data_nef_c17388_2l80 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 59 HIS NE2 2 1 ZN ZN 1 46 CYS SG 2 1 ZN ZN 1 26 CYS SG 2 1 ZN ZN 1 29 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 SER middle . . 3 A 1 VAL middle . . 4 A 2 SER middle . . 5 A 3 LYS middle . . 6 A 4 TYR middle . . 7 A 5 ALA middle . . 8 A 6 ASN middle . . 9 A 7 ASN middle . . 10 A 8 LEU middle . . 11 A 9 THR middle . . 12 A 10 GLN middle . . 13 A 11 LEU middle . . 14 A 12 ASP middle . . 15 A 13 ASN middle . . 16 A 14 GLY middle . false 17 A 15 VAL middle . . 18 A 16 ARG middle . . 19 A 17 ILE middle . . 20 A 18 PRO middle . false 21 A 19 PRO middle . false 22 A 20 SER middle . . 23 A 21 GLY middle . false 24 A 22 TRP middle . . 25 A 23 LYS middle . . 26 A 24 CYS middle -HG . 27 A 25 ALA middle . . 28 A 26 ARG middle . . 29 A 27 CYS middle -HG . 30 A 28 ASP middle . . 31 A 29 LEU middle . . 32 A 30 ARG middle . . 33 A 31 GLU middle . . 34 A 32 ASN middle . . 35 A 33 LEU middle . . 36 A 34 TRP middle . . 37 A 35 LEU middle . . 38 A 36 ASN middle . . 39 A 37 LEU middle . . 40 A 38 THR middle . . 41 A 39 ASP middle . . 42 A 40 GLY middle . false 43 A 41 SER middle . . 44 A 42 VAL middle . . 45 A 43 LEU middle . . 46 A 44 CYS middle -HG . 47 A 45 GLY middle . false 48 A 46 LYS middle . . 49 A 47 TRP middle . . 50 A 48 PHE middle . . 51 A 49 PHE middle . . 52 A 50 ASP middle . . 53 A 51 SER middle . . 54 A 52 SER middle . . 55 A 53 GLY middle . false 56 A 54 GLY middle . false 57 A 55 ASN middle . . 58 A 56 GLY middle . false 59 A 57 HIS middle -HE2 . 60 A 58 ALA middle . . 61 A 59 LEU middle . . 62 A 60 GLU middle . . 63 A 61 HIS middle . . 64 A 62 TYR middle . . 65 A 63 ARG middle . . 66 A 64 ASP middle . . 67 A 65 MET middle . . 68 A 66 GLY middle . false 69 A 67 TYR middle . . 70 A 68 PRO middle . false 71 A 69 LEU middle . . 72 A 70 ALA middle . . 73 A 71 VAL middle . . 74 A 72 LYS middle . . 75 A 73 LEU middle . . 76 A 74 GLY middle . false 77 A 75 THR middle . . 78 A 76 ILE middle . . 79 A 77 THR middle . . 80 A 78 PRO middle . false 81 A 79 ASP middle . . 82 A 80 GLY middle . false 83 A 81 ALA middle . . 84 A 82 ASP middle . . 85 A 83 VAL middle . . 86 A 84 TYR middle . . 87 A 85 SER middle . . 88 A 86 PHE middle . . 89 A 87 GLN middle . . 90 A 88 GLU middle . . 91 A 89 GLU middle . . 92 A 90 GLU middle . . 93 A 91 PRO middle . false 94 A 92 VAL middle . . 95 A 93 LEU middle . . 96 A 94 ASP middle . . 97 A 95 PRO middle . false 98 A 96 HIS middle . . 99 A 97 LEU middle . . 100 A 98 ALA middle . . 101 A 99 LYS middle . . 102 A 100 HIS middle . . 103 A 101 LEU middle . . 104 A 102 ALA middle . . 105 A 103 HIS middle . . 106 A 104 PHE middle . . 107 A 105 GLY middle . false 108 A 106 ILE middle . . 109 A 107 ASP middle . . 110 A 108 MET middle . . 111 A 109 LEU middle . . 112 A 110 HIS middle . . 113 A 111 MET middle . . 114 A 112 HIS middle . . 115 A 113 GLY middle . false 116 A 114 THR end . . 117 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 VAL H H 1 8.554 0.005 A 1 VAL HA H 1 4.171 0.011 A 1 VAL HB H 1 1.995 0.007 A 1 VAL HGx% H 1 1.028 0.007 A 1 VAL HGy% H 1 0.949 0.008 A 1 VAL C C 13 173.972 0.000 A 1 VAL CA C 13 62.923 0.133 A 1 VAL CB C 13 32.225 0.062 A 1 VAL CGy C 13 21.913 0.168 A 1 VAL CGx C 13 21.067 0.055 A 1 VAL N N 15 123.617 0.060 A 2 SER H H 1 8.140 0.004 A 2 SER HA H 1 4.687 0.006 A 2 SER HBy H 1 3.914 0.009 A 2 SER HBx H 1 3.802 0.005 A 2 SER C C 13 174.021 0.000 A 2 SER CA C 13 57.716 0.125 A 2 SER CB C 13 64.070 0.273 A 2 SER N N 15 120.671 0.038 A 3 LYS H H 1 9.644 0.014 A 3 LYS HA H 1 4.172 0.010 A 3 LYS HB2 H 1 1.506 0.005 A 3 LYS HB3 H 1 1.506 0.005 A 3 LYS HD2 H 1 1.583 0.010 A 3 LYS HD3 H 1 1.583 0.010 A 3 LYS HE2 H 1 2.921 0.003 A 3 LYS HE3 H 1 2.921 0.003 A 3 LYS HGy H 1 1.223 0.007 A 3 LYS HGx H 1 1.050 0.009 A 3 LYS C C 13 173.824 0.000 A 3 LYS CA C 13 58.038 0.102 A 3 LYS CB C 13 32.063 0.039 A 3 LYS CD C 13 29.065 0.060 A 3 LYS CE C 13 41.855 0.083 A 3 LYS CG C 13 24.533 0.116 A 3 LYS N N 15 130.221 0.085 A 4 TYR H H 1 8.475 0.005 A 4 TYR HA H 1 4.551 0.009 A 4 TYR HBy H 1 3.293 0.008 A 4 TYR HBx H 1 2.483 0.011 A 4 TYR HD1 H 1 7.152 0.007 A 4 TYR HD2 H 1 7.152 0.007 A 4 TYR C C 13 172.816 0.000 A 4 TYR CA C 13 58.460 0.091 A 4 TYR CB C 13 38.825 0.088 A 4 TYR N N 15 118.214 0.041 A 5 ALA H H 1 7.416 0.011 A 5 ALA HA H 1 4.091 0.008 A 5 ALA HB% H 1 1.685 0.008 A 5 ALA C C 13 174.914 0.000 A 5 ALA CA C 13 54.629 0.126 A 5 ALA CB C 13 19.815 0.098 A 5 ALA N N 15 119.764 0.042 A 6 ASN H H 1 8.128 0.009 A 6 ASN HA H 1 4.610 0.007 A 6 ASN HB2 H 1 2.791 0.007 A 6 ASN HB3 H 1 2.791 0.007 A 6 ASN C C 13 172.512 0.000 A 6 ASN CA C 13 54.790 0.105 A 6 ASN CB C 13 38.564 0.072 A 6 ASN N N 15 114.384 0.042 A 7 ASN H H 1 8.154 0.007 A 7 ASN HA H 1 4.800 0.005 A 7 ASN HBy H 1 2.847 0.005 A 7 ASN HBx H 1 2.716 0.005 A 7 ASN C C 13 171.141 0.000 A 7 ASN CA C 13 52.278 0.084 A 7 ASN CB C 13 38.180 0.080 A 7 ASN N N 15 117.680 0.046 A 8 LEU H H 1 7.397 0.014 A 8 LEU HA H 1 4.212 0.007 A 8 LEU HBy H 1 1.523 0.011 A 8 LEU HBx H 1 1.350 0.009 A 8 LEU HDx% H 1 0.089 0.007 A 8 LEU HDy% H 1 0.847 0.006 A 8 LEU HG H 1 1.155 0.010 A 8 LEU C C 13 173.989 0.000 A 8 LEU CA C 13 55.739 0.151 A 8 LEU CB C 13 43.299 0.059 A 8 LEU CDy C 13 25.431 0.057 A 8 LEU CDx C 13 22.988 0.103 A 8 LEU CG C 13 26.048 0.259 A 8 LEU N N 15 123.010 0.019 A 9 THR H H 1 8.588 0.009 A 9 THR HA H 1 4.215 0.009 A 9 THR HB H 1 3.988 0.009 A 9 THR HG2% H 1 1.096 0.008 A 9 THR C C 13 170.391 0.000 A 9 THR CA C 13 62.787 0.059 A 9 THR CB C 13 69.189 0.245 A 9 THR CG2 C 13 21.404 0.049 A 9 THR N N 15 125.227 0.084 A 10 GLN H H 1 8.573 0.009 A 10 GLN HA H 1 4.858 0.015 A 10 GLN HBy H 1 1.159 0.008 A 10 GLN HBx H 1 0.921 0.008 A 10 GLN HGy H 1 2.252 0.009 A 10 GLN HGx H 1 1.673 0.009 A 10 GLN C C 13 172.427 0.000 A 10 GLN CA C 13 55.089 0.179 A 10 GLN CB C 13 31.538 0.075 A 10 GLN CG C 13 35.049 0.127 A 10 GLN N N 15 124.446 0.118 A 11 LEU H H 1 8.667 0.005 A 11 LEU HA H 1 4.255 0.009 A 11 LEU HBy H 1 1.899 0.009 A 11 LEU HBx H 1 1.501 0.008 A 11 LEU HD1% H 1 0.783 0.006 A 11 LEU HD2% H 1 0.783 0.006 A 11 LEU HG H 1 0.996 0.010 A 11 LEU C C 13 175.009 0.000 A 11 LEU CA C 13 54.932 0.085 A 11 LEU CB C 13 41.737 0.102 A 11 LEU CD1 C 13 21.271 0.106 A 11 LEU CD2 C 13 21.271 0.106 A 11 LEU CG C 13 25.641 0.097 A 11 LEU N N 15 121.966 0.046 A 12 ASP H H 1 9.088 0.010 A 12 ASP HA H 1 5.247 0.009 A 12 ASP HBy H 1 2.859 0.013 A 12 ASP HBx H 1 2.644 0.003 A 12 ASP C C 13 172.747 0.000 A 12 ASP CA C 13 53.002 0.086 A 12 ASP CB C 13 39.070 0.112 A 12 ASP N N 15 127.116 0.089 A 13 ASN H H 1 7.941 0.009 A 13 ASN HA H 1 4.814 0.003 A 13 ASN HBy H 1 3.351 0.011 A 13 ASN HBx H 1 2.760 0.013 A 13 ASN C C 13 174.433 0.000 A 13 ASN CA C 13 51.778 0.149 A 13 ASN CB C 13 38.979 0.072 A 13 ASN N N 15 118.354 0.071 A 14 GLY H H 1 9.347 0.004 A 14 GLY HAy H 1 4.092 0.011 A 14 GLY HAx H 1 3.753 0.005 A 14 GLY C C 13 171.544 0.000 A 14 GLY CA C 13 45.840 0.096 A 14 GLY N N 15 110.290 0.027 A 15 VAL H H 1 7.593 0.010 A 15 VAL HA H 1 3.824 0.007 A 15 VAL HB H 1 2.249 0.005 A 15 VAL HGx% H 1 1.016 0.006 A 15 VAL HGy% H 1 0.992 0.006 A 15 VAL C C 13 173.070 0.000 A 15 VAL CA C 13 64.856 0.099 A 15 VAL CB C 13 31.894 0.113 A 15 VAL CGy C 13 22.752 0.069 A 15 VAL CGx C 13 21.561 0.105 A 15 VAL N N 15 121.672 0.091 A 16 ARG H H 1 8.393 0.007 A 16 ARG HA H 1 4.845 0.009 A 16 ARG HBy H 1 1.846 0.005 A 16 ARG HBx H 1 1.735 0.007 A 16 ARG HD2 H 1 3.171 0.007 A 16 ARG HD3 H 1 3.171 0.007 A 16 ARG HGy H 1 1.679 0.009 A 16 ARG HGx H 1 1.562 0.005 A 16 ARG C C 13 172.605 0.000 A 16 ARG CA C 13 53.596 0.106 A 16 ARG CB C 13 32.182 0.071 A 16 ARG CD C 13 43.046 0.111 A 16 ARG CG C 13 26.999 0.132 A 16 ARG N N 15 127.113 0.021 A 17 ILE H H 1 8.503 0.005 A 17 ILE HA H 1 4.830 0.008 A 17 ILE HB H 1 2.048 0.006 A 17 ILE HD1% H 1 0.714 0.009 A 17 ILE HG1y H 1 1.706 0.005 A 17 ILE HG1x H 1 1.200 0.006 A 17 ILE HG2% H 1 1.073 0.006 A 17 ILE CA C 13 55.502 0.137 A 17 ILE CB C 13 37.386 0.070 A 17 ILE CD1 C 13 9.465 0.023 A 17 ILE CG1 C 13 26.889 0.162 A 17 ILE CG2 C 13 16.033 0.028 A 17 ILE N N 15 126.200 0.025 A 18 PRO HA H 1 4.974 0.005 A 18 PRO HBy H 1 2.538 0.005 A 18 PRO HBx H 1 2.313 0.008 A 18 PRO HDy H 1 4.117 0.009 A 18 PRO HDx H 1 4.062 0.007 A 18 PRO HGy H 1 2.263 0.006 A 18 PRO HGx H 1 2.119 0.008 A 18 PRO CA C 13 62.021 0.028 A 18 PRO CB C 13 31.811 0.085 A 18 PRO CD C 13 51.215 0.091 A 18 PRO CG C 13 26.797 0.058 A 19 PRO HA H 1 4.685 0.005 A 19 PRO HBy H 1 2.406 0.009 A 19 PRO HBx H 1 2.068 0.008 A 19 PRO HD2 H 1 3.849 0.007 A 19 PRO HD3 H 1 3.849 0.007 A 19 PRO HGy H 1 2.119 0.005 A 19 PRO HGx H 1 2.021 0.003 A 19 PRO C C 13 172.102 0.000 A 19 PRO CA C 13 64.324 0.128 A 19 PRO CB C 13 32.050 0.137 A 19 PRO CD C 13 50.378 0.121 A 19 PRO CG C 13 27.149 0.178 A 20 SER H H 1 7.030 0.005 A 20 SER HA H 1 3.050 0.009 A 20 SER HBy H 1 3.601 0.013 A 20 SER HBx H 1 3.498 0.012 A 20 SER C C 13 170.083 0.000 A 20 SER CA C 13 56.326 0.087 A 20 SER CB C 13 63.967 0.074 A 20 SER N N 15 107.828 0.040 A 21 GLY H H 1 8.108 0.005 A 21 GLY HAy H 1 3.751 0.005 A 21 GLY HAx H 1 3.579 0.011 A 21 GLY C C 13 171.326 0.000 A 21 GLY CA C 13 46.021 0.121 A 21 GLY N N 15 105.967 0.020 A 22 TRP H H 1 6.433 0.005 A 22 TRP HA H 1 4.493 0.006 A 22 TRP HBy H 1 3.116 0.007 A 22 TRP HBx H 1 2.994 0.008 A 22 TRP HD1 H 1 7.601 0.008 A 22 TRP C C 13 171.531 0.000 A 22 TRP CA C 13 56.535 0.106 A 22 TRP CB C 13 28.998 0.063 A 22 TRP N N 15 118.478 0.024 A 23 LYS H H 1 8.356 0.005 A 23 LYS HA H 1 4.798 0.009 A 23 LYS HB2 H 1 1.626 0.009 A 23 LYS HB3 H 1 1.626 0.009 A 23 LYS HD2 H 1 1.783 0.007 A 23 LYS HD3 H 1 1.783 0.007 A 23 LYS HE2 H 1 3.062 0.007 A 23 LYS HE3 H 1 3.062 0.007 A 23 LYS HGy H 1 1.876 0.009 A 23 LYS HGx H 1 1.274 0.014 A 23 LYS C C 13 170.601 0.000 A 23 LYS CA C 13 55.035 0.076 A 23 LYS CB C 13 35.936 0.083 A 23 LYS CD C 13 28.851 0.127 A 23 LYS CE C 13 40.999 0.110 A 23 LYS CG C 13 21.984 0.038 A 23 LYS N N 15 120.044 0.029 A 24 CYS H H 1 8.506 0.007 A 24 CYS HA H 1 4.288 0.007 A 24 CYS HBy H 1 3.483 0.006 A 24 CYS HBx H 1 2.885 0.009 A 24 CYS C C 13 172.907 0.000 A 24 CYS CA C 13 60.390 0.126 A 24 CYS CB C 13 30.218 0.037 A 24 CYS N N 15 125.606 0.096 A 25 ALA H H 1 9.030 0.011 A 25 ALA HA H 1 4.294 0.003 A 25 ALA HB% H 1 1.599 0.005 A 25 ALA C C 13 176.466 0.000 A 25 ALA CA C 13 54.894 0.052 A 25 ALA CB C 13 18.795 0.084 A 25 ALA N N 15 129.796 0.031 A 26 ARG H H 1 9.364 0.008 A 26 ARG HA H 1 4.371 0.007 A 26 ARG HBy H 1 1.218 0.009 A 26 ARG HBx H 1 0.708 0.013 A 26 ARG HD2 H 1 3.026 0.007 A 26 ARG HD3 H 1 3.026 0.007 A 26 ARG HGy H 1 1.424 0.013 A 26 ARG HGx H 1 1.319 0.007 A 26 ARG C C 13 172.384 0.000 A 26 ARG CA C 13 55.447 0.104 A 26 ARG CB C 13 31.412 0.075 A 26 ARG CD C 13 42.699 0.088 A 26 ARG CG C 13 27.141 0.084 A 26 ARG N N 15 117.326 0.026 A 27 CYS H H 1 7.591 0.007 A 27 CYS HA H 1 4.984 0.005 A 27 CYS HBy H 1 3.449 0.015 A 27 CYS HBx H 1 3.343 0.007 A 27 CYS C C 13 169.904 0.000 A 27 CYS CA C 13 58.989 0.052 A 27 CYS CB C 13 30.091 0.046 A 27 CYS N N 15 119.067 0.024 A 28 ASP H H 1 8.258 0.007 A 28 ASP HA H 1 4.721 0.009 A 28 ASP HBy H 1 2.883 0.012 A 28 ASP HBx H 1 2.757 0.011 A 28 ASP C C 13 173.757 0.000 A 28 ASP CA C 13 54.713 0.121 A 28 ASP CB C 13 41.242 0.062 A 28 ASP N N 15 114.418 0.044 A 29 LEU H H 1 8.499 0.008 A 29 LEU HA H 1 4.274 0.012 A 29 LEU HBy H 1 1.978 0.007 A 29 LEU HBx H 1 1.542 0.007 A 29 LEU HDx% H 1 1.230 0.007 A 29 LEU HDy% H 1 1.071 0.008 A 29 LEU HG H 1 2.209 0.008 A 29 LEU C C 13 174.384 0.000 A 29 LEU CA C 13 57.296 0.139 A 29 LEU CB C 13 42.827 0.102 A 29 LEU CDy C 13 26.225 0.033 A 29 LEU CDx C 13 22.951 0.060 A 29 LEU CG C 13 27.687 0.106 A 29 LEU N N 15 122.241 0.029 A 30 ARG H H 1 8.733 0.005 A 30 ARG HA H 1 4.774 0.009 A 30 ARG HBy H 1 2.360 0.008 A 30 ARG HBx H 1 1.671 0.009 A 30 ARG HD2 H 1 3.277 0.005 A 30 ARG HD3 H 1 3.277 0.005 A 30 ARG HGy H 1 1.908 0.007 A 30 ARG HGx H 1 1.829 0.011 A 30 ARG C C 13 172.226 0.000 A 30 ARG CA C 13 55.150 0.119 A 30 ARG CB C 13 31.711 0.075 A 30 ARG CD C 13 43.284 0.114 A 30 ARG CG C 13 27.745 0.100 A 30 ARG N N 15 117.045 0.026 A 31 GLU H H 1 7.144 0.007 A 31 GLU HA H 1 4.686 0.008 A 31 GLU HBy H 1 2.079 0.009 A 31 GLU HBx H 1 1.894 0.006 A 31 GLU HG2 H 1 2.234 0.005 A 31 GLU HG3 H 1 2.234 0.005 A 31 GLU C C 13 171.200 0.000 A 31 GLU CA C 13 54.098 0.112 A 31 GLU CB C 13 33.255 0.101 A 31 GLU CG C 13 35.640 0.101 A 31 GLU N N 15 117.520 0.032 A 32 ASN H H 1 8.888 0.005 A 32 ASN HA H 1 4.133 0.006 A 32 ASN HBy H 1 3.503 0.008 A 32 ASN HBx H 1 2.586 0.012 A 32 ASN C C 13 170.063 0.000 A 32 ASN CA C 13 53.238 0.204 A 32 ASN CB C 13 36.470 0.125 A 32 ASN N N 15 117.778 0.038 A 33 LEU H H 1 8.664 0.007 A 33 LEU HA H 1 4.617 0.009 A 33 LEU HBy H 1 1.599 0.009 A 33 LEU HBx H 1 0.822 0.006 A 33 LEU HDx% H 1 0.704 0.014 A 33 LEU HDy% H 1 0.512 0.010 A 33 LEU HG H 1 1.076 0.010 A 33 LEU C C 13 172.455 0.000 A 33 LEU CA C 13 53.452 0.068 A 33 LEU CB C 13 44.427 0.055 A 33 LEU CDy C 13 26.825 0.062 A 33 LEU CDx C 13 21.821 0.047 A 33 LEU CG C 13 26.204 0.054 A 33 LEU N N 15 117.404 0.030 A 34 TRP H H 1 9.101 0.007 A 34 TRP HA H 1 4.756 0.014 A 34 TRP HB2 H 1 2.958 0.013 A 34 TRP HB3 H 1 2.958 0.013 A 34 TRP HD1 H 1 7.048 0.006 A 34 TRP C C 13 172.096 0.000 A 34 TRP CA C 13 55.999 0.107 A 34 TRP CB C 13 30.428 0.044 A 34 TRP N N 15 121.204 0.036 A 35 LEU H H 1 9.667 0.007 A 35 LEU HA H 1 5.292 0.011 A 35 LEU HBy H 1 1.821 0.007 A 35 LEU HBx H 1 0.892 0.007 A 35 LEU HDx% H 1 0.518 0.014 A 35 LEU HDy% H 1 0.391 0.009 A 35 LEU HG H 1 1.050 0.007 A 35 LEU C C 13 173.038 0.000 A 35 LEU CA C 13 52.190 0.099 A 35 LEU CB C 13 44.187 0.085 A 35 LEU CDy C 13 26.617 0.073 A 35 LEU CDx C 13 26.382 0.040 A 35 LEU CG C 13 27.089 0.042 A 35 LEU N N 15 128.410 0.063 A 36 ASN H H 1 9.232 0.004 A 36 ASN HA H 1 5.076 0.015 A 36 ASN HBy H 1 3.635 0.006 A 36 ASN HBx H 1 3.032 0.005 A 36 ASN C C 13 173.891 0.000 A 36 ASN CA C 13 55.056 0.075 A 36 ASN CB C 13 39.944 0.093 A 36 ASN N N 15 128.851 0.021 A 37 LEU H H 1 8.515 0.009 A 37 LEU HA H 1 4.250 0.009 A 37 LEU HBy H 1 1.786 0.008 A 37 LEU HBx H 1 1.416 0.007 A 37 LEU HDx% H 1 0.847 0.006 A 37 LEU HDy% H 1 0.857 0.006 A 37 LEU HG H 1 1.648 0.008 A 37 LEU C C 13 173.492 0.000 A 37 LEU CA C 13 56.299 0.066 A 37 LEU CB C 13 42.730 0.089 A 37 LEU CDy C 13 25.528 0.068 A 37 LEU CDx C 13 22.759 0.088 A 37 LEU CG C 13 27.032 0.114 A 37 LEU N N 15 125.063 0.123 A 38 THR H H 1 9.176 0.011 A 38 THR HA H 1 4.674 0.002 A 38 THR HB H 1 3.480 0.006 A 38 THR HG2% H 1 0.346 0.007 A 38 THR C C 13 171.366 0.000 A 38 THR CA C 13 66.319 0.191 A 38 THR CB C 13 69.260 0.152 A 38 THR CG2 C 13 19.921 0.051 A 38 THR N N 15 115.954 0.043 A 39 ASP H H 1 7.253 0.013 A 39 ASP HA H 1 4.980 0.006 A 39 ASP HBy H 1 3.189 0.006 A 39 ASP HBx H 1 2.464 0.006 A 39 ASP C C 13 174.004 0.000 A 39 ASP CA C 13 52.109 0.088 A 39 ASP CB C 13 42.557 0.157 A 39 ASP N N 15 114.552 0.067 A 40 GLY H H 1 8.500 0.008 A 40 GLY HAy H 1 3.152 0.008 A 40 GLY HAx H 1 2.742 0.008 A 40 GLY C C 13 169.327 0.000 A 40 GLY CA C 13 45.852 0.064 A 40 GLY N N 15 114.786 0.033 A 41 SER H H 1 7.865 0.005 A 41 SER HA H 1 3.954 0.006 A 41 SER HBy H 1 3.813 0.013 A 41 SER HBx H 1 3.510 0.009 A 41 SER C C 13 170.653 0.000 A 41 SER CA C 13 58.684 0.126 A 41 SER CB C 13 64.027 0.075 A 41 SER N N 15 114.370 0.085 A 42 VAL H H 1 8.599 0.008 A 42 VAL HA H 1 4.542 0.009 A 42 VAL HB H 1 2.178 0.006 A 42 VAL HGx% H 1 0.629 0.012 A 42 VAL HGy% H 1 0.808 0.006 A 42 VAL C C 13 171.681 0.000 A 42 VAL CA C 13 62.544 0.125 A 42 VAL CB C 13 32.109 0.112 A 42 VAL CGy C 13 23.509 0.032 A 42 VAL CGx C 13 21.709 0.041 A 42 VAL N N 15 125.619 0.034 A 43 LEU H H 1 8.549 0.012 A 43 LEU HA H 1 6.234 0.010 A 43 LEU HBy H 1 1.925 0.005 A 43 LEU HBx H 1 1.344 0.009 A 43 LEU HDx% H 1 0.692 0.009 A 43 LEU HDy% H 1 1.166 0.006 A 43 LEU HG H 1 1.491 0.013 A 43 LEU C C 13 174.250 0.000 A 43 LEU CA C 13 52.623 0.080 A 43 LEU CB C 13 47.250 0.071 A 43 LEU CDy C 13 27.152 0.050 A 43 LEU CDx C 13 26.198 0.058 A 43 LEU CG C 13 26.970 0.080 A 43 LEU N N 15 124.916 0.061 A 44 CYS H H 1 9.726 0.005 A 44 CYS HA H 1 5.301 0.013 A 44 CYS HBy H 1 3.485 0.007 A 44 CYS HBx H 1 3.046 0.007 A 44 CYS C C 13 173.015 0.000 A 44 CYS CA C 13 58.441 0.091 A 44 CYS CB C 13 32.420 0.065 A 44 CYS N N 15 123.014 0.032 A 45 GLY H H 1 9.120 0.009 A 45 GLY CA C 13 44.888 0.087 A 45 GLY N N 15 106.692 0.031 A 53 GLY HA2 H 1 3.929 0.007 A 53 GLY HA3 H 1 3.929 0.007 A 53 GLY C C 13 170.131 0.000 A 53 GLY CA C 13 44.526 0.110 A 54 GLY H H 1 7.942 0.007 A 54 GLY HAy H 1 4.309 0.009 A 54 GLY HAx H 1 3.800 0.007 A 54 GLY CA C 13 44.876 0.073 A 54 GLY N N 15 106.795 0.020 A 55 ASN HA H 1 5.106 0.008 A 55 ASN HBy H 1 2.823 0.008 A 55 ASN HBx H 1 2.548 0.007 A 55 ASN C C 13 172.828 0.000 A 55 ASN CA C 13 52.790 0.148 A 55 ASN CB C 13 40.034 0.106 A 56 GLY H H 1 8.608 0.005 A 56 GLY CA C 13 46.751 0.072 A 56 GLY N N 15 109.096 0.049 A 57 HIS HA H 1 4.469 0.005 A 57 HIS HBy H 1 3.972 0.009 A 57 HIS HBx H 1 3.283 0.009 A 57 HIS C C 13 174.852 0.000 A 57 HIS CA C 13 62.702 0.159 A 57 HIS CB C 13 30.024 0.111 A 58 ALA H H 1 10.592 0.012 A 58 ALA HA H 1 4.116 0.008 A 58 ALA HB% H 1 1.460 0.005 A 58 ALA CA C 13 55.809 0.090 A 58 ALA CB C 13 17.383 0.003 A 58 ALA N N 15 125.599 0.074 A 59 LEU HA H 1 3.638 0.007 A 59 LEU HBy H 1 1.914 0.008 A 59 LEU HBx H 1 1.626 0.009 A 59 LEU HDx% H 1 1.044 0.006 A 59 LEU HDy% H 1 0.998 0.008 A 59 LEU HG H 1 1.526 0.005 A 59 LEU C C 13 175.607 0.000 A 59 LEU CA C 13 57.061 0.110 A 59 LEU CB C 13 42.031 0.082 A 59 LEU CDy C 13 26.100 0.061 A 59 LEU CDx C 13 24.167 0.088 A 59 LEU CG C 13 27.445 0.036 A 60 GLU H H 1 7.712 0.013 A 60 GLU HA H 1 3.875 0.008 A 60 GLU HBy H 1 2.266 0.008 A 60 GLU HBx H 1 2.221 0.008 A 60 GLU HGy H 1 2.487 0.008 A 60 GLU HGx H 1 2.285 0.003 A 60 GLU C C 13 174.774 0.000 A 60 GLU CA C 13 59.554 0.118 A 60 GLU CB C 13 29.947 0.048 A 60 GLU CG C 13 36.401 0.046 A 60 GLU N N 15 119.788 0.028 A 61 HIS H H 1 7.878 0.006 A 61 HIS HA H 1 4.483 0.012 A 61 HIS HBy H 1 3.242 0.017 A 61 HIS HBx H 1 3.185 0.017 A 61 HIS C C 13 174.485 0.000 A 61 HIS CA C 13 58.769 0.094 A 61 HIS CB C 13 31.150 0.179 A 61 HIS N N 15 117.339 0.213 A 62 TYR H H 1 7.312 0.006 A 62 TYR HA H 1 3.821 0.005 A 62 TYR HBy H 1 2.298 0.007 A 62 TYR HBx H 1 2.144 0.007 A 62 TYR C C 13 175.086 0.000 A 62 TYR CA C 13 61.328 0.102 A 62 TYR CB C 13 36.346 0.095 A 62 TYR N N 15 119.518 0.024 A 63 ARG H H 1 8.094 0.005 A 63 ARG HA H 1 3.317 0.006 A 63 ARG HB2 H 1 1.857 0.011 A 63 ARG HB3 H 1 1.857 0.011 A 63 ARG HD2 H 1 3.132 0.007 A 63 ARG HD3 H 1 3.132 0.007 A 63 ARG HGy H 1 1.794 0.010 A 63 ARG HGx H 1 1.519 0.005 A 63 ARG C C 13 174.536 0.000 A 63 ARG CA C 13 59.386 0.080 A 63 ARG CB C 13 29.047 0.105 A 63 ARG CD C 13 43.469 0.175 A 63 ARG CG C 13 27.734 0.102 A 63 ARG N N 15 121.260 0.050 A 64 ASP H H 1 7.611 0.009 A 64 ASP HA H 1 4.343 0.005 A 64 ASP HB2 H 1 2.551 0.004 A 64 ASP HB3 H 1 2.551 0.004 A 64 ASP C C 13 174.265 0.000 A 64 ASP CA C 13 56.521 0.099 A 64 ASP CB C 13 41.405 0.083 A 64 ASP N N 15 116.159 0.063 A 65 MET H H 1 7.763 0.033 A 65 MET HA H 1 4.248 0.007 A 65 MET HBy H 1 0.634 0.009 A 65 MET HBx H 1 0.355 0.009 A 65 MET HGy H 1 1.904 0.010 A 65 MET HGx H 1 1.704 0.007 A 65 MET C C 13 175.119 0.000 A 65 MET CA C 13 54.492 0.128 A 65 MET CB C 13 32.095 0.205 A 65 MET CG C 13 31.624 0.084 A 65 MET N N 15 113.081 0.087 A 66 GLY H H 1 8.567 0.013 A 66 GLY HAy H 1 3.770 0.014 A 66 GLY HAx H 1 3.147 0.011 A 66 GLY C C 13 170.955 0.000 A 66 GLY CA C 13 45.557 0.128 A 66 GLY N N 15 107.498 0.036 A 67 TYR H H 1 6.040 0.024 A 67 TYR HA H 1 5.262 0.010 A 67 TYR HBy H 1 3.831 0.007 A 67 TYR HBx H 1 3.010 0.008 A 67 TYR CA C 13 51.012 0.092 A 67 TYR CB C 13 35.871 0.058 A 67 TYR N N 15 121.484 0.069 A 68 PRO HA H 1 4.512 0.006 A 68 PRO HBy H 1 2.030 0.007 A 68 PRO HBx H 1 1.683 0.008 A 68 PRO HDy H 1 4.381 0.008 A 68 PRO HDx H 1 3.812 0.004 A 68 PRO HGy H 1 1.883 0.014 A 68 PRO HGx H 1 1.792 0.007 A 68 PRO C C 13 172.491 0.000 A 68 PRO CA C 13 67.240 0.092 A 68 PRO CB C 13 33.567 0.072 A 68 PRO CD C 13 50.638 0.122 A 68 PRO CG C 13 26.900 0.119 A 69 LEU H H 1 9.168 0.012 A 69 LEU HA H 1 5.472 0.009 A 69 LEU HBy H 1 1.919 0.007 A 69 LEU HBx H 1 1.136 0.007 A 69 LEU HDx% H 1 0.753 0.009 A 69 LEU HDy% H 1 0.902 0.011 A 69 LEU HG H 1 1.534 0.010 A 69 LEU C C 13 173.589 0.000 A 69 LEU CA C 13 53.846 0.097 A 69 LEU CB C 13 46.276 0.077 A 69 LEU CDy C 13 24.871 0.048 A 69 LEU CDx C 13 23.537 0.087 A 69 LEU CG C 13 27.638 0.047 A 69 LEU N N 15 118.931 0.073 A 70 ALA H H 1 8.753 0.008 A 70 ALA HA H 1 5.642 0.008 A 70 ALA HB% H 1 1.566 0.008 A 70 ALA C C 13 171.337 0.000 A 70 ALA CA C 13 50.762 0.090 A 70 ALA CB C 13 24.521 0.060 A 70 ALA N N 15 121.866 0.032 A 71 VAL H H 1 9.196 0.008 A 71 VAL HA H 1 5.275 0.007 A 71 VAL HB H 1 1.802 0.006 A 71 VAL HGx% H 1 0.952 0.007 A 71 VAL HGy% H 1 0.885 0.007 A 71 VAL C C 13 170.306 0.000 A 71 VAL CA C 13 58.536 0.055 A 71 VAL CB C 13 35.732 0.097 A 71 VAL CGy C 13 23.708 0.074 A 71 VAL CGx C 13 21.657 0.139 A 71 VAL N N 15 119.610 0.041 A 72 LYS H H 1 8.021 0.006 A 72 LYS HA H 1 3.162 0.011 A 72 LYS HB2 H 1 1.091 0.009 A 72 LYS HB3 H 1 1.091 0.009 A 72 LYS HD2 H 1 1.233 0.010 A 72 LYS HD3 H 1 1.233 0.010 A 72 LYS HEy H 1 2.815 0.012 A 72 LYS HEx H 1 2.777 0.008 A 72 LYS HG2 H 1 0.749 0.006 A 72 LYS HG3 H 1 0.749 0.006 A 72 LYS C C 13 174.046 0.000 A 72 LYS CA C 13 56.334 0.091 A 72 LYS CB C 13 30.806 0.079 A 72 LYS CD C 13 29.036 0.082 A 72 LYS CE C 13 42.202 0.057 A 72 LYS CG C 13 24.743 0.070 A 72 LYS N N 15 130.635 0.028 A 73 LEU H H 1 8.321 0.006 A 73 LEU HA H 1 3.538 0.008 A 73 LEU HBy H 1 0.906 0.009 A 73 LEU HBx H 1 -0.144 0.006 A 73 LEU HDx% H 1 -0.178 0.008 A 73 LEU HDy% H 1 -0.028 0.005 A 73 LEU HG H 1 0.963 0.005 A 73 LEU C C 13 174.596 0.000 A 73 LEU CA C 13 56.616 0.114 A 73 LEU CB C 13 39.706 0.066 A 73 LEU CDy C 13 25.888 0.033 A 73 LEU CDx C 13 21.555 0.031 A 73 LEU CG C 13 26.197 0.079 A 73 LEU N N 15 132.914 0.035 A 74 GLY H H 1 8.931 0.005 A 74 GLY HAy H 1 4.496 0.009 A 74 GLY HAx H 1 4.054 0.004 A 74 GLY C C 13 171.819 0.000 A 74 GLY CA C 13 44.996 0.106 A 74 GLY N N 15 109.614 0.051 A 75 THR H H 1 7.340 0.005 A 75 THR HA H 1 4.687 0.008 A 75 THR HB H 1 4.473 0.005 A 75 THR HG2% H 1 1.071 0.005 A 75 THR C C 13 170.347 0.000 A 75 THR CA C 13 61.282 0.127 A 75 THR CB C 13 70.331 0.197 A 75 THR CG2 C 13 21.051 0.018 A 75 THR N N 15 106.917 0.019 A 76 ILE H H 1 7.118 0.007 A 76 ILE HA H 1 4.277 0.007 A 76 ILE HB H 1 1.811 0.011 A 76 ILE HD1% H 1 0.865 0.008 A 76 ILE HG1y H 1 1.772 0.009 A 76 ILE HG1x H 1 0.755 0.006 A 76 ILE HG2% H 1 0.880 0.009 A 76 ILE C C 13 172.567 0.000 A 76 ILE CA C 13 62.893 0.122 A 76 ILE CB C 13 38.095 0.096 A 76 ILE CD1 C 13 14.375 0.081 A 76 ILE CG1 C 13 28.457 0.060 A 76 ILE CG2 C 13 18.843 0.040 A 76 ILE N N 15 121.340 0.022 A 77 THR H H 1 9.198 0.004 A 77 THR HA H 1 5.004 0.009 A 77 THR HB H 1 4.700 0.006 A 77 THR HG2% H 1 1.202 0.005 A 77 THR CA C 13 59.701 0.139 A 77 THR CB C 13 70.281 0.233 A 77 THR CG2 C 13 21.024 0.046 A 77 THR N N 15 123.014 0.049 A 78 PRO HA H 1 4.287 0.005 A 78 PRO HBy H 1 2.377 0.007 A 78 PRO HBx H 1 1.795 0.004 A 78 PRO HDy H 1 3.945 0.008 A 78 PRO HDx H 1 3.745 0.006 A 78 PRO HGy H 1 2.090 0.006 A 78 PRO HGx H 1 2.003 0.006 A 78 PRO C C 13 173.535 0.000 A 78 PRO CA C 13 64.980 0.147 A 78 PRO CB C 13 31.994 0.123 A 78 PRO CD C 13 50.635 0.109 A 78 PRO CG C 13 28.315 0.064 A 79 ASP H H 1 7.692 0.005 A 79 ASP HA H 1 4.722 0.005 A 79 ASP HBy H 1 2.764 0.010 A 79 ASP HBx H 1 2.321 0.004 A 79 ASP C C 13 172.841 0.000 A 79 ASP CA C 13 54.004 0.135 A 79 ASP CB C 13 42.662 0.084 A 79 ASP N N 15 111.642 0.025 A 80 GLY H H 1 7.691 0.005 A 80 GLY HAy H 1 4.438 0.008 A 80 GLY HAx H 1 3.698 0.005 A 80 GLY C C 13 166.628 0.000 A 80 GLY CA C 13 45.495 0.081 A 80 GLY N N 15 109.095 0.042 A 81 ALA H H 1 7.718 0.005 A 81 ALA HA H 1 4.724 0.006 A 81 ALA HB% H 1 1.224 0.004 A 81 ALA C C 13 172.644 0.000 A 81 ALA CA C 13 50.832 0.088 A 81 ALA CB C 13 23.960 0.067 A 81 ALA N N 15 117.261 0.016 A 82 ASP H H 1 8.499 0.005 A 82 ASP HA H 1 4.939 0.006 A 82 ASP HBy H 1 2.453 0.007 A 82 ASP HBx H 1 2.060 0.005 A 82 ASP C C 13 170.488 0.000 A 82 ASP CA C 13 55.229 0.104 A 82 ASP CB C 13 40.470 0.094 A 82 ASP N N 15 119.878 0.037 A 83 VAL H H 1 8.563 0.005 A 83 VAL HA H 1 4.965 0.008 A 83 VAL HB H 1 2.597 0.005 A 83 VAL HGx% H 1 1.066 0.007 A 83 VAL HGy% H 1 0.837 0.011 A 83 VAL C C 13 171.821 0.000 A 83 VAL CA C 13 60.989 0.113 A 83 VAL CB C 13 32.413 0.126 A 83 VAL CGy C 13 22.659 0.089 A 83 VAL CGx C 13 21.722 0.059 A 83 VAL N N 15 125.692 0.071 A 84 TYR H H 1 9.743 0.005 A 84 TYR HA H 1 4.814 0.014 A 84 TYR HBy H 1 2.761 0.007 A 84 TYR HBx H 1 2.096 0.009 A 84 TYR C C 13 169.587 0.000 A 84 TYR CA C 13 57.356 0.137 A 84 TYR CB C 13 44.434 0.051 A 84 TYR N N 15 128.160 0.021 A 85 SER H H 1 6.715 0.015 A 85 SER HA H 1 5.283 0.008 A 85 SER HBy H 1 3.683 0.012 A 85 SER HBx H 1 3.545 0.014 A 85 SER C C 13 172.017 0.000 A 85 SER CA C 13 52.437 0.138 A 85 SER CB C 13 64.856 0.079 A 85 SER N N 15 117.491 0.045 A 86 PHE H H 1 9.093 0.008 A 86 PHE HA H 1 3.757 0.006 A 86 PHE HBy H 1 1.595 0.010 A 86 PHE HBx H 1 1.347 0.008 A 86 PHE HD1 H 1 6.897 0.026 A 86 PHE HD2 H 1 6.897 0.026 A 86 PHE C C 13 174.081 0.000 A 86 PHE CA C 13 59.732 0.136 A 86 PHE CB C 13 37.079 0.069 A 86 PHE N N 15 126.999 0.032 A 87 GLN H H 1 6.708 0.009 A 87 GLN HA H 1 4.156 0.005 A 87 GLN HBy H 1 1.865 0.006 A 87 GLN HBx H 1 1.761 0.006 A 87 GLN HG2 H 1 2.321 0.011 A 87 GLN HG3 H 1 2.321 0.011 A 87 GLN C C 13 174.488 0.000 A 87 GLN CA C 13 57.872 0.173 A 87 GLN CB C 13 29.950 0.061 A 87 GLN CG C 13 33.645 0.048 A 87 GLN N N 15 114.863 0.027 A 88 GLU H H 1 7.751 0.006 A 88 GLU HA H 1 4.105 0.006 A 88 GLU HBy H 1 2.384 0.006 A 88 GLU HBx H 1 1.578 0.009 A 88 GLU HGy H 1 2.492 0.005 A 88 GLU HGx H 1 2.260 0.005 A 88 GLU C C 13 171.665 0.000 A 88 GLU CA C 13 56.832 0.106 A 88 GLU CB C 13 29.486 0.158 A 88 GLU CG C 13 38.315 0.059 A 88 GLU N N 15 116.246 0.055 A 89 GLU H H 1 7.772 0.006 A 89 GLU HA H 1 3.719 0.008 A 89 GLU HB2 H 1 2.202 0.006 A 89 GLU HB3 H 1 2.202 0.006 A 89 GLU HGy H 1 2.195 0.003 A 89 GLU HGx H 1 2.088 0.004 A 89 GLU C C 13 171.719 0.000 A 89 GLU CA C 13 56.806 0.093 A 89 GLU CB C 13 26.530 0.105 A 89 GLU CG C 13 37.436 0.122 A 89 GLU N N 15 116.876 0.082 A 90 GLU H H 1 6.890 0.036 A 90 GLU HA H 1 5.022 0.007 A 90 GLU HBy H 1 2.217 0.009 A 90 GLU HBx H 1 1.789 0.005 A 90 GLU HGy H 1 2.137 0.010 A 90 GLU HGx H 1 2.082 0.007 A 90 GLU CA C 13 53.865 0.050 A 90 GLU CB C 13 31.295 0.058 A 90 GLU CG C 13 34.216 0.097 A 90 GLU N N 15 113.161 0.049 A 91 PRO HA H 1 5.313 0.012 A 91 PRO HBy H 1 2.688 0.011 A 91 PRO HBx H 1 2.131 0.006 A 91 PRO HDy H 1 4.134 0.008 A 91 PRO HDx H 1 3.957 0.019 A 91 PRO HG2 H 1 2.304 0.011 A 91 PRO HG3 H 1 2.304 0.011 A 91 PRO C C 13 173.743 0.000 A 91 PRO CA C 13 62.637 0.068 A 91 PRO CB C 13 32.336 0.061 A 91 PRO CD C 13 51.408 0.129 A 91 PRO CG C 13 28.180 0.063 A 92 VAL H H 1 8.259 0.004 A 92 VAL HA H 1 5.059 0.006 A 92 VAL HB H 1 2.131 0.008 A 92 VAL HGx% H 1 0.892 0.007 A 92 VAL HGy% H 1 0.575 0.007 A 92 VAL C C 13 171.287 0.000 A 92 VAL CA C 13 58.912 0.082 A 92 VAL CB C 13 37.232 0.067 A 92 VAL CGy C 13 21.455 0.061 A 92 VAL CGx C 13 18.517 0.050 A 92 VAL N N 15 113.717 0.060 A 93 LEU H H 1 8.281 0.008 A 93 LEU HA H 1 4.699 0.005 A 93 LEU HB2 H 1 1.438 0.003 A 93 LEU HB3 H 1 1.438 0.003 A 93 LEU HDx% H 1 0.873 0.010 A 93 LEU HDy% H 1 0.901 0.007 A 93 LEU HG H 1 1.433 0.008 A 93 LEU C C 13 173.531 0.000 A 93 LEU CA C 13 53.355 0.102 A 93 LEU CB C 13 43.778 0.072 A 93 LEU CDy C 13 24.756 0.084 A 93 LEU CDx C 13 23.397 0.104 A 93 LEU CG C 13 27.278 0.056 A 93 LEU N N 15 118.493 0.035 A 94 ASP H H 1 9.490 0.006 A 94 ASP HA H 1 5.182 0.010 A 94 ASP HBy H 1 3.158 0.009 A 94 ASP HBx H 1 2.347 0.004 A 94 ASP CA C 13 48.868 0.097 A 94 ASP CB C 13 40.768 0.048 A 94 ASP N N 15 120.082 0.028 A 95 PRO HA H 1 4.321 0.007 A 95 PRO HBy H 1 2.313 0.005 A 95 PRO HBx H 1 1.300 0.010 A 95 PRO HDy H 1 3.925 0.007 A 95 PRO HDx H 1 3.725 0.007 A 95 PRO HGy H 1 1.910 0.007 A 95 PRO HGx H 1 1.875 0.008 A 95 PRO C C 13 173.053 0.000 A 95 PRO CA C 13 63.931 0.077 A 95 PRO CB C 13 32.217 0.044 A 95 PRO CD C 13 51.348 0.187 A 95 PRO CG C 13 27.234 0.079 A 96 HIS H H 1 7.559 0.016 A 96 HIS HA H 1 4.907 0.012 A 96 HIS HBy H 1 2.808 0.006 A 96 HIS HBx H 1 2.259 0.005 A 96 HIS C C 13 171.711 0.000 A 96 HIS CA C 13 53.446 0.145 A 96 HIS CB C 13 29.405 0.113 A 96 HIS N N 15 115.509 0.094 A 97 LEU H H 1 7.210 0.010 A 97 LEU HA H 1 4.073 0.011 A 97 LEU HBy H 1 2.063 0.011 A 97 LEU HBx H 1 1.790 0.005 A 97 LEU HDx% H 1 0.962 0.008 A 97 LEU HDy% H 1 1.043 0.005 A 97 LEU HG H 1 1.746 0.011 A 97 LEU C C 13 174.530 0.000 A 97 LEU CA C 13 58.904 0.088 A 97 LEU CB C 13 41.594 0.130 A 97 LEU CDy C 13 26.614 0.104 A 97 LEU CDx C 13 23.318 0.064 A 97 LEU CG C 13 26.546 0.053 A 97 LEU N N 15 121.634 0.040 A 98 ALA H H 1 8.770 0.007 A 98 ALA HA H 1 4.106 0.004 A 98 ALA HB% H 1 1.472 0.006 A 98 ALA C C 13 178.292 0.000 A 98 ALA CA C 13 56.303 0.115 A 98 ALA CB C 13 17.310 0.055 A 98 ALA N N 15 118.386 0.031 A 99 LYS H H 1 7.784 0.007 A 99 LYS HA H 1 4.205 0.008 A 99 LYS HBy H 1 1.925 0.007 A 99 LYS HBx H 1 1.838 0.006 A 99 LYS HDy H 1 1.673 0.008 A 99 LYS HDx H 1 1.634 0.003 A 99 LYS HE2 H 1 2.978 0.007 A 99 LYS HE3 H 1 2.978 0.007 A 99 LYS HGy H 1 1.542 0.007 A 99 LYS HGx H 1 1.412 0.009 A 99 LYS C C 13 176.617 0.000 A 99 LYS CA C 13 59.257 0.102 A 99 LYS CB C 13 32.223 0.033 A 99 LYS CD C 13 29.526 0.041 A 99 LYS CE C 13 42.110 0.157 A 99 LYS CG C 13 24.799 0.047 A 99 LYS N N 15 121.067 0.034 A 100 HIS H H 1 8.639 0.007 A 100 HIS HA H 1 5.252 0.010 A 100 HIS HBy H 1 3.333 0.011 A 100 HIS HBx H 1 3.116 0.005 A 100 HIS C C 13 175.991 0.000 A 100 HIS CA C 13 56.478 0.149 A 100 HIS CB C 13 30.611 0.153 A 100 HIS N N 15 120.346 0.028 A 101 LEU H H 1 9.124 0.008 A 101 LEU HA H 1 4.407 0.007 A 101 LEU HBy H 1 2.044 0.007 A 101 LEU HBx H 1 1.486 0.006 A 101 LEU HDx% H 1 0.928 0.006 A 101 LEU HDy% H 1 0.843 0.013 A 101 LEU HG H 1 1.999 0.004 A 101 LEU C C 13 177.009 0.000 A 101 LEU CA C 13 57.340 0.101 A 101 LEU CB C 13 40.702 0.082 A 101 LEU CDy C 13 27.491 0.114 A 101 LEU CDx C 13 23.098 0.211 A 101 LEU CG C 13 26.525 0.125 A 101 LEU N N 15 118.038 0.049 A 102 ALA H H 1 8.401 0.010 A 102 ALA HA H 1 4.316 0.008 A 102 ALA HB% H 1 1.639 0.011 A 102 ALA C C 13 178.406 0.000 A 102 ALA CA C 13 54.992 0.107 A 102 ALA CB C 13 17.630 0.128 A 102 ALA N N 15 124.955 0.033 A 103 HIS H H 1 7.693 0.007 A 103 HIS HA H 1 4.090 0.006 A 103 HIS HBy H 1 3.233 0.006 A 103 HIS HBx H 1 2.761 0.007 A 103 HIS C C 13 172.359 0.000 A 103 HIS CA C 13 59.093 0.115 A 103 HIS CB C 13 29.592 0.132 A 103 HIS N N 15 118.526 0.156 A 104 PHE H H 1 7.340 0.017 A 104 PHE HA H 1 5.069 0.007 A 104 PHE HBy H 1 3.841 0.008 A 104 PHE HBx H 1 2.630 0.007 A 104 PHE C C 13 171.790 0.000 A 104 PHE CA C 13 57.424 0.123 A 104 PHE CB C 13 39.967 0.078 A 104 PHE N N 15 113.039 0.045 A 105 GLY H H 1 8.023 0.006 A 105 GLY HAy H 1 4.252 0.009 A 105 GLY HAx H 1 3.858 0.008 A 105 GLY C C 13 171.157 0.000 A 105 GLY CA C 13 45.788 0.056 A 105 GLY N N 15 105.967 0.028 A 106 ILE H H 1 7.575 0.008 A 106 ILE HA H 1 4.155 0.006 A 106 ILE HB H 1 1.717 0.006 A 106 ILE HD1% H 1 0.723 0.007 A 106 ILE HG1y H 1 1.496 0.004 A 106 ILE HG1x H 1 1.025 0.011 A 106 ILE HG2% H 1 0.807 0.009 A 106 ILE C C 13 171.237 0.000 A 106 ILE CA C 13 60.626 0.125 A 106 ILE CB C 13 38.832 0.087 A 106 ILE CD1 C 13 13.897 0.033 A 106 ILE CG1 C 13 26.972 0.083 A 106 ILE CG2 C 13 16.913 0.029 A 106 ILE N N 15 121.208 0.042 A 107 ASP H H 1 8.859 0.005 A 107 ASP HA H 1 4.714 0.005 A 107 ASP HBy H 1 2.962 0.008 A 107 ASP HBx H 1 2.594 0.008 A 107 ASP C C 13 173.285 0.000 A 107 ASP CA C 13 51.770 0.050 A 107 ASP CB C 13 40.935 0.121 A 107 ASP N N 15 128.582 0.035 A 108 MET H H 1 8.310 0.006 A 108 MET HA H 1 3.792 0.008 A 108 MET HBy H 1 2.046 0.011 A 108 MET HBx H 1 1.931 0.008 A 108 MET HG2 H 1 2.418 0.011 A 108 MET HG3 H 1 2.418 0.011 A 108 MET C C 13 172.414 0.000 A 108 MET CA C 13 58.832 0.099 A 108 MET CB C 13 34.011 0.102 A 108 MET CG C 13 31.665 0.076 A 108 MET N N 15 123.217 0.017 A 109 LEU H H 1 7.821 0.008 A 109 LEU HA H 1 4.042 0.005 A 109 LEU HBy H 1 1.620 0.005 A 109 LEU HBx H 1 1.261 0.005 A 109 LEU HDx% H 1 0.947 0.012 A 109 LEU HDy% H 1 0.890 0.005 A 109 LEU HG H 1 1.596 0.008 A 109 LEU C C 13 174.508 0.000 A 109 LEU CA C 13 55.962 0.110 A 109 LEU CB C 13 41.376 0.093 A 109 LEU CDy C 13 24.676 0.111 A 109 LEU CDx C 13 23.043 0.076 A 109 LEU CG C 13 27.427 0.072 A 109 LEU N N 15 114.681 0.079 A 110 HIS H H 1 7.469 0.006 A 110 HIS HA H 1 4.855 0.003 A 110 HIS HBy H 1 3.434 0.017 A 110 HIS HBx H 1 2.870 0.007 A 110 HIS C C 13 171.324 0.000 A 110 HIS CA C 13 55.032 0.137 A 110 HIS CB C 13 29.217 0.133 A 110 HIS N N 15 115.868 0.124 A 111 MET H H 1 7.937 0.010 A 111 MET HA H 1 4.586 0.006 A 111 MET HBy H 1 2.039 0.009 A 111 MET HBx H 1 1.941 0.013 A 111 MET HGy H 1 2.578 0.011 A 111 MET HGx H 1 2.480 0.011 A 111 MET C C 13 173.039 0.000 A 111 MET CA C 13 55.510 0.153 A 111 MET CB C 13 32.543 0.159 A 111 MET CG C 13 32.414 0.038 A 111 MET N N 15 121.272 0.042 A 112 HIS H H 1 8.570 0.015 A 112 HIS HA H 1 4.793 0.004 A 112 HIS HBy H 1 3.336 0.007 A 112 HIS HBx H 1 3.222 0.008 A 112 HIS C C 13 172.289 0.000 A 112 HIS CA C 13 55.769 0.052 A 112 HIS CB C 13 29.856 0.066 A 112 HIS N N 15 119.094 0.069 A 113 GLY H H 1 8.458 0.010 A 113 GLY HA2 H 1 4.051 0.006 A 113 GLY HA3 H 1 4.051 0.006 A 113 GLY C C 13 170.581 0.000 A 113 GLY CA C 13 45.376 0.057 A 113 GLY N N 15 110.433 0.023 A 114 THR H H 1 7.809 0.007 A 114 THR HA H 1 4.235 0.002 A 114 THR HB H 1 4.305 0.006 A 114 THR HG2% H 1 1.212 0.007 A 114 THR CA C 13 63.270 0.012 A 114 THR CB C 13 71.012 0.267 A 114 THR CG2 C 13 21.900 0.048 A 114 THR N N 15 118.762 0.022 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 59 LEU HA A 59 LEU HBy 1.0 1.745 3.395 2 2 A 17 ILE HD1% A 17 ILE HG1y 1.0 1.555 2.673 3 3 A 17 ILE HD1% A 17 ILE HA 1.0 1.618 2.886 4 4 A 17 ILE HD1% A 18 PRO HDy 1.0 1.790 3.620 5 5 A 73 LEU HDy% A 35 LEU HBy 1.0 1.732 3.340 6 6 A 33 LEU HBx A 73 LEU HDx% 1.0 1.795 3.647 7 7 A 73 LEU HDx% A 71 VAL HB 1.0 1.964 4.964 8 8 A 10 GLN HGx A 8 LEU HDx% 1.0 1.868 4.076 9 9 A 8 LEU HDx% A 10 GLN HGy 1.0 1.846 3.932 10 10 A 65 MET HBx A 65 MET HBy 1.0 1.585 2.769 11 11 A 95 PRO HBx A 95 PRO HBy 1.0 1.429 2.297 12 12 A 73 LEU HBx A 73 LEU HBy 1.0 1.463 2.391 13 13 A 109 LEU HBx A 109 LEU HA 1.0 1.643 2.975 14 14 A 73 LEU HDx% A 33 LEU HBy 1.0 1.707 3.229 15 15 A 73 LEU HDy% A 35 LEU HBx 1.0 1.799 3.667 16 16 A 73 LEU HDx% A 35 LEU HBx 1.0 1.859 4.017 17 17 A 72 LYS HD2 A 72 LYS HB3 1.0 1.685 3.143 18 18 A 39 ASP HBx A 39 ASP HA 1.0 1.647 2.989 19 19 A 39 ASP HA A 39 ASP HBy 1.0 1.486 2.458 20 20 A 39 ASP HBx A 39 ASP HBy 1.0 1.472 2.418 21 21 A 39 ASP HBy A 11 LEU HG 1.0 1.637 2.955 22 22 A 39 ASP HBx A 11 LEU HG 1.0 1.738 3.366 23 23 A 70 ALA HB% A 34 TRP HB2 1.0 1.553 2.667 24 24 A 34 TRP HB2 A 34 TRP HA 1.0 1.667 3.069 25 25 A 77 THR HB A 77 THR HA 1.0 1.780 3.566 26 26 A 77 THR HB A 78 PRO HDx 1.0 1.828 3.828 27 27 A 75 THR HB A 75 THR HA 1.0 1.555 2.669 28 28 A 75 THR HB A 75 THR HG2% 1.0 1.657 3.029 29 29 A 39 ASP H A 38 THR HB 1.0 1.714 3.264 30 30 A 38 THR HB A 38 THR H 1.0 1.718 3.282 31 31 A 70 ALA HB% A 70 ALA HA 1.0 1.585 2.769 32 32 A 70 ALA HA A 37 LEU HDy% 1.0 1.767 3.503 33 33 A 70 ALA HA A 36 ASN HA 1.0 1.600 2.822 34 34 A 69 LEU HA A 69 LEU HG 1.0 1.815 3.753 35 35 A 69 LEU HA A 69 LEU HBx 1.0 1.700 3.202 36 36 A 69 LEU HA A 69 LEU HDy% 1.0 1.595 2.805 37 37 A 69 LEU HA A 85 SER HA 1.0 1.744 3.396 38 38 A 32 ASN HA A 72 LYS HEy 1.0 1.667 3.069 39 39 A 32 ASN HA A 72 LYS HEx 1.0 1.735 3.355 40 40 A 79 ASP HBy A 79 ASP HA 1.0 1.595 2.805 41 41 A 32 ASN HA A 32 ASN H 1.0 1.627 2.915 42 42 A 32 ASN HA A 33 LEU H 1.0 1.739 3.371 43 43 A 109 LEU HA A 78 PRO HBy 1.0 1.935 4.629 44 44 A 109 LEU HA A 108 MET HBy 1.0 1.952 4.814 45 45 A 109 LEU HA A 109 LEU H 1.0 1.803 3.685 46 46 A 98 ALA HA A 98 ALA H 1.0 1.788 3.606 47 47 A 98 ALA HA A 99 LYS H 1.0 1.830 3.840 48 48 A 94 ASP H A 94 ASP HA 1.0 1.667 3.069 49 49 A 94 ASP HA A 5 ALA HB% 1.0 1.823 3.795 50 50 A 107 ASP HA A 108 MET H 1.0 1.726 3.314 51 51 A 44 CYS HBy A 44 CYS HBx 1.0 1.489 2.465 52 52 A 44 CYS HBy A 44 CYS HA 1.0 1.690 3.162 53 53 A 44 CYS HBy A 29 LEU HDx% 1.0 1.814 3.746 54 54 A 44 CYS HBy A 33 LEU HDy% 1.0 1.787 3.603 55 55 A 33 LEU HDy% A 24 CYS HBx 1.0 1.661 3.045 56 56 A 44 CYS HBx A 33 LEU HDy% 1.0 1.647 2.989 57 57 A 33 LEU HDy% A 24 CYS HA 1.0 1.852 3.974 58 58 A 33 LEU HDy% A 23 LYS HA 1.0 1.937 4.643 59 59 A 33 LEU HDy% A 33 LEU HA 1.0 1.610 2.856 60 60 A 44 CYS HA A 33 LEU HDy% 1.0 1.632 2.936 61 61 A 33 LEU HDy% A 24 CYS HBy 1.0 1.916 4.438 62 62 A 24 CYS HBx A 24 CYS HA 1.0 1.676 3.102 63 63 A 24 CYS HBx A 24 CYS HBy 1.0 1.431 2.301 64 64 A 24 CYS HA A 24 CYS HBy 1.0 1.649 2.999 65 65 A 71 VAL HA A 83 VAL HA 1.0 1.657 3.029 66 66 A 44 CYS HA A 33 LEU HA 1.0 1.542 2.630 67 67 A 44 CYS HBx A 44 CYS HA 1.0 1.696 3.182 68 68 A 24 CYS HA A 25 ALA HB% 1.0 1.979 5.207 69 69 A 24 CYS HA A 42 VAL HGx% 1.0 1.871 4.095 70 70 A 24 CYS HA A 43 LEU HA 1.0 1.687 3.147 71 71 A 43 LEU HA A 44 CYS H 1.0 1.597 2.813 72 72 A 43 LEU HA A 25 ALA H 1.0 1.752 3.430 73 73 A 43 LEU HA A 43 LEU H 1.0 1.826 3.812 74 74 A 12 ASP HA A 12 ASP HBy 1.0 1.631 2.933 75 75 A 12 ASP HA A 12 ASP HBx 1.0 1.716 3.270 76 76 A 106 ILE HD1% A 106 ILE HA 1.0 1.933 4.601 77 77 A 106 ILE HD1% A 106 ILE HB 1.0 1.575 2.737 78 78 A 106 ILE HD1% A 106 ILE HG1y 1.0 1.707 3.229 79 79 A 106 ILE HD1% A 104 PHE HBy 1.0 1.885 4.195 80 80 A 17 ILE HD1% A 17 ILE HB 1.0 1.806 3.702 81 81 A 76 ILE HB A 76 ILE HD1% 1.0 1.451 2.359 82 82 A 88 GLU HGx A 88 GLU HGy 1.0 1.487 2.461 83 83 A 88 GLU HGy A 88 GLU HBx 1.0 1.656 3.026 84 84 A 88 GLU HGx A 88 GLU HBx 1.0 1.700 3.202 85 85 A 88 GLU HGy A 88 GLU HA 1.0 1.857 4.003 86 86 A 88 GLU HGx A 88 GLU HA 1.0 1.831 3.847 87 87 A 36 ASN HBy A 36 ASN HBx 1.0 1.580 2.754 88 88 A 36 ASN HA A 36 ASN HBy 1.0 1.749 3.417 89 89 A 36 ASN HA A 36 ASN HBx 1.0 1.772 3.528 90 90 A 69 LEU HA A 70 ALA H 1.0 1.536 2.610 91 91 A 69 LEU HA A 69 LEU H 1.0 1.707 3.229 92 92 A 85 SER HA A 85 SER HBy 1.0 1.706 3.224 93 93 A 85 SER HA A 85 SER HBx 1.0 1.757 3.451 94 94 A 92 VAL H A 91 PRO HA 1.0 1.562 2.696 95 95 A 91 PRO HA A 84 TYR HA 1.0 1.616 2.878 96 96 A 91 PRO HA A 91 PRO HBy 1.0 1.741 3.379 97 97 A 91 PRO HA A 91 PRO HBx 1.0 1.811 3.729 98 98 A 60 GLU HA A 63 ARG HB2 1.0 1.628 2.924 99 99 A 61 HIS HA A 64 ASP HB2 1.0 1.637 2.955 100 100 A 61 HIS HA A 61 HIS HBx 1.0 1.744 3.390 101 101 A 62 TYR HA A 62 TYR HBy 1.0 1.763 3.485 102 102 A 62 TYR HA A 62 TYR HBx 1.0 1.725 3.307 103 103 A 64 ASP HB2 A 65 MET HGy 1.0 1.669 3.077 104 104 A 60 GLU HA A 60 GLU HGx 1.0 1.864 4.054 105 105 A 60 GLU HA A 60 GLU HGy 1.0 1.718 3.276 106 106 A 60 GLU HGx A 60 GLU HGy 1.0 1.313 1.997 107 107 A 59 LEU HA A 62 TYR HBy 1.0 1.702 3.208 108 108 A 32 ASN HA A 32 ASN HBx 1.0 1.664 3.056 109 109 A 32 ASN HA A 32 ASN HBy 1.0 1.728 3.320 110 110 A 32 ASN HBx A 32 ASN HBy 1.0 1.461 2.385 111 111 A 67 TYR HBx A 67 TYR HBy 1.0 1.555 2.671 112 112 A 67 TYR HBy A 67 TYR HA 1.0 1.744 3.392 113 113 A 38 THR HB A 67 TYR HBy 1.0 1.692 3.172 114 114 A 38 THR HB A 67 TYR HBx 1.0 1.812 3.734 115 115 A 104 PHE HBy A 104 PHE HA 1.0 1.714 3.258 116 116 A 104 PHE HBy A 104 PHE HBx 1.0 1.499 2.495 117 117 A 104 PHE HA A 104 PHE HBx 1.0 1.772 3.526 118 118 A 106 ILE HB A 104 PHE HBy 1.0 1.771 3.521 119 119 A 106 ILE HA A 106 ILE HB 1.0 1.806 3.698 120 120 A 106 ILE HB A 101 LEU HBy 1.0 1.731 3.333 121 121 A 65 MET HBy A 65 MET HGy 1.0 1.876 4.128 122 122 A 65 MET HBx A 65 MET HGy 1.0 1.748 3.410 123 123 A 65 MET HBx A 65 MET HGx 1.0 1.780 3.566 124 124 A 65 MET HBy A 65 MET HGx 1.0 1.781 3.573 125 125 A 44 CYS HBx A 29 LEU HDx% 1.0 1.839 3.893 126 126 A 4 TYR HBx A 4 TYR HBy 1.0 1.491 2.473 127 127 A 4 TYR HBx A 4 TYR HA 1.0 1.765 3.493 128 128 A 40 GLY HAy A 40 GLY HAx 1.0 1.448 2.348 129 129 A 40 GLY HAx A 15 VAL HGy% 1.0 1.921 4.491 130 130 A 40 GLY HAx A 35 LEU HDy% 1.0 1.765 3.493 131 131 A 40 GLY HAy A 35 LEU HDy% 1.0 1.850 3.962 132 132 A 15 VAL HGy% A 15 VAL HA 1.0 1.617 2.883 133 133 A 40 GLY HAy A 15 VAL HGy% 1.0 1.653 3.015 134 134 A 66 GLY HAy A 66 GLY HAx 1.0 1.437 2.317 135 135 A 100 HIS HA A 100 HIS HBx 1.0 1.677 3.107 136 136 A 100 HIS HA A 100 HIS H 1.0 1.600 2.822 137 137 A 44 CYS HA A 45 GLY H 1.0 1.564 2.700 138 138 A 44 CYS HA A 44 CYS H 1.0 1.732 3.340 139 139 A 89 GLU HA A 89 GLU HGy 1.0 1.510 2.532 140 140 A 89 GLU HA A 89 GLU H 1.0 1.616 2.880 141 141 A 59 LEU HA A 62 TYR H 1.0 1.867 4.067 142 142 A 74 GLY H A 73 LEU HA 1.0 1.598 2.816 143 143 A 73 LEU HA A 73 LEU H 1.0 1.788 3.604 144 144 A 73 LEU HA A 75 THR H 1.0 1.864 4.052 145 145 A 73 LEU HA A 76 ILE HG1y 1.0 1.818 3.770 146 146 A 73 LEU HBy A 73 LEU HA 1.0 1.630 2.930 147 147 A 73 LEU HDy% A 73 LEU HA 1.0 1.571 2.723 148 148 A 73 LEU HBx A 73 LEU HA 1.0 1.635 2.949 149 149 A 34 TRP HA A 72 LYS HA 1.0 1.714 3.258 150 150 A 73 LEU H A 72 LYS HA 1.0 1.620 2.894 151 151 A 72 LYS HA A 72 LYS H 1.0 1.804 3.692 152 152 A 72 LYS HA A 72 LYS HB2 1.0 1.767 3.501 153 153 A 72 LYS HA A 72 LYS HG3 1.0 1.848 3.944 154 154 A 72 LYS HB3 A 72 LYS HA 1.0 1.770 3.520 155 155 A 20 SER HA A 20 SER HBy 1.0 1.606 2.842 156 156 A 20 SER HA A 20 SER H 1.0 1.762 3.482 157 157 A 20 SER HA A 21 GLY H 1.0 1.839 3.887 158 158 A 79 ASP HA A 79 ASP HBx 1.0 1.708 3.236 159 159 A 79 ASP HBy A 79 ASP HBx 1.0 1.371 2.143 160 160 A 79 ASP HBy A 80 GLY H 1.0 1.815 3.753 161 161 A 67 TYR HA A 68 PRO HDy 1.0 1.566 2.708 162 162 A 68 PRO HDy A 68 PRO HDx 1.0 1.477 2.431 163 163 A 67 TYR HA A 68 PRO HDx 1.0 1.684 3.138 164 164 A 68 PRO HDy A 68 PRO HGy 1.0 1.824 3.802 165 165 A 68 PRO HDy A 68 PRO HGx 1.0 1.583 2.763 166 166 A 68 PRO HDx A 68 PRO HGy 1.0 1.596 2.808 167 167 A 94 ASP HA A 95 PRO HDx 1.0 1.640 2.966 168 168 A 94 ASP HA A 95 PRO HDy 1.0 1.596 2.808 169 169 A 95 PRO HDx A 95 PRO HDy 1.0 1.567 2.709 170 170 A 108 MET HBy A 78 PRO HDy 1.0 1.968 5.014 171 171 A 95 PRO HBx A 95 PRO HDx 1.0 1.769 3.513 172 172 A 95 PRO HDx A 1 VAL HGy% 1.0 1.844 3.924 173 173 A 101 LEU HBy A 101 LEU HA 1.0 1.771 3.519 174 174 A 101 LEU HA A 101 LEU HG 1.0 1.711 3.247 175 175 A 106 ILE HB A 101 LEU HA 1.0 1.747 3.407 176 176 A 101 LEU HA A 101 LEU HBx 1.0 1.662 3.048 177 177 A 101 LEU HA A 101 LEU HDy% 1.0 1.457 2.375 178 178 A 101 LEU HA A 101 LEU H 1.0 1.729 3.327 179 179 A 106 ILE HB A 101 LEU HBx 1.0 1.723 3.301 180 180 A 101 LEU HBx A 101 LEU HDy% 1.0 1.729 3.327 181 181 A 101 LEU HBx A 101 LEU HDx% 1.0 1.743 3.389 182 182 A 101 LEU HBy A 101 LEU HBx 1.0 1.490 2.468 183 183 A 101 LEU HBy A 101 LEU HDy% 1.0 1.794 8.768 184 184 A 101 LEU HBy A 101 LEU H 1.0 1.716 3.270 185 185 A 101 LEU HBx A 101 LEU H 1.0 1.767 3.503 186 186 A 101 LEU HBy A 102 ALA H 1.0 1.813 3.741 187 187 A 97 LEU HBy A 97 LEU HBx 1.0 1.473 2.421 188 188 A 106 ILE HB A 106 ILE HG1y 1.0 1.676 3.102 189 189 A 106 ILE HB A 106 ILE HG1x 1.0 1.745 3.401 190 190 A 106 ILE HB A 106 ILE HG2% 1.0 1.470 2.414 191 191 A 97 LEU HBx A 97 LEU HDx% 1.0 1.456 2.372 192 192 A 97 LEU HBx A 97 LEU HA 1.0 1.822 3.792 193 193 A 72 LYS HA A 35 LEU H 1.0 1.836 3.876 194 194 A 85 SER HA A 85 SER H 1.0 1.769 3.515 195 195 A 93 LEU HA A 93 LEU HG 1.0 1.761 3.477 196 196 A 35 LEU HA A 42 VAL HA 1.0 1.648 2.996 197 197 A 86 PHE HA A 86 PHE HBy 1.0 1.778 3.556 198 198 A 86 PHE HA A 86 PHE H 1.0 1.816 3.762 199 199 A 87 GLN H A 87 GLN HA 1.0 1.751 3.427 200 200 A 87 GLN HA A 87 GLN HG2 1.0 1.655 3.021 201 201 A 103 HIS HA A 103 HIS HBy 1.0 1.571 2.721 202 202 A 97 LEU HBy A 97 LEU HA 1.0 1.642 2.972 203 203 A 97 LEU HA A 97 LEU HG 1.0 1.733 3.347 204 204 A 97 LEU HA A 97 LEU H 1.0 1.716 3.270 205 205 A 96 HIS H A 95 PRO HA 1.0 1.809 3.719 206 206 A 60 GLU HA A 63 ARG HD2 1.0 1.848 3.942 207 207 A 68 PRO HA A 87 GLN HBy 1.0 1.928 4.546 208 208 A 68 PRO HA A 68 PRO HBx 1.0 1.660 3.040 209 209 A 68 PRO HA A 86 PHE HBx 1.0 1.848 3.946 210 210 A 86 PHE HA A 86 PHE HBx 1.0 1.726 3.314 211 211 A 86 PHE HBy A 86 PHE HBx 1.0 1.541 2.629 212 212 A 87 GLN H A 87 GLN HBx 1.0 1.669 3.077 213 213 A 87 GLN H A 87 GLN HBy 1.0 1.666 3.064 214 214 A 87 GLN HG2 A 87 GLN HBx 1.0 1.810 3.726 215 215 A 87 GLN HA A 87 GLN HBx 1.0 1.718 3.276 216 216 A 87 GLN HG2 A 87 GLN HBy 1.0 1.773 3.529 217 217 A 87 GLN HA A 87 GLN HBy 1.0 1.685 3.143 218 218 A 94 ASP HA A 94 ASP HBy 1.0 1.776 3.548 219 219 A 94 ASP HA A 94 ASP HBx 1.0 1.694 3.176 220 220 A 94 ASP HBy A 94 ASP HBx 1.0 1.448 2.348 221 221 A 94 ASP HBy A 97 LEU HDy% 1.0 1.683 3.133 222 222 A 94 ASP HBy A 93 LEU HDx% 1.0 1.963 4.937 223 223 A 94 ASP HBx A 97 LEU HDy% 1.0 1.691 3.167 224 224 A 94 ASP HBx A 37 LEU HDx% 1.0 1.989 5.397 225 225 A 76 ILE HG1x A 76 ILE H 1.0 1.853 3.979 226 226 A 76 ILE HG1x A 76 ILE HA 1.0 1.808 3.716 227 227 A 76 ILE HG1y A 81 ALA HB% 1.0 1.643 2.975 228 228 A 76 ILE HG1x A 81 ALA HB% 1.0 1.681 3.125 229 229 A 81 ALA HB% A 81 ALA HA 1.0 1.564 2.700 230 230 A 23 LYS HD2 A 23 LYS HGx 1.0 1.533 2.601 231 231 A 76 ILE HG1y A 76 ILE H 1.0 1.740 3.378 232 232 A 76 ILE HG1y A 76 ILE HA 1.0 1.655 3.021 233 233 A 76 ILE HA A 76 ILE HG2% 1.0 1.520 2.558 234 234 A 10 GLN H A 9 THR HA 1.0 1.508 2.524 235 235 A 76 ILE HA A 77 THR H 1.0 1.534 2.606 236 236 A 76 ILE H A 76 ILE HA 1.0 1.783 3.583 237 237 A 76 ILE HA A 81 ALA HA 1.0 1.732 3.340 238 238 A 76 ILE HA A 81 ALA HB% 1.0 1.569 2.717 239 239 A 80 GLY HAy A 80 GLY HAx 1.0 1.355 2.101 240 240 A 80 GLY HAx A 81 ALA H 1.0 1.610 2.856 241 241 A 97 LEU HDx% A 80 GLY HAx 1.0 1.944 4.716 242 242 A 97 LEU HBy A 97 LEU HDx% 1.0 1.631 2.933 243 243 A 84 TYR HBy A 84 TYR HBx 1.0 1.527 2.583 244 244 A 84 TYR HA A 84 TYR HBx 1.0 1.745 3.401 245 245 A 84 TYR HA A 84 TYR HBy 1.0 1.834 3.856 246 246 A 84 TYR HBy A 84 TYR H 1.0 1.877 4.135 247 247 A 84 TYR HBx A 84 TYR H 1.0 1.859 4.017 248 248 A 78 PRO HGx A 78 PRO HA 1.0 1.833 3.855 249 249 A 108 MET HBy A 108 MET HA 1.0 1.639 2.963 250 250 A 108 MET HBy A 108 MET H 1.0 1.775 3.545 251 251 A 108 MET H A 108 MET HBx 1.0 1.817 3.759 252 252 A 93 LEU H A 92 VAL HB 1.0 1.607 2.845 253 253 A 92 VAL HB A 92 VAL HA 1.0 1.647 2.993 254 254 A 92 VAL HB A 92 VAL HGx% 1.0 1.671 3.085 255 255 A 92 VAL HA A 92 VAL HGx% 1.0 1.677 3.111 256 256 A 35 LEU HBy A 35 LEU HA 1.0 1.681 3.125 257 257 A 35 LEU HBx A 35 LEU HA 1.0 1.700 3.202 258 258 A 35 LEU HDy% A 35 LEU HA 1.0 1.673 3.093 259 259 A 42 VAL HGx% A 35 LEU HA 1.0 1.797 3.657 260 260 A 35 LEU HA A 35 LEU HG 1.0 1.824 3.802 261 261 A 91 PRO HA A 92 VAL HGy% 1.0 1.848 3.950 262 262 A 85 SER H A 92 VAL HGy% 1.0 1.834 3.864 263 263 A 92 VAL HA A 92 VAL HGy% 1.0 1.866 4.062 264 264 A 84 TYR HA A 92 VAL HGy% 1.0 1.733 3.347 265 265 A 85 SER HBy A 92 VAL HGy% 1.0 1.779 3.561 266 266 A 85 SER HBx A 92 VAL HGy% 1.0 1.718 3.282 267 267 A 92 VAL HGy% A 83 VAL HB 1.0 1.895 4.273 268 268 A 92 VAL HB A 92 VAL HGy% 1.0 1.657 3.033 269 269 A 92 VAL H A 92 VAL HGy% 1.0 1.588 2.778 270 270 A 85 SER HBy A 92 VAL HGx% 1.0 1.714 3.264 271 271 A 85 SER HBx A 92 VAL HGx% 1.0 1.685 3.143 272 272 A 85 SER HBx A 85 SER H 1.0 1.821 3.787 273 273 A 83 VAL HB A 83 VAL HGx% 1.0 1.657 3.029 274 274 A 71 VAL HA A 71 VAL HGy% 1.0 1.812 3.736 275 275 A 41 SER HA A 41 SER HBx 1.0 1.654 3.018 276 276 A 41 SER HA A 42 VAL H 1.0 1.562 2.694 277 277 A 20 SER HA A 20 SER HBx 1.0 1.637 2.955 278 278 A 73 LEU HDx% A 22 TRP HBy 1.0 1.791 3.619 279 279 A 22 TRP HBy A 33 LEU HDx% 1.0 1.564 2.700 280 280 A 73 LEU HDx% A 22 TRP HBx 1.0 2.000 5.936 281 281 A 22 TRP HBy A 22 TRP HD1 1.0 1.795 3.645 282 282 A 22 TRP HBy A 23 LYS H 1.0 1.785 3.595 283 283 A 22 TRP HBx A 23 LYS H 1.0 1.834 3.862 284 284 A 22 TRP HBx A 22 TRP HD1 1.0 1.901 4.319 285 285 A 23 LYS HA A 33 LEU HDx% 1.0 1.533 2.601 286 286 A 94 ASP H A 93 LEU HB2 1.0 1.945 4.731 287 287 A 93 LEU H A 93 LEU HB2 1.0 1.653 3.015 288 288 A 93 LEU HA A 93 LEU HB2 1.0 1.735 3.353 289 289 A 93 LEU HB2 A 93 LEU HDy% 1.0 1.657 3.033 290 290 A 93 LEU HB2 A 1 VAL HA 1.0 1.546 2.644 291 291 A 1 VAL HA A 1 VAL HB 1.0 1.704 3.218 292 292 A 26 ARG HGy A 26 ARG HA 1.0 1.771 3.521 293 293 A 93 LEU HG A 1 VAL HA 1.0 1.901 4.319 294 294 A 93 LEU HG A 93 LEU H 1.0 1.935 4.625 295 295 A 93 LEU HA A 93 LEU HDx% 1.0 1.812 3.732 296 296 A 93 LEU HA A 93 LEU HDy% 1.0 1.941 4.685 297 297 A 73 LEU HDy% A 76 ILE HD1% 1.0 1.679 3.115 298 298 A 73 LEU HDy% A 73 LEU HBy 1.0 1.627 2.917 299 299 A 73 LEU HDy% A 75 THR H 1.0 1.990 5.454 300 300 A 73 LEU HDy% A 73 LEU H 1.0 1.874 4.114 301 301 A 73 LEU HDy% A 74 GLY H 1.0 1.871 4.097 302 302 A 95 PRO HA A 95 PRO HGy 1.0 1.666 3.064 303 303 A 95 PRO HBx A 95 PRO HA 1.0 1.640 2.966 304 304 A 95 PRO HBy A 95 PRO HA 1.0 1.516 2.550 305 305 A 1 VAL HGy% A 95 PRO HA 1.0 1.979 5.199 306 306 A 105 GLY HAx A 105 GLY HAy 1.0 1.316 2.006 307 307 A 105 GLY HAy A 105 GLY H 1.0 1.593 2.801 308 308 A 60 GLU HBx A 57 HIS HA 1.0 1.926 4.538 309 309 A 60 GLU HA A 60 GLU HBy 1.0 1.646 2.986 310 310 A 60 GLU HA A 60 GLU HBx 1.0 1.643 2.979 311 311 A 57 HIS HA A 60 GLU HBy 1.0 1.571 2.725 312 312 A 57 HIS HA A 57 HIS HBx 1.0 1.651 3.007 313 313 A 60 GLU HGy A 57 HIS HA 1.0 1.827 3.821 314 314 A 42 VAL HA A 42 VAL HB 1.0 1.735 3.353 315 315 A 43 LEU H A 42 VAL HA 1.0 1.582 2.758 316 316 A 6 ASN HA A 6 ASN HB2 1.0 1.595 2.805 317 317 A 12 ASP HBy A 12 ASP HBx 1.0 1.498 2.494 318 318 A 13 ASN HBy A 13 ASN HBx 1.0 1.448 2.350 319 319 A 13 ASN HBy A 13 ASN HA 1.0 1.729 3.327 320 320 A 13 ASN HBx A 13 ASN HA 1.0 1.758 3.458 321 321 A 7 ASN HBy A 7 ASN HA 1.0 1.558 2.680 322 322 A 13 ASN HBy A 15 VAL HGx% 1.0 1.984 5.302 323 323 A 11 LEU HG A 13 ASN HBx 1.0 1.928 4.546 324 324 A 7 ASN HA A 7 ASN HBx 1.0 1.782 3.574 325 325 A 7 ASN HBy A 7 ASN HBx 1.0 1.345 2.077 326 326 A 107 ASP HA A 107 ASP HBx 1.0 1.706 3.224 327 327 A 107 ASP HA A 107 ASP HBy 1.0 1.804 3.694 328 328 A 108 MET HA A 107 ASP HBx 1.0 1.970 5.058 329 329 A 108 MET HA A 108 MET HBx 1.0 1.677 3.107 330 330 A 76 ILE HG2% A 108 MET HA 1.0 1.948 4.764 331 331 A 108 MET H A 108 MET HA 1.0 1.718 3.276 332 332 A 37 LEU HDy% A 37 LEU HA 1.0 1.455 2.371 333 333 A 42 VAL HGx% A 42 VAL HA 1.0 1.629 2.927 334 334 A 10 GLN HBy A 10 GLN HBx 1.0 1.414 2.254 335 335 A 10 GLN HBy A 10 GLN HA 1.0 1.752 3.430 336 336 A 10 GLN HBx A 10 GLN HA 1.0 1.653 3.015 337 337 A 10 GLN H A 10 GLN HBy 1.0 1.712 3.252 338 338 A 10 GLN H A 10 GLN HBx 1.0 1.831 3.847 339 339 A 109 LEU HA A 109 LEU HBy 1.0 1.729 3.327 340 340 A 109 LEU HBx A 109 LEU HDx% 1.0 1.593 2.801 341 341 A 109 LEU HBx A 109 LEU HBy 1.0 1.414 2.256 342 342 A 109 LEU HBy A 109 LEU HDx% 1.0 1.505 2.513 343 343 A 109 LEU HBx A 109 LEU H 1.0 1.784 3.588 344 344 A 109 LEU HA A 109 LEU HG 1.0 1.817 3.761 345 345 A 109 LEU H A 109 LEU HG 1.0 1.703 3.213 346 346 A 109 LEU HBx A 109 LEU HG 1.0 1.652 3.010 347 347 A 109 LEU HG A 109 LEU HDy% 1.0 1.453 2.363 348 348 A 109 LEU HA A 109 LEU HDx% 1.0 1.928 4.546 349 349 A 109 LEU HDx% A 109 LEU HG 1.0 1.798 3.658 350 350 A 109 LEU HA A 109 LEU HDy% 1.0 1.593 2.799 351 351 A 110 HIS HBy A 110 HIS HA 1.0 1.639 2.963 352 352 A 110 HIS HA A 110 HIS HBx 1.0 1.708 3.236 353 353 A 110 HIS HBy A 110 HIS HBx 1.0 1.377 2.157 354 354 A 110 HIS HBy A 110 HIS H 1.0 1.809 3.717 355 355 A 110 HIS HBx A 110 HIS H 1.0 1.758 3.460 356 356 A 103 HIS HBy A 103 HIS HBx 1.0 1.537 2.615 357 357 A 103 HIS HA A 103 HIS HBx 1.0 1.639 2.963 358 358 A 103 HIS HBx A 103 HIS H 1.0 1.694 3.176 359 359 A 111 MET HA A 111 MET HGy 1.0 1.843 3.917 360 360 A 111 MET HA A 111 MET HBy 1.0 1.761 3.473 361 361 A 111 MET HA A 111 MET HBx 1.0 1.963 4.951 362 362 A 99 LYS H A 99 LYS HBy 1.0 1.617 2.883 363 363 A 74 GLY HAy A 74 GLY HAx 1.0 1.393 2.199 364 364 A 74 GLY H A 74 GLY HAy 1.0 1.673 3.093 365 365 A 101 LEU HDy% A 97 LEU HA 1.0 1.989 5.431 366 366 A 114 THR HG2% A 114 THR HB 1.0 1.666 3.064 367 367 A 114 THR HG2% A 114 THR H 1.0 1.561 2.691 368 368 A 106 ILE HA A 106 ILE HG1x 1.0 1.729 3.327 369 369 A 106 ILE HA A 106 ILE HG2% 1.0 1.627 2.917 370 370 A 106 ILE HA A 107 ASP H 1.0 1.588 2.780 371 371 A 106 ILE HG1y A 106 ILE HG2% 1.0 1.855 3.989 372 372 A 106 ILE HG2% A 108 MET HA 1.0 1.884 4.192 373 373 A 106 ILE HG2% A 107 ASP H 1.0 1.791 3.621 374 374 A 108 MET H A 106 ILE HG2% 1.0 1.890 4.232 375 375 A 15 VAL HA A 16 ARG HBx 1.0 1.902 4.324 376 376 A 37 LEU HDy% A 37 LEU HBy 1.0 1.700 3.202 377 377 A 37 LEU HBy A 37 LEU HBx 1.0 1.546 2.640 378 378 A 37 LEU HDx% A 37 LEU HBx 1.0 1.517 2.551 379 379 A 8 LEU HDx% A 37 LEU HBy 1.0 1.953 4.825 380 380 A 8 LEU HDx% A 8 LEU HG 1.0 1.725 3.307 381 381 A 8 LEU HDx% A 8 LEU HA 1.0 1.985 5.313 382 382 A 8 LEU HDx% A 9 THR H 1.0 1.886 4.210 383 383 A 37 LEU HA A 37 LEU HBx 1.0 1.657 3.033 384 384 A 37 LEU HBy A 37 LEU H 1.0 1.748 3.412 385 385 A 35 LEU HBy A 35 LEU HDx% 1.0 1.704 3.218 386 386 A 35 LEU HBy A 35 LEU HDy% 1.0 1.858 4.008 387 387 A 35 LEU HBy A 35 LEU HBx 1.0 1.467 2.403 388 388 A 35 LEU HBy A 35 LEU H 1.0 1.699 3.197 389 389 A 35 LEU HBx A 35 LEU HDx% 1.0 1.610 2.856 390 390 A 35 LEU HBx A 35 LEU HDy% 1.0 1.718 3.282 391 391 A 22 TRP H A 21 GLY HAy 1.0 1.849 3.955 392 392 A 22 TRP H A 21 GLY HAx 1.0 1.817 3.759 393 393 A 66 GLY HAx A 66 GLY H 1.0 1.663 3.053 394 394 A 21 GLY HAy A 21 GLY HAx 1.0 1.516 2.550 395 395 A 21 GLY H A 21 GLY HAy 1.0 1.843 3.919 396 396 A 66 GLY HAy A 66 GLY H 1.0 1.555 2.669 397 397 A 40 GLY HAy A 40 GLY H 1.0 1.670 3.080 398 398 A 23 LYS HA A 23 LYS HB2 1.0 1.532 2.596 399 399 A 23 LYS H A 23 LYS HB2 1.0 1.755 3.443 400 400 A 23 LYS HA A 23 LYS HGx 1.0 1.741 3.383 401 401 A 23 LYS HA A 23 LYS HGy 1.0 1.782 3.576 402 402 A 23 LYS HGy A 23 LYS HE2 1.0 1.834 3.864 403 403 A 23 LYS HGx A 23 LYS HE2 1.0 1.763 3.483 404 404 A 23 LYS HGx A 23 LYS HGy 1.0 1.439 2.325 405 405 A 23 LYS HB2 A 23 LYS HGy 1.0 1.578 2.748 406 406 A 23 LYS HGx A 23 LYS HB2 1.0 1.670 3.080 407 407 A 30 ARG HGy A 30 ARG HD2 1.0 1.657 3.033 408 408 A 30 ARG HGy A 30 ARG HA 1.0 1.690 3.162 409 409 A 30 ARG HA A 30 ARG HGx 1.0 1.673 3.093 410 410 A 30 ARG HGx A 30 ARG HBy 1.0 1.681 3.125 411 411 A 30 ARG HGy A 30 ARG HBy 1.0 1.762 3.478 412 412 A 88 GLU HA A 88 GLU HBy 1.0 1.697 3.187 413 413 A 88 GLU HBx A 88 GLU HA 1.0 1.634 2.946 414 414 A 85 SER HBy A 88 GLU HBy 1.0 1.981 5.235 415 415 A 88 GLU HBx A 88 GLU HBy 1.0 1.518 2.556 416 416 A 3 LYS HB2 A 3 LYS HE2 1.0 1.980 5.226 417 417 A 3 LYS HB2 A 3 LYS HGy 1.0 1.478 2.434 418 418 A 3 LYS HB2 A 3 LYS HGx 1.0 1.627 2.921 419 419 A 3 LYS HB2 A 3 LYS H 1.0 1.859 4.015 420 420 A 31 GLU HBx A 31 GLU HA 1.0 1.739 3.373 421 421 A 68 PRO HA A 68 PRO HBy 1.0 1.657 3.029 422 422 A 31 GLU HA A 31 GLU HBy 1.0 1.811 3.729 423 423 A 32 ASN H A 31 GLU HBy 1.0 1.787 3.599 424 424 A 31 GLU HBx A 31 GLU H 1.0 1.847 3.941 425 425 A 83 VAL HA A 83 VAL HGx% 1.0 1.830 3.838 426 426 A 29 LEU HDy% A 29 LEU HG 1.0 1.549 2.651 427 427 A 29 LEU HDx% A 54 GLY HAx 1.0 1.716 3.270 428 428 A 29 LEU HDx% A 29 LEU HG 1.0 1.671 3.085 429 429 A 29 LEU HDx% A 29 LEU HBy 1.0 1.671 3.085 430 430 A 5 ALA HB% A 5 ALA HA 1.0 1.542 2.632 431 431 A 5 ALA HB% A 95 PRO HDy 1.0 1.824 3.806 432 432 A 5 ALA HA A 5 ALA H 1.0 1.765 3.497 433 433 A 5 ALA HB% A 5 ALA H 1.0 1.664 3.056 434 434 A 38 THR HG2% A 38 THR HA 1.0 1.690 3.162 435 435 A 10 GLN HA A 38 THR HG2% 1.0 1.896 4.282 436 436 A 38 THR HG2% A 11 LEU HBx 1.0 1.660 3.040 437 437 A 39 ASP HBx A 38 THR HG2% 1.0 1.765 3.493 438 438 A 38 THR HG2% A 11 LEU H 1.0 1.821 3.783 439 439 A 71 VAL HB A 71 VAL HGy% 1.0 1.632 2.936 440 440 A 71 VAL HB A 71 VAL HA 1.0 1.708 3.236 441 441 A 70 ALA HB% A 71 VAL H 1.0 1.689 3.157 442 442 A 70 ALA HB% A 36 ASN HA 1.0 1.711 3.247 443 443 A 59 LEU HA A 59 LEU HDy% 1.0 1.816 3.754 444 444 A 73 LEU HDx% A 42 VAL HGx% 1.0 1.546 2.640 445 445 A 73 LEU HDx% A 73 LEU HBy 1.0 1.841 3.905 446 446 A 42 VAL HA A 42 VAL HGy% 1.0 1.665 3.061 447 447 A 73 LEU HDx% A 42 VAL HGy% 1.0 1.636 2.952 448 448 A 33 LEU HBy A 33 LEU HDy% 1.0 1.828 3.822 449 449 A 71 VAL HB A 35 LEU HDx% 1.0 1.690 3.162 450 450 A 98 ALA H A 98 ALA HB% 1.0 1.555 2.669 451 451 A 102 ALA H A 102 ALA HB% 1.0 1.556 2.674 452 452 A 103 HIS H A 102 ALA HB% 1.0 1.731 3.333 453 453 A 102 ALA HB% A 102 ALA HA 1.0 1.685 3.143 454 454 A 99 LYS HBy A 99 LYS HA 1.0 1.512 2.534 455 455 A 102 ALA HB% A 99 LYS HA 1.0 1.540 2.622 456 456 A 26 ARG HGx A 26 ARG HD2 1.0 1.696 3.182 457 457 A 26 ARG HGy A 26 ARG H 1.0 1.874 4.118 458 458 A 26 ARG HGx A 26 ARG H 1.0 1.978 5.180 459 459 A 35 LEU HDy% A 37 LEU H 1.0 1.990 5.442 460 460 A 17 ILE HA A 17 ILE HG2% 1.0 1.661 3.045 461 461 A 17 ILE HG2% A 18 PRO HDx 1.0 1.736 3.360 462 462 A 9 THR H A 9 THR HB 1.0 1.683 3.129 463 463 A 26 ARG HA A 26 ARG HD2 1.0 1.698 3.192 464 464 A 26 ARG HA A 26 ARG HBx 1.0 1.668 3.072 465 465 A 26 ARG HA A 26 ARG HGx 1.0 1.767 3.503 466 466 A 26 ARG HA A 26 ARG H 1.0 1.718 3.276 467 467 A 65 MET HGy A 65 MET HA 1.0 1.612 2.864 468 468 A 65 MET HBx A 65 MET HA 1.0 1.631 2.933 469 469 A 29 LEU HG A 29 LEU HBy 1.0 1.591 2.791 470 470 A 29 LEU HBy A 27 CYS HBy 1.0 1.839 3.897 471 471 A 38 THR HB A 67 TYR HA 1.0 1.990 5.466 472 472 A 43 LEU HA A 43 LEU HDy% 1.0 1.629 2.927 473 473 A 43 LEU HA A 43 LEU HBx 1.0 1.588 2.778 474 474 A 43 LEU HA A 43 LEU HDx% 1.0 1.978 5.172 475 475 A 43 LEU HA A 43 LEU HG 1.0 1.805 3.695 476 476 A 72 LYS HD2 A 72 LYS HEy 1.0 1.634 2.942 477 477 A 72 LYS HEy A 72 LYS HB2 1.0 1.963 4.957 478 478 A 72 LYS HEx A 72 LYS HG3 1.0 1.802 3.680 479 479 A 72 LYS HEy A 72 LYS HG2 1.0 1.689 3.157 480 480 A 30 ARG HD2 A 30 ARG HA 1.0 1.941 4.685 481 481 A 30 ARG HD2 A 30 ARG HBy 1.0 1.670 3.080 482 482 A 30 ARG HD2 A 30 ARG HBx 1.0 1.580 2.754 483 483 A 30 ARG HD2 A 30 ARG H 1.0 1.848 3.948 484 484 A 30 ARG HD2 A 30 ARG HGx 1.0 1.449 2.353 485 485 A 96 HIS HBx A 96 HIS HBy 1.0 1.472 2.416 486 486 A 96 HIS HBy A 96 HIS HA 1.0 1.691 3.167 487 487 A 96 HIS HBx A 96 HIS HA 1.0 1.732 3.340 488 488 A 26 ARG HBx A 26 ARG HBy 1.0 1.456 2.370 489 489 A 26 ARG HGy A 26 ARG HBx 1.0 1.660 3.040 490 490 A 26 ARG HA A 26 ARG HBy 1.0 1.700 3.202 491 491 A 72 LYS HB3 A 72 LYS HB2 1.0 1.615 2.875 492 492 A 10 GLN HGx A 10 GLN HGy 1.0 1.491 2.473 493 493 A 10 GLN HGx A 10 GLN HBy 1.0 1.764 3.486 494 494 A 10 GLN HGx A 10 GLN HBx 1.0 1.633 2.939 495 495 A 10 GLN HGy A 10 GLN HBx 1.0 1.669 3.077 496 496 A 10 GLN HGy A 10 GLN HBy 1.0 1.774 3.536 497 497 A 10 GLN HGy A 10 GLN HA 1.0 1.855 3.993 498 498 A 10 GLN HGx A 10 GLN HA 1.0 1.953 4.819 499 499 A 10 GLN HGy A 10 GLN H 1.0 1.855 3.995 500 500 A 10 GLN HGx A 10 GLN H 1.0 1.704 3.218 501 501 A 78 PRO HDx A 78 PRO HGy 1.0 1.707 3.229 502 502 A 78 PRO HDx A 78 PRO HGx 1.0 1.736 3.358 503 503 A 78 PRO HDy A 78 PRO HGy 1.0 1.586 2.776 504 504 A 78 PRO HDy A 78 PRO HGx 1.0 1.708 3.236 505 505 A 78 PRO HBy A 78 PRO HGy 1.0 1.601 2.825 506 506 A 78 PRO HGy A 78 PRO HBx 1.0 1.666 3.064 507 507 A 78 PRO HBy A 78 PRO HGx 1.0 1.746 3.404 508 508 A 16 ARG HGy A 16 ARG HD2 1.0 1.703 3.213 509 509 A 16 ARG HGy A 16 ARG HA 1.0 1.706 3.224 510 510 A 16 ARG HA A 16 ARG HGx 1.0 1.885 4.195 511 511 A 39 ASP HA A 11 LEU HG 1.0 1.802 3.680 512 512 A 29 LEU HG A 29 LEU HBx 1.0 1.718 3.276 513 513 A 29 LEU HBy A 29 LEU HBx 1.0 1.435 2.315 514 514 A 29 LEU HDy% A 29 LEU HBx 1.0 1.633 2.939 515 515 A 29 LEU HDy% A 29 LEU HBy 1.0 1.780 3.568 516 516 A 29 LEU HBx A 29 LEU HA 1.0 1.542 2.630 517 517 A 26 ARG HD2 A 43 LEU HDy% 1.0 1.980 5.226 518 518 A 43 LEU HDy% A 57 HIS HBy 1.0 1.918 4.460 519 519 A 24 CYS HA A 43 LEU HDy% 1.0 1.789 3.617 520 520 A 25 ALA H A 43 LEU HDy% 1.0 1.744 3.396 521 521 A 42 VAL H A 43 LEU HDy% 1.0 1.916 4.442 522 522 A 26 ARG H A 43 LEU HDy% 1.0 1.907 4.363 523 523 A 32 ASN HA A 72 LYS HG2 1.0 1.989 5.419 524 524 A 97 LEU HDx% A 97 LEU HG 1.0 1.532 2.596 525 525 A 97 LEU HDx% A 97 LEU HA 1.0 1.963 4.937 526 526 A 97 LEU HDx% A 81 ALA H 1.0 1.977 5.163 527 527 A 73 LEU HDy% A 73 LEU HG 1.0 1.731 3.333 528 528 A 73 LEU HDx% A 73 LEU HG 1.0 1.755 3.441 529 529 A 83 VAL HB A 83 VAL HGy% 1.0 1.666 3.064 530 530 A 83 VAL HA A 83 VAL HGy% 1.0 1.807 3.705 531 531 A 9 THR HB A 9 THR HG2% 1.0 1.571 2.723 532 532 A 10 GLN H A 9 THR HG2% 1.0 1.726 3.314 533 533 A 77 THR HA A 77 THR HG2% 1.0 1.848 3.942 534 534 A 77 THR HB A 77 THR HG2% 1.0 1.552 2.664 535 535 A 75 THR HA A 75 THR HG2% 1.0 1.750 3.422 536 536 A 75 THR HG2% A 75 THR H 1.0 1.764 3.486 537 537 A 43 LEU HDy% A 43 LEU HG 1.0 1.785 3.593 538 538 A 8 LEU HG A 8 LEU HDy% 1.0 1.647 2.989 539 539 A 43 LEU HDy% A 43 LEU HBy 1.0 1.872 4.104 540 540 A 41 SER HBx A 43 LEU HDy% 1.0 1.896 4.282 541 541 A 57 HIS HBx A 43 LEU HDy% 1.0 1.726 3.314 542 542 A 57 HIS HBx A 57 HIS HBy 1.0 1.520 2.562 543 543 A 43 LEU HBy A 58 ALA HA 1.0 1.900 4.312 544 544 A 57 HIS HBx A 43 LEU HBx 1.0 1.842 3.910 545 545 A 43 LEU HBx A 43 LEU HBy 1.0 1.510 2.532 546 546 A 43 LEU HG A 43 LEU HBy 1.0 1.735 3.353 547 547 A 43 LEU HDy% A 43 LEU HBx 1.0 1.738 3.368 548 548 A 43 LEU HBx A 43 LEU HG 1.0 1.704 3.218 549 549 A 43 LEU HBx A 43 LEU HDx% 1.0 1.840 3.892 550 550 A 43 LEU HBx A 58 ALA HA 1.0 1.936 4.638 551 551 A 98 ALA HA A 98 ALA HB% 1.0 1.637 2.955 552 552 A 69 LEU HDy% A 4 TYR HBx 1.0 1.949 4.769 553 553 A 4 TYR HBy A 4 TYR H 1.0 1.861 4.027 554 554 A 11 LEU HG A 11 LEU HBx 1.0 1.652 3.010 555 555 A 97 LEU HA A 97 LEU HDy% 1.0 1.419 2.267 556 556 A 97 LEU HG A 97 LEU HDy% 1.0 1.476 2.430 557 557 A 97 LEU HBy A 97 LEU HDy% 1.0 1.739 3.369 558 558 A 15 VAL HGx% A 15 VAL H 1.0 1.597 2.813 559 559 A 11 LEU HD1% A 11 LEU HA 1.0 1.746 3.404 560 560 A 11 LEU HD1% A 11 LEU HBy 1.0 1.827 3.821 561 561 A 15 VAL HGy% A 15 VAL HB 1.0 1.525 2.577 562 562 A 68 PRO HBx A 69 LEU HDx% 1.0 1.973 5.105 563 563 A 69 LEU HG A 69 LEU HDx% 1.0 1.627 2.917 564 564 A 72 LYS HG2 A 82 ASP HBy 1.0 1.914 4.424 565 565 A 72 LYS HEx A 72 LYS HG2 1.0 1.674 3.098 566 566 A 72 LYS HA A 72 LYS HG2 1.0 1.625 2.909 567 567 A 72 LYS HEy A 72 LYS HG3 1.0 1.677 3.111 568 568 A 72 LYS HG3 A 72 LYS HG2 1.0 1.513 2.539 569 569 A 73 LEU HDx% A 33 LEU HDx% 1.0 1.867 4.067 570 570 A 106 ILE HB A 101 LEU HDx% 1.0 1.936 4.634 571 571 A 101 LEU HDx% A 108 MET HG2 1.0 1.943 4.711 572 572 A 19 PRO HGy A 19 PRO HD2 1.0 1.633 2.939 573 573 A 19 PRO HD2 A 19 PRO HGx 1.0 1.552 2.660 574 574 A 19 PRO HA A 19 PRO HBx 1.0 1.673 3.093 575 575 A 19 PRO HA A 19 PRO HBy 1.0 1.571 2.723 576 576 A 19 PRO HBx A 19 PRO HBy 1.0 1.272 1.902 577 577 A 17 ILE HG1y A 17 ILE HB 1.0 1.614 2.872 578 578 A 17 ILE HB A 17 ILE HG2% 1.0 1.681 3.125 579 579 A 17 ILE HB A 17 ILE HG1x 1.0 1.681 3.125 580 580 A 17 ILE HA A 17 ILE HB 1.0 1.733 3.347 581 581 A 17 ILE HB A 17 ILE H 1.0 1.674 3.098 582 582 A 30 ARG HA A 30 ARG HBx 1.0 1.714 3.258 583 583 A 30 ARG HA A 30 ARG HBy 1.0 1.609 2.853 584 584 A 42 VAL HGx% A 42 VAL HB 1.0 1.684 3.138 585 585 A 42 VAL HB A 42 VAL HGy% 1.0 1.683 3.133 586 586 A 41 SER HA A 42 VAL HB 1.0 1.968 5.014 587 587 A 42 VAL H A 42 VAL HB 1.0 1.642 2.972 588 588 A 90 GLU HBx A 90 GLU HBy 1.0 1.404 2.228 589 589 A 109 LEU HDy% A 78 PRO HBx 1.0 1.773 3.531 590 590 A 78 PRO HBy A 78 PRO HBx 1.0 1.398 2.214 591 591 A 90 GLU HBx A 91 PRO HDx 1.0 1.700 3.202 592 592 A 90 GLU HBx A 90 GLU HA 1.0 1.743 3.387 593 593 A 90 GLU HBy A 90 GLU HA 1.0 1.733 3.347 594 594 A 18 PRO HBx A 18 PRO HA 1.0 1.684 3.138 595 595 A 19 PRO HD2 A 18 PRO HBx 1.0 1.740 3.372 596 596 A 19 PRO HD2 A 18 PRO HBy 1.0 1.643 2.975 597 597 A 18 PRO HDy A 18 PRO HBy 1.0 1.860 4.022 598 598 A 18 PRO HDy A 18 PRO HBx 1.0 1.861 4.027 599 599 A 18 PRO HA A 18 PRO HBy 1.0 1.608 2.850 600 600 A 15 VAL H A 15 VAL HB 1.0 1.547 2.647 601 601 A 16 ARG HA A 16 ARG HBy 1.0 1.677 3.107 602 602 A 16 ARG HBx A 16 ARG HA 1.0 1.946 4.736 603 603 A 16 ARG HBy A 16 ARG H 1.0 1.726 3.314 604 604 A 99 LYS HA A 99 LYS HBx 1.0 1.636 2.952 605 605 A 100 HIS H A 99 LYS HBy 1.0 1.803 3.683 606 606 A 63 ARG H A 63 ARG HGx 1.0 1.875 4.123 607 607 A 63 ARG HD2 A 63 ARG HGx 1.0 1.608 2.850 608 608 A 63 ARG HD2 A 63 ARG HGy 1.0 1.858 4.012 609 609 A 63 ARG H A 63 ARG HGy 1.0 1.916 4.438 610 610 A 63 ARG HGx A 63 ARG HGy 1.0 1.399 2.215 611 611 A 101 LEU HBy A 101 LEU HDx% 1.0 1.535 2.609 612 612 A 1 VAL HA A 1 VAL HGx% 1.0 1.769 3.511 613 613 A 1 VAL HGy% A 1 VAL HA 1.0 1.657 3.029 614 614 A 95 PRO HDy A 1 VAL HGy% 1.0 1.644 2.982 615 615 A 1 VAL HGy% A 1 VAL HB 1.0 1.492 2.476 616 616 A 101 LEU HG A 101 LEU HDy% 1.0 1.482 2.446 617 617 A 33 LEU HDy% A 29 LEU HBy 1.0 1.824 3.800 618 618 A 99 LYS HE2 A 99 LYS HDy 1.0 1.538 2.616 619 619 A 16 ARG HD2 A 16 ARG HA 1.0 1.641 2.969 620 620 A 39 ASP HBy A 39 ASP H 1.0 1.890 4.232 621 621 A 64 ASP HB2 A 64 ASP HA 1.0 1.636 2.952 622 622 A 64 ASP HA A 64 ASP H 1.0 1.708 3.236 623 623 A 18 PRO HDy A 20 SER H 1.0 1.992 5.490 624 624 A 20 SER H A 18 PRO HDx 1.0 1.969 5.035 625 625 A 17 ILE HA A 18 PRO HDy 1.0 1.471 2.413 626 626 A 17 ILE HA A 18 PRO HDx 1.0 1.600 2.820 627 627 A 18 PRO HDy A 18 PRO HGy 1.0 1.537 2.615 628 628 A 18 PRO HDy A 18 PRO HGx 1.0 1.662 3.048 629 629 A 18 PRO HDy A 17 ILE HG2% 1.0 1.677 3.107 630 630 A 90 GLU HA A 91 PRO HDy 1.0 1.557 2.677 631 631 A 77 THR HA A 78 PRO HDy 1.0 1.818 3.768 632 632 A 91 PRO HDx A 90 GLU HA 1.0 1.684 3.138 633 633 A 90 GLU HBx A 91 PRO HDy 1.0 1.716 3.270 634 634 A 17 ILE HD1% A 18 PRO HDx 1.0 1.911 4.403 635 635 A 77 THR HB A 78 PRO HDy 1.0 1.894 4.268 636 636 A 77 THR HA A 78 PRO HDx 1.0 1.839 3.897 637 637 A 78 PRO HDx A 77 THR HG2% 1.0 1.758 3.460 638 638 A 19 PRO HD2 A 18 PRO HA 1.0 1.725 3.307 639 639 A 19 PRO HD2 A 19 PRO HBx 1.0 1.743 3.389 640 640 A 18 PRO HDx A 18 PRO HGy 1.0 1.602 2.828 641 641 A 18 PRO HDx A 18 PRO HGx 1.0 1.647 2.989 642 642 A 18 PRO HA A 18 PRO HGy 1.0 1.859 4.019 643 643 A 17 ILE HA A 18 PRO HGy 1.0 1.877 4.137 644 644 A 18 PRO HA A 18 PRO HGx 1.0 1.933 4.601 645 645 A 18 PRO HBy A 18 PRO HGy 1.0 1.589 2.785 646 646 A 20 SER H A 18 PRO HGx 1.0 1.714 3.258 647 647 A 58 ALA H A 58 ALA HB% 1.0 1.676 3.102 648 648 A 89 GLU HA A 89 GLU HB2 1.0 1.640 2.966 649 649 A 23 LYS H A 22 TRP HA 1.0 1.500 2.502 650 650 A 22 TRP H A 22 TRP HA 1.0 1.697 3.187 651 651 A 11 LEU HBx A 11 LEU HBy 1.0 1.398 2.212 652 652 A 11 LEU HG A 11 LEU HBy 1.0 1.513 2.541 653 653 A 11 LEU H A 11 LEU HBy 1.0 1.706 3.224 654 654 A 29 LEU HBy A 29 LEU H 1.0 1.663 3.053 655 655 A 29 LEU HBy A 30 ARG H 1.0 1.880 4.164 656 656 A 30 ARG H A 29 LEU HBx 1.0 1.789 3.615 657 657 A 76 ILE HB A 76 ILE HG2% 1.0 1.735 3.353 658 658 A 76 ILE HG2% A 108 MET HG2 1.0 1.935 4.619 659 659 A 76 ILE HD1% A 76 ILE HG1y 1.0 1.449 2.353 660 660 A 25 ALA HB% A 25 ALA HA 1.0 1.573 2.729 661 661 A 25 ALA HB% A 25 ALA H 1.0 1.591 2.791 662 662 A 25 ALA HB% A 26 ARG H 1.0 1.753 3.437 663 663 A 25 ALA HB% A 42 VAL H 1.0 1.935 4.629 664 664 A 33 LEU HBy A 33 LEU HDx% 1.0 1.622 2.900 665 665 A 108 MET HA A 108 MET HG2 1.0 1.569 2.717 666 666 A 108 MET HBx A 109 LEU HDy% 1.0 1.605 2.841 667 667 A 78 PRO HA A 109 LEU HDy% 1.0 1.751 3.427 668 668 A 78 PRO HBy A 78 PRO HA 1.0 1.531 2.593 669 669 A 78 PRO HA A 78 PRO HBx 1.0 1.665 3.061 670 670 A 78 PRO HA A 78 PRO HGy 1.0 1.847 3.939 671 671 A 78 PRO HA A 79 ASP H 1.0 1.848 3.950 672 672 A 102 ALA H A 99 LYS HA 1.0 1.832 3.848 673 673 A 55 ASN HBx A 55 ASN HA 1.0 1.746 3.406 674 674 A 55 ASN HBx A 55 ASN HBy 1.0 1.527 2.583 675 675 A 55 ASN HA A 55 ASN HBy 1.0 1.816 3.762 676 676 A 4 TYR HBy A 4 TYR HA 1.0 1.654 3.018 677 677 A 4 TYR HA A 4 TYR HD2 1.0 1.802 3.680 678 678 A 4 TYR HA A 5 ALA H 1.0 1.739 3.369 679 679 A 2 SER HBy A 2 SER HA 1.0 1.592 2.796 680 680 A 2 SER HA A 2 SER HBx 1.0 1.803 3.683 681 681 A 88 GLU HBx A 85 SER HBy 1.0 1.575 2.735 682 682 A 88 GLU HBx A 85 SER HBx 1.0 1.848 3.948 683 683 A 85 SER HBy A 85 SER HBx 1.0 1.623 2.903 684 684 A 95 PRO HDy A 95 PRO HGy 1.0 1.706 3.224 685 685 A 95 PRO HDy A 95 PRO HGx 1.0 1.642 2.972 686 686 A 95 PRO HDx A 95 PRO HGy 1.0 1.663 3.053 687 687 A 95 PRO HDx A 95 PRO HGx 1.0 1.633 2.939 688 688 A 95 PRO HA A 95 PRO HGx 1.0 1.895 4.277 689 689 A 95 PRO HBx A 95 PRO HGy 1.0 1.760 3.466 690 690 A 95 PRO HBx A 95 PRO HGx 1.0 1.670 3.080 691 691 A 1 VAL HGy% A 95 PRO HGy 1.0 1.769 3.511 692 692 A 1 VAL HGy% A 95 PRO HGx 1.0 1.761 3.471 693 693 A 29 LEU HG A 29 LEU H 1.0 1.677 3.111 694 694 A 31 GLU H A 31 GLU HG2 1.0 1.936 4.634 695 695 A 31 GLU HA A 31 GLU HG2 1.0 1.697 3.187 696 696 A 31 GLU HBy A 31 GLU HG2 1.0 1.509 2.529 697 697 A 31 GLU HBx A 31 GLU HG2 1.0 1.760 3.470 698 698 A 108 MET HBy A 108 MET HG2 1.0 1.733 3.347 699 699 A 108 MET HBx A 108 MET HG2 1.0 1.916 4.442 700 700 A 15 VAL HA A 15 VAL HGx% 1.0 1.809 3.719 701 701 A 15 VAL HGx% A 16 ARG H 1.0 1.980 5.226 702 702 A 15 VAL HGy% A 15 VAL H 1.0 1.926 4.530 703 703 A 15 VAL HGy% A 16 ARG H 1.0 1.735 3.353 704 704 A 71 VAL HA A 83 VAL HGx% 1.0 1.967 5.007 705 705 A 83 VAL HGx% A 83 VAL H 1.0 1.878 4.144 706 706 A 29 LEU HDy% A 30 ARG H 1.0 1.746 3.406 707 707 A 26 ARG HD2 A 26 ARG HBy 1.0 1.562 2.692 708 708 A 26 ARG HD2 A 26 ARG HBx 1.0 1.833 3.855 709 709 A 26 ARG HGy A 26 ARG HD2 1.0 1.499 2.497 710 710 A 3 LYS HE2 A 3 LYS HD2 1.0 1.636 2.952 711 711 A 3 LYS HE2 A 3 LYS HGx 1.0 1.781 3.571 712 712 A 33 LEU HBy A 33 LEU HG 1.0 1.643 2.979 713 713 A 33 LEU HBx A 33 LEU HBy 1.0 1.485 2.457 714 714 A 8 LEU HDx% A 8 LEU HBy 1.0 1.828 3.830 715 715 A 8 LEU HDx% A 8 LEU HBx 1.0 1.595 2.805 716 716 A 8 LEU HDy% A 8 LEU HBy 1.0 1.824 3.802 717 717 A 8 LEU HBy A 8 LEU HBx 1.0 1.451 2.359 718 718 A 8 LEU HA A 8 LEU HBx 1.0 1.761 3.473 719 719 A 8 LEU HBx A 8 LEU H 1.0 1.784 3.590 720 720 A 8 LEU HBy A 8 LEU H 1.0 1.745 3.399 721 721 A 59 LEU HBy A 59 LEU HBx 1.0 1.512 2.538 722 722 A 59 LEU HA A 59 LEU HBx 1.0 1.702 3.208 723 723 A 59 LEU HBy A 60 GLU H 1.0 1.789 3.617 724 724 A 9 THR HA A 9 THR HG2% 1.0 1.585 2.769 725 725 A 93 LEU H A 1 VAL HA 1.0 1.677 3.111 726 726 A 1 VAL HA A 2 SER H 1.0 1.536 2.612 727 727 A 114 THR H A 113 GLY HA3 1.0 1.796 3.648 728 728 A 112 HIS HBx A 112 HIS HA 1.0 1.733 3.347 729 729 A 112 HIS HA A 112 HIS HBy 1.0 1.738 3.366 730 730 A 100 HIS HA A 100 HIS HBy 1.0 1.799 3.665 731 731 A 101 LEU H A 100 HIS HBy 1.0 1.835 3.869 732 732 A 100 HIS HBx A 101 LEU H 1.0 1.882 4.174 733 733 A 16 ARG HGy A 17 ILE H 1.0 1.850 3.958 734 734 A 17 ILE HG1y A 15 VAL HA 1.0 1.982 5.264 735 735 A 77 THR HA A 76 ILE HG2% 1.0 1.960 4.910 736 736 A 62 TYR HA A 62 TYR H 1.0 1.825 3.813 737 737 A 62 TYR HA A 66 GLY H 1.0 1.828 3.828 738 738 A 1 VAL HB A 1 VAL HGx% 1.0 1.655 3.021 739 739 A 1 VAL HGx% A 2 SER HA 1.0 1.975 5.129 740 740 A 94 ASP HA A 1 VAL HGy% 1.0 1.942 4.696 741 741 A 3 LYS H A 3 LYS HA 1.0 1.788 3.610 742 742 A 3 LYS HB2 A 3 LYS HA 1.0 1.520 2.560 743 743 A 3 LYS HGy A 3 LYS HA 1.0 1.820 3.778 744 744 A 3 LYS HGx A 3 LYS HA 1.0 1.838 3.886 745 745 A 88 GLU HBx A 88 GLU H 1.0 1.748 3.414 746 746 A 3 LYS HE2 A 3 LYS HGy 1.0 1.711 3.247 747 747 A 4 TYR HBy A 4 TYR HD2 1.0 1.671 3.085 748 748 A 4 TYR HBx A 4 TYR HD2 1.0 1.857 4.007 749 749 A 76 ILE HD1% A 76 ILE HG1x 1.0 1.726 3.314 750 750 A 5 ALA HB% A 95 PRO HDx 1.0 1.830 3.836 751 751 A 8 LEU HA A 9 THR H 1.0 1.577 2.743 752 752 A 8 LEU HG A 8 LEU HA 1.0 1.784 3.590 753 753 A 8 LEU HA A 8 LEU HBy 1.0 1.562 2.694 754 754 A 8 LEU HDy% A 8 LEU HBx 1.0 1.806 3.698 755 755 A 8 LEU HDx% A 8 LEU HDy% 1.0 1.521 2.565 756 756 A 37 LEU HDy% A 36 ASN HA 1.0 1.778 3.552 757 757 A 67 TYR HA A 69 LEU HBy 1.0 1.988 5.408 758 758 A 100 HIS HA A 37 LEU HDx% 1.0 1.962 4.944 759 759 A 9 THR H A 8 LEU HDy% 1.0 1.943 4.701 760 760 A 9 THR HA A 10 GLN HA 1.0 1.967 4.999 761 761 A 9 THR HA A 9 THR HB 1.0 1.706 3.224 762 762 A 11 LEU HBx A 11 LEU HA 1.0 1.617 2.883 763 763 A 11 LEU HA A 11 LEU HBy 1.0 1.752 3.428 764 764 A 11 LEU HBx A 11 LEU HD1% 1.0 1.738 3.366 765 765 A 11 LEU H A 11 LEU HD1% 1.0 1.988 5.408 766 766 A 38 THR HG2% A 11 LEU HD1% 1.0 1.989 5.419 767 767 A 11 LEU HG A 11 LEU H 1.0 1.963 4.957 768 768 A 12 ASP HA A 13 ASN H 1.0 1.595 2.803 769 769 A 12 ASP HBx A 12 ASP H 1.0 1.900 4.312 770 770 A 14 GLY HAx A 14 GLY HAy 1.0 1.397 2.211 771 771 A 14 GLY HAx A 14 GLY H 1.0 1.714 3.264 772 772 A 14 GLY HAy A 14 GLY H 1.0 1.677 3.111 773 773 A 15 VAL HA A 15 VAL H 1.0 1.743 3.391 774 774 A 15 VAL HA A 16 ARG H 1.0 1.468 2.406 775 775 A 15 VAL HGx% A 15 VAL HB 1.0 1.419 2.269 776 776 A 15 VAL HA A 15 VAL HB 1.0 1.731 3.333 777 777 A 17 ILE HG1y A 15 VAL HGy% 1.0 1.736 3.360 778 778 A 16 ARG HD2 A 16 ARG HGx 1.0 1.764 3.488 779 779 A 17 ILE HD1% A 15 VAL HA 1.0 1.977 5.163 780 780 A 17 ILE HD1% A 17 ILE H 1.0 1.779 3.563 781 781 A 17 ILE HD1% A 40 GLY HAy 1.0 1.897 4.285 782 782 A 17 ILE HD1% A 40 GLY HAx 1.0 1.995 6.385 783 783 A 17 ILE HG1y A 17 ILE HG1x 1.0 1.497 2.493 784 784 A 17 ILE HD1% A 17 ILE HG1x 1.0 1.664 3.056 785 785 A 17 ILE HD1% A 17 ILE HG2% 1.0 1.457 2.373 786 786 A 17 ILE HG1y A 17 ILE HG2% 1.0 1.900 4.306 787 787 A 18 PRO HBy A 18 PRO HGx 1.0 1.495 2.487 788 788 A 18 PRO HBx A 18 PRO HGx 1.0 1.772 3.528 789 789 A 20 SER H A 18 PRO HBx 1.0 1.903 4.337 790 790 A 18 PRO HBx A 18 PRO HBy 1.0 1.341 2.067 791 791 A 19 PRO HGy A 19 PRO HA 1.0 1.813 3.739 792 792 A 19 PRO HGx A 19 PRO HA 1.0 1.919 4.471 793 793 A 20 SER HA A 22 TRP H 1.0 1.913 4.413 794 794 A 22 TRP HBy A 22 TRP HA 1.0 1.589 2.787 795 795 A 22 TRP HBx A 22 TRP HA 1.0 1.691 3.167 796 796 A 33 LEU HDx% A 22 TRP HA 1.0 1.923 4.509 797 797 A 23 LYS HD2 A 23 LYS HE2 1.0 1.634 2.946 798 798 A 23 LYS HD2 A 28 ASP HA 1.0 1.700 3.202 799 799 A 23 LYS HE2 A 30 ARG HGx 1.0 1.771 3.521 800 800 A 23 LYS HB2 A 23 LYS HE2 1.0 1.459 2.379 801 801 A 23 LYS HE2 A 30 ARG HA 1.0 1.564 2.698 802 802 A 24 CYS HA A 24 CYS H 1.0 1.720 3.288 803 803 A 24 CYS HA A 25 ALA H 1.0 1.569 2.719 804 804 A 24 CYS HBy A 24 CYS H 1.0 1.778 3.556 805 805 A 24 CYS HBy A 27 CYS H 1.0 1.972 5.074 806 806 A 24 CYS HBx A 24 CYS H 1.0 1.703 3.213 807 807 A 24 CYS HBx A 27 CYS H 1.0 1.990 5.466 808 808 A 105 GLY H A 102 ALA HA 1.0 1.818 3.766 809 809 A 102 ALA HA A 106 ILE H 1.0 1.847 3.937 810 810 A 25 ALA HB% A 43 LEU HDy% 1.0 1.517 2.553 811 811 A 25 ALA HB% A 43 LEU HA 1.0 1.955 4.843 812 812 A 27 CYS HBx A 27 CYS HA 1.0 1.694 3.176 813 813 A 27 CYS HBy A 27 CYS HA 1.0 1.689 3.157 814 814 A 28 ASP HA A 28 ASP HBy 1.0 1.553 2.667 815 815 A 28 ASP HA A 28 ASP HBx 1.0 1.698 3.192 816 816 A 28 ASP HBy A 28 ASP H 1.0 1.864 4.056 817 817 A 29 LEU HG A 29 LEU HA 1.0 1.676 3.102 818 818 A 29 LEU HBy A 29 LEU HA 1.0 1.711 3.247 819 819 A 29 LEU HDy% A 29 LEU HA 1.0 1.550 2.656 820 820 A 29 LEU HDx% A 29 LEU HA 1.0 1.930 4.576 821 821 A 31 GLU H A 29 LEU HA 1.0 1.839 3.887 822 822 A 30 ARG H A 29 LEU HA 1.0 1.504 2.512 823 823 A 29 LEU HA A 29 LEU H 1.0 1.720 3.288 824 824 A 30 ARG HA A 29 LEU HA 1.0 1.973 5.097 825 825 A 33 LEU HDy% A 29 LEU HBx 1.0 1.902 4.328 826 826 A 29 LEU HDx% A 45 GLY H 1.0 1.924 4.518 827 827 A 29 LEU HDx% A 29 LEU H 1.0 1.861 4.029 828 828 A 29 LEU HDx% A 29 LEU HBx 1.0 1.714 3.258 829 829 A 30 ARG HGx A 29 LEU HDy% 1.0 1.900 4.312 830 830 A 30 ARG HBy A 30 ARG HBx 1.0 1.396 2.208 831 831 A 30 ARG HBx A 30 ARG H 1.0 1.714 3.258 832 832 A 32 ASN H A 32 ASN HBx 1.0 1.916 4.442 833 833 A 33 LEU HA A 34 TRP H 1.0 1.711 3.247 834 834 A 33 LEU HBy A 33 LEU H 1.0 1.763 3.485 835 835 A 33 LEU HBy A 33 LEU HA 1.0 1.782 3.574 836 836 A 33 LEU HBx A 33 LEU HA 1.0 1.796 3.646 837 837 A 33 LEU HBx A 33 LEU HG 1.0 1.631 2.933 838 838 A 41 SER HBx A 43 LEU HDx% 1.0 1.759 3.465 839 839 A 43 LEU HDx% A 58 ALA HA 1.0 1.756 3.446 840 840 A 73 LEU HBy A 33 LEU HDx% 1.0 1.918 4.460 841 841 A 33 LEU HDx% A 31 GLU H 1.0 1.976 5.138 842 842 A 43 LEU H A 43 LEU HDx% 1.0 1.979 5.207 843 843 A 33 LEU HDx% A 22 TRP HD1 1.0 1.990 5.442 844 844 A 33 LEU HDx% A 33 LEU HG 1.0 1.890 4.234 845 845 A 43 LEU HDx% A 43 LEU HBy 1.0 1.805 3.699 846 846 A 33 LEU HDx% A 22 TRP HBx 1.0 1.810 3.724 847 847 A 44 CYS HBx A 33 LEU HDx% 1.0 1.992 5.478 848 848 A 33 LEU HDy% A 43 LEU HA 1.0 1.936 4.634 849 849 A 33 LEU HDy% A 44 CYS H 1.0 1.906 4.366 850 850 A 33 LEU H A 33 LEU HDy% 1.0 1.905 4.347 851 851 A 33 LEU HDy% A 24 CYS H 1.0 1.723 3.301 852 852 A 33 LEU HDy% A 33 LEU HG 1.0 1.516 2.548 853 853 A 33 LEU HDy% A 33 LEU HDx% 1.0 1.800 3.668 854 854 A 33 LEU H A 33 LEU HG 1.0 1.684 3.138 855 855 A 34 TRP HB2 A 34 TRP HD1 1.0 1.628 2.924 856 856 A 35 LEU HA A 36 ASN H 1.0 1.618 2.886 857 857 A 85 SER HA A 86 PHE H 1.0 1.640 2.966 858 858 A 35 LEU HDy% A 35 LEU HG 1.0 1.468 2.406 859 859 A 35 LEU HG A 35 LEU HDx% 1.0 1.743 3.389 860 860 A 36 ASN HBy A 36 ASN H 1.0 1.742 3.384 861 861 A 36 ASN HBx A 36 ASN H 1.0 1.824 3.804 862 862 A 36 ASN HBx A 42 VAL H 1.0 1.965 4.971 863 863 A 37 LEU HA A 37 LEU H 1.0 1.700 3.202 864 864 A 37 LEU HA A 37 LEU HG 1.0 1.846 3.934 865 865 A 37 LEU HDx% A 37 LEU HA 1.0 1.690 3.162 866 866 A 37 LEU HA A 37 LEU HBy 1.0 1.684 3.138 867 867 A 8 LEU HDx% A 37 LEU HBx 1.0 1.939 4.667 868 868 A 37 LEU HDx% A 100 HIS HBy 1.0 1.879 4.159 869 869 A 100 HIS HBx A 37 LEU HDx% 1.0 1.805 3.693 870 870 A 36 ASN HA A 37 LEU HDx% 1.0 1.974 6.936 871 871 A 38 THR H A 37 LEU HDy% 1.0 1.916 4.442 872 872 A 37 LEU HDx% A 37 LEU HG 1.0 1.855 3.993 873 873 A 37 LEU HDx% A 37 LEU HBy 1.0 1.830 3.836 874 874 A 37 LEU HDy% A 100 HIS HBy 1.0 1.977 5.163 875 875 A 106 ILE HB A 101 LEU HDy% 1.0 1.824 3.802 876 876 A 70 ALA HA A 37 LEU HG 1.0 1.907 4.363 877 877 A 37 LEU H A 37 LEU HG 1.0 1.894 4.266 878 878 A 37 LEU HDy% A 37 LEU HG 1.0 1.690 3.162 879 879 A 38 THR HB A 38 THR HG2% 1.0 1.589 2.787 880 880 A 67 TYR HBy A 38 THR HG2% 1.0 1.980 5.216 881 881 A 39 ASP HBy A 38 THR HG2% 1.0 1.876 4.128 882 882 A 38 THR HG2% A 9 THR HB 1.0 1.996 5.620 883 883 A 11 LEU HG A 38 THR HG2% 1.0 1.847 3.941 884 884 A 41 SER HBx A 42 VAL H 1.0 1.833 3.853 885 885 A 41 SER HBx A 43 LEU HG 1.0 1.809 3.721 886 886 A 43 LEU HDx% A 41 SER HBy 1.0 1.953 4.819 887 887 A 42 VAL HGx% A 43 LEU H 1.0 1.707 3.229 888 888 A 42 VAL HGx% A 23 LYS H 1.0 1.814 3.746 889 889 A 42 VAL HGx% A 34 TRP H 1.0 1.928 4.546 890 890 A 34 TRP HA A 42 VAL HGx% 1.0 1.955 4.849 891 891 A 42 VAL HGx% A 22 TRP HBy 1.0 1.841 3.905 892 892 A 42 VAL HGx% A 22 TRP HBx 1.0 1.937 4.643 893 893 A 33 LEU HBy A 42 VAL HGx% 1.0 1.990 5.442 894 894 A 35 LEU HA A 42 VAL HGy% 1.0 1.652 3.010 895 895 A 23 LYS H A 42 VAL HGy% 1.0 1.943 4.705 896 896 A 35 LEU HDy% A 42 VAL HGy% 1.0 1.770 3.518 897 897 A 43 LEU H A 43 LEU HBy 1.0 1.887 4.213 898 898 A 43 LEU HDy% A 43 LEU HDx% 1.0 1.799 3.669 899 899 A 106 ILE HA A 106 ILE HG1y 1.0 1.659 3.037 900 900 A 44 CYS HBy A 45 GLY H 1.0 1.919 4.467 901 901 A 44 CYS HBx A 44 CYS H 1.0 1.766 3.496 902 902 A 44 CYS HBx A 45 GLY H 1.0 1.890 4.232 903 903 A 58 ALA HA A 61 HIS HBy 1.0 1.738 3.368 904 904 A 59 LEU HBy A 59 LEU HDx% 1.0 1.841 3.903 905 905 A 59 LEU HDy% A 59 LEU HG 1.0 1.806 3.698 906 906 A 59 LEU HBy A 59 LEU HDy% 1.0 1.864 4.052 907 907 A 59 LEU HA A 59 LEU HG 1.0 1.834 3.858 908 908 A 60 GLU HA A 60 GLU H 1.0 1.747 3.407 909 909 A 60 GLU HA A 63 ARG H 1.0 1.828 3.830 910 910 A 60 GLU HBy A 60 GLU H 1.0 1.628 2.924 911 911 A 60 GLU HGy A 60 GLU H 1.0 1.770 3.518 912 912 A 60 GLU HGx A 60 GLU H 1.0 1.778 3.556 913 913 A 61 HIS HA A 61 HIS H 1.0 1.725 3.307 914 914 A 61 HIS HA A 64 ASP H 1.0 1.831 3.843 915 915 A 61 HIS HBy A 61 HIS H 1.0 1.642 2.972 916 916 A 61 HIS HA A 61 HIS HBy 1.0 1.962 4.944 917 917 A 43 LEU HDx% A 61 HIS HBy 1.0 1.634 2.946 918 918 A 61 HIS HBx A 43 LEU HDx% 1.0 1.767 3.501 919 919 A 62 TYR HBy A 62 TYR H 1.0 1.700 3.202 920 920 A 63 ARG H A 63 ARG HA 1.0 1.731 3.333 921 921 A 63 ARG HD2 A 63 ARG HA 1.0 1.922 4.498 922 922 A 63 ARG HGy A 63 ARG HA 1.0 1.469 2.407 923 923 A 63 ARG HB2 A 63 ARG HA 1.0 1.907 4.363 924 924 A 63 ARG HGx A 63 ARG HA 1.0 1.684 3.138 925 925 A 64 ASP HB2 A 64 ASP H 1.0 1.624 2.906 926 926 A 68 PRO HBx A 68 PRO HBy 1.0 1.409 2.241 927 927 A 69 LEU HA A 69 LEU HBy 1.0 1.770 3.516 928 928 A 69 LEU H A 69 LEU HBy 1.0 1.795 3.641 929 929 A 69 LEU HDx% A 69 LEU HBy 1.0 1.592 2.796 930 930 A 69 LEU HDy% A 69 LEU HBy 1.0 1.809 3.721 931 931 A 69 LEU HG A 69 LEU HBx 1.0 1.690 3.162 932 932 A 69 LEU HBx A 69 LEU HBy 1.0 1.497 2.489 933 933 A 69 LEU HBx A 69 LEU HDx% 1.0 1.763 3.481 934 934 A 69 LEU HBx A 69 LEU HDy% 1.0 1.602 2.828 935 935 A 37 LEU H A 69 LEU HDx% 1.0 1.993 5.553 936 936 A 67 TYR HA A 69 LEU HDx% 1.0 1.989 5.419 937 937 A 69 LEU HDy% A 85 SER HA 1.0 1.714 3.258 938 938 A 69 LEU HDy% A 85 SER HBy 1.0 1.864 4.052 939 939 A 69 LEU HDy% A 85 SER HBx 1.0 1.780 3.564 940 940 A 93 LEU HG A 93 LEU HDy% 1.0 1.569 2.715 941 941 A 70 ALA HA A 71 VAL H 1.0 1.609 2.853 942 942 A 70 ALA HA A 37 LEU H 1.0 1.795 3.643 943 943 A 70 ALA HA A 70 ALA H 1.0 1.896 4.282 944 944 A 70 ALA HB% A 71 VAL HA 1.0 1.978 5.180 945 945 A 71 VAL HA A 72 LYS H 1.0 1.613 2.867 946 946 A 71 VAL HA A 71 VAL HGx% 1.0 1.866 4.058 947 947 A 71 VAL H A 71 VAL HGx% 1.0 1.896 4.282 948 948 A 83 VAL HA A 71 VAL HGx% 1.0 1.990 5.454 949 949 A 71 VAL HB A 71 VAL HGx% 1.0 1.771 3.519 950 950 A 93 LEU H A 92 VAL HGx% 1.0 1.943 4.705 951 951 A 71 VAL HGy% A 71 VAL H 1.0 1.965 4.971 952 952 A 35 LEU H A 71 VAL HGy% 1.0 1.992 5.510 953 953 A 72 LYS HD2 A 72 LYS HEx 1.0 1.643 2.979 954 954 A 72 LYS HD2 A 72 LYS HG3 1.0 1.879 4.157 955 955 A 72 LYS HD2 A 72 LYS HG2 1.0 1.767 3.503 956 956 A 73 LEU HDx% A 73 LEU H 1.0 1.893 4.251 957 957 A 73 LEU HDx% A 73 LEU HA 1.0 1.972 5.074 958 958 A 73 LEU HDy% A 73 LEU HDx% 1.0 1.834 3.862 959 959 A 73 LEU HDy% A 35 LEU HDx% 1.0 1.833 3.853 960 960 A 73 LEU HDy% A 35 LEU H 1.0 1.909 4.389 961 961 A 74 GLY H A 74 GLY HAx 1.0 1.757 3.453 962 962 A 75 THR HB A 82 ASP H 1.0 1.777 3.553 963 963 A 75 THR HG2% A 72 LYS HEx 1.0 1.798 3.656 964 964 A 76 ILE HB A 76 ILE HA 1.0 1.833 3.853 965 965 A 76 ILE HG1y A 76 ILE HG1x 1.0 1.561 2.691 966 966 A 76 ILE HA A 77 THR HG2% 1.0 1.978 5.172 967 967 A 78 PRO HDy A 77 THR HG2% 1.0 1.887 4.215 968 968 A 97 LEU HDx% A 80 GLY HAy 1.0 1.756 3.450 969 969 A 81 ALA HB% A 77 THR H 1.0 1.786 3.598 970 970 A 81 ALA HB% A 81 ALA H 1.0 1.757 3.453 971 971 A 82 ASP HBy A 82 ASP HA 1.0 1.823 3.797 972 972 A 82 ASP HBy A 82 ASP H 1.0 1.716 3.270 973 973 A 82 ASP HBy A 82 ASP HBx 1.0 1.540 2.624 974 974 A 72 LYS HB2 A 82 ASP HBy 1.0 1.751 3.423 975 975 A 83 VAL HB A 83 VAL H 1.0 1.709 3.241 976 976 A 83 VAL HA A 83 VAL HB 1.0 1.664 3.056 977 977 A 85 SER H A 84 TYR HBy 1.0 1.822 3.792 978 978 A 86 PHE HBy A 86 PHE HD1 1.0 1.941 4.685 979 979 A 86 PHE HBx A 86 PHE HD1 1.0 1.687 3.147 980 980 A 89 GLU H A 88 GLU HBy 1.0 1.892 4.248 981 981 A 89 GLU HA A 89 GLU HGx 1.0 1.656 3.026 982 982 A 90 GLU HGx A 90 GLU H 1.0 1.920 4.486 983 983 A 92 VAL HGx% A 92 VAL HGy% 1.0 1.480 2.440 984 984 A 92 VAL HA A 93 LEU HB2 1.0 1.924 4.522 985 985 A 93 LEU HG A 93 LEU HDx% 1.0 1.659 3.037 986 986 A 94 ASP H A 94 ASP HBx 1.0 1.779 3.559 987 987 A 99 LYS HBx A 99 LYS HGx 1.0 1.841 3.907 988 988 A 99 LYS HA A 99 LYS HGy 1.0 1.889 4.229 989 989 A 100 HIS HBx A 100 HIS HBy 1.0 1.646 2.986 990 990 A 100 HIS HBx A 97 LEU HA 1.0 1.799 3.667 991 991 A 97 LEU HA A 100 HIS HBy 1.0 1.935 4.625 992 992 A 100 HIS HBx A 101 LEU HDy% 1.0 1.819 3.775 993 993 A 106 ILE HB A 104 PHE HBx 1.0 1.815 3.751 994 994 A 104 PHE HBy A 101 LEU HBy 1.0 1.980 5.216 995 995 A 104 PHE HBx A 106 ILE HG1x 1.0 1.589 2.787 996 996 A 106 ILE HD1% A 104 PHE HBx 1.0 1.998 5.720 997 997 A 106 ILE HD1% A 106 ILE H 1.0 1.856 3.996 998 998 A 106 ILE HD1% A 101 LEU HA 1.0 1.953 4.825 999 999 A 106 ILE HD1% A 106 ILE HG1x 1.0 1.482 2.446 1000 1000 A 106 ILE HG2% A 107 ASP HBx 1.0 1.992 5.478 1001 1001 A 107 ASP HBx A 107 ASP HBy 1.0 1.336 2.056 1002 1002 A 107 ASP HBy A 107 ASP H 1.0 1.716 3.270 1003 1003 A 108 MET HBy A 109 LEU HDy% 1.0 1.741 3.379 1004 1004 A 109 LEU HDy% A 113 GLY H 1.0 1.894 4.268 1005 1005 A 57 HIS HBx A 43 LEU HDx% 1.0 1.971 5.065 1006 1006 A 98 ALA HA A 101 LEU HBy 1.0 1.602 2.828 1007 1007 A 61 HIS HBx A 58 ALA HA 1.0 1.627 2.917 1008 1008 A 100 HIS HA A 103 HIS HBx 1.0 1.822 3.792 1009 1009 A 100 HIS HA A 103 HIS HBy 1.0 1.955 4.843 1010 1010 A 27 CYS HBy A 54 GLY H 1.0 1.635 2.949 1011 1011 A 27 CYS HBx A 54 GLY H 1.0 1.668 3.072 1012 1012 A 29 LEU HDx% A 54 GLY HAy 1.0 1.647 2.993 1013 1013 A 96 HIS H A 96 HIS HBy 1.0 1.859 4.019 1014 1014 A 96 HIS H A 96 HIS HBx 1.0 1.777 3.549 1015 1015 A 72 LYS HB3 A 72 LYS H 1.0 1.862 4.038 1016 1016 A 85 SER HA A 90 GLU H 1.0 1.991 5.453 1017 1017 A 34 TRP HA A 73 LEU H 1.0 1.821 3.785 1018 1018 A 35 LEU H A 71 VAL H 1.0 1.814 3.748 1019 1019 A 36 ASN HA A 71 VAL H 1.0 1.948 4.762 1020 1020 A 70 ALA H A 84 TYR H 1.0 1.883 4.183 1021 1021 A 83 VAL HA A 72 LYS H 1.0 1.958 4.886 1022 1022 A 71 VAL HA A 84 TYR H 1.0 1.840 3.900 1023 1023 A 69 LEU HA A 86 PHE H 1.0 1.952 4.804 1024 1024 A 85 SER HA A 70 ALA H 1.0 1.899 4.297 1025 1025 A 81 ALA HA A 81 ALA H 1.0 1.806 3.700 1026 1026 A 84 TYR HA A 85 SER H 1.0 1.706 3.226 1027 1027 A 94 ASP H A 93 LEU H 1.0 1.959 4.895 1028 1028 A 43 LEU H A 34 TRP H 1.0 1.840 3.900 1029 1029 A 44 CYS HA A 34 TRP H 1.0 1.925 4.519 1030 1030 A 43 LEU H A 35 LEU HA 1.0 1.925 4.525 1031 1031 A 38 THR H A 41 SER H 1.0 1.952 4.804 1032 1032 A 42 VAL HA A 36 ASN H 1.0 1.959 4.895 1033 1033 A 31 GLU H A 30 ARG H 1.0 1.664 3.058 1034 1034 A 32 ASN H A 33 LEU H 1.0 1.848 3.948 1035 1035 A 94 ASP H A 93 LEU HA 1.0 1.592 2.794 1036 1036 A 94 ASP HA A 96 HIS H 1.0 1.948 4.762 1037 1037 A 96 HIS H A 96 HIS HA 1.0 1.791 3.625 1038 1038 A 97 LEU H A 96 HIS H 1.0 1.683 3.131 1039 1039 A 85 SER HBy A 85 SER H 1.0 1.814 3.750 1040 1040 A 85 SER H A 84 TYR HBx 1.0 1.958 4.886 1041 1041 A 93 LEU H A 92 VAL HA 1.0 1.627 2.919 1042 1042 A 93 LEU HA A 93 LEU H 1.0 1.774 3.536 1043 1043 A 89 GLU H A 90 GLU H 1.0 1.802 3.678 1044 1044 A 60 GLU HBx A 60 GLU H 1.0 1.816 3.756 1045 1045 A 59 LEU HBx A 60 GLU H 1.0 1.697 3.189 1046 1046 A 60 GLU H A 59 LEU HG 1.0 1.765 3.489 1047 1047 A 55 ASN HA A 56 GLY H 1.0 1.954 4.830 1048 1048 A 80 GLY H A 77 THR H 1.0 1.864 4.048 1049 1049 A 23 LYS HB2 A 24 CYS H 1.0 1.877 4.137 1050 1050 A 25 ALA H A 26 ARG H 1.0 1.808 3.710 1051 1051 A 63 ARG H A 64 ASP H 1.0 1.809 3.721 1052 1052 A 99 LYS H A 100 HIS H 1.0 1.624 2.906 1053 1053 A 66 GLY H A 65 MET HA 1.0 1.967 5.017 1054 1054 A 65 MET HBy A 66 GLY H 1.0 1.945 4.721 1055 1055 A 66 GLY H A 65 MET H 1.0 1.763 3.481 1056 1056 A 55 ASN HBy A 27 CYS H 1.0 1.849 3.957 1057 1057 A 1 VAL HGy% A 2 SER H 1.0 1.738 3.370 1058 1058 A 92 VAL HGy% A 2 SER H 1.0 1.977 5.155 1059 1059 A 93 LEU HB2 A 2 SER H 1.0 1.887 4.215 1060 1060 A 92 VAL HB A 2 SER H 1.0 1.949 4.769 1061 1061 A 2 SER HBy A 2 SER H 1.0 1.806 3.700 1062 1062 A 3 LYS HGy A 3 LYS H 1.0 1.975 5.133 1063 1063 A 3 LYS H A 4 TYR H 1.0 1.865 4.057 1064 1064 A 5 ALA H A 4 TYR H 1.0 1.810 3.726 1065 1065 A 4 TYR H A 4 TYR HD2 1.0 1.818 3.768 1066 1066 A 4 TYR HA A 4 TYR H 1.0 1.846 3.932 1067 1067 A 4 TYR H A 3 LYS HA 1.0 1.835 3.869 1068 1068 A 4 TYR HBx A 4 TYR H 1.0 1.816 3.756 1069 1069 A 3 LYS HB2 A 4 TYR H 1.0 1.894 4.266 1070 1070 A 6 ASN HA A 6 ASN H 1.0 1.884 4.190 1071 1071 A 6 ASN HB2 A 6 ASN H 1.0 1.743 3.391 1072 1072 A 5 ALA HB% A 6 ASN H 1.0 1.933 4.603 1073 1073 A 6 ASN HA A 7 ASN H 1.0 1.857 4.003 1074 1074 A 6 ASN HA A 8 LEU H 1.0 1.971 5.061 1075 1075 A 8 LEU HA A 8 LEU H 1.0 1.975 5.125 1076 1076 A 42 VAL H A 42 VAL HGy% 1.0 1.803 3.687 1077 1077 A 9 THR H A 9 THR HG2% 1.0 1.942 4.698 1078 1078 A 9 THR HA A 9 THR H 1.0 1.694 3.176 1079 1079 A 10 GLN H A 9 THR HB 1.0 1.874 4.112 1080 1080 A 11 LEU H A 11 LEU HA 1.0 1.861 4.029 1081 1081 A 39 ASP H A 11 LEU H 1.0 1.954 4.830 1082 1082 A 11 LEU HBx A 11 LEU H 1.0 1.687 3.149 1083 1083 A 11 LEU HA A 12 ASP H 1.0 1.857 4.003 1084 1084 A 12 ASP HBy A 12 ASP H 1.0 1.968 5.022 1085 1085 A 13 ASN H A 14 GLY H 1.0 1.753 3.439 1086 1086 A 13 ASN HBy A 13 ASN H 1.0 1.875 4.123 1087 1087 A 13 ASN HBx A 13 ASN H 1.0 1.812 3.734 1088 1088 A 15 VAL H A 14 GLY H 1.0 1.828 3.826 1089 1089 A 12 ASP HA A 14 GLY H 1.0 1.966 4.990 1090 1090 A 13 ASN HBx A 14 GLY H 1.0 1.989 5.411 1091 1091 A 15 VAL H A 16 ARG H 1.0 1.971 5.067 1092 1092 A 16 ARG HA A 16 ARG H 1.0 1.827 3.821 1093 1093 A 16 ARG HD2 A 16 ARG H 1.0 1.996 5.656 1094 1094 A 15 VAL HB A 16 ARG H 1.0 1.979 5.211 1095 1095 A 16 ARG HBx A 16 ARG H 1.0 1.694 3.174 1096 1096 A 17 ILE HG1y A 17 ILE H 1.0 1.684 3.138 1097 1097 A 17 ILE HG2% A 17 ILE H 1.0 1.957 4.877 1098 1098 A 20 SER H A 18 PRO HA 1.0 1.985 5.327 1099 1099 A 20 SER H A 19 PRO HD2 1.0 1.810 3.724 1100 1100 A 20 SER HBy A 20 SER H 1.0 1.833 3.855 1101 1101 A 20 SER H A 18 PRO HBy 1.0 1.916 4.444 1102 1102 A 20 SER H A 18 PRO HGy 1.0 1.929 4.563 1103 1103 A 20 SER H A 19 PRO HBx 1.0 1.794 3.638 1104 1104 A 105 GLY H A 104 PHE H 1.0 1.737 3.363 1105 1105 A 104 PHE HA A 105 GLY H 1.0 1.921 4.489 1106 1106 A 105 GLY HAx A 105 GLY H 1.0 1.701 3.203 1107 1107 A 22 TRP HBy A 22 TRP H 1.0 1.864 4.048 1108 1108 A 22 TRP HBx A 22 TRP H 1.0 1.769 3.513 1109 1109 A 33 LEU HDx% A 22 TRP H 1.0 1.988 5.396 1110 1110 A 22 TRP HD1 A 22 TRP H 1.0 1.901 4.325 1111 1111 A 23 LYS H A 23 LYS HGy 1.0 1.968 5.010 1112 1112 A 33 LEU HDx% A 23 LYS H 1.0 1.799 3.667 1113 1113 A 23 LYS HGx A 23 LYS H 1.0 1.984 5.310 1114 1114 A 38 THR H A 37 LEU H 1.0 1.803 3.687 1115 1115 A 23 LYS HGy A 24 CYS H 1.0 1.776 3.546 1116 1116 A 24 CYS HBy A 25 ALA H 1.0 1.934 4.610 1117 1117 A 26 ARG H A 26 ARG HBx 1.0 1.765 3.493 1118 1118 A 26 ARG H A 26 ARG HBy 1.0 1.626 2.914 1119 1119 A 26 ARG H A 27 CYS H 1.0 1.684 3.136 1120 1120 A 27 CYS H A 28 ASP H 1.0 1.931 4.583 1121 1121 A 27 CYS H A 27 CYS HA 1.0 1.880 4.160 1122 1122 A 26 ARG HA A 27 CYS H 1.0 1.798 3.660 1123 1123 A 27 CYS HBy A 27 CYS H 1.0 1.824 3.804 1124 1124 A 27 CYS H A 27 CYS HBx 1.0 1.935 4.631 1125 1125 A 26 ARG HBx A 27 CYS H 1.0 1.927 4.545 1126 1126 A 26 ARG HBy A 27 CYS H 1.0 1.853 3.983 1127 1127 A 27 CYS HA A 28 ASP H 1.0 1.792 3.628 1128 1128 A 28 ASP HA A 28 ASP H 1.0 1.729 3.325 1129 1129 A 28 ASP HBx A 28 ASP H 1.0 1.679 3.117 1130 1130 A 27 CYS HBy A 28 ASP H 1.0 1.634 2.944 1131 1131 A 27 CYS HBx A 28 ASP H 1.0 1.722 3.294 1132 1132 A 29 LEU H A 28 ASP H 1.0 1.810 3.726 1133 1133 A 35 LEU H A 34 TRP H 1.0 1.988 5.380 1134 1134 A 29 LEU H A 28 ASP HA 1.0 1.901 4.325 1135 1135 A 27 CYS HBy A 29 LEU H 1.0 1.828 3.826 1136 1136 A 29 LEU H A 28 ASP HBy 1.0 1.926 4.532 1137 1137 A 29 LEU HDy% A 29 LEU H 1.0 1.887 4.207 1138 1138 A 29 LEU HBx A 29 LEU H 1.0 1.835 3.865 1139 1139 A 33 LEU HDy% A 29 LEU H 1.0 1.988 6.624 1140 1140 A 30 ARG HA A 30 ARG H 1.0 1.830 3.836 1141 1141 A 30 ARG HBy A 30 ARG H 1.0 1.859 4.017 1142 1142 A 30 ARG HGy A 30 ARG H 1.0 1.803 3.683 1143 1143 A 31 GLU HA A 31 GLU H 1.0 1.692 3.168 1144 1144 A 31 GLU H A 29 LEU HBx 1.0 1.760 3.470 1145 1145 A 31 GLU H A 29 LEU HDy% 1.0 1.857 4.001 1146 1146 A 33 LEU HDy% A 31 GLU H 1.0 1.945 4.721 1147 1147 A 31 GLU HBy A 31 GLU H 1.0 1.609 2.855 1148 1148 A 32 ASN H A 31 GLU HA 1.0 1.579 2.749 1149 1149 A 32 ASN H A 32 ASN HBy 1.0 1.976 5.138 1150 1150 A 72 LYS HEy A 32 ASN H 1.0 1.974 5.118 1151 1151 A 32 ASN H A 31 GLU HBx 1.0 1.899 4.297 1152 1152 A 33 LEU H A 33 LEU HA 1.0 1.818 3.766 1153 1153 A 33 LEU HBx A 33 LEU H 1.0 1.865 4.061 1154 1154 A 34 TRP HB2 A 34 TRP H 1.0 1.803 3.683 1155 1155 A 70 ALA HB% A 34 TRP H 1.0 1.976 5.142 1156 1156 A 33 LEU HBx A 34 TRP H 1.0 1.726 3.312 1157 1157 A 33 LEU HDy% A 34 TRP H 1.0 1.871 4.095 1158 1158 A 35 LEU H A 35 LEU HA 1.0 1.861 4.035 1159 1159 A 34 TRP HA A 35 LEU H 1.0 1.685 3.141 1160 1160 A 34 TRP HB2 A 35 LEU H 1.0 1.887 4.215 1161 1161 A 35 LEU HBx A 35 LEU H 1.0 1.691 3.165 1162 1162 A 35 LEU H A 35 LEU HDx% 1.0 1.971 5.067 1163 1163 A 73 LEU HBx A 35 LEU H 1.0 1.970 5.044 1164 1164 A 36 ASN HA A 36 ASN H 1.0 1.895 4.275 1165 1165 A 35 LEU HBy A 36 ASN H 1.0 1.932 4.596 1166 1166 A 35 LEU HG A 36 ASN H 1.0 1.906 4.364 1167 1167 A 35 LEU HDy% A 36 ASN H 1.0 1.832 3.850 1168 1168 A 35 LEU HBx A 36 ASN H 1.0 1.947 4.745 1169 1169 A 36 ASN HA A 37 LEU H 1.0 1.674 3.096 1170 1170 A 37 LEU HDy% A 37 LEU H 1.0 1.776 3.548 1171 1171 A 37 LEU HBx A 37 LEU H 1.0 1.854 3.986 1172 1172 A 39 ASP H A 38 THR H 1.0 1.776 3.548 1173 1173 A 38 THR H A 37 LEU HA 1.0 1.972 5.088 1174 1174 A 38 THR H A 67 TYR HBx 1.0 1.984 5.290 1175 1175 A 38 THR H A 38 THR HG2% 1.0 1.947 4.753 1176 1176 A 39 ASP HA A 39 ASP H 1.0 1.802 3.680 1177 1177 A 39 ASP HBx A 39 ASP H 1.0 1.907 4.369 1178 1178 A 39 ASP H A 38 THR HG2% 1.0 1.833 3.855 1179 1179 A 35 LEU HDy% A 40 GLY H 1.0 1.929 4.557 1180 1180 A 40 GLY H A 41 SER H 1.0 1.800 3.668 1181 1181 A 39 ASP H A 40 GLY H 1.0 1.697 3.187 1182 1182 A 39 ASP HA A 40 GLY H 1.0 1.966 4.988 1183 1183 A 40 GLY HAx A 40 GLY H 1.0 1.738 3.368 1184 1184 A 41 SER HBx A 41 SER H 1.0 1.795 3.645 1185 1185 A 40 GLY HAy A 41 SER H 1.0 1.904 4.340 1186 1186 A 35 LEU HDy% A 41 SER H 1.0 1.968 5.010 1187 1187 A 36 ASN HBx A 41 SER H 1.0 1.950 4.778 1188 1188 A 40 GLY HAx A 41 SER H 1.0 1.913 4.421 1189 1189 A 41 SER HA A 41 SER H 1.0 1.832 3.850 1190 1190 A 41 SER HBy A 41 SER H 1.0 1.626 2.914 1191 1191 A 42 VAL HA A 42 VAL H 1.0 1.790 3.620 1192 1192 A 34 TRP HB2 A 43 LEU H 1.0 1.874 4.116 1193 1193 A 44 CYS H A 43 LEU H 1.0 1.962 4.936 1194 1194 A 44 CYS H A 57 HIS HBy 1.0 1.959 4.895 1195 1195 A 44 CYS HBy A 44 CYS H 1.0 1.880 4.164 1196 1196 A 44 CYS H A 57 HIS HBx 1.0 1.949 4.769 1197 1197 A 24 CYS HBx A 44 CYS H 1.0 1.867 4.071 1198 1198 A 44 CYS H A 43 LEU HBy 1.0 1.958 4.886 1199 1199 A 44 CYS H A 43 LEU HBx 1.0 1.874 4.116 1200 1200 A 44 CYS H A 43 LEU HDy% 1.0 1.916 4.438 1201 1201 A 33 LEU HA A 45 GLY H 1.0 1.910 4.400 1202 1202 A 45 GLY H A 54 GLY HAx 1.0 1.966 4.988 1203 1203 A 32 ASN HBy A 45 GLY H 1.0 1.691 3.165 1204 1204 A 33 LEU HDy% A 45 GLY H 1.0 1.943 4.713 1205 1205 A 54 GLY H A 53 GLY HA3 1.0 1.768 3.508 1206 1206 A 58 ALA HA A 58 ALA H 1.0 1.778 3.558 1207 1207 A 60 GLU HBy A 61 HIS H 1.0 1.727 3.317 1208 1208 A 43 LEU HDx% A 61 HIS H 1.0 1.898 4.288 1209 1209 A 60 GLU HA A 61 HIS H 1.0 1.955 4.839 1210 1210 A 62 TYR H A 61 HIS H 1.0 1.846 3.934 1211 1211 A 61 HIS HBx A 61 HIS H 1.0 1.636 2.948 1212 1212 A 62 TYR H A 63 ARG H 1.0 1.824 3.808 1213 1213 A 61 HIS HBx A 62 TYR H 1.0 1.818 3.768 1214 1214 A 62 TYR HBx A 62 TYR H 1.0 1.814 3.748 1215 1215 A 62 TYR HBy A 63 ARG H 1.0 1.884 4.190 1216 1216 A 63 ARG HB2 A 63 ARG H 1.0 1.615 2.875 1217 1217 A 60 GLU HA A 64 ASP H 1.0 1.926 4.538 1218 1218 A 64 ASP H A 63 ARG HA 1.0 1.962 4.936 1219 1219 A 58 ALA HA A 61 HIS H 1.0 1.968 5.014 1220 1220 A 63 ARG HB2 A 64 ASP H 1.0 1.693 3.171 1221 1221 A 64 ASP H A 65 MET H 1.0 1.735 3.357 1222 1222 A 65 MET HA A 65 MET H 1.0 1.800 3.672 1223 1223 A 64 ASP HB2 A 65 MET H 1.0 1.760 3.470 1224 1224 A 65 MET HGy A 65 MET H 1.0 1.838 3.884 1225 1225 A 65 MET HGx A 65 MET H 1.0 1.935 4.617 1226 1226 A 65 MET HBy A 65 MET H 1.0 1.808 3.712 1227 1227 A 65 MET HBx A 65 MET H 1.0 1.872 4.098 1228 1228 A 66 GLY H A 67 TYR H 1.0 1.849 3.957 1229 1229 A 67 TYR HA A 67 TYR H 1.0 1.880 4.164 1230 1230 A 66 GLY HAx A 67 TYR H 1.0 1.758 3.456 1231 1231 A 67 TYR HBx A 67 TYR H 1.0 1.812 3.738 1232 1232 A 70 ALA H A 69 LEU H 1.0 1.943 4.713 1233 1233 A 69 LEU HBx A 69 LEU H 1.0 1.926 4.532 1234 1234 A 69 LEU HG A 69 LEU H 1.0 1.843 3.915 1235 1235 A 69 LEU HBx A 70 ALA H 1.0 1.850 3.954 1236 1236 A 70 ALA HB% A 70 ALA H 1.0 1.880 4.164 1237 1237 A 70 ALA H A 69 LEU HBy 1.0 1.925 4.525 1238 1238 A 69 LEU HDy% A 70 ALA H 1.0 1.837 3.879 1239 1239 A 71 VAL HA A 71 VAL H 1.0 1.877 4.141 1240 1240 A 71 VAL HB A 71 VAL H 1.0 1.718 3.278 1241 1241 A 35 LEU HBx A 71 VAL H 1.0 1.846 3.932 1242 1242 A 72 LYS H A 82 ASP HBy 1.0 1.929 4.563 1243 1243 A 72 LYS H A 71 VAL HGy% 1.0 1.952 4.812 1244 1244 A 72 LYS H A 72 LYS HB2 1.0 1.639 2.963 1245 1245 A 74 GLY H A 73 LEU H 1.0 1.985 5.325 1246 1246 A 73 LEU HBy A 73 LEU H 1.0 1.772 3.524 1247 1247 A 73 LEU HBx A 73 LEU H 1.0 1.753 3.437 1248 1248 A 74 GLY H A 76 ILE H 1.0 1.877 4.137 1249 1249 A 74 GLY H A 76 ILE HG1y 1.0 1.954 4.830 1250 1250 A 76 ILE HD1% A 74 GLY H 1.0 1.845 3.927 1251 1251 A 73 LEU HBx A 74 GLY H 1.0 1.761 3.475 1252 1252 A 74 GLY H A 75 THR H 1.0 1.812 3.736 1253 1253 A 75 THR HB A 75 THR H 1.0 1.897 4.283 1254 1254 A 75 THR HA A 75 THR H 1.0 1.725 3.311 1255 1255 A 75 THR H A 74 GLY HAy 1.0 1.962 4.946 1256 1256 A 76 ILE HB A 75 THR H 1.0 1.920 4.478 1257 1257 A 76 ILE HD1% A 75 THR H 1.0 1.827 3.819 1258 1258 A 75 THR H A 76 ILE H 1.0 1.702 3.210 1259 1259 A 75 THR HA A 76 ILE H 1.0 1.883 4.183 1260 1260 A 76 ILE H A 74 GLY HAy 1.0 1.996 5.648 1261 1261 A 76 ILE HB A 76 ILE H 1.0 1.590 2.790 1262 1262 A 76 ILE HD1% A 76 ILE H 1.0 1.688 3.154 1263 1263 A 77 THR HA A 77 THR H 1.0 1.869 4.085 1264 1264 A 77 THR HB A 77 THR H 1.0 1.850 3.960 1265 1265 A 76 ILE HB A 77 THR H 1.0 1.921 4.483 1266 1266 A 77 THR H A 77 THR HG2% 1.0 1.883 4.175 1267 1267 A 76 ILE HG2% A 77 THR H 1.0 1.720 3.288 1268 1268 A 79 ASP HA A 79 ASP H 1.0 1.685 3.139 1269 1269 A 78 PRO HDy A 79 ASP H 1.0 1.957 4.867 1270 1270 A 78 PRO HDx A 79 ASP H 1.0 1.767 3.503 1271 1271 A 79 ASP HBy A 79 ASP H 1.0 1.966 4.988 1272 1272 A 79 ASP HBx A 79 ASP H 1.0 1.725 3.307 1273 1273 A 78 PRO HGy A 79 ASP H 1.0 1.934 4.610 1274 1274 A 78 PRO HBx A 79 ASP H 1.0 1.897 4.283 1275 1275 A 79 ASP HA A 80 GLY H 1.0 1.814 3.748 1276 1276 A 80 GLY H A 80 GLY HAy 1.0 1.771 3.525 1277 1277 A 80 GLY H A 80 GLY HAx 1.0 1.850 3.960 1278 1278 A 79 ASP HBx A 80 GLY H 1.0 1.879 4.153 1279 1279 A 80 GLY H A 77 THR HG2% 1.0 1.985 5.333 1280 1280 A 80 GLY HAy A 81 ALA H 1.0 1.706 3.226 1281 1281 A 97 LEU HBy A 81 ALA H 1.0 1.962 4.946 1282 1282 A 97 LEU HDy% A 81 ALA H 1.0 1.980 5.234 1283 1283 A 81 ALA HA A 82 ASP H 1.0 1.717 3.275 1284 1284 A 82 ASP H A 82 ASP HBx 1.0 1.931 4.583 1285 1285 A 81 ALA HB% A 82 ASP H 1.0 1.773 3.533 1286 1286 A 75 THR HG2% A 82 ASP H 1.0 1.921 4.489 1287 1287 A 83 VAL H A 82 ASP HA 1.0 1.508 2.524 1288 1288 A 83 VAL HA A 84 TYR H 1.0 1.664 3.058 1289 1289 A 84 TYR H A 83 VAL HGy% 1.0 1.880 4.156 1290 1290 A 85 SER H A 92 VAL HGx% 1.0 1.854 3.980 1291 1291 A 86 PHE H A 86 PHE HD1 1.0 1.926 4.532 1292 1292 A 85 SER HBy A 86 PHE H 1.0 1.894 4.270 1293 1293 A 86 PHE H A 86 PHE HBx 1.0 1.873 4.105 1294 1294 A 86 PHE H A 87 GLN H 1.0 1.798 3.660 1295 1295 A 87 GLN H A 68 PRO HA 1.0 1.974 5.104 1296 1296 A 87 GLN H A 87 GLN HG2 1.0 1.956 4.858 1297 1297 A 87 GLN H A 86 PHE HBx 1.0 1.905 4.349 1298 1298 A 87 GLN H A 88 GLU H 1.0 1.783 3.579 1299 1299 A 88 GLU HA A 88 GLU H 1.0 1.772 3.526 1300 1300 A 85 SER HBy A 88 GLU H 1.0 1.791 3.623 1301 1301 A 88 GLU HGx A 88 GLU H 1.0 1.881 4.171 1302 1302 A 88 GLU HBy A 88 GLU H 1.0 1.968 7.052 1303 1303 A 87 GLN HBy A 88 GLU H 1.0 1.845 3.927 1304 1304 A 89 GLU H A 89 GLU HB2 1.0 1.792 3.626 1305 1305 A 90 GLU HA A 90 GLU H 1.0 1.846 3.934 1306 1306 A 89 GLU HA A 90 GLU H 1.0 1.718 3.280 1307 1307 A 90 GLU H A 90 GLU HGy 1.0 1.702 3.208 1308 1308 A 90 GLU HBx A 90 GLU H 1.0 1.925 4.525 1309 1309 A 88 GLU HBx A 90 GLU H 1.0 1.940 4.674 1310 1310 A 92 VAL H A 92 VAL HA 1.0 1.768 3.504 1311 1311 A 92 VAL H A 84 TYR HA 1.0 1.828 3.826 1312 1312 A 92 VAL H A 92 VAL HGx% 1.0 1.803 3.689 1313 1313 A 92 VAL H A 91 PRO HBy 1.0 1.942 4.698 1314 1314 A 92 VAL H A 91 PRO HBx 1.0 1.902 7.868 1315 1315 A 93 LEU H A 92 VAL HGy% 1.0 1.951 4.795 1316 1316 A 94 ASP H A 94 ASP HBy 1.0 1.819 3.773 1317 1317 A 94 ASP H A 93 LEU HG 1.0 1.806 3.706 1318 1318 A 94 ASP H A 97 LEU HDy% 1.0 1.925 4.519 1319 1319 A 94 ASP H A 93 LEU HDx% 1.0 1.849 3.951 1320 1320 A 95 PRO HDx A 96 HIS H 1.0 1.841 3.905 1321 1321 A 97 LEU HA A 96 HIS H 1.0 1.979 5.213 1322 1322 A 96 HIS H A 95 PRO HGx 1.0 1.947 4.745 1323 1323 A 97 LEU HG A 96 HIS H 1.0 1.913 4.421 1324 1324 A 95 PRO HBx A 96 HIS H 1.0 1.868 4.078 1325 1325 A 97 LEU H A 96 HIS HA 1.0 1.873 4.105 1326 1326 A 97 LEU H A 95 PRO HA 1.0 1.997 5.709 1327 1327 A 97 LEU HBy A 97 LEU H 1.0 1.786 3.598 1328 1328 A 97 LEU HBx A 97 LEU H 1.0 1.684 3.138 1329 1329 A 97 LEU H A 97 LEU HDy% 1.0 1.955 4.849 1330 1330 A 97 LEU HDx% A 97 LEU H 1.0 1.831 3.843 1331 1331 A 97 LEU H A 98 ALA HB% 1.0 1.973 5.089 1332 1332 A 97 LEU H A 96 HIS HBx 1.0 1.938 4.660 1333 1333 A 97 LEU H A 94 ASP HBy 1.0 1.906 4.354 1334 1334 A 99 LYS H A 96 HIS HA 1.0 1.940 4.682 1335 1335 A 98 ALA H A 99 LYS H 1.0 1.746 3.402 1336 1336 A 98 ALA HA A 101 LEU H 1.0 1.868 4.078 1337 1337 A 98 ALA H A 97 LEU H 1.0 1.810 3.724 1338 1338 A 98 ALA H A 97 LEU HA 1.0 1.843 3.919 1339 1339 A 98 ALA H A 97 LEU HBy 1.0 1.839 3.895 1340 1340 A 98 ALA H A 97 LEU HBx 1.0 1.728 3.320 1341 1341 A 98 ALA H A 97 LEU HDx% 1.0 1.934 4.610 1342 1342 A 98 ALA H A 96 HIS HA 1.0 1.772 3.526 1343 1343 A 99 LYS H A 99 LYS HA 1.0 1.699 3.197 1344 1344 A 99 LYS H A 99 LYS HBx 1.0 1.563 2.697 1345 1345 A 99 LYS H A 98 ALA HB% 1.0 1.648 2.994 1346 1346 A 100 HIS H A 101 LEU H 1.0 1.795 3.643 1347 1347 A 101 LEU H A 102 ALA H 1.0 1.756 3.448 1348 1348 A 100 HIS H A 100 HIS HBy 1.0 1.823 3.797 1349 1349 A 100 HIS HBx A 100 HIS H 1.0 1.858 4.010 1350 1350 A 100 HIS H A 99 LYS HBx 1.0 1.673 3.093 1351 1351 A 100 HIS H A 99 LYS HGx 1.0 1.828 3.824 1352 1352 A 100 HIS H A 101 LEU HDy% 1.0 1.981 5.237 1353 1353 A 100 HIS H A 97 LEU HDy% 1.0 2.000 6.042 1354 1354 A 100 HIS H A 97 LEU HA 1.0 1.747 3.405 1355 1355 A 100 HIS H A 99 LYS HA 1.0 1.936 4.624 1356 1356 A 101 LEU HG A 101 LEU H 1.0 1.601 2.827 1357 1357 A 101 LEU HDy% A 101 LEU H 1.0 1.933 4.603 1358 1358 A 101 LEU H A 101 LEU HDx% 1.0 1.875 4.127 1359 1359 A 102 ALA H A 102 ALA HA 1.0 1.674 3.094 1360 1360 A 101 LEU HG A 102 ALA H 1.0 1.855 3.989 1361 1361 A 101 LEU HDy% A 102 ALA H 1.0 1.969 5.033 1362 1362 A 102 ALA H A 103 HIS H 1.0 1.773 3.531 1363 1363 A 100 HIS HA A 103 HIS H 1.0 1.978 5.182 1364 1364 A 103 HIS H A 102 ALA HA 1.0 1.940 4.682 1365 1365 A 103 HIS HA A 103 HIS H 1.0 1.731 3.333 1366 1366 A 103 HIS HBy A 103 HIS H 1.0 1.662 3.052 1367 1367 A 103 HIS H A 104 PHE H 1.0 1.785 3.595 1368 1368 A 104 PHE HA A 104 PHE H 1.0 1.836 3.872 1369 1369 A 104 PHE HBx A 104 PHE H 1.0 1.803 3.685 1370 1370 A 103 HIS HBy A 104 PHE H 1.0 1.987 5.361 1371 1371 A 104 PHE HBy A 104 PHE H 1.0 1.877 4.137 1372 1372 A 102 ALA HA A 104 PHE H 1.0 1.760 3.472 1373 1373 A 103 HIS HA A 104 PHE H 1.0 1.890 4.240 1374 1374 A 102 ALA HB% A 104 PHE H 1.0 1.965 4.967 1375 1375 A 104 PHE HBx A 105 GLY H 1.0 1.976 5.148 1376 1376 A 105 GLY H A 102 ALA HB% 1.0 1.974 5.116 1377 1377 A 105 GLY H A 106 ILE H 1.0 1.763 3.483 1378 1378 A 105 GLY HAy A 106 ILE H 1.0 1.798 3.658 1379 1379 A 106 ILE HA A 106 ILE H 1.0 1.653 3.011 1380 1380 A 106 ILE HB A 106 ILE H 1.0 1.671 3.085 1381 1381 A 106 ILE HG1y A 106 ILE H 1.0 1.777 3.555 1382 1382 A 106 ILE HG2% A 106 ILE H 1.0 1.907 4.369 1383 1383 A 107 ASP HBx A 107 ASP H 1.0 1.834 3.860 1384 1384 A 109 LEU H A 108 MET H 1.0 1.789 3.613 1385 1385 A 108 MET H A 108 MET HG2 1.0 1.720 3.288 1386 1386 A 108 MET H A 109 LEU HG 1.0 1.929 4.563 1387 1387 A 109 LEU H A 110 HIS H 1.0 1.606 2.842 1388 1388 A 109 LEU H A 107 ASP HA 1.0 1.957 4.867 1389 1389 A 109 LEU H A 108 MET HA 1.0 1.839 3.889 1390 1390 A 109 LEU H A 108 MET HG2 1.0 1.950 4.778 1391 1391 A 109 LEU H A 108 MET HBx 1.0 1.794 3.638 1392 1392 A 109 LEU H A 109 LEU HBy 1.0 1.715 3.269 1393 1393 A 109 LEU H A 109 LEU HDx% 1.0 1.921 4.489 1394 1394 A 109 LEU HA A 110 HIS H 1.0 1.890 4.236 1395 1395 A 108 MET HA A 110 HIS H 1.0 1.979 5.209 1396 1396 A 110 HIS H A 111 MET HGy 1.0 1.998 5.754 1397 1397 A 109 LEU HBy A 110 HIS H 1.0 1.860 4.026 1398 1398 A 109 LEU HBx A 110 HIS H 1.0 1.977 5.173 1399 1399 A 110 HIS H A 111 MET H 1.0 1.812 3.738 1400 1400 A 111 MET HA A 111 MET H 1.0 1.823 3.799 1401 1401 A 111 MET HGy A 111 MET H 1.0 1.942 4.690 1402 1402 A 111 MET H A 111 MET HGx 1.0 1.948 4.762 1403 1403 A 111 MET HBx A 111 MET H 1.0 1.603 2.831 1404 1404 A 111 MET HBy A 111 MET H 1.0 1.956 4.858 1405 1405 A 111 MET HA A 112 HIS H 1.0 1.847 3.941 1406 1406 A 113 GLY HA3 A 113 GLY H 1.0 1.919 4.471 1407 1407 A 114 THR H A 114 THR HA 1.0 1.934 4.610 1408 1408 A 114 THR H A 112 HIS HA 1.0 1.862 4.032 1409 1409 A 65 MET HBy A 67 TYR H 1.0 1.900 4.310 1410 1410 A 65 MET HBx A 67 TYR H 1.0 1.916 4.444 1411 1411 A 24 CYS HA A 44 CYS H 1.0 1.981 5.231 1412 1412 A 54 GLY HAx A 54 GLY H 1.0 1.834 3.862 1413 1413 A 54 GLY H A 54 GLY HAy 1.0 1.827 3.817 stop_ save_