLN HBx 1.0 1.8 4.490 2019 1485 A 112 GLN HBy A 112 GLN HE2x 1.0 1.8 4.490 2020 1485 A 112 GLN HBy A 112 GLN HE2y 1.0 1.8 4.490 2021 1485 A 112 GLN HE2y A 112 GLN HBx 1.0 1.8 4.490 2022 1486 A 113 THR H A 112 GLN HBx 1.0 1.8 4.010 2023 1486 A 113 THR H A 112 GLN HBy 1.0 1.8 4.010 2024 1487 A 112 GLN HBx A 115 LEU HDx% 1.0 1.8 3.690 2025 1487 A 112 GLN HBy A 115 LEU HDx% 1.0 1.8 3.690 2026 1487 A 115 LEU HDy% A 112 GLN HBx 1.0 1.8 3.690 2027 1487 A 112 GLN HBy A 115 LEU HDy% 1.0 1.8 3.690 2028 1488 A 112 GLN HE2y A 113 THR HA 1.0 1.8 4.030 2029 1488 A 112 GLN HE2x A 113 THR HA 1.0 1.8 4.030 2030 1489 A 112 GLN HE2y A 116 ASN H 1.0 1.8 4.170 2031 1489 A 112 GLN HE2x A 116 ASN H 1.0 1.8 4.170 2032 1490 A 112 GLN HE2y A 116 ASN HBy 1.0 1.8 3.150 2033 1490 A 112 GLN HE2y A 116 ASN HBx 1.0 1.8 3.150 2034 1490 A 112 GLN HE2x A 116 ASN HBy 1.0 1.8 3.150 2035 1490 A 112 GLN HE2x A 116 ASN HBx 1.0 1.8 3.150 2036 1491 A 119 LEU H A 113 THR HG2% 1.0 1.8 4.250 2037 1492 A 113 THR HG2% A 113 THR HA 1.0 1.8 3.450 2038 1493 A 113 THR HG2% A 118 ASN HBx 1.0 1.8 3.700 2039 1494 A 113 THR HG2% A 118 ASN HBy 1.0 1.8 3.700 2040 1495 A 113 THR HA A 116 ASN HBx 1.0 1.8 4.190 2041 1495 A 116 ASN HBy A 113 THR HA 1.0 1.8 4.190 2042 1496 A 113 THR HG2% A 118 ASN HA 1.0 1.8 4.850 2043 1497 A 113 THR HB A 113 THR H 1.0 1.8 3.500 2044 1498 A 113 THR HB A 119 LEU HBy 1.0 1.8 3.590 2045 1499 A 113 THR HB A 114 VAL H 1.0 1.8 3.690 2046 1500 A 113 THR HG2% A 118 ASN H 1.0 1.8 4.330 2047 1501 A 113 THR H A 116 ASN HBx 1.0 1.8 5.370 2048 1501 A 113 THR H A 116 ASN HBy 1.0 1.8 5.370 2049 1502 A 113 THR H A 113 THR HG2% 1.0 1.8 3.870 2050 1503 A 114 VAL H A 113 THR HG2% 1.0 1.8 3.950 2051 1504 A 116 ASN H A 113 THR HA 1.0 1.8 4.040 2052 1505 A 113 THR H A 115 LEU H 1.0 1.8 4.650 2053 1506 A 113 THR H A 116 ASN H 1.0 1.8 5.200 2054 1507 A 113 THR HG2% A 117 GLY H 1.0 1.8 4.800 2055 1508 A 113 THR H A 114 VAL HGy% 1.0 1.8 4.230 2056 1509 A 113 THR HA A 114 VAL HGy% 1.0 1.8 5.440 2057 1510 A 113 THR HA A 118 ASN HBx 1.0 1.8 4.560 2058 1510 A 113 THR HA A 118 ASN HBy 1.0 1.8 4.560 2059 1511 A 113 THR HB A 114 VAL HGy% 1.0 1.8 4.050 2060 1512 A 119 LEU HDx% A 113 THR HB 1.0 1.8 5.220 2061 1513 A 119 LEU HDx% A 113 THR HG2% 1.0 1.8 4.480 2062 1514 A 114 VAL HGy% A 114 VAL HA 1.0 1.8 3.830 2063 1515 A 114 VAL HA A 114 VAL HGx% 1.0 1.8 3.830 2064 1516 A 114 VAL H A 114 VAL HGx% 1.0 1.8 3.910 2065 1517 A 119 LEU HBy A 114 VAL HA 1.0 1.8 3.690 2066 1518 A 114 VAL HB A 115 LEU H 1.0 1.8 3.180 2067 1519 A 119 LEU HBy A 114 VAL HGy% 1.0 1.8 3.910 2068 1520 A 114 VAL HA A 119 LEU HBx 1.0 1.8 4.900 2069 1521 A 114 VAL HB A 115 LEU HA 1.0 1.8 5.020 2070 1522 A 119 LEU HBy A 114 VAL HGx% 1.0 1.8 3.910 2071 1523 A 119 LEU H A 114 VAL HA 1.0 1.8 3.970 2072 1524 A 114 VAL H A 115 LEU HG 1.0 1.8 4.480 2073 1525 A 114 VAL H A 114 VAL HB 1.0 1.8 3.450 2074 1526 A 114 VAL H A 115 LEU H 1.0 1.8 3.660 2075 1527 A 114 VAL H A 116 ASN H 1.0 1.8 4.440 2076 1528 A 114 VAL H A 114 VAL HGy% 1.0 1.8 3.910 2077 1529 A 114 VAL HGy% A 114 VAL HA 1.0 1.8 3.130 2078 1530 A 119 LEU HDx% A 114 VAL HA 1.0 1.8 4.270 2079 1531 A 115 LEU H A 114 VAL HGy% 1.0 1.8 3.910 2080 1532 A 119 LEU HBy A 114 VAL HGy% 1.0 1.8 3.330 2081 1533 A 114 VAL HGy% A 119 LEU HG 1.0 1.8 3.710 2082 1534 A 119 LEU HDx% A 114 VAL HGx% 1.0 1.8 2.920 2083 1535 A 115 LEU HA A 115 LEU HDx% 1.0 1.8 3.330 2084 1535 A 115 LEU HDy% A 115 LEU HA 1.0 1.8 3.330 2085 1536 A 115 LEU HBy A 115 LEU HDx% 1.0 1.8 3.360 2086 1536 A 115 LEU HDy% A 115 LEU HBy 1.0 1.8 3.360 2087 1537 A 115 LEU H A 115 LEU HBx 1.0 1.8 4.090 2088 1538 A 115 LEU HA A 116 ASN HA 1.0 1.8 5.160 2089 1539 A 115 LEU HBx A 115 LEU HDx% 1.0 1.8 3.500 2090 1539 A 115 LEU HDy% A 115 LEU HBx 1.0 1.8 3.500 2091 1540 A 116 ASN H A 115 LEU HBx 1.0 1.8 3.540 2092 1541 A 116 ASN H A 115 LEU HDx% 1.0 1.8 4.260 2093 1541 A 115 LEU HDy% A 116 ASN H 1.0 1.8 4.260 2094 1542 A 117 GLY H A 115 LEU HG 1.0 1.8 5.460 2095 1543 A 115 LEU H A 115 LEU HG 1.0 1.8 2.850 2096 1544 A 115 LEU H A 115 LEU HBy 1.0 1.8 3.890 2097 1545 A 115 LEU H A 116 ASN H 1.0 1.8 3.690 2098 1546 A 116 ASN H A 115 LEU HA 1.0 1.8 3.570 2099 1547 A 116 ASN H A 115 LEU HBy 1.0 1.8 4.080 2100 1548 A 117 GLY H A 115 LEU HDx% 1.0 1.8 5.220 2101 1548 A 115 LEU HDy% A 117 GLY H 1.0 1.8 5.220 2102 1549 A 115 LEU H A 115 LEU HDx% 1.0 1.8 3.100 2103 1549 A 115 LEU HDy% A 115 LEU H 1.0 1.8 3.100 2104 1550 A 116 ASN HA A 116 ASN HBx 1.0 1.8 2.560 2105 1550 A 116 ASN HBy A 116 ASN HA 1.0 1.8 2.560 2106 1551 A 118 ASN H A 116 ASN HA 1.0 1.8 4.580 2107 1552 A 116 ASN HA A 117 GLY HAx 1.0 1.8 5.470 2108 1553 A 116 ASN HA A 117 GLY HAy 1.0 1.8 5.470 2109 1554 A 118 ASN H A 116 ASN HBx 1.0 1.8 3.670 2110 1554 A 116 ASN HBy A 118 ASN H 1.0 1.8 3.670 2111 1555 A 117 GLY H A 116 ASN HBx 1.0 1.8 3.810 2112 1555 A 116 ASN HBy A 117 GLY H 1.0 1.8 3.810 2113 1556 A 116 ASN H A 117 GLY H 1.0 1.8 3.330 2114 1557 A 116 ASN H A 116 ASN HBx 1.0 1.8 3.190 2115 1557 A 116 ASN H A 116 ASN HBy 1.0 1.8 3.190 2116 1558 A 116 ASN H A 118 ASN H 1.0 1.8 4.930 2117 1559 A 116 ASN H A 118 ASN HBx 1.0 1.8 5.210 2118 1559 A 116 ASN H A 118 ASN HBy 1.0 1.8 5.210 2119 1560 A 116 ASN HA A 117 GLY HAx 1.0 1.8 4.710 2120 1560 A 116 ASN HA A 117 GLY HAy 1.0 1.8 4.710 2121 1561 A 116 ASN HBy A 117 GLY HAx 1.0 1.8 4.500 2122 1561 A 116 ASN HBx A 117 GLY HAx 1.0 1.8 4.500 2123 1561 A 117 GLY HAy A 116 ASN HBx 1.0 1.8 4.500 2124 1561 A 116 ASN HBy A 117 GLY HAy 1.0 1.8 4.500 2125 1562 A 118 ASN H A 117 GLY H 1.0 1.8 3.570 2126 1563 A 119 LEU H A 117 GLY HAx 1.0 1.8 4.000 2127 1563 A 119 LEU H A 117 GLY HAy 1.0 1.8 4.000 2128 1564 A 119 LEU HDx% A 117 GLY HAx 1.0 1.8 3.470 2129 1564 A 119 LEU HDx% A 117 GLY HAy 1.0 1.8 3.470 2130 1565 A 118 ASN H A 119 LEU HA 1.0 1.8 5.100 2131 1566 A 119 LEU H A 118 ASN HBx 1.0 1.8 4.570 2132 1567 A 119 LEU H A 118 ASN H 1.0 1.8 3.550 2133 1568 A 119 LEU H A 118 ASN HBy 1.0 1.8 4.570 2134 1569 A 118 ASN H A 118 ASN HBx 1.0 1.8 3.860 2135 1570 A 119 LEU H A 118 ASN HA 1.0 1.8 3.490 2136 1571 A 118 ASN H A 118 ASN HBy 1.0 1.8 3.860 2137 1572 A 118 ASN H A 118 ASN HBx 1.0 1.8 3.340 2138 1572 A 118 ASN H A 118 ASN HBy 1.0 1.8 3.340 2139 1573 A 119 LEU H A 118 ASN HBx 1.0 1.8 3.960 2140 1573 A 119 LEU H A 118 ASN HBy 1.0 1.8 3.960 2141 1574 A 119 LEU HDy% A 119 LEU HA 1.0 1.8 4.090 2142 1575 A 120 LYS H A 119 LEU HA 1.0 1.8 3.420 2143 1576 A 119 LEU HDx% A 119 LEU HBx 1.0 1.8 4.070 2144 1577 A 119 LEU HDy% A 119 LEU HBx 1.0 1.8 4.070 2145 1578 A 120 LYS H A 119 LEU HBx 1.0 1.8 4.820 2146 1579 A 119 LEU HDx% A 119 LEU HA 1.0 1.8 4.090 2147 1580 A 119 LEU HDy% A 120 LYS H 1.0 1.8 4.480 2148 1581 A 120 LYS H A 119 LEU H 1.0 1.8 4.220 2149 1582 A 119 LEU HDx% A 119 LEU H 1.0 1.8 4.170 2150 1583 A 119 LEU HDy% A 119 LEU H 1.0 1.8 4.170 2151 1584 A 119 LEU H A 120 LYS HGx 1.0 1.8 4.620 2152 1584 A 119 LEU H A 120 LYS HGy 1.0 1.8 4.620 2153 1585 A 119 LEU HDx% A 120 LYS H 1.0 1.8 4.480 2154 1586 A 119 LEU H A 119 LEU HBy 1.0 1.8 3.030 2155 1587 A 119 LEU HDx% A 119 LEU HA 1.0 1.8 3.390 2156 1588 A 119 LEU HDx% A 119 LEU HBy 1.0 1.8 2.900 2157 1589 A 119 LEU HDx% A 120 LYS H 1.0 1.8 3.750 2158 1590 A 120 LYS HA A 119 LEU HDx% 1.0 1.8 4.750 2159 1591 A 119 LEU HDy% A 120 LYS HBy 1.0 1.8 5.280 2160 1591 A 119 LEU HDy% A 120 LYS HBx 1.0 1.8 5.280 2161 1592 A 120 LYS H A 120 LYS HGx 1.0 1.8 3.180 2162 1592 A 120 LYS H A 120 LYS HGy 1.0 1.8 3.180 2163 1593 A 120 LYS H A 121 VAL H 1.0 1.8 4.750 2164 1594 A 120 LYS HA A 121 VAL H 1.0 1.8 3.270 2165 1595 A 121 VAL HGy% A 120 LYS HA 1.0 1.8 5.100 2166 1596 A 121 VAL H A 120 LYS HBy 1.0 1.8 3.490 2167 1596 A 121 VAL H A 120 LYS HBx 1.0 1.8 3.490 2168 1597 A 122 ASP HA A 121 VAL HA 1.0 1.8 5.500 2169 1598 A 121 VAL HA A 122 ASP H 1.0 1.8 3.530 2170 1599 A 121 VAL HGy% A 121 VAL HA 1.0 1.8 3.620 2171 1600 A 121 VAL HA A 121 VAL HGx% 1.0 1.8 3.620 2172 1601 A 121 VAL HB A 121 VAL H 1.0 1.8 3.790 2173 1602 A 121 VAL HB A 122 ASP H 1.0 1.8 4.240 2174 1603 A 121 VAL H A 122 ASP H 1.0 1.8 4.530 2175 1604 A 122 ASP H A 121 VAL HGx% 1.0 1.8 3.640 2176 1605 A 121 VAL HGy% A 122 ASP H 1.0 1.8 3.640 2177 1606 A 121 VAL HGy% A 121 VAL H 1.0 1.8 3.450 2178 1607 A 121 VAL HGy% A 121 VAL HA 1.0 1.8 3.080 2179 1608 A 121 VAL HGy% A 122 ASP H 1.0 1.8 3.060 2180 1609 A 121 VAL HGy% A 122 ASP HBx 1.0 1.8 4.180 2181 1609 A 122 ASP HBy A 121 VAL HGy% 1.0 1.8 4.180 2182 1610 A 122 ASP HA A 123 PHE H 1.0 1.8 3.410 2183 1611 A 122 ASP H A 122 ASP HBx 1.0 1.8 3.390 2184 1611 A 122 ASP HBy A 122 ASP H 1.0 1.8 3.390 2185 1612 A 123 PHE H A 122 ASP H 1.0 1.8 4.810 2186 1613 A 123 PHE H A 122 ASP HBx 1.0 1.8 4.160 2187 1613 A 122 ASP HBy A 123 PHE H 1.0 1.8 4.160 2188 1614 A 123 PHE H A 124 MET HA 1.0 1.8 5.500 2189 1615 A 123 PHE H A 123 PHE HBx 1.0 1.8 3.980 2190 1616 A 123 PHE HD% A 123 PHE H 1.0 1.8 4.590 2191 1617 A 123 PHE HD% A 124 MET H 1.0 1.8 4.140 2192 1618 A 123 PHE HD% A 125 GLU H 1.0 1.8 5.280 2193 1619 A 123 PHE H A 123 PHE HBy 1.0 1.8 3.980 2194 1620 A 123 PHE HA A 123 PHE HD% 1.0 1.8 3.530 2195 1621 A 123 PHE HD% A 124 MET HA 1.0 1.8 5.500 2196 1622 A 124 MET H A 123 PHE HBy 1.0 1.8 4.270 2197 1622 A 123 PHE HBx A 124 MET H 1.0 1.8 4.270 2198 1623 A 124 MET HA A 124 MET HGx 1.0 1.8 3.730 2199 1623 A 124 MET HA A 124 MET HGy 1.0 1.8 3.730 2200 1624 A 124 MET HA A 125 GLU HA 1.0 1.8 5.210 2201 1625 A 124 MET H A 124 MET HBx 1.0 1.8 3.660 2202 1625 A 124 MET H A 124 MET HBy 1.0 1.8 3.660 2203 1626 A 124 MET H A 124 MET HGx 1.0 1.8 4.580 2204 1626 A 124 MET H A 124 MET HGy 1.0 1.8 4.580 2205 1627 A 124 MET H A 125 GLU H 1.0 1.8 4.740 2206 1628 A 125 GLU H A 124 MET HGx 1.0 1.8 4.670 2207 1628 A 125 GLU H A 124 MET HGy 1.0 1.8 4.670 2208 1629 A 125 GLU H A 125 GLU HGy 1.0 1.8 5.340 2209 1630 A 125 GLU H A 125 GLU HGx 1.0 1.8 5.340 2210 1631 A 126 THR HB A 125 GLU HBx 1.0 1.8 4.540 2211 1631 A 125 GLU HBy A 126 THR HB 1.0 1.8 4.540 2212 1632 A 125 GLU HA A 126 THR H 1.0 1.8 3.500 2213 1633 A 125 GLU H A 125 GLU HBx 1.0 1.8 3.630 2214 1633 A 125 GLU H A 125 GLU HBy 1.0 1.8 3.630 2215 1634 A 126 THR H A 125 GLU HBx 1.0 1.8 3.750 2216 1634 A 125 GLU HBy A 126 THR H 1.0 1.8 3.750 2217 1635 A 125 GLU H A 125 GLU HGx 1.0 1.8 4.570 2218 1635 A 125 GLU H A 125 GLU HGy 1.0 1.8 4.570 2219 1636 A 126 THR H A 125 GLU HGx 1.0 1.8 4.440 2220 1636 A 126 THR H A 125 GLU HGy 1.0 1.8 4.440 2221 1637 A 126 THR HA A 126 THR HG2% 1.0 1.8 3.720 2222 1638 A 126 THR H A 126 THR HG2% 1.0 1.8 4.090 2223 1639 A 126 THR HG2% A 127 GLU H 1.0 1.8 5.500 2224 1640 A 126 THR HB A 127 GLU H 1.0 1.8 5.500 2225 1641 A 127 GLU HA A 127 GLU HBx 1.0 1.8 2.950 2226 1641 A 127 GLU HA A 127 GLU HBy 1.0 1.8 2.950 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 LYS N A 12 THR O 1.0 2.4 3.3 2 2 A 16 LYS H A 12 THR O 1.0 1.5 2.3 3 3 A 17 SER N A 13 ASP O 1.0 2.4 3.3 4 4 A 17 SER H A 13 ASP O 1.0 1.5 2.3 5 5 A 18 ILE N A 14 ASP O 1.0 2.4 3.3 6 6 A 18 ILE H A 14 ASP O 1.0 1.5 2.3 7 7 A 19 VAL N A 15 VAL O 1.0 2.4 3.3 8 8 A 19 VAL H A 15 VAL O 1.0 1.5 2.3 9 9 A 20 ARG N A 16 LYS O 1.0 2.4 3.3 10 10 A 20 ARG H A 16 LYS O 1.0 1.5 2.3 11 11 A 21 PHE N A 17 SER O 1.0 2.4 3.3 12 12 A 21 PHE H A 17 SER O 1.0 1.5 2.3 13 13 A 22 VAL N A 18 ILE O 1.0 2.4 3.3 14 14 A 22 VAL H A 18 ILE O 1.0 1.5 2.3 15 15 A 23 GLN N A 19 VAL O 1.0 2.4 3.3 16 16 A 23 GLN H A 19 VAL O 1.0 1.5 2.3 17 17 A 24 GLU N A 20 ARG O 1.0 2.4 3.3 18 18 A 24 GLU H A 20 ARG O 1.0 1.5 2.3 19 19 A 25 HIS N A 21 PHE O 1.0 2.4 3.3 20 20 A 25 HIS H A 21 PHE O 1.0 1.5 2.3 21 21 A 49 VAL N A 45 MET O 1.0 2.4 3.3 22 22 A 49 VAL H A 45 MET O 1.0 1.5 2.3 23 23 A 50 ASP N A 46 ASN O 1.0 2.4 3.3 24 24 A 50 ASP H A 46 ASN O 1.0 1.5 2.3 25 25 A 51 ILE N A 47 MET O 1.0 2.4 3.3 26 26 A 51 ILE H A 47 MET O 1.0 1.5 2.3 27 27 A 52 PHE N A 48 LEU O 1.0 2.4 3.3 28 28 A 52 PHE H A 48 LEU O 1.0 1.5 2.3 29 29 A 53 LEU N A 49 VAL O 1.0 2.4 3.3 30 30 A 53 LEU H A 49 VAL O 1.0 1.5 2.3 31 31 A 77 GLU N A 73 ARG O 1.0 2.4 3.3 32 32 A 77 GLU H A 73 ARG O 1.0 1.5 2.3 33 33 A 78 ARG N A 74 HIS O 1.0 2.4 3.3 34 34 A 78 ARG H A 74 HIS O 1.0 1.5 2.3 35 35 A 79 LEU N A 75 ASN O 1.0 2.4 3.3 36 36 A 79 LEU H A 75 ASN O 1.0 1.5 2.3 37 37 A 80 PHE N A 76 ALA O 1.0 2.4 3.3 38 38 A 80 PHE H A 76 ALA O 1.0 1.5 2.3 39 39 A 81 LYS N A 77 GLU O 1.0 2.4 3.3 40 40 A 81 LYS H A 77 GLU O 1.0 1.5 2.3 41 41 A 82 LYS N A 78 ARG O 1.0 2.4 3.3 42 42 A 82 LYS H A 78 ARG O 1.0 1.5 2.3 43 43 A 83 LEU N A 79 LEU O 1.0 2.4 3.3 44 44 A 83 LEU H A 79 LEU O 1.0 1.5 2.3 45 45 A 84 ILE N A 80 PHE O 1.0 2.4 3.3 46 46 A 84 ILE H A 80 PHE O 1.0 1.5 2.3 47 47 A 85 LEU N A 81 LYS O 1.0 2.4 3.3 48 48 A 85 LEU H A 81 LYS O 1.0 1.5 2.3 49 49 A 114 VAL N A 110 LYS O 1.0 2.4 3.3 50 50 A 114 VAL H A 110 LYS O 1.0 1.5 2.3 51 51 A 115 LEU N A 111 ALA O 1.0 2.4 3.3 52 52 A 115 LEU H A 111 ALA O 1.0 1.5 2.3 53 53 A 106 MET H A 90 ASP O 1.0 1.3 2.5 54 54 A 90 ASP O A 106 MET N 1.0 2.3 3.5 55 55 A 106 MET O A 90 ASP N 1.0 2.3 3.5 56 56 A 104 TYR H A 92 ASP O 1.0 1.3 2.5 57 57 A 92 ASP O A 104 TYR N 1.0 2.3 3.5 58 58 A 104 TYR O A 92 ASP N 1.0 2.3 3.5 59 59 A 102 ILE H A 94 TYR O 1.0 1.3 2.5 60 60 A 94 TYR O A 102 ILE N 1.0 2.3 3.5 61 61 A 102 ILE O A 94 TYR N 1.0 2.3 3.5 62 62 A 123 PHE H A 9 ARG O 1.0 1.3 2.5 63 63 A 9 ARG O A 123 PHE N 1.0 2.3 3.5 64 64 A 123 PHE O A 9 ARG N 1.0 2.3 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 LYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -128.6 -78.6 PHI 2 2 A 8 THR N A 8 THR CA A 8 THR C A 9 ARG N 1.0 85.4 185.4 PSI 3 3 A 9 ARG N A 9 ARG CA A 9 ARG C A 10 ASP N 1.0 101.2 201.2 PSI 4 4 A 9 ARG C A 10 ASP N A 10 ASP CA A 10 ASP C 1.0 -128.3 -78.3 PHI 5 5 A 10 ASP N A 10 ASP CA A 10 ASP C A 11 VAL N 1.0 90.3 190.3 PSI 6 6 A 10 ASP C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -115.9 -65.9 PHI 7 7 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 THR N 1.0 66.4 226.4 PSI 8 8 A 11 VAL C A 12 THR N A 12 THR CA A 12 THR C 1.0 -119.8 0.2 PHI 9 9 A 12 THR N A 12 THR CA A 12 THR C A 13 ASP N 1.0 -88.5 11.5 PSI 10 10 A 12 THR C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -86.8 -36.8 PHI 11 11 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 ASP N 1.0 -91.1 8.9 PSI 12 12 A 13 ASP C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -91.0 -41.0 PHI 13 13 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 VAL N 1.0 -92.6 7.4 PSI 14 14 A 14 ASP C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -87.8 -37.8 PHI 15 15 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 LYS N 1.0 -94.8 5.2 PSI 16 16 A 15 VAL C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -85.4 -35.4 PHI 17 17 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 SER N 1.0 -90.5 9.5 PSI 18 18 A 16 LYS C A 17 SER N A 17 SER CA A 17 SER C 1.0 -89.8 -39.8 PHI 19 19 A 17 SER N A 17 SER CA A 17 SER C A 18 ILE N 1.0 -90.0 10.0 PSI 20 20 A 17 SER C A 18 ILE N A 18 ILE CA A 18 ILE C 1.0 -90.7 -40.7 PHI 21 21 A 18 ILE N A 18 ILE CA A 18 ILE C A 19 VAL N 1.0 -94.4 5.6 PSI 22 22 A 18 ILE C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -86.3 -36.3 PHI 23 23 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 ARG N 1.0 -94.3 5.7 PSI 24 24 A 19 VAL C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -84.3 -34.3 PHI 25 25 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 PHE N 1.0 -88.1 11.9 PSI 26 26 A 20 ARG C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -90.7 -40.7 PHI 27 27 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 VAL N 1.0 -93.6 6.4 PSI 28 28 A 21 PHE C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -88.7 -38.7 PHI 29 29 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 GLN N 1.0 -91.8 8.2 PSI 30 30 A 22 VAL C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -89.7 -39.7 PHI 31 31 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 GLU N 1.0 -85.9 14.1 PSI 32 32 A 23 GLN C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -95.7 -45.7 PHI 33 33 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 HIS N 1.0 -84.9 15.1 PSI 34 34 A 24 GLU C A 25 HIS N A 25 HIS CA A 25 HIS C 1.0 -109.2 -59.2 PHI 35 35 A 25 HIS N A 25 HIS CA A 25 HIS C A 26 SER N 1.0 -65.7 34.3 PSI 36 36 A 30 GLY C A 31 MET N A 31 MET CA A 31 MET C 1.0 -89.3 -39.3 PHI 37 37 A 31 MET N A 31 MET CA A 31 MET C A 32 ARG N 1.0 -84.1 15.9 PSI 38 38 A 31 MET C A 32 ARG N A 32 ARG CA A 32 ARG C 1.0 -90.9 -40.9 PHI 39 39 A 32 ARG N A 32 ARG CA A 32 ARG C A 33 ASN N 1.0 -82.8 17.2 PSI 40 40 A 42 ARG C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -159.3 -109.3 PHI 41 41 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 THR N 1.0 72.6 232.6 PSI 42 42 A 43 PHE C A 44 THR N A 44 THR CA A 44 THR C 1.0 -136.6 -36.6 PHI 43 43 A 44 THR N A 44 THR CA A 44 THR C A 45 MET N 1.0 117.9 217.9 PSI 44 44 A 44 THR C A 45 MET N A 45 MET CA A 45 MET C 1.0 -83.4 -33.4 PHI 45 45 A 45 MET N A 45 MET CA A 45 MET C A 46 ASN N 1.0 -91.7 8.3 PSI 46 46 A 45 MET C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -86.2 -36.2 PHI 47 47 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 MET N 1.0 -83.4 16.6 PSI 48 48 A 46 ASN C A 47 MET N A 47 MET CA A 47 MET C 1.0 -93.3 -43.3 PHI 49 49 A 47 MET N A 47 MET CA A 47 MET C A 48 LEU N 1.0 -87.8 12.2 PSI 50 50 A 47 MET C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -90.8 -40.8 PHI 51 51 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 VAL N 1.0 -88.7 11.3 PSI 52 52 A 48 LEU C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -89.0 -39.0 PHI 53 53 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 ASP N 1.0 -93.5 6.5 PSI 54 54 A 49 VAL C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -86.8 -36.8 PHI 55 55 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 ILE N 1.0 -90.9 9.1 PSI 56 56 A 50 ASP C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -92.6 -42.6 PHI 57 57 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 PHE N 1.0 -88.8 11.2 PSI 58 58 A 51 ILE C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -89.0 -39.0 PHI 59 59 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 LEU N 1.0 -88.9 11.1 PSI 60 60 A 52 PHE C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -112.8 -62.8 PHI 61 61 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 GLY N 1.0 -54.4 45.6 PSI 62 62 A 53 LEU C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 69.1 119.1 PHI 63 63 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 SER N 1.0 -46.1 53.9 PSI 64 64 A 54 GLY C A 55 SER N A 55 SER CA A 55 SER C 1.0 -104.2 -54.2 PHI 65 65 A 55 SER N A 55 SER CA A 55 SER C A 56 LYS N 1.0 90.5 190.5 PSI 66 66 A 56 LYS C A 57 SER N A 57 SER CA A 57 SER C 1.0 -128.5 -78.5 PHI 67 67 A 57 SER N A 57 SER CA A 57 SER C A 58 ALA N 1.0 -42.1 57.9 PSI 68 68 A 58 ALA C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -119.9 -69.9 PHI 69 69 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 ILE N 1.0 -76.4 23.6 PSI 70 70 A 64 ILE C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -112.7 -62.7 PHI 71 71 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 GLY N 1.0 78.8 178.8 PSI 72 72 A 69 SER C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -113.3 -63.3 PHI 73 73 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 TYR N 1.0 -57.4 42.6 PSI 74 74 A 70 ALA C A 71 TYR N A 71 TYR CA A 71 TYR C 1.0 -110.6 -60.6 PHI 75 75 A 71 TYR N A 71 TYR CA A 71 TYR C A 72 SER N 1.0 84.4 184.4 PSI 76 76 A 71 TYR C A 72 SER N A 72 SER CA A 72 SER C 1.0 -120.0 -70.0 PHI 77 77 A 72 SER N A 72 SER CA A 72 SER C A 73 ARG N 1.0 113.6 213.6 PSI 78 78 A 72 SER C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -84.7 -34.7 PHI 79 79 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 HIS N 1.0 -91.3 8.7 PSI 80 80 A 73 ARG C A 74 HIS N A 74 HIS CA A 74 HIS C 1.0 -88.5 -38.5 PHI 81 81 A 74 HIS N A 74 HIS CA A 74 HIS C A 75 ASN N 1.0 -82.4 17.6 PSI 82 82 A 74 HIS C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -96.5 -46.5 PHI 83 83 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 ALA N 1.0 -91.8 8.2 PSI 84 84 A 75 ASN C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -89.7 -39.7 PHI 85 85 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 GLU N 1.0 -92.4 7.6 PSI 86 86 A 76 ALA C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -86.6 -36.6 PHI 87 87 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 ARG N 1.0 -90.7 9.3 PSI 88 88 A 77 GLU C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -87.4 -37.4 PHI 89 89 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 LEU N 1.0 -94.1 5.9 PSI 90 90 A 78 ARG C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -91.5 -41.5 PHI 91 91 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 PHE N 1.0 -91.9 8.1 PSI 92 92 A 79 LEU C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -86.1 -36.1 PHI 93 93 A 80 PHE N A 80 PHE CA A 80 PHE C A 81 LYS N 1.0 -93.5 6.5 PSI 94 94 A 80 PHE C A 81 LYS N A 81 LYS CA A 81 LYS C 1.0 -90.9 -40.9 PHI 95 95 A 81 LYS N A 81 LYS CA A 81 LYS C A 82 LYS N 1.0 -88.2 11.8 PSI 96 96 A 81 LYS C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -90.7 -40.7 PHI 97 97 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 LEU N 1.0 -90.8 9.2 PSI 98 98 A 82 LYS C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -88.2 -38.2 PHI 99 99 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 ILE N 1.0 -83.7 16.3 PSI 100 100 A 83 LEU C A 84 ILE N A 84 ILE CA A 84 ILE C 1.0 -99.3 -49.3 PHI 101 101 A 84 ILE N A 84 ILE CA A 84 ILE C A 85 LEU N 1.0 -79.7 20.3 PSI 102 102 A 84 ILE C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -93.1 -43.1 PHI 103 103 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 ASP N 1.0 -79.7 20.3 PSI 104 104 A 85 LEU C A 86 ASP N A 86 ASP CA A 86 ASP C 1.0 -115.6 -65.6 PHI 105 105 A 86 ASP N A 86 ASP CA A 86 ASP C A 87 LYS N 1.0 -36.5 63.5 PSI 106 106 A 86 ASP C A 87 LYS N A 87 LYS CA A 87 LYS C 1.0 32.4 82.4 PHI 107 107 A 87 LYS N A 87 LYS CA A 87 LYS C A 88 ILE N 1.0 -16.1 83.9 PSI 108 108 A 87 LYS C A 88 ILE N A 88 ILE CA A 88 ILE C 1.0 -108.8 -58.8 PHI 109 109 A 88 ILE N A 88 ILE CA A 88 ILE C A 89 LEU N 1.0 -81.9 18.1 PSI 110 110 A 88 ILE C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -153.9 -103.9 PHI 111 111 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ASP N 1.0 108.8 208.8 PSI 112 112 A 89 LEU C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -158.0 -108.0 PHI 113 113 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 GLU N 1.0 101.3 201.3 PSI 114 114 A 90 ASP C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -145.8 -95.8 PHI 115 115 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 ASP N 1.0 89.6 189.6 PSI 116 116 A 91 GLU C A 92 ASP N A 92 ASP CA A 92 ASP C 1.0 -148.8 -98.8 PHI 117 117 A 92 ASP N A 92 ASP CA A 92 ASP C A 93 LEU N 1.0 80.8 180.8 PSI 118 118 A 92 ASP C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -125.3 -75.3 PHI 119 119 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 TYR N 1.0 72.3 172.3 PSI 120 120 A 93 LEU C A 94 TYR N A 94 TYR CA A 94 TYR C 1.0 -141.3 -91.3 PHI 121 121 A 94 TYR N A 94 TYR CA A 94 TYR C A 95 ILE N 1.0 80.3 180.3 PSI 122 122 A 94 TYR C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -130.8 -80.8 PHI 123 123 A 95 ILE N A 95 ILE CA A 95 ILE C A 96 ASN N 1.0 68.4 168.4 PSI 124 124 A 95 ILE C A 96 ASN N A 96 ASN CA A 96 ASN C 1.0 -113.3 -63.3 PHI 125 125 A 96 ASN N A 96 ASN CA A 96 ASN C A 97 ALA N 1.0 102.7 202.7 PSI 126 126 A 96 ASN C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -88.5 -38.5 PHI 127 127 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 ASN N 1.0 -71.1 28.9 PSI 128 128 A 97 ALA C A 98 ASN N A 98 ASN CA A 98 ASN C 1.0 -117.6 -67.6 PHI 129 129 A 98 ASN N A 98 ASN CA A 98 ASN C A 99 ASP N 1.0 -39.5 60.5 PSI 130 130 A 98 ASN C A 99 ASP N A 99 ASP CA A 99 ASP C 1.0 33.3 83.3 PHI 131 131 A 99 ASP N A 99 ASP CA A 99 ASP C A 100 GLN N 1.0 -15.7 84.3 PSI 132 132 A 99 ASP C A 100 GLN N A 100 GLN CA A 100 GLN C 1.0 -128.4 -78.4 PHI 133 133 A 100 GLN N A 100 GLN CA A 100 GLN C A 101 ALA N 1.0 54.2 214.2 PSI 134 134 A 100 GLN C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -156.5 -56.5 PHI 135 135 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 ILE N 1.0 77.3 177.3 PSI 136 136 A 101 ALA C A 102 ILE N A 102 ILE CA A 102 ILE C 1.0 -142.0 -92.0 PHI 137 137 A 102 ILE N A 102 ILE CA A 102 ILE C A 103 ALA N 1.0 87.1 187.1 PSI 138 138 A 102 ILE C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -133.1 -83.1 PHI 139 139 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 TYR N 1.0 71.2 171.2 PSI 140 140 A 103 ALA C A 104 TYR N A 104 TYR CA A 104 TYR C 1.0 -148.0 -98.0 PHI 141 141 A 104 TYR N A 104 TYR CA A 104 TYR C A 105 VAL N 1.0 103.0 203.0 PSI 142 142 A 104 TYR C A 105 VAL N A 105 VAL CA A 105 VAL C 1.0 -148.5 -98.5 PHI 143 143 A 105 VAL N A 105 VAL CA A 105 VAL C A 106 MET N 1.0 88.8 188.8 PSI 144 144 A 105 VAL C A 106 MET N A 106 MET CA A 106 MET C 1.0 -152.0 -102.0 PHI 145 145 A 106 MET N A 106 MET CA A 106 MET C A 107 LEU N 1.0 115.4 215.4 PSI 146 146 A 108 GLY C A 109 ASN N A 109 ASN CA A 109 ASN C 1.0 -84.8 -34.8 PHI 147 147 A 109 ASN N A 109 ASN CA A 109 ASN C A 110 LYS N 1.0 -79.4 20.6 PSI 148 148 A 109 ASN C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -128.0 -78.0 PHI 149 149 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 ALA N 1.0 -51.1 48.9 PSI 150 150 A 110 LYS C A 111 ALA N A 111 ALA CA A 111 ALA C 1.0 -83.9 -33.9 PHI 151 151 A 111 ALA N A 111 ALA CA A 111 ALA C A 112 GLN N 1.0 -85.0 15.0 PSI 152 152 A 111 ALA C A 112 GLN N A 112 GLN CA A 112 GLN C 1.0 -87.4 -37.4 PHI 153 153 A 112 GLN N A 112 GLN CA A 112 GLN C A 113 THR N 1.0 -87.9 12.1 PSI 154 154 A 112 GLN C A 113 THR N A 113 THR CA A 113 THR C 1.0 -92.6 -42.6 PHI 155 155 A 113 THR N A 113 THR CA A 113 THR C A 114 VAL N 1.0 -84.9 15.1 PSI 156 156 A 113 THR C A 114 VAL N A 114 VAL CA A 114 VAL C 1.0 -94.4 -44.4 PHI 157 157 A 114 VAL N A 114 VAL CA A 114 VAL C A 115 LEU N 1.0 -87.6 12.4 PSI 158 158 A 114 VAL C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -97.8 -47.8 PHI 159 159 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 ASN N 1.0 -78.2 21.8 PSI 160 160 A 115 LEU C A 116 ASN N A 116 ASN CA A 116 ASN C 1.0 -123.0 -73.0 PHI 161 161 A 116 ASN N A 116 ASN CA A 116 ASN C A 117 GLY N 1.0 -51.1 48.9 PSI 162 162 A 116 ASN C A 117 GLY N A 117 GLY CA A 117 GLY C 1.0 53.1 103.1 PHI 163 163 A 117 GLY N A 117 GLY CA A 117 GLY C A 118 ASN N 1.0 -27.5 72.5 PSI 164 164 A 118 ASN C A 119 LEU N A 119 LEU CA A 119 LEU C 1.0 -142.3 -92.3 PHI 165 165 A 119 LEU N A 119 LEU CA A 119 LEU C A 120 LYS N 1.0 80.8 180.8 PSI 166 166 A 119 LEU C A 120 LYS N A 120 LYS CA A 120 LYS C 1.0 -128.0 -68.0 PHI 167 167 A 120 LYS N A 120 LYS CA A 120 LYS C A 121 VAL N 1.0 53.1 213.1 PSI 168 168 A 120 LYS C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -176.8 -76.8 PHI 169 169 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 ASP N 1.0 84.7 184.7 PSI 170 170 A 121 VAL C A 122 ASP N A 122 ASP CA A 122 ASP C 1.0 -141.7 -91.7 PHI 171 171 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 PHE N 1.0 82.9 182.9 PSI 172 172 A 122 ASP C A 123 PHE N A 123 PHE CA A 123 PHE C 1.0 -157.9 -107.9 PHI 173 173 A 123 PHE N A 123 PHE CA A 123 PHE C A 124 MET N 1.0 84.0 184.0 PSI 174 174 A 123 PHE C A 124 MET N A 124 MET CA A 124 MET C 1.0 -140.9 -90.9 PHI 175 175 A 124 MET N A 124 MET CA A 124 MET C A 125 GLU N 1.0 72.3 172.3 PSI 176 176 A 125 GLU C A 126 THR N A 126 THR CA A 126 THR C 1.0 -151.0 -101.0 PHI 177 177 A 126 THR N A 126 THR CA A 126 THR C A 127 GLU N 1.0 70.8 240.8 PSI stop_ save_