data_nef_c18332_2lqv save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 14 CYS SG 1 87 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 22 ALA start . . 2 A 23 ASN middle . . 3 A 24 ASN middle . . 4 A 25 GLU middle . . 5 A 26 THR middle . . 6 A 27 SER middle . . 7 A 28 LYS middle . . 8 A 29 SER middle . . 9 A 30 VAL middle . . 10 A 31 THR middle . . 11 A 32 PHE middle . . 12 A 33 PRO middle . false 13 A 34 LYS middle . . 14 A 35 CYS middle -HG . 15 A 36 GLU middle . . 16 A 37 ASP middle . . 17 A 38 LEU middle . . 18 A 39 ASP middle . . 19 A 40 ALA middle . . 20 A 41 ALA middle . . 21 A 42 GLY middle . false 22 A 43 ILE middle . . 23 A 44 ALA middle . . 24 A 45 ALA middle . . 25 A 46 SER middle . . 26 A 47 VAL middle . . 27 A 48 LYS middle . . 28 A 49 ARG middle . . 29 A 50 ASP middle . . 30 A 51 TYR middle . . 31 A 52 GLN middle . . 32 A 53 GLN middle . . 33 A 54 ASN middle . . 34 A 55 ARG middle . . 35 A 56 VAL middle . . 36 A 57 ALA middle . . 37 A 58 ARG middle . . 38 A 59 TRP middle . . 39 A 60 ALA middle . . 40 A 61 ASP middle . . 41 A 62 ASP middle . . 42 A 63 GLN middle . . 43 A 64 LYS middle . . 44 A 65 ILE middle . . 45 A 66 VAL middle . . 46 A 67 GLY middle . false 47 A 68 GLN middle . . 48 A 69 ALA middle . . 49 A 70 ASP middle . . 50 A 71 PRO middle . false 51 A 72 VAL middle . . 52 A 73 ALA middle . . 53 A 74 TRP middle . . 54 A 75 VAL middle . . 55 A 76 SER middle . . 56 A 77 LEU middle . . 57 A 78 GLN middle . . 58 A 79 ASP middle . . 59 A 80 ILE middle . . 60 A 81 GLN middle . . 61 A 82 GLY middle . false 62 A 83 LYS middle . . 63 A 84 ASP middle . . 64 A 85 ASP middle . . 65 A 86 LYS middle . . 66 A 87 TRP middle . . 67 A 88 SER middle . . 68 A 89 VAL middle . . 69 A 90 PRO middle . false 70 A 91 LEU middle . . 71 A 92 THR middle . . 72 A 93 VAL middle . . 73 A 94 ARG middle . . 74 A 95 GLY middle . false 75 A 96 LYS middle . . 76 A 97 SER middle . . 77 A 98 ALA middle . . 78 A 99 ASP middle . . 79 A 100 ILE middle . . 80 A 101 HIS middle . . 81 A 102 TYR middle . . 82 A 103 GLN middle . . 83 A 104 VAL middle . . 84 A 105 SER middle . . 85 A 106 VAL middle . . 86 A 107 ASP middle . . 87 A 108 CYS middle -HG . 88 A 109 LYS middle . . 89 A 110 ALA middle . . 90 A 111 GLY middle . false 91 A 112 MET middle . . 92 A 113 ALA middle . . 93 A 114 GLU middle . . 94 A 115 TYR middle . . 95 A 116 GLN middle . . 96 A 117 ARG middle . . 97 A 118 ARG middle . . 98 A 119 LEU middle . . 99 A 120 GLU middle . . 100 A 121 HIS middle . . 101 A 122 HIS middle . . 102 A 123 HIS middle . . 103 A 124 HIS middle . . 104 A 125 HIS middle . . 105 A 126 HIS 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 23 ASN HBx H 1 2.862 0 A 23 ASN HBy H 1 2.862 0 A 23 ASN CA C 13 53.576 0.003 A 23 ASN CB C 13 38.913 0.028 A 24 ASN H H 1 8.546 0 A 24 ASN HBy H 1 3.195 0 A 24 ASN HBx H 1 2.846 0 A 24 ASN C C 13 175.201 0.017 A 24 ASN CA C 13 53.609 0 A 24 ASN CB C 13 38.885 0 A 24 ASN N N 15 119.074 0 A 25 GLU H H 1 8.431 0 A 25 GLU HA H 1 4.512 0 A 25 GLU HBy H 1 2.134 0 A 25 GLU HBx H 1 2.046 0 A 25 GLU HGx H 1 2.315 0 A 25 GLU HGy H 1 2.315 0 A 25 GLU C C 13 176.957 0.025 A 25 GLU CA C 13 57.107 0.046 A 25 GLU CB C 13 30.502 0.03 A 25 GLU CG C 13 36.534 0 A 25 GLU N N 15 120.681 0 A 26 THR H H 1 8.198 0 A 26 THR HA H 1 4.332 0 A 26 THR HG2% H 1 1.258 0 A 26 THR C C 13 174.268 0.015 A 26 THR CA C 13 61.97 0 A 26 THR CB C 13 70.089 0 A 26 THR CG2 C 13 21.885 0 A 26 THR N N 15 113.493 0 A 27 SER H H 1 8.18 0 A 27 SER HA H 1 5.077 0.001 A 27 SER HBy H 1 3.9 0 A 27 SER HBx H 1 3.037 0 A 27 SER C C 13 174.087 0 A 27 SER CA C 13 57.821 0 A 27 SER CB C 13 64.827 0 A 27 SER N N 15 117.653 0 A 29 SER HA H 1 5.455 0.003 A 29 SER HBx H 1 3.87 0 A 29 SER HBy H 1 3.87 0 A 29 SER C C 13 174.725 0 A 29 SER CA C 13 57.885 0.041 A 29 SER CB C 13 63.99 0 A 30 VAL H H 1 9.435 0 A 30 VAL HA H 1 5.002 0.012 A 30 VAL HB H 1 2.504 0 A 30 VAL HGx% H 1 1.028 0 A 30 VAL HGy% H 1 1.141 0.008 A 30 VAL C C 13 175.3 0.004 A 30 VAL CA C 13 58.828 0.055 A 30 VAL CB C 13 36.058 0.002 A 30 VAL CGy C 13 21.93 0 A 30 VAL CGx C 13 19.539 0.082 A 30 VAL N N 15 118.961 0.024 A 31 THR H H 1 8.284 0.001 A 31 THR HA H 1 4.726 0.023 A 31 THR HB H 1 4.202 0.018 A 31 THR HG2% H 1 1.084 0.018 A 31 THR C C 13 173.102 0.026 A 31 THR CA C 13 63.291 0.042 A 31 THR CB C 13 69.49 0.057 A 31 THR CG2 C 13 22.472 0.04 A 31 THR N N 15 116.623 0.013 A 32 PHE H H 1 8.029 0.002 A 32 PHE HA H 1 4.167 0 A 32 PHE HBy H 1 2.794 0 A 32 PHE HBx H 1 2.562 0 A 32 PHE HDx H 1 7.125 0.066 A 32 PHE HDy H 1 7.202 0.02 A 32 PHE HEy H 1 6.765 0.007 A 32 PHE HZ H 1 7.36 0 A 32 PHE C C 13 172.082 0 A 32 PHE CA C 13 55.403 0 A 32 PHE CB C 13 39.318 0.032 A 32 PHE CDy C 13 133.06 0 A 32 PHE CDx C 13 132.858 0.084 A 32 PHE CEy C 13 129.053 0.068 A 32 PHE N N 15 129.214 0.04 A 33 PRO HA H 1 4.13 0 A 33 PRO HBy H 1 2.239 0 A 33 PRO HBx H 1 1.768 0 A 33 PRO HDx H 1 3.108 0 A 33 PRO HDy H 1 3.108 0 A 33 PRO HGy H 1 1.543 0 A 33 PRO HGx H 1 1.336 0 A 33 PRO CA C 13 62.885 0 A 33 PRO CB C 13 31.435 0 A 33 PRO CD C 13 50.101 0 A 33 PRO CG C 13 27.409 0 A 34 LYS H H 1 7.98 0.004 A 34 LYS HA H 1 4.172 0 A 34 LYS HBy H 1 2.207 0 A 34 LYS HBx H 1 1.751 0 A 34 LYS HDx H 1 1.754 0 A 34 LYS HDy H 1 1.754 0 A 34 LYS HEx H 1 3.056 0 A 34 LYS HEy H 1 3.056 0.001 A 34 LYS HGx H 1 1.425 0 A 34 LYS HGy H 1 1.679 0 A 34 LYS CA C 13 58.877 0.004 A 34 LYS CB C 13 31.852 0.036 A 34 LYS CD C 13 29.371 0 A 34 LYS CE C 13 42.047 0 A 34 LYS CG C 13 25.607 0 A 34 LYS N N 15 120.291 0.032 A 35 CYS H H 1 8.056 0.006 A 35 CYS HA H 1 5.081 0.016 A 35 CYS HBy H 1 3.925 0 A 35 CYS HBx H 1 3.075 0 A 35 CYS CA C 13 54.045 0.002 A 35 CYS CB C 13 40.904 0.031 A 35 CYS N N 15 116.206 0.024 A 36 GLU H H 1 8.949 0.003 A 36 GLU HA H 1 4.017 0 A 36 GLU HBy H 1 2.123 0 A 36 GLU HBx H 1 2.002 0 A 36 GLU HGx H 1 2.221 0 A 36 GLU HGy H 1 2.221 0 A 36 GLU CA C 13 59.377 0.006 A 36 GLU CB C 13 29.852 0.03 A 36 GLU CG C 13 37.052 0 A 36 GLU N N 15 122.11 0.036 A 37 ASP H H 1 8.947 0.002 A 37 ASP HA H 1 4.586 0 A 37 ASP HBx H 1 2.831 0 A 37 ASP HBy H 1 2.831 0 A 37 ASP CA C 13 54.947 0 A 37 ASP CB C 13 40.051 0 A 37 ASP N N 15 115.46 0.027 A 38 LEU H H 1 7.468 0.004 A 38 LEU HA H 1 4.55 0.002 A 38 LEU HBy H 1 1.782 0 A 38 LEU HBx H 1 1.479 0 A 38 LEU HDx% H 1 0.766 0 A 38 LEU HDy% H 1 0.766 0 A 38 LEU HG H 1 1.653 0 A 38 LEU CA C 13 54.8 0.1 A 38 LEU CB C 13 43.291 0.022 A 38 LEU CDy C 13 25.597 0 A 38 LEU CDx C 13 22.78 0 A 38 LEU CG C 13 26.593 0 A 38 LEU N N 15 119.514 0.05 A 39 ASP H H 1 7.645 0.001 A 39 ASP HA H 1 4.831 0 A 39 ASP HBy H 1 3.192 0 A 39 ASP HBx H 1 2.846 0 A 39 ASP CA C 13 51.261 0 A 39 ASP CB C 13 41.863 0 A 39 ASP N N 15 118.819 0.009 A 40 ALA H H 1 8.457 0.003 A 40 ALA HA H 1 3.202 0 A 40 ALA HB% H 1 1.43 0 A 40 ALA CA C 13 55.69 0.002 A 40 ALA CB C 13 18.317 0.041 A 40 ALA N N 15 120.945 0.027 A 41 ALA H H 1 7.944 0.002 A 41 ALA HA H 1 3.921 0 A 41 ALA HB% H 1 1.417 0 A 41 ALA CA C 13 55.042 0.069 A 41 ALA CB C 13 17.773 0.115 A 41 ALA N N 15 117.582 0.005 A 42 GLY H H 1 8.278 0.003 A 42 GLY HAy H 1 3.933 0 A 42 GLY HAx H 1 3.768 0 A 42 GLY CA C 13 47.069 0.02 A 42 GLY N N 15 109.614 0.015 A 43 ILE H H 1 8.631 0.001 A 43 ILE HA H 1 3.731 0 A 43 ILE HB H 1 1.188 0 A 43 ILE HD1% H 1 0.393 0 A 43 ILE HG1y H 1 0.647 0 A 43 ILE HG1x H 1 -0.16 0 A 43 ILE HG2% H 1 0.224 0 A 43 ILE CA C 13 61.614 0.017 A 43 ILE CB C 13 35.84 0.004 A 43 ILE CD1 C 13 11.874 0 A 43 ILE CG1 C 13 26.384 0 A 43 ILE CG2 C 13 17.602 0 A 43 ILE N N 15 126.734 0.017 A 44 ALA H H 1 8.347 0.002 A 44 ALA HA H 1 3.676 0 A 44 ALA HB% H 1 1.37 0 A 44 ALA CA C 13 55.788 0.001 A 44 ALA CB C 13 18.707 0.062 A 44 ALA N N 15 123.871 0.021 A 45 ALA H H 1 7.593 0.002 A 45 ALA HA H 1 4.047 0 A 45 ALA HB% H 1 1.539 0 A 45 ALA CA C 13 55.068 0.065 A 45 ALA CB C 13 18.177 0.12 A 45 ALA N N 15 117.86 0.016 A 46 SER H H 1 8.086 0.002 A 46 SER HA H 1 4.103 0 A 46 SER HBx H 1 3.919 0 A 46 SER HBy H 1 3.919 0 A 46 SER CA C 13 62.044 0.081 A 46 SER CB C 13 63.061 0.027 A 46 SER N N 15 115.177 0.008 A 47 VAL H H 1 8.733 0.013 A 47 VAL HA H 1 3.831 0 A 47 VAL HB H 1 2.038 0 A 47 VAL HGx% H 1 0.77 0 A 47 VAL HGy% H 1 0.77 0 A 47 VAL CA C 13 67.401 0 A 47 VAL CB C 13 31.775 0 A 47 VAL CGy C 13 19.265 0 A 47 VAL CGx C 13 18.26 0 A 47 VAL N N 15 123.762 0.013 A 48 LYS H H 1 7.931 0.007 A 48 LYS HA H 1 3.729 0.005 A 48 LYS HBx H 1 1.924 0 A 48 LYS HBy H 1 1.924 0 A 48 LYS HDy H 1 1.786 0 A 48 LYS HDx H 1 1.706 0 A 48 LYS HEx H 1 3.041 0 A 48 LYS HEy H 1 3.041 0 A 48 LYS HGy H 1 1.534 0 A 48 LYS HGx H 1 1.261 0 A 48 LYS CA C 13 61.242 0.097 A 48 LYS CB C 13 32.696 0.06 A 48 LYS CD C 13 29.88 0 A 48 LYS CE C 13 41.799 0 A 48 LYS CG C 13 25.601 0 A 48 LYS N N 15 118.412 0.048 A 49 ARG H H 1 7.941 0.008 A 49 ARG HA H 1 4.123 0 A 49 ARG HBx H 1 1.871 0 A 49 ARG HBy H 1 1.871 0 A 49 ARG HDx H 1 3.18 0 A 49 ARG HDy H 1 3.18 0 A 49 ARG HGx H 1 1.495 0 A 49 ARG HGy H 1 1.495 0 A 49 ARG CA C 13 59.414 0.041 A 49 ARG CB C 13 30.338 0.016 A 49 ARG CD C 13 43.427 0 A 49 ARG CG C 13 27.321 0 A 49 ARG N N 15 116.894 0.086 A 50 ASP H H 1 8.25 0.003 A 50 ASP HA H 1 4.161 0 A 50 ASP HBy H 1 2.974 0 A 50 ASP HBx H 1 2.649 0 A 50 ASP CA C 13 58.581 0.023 A 50 ASP CB C 13 43.769 0.01 A 50 ASP N N 15 119.598 0.03 A 51 TYR H H 1 8.68 0.005 A 51 TYR HBy H 1 2.867 0 A 51 TYR HBx H 1 2.809 0 A 51 TYR HDx H 1 7.051 0.004 A 51 TYR HDy H 1 7.075 0.01 A 51 TYR HEx H 1 6.502 0.018 A 51 TYR HEy H 1 6.771 0 A 51 TYR CA C 13 62.615 0 A 51 TYR CB C 13 38.668 0.042 A 51 TYR CDy C 13 133.171 0 A 51 TYR CDx C 13 130.497 0.099 A 51 TYR CEy C 13 118.363 0.043 A 51 TYR CEx C 13 118.283 0 A 51 TYR N N 15 119.757 0.038 A 52 GLN H H 1 8.287 0 A 52 GLN HA H 1 4.126 0 A 52 GLN HBy H 1 2.846 0 A 52 GLN HBx H 1 2.717 0 A 52 GLN HGx H 1 2.241 0 A 52 GLN HGy H 1 2.241 0 A 52 GLN C C 13 178.235 0 A 52 GLN CA C 13 59.256 0 A 52 GLN N N 15 115.572 0 A 53 GLN H H 1 8.848 0.007 A 53 GLN HBx H 1 1.958 0 A 53 GLN HBy H 1 1.958 0 A 53 GLN HGy H 1 2.444 0 A 53 GLN HGx H 1 2.259 0 A 53 GLN C C 13 177.224 0 A 53 GLN CA C 13 57.673 0 A 53 GLN CB C 13 29.425 0.117 A 53 GLN N N 15 114.416 0.037 A 66 VAL HA H 1 4.239 0 A 66 VAL HB H 1 2.427 0 A 66 VAL HGx% H 1 1.014 0 A 66 VAL HGy% H 1 1.108 0 A 66 VAL CA C 13 63.712 0 A 66 VAL CB C 13 32.252 0 A 66 VAL CGy C 13 22.023 0 A 66 VAL CGx C 13 20.272 0 A 67 GLY H H 1 8.027 0 A 67 GLY CA C 13 45.91 0 A 67 GLY N N 15 108.542 0.002 A 71 PRO HA H 1 4.129 0 A 71 PRO HBx H 1 2.055 0 A 71 PRO HBy H 1 2.055 0 A 71 PRO HDx H 1 3.116 0 A 71 PRO HDy H 1 3.116 0 A 71 PRO HGy H 1 1.565 0 A 71 PRO HGx H 1 1.466 0 A 71 PRO C C 13 176.009 0 A 71 PRO CA C 13 62.889 0 A 71 PRO CB C 13 32.769 0 A 71 PRO CG C 13 27.433 0 A 72 VAL H H 1 8.537 0 A 72 VAL HA H 1 4.166 0 A 72 VAL HB H 1 1.872 0 A 72 VAL HGx% H 1 0.895 0 A 72 VAL HGy% H 1 0.895 0 A 72 VAL C C 13 174.364 0.008 A 72 VAL CA C 13 62.794 0.053 A 72 VAL CB C 13 32.947 0.072 A 72 VAL CGx C 13 21.413 0 A 72 VAL CGy C 13 21.413 0 A 72 VAL N N 15 123.129 0 A 73 ALA H H 1 8.272 0 A 73 ALA HA H 1 5.437 0 A 73 ALA HB% H 1 1.292 0 A 73 ALA C C 13 176.104 0.01 A 73 ALA CA C 13 50.307 0.027 A 73 ALA CB C 13 21.672 0.006 A 73 ALA N N 15 128.689 0 A 74 TRP H H 1 9.301 0 A 74 TRP HA H 1 4.89 0 A 74 TRP HBy H 1 3.232 0 A 74 TRP HBx H 1 3.132 0 A 74 TRP HD1 H 1 7.123 0.001 A 74 TRP HE1 H 1 10.082 0.001 A 74 TRP HE3 H 1 7.496 0.001 A 74 TRP HH2 H 1 7.197 0 A 74 TRP C C 13 174.515 0 A 74 TRP CA C 13 56.883 0 A 74 TRP CB C 13 32.12 0.051 A 74 TRP CD1 C 13 127.103 0.065 A 74 TRP CE3 C 13 120.589 0.104 A 74 TRP CH2 C 13 124.449 0 A 74 TRP N N 15 122.55 0 A 74 TRP NE1 N 15 129.79 0 A 75 VAL HA H 1 4.424 0 A 75 VAL HB H 1 1.722 0 A 75 VAL HGx% H 1 0.833 0 A 75 VAL HGy% H 1 0.747 0 A 75 VAL C C 13 174.906 0 A 75 VAL CA C 13 60.326 0 A 75 VAL CB C 13 34.985 0 A 75 VAL CGx C 13 21.667 0 A 75 VAL CGy C 13 21.667 0 A 76 SER H H 1 7.855 0.011 A 76 SER HA H 1 4.427 0 A 76 SER HBy H 1 4.005 0 A 76 SER HBx H 1 3.849 0 A 76 SER CA C 13 55.979 0 A 76 SER CB C 13 62.223 0 A 76 SER N N 15 121.442 0.059 A 77 LEU H H 1 8.256 0.002 A 77 LEU HA H 1 3.829 0 A 77 LEU HBy H 1 1.71 0 A 77 LEU HBx H 1 1.59 0 A 77 LEU HDx% H 1 0.903 0 A 77 LEU HDy% H 1 0.83 0 A 77 LEU CA C 13 58.257 0.006 A 77 LEU CB C 13 41.844 0.024 A 77 LEU CDx C 13 24.567 0 A 77 LEU CDy C 13 24.567 0 A 77 LEU CG C 13 27.361 0 A 77 LEU N N 15 129.932 0.013 A 78 GLN H H 1 8.614 0.005 A 78 GLN HA H 1 4.186 0 A 78 GLN HBx H 1 2.1 0 A 78 GLN HBy H 1 2.1 0 A 78 GLN HE2y H 1 7.639 0 A 78 GLN HE2x H 1 6.878 0 A 78 GLN HGx H 1 2.42 0 A 78 GLN HGy H 1 2.42 0 A 78 GLN CA C 13 57.73 0.047 A 78 GLN CB C 13 28.156 0.033 A 78 GLN CG C 13 33.567 0 A 78 GLN N N 15 115.179 0.03 A 78 GLN NE2 N 15 112.442 0.019 A 79 ASP H H 1 7.486 0.002 A 79 ASP HA H 1 4.901 0 A 79 ASP HBy H 1 3.049 0 A 79 ASP HBx H 1 2.563 0 A 79 ASP CA C 13 54.261 0.008 A 79 ASP CB C 13 43.008 0.025 A 79 ASP N N 15 116.803 0.013 A 80 ILE H H 1 7.278 0.003 A 80 ILE HA H 1 4.344 0 A 80 ILE HB H 1 1.964 0 A 80 ILE HD1% H 1 0.903 0 A 80 ILE HG1y H 1 2.137 0 A 80 ILE HG1x H 1 1.123 0 A 80 ILE HG2% H 1 1.123 0 A 80 ILE CA C 13 63.397 0.006 A 80 ILE CB C 13 38.796 0.019 A 80 ILE CD1 C 13 15.652 0 A 80 ILE CG1 C 13 29.225 0 A 80 ILE CG2 C 13 18.227 0 A 80 ILE N N 15 121.887 0.036 A 81 GLN H H 1 8.318 0.005 A 81 GLN HA H 1 4.983 0 A 81 GLN HBy H 1 2.16 0 A 81 GLN HBx H 1 1.937 0 A 81 GLN HE2y H 1 7.481 0 A 81 GLN HE2x H 1 6.787 0 A 81 GLN HGx H 1 2.408 0 A 81 GLN HGy H 1 2.408 0 A 81 GLN CA C 13 54.165 0.007 A 81 GLN CB C 13 32.639 0.015 A 81 GLN CG C 13 33.606 0 A 81 GLN N N 15 126.14 0.017 A 81 GLN NE2 N 15 112.142 0.008 A 82 GLY H H 1 8.484 0.004 A 82 GLY HAy H 1 4.161 0 A 82 GLY HAx H 1 3.108 0 A 82 GLY CA C 13 45.844 0.016 A 82 GLY N N 15 111.215 0.016 A 83 LYS H H 1 7.669 0.004 A 83 LYS HA H 1 3.986 0.017 A 83 LYS HBx H 1 1.66 0 A 83 LYS HBy H 1 1.66 0 A 83 LYS HDx H 1 1.561 0 A 83 LYS HDy H 1 1.561 0 A 83 LYS HEx H 1 2.946 0 A 83 LYS HEy H 1 2.946 0 A 83 LYS HGx H 1 1.221 0 A 83 LYS HGy H 1 1.221 0 A 83 LYS CA C 13 56.248 0.007 A 83 LYS CB C 13 34.501 0.038 A 83 LYS CD C 13 29.206 0.359 A 83 LYS CE C 13 42.087 0 A 83 LYS CG C 13 24.037 0 A 83 LYS N N 15 119.467 0.011 A 84 ASP H H 1 9.052 0.006 A 84 ASP HA H 1 4.181 0 A 84 ASP HBy H 1 2.812 0 A 84 ASP HBx H 1 2.584 0 A 84 ASP CA C 13 56.029 0.074 A 84 ASP CB C 13 39.258 0.026 A 84 ASP N N 15 124.24 0.011 A 85 ASP H H 1 8.261 0.001 A 85 ASP HA H 1 4.24 0 A 85 ASP HBy H 1 3.034 0 A 85 ASP HBx H 1 2.831 0 A 85 ASP CA C 13 56.115 0.026 A 85 ASP CB C 13 40.468 0 A 85 ASP N N 15 110.367 0.005 A 86 LYS H H 1 7.46 0.004 A 86 LYS HA H 1 5.352 0 A 86 LYS HBx H 1 1.746 0 A 86 LYS HBy H 1 1.746 0 A 86 LYS HDx H 1 1.649 0 A 86 LYS HDy H 1 1.649 0 A 86 LYS HEx H 1 2.997 0 A 86 LYS HEy H 1 2.997 0 A 86 LYS HGy H 1 1.47 0 A 86 LYS HGx H 1 1.319 0 A 86 LYS CA C 13 55.218 0.064 A 86 LYS CB C 13 34.418 0.036 A 86 LYS CD C 13 29.402 0 A 86 LYS CE C 13 42.285 0 A 86 LYS CG C 13 25.488 0 A 86 LYS N N 15 119.587 0.014 A 87 TRP H H 1 8.903 0.006 A 87 TRP HA H 1 5.307 0 A 87 TRP HBy H 1 3.045 0 A 87 TRP HBx H 1 2.628 0 A 87 TRP HD1 H 1 6.872 0.002 A 87 TRP HE1 H 1 10.705 0.003 A 87 TRP HE3 H 1 7.217 0.003 A 87 TRP HH2 H 1 7.091 0.004 A 87 TRP HZ2 H 1 7.484 0.007 A 87 TRP HZ3 H 1 6.912 0.012 A 87 TRP C C 13 175.839 0.012 A 87 TRP CA C 13 55.834 0.049 A 87 TRP CB C 13 34.217 0.061 A 87 TRP CD1 C 13 127.039 0.054 A 87 TRP CE3 C 13 119.937 0.125 A 87 TRP CH2 C 13 123.762 0.083 A 87 TRP CZ2 C 13 114.62 0.04 A 87 TRP CZ3 C 13 120.499 0.156 A 87 TRP N N 15 121.49 0.039 A 87 TRP NE1 N 15 130.987 0 A 88 SER H H 1 9.382 0.002 A 88 SER HA H 1 5.236 0.026 A 88 SER HBy H 1 3.878 0 A 88 SER HBx H 1 3.732 0 A 88 SER CA C 13 57.197 0.009 A 88 SER CB C 13 63.945 0.005 A 88 SER N N 15 118.488 0.013 A 89 VAL H H 1 9.36 0 A 89 VAL HA H 1 4.62 0 A 89 VAL HB H 1 2.096 0 A 89 VAL HGx% H 1 0.793 0 A 89 VAL HGy% H 1 0.724 0 A 89 VAL CA C 13 59.246 0 A 89 VAL CB C 13 35.649 0 A 89 VAL N N 15 127.693 0.012 A 90 PRO HA H 1 4.077 0 A 90 PRO HBx H 1 2.344 0 A 90 PRO HBy H 1 2.344 0 A 90 PRO HGx H 1 2.106 0 A 90 PRO HGy H 1 2.344 0 A 90 PRO C C 13 174.726 0 A 90 PRO CA C 13 61.967 0 A 90 PRO CB C 13 31.095 0 A 90 PRO CG C 13 28.153 0 A 91 LEU H H 1 8.767 0.015 A 91 LEU HA H 1 4.818 0 A 91 LEU HBy H 1 1.671 0 A 91 LEU HBx H 1 1.205 0 A 91 LEU HDx% H 1 0.582 0 A 91 LEU HDy% H 1 0.385 0 A 91 LEU HG H 1 1.093 0 A 91 LEU C C 13 173.906 0.043 A 91 LEU CA C 13 53.978 0 A 91 LEU CB C 13 46.386 0 A 91 LEU CDy C 13 24.908 0.06 A 91 LEU CDx C 13 24.776 0 A 91 LEU CG C 13 26.036 0 A 91 LEU N N 15 126.522 0.083 A 92 THR H H 1 9.034 0 A 92 THR HA H 1 5.105 0 A 92 THR HB H 1 5.105 0 A 93 VAL HA H 1 4.532 0 A 93 VAL HB H 1 1.972 0 A 93 VAL HGx% H 1 1.006 0 A 93 VAL HGy% H 1 0.546 0 A 93 VAL CA C 13 61.333 0 A 93 VAL CB C 13 33.826 0 A 93 VAL CGy C 13 21.891 0 A 93 VAL CGx C 13 19.445 0 A 94 ARG H H 1 8.833 0.004 A 94 ARG HA H 1 4.9 0 A 94 ARG HBx H 1 1.929 0 A 94 ARG HBy H 1 1.929 0 A 94 ARG HDx H 1 3.051 0 A 94 ARG HDy H 1 3.051 0 A 94 ARG HGy H 1 1.71 0 A 94 ARG HGx H 1 1.58 0 A 94 ARG CA C 13 55.931 0.037 A 94 ARG CB C 13 31.104 0.064 A 94 ARG CD C 13 43.386 0 A 94 ARG CG C 13 26.836 0 A 94 ARG N N 15 126.565 0.021 A 95 GLY H H 1 8.562 0.004 A 95 GLY HAy H 1 4.859 0.007 A 95 GLY HAx H 1 4.12 0 A 95 GLY CA C 13 44.454 0.054 A 95 GLY N N 15 112.938 0.11 A 96 LYS H H 1 8.074 0.006 A 96 LYS HA H 1 4.243 0 A 96 LYS HBx H 1 1.936 0 A 96 LYS HBy H 1 1.936 0 A 96 LYS HDx H 1 1.756 0 A 96 LYS HDy H 1 1.756 0 A 96 LYS HEx H 1 3.044 0 A 96 LYS HEy H 1 3.044 0 A 96 LYS HGx H 1 1.539 0 A 96 LYS HGy H 1 1.539 0 A 96 LYS CA C 13 59.295 0.022 A 96 LYS CB C 13 32.597 0.057 A 96 LYS CD C 13 29.202 0 A 96 LYS CG C 13 24.654 0 A 96 LYS N N 15 119.229 0.015 A 97 SER H H 1 8.828 0.01 A 97 SER HA H 1 4.625 0 A 97 SER HBx H 1 3.865 0 A 97 SER HBy H 1 3.865 0 A 97 SER CA C 13 58.593 0.1 A 97 SER CB C 13 64.106 0.025 A 97 SER N N 15 111.88 0.024 A 98 ALA H H 1 7.341 0.002 A 98 ALA HA H 1 4.121 0 A 98 ALA HB% H 1 0.967 0 A 98 ALA CA C 13 51.218 0.006 A 98 ALA CB C 13 21.866 0.053 A 98 ALA N N 15 122.995 0.013 A 99 ASP H H 1 8.206 0.003 A 99 ASP HA H 1 5.435 0 A 99 ASP HBx H 1 2.483 0 A 99 ASP HBy H 1 2.483 0 A 99 ASP CA C 13 52.144 0 A 99 ASP CB C 13 43.392 0 A 99 ASP N N 15 115.649 0.006 A 100 ILE H H 1 9.039 0 A 100 ILE HA H 1 4.177 0 A 100 ILE HB H 1 1.847 0 A 100 ILE HD1% H 1 0.861 0 A 100 ILE HG1y H 1 1.438 0 A 100 ILE HG1x H 1 1.151 0 A 100 ILE HG2% H 1 0.861 0 A 100 ILE CA C 13 60.56 0 A 100 ILE CB C 13 41.095 0 A 100 ILE CD1 C 13 12.991 0 A 100 ILE CG1 C 13 27.478 0.016 A 100 ILE CG2 C 13 17.511 0 A 100 ILE N N 15 120.032 0 A 101 HIS HD2 H 1 6.951 0 A 101 HIS HE1 H 1 8.187 0 A 101 HIS CD2 C 13 118.602 0 A 101 HIS CE1 C 13 136.46 0 A 104 VAL HA H 1 4.779 0 A 104 VAL HB H 1 1.907 0 A 104 VAL HGx% H 1 0.425 0 A 104 VAL HGy% H 1 -0.074 0 A 104 VAL CA C 13 61.192 0 A 104 VAL CB C 13 31.896 0 A 104 VAL CGy C 13 22.499 0 A 104 VAL CGx C 13 20.132 0 A 105 SER H H 1 8.973 0.004 A 105 SER HA H 1 5.393 0 A 105 SER HBx H 1 3.887 0 A 105 SER HBy H 1 3.887 0 A 105 SER CA C 13 56.419 0.029 A 105 SER CB C 13 63.496 0.009 A 105 SER N N 15 124.376 0.033 A 106 VAL H H 1 9.254 0.001 A 106 VAL HA H 1 4.09 0 A 106 VAL HB H 1 1.78 0 A 106 VAL HGx% H 1 0.501 0 A 106 VAL HGy% H 1 0.155 0 A 106 VAL CA C 13 61.843 0.012 A 106 VAL CB C 13 34.995 0.018 A 106 VAL CGy C 13 22.874 0 A 106 VAL CGx C 13 20.563 0 A 106 VAL N N 15 127.349 0.013 A 107 ASP H H 1 8.877 0.001 A 107 ASP HA H 1 5.149 0 A 107 ASP HBy H 1 3.031 0 A 107 ASP HBx H 1 2.538 0 A 107 ASP CA C 13 52.528 0.006 A 107 ASP CB C 13 41.694 0.03 A 107 ASP N N 15 126.522 0.018 A 108 CYS H H 1 8.989 0.001 A 108 CYS HA H 1 4.828 0 A 108 CYS HBy H 1 3.494 0.014 A 108 CYS HBx H 1 2.757 0.017 A 108 CYS CA C 13 57.07 0.016 A 108 CYS CB C 13 40.994 0.006 A 108 CYS N N 15 120.863 0.011 A 109 LYS H H 1 8.374 0.002 A 109 LYS HA H 1 4.384 0 A 109 LYS HBx H 1 1.954 0 A 109 LYS HBy H 1 1.954 0 A 109 LYS HDx H 1 1.763 0 A 109 LYS HDy H 1 1.763 0 A 109 LYS HEx H 1 3.058 0 A 109 LYS HEy H 1 3.058 0 A 109 LYS HGy H 1 1.574 0 A 109 LYS HGx H 1 1.445 0 A 109 LYS CA C 13 58.418 0.013 A 109 LYS CB C 13 32.625 0.032 A 109 LYS CD C 13 29.252 0 A 109 LYS CE C 13 42.009 0 A 109 LYS CG C 13 25.38 0.286 A 109 LYS N N 15 118.8 0.015 A 110 ALA H H 1 7.777 0.005 A 110 ALA HA H 1 4.285 0 A 110 ALA HB% H 1 1.327 0 A 110 ALA CA C 13 52.221 0.009 A 110 ALA CB C 13 19.837 0.046 A 110 ALA N N 15 119.495 0.027 A 111 GLY H H 1 8.084 0.001 A 111 GLY HAy H 1 4.067 0 A 111 GLY HAx H 1 3.913 0 A 111 GLY CA C 13 47.745 0.015 A 111 GLY N N 15 107.111 0.01 A 112 MET H H 1 7.731 0.001 A 112 MET HA H 1 5.426 0 A 112 MET HBy H 1 2.126 0 A 112 MET HBx H 1 1.837 0 A 112 MET HGy H 1 2.582 0 A 112 MET HGx H 1 2.42 0 A 112 MET CA C 13 53.755 0.014 A 112 MET CB C 13 37.293 0.011 A 112 MET CG C 13 31.761 0 A 112 MET N N 15 118.682 0.01 A 113 ALA H H 1 9.225 0.015 A 113 ALA HA H 1 5.297 0 A 113 ALA HB% H 1 0.763 0 A 113 ALA CA C 13 50.306 0.015 A 113 ALA CB C 13 23.342 0.046 A 113 ALA N N 15 123.295 0.043 A 114 GLU H H 1 8.84 0.004 A 114 GLU HA H 1 5.348 0 A 114 GLU HBy H 1 2.182 0 A 114 GLU HBx H 1 1.945 0 A 114 GLU HGx H 1 2.231 0 A 114 GLU HGy H 1 2.231 0 A 114 GLU CA C 13 54.721 0 A 114 GLU CB C 13 32.53 0 A 114 GLU N N 15 120.553 0.043 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 104 VAL HA A 114 GLU HA 1.0 0.0 5.50 2 2 A 72 VAL H A 72 VAL HB 1.0 0.0 4.17 3 3 A 81 GLN HE2y A 81 GLN HBx 1.0 0.0 3.79 4 4 A 85 ASP HBy A 109 LYS HBx 1.0 0.0 4.04 5 5 A 113 ALA HA A 114 GLU H 1.0 0.0 2.77 6 6 A 113 ALA HA A 112 MET H 1.0 0.0 5.13 7 7 A 113 ALA HA A 112 MET HA 1.0 0.0 4.82 8 8 A 114 GLU HA A 113 ALA HA 1.0 0.0 5.12 9 9 A 113 ALA HA A 112 MET HBy 1.0 0.0 4.81 10 10 A 113 ALA HA A 106 VAL HGy% 1.0 0.0 4.26 11 11 A 51 TYR HEy A 113 ALA HB% 1.0 0.0 4.88 12 12 A 114 GLU HA A 113 ALA HB% 1.0 0.0 5.37 13 13 A 113 ALA HB% A 107 ASP HBy 1.0 0.0 5.05 14 14 A 113 ALA HB% A 106 VAL HGx% 1.0 0.0 3.61 15 15 A 106 VAL HGy% A 113 ALA HB% 1.0 0.0 3.81 16 16 A 113 ALA HB% A 104 VAL HGx% 1.0 0.0 3.70 17 17 A 113 ALA HB% A 105 SER H 1.0 0.0 4.91 18 18 A 38 LEU HDy% A 46 SER H 1.0 0.0 5.50 19 19 A 38 LEU HDy% A 38 LEU H 1.0 0.0 4.01 20 20 A 38 LEU HDy% A 35 CYS HA 1.0 0.0 5.00 21 21 A 38 LEU HDy% A 39 ASP HA 1.0 0.0 5.06 22 22 A 38 LEU HDy% A 38 LEU HA 1.0 0.0 2.60 23 23 A 38 LEU HDy% A 42 GLY HAy 1.0 0.0 3.21 24 24 A 38 LEU HDy% A 35 CYS HBx 1.0 0.0 4.35 25 25 A 38 LEU HDy% A 38 LEU HBx 1.0 0.0 3.16 26 26 A 38 LEU HDy% A 38 LEU HBy 1.0 0.0 3.19 27 27 A 112 MET HA A 113 ALA H 1.0 0.0 3.16 28 28 A 112 MET HA A 111 GLY HAx 1.0 0.0 4.74 29 29 A 112 MET HA A 112 MET HGy 1.0 0.0 3.62 30 30 A 112 MET HA A 113 ALA HB% 1.0 0.0 4.46 31 31 A 113 ALA H A 112 MET HBx 1.0 0.0 4.18 32 32 A 112 MET HBy A 113 ALA H 1.0 0.0 4.37 33 33 A 112 MET HBy A 107 ASP H 1.0 0.0 4.74 34 34 A 112 MET HBx A 107 ASP H 1.0 0.0 5.50 35 35 A 112 MET HBy A 111 GLY H 1.0 0.0 5.42 36 36 A 113 ALA HA A 112 MET HBx 1.0 0.0 4.68 37 37 A 112 MET HBy A 107 ASP HBx 1.0 0.0 4.03 38 38 A 112 MET HBy A 107 ASP HBy 1.0 0.0 3.38 39 39 A 112 MET HBy A 110 ALA HB% 1.0 0.0 3.55 40 40 A 113 ALA H A 112 MET HGx 1.0 0.0 5.32 41 41 A 112 MET HGy A 111 GLY H 1.0 0.0 5.42 42 42 A 112 MET H A 112 MET HGy 1.0 0.0 4.13 43 43 A 112 MET HA A 112 MET HGx 1.0 0.0 3.74 44 44 A 112 MET HGy A 110 ALA HB% 1.0 0.0 3.90 45 45 A 110 ALA HB% A 112 MET HGx 1.0 0.0 3.29 46 46 A 107 ASP HBx A 112 MET HGx 1.0 0.0 4.57 47 47 A 112 MET HA A 111 GLY HAy 1.0 0.0 5.18 48 48 A 111 GLY HAy A 108 CYS HA 1.0 0.0 4.38 49 49 A 111 GLY HAx A 108 CYS HA 1.0 0.0 5.15 50 50 A 111 GLY HAx A 110 ALA HA 1.0 0.0 4.80 51 51 A 111 GLY HAx A 34 LYS HEx 1.0 0.0 5.50 52 52 A 111 GLY HAx A 34 LYS HEy 1.0 0.0 5.50 53 53 A 111 GLY HAx A 107 ASP HBx 1.0 0.0 5.50 54 54 A 107 ASP HBx A 111 GLY HAy 1.0 0.0 4.81 55 55 A 107 ASP HBy A 111 GLY HAy 1.0 0.0 5.15 56 56 A 111 GLY HAx A 34 LYS HGx 1.0 0.0 4.04 57 57 A 111 GLY HAx A 34 LYS HGy 1.0 0.0 3.92 58 58 A 111 GLY HAy A 34 LYS HGx 1.0 0.0 3.92 59 59 A 107 ASP HBx A 110 ALA HA 1.0 0.0 4.48 60 60 A 109 LYS HBx A 110 ALA HA 1.0 0.0 5.07 61 61 A 110 ALA HA A 109 LYS HBy 1.0 0.0 5.45 62 62 A 43 ILE H A 44 ALA HB% 1.0 0.0 4.42 63 63 A 46 SER H A 44 ALA HB% 1.0 0.0 4.61 64 64 A 44 ALA HB% A 48 LYS H 1.0 0.0 4.88 65 65 A 44 ALA HB% A 40 ALA HA 1.0 0.0 4.84 66 66 A 108 CYS H A 109 LYS HA 1.0 0.0 5.37 67 67 A 111 GLY H A 109 LYS HA 1.0 0.0 4.43 68 68 A 109 LYS HBy A 109 LYS HA 1.0 0.0 2.82 69 69 A 109 LYS HA A 109 LYS HDx 1.0 0.0 3.94 70 70 A 109 LYS HA A 109 LYS HDy 1.0 0.0 3.94 71 71 A 109 LYS HA A 109 LYS HGy 1.0 0.0 3.48 72 72 A 109 LYS HA A 109 LYS HGx 1.0 0.0 3.98 73 73 A 92 THR H A 93 VAL HB 1.0 0.0 5.50 74 74 A 109 LYS H A 109 LYS HDx 1.0 0.0 4.80 75 75 A 109 LYS H A 109 LYS HDy 1.0 0.0 4.80 76 76 A 34 LYS H A 34 LYS HDy 1.0 0.0 5.18 77 77 A 34 LYS H A 34 LYS HDx 1.0 0.0 5.50 78 78 A 112 MET H A 34 LYS HDx 1.0 0.0 4.56 79 79 A 108 CYS HA A 34 LYS HDy 1.0 0.0 5.40 80 80 A 108 CYS HA A 34 LYS HDx 1.0 0.0 5.50 81 81 A 34 LYS HDy A 34 LYS HA 1.0 0.0 4.20 82 82 A 111 GLY HAy A 34 LYS HDx 1.0 0.0 4.55 83 83 A 112 MET H A 34 LYS HGy 1.0 0.0 4.04 84 84 A 85 ASP HBy A 109 LYS HGx 1.0 0.0 3.37 85 85 A 109 LYS HGy A 36 GLU HBx 1.0 0.0 5.50 86 86 A 109 LYS H A 108 CYS HBx 1.0 0.0 4.20 87 87 A 108 CYS HBx A 87 TRP HD1 1.0 0.0 5.50 88 88 A 107 ASP HA A 108 CYS HBy 1.0 0.0 4.81 89 89 A 35 CYS HA A 108 CYS HBx 1.0 0.0 4.38 90 90 A 108 CYS HBy A 36 GLU HA 1.0 0.0 4.15 91 91 A 108 CYS HBy A 34 LYS HBy 1.0 0.0 4.82 92 92 A 109 LYS HBx A 108 CYS HBy 1.0 0.0 5.08 93 93 A 108 CYS HBx A 34 LYS HBy 1.0 0.0 4.34 94 94 A 109 LYS HBx A 108 CYS HBx 1.0 0.0 5.50 95 95 A 109 LYS H A 107 ASP HA 1.0 0.0 4.68 96 96 A 107 ASP HA A 110 ALA H 1.0 0.0 4.96 97 97 A 112 MET H A 107 ASP HA 1.0 0.0 5.41 98 98 A 107 ASP HA A 86 LYS HA 1.0 0.0 3.33 99 99 A 107 ASP HA A 86 LYS HDx 1.0 0.0 4.21 100 100 A 107 ASP HA A 86 LYS HGx 1.0 0.0 3.42 101 101 A 107 ASP HBx A 108 CYS H 1.0 0.0 4.49 102 102 A 107 ASP H A 107 ASP HBx 1.0 0.0 3.66 103 103 A 107 ASP HBx A 109 LYS H 1.0 0.0 5.48 104 104 A 86 LYS HA A 86 LYS HEx 1.0 0.0 5.50 105 105 A 86 LYS HA A 86 LYS HEy 1.0 0.0 5.50 106 106 A 107 ASP HBx A 86 LYS HA 1.0 0.0 5.50 107 107 A 113 ALA HA A 107 ASP HBy 1.0 0.0 4.70 108 108 A 107 ASP HBy A 106 VAL HA 1.0 0.0 4.61 109 109 A 107 ASP HBy A 112 MET HBx 1.0 0.0 4.69 110 110 A 107 ASP HBy A 106 VAL HGx% 1.0 0.0 5.03 111 111 A 105 SER H A 106 VAL HA 1.0 0.0 4.98 112 112 A 113 ALA HA A 106 VAL HA 1.0 0.0 3.10 113 113 A 107 ASP HA A 106 VAL HA 1.0 0.0 4.49 114 114 A 76 SER HBx A 79 ASP HBy 1.0 0.0 4.19 115 115 A 113 ALA HB% A 106 VAL HA 1.0 0.0 3.71 116 116 A 104 VAL HGx% A 106 VAL HA 1.0 0.0 4.49 117 117 A 43 ILE HG1x A 106 VAL HB 1.0 0.0 5.50 118 118 A 104 VAL HGx% A 106 VAL HB 1.0 0.0 5.50 119 119 A 106 VAL HGx% A 107 ASP H 1.0 0.0 3.21 120 120 A 106 VAL HGx% A 111 GLY H 1.0 0.0 5.50 121 121 A 113 ALA HA A 106 VAL HGx% 1.0 0.0 4.59 122 122 A 106 VAL HGx% A 107 ASP HA 1.0 0.0 4.11 123 123 A 104 VAL HA A 104 VAL HGy% 1.0 0.0 3.71 124 124 A 106 VAL HGx% A 106 VAL HA 1.0 0.0 3.12 125 125 A 106 VAL HGx% A 111 GLY HAy 1.0 0.0 5.34 126 126 A 106 VAL HGx% A 87 TRP HBx 1.0 0.0 4.78 127 127 A 106 VAL HGx% A 87 TRP HBy 1.0 0.0 3.87 128 128 A 106 VAL HGx% A 87 TRP HE1 1.0 0.0 4.84 129 129 A 106 VAL HGy% A 87 TRP H 1.0 0.0 4.34 130 130 A 106 VAL HGy% A 51 TYR HEx 1.0 0.0 4.91 131 131 A 106 VAL HGy% A 105 SER HA 1.0 0.0 4.05 132 132 A 106 VAL HGy% A 88 SER HA 1.0 0.0 4.01 133 133 A 104 VAL HA A 106 VAL HGy% 1.0 0.0 5.50 134 134 A 106 VAL HGy% A 106 VAL HA 1.0 0.0 3.21 135 135 A 106 VAL HGy% A 105 SER HBx 1.0 0.0 5.50 136 136 A 106 VAL HGy% A 105 SER HBy 1.0 0.0 5.50 137 137 A 106 VAL HGy% A 87 TRP HBy 1.0 0.0 3.77 138 138 A 106 VAL HGy% A 47 VAL HB 1.0 0.0 4.51 139 139 A 106 VAL HGy% A 80 ILE HG2% 1.0 0.0 5.43 140 140 A 106 VAL HGy% A 104 VAL HGx% 1.0 0.0 3.24 141 141 A 104 VAL HA A 105 SER HA 1.0 0.0 4.58 142 142 A 106 VAL HA A 105 SER HA 1.0 0.0 4.85 143 143 A 106 VAL HB A 105 SER HA 1.0 0.0 4.76 144 144 A 88 SER H A 88 SER HBy 1.0 0.0 3.14 145 145 A 106 VAL HGx% A 47 VAL HB 1.0 0.0 5.50 146 146 A 104 VAL HB A 106 VAL H 1.0 0.0 5.49 147 147 A 106 VAL HGy% A 104 VAL HB 1.0 0.0 4.41 148 148 A 114 GLU H A 104 VAL HGy% 1.0 0.0 5.50 149 149 A 104 VAL HGx% A 106 VAL H 1.0 0.0 4.14 150 150 A 114 GLU H A 104 VAL HGx% 1.0 0.0 3.78 151 151 A 104 VAL HGx% A 51 TYR HDy 1.0 0.0 5.50 152 152 A 113 ALA HA A 104 VAL HGx% 1.0 0.0 4.22 153 153 A 104 VAL HA A 104 VAL HGx% 1.0 0.0 3.28 154 154 A 98 ALA HB% A 99 ASP HA 1.0 0.0 4.80 155 155 A 99 ASP HA A 100 ILE HG2% 1.0 0.0 4.86 156 156 A 97 SER HA A 98 ALA HA 1.0 0.0 4.78 157 157 A 98 ALA HA A 99 ASP HBx 1.0 0.0 5.50 158 158 A 98 ALA HA A 99 ASP HBy 1.0 0.0 5.50 159 159 A 98 ALA HB% A 95 GLY H 1.0 0.0 4.82 160 160 A 96 LYS HA A 96 LYS HGx 1.0 0.0 4.14 161 161 A 96 LYS HA A 96 LYS HGy 1.0 0.0 4.14 162 162 A 108 CYS HA A 34 LYS HA 1.0 0.0 4.50 163 163 A 86 LYS HDx A 87 TRP H 1.0 0.0 5.50 164 164 A 87 TRP H A 86 LYS HDy 1.0 0.0 5.50 165 165 A 86 LYS HDy A 86 LYS H 1.0 0.0 5.50 166 166 A 86 LYS HA A 86 LYS HDx 1.0 0.0 4.72 167 167 A 86 LYS HA A 86 LYS HDy 1.0 0.0 4.93 168 168 A 107 ASP HA A 86 LYS HDy 1.0 0.0 5.20 169 169 A 83 LYS HA A 83 LYS HDx 1.0 0.0 5.50 170 170 A 83 LYS HA A 83 LYS HDy 1.0 0.0 5.50 171 171 A 107 ASP HBy A 86 LYS HDx 1.0 0.0 4.58 172 172 A 96 LYS H A 96 LYS HGx 1.0 0.0 5.29 173 173 A 96 LYS H A 96 LYS HGy 1.0 0.0 5.29 174 174 A 76 SER HBx A 90 PRO HBx 1.0 0.0 5.50 175 175 A 76 SER HBx A 90 PRO HBy 1.0 0.0 5.50 176 176 A 50 ASP H A 49 ARG HDx 1.0 0.0 5.50 177 177 A 50 ASP H A 49 ARG HDy 1.0 0.0 5.50 178 178 A 94 ARG H A 94 ARG HDx 1.0 0.0 5.50 179 179 A 94 ARG H A 94 ARG HDy 1.0 0.0 5.50 180 180 A 51 TYR HDy A 50 ASP HBx 1.0 0.0 5.24 181 181 A 36 GLU H A 38 LEU HG 1.0 0.0 5.49 182 182 A 38 LEU HG A 39 ASP H 1.0 0.0 4.71 183 183 A 38 LEU H A 38 LEU HG 1.0 0.0 3.75 184 184 A 38 LEU HG A 35 CYS HBy 1.0 0.0 4.51 185 185 A 74 TRP H A 93 VAL HA 1.0 0.0 4.54 186 186 A 93 VAL HA A 73 ALA HA 1.0 0.0 4.12 187 187 A 93 VAL HA A 92 THR HA 1.0 0.0 4.53 188 188 A 93 VAL HA A 73 ALA HB% 1.0 0.0 4.64 189 189 A 93 VAL HA A 93 VAL HGx% 1.0 0.0 3.48 190 190 A 93 VAL HA A 93 VAL HGy% 1.0 0.0 3.48 191 191 A 31 THR H A 30 VAL HGx% 1.0 0.0 4.79 192 192 A 98 ALA HB% A 96 LYS H 1.0 0.0 4.31 193 193 A 74 TRP HE3 A 92 THR HB 1.0 0.0 5.50 194 194 A 98 ALA HB% A 95 GLY HAy 1.0 0.0 3.95 195 195 A 75 VAL HA A 75 VAL HGx% 1.0 0.0 3.73 196 196 A 75 VAL HA A 75 VAL HGy% 1.0 0.0 3.73 197 197 A 38 LEU HDy% A 43 ILE HD1% 1.0 0.0 3.33 198 198 A 80 ILE HG2% A 81 GLN HA 1.0 0.0 3.88 199 199 A 49 ARG H A 48 LYS HGx 1.0 0.0 5.37 200 200 A 48 LYS H A 48 LYS HGy 1.0 0.0 4.61 201 201 A 49 ARG H A 48 LYS HGy 1.0 0.0 5.37 202 202 A 76 SER H A 90 PRO HGy 1.0 0.0 4.98 203 203 A 90 PRO HGy A 89 VAL HA 1.0 0.0 4.56 204 204 A 76 SER HBx A 90 PRO HGy 1.0 0.0 4.20 205 205 A 90 PRO HGy A 76 SER HBy 1.0 0.0 3.79 206 206 A 90 PRO HGy A 79 ASP HBy 1.0 0.0 4.05 207 207 A 90 PRO HGy A 79 ASP HBx 1.0 0.0 4.05 208 208 A 78 GLN HBy A 80 ILE H 1.0 0.0 5.50 209 209 A 80 ILE H A 78 GLN HBx 1.0 0.0 5.50 210 210 A 78 GLN HBy A 79 ASP HA 1.0 0.0 5.33 211 211 A 78 GLN HBx A 79 ASP HA 1.0 0.0 5.50 212 212 A 89 VAL HA A 90 PRO HGx 1.0 0.0 4.37 213 213 A 90 PRO HGx A 80 ILE HA 1.0 0.0 5.50 214 214 A 51 TYR HEx A 89 VAL HB 1.0 0.0 5.45 215 215 A 104 VAL HB A 89 VAL HB 1.0 0.0 2.73 216 216 A 104 VAL HGy% A 89 VAL HB 1.0 0.0 4.27 217 217 A 106 VAL HGy% A 89 VAL HB 1.0 0.0 4.99 218 218 A 104 VAL HGx% A 89 VAL HB 1.0 0.0 4.50 219 219 A 86 LYS HA A 106 VAL H 1.0 0.0 5.47 220 220 A 106 VAL H A 87 TRP HA 1.0 0.0 5.50 221 221 A 114 GLU HA A 113 ALA H 1.0 0.0 5.50 222 222 A 107 ASP HBy A 86 LYS HA 1.0 0.0 5.50 223 223 A 86 LYS HA A 86 LYS HGy 1.0 0.0 3.76 224 224 A 86 LYS HA A 86 LYS HGx 1.0 0.0 3.42 225 225 A 106 VAL HGx% A 86 LYS HA 1.0 0.0 4.76 226 226 A 107 ASP HA A 86 LYS HBy 1.0 0.0 5.18 227 227 A 107 ASP HA A 106 VAL HB 1.0 0.0 5.45 228 228 A 107 ASP HA A 86 LYS HBx 1.0 0.0 5.38 229 229 A 87 TRP HBx A 80 ILE HG2% 1.0 0.0 4.25 230 230 A 106 VAL HGy% A 87 TRP HBx 1.0 0.0 4.05 231 231 A 87 TRP HBy A 47 VAL HGx% 1.0 0.0 5.50 232 232 A 87 TRP HBy A 47 VAL HGy% 1.0 0.0 5.50 233 233 A 87 TRP HBy A 43 ILE HD1% 1.0 0.0 5.50 234 234 A 42 GLY H A 39 ASP HBx 1.0 0.0 5.12 235 235 A 34 LYS HGy A 108 CYS H 1.0 0.0 4.69 236 236 A 87 TRP H A 86 LYS HGy 1.0 0.0 5.04 237 237 A 107 ASP H A 34 LYS HGy 1.0 0.0 5.46 238 238 A 86 LYS H A 86 LYS HGy 1.0 0.0 5.06 239 239 A 107 ASP HA A 86 LYS HGy 1.0 0.0 4.10 240 240 A 107 ASP HBy A 86 LYS HGx 1.0 0.0 4.48 241 241 A 107 ASP HBy A 34 LYS HGy 1.0 0.0 5.50 242 242 A 107 ASP HBy A 86 LYS HGy 1.0 0.0 5.50 243 243 A 108 CYS HBy A 85 ASP HA 1.0 0.0 4.12 244 244 A 86 LYS HDy A 85 ASP HA 1.0 0.0 5.50 245 245 A 85 ASP HBy A 85 ASP H 1.0 0.0 3.98 246 246 A 85 ASP H A 85 ASP HBx 1.0 0.0 4.13 247 247 A 85 ASP HBy A 84 ASP HBx 1.0 0.0 5.50 248 248 A 85 ASP HBy A 109 LYS HGy 1.0 0.0 3.97 249 249 A 109 LYS HBx A 85 ASP HBx 1.0 0.0 4.89 250 250 A 85 ASP HBx A 109 LYS HDx 1.0 0.0 5.50 251 251 A 85 ASP HBx A 109 LYS HDy 1.0 0.0 5.50 252 252 A 109 LYS HGy A 85 ASP HBx 1.0 0.0 4.03 253 253 A 83 LYS HA A 85 ASP H 1.0 0.0 4.91 254 254 A 86 LYS H A 83 LYS HA 1.0 0.0 4.67 255 255 A 83 LYS HA A 83 LYS HEx 1.0 0.0 5.50 256 256 A 83 LYS HA A 83 LYS HEy 1.0 0.0 5.50 257 257 A 83 LYS HA A 84 ASP HBy 1.0 0.0 5.24 258 258 A 83 LYS HA A 84 ASP HBx 1.0 0.0 5.00 259 259 A 76 SER H A 75 VAL HB 1.0 0.0 5.03 260 260 A 77 LEU HBy A 78 GLN H 1.0 0.0 4.04 261 261 A 76 SER HA A 77 LEU HBx 1.0 0.0 5.11 262 262 A 77 LEU HBx A 78 GLN HA 1.0 0.0 4.65 263 263 A 77 LEU HBy A 76 SER HA 1.0 0.0 5.05 264 264 A 78 GLN HBx A 77 LEU HBx 1.0 0.0 4.95 265 265 A 85 ASP H A 83 LYS HGy 1.0 0.0 5.50 266 266 A 87 TRP HA A 82 GLY H 1.0 0.0 4.61 267 267 A 87 TRP HA A 83 LYS H 1.0 0.0 4.16 268 268 A 87 TRP HA A 87 TRP HE3 1.0 0.0 3.75 269 269 A 87 TRP HD1 A 87 TRP HA 1.0 0.0 4.47 270 270 A 87 TRP HA A 88 SER HBx 1.0 0.0 5.05 271 271 A 88 SER HBy A 87 TRP HA 1.0 0.0 4.49 272 272 A 87 TRP HA A 86 LYS HBy 1.0 0.0 4.73 273 273 A 106 VAL HB A 87 TRP HA 1.0 0.0 5.17 274 274 A 106 VAL HGy% A 87 TRP HA 1.0 0.0 5.37 275 275 A 87 TRP HE3 A 82 GLY HAy 1.0 0.0 4.24 276 276 A 87 TRP HA A 82 GLY HAy 1.0 0.0 3.64 277 277 A 81 GLN HA A 82 GLY HAy 1.0 0.0 4.77 278 278 A 87 TRP HE3 A 82 GLY HAx 1.0 0.0 4.24 279 279 A 87 TRP HA A 82 GLY HAx 1.0 0.0 3.64 280 280 A 81 GLN HA A 82 GLY HAx 1.0 0.0 4.77 281 281 A 35 CYS HA A 34 LYS HA 1.0 0.0 4.69 282 282 A 35 CYS HA A 35 CYS HBy 1.0 0.0 2.92 283 283 A 35 CYS HA A 35 CYS HBx 1.0 0.0 2.83 284 284 A 35 CYS HA A 34 LYS HBy 1.0 0.0 5.02 285 285 A 35 CYS HA A 38 LEU HBx 1.0 0.0 4.47 286 286 A 35 CYS HA A 38 LEU HG 1.0 0.0 3.91 287 287 A 35 CYS HA A 38 LEU HDx% 1.0 0.0 3.25 288 288 A 94 ARG H A 71 PRO HBx 1.0 0.0 4.53 289 289 A 88 SER H A 80 ILE HA 1.0 0.0 4.79 290 290 A 81 GLN HA A 80 ILE HA 1.0 0.0 4.55 291 291 A 90 PRO HGy A 80 ILE HA 1.0 0.0 4.38 292 292 A 80 ILE HA A 80 ILE HG1y 1.0 0.0 3.47 293 293 A 80 ILE HG2% A 80 ILE HA 1.0 0.0 3.06 294 294 A 80 ILE HB A 81 GLN H 1.0 0.0 4.63 295 295 A 43 ILE H A 80 ILE HD1% 1.0 0.0 5.50 296 296 A 48 LYS H A 80 ILE HD1% 1.0 0.0 5.50 297 297 A 80 ILE HD1% A 79 ASP H 1.0 0.0 5.15 298 298 A 80 ILE H A 80 ILE HD1% 1.0 0.0 3.74 299 299 A 80 ILE HD1% A 87 TRP HZ3 1.0 0.0 5.50 300 300 A 89 VAL HA A 80 ILE HD1% 1.0 0.0 3.72 301 301 A 80 ILE HA A 80 ILE HD1% 1.0 0.0 3.68 302 302 A 80 ILE HD1% A 44 ALA HA 1.0 0.0 3.50 303 303 A 40 ALA HA A 80 ILE HD1% 1.0 0.0 4.28 304 304 A 87 TRP HBx A 80 ILE HD1% 1.0 0.0 4.73 305 305 A 90 PRO HGy A 80 ILE HD1% 1.0 0.0 4.79 306 306 A 80 ILE HB A 80 ILE HD1% 1.0 0.0 3.40 307 307 A 75 VAL HB A 80 ILE HD1% 1.0 0.0 4.17 308 308 A 44 ALA HB% A 80 ILE HD1% 1.0 0.0 2.65 309 309 A 80 ILE HG2% A 80 ILE HD1% 1.0 0.0 2.56 310 310 A 80 ILE HD1% A 43 ILE HG2% 1.0 0.0 3.30 311 311 A 80 ILE HG1y A 79 ASP H 1.0 0.0 4.49 312 312 A 36 GLU HBx A 37 ASP HA 1.0 0.0 4.91 313 313 A 44 ALA HB% A 80 ILE HG1y 1.0 0.0 4.47 314 314 A 80 ILE HG2% A 88 SER H 1.0 0.0 3.89 315 315 A 43 ILE H A 80 ILE HG2% 1.0 0.0 5.04 316 316 A 80 ILE HG2% A 87 TRP HZ2 1.0 0.0 5.07 317 317 A 80 ILE HG2% A 87 TRP HE3 1.0 0.0 2.89 318 318 A 80 ILE HG2% A 87 TRP HZ3 1.0 0.0 3.20 319 319 A 80 ILE HG2% A 87 TRP HA 1.0 0.0 4.50 320 320 A 80 ILE HG2% A 77 LEU HA 1.0 0.0 4.42 321 321 A 80 ILE HG2% A 80 ILE HG1y 1.0 0.0 3.39 322 322 A 87 TRP HBy A 80 ILE HG2% 1.0 0.0 4.62 323 323 A 80 ILE HG2% A 40 ALA HB% 1.0 0.0 3.00 324 324 A 40 ALA HB% A 41 ALA H 1.0 0.0 2.86 325 325 A 87 TRP HZ2 A 40 ALA HB% 1.0 0.0 5.15 326 326 A 87 TRP HE3 A 40 ALA HB% 1.0 0.0 4.47 327 327 A 87 TRP HZ3 A 40 ALA HB% 1.0 0.0 3.18 328 328 A 39 ASP HA A 40 ALA HB% 1.0 0.0 4.56 329 329 A 44 ALA HB% A 41 ALA HA 1.0 0.0 3.65 330 330 A 80 ILE HB A 40 ALA HB% 1.0 0.0 3.34 331 331 A 47 VAL HA A 47 VAL HGy% 1.0 0.0 3.29 332 332 A 50 ASP HBy A 51 TYR HDx 1.0 0.0 4.53 333 333 A 78 GLN HA A 79 ASP H 1.0 0.0 3.49 334 334 A 80 ILE H A 78 GLN HA 1.0 0.0 3.98 335 335 A 78 GLN HBy A 78 GLN HA 1.0 0.0 2.64 336 336 A 76 SER HBy A 90 PRO HGx 1.0 0.0 3.89 337 337 A 77 LEU HBy A 80 ILE HG1y 1.0 0.0 5.50 338 338 A 79 ASP H A 77 LEU HA 1.0 0.0 4.39 339 339 A 76 SER HA A 77 LEU HA 1.0 0.0 4.50 340 340 A 78 GLN HA A 77 LEU HA 1.0 0.0 4.97 341 341 A 80 ILE HG1y A 77 LEU HA 1.0 0.0 3.40 342 342 A 80 ILE HB A 77 LEU HA 1.0 0.0 4.02 343 343 A 44 ALA HB% A 77 LEU HA 1.0 0.0 3.82 344 344 A 77 LEU HA A 80 ILE HG1x 1.0 0.0 3.64 345 345 A 78 GLN H A 77 LEU HDx% 1.0 0.0 4.85 346 346 A 77 LEU H A 77 LEU HDy% 1.0 0.0 4.91 347 347 A 41 ALA HA A 77 LEU HDx% 1.0 0.0 3.46 348 348 A 41 ALA HA A 77 LEU HDy% 1.0 0.0 3.46 349 349 A 41 ALA HB% A 77 LEU HDx% 1.0 0.0 3.67 350 350 A 77 LEU HBy A 77 LEU HDx% 1.0 0.0 3.66 351 351 A 77 LEU HBy A 77 LEU HDy% 1.0 0.0 3.66 352 352 A 77 LEU HBx A 77 LEU HDx% 1.0 0.0 3.49 353 353 A 77 LEU HBx A 77 LEU HDy% 1.0 0.0 3.49 354 354 A 76 SER HA A 79 ASP H 1.0 0.0 4.80 355 355 A 76 SER HBx A 78 GLN H 1.0 0.0 4.75 356 356 A 76 SER HBy A 77 LEU H 1.0 0.0 4.65 357 357 A 76 SER HBx A 77 LEU H 1.0 0.0 4.24 358 358 A 76 SER HBx A 76 SER H 1.0 0.0 3.83 359 359 A 76 SER H A 76 SER HBy 1.0 0.0 3.90 360 360 A 76 SER HBy A 79 ASP HBy 1.0 0.0 4.57 361 361 A 76 SER HBy A 79 ASP HBx 1.0 0.0 4.57 362 362 A 76 SER HBx A 79 ASP HBx 1.0 0.0 4.19 363 363 A 76 SER HBx A 78 GLN HBx 1.0 0.0 4.16 364 364 A 106 VAL HB A 87 TRP HBx 1.0 0.0 3.80 365 365 A 106 VAL HB A 87 TRP HBy 1.0 0.0 3.40 366 366 A 92 THR HB A 74 TRP HBy 1.0 0.0 4.42 367 367 A 92 THR HB A 74 TRP HBx 1.0 0.0 4.42 368 368 A 26 THR H A 26 THR HG2% 1.0 0.0 4.17 369 369 A 26 THR HG2% A 26 THR HA 1.0 0.0 3.27 370 370 A 34 LYS HGx A 33 PRO HA 1.0 0.0 3.94 371 371 A 50 ASP H A 49 ARG HGx 1.0 0.0 5.50 372 372 A 50 ASP H A 49 ARG HGy 1.0 0.0 5.50 373 373 A 49 ARG H A 49 ARG HGx 1.0 0.0 5.31 374 374 A 49 ARG H A 49 ARG HGy 1.0 0.0 5.31 375 375 A 98 ALA HB% A 95 GLY HAx 1.0 0.0 3.61 376 376 A 38 LEU HDy% A 42 GLY HAx 1.0 0.0 3.22 377 377 A 67 GLY H A 66 VAL HGy% 1.0 0.0 4.13 378 378 A 107 ASP H A 110 ALA HB% 1.0 0.0 4.97 379 379 A 110 ALA HB% A 109 LYS H 1.0 0.0 4.46 380 380 A 112 MET HA A 110 ALA HB% 1.0 0.0 5.01 381 381 A 110 ALA HB% A 107 ASP HA 1.0 0.0 4.81 382 382 A 110 ALA HB% A 108 CYS HA 1.0 0.0 5.45 383 383 A 111 GLY HAx A 110 ALA HB% 1.0 0.0 4.72 384 384 A 110 ALA HB% A 111 GLY HAy 1.0 0.0 4.63 385 385 A 107 ASP HBx A 110 ALA HB% 1.0 0.0 3.06 386 386 A 107 ASP HBy A 110 ALA HB% 1.0 0.0 3.09 387 387 A 31 THR H A 30 VAL HGy% 1.0 0.0 4.79 388 388 A 49 ARG HA A 49 ARG HDx 1.0 0.0 5.33 389 389 A 49 ARG HA A 49 ARG HDy 1.0 0.0 5.33 390 390 A 52 GLN HA A 52 GLN HGx 1.0 0.0 4.04 391 391 A 52 GLN HA A 52 GLN HGy 1.0 0.0 4.04 392 392 A 49 ARG HA A 49 ARG HGx 1.0 0.0 4.03 393 393 A 49 ARG HA A 49 ARG HGy 1.0 0.0 4.03 394 394 A 85 ASP H A 84 ASP HBy 1.0 0.0 3.54 395 395 A 86 LYS H A 84 ASP HBy 1.0 0.0 5.15 396 396 A 86 LYS HDy A 84 ASP HBx 1.0 0.0 5.50 397 397 A 51 TYR HBy A 52 GLN H 1.0 0.0 5.13 398 398 A 51 TYR HEy A 51 TYR HBx 1.0 0.0 4.89 399 399 A 34 LYS HA A 34 LYS HBy 1.0 0.0 3.02 400 400 A 34 LYS HGx A 34 LYS HA 1.0 0.0 3.49 401 401 A 34 LYS HGy A 34 LYS HA 1.0 0.0 3.79 402 402 A 50 ASP H A 48 LYS HA 1.0 0.0 4.70 403 403 A 52 GLN H A 48 LYS HA 1.0 0.0 5.09 404 404 A 48 LYS HA A 48 LYS HGy 1.0 0.0 3.98 405 405 A 48 LYS HA A 48 LYS HGx 1.0 0.0 3.98 406 406 A 43 ILE HG2% A 43 ILE HA 1.0 0.0 3.73 407 407 A 46 SER H A 48 LYS HDx 1.0 0.0 5.50 408 408 A 48 LYS H A 48 LYS HDx 1.0 0.0 4.30 409 409 A 109 LYS HGx A 85 ASP HBx 1.0 0.0 4.32 410 410 A 109 LYS HGy A 36 GLU HA 1.0 0.0 4.37 411 411 A 51 TYR HEx A 47 VAL HA 1.0 0.0 4.40 412 412 A 47 VAL HA A 50 ASP HA 1.0 0.0 5.39 413 413 A 50 ASP HBx A 47 VAL HA 1.0 0.0 4.30 414 414 A 47 VAL HA A 50 ASP HBy 1.0 0.0 3.91 415 415 A 47 VAL HA A 47 VAL HGx% 1.0 0.0 3.29 416 416 A 49 ARG H A 46 SER HA 1.0 0.0 3.87 417 417 A 46 SER HA A 45 ALA HB% 1.0 0.0 4.06 418 418 A 45 ALA HA A 47 VAL H 1.0 0.0 5.09 419 419 A 43 ILE H A 41 ALA HA 1.0 0.0 4.76 420 420 A 45 ALA HA A 44 ALA H 1.0 0.0 5.50 421 421 A 48 LYS H A 45 ALA HA 1.0 0.0 3.75 422 422 A 41 ALA HA A 45 ALA H 1.0 0.0 5.23 423 423 A 44 ALA HA A 45 ALA HA 1.0 0.0 4.82 424 424 A 40 ALA HA A 41 ALA HA 1.0 0.0 4.83 425 425 A 44 ALA HB% A 45 ALA HA 1.0 0.0 3.89 426 426 A 77 LEU HBx A 41 ALA HA 1.0 0.0 4.68 427 427 A 43 ILE H A 45 ALA HB% 1.0 0.0 5.13 428 428 A 45 ALA HB% A 44 ALA H 1.0 0.0 4.62 429 429 A 48 LYS H A 45 ALA HB% 1.0 0.0 5.40 430 430 A 49 ARG H A 45 ALA HB% 1.0 0.0 5.50 431 431 A 42 GLY HAx A 45 ALA HB% 1.0 0.0 4.27 432 432 A 46 SER H A 44 ALA HA 1.0 0.0 4.57 433 433 A 48 LYS H A 44 ALA HA 1.0 0.0 4.72 434 434 A 47 VAL HB A 44 ALA HA 1.0 0.0 4.07 435 435 A 75 VAL HB A 44 ALA HA 1.0 0.0 5.01 436 436 A 44 ALA HA A 80 ILE HG1x 1.0 0.0 4.20 437 437 A 40 ALA HA A 44 ALA H 1.0 0.0 4.11 438 438 A 40 ALA HA A 87 TRP HE3 1.0 0.0 4.88 439 439 A 40 ALA HA A 87 TRP HZ3 1.0 0.0 4.15 440 440 A 40 ALA HA A 80 ILE HG2% 1.0 0.0 3.20 441 441 A 40 ALA HA A 43 ILE HG1y 1.0 0.0 4.32 442 442 A 40 ALA HA A 43 ILE HG2% 1.0 0.0 3.32 443 443 A 44 ALA HB% A 76 SER HA 1.0 0.0 4.76 444 444 A 43 ILE HD1% A 44 ALA H 1.0 0.0 4.71 445 445 A 43 ILE HD1% A 35 CYS H 1.0 0.0 5.50 446 446 A 46 SER H A 43 ILE HD1% 1.0 0.0 5.50 447 447 A 38 LEU H A 43 ILE HD1% 1.0 0.0 5.10 448 448 A 43 ILE HD1% A 87 TRP HH2 1.0 0.0 5.30 449 449 A 87 TRP HD1 A 43 ILE HD1% 1.0 0.0 4.46 450 450 A 35 CYS HA A 43 ILE HD1% 1.0 0.0 4.60 451 451 A 35 CYS HBy A 43 ILE HD1% 1.0 0.0 3.44 452 452 A 43 ILE HD1% A 43 ILE HA 1.0 0.0 3.28 453 453 A 40 ALA HA A 43 ILE HD1% 1.0 0.0 4.57 454 454 A 35 CYS HBx A 43 ILE HD1% 1.0 0.0 3.94 455 455 A 38 LEU HBx A 43 ILE HD1% 1.0 0.0 3.65 456 456 A 38 LEU HG A 43 ILE HD1% 1.0 0.0 4.46 457 457 A 38 LEU HBy A 43 ILE HD1% 1.0 0.0 3.91 458 458 A 43 ILE HD1% A 38 LEU HDx% 1.0 0.0 3.07 459 459 A 43 ILE H A 43 ILE HG1y 1.0 0.0 3.83 460 460 A 44 ALA H A 43 ILE HG1y 1.0 0.0 5.13 461 461 A 87 TRP HZ2 A 43 ILE HG1y 1.0 0.0 5.18 462 462 A 43 ILE HA A 43 ILE HG1y 1.0 0.0 4.11 463 463 A 38 LEU HBx A 43 ILE HG1y 1.0 0.0 4.68 464 464 A 40 ALA HB% A 43 ILE HG1y 1.0 0.0 4.99 465 465 A 80 ILE HG2% A 43 ILE HG1y 1.0 0.0 3.88 466 466 A 43 ILE HG2% A 43 ILE HG1y 1.0 0.0 3.57 467 467 A 43 ILE H A 43 ILE HG1x 1.0 0.0 4.26 468 468 A 87 TRP HD1 A 43 ILE HG1x 1.0 0.0 5.06 469 469 A 43 ILE HG1x A 35 CYS HBy 1.0 0.0 5.22 470 470 A 40 ALA HA A 43 ILE HG1x 1.0 0.0 4.83 471 471 A 38 LEU HBx A 43 ILE HG1x 1.0 0.0 4.68 472 472 A 43 ILE HG1x A 80 ILE HG2% 1.0 0.0 4.82 473 473 A 43 ILE HG1x A 43 ILE HG2% 1.0 0.0 3.72 474 474 A 87 TRP HE1 A 43 ILE HG1y 1.0 0.0 5.11 475 475 A 88 SER H A 43 ILE HG2% 1.0 0.0 5.05 476 476 A 87 TRP H A 43 ILE HG2% 1.0 0.0 5.48 477 477 A 43 ILE HG2% A 44 ALA H 1.0 0.0 3.27 478 478 A 46 SER H A 43 ILE HG2% 1.0 0.0 4.95 479 479 A 48 LYS H A 43 ILE HG2% 1.0 0.0 5.46 480 480 A 43 ILE HG2% A 45 ALA H 1.0 0.0 4.90 481 481 A 43 ILE HG2% A 87 TRP HZ2 1.0 0.0 5.36 482 482 A 87 TRP HE3 A 43 ILE HG2% 1.0 0.0 4.04 483 483 A 87 TRP HD1 A 43 ILE HG2% 1.0 0.0 4.05 484 484 A 87 TRP HA A 43 ILE HG2% 1.0 0.0 4.88 485 485 A 89 VAL HA A 43 ILE HG2% 1.0 0.0 5.50 486 486 A 44 ALA HA A 43 ILE HG2% 1.0 0.0 3.14 487 487 A 87 TRP HBx A 43 ILE HG2% 1.0 0.0 3.52 488 488 A 87 TRP HBy A 43 ILE HG2% 1.0 0.0 3.72 489 489 A 47 VAL HB A 43 ILE HG2% 1.0 0.0 4.22 490 490 A 106 VAL HB A 43 ILE HG2% 1.0 0.0 4.41 491 491 A 44 ALA HB% A 43 ILE HG2% 1.0 0.0 3.54 492 492 A 80 ILE HG2% A 43 ILE HG2% 1.0 0.0 2.81 493 493 A 43 ILE HD1% A 43 ILE HG2% 1.0 0.0 3.39 494 494 A 87 TRP HE1 A 43 ILE HG2% 1.0 0.0 4.49 495 495 A 42 GLY HAy A 41 ALA H 1.0 0.0 5.50 496 496 A 41 ALA H A 42 GLY HAx 1.0 0.0 5.09 497 497 A 38 LEU HA A 42 GLY HAx 1.0 0.0 5.06 498 498 A 42 GLY HAy A 38 LEU HBx 1.0 0.0 5.34 499 499 A 42 GLY HAy A 45 ALA HB% 1.0 0.0 3.44 500 500 A 43 ILE H A 41 ALA HB% 1.0 0.0 4.38 501 501 A 39 ASP H A 41 ALA HB% 1.0 0.0 4.39 502 502 A 41 ALA HB% A 42 GLY HAx 1.0 0.0 4.03 503 503 A 41 ALA HB% A 77 LEU HDy% 1.0 0.0 3.67 504 504 A 38 LEU HA A 38 LEU HG 1.0 0.0 3.57 505 505 A 38 LEU HBx A 37 ASP H 1.0 0.0 5.50 506 506 A 38 LEU HBy A 43 ILE H 1.0 0.0 5.49 507 507 A 38 LEU H A 38 LEU HBx 1.0 0.0 3.67 508 508 A 38 LEU HBy A 39 ASP H 1.0 0.0 4.25 509 509 A 35 CYS HA A 38 LEU HBy 1.0 0.0 5.04 510 510 A 38 LEU HBx A 35 CYS HBy 1.0 0.0 4.00 511 511 A 38 LEU HBx A 42 GLY HAx 1.0 0.0 4.48 512 512 A 38 LEU HBy A 35 CYS HBy 1.0 0.0 4.05 513 513 A 38 LEU HBy A 42 GLY HAx 1.0 0.0 5.46 514 514 A 38 LEU HBy A 43 ILE HA 1.0 0.0 5.50 515 515 A 35 CYS HBx A 38 LEU HBy 1.0 0.0 4.47 516 516 A 38 LEU HBy A 38 LEU HDx% 1.0 0.0 3.14 517 517 A 38 LEU HBy A 43 ILE HG1y 1.0 0.0 5.34 518 518 A 43 ILE H A 38 LEU HDx% 1.0 0.0 4.51 519 519 A 42 GLY H A 38 LEU HDx% 1.0 0.0 4.95 520 520 A 46 SER H A 38 LEU HDx% 1.0 0.0 5.39 521 521 A 39 ASP H A 38 LEU HDx% 1.0 0.0 4.48 522 522 A 38 LEU HA A 38 LEU HDx% 1.0 0.0 3.99 523 523 A 34 LYS HA A 38 LEU HDx% 1.0 0.0 5.48 524 524 A 38 LEU HDx% A 46 SER HA 1.0 0.0 5.50 525 525 A 35 CYS HBy A 38 LEU HDx% 1.0 0.0 3.20 526 526 A 38 LEU HDx% A 43 ILE HA 1.0 0.0 3.77 527 527 A 35 CYS HBx A 38 LEU HDx% 1.0 0.0 3.42 528 528 A 38 LEU HBx A 38 LEU HDx% 1.0 0.0 3.19 529 529 A 43 ILE HG1x A 38 LEU HDx% 1.0 0.0 4.95 530 530 A 38 LEU HDx% A 35 CYS H 1.0 0.0 4.71 531 531 A 36 GLU HA A 36 GLU H 1.0 0.0 2.90 532 532 A 36 GLU HA A 35 CYS H 1.0 0.0 4.34 533 533 A 38 LEU H A 36 GLU HA 1.0 0.0 4.87 534 534 A 35 CYS HA A 36 GLU HA 1.0 0.0 5.06 535 535 A 36 GLU HA A 37 ASP HA 1.0 0.0 4.79 536 536 A 36 GLU HA A 109 LYS HEx 1.0 0.0 5.50 537 537 A 36 GLU HA A 109 LYS HEy 1.0 0.0 5.50 538 538 A 108 CYS HBx A 36 GLU HA 1.0 0.0 3.66 539 539 A 36 GLU HBx A 36 GLU HA 1.0 0.0 2.99 540 540 A 36 GLU HBx A 37 ASP H 1.0 0.0 3.33 541 541 A 52 GLN H A 53 GLN HBx 1.0 0.0 5.50 542 542 A 52 GLN H A 53 GLN HBy 1.0 0.0 5.50 543 543 A 80 ILE HG1y A 44 ALA H 1.0 0.0 5.38 544 544 A 80 ILE HG1y A 81 GLN H 1.0 0.0 5.50 545 545 A 37 ASP HA A 36 GLU HBy 1.0 0.0 4.72 546 546 A 36 GLU H A 36 GLU HGx 1.0 0.0 3.69 547 547 A 35 CYS H A 36 GLU HGx 1.0 0.0 5.50 548 548 A 35 CYS H A 36 GLU HGy 1.0 0.0 5.50 549 549 A 36 GLU H A 35 CYS HBy 1.0 0.0 4.47 550 550 A 35 CYS HBx A 36 GLU H 1.0 0.0 5.38 551 551 A 38 LEU H A 35 CYS HBy 1.0 0.0 4.86 552 552 A 38 LEU H A 35 CYS HBx 1.0 0.0 5.50 553 553 A 85 ASP HBy A 108 CYS HBy 1.0 0.0 3.68 554 554 A 108 CYS HBy A 35 CYS HBy 1.0 0.0 5.02 555 555 A 35 CYS HBx A 108 CYS HBx 1.0 0.0 4.69 556 556 A 108 CYS HBx A 35 CYS HBy 1.0 0.0 4.59 557 557 A 35 CYS HBy A 43 ILE HG1y 1.0 0.0 4.59 558 558 A 35 CYS HBy A 43 ILE HG2% 1.0 0.0 5.50 559 559 A 35 CYS HBx A 38 LEU HBx 1.0 0.0 4.54 560 560 A 35 CYS HBx A 43 ILE HG1y 1.0 0.0 4.81 561 561 A 108 CYS H A 34 LYS HBy 1.0 0.0 4.73 562 562 A 34 LYS H A 34 LYS HBx 1.0 0.0 3.77 563 563 A 32 PHE H A 33 PRO HDx 1.0 0.0 5.50 564 564 A 32 PHE H A 33 PRO HDy 1.0 0.0 5.50 565 565 A 31 THR H A 31 THR HB 1.0 0.0 3.47 566 566 A 32 PHE H A 31 THR HB 1.0 0.0 4.40 567 567 A 31 THR HB A 30 VAL HA 1.0 0.0 4.98 568 568 A 36 GLU H A 36 GLU HGy 1.0 0.0 3.69 569 569 A 26 THR H A 25 GLU HBx 1.0 0.0 5.15 570 570 A 26 THR H A 25 GLU HBy 1.0 0.0 5.15 571 571 A 25 GLU H A 25 GLU HGx 1.0 0.0 5.05 572 572 A 25 GLU H A 25 GLU HGy 1.0 0.0 5.05 573 573 A 26 THR H A 25 GLU HGx 1.0 0.0 5.50 574 574 A 26 THR H A 25 GLU HGy 1.0 0.0 5.50 575 575 A 87 TRP HD1 A 87 TRP H 1.0 0.0 3.48 576 576 A 87 TRP HD1 A 86 LYS HA 1.0 0.0 3.65 577 577 A 87 TRP HD1 A 108 CYS HBy 1.0 0.0 4.83 578 578 A 87 TRP HD1 A 87 TRP HBy 1.0 0.0 3.35 579 579 A 87 TRP HD1 A 106 VAL HB 1.0 0.0 3.45 580 580 A 87 TRP HD1 A 43 ILE HG1y 1.0 0.0 4.53 581 581 A 106 VAL HGx% A 87 TRP HD1 1.0 0.0 3.55 582 582 A 106 VAL HGy% A 87 TRP HD1 1.0 0.0 4.48 583 583 A 87 TRP HBx A 87 TRP HE3 1.0 0.0 3.59 584 584 A 87 TRP HBx A 87 TRP HZ3 1.0 0.0 5.06 585 585 A 39 ASP HA A 87 TRP HH2 1.0 0.0 4.05 586 586 A 40 ALA HA A 87 TRP HH2 1.0 0.0 4.14 587 587 A 40 ALA HB% A 87 TRP HH2 1.0 0.0 3.42 588 588 A 80 ILE HG2% A 87 TRP HH2 1.0 0.0 4.03 589 589 A 39 ASP HA A 87 TRP HZ2 1.0 0.0 3.70 590 590 A 40 ALA HA A 87 TRP HZ2 1.0 0.0 5.00 591 591 A 43 ILE HD1% A 87 TRP HZ2 1.0 0.0 4.49 592 592 A 74 TRP H A 74 TRP HD1 1.0 0.0 4.39 593 593 A 74 TRP HD1 A 74 TRP HA 1.0 0.0 4.86 594 594 A 92 THR HB A 74 TRP HD1 1.0 0.0 4.28 595 595 A 74 TRP HE3 A 74 TRP HA 1.0 0.0 4.35 596 596 A 50 ASP HBx A 51 TYR HDx 1.0 0.0 4.36 597 597 A 51 TYR HEy A 50 ASP HBx 1.0 0.0 5.24 598 598 A 51 TYR HEy A 104 VAL HGy% 1.0 0.0 3.31 599 599 A 51 TYR HEy A 104 VAL HGx% 1.0 0.0 3.86 600 600 A 51 TYR HEx A 51 TYR HBy 1.0 0.0 4.71 601 601 A 51 TYR HEx A 75 VAL HB 1.0 0.0 5.34 602 602 A 31 THR HA A 32 PHE HDy 1.0 0.0 4.65 603 603 A 34 LYS HGx A 32 PHE HDx 1.0 0.0 4.29 604 604 A 34 LYS HA A 32 PHE HEx 1.0 0.0 4.49 605 605 A 52 GLN H A 53 GLN H 1.0 0.0 4.03 606 606 A 53 GLN H A 53 GLN HBx 1.0 0.0 4.02 607 607 A 53 GLN H A 53 GLN HBy 1.0 0.0 4.02 608 608 A 51 TYR HBy A 51 TYR H 1.0 0.0 3.40 609 609 A 50 ASP HBy A 51 TYR H 1.0 0.0 3.85 610 610 A 48 LYS HA A 51 TYR H 1.0 0.0 4.06 611 611 A 47 VAL HA A 51 TYR H 1.0 0.0 5.07 612 612 A 92 THR H A 92 THR HB 1.0 0.0 3.86 613 613 A 92 THR H A 74 TRP H 1.0 0.0 4.32 614 614 A 92 THR H A 91 LEU HA 1.0 0.0 3.35 615 615 A 92 THR H A 100 ILE HD1% 1.0 0.0 5.11 616 616 A 78 GLN HBx A 77 LEU H 1.0 0.0 4.99 617 617 A 76 SER HA A 77 LEU H 1.0 0.0 2.80 618 618 A 77 LEU HBx A 77 LEU H 1.0 0.0 3.11 619 619 A 77 LEU HBy A 77 LEU H 1.0 0.0 3.23 620 620 A 44 ALA HB% A 77 LEU H 1.0 0.0 4.51 621 621 A 77 LEU H A 77 LEU HDx% 1.0 0.0 4.91 622 622 A 74 TRP H A 74 TRP HE1 1.0 0.0 5.32 623 623 A 104 VAL HA A 89 VAL H 1.0 0.0 5.08 624 624 A 106 VAL HGy% A 89 VAL H 1.0 0.0 4.13 625 625 A 105 SER HA A 89 VAL H 1.0 0.0 4.62 626 626 A 88 SER HBx A 89 VAL H 1.0 0.0 4.08 627 627 A 88 SER HBy A 89 VAL H 1.0 0.0 4.51 628 628 A 89 VAL HB A 89 VAL H 1.0 0.0 3.06 629 629 A 104 VAL HB A 89 VAL H 1.0 0.0 3.59 630 630 A 104 VAL HGy% A 89 VAL H 1.0 0.0 4.34 631 631 A 104 VAL HGx% A 89 VAL H 1.0 0.0 4.31 632 632 A 87 TRP H A 106 VAL H 1.0 0.0 3.46 633 633 A 87 TRP HBx A 106 VAL H 1.0 0.0 5.00 634 634 A 87 TRP HBy A 106 VAL H 1.0 0.0 4.13 635 635 A 106 VAL HB A 106 VAL H 1.0 0.0 3.19 636 636 A 106 VAL HGy% A 106 VAL H 1.0 0.0 3.26 637 637 A 105 SER HA A 106 VAL H 1.0 0.0 2.79 638 638 A 106 VAL HGx% A 106 VAL H 1.0 0.0 3.89 639 639 A 46 SER H A 43 ILE H 1.0 0.0 4.99 640 640 A 38 LEU HBx A 43 ILE H 1.0 0.0 3.91 641 641 A 43 ILE H A 41 ALA H 1.0 0.0 4.01 642 642 A 43 ILE H A 40 ALA HA 1.0 0.0 3.54 643 643 A 38 LEU HDy% A 43 ILE H 1.0 0.0 3.92 644 644 A 43 ILE H A 43 ILE HD1% 1.0 0.0 3.60 645 645 A 43 ILE H A 43 ILE HG2% 1.0 0.0 3.62 646 646 A 94 ARG H A 74 TRP HD1 1.0 0.0 4.95 647 647 A 94 ARG H A 73 ALA HA 1.0 0.0 5.37 648 648 A 94 ARG H A 93 VAL HA 1.0 0.0 2.73 649 649 A 93 VAL HB A 94 ARG H 1.0 0.0 4.25 650 650 A 94 ARG H A 94 ARG HGy 1.0 0.0 4.20 651 651 A 94 ARG H A 94 ARG HGx 1.0 0.0 4.20 652 652 A 107 ASP H A 106 VAL H 1.0 0.0 4.73 653 653 A 107 ASP H A 86 LYS HA 1.0 0.0 5.50 654 654 A 112 MET HA A 107 ASP H 1.0 0.0 5.50 655 655 A 113 ALA HA A 107 ASP H 1.0 0.0 3.79 656 656 A 107 ASP H A 108 CYS HA 1.0 0.0 4.73 657 657 A 107 ASP H A 106 VAL HA 1.0 0.0 2.53 658 658 A 107 ASP H A 111 GLY HAy 1.0 0.0 4.82 659 659 A 107 ASP HBy A 107 ASP H 1.0 0.0 3.09 660 660 A 107 ASP H A 34 LYS HDx 1.0 0.0 4.54 661 661 A 107 ASP H A 106 VAL HB 1.0 0.0 4.87 662 662 A 113 ALA HB% A 107 ASP H 1.0 0.0 3.89 663 663 A 106 VAL HGy% A 107 ASP H 1.0 0.0 4.06 664 664 A 107 ASP H A 86 LYS HGx 1.0 0.0 5.30 665 665 A 87 TRP HA A 81 GLN H 1.0 0.0 4.90 666 666 A 80 ILE HA A 81 GLN H 1.0 0.0 2.45 667 667 A 88 SER HBx A 81 GLN H 1.0 0.0 3.96 668 668 A 88 SER HBy A 81 GLN H 1.0 0.0 5.02 669 669 A 87 TRP HBx A 81 GLN H 1.0 0.0 4.40 670 670 A 81 GLN H A 81 GLN HGx 1.0 0.0 4.17 671 671 A 81 GLN H A 81 GLN HGy 1.0 0.0 4.17 672 672 A 80 ILE HG2% A 81 GLN H 1.0 0.0 2.89 673 673 A 81 GLN H A 80 ILE HD1% 1.0 0.0 3.94 674 674 A 88 SER H A 81 GLN H 1.0 0.0 3.31 675 675 A 105 SER H A 106 VAL H 1.0 0.0 4.39 676 676 A 104 VAL HA A 105 SER H 1.0 0.0 2.97 677 677 A 105 SER H A 104 VAL HB 1.0 0.0 4.22 678 678 A 105 SER H A 104 VAL HGy% 1.0 0.0 4.14 679 679 A 106 VAL HGy% A 105 SER H 1.0 0.0 4.47 680 680 A 104 VAL HGx% A 105 SER H 1.0 0.0 3.32 681 681 A 83 LYS H A 84 ASP H 1.0 0.0 4.51 682 682 A 86 LYS H A 84 ASP H 1.0 0.0 4.81 683 683 A 84 ASP H A 84 ASP HA 1.0 0.0 2.43 684 684 A 83 LYS HA A 84 ASP H 1.0 0.0 2.41 685 685 A 84 ASP HBy A 84 ASP H 1.0 0.0 3.47 686 686 A 84 ASP HBx A 84 ASP H 1.0 0.0 3.86 687 687 A 43 ILE H A 44 ALA H 1.0 0.0 3.10 688 688 A 41 ALA HA A 44 ALA H 1.0 0.0 4.18 689 689 A 40 ALA HB% A 44 ALA H 1.0 0.0 4.62 690 690 A 44 ALA HB% A 44 ALA H 1.0 0.0 2.64 691 691 A 80 ILE HG1x A 44 ALA H 1.0 0.0 3.42 692 692 A 80 ILE HD1% A 44 ALA H 1.0 0.0 3.61 693 693 A 48 LYS H A 47 VAL H 1.0 0.0 3.70 694 694 A 44 ALA HA A 47 VAL H 1.0 0.0 3.84 695 695 A 47 VAL HB A 47 VAL H 1.0 0.0 3.09 696 696 A 43 ILE HG2% A 47 VAL H 1.0 0.0 4.45 697 697 A 72 VAL H A 71 PRO HBx 1.0 0.0 3.94 698 698 A 72 VAL H A 71 PRO HBy 1.0 0.0 4.55 699 699 A 72 VAL H A 73 ALA H 1.0 0.0 4.71 700 700 A 96 LYS H A 98 ALA H 1.0 0.0 4.41 701 701 A 95 GLY HAx A 98 ALA H 1.0 0.0 3.85 702 702 A 98 ALA HB% A 98 ALA H 1.0 0.0 3.51 703 703 A 36 GLU H A 35 CYS H 1.0 0.0 3.64 704 704 A 38 LEU H A 36 GLU H 1.0 0.0 4.55 705 705 A 35 CYS HA A 36 GLU H 1.0 0.0 3.13 706 706 A 108 CYS HBx A 36 GLU H 1.0 0.0 4.20 707 707 A 36 GLU HBx A 36 GLU H 1.0 0.0 3.66 708 708 A 36 GLU H A 36 GLU HBy 1.0 0.0 2.89 709 709 A 36 GLU H A 38 LEU HDx% 1.0 0.0 4.46 710 710 A 80 ILE H A 78 GLN H 1.0 0.0 4.16 711 711 A 76 SER H A 80 ILE H 1.0 0.0 5.26 712 712 A 90 PRO HGy A 80 ILE H 1.0 0.0 4.44 713 713 A 80 ILE H A 80 ILE HG1y 1.0 0.0 2.76 714 714 A 80 ILE H A 80 ILE HB 1.0 0.0 2.52 715 715 A 80 ILE H A 81 GLN H 1.0 0.0 4.50 716 716 A 80 ILE H A 79 ASP H 1.0 0.0 2.57 717 717 A 80 ILE H A 79 ASP HA 1.0 0.0 3.44 718 718 A 80 ILE H A 77 LEU HA 1.0 0.0 3.40 719 719 A 80 ILE H A 79 ASP HBy 1.0 0.0 4.11 720 720 A 80 ILE H A 79 ASP HBx 1.0 0.0 4.11 721 721 A 80 ILE H A 40 ALA HB% 1.0 0.0 4.25 722 722 A 106 VAL HGx% A 87 TRP H 1.0 0.0 4.41 723 723 A 87 TRP H A 86 LYS H 1.0 0.0 4.51 724 724 A 86 LYS HA A 87 TRP H 1.0 0.0 2.69 725 725 A 87 TRP HBx A 87 TRP H 1.0 0.0 3.93 726 726 A 87 TRP HBy A 87 TRP H 1.0 0.0 3.53 727 727 A 87 TRP H A 86 LYS HBy 1.0 0.0 3.42 728 728 A 106 VAL HB A 87 TRP H 1.0 0.0 3.71 729 729 A 86 LYS HGx A 87 TRP H 1.0 0.0 4.45 730 730 A 107 ASP HA A 87 TRP H 1.0 0.0 4.17 731 731 A 80 ILE HG2% A 40 ALA H 1.0 0.0 4.31 732 732 A 41 ALA H A 40 ALA H 1.0 0.0 2.88 733 733 A 39 ASP H A 40 ALA H 1.0 0.0 4.62 734 734 A 87 TRP HZ2 A 40 ALA H 1.0 0.0 4.68 735 735 A 87 TRP HH2 A 40 ALA H 1.0 0.0 3.59 736 736 A 87 TRP HZ3 A 40 ALA H 1.0 0.0 4.69 737 737 A 39 ASP HA A 40 ALA H 1.0 0.0 2.64 738 738 A 40 ALA HB% A 40 ALA H 1.0 0.0 2.40 739 739 A 26 THR HG2% A 25 GLU H 1.0 0.0 4.38 740 740 A 43 ILE HG2% A 40 ALA H 1.0 0.0 5.50 741 741 A 26 THR H A 25 GLU H 1.0 0.0 4.42 742 742 A 25 GLU H A 25 GLU HBy 1.0 0.0 3.81 743 743 A 25 GLU H A 25 GLU HBx 1.0 0.0 3.81 744 744 A 109 LYS HBx A 108 CYS H 1.0 0.0 4.99 745 745 A 107 ASP H A 108 CYS H 1.0 0.0 4.23 746 746 A 108 CYS H A 109 LYS H 1.0 0.0 2.82 747 747 A 108 CYS H A 87 TRP HD1 1.0 0.0 4.34 748 748 A 108 CYS H A 86 LYS HA 1.0 0.0 3.51 749 749 A 108 CYS H A 107 ASP HA 1.0 0.0 2.45 750 750 A 108 CYS H A 85 ASP HA 1.0 0.0 5.01 751 751 A 108 CYS H A 108 CYS HBy 1.0 0.0 2.81 752 752 A 85 ASP HBy A 108 CYS H 1.0 0.0 4.16 753 753 A 108 CYS H A 108 CYS HBx 1.0 0.0 3.68 754 754 A 107 ASP HBy A 108 CYS H 1.0 0.0 4.67 755 755 A 108 CYS H A 86 LYS HGx 1.0 0.0 3.92 756 756 A 106 VAL HGx% A 108 CYS H 1.0 0.0 3.77 757 757 A 104 VAL HA A 114 GLU H 1.0 0.0 5.06 758 758 A 114 GLU H A 106 VAL HA 1.0 0.0 4.45 759 759 A 114 GLU H A 113 ALA HB% 1.0 0.0 3.72 760 760 A 114 GLU H A 113 ALA H 1.0 0.0 4.40 761 761 A 34 LYS H A 36 GLU H 1.0 0.0 5.34 762 762 A 108 CYS H A 34 LYS H 1.0 0.0 5.50 763 763 A 34 LYS H A 33 PRO HA 1.0 0.0 2.40 764 764 A 111 GLY HAy A 34 LYS H 1.0 0.0 4.04 765 765 A 34 LYS H A 34 LYS HBy 1.0 0.0 2.97 766 766 A 34 LYS HGx A 34 LYS H 1.0 0.0 2.76 767 767 A 34 LYS HGy A 34 LYS H 1.0 0.0 3.21 768 768 A 50 ASP HBx A 51 TYR H 1.0 0.0 3.38 769 769 A 52 GLN H A 51 TYR H 1.0 0.0 3.82 770 770 A 51 TYR HEy A 51 TYR H 1.0 0.0 5.50 771 771 A 50 ASP H A 51 TYR H 1.0 0.0 3.53 772 772 A 50 ASP H A 49 ARG H 1.0 0.0 3.20 773 773 A 50 ASP H A 47 VAL HA 1.0 0.0 3.80 774 774 A 50 ASP H A 50 ASP HBx 1.0 0.0 3.47 775 775 A 50 ASP H A 50 ASP HBy 1.0 0.0 3.16 776 776 A 50 ASP H A 51 TYR HDx 1.0 0.0 4.71 777 777 A 108 CYS H A 110 ALA H 1.0 0.0 3.76 778 778 A 109 LYS H A 110 ALA H 1.0 0.0 2.66 779 779 A 108 CYS HA A 110 ALA H 1.0 0.0 4.48 780 780 A 109 LYS HA A 110 ALA H 1.0 0.0 3.49 781 781 A 111 GLY HAy A 110 ALA H 1.0 0.0 4.61 782 782 A 107 ASP HBx A 110 ALA H 1.0 0.0 3.57 783 783 A 109 LYS HBx A 110 ALA H 1.0 0.0 3.30 784 784 A 110 ALA HB% A 110 ALA H 1.0 0.0 2.45 785 785 A 111 GLY HAx A 110 ALA H 1.0 0.0 4.78 786 786 A 107 ASP HBy A 110 ALA H 1.0 0.0 4.74 787 787 A 109 LYS HGy A 110 ALA H 1.0 0.0 4.62 788 788 A 82 GLY H A 83 LYS H 1.0 0.0 4.41 789 789 A 86 LYS H A 83 LYS H 1.0 0.0 3.36 790 790 A 83 LYS H A 82 GLY HAy 1.0 0.0 3.11 791 791 A 83 LYS H A 83 LYS HBx 1.0 0.0 3.83 792 792 A 83 LYS H A 83 LYS HBy 1.0 0.0 3.83 793 793 A 83 LYS H A 82 GLY HAx 1.0 0.0 3.11 794 794 A 83 LYS H A 83 LYS HGx 1.0 0.0 5.49 795 795 A 83 LYS H A 83 LYS HGy 1.0 0.0 5.49 796 796 A 95 GLY H A 96 LYS H 1.0 0.0 4.37 797 797 A 96 LYS H A 95 GLY HAx 1.0 0.0 3.43 798 798 A 29 SER HA A 30 VAL H 1.0 0.0 2.94 799 799 A 30 VAL H A 29 SER HBx 1.0 0.0 5.13 800 800 A 30 VAL H A 29 SER HBy 1.0 0.0 5.13 801 801 A 30 VAL H A 30 VAL HGy% 1.0 0.0 4.05 802 802 A 30 VAL H A 30 VAL HGx% 1.0 0.0 4.05 803 803 A 111 GLY H A 109 LYS H 1.0 0.0 4.18 804 804 A 109 LYS H A 85 ASP HA 1.0 0.0 4.84 805 805 A 109 LYS H A 108 CYS HBy 1.0 0.0 3.62 806 806 A 85 ASP HBy A 109 LYS H 1.0 0.0 3.41 807 807 A 109 LYS H A 85 ASP HBx 1.0 0.0 4.07 808 808 A 109 LYS HBx A 109 LYS H 1.0 0.0 2.63 809 809 A 109 LYS HGy A 109 LYS H 1.0 0.0 3.20 810 810 A 109 LYS HGx A 109 LYS H 1.0 0.0 3.74 811 811 A 43 ILE H A 39 ASP H 1.0 0.0 4.16 812 812 A 39 ASP H A 41 ALA H 1.0 0.0 4.38 813 813 A 38 LEU HA A 39 ASP H 1.0 0.0 2.50 814 814 A 39 ASP H A 42 GLY HAx 1.0 0.0 3.78 815 815 A 39 ASP H A 39 ASP HBy 1.0 0.0 3.82 816 816 A 39 ASP H A 39 ASP HBx 1.0 0.0 3.82 817 817 A 38 LEU HBx A 39 ASP H 1.0 0.0 3.43 818 818 A 38 LEU HDy% A 39 ASP H 1.0 0.0 3.04 819 819 A 38 LEU H A 39 ASP H 1.0 0.0 4.75 820 820 A 112 MET H A 113 ALA HB% 1.0 0.0 4.80 821 821 A 112 MET H A 107 ASP H 1.0 0.0 3.42 822 822 A 112 MET H A 111 GLY H 1.0 0.0 3.17 823 823 A 112 MET H A 111 GLY HAy 1.0 0.0 3.06 824 824 A 112 MET H A 107 ASP HBx 1.0 0.0 3.37 825 825 A 112 MET H A 107 ASP HBy 1.0 0.0 3.25 826 826 A 112 MET H A 112 MET HGx 1.0 0.0 3.64 827 827 A 112 MET H A 112 MET HBy 1.0 0.0 3.08 828 828 A 112 MET H A 34 LYS HGx 1.0 0.0 4.99 829 829 A 112 MET H A 110 ALA HB% 1.0 0.0 3.68 830 830 A 112 MET H A 106 VAL HGx% 1.0 0.0 4.62 831 831 A 87 TRP H A 88 SER H 1.0 0.0 4.46 832 832 A 88 SER H A 87 TRP HE3 1.0 0.0 3.87 833 833 A 88 SER H A 87 TRP HA 1.0 0.0 2.54 834 834 A 88 SER H A 81 GLN HA 1.0 0.0 4.83 835 835 A 88 SER H A 88 SER HBx 1.0 0.0 3.01 836 836 A 87 TRP HBx A 88 SER H 1.0 0.0 3.21 837 837 A 87 TRP HBy A 88 SER H 1.0 0.0 3.74 838 838 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.61 839 839 A 48 LYS H A 48 LYS HDy 1.0 0.0 4.30 840 840 A 112 MET H A 112 MET HBx 1.0 0.0 4.13 841 841 A 43 ILE H A 45 ALA H 1.0 0.0 4.47 842 842 A 44 ALA H A 45 ALA H 1.0 0.0 3.17 843 843 A 48 LYS H A 45 ALA H 1.0 0.0 5.05 844 844 A 42 GLY HAy A 45 ALA H 1.0 0.0 3.63 845 845 A 45 ALA HB% A 45 ALA H 1.0 0.0 2.56 846 846 A 44 ALA HB% A 45 ALA H 1.0 0.0 2.83 847 847 A 45 ALA H A 48 LYS HDy 1.0 0.0 5.50 848 848 A 45 ALA H A 48 LYS HDx 1.0 0.0 5.50 849 849 A 42 GLY H A 41 ALA H 1.0 0.0 2.79 850 850 A 41 ALA H A 41 ALA HA 1.0 0.0 2.83 851 851 A 41 ALA H A 41 ALA HB% 1.0 0.0 2.40 852 852 A 39 ASP HA A 41 ALA H 1.0 0.0 4.37 853 853 A 49 ARG H A 47 VAL H 1.0 0.0 4.75 854 854 A 49 ARG H A 51 TYR H 1.0 0.0 5.28 855 855 A 80 ILE HA A 79 ASP H 1.0 0.0 4.82 856 856 A 78 GLN H A 79 ASP H 1.0 0.0 3.01 857 857 A 76 SER HBy A 79 ASP H 1.0 0.0 4.24 858 858 A 78 GLN HBx A 79 ASP H 1.0 0.0 3.30 859 859 A 80 ILE HB A 79 ASP H 1.0 0.0 4.48 860 860 A 79 ASP H A 77 LEU H 1.0 0.0 4.02 861 861 A 76 SER HBx A 79 ASP H 1.0 0.0 3.75 862 862 A 34 LYS HGy A 35 CYS H 1.0 0.0 4.24 863 863 A 108 CYS HA A 35 CYS H 1.0 0.0 3.26 864 864 A 35 CYS HBy A 35 CYS H 1.0 0.0 3.96 865 865 A 35 CYS HBx A 35 CYS H 1.0 0.0 3.73 866 866 A 108 CYS HBx A 35 CYS H 1.0 0.0 3.33 867 867 A 34 LYS HBy A 35 CYS H 1.0 0.0 3.36 868 868 A 35 CYS H A 34 LYS HBx 1.0 0.0 4.09 869 869 A 109 LYS H A 35 CYS H 1.0 0.0 4.96 870 870 A 108 CYS HBy A 35 CYS H 1.0 0.0 3.73 871 871 A 99 ASP H A 100 ILE H 1.0 0.0 4.55 872 872 A 99 ASP H A 100 ILE HA 1.0 0.0 4.95 873 873 A 98 ALA HA A 99 ASP H 1.0 0.0 2.68 874 874 A 98 ALA HB% A 99 ASP H 1.0 0.0 3.13 875 875 A 98 ALA H A 99 ASP H 1.0 0.0 4.58 876 876 A 35 CYS HA A 37 ASP H 1.0 0.0 4.35 877 877 A 38 LEU H A 37 ASP H 1.0 0.0 2.94 878 878 A 37 ASP H A 36 GLU HGx 1.0 0.0 5.40 879 879 A 37 ASP H A 36 GLU HGy 1.0 0.0 5.40 880 880 A 37 ASP H A 36 GLU HBy 1.0 0.0 3.48 881 881 A 38 LEU HG A 37 ASP H 1.0 0.0 4.76 882 882 A 38 LEU HDx% A 37 ASP H 1.0 0.0 5.15 883 883 A 78 GLN H A 77 LEU H 1.0 0.0 3.39 884 884 A 78 GLN H A 76 SER HA 1.0 0.0 4.48 885 885 A 78 GLN H A 78 GLN HGx 1.0 0.0 4.37 886 886 A 78 GLN H A 78 GLN HGy 1.0 0.0 4.37 887 887 A 78 GLN HBx A 78 GLN H 1.0 0.0 2.74 888 888 A 78 GLN H A 77 LEU HBx 1.0 0.0 3.30 889 889 A 78 GLN H A 77 LEU HDy% 1.0 0.0 4.85 890 890 A 46 SER H A 47 VAL HB 1.0 0.0 5.23 891 891 A 46 SER H A 48 LYS HDy 1.0 0.0 5.50 892 892 A 46 SER H A 47 VAL H 1.0 0.0 3.05 893 893 A 46 SER H A 45 ALA H 1.0 0.0 2.89 894 894 A 46 SER H A 46 SER HA 1.0 0.0 2.94 895 895 A 46 SER H A 43 ILE HA 1.0 0.0 3.50 896 896 A 46 SER H A 45 ALA HB% 1.0 0.0 2.90 897 897 A 53 GLN H A 51 TYR H 1.0 0.0 4.31 898 898 A 81 GLN HE2y A 82 GLY H 1.0 0.0 3.65 899 899 A 81 GLN HE2y A 81 GLN HA 1.0 0.0 4.29 900 900 A 81 GLN HE2y A 81 GLN HBy 1.0 0.0 3.79 901 901 A 96 LYS H A 97 SER H 1.0 0.0 4.31 902 902 A 98 ALA H A 97 SER H 1.0 0.0 3.59 903 903 A 97 SER H A 96 LYS HBx 1.0 0.0 4.23 904 904 A 97 SER H A 96 LYS HBy 1.0 0.0 4.23 905 905 A 82 GLY H A 87 TRP HZ3 1.0 0.0 4.23 906 906 A 80 ILE HG2% A 82 GLY H 1.0 0.0 4.73 907 907 A 88 SER H A 82 GLY H 1.0 0.0 5.08 908 908 A 82 GLY H A 87 TRP HE3 1.0 0.0 4.14 909 909 A 81 GLN HA A 82 GLY H 1.0 0.0 2.40 910 910 A 83 LYS HA A 82 GLY H 1.0 0.0 4.87 911 911 A 85 ASP H A 83 LYS H 1.0 0.0 4.47 912 912 A 85 ASP H A 84 ASP HBx 1.0 0.0 3.06 913 913 A 85 ASP H A 83 LYS HGx 1.0 0.0 5.50 914 914 A 43 ILE H A 42 GLY H 1.0 0.0 2.81 915 915 A 39 ASP H A 42 GLY H 1.0 0.0 3.35 916 916 A 38 LEU HA A 42 GLY H 1.0 0.0 5.07 917 917 A 42 GLY H A 42 GLY HAx 1.0 0.0 2.61 918 918 A 42 GLY H A 39 ASP HBy 1.0 0.0 5.12 919 919 A 40 ALA HA A 42 GLY H 1.0 0.0 5.24 920 920 A 42 GLY H A 41 ALA HB% 1.0 0.0 2.68 921 921 A 38 LEU HDy% A 42 GLY H 1.0 0.0 3.51 922 922 A 42 GLY H A 43 ILE HB 1.0 0.0 4.62 923 923 A 67 GLY H A 66 VAL HGx% 1.0 0.0 4.13 924 924 A 111 GLY H A 108 CYS H 1.0 0.0 4.20 925 925 A 111 GLY H A 108 CYS HA 1.0 0.0 3.49 926 926 A 109 LYS HBx A 111 GLY H 1.0 0.0 5.24 927 927 A 111 GLY H A 34 LYS HDx 1.0 0.0 4.93 928 928 A 111 GLY H A 34 LYS HGy 1.0 0.0 3.83 929 929 A 107 ASP H A 111 GLY H 1.0 0.0 4.95 930 930 A 111 GLY H A 34 LYS H 1.0 0.0 4.16 931 931 A 111 GLY H A 110 ALA H 1.0 0.0 2.50 932 932 A 112 MET HA A 111 GLY H 1.0 0.0 5.50 933 933 A 111 GLY HAx A 111 GLY H 1.0 0.0 2.84 934 934 A 111 GLY H A 111 GLY HAy 1.0 0.0 2.72 935 935 A 111 GLY H A 107 ASP HBx 1.0 0.0 3.85 936 936 A 107 ASP HBy A 111 GLY H 1.0 0.0 4.25 937 937 A 111 GLY H A 34 LYS HGx 1.0 0.0 4.94 938 938 A 111 GLY H A 110 ALA HB% 1.0 0.0 3.14 939 939 A 113 ALA H A 112 MET HGy 1.0 0.0 4.52 940 940 A 107 ASP HBy A 113 ALA H 1.0 0.0 5.09 941 941 A 86 LYS H A 85 ASP H 1.0 0.0 2.67 942 942 A 86 LYS H A 85 ASP HA 1.0 0.0 3.20 943 943 A 85 ASP HBy A 86 LYS H 1.0 0.0 4.42 944 944 A 86 LYS H A 84 ASP HBx 1.0 0.0 3.75 945 945 A 38 LEU H A 35 CYS HA 1.0 0.0 4.05 946 946 A 38 LEU H A 38 LEU HA 1.0 0.0 2.92 947 947 A 38 LEU H A 36 GLU HBy 1.0 0.0 4.52 948 948 A 86 LYS H A 86 LYS HBx 1.0 0.0 2.73 949 949 A 38 LEU H A 38 LEU HBy 1.0 0.0 2.93 950 950 A 86 LYS HGx A 86 LYS H 1.0 0.0 4.25 951 951 A 38 LEU H A 38 LEU HDx% 1.0 0.0 3.76 952 952 A 31 THR H A 30 VAL HB 1.0 0.0 4.34 953 953 A 73 ALA H A 72 VAL HGx% 1.0 0.0 5.20 954 954 A 73 ALA H A 72 VAL HGy% 1.0 0.0 5.20 955 955 A 73 ALA HB% A 73 ALA H 1.0 0.0 4.14 956 956 A 32 PHE H A 31 THR HA 1.0 0.0 3.55 957 957 A 74 TRP H A 74 TRP HE3 1.0 0.0 5.39 958 958 A 74 TRP H A 73 ALA HB% 1.0 0.0 4.45 959 959 A 93 VAL HB A 100 ILE H 1.0 0.0 5.33 960 960 A 100 ILE H A 99 ASP HBx 1.0 0.0 4.56 961 961 A 100 ILE H A 99 ASP HBy 1.0 0.0 4.56 962 962 A 77 LEU H A 78 GLN HE2y 1.0 0.0 4.22 963 963 A 25 GLU H A 24 ASN HBy 1.0 0.0 4.17 964 963 A 25 GLU H A 24 ASN HBx 1.0 0.0 4.17 965 964 A 25 GLU H A 25 GLU HGy 1.0 0.0 4.31 966 964 A 25 GLU H A 25 GLU HGx 1.0 0.0 4.31 967 965 A 26 THR H A 25 GLU HBy 1.0 0.0 4.33 968 965 A 26 THR H A 25 GLU HBx 1.0 0.0 4.33 969 966 A 26 THR HG2% A 25 GLU HBy 1.0 0.0 4.95 970 966 A 26 THR HG2% A 25 GLU HBx 1.0 0.0 4.95 971 967 A 26 THR H A 25 GLU HGy 1.0 0.0 4.84 972 967 A 26 THR H A 25 GLU HGx 1.0 0.0 4.84 973 968 A 29 SER HA A 30 VAL HGy% 1.0 0.0 4.83 974 968 A 29 SER HA A 30 VAL HGx% 1.0 0.0 4.83 975 969 A 30 VAL H A 29 SER HBy 1.0 0.0 4.38 976 969 A 30 VAL H A 29 SER HBx 1.0 0.0 4.38 977 970 A 30 VAL HA A 29 SER HBy 1.0 0.0 4.98 978 970 A 30 VAL HA A 29 SER HBx 1.0 0.0 4.98 979 971 A 29 SER HBy A 30 VAL HGy% 1.0 0.0 4.85 980 971 A 29 SER HBx A 30 VAL HGy% 1.0 0.0 4.85 981 971 A 30 VAL HGx% A 29 SER HBy 1.0 0.0 4.85 982 971 A 30 VAL HGx% A 29 SER HBx 1.0 0.0 4.85 983 972 A 30 VAL H A 30 VAL HGy% 1.0 0.0 2.92 984 972 A 30 VAL H A 30 VAL HGx% 1.0 0.0 2.92 985 973 A 31 THR H A 30 VAL HGy% 1.0 0.0 3.93 986 973 A 31 THR H A 30 VAL HGx% 1.0 0.0 3.93 987 974 A 31 THR HA A 30 VAL HGy% 1.0 0.0 4.48 988 974 A 31 THR HA A 30 VAL HGx% 1.0 0.0 4.48 989 975 A 30 VAL HGy% A 32 PHE HBy 1.0 0.0 3.85 990 975 A 30 VAL HGx% A 32 PHE HBy 1.0 0.0 3.85 991 975 A 32 PHE HBx A 30 VAL HGy% 1.0 0.0 3.85 992 975 A 30 VAL HGx% A 32 PHE HBx 1.0 0.0 3.85 993 976 A 32 PHE HDy A 30 VAL HGy% 1.0 0.0 4.00 994 976 A 32 PHE HDy A 30 VAL HGx% 1.0 0.0 4.00 995 977 A 32 PHE H A 33 PRO HDy 1.0 0.0 4.78 996 977 A 32 PHE H A 33 PRO HDx 1.0 0.0 4.78 997 978 A 32 PHE HDy A 32 PHE HBy 1.0 0.0 3.17 998 978 A 32 PHE HDy A 32 PHE HBx 1.0 0.0 3.17 999 979 A 32 PHE HDx A 34 LYS HEy 1.0 0.0 4.24 1000 979 A 32 PHE HDx A 34 LYS HEx 1.0 0.0 4.24 1001 980 A 32 PHE HDy A 33 PRO HDy 1.0 0.0 5.34 1002 980 A 32 PHE HDy A 33 PRO HDx 1.0 0.0 5.34 1003 981 A 34 LYS H A 34 LYS HEy 1.0 0.0 4.56 1004 981 A 34 LYS H A 34 LYS HEx 1.0 0.0 4.56 1005 982 A 34 LYS HA A 34 LYS HEy 1.0 0.0 4.65 1006 982 A 34 LYS HA A 34 LYS HEx 1.0 0.0 4.65 1007 983 A 34 LYS HBx A 34 LYS HEy 1.0 0.0 4.49 1008 983 A 34 LYS HBx A 34 LYS HEx 1.0 0.0 4.49 1009 984 A 111 GLY HAx A 34 LYS HEy 1.0 0.0 4.82 1010 984 A 111 GLY HAx A 34 LYS HEx 1.0 0.0 4.82 1011 985 A 35 CYS H A 36 GLU HGy 1.0 0.0 4.65 1012 985 A 35 CYS H A 36 GLU HGx 1.0 0.0 4.65 1013 986 A 35 CYS HA A 36 GLU HGy 1.0 0.0 5.33 1014 986 A 35 CYS HA A 36 GLU HGx 1.0 0.0 5.33 1015 987 A 36 GLU H A 36 GLU HGy 1.0 0.0 3.04 1016 987 A 36 GLU H A 36 GLU HGx 1.0 0.0 3.04 1017 988 A 36 GLU H A 109 LYS HDy 1.0 0.0 5.23 1018 988 A 36 GLU H A 109 LYS HDx 1.0 0.0 5.23 1019 989 A 36 GLU HA A 36 GLU HGy 1.0 0.0 3.04 1020 989 A 36 GLU HA A 36 GLU HGx 1.0 0.0 3.04 1021 990 A 36 GLU HA A 109 LYS HEy 1.0 0.0 4.78 1022 990 A 36 GLU HA A 109 LYS HEx 1.0 0.0 4.78 1023 991 A 36 GLU HBy A 36 GLU HGy 1.0 0.0 2.31 1024 991 A 36 GLU HBy A 36 GLU HGx 1.0 0.0 2.31 1025 992 A 36 GLU HBx A 109 LYS HDy 1.0 0.0 3.78 1026 992 A 36 GLU HBx A 109 LYS HDx 1.0 0.0 3.78 1027 993 A 37 ASP H A 36 GLU HGy 1.0 0.0 4.67 1028 993 A 37 ASP H A 36 GLU HGx 1.0 0.0 4.67 1029 994 A 108 CYS HBy A 36 GLU HGy 1.0 0.0 5.11 1030 994 A 108 CYS HBy A 36 GLU HGx 1.0 0.0 5.11 1031 995 A 108 CYS HBx A 36 GLU HGy 1.0 0.0 4.14 1032 995 A 108 CYS HBx A 36 GLU HGx 1.0 0.0 4.14 1033 996 A 109 LYS H A 36 GLU HGy 1.0 0.0 5.00 1034 996 A 109 LYS H A 36 GLU HGx 1.0 0.0 5.00 1035 997 A 109 LYS HA A 36 GLU HGy 1.0 0.0 3.72 1036 997 A 109 LYS HA A 36 GLU HGx 1.0 0.0 3.72 1037 998 A 109 LYS HGy A 36 GLU HGy 1.0 0.0 4.15 1038 998 A 109 LYS HGy A 36 GLU HGx 1.0 0.0 4.15 1039 999 A 109 LYS HGx A 36 GLU HGy 1.0 0.0 5.00 1040 999 A 109 LYS HGx A 36 GLU HGx 1.0 0.0 5.00 1041 1000 A 36 GLU HGx A 109 LYS HDy 1.0 0.0 4.51 1042 1000 A 36 GLU HGy A 109 LYS HDy 1.0 0.0 4.51 1043 1000 A 109 LYS HDx A 36 GLU HGy 1.0 0.0 4.51 1044 1000 A 36 GLU HGx A 109 LYS HDx 1.0 0.0 4.51 1045 1001 A 36 GLU HGx A 109 LYS HEy 1.0 0.0 3.85 1046 1001 A 36 GLU HGy A 109 LYS HEy 1.0 0.0 3.85 1047 1001 A 109 LYS HEx A 36 GLU HGy 1.0 0.0 3.85 1048 1001 A 36 GLU HGx A 109 LYS HEx 1.0 0.0 3.85 1049 1002 A 37 ASP H A 37 ASP HBx 1.0 0.0 3.54 1050 1002 A 37 ASP H A 37 ASP HBy 1.0 0.0 3.54 1051 1003 A 37 ASP HA A 37 ASP HBx 1.0 0.0 2.58 1052 1003 A 37 ASP HA A 37 ASP HBy 1.0 0.0 2.58 1053 1004 A 38 LEU H A 37 ASP HBx 1.0 0.0 3.25 1054 1004 A 38 LEU H A 37 ASP HBy 1.0 0.0 3.25 1055 1005 A 38 LEU HBy A 37 ASP HBx 1.0 0.0 5.29 1056 1005 A 38 LEU HBy A 37 ASP HBy 1.0 0.0 5.29 1057 1006 A 38 LEU HDy% A 37 ASP HBx 1.0 0.0 5.27 1058 1006 A 38 LEU HDy% A 37 ASP HBy 1.0 0.0 5.27 1059 1007 A 38 LEU HA A 39 ASP HBy 1.0 0.0 4.83 1060 1007 A 38 LEU HA A 39 ASP HBx 1.0 0.0 4.83 1061 1008 A 39 ASP H A 39 ASP HBy 1.0 0.0 3.13 1062 1008 A 39 ASP H A 39 ASP HBx 1.0 0.0 3.13 1063 1009 A 40 ALA H A 39 ASP HBy 1.0 0.0 2.37 1064 1009 A 40 ALA H A 39 ASP HBx 1.0 0.0 2.37 1065 1010 A 40 ALA HB% A 39 ASP HBy 1.0 0.0 3.95 1066 1010 A 40 ALA HB% A 39 ASP HBx 1.0 0.0 3.95 1067 1011 A 41 ALA H A 39 ASP HBy 1.0 0.0 3.05 1068 1011 A 41 ALA H A 39 ASP HBx 1.0 0.0 3.05 1069 1012 A 41 ALA HB% A 39 ASP HBy 1.0 0.0 4.27 1070 1012 A 41 ALA HB% A 39 ASP HBx 1.0 0.0 4.27 1071 1013 A 42 GLY H A 39 ASP HBy 1.0 0.0 4.38 1072 1013 A 42 GLY H A 39 ASP HBx 1.0 0.0 4.38 1073 1014 A 39 ASP HBy A 77 LEU HDx% 1.0 0.0 4.93 1074 1014 A 39 ASP HBx A 77 LEU HDx% 1.0 0.0 4.93 1075 1014 A 77 LEU HDy% A 39 ASP HBy 1.0 0.0 4.93 1076 1014 A 39 ASP HBx A 77 LEU HDy% 1.0 0.0 4.93 1077 1015 A 87 TRP HH2 A 39 ASP HBy 1.0 0.0 5.11 1078 1015 A 87 TRP HH2 A 39 ASP HBx 1.0 0.0 5.11 1079 1016 A 40 ALA H A 77 LEU HDx% 1.0 0.0 4.51 1080 1016 A 40 ALA H A 77 LEU HDy% 1.0 0.0 4.51 1081 1017 A 40 ALA HA A 77 LEU HDx% 1.0 0.0 3.90 1082 1017 A 40 ALA HA A 77 LEU HDy% 1.0 0.0 3.90 1083 1018 A 41 ALA H A 77 LEU HDx% 1.0 0.0 3.37 1084 1018 A 41 ALA H A 77 LEU HDy% 1.0 0.0 3.37 1085 1019 A 41 ALA HA A 77 LEU HDx% 1.0 0.0 2.99 1086 1019 A 41 ALA HA A 77 LEU HDy% 1.0 0.0 2.99 1087 1020 A 41 ALA HB% A 77 LEU HDx% 1.0 0.0 2.53 1088 1020 A 41 ALA HB% A 77 LEU HDy% 1.0 0.0 2.53 1089 1021 A 43 ILE HA A 46 SER HBx 1.0 0.0 4.05 1090 1021 A 43 ILE HA A 46 SER HBy 1.0 0.0 4.05 1091 1022 A 43 ILE HA A 47 VAL HGy% 1.0 0.0 4.82 1092 1022 A 43 ILE HA A 47 VAL HGx% 1.0 0.0 4.82 1093 1023 A 43 ILE HG2% A 46 SER HBx 1.0 0.0 4.15 1094 1023 A 43 ILE HG2% A 46 SER HBy 1.0 0.0 4.15 1095 1024 A 43 ILE HG2% A 47 VAL HGy% 1.0 0.0 3.15 1096 1024 A 43 ILE HG2% A 47 VAL HGx% 1.0 0.0 3.15 1097 1025 A 43 ILE HG2% A 82 GLY HAy 1.0 0.0 5.34 1098 1025 A 43 ILE HG2% A 82 GLY HAx 1.0 0.0 5.34 1099 1026 A 43 ILE HG1x A 46 SER HBx 1.0 0.0 5.34 1100 1026 A 43 ILE HG1x A 46 SER HBy 1.0 0.0 5.34 1101 1027 A 43 ILE HG1x A 47 VAL HGy% 1.0 0.0 5.44 1102 1027 A 43 ILE HG1x A 47 VAL HGx% 1.0 0.0 5.44 1103 1028 A 43 ILE HD1% A 46 SER HBx 1.0 0.0 5.34 1104 1028 A 43 ILE HD1% A 46 SER HBy 1.0 0.0 5.34 1105 1029 A 44 ALA H A 47 VAL HGy% 1.0 0.0 4.09 1106 1029 A 44 ALA H A 47 VAL HGx% 1.0 0.0 4.09 1107 1030 A 44 ALA H A 75 VAL HGy% 1.0 0.0 5.20 1108 1030 A 44 ALA H A 75 VAL HGx% 1.0 0.0 5.20 1109 1031 A 44 ALA HA A 47 VAL HGy% 1.0 0.0 3.02 1110 1031 A 44 ALA HA A 47 VAL HGx% 1.0 0.0 3.02 1111 1032 A 44 ALA HA A 75 VAL HGy% 1.0 0.0 2.91 1112 1032 A 44 ALA HA A 75 VAL HGx% 1.0 0.0 2.91 1113 1033 A 44 ALA HB% A 47 VAL HGy% 1.0 0.0 3.80 1114 1033 A 44 ALA HB% A 47 VAL HGx% 1.0 0.0 3.80 1115 1034 A 44 ALA HB% A 75 VAL HGy% 1.0 0.0 2.59 1116 1034 A 44 ALA HB% A 75 VAL HGx% 1.0 0.0 2.59 1117 1035 A 45 ALA H A 46 SER HBx 1.0 0.0 4.78 1118 1035 A 45 ALA H A 46 SER HBy 1.0 0.0 4.78 1119 1036 A 45 ALA H A 47 VAL HGy% 1.0 0.0 4.39 1120 1036 A 45 ALA H A 47 VAL HGx% 1.0 0.0 4.39 1121 1037 A 45 ALA H A 48 LYS HDx 1.0 0.0 4.83 1122 1037 A 45 ALA H A 48 LYS HDy 1.0 0.0 4.83 1123 1038 A 45 ALA HA A 47 VAL HGy% 1.0 0.0 5.36 1124 1038 A 45 ALA HA A 47 VAL HGx% 1.0 0.0 5.36 1125 1039 A 45 ALA HA A 48 LYS HBx 1.0 0.0 3.53 1126 1039 A 45 ALA HA A 48 LYS HBy 1.0 0.0 3.53 1127 1040 A 45 ALA HA A 48 LYS HGx 1.0 0.0 4.82 1128 1040 A 45 ALA HA A 48 LYS HGy 1.0 0.0 4.82 1129 1041 A 45 ALA HA A 48 LYS HDx 1.0 0.0 3.38 1130 1041 A 45 ALA HA A 48 LYS HDy 1.0 0.0 3.38 1131 1042 A 46 SER H A 46 SER HBx 1.0 0.0 2.97 1132 1042 A 46 SER H A 46 SER HBy 1.0 0.0 2.97 1133 1043 A 46 SER H A 47 VAL HGy% 1.0 0.0 3.92 1134 1043 A 46 SER H A 47 VAL HGx% 1.0 0.0 3.92 1135 1044 A 46 SER HA A 49 ARG HBx 1.0 0.0 3.43 1136 1044 A 46 SER HA A 49 ARG HBy 1.0 0.0 3.43 1137 1045 A 46 SER HA A 49 ARG HDx 1.0 0.0 3.57 1138 1045 A 46 SER HA A 49 ARG HDy 1.0 0.0 3.57 1139 1046 A 47 VAL H A 46 SER HBx 1.0 0.0 3.90 1140 1046 A 47 VAL H A 46 SER HBy 1.0 0.0 3.90 1141 1047 A 47 VAL H A 47 VAL HGy% 1.0 0.0 3.04 1142 1047 A 47 VAL H A 47 VAL HGx% 1.0 0.0 3.04 1143 1048 A 47 VAL HA A 47 VAL HGy% 1.0 0.0 2.72 1144 1048 A 47 VAL HA A 47 VAL HGx% 1.0 0.0 2.72 1145 1049 A 48 LYS H A 47 VAL HGy% 1.0 0.0 3.99 1146 1049 A 48 LYS H A 47 VAL HGx% 1.0 0.0 3.99 1147 1050 A 48 LYS HA A 47 VAL HGy% 1.0 0.0 4.64 1148 1050 A 48 LYS HA A 47 VAL HGx% 1.0 0.0 4.64 1149 1051 A 50 ASP H A 47 VAL HGy% 1.0 0.0 4.67 1150 1051 A 50 ASP H A 47 VAL HGx% 1.0 0.0 4.67 1151 1052 A 51 TYR H A 47 VAL HGy% 1.0 0.0 4.50 1152 1052 A 51 TYR H A 47 VAL HGx% 1.0 0.0 4.50 1153 1053 A 51 TYR HDx A 47 VAL HGy% 1.0 0.0 3.72 1154 1053 A 51 TYR HDx A 47 VAL HGx% 1.0 0.0 3.72 1155 1054 A 87 TRP HBy A 47 VAL HGy% 1.0 0.0 4.82 1156 1054 A 87 TRP HBy A 47 VAL HGx% 1.0 0.0 4.82 1157 1055 A 106 VAL HGy% A 47 VAL HGy% 1.0 0.0 2.74 1158 1055 A 106 VAL HGy% A 47 VAL HGx% 1.0 0.0 2.74 1159 1056 A 48 LYS H A 48 LYS HBx 1.0 0.0 3.48 1160 1056 A 48 LYS H A 48 LYS HBy 1.0 0.0 3.48 1161 1057 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.02 1162 1057 A 48 LYS H A 48 LYS HGy 1.0 0.0 4.02 1163 1058 A 48 LYS H A 48 LYS HDx 1.0 0.0 3.76 1164 1058 A 48 LYS H A 48 LYS HDy 1.0 0.0 3.76 1165 1059 A 48 LYS H A 75 VAL HGy% 1.0 0.0 4.13 1166 1059 A 48 LYS H A 75 VAL HGx% 1.0 0.0 4.13 1167 1060 A 48 LYS HA A 48 LYS HGx 1.0 0.0 3.43 1168 1060 A 48 LYS HA A 48 LYS HGy 1.0 0.0 3.43 1169 1061 A 48 LYS HA A 48 LYS HDx 1.0 0.0 4.78 1170 1061 A 48 LYS HA A 48 LYS HDy 1.0 0.0 4.78 1171 1062 A 48 LYS HBy A 48 LYS HDx 1.0 0.0 2.46 1172 1062 A 48 LYS HBx A 48 LYS HDx 1.0 0.0 2.46 1173 1062 A 48 LYS HDy A 48 LYS HBx 1.0 0.0 2.46 1174 1062 A 48 LYS HDy A 48 LYS HBy 1.0 0.0 2.46 1175 1063 A 48 LYS HEx A 48 LYS HGx 1.0 0.0 3.27 1176 1063 A 48 LYS HEy A 48 LYS HGx 1.0 0.0 3.27 1177 1063 A 48 LYS HGy A 48 LYS HEx 1.0 0.0 3.27 1178 1063 A 48 LYS HGy A 48 LYS HEy 1.0 0.0 3.27 1179 1064 A 49 ARG H A 48 LYS HGx 1.0 0.0 4.64 1180 1064 A 49 ARG H A 48 LYS HGy 1.0 0.0 4.64 1181 1065 A 48 LYS HGy A 75 VAL HGy% 1.0 0.0 4.93 1182 1065 A 48 LYS HGx A 75 VAL HGy% 1.0 0.0 4.93 1183 1065 A 75 VAL HGx% A 48 LYS HGx 1.0 0.0 4.93 1184 1065 A 75 VAL HGx% A 48 LYS HGy 1.0 0.0 4.93 1185 1066 A 49 ARG H A 49 ARG HBx 1.0 0.0 2.83 1186 1066 A 49 ARG H A 49 ARG HBy 1.0 0.0 2.83 1187 1067 A 49 ARG H A 49 ARG HGy 1.0 0.0 4.64 1188 1067 A 49 ARG H A 49 ARG HGx 1.0 0.0 4.64 1189 1068 A 49 ARG H A 49 ARG HDx 1.0 0.0 4.46 1190 1068 A 49 ARG H A 49 ARG HDy 1.0 0.0 4.46 1191 1069 A 49 ARG HA A 49 ARG HBx 1.0 0.0 2.60 1192 1069 A 49 ARG HA A 49 ARG HBy 1.0 0.0 2.60 1193 1070 A 49 ARG HA A 49 ARG HGy 1.0 0.0 3.42 1194 1070 A 49 ARG HA A 49 ARG HGx 1.0 0.0 3.42 1195 1071 A 49 ARG HA A 49 ARG HDx 1.0 0.0 4.56 1196 1071 A 49 ARG HA A 49 ARG HDy 1.0 0.0 4.56 1197 1072 A 49 ARG HBx A 49 ARG HDx 1.0 0.0 2.90 1198 1072 A 49 ARG HBy A 49 ARG HDx 1.0 0.0 2.90 1199 1072 A 49 ARG HDy A 49 ARG HBx 1.0 0.0 2.90 1200 1072 A 49 ARG HBy A 49 ARG HDy 1.0 0.0 2.90 1201 1073 A 50 ASP H A 49 ARG HBx 1.0 0.0 3.26 1202 1073 A 50 ASP H A 49 ARG HBy 1.0 0.0 3.26 1203 1074 A 52 GLN H A 53 GLN HBx 1.0 0.0 4.82 1204 1074 A 52 GLN H A 53 GLN HBy 1.0 0.0 4.82 1205 1075 A 52 GLN HA A 52 GLN HGy 1.0 0.0 3.37 1206 1075 A 52 GLN HA A 52 GLN HGx 1.0 0.0 3.37 1207 1076 A 52 GLN HBx A 53 GLN HBx 1.0 0.0 5.18 1208 1076 A 52 GLN HBy A 53 GLN HBx 1.0 0.0 5.18 1209 1076 A 53 GLN HBy A 52 GLN HBy 1.0 0.0 5.18 1210 1076 A 53 GLN HBy A 52 GLN HBx 1.0 0.0 5.18 1211 1077 A 53 GLN H A 53 GLN HBx 1.0 0.0 3.33 1212 1077 A 53 GLN H A 53 GLN HBy 1.0 0.0 3.33 1213 1078 A 67 GLY H A 66 VAL HGy% 1.0 0.0 3.42 1214 1078 A 67 GLY H A 66 VAL HGx% 1.0 0.0 3.42 1215 1079 A 71 PRO HBx A 93 VAL HGy% 1.0 0.0 2.86 1216 1079 A 71 PRO HBx A 93 VAL HGx% 1.0 0.0 2.86 1217 1080 A 72 VAL H A 71 PRO HGy 1.0 0.0 4.84 1218 1080 A 72 VAL H A 71 PRO HGx 1.0 0.0 4.84 1219 1081 A 72 VAL H A 93 VAL HGy% 1.0 0.0 4.85 1220 1081 A 72 VAL H A 93 VAL HGx% 1.0 0.0 4.85 1221 1082 A 73 ALA H A 72 VAL HGy% 1.0 0.0 4.28 1222 1082 A 73 ALA H A 72 VAL HGx% 1.0 0.0 4.28 1223 1083 A 73 ALA HA A 93 VAL HGy% 1.0 0.0 4.88 1224 1083 A 73 ALA HA A 93 VAL HGx% 1.0 0.0 4.88 1225 1084 A 73 ALA HB% A 93 VAL HGy% 1.0 0.0 4.37 1226 1084 A 73 ALA HB% A 93 VAL HGx% 1.0 0.0 4.37 1227 1085 A 74 TRP H A 74 TRP HBy 1.0 0.0 3.69 1228 1085 A 74 TRP H A 74 TRP HBx 1.0 0.0 3.69 1229 1086 A 74 TRP H A 93 VAL HGy% 1.0 0.0 5.44 1230 1086 A 74 TRP H A 93 VAL HGx% 1.0 0.0 5.44 1231 1087 A 74 TRP HD1 A 74 TRP HBy 1.0 0.0 3.35 1232 1087 A 74 TRP HD1 A 74 TRP HBx 1.0 0.0 3.35 1233 1088 A 74 TRP HE3 A 74 TRP HBy 1.0 0.0 3.51 1234 1088 A 74 TRP HE3 A 74 TRP HBx 1.0 0.0 3.51 1235 1089 A 74 TRP HD1 A 94 ARG HBx 1.0 0.0 5.28 1236 1089 A 74 TRP HD1 A 94 ARG HBy 1.0 0.0 5.28 1237 1090 A 74 TRP HD1 A 94 ARG HGx 1.0 0.0 4.89 1238 1090 A 74 TRP HD1 A 94 ARG HGy 1.0 0.0 4.89 1239 1091 A 75 VAL HA A 75 VAL HGy% 1.0 0.0 3.10 1240 1091 A 75 VAL HA A 75 VAL HGx% 1.0 0.0 3.10 1241 1092 A 76 SER H A 75 VAL HGy% 1.0 0.0 3.86 1242 1092 A 76 SER H A 75 VAL HGx% 1.0 0.0 3.86 1243 1093 A 76 SER HA A 75 VAL HGy% 1.0 0.0 4.58 1244 1093 A 76 SER HA A 75 VAL HGx% 1.0 0.0 4.58 1245 1094 A 76 SER HBx A 75 VAL HGy% 1.0 0.0 4.92 1246 1094 A 76 SER HBx A 75 VAL HGx% 1.0 0.0 4.92 1247 1095 A 77 LEU H A 75 VAL HGy% 1.0 0.0 4.61 1248 1095 A 77 LEU H A 75 VAL HGx% 1.0 0.0 4.61 1249 1096 A 77 LEU HA A 75 VAL HGy% 1.0 0.0 4.08 1250 1096 A 77 LEU HA A 75 VAL HGx% 1.0 0.0 4.08 1251 1097 A 75 VAL HGx% A 79 ASP HBy 1.0 0.0 4.06 1252 1097 A 79 ASP HBx A 75 VAL HGy% 1.0 0.0 4.06 1253 1097 A 75 VAL HGx% A 79 ASP HBx 1.0 0.0 4.06 1254 1097 A 75 VAL HGy% A 79 ASP HBy 1.0 0.0 4.06 1255 1098 A 80 ILE H A 75 VAL HGy% 1.0 0.0 4.46 1256 1098 A 80 ILE H A 75 VAL HGx% 1.0 0.0 4.46 1257 1099 A 80 ILE HA A 75 VAL HGy% 1.0 0.0 4.09 1258 1099 A 80 ILE HA A 75 VAL HGx% 1.0 0.0 4.09 1259 1100 A 80 ILE HB A 75 VAL HGy% 1.0 0.0 5.00 1260 1100 A 80 ILE HB A 75 VAL HGx% 1.0 0.0 5.00 1261 1101 A 80 ILE HG1y A 75 VAL HGy% 1.0 0.0 3.65 1262 1101 A 80 ILE HG1y A 75 VAL HGx% 1.0 0.0 3.65 1263 1102 A 81 GLN H A 75 VAL HGy% 1.0 0.0 5.17 1264 1102 A 81 GLN H A 75 VAL HGx% 1.0 0.0 5.17 1265 1103 A 89 VAL HA A 75 VAL HGy% 1.0 0.0 3.19 1266 1103 A 89 VAL HA A 75 VAL HGx% 1.0 0.0 3.19 1267 1104 A 75 VAL HGy% A 90 PRO HBx 1.0 0.0 4.77 1268 1104 A 75 VAL HGx% A 90 PRO HBx 1.0 0.0 4.77 1269 1104 A 90 PRO HBy A 75 VAL HGy% 1.0 0.0 4.77 1270 1104 A 75 VAL HGx% A 90 PRO HBy 1.0 0.0 4.77 1271 1105 A 90 PRO HGx A 75 VAL HGy% 1.0 0.0 2.91 1272 1105 A 90 PRO HGx A 75 VAL HGx% 1.0 0.0 2.91 1273 1106 A 90 PRO HGy A 75 VAL HGy% 1.0 0.0 4.17 1274 1106 A 90 PRO HGy A 75 VAL HGx% 1.0 0.0 4.17 1275 1107 A 76 SER HBy A 79 ASP HBy 1.0 0.0 3.77 1276 1107 A 76 SER HBy A 79 ASP HBx 1.0 0.0 3.77 1277 1108 A 76 SER HBy A 90 PRO HBx 1.0 0.0 4.15 1278 1108 A 76 SER HBy A 90 PRO HBy 1.0 0.0 4.15 1279 1109 A 76 SER HBx A 79 ASP HBy 1.0 0.0 3.52 1280 1109 A 76 SER HBx A 79 ASP HBx 1.0 0.0 3.52 1281 1110 A 77 LEU H A 77 LEU HDx% 1.0 0.0 4.27 1282 1110 A 77 LEU H A 77 LEU HDy% 1.0 0.0 4.27 1283 1111 A 77 LEU HA A 77 LEU HDx% 1.0 0.0 2.74 1284 1111 A 77 LEU HA A 77 LEU HDy% 1.0 0.0 2.74 1285 1112 A 77 LEU HBy A 77 LEU HDx% 1.0 0.0 3.04 1286 1112 A 77 LEU HBy A 77 LEU HDy% 1.0 0.0 3.04 1287 1113 A 77 LEU HBx A 77 LEU HDx% 1.0 0.0 2.85 1288 1113 A 77 LEU HBx A 77 LEU HDy% 1.0 0.0 2.85 1289 1114 A 78 GLN H A 77 LEU HDx% 1.0 0.0 3.99 1290 1114 A 78 GLN H A 77 LEU HDy% 1.0 0.0 3.99 1291 1115 A 78 GLN HA A 77 LEU HDx% 1.0 0.0 4.91 1292 1115 A 78 GLN HA A 77 LEU HDy% 1.0 0.0 4.91 1293 1116 A 77 LEU HDx% A 78 GLN HGy 1.0 0.0 4.91 1294 1116 A 78 GLN HGx A 77 LEU HDx% 1.0 0.0 4.91 1295 1116 A 77 LEU HDy% A 78 GLN HGx 1.0 0.0 4.91 1296 1116 A 77 LEU HDy% A 78 GLN HGy 1.0 0.0 4.91 1297 1117 A 79 ASP H A 77 LEU HDx% 1.0 0.0 4.56 1298 1117 A 79 ASP H A 77 LEU HDy% 1.0 0.0 4.56 1299 1118 A 80 ILE H A 77 LEU HDx% 1.0 0.0 4.13 1300 1118 A 80 ILE H A 77 LEU HDy% 1.0 0.0 4.13 1301 1119 A 80 ILE HB A 77 LEU HDx% 1.0 0.0 3.37 1302 1119 A 80 ILE HB A 77 LEU HDy% 1.0 0.0 3.37 1303 1120 A 78 GLN H A 78 GLN HGy 1.0 0.0 3.75 1304 1120 A 78 GLN H A 78 GLN HGx 1.0 0.0 3.75 1305 1121 A 78 GLN H A 79 ASP HBy 1.0 0.0 5.27 1306 1121 A 78 GLN H A 79 ASP HBx 1.0 0.0 5.27 1307 1122 A 78 GLN HA A 78 GLN HGy 1.0 0.0 3.14 1308 1122 A 78 GLN HA A 78 GLN HGx 1.0 0.0 3.14 1309 1123 A 78 GLN HE2y A 78 GLN HGy 1.0 0.0 2.91 1310 1123 A 78 GLN HE2y A 78 GLN HGx 1.0 0.0 2.91 1311 1124 A 79 ASP H A 79 ASP HBy 1.0 0.0 2.74 1312 1124 A 79 ASP H A 79 ASP HBx 1.0 0.0 2.74 1313 1125 A 80 ILE H A 79 ASP HBy 1.0 0.0 3.44 1314 1125 A 80 ILE H A 79 ASP HBx 1.0 0.0 3.44 1315 1126 A 80 ILE HB A 79 ASP HBy 1.0 0.0 5.34 1316 1126 A 80 ILE HB A 79 ASP HBx 1.0 0.0 5.34 1317 1127 A 79 ASP HBy A 90 PRO HBx 1.0 0.0 4.61 1318 1127 A 79 ASP HBx A 90 PRO HBx 1.0 0.0 4.61 1319 1127 A 90 PRO HBy A 79 ASP HBy 1.0 0.0 4.61 1320 1127 A 79 ASP HBx A 90 PRO HBy 1.0 0.0 4.61 1321 1128 A 90 PRO HGx A 79 ASP HBy 1.0 0.0 3.52 1322 1128 A 90 PRO HGx A 79 ASP HBx 1.0 0.0 3.52 1323 1129 A 90 PRO HGy A 79 ASP HBy 1.0 0.0 3.52 1324 1129 A 90 PRO HGy A 79 ASP HBx 1.0 0.0 3.52 1325 1130 A 80 ILE HG2% A 82 GLY HAy 1.0 0.0 4.46 1326 1130 A 80 ILE HG2% A 82 GLY HAx 1.0 0.0 4.46 1327 1131 A 81 GLN H A 81 GLN HBy 1.0 0.0 2.86 1328 1131 A 81 GLN H A 81 GLN HBx 1.0 0.0 2.86 1329 1132 A 81 GLN H A 81 GLN HGy 1.0 0.0 3.59 1330 1132 A 81 GLN H A 81 GLN HGx 1.0 0.0 3.59 1331 1133 A 81 GLN H A 82 GLY HAy 1.0 0.0 5.09 1332 1133 A 81 GLN H A 82 GLY HAx 1.0 0.0 5.09 1333 1134 A 81 GLN HA A 81 GLN HGy 1.0 0.0 3.10 1334 1134 A 81 GLN HA A 81 GLN HGx 1.0 0.0 3.10 1335 1135 A 81 GLN HA A 82 GLY HAy 1.0 0.0 4.14 1336 1135 A 81 GLN HA A 82 GLY HAx 1.0 0.0 4.14 1337 1136 A 81 GLN HE2y A 81 GLN HBy 1.0 0.0 3.11 1338 1136 A 81 GLN HE2y A 81 GLN HBx 1.0 0.0 3.11 1339 1137 A 82 GLY H A 81 GLN HBy 1.0 0.0 2.99 1340 1137 A 82 GLY H A 81 GLN HBx 1.0 0.0 2.99 1341 1138 A 81 GLN HBy A 82 GLY HAy 1.0 0.0 4.51 1342 1138 A 81 GLN HBx A 82 GLY HAy 1.0 0.0 4.51 1343 1138 A 82 GLY HAx A 81 GLN HBy 1.0 0.0 4.51 1344 1138 A 82 GLY HAx A 81 GLN HBx 1.0 0.0 4.51 1345 1139 A 88 SER H A 81 GLN HBy 1.0 0.0 3.87 1346 1139 A 88 SER H A 81 GLN HBx 1.0 0.0 3.87 1347 1140 A 88 SER HBy A 81 GLN HBy 1.0 0.0 3.84 1348 1140 A 88 SER HBy A 81 GLN HBx 1.0 0.0 3.84 1349 1141 A 88 SER HBx A 81 GLN HBy 1.0 0.0 3.27 1350 1141 A 88 SER HBx A 81 GLN HBx 1.0 0.0 3.27 1351 1142 A 81 GLN HE2y A 81 GLN HGy 1.0 0.0 2.99 1352 1142 A 81 GLN HE2y A 81 GLN HGx 1.0 0.0 2.99 1353 1143 A 81 GLN HE2x A 81 GLN HGy 1.0 0.0 3.53 1354 1143 A 81 GLN HGx A 81 GLN HE2x 1.0 0.0 3.53 1355 1144 A 82 GLY H A 81 GLN HGy 1.0 0.0 4.56 1356 1144 A 82 GLY H A 81 GLN HGx 1.0 0.0 4.56 1357 1145 A 88 SER HBx A 81 GLN HGy 1.0 0.0 4.64 1358 1145 A 88 SER HBx A 81 GLN HGx 1.0 0.0 4.64 1359 1146 A 82 GLY H A 83 LYS HBx 1.0 0.0 4.88 1360 1146 A 82 GLY H A 83 LYS HBy 1.0 0.0 4.88 1361 1147 A 83 LYS H A 82 GLY HAy 1.0 0.0 2.71 1362 1147 A 83 LYS H A 82 GLY HAx 1.0 0.0 2.71 1363 1148 A 82 GLY HAx A 83 LYS HBx 1.0 0.0 4.90 1364 1148 A 82 GLY HAy A 83 LYS HBx 1.0 0.0 4.90 1365 1148 A 83 LYS HBy A 82 GLY HAy 1.0 0.0 4.90 1366 1148 A 82 GLY HAx A 83 LYS HBy 1.0 0.0 4.90 1367 1149 A 86 LYS H A 82 GLY HAy 1.0 0.0 4.69 1368 1149 A 86 LYS H A 82 GLY HAx 1.0 0.0 4.69 1369 1150 A 86 LYS HBx A 82 GLY HAy 1.0 0.0 5.34 1370 1150 A 86 LYS HBx A 82 GLY HAx 1.0 0.0 5.34 1371 1151 A 86 LYS HBy A 82 GLY HAy 1.0 0.0 5.34 1372 1151 A 86 LYS HBy A 82 GLY HAx 1.0 0.0 5.34 1373 1152 A 87 TRP H A 82 GLY HAy 1.0 0.0 4.87 1374 1152 A 87 TRP H A 82 GLY HAx 1.0 0.0 4.87 1375 1153 A 87 TRP HA A 82 GLY HAy 1.0 0.0 2.96 1376 1153 A 87 TRP HA A 82 GLY HAx 1.0 0.0 2.96 1377 1154 A 87 TRP HE3 A 82 GLY HAy 1.0 0.0 3.62 1378 1154 A 87 TRP HE3 A 82 GLY HAx 1.0 0.0 3.62 1379 1155 A 87 TRP HZ3 A 82 GLY HAy 1.0 0.0 4.44 1380 1155 A 87 TRP HZ3 A 82 GLY HAx 1.0 0.0 4.44 1381 1156 A 88 SER H A 82 GLY HAy 1.0 0.0 4.03 1382 1156 A 88 SER H A 82 GLY HAx 1.0 0.0 4.03 1383 1157 A 83 LYS H A 83 LYS HBx 1.0 0.0 3.25 1384 1157 A 83 LYS H A 83 LYS HBy 1.0 0.0 3.25 1385 1158 A 83 LYS H A 83 LYS HGy 1.0 0.0 4.68 1386 1158 A 83 LYS H A 83 LYS HGx 1.0 0.0 4.68 1387 1159 A 83 LYS HA A 83 LYS HDy 1.0 0.0 4.63 1388 1159 A 83 LYS HA A 83 LYS HDx 1.0 0.0 4.63 1389 1160 A 83 LYS HBx A 83 LYS HEy 1.0 0.0 4.34 1390 1160 A 83 LYS HBy A 83 LYS HEy 1.0 0.0 4.34 1391 1160 A 83 LYS HEx A 83 LYS HBx 1.0 0.0 4.34 1392 1160 A 83 LYS HBy A 83 LYS HEx 1.0 0.0 4.34 1393 1161 A 84 ASP H A 83 LYS HBx 1.0 0.0 3.55 1394 1161 A 84 ASP H A 83 LYS HBy 1.0 0.0 3.55 1395 1162 A 84 ASP HA A 83 LYS HBx 1.0 0.0 5.34 1396 1162 A 84 ASP HA A 83 LYS HBy 1.0 0.0 5.34 1397 1163 A 84 ASP HBy A 83 LYS HBx 1.0 0.0 4.42 1398 1163 A 84 ASP HBy A 83 LYS HBy 1.0 0.0 4.42 1399 1164 A 84 ASP HBx A 83 LYS HBx 1.0 0.0 5.05 1400 1164 A 84 ASP HBx A 83 LYS HBy 1.0 0.0 5.05 1401 1165 A 84 ASP H A 83 LYS HGy 1.0 0.0 3.20 1402 1165 A 84 ASP H A 83 LYS HGx 1.0 0.0 3.20 1403 1166 A 84 ASP HA A 83 LYS HGy 1.0 0.0 4.35 1404 1166 A 84 ASP HA A 83 LYS HGx 1.0 0.0 4.35 1405 1167 A 84 ASP HBy A 83 LYS HGy 1.0 0.0 4.02 1406 1167 A 84 ASP HBy A 83 LYS HGx 1.0 0.0 4.02 1407 1168 A 84 ASP HBx A 83 LYS HGy 1.0 0.0 4.05 1408 1168 A 84 ASP HBx A 83 LYS HGx 1.0 0.0 4.05 1409 1169 A 85 ASP H A 83 LYS HGy 1.0 0.0 4.65 1410 1169 A 85 ASP H A 83 LYS HGx 1.0 0.0 4.65 1411 1170 A 86 LYS HGx A 86 LYS HEy 1.0 0.0 3.66 1412 1170 A 86 LYS HGx A 86 LYS HEx 1.0 0.0 3.66 1413 1171 A 89 VAL H A 89 VAL HGx% 1.0 0.0 2.99 1414 1171 A 89 VAL H A 89 VAL HGy% 1.0 0.0 2.99 1415 1172 A 89 VAL HA A 90 PRO HBx 1.0 0.0 4.92 1416 1172 A 89 VAL HA A 90 PRO HBy 1.0 0.0 4.92 1417 1173 A 89 VAL HGx% A 90 PRO HBx 1.0 0.0 5.28 1418 1173 A 89 VAL HGy% A 90 PRO HBx 1.0 0.0 5.28 1419 1173 A 90 PRO HBy A 89 VAL HGx% 1.0 0.0 5.28 1420 1173 A 90 PRO HBy A 89 VAL HGy% 1.0 0.0 5.28 1421 1174 A 104 VAL HB A 89 VAL HGx% 1.0 0.0 3.51 1422 1174 A 104 VAL HB A 89 VAL HGy% 1.0 0.0 3.51 1423 1175 A 104 VAL HGx% A 89 VAL HGx% 1.0 0.0 3.56 1424 1175 A 104 VAL HGx% A 89 VAL HGy% 1.0 0.0 3.56 1425 1176 A 104 VAL HGy% A 89 VAL HGx% 1.0 0.0 3.20 1426 1176 A 104 VAL HGy% A 89 VAL HGy% 1.0 0.0 3.20 1427 1177 A 105 SER H A 89 VAL HGx% 1.0 0.0 5.23 1428 1177 A 105 SER H A 89 VAL HGy% 1.0 0.0 5.23 1429 1178 A 105 SER HA A 89 VAL HGx% 1.0 0.0 5.44 1430 1178 A 105 SER HA A 89 VAL HGy% 1.0 0.0 5.44 1431 1179 A 106 VAL H A 89 VAL HGx% 1.0 0.0 5.44 1432 1179 A 106 VAL H A 89 VAL HGy% 1.0 0.0 5.44 1433 1180 A 91 LEU H A 100 ILE HG1y 1.0 0.0 5.34 1434 1180 A 91 LEU H A 100 ILE HG1x 1.0 0.0 5.34 1435 1181 A 91 LEU HA A 100 ILE HG1y 1.0 0.0 4.22 1436 1181 A 91 LEU HA A 100 ILE HG1x 1.0 0.0 4.22 1437 1182 A 92 THR H A 93 VAL HGy% 1.0 0.0 4.56 1438 1182 A 92 THR H A 93 VAL HGx% 1.0 0.0 4.56 1439 1183 A 92 THR H A 100 ILE HG1y 1.0 0.0 5.02 1440 1183 A 92 THR H A 100 ILE HG1x 1.0 0.0 5.02 1441 1184 A 92 THR HA A 100 ILE HG1y 1.0 0.0 5.34 1442 1184 A 92 THR HA A 100 ILE HG1x 1.0 0.0 5.34 1443 1185 A 93 VAL HA A 94 ARG HBx 1.0 0.0 4.61 1444 1185 A 93 VAL HA A 94 ARG HBy 1.0 0.0 4.61 1445 1186 A 93 VAL HB A 100 ILE HG1y 1.0 0.0 4.21 1446 1186 A 93 VAL HB A 100 ILE HG1x 1.0 0.0 4.21 1447 1187 A 94 ARG H A 93 VAL HGy% 1.0 0.0 3.52 1448 1187 A 94 ARG H A 93 VAL HGx% 1.0 0.0 3.52 1449 1188 A 95 GLY H A 93 VAL HGy% 1.0 0.0 4.55 1450 1188 A 95 GLY H A 93 VAL HGx% 1.0 0.0 4.55 1451 1189 A 93 VAL HGx% A 100 ILE HG1y 1.0 0.0 3.62 1452 1189 A 93 VAL HGy% A 100 ILE HG1y 1.0 0.0 3.62 1453 1189 A 100 ILE HG1x A 93 VAL HGy% 1.0 0.0 3.62 1454 1189 A 93 VAL HGx% A 100 ILE HG1x 1.0 0.0 3.62 1455 1190 A 94 ARG H A 94 ARG HBx 1.0 0.0 3.52 1456 1190 A 94 ARG H A 94 ARG HBy 1.0 0.0 3.52 1457 1191 A 94 ARG H A 94 ARG HGx 1.0 0.0 3.32 1458 1191 A 94 ARG H A 94 ARG HGy 1.0 0.0 3.32 1459 1192 A 95 GLY H A 94 ARG HBx 1.0 0.0 4.29 1460 1192 A 95 GLY H A 94 ARG HBy 1.0 0.0 4.29 1461 1193 A 95 GLY HAy A 96 LYS HBx 1.0 0.0 4.67 1462 1193 A 95 GLY HAy A 96 LYS HBy 1.0 0.0 4.67 1463 1194 A 95 GLY HAx A 96 LYS HBx 1.0 0.0 4.98 1464 1194 A 95 GLY HAx A 96 LYS HBy 1.0 0.0 4.98 1465 1195 A 96 LYS H A 96 LYS HBx 1.0 0.0 3.12 1466 1195 A 96 LYS H A 96 LYS HBy 1.0 0.0 3.12 1467 1196 A 96 LYS H A 96 LYS HGy 1.0 0.0 4.54 1468 1196 A 96 LYS H A 96 LYS HGx 1.0 0.0 4.54 1469 1197 A 96 LYS HA A 96 LYS HGy 1.0 0.0 3.60 1470 1197 A 96 LYS HA A 96 LYS HGx 1.0 0.0 3.60 1471 1198 A 97 SER H A 96 LYS HBx 1.0 0.0 3.57 1472 1198 A 97 SER H A 96 LYS HBy 1.0 0.0 3.57 1473 1199 A 98 ALA H A 97 SER HBx 1.0 0.0 4.03 1474 1199 A 98 ALA H A 97 SER HBy 1.0 0.0 4.03 1475 1200 A 98 ALA HA A 97 SER HBx 1.0 0.0 4.43 1476 1200 A 98 ALA HA A 97 SER HBy 1.0 0.0 4.43 1477 1201 A 100 ILE H A 99 ASP HBx 1.0 0.0 3.96 1478 1201 A 100 ILE H A 99 ASP HBy 1.0 0.0 3.96 1479 1202 A 100 ILE H A 100 ILE HG1y 1.0 0.0 3.98 1480 1202 A 100 ILE H A 100 ILE HG1x 1.0 0.0 3.98 1481 1203 A 104 VAL HA A 105 SER HBy 1.0 0.0 4.29 1482 1203 A 104 VAL HA A 105 SER HBx 1.0 0.0 4.29 1483 1204 A 104 VAL HGx% A 105 SER HBy 1.0 0.0 4.24 1484 1204 A 104 VAL HGx% A 105 SER HBx 1.0 0.0 4.24 1485 1205 A 105 SER H A 105 SER HBy 1.0 0.0 3.19 1486 1205 A 105 SER H A 105 SER HBx 1.0 0.0 3.19 1487 1206 A 105 SER H A 114 GLU HBy 1.0 0.0 4.78 1488 1206 A 105 SER H A 114 GLU HBx 1.0 0.0 4.78 1489 1207 A 106 VAL H A 105 SER HBy 1.0 0.0 4.11 1490 1207 A 106 VAL H A 105 SER HBx 1.0 0.0 4.11 1491 1208 A 114 GLU H A 105 SER HBy 1.0 0.0 3.98 1492 1208 A 114 GLU H A 105 SER HBx 1.0 0.0 3.98 1493 1209 A 108 CYS HBy A 109 LYS HDy 1.0 0.0 4.94 1494 1209 A 108 CYS HBy A 109 LYS HDx 1.0 0.0 4.94 1495 1210 A 109 LYS H A 109 LYS HDy 1.0 0.0 4.15 1496 1210 A 109 LYS H A 109 LYS HDx 1.0 0.0 4.15 1497 1211 A 109 LYS H A 109 LYS HEy 1.0 0.0 5.34 1498 1211 A 109 LYS H A 109 LYS HEx 1.0 0.0 5.34 1499 1212 A 109 LYS HA A 109 LYS HDy 1.0 0.0 3.29 1500 1212 A 109 LYS HA A 109 LYS HDx 1.0 0.0 3.29 1501 1213 A 109 LYS HBy A 109 LYS HDy 1.0 0.0 2.70 1502 1213 A 109 LYS HBy A 109 LYS HDx 1.0 0.0 2.70 1503 1214 A 109 LYS HDy A 109 LYS HEy 1.0 0.0 2.18 1504 1214 A 109 LYS HEx A 109 LYS HDy 1.0 0.0 2.18 1505 1214 A 109 LYS HDx A 109 LYS HEx 1.0 0.0 2.18 1506 1214 A 109 LYS HDx A 109 LYS HEy 1.0 0.0 2.18 1507 1215 A 113 ALA HA A 114 GLU HBy 1.0 0.0 4.43 1508 1215 A 113 ALA HA A 114 GLU HBx 1.0 0.0 4.43 1509 1216 A 114 GLU H A 114 GLU HBy 1.0 0.0 3.54 1510 1216 A 114 GLU H A 114 GLU HBx 1.0 0.0 3.54 1511 1217 A 114 GLU H A 114 GLU HGx 1.0 0.0 5.25 1512 1217 A 114 GLU H A 114 GLU HGy 1.0 0.0 5.25 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 43 ILE H A 39 ASP O 1.0 1.8 2.2 2 2 A 39 ASP O A 43 ILE N 1.0 2.7 3.2 3 3 A 44 ALA H A 40 ALA O 1.0 1.8 2.2 4 4 A 40 ALA O A 44 ALA N 1.0 2.7 3.2 5 5 A 46 SER H A 42 GLY O 1.0 1.8 2.2 6 6 A 42 GLY O A 46 SER N 1.0 2.7 3.2 7 7 A 47 VAL H A 43 ILE O 1.0 1.8 2.2 8 8 A 43 ILE O A 47 VAL N 1.0 2.7 3.2 9 9 A 48 LYS H A 44 ALA O 1.0 1.8 2.2 10 10 A 44 ALA O A 48 LYS N 1.0 2.7 3.2 11 11 A 49 ARG H A 45 ALA O 1.0 1.8 2.2 12 12 A 45 ALA O A 49 ARG N 1.0 2.7 3.2 13 13 A 50 ASP H A 46 SER O 1.0 1.8 2.2 14 14 A 46 SER O A 50 ASP N 1.0 2.7 3.2 15 15 A 52 GLN H A 48 LYS O 1.0 1.8 2.2 16 16 A 48 LYS O A 52 GLN N 1.0 2.7 3.2 17 17 A 53 GLN H A 49 ARG O 1.0 1.8 2.2 18 18 A 49 ARG O A 53 GLN N 1.0 2.7 3.2 19 19 A 51 TYR O A 54 ASN H 1.0 1.8 2.2 20 20 A 51 TYR O A 54 ASN N 1.0 2.7 3.2 21 21 A 74 TRP H A 92 THR O 1.0 1.8 2.2 22 22 A 92 THR O A 74 TRP N 1.0 2.7 3.2 23 23 A 79 ASP H A 76 SER O 1.0 1.8 2.2 24 24 A 76 SER O A 79 ASP N 1.0 2.7 3.2 25 25 A 80 ILE H A 77 LEU O 1.0 1.8 2.2 26 26 A 77 LEU O A 80 ILE N 1.0 2.7 3.2 27 27 A 86 LYS H A 83 LYS O 1.0 1.8 2.2 28 28 A 83 LYS O A 86 LYS N 1.0 2.7 3.2 29 29 A 87 TRP H A 106 VAL O 1.0 1.8 2.2 30 30 A 106 VAL O A 87 TRP N 1.0 2.7 3.2 31 31 A 88 SER H A 81 GLN O 1.0 1.8 2.2 32 32 A 81 GLN O A 88 SER N 1.0 2.7 3.2 33 33 A 105 SER H A 114 GLU O 1.0 1.8 2.2 34 34 A 114 GLU O A 105 SER N 1.0 2.7 3.2 35 35 A 106 VAL H A 87 TRP O 1.0 1.8 2.2 36 36 A 87 TRP O A 106 VAL N 1.0 2.7 3.2 37 37 A 107 ASP H A 112 MET O 1.0 1.8 2.2 38 38 A 112 MET O A 107 ASP N 1.0 2.7 3.2 39 39 A 108 CYS H A 85 ASP O 1.0 1.8 2.2 40 40 A 85 ASP O A 108 CYS N 1.0 2.7 3.2 41 41 A 112 MET H A 107 ASP O 1.0 1.8 2.2 42 42 A 107 ASP O A 112 MET N 1.0 2.7 3.2 43 43 A 114 GLU H A 105 SER O 1.0 1.8 2.2 44 44 A 105 SER O A 114 GLU N 1.0 2.7 3.2 stop_ save_