data_nef_c19824_4crp save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 4crp stop_ 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 9 CYS SG 1 91 CYS SG 1 24 CYS SG 1 69 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 ASP middle . . 3 A 3 ASP middle . . 4 A 4 ASP middle . . 5 A 5 ASP middle . . 6 A 6 VAL middle . . 7 A 7 SER middle . . 8 A 8 PHE middle . . 9 A 9 CYS middle -HG . 10 A 10 ALA middle . . 11 A 11 SER middle . . 12 A 12 VAL middle . . 13 A 13 GLN middle . . 14 A 14 LEU middle . . 15 A 15 HIS middle . . 16 A 16 THR middle . . 17 A 17 ALA middle . . 18 A 18 VAL middle . . 19 A 19 GLU middle . . 20 A 20 MET middle . . 21 A 21 HIS middle . . 22 A 22 HIS middle . . 23 A 23 TRP middle . . 24 A 24 CYS middle -HG . 25 A 25 ILE middle . . 26 A 26 PRO middle . false 27 A 27 PHE middle . . 28 A 28 SER middle . . 29 A 29 VAL middle . . 30 A 30 ASP middle . . 31 A 31 GLY middle . false 32 A 32 GLN middle . . 33 A 33 PRO middle . false 34 A 34 ALA middle . . 35 A 35 PRO middle . false 36 A 36 SER middle . . 37 A 37 LEU middle . . 38 A 38 ARG middle . . 39 A 39 TRP middle . . 40 A 40 LEU middle . . 41 A 41 PHE middle . . 42 A 42 ASN middle . . 43 A 43 GLY middle . false 44 A 44 SER middle . . 45 A 45 VAL middle . . 46 A 46 LEU middle . . 47 A 47 ASN middle . . 48 A 48 GLU middle . . 49 A 49 THR middle . . 50 A 50 SER middle . . 51 A 51 PHE middle . . 52 A 52 ILE middle . . 53 A 53 PHE middle . . 54 A 54 THR middle . . 55 A 55 GLU middle . . 56 A 56 PHE middle . . 57 A 57 LEU middle . . 58 A 58 GLU middle . . 59 A 59 PRO middle . false 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 ASN middle . . 63 A 63 GLU middle . . 64 A 64 THR middle . . 65 A 65 VAL middle . . 66 A 66 ARG middle . . 67 A 67 HIS middle . . 68 A 68 GLY middle . false 69 A 69 CYS middle -HG . 70 A 70 LEU middle . . 71 A 71 ARG middle . . 72 A 72 LEU middle . . 73 A 73 ASN middle . . 74 A 74 GLN middle . . 75 A 75 PRO middle . false 76 A 76 THR middle . . 77 A 77 HIS middle . . 78 A 78 VAL middle . . 79 A 79 ASN middle . . 80 A 80 ASN middle . . 81 A 81 GLY middle . false 82 A 82 ASN middle . . 83 A 83 TYR middle . . 84 A 84 THR middle . . 85 A 85 LEU middle . . 86 A 86 LEU middle . . 87 A 87 ALA middle . . 88 A 88 ALA middle . . 89 A 89 ASN middle . . 90 A 90 PRO middle . false 91 A 91 CYS middle -HG . 92 A 92 GLY middle . false 93 A 93 GLN middle . . 94 A 94 ALA middle . . 95 A 95 SER middle . . 96 A 96 ALA middle . . 97 A 97 SER middle . . 98 A 98 ILE middle . . 99 A 99 MET middle . . 100 A 100 ALA middle . . 101 A 101 ALA middle . . 102 A 102 PHE middle . . 103 A 103 MET middle . . 104 A 104 ASP middle . . 105 A 105 ASN middle . . 106 A 106 PRO middle . false 107 A 107 PHE end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 6 VAL H H 1 8.063 0.006 A 6 VAL HA H 1 4.175 0.011 A 6 VAL HB H 1 2.140 0.018 A 6 VAL HGx% H 1 0.907 0.01 A 6 VAL HGy% H 1 0.889 0.014 A 6 VAL C C 13 176.057 0.012 A 6 VAL CA C 13 62.225 0.079 A 6 VAL CB C 13 32.493 0.076 A 6 VAL CGx C 13 20.538 0.097 A 6 VAL CGy C 13 21.449 0.038 A 6 VAL N N 15 120.135 0.099 A 7 SER H H 1 8.230 0.01 A 7 SER HA H 1 4.391 0.01 A 7 SER HBy H 1 3.793 0.011 A 7 SER HBx H 1 3.791 0.02 A 7 SER C C 13 173.997 0.002 A 7 SER CA C 13 58.406 0.099 A 7 SER CB C 13 64.339 0.068 A 7 SER N N 15 119.211 0.096 A 8 PHE H H 1 8.709 0.017 A 8 PHE HA H 1 4.873 0.014 A 8 PHE HBx H 1 3.089 0.011 A 8 PHE HBy H 1 3.408 0.015 A 8 PHE HD1 H 1 7.180 0.011 A 8 PHE HD2 H 1 7.180 0.011 A 8 PHE HE2 H 1 6.054 0.000 A 8 PHE HZ H 1 7.314 0.009 A 8 PHE C C 13 175.770 0.005 A 8 PHE CA C 13 57.238 0.109 A 8 PHE CB C 13 39.726 0.083 A 8 PHE CD1 C 13 131.916 0.176 A 8 PHE CD2 C 13 131.916 0.176 A 8 PHE CZ C 13 129.071 0.067 A 8 PHE N N 15 118.378 0.049 A 9 CYS H H 1 8.731 0.005 A 9 CYS HA H 1 4.816 0.000 A 9 CYS HB2 H 1 3.192 0.011 A 9 CYS HB3 H 1 3.192 0.013 A 9 CYS C C 13 173.121 0.003 A 9 CYS CA C 13 58.686 0.08 A 9 CYS CB C 13 41.978 0.033 A 9 CYS N N 15 123.064 0.05 A 10 ALA H H 1 7.657 0.007 A 10 ALA HA H 1 4.805 0.024 A 10 ALA HB% H 1 1.062 0.011 A 10 ALA C C 13 175.970 0.007 A 10 ALA CA C 13 51.870 0.119 A 10 ALA CB C 13 20.263 0.051 A 10 ALA N N 15 121.224 0.13 A 11 SER H H 1 8.269 0.007 A 11 SER HA H 1 4.466 0.015 A 11 SER HBx H 1 3.737 0.02 A 11 SER HBy H 1 3.749 0.019 A 11 SER C C 13 172.298 0.005 A 11 SER CA C 13 57.201 0.095 A 11 SER CB C 13 65.600 0.051 A 11 SER N N 15 113.788 0.09 A 12 VAL H H 1 8.514 0.008 A 12 VAL HA H 1 5.008 0.013 A 12 VAL HB H 1 1.700 0.014 A 12 VAL HGx% H 1 0.670 0.02 A 12 VAL HGy% H 1 0.693 0.022 A 12 VAL C C 13 173.203 0.007 A 12 VAL CA C 13 60.101 0.128 A 12 VAL CB C 13 35.875 0.083 A 12 VAL CGy C 13 22.096 0.02 A 12 VAL CGx C 13 21.693 0.202 A 12 VAL N N 15 118.709 0.098 A 13 GLN H H 1 8.584 0.014 A 13 GLN HA H 1 4.482 0.014 A 13 GLN HBx H 1 1.902 0.013 A 13 GLN HBy H 1 1.909 0.013 A 13 GLN HE21 H 1 6.815 0.009 A 13 GLN HE22 H 1 7.525 0.016 A 13 GLN HGy H 1 2.248 0.013 A 13 GLN HGx H 1 2.246 0.012 A 13 GLN C C 13 173.838 0.006 A 13 GLN CA C 13 55.083 0.241 A 13 GLN CB C 13 32.846 0.095 A 13 GLN CD C 13 180.477 0.007 A 13 GLN CG C 13 34.038 0.062 A 13 GLN N N 15 123.275 0.083 A 13 GLN NE2 N 15 112.063 0.219 A 14 LEU H H 1 8.287 0.01 A 14 LEU HA H 1 5.232 0.027 A 14 LEU HBy H 1 1.494 0.018 A 14 LEU HBx H 1 1.360 0.006 A 14 LEU HDx% H 1 1.030 0.009 A 14 LEU HDy% H 1 1.121 0.011 A 14 LEU HG H 1 1.480 0.016 A 14 LEU C C 13 175.319 0.002 A 14 LEU CA C 13 53.714 0.121 A 14 LEU CB C 13 46.993 0.076 A 14 LEU CDy C 13 26.287 0.054 A 14 LEU CDx C 13 26.168 0.072 A 14 LEU CG C 13 27.463 0.322 A 14 LEU N N 15 122.363 0.084 A 15 HIS H H 1 8.138 0.01 A 15 HIS HA H 1 4.948 0.025 A 15 HIS HBy H 1 3.446 0.01 A 15 HIS HBx H 1 2.752 0.017 A 15 HIS HD2 H 1 6.835 0.011 A 15 HIS HE1 H 1 8.172 0.029 A 15 HIS C C 13 171.815 0.006 A 15 HIS CA C 13 54.040 0.144 A 15 HIS CB C 13 32.881 0.076 A 15 HIS CD2 C 13 119.796 0.215 A 15 HIS CE1 C 13 136.707 0.072 A 15 HIS N N 15 120.720 0.081 A 16 THR H H 1 7.742 0.007 A 16 THR HA H 1 4.054 0.016 A 16 THR HB H 1 4.123 0.015 A 16 THR HG2% H 1 1.455 0.01 A 16 THR C C 13 174.202 0.006 A 16 THR CA C 13 63.475 0.078 A 16 THR CB C 13 70.146 0.114 A 16 THR CG2 C 13 22.190 0.078 A 16 THR N N 15 110.904 0.116 A 17 ALA H H 1 8.422 0.008 A 17 ALA HA H 1 4.863 0.028 A 17 ALA HB% H 1 1.446 0.006 A 17 ALA C C 13 177.543 0.023 A 17 ALA CA C 13 53.069 0.118 A 17 ALA CB C 13 19.753 0.085 A 17 ALA N N 15 124.342 0.12 A 18 VAL H H 1 9.208 0.006 A 18 VAL HA H 1 4.409 0.017 A 18 VAL HB H 1 1.903 0.014 A 18 VAL HGx% H 1 0.918 0.017 A 18 VAL HGy% H 1 0.862 0.01 A 18 VAL C C 13 173.015 0.016 A 18 VAL CA C 13 60.433 0.108 A 18 VAL CB C 13 36.237 0.072 A 18 VAL CGx C 13 20.726 0.033 A 18 VAL CGy C 13 21.354 0.048 A 18 VAL N N 15 119.820 0.156 A 19 GLU H H 1 8.217 0.009 A 19 GLU HA H 1 3.122 0.014 A 19 GLU HBy H 1 1.258 0.014 A 19 GLU HBx H 1 -0.227 0.013 A 19 GLU HGy H 1 1.117 0.01 A 19 GLU HGx H 1 0.864 0.009 A 19 GLU C C 13 174.947 0.000 A 19 GLU CA C 13 56.190 0.05 A 19 GLU CB C 13 29.075 0.111 A 19 GLU CG C 13 35.602 0.047 A 19 GLU N N 15 128.644 0.152 A 20 MET H H 1 8.181 0.012 A 20 MET HA H 1 4.276 0.011 A 20 MET HBy H 1 1.763 0.009 A 20 MET HBx H 1 1.622 0.016 A 20 MET HE% H 1 1.926 0.003 A 20 MET HGy H 1 2.037 0.011 A 20 MET HGx H 1 1.899 0.016 A 20 MET CA C 13 54.507 0.073 A 20 MET CB C 13 31.498 0.121 A 20 MET CE C 13 16.779 0.052 A 20 MET CG C 13 30.378 0.094 A 20 MET N N 15 128.869 0.071 A 21 HIS H H 1 8.279 0.029 A 21 HIS HA H 1 3.971 0.01 A 21 HIS HBy H 1 3.533 0.032 A 21 HIS HBx H 1 3.470 0.025 A 21 HIS HD2 H 1 7.112 0.004 A 21 HIS HE1 H 1 7.930 0.02 A 21 HIS C C 13 176.221 0.000 A 21 HIS CA C 13 61.091 0.102 A 21 HIS CB C 13 28.563 0.173 A 21 HIS CD2 C 13 118.791 0.067 A 21 HIS CE1 C 13 137.697 0.000 A 21 HIS N N 15 120.418 0.149 A 22 HIS H H 1 7.475 0.006 A 22 HIS HA H 1 4.885 0.023 A 22 HIS HBx H 1 3.220 0.01 A 22 HIS HBy H 1 3.272 0.006 A 22 HIS HD2 H 1 7.101 0.007 A 22 HIS HE1 H 1 7.991 0.000 A 22 HIS C C 13 174.058 0.026 A 22 HIS CA C 13 55.502 0.08 A 22 HIS CB C 13 31.922 0.043 A 22 HIS CE1 C 13 137.539 0.000 A 22 HIS N N 15 115.972 0.064 A 23 TRP H H 1 8.744 0.011 A 23 TRP HA H 1 4.996 0.014 A 23 TRP HBy H 1 3.197 0.016 A 23 TRP HBx H 1 3.013 0.026 A 23 TRP HD1 H 1 7.117 0.011 A 23 TRP HE1 H 1 10.279 0.024 A 23 TRP HE3 H 1 7.252 0.025 A 23 TRP HH2 H 1 7.244 0.01 A 23 TRP HZ2 H 1 7.555 0.008 A 23 TRP HZ3 H 1 6.823 0.012 A 23 TRP C C 13 175.749 0.005 A 23 TRP CA C 13 58.391 0.114 A 23 TRP CB C 13 31.629 0.11 A 23 TRP CD1 C 13 126.256 0.114 A 23 TRP CE3 C 13 118.937 0.082 A 23 TRP CH2 C 13 124.296 0.223 A 23 TRP CZ2 C 13 114.735 0.157 A 23 TRP CZ3 C 13 121.421 0.183 A 23 TRP N N 15 119.194 0.05 A 23 TRP NE1 N 15 129.726 0.024 A 24 CYS H H 1 9.102 0.008 A 24 CYS HA H 1 5.443 0.015 A 24 CYS HBy H 1 3.528 0.016 A 24 CYS HBx H 1 2.913 0.02 A 24 CYS C C 13 175.312 0.007 A 24 CYS CA C 13 55.158 0.088 A 24 CYS CB C 13 51.242 0.094 A 24 CYS N N 15 122.035 0.054 A 25 ILE H H 1 9.310 0.009 A 25 ILE HA H 1 4.633 0.023 A 25 ILE HB H 1 1.935 0.02 A 25 ILE HD1% H 1 0.097 0.016 A 25 ILE HG1y H 1 1.464 0.024 A 25 ILE HG1x H 1 0.730 0.017 A 25 ILE HG2% H 1 1.151 0.014 A 25 ILE C C 13 173.619 0.000 A 25 ILE CA C 13 60.378 0.144 A 25 ILE CB C 13 38.132 0.093 A 25 ILE CD1 C 13 13.131 0.115 A 25 ILE CG1 C 13 27.470 0.159 A 25 ILE CG2 C 13 18.143 0.037 A 25 ILE N N 15 130.105 0.09 A 26 PRO HA H 1 5.130 0.031 A 26 PRO HBy H 1 2.431 0.019 A 26 PRO HBx H 1 1.852 0.018 A 26 PRO HDx H 1 3.409 0.015 A 26 PRO HDy H 1 3.797 0.046 A 26 PRO HGy H 1 1.996 0.015 A 26 PRO HGx H 1 1.851 0.026 A 26 PRO C C 13 176.127 0.000 A 26 PRO CA C 13 62.078 0.169 A 26 PRO CB C 13 32.510 0.092 A 26 PRO CD C 13 50.807 0.108 A 26 PRO CG C 13 27.717 0.094 A 27 PHE H H 1 8.331 0.022 A 27 PHE HA H 1 5.905 0.022 A 27 PHE HBx H 1 2.972 0.019 A 27 PHE HBy H 1 3.021 0.014 A 27 PHE HD1 H 1 7.030 0.028 A 27 PHE HD2 H 1 7.030 0.028 A 27 PHE HE1 H 1 6.852 0.01 A 27 PHE HE2 H 1 6.852 0.01 A 27 PHE C C 13 174.947 0.005 A 27 PHE CA C 13 55.424 0.071 A 27 PHE CB C 13 45.567 0.093 A 27 PHE CD1 C 13 131.886 0.137 A 27 PHE CD2 C 13 131.886 0.137 A 27 PHE N N 15 116.583 0.059 A 28 SER H H 1 8.855 0.014 A 28 SER HA H 1 5.456 0.017 A 28 SER HBy H 1 3.699 0.018 A 28 SER HBx H 1 3.537 0.021 A 28 SER C C 13 173.264 0.000 A 28 SER CA C 13 57.964 0.189 A 28 SER CB C 13 65.750 0.075 A 28 SER N N 15 115.225 0.068 A 29 VAL H H 1 9.319 0.011 A 29 VAL HA H 1 5.328 0.015 A 29 VAL HB H 1 2.026 0.02 A 29 VAL HGx% H 1 1.094 0.008 A 29 VAL HGy% H 1 1.029 0.017 A 29 VAL C C 13 173.081 0.000 A 29 VAL CA C 13 59.382 0.111 A 29 VAL CB C 13 35.740 0.133 A 29 VAL CGx C 13 21.346 0.052 A 29 VAL CGy C 13 21.472 0.039 A 29 VAL N N 15 121.468 0.068 A 30 ASP H H 1 8.763 0.01 A 30 ASP HA H 1 5.339 0.016 A 30 ASP HBy H 1 2.878 0.022 A 30 ASP HBx H 1 2.340 0.019 A 30 ASP C C 13 174.132 0.002 A 30 ASP CA C 13 51.108 0.094 A 30 ASP CB C 13 44.943 0.095 A 30 ASP N N 15 128.426 0.162 A 31 GLY H H 1 8.646 0.015 A 31 GLY HAy H 1 3.869 0.028 A 31 GLY HAx H 1 3.041 0.011 A 31 GLY C C 13 172.229 0.011 A 31 GLY CA C 13 44.696 0.098 A 31 GLY N N 15 107.728 0.044 A 32 GLN H H 1 7.505 0.014 A 32 GLN HA H 1 4.318 0.01 A 32 GLN HBy H 1 1.734 0.015 A 32 GLN HBx H 1 1.588 0.013 A 32 GLN HE21 H 1 7.526 0.01 A 32 GLN HE22 H 1 6.988 0.006 A 32 GLN HGy H 1 2.133 0.013 A 32 GLN HGx H 1 2.128 0.014 A 32 GLN C C 13 173.262 0.000 A 32 GLN CA C 13 53.828 0.166 A 32 GLN CB C 13 33.104 0.094 A 32 GLN CD C 13 180.201 0.001 A 32 GLN CG C 13 34.413 0.04 A 32 GLN N N 15 120.687 0.089 A 32 GLN NE2 N 15 112.517 0.101 A 33 PRO HA H 1 4.591 0.008 A 33 PRO HBy H 1 2.470 0.012 A 33 PRO HBx H 1 1.974 0.014 A 33 PRO HDx H 1 3.387 0.015 A 33 PRO HDy H 1 3.551 0.014 A 33 PRO HGy H 1 1.919 0.009 A 33 PRO HGx H 1 1.793 0.02 A 33 PRO C C 13 175.134 0.000 A 33 PRO CA C 13 63.030 0.082 A 33 PRO CB C 13 34.990 0.069 A 33 PRO CD C 13 50.415 0.115 A 33 PRO CG C 13 25.875 0.079 A 34 ALA H H 1 8.670 0.004 A 34 ALA HA H 1 4.146 0.01 A 34 ALA HB% H 1 1.312 0.013 A 34 ALA C C 13 175.201 0.000 A 34 ALA CA C 13 50.746 0.068 A 34 ALA CB C 13 17.738 0.027 A 34 ALA N N 15 124.989 0.046 A 35 PRO HA H 1 4.590 0.03 A 35 PRO HBx H 1 1.657 0.008 A 35 PRO HBy H 1 1.822 0.015 A 35 PRO HDy H 1 4.144 0.013 A 35 PRO HDx H 1 3.546 0.014 A 35 PRO HGy H 1 1.850 0.022 A 35 PRO HGx H 1 1.647 0.014 A 35 PRO C C 13 176.340 0.008 A 35 PRO CA C 13 62.182 0.172 A 35 PRO CB C 13 33.751 0.071 A 35 PRO CG C 13 28.025 0.06 A 36 SER H H 1 8.846 0.005 A 36 SER HA H 1 4.555 0.013 A 36 SER HBx H 1 3.923 0.006 A 36 SER HBy H 1 3.926 0.003 A 36 SER C C 13 174.309 0.01 A 36 SER CA C 13 57.473 0.134 A 36 SER CB C 13 64.390 0.058 A 36 SER N N 15 116.210 0.067 A 37 LEU H H 1 8.652 0.008 A 37 LEU HA H 1 5.246 0.017 A 37 LEU HBy H 1 1.666 0.015 A 37 LEU HBx H 1 1.009 0.022 A 37 LEU HDx% H 1 0.752 0.011 A 37 LEU HDy% H 1 0.538 0.011 A 37 LEU HG H 1 1.622 0.013 A 37 LEU C C 13 177.057 0.004 A 37 LEU CA C 13 54.297 0.217 A 37 LEU CB C 13 44.284 0.09 A 37 LEU CDy C 13 25.665 0.071 A 37 LEU CDx C 13 24.196 0.084 A 37 LEU CG C 13 27.817 0.101 A 37 LEU N N 15 122.437 0.07 A 38 ARG H H 1 8.422 0.013 A 38 ARG HA H 1 4.433 0.017 A 38 ARG HBx H 1 1.785 0.013 A 38 ARG HBy H 1 1.791 0.02 A 38 ARG HDx H 1 3.144 0.016 A 38 ARG HDy H 1 3.146 0.016 A 38 ARG HE H 1 8.917 0.006 A 38 ARG HGx H 1 1.556 0.015 A 38 ARG HGy H 1 1.578 0.017 A 38 ARG C C 13 172.539 0.006 A 38 ARG CA C 13 55.772 0.132 A 38 ARG CB C 13 33.931 0.067 A 38 ARG CD C 13 43.765 0.022 A 38 ARG CG C 13 27.059 0.071 A 38 ARG N N 15 121.912 0.066 A 38 ARG NE N 15 84.859 0.000 A 39 TRP H H 1 8.927 0.018 A 39 TRP HA H 1 5.610 0.024 A 39 TRP HBy H 1 3.166 0.019 A 39 TRP HBx H 1 3.153 0.017 A 39 TRP HD1 H 1 7.168 0.015 A 39 TRP HE1 H 1 9.434 0.021 A 39 TRP HE3 H 1 7.593 0.014 A 39 TRP HH2 H 1 6.869 0.025 A 39 TRP HZ2 H 1 8.095 0.000 A 39 TRP HZ3 H 1 7.883 0.004 A 39 TRP C C 13 176.663 0.011 A 39 TRP CA C 13 56.096 0.102 A 39 TRP CB C 13 33.121 0.07 A 39 TRP CD1 C 13 127.137 0.104 A 39 TRP CE3 C 13 119.817 0.137 A 39 TRP CH2 C 13 123.354 0.144 A 39 TRP N N 15 122.060 0.039 A 39 TRP NE1 N 15 129.093 0.039 A 40 LEU H H 1 9.864 0.013 A 40 LEU HA H 1 5.124 0.028 A 40 LEU HBx H 1 1.010 0.014 A 40 LEU HBy H 1 1.736 0.019 A 40 LEU HDx% H 1 0.671 0.019 A 40 LEU HDy% H 1 0.639 0.015 A 40 LEU HG H 1 1.374 0.011 A 40 LEU C C 13 176.027 0.007 A 40 LEU CA C 13 53.071 0.126 A 40 LEU CB C 13 44.686 0.077 A 40 LEU CD2 C 13 22.976 0.1 A 40 LEU CG C 13 26.198 0.015 A 40 LEU N N 15 119.255 0.076 A 41 PHE H H 1 9.213 0.015 A 41 PHE HA H 1 5.164 0.02 A 41 PHE HBy H 1 2.778 0.021 A 41 PHE HBx H 1 2.678 0.02 A 41 PHE HD1 H 1 6.282 0.011 A 41 PHE HD2 H 1 6.282 0.011 A 41 PHE HE1 H 1 6.934 0.017 A 41 PHE HE2 H 1 6.934 0.017 A 41 PHE HZ H 1 7.195 0.015 A 41 PHE C C 13 175.445 0.011 A 41 PHE CA C 13 55.033 0.084 A 41 PHE CB C 13 41.618 0.139 A 41 PHE CD1 C 13 130.966 0.097 A 41 PHE CD2 C 13 130.966 0.097 A 41 PHE CE1 C 13 131.045 0.088 A 41 PHE CE2 C 13 131.045 0.088 A 41 PHE N N 15 119.845 0.054 A 42 ASN H H 1 9.486 0.014 A 42 ASN HA H 1 4.188 0.019 A 42 ASN HBy H 1 2.792 0.016 A 42 ASN HBx H 1 2.093 0.011 A 42 ASN HD21 H 1 7.148 0.01 A 42 ASN HD22 H 1 6.492 0.036 A 42 ASN C C 13 175.818 0.05 A 42 ASN CA C 13 53.334 0.073 A 42 ASN CB C 13 36.263 0.086 A 42 ASN CG C 13 176.428 0.016 A 42 ASN N N 15 127.895 0.089 A 42 ASN ND2 N 15 114.082 0.042 A 43 GLY H H 1 8.462 0.012 A 43 GLY HAx H 1 3.434 0.009 A 43 GLY HAy H 1 4.178 0.013 A 43 GLY C C 13 173.612 0.021 A 43 GLY CA C 13 45.756 0.065 A 43 GLY N N 15 129.813 0.243 A 44 SER H H 1 7.722 0.004 A 44 SER HA H 1 4.878 0.021 A 44 SER HBy H 1 3.929 0.011 A 44 SER HBx H 1 3.826 0.012 A 44 SER C C 13 173.135 0.017 A 44 SER CA C 13 56.966 0.127 A 44 SER CB C 13 65.333 0.054 A 44 SER N N 15 116.772 0.062 A 45 VAL H H 1 8.674 0.005 A 45 VAL HA H 1 3.888 0.016 A 45 VAL HB H 1 1.986 0.013 A 45 VAL HGx% H 1 0.941 0.01 A 45 VAL HGy% H 1 1.012 0.016 A 45 VAL C C 13 175.353 0.005 A 45 VAL CA C 13 64.949 0.09 A 45 VAL CB C 13 32.426 0.093 A 45 VAL CGx C 13 20.934 0.064 A 45 VAL CGy C 13 22.254 0.086 A 45 VAL N N 15 124.311 0.054 A 46 LEU H H 1 8.582 0.007 A 46 LEU HA H 1 4.534 0.017 A 46 LEU HBy H 1 1.959 0.015 A 46 LEU HBx H 1 1.218 0.021 A 46 LEU HDx% H 1 0.810 0.009 A 46 LEU HDy% H 1 0.679 0.014 A 46 LEU HG H 1 1.371 0.014 A 46 LEU C C 13 174.806 0.017 A 46 LEU CA C 13 54.151 0.172 A 46 LEU CB C 13 43.146 0.08 A 46 LEU CDx C 13 24.115 0.73 A 46 LEU CDy C 13 26.139 0.144 A 46 LEU CG C 13 27.496 0.107 A 46 LEU N N 15 131.043 0.081 A 47 ASN H H 1 8.666 0.012 A 47 ASN HA H 1 4.856 0.018 A 47 ASN HBy H 1 2.732 0.019 A 47 ASN HBx H 1 2.673 0.012 A 47 ASN HD21 H 1 6.916 0.006 A 47 ASN HD22 H 1 7.620 0.02 A 47 ASN C C 13 174.048 0.001 A 47 ASN CA C 13 52.715 0.142 A 47 ASN CB C 13 39.060 0.088 A 47 ASN CG C 13 176.529 0.007 A 47 ASN N N 15 126.363 0.069 A 47 ASN ND2 N 15 113.723 0.045 A 48 GLU H H 1 8.732 0.007 A 48 GLU HA H 1 4.412 0.02 A 48 GLU HBx H 1 2.008 0.018 A 48 GLU HBy H 1 2.558 0.022 A 48 GLU HGx H 1 2.054 0.008 A 48 GLU HGy H 1 2.656 0.023 A 48 GLU C C 13 177.210 0.001 A 48 GLU CA C 13 57.962 0.118 A 48 GLU CB C 13 30.057 0.095 A 48 GLU CG C 13 38.007 0.049 A 48 GLU N N 15 124.337 0.073 A 49 THR H H 1 9.346 0.01 A 49 THR HA H 1 4.830 0.019 A 49 THR HB H 1 4.731 0.02 A 49 THR HG2% H 1 1.250 0.017 A 49 THR C C 13 175.177 0.018 A 49 THR CA C 13 59.842 0.082 A 49 THR CB C 13 73.639 0.121 A 49 THR CG2 C 13 21.283 0.038 A 49 THR N N 15 114.373 0.071 A 50 SER H H 1 8.512 0.005 A 50 SER HA H 1 4.002 0.014 A 50 SER HBy H 1 3.546 0.012 A 50 SER HBx H 1 3.446 0.015 A 50 SER C C 13 173.796 0.000 A 50 SER CA C 13 60.410 0.08 A 50 SER CB C 13 62.722 0.088 A 50 SER N N 15 112.768 0.047 A 51 PHE H H 1 8.115 0.013 A 51 PHE HA H 1 4.724 0.023 A 51 PHE HBy H 1 3.291 0.01 A 51 PHE HBx H 1 2.809 0.012 A 51 PHE HD1 H 1 7.180 0.019 A 51 PHE HD2 H 1 7.180 0.019 A 51 PHE C C 13 175.638 0.007 A 51 PHE CA C 13 58.132 0.09 A 51 PHE CB C 13 41.162 0.067 A 51 PHE CD1 C 13 131.129 0.086 A 51 PHE CD2 C 13 131.129 0.086 A 51 PHE N N 15 116.167 0.053 A 52 ILE H H 1 7.182 0.008 A 52 ILE HA H 1 5.188 0.011 A 52 ILE HB H 1 1.734 0.014 A 52 ILE HD1% H 1 0.650 0.014 A 52 ILE HG1x H 1 0.671 0.012 A 52 ILE HG1y H 1 1.321 0.019 A 52 ILE HG2% H 1 0.593 0.009 A 52 ILE C C 13 173.166 0.017 A 52 ILE CA C 13 60.955 0.14 A 52 ILE CB C 13 41.163 0.135 A 52 ILE CD1 C 13 14.325 0.138 A 52 ILE CG1 C 13 27.609 0.088 A 52 ILE CG2 C 13 16.592 0.082 A 52 ILE N N 15 122.995 0.041 A 53 PHE H H 1 8.279 0.019 A 53 PHE HA H 1 4.849 0.01 A 53 PHE HBx H 1 2.978 0.025 A 53 PHE HBy H 1 3.832 0.011 A 53 PHE HD1 H 1 6.884 0.016 A 53 PHE HD2 H 1 6.884 0.016 A 53 PHE HE1 H 1 7.088 0.015 A 53 PHE HE2 H 1 7.088 0.015 A 53 PHE C C 13 173.320 0.000 A 53 PHE CA C 13 55.764 0.101 A 53 PHE CB C 13 40.112 0.068 A 53 PHE CD1 C 13 132.572 0.192 A 53 PHE CD2 C 13 132.572 0.192 A 53 PHE N N 15 120.324 0.15 A 54 THR H H 1 8.883 0.005 A 54 THR HA H 1 4.362 0.01 A 54 THR HB H 1 4.238 0.012 A 54 THR HG2% H 1 0.946 0.016 A 54 THR C C 13 173.969 0.000 A 54 THR CA C 13 64.913 0.096 A 54 THR CB C 13 68.433 0.114 A 54 THR CG2 C 13 23.065 0.058 A 54 THR N N 15 119.398 0.085 A 55 GLU H H 1 9.300 0.008 A 55 GLU HA H 1 4.818 0.018 A 55 GLU HBx H 1 1.772 0.017 A 55 GLU HBy H 1 2.008 0.013 A 55 GLU HGy H 1 2.224 0.02 A 55 GLU HGx H 1 2.045 0.014 A 55 GLU C C 13 174.825 0.000 A 55 GLU CA C 13 55.006 0.134 A 55 GLU CB C 13 33.912 0.096 A 55 GLU CG C 13 37.085 0.084 A 55 GLU N N 15 129.549 0.08 A 56 PHE H H 1 9.135 0.013 A 56 PHE HA H 1 4.869 0.026 A 56 PHE HBy H 1 3.320 0.016 A 56 PHE HBx H 1 2.905 0.015 A 56 PHE HD1 H 1 7.365 0.013 A 56 PHE HD2 H 1 7.365 0.013 A 56 PHE HE1 H 1 6.172 0.014 A 56 PHE HE2 H 1 6.172 0.014 A 56 PHE HZ H 1 6.976 0.019 A 56 PHE C C 13 176.847 0.006 A 56 PHE CA C 13 59.021 0.112 A 56 PHE CB C 13 41.263 0.087 A 56 PHE CD1 C 13 130.983 0.224 A 56 PHE CD2 C 13 130.983 0.224 A 56 PHE CE1 C 13 128.644 0.163 A 56 PHE CE2 C 13 128.644 0.163 A 56 PHE CZ C 13 129.829 0.138 A 56 PHE N N 15 124.622 0.074 A 57 LEU H H 1 8.795 0.015 A 57 LEU HA H 1 4.540 0.014 A 57 LEU HBx H 1 1.542 0.019 A 57 LEU HBy H 1 1.595 0.015 A 57 LEU HDx% H 1 0.836 0.018 A 57 LEU HDy% H 1 0.812 0.01 A 57 LEU HG H 1 1.518 0.009 A 57 LEU C C 13 177.586 0.009 A 57 LEU CA C 13 54.302 0.111 A 57 LEU CB C 13 42.421 0.098 A 57 LEU CDy C 13 25.272 0.059 A 57 LEU CDx C 13 23.175 0.085 A 57 LEU CG C 13 28.026 0.12 A 57 LEU N N 15 123.217 0.065 A 58 GLU H H 1 8.670 0.006 A 58 GLU HA H 1 4.440 0.005 A 58 GLU HB2 H 1 2.000 0.007 A 58 GLU HB3 H 1 2.000 0.008 A 58 GLU HGy H 1 2.386 0.006 A 58 GLU HGx H 1 2.383 0.008 A 58 GLU C C 13 174.890 0.000 A 58 GLU CA C 13 55.334 0.149 A 58 GLU CB C 13 29.474 0.058 A 58 GLU CG C 13 35.962 0.042 A 58 GLU N N 15 123.868 0.118 A 59 PRO HA H 1 4.567 0.011 A 59 PRO HBx H 1 2.021 0.012 A 59 PRO HBy H 1 2.309 0.014 A 59 PRO HDx H 1 3.719 0.012 A 59 PRO HDy H 1 3.904 0.012 A 59 PRO HGx H 1 2.011 0.01 A 59 PRO HGy H 1 2.012 0.01 A 59 PRO C C 13 176.634 0.017 A 59 PRO CA C 13 62.935 0.084 A 59 PRO CB C 13 32.672 0.078 A 59 PRO CD C 13 50.921 0.126 A 59 PRO CG C 13 27.356 0.08 A 60 ALA H H 1 8.697 0.005 A 60 ALA HA H 1 4.459 0.019 A 60 ALA HB% H 1 1.405 0.013 A 60 ALA C C 13 177.595 0.006 A 60 ALA CA C 13 51.511 0.135 A 60 ALA CB C 13 20.064 0.116 A 60 ALA N N 15 125.365 0.066 A 61 ALA H H 1 8.568 0.011 A 61 ALA HA H 1 4.165 0.015 A 61 ALA HB% H 1 1.371 0.013 A 61 ALA C C 13 177.807 0.012 A 61 ALA CA C 13 53.348 0.088 A 61 ALA CB C 13 18.891 0.112 A 61 ALA N N 15 123.210 0.097 A 62 ASN H H 1 8.599 0.014 A 62 ASN HA H 1 4.555 0.013 A 62 ASN HBy H 1 2.928 0.012 A 62 ASN HBx H 1 2.927 0.012 A 62 ASN HD21 H 1 6.910 0.002 A 62 ASN HD22 H 1 7.624 0.001 A 62 ASN C C 13 174.215 0.000 A 62 ASN CA C 13 53.998 0.208 A 62 ASN CB C 13 38.000 0.079 A 62 ASN CG C 13 178.161 0.013 A 62 ASN N N 15 114.594 0.056 A 62 ASN ND2 N 15 113.521 0.009 A 63 GLU H H 1 7.833 0.006 A 63 GLU HA H 1 4.714 0.013 A 63 GLU HBy H 1 2.182 0.015 A 63 GLU HBx H 1 2.027 0.017 A 63 GLU HGx H 1 2.294 0.013 A 63 GLU HGy H 1 2.304 0.005 A 63 GLU C C 13 176.382 0.014 A 63 GLU CA C 13 55.623 0.11 A 63 GLU CB C 13 31.934 0.079 A 63 GLU CG C 13 35.839 0.029 A 63 GLU N N 15 118.309 0.053 A 64 THR H H 1 8.696 0.012 A 64 THR HA H 1 4.361 0.012 A 64 THR HB H 1 4.407 0.002 A 64 THR HG2% H 1 1.211 0.02 A 64 THR C C 13 175.523 0.012 A 64 THR CA C 13 62.817 0.122 A 64 THR CB C 13 68.469 0.085 A 64 THR CG2 C 13 22.155 0.016 A 64 THR N N 15 112.141 0.053 A 65 VAL H H 1 7.366 0.008 A 65 VAL HA H 1 4.166 0.014 A 65 VAL HB H 1 1.977 0.017 A 65 VAL HGx% H 1 0.749 0.014 A 65 VAL HGy% H 1 0.739 0.014 A 65 VAL C C 13 174.126 0.003 A 65 VAL CA C 13 61.889 0.081 A 65 VAL CB C 13 31.993 0.155 A 65 VAL CGy C 13 22.306 0.074 A 65 VAL CGx C 13 20.448 0.079 A 65 VAL N N 15 124.293 0.072 A 66 ARG H H 1 8.795 0.01 A 66 ARG HA H 1 4.795 0.018 A 66 ARG HBy H 1 1.905 0.017 A 66 ARG HBx H 1 1.902 0.017 A 66 ARG HDx H 1 2.976 0.015 A 66 ARG HDy H 1 3.166 0.01 A 66 ARG HE H 1 7.349 0.012 A 66 ARG HGy H 1 1.776 0.015 A 66 ARG HGx H 1 1.663 0.011 A 66 ARG C C 13 174.494 0.014 A 66 ARG CA C 13 54.013 0.188 A 66 ARG CB C 13 33.447 0.085 A 66 ARG CD C 13 43.286 0.044 A 66 ARG CG C 13 26.879 0.072 A 66 ARG N N 15 125.575 0.06 A 66 ARG NE N 15 84.266 0.044 A 67 HIS H H 1 9.071 0.015 A 67 HIS HA H 1 5.395 0.023 A 67 HIS HBx H 1 2.856 0.016 A 67 HIS HBy H 1 3.191 0.022 A 67 HIS HD2 H 1 7.171 0.006 A 67 HIS HE1 H 1 8.005 0.022 A 67 HIS C C 13 174.806 0.005 A 67 HIS CA C 13 53.760 0.109 A 67 HIS CB C 13 33.440 0.095 A 67 HIS CD2 C 13 119.503 0.065 A 67 HIS CE1 C 13 137.161 0.04 A 67 HIS N N 15 120.641 0.054 A 68 GLY H H 1 7.446 0.007 A 68 GLY HAy H 1 3.907 0.02 A 68 GLY HAx H 1 3.670 0.016 A 68 GLY C C 13 172.233 0.012 A 68 GLY CA C 13 46.342 0.098 A 68 GLY N N 15 106.583 0.098 A 69 CYS H H 1 8.830 0.015 A 69 CYS HA H 1 5.544 0.014 A 69 CYS HBy H 1 2.855 0.02 A 69 CYS HBx H 1 2.703 0.024 A 69 CYS C C 13 176.559 0.004 A 69 CYS CA C 13 55.075 0.065 A 69 CYS CB C 13 47.541 0.073 A 69 CYS N N 15 117.702 0.071 A 70 LEU H H 1 8.938 0.015 A 70 LEU HA H 1 4.247 0.017 A 70 LEU HBx H 1 0.213 0.027 A 70 LEU HBy H 1 1.067 0.021 A 70 LEU HDx% H 1 -0.541 0.009 A 70 LEU HDy% H 1 -0.267 0.013 A 70 LEU HG H 1 0.419 0.022 A 70 LEU C C 13 174.211 0.000 A 70 LEU CA C 13 56.880 0.078 A 70 LEU CB C 13 39.650 0.08 A 70 LEU CDy C 13 26.345 0.056 A 70 LEU CDx C 13 20.418 0.102 A 70 LEU CG C 13 26.261 0.021 A 70 LEU N N 15 124.148 0.063 A 71 ARG H H 1 9.000 0.008 A 71 ARG HA H 1 4.751 0.022 A 71 ARG HB2 H 1 1.437 0.008 A 71 ARG HD2 H 1 2.574 0.003 A 71 ARG HE H 1 7.306 0.000 A 71 ARG HGx H 1 0.735 0.000 A 71 ARG HGy H 1 0.824 0.025 A 71 ARG C C 13 173.992 0.002 A 71 ARG CA C 13 54.316 0.145 A 71 ARG CB C 13 30.089 0.021 A 71 ARG CD C 13 43.706 0.000 A 71 ARG CG C 13 25.826 0.000 A 71 ARG N N 15 132.525 0.174 A 71 ARG NE N 15 84.621 0.000 A 72 LEU H H 1 8.048 0.024 A 72 LEU HA H 1 4.994 0.012 A 72 LEU HBy H 1 1.137 0.033 A 72 LEU HBx H 1 0.987 0.016 A 72 LEU HDx% H 1 0.416 0.01 A 72 LEU HDy% H 1 0.085 0.012 A 72 LEU HG H 1 1.176 0.036 A 72 LEU C C 13 176.014 0.017 A 72 LEU CA C 13 54.982 0.137 A 72 LEU CB C 13 42.423 0.134 A 72 LEU CDx C 13 25.763 0.066 A 72 LEU CDy C 13 27.033 0.076 A 72 LEU CG C 13 28.901 0.058 A 72 LEU N N 15 122.806 0.084 A 73 ASN H H 1 8.450 0.011 A 73 ASN HA H 1 4.828 0.009 A 73 ASN HBx H 1 2.712 0.013 A 73 ASN HBy H 1 3.008 0.021 A 73 ASN HD21 H 1 6.954 0.018 A 73 ASN HD22 H 1 7.421 0.007 A 73 ASN C C 13 176.134 0.031 A 73 ASN CA C 13 54.261 0.089 A 73 ASN CB C 13 39.278 0.064 A 73 ASN CG C 13 174.499 0.031 A 73 ASN N N 15 121.616 0.052 A 73 ASN ND2 N 15 109.419 0.026 A 74 GLN H H 1 6.682 0.000 A 74 GLN HA H 1 4.485 0.015 A 74 GLN HBx H 1 1.898 0.009 A 74 GLN HBy H 1 2.075 0.012 A 74 GLN HE21 H 1 6.701 0.012 A 74 GLN HE22 H 1 7.407 0.012 A 74 GLN HGy H 1 2.250 0.011 A 74 GLN HGx H 1 2.164 0.016 A 74 GLN C C 13 171.238 0.000 A 74 GLN CA C 13 54.902 0.088 A 74 GLN CB C 13 28.881 0.073 A 74 GLN CD C 13 181.127 0.005 A 74 GLN CG C 13 34.218 0.022 A 74 GLN N N 15 118.968 0.072 A 74 GLN NE2 N 15 111.978 0.216 A 75 PRO HA H 1 4.216 0.01 A 75 PRO C C 13 176.391 0.016 A 75 PRO CA C 13 62.736 0.07 A 75 PRO CB C 13 31.984 0.153 A 76 THR H H 1 8.402 0.008 A 76 THR HA H 1 4.799 0.028 A 76 THR HB H 1 4.494 0.012 A 76 THR HG2% H 1 1.107 0.014 A 76 THR C C 13 175.442 0.000 A 76 THR CA C 13 59.696 0.079 A 76 THR CB C 13 71.924 0.11 A 76 THR CG2 C 13 21.518 0.044 A 76 THR N N 15 109.140 0.061 A 77 HIS H H 1 8.402 0.009 A 77 HIS HA H 1 4.469 0.017 A 77 HIS HBy H 1 3.251 0.014 A 77 HIS HBx H 1 2.963 0.016 A 77 HIS HD2 H 1 7.072 0.006 A 77 HIS HE1 H 1 7.815 0.009 A 77 HIS C C 13 178.171 0.025 A 77 HIS CA C 13 58.662 0.082 A 77 HIS CB C 13 29.706 0.112 A 77 HIS CD2 C 13 118.801 0.147 A 77 HIS CE1 C 13 138.428 0.17 A 77 HIS N N 15 117.856 0.061 A 78 VAL H H 1 6.881 0.011 A 78 VAL HA H 1 3.928 0.01 A 78 VAL HB H 1 1.931 0.012 A 78 VAL HGx% H 1 0.629 0.011 A 78 VAL HGy% H 1 0.583 0.011 A 78 VAL C C 13 176.662 0.02 A 78 VAL CA C 13 63.564 0.082 A 78 VAL CB C 13 30.726 0.092 A 78 VAL CGy C 13 20.789 0.097 A 78 VAL CGx C 13 19.567 0.081 A 78 VAL N N 15 117.212 0.071 A 79 ASN H H 1 7.884 0.011 A 79 ASN HA H 1 4.464 0.014 A 79 ASN HBy H 1 2.541 0.016 A 79 ASN HBx H 1 2.305 0.014 A 79 ASN HD21 H 1 6.695 0.013 A 79 ASN HD22 H 1 7.703 0.012 A 79 ASN C C 13 174.244 0.008 A 79 ASN CA C 13 54.021 0.122 A 79 ASN CB C 13 39.748 0.106 A 79 ASN CG C 13 176.334 0.02 A 79 ASN N N 15 115.130 0.071 A 79 ASN ND2 N 15 108.382 0.063 A 80 ASN H H 1 7.804 0.005 A 80 ASN HA H 1 5.062 0.018 A 80 ASN HBx H 1 3.011 0.013 A 80 ASN HBy H 1 3.249 0.02 A 80 ASN HD21 H 1 7.693 0.009 A 80 ASN HD22 H 1 7.450 0.008 A 80 ASN C C 13 175.376 0.005 A 80 ASN CA C 13 53.643 0.112 A 80 ASN CB C 13 37.749 0.067 A 80 ASN CG C 13 175.869 0.018 A 80 ASN N N 15 122.735 0.037 A 80 ASN ND2 N 15 109.530 0.082 A 81 GLY H H 1 8.987 0.009 A 81 GLY HAx H 1 3.889 0.015 A 81 GLY HAy H 1 4.485 0.017 A 81 GLY C C 13 170.390 0.007 A 81 GLY CA C 13 45.981 0.077 A 81 GLY N N 15 109.167 0.077 A 82 ASN H H 1 8.060 0.014 A 82 ASN HA H 1 5.374 0.018 A 82 ASN HBx H 1 2.610 0.019 A 82 ASN HBy H 1 2.623 0.012 A 82 ASN HD21 H 1 6.373 0.017 A 82 ASN HD22 H 1 7.052 0.008 A 82 ASN C C 13 175.268 0.03 A 82 ASN CA C 13 52.853 0.119 A 82 ASN CB C 13 40.914 0.085 A 82 ASN CG C 13 175.155 0.01 A 82 ASN N N 15 119.295 0.063 A 82 ASN ND2 N 15 110.207 0.023 A 83 TYR H H 1 9.732 0.007 A 83 TYR HA H 1 5.446 0.014 A 83 TYR HBx H 1 3.027 0.019 A 83 TYR HBy H 1 3.178 0.016 A 83 TYR HD1 H 1 7.106 0.016 A 83 TYR HD2 H 1 7.106 0.016 A 83 TYR HE1 H 1 6.622 0.019 A 83 TYR HE2 H 1 6.622 0.019 A 83 TYR C C 13 174.718 0.015 A 83 TYR CA C 13 58.367 0.083 A 83 TYR CB C 13 40.888 0.09 A 83 TYR CD1 C 13 132.882 0.123 A 83 TYR CD2 C 13 132.882 0.123 A 83 TYR CE1 C 13 117.205 0.075 A 83 TYR CE2 C 13 117.205 0.075 A 83 TYR N N 15 129.569 0.118 A 84 THR H H 1 9.277 0.007 A 84 THR HA H 1 5.364 0.011 A 84 THR HB H 1 3.753 0.015 A 84 THR HG2% H 1 0.993 0.033 A 84 THR C C 13 171.959 0.000 A 84 THR CA C 13 60.765 0.108 A 84 THR CB C 13 72.278 0.093 A 84 THR N N 15 118.751 0.101 A 85 LEU H H 1 8.787 0.011 A 85 LEU HA H 1 4.147 0.022 A 85 LEU HBy H 1 1.129 0.021 A 85 LEU HBx H 1 0.098 0.011 A 85 LEU HDx% H 1 -0.739 0.011 A 85 LEU HDy% H 1 -0.089 0.01 A 85 LEU HG H 1 0.543 0.011 A 85 LEU C C 13 173.352 0.009 A 85 LEU CA C 13 53.258 0.083 A 85 LEU CB C 13 43.256 0.106 A 85 LEU CDx C 13 20.287 0.087 A 85 LEU CDy C 13 26.520 0.081 A 85 LEU CG C 13 26.411 0.056 A 85 LEU N N 15 128.727 0.072 A 86 LEU H H 1 8.635 0.007 A 86 LEU HA H 1 4.776 0.023 A 86 LEU HBx H 1 1.112 0.014 A 86 LEU HBy H 1 1.580 0.013 A 86 LEU HDx% H 1 0.699 0.015 A 86 LEU HDy% H 1 0.656 0.009 A 86 LEU HG H 1 1.352 0.013 A 86 LEU C C 13 175.399 0.000 A 86 LEU CA C 13 53.091 0.08 A 86 LEU CB C 13 43.623 0.06 A 86 LEU CDy C 13 25.558 0.042 A 86 LEU CDx C 13 24.298 0.091 A 86 LEU CG C 13 26.957 0.085 A 86 LEU N N 15 124.942 0.07 A 87 ALA H H 1 8.791 0.011 A 87 ALA HA H 1 5.373 0.014 A 87 ALA HB% H 1 0.871 0.013 A 87 ALA C C 13 175.067 0.000 A 87 ALA CA C 13 49.280 0.094 A 87 ALA CB C 13 22.560 0.068 A 87 ALA N N 15 125.706 0.112 A 88 ALA H H 1 8.378 0.015 A 88 ALA HA H 1 5.261 0.017 A 88 ALA HB% H 1 1.266 0.015 A 88 ALA C C 13 175.373 0.018 A 88 ALA CA C 13 51.090 0.097 A 88 ALA CB C 13 22.595 0.079 A 88 ALA N N 15 123.910 0.051 A 89 ASN H H 1 8.805 0.01 A 89 ASN HA H 1 4.898 0.008 A 89 ASN HBy H 1 3.283 0.016 A 89 ASN HBx H 1 2.455 0.017 A 89 ASN HD21 H 1 7.512 0.018 A 89 ASN HD22 H 1 6.789 0.01 A 89 ASN C C 13 174.063 0.000 A 89 ASN CA C 13 51.393 0.008 A 89 ASN CB C 13 40.884 0.085 A 89 ASN CG C 13 176.107 0.058 A 89 ASN N N 15 125.171 0.1 A 89 ASN ND2 N 15 105.229 0.109 A 90 PRO HA H 1 4.187 0.013 A 90 PRO HBx H 1 1.793 0.014 A 90 PRO HBy H 1 2.344 0.017 A 90 PRO HD3 H 1 3.835 0.002 A 90 PRO HGy H 1 2.038 0.01 A 90 PRO HGx H 1 1.898 0.012 A 90 PRO C C 13 176.861 0.009 A 90 PRO CA C 13 66.475 0.128 A 90 PRO CB C 13 31.450 0.096 A 90 PRO CG C 13 28.299 0.093 A 91 CYS H H 1 7.411 0.014 A 91 CYS HA H 1 4.317 0.01 A 91 CYS HBy H 1 3.582 0.024 A 91 CYS HBx H 1 3.365 0.021 A 91 CYS C C 13 174.398 0.005 A 91 CYS CA C 13 57.462 0.091 A 91 CYS CB C 13 41.648 0.142 A 91 CYS N N 15 112.828 0.102 A 92 GLY H H 1 8.091 0.006 A 92 GLY HAy H 1 4.400 0.017 A 92 GLY HAx H 1 3.893 0.013 A 92 GLY C C 13 171.254 0.038 A 92 GLY CA C 13 45.071 0.085 A 92 GLY N N 15 107.752 0.073 A 93 GLN H H 1 8.456 0.012 A 93 GLN HA H 1 5.239 0.018 A 93 GLN HBx H 1 1.922 0.008 A 93 GLN HBy H 1 1.987 0.018 A 93 GLN HE21 H 1 7.552 0.007 A 93 GLN HE22 H 1 6.795 0.003 A 93 GLN HGy H 1 2.123 0.018 A 93 GLN HGx H 1 2.007 0.018 A 93 GLN C C 13 174.803 0.011 A 93 GLN CA C 13 54.355 0.104 A 93 GLN CB C 13 32.716 0.092 A 93 GLN CD C 13 180.123 0.006 A 93 GLN CG C 13 35.247 0.083 A 93 GLN N N 15 118.831 0.096 A 93 GLN NE2 N 15 112.410 0.018 A 94 ALA H H 1 9.166 0.009 A 94 ALA HA H 1 4.761 0.028 A 94 ALA HB% H 1 1.323 0.01 A 94 ALA C C 13 175.051 0.000 A 94 ALA CA C 13 50.847 0.152 A 94 ALA CB C 13 22.913 0.077 A 94 ALA N N 15 128.990 0.078 A 95 SER H H 1 8.409 0.011 A 95 SER HA H 1 5.624 0.014 A 95 SER HBx H 1 3.481 0.011 A 95 SER HBy H 1 3.629 0.013 A 95 SER C C 13 173.301 0.000 A 95 SER CA C 13 56.722 0.07 A 95 SER CB C 13 67.259 0.069 A 95 SER N N 15 112.491 0.068 A 96 ALA H H 1 8.201 0.019 A 96 ALA HA H 1 4.643 0.006 A 96 ALA HB% H 1 1.391 0.021 A 96 ALA C C 13 174.813 0.022 A 96 ALA CA C 13 51.994 0.134 A 96 ALA CB C 13 23.498 0.097 A 96 ALA N N 15 123.102 0.083 A 97 SER H H 1 8.455 0.009 A 97 SER HA H 1 6.026 0.014 A 97 SER HBx H 1 3.574 0.011 A 97 SER HBy H 1 3.871 0.014 A 97 SER C C 13 173.075 0.014 A 97 SER CA C 13 57.553 0.094 A 97 SER CB C 13 67.163 0.083 A 97 SER N N 15 113.626 0.114 A 98 ILE H H 1 9.448 0.016 A 98 ILE HA H 1 4.574 0.013 A 98 ILE HB H 1 1.684 0.019 A 98 ILE HD1% H 1 0.930 0.019 A 98 ILE HG1y H 1 1.644 0.01 A 98 ILE HG1x H 1 1.376 0.014 A 98 ILE HG2% H 1 0.979 0.022 A 98 ILE C C 13 172.510 0.011 A 98 ILE CA C 13 59.782 0.153 A 98 ILE CB C 13 43.829 0.083 A 98 ILE CD1 C 13 15.408 0.072 A 98 ILE CG1 C 13 28.628 0.081 A 98 ILE CG2 C 13 18.772 0.03 A 98 ILE N N 15 123.479 0.116 A 99 MET H H 1 8.126 0.009 A 99 MET HA H 1 5.262 0.022 A 99 MET HBx H 1 1.982 0.017 A 99 MET HBy H 1 2.546 0.007 A 99 MET HE% H 1 2.006 0.008 A 99 MET HGx H 1 2.549 0.02 A 99 MET HGy H 1 2.550 0.02 A 99 MET C C 13 176.124 0.005 A 99 MET CA C 13 54.095 0.205 A 99 MET CB C 13 32.299 0.103 A 99 MET CE C 13 16.514 0.013 A 99 MET N N 15 123.980 0.038 A 100 ALA H H 1 9.295 0.011 A 100 ALA HA H 1 4.578 0.019 A 100 ALA HB% H 1 1.047 0.015 A 100 ALA C C 13 174.843 0.002 A 100 ALA CA C 13 51.435 0.168 A 100 ALA CB C 13 23.342 0.123 A 100 ALA N N 15 127.355 0.046 A 101 ALA H H 1 7.804 0.009 A 101 ALA HA H 1 4.203 0.011 A 101 ALA HB% H 1 1.090 0.009 A 101 ALA C C 13 175.036 0.032 A 101 ALA CA C 13 50.621 0.133 A 101 ALA CB C 13 21.196 0.099 A 101 ALA N N 15 124.661 0.124 A 102 PHE H H 1 8.274 0.008 A 102 PHE HA H 1 3.601 0.016 A 102 PHE HBx H 1 2.011 0.027 A 102 PHE HBy H 1 2.114 0.02 A 102 PHE HD1 H 1 5.863 0.018 A 102 PHE HD2 H 1 5.863 0.018 A 102 PHE HE1 H 1 6.768 0.018 A 102 PHE HE2 H 1 6.768 0.018 A 102 PHE HZ H 1 7.416 0.008 A 102 PHE C C 13 174.845 0.000 A 102 PHE CA C 13 58.091 0.079 A 102 PHE CB C 13 40.461 0.133 A 102 PHE CD1 C 13 131.087 0.105 A 102 PHE CD2 C 13 131.087 0.105 A 102 PHE CE1 C 13 129.798 0.041 A 102 PHE CE2 C 13 129.798 0.041 A 102 PHE N N 15 120.123 0.12 A 103 MET H H 1 7.406 0.016 A 103 MET HA H 1 4.536 0.017 A 103 MET HBx H 1 1.916 0.011 A 103 MET HBy H 1 2.120 0.018 A 103 MET HE% H 1 1.094 0.002 A 103 MET HG2 H 1 2.488 0.013 A 103 MET HG3 H 1 2.487 0.013 A 103 MET C C 13 174.713 0.001 A 103 MET CA C 13 54.564 0.15 A 103 MET CB C 13 35.165 0.073 A 103 MET CG C 13 31.623 0.043 A 103 MET N N 15 115.775 0.071 A 104 ASP H H 1 8.619 0.005 A 104 ASP HA H 1 4.524 0.015 A 104 ASP HBy H 1 2.611 0.014 A 104 ASP HBx H 1 2.464 0.01 A 104 ASP C C 13 175.796 0.003 A 104 ASP CA C 13 53.312 0.000 A 104 ASP CB C 13 41.130 0.089 A 104 ASP N N 15 122.413 0.071 A 105 ASN H H 1 8.527 0.009 A 105 ASN HA H 1 4.541 0.011 A 105 ASN HBy H 1 2.558 0.012 A 105 ASN HBx H 1 2.505 0.017 A 105 ASN HD21 H 1 6.845 0.003 A 105 ASN HD22 H 1 7.547 0.005 A 105 ASN C C 13 174.018 0.000 A 105 ASN CA C 13 51.375 0.132 A 105 ASN CB C 13 38.611 0.029 A 105 ASN CG C 13 176.280 0.016 A 105 ASN N N 15 120.284 0.116 A 105 ASN ND2 N 15 112.645 0.043 A 106 PRO HA H 1 4.290 0.01 A 106 PRO HBy H 1 1.977 0.012 A 106 PRO HBx H 1 1.728 0.011 A 106 PRO HDx H 1 3.166 0.023 A 106 PRO HDy H 1 3.215 0.02 A 106 PRO HGy H 1 1.623 0.004 A 106 PRO HGx H 1 1.489 0.015 A 106 PRO C C 13 175.367 0.002 A 106 PRO CA C 13 63.307 0.104 A 106 PRO CB C 13 31.668 0.09 A 106 PRO CD C 13 50.136 0.043 A 106 PRO CG C 13 26.674 0.065 A 107 PHE H H 1 7.428 0.007 A 107 PHE HA H 1 4.355 0.016 A 107 PHE HBx H 1 2.957 0.011 A 107 PHE HBy H 1 3.135 0.042 A 107 PHE HD1 H 1 7.203 0.01 A 107 PHE HD2 H 1 7.203 0.01 A 107 PHE HE1 H 1 7.070 0.000 A 107 PHE HE2 H 1 7.070 0.000 A 107 PHE C C 13 180.104 0.000 A 107 PHE CA C 13 58.871 0.084 A 107 PHE CB C 13 40.118 0.08 A 107 PHE CD1 C 13 131.501 0.145 A 107 PHE CD2 C 13 131.501 0.145 A 107 PHE N N 15 124.060 0.097 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 37 LEU HBx A 37 LEU HDx% 1.0 1.704 3.218 2 2 A 37 LEU HBx A 37 LEU HDy% 1.0 1.900 4.312 3 3 A 37 LEU HBx A 37 LEU HBy 1.0 1.406 2.236 4 4 A 8 PHE HBy A 8 PHE HA 1.0 1.911 4.399 5 5 A 8 PHE HA A 8 PHE HBx 1.0 1.918 4.464 6 6 A 19 GLU HBy A 19 GLU HBx 1.0 1.649 2.997 7 7 A 27 PHE HA A 27 PHE HBy 1.0 1.771 3.521 8 8 A 27 PHE HA A 14 LEU HDy% 1.0 1.912 4.408 9 9 A 34 ALA H A 33 PRO HBx 1.0 1.999 6.209 10 10 A 39 TRP HBx A 39 TRP H 1.0 1.922 4.496 11 11 A 57 LEU H A 57 LEU HDy% 1.0 1.934 4.606 12 12 A 46 LEU HA A 46 LEU HDx% 1.0 1.578 2.748 13 13 A 57 LEU HDy% A 68 GLY HAx 1.0 1.810 3.722 14 14 A 57 LEU HDy% A 68 GLY HAy 1.0 2.000 6.010 15 15 A 57 LEU HDy% A 57 LEU HBy 1.0 1.517 2.553 16 16 A 56 PHE HBy A 56 PHE HA 1.0 1.920 4.482 17 17 A 56 PHE HA A 56 PHE HBx 1.0 1.986 5.362 18 18 A 107 PHE HBx A 107 PHE H 1.0 1.980 5.218 19 19 A 105 ASN HBy A 105 ASN H 1.0 1.961 4.915 20 20 A 105 ASN HBx A 105 ASN HA 1.0 1.814 3.746 21 21 A 105 ASN HBy A 105 ASN HA 1.0 1.729 3.327 22 22 A 105 ASN HBx A 105 ASN HD21 1.0 1.989 5.419 23 23 A 105 ASN HBy A 105 ASN HD21 1.0 1.880 4.160 24 24 A 105 ASN HBx A 105 ASN HD22 1.0 1.995 6.417 25 25 A 105 ASN HBy A 105 ASN HD22 1.0 1.999 6.203 26 26 A 105 ASN H A 104 ASP HBx 1.0 1.974 6.938 27 27 A 104 ASP HBx A 104 ASP H 1.0 1.997 5.677 28 28 A 105 ASN H A 104 ASP HBy 1.0 1.922 7.658 29 29 A 104 ASP HBy A 104 ASP HA 1.0 1.833 3.853 30 30 A 104 ASP HBx A 104 ASP HA 1.0 1.637 2.957 31 31 A 102 PHE HA A 102 PHE HD1 1.0 1.954 4.830 32 32 A 102 PHE HA A 102 PHE H 1.0 1.859 4.017 33 33 A 102 PHE HD1 A 102 PHE HBy 1.0 1.987 5.377 34 34 A 98 ILE HB A 98 ILE HA 1.0 1.805 3.697 35 35 A 98 ILE HB A 98 ILE HG1y 1.0 1.760 3.472 36 36 A 98 ILE HG1y A 98 ILE HG1x 1.0 1.262 1.878 37 37 A 98 ILE HA A 98 ILE HG1y 1.0 1.766 3.498 38 38 A 98 ILE HA A 98 ILE HG1x 1.0 1.982 5.256 39 39 A 98 ILE HG1x A 99 MET H 1.0 2.000 5.934 40 40 A 98 ILE HA A 98 ILE HG2% 1.0 1.850 3.960 41 41 A 99 MET H A 98 ILE HD1% 1.0 1.752 3.430 42 42 A 98 ILE HD1% A 17 ALA H 1.0 1.800 3.670 43 43 A 98 ILE HA A 98 ILE HD1% 1.0 1.770 3.516 44 44 A 98 ILE HG1x A 98 ILE HD1% 1.0 1.352 2.096 45 45 A 93 GLN HGx A 93 GLN HA 1.0 1.975 5.131 46 46 A 93 GLN HA A 93 GLN HGy 1.0 1.845 3.931 47 47 A 93 GLN HGx A 94 ALA H 1.0 1.945 4.731 48 48 A 93 GLN HGy A 88 ALA HB% 1.0 1.839 3.889 49 49 A 93 GLN HGx A 93 GLN HE22 1.0 1.909 4.379 50 50 A 93 GLN HGy A 93 GLN HE22 1.0 1.961 4.929 51 51 A 93 GLN HGx A 93 GLN HE21 1.0 1.991 6.565 52 52 A 93 GLN HGy A 93 GLN HE21 1.0 1.948 7.338 53 53 A 89 ASN HBx A 89 ASN HA 1.0 1.924 4.520 54 54 A 89 ASN HA A 89 ASN HBy 1.0 1.902 4.330 55 55 A 86 LEU HBy A 86 LEU HBx 1.0 1.423 2.279 56 56 A 86 LEU HBx A 86 LEU HG 1.0 1.863 3.253 57 57 A 89 ASN HBx A 89 ASN H 1.0 1.951 4.795 58 58 A 47 ASN HBx A 47 ASN HA 1.0 1.891 4.243 59 59 A 47 ASN HA A 47 ASN HBy 1.0 1.872 4.102 60 60 A 47 ASN HBy A 47 ASN HD22 1.0 1.753 9.053 61 61 A 47 ASN HBy A 47 ASN H 1.0 1.946 4.744 62 62 A 13 GLN HBy A 13 GLN HA 1.0 1.909 4.389 63 63 A 13 GLN HBy A 14 LEU H 1.0 1.997 6.277 64 64 A 14 LEU H A 13 GLN HGx 1.0 1.930 7.558 65 65 A 13 GLN HA A 13 GLN HGx 1.0 1.847 3.943 66 66 A 21 HIS HA A 21 HIS HBy 1.0 1.799 3.669 67 67 A 32 GLN HBx A 32 GLN HA 1.0 1.888 4.220 68 68 A 32 GLN HA A 32 GLN HBy 1.0 1.897 4.285 69 69 A 32 GLN HBx A 8 PHE HD2 1.0 1.994 6.468 70 69 A 32 GLN HBx A 8 PHE HD1 1.0 1.994 6.468 71 70 A 32 GLN HGx A 32 GLN HE21 1.0 1.789 3.613 72 71 A 32 GLN HA A 32 GLN HGx 1.0 1.778 3.558 73 72 A 32 GLN HBy A 32 GLN HGx 1.0 1.869 4.087 74 73 A 32 GLN HBx A 32 GLN HGx 1.0 1.685 3.141 75 74 A 8 PHE HD2 A 32 GLN HGx 1.0 1.887 8.009 76 74 A 8 PHE HD1 A 32 GLN HGx 1.0 1.887 8.009 77 75 A 32 GLN HGx A 32 GLN HE22 1.0 1.981 6.797 78 76 A 33 PRO HBx A 33 PRO HDx 1.0 1.986 5.354 79 77 A 33 PRO HBy A 33 PRO HDy 1.0 1.997 6.323 80 78 A 33 PRO HBx A 33 PRO HDy 1.0 1.981 5.245 81 79 A 33 PRO HDx A 33 PRO HBy 1.0 2.000 6.090 82 80 A 33 PRO HBx A 33 PRO HGy 1.0 1.740 3.374 83 81 A 33 PRO HBy A 33 PRO HGy 1.0 1.725 3.309 84 82 A 33 PRO HBx A 33 PRO HGx 1.0 1.748 3.412 85 83 A 33 PRO HDx A 33 PRO HGy 1.0 1.660 3.040 86 84 A 33 PRO HDy A 33 PRO HGx 1.0 1.614 2.870 87 85 A 33 PRO HDy A 33 PRO HGy 1.0 1.829 3.829 88 86 A 33 PRO HDx A 33 PRO HDy 1.0 1.412 2.248 89 87 A 61 ALA H A 60 ALA HB% 1.0 1.766 3.500 90 88 A 60 ALA HB% A 60 ALA H 1.0 1.498 2.494 91 89 A 60 ALA HB% A 60 ALA HA 1.0 1.398 2.212 92 90 A 35 PRO HBy A 36 SER HA 1.0 1.993 5.553 93 91 A 36 SER HA A 35 PRO HBx 1.0 1.954 7.252 94 92 A 38 ARG HDy A 38 ARG HA 1.0 1.898 7.906 95 93 A 38 ARG HDy A 38 ARG HBy 1.0 1.936 4.636 96 94 A 38 ARG HDy A 38 ARG HGy 1.0 1.612 2.864 97 95 A 62 ASN HBx A 62 ASN HA 1.0 1.716 3.268 98 96 A 62 ASN HBx A 62 ASN HD21 1.0 1.989 6.593 99 97 A 62 ASN HBx A 62 ASN HD22 1.0 1.908 4.376 100 98 A 73 ASN HBx A 73 ASN HA 1.0 1.997 6.313 101 99 A 73 ASN HBx A 73 ASN HBy 1.0 1.643 2.977 102 100 A 80 ASN HD22 A 80 ASN HBx 1.0 1.994 6.446 103 101 A 80 ASN HD22 A 80 ASN HBy 1.0 1.961 7.161 104 102 A 80 ASN HBx A 80 ASN HD21 1.0 1.912 4.416 105 103 A 74 GLN HBy A 74 GLN HA 1.0 1.829 3.829 106 104 A 74 GLN HA A 74 GLN HBx 1.0 1.902 4.322 107 105 A 74 GLN HBy A 74 GLN HGx 1.0 1.766 3.500 108 106 A 74 GLN HBx A 74 GLN HGx 1.0 1.857 4.005 109 107 A 74 GLN HBx A 74 GLN HGy 1.0 1.749 3.415 110 108 A 74 GLN HBy A 74 GLN HGy 1.0 1.870 4.092 111 109 A 19 GLU HBy A 19 GLU HA 1.0 1.973 5.091 112 110 A 22 HIS HBx A 22 HIS HA 1.0 1.998 5.776 113 111 A 22 HIS HA A 22 HIS HBy 1.0 1.977 5.163 114 112 A 52 ILE HB A 52 ILE HD1% 1.0 1.608 2.850 115 113 A 52 ILE HD1% A 52 ILE HA 1.0 1.987 5.369 116 114 A 52 ILE HD1% A 48 GLU HA 1.0 1.996 5.634 117 115 A 52 ILE HD1% A 52 ILE HG1x 1.0 1.461 2.387 118 116 A 51 PHE HBx A 51 PHE HA 1.0 1.993 5.523 119 117 A 29 VAL HA A 29 VAL HGx% 1.0 1.792 3.628 120 118 A 29 VAL HA A 29 VAL HGy% 1.0 1.583 2.763 121 119 A 90 PRO HGy A 90 PRO HA 1.0 1.906 7.828 122 120 A 48 GLU HA A 48 GLU HBx 1.0 1.921 4.487 123 121 A 48 GLU HBx A 48 GLU H 1.0 1.968 7.034 124 122 A 10 ALA H A 10 ALA HB% 1.0 1.594 2.800 125 123 A 10 ALA HB% A 11 SER H 1.0 1.808 3.714 126 124 A 10 ALA HB% A 10 ALA HA 1.0 1.517 2.553 127 125 A 10 ALA HB% A 31 GLY HAx 1.0 2.469 4.683 128 126 A 10 ALA HB% A 11 SER HA 1.0 1.846 3.930 129 127 A 17 ALA H A 17 ALA HB% 1.0 1.491 2.473 130 128 A 17 ALA HB% A 18 VAL H 1.0 1.846 3.934 131 129 A 17 ALA HB% A 16 THR HA 1.0 1.972 5.080 132 130 A 17 ALA HB% A 18 VAL HA 1.0 1.943 4.713 133 131 A 17 ALA HB% A 17 ALA HA 1.0 1.494 2.480 134 132 A 79 ASN HA A 78 VAL HGy% 1.0 1.904 4.348 135 133 A 17 ALA HB% A 18 VAL HB 1.0 1.998 5.722 136 134 A 34 ALA HA A 34 ALA HB% 1.0 1.372 2.146 137 135 A 34 ALA HB% A 35 PRO HDy 1.0 1.908 4.380 138 136 A 34 ALA H A 34 ALA HB% 1.0 1.478 2.434 139 137 A 34 ALA H A 34 ALA HA 1.0 1.842 3.910 140 138 A 34 ALA HA A 35 PRO HDy 1.0 1.526 2.580 141 139 A 61 ALA HA A 61 ALA HB% 1.0 1.440 2.326 142 140 A 61 ALA H A 61 ALA HA 1.0 1.729 3.327 143 141 A 37 LEU HDy% A 37 LEU H 1.0 1.940 4.668 144 142 A 37 LEU HDy% A 38 ARG H 1.0 1.851 3.967 145 143 A 37 LEU HDy% A 87 ALA HA 1.0 1.620 2.892 146 144 A 37 LEU HDy% A 37 LEU HA 1.0 1.510 2.532 147 145 A 37 LEU HDy% A 36 SER HA 1.0 1.989 6.611 148 146 A 37 LEU HDy% A 37 LEU HBy 1.0 1.421 2.277 149 147 A 38 ARG HDy A 40 LEU HDx% 1.0 2.961 4.677 150 148 A 15 HIS HBx A 15 HIS HBy 1.0 1.658 3.032 151 149 A 21 HIS HBy A 22 HIS H 1.0 2.000 6.130 152 150 A 67 HIS HA A 67 HIS HBx 1.0 1.873 4.109 153 151 A 105 ASN HA A 77 HIS HBy 1.0 1.998 5.766 154 152 A 77 HIS HBy A 77 HIS HBx 1.0 1.557 2.677 155 153 A 24 CYS HBy A 24 CYS HBx 1.0 1.514 2.542 156 154 A 27 PHE HBy A 27 PHE HD2 1.0 1.981 5.235 157 154 A 27 PHE HBy A 27 PHE HD1 1.0 1.981 5.235 158 155 A 53 PHE HA A 53 PHE HD2 1.0 1.935 7.503 159 155 A 53 PHE HD1 A 53 PHE HA 1.0 1.935 7.503 160 156 A 66 ARG HBx A 66 ARG HA 1.0 1.978 5.170 161 157 A 66 ARG HBx A 66 ARG HE 1.0 1.984 5.282 162 158 A 66 ARG HA A 66 ARG HGy 1.0 1.940 4.676 163 159 A 66 ARG HA A 66 ARG HGx 1.0 1.999 5.809 164 160 A 66 ARG HE A 66 ARG HGx 1.0 1.999 6.185 165 161 A 66 ARG HE A 66 ARG HGy 1.0 1.952 4.818 166 162 A 13 GLN HBy A 13 GLN H 1.0 1.873 4.115 167 163 A 66 ARG HBx A 66 ARG HGx 1.0 1.757 3.455 168 164 A 66 ARG HBx A 66 ARG HDy 1.0 1.766 3.498 169 165 A 66 ARG HGx A 66 ARG HDy 1.0 1.803 3.689 170 166 A 66 ARG HGy A 66 ARG HDy 1.0 1.966 4.984 171 167 A 66 ARG HBx A 66 ARG HDx 1.0 1.970 5.052 172 168 A 66 ARG HGx A 66 ARG HDx 1.0 1.825 3.809 173 169 A 66 ARG HGy A 66 ARG HDx 1.0 1.780 3.564 174 170 A 66 ARG HDy A 66 ARG HDx 1.0 1.373 2.147 175 171 A 66 ARG HE A 66 ARG HDx 1.0 1.939 4.665 176 172 A 66 ARG HA A 66 ARG HDx 1.0 1.909 7.793 177 173 A 98 ILE HA A 99 MET HBy 1.0 1.991 6.555 178 174 A 45 VAL HB A 45 VAL HA 1.0 1.782 3.580 179 175 A 98 ILE HD1% A 98 ILE H 1.0 1.998 5.744 180 176 A 13 GLN HGx A 12 VAL HGx% 1.0 1.999 5.791 181 176 A 13 GLN HGx A 12 VAL HGy% 1.0 1.999 5.791 182 177 A 13 GLN HGx A 13 GLN HE22 1.0 1.999 5.915 183 178 A 13 GLN HGx A 13 GLN HE21 1.0 1.815 8.613 184 179 A 27 PHE HA A 27 PHE HBx 1.0 1.979 5.199 185 180 A 14 LEU HDy% A 27 PHE HBx 1.0 1.978 5.172 186 181 A 10 ALA HB% A 89 ASN HD22 1.0 1.956 4.860 187 182 A 42 ASN HA A 42 ASN HBx 1.0 1.810 3.720 188 183 A 42 ASN HA A 42 ASN HBy 1.0 1.983 5.275 189 184 A 42 ASN HBy A 42 ASN HD21 1.0 1.793 3.633 190 185 A 42 ASN HBx A 42 ASN HD21 1.0 1.975 5.129 191 186 A 42 ASN HBx A 42 ASN HD22 1.0 1.958 7.212 192 187 A 42 ASN HBy A 42 ASN HD22 1.0 1.996 5.640 193 188 A 42 ASN HBx A 42 ASN HBy 1.0 1.538 2.614 194 189 A 43 GLY HAy A 43 GLY HAx 1.0 1.544 2.636 195 190 A 43 GLY HAx A 43 GLY H 1.0 1.926 4.534 196 191 A 43 GLY HAy A 43 GLY H 1.0 1.991 5.477 197 192 A 43 GLY HAy A 40 LEU HDy% 1.0 1.995 6.399 198 193 A 43 GLY HAx A 40 LEU HDy% 1.0 2.559 4.717 199 194 A 44 SER HBx A 44 SER H 1.0 1.909 4.387 200 195 A 44 SER HBy A 45 VAL H 1.0 1.950 4.796 201 196 A 44 SER HBx A 45 VAL H 1.0 1.885 4.193 202 197 A 44 SER HBy A 44 SER HA 1.0 1.944 4.714 203 198 A 44 SER HBx A 44 SER HA 1.0 1.792 3.626 204 199 A 44 SER HBx A 44 SER HBy 1.0 1.279 1.919 205 200 A 44 SER HBy A 45 VAL HGy% 1.0 1.924 7.630 206 201 A 45 VAL HA A 45 VAL HGx% 1.0 1.987 3.175 207 202 A 38 ARG HDy A 45 VAL HGx% 1.0 2.643 4.291 208 203 A 45 VAL HGx% A 46 LEU H 1.0 2.033 3.643 209 204 A 45 VAL HA A 45 VAL HGy% 1.0 1.532 2.596 210 205 A 38 ARG HDy A 45 VAL HGy% 1.0 2.392 4.226 211 206 A 44 SER HA A 45 VAL HGx% 1.0 2.448 5.264 212 207 A 45 VAL HGy% A 46 LEU H 1.0 2.266 5.292 213 208 A 45 VAL H A 45 VAL HGy% 1.0 2.328 3.384 214 209 A 40 LEU HDx% A 45 VAL HGy% 1.0 2.254 3.400 215 210 A 46 LEU HBy A 46 LEU HBx 1.0 1.599 2.821 216 211 A 46 LEU HA A 46 LEU HBy 1.0 1.933 4.601 217 212 A 46 LEU H A 46 LEU HBx 1.0 1.971 5.067 218 213 A 46 LEU HDx% A 47 ASN H 1.0 1.920 4.476 219 214 A 46 LEU HDx% A 41 PHE HD2 1.0 1.996 5.682 220 214 A 46 LEU HDx% A 41 PHE HD1 1.0 1.996 5.682 221 215 A 46 LEU HDx% A 46 LEU HBx 1.0 1.845 3.929 222 216 A 46 LEU HDx% A 41 PHE HBx 1.0 1.710 3.244 223 217 A 46 LEU HDx% A 41 PHE HBy 1.0 1.732 3.336 224 218 A 39 TRP HBx A 46 LEU HDx% 1.0 1.947 4.743 225 219 A 46 LEU HDx% A 46 LEU HBy 1.0 1.562 2.692 226 220 A 46 LEU HBx A 46 LEU HDy% 1.0 1.657 3.027 227 221 A 46 LEU HA A 46 LEU HDy% 1.0 2.000 6.000 228 222 A 48 GLU HA A 48 GLU HGx 1.0 1.971 5.055 229 223 A 48 GLU HA A 48 GLU HGy 1.0 1.867 4.071 230 224 A 48 GLU H A 48 GLU HGy 1.0 1.958 7.204 231 225 A 48 GLU HGx A 49 THR H 1.0 1.699 9.407 232 226 A 53 PHE HA A 48 GLU HGx 1.0 1.954 7.254 233 227 A 53 PHE HA A 48 GLU HGy 1.0 1.943 4.709 234 228 A 48 GLU HGx A 48 GLU HGy 1.0 1.621 2.895 235 229 A 48 GLU HBx A 48 GLU HGy 1.0 1.895 4.271 236 230 A 48 GLU HBx A 48 GLU HGx 1.0 1.996 5.614 237 231 A 48 GLU HGx A 48 GLU HBy 1.0 1.795 3.645 238 232 A 56 PHE HBy A 56 PHE HBx 1.0 1.631 2.931 239 233 A 57 LEU HBx A 57 LEU HA 1.0 1.960 4.902 240 234 A 57 LEU HBy A 57 LEU HA 1.0 1.904 4.346 241 235 A 57 LEU HBx A 57 LEU HDx% 1.0 1.808 3.714 242 235 A 57 LEU HDy% A 57 LEU HBx 1.0 1.808 3.714 243 236 A 57 LEU HDy% A 57 LEU HBy 1.0 1.582 2.760 244 236 A 57 LEU HBy A 57 LEU HDx% 1.0 1.582 2.760 245 237 A 57 LEU H A 57 LEU HBx 1.0 1.871 4.095 246 238 A 57 LEU HDy% A 57 LEU HBx 1.0 1.491 2.471 247 239 A 59 PRO HBx A 59 PRO HA 1.0 1.715 3.265 248 240 A 59 PRO HA A 59 PRO HBy 1.0 1.900 4.312 249 241 A 59 PRO HBx A 59 PRO HDx 1.0 1.987 6.643 250 242 A 59 PRO HBy A 59 PRO HDx 1.0 2.000 6.064 251 243 A 59 PRO HBx A 59 PRO HBy 1.0 1.286 1.932 252 244 A 59 PRO HA A 59 PRO HGy 1.0 1.990 6.556 253 245 A 59 PRO HGy A 58 GLU HA 1.0 1.958 7.210 254 246 A 59 PRO HBx A 59 PRO HGy 1.0 1.791 3.619 255 247 A 60 ALA H A 59 PRO HGy 1.0 1.746 9.106 256 248 A 59 PRO HDx A 59 PRO HGy 1.0 1.728 3.322 257 249 A 61 ALA H A 61 ALA HB% 1.0 1.484 2.452 258 250 A 60 ALA HA A 61 ALA HB% 1.0 1.987 5.381 259 251 A 62 ASN HBx A 61 ALA HB% 1.0 1.958 4.882 260 252 A 62 ASN HA A 61 ALA HB% 1.0 1.979 5.193 261 253 A 63 GLU HBx A 63 GLU HGy 1.0 1.846 3.938 262 254 A 63 GLU HBx A 63 GLU HBy 1.0 1.473 2.421 263 255 A 63 GLU HBy A 63 GLU HA 1.0 1.952 4.800 264 256 A 63 GLU HBx A 63 GLU HA 1.0 1.868 4.078 265 257 A 63 GLU HBx A 63 GLU H 1.0 1.983 6.763 266 258 A 63 GLU HGy A 64 THR H 1.0 1.975 6.937 267 259 A 63 GLU HGy A 65 VAL H 1.0 1.913 7.757 268 260 A 63 GLU HGy A 63 GLU HA 1.0 1.922 4.490 269 261 A 64 THR H A 64 THR HG2% 1.0 1.835 3.863 270 262 A 65 VAL H A 64 THR HG2% 1.0 1.999 6.113 271 263 A 64 THR HG2% A 64 THR HA 1.0 1.525 2.575 272 264 A 75 PRO HA A 76 THR HG2% 1.0 1.911 4.401 273 265 A 75 PRO HA A 72 LEU HBx 1.0 1.828 3.828 274 266 A 20 MET HA A 20 MET HBx 1.0 1.915 4.433 275 267 A 20 MET HA A 20 MET HBy 1.0 1.817 3.761 276 268 A 20 MET HA A 20 MET HGy 1.0 1.883 4.183 277 269 A 90 PRO HGy A 90 PRO HBy 1.0 1.875 4.127 278 270 A 20 MET HBy A 20 MET HGx 1.0 1.989 5.421 279 271 A 20 MET HBy A 20 MET HGy 1.0 1.844 3.920 280 272 A 20 MET HBx A 20 MET HGy 1.0 1.965 4.981 281 273 A 20 MET HBx A 20 MET HGx 1.0 1.750 3.420 282 274 A 25 ILE HB A 25 ILE HG1x 1.0 1.900 4.314 283 275 A 35 PRO HDy A 35 PRO HGx 1.0 1.914 4.430 284 276 A 35 PRO HDy A 35 PRO HGy 1.0 1.728 3.324 285 277 A 40 LEU HBy A 84 THR HB 1.0 1.687 5.057 286 278 A 84 THR HB A 40 LEU HBx 1.0 1.889 4.227 287 279 A 41 PHE HD2 A 41 PHE HBy 1.0 1.989 5.413 288 279 A 41 PHE HD1 A 41 PHE HBy 1.0 1.989 5.413 289 280 A 41 PHE HBx A 42 ASN H 1.0 1.971 6.981 290 281 A 41 PHE HBy A 41 PHE H 1.0 1.923 4.507 291 282 A 46 LEU HDx% A 46 LEU H 1.0 1.930 4.564 292 283 A 46 LEU HDx% A 47 ASN HA 1.0 1.987 6.657 293 284 A 46 LEU HDx% A 41 PHE HA 1.0 1.999 5.847 294 285 A 46 LEU HBy A 46 LEU HDy% 1.0 1.693 3.171 295 286 A 41 PHE HBy A 46 LEU HDy% 1.0 1.941 4.687 296 287 A 39 TRP HBx A 46 LEU HDy% 1.0 1.653 3.015 297 288 A 51 PHE HA A 51 PHE HBy 1.0 1.950 4.792 298 289 A 51 PHE HBy A 51 PHE HD2 1.0 1.987 5.383 299 289 A 51 PHE HBy A 51 PHE HD1 1.0 1.987 5.383 300 290 A 51 PHE HBx A 51 PHE HBy 1.0 1.535 2.609 301 291 A 52 ILE HB A 52 ILE HA 1.0 1.958 4.880 302 292 A 52 ILE HB A 52 ILE HG1x 1.0 1.938 4.658 303 293 A 52 ILE HB A 52 ILE HG1y 1.0 1.808 3.710 304 294 A 52 ILE HA A 52 ILE HG2% 1.0 1.732 3.340 305 295 A 52 ILE HG2% A 53 PHE H 1.0 1.899 4.305 306 296 A 52 ILE HB A 52 ILE HG2% 1.0 1.479 2.439 307 297 A 48 GLU HA A 52 ILE HG2% 1.0 1.964 4.960 308 298 A 58 GLU HA A 58 GLU HB3 1.0 1.853 3.975 309 299 A 58 GLU HB3 A 59 PRO HDy 1.0 1.946 7.362 310 300 A 59 PRO HDx A 58 GLU HB3 1.0 1.920 7.682 311 301 A 59 PRO HDx A 58 GLU HGx 1.0 1.962 7.148 312 302 A 59 PRO HDy A 58 GLU HGx 1.0 1.998 5.768 313 303 A 58 GLU HA A 58 GLU HGx 1.0 1.805 3.699 314 304 A 58 GLU HB3 A 58 GLU HGx 1.0 1.556 2.676 315 305 A 58 GLU HGx A 58 GLU H 1.0 2.418 4.366 316 306 A 81 GLY HAy A 81 GLY HAx 1.0 1.583 2.765 317 307 A 60 ALA HB% A 59 PRO HA 1.0 1.964 4.968 318 308 A 59 PRO HDx A 59 PRO HDy 1.0 1.438 2.320 319 309 A 59 PRO HDx A 58 GLU HA 1.0 1.497 2.489 320 310 A 58 GLU HA A 59 PRO HDy 1.0 1.826 3.814 321 311 A 60 ALA HA A 59 PRO HDy 1.0 1.997 5.689 322 312 A 86 LEU HBx A 86 LEU HA 1.0 1.833 3.855 323 313 A 86 LEU HBy A 86 LEU HA 1.0 1.940 4.666 324 314 A 86 LEU HBy A 86 LEU HG 1.0 1.815 3.365 325 315 A 93 GLN HE21 A 86 LEU HDx% 1.0 1.979 5.209 326 316 A 86 LEU HA A 86 LEU HDx% 1.0 1.508 2.524 327 317 A 86 LEU HDx% A 95 SER HBy 1.0 1.640 2.968 328 318 A 86 LEU HBx A 86 LEU HDx% 1.0 1.635 2.947 329 319 A 86 LEU HBy A 86 LEU HDx% 1.0 1.767 3.503 330 320 A 86 LEU HG A 86 LEU H 1.0 1.589 5.031 331 321 A 86 LEU HG A 87 ALA H 1.0 1.911 7.775 332 322 A 86 LEU HDx% A 95 SER H 1.0 1.978 6.862 333 323 A 90 PRO HBx A 90 PRO HGx 1.0 1.973 5.107 334 324 A 90 PRO HGy A 90 PRO HBx 1.0 1.791 3.621 335 325 A 90 PRO HBy A 90 PRO HBx 1.0 1.563 2.697 336 326 A 90 PRO HBy A 90 PRO HGx 1.0 1.814 3.750 337 327 A 88 ALA HB% A 93 GLN HBy 1.0 1.907 4.373 338 328 A 93 GLN HA A 93 GLN HBy 1.0 1.767 3.503 339 329 A 93 GLN HBy A 93 GLN H 1.0 1.988 5.406 340 330 A 94 ALA H A 93 GLN HBx 1.0 1.940 7.444 341 331 A 94 ALA H A 93 GLN HBy 1.0 1.944 7.388 342 332 A 98 ILE HG1x A 98 ILE HG2% 1.0 1.545 2.641 343 333 A 14 LEU HDy% A 98 ILE HG1x 1.0 1.903 4.333 344 334 A 14 LEU HDy% A 98 ILE HG1y 1.0 1.996 5.640 345 335 A 98 ILE HG2% A 83 TYR HD1 1.0 1.968 7.040 346 335 A 98 ILE HG2% A 83 TYR HD2 1.0 1.968 7.040 347 336 A 98 ILE HG1y A 98 ILE HG2% 1.0 2.233 3.537 348 337 A 98 ILE HB A 98 ILE HG2% 1.0 1.357 2.107 349 338 A 14 LEU HDy% A 98 ILE HG2% 1.0 1.449 2.351 350 339 A 8 PHE H A 7 SER HA 1.0 1.690 3.160 351 340 A 11 SER HA A 11 SER HBy 1.0 1.851 3.971 352 341 A 30 ASP HBx A 30 ASP HBy 1.0 1.552 2.662 353 342 A 30 ASP HBy A 65 VAL HGy% 1.0 1.833 3.855 354 343 A 30 ASP HBx A 65 VAL HGy% 1.0 1.950 4.792 355 344 A 12 VAL HGx% A 12 VAL H 1.0 1.869 4.085 356 344 A 12 VAL HGy% A 12 VAL H 1.0 1.869 4.085 357 345 A 13 GLN HBy A 13 GLN HGx 1.0 1.530 2.592 358 346 A 14 LEU HBy A 15 HIS H 1.0 1.909 4.381 359 347 A 14 LEU HBy A 14 LEU HA 1.0 1.908 4.380 360 348 A 14 LEU HBy A 14 LEU HBx 1.0 1.334 2.050 361 349 A 14 LEU H A 14 LEU HDx% 1.0 1.985 5.319 362 350 A 14 LEU HDy% A 14 LEU H 1.0 1.999 5.799 363 351 A 15 HIS H A 14 LEU HDx% 1.0 2.000 6.172 364 352 A 14 LEU HDy% A 27 PHE HD1 1.0 1.997 6.311 365 353 A 14 LEU HBx A 14 LEU HDx% 1.0 1.430 2.300 366 354 A 14 LEU HBy A 14 LEU HDx% 1.0 1.544 2.636 367 355 A 14 LEU HDy% A 14 LEU HBx 1.0 1.687 3.149 368 356 A 14 LEU HDy% A 14 LEU HBy 1.0 1.466 2.400 369 357 A 14 LEU HDx% A 85 LEU HBy 1.0 1.669 3.073 370 358 A 14 LEU HDx% A 85 LEU HDy% 1.0 1.691 3.165 371 359 A 14 LEU HDy% A 85 LEU HDy% 1.0 1.651 3.007 372 360 A 15 HIS HBx A 26 PRO HGy 1.0 1.987 5.363 373 361 A 15 HIS HBx A 15 HIS HD2 1.0 1.939 4.663 374 362 A 15 HIS HD2 A 26 PRO HBx 1.0 1.993 5.509 375 363 A 16 THR H A 16 THR HG2% 1.0 1.979 5.193 376 364 A 17 ALA HA A 16 THR HG2% 1.0 1.993 5.531 377 365 A 16 THR HG2% A 16 THR HB 1.0 1.459 2.381 378 366 A 28 SER HBy A 28 SER HA 1.0 1.858 4.014 379 367 A 30 ASP H A 29 VAL HB 1.0 2.000 6.144 380 368 A 36 SER H A 36 SER HBy 1.0 1.982 5.266 381 369 A 37 LEU H A 36 SER HBy 1.0 1.941 4.691 382 370 A 36 SER HBy A 88 ALA H 1.0 1.967 7.057 383 371 A 36 SER HA A 36 SER HBy 1.0 1.659 3.039 384 372 A 37 LEU HBy A 37 LEU HA 1.0 1.826 3.818 385 373 A 37 LEU HDy% A 87 ALA HB% 1.0 1.654 2.542 386 374 A 37 LEU HDy% A 85 LEU HDy% 1.0 1.624 2.482 387 375 A 38 ARG HBy A 38 ARG HGy 1.0 1.502 2.504 388 376 A 42 ASN HBx A 42 ASN H 1.0 1.988 6.636 389 377 A 52 ILE HG2% A 72 LEU HG 1.0 1.883 4.179 390 378 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.602 2.830 391 379 A 55 GLU H A 54 THR HG2% 1.0 1.674 3.096 392 380 A 54 THR HG2% A 54 THR H 1.0 2.000 5.976 393 381 A 54 THR HG2% A 56 PHE HD1 1.0 1.850 3.956 394 381 A 54 THR HG2% A 56 PHE HD2 1.0 1.850 3.956 395 382 A 54 THR HG2% A 56 PHE HZ 1.0 1.669 3.077 396 383 A 54 THR HG2% A 56 PHE HE1 1.0 1.888 4.214 397 383 A 54 THR HG2% A 56 PHE HE2 1.0 1.888 4.214 398 384 A 54 THR HG2% A 54 THR HA 1.0 1.718 3.278 399 385 A 54 THR HG2% A 54 THR HB 1.0 1.583 2.763 400 386 A 38 ARG HBx A 38 ARG HE 1.0 1.791 3.621 401 387 A 67 HIS HBx A 67 HIS HBy 1.0 1.615 2.873 402 388 A 67 HIS HA A 67 HIS HBy 1.0 2.000 5.958 403 389 A 76 THR HG2% A 76 THR H 1.0 1.749 3.415 404 390 A 76 THR HG2% A 76 THR HA 1.0 1.611 2.859 405 391 A 76 THR HG2% A 76 THR HB 1.0 1.463 2.389 406 392 A 78 VAL HGy% A 79 ASN HD21 1.0 1.811 3.729 407 393 A 78 VAL HGy% A 79 ASN HD22 1.0 1.871 4.093 408 394 A 78 VAL HGy% A 79 ASN H 1.0 1.782 3.578 409 395 A 78 VAL HGy% A 76 THR HA 1.0 1.967 7.061 410 396 A 78 VAL HGy% A 76 THR HG2% 1.0 1.892 4.246 411 397 A 79 ASN H A 78 VAL HGx% 1.0 1.996 5.634 412 398 A 79 ASN HD21 A 78 VAL HGx% 1.0 1.999 5.889 413 399 A 78 VAL HGx% A 77 HIS HA 1.0 2.000 5.946 414 400 A 78 VAL HGx% A 78 VAL HA 1.0 1.610 2.856 415 401 A 79 ASN HBy A 79 ASN HBx 1.0 1.680 3.120 416 402 A 80 ASN HBx A 80 ASN HA 1.0 1.961 4.921 417 403 A 80 ASN HBy A 80 ASN HA 1.0 1.940 4.676 418 404 A 82 ASN HBx A 83 TYR H 1.0 2.000 6.020 419 405 A 37 LEU HDy% A 36 SER H 1.0 1.998 6.244 420 406 A 37 LEU HDy% A 27 PHE HE2 1.0 2.170 4.392 421 406 A 37 LEU HDy% A 27 PHE HE1 1.0 2.170 4.392 422 407 A 38 ARG HDy A 86 LEU HDy% 1.0 1.982 5.244 423 408 A 86 LEU HDy% A 85 LEU HA 1.0 1.846 3.934 424 409 A 84 THR HB A 86 LEU HDy% 1.0 2.387 4.379 425 410 A 86 LEU HA A 86 LEU HDy% 1.0 1.870 4.088 426 411 A 86 LEU H A 86 LEU HDy% 1.0 1.723 3.299 427 412 A 93 GLN HE21 A 86 LEU HDy% 1.0 1.942 7.414 428 413 A 86 LEU HBx A 86 LEU HDy% 1.0 1.734 3.348 429 414 A 14 LEU HA A 14 LEU HDx% 1.0 1.897 4.287 430 415 A 14 LEU HDy% A 14 LEU HA 1.0 1.670 3.080 431 416 A 19 GLU HBx A 18 VAL HA 1.0 1.918 7.708 432 417 A 85 LEU HBy A 85 LEU HBx 1.0 1.447 2.345 433 418 A 70 LEU HBy A 70 LEU HBx 1.0 1.577 2.745 434 419 A 85 LEU HBy A 85 LEU HDx% 1.0 1.635 2.949 435 420 A 14 LEU HDx% A 85 LEU HDx% 1.0 1.985 3.791 436 421 A 14 LEU HDy% A 85 LEU HDx% 1.0 2.115 3.561 437 422 A 85 LEU HA A 85 LEU HDx% 1.0 1.564 2.702 438 423 A 14 LEU HA A 85 LEU HDx% 1.0 1.447 10.761 439 424 A 37 LEU HA A 85 LEU HDx% 1.0 1.926 4.538 440 425 A 85 LEU HDx% A 39 TRP HA 1.0 1.916 4.448 441 426 A 85 LEU HDx% A 39 TRP HH2 1.0 1.839 3.891 442 427 A 86 LEU H A 85 LEU HDx% 1.0 1.751 3.427 443 428 A 38 ARG H A 85 LEU HDx% 1.0 1.643 2.975 444 429 A 85 LEU HDx% A 85 LEU H 1.0 1.996 5.630 445 430 A 85 LEU HDy% A 85 LEU HBx 1.0 1.427 2.291 446 431 A 85 LEU HDy% A 85 LEU HA 1.0 1.990 5.426 447 432 A 85 LEU HDy% A 85 LEU H 1.0 1.999 5.823 448 433 A 86 LEU H A 85 LEU HDy% 1.0 1.999 6.147 449 434 A 35 PRO HGx A 35 PRO HGy 1.0 1.348 2.086 450 435 A 33 PRO HBy A 34 ALA HB% 1.0 1.999 5.837 451 436 A 35 PRO HBx A 34 ALA HB% 1.0 1.998 6.248 452 437 A 98 ILE HG2% A 14 LEU HBx 1.0 1.833 3.855 453 438 A 98 ILE HG2% A 16 THR HA 1.0 1.995 6.409 454 439 A 98 ILE HG2% A 83 TYR HBx 1.0 1.961 4.921 455 440 A 98 ILE HG2% A 83 TYR HBy 1.0 1.796 3.652 456 441 A 29 VAL HGx% A 29 VAL H 1.0 1.578 2.746 457 442 A 29 VAL HGx% A 30 ASP H 1.0 1.937 4.647 458 443 A 102 PHE H A 101 ALA HB% 1.0 2.222 3.502 459 444 A 101 ALA HB% A 101 ALA H 1.0 1.516 2.546 460 445 A 80 ASN HA A 101 ALA HB% 1.0 1.947 4.753 461 446 A 101 ALA HB% A 100 ALA HA 1.0 1.952 4.802 462 447 A 101 ALA HB% A 101 ALA HA 1.0 1.363 2.123 463 448 A 102 PHE HA A 101 ALA HB% 1.0 1.925 4.523 464 449 A 29 VAL HGx% A 66 ARG HDy 1.0 1.539 2.621 465 450 A 100 ALA HA A 100 ALA HB% 1.0 1.450 2.356 466 451 A 101 ALA H A 100 ALA HB% 1.0 1.809 3.721 467 452 A 100 ALA HB% A 100 ALA H 1.0 1.660 3.040 468 453 A 83 TYR HD2 A 83 TYR HE2 1.0 1.993 6.499 469 453 A 83 TYR HD1 A 83 TYR HE2 1.0 1.993 6.499 470 453 A 83 TYR HD2 A 83 TYR HE1 1.0 1.993 6.499 471 453 A 83 TYR HD1 A 83 TYR HE1 1.0 1.993 6.499 472 454 A 97 SER HBx A 97 SER HBy 1.0 1.469 2.409 473 455 A 97 SER HBy A 97 SER HA 1.0 1.962 4.934 474 456 A 97 SER HBx A 97 SER HA 1.0 1.857 4.009 475 457 A 98 ILE H A 97 SER HBy 1.0 1.978 6.844 476 458 A 97 SER HA A 96 ALA HB% 1.0 1.978 5.184 477 459 A 96 ALA HB% A 96 ALA H 1.0 1.675 3.101 478 460 A 96 ALA HB% A 97 SER H 1.0 1.726 3.314 479 461 A 96 ALA HB% A 95 SER HA 1.0 1.995 5.601 480 462 A 96 ALA HB% A 96 ALA HA 1.0 1.532 2.600 481 463 A 98 ILE HB A 96 ALA HB% 1.0 1.985 5.323 482 464 A 86 LEU HA A 95 SER HBy 1.0 1.988 5.388 483 465 A 95 SER HBy A 95 SER H 1.0 1.990 6.584 484 466 A 86 LEU HDx% A 95 SER HA 1.0 1.742 3.386 485 467 A 95 SER HA A 94 ALA HB% 1.0 1.998 6.258 486 468 A 95 SER HA A 95 SER HBx 1.0 1.782 3.578 487 469 A 95 SER HBy A 95 SER HA 1.0 1.757 3.455 488 470 A 86 LEU HA A 95 SER HA 1.0 1.811 3.729 489 471 A 10 ALA HB% A 94 ALA HB% 1.0 2.331 3.401 490 472 A 94 ALA H A 94 ALA HB% 1.0 1.583 2.765 491 473 A 12 VAL H A 94 ALA HB% 1.0 1.761 3.473 492 474 A 95 SER H A 94 ALA HB% 1.0 1.728 3.320 493 475 A 11 SER H A 94 ALA HB% 1.0 1.963 4.955 494 476 A 95 SER HA A 94 ALA HB% 1.0 1.967 5.001 495 477 A 93 GLN HA A 94 ALA HB% 1.0 1.984 5.312 496 478 A 94 ALA HB% A 94 ALA HA 1.0 1.496 2.486 497 479 A 93 GLN HGx A 93 GLN H 1.0 1.953 7.269 498 480 A 93 GLN HGx A 96 ALA H 1.0 1.889 8.003 499 481 A 91 CYS HBy A 91 CYS HBx 1.0 1.548 2.650 500 482 A 89 ASN HBx A 89 ASN HBy 1.0 1.594 2.802 501 483 A 87 ALA H A 87 ALA HB% 1.0 1.590 2.790 502 484 A 88 ALA H A 87 ALA HB% 1.0 1.884 4.184 503 485 A 87 ALA HA A 87 ALA HB% 1.0 1.455 2.367 504 486 A 37 LEU HA A 87 ALA HB% 1.0 2.270 4.486 505 487 A 86 LEU HA A 87 ALA HB% 1.0 2.233 4.909 506 488 A 29 VAL HB A 87 ALA HB% 1.0 1.854 3.980 507 489 A 35 PRO HGy A 87 ALA HB% 1.0 1.596 2.810 508 490 A 35 PRO HGx A 87 ALA HB% 1.0 1.606 2.842 509 491 A 27 PHE HD2 A 85 LEU HDy% 1.0 1.996 5.616 510 491 A 27 PHE HD1 A 85 LEU HDy% 1.0 1.996 5.616 511 492 A 85 LEU HDy% A 39 TRP HH2 1.0 1.819 3.769 512 493 A 79 ASN HD21 A 79 ASN HBx 1.0 1.967 5.003 513 494 A 29 VAL HGx% A 27 PHE HD1 1.0 1.700 3.200 514 494 A 29 VAL HGx% A 27 PHE HD2 1.0 1.700 3.200 515 495 A 54 THR HG2% A 55 GLU HA 1.0 1.979 5.205 516 496 A 70 LEU H A 69 CYS HA 1.0 1.699 3.199 517 497 A 64 THR H A 65 VAL HA 1.0 1.999 5.863 518 498 A 65 VAL HA A 65 VAL HB 1.0 1.753 3.437 519 499 A 64 THR HG2% A 64 THR HB 1.0 1.508 2.524 520 500 A 61 ALA HB% A 63 GLU HBy 1.0 1.986 6.682 521 501 A 61 ALA HB% A 63 GLU HBx 1.0 1.926 7.610 522 502 A 60 ALA HB% A 63 GLU HGy 1.0 1.616 2.880 523 503 A 62 ASN HBx A 63 GLU HGy 1.0 1.901 7.879 524 504 A 61 ALA HB% A 63 GLU H 1.0 2.000 5.896 525 505 A 60 ALA HB% A 61 ALA HA 1.0 1.998 5.810 526 506 A 59 PRO HA A 59 PRO HDx 1.0 1.998 6.278 527 507 A 57 LEU HDx% A 58 GLU HGx 1.0 1.989 6.623 528 508 A 57 LEU HDy% A 67 HIS HA 1.0 1.986 6.674 529 509 A 57 LEU HDx% A 58 GLU H 1.0 1.750 3.418 530 510 A 57 LEU H A 57 LEU HDx% 1.0 1.973 5.095 531 511 A 57 LEU HBy A 57 LEU HDx% 1.0 1.387 2.185 532 512 A 54 THR HA A 54 THR HB 1.0 1.894 4.260 533 513 A 50 SER HA A 50 SER HBy 1.0 1.829 3.831 534 514 A 50 SER HA A 50 SER HBx 1.0 1.859 4.017 535 515 A 49 THR HG2% A 52 ILE H 1.0 1.976 6.898 536 516 A 49 THR HG2% A 49 THR HA 1.0 1.700 3.202 537 517 A 49 THR HG2% A 49 THR HB 1.0 1.593 2.799 538 518 A 48 GLU HA A 49 THR HG2% 1.0 1.941 4.687 539 519 A 48 GLU HBy A 49 THR HG2% 1.0 1.982 6.768 540 520 A 46 LEU HBx A 39 TRP HBy 1.0 1.995 5.625 541 521 A 45 VAL HA A 40 LEU HA 1.0 2.271 4.363 542 522 A 39 TRP H A 45 VAL HGx% 1.0 2.697 6.361 543 523 A 45 VAL HGx% A 40 LEU HA 1.0 2.474 5.616 544 524 A 46 LEU HA A 45 VAL HGx% 1.0 2.615 5.133 545 525 A 47 ASN HA A 45 VAL HGy% 1.0 1.999 6.145 546 526 A 60 ALA HA A 61 ALA HA 1.0 1.991 5.475 547 527 A 40 LEU HDx% A 40 LEU HA 1.0 1.536 2.612 548 528 A 40 LEU HDx% A 38 ARG HGx 1.0 1.866 4.064 549 529 A 38 ARG HGy A 40 LEU HDx% 1.0 1.966 5.004 550 530 A 40 LEU HDx% A 40 LEU HBx 1.0 1.852 3.974 551 531 A 40 LEU HDx% A 40 LEU HBy 1.0 1.393 2.199 552 532 A 40 LEU HDx% A 45 VAL HA 1.0 1.723 2.773 553 533 A 40 LEU HDx% A 44 SER H 1.0 2.943 5.105 554 534 A 40 LEU HDx% A 41 PHE H 1.0 1.914 4.422 555 535 A 40 LEU HDx% A 46 LEU H 1.0 2.183 3.829 556 536 A 40 LEU HDx% A 45 VAL H 1.0 2.022 4.590 557 537 A 39 TRP HBx A 39 TRP HA 1.0 1.949 4.767 558 538 A 38 ARG HGy A 38 ARG H 1.0 1.955 7.247 559 539 A 38 ARG HGy A 38 ARG HE 1.0 1.999 5.803 560 540 A 38 ARG HA A 38 ARG HGy 1.0 1.908 4.372 561 541 A 38 ARG HA A 38 ARG HGx 1.0 1.982 5.266 562 542 A 37 LEU HBx A 37 LEU HA 1.0 1.972 5.084 563 543 A 35 PRO HBy A 35 PRO HDy 1.0 1.989 6.601 564 544 A 35 PRO HBx A 35 PRO HDy 1.0 1.968 5.018 565 545 A 35 PRO HBy A 87 ALA HB% 1.0 1.737 3.363 566 546 A 35 PRO HBx A 87 ALA HB% 1.0 1.918 4.464 567 547 A 35 PRO HBy A 35 PRO HBx 1.0 1.424 2.284 568 548 A 35 PRO HBy A 88 ALA H 1.0 1.913 4.419 569 549 A 36 SER HA A 35 PRO HGx 1.0 2.000 6.036 570 550 A 34 ALA HB% A 35 PRO HGy 1.0 1.952 7.278 571 551 A 33 PRO HBx A 33 PRO HBy 1.0 1.341 2.065 572 552 A 33 PRO HBx A 34 ALA HB% 1.0 1.933 7.523 573 553 A 33 PRO HBx A 32 GLN HA 1.0 1.926 7.610 574 554 A 33 PRO HGx A 33 PRO HA 1.0 1.976 6.902 575 555 A 33 PRO HGy A 33 PRO HA 1.0 1.957 7.207 576 556 A 34 ALA H A 33 PRO HGx 1.0 1.892 7.970 577 557 A 33 PRO HDx A 33 PRO HGx 1.0 1.845 3.929 578 558 A 31 GLY HAx A 31 GLY HAy 1.0 1.636 2.952 579 559 A 30 ASP H A 30 ASP HA 1.0 1.803 3.689 580 560 A 30 ASP HBy A 30 ASP HA 1.0 1.827 3.821 581 561 A 27 PHE HD2 A 29 VAL HB 1.0 1.997 5.705 582 561 A 27 PHE HD1 A 29 VAL HB 1.0 1.997 5.705 583 562 A 27 PHE HA A 26 PRO HA 1.0 2.000 6.100 584 563 A 27 PHE HA A 15 HIS HD2 1.0 1.987 5.357 585 564 A 27 PHE HA A 27 PHE HD2 1.0 1.963 7.129 586 564 A 27 PHE HA A 27 PHE HD1 1.0 1.963 7.129 587 565 A 26 PRO HBx A 26 PRO HBy 1.0 1.497 2.491 588 566 A 26 PRO HBx A 26 PRO HGx 1.0 1.954 4.840 589 567 A 26 PRO HBx A 26 PRO HA 1.0 1.987 5.387 590 568 A 26 PRO HGy A 26 PRO HBx 1.0 1.809 3.719 591 569 A 20 MET HGx A 18 VAL HGy% 1.0 1.812 3.732 592 570 A 20 MET HGy A 18 VAL HGy% 1.0 2.000 5.866 593 571 A 20 MET HGx A 20 MET H 1.0 1.974 5.124 594 572 A 20 MET HA A 20 MET HGx 1.0 1.987 6.655 595 573 A 19 GLU HA A 19 GLU HGy 1.0 1.924 4.518 596 574 A 19 GLU HA A 19 GLU HGx 1.0 1.969 5.025 597 575 A 19 GLU HBx A 19 GLU HA 1.0 1.950 4.782 598 576 A 19 GLU HA A 18 VAL HB 1.0 1.961 7.165 599 577 A 19 GLU HBx A 19 GLU HGy 1.0 1.909 4.387 600 578 A 19 GLU HBx A 19 GLU HGx 1.0 1.936 4.634 601 579 A 18 VAL HB A 24 CYS HBx 1.0 1.927 7.603 602 580 A 18 VAL HA A 18 VAL HB 1.0 1.735 3.353 603 581 A 17 ALA H A 16 THR HB 1.0 1.926 4.536 604 582 A 74 GLN HGx A 74 GLN H 1.0 1.973 6.943 605 583 A 28 SER HBy A 28 SER HBx 1.0 1.451 2.357 606 584 A 13 GLN HGx A 28 SER HBy 1.0 1.905 7.839 607 585 A 29 VAL HA A 12 VAL HA 1.0 1.760 3.470 608 586 A 29 VAL HA A 30 ASP H 1.0 1.659 3.037 609 587 A 29 VAL HA A 29 VAL HB 1.0 1.703 3.213 610 588 A 32 GLN HGx A 33 PRO HDy 1.0 1.678 9.532 611 589 A 32 GLN HGx A 31 GLY H 1.0 1.946 7.372 612 590 A 6 VAL H A 6 VAL HGy% 1.0 1.776 3.550 613 591 A 8 PHE HD1 A 6 VAL HGy% 1.0 1.944 4.710 614 591 A 8 PHE HD2 A 6 VAL HGy% 1.0 1.944 4.710 615 592 A 57 LEU HDy% A 56 PHE HA 1.0 1.910 7.792 616 593 A 77 HIS HBx A 77 HIS HD2 1.0 1.979 5.197 617 594 A 77 HIS HBy A 77 HIS HD2 1.0 1.942 4.696 618 595 A 78 VAL HA A 78 VAL HB 1.0 1.647 2.991 619 596 A 78 VAL HGy% A 78 VAL HA 1.0 1.721 3.295 620 597 A 39 TRP HBx A 46 LEU HBy 1.0 2.000 6.060 621 598 A 39 TRP HBx A 39 TRP HE3 1.0 1.992 6.536 622 599 A 19 GLU HBy A 19 GLU HGy 1.0 1.999 5.855 623 600 A 98 ILE HD1% A 25 ILE HG2% 1.0 2.378 3.810 624 601 A 98 ILE HG1y A 98 ILE HD1% 1.0 1.671 2.641 625 602 A 98 ILE HD1% A 99 MET HBy 1.0 1.978 5.188 626 603 A 98 ILE HD1% A 82 ASN HA 1.0 1.998 5.758 627 604 A 70 LEU HBy A 70 LEU HDx% 1.0 1.720 3.286 628 605 A 70 LEU HDx% A 70 LEU HA 1.0 1.610 2.858 629 606 A 54 THR HA A 70 LEU HDx% 1.0 1.825 3.813 630 607 A 39 TRP HH2 A 70 LEU HDx% 1.0 2.364 5.362 631 608 A 70 LEU HDx% A 71 ARG H 1.0 1.968 5.022 632 609 A 70 LEU H A 70 LEU HDx% 1.0 1.999 5.835 633 610 A 70 LEU HBx A 70 LEU HDx% 1.0 1.891 4.243 634 611 A 29 VAL HGy% A 35 PRO HDy 1.0 1.910 4.396 635 612 A 29 VAL HGy% A 12 VAL HA 1.0 1.904 4.344 636 613 A 29 VAL HGy% A 10 ALA HA 1.0 2.000 5.956 637 614 A 29 VAL HGy% A 27 PHE HD2 1.0 2.114 4.628 638 614 A 29 VAL HGy% A 27 PHE HD1 1.0 2.114 4.628 639 615 A 29 VAL HGy% A 30 ASP H 1.0 1.668 3.070 640 616 A 29 VAL HGy% A 29 VAL H 1.0 1.852 3.972 641 617 A 37 LEU HDx% A 36 SER HA 1.0 1.846 8.376 642 618 A 37 LEU HDx% A 37 LEU HA 1.0 1.995 5.599 643 619 A 37 LEU HDx% A 56 PHE HE1 1.0 1.995 5.619 644 619 A 37 LEU HDx% A 56 PHE HE2 1.0 1.995 5.619 645 620 A 37 LEU HDx% A 56 PHE HZ 1.0 1.777 3.551 646 621 A 37 LEU HDx% A 56 PHE HD2 1.0 1.843 3.919 647 621 A 37 LEU HDx% A 56 PHE HD1 1.0 1.843 3.919 648 622 A 37 LEU HDx% A 37 LEU H 1.0 1.986 5.352 649 623 A 63 GLU HGy A 63 GLU HBy 1.0 1.596 2.810 650 624 A 35 PRO HGy A 35 PRO HDx 1.0 1.941 4.689 651 625 A 65 VAL H A 65 VAL HGy% 1.0 1.515 2.545 652 626 A 65 VAL HGy% A 65 VAL HA 1.0 1.665 3.059 653 627 A 63 GLU HGy A 65 VAL HGy% 1.0 1.985 5.313 654 628 A 65 VAL HGy% A 28 SER HBx 1.0 2.000 6.054 655 629 A 66 ARG HA A 65 VAL HGy% 1.0 1.999 6.195 656 630 A 63 GLU HA A 65 VAL HGy% 1.0 1.988 6.624 657 631 A 30 ASP HBy A 65 VAL HGx% 1.0 1.750 3.420 658 632 A 28 SER HBy A 65 VAL HGx% 1.0 1.642 2.974 659 633 A 28 SER HBx A 65 VAL HGx% 1.0 1.968 5.024 660 634 A 65 VAL HA A 65 VAL HGx% 1.0 1.587 2.777 661 635 A 28 SER HA A 65 VAL HGx% 1.0 1.897 4.285 662 636 A 30 ASP HA A 65 VAL HGx% 1.0 1.923 4.507 663 637 A 65 VAL H A 65 VAL HGx% 1.0 1.892 4.244 664 638 A 65 VAL HGx% A 67 HIS HE1 1.0 1.976 5.160 665 639 A 29 VAL H A 65 VAL HGx% 1.0 1.866 4.064 666 640 A 6 VAL HA A 6 VAL HB 1.0 1.600 2.824 667 641 A 6 VAL HGy% A 6 VAL HA 1.0 1.499 2.499 668 642 A 6 VAL HA A 7 SER HBx 1.0 1.971 6.997 669 643 A 6 VAL H A 6 VAL HA 1.0 1.717 3.271 670 644 A 6 VAL HA A 7 SER H 1.0 1.543 2.635 671 645 A 18 VAL HA A 18 VAL HGy% 1.0 1.804 3.690 672 646 A 18 VAL H A 18 VAL HGy% 1.0 1.660 3.044 673 647 A 18 VAL HGy% A 19 GLU H 1.0 1.866 4.064 674 648 A 24 CYS HBx A 18 VAL HGy% 1.0 1.994 5.568 675 649 A 25 ILE HG2% A 25 ILE HA 1.0 1.644 2.982 676 650 A 6 VAL HA A 6 VAL HGx% 1.0 1.727 3.317 677 651 A 6 VAL H A 6 VAL HGx% 1.0 1.487 2.461 678 652 A 88 ALA HB% A 87 ALA HA 1.0 1.954 4.826 679 653 A 88 ALA HB% A 88 ALA H 1.0 1.543 2.631 680 654 A 88 ALA HB% A 89 ASN H 1.0 1.760 3.466 681 655 A 88 ALA HB% A 93 GLN HBx 1.0 1.972 5.086 682 656 A 93 GLN HGx A 88 ALA HB% 1.0 1.997 5.693 683 657 A 72 LEU H A 72 LEU HDx% 1.0 1.748 3.416 684 658 A 72 LEU HBx A 72 LEU HDx% 1.0 1.510 2.530 685 659 A 72 LEU HDx% A 72 LEU HBy 1.0 1.826 3.816 686 660 A 70 LEU HBy A 70 LEU HDy% 1.0 1.674 3.098 687 661 A 70 LEU HDy% A 25 ILE HD1% 1.0 1.300 1.968 688 662 A 70 LEU HBx A 70 LEU HDy% 1.0 1.660 3.040 689 663 A 70 LEU HA A 70 LEU HDy% 1.0 1.990 5.448 690 664 A 98 ILE HD1% A 16 THR HA 1.0 2.278 4.456 691 665 A 16 THR HA A 16 THR HG2% 1.0 1.546 2.642 692 666 A 16 THR HA A 16 THR H 1.0 1.813 3.739 693 667 A 7 SER HA A 7 SER HBx 1.0 1.705 3.221 694 668 A 8 PHE H A 7 SER HBx 1.0 1.998 6.246 695 669 A 7 SER HBx A 7 SER H 1.0 1.799 3.663 696 670 A 90 PRO HA A 90 PRO HBx 1.0 1.770 3.514 697 671 A 90 PRO HA A 90 PRO HBy 1.0 1.797 3.657 698 672 A 8 PHE HBy A 8 PHE HBx 1.0 1.515 2.547 699 673 A 8 PHE HBx A 8 PHE HE2 1.0 1.859 8.265 700 673 A 8 PHE HBx A 8 PHE HEx 1.0 1.859 8.265 701 674 A 15 HIS HBy A 15 HIS HA 1.0 1.994 5.586 702 675 A 15 HIS HBx A 15 HIS HA 1.0 1.999 5.815 703 676 A 107 PHE HE1 A 107 PHE HD2 1.0 1.935 4.615 704 676 A 107 PHE HE2 A 107 PHE HD2 1.0 1.935 4.615 705 676 A 107 PHE HD1 A 107 PHE HE2 1.0 1.935 4.615 706 676 A 107 PHE HD1 A 107 PHE HE1 1.0 1.935 4.615 707 677 A 67 HIS HA A 67 HIS HD2 1.0 1.688 9.472 708 678 A 67 HIS HD2 A 66 ARG H 1.0 1.984 6.726 709 679 A 77 HIS HBx A 77 HIS HA 1.0 1.663 3.051 710 680 A 77 HIS HBy A 77 HIS HA 1.0 1.805 3.699 711 681 A 94 ALA HB% A 11 SER HBx 1.0 1.993 6.483 712 682 A 28 SER HA A 28 SER HBx 1.0 1.983 5.263 713 683 A 95 SER HBy A 95 SER HBx 1.0 1.356 2.104 714 684 A 24 CYS HBx A 24 CYS HA 1.0 1.843 3.919 715 685 A 24 CYS HBy A 24 CYS HA 1.0 1.931 4.581 716 686 A 69 CYS HA A 69 CYS HBx 1.0 1.999 6.213 717 687 A 69 CYS HA A 69 CYS HBy 1.0 1.908 4.370 718 688 A 91 CYS HBy A 91 CYS HA 1.0 1.889 4.223 719 689 A 91 CYS HBx A 91 CYS HA 1.0 1.879 4.149 720 690 A 76 THR HA A 76 THR HB 1.0 1.814 3.748 721 691 A 84 THR HA A 84 THR HG2% 1.0 1.719 3.283 722 692 A 99 MET HA A 99 MET HGy 1.0 1.755 3.447 723 693 A 99 MET HBy A 99 MET HA 1.0 1.837 3.877 724 694 A 103 MET HA A 103 MET HBy 1.0 1.774 3.536 725 695 A 103 MET HBy A 103 MET H 1.0 1.998 5.778 726 696 A 103 MET HBy A 103 MET HG3 1.0 1.783 3.579 727 697 A 103 MET HBy A 103 MET HBx 1.0 1.228 1.802 728 698 A 103 MET HG3 A 103 MET HBx 1.0 1.596 2.806 729 699 A 103 MET HA A 103 MET HG3 1.0 1.924 4.518 730 700 A 103 MET HG3 A 103 MET HE% 1.0 1.878 4.146 731 701 A 86 LEU HDx% A 86 LEU HDy% 1.0 1.408 2.242 732 702 A 40 LEU HBx A 86 LEU HDx% 1.0 2.064 5.060 733 703 A 93 GLN HGy A 86 LEU HDx% 1.0 1.951 4.795 734 704 A 93 GLN HGx A 86 LEU HDx% 1.0 1.845 3.925 735 705 A 8 PHE HD2 A 8 PHE HZ 1.0 1.948 4.760 736 705 A 8 PHE HD1 A 8 PHE HZ 1.0 1.948 4.760 737 706 A 41 PHE HBx A 41 PHE HA 1.0 1.909 4.385 738 707 A 41 PHE HBx A 41 PHE HE2 1.0 1.919 7.691 739 707 A 41 PHE HBx A 41 PHE HE1 1.0 1.919 7.691 740 708 A 107 PHE HBx A 107 PHE HA 1.0 1.870 4.092 741 709 A 107 PHE HA A 107 PHE HBy 1.0 1.775 3.541 742 710 A 107 PHE HD2 A 107 PHE HA 1.0 2.000 5.906 743 710 A 107 PHE HD1 A 107 PHE HA 1.0 2.000 5.906 744 711 A 107 PHE HBx A 107 PHE HBy 1.0 1.237 1.823 745 712 A 23 TRP HZ3 A 23 TRP HBx 1.0 1.142 12.100 746 713 A 23 TRP HZ3 A 23 TRP HBy 1.0 1.807 8.677 747 714 A 25 ILE HB A 25 ILE HG2% 1.0 1.407 2.239 748 715 A 25 ILE HG2% A 25 ILE HG1y 1.0 1.800 3.668 749 716 A 25 ILE HG2% A 70 LEU HG 1.0 1.994 6.432 750 717 A 25 ILE HG2% A 26 PRO HDx 1.0 1.963 4.945 751 718 A 102 PHE HA A 102 PHE HBx 1.0 1.835 3.865 752 719 A 102 PHE HA A 102 PHE HBy 1.0 1.815 3.751 753 720 A 102 PHE HBy A 102 PHE HBx 1.0 1.629 2.923 754 721 A 102 PHE HD1 A 102 PHE HZ 1.0 1.979 6.829 755 722 A 75 PRO HA A 72 LEU HDy% 1.0 1.845 3.927 756 723 A 66 ARG HBx A 66 ARG HGy 1.0 1.942 4.692 757 724 A 66 ARG HGy A 66 ARG HGx 1.0 1.544 2.636 758 725 A 66 ARG HA A 66 ARG HDy 1.0 1.853 8.313 759 726 A 66 ARG HE A 66 ARG HDy 1.0 1.921 4.485 760 727 A 38 ARG HDy A 38 ARG H 1.0 1.483 10.583 761 728 A 38 ARG HDy A 38 ARG HE 1.0 1.998 5.728 762 729 A 89 ASN HBx A 92 GLY HAy 1.0 1.874 8.142 763 730 A 41 PHE HBx A 41 PHE HBy 1.0 1.681 3.125 764 731 A 23 TRP HBx A 23 TRP HZ2 1.0 1.676 9.542 765 732 A 19 GLU HA A 19 GLU H 1.0 1.880 4.156 766 733 A 35 PRO HGx A 35 PRO HDx 1.0 1.840 3.896 767 734 A 16 THR HA A 25 ILE HG1x 1.0 2.000 6.056 768 735 A 27 PHE HBy A 25 ILE HG2% 1.0 1.870 4.090 769 736 A 32 GLN HBy A 8 PHE H 1.0 1.957 4.877 770 737 A 55 GLU HA A 55 GLU HBy 1.0 1.984 5.302 771 738 A 80 ASN HBx A 80 ASN HBy 1.0 1.621 2.897 772 739 A 82 ASN HBy A 99 MET HE% 1.0 1.999 5.811 773 740 A 105 ASN HBx A 106 PRO HDy 1.0 1.947 7.349 774 741 A 105 ASN HBy A 106 PRO HDy 1.0 2.000 5.992 775 742 A 65 VAL HGy% A 67 HIS HD2 1.0 1.997 5.689 776 742 A 65 VAL HGx% A 67 HIS HD2 1.0 1.997 5.689 777 743 A 41 PHE HA A 41 PHE HE2 1.0 1.795 8.765 778 743 A 41 PHE HA A 41 PHE HE1 1.0 1.795 8.765 779 744 A 83 TYR HD2 A 83 TYR HBy 1.0 1.994 6.460 780 744 A 83 TYR HD1 A 83 TYR HBy 1.0 1.994 6.460 781 745 A 83 TYR HBx A 83 TYR HBy 1.0 1.713 3.257 782 746 A 83 TYR HBx A 82 ASN HA 1.0 1.733 9.185 783 747 A 39 TRP HH2 A 83 TYR HBy 1.0 1.779 8.879 784 748 A 83 TYR HBx A 84 THR HG2% 1.0 1.945 7.385 785 749 A 83 TYR HBy A 84 THR HG2% 1.0 1.866 8.202 786 750 A 39 TRP HH2 A 83 TYR HBx 1.0 1.925 7.631 787 751 A 22 HIS HBx A 23 TRP H 1.0 1.923 4.515 788 752 A 22 HIS HBy A 23 TRP H 1.0 1.944 7.394 789 753 A 39 TRP HBx A 39 TRP HZ2 1.0 1.889 8.001 790 754 A 32 GLN HGx A 7 SER HA 1.0 1.993 6.487 791 755 A 32 GLN HBx A 7 SER HA 1.0 2.093 5.187 792 756 A 32 GLN HBy A 7 SER HA 1.0 1.970 5.050 793 757 A 11 SER HA A 12 VAL HGx% 1.0 1.989 5.429 794 757 A 11 SER HA A 12 VAL HGy% 1.0 1.989 5.429 795 758 A 29 VAL HB A 12 VAL HA 1.0 1.940 4.678 796 759 A 98 ILE HD1% A 15 HIS HBx 1.0 1.991 6.551 797 760 A 98 ILE HD1% A 15 HIS HBy 1.0 1.870 8.172 798 761 A 17 ALA HB% A 25 ILE HD1% 1.0 1.780 3.564 799 762 A 19 GLU HGy A 19 GLU HGx 1.0 1.489 2.469 800 763 A 19 GLU HGx A 19 GLU H 1.0 1.921 7.673 801 764 A 19 GLU HGy A 19 GLU H 1.0 1.999 5.927 802 765 A 72 LEU HBx A 23 TRP HBy 1.0 1.992 6.510 803 766 A 72 LEU HBx A 23 TRP HBx 1.0 1.989 5.407 804 767 A 23 TRP HBx A 23 TRP HA 1.0 2.000 6.108 805 768 A 23 TRP HBy A 23 TRP HA 1.0 1.986 5.340 806 769 A 26 PRO HA A 26 PRO HBy 1.0 1.946 4.738 807 770 A 28 SER HA A 29 VAL HB 1.0 1.979 6.853 808 771 A 27 PHE HD2 A 28 SER HA 1.0 1.998 6.266 809 771 A 27 PHE HD1 A 28 SER HA 1.0 1.998 6.266 810 772 A 29 VAL HA A 29 VAL H 1.0 1.841 3.903 811 773 A 30 ASP HBx A 30 ASP HA 1.0 1.874 4.114 812 774 A 65 VAL HGy% A 30 ASP HA 1.0 1.974 5.120 813 775 A 30 ASP HBy A 65 VAL HA 1.0 1.996 6.358 814 776 A 30 ASP HBy A 31 GLY HAy 1.0 3.593 6.587 815 777 A 32 GLN HBx A 64 THR HG2% 1.0 1.991 6.561 816 778 A 32 GLN HBy A 64 THR HG2% 1.0 1.950 7.308 817 779 A 32 GLN HGx A 31 GLY HAx 1.0 1.326 11.320 818 780 A 32 GLN HGx A 31 GLY HAy 1.0 1.773 8.919 819 781 A 33 PRO HBx A 34 ALA HA 1.0 1.856 8.288 820 782 A 33 PRO HBy A 34 ALA HA 1.0 1.996 6.382 821 783 A 33 PRO HBy A 33 PRO HA 1.0 1.907 4.369 822 784 A 33 PRO HBx A 33 PRO HA 1.0 1.735 3.355 823 785 A 33 PRO HGy A 33 PRO HGx 1.0 1.227 1.799 824 786 A 33 PRO HDy A 33 PRO HA 1.0 1.786 8.830 825 787 A 33 PRO HDx A 33 PRO HA 1.0 1.961 7.153 826 788 A 34 ALA HB% A 33 PRO HA 1.0 1.993 5.549 827 789 A 32 GLN HE21 A 34 ALA HB% 1.0 1.946 7.376 828 790 A 34 ALA HA A 35 PRO HGy 1.0 1.978 6.864 829 791 A 34 ALA HB% A 35 PRO HGx 1.0 1.879 8.085 830 792 A 31 GLY HAx A 35 PRO HGx 1.0 1.980 6.822 831 793 A 31 GLY HAx A 35 PRO HGy 1.0 2.439 5.163 832 794 A 36 SER HA A 35 PRO HGy 1.0 1.936 7.492 833 795 A 37 LEU HA A 37 LEU HG 1.0 1.934 4.612 834 796 A 37 LEU H A 37 LEU HG 1.0 1.758 3.458 835 797 A 38 ARG H A 37 LEU HG 1.0 1.926 7.604 836 798 A 38 ARG HA A 38 ARG HBy 1.0 1.640 2.966 837 799 A 39 TRP HBx A 39 TRP HZ3 1.0 1.521 10.395 838 800 A 40 LEU HBy A 40 LEU HBx 1.0 1.594 2.804 839 801 A 40 LEU HDx% A 40 LEU HBx 1.0 1.900 4.312 840 801 A 40 LEU HDy% A 40 LEU HBx 1.0 1.900 4.312 841 802 A 40 LEU HDx% A 40 LEU HBy 1.0 1.648 2.996 842 802 A 40 LEU HDy% A 40 LEU HBy 1.0 1.648 2.996 843 803 A 40 LEU HBx A 40 LEU HG 1.0 1.813 3.743 844 804 A 40 LEU HBy A 40 LEU HG 1.0 1.942 4.692 845 805 A 40 LEU HDx% A 41 PHE HBy 1.0 1.901 7.883 846 805 A 40 LEU HDy% A 41 PHE HBy 1.0 1.901 7.883 847 806 A 40 LEU HDx% A 41 PHE HBx 1.0 1.818 8.602 848 806 A 40 LEU HDy% A 41 PHE HBx 1.0 1.818 8.602 849 807 A 41 PHE HBy A 41 PHE HA 1.0 1.994 6.432 850 808 A 41 PHE HD2 A 41 PHE HA 1.0 1.946 7.370 851 808 A 41 PHE HD1 A 41 PHE HA 1.0 1.946 7.370 852 809 A 42 ASN HA A 82 ASN HBy 1.0 1.926 4.538 853 810 A 42 ASN HA A 42 ASN HD21 1.0 1.846 8.376 854 811 A 42 ASN HA A 42 ASN HD22 1.0 1.900 7.894 855 812 A 40 LEU HDx% A 45 VAL HGx% 1.0 2.406 4.330 856 812 A 40 LEU HDy% A 45 VAL HGx% 1.0 2.406 4.330 857 813 A 45 VAL HGy% A 40 LEU HA 1.0 1.998 5.764 858 814 A 46 LEU HA A 46 LEU HBx 1.0 1.976 5.148 859 815 A 46 LEU HDx% A 41 PHE HE2 1.0 2.396 6.046 860 815 A 46 LEU HDx% A 41 PHE HE1 1.0 2.396 6.046 861 816 A 47 ASN HBy A 47 ASN HD21 1.0 2.000 6.038 862 817 A 48 GLU HBx A 48 GLU HBy 1.0 1.620 2.892 863 818 A 48 GLU HA A 48 GLU HBy 1.0 1.980 5.214 864 819 A 52 ILE HD1% A 49 THR HG2% 1.0 1.866 4.062 865 820 A 52 ILE HB A 49 THR HG2% 1.0 1.993 5.563 866 821 A 48 GLU HBx A 49 THR HG2% 1.0 1.987 6.665 867 822 A 50 SER HBy A 50 SER HBx 1.0 1.420 2.270 868 823 A 50 SER HBy A 51 PHE H 1.0 1.956 7.224 869 824 A 52 ILE HG1x A 51 PHE HBx 1.0 1.964 7.118 870 825 A 52 ILE HG1x A 51 PHE HBy 1.0 1.914 7.750 871 826 A 52 ILE HD1% A 51 PHE HBy 1.0 1.970 7.014 872 827 A 53 PHE HBy A 53 PHE HBx 1.0 1.766 3.498 873 828 A 48 GLU HBx A 53 PHE HBx 1.0 2.618 5.158 874 829 A 48 GLU HBy A 53 PHE HBy 1.0 1.811 8.649 875 830 A 54 THR HG2% A 53 PHE HBx 1.0 1.905 7.847 876 831 A 55 GLU HA A 55 GLU HBx 1.0 1.953 4.823 877 832 A 55 GLU HBy A 55 GLU HBx 1.0 1.520 2.560 878 833 A 55 GLU H A 55 GLU HBy 1.0 1.972 5.078 879 834 A 55 GLU H A 55 GLU HBx 1.0 1.997 6.319 880 835 A 55 GLU HBy A 55 GLU HGx 1.0 1.911 4.405 881 836 A 55 GLU HBx A 55 GLU HGx 1.0 1.959 4.897 882 837 A 55 GLU HA A 55 GLU HGx 1.0 1.962 4.936 883 838 A 55 GLU H A 55 GLU HGx 1.0 1.930 7.560 884 839 A 56 PHE HBy A 56 PHE HZ 1.0 1.886 8.028 885 840 A 57 LEU HA A 57 LEU HDx% 1.0 1.805 3.697 886 840 A 57 LEU HDy% A 57 LEU HA 1.0 1.805 3.697 887 841 A 57 LEU HA A 57 LEU HG 1.0 1.978 5.182 888 842 A 56 PHE HA A 57 LEU HG 1.0 1.786 8.830 889 843 A 58 GLU H A 57 LEU HG 1.0 1.995 6.397 890 844 A 57 LEU H A 57 LEU HG 1.0 1.754 3.436 891 845 A 57 LEU HDy% A 57 LEU HA 1.0 1.991 5.499 892 846 A 68 GLY HAy A 57 LEU HDx% 1.0 1.912 7.768 893 847 A 56 PHE HA A 57 LEU HDx% 1.0 1.746 9.104 894 848 A 57 LEU HBy A 58 GLU HB3 1.0 1.961 7.157 895 849 A 59 PRO HBx A 59 PRO HDy 1.0 1.998 6.234 896 850 A 59 PRO HGy A 59 PRO HDy 1.0 1.560 2.686 897 851 A 62 ASN HBx A 61 ALA HA 1.0 1.939 7.451 898 852 A 63 GLU HA A 64 THR HG2% 1.0 1.998 5.762 899 853 A 64 THR HG2% A 65 VAL HGy% 1.0 1.996 6.342 900 854 A 18 VAL HA A 18 VAL HGx% 1.0 1.644 2.980 901 855 A 24 CYS HBx A 18 VAL HGx% 1.0 1.999 5.935 902 856 A 24 CYS HBy A 18 VAL HGx% 1.0 1.901 4.323 903 857 A 19 GLU H A 18 VAL HGx% 1.0 1.937 4.645 904 858 A 18 VAL HA A 19 GLU H 1.0 1.698 3.194 905 859 A 20 MET HGy A 20 MET HGx 1.0 1.419 2.271 906 860 A 19 GLU HA A 20 MET HGx 1.0 1.845 8.385 907 861 A 19 GLU HA A 20 MET HGy 1.0 1.524 10.376 908 862 A 20 MET HA A 20 MET HE% 1.0 1.991 6.541 909 863 A 20 MET H A 20 MET HE% 1.0 1.991 6.541 910 864 A 20 MET HE% A 24 CYS H 1.0 1.999 6.247 911 865 A 24 CYS HBx A 20 MET HE% 1.0 1.723 3.297 912 866 A 25 ILE HG1x A 25 ILE HG2% 1.0 1.662 3.048 913 867 A 25 ILE HA A 25 ILE HG1y 1.0 1.953 4.819 914 868 A 25 ILE HG2% A 25 ILE HD1% 1.0 1.316 2.006 915 869 A 25 ILE HB A 25 ILE HD1% 1.0 1.603 2.831 916 870 A 25 ILE HD1% A 25 ILE H 1.0 1.993 5.533 917 871 A 25 ILE HG1x A 25 ILE HD1% 1.0 1.446 2.344 918 872 A 25 ILE HD1% A 25 ILE HG1y 1.0 1.521 2.563 919 873 A 27 PHE HD2 A 69 CYS HA 1.0 1.977 6.869 920 873 A 27 PHE HD1 A 69 CYS HA 1.0 1.977 6.869 921 874 A 69 CYS HBx A 69 CYS HBy 1.0 1.723 3.301 922 875 A 69 CYS HBy A 69 CYS H 1.0 1.999 6.163 923 876 A 70 LEU HA A 69 CYS HBx 1.0 1.802 8.712 924 877 A 70 LEU HBx A 70 LEU HA 1.0 1.986 5.330 925 878 A 25 ILE HB A 70 LEU HDy% 1.0 1.928 4.556 926 879 A 72 LEU HDx% A 23 TRP HBy 1.0 1.855 3.989 927 880 A 72 LEU HDx% A 23 TRP HBx 1.0 1.882 4.172 928 881 A 72 LEU HDx% A 72 LEU HA 1.0 1.983 5.287 929 882 A 72 LEU H A 72 LEU HDy% 1.0 1.971 6.981 930 883 A 72 LEU HDy% A 72 LEU HA 1.0 1.978 5.188 931 884 A 23 TRP HBy A 72 LEU HDy% 1.0 1.983 6.763 932 885 A 72 LEU HDx% A 72 LEU HDy% 1.0 1.532 2.598 933 886 A 74 GLN HBy A 74 GLN HBx 1.0 1.337 2.057 934 887 A 79 ASN HA A 79 ASN HBx 1.0 1.997 5.693 935 888 A 79 ASN HA A 79 ASN HBy 1.0 1.969 5.027 936 889 A 81 GLY HAy A 80 ASN HA 1.0 1.930 7.564 937 890 A 81 GLY HAx A 82 ASN HA 1.0 1.947 7.345 938 891 A 82 ASN HA A 82 ASN HBy 1.0 1.904 4.340 939 892 A 82 ASN HBy A 83 TYR HA 1.0 1.998 5.762 940 893 A 83 TYR HD2 A 83 TYR HA 1.0 1.998 6.268 941 893 A 83 TYR HD1 A 83 TYR HA 1.0 1.998 6.268 942 894 A 83 TYR HD2 A 83 TYR HBx 1.0 1.999 5.841 943 894 A 83 TYR HD1 A 83 TYR HBx 1.0 1.999 5.841 944 895 A 85 LEU HBy A 85 LEU HDy% 1.0 1.610 2.858 945 896 A 86 LEU HDx% A 85 LEU HA 1.0 1.995 6.399 946 897 A 86 LEU HBy A 86 LEU HDy% 1.0 1.525 2.575 947 898 A 86 LEU HDy% A 84 THR HG2% 1.0 1.582 2.300 948 899 A 38 ARG HBx A 86 LEU HDy% 1.0 1.778 3.558 949 900 A 93 GLN HGy A 86 LEU HDy% 1.0 1.989 6.583 950 901 A 93 GLN HGx A 86 LEU HDy% 1.0 1.984 6.748 951 902 A 86 LEU HDy% A 85 LEU H 1.0 1.982 5.266 952 903 A 87 ALA HA A 86 LEU HA 1.0 2.000 6.042 953 904 A 87 ALA HA A 37 LEU HG 1.0 1.945 4.725 954 905 A 86 LEU HBx A 87 ALA HA 1.0 1.978 5.184 955 906 A 93 GLN HBy A 88 ALA HA 1.0 1.927 4.543 956 907 A 88 ALA HB% A 88 ALA HA 1.0 1.505 2.517 957 908 A 90 PRO HA A 90 PRO HGx 1.0 1.963 7.125 958 909 A 91 CYS HA A 92 GLY H 1.0 2.000 5.882 959 910 A 92 GLY HAy A 92 GLY HAx 1.0 1.543 2.635 960 911 A 92 GLY HAy A 91 CYS H 1.0 1.801 8.723 961 912 A 92 GLY HAx A 91 CYS H 1.0 1.967 7.063 962 913 A 93 GLN HA A 92 GLY HAy 1.0 1.966 7.082 963 914 A 93 GLN HA A 93 GLN HBx 1.0 1.908 4.382 964 915 A 87 ALA H A 94 ALA HB% 1.0 1.817 3.761 965 916 A 86 LEU HBy A 95 SER HA 1.0 1.974 6.950 966 917 A 86 LEU HDx% A 95 SER HBx 1.0 1.476 2.430 967 918 A 96 ALA H A 95 SER HBx 1.0 1.998 6.232 968 919 A 97 SER HBx A 96 ALA HA 1.0 1.588 10.044 969 920 A 98 ILE HG2% A 25 ILE HD1% 1.0 1.553 2.665 970 921 A 45 VAL HB A 44 SER HA 1.0 1.947 7.361 971 922 A 45 VAL HB A 45 VAL H 1.0 1.680 3.120 972 923 A 100 ALA H A 99 MET HBx 1.0 1.992 5.506 973 924 A 98 ILE HA A 99 MET HBx 1.0 1.992 6.514 974 925 A 99 MET HA A 99 MET HBx 1.0 1.745 3.399 975 926 A 99 MET H A 99 MET HBx 1.0 1.815 3.753 976 927 A 99 MET HBy A 99 MET HBx 1.0 1.226 1.798 977 928 A 99 MET HGy A 99 MET HE% 1.0 1.827 2.691 978 929 A 99 MET HA A 99 MET HE% 1.0 1.905 4.349 979 930 A 99 MET HE% A 82 ASN HD21 1.0 1.999 6.149 980 931 A 99 MET HE% A 82 ASN HD22 1.0 1.920 4.476 981 932 A 99 MET H A 99 MET HE% 1.0 1.995 6.403 982 933 A 99 MET HE% A 81 GLY H 1.0 1.970 5.044 983 934 A 99 MET H A 100 ALA HB% 1.0 1.994 6.440 984 935 A 99 MET HBy A 100 ALA HB% 1.0 1.980 6.834 985 936 A 102 PHE H A 102 PHE HBy 1.0 1.997 6.293 986 937 A 103 MET HA A 103 MET HBx 1.0 1.754 3.442 987 938 A 104 ASP HBx A 104 ASP HBy 1.0 1.361 2.115 988 939 A 61 ALA H A 60 ALA HA 1.0 1.634 2.942 989 940 A 107 PHE H A 106 PRO HA 1.0 1.583 2.765 990 941 A 20 MET HA A 20 MET H 1.0 1.990 5.436 991 942 A 107 PHE HBx A 106 PRO HBx 1.0 1.979 5.215 992 943 A 107 PHE HBx A 106 PRO HBy 1.0 1.906 4.360 993 944 A 106 PRO HBx A 106 PRO HBy 1.0 1.257 1.869 994 945 A 106 PRO HBx A 106 PRO HGy 1.0 1.813 3.741 995 946 A 106 PRO HBy A 106 PRO HGy 1.0 1.641 2.969 996 947 A 107 PHE HBx A 106 PRO HA 1.0 2.000 5.976 997 948 A 106 PRO HA A 106 PRO HBx 1.0 1.567 2.711 998 949 A 106 PRO HA A 106 PRO HBy 1.0 1.796 3.646 999 950 A 106 PRO HDy A 106 PRO HBx 1.0 1.974 6.926 1000 951 A 106 PRO HBx A 106 PRO HDx 1.0 1.998 6.212 1001 952 A 106 PRO HBy A 106 PRO HDx 1.0 1.930 4.578 1002 953 A 106 PRO HDy A 106 PRO HBy 1.0 1.999 6.207 1003 954 A 106 PRO HDx A 106 PRO HGx 1.0 1.900 4.312 1004 955 A 106 PRO HDy A 106 PRO HGx 1.0 1.663 3.055 1005 956 A 106 PRO HA A 106 PRO HDx 1.0 1.999 6.063 1006 957 A 106 PRO HDy A 106 PRO HA 1.0 2.000 5.916 1007 958 A 105 ASN HA A 106 PRO HDx 1.0 1.705 3.221 1008 959 A 105 ASN HA A 106 PRO HDy 1.0 1.469 2.411 1009 960 A 107 PHE H A 106 PRO HDx 1.0 1.896 7.932 1010 961 A 105 ASN HBx A 106 PRO HDx 1.0 1.911 7.773 1011 962 A 105 ASN HBy A 106 PRO HDx 1.0 1.984 6.742 1012 963 A 7 SER HBx A 6 VAL HGx% 1.0 1.997 6.265 1013 964 A 6 VAL HGy% A 7 SER H 1.0 1.845 3.929 1014 965 A 18 VAL HB A 24 CYS HBy 1.0 1.814 8.628 1015 966 A 19 GLU HA A 18 VAL HGy% 1.0 2.000 6.036 1016 967 A 24 CYS HBy A 18 VAL HGy% 1.0 1.728 3.320 1017 968 A 63 GLU HBx A 65 VAL HGy% 1.0 1.766 3.496 1018 969 A 64 THR HA A 65 VAL HGx% 1.0 1.931 7.559 1019 970 A 26 PRO HGy A 26 PRO HGx 1.0 1.478 2.436 1020 971 A 26 PRO HDx A 26 PRO HDy 1.0 1.634 2.944 1021 972 A 21 HIS HA A 21 HIS HBx 1.0 1.984 6.736 1022 973 A 78 VAL HGy% A 77 HIS HE1 1.0 1.740 9.148 1023 973 A 78 VAL HGx% A 77 HIS HE1 1.0 1.740 9.148 1024 974 A 67 HIS HBx A 67 HIS HE1 1.0 1.602 9.968 1025 975 A 77 HIS HBx A 79 ASN HBx 1.0 1.838 8.436 1026 976 A 83 TYR HBx A 83 TYR HE2 1.0 1.945 7.387 1027 976 A 83 TYR HBx A 83 TYR HE1 1.0 1.945 7.387 1028 977 A 8 PHE HD1 A 6 VAL HGx% 1.0 1.886 4.200 1029 977 A 8 PHE HD1 A 6 VAL HGy% 1.0 1.886 4.200 1030 978 A 52 ILE HA A 53 PHE HD2 1.0 1.812 8.640 1031 978 A 52 ILE HA A 53 PHE HD1 1.0 1.812 8.640 1032 979 A 41 PHE HBy A 41 PHE HE2 1.0 1.939 7.467 1033 979 A 41 PHE HBy A 41 PHE HE1 1.0 1.939 7.467 1034 980 A 56 PHE HD2 A 55 GLU HA 1.0 1.763 8.991 1035 980 A 56 PHE HD1 A 55 GLU HA 1.0 1.763 8.991 1036 981 A 41 PHE HBx A 46 LEU HDy% 1.0 1.873 4.107 1037 982 A 25 ILE HB A 70 LEU HDx% 1.0 1.978 6.860 1038 983 A 70 LEU HBx A 70 LEU HG 1.0 1.820 3.782 1039 984 A 25 ILE HB A 70 LEU HBx 1.0 1.778 3.554 1040 985 A 85 LEU HBy A 85 LEU HG 1.0 1.900 4.310 1041 986 A 86 LEU HDx% A 85 LEU HBy 1.0 1.992 6.498 1042 987 A 97 SER HA A 84 THR HA 1.0 1.810 3.726 1043 988 A 84 THR HB A 84 THR HG2% 1.0 1.542 2.628 1044 989 A 100 ALA H A 99 MET HE% 1.0 1.985 5.311 1045 990 A 81 GLY HAy A 99 MET HE% 1.0 1.658 3.034 1046 991 A 104 ASP H A 103 MET HG3 1.0 1.875 8.123 1047 992 A 46 LEU HBy A 39 TRP HBy 1.0 1.978 6.856 1048 993 A 39 TRP HA A 39 TRP HBy 1.0 1.957 4.867 1049 994 A 39 TRP HBy A 39 TRP HD1 1.0 1.934 7.522 1050 995 A 21 HIS HA A 21 HIS HE1 1.0 1.808 8.668 1051 996 A 21 HIS HA A 21 HIS H 1.0 1.998 5.714 1052 997 A 77 HIS HA A 77 HIS HD2 1.0 1.959 7.197 1053 998 A 78 VAL HA A 77 HIS HD2 1.0 1.978 5.198 1054 999 A 74 GLN HGx A 74 GLN HE22 1.0 0.941 6.429 1055 1000 A 74 GLN HGx A 74 GLN HE21 1.0 0.985 5.699 1056 1001 A 74 GLN HGy A 74 GLN HE22 1.0 0.940 6.446 1057 1002 A 74 GLN HGy A 74 GLN HE21 1.0 1.983 5.295 1058 1003 A 74 GLN HA A 74 GLN HGy 1.0 1.982 5.272 1059 1004 A 106 PRO HA A 106 PRO HGy 1.0 1.970 7.012 1060 1005 A 63 GLU HBx A 63 GLU HGx 1.0 1.589 2.783 1061 1006 A 63 GLU HGy A 64 THR HG2% 1.0 1.846 8.378 1062 1007 A 45 VAL HGx% A 46 LEU HBx 1.0 1.866 8.206 1063 1008 A 75 PRO HA A 72 LEU HDx% 1.0 1.980 5.224 1064 1009 A 72 LEU HBy A 72 LEU HDy% 1.0 1.602 2.832 1065 1010 A 86 LEU HDy% A 95 SER HA 1.0 1.979 5.203 1066 1011 A 85 LEU HBx A 85 LEU HG 1.0 1.679 3.115 1067 1012 A 32 GLN HGx A 64 THR HG2% 1.0 1.748 3.416 1068 1013 A 87 ALA HA A 37 LEU HA 1.0 1.736 3.356 1069 1014 A 107 PHE H A 106 PRO HBx 1.0 1.966 7.092 1070 1015 A 25 ILE HG1x A 70 LEU HG 1.0 1.966 7.074 1071 1016 A 25 ILE HG1y A 70 LEU HG 1.0 1.999 5.899 1072 1017 A 37 LEU HDy% A 35 PRO HGx 1.0 2.623 3.903 1073 1018 A 46 LEU HBy A 46 LEU HG 1.0 1.899 4.309 1074 1019 A 14 LEU HDy% A 98 ILE HB 1.0 1.969 5.043 1075 1020 A 14 LEU HDx% A 39 TRP HH2 1.0 1.844 3.922 1076 1021 A 14 LEU HDy% A 39 TRP HH2 1.0 1.529 2.587 1077 1022 A 28 SER HBx A 13 GLN HGy 1.0 1.940 7.438 1078 1023 A 88 ALA HB% A 36 SER HBy 1.0 1.996 6.336 1079 1024 A 17 ALA HB% A 18 VAL HGx% 1.0 2.471 4.701 1080 1025 A 70 LEU HBy A 25 ILE HD1% 1.0 1.932 4.598 1081 1026 A 25 ILE HD1% A 70 LEU HG 1.0 2.615 4.165 1082 1027 A 100 ALA HB% A 25 ILE HD1% 1.0 2.115 3.665 1083 1028 A 30 ASP HBx A 28 SER HBy 1.0 1.972 6.970 1084 1029 A 65 VAL HGy% A 28 SER HBy 1.0 1.934 4.614 1085 1030 A 57 LEU HDx% A 67 HIS HBy 1.0 1.839 3.891 1086 1031 A 70 LEU H A 69 CYS HBx 1.0 1.989 6.581 1087 1032 A 55 GLU HBy A 55 GLU HGy 1.0 1.953 4.817 1088 1033 A 89 ASN HBx A 35 PRO HGy 1.0 1.999 6.203 1089 1034 A 89 ASN HBy A 35 PRO HGy 1.0 1.818 8.594 1090 1035 A 23 TRP HBx A 23 TRP HBy 1.0 1.731 3.337 1091 1036 A 25 ILE HB A 25 ILE HG1y 1.0 1.836 3.872 1092 1037 A 26 PRO HBx A 69 CYS HBy 1.0 1.901 7.885 1093 1038 A 26 PRO HBy A 69 CYS HBy 1.0 1.992 6.536 1094 1039 A 26 PRO HBx A 26 PRO HDy 1.0 1.993 6.485 1095 1040 A 65 VAL HA A 30 ASP HA 1.0 1.766 3.496 1096 1041 A 66 ARG HBx A 65 VAL HGy% 1.0 1.954 7.264 1097 1042 A 29 VAL HGy% A 66 ARG HBx 1.0 1.972 5.080 1098 1043 A 67 HIS HBy A 57 LEU HG 1.0 1.896 4.276 1099 1044 A 68 GLY HAx A 68 GLY HAy 1.0 1.563 2.699 1100 1045 A 37 LEU HBx A 36 SER HA 1.0 1.863 8.237 1101 1046 A 37 LEU HBy A 36 SER HA 1.0 1.488 10.560 1102 1047 A 37 LEU HBy A 37 LEU HG 1.0 1.813 3.741 1103 1048 A 37 LEU HDx% A 38 ARG H 1.0 1.985 6.705 1104 1049 A 37 LEU HDx% A 37 LEU HBy 1.0 1.530 2.594 1105 1050 A 37 LEU HDy% A 38 ARG HBx 1.0 1.998 6.244 1106 1051 A 38 ARG HE A 38 ARG HGx 1.0 1.996 6.356 1107 1052 A 38 ARG H A 38 ARG HGx 1.0 1.948 7.342 1108 1053 A 40 LEU HBx A 40 LEU HA 1.0 1.982 5.256 1109 1054 A 40 LEU HBy A 40 LEU HA 1.0 1.909 4.385 1110 1055 A 40 LEU HDx% A 84 THR HB 1.0 2.000 5.920 1111 1056 A 81 GLY HAy A 82 ASN HBy 1.0 1.880 8.082 1112 1057 A 81 GLY HAx A 82 ASN HBy 1.0 1.979 6.831 1113 1058 A 42 ASN HA A 82 ASN HBx 1.0 1.984 6.716 1114 1059 A 32 GLN HBy A 32 GLN HGy 1.0 1.777 3.553 1115 1060 A 32 GLN HBx A 32 GLN HBy 1.0 1.346 2.080 1116 1061 A 47 ASN HBx A 47 ASN HBy 1.0 1.417 2.263 1117 1062 A 46 LEU HA A 47 ASN HBx 1.0 1.920 7.684 1118 1063 A 46 LEU HA A 47 ASN HBy 1.0 1.836 8.452 1119 1064 A 52 ILE HB A 72 LEU HDy% 1.0 1.999 5.849 1120 1065 A 46 LEU HBx A 46 LEU HG 1.0 1.790 3.620 1121 1066 A 48 GLU HGx A 46 LEU HG 1.0 1.950 4.784 1122 1067 A 39 TRP HBy A 46 LEU HG 1.0 1.999 5.855 1123 1068 A 46 LEU HA A 46 LEU HG 1.0 1.871 4.097 1124 1069 A 52 ILE HG2% A 72 LEU HA 1.0 1.936 4.634 1125 1070 A 53 PHE HA A 52 ILE HG2% 1.0 1.944 4.724 1126 1071 A 14 LEU HA A 96 ALA HB% 1.0 1.999 5.833 1127 1072 A 70 LEU HDy% A 25 ILE HG1y 1.0 1.921 4.483 1128 1073 A 25 ILE HG1x A 70 LEU HDy% 1.0 1.994 5.588 1129 1074 A 99 MET HBy A 81 GLY HAy 1.0 1.977 6.879 1130 1075 A 42 ASN HD22 A 81 GLY HAy 1.0 2.000 6.016 1131 1076 A 80 ASN HD22 A 77 HIS HBy 1.0 1.970 5.062 1132 1077 A 80 ASN HD22 A 77 HIS HBx 1.0 1.991 6.561 1133 1078 A 78 VAL HGy% A 77 HIS HD2 1.0 1.981 6.799 1134 1079 A 78 VAL HGx% A 77 HIS HD2 1.0 3.722 6.298 1135 1080 A 79 ASN HBx A 83 TYR HE2 1.0 1.259 11.613 1136 1080 A 79 ASN HBx A 83 TYR HE1 1.0 1.259 11.613 1137 1081 A 79 ASN HBy A 83 TYR HE2 1.0 1.899 7.907 1138 1081 A 79 ASN HBy A 83 TYR HE1 1.0 1.899 7.907 1139 1082 A 98 ILE HB A 99 MET HBx 1.0 1.833 8.479 1140 1083 A 100 ALA HB% A 99 MET HA 1.0 1.966 4.988 1141 1084 A 81 GLY HAx A 99 MET HE% 1.0 1.985 5.329 1142 1085 A 95 SER HBy A 84 THR HG2% 1.0 1.627 2.919 1143 1086 A 85 LEU HDx% A 39 TRP HBy 1.0 2.000 6.016 1144 1087 A 38 ARG HA A 85 LEU HDx% 1.0 1.999 5.771 1145 1088 A 86 LEU HA A 85 LEU HDx% 1.0 1.996 6.374 1146 1089 A 46 LEU HDy% A 39 TRP HA 1.0 1.996 5.646 1147 1090 A 40 LEU HDy% A 84 THR HB 1.0 1.814 3.746 1148 1091 A 23 TRP HBy A 23 TRP HE3 1.0 1.982 5.268 1149 1092 A 24 CYS HA A 23 TRP HA 1.0 1.951 7.307 1150 1093 A 24 CYS HBy A 23 TRP HA 1.0 1.874 8.130 1151 1094 A 24 CYS HBx A 23 TRP HA 1.0 1.967 7.055 1152 1095 A 25 ILE HG1x A 25 ILE HG1y 1.0 1.477 2.431 1153 1096 A 70 LEU H A 25 ILE HG2% 1.0 1.998 6.288 1154 1097 A 39 TRP HH2 A 25 ILE HG2% 1.0 1.641 2.971 1155 1098 A 70 LEU H A 25 ILE HD1% 1.0 1.967 7.071 1156 1099 A 25 ILE HA A 25 ILE HD1% 1.0 2.000 5.948 1157 1100 A 65 VAL HGy% A 28 SER HA 1.0 1.980 6.824 1158 1101 A 64 THR HA A 65 VAL HGy% 1.0 1.984 6.730 1159 1102 A 27 PHE HE2 A 69 CYS HA 1.0 2.000 6.048 1160 1102 A 27 PHE HE1 A 69 CYS HA 1.0 2.000 6.048 1161 1103 A 69 CYS HA A 26 PRO HA 1.0 1.933 4.601 1162 1104 A 26 PRO HGy A 69 CYS HA 1.0 1.822 8.570 1163 1105 A 25 ILE HG1x A 72 LEU HDx% 1.0 2.472 4.702 1164 1106 A 72 LEU HDx% A 71 ARG HA 1.0 1.983 5.281 1165 1107 A 72 LEU HDx% A 73 ASN H 1.0 1.901 7.879 1166 1108 A 54 THR HG2% A 55 GLU HBy 1.0 1.974 6.944 1167 1109 A 70 LEU HBy A 70 LEU HG 1.0 1.990 5.444 1168 1110 A 25 ILE HG1x A 70 LEU HBx 1.0 1.964 7.098 1169 1111 A 89 ASN HBx A 91 CYS HBy 1.0 1.912 7.764 1170 1112 A 89 ASN HBy A 91 CYS HBy 1.0 1.987 6.663 1171 1113 A 48 GLU HGx A 54 THR HB 1.0 2.967 7.055 1172 1114 A 26 PRO HA A 70 LEU HA 1.0 1.232 11.724 1173 1115 A 70 LEU HBx A 25 ILE HG1y 1.0 1.963 4.953 1174 1116 A 70 LEU H A 24 CYS HA 1.0 1.997 6.333 1175 1117 A 23 TRP HBx A 72 LEU HDy% 1.0 1.950 7.306 1176 1118 A 73 ASN HA A 72 LEU HDy% 1.0 1.608 9.932 1177 1119 A 79 ASN HD21 A 72 LEU HDy% 1.0 1.937 4.641 1178 1120 A 72 LEU HDy% A 23 TRP HD1 1.0 1.987 5.367 1179 1121 A 72 LEU HDy% A 73 ASN H 1.0 1.986 6.686 1180 1122 A 72 LEU HDx% A 24 CYS H 1.0 1.994 6.460 1181 1123 A 71 ARG H A 72 LEU HDx% 1.0 1.996 6.378 1182 1124 A 72 LEU HDx% A 23 TRP HE3 1.0 1.973 6.949 1183 1125 A 83 TYR HD2 A 72 LEU HDx% 1.0 2.487 4.809 1184 1125 A 83 TYR HD1 A 72 LEU HDx% 1.0 2.487 4.809 1185 1126 A 79 ASN HD21 A 72 LEU HDx% 1.0 2.966 6.082 1186 1127 A 81 GLY HAy A 100 ALA H 1.0 1.916 7.722 1187 1128 A 81 GLY HAx A 100 ALA H 1.0 1.993 6.497 1188 1129 A 83 TYR HBy A 83 TYR HA 1.0 1.978 5.180 1189 1130 A 40 LEU HG A 83 TYR HA 1.0 1.954 7.262 1190 1131 A 40 LEU HDx% A 41 PHE HD1 1.0 1.390 11.028 1191 1131 A 40 LEU HDx% A 41 PHE HD2 1.0 1.390 11.028 1192 1132 A 99 MET HBy A 98 ILE H 1.0 1.613 9.911 1193 1133 A 99 MET HBx A 81 GLY H 1.0 1.800 8.732 1194 1134 A 82 ASN HA A 99 MET HBx 1.0 1.989 5.429 1195 1135 A 68 GLY HAx A 56 PHE HE2 1.0 1.610 9.920 1196 1135 A 68 GLY HAx A 56 PHE HE1 1.0 1.610 9.920 1197 1136 A 68 GLY HAx A 56 PHE HA 1.0 1.997 5.689 1198 1137 A 68 GLY HAx A 56 PHE HBx 1.0 1.378 11.080 1199 1138 A 68 GLY HAx A 56 PHE HBy 1.0 1.835 8.465 1200 1139 A 70 LEU HDx% A 25 ILE H 1.0 1.914 7.746 1201 1140 A 98 ILE HA A 97 SER HA 1.0 1.952 7.284 1202 1141 A 98 ILE HD1% A 83 TYR HBx 1.0 1.989 5.429 1203 1142 A 98 ILE HD1% A 83 TYR HBy 1.0 1.851 3.967 1204 1143 A 98 ILE HD1% A 16 THR H 1.0 1.971 5.059 1205 1144 A 8 PHE HD2 A 6 VAL HGx% 1.0 1.865 4.059 1206 1144 A 8 PHE HD1 A 6 VAL HGx% 1.0 1.865 4.059 1207 1145 A 8 PHE HBy A 7 SER HBx 1.0 1.611 9.921 1208 1146 A 91 CYS HBx A 9 CYS HB3 1.0 1.949 7.331 1209 1147 A 10 ALA HB% A 89 ASN HD21 1.0 1.885 4.193 1210 1148 A 89 ASN HBx A 10 ALA HB% 1.0 1.749 3.419 1211 1149 A 89 ASN HBy A 10 ALA HB% 1.0 1.960 4.900 1212 1150 A 12 VAL H A 12 VAL HB 1.0 1.794 3.636 1213 1151 A 12 VAL HGx% A 12 VAL HA 1.0 1.637 2.955 1214 1152 A 11 SER HA A 12 VAL HGy% 1.0 1.824 3.800 1215 1153 A 12 VAL HGy% A 94 ALA HA 1.0 1.936 4.632 1216 1154 A 27 PHE HA A 13 GLN HBy 1.0 1.994 6.430 1217 1155 A 28 SER HBy A 13 GLN HBx 1.0 1.595 10.003 1218 1156 A 13 GLN HBy A 14 LEU HBy 1.0 1.926 7.620 1219 1157 A 13 GLN HGx A 96 ALA HB% 1.0 2.000 6.032 1220 1158 A 13 GLN HGx A 12 VAL HA 1.0 1.999 5.853 1221 1159 A 13 GLN HGx A 28 SER H 1.0 1.956 7.228 1222 1160 A 27 PHE HBy A 14 LEU HDy% 1.0 1.523 2.569 1223 1161 A 27 PHE HA A 14 LEU HDx% 1.0 1.986 6.678 1224 1162 A 15 HIS HBy A 26 PRO HBy 1.0 1.608 9.930 1225 1163 A 15 HIS HBy A 26 PRO HBx 1.0 1.919 7.689 1226 1164 A 15 HIS HD2 A 26 PRO HBy 1.0 1.960 7.174 1227 1165 A 98 ILE HG1x A 16 THR HA 1.0 1.907 4.369 1228 1166 A 17 ALA HB% A 23 TRP HE3 1.0 1.683 3.131 1229 1167 A 17 ALA HB% A 23 TRP HBx 1.0 1.931 7.555 1230 1168 A 17 ALA HB% A 23 TRP HBy 1.0 1.996 5.642 1231 1169 A 17 ALA HB% A 100 ALA HB% 1.0 2.321 3.419 1232 1170 A 17 ALA HB% A 25 ILE HG1y 1.0 2.080 3.868 1233 1171 A 18 VAL HA A 17 ALA HA 1.0 1.951 7.305 1234 1172 A 18 VAL HGx% A 24 CYS H 1.0 1.999 6.211 1235 1173 A 19 GLU HA A 18 VAL HA 1.0 1.968 7.048 1236 1174 A 18 VAL HGy% A 20 MET HE% 1.0 1.395 2.205 1237 1175 A 23 TRP HZ2 A 102 PHE HD2 1.0 1.610 9.922 1238 1175 A 102 PHE HD1 A 23 TRP HZ2 1.0 1.610 9.922 1239 1176 A 24 CYS HA A 69 CYS HBy 1.0 1.998 6.222 1240 1177 A 25 ILE HG1x A 70 LEU H 1.0 1.688 9.474 1241 1178 A 48 GLU HBx A 53 PHE HBx 1.0 1.953 7.261 1242 1179 A 53 PHE HD2 A 55 GLU HBx 1.0 2.949 5.053 1243 1179 A 53 PHE HD1 A 55 GLU HBx 1.0 2.949 5.053 1244 1180 A 55 GLU H A 54 THR HB 1.0 1.999 5.801 1245 1181 A 67 HIS HBx A 57 LEU HBx 1.0 1.961 7.155 1246 1182 A 68 GLY HAy A 57 LEU HG 1.0 1.953 7.267 1247 1183 A 57 LEU HDy% A 67 HIS HBy 1.0 1.665 3.061 1248 1184 A 57 LEU HDy% A 67 HIS HBx 1.0 1.761 3.471 1249 1185 A 57 LEU HDy% A 67 HIS HD2 1.0 1.978 6.866 1250 1186 A 57 LEU HDy% A 67 HIS H 1.0 1.995 6.385 1251 1187 A 57 LEU HDx% A 68 GLY H 1.0 1.848 8.356 1252 1188 A 67 HIS HA A 57 LEU HDx% 1.0 1.864 8.224 1253 1189 A 68 GLY HAx A 57 LEU HDx% 1.0 1.983 6.751 1254 1190 A 67 HIS HBx A 57 LEU HDx% 1.0 1.990 6.584 1255 1191 A 66 ARG HGy A 67 HIS H 1.0 1.865 8.217 1256 1192 A 66 ARG HDy A 67 HIS H 1.0 1.684 9.496 1257 1193 A 66 ARG HDx A 67 HIS H 1.0 1.613 9.903 1258 1194 A 57 LEU HBy A 67 HIS HD2 1.0 1.909 7.795 1259 1195 A 67 HIS HBy A 67 HIS HE1 1.0 1.396 11.000 1260 1196 A 68 GLY HAx A 28 SER HA 1.0 1.842 8.406 1261 1197 A 70 LEU HBy A 69 CYS HA 1.0 1.972 6.968 1262 1198 A 55 GLU HA A 69 CYS HBy 1.0 1.502 10.488 1263 1199 A 26 PRO HGx A 69 CYS HBy 1.0 1.978 5.188 1264 1200 A 26 PRO HGx A 69 CYS HBx 1.0 1.954 7.270 1265 1201 A 70 LEU HA A 25 ILE HD1% 1.0 1.854 8.312 1266 1202 A 69 CYS HA A 70 LEU HA 1.0 1.916 7.726 1267 1203 A 68 GLY HAx A 67 HIS H 1.0 1.996 6.358 1268 1204 A 68 GLY HAx A 57 LEU HBx 1.0 1.989 5.439 1269 1205 A 68 GLY HAx A 57 LEU HBy 1.0 1.869 8.179 1270 1206 A 27 PHE HA A 14 LEU HA 1.0 1.865 4.059 1271 1207 A 14 LEU HA A 14 LEU HBx 1.0 1.993 5.551 1272 1208 A 14 LEU HDy% A 28 SER H 1.0 1.997 6.333 1273 1209 A 13 GLN HE21 A 13 GLN HBx 1.0 1.791 8.795 1274 1210 A 27 PHE HA A 28 SER HBy 1.0 1.502 10.488 1275 1211 A 29 VAL HGy% A 66 ARG HE 1.0 1.991 5.481 1276 1212 A 29 VAL HGy% A 66 ARG HDx 1.0 1.990 5.440 1277 1213 A 29 VAL HGy% A 66 ARG HDy 1.0 2.372 4.128 1278 1214 A 29 VAL HGx% A 66 ARG HE 1.0 1.931 4.579 1279 1215 A 72 LEU HBx A 72 LEU HDy% 1.0 1.947 4.755 1280 1216 A 68 GLY HAx A 57 LEU HG 1.0 1.949 4.779 1281 1217 A 12 VAL HGy% A 87 ALA H 1.0 1.652 3.012 1282 1218 A 39 TRP HH2 A 25 ILE HD1% 1.0 1.908 4.374 1283 1219 A 26 PRO HGy A 26 PRO HDy 1.0 1.966 4.996 1284 1220 A 93 GLN HA A 10 ALA HB% 1.0 2.718 4.768 1285 1221 A 13 GLN H A 12 VAL HGx% 1.0 1.665 3.063 1286 1222 A 29 VAL HA A 12 VAL HGx% 1.0 1.963 4.945 1287 1223 A 29 VAL HA A 12 VAL HB 1.0 1.980 6.822 1288 1224 A 12 VAL HA A 12 VAL HB 1.0 1.786 3.598 1289 1225 A 11 SER HA A 12 VAL HGx% 1.0 1.988 5.404 1290 1226 A 12 VAL HGy% A 12 VAL HA 1.0 1.662 3.050 1291 1227 A 29 VAL HA A 12 VAL HGy% 1.0 1.904 4.342 1292 1228 A 12 VAL HGy% A 95 SER HA 1.0 1.795 3.643 1293 1229 A 12 VAL HGx% A 86 LEU HA 1.0 2.000 5.980 1294 1230 A 11 SER HA A 12 VAL HB 1.0 2.000 5.902 1295 1231 A 29 VAL HGx% A 12 VAL HGx% 1.0 2.531 4.233 1296 1232 A 29 VAL HGy% A 12 VAL HGy% 1.0 2.499 4.237 1297 1233 A 12 VAL HGy% A 96 ALA H 1.0 1.925 4.519 1298 1234 A 37 LEU HDx% A 29 VAL HGx% 1.0 1.604 2.448 1299 1235 A 37 LEU HDy% A 29 VAL HGy% 1.0 1.743 2.635 1300 1236 A 37 LEU HDy% A 29 VAL HGx% 1.0 1.699 2.565 1301 1237 A 29 VAL HGx% A 85 LEU HDy% 1.0 2.337 3.415 1302 1238 A 24 CYS HBy A 20 MET HE% 1.0 1.726 3.314 1303 1239 A 55 GLU HA A 55 GLU HGy 1.0 1.967 4.993 1304 1240 A 55 GLU HGx A 53 PHE HE2 1.0 2.039 3.723 1305 1240 A 55 GLU HGx A 53 PHE HE1 1.0 2.039 3.723 1306 1241 A 37 LEU HDy% A 66 ARG HE 1.0 1.991 5.481 1307 1242 A 37 LEU HDy% A 85 LEU HDx% 1.0 1.461 2.387 1308 1243 A 37 LEU HDy% A 56 PHE HZ 1.0 2.999 5.211 1309 1244 A 37 LEU HDy% A 37 LEU HG 1.0 1.682 2.324 1310 1245 A 45 VAL HB A 45 VAL HGy% 1.0 1.325 2.027 1311 1246 A 65 VAL HB A 65 VAL HGx% 1.0 1.343 2.071 1312 1247 A 12 VAL HGx% A 12 VAL HB 1.0 1.372 2.146 1313 1248 A 12 VAL HGx% A 94 ALA HB% 1.0 2.149 3.701 1314 1249 A 12 VAL HGx% A 85 LEU HDy% 1.0 1.280 1.922 1315 1250 A 12 VAL HGx% A 87 ALA HB% 1.0 2.448 3.948 1316 1251 A 12 VAL HGx% A 14 LEU HDx% 1.0 2.140 3.066 1317 1252 A 12 VAL HGx% A 95 SER HA 1.0 1.875 4.129 1318 1253 A 12 VAL HGx% A 85 LEU HDx% 1.0 1.848 3.946 1319 1254 A 14 LEU H A 12 VAL HGx% 1.0 1.950 4.790 1320 1255 A 12 VAL HGx% A 96 ALA H 1.0 1.860 4.028 1321 1256 A 60 ALA HB% A 63 GLU HBy 1.0 1.788 3.612 1322 1257 A 10 ALA HB% A 35 PRO HGy 1.0 1.655 3.025 1323 1258 A 35 PRO HBx A 10 ALA HB% 1.0 1.660 3.040 1324 1259 A 10 ALA HB% A 12 VAL HGx% 1.0 3.160 5.340 1325 1260 A 10 ALA HB% A 87 ALA HB% 1.0 2.160 3.540 1326 1261 A 6 VAL HB A 6 VAL HGx% 1.0 1.336 2.054 1327 1262 A 65 VAL HGy% A 65 VAL HB 1.0 1.340 2.062 1328 1263 A 29 VAL HGy% A 29 VAL HB 1.0 1.730 2.440 1329 1264 A 29 VAL HGy% A 35 PRO HGx 1.0 1.489 2.469 1330 1265 A 29 VAL HGy% A 35 PRO HGy 1.0 1.418 2.268 1331 1266 A 83 TYR HD1 A 25 ILE HD1% 1.0 1.925 4.529 1332 1266 A 83 TYR HD2 A 25 ILE HD1% 1.0 1.925 4.529 1333 1267 A 83 TYR HBx A 25 ILE HD1% 1.0 1.922 4.496 1334 1268 A 83 TYR HBy A 25 ILE HD1% 1.0 1.760 3.472 1335 1269 A 52 ILE HD1% A 79 ASN HD21 1.0 1.779 3.563 1336 1270 A 52 ILE HD1% A 79 ASN HD22 1.0 1.608 2.850 1337 1271 A 52 ILE HD1% A 72 LEU HDy% 1.0 2.441 3.329 1338 1272 A 52 ILE HD1% A 70 LEU HDy% 1.0 2.889 4.359 1339 1273 A 52 ILE HD1% A 70 LEU HDx% 1.0 3.364 5.288 1340 1274 A 52 ILE HG2% A 70 LEU HDy% 1.0 2.680 4.442 1341 1275 A 52 ILE HG2% A 70 LEU HDx% 1.0 2.158 2.952 1342 1276 A 52 ILE HG2% A 72 LEU HDy% 1.0 1.427 2.293 1343 1277 A 82 ASN HA A 99 MET HE% 1.0 1.858 4.012 1344 1278 A 99 MET HE% A 82 ASN H 1.0 1.891 4.239 1345 1279 A 78 VAL HGy% A 78 VAL HB 1.0 1.361 2.115 1346 1280 A 45 VAL H A 45 VAL HGx% 1.0 1.814 3.746 1347 1281 A 14 LEU H A 96 ALA HB% 1.0 1.687 3.147 1348 1282 A 93 GLN HE22 A 86 LEU HDx% 1.0 1.859 4.017 1349 1283 A 37 LEU HBy A 85 LEU HDx% 1.0 1.644 2.982 1350 1284 A 13 GLN HA A 96 ALA HB% 1.0 1.758 3.456 1351 1285 A 83 TYR HD1 A 100 ALA HB% 1.0 1.874 4.116 1352 1285 A 83 TYR HD2 A 100 ALA HB% 1.0 1.874 4.116 1353 1286 A 100 ALA HB% A 83 TYR HE1 1.0 2.583 4.229 1354 1286 A 100 ALA HB% A 83 TYR HE2 1.0 2.583 4.229 1355 1287 A 25 ILE HG1x A 100 ALA HB% 1.0 2.350 3.656 1356 1288 A 100 ALA HB% A 25 ILE HD1% 1.0 1.999 2.839 1357 1289 A 40 LEU HDx% A 40 LEU HG 1.0 1.347 2.083 1358 1290 A 57 LEU HDx% A 58 GLU HB3 1.0 1.850 3.958 1359 1291 A 40 LEU HDx% A 44 SER HA 1.0 1.995 5.611 1360 1292 A 57 LEU HBx A 57 LEU HDx% 1.0 1.763 3.481 1361 1293 A 12 VAL HGy% A 94 ALA HB% 1.0 1.613 2.869 1362 1294 A 11 SER HA A 94 ALA HB% 1.0 2.002 3.006 1363 1295 A 87 ALA HB% A 94 ALA HB% 1.0 1.691 2.493 1364 1296 A 87 ALA HB% A 85 LEU HDx% 1.0 1.912 4.408 1365 1297 A 98 ILE HD1% A 16 THR HG2% 1.0 1.755 3.443 1366 1298 A 6 VAL HGy% A 6 VAL HB 1.0 1.328 2.034 1367 1299 A 12 VAL HGx% A 85 LEU HDy% 1.0 1.351 2.093 1368 1299 A 12 VAL HGy% A 85 LEU HDy% 1.0 1.351 2.093 1369 1300 A 12 VAL HGy% A 12 VAL HB 1.0 1.394 2.202 1370 1300 A 12 VAL HGx% A 12 VAL HB 1.0 1.394 2.202 1371 1301 A 78 VAL HGx% A 78 VAL HB 1.0 1.657 2.407 1372 1302 A 46 LEU HDy% A 70 LEU HDx% 1.0 2.419 3.657 1373 1303 A 70 LEU HDx% A 70 LEU HG 1.0 1.457 2.375 1374 1304 A 85 LEU HDy% A 85 LEU HDx% 1.0 1.767 2.391 1375 1305 A 85 LEU HDx% A 85 LEU HG 1.0 1.694 2.352 1376 1306 A 37 LEU HBx A 85 LEU HDx% 1.0 1.913 4.419 1377 1307 A 12 VAL HGx% A 85 LEU HDx% 1.0 1.754 3.440 1378 1307 A 12 VAL HGy% A 85 LEU HDx% 1.0 1.754 3.440 1379 1308 A 70 LEU HDx% A 70 LEU HDy% 1.0 1.318 2.012 1380 1309 A 64 THR H A 65 VAL HGy% 1.0 1.879 4.149 1381 1310 A 32 GLN HA A 34 ALA HB% 1.0 2.760 5.706 1382 1311 A 83 TYR HD1 A 70 LEU HDy% 1.0 1.917 4.449 1383 1311 A 83 TYR HD2 A 70 LEU HDy% 1.0 1.917 4.449 1384 1312 A 39 TRP HH2 A 70 LEU HDy% 1.0 1.885 4.197 1385 1313 A 83 TYR HE1 A 70 LEU HDy% 1.0 1.938 4.662 1386 1313 A 83 TYR HE2 A 70 LEU HDy% 1.0 1.938 4.662 1387 1314 A 46 LEU HDy% A 83 TYR HD1 1.0 2.236 4.934 1388 1314 A 46 LEU HDy% A 83 TYR HD2 1.0 2.236 4.934 1389 1315 A 46 LEU HDy% A 83 TYR HE1 1.0 2.321 4.397 1390 1315 A 46 LEU HDy% A 83 TYR HE2 1.0 2.321 4.397 1391 1316 A 14 LEU HDx% A 97 SER HA 1.0 1.874 4.118 1392 1317 A 14 LEU HDy% A 97 SER HA 1.0 1.997 5.703 1393 1318 A 106 PRO HGy A 106 PRO HDx 1.0 1.684 3.136 1394 1319 A 106 PRO HDy A 106 PRO HGy 1.0 1.797 3.653 1395 1320 A 75 PRO HA A 72 LEU HBy 1.0 1.843 3.917 1396 1321 A 95 SER HA A 84 THR HG2% 1.0 1.964 4.968 1397 1322 A 98 ILE HD1% A 99 MET HA 1.0 1.788 3.610 1398 1323 A 93 GLN HA A 88 ALA HB% 1.0 1.915 4.431 1399 1324 A 72 LEU HG A 72 LEU HDy% 1.0 1.514 2.542 1400 1325 A 85 LEU HDy% A 85 LEU HG 1.0 1.337 2.059 1401 1326 A 27 PHE HBx A 85 LEU HDy% 1.0 1.747 3.407 1402 1327 A 27 PHE HBy A 85 LEU HDy% 1.0 1.848 3.948 1403 1328 A 46 LEU H A 46 LEU HDy% 1.0 1.982 6.782 1404 1329 A 39 TRP HBy A 70 LEU HDy% 1.0 1.910 4.400 1405 1330 A 57 LEU HDy% A 68 GLY H 1.0 1.991 5.469 1406 1331 A 86 LEU HDx% A 96 ALA H 1.0 1.978 5.178 1407 1332 A 37 LEU HDy% A 29 VAL HB 1.0 1.561 2.691 1408 1333 A 12 VAL HGx% A 96 ALA HB% 1.0 1.517 2.567 1409 1334 A 40 LEU HDx% A 45 VAL HB 1.0 2.473 4.711 1410 1335 A 98 ILE HD1% A 16 THR HA 1.0 2.254 3.366 1411 1336 A 98 ILE HD1% A 25 ILE HD1% 1.0 2.316 3.346 1412 1337 A 96 ALA HB% A 12 VAL HB 1.0 2.273 4.511 1413 1338 A 46 LEU HBy A 40 LEU HA 1.0 2.983 5.001 1414 1339 A 23 TRP HZ3 A 23 TRP HZ2 1.0 1.999 6.109 1415 1340 A 23 TRP HZ3 A 23 TRP HE3 1.0 1.859 4.013 1416 1341 A 23 TRP HZ2 A 23 TRP HH2 1.0 1.566 2.708 1417 1342 A 23 TRP HZ3 A 23 TRP HH2 1.0 1.649 2.999 1418 1343 A 53 PHE HD2 A 53 PHE HE1 1.0 1.883 4.187 1419 1343 A 53 PHE HD1 A 53 PHE HE2 1.0 1.883 4.187 1420 1343 A 53 PHE HD1 A 53 PHE HE1 1.0 1.883 4.187 1421 1343 A 53 PHE HD2 A 53 PHE HE2 1.0 1.883 4.187 1422 1344 A 102 PHE HD2 A 102 PHE HE2 1.0 1.988 5.388 1423 1344 A 102 PHE HD2 A 102 PHE HE1 1.0 1.988 5.388 1424 1344 A 102 PHE HD1 A 102 PHE HE2 1.0 1.988 5.388 1425 1344 A 102 PHE HD1 A 102 PHE HE1 1.0 1.988 5.388 1426 1345 A 41 PHE HD1 A 41 PHE HE2 1.0 1.948 4.768 1427 1345 A 41 PHE HD2 A 41 PHE HE2 1.0 1.948 4.768 1428 1345 A 41 PHE HD2 A 41 PHE HE1 1.0 1.948 4.768 1429 1345 A 41 PHE HD1 A 41 PHE HE1 1.0 1.948 4.768 1430 1346 A 41 PHE HD2 A 41 PHE HZ 1.0 2.000 6.074 1431 1346 A 41 PHE HD1 A 41 PHE HZ 1.0 2.000 6.074 1432 1347 A 41 PHE HD2 A 41 PHE HBx 1.0 1.899 4.301 1433 1347 A 41 PHE HD1 A 41 PHE HBx 1.0 1.899 4.301 1434 1348 A 102 PHE HBx A 102 PHE HD2 1.0 1.880 4.160 1435 1348 A 102 PHE HD1 A 102 PHE HBx 1.0 1.880 4.160 1436 1349 A 56 PHE HZ A 56 PHE HE2 1.0 1.915 4.439 1437 1349 A 56 PHE HZ A 56 PHE HE1 1.0 1.915 4.439 1438 1350 A 8 PHE HBx A 8 PHE HD2 1.0 1.957 4.873 1439 1350 A 8 PHE HBx A 8 PHE HD1 1.0 1.957 4.873 1440 1351 A 8 PHE HBy A 8 PHE HD2 1.0 1.905 4.353 1441 1351 A 8 PHE HBy A 8 PHE HD1 1.0 1.905 4.353 1442 1352 A 27 PHE HD2 A 27 PHE HBx 1.0 1.947 4.743 1443 1352 A 27 PHE HD1 A 27 PHE HBx 1.0 1.947 4.743 1444 1353 A 53 PHE HD2 A 53 PHE HBy 1.0 1.980 5.218 1445 1353 A 53 PHE HD1 A 53 PHE HBy 1.0 1.980 5.218 1446 1354 A 29 VAL HGy% A 27 PHE HD1 1.0 1.670 3.080 1447 1354 A 29 VAL HGx% A 27 PHE HD1 1.0 1.670 3.080 1448 1355 A 56 PHE HBy A 56 PHE HD2 1.0 1.954 4.830 1449 1355 A 56 PHE HBy A 56 PHE HD1 1.0 1.954 4.830 1450 1356 A 32 GLN HBy A 8 PHE HD2 1.0 2.000 6.040 1451 1356 A 32 GLN HBy A 8 PHE HD1 1.0 2.000 6.040 1452 1357 A 107 PHE HD2 A 106 PRO HBy 1.0 1.978 6.862 1453 1357 A 107 PHE HD1 A 106 PRO HBy 1.0 1.978 6.862 1454 1358 A 56 PHE HBx A 56 PHE HD1 1.0 1.970 5.052 1455 1359 A 39 TRP HBx A 39 TRP HD1 1.0 1.835 3.869 1456 1360 A 46 LEU HDy% A 39 TRP HD1 1.0 1.992 5.512 1457 1361 A 23 TRP HBy A 23 TRP HD1 1.0 1.991 5.469 1458 1362 A 23 TRP HZ2 A 23 TRP HE1 1.0 1.868 4.076 1459 1363 A 15 HIS HD2 A 15 HIS HE1 1.0 1.997 5.655 1460 1364 A 67 HIS HD2 A 67 HIS H 1.0 1.931 4.591 1461 1365 A 23 TRP H A 23 TRP HD1 1.0 1.960 4.916 1462 1366 A 39 TRP H A 39 TRP HD1 1.0 1.863 4.043 1463 1367 A 39 TRP HD1 A 39 TRP HE1 1.0 1.693 3.173 1464 1368 A 23 TRP HD1 A 23 TRP HE1 1.0 1.588 2.780 1465 1369 A 8 PHE HD2 A 8 PHE H 1.0 1.956 4.852 1466 1369 A 8 PHE HD1 A 8 PHE H 1.0 1.956 4.852 1467 1370 A 27 PHE HD2 A 28 SER H 1.0 1.997 6.283 1468 1370 A 27 PHE HD1 A 28 SER H 1.0 1.997 6.283 1469 1371 A 53 PHE HD2 A 53 PHE H 1.0 1.999 5.813 1470 1371 A 53 PHE HD1 A 53 PHE H 1.0 1.999 5.813 1471 1372 A 56 PHE HD2 A 56 PHE H 1.0 1.975 5.133 1472 1372 A 56 PHE HD1 A 56 PHE H 1.0 1.975 5.133 1473 1373 A 57 LEU H A 56 PHE HD2 1.0 1.936 7.494 1474 1373 A 57 LEU H A 56 PHE HD1 1.0 1.936 7.494 1475 1374 A 23 TRP HH2 A 23 TRP HE1 1.0 1.969 7.039 1476 1375 A 78 VAL HGx% A 77 HIS HE1 1.0 1.966 4.996 1477 1376 A 77 HIS HD2 A 77 HIS HE1 1.0 1.752 9.064 1478 1377 A 106 PRO HGy A 77 HIS HE1 1.0 3.294 6.856 1479 1378 A 15 HIS HBy A 15 HIS HD2 1.0 1.996 6.348 1480 1379 A 67 HIS HBy A 67 HIS HD2 1.0 1.883 4.179 1481 1380 A 67 HIS HBx A 67 HIS HD2 1.0 1.997 5.697 1482 1381 A 57 LEU HDy% A 67 HIS HD2 1.0 1.907 4.363 1483 1381 A 57 LEU HDx% A 67 HIS HD2 1.0 1.907 4.363 1484 1382 A 78 VAL HGx% A 77 HIS HD2 1.0 1.852 3.970 1485 1383 A 77 HIS HBx A 77 HIS HD2 1.0 1.995 5.627 1486 1384 A 8 PHE H A 8 PHE HZ 1.0 2.882 6.164 1487 1385 A 37 LEU HDx% A 27 PHE HD1 1.0 1.754 3.442 1488 1385 A 37 LEU HDx% A 27 PHE HD2 1.0 1.754 3.442 1489 1386 A 41 PHE HE2 A 41 PHE HZ 1.0 1.855 3.993 1490 1386 A 41 PHE HE1 A 41 PHE HZ 1.0 1.855 3.993 1491 1387 A 53 PHE HD2 A 53 PHE HBx 1.0 1.997 5.705 1492 1387 A 53 PHE HD1 A 53 PHE HBx 1.0 1.997 5.705 1493 1388 A 21 HIS H A 21 HIS HD2 1.0 1.980 6.814 1494 1389 A 21 HIS HBy A 21 HIS HD2 1.0 1.970 5.048 1495 1390 A 23 TRP HBx A 23 TRP HD1 1.0 1.814 3.744 1496 1391 A 72 LEU HBx A 23 TRP HD1 1.0 1.964 4.972 1497 1392 A 23 TRP HZ2 A 23 TRP HD1 1.0 1.992 6.518 1498 1393 A 49 THR H A 51 PHE HD2 1.0 1.598 9.986 1499 1393 A 49 THR H A 51 PHE HD1 1.0 1.598 9.986 1500 1394 A 51 PHE HD2 A 51 PHE H 1.0 1.963 4.949 1501 1394 A 51 PHE HD1 A 51 PHE H 1.0 1.963 4.949 1502 1395 A 107 PHE HBx A 107 PHE HD2 1.0 1.948 4.758 1503 1395 A 107 PHE HBx A 107 PHE HD1 1.0 1.948 4.758 1504 1396 A 107 PHE HD2 A 107 PHE HBy 1.0 1.979 5.199 1505 1396 A 107 PHE HD1 A 107 PHE HBy 1.0 1.979 5.199 1506 1397 A 51 PHE HD1 A 49 THR HG2% 1.0 1.908 7.814 1507 1397 A 51 PHE HD2 A 49 THR HG2% 1.0 1.908 7.814 1508 1398 A 51 PHE HBx A 51 PHE HD2 1.0 1.964 4.958 1509 1398 A 51 PHE HBx A 51 PHE HD1 1.0 1.964 4.958 1510 1399 A 8 PHE HD2 A 6 VAL HB 1.0 2.602 4.482 1511 1399 A 8 PHE HD1 A 6 VAL HB 1.0 2.602 4.482 1512 1400 A 46 LEU HDy% A 39 TRP HE3 1.0 1.996 6.338 1513 1401 A 39 TRP H A 39 TRP HE3 1.0 1.950 7.310 1514 1402 A 39 TRP HH2 A 39 TRP HE3 1.0 2.000 6.158 1515 1403 A 56 PHE HD2 A 56 PHE HE2 1.0 1.987 6.647 1516 1403 A 56 PHE HD1 A 56 PHE HE2 1.0 1.987 6.647 1517 1403 A 56 PHE HD2 A 56 PHE HE1 1.0 1.987 6.647 1518 1403 A 56 PHE HD1 A 56 PHE HE1 1.0 1.987 6.647 1519 1404 A 56 PHE HD2 A 56 PHE HZ 1.0 1.960 4.916 1520 1404 A 56 PHE HD1 A 56 PHE HZ 1.0 1.960 4.916 1521 1405 A 54 THR HG2% A 39 TRP HD1 1.0 1.934 7.520 1522 1406 A 72 LEU HBx A 23 TRP HZ2 1.0 1.706 9.362 1523 1407 A 64 THR HG2% A 8 PHE HZ 1.0 2.806 5.262 1524 1408 A 37 LEU HBy A 56 PHE HZ 1.0 1.910 4.400 1525 1409 A 72 LEU HDx% A 102 PHE HE2 1.0 1.991 5.485 1526 1409 A 72 LEU HDx% A 102 PHE HE1 1.0 1.991 5.485 1527 1410 A 17 ALA HB% A 23 TRP HE3 1.0 2.253 4.679 1528 1411 A 17 ALA HB% A 23 TRP HZ3 1.0 1.771 3.521 1529 1412 A 29 VAL HGx% A 27 PHE HD1 1.0 2.471 4.221 1530 1412 A 29 VAL HGx% A 27 PHE HD2 1.0 2.471 4.221 1531 1413 A 70 LEU HDx% A 39 TRP HD1 1.0 1.907 4.369 1532 1414 A 73 ASN HD22 A 73 ASN HD21 1.0 1.487 2.463 1533 1415 A 82 ASN HD21 A 82 ASN HD22 1.0 1.210 1.760 1534 1416 A 57 LEU H A 57 LEU HDx% 1.0 1.996 5.648 1535 1416 A 57 LEU H A 57 LEU HDy% 1.0 1.996 5.648 1536 1417 A 57 LEU H A 57 LEU HBy 1.0 1.930 4.570 1537 1418 A 99 MET H A 99 MET HGy 1.0 2.000 5.886 1538 1419 A 18 VAL H A 18 VAL HB 1.0 1.846 3.932 1539 1420 A 29 VAL HB A 29 VAL H 1.0 1.858 4.008 1540 1421 A 65 VAL H A 65 VAL HB 1.0 1.619 2.887 1541 1422 A 78 VAL HGx% A 78 VAL H 1.0 1.532 2.600 1542 1423 A 78 VAL HGy% A 78 VAL H 1.0 1.518 2.554 1543 1424 A 78 VAL HB A 78 VAL H 1.0 1.870 4.092 1544 1425 A 104 ASP H A 103 MET HA 1.0 2.005 3.239 1545 1426 A 40 LEU HDx% A 46 LEU H 1.0 2.378 4.160 1546 1426 A 40 LEU HDy% A 46 LEU H 1.0 2.378 4.160 1547 1427 A 25 ILE HB A 25 ILE H 1.0 1.797 3.651 1548 1428 A 25 ILE HG2% A 25 ILE H 1.0 1.989 5.413 1549 1429 A 52 ILE HB A 52 ILE H 1.0 1.803 3.681 1550 1430 A 18 VAL HB A 19 GLU H 1.0 1.777 3.549 1551 1431 A 26 PRO HA A 27 PHE H 1.0 1.689 3.155 1552 1432 A 27 PHE HBy A 27 PHE H 1.0 1.939 4.657 1553 1433 A 52 ILE H A 51 PHE H 1.0 1.544 2.636 1554 1434 A 83 TYR H A 83 TYR HBx 1.0 1.995 5.587 1555 1435 A 83 TYR H A 83 TYR HBy 1.0 1.832 3.854 1556 1436 A 83 TYR HD2 A 83 TYR H 1.0 2.000 6.018 1557 1436 A 83 TYR HD1 A 83 TYR H 1.0 2.000 6.018 1558 1437 A 23 TRP HBy A 23 TRP H 1.0 1.979 5.205 1559 1438 A 103 MET H A 102 PHE HD2 1.0 1.977 6.877 1560 1438 A 102 PHE HD1 A 103 MET H 1.0 1.977 6.877 1561 1439 A 101 ALA HB% A 103 MET H 1.0 2.287 5.649 1562 1440 A 83 TYR H A 82 ASN HA 1.0 1.618 2.886 1563 1441 A 39 TRP HA A 40 LEU H 1.0 1.726 3.312 1564 1442 A 107 PHE H A 107 PHE HA 1.0 1.679 3.117 1565 1443 A 107 PHE H A 106 PRO HDy 1.0 2.000 5.942 1566 1444 A 107 PHE H A 107 PHE HBy 1.0 1.969 5.035 1567 1445 A 107 PHE H A 106 PRO HBy 1.0 2.000 5.946 1568 1446 A 47 ASN HBx A 47 ASN HD22 1.0 2.000 6.030 1569 1447 A 47 ASN HBx A 47 ASN HD21 1.0 1.791 3.625 1570 1448 A 83 TYR HA A 82 ASN HD21 1.0 1.958 7.192 1571 1449 A 82 ASN HBy A 82 ASN HD22 1.0 1.991 5.479 1572 1450 A 82 ASN HBy A 82 ASN HD21 1.0 2.000 5.984 1573 1451 A 79 ASN HA A 79 ASN HD22 1.0 1.938 7.472 1574 1452 A 79 ASN HA A 79 ASN HD21 1.0 1.771 3.521 1575 1453 A 78 VAL HGy% A 79 ASN HD22 1.0 1.998 6.240 1576 1453 A 79 ASN HD22 A 78 VAL HGx% 1.0 1.998 6.240 1577 1454 A 78 VAL HGy% A 79 ASN HD21 1.0 1.992 5.478 1578 1454 A 79 ASN HD21 A 78 VAL HGx% 1.0 1.992 5.478 1579 1455 A 79 ASN HD22 A 79 ASN HBx 1.0 1.997 5.709 1580 1456 A 74 GLN HE22 A 74 GLN HE21 1.0 1.218 1.780 1581 1457 A 105 ASN HD21 A 105 ASN HD22 1.0 1.471 2.177 1582 1458 A 16 THR H A 15 HIS HA 1.0 1.685 3.139 1583 1459 A 16 THR H A 16 THR HB 1.0 1.777 3.553 1584 1460 A 15 HIS HBx A 16 THR H 1.0 1.989 5.415 1585 1461 A 15 HIS HBy A 16 THR H 1.0 1.846 3.940 1586 1462 A 80 ASN HD22 A 80 ASN HD21 1.0 1.387 2.183 1587 1463 A 80 ASN HBy A 80 ASN HD21 1.0 1.948 4.766 1588 1464 A 73 ASN HBx A 73 ASN HD22 1.0 1.991 6.539 1589 1465 A 80 ASN HD21 A 77 HIS HA 1.0 2.000 6.066 1590 1466 A 80 ASN HD22 A 77 HIS HA 1.0 2.766 4.962 1591 1467 A 31 GLY HAx A 32 GLN H 1.0 1.576 4.738 1592 1468 A 31 GLY HAy A 32 GLN H 1.0 1.744 3.082 1593 1469 A 32 GLN HBy A 32 GLN H 1.0 1.933 4.601 1594 1470 A 32 GLN HGx A 32 GLN H 1.0 1.995 6.383 1595 1471 A 32 GLN HBx A 32 GLN H 1.0 1.722 3.292 1596 1472 A 87 ALA HA A 36 SER H 1.0 1.996 6.340 1597 1473 A 89 ASN H A 88 ALA HA 1.0 1.570 2.720 1598 1474 A 79 ASN HD21 A 79 ASN HBy 1.0 1.986 5.344 1599 1475 A 79 ASN H A 78 VAL HGx% 1.0 1.959 4.897 1600 1475 A 78 VAL HGy% A 79 ASN H 1.0 1.959 4.897 1601 1476 A 80 ASN HA A 81 GLY H 1.0 1.653 3.017 1602 1477 A 27 PHE HD1 A 27 PHE H 1.0 1.985 5.337 1603 1478 A 27 PHE HA A 27 PHE H 1.0 1.922 4.502 1604 1479 A 42 ASN HA A 42 ASN H 1.0 1.804 3.692 1605 1480 A 42 ASN H A 41 PHE HA 1.0 1.786 3.598 1606 1481 A 41 PHE HD2 A 42 ASN H 1.0 1.997 5.691 1607 1481 A 41 PHE HD1 A 42 ASN H 1.0 1.997 5.691 1608 1482 A 43 GLY H A 42 ASN H 1.0 1.990 6.550 1609 1483 A 42 ASN HBy A 42 ASN H 1.0 1.938 4.658 1610 1484 A 42 ASN H A 41 PHE HE2 1.0 1.987 6.639 1611 1484 A 42 ASN H A 41 PHE HE1 1.0 1.987 6.639 1612 1485 A 42 ASN H A 82 ASN HBy 1.0 2.243 4.313 1613 1486 A 51 PHE HA A 52 ILE H 1.0 1.957 4.877 1614 1487 A 52 ILE HA A 52 ILE H 1.0 1.819 3.773 1615 1488 A 48 GLU HA A 52 ILE H 1.0 1.951 7.309 1616 1489 A 52 ILE HG1x A 52 ILE H 1.0 1.990 5.446 1617 1490 A 53 PHE HD2 A 52 ILE H 1.0 2.384 5.694 1618 1490 A 53 PHE HD1 A 52 ILE H 1.0 2.384 5.694 1619 1491 A 53 PHE HD2 A 54 THR H 1.0 1.916 7.724 1620 1491 A 53 PHE HD1 A 54 THR H 1.0 1.916 7.724 1621 1492 A 57 LEU H A 56 PHE HA 1.0 1.696 3.188 1622 1493 A 67 HIS HBx A 67 HIS H 1.0 2.000 5.952 1623 1494 A 67 HIS HBy A 67 HIS H 1.0 1.842 3.908 1624 1495 A 23 TRP HA A 24 CYS H 1.0 1.757 3.453 1625 1496 A 24 CYS HBx A 24 CYS H 1.0 1.929 4.563 1626 1497 A 24 CYS HA A 24 CYS H 1.0 1.933 4.609 1627 1498 A 22 HIS H A 23 TRP H 1.0 1.995 6.425 1628 1499 A 22 HIS HA A 23 TRP H 1.0 1.938 4.656 1629 1500 A 51 PHE HBy A 52 ILE H 1.0 1.998 6.306 1630 1501 A 51 PHE HBx A 52 ILE H 1.0 1.981 5.225 1631 1502 A 69 CYS HBx A 69 CYS H 1.0 1.884 4.186 1632 1503 A 83 TYR HA A 84 THR H 1.0 1.655 3.023 1633 1504 A 85 LEU H A 97 SER HA 1.0 1.995 5.615 1634 1505 A 30 ASP HBx A 30 ASP H 1.0 1.943 4.711 1635 1506 A 30 ASP HBy A 30 ASP H 1.0 1.945 4.725 1636 1507 A 91 CYS HBy A 91 CYS H 1.0 1.689 3.157 1637 1508 A 91 CYS HBx A 91 CYS H 1.0 1.817 3.765 1638 1509 A 94 ALA H A 94 ALA HA 1.0 1.850 3.956 1639 1510 A 9 CYS HB3 A 9 CYS H 1.0 1.774 3.540 1640 1511 A 93 GLN HA A 92 GLY H 1.0 1.981 5.245 1641 1512 A 92 GLY H A 92 GLY HAx 1.0 1.813 3.745 1642 1513 A 92 GLY HAy A 92 GLY H 1.0 1.848 3.948 1643 1514 A 91 CYS HBx A 92 GLY H 1.0 1.995 6.401 1644 1515 A 91 CYS HBy A 92 GLY H 1.0 1.793 3.629 1645 1516 A 92 GLY H A 91 CYS H 1.0 1.729 3.325 1646 1517 A 89 ASN H A 92 GLY H 1.0 1.866 4.060 1647 1518 A 31 GLY H A 32 GLN H 1.0 2.096 5.722 1648 1519 A 30 ASP HA A 31 GLY H 1.0 1.671 3.083 1649 1520 A 31 GLY HAx A 31 GLY H 1.0 1.913 4.415 1650 1521 A 30 ASP HBy A 31 GLY H 1.0 1.990 5.450 1651 1522 A 31 GLY HAy A 31 GLY H 1.0 1.781 3.575 1652 1523 A 88 ALA HB% A 92 GLY H 1.0 1.996 6.366 1653 1524 A 11 SER H A 10 ALA HA 1.0 1.714 3.258 1654 1525 A 32 GLN HA A 32 GLN H 1.0 1.886 4.198 1655 1526 A 10 ALA H A 9 CYS HB3 1.0 1.996 6.386 1656 1527 A 86 LEU H A 85 LEU HA 1.0 1.613 2.869 1657 1528 A 54 THR H A 53 PHE HBy 1.0 1.964 7.112 1658 1529 A 53 PHE HA A 54 THR H 1.0 1.762 3.476 1659 1530 A 54 THR H A 54 THR HB 1.0 1.770 3.520 1660 1531 A 54 THR H A 53 PHE HBx 1.0 1.977 5.167 1661 1532 A 40 LEU HBx A 40 LEU H 1.0 1.933 4.603 1662 1533 A 40 LEU HG A 40 LEU H 1.0 1.999 5.929 1663 1534 A 40 LEU HBy A 40 LEU H 1.0 1.902 4.324 1664 1535 A 40 LEU HDx% A 40 LEU H 1.0 1.993 5.535 1665 1536 A 84 THR HB A 40 LEU H 1.0 1.988 5.388 1666 1537 A 39 TRP HBx A 40 LEU H 1.0 2.000 6.152 1667 1538 A 40 LEU HA A 40 LEU H 1.0 1.907 4.365 1668 1539 A 82 ASN HBy A 82 ASN H 1.0 1.703 3.217 1669 1540 A 81 GLY HAx A 82 ASN H 1.0 1.740 3.374 1670 1541 A 42 ASN HA A 82 ASN H 1.0 1.979 6.845 1671 1542 A 81 GLY HAy A 82 ASN H 1.0 1.904 4.336 1672 1543 A 82 ASN HA A 82 ASN H 1.0 1.876 4.130 1673 1544 A 7 SER HA A 7 SER H 1.0 1.873 4.113 1674 1545 A 6 VAL HB A 7 SER H 1.0 1.998 5.744 1675 1546 A 7 SER H A 6 VAL HGx% 1.0 1.989 5.435 1676 1547 A 57 LEU HDx% A 68 GLY H 1.0 1.967 7.065 1677 1548 A 78 VAL HA A 78 VAL H 1.0 1.812 3.734 1678 1549 A 13 GLN HBy A 28 SER H 1.0 1.947 4.753 1679 1550 A 28 SER HA A 28 SER H 1.0 1.904 4.344 1680 1551 A 73 ASN HBy A 73 ASN H 1.0 1.956 4.852 1681 1552 A 73 ASN HBx A 73 ASN H 1.0 1.812 3.736 1682 1553 A 99 MET HBy A 100 ALA H 1.0 2.000 6.158 1683 1554 A 100 ALA HA A 100 ALA H 1.0 1.869 4.085 1684 1555 A 99 MET H A 100 ALA H 1.0 1.975 6.911 1685 1556 A 101 ALA H A 100 ALA H 1.0 2.000 5.898 1686 1557 A 100 ALA H A 81 GLY H 1.0 1.904 4.342 1687 1558 A 100 ALA H A 99 MET HGy 1.0 1.948 4.758 1688 1559 A 98 ILE HA A 99 MET H 1.0 1.619 2.889 1689 1560 A 99 MET H A 99 MET HA 1.0 1.857 4.001 1690 1561 A 100 ALA H A 99 MET HA 1.0 1.607 2.849 1691 1562 A 98 ILE H A 97 SER HA 1.0 1.654 3.020 1692 1563 A 25 ILE HG1x A 25 ILE H 1.0 2.000 6.030 1693 1564 A 28 SER HBx A 28 SER H 1.0 1.929 4.559 1694 1565 A 28 SER HBy A 28 SER H 1.0 2.000 6.114 1695 1566 A 74 GLN HA A 74 GLN H 1.0 1.841 3.903 1696 1567 A 73 ASN HBy A 74 GLN H 1.0 2.000 5.900 1697 1568 A 84 THR HB A 84 THR H 1.0 1.769 3.511 1698 1569 A 74 GLN HGy A 74 GLN H 1.0 2.294 4.666 1699 1570 A 74 GLN HBy A 74 GLN H 1.0 1.997 6.267 1700 1571 A 40 LEU HBy A 84 THR H 1.0 1.991 5.489 1701 1572 A 93 GLN H A 92 GLY HAy 1.0 1.769 3.513 1702 1573 A 93 GLN H A 92 GLY HAx 1.0 1.981 5.247 1703 1574 A 93 GLN H A 88 ALA HA 1.0 1.996 6.372 1704 1575 A 76 THR H A 76 THR HA 1.0 1.868 4.082 1705 1576 A 76 THR H A 76 THR HB 1.0 1.998 5.724 1706 1577 A 76 THR H A 79 ASN HBy 1.0 1.999 5.843 1707 1578 A 75 PRO HA A 76 THR H 1.0 1.642 2.972 1708 1579 A 76 THR H A 79 ASN H 1.0 1.954 4.828 1709 1580 A 102 PHE HBy A 76 THR H 1.0 1.988 6.626 1710 1581 A 76 THR H A 79 ASN HBx 1.0 1.903 4.329 1711 1582 A 76 THR HA A 77 HIS H 1.0 1.932 4.600 1712 1583 A 76 THR HA A 78 VAL H 1.0 2.000 5.998 1713 1584 A 78 VAL H A 77 HIS H 1.0 1.812 3.734 1714 1585 A 79 ASN H A 78 VAL H 1.0 1.677 3.111 1715 1586 A 76 THR HB A 78 VAL H 1.0 1.779 3.561 1716 1587 A 77 HIS HBx A 78 VAL H 1.0 1.999 5.777 1717 1588 A 79 ASN HA A 79 ASN H 1.0 1.836 3.870 1718 1589 A 79 ASN H A 78 VAL HA 1.0 1.937 4.645 1719 1590 A 79 ASN H A 79 ASN HBx 1.0 1.791 3.627 1720 1591 A 79 ASN H A 79 ASN HBy 1.0 1.973 5.095 1721 1592 A 102 PHE HBy A 79 ASN H 1.0 1.991 6.541 1722 1593 A 78 VAL H A 80 ASN H 1.0 1.992 5.500 1723 1594 A 80 ASN HA A 80 ASN H 1.0 1.900 4.314 1724 1595 A 79 ASN HA A 80 ASN H 1.0 1.836 3.872 1725 1596 A 78 VAL HA A 80 ASN H 1.0 1.920 4.474 1726 1597 A 80 ASN HBx A 80 ASN H 1.0 1.725 3.309 1727 1598 A 80 ASN HBy A 80 ASN H 1.0 1.995 5.631 1728 1599 A 79 ASN HBx A 80 ASN H 1.0 1.983 5.277 1729 1600 A 79 ASN HBy A 80 ASN H 1.0 1.999 5.889 1730 1601 A 80 ASN HBx A 81 GLY H 1.0 1.949 7.323 1731 1602 A 80 ASN HBy A 81 GLY H 1.0 1.973 5.099 1732 1603 A 101 ALA HA A 81 GLY H 1.0 1.992 5.494 1733 1604 A 81 GLY HAx A 81 GLY H 1.0 1.904 4.336 1734 1605 A 81 GLY HAy A 81 GLY H 1.0 1.885 4.191 1735 1606 A 81 GLY H A 80 ASN H 1.0 1.928 7.592 1736 1607 A 41 PHE HE2 A 81 GLY H 1.0 2.193 6.249 1737 1607 A 41 PHE HE1 A 81 GLY H 1.0 2.193 6.249 1738 1608 A 83 TYR HE2 A 81 GLY H 1.0 2.391 4.739 1739 1608 A 83 TYR HE1 A 81 GLY H 1.0 2.391 4.739 1740 1609 A 100 ALA HB% A 81 GLY H 1.0 1.920 4.478 1741 1610 A 41 PHE HE2 A 82 ASN H 1.0 1.992 6.512 1742 1610 A 41 PHE HE1 A 82 ASN H 1.0 1.992 6.512 1743 1611 A 42 ASN HD22 A 82 ASN H 1.0 2.274 5.406 1744 1612 A 98 ILE H A 83 TYR H 1.0 1.905 4.345 1745 1613 A 83 TYR H A 82 ASN HBy 1.0 1.995 6.427 1746 1614 A 41 PHE HA A 84 THR H 1.0 1.984 5.314 1747 1615 A 40 LEU H A 84 THR H 1.0 1.880 4.162 1748 1616 A 85 LEU H A 84 THR HA 1.0 1.576 2.740 1749 1617 A 85 LEU HBx A 85 LEU H 1.0 1.537 2.613 1750 1618 A 65 VAL HA A 66 ARG H 1.0 1.580 2.754 1751 1619 A 86 LEU HA A 87 ALA H 1.0 1.629 2.927 1752 1620 A 65 VAL H A 66 ARG H 1.0 1.987 5.355 1753 1621 A 87 ALA HA A 88 ALA H 1.0 1.554 2.668 1754 1622 A 35 PRO HGy A 88 ALA H 1.0 1.988 6.642 1755 1623 A 35 PRO HBx A 88 ALA H 1.0 1.998 5.714 1756 1624 A 90 PRO HBy A 91 CYS H 1.0 1.941 4.693 1757 1625 A 91 CYS HA A 91 CYS H 1.0 1.846 3.930 1758 1626 A 93 GLN HA A 94 ALA H 1.0 1.608 2.852 1759 1627 A 93 GLN HGy A 94 ALA H 1.0 1.902 4.322 1760 1628 A 94 ALA H A 87 ALA H 1.0 1.831 3.843 1761 1629 A 95 SER H A 95 SER HA 1.0 1.863 4.043 1762 1630 A 95 SER H A 95 SER HBx 1.0 1.938 4.656 1763 1631 A 95 SER H A 94 ALA HA 1.0 1.680 3.120 1764 1632 A 93 GLN HGx A 95 SER H 1.0 1.999 6.127 1765 1633 A 86 LEU HBy A 95 SER H 1.0 1.801 8.725 1766 1634 A 12 VAL HGy% A 95 SER H 1.0 1.986 5.354 1767 1634 A 12 VAL HGx% A 95 SER H 1.0 1.986 5.354 1768 1635 A 96 ALA H A 84 THR HG2% 1.0 1.733 3.341 1769 1636 A 95 SER HBy A 96 ALA H 1.0 1.810 3.726 1770 1637 A 96 ALA H A 96 ALA HA 1.0 1.838 3.888 1771 1638 A 96 ALA H A 95 SER HA 1.0 1.619 2.889 1772 1639 A 85 LEU H A 96 ALA H 1.0 1.783 3.577 1773 1640 A 98 ILE HG2% A 97 SER H 1.0 1.982 5.252 1774 1641 A 97 SER HBx A 97 SER H 1.0 1.998 6.184 1775 1642 A 97 SER HBy A 97 SER H 1.0 1.848 3.950 1776 1643 A 97 SER H A 96 ALA HA 1.0 1.641 2.971 1777 1644 A 97 SER HA A 97 SER H 1.0 1.910 4.398 1778 1645 A 96 ALA H A 97 SER H 1.0 2.000 6.010 1779 1646 A 98 ILE H A 97 SER H 1.0 1.940 7.438 1780 1647 A 98 ILE HA A 98 ILE H 1.0 1.856 4.002 1781 1648 A 98 ILE H A 97 SER HBx 1.0 1.972 5.078 1782 1649 A 98 ILE HB A 98 ILE H 1.0 1.848 3.952 1783 1650 A 98 ILE HG2% A 98 ILE H 1.0 1.629 2.927 1784 1651 A 98 ILE HG1y A 98 ILE H 1.0 1.995 6.423 1785 1652 A 98 ILE HB A 99 MET H 1.0 1.965 4.973 1786 1653 A 98 ILE HG1y A 99 MET H 1.0 1.774 3.538 1787 1654 A 99 MET H A 98 ILE HG2% 1.0 1.946 4.744 1788 1655 A 101 ALA H A 100 ALA HA 1.0 1.557 2.677 1789 1656 A 101 ALA H A 101 ALA HA 1.0 1.811 3.731 1790 1657 A 101 ALA HA A 103 MET H 1.0 2.097 6.395 1791 1658 A 103 MET HA A 103 MET H 1.0 1.746 3.404 1792 1659 A 102 PHE HA A 103 MET H 1.0 1.801 3.673 1793 1660 A 103 MET H A 103 MET HG3 1.0 1.832 3.852 1794 1661 A 103 MET H A 103 MET HBx 1.0 1.698 3.196 1795 1662 A 104 ASP H A 104 ASP HBy 1.0 1.736 3.356 1796 1663 A 104 ASP H A 103 MET HBx 1.0 1.981 6.807 1797 1664 A 104 ASP H A 103 MET HBy 1.0 1.975 5.129 1798 1665 A 37 LEU HBx A 37 LEU H 1.0 1.642 2.974 1799 1666 A 37 LEU HBy A 37 LEU H 1.0 1.989 5.405 1800 1667 A 36 SER HA A 37 LEU H 1.0 1.572 2.728 1801 1668 A 104 ASP H A 103 MET H 1.0 2.000 5.994 1802 1669 A 37 LEU H A 37 LEU HA 1.0 1.881 4.173 1803 1670 A 105 ASN H A 105 ASN HBx 1.0 1.655 3.023 1804 1671 A 6 VAL H A 7 SER HBx 1.0 1.797 5.497 1805 1672 A 6 VAL H A 6 VAL HB 1.0 2.097 3.587 1806 1673 A 41 PHE HBx A 41 PHE H 1.0 1.738 3.368 1807 1674 A 41 PHE H A 41 PHE HA 1.0 1.682 3.128 1808 1675 A 18 VAL H A 17 ALA HA 1.0 1.656 3.024 1809 1676 A 18 VAL H A 18 VAL HA 1.0 1.794 3.636 1810 1677 A 8 PHE HA A 9 CYS H 1.0 1.838 3.884 1811 1678 A 11 SER H A 30 ASP HA 1.0 2.000 5.926 1812 1679 A 11 SER H A 11 SER HA 1.0 1.864 4.052 1813 1680 A 11 SER H A 11 SER HBy 1.0 1.894 4.268 1814 1681 A 11 SER H A 12 VAL HGx% 1.0 1.997 5.693 1815 1681 A 11 SER H A 12 VAL HGy% 1.0 1.997 5.693 1816 1682 A 29 VAL HGx% A 12 VAL H 1.0 1.935 7.503 1817 1683 A 11 SER HBy A 12 VAL H 1.0 1.981 5.237 1818 1684 A 11 SER HA A 12 VAL H 1.0 1.585 2.771 1819 1685 A 12 VAL H A 12 VAL HA 1.0 1.849 3.957 1820 1686 A 11 SER H A 12 VAL H 1.0 1.989 6.591 1821 1687 A 13 GLN HA A 14 LEU H 1.0 1.636 2.950 1822 1688 A 15 HIS H A 14 LEU HA 1.0 1.647 2.991 1823 1689 A 15 HIS H A 15 HIS HA 1.0 1.932 4.596 1824 1690 A 15 HIS HBy A 15 HIS H 1.0 1.996 5.638 1825 1691 A 15 HIS H A 14 LEU HBx 1.0 1.983 5.285 1826 1692 A 14 LEU HDy% A 15 HIS H 1.0 1.813 3.741 1827 1693 A 15 HIS H A 15 HIS HD2 1.0 1.967 5.015 1828 1694 A 27 PHE HA A 15 HIS H 1.0 1.996 5.684 1829 1695 A 17 ALA H A 16 THR HA 1.0 1.536 2.612 1830 1696 A 17 ALA H A 16 THR HG2% 1.0 1.512 2.536 1831 1697 A 19 GLU HBx A 19 GLU H 1.0 1.825 3.807 1832 1698 A 19 GLU HBy A 19 GLU H 1.0 1.898 4.296 1833 1699 A 20 MET H A 19 GLU HGx 1.0 1.916 7.722 1834 1700 A 20 MET HBy A 20 MET H 1.0 1.989 6.609 1835 1701 A 22 HIS HA A 22 HIS H 1.0 1.867 4.069 1836 1702 A 22 HIS H A 21 HIS HBx 1.0 2.122 3.168 1837 1703 A 22 HIS HBx A 22 HIS H 1.0 1.843 3.917 1838 1704 A 24 CYS HBy A 24 CYS H 1.0 1.862 4.038 1839 1705 A 23 TRP H A 24 CYS H 1.0 1.997 6.339 1840 1706 A 24 CYS HA A 25 ILE H 1.0 1.695 3.181 1841 1707 A 24 CYS HBy A 25 ILE H 1.0 1.999 6.147 1842 1708 A 26 PRO HBx A 27 PHE H 1.0 1.995 6.379 1843 1709 A 26 PRO HBy A 27 PHE H 1.0 1.996 5.668 1844 1710 A 13 GLN H A 28 SER H 1.0 1.839 3.889 1845 1711 A 28 SER H A 27 PHE H 1.0 1.974 6.944 1846 1712 A 27 PHE HA A 28 SER H 1.0 1.705 3.221 1847 1713 A 27 PHE HBx A 28 SER H 1.0 1.772 3.524 1848 1714 A 29 VAL H A 28 SER HBx 1.0 1.978 6.864 1849 1715 A 28 SER HBy A 29 VAL H 1.0 1.997 5.715 1850 1716 A 28 SER HA A 29 VAL H 1.0 1.596 2.810 1851 1717 A 29 VAL H A 65 VAL HA 1.0 1.989 6.609 1852 1718 A 11 SER H A 30 ASP H 1.0 1.818 3.766 1853 1719 A 36 SER H A 88 ALA H 1.0 1.759 3.465 1854 1720 A 37 LEU H A 36 SER H 1.0 1.992 6.508 1855 1721 A 36 SER HA A 36 SER H 1.0 1.715 3.265 1856 1722 A 89 ASN HBx A 36 SER H 1.0 1.990 6.572 1857 1723 A 89 ASN HBy A 36 SER H 1.0 1.909 7.803 1858 1724 A 35 PRO HBy A 36 SER H 1.0 1.791 3.623 1859 1725 A 88 ALA HB% A 36 SER H 1.0 1.913 4.413 1860 1726 A 38 ARG H A 37 LEU HA 1.0 1.565 2.705 1861 1727 A 38 ARG HA A 38 ARG H 1.0 1.807 3.709 1862 1728 A 38 ARG H A 85 LEU HA 1.0 1.970 5.044 1863 1729 A 38 ARG HBy A 38 ARG H 1.0 1.893 4.257 1864 1730 A 37 LEU HBx A 38 ARG H 1.0 1.946 4.738 1865 1731 A 37 LEU HBy A 38 ARG H 1.0 1.726 3.314 1866 1732 A 39 TRP H A 46 LEU HDy% 1.0 1.996 5.684 1867 1733 A 39 TRP H A 38 ARG HBx 1.0 2.000 5.832 1868 1734 A 39 TRP H A 38 ARG HGy 1.0 1.929 4.563 1869 1735 A 39 TRP H A 38 ARG HDy 1.0 1.992 5.520 1870 1736 A 39 TRP H A 38 ARG HA 1.0 1.644 2.980 1871 1737 A 39 TRP H A 39 TRP HA 1.0 1.924 4.516 1872 1738 A 41 PHE HD2 A 41 PHE H 1.0 1.956 7.222 1873 1738 A 41 PHE HD1 A 41 PHE H 1.0 1.956 7.222 1874 1739 A 45 VAL HA A 41 PHE H 1.0 2.528 4.120 1875 1740 A 43 GLY H A 44 SER H 1.0 1.400 5.374 1876 1741 A 44 SER H A 41 PHE H 1.0 1.900 3.874 1877 1742 A 44 SER H A 44 SER HA 1.0 1.843 3.917 1878 1743 A 44 SER H A 44 SER HBy 1.0 1.714 3.264 1879 1744 A 43 GLY HAx A 44 SER H 1.0 2.410 4.322 1880 1745 A 43 GLY HAy A 44 SER H 1.0 2.474 4.606 1881 1746 A 44 SER H A 40 LEU HBx 1.0 2.000 6.042 1882 1747 A 40 LEU HDx% A 44 SER H 1.0 2.883 5.181 1883 1747 A 40 LEU HDy% A 44 SER H 1.0 2.883 5.181 1884 1748 A 48 GLU H A 48 GLU HBy 1.0 1.727 3.315 1885 1749 A 45 VAL HA A 45 VAL H 1.0 1.669 3.077 1886 1750 A 46 LEU H A 40 LEU HA 1.0 1.871 4.093 1887 1751 A 46 LEU HA A 46 LEU H 1.0 1.932 4.598 1888 1752 A 45 VAL HA A 46 LEU H 1.0 1.649 2.999 1889 1753 A 45 VAL HB A 46 LEU H 1.0 1.914 4.428 1890 1754 A 46 LEU H A 46 LEU HBy 1.0 1.801 3.671 1891 1755 A 46 LEU H A 41 PHE H 1.0 2.999 5.191 1892 1756 A 47 ASN H A 46 LEU HG 1.0 1.954 4.836 1893 1757 A 47 ASN H A 46 LEU HBy 1.0 1.998 6.188 1894 1758 A 47 ASN HBx A 47 ASN H 1.0 1.800 3.668 1895 1759 A 46 LEU HA A 47 ASN H 1.0 1.647 2.993 1896 1760 A 47 ASN HA A 47 ASN H 1.0 1.939 4.671 1897 1761 A 47 ASN HD22 A 47 ASN H 1.0 1.778 8.884 1898 1762 A 48 GLU H A 48 GLU HGx 1.0 1.652 3.010 1899 1763 A 48 GLU HA A 48 GLU H 1.0 1.865 4.055 1900 1764 A 47 ASN HA A 48 GLU H 1.0 1.627 2.917 1901 1765 A 49 THR H A 52 ILE HG2% 1.0 1.986 5.336 1902 1766 A 49 THR H A 49 THR HG2% 1.0 1.816 3.758 1903 1767 A 52 ILE HB A 49 THR H 1.0 1.880 4.158 1904 1768 A 48 GLU HBx A 49 THR H 1.0 1.875 4.121 1905 1769 A 49 THR H A 48 GLU HBy 1.0 2.000 6.130 1906 1770 A 48 GLU HA A 49 THR H 1.0 1.688 3.154 1907 1771 A 49 THR H A 49 THR HA 1.0 1.905 4.349 1908 1772 A 49 THR H A 52 ILE H 1.0 1.870 4.092 1909 1773 A 57 LEU H A 57 LEU HA 1.0 1.901 4.317 1910 1774 A 57 LEU H A 68 GLY HAx 1.0 1.890 4.236 1911 1775 A 57 LEU H A 68 GLY HAy 1.0 1.988 5.408 1912 1776 A 57 LEU H A 56 PHE HBx 1.0 1.998 6.266 1913 1777 A 57 LEU H A 56 PHE HBy 1.0 1.993 5.529 1914 1778 A 57 LEU HBx A 58 GLU H 1.0 1.995 5.599 1915 1779 A 57 LEU HA A 58 GLU H 1.0 1.667 3.071 1916 1780 A 57 LEU HBy A 58 GLU H 1.0 1.663 3.051 1917 1781 A 60 ALA H A 59 PRO HBx 1.0 1.930 4.580 1918 1782 A 60 ALA H A 59 PRO HBy 1.0 1.870 4.090 1919 1783 A 60 ALA H A 59 PRO HA 1.0 1.585 2.771 1920 1784 A 13 GLN H A 12 VAL HA 1.0 1.578 2.748 1921 1785 A 13 GLN HA A 13 GLN H 1.0 1.620 2.890 1922 1786 A 13 GLN H A 11 SER HBy 1.0 1.996 6.372 1923 1787 A 29 VAL HA A 13 GLN H 1.0 1.975 5.123 1924 1788 A 61 ALA H A 63 GLU H 1.0 1.990 5.464 1925 1789 A 13 GLN HGx A 13 GLN H 1.0 1.888 4.222 1926 1790 A 13 GLN H A 12 VAL HB 1.0 1.977 5.161 1927 1791 A 13 GLN H A 12 VAL HGy% 1.0 1.725 3.311 1928 1791 A 13 GLN H A 12 VAL HGx% 1.0 1.725 3.311 1929 1792 A 61 ALA HA A 62 ASN H 1.0 1.831 3.845 1930 1793 A 62 ASN HA A 62 ASN H 1.0 1.893 4.253 1931 1794 A 62 ASN HBx A 62 ASN H 1.0 1.908 4.376 1932 1795 A 61 ALA HB% A 62 ASN H 1.0 1.807 3.711 1933 1796 A 63 GLU H A 62 ASN H 1.0 1.737 3.363 1934 1797 A 63 GLU HA A 63 GLU H 1.0 1.790 3.620 1935 1798 A 62 ASN HA A 63 GLU H 1.0 1.839 3.895 1936 1799 A 61 ALA HA A 63 GLU H 1.0 1.904 4.344 1937 1800 A 63 GLU HGy A 63 GLU H 1.0 1.730 3.328 1938 1801 A 63 GLU HBy A 63 GLU H 1.0 1.750 3.424 1939 1802 A 60 ALA HB% A 63 GLU H 1.0 1.886 4.198 1940 1803 A 62 ASN HBx A 63 GLU H 1.0 1.996 6.354 1941 1804 A 63 GLU HA A 64 THR H 1.0 1.680 3.118 1942 1805 A 64 THR H A 64 THR HA 1.0 1.878 4.148 1943 1806 A 63 GLU HBx A 64 THR H 1.0 1.837 3.875 1944 1807 A 63 GLU HBy A 64 THR H 1.0 1.999 5.791 1945 1808 A 65 VAL H A 65 VAL HA 1.0 1.776 3.550 1946 1809 A 65 VAL H A 64 THR HA 1.0 1.928 4.554 1947 1810 A 64 THR H A 65 VAL H 1.0 1.603 2.835 1948 1811 A 66 ARG HBx A 66 ARG H 1.0 1.603 2.833 1949 1812 A 65 VAL HGx% A 66 ARG H 1.0 1.509 2.529 1950 1813 A 57 LEU H A 67 HIS H 1.0 1.974 5.120 1951 1814 A 67 HIS HA A 67 HIS H 1.0 1.941 4.681 1952 1815 A 66 ARG HA A 67 HIS H 1.0 1.745 3.401 1953 1816 A 68 GLY HAx A 68 GLY H 1.0 1.941 4.683 1954 1817 A 68 GLY HAy A 68 GLY H 1.0 1.879 4.149 1955 1818 A 67 HIS HBx A 68 GLY H 1.0 1.913 4.411 1956 1819 A 67 HIS HBy A 68 GLY H 1.0 1.996 6.350 1957 1820 A 67 HIS HA A 68 GLY H 1.0 1.677 3.107 1958 1821 A 69 CYS H A 68 GLY H 1.0 1.993 6.467 1959 1822 A 67 HIS H A 68 GLY H 1.0 1.974 6.952 1960 1823 A 68 GLY H A 27 PHE H 1.0 1.907 4.369 1961 1824 A 69 CYS HA A 69 CYS H 1.0 1.920 4.472 1962 1825 A 68 GLY HAx A 69 CYS H 1.0 1.949 4.777 1963 1826 A 68 GLY HAy A 69 CYS H 1.0 2.043 3.689 1964 1827 A 70 LEU HBx A 70 LEU H 1.0 1.762 3.482 1965 1828 A 70 LEU HBy A 70 LEU H 1.0 1.875 4.125 1966 1829 A 70 LEU H A 69 CYS HBy 1.0 1.995 6.439 1967 1830 A 72 LEU H A 71 ARG HA 1.0 1.717 3.271 1968 1831 A 72 LEU HA A 73 ASN H 1.0 1.632 2.938 1969 1832 A 73 ASN HA A 73 ASN H 1.0 1.910 4.394 1970 1833 A 74 GLN H A 73 ASN H 1.0 2.617 4.561 1971 1834 A 73 ASN HA A 74 GLN H 1.0 1.933 4.601 1972 1835 A 83 TYR HD2 A 84 THR H 1.0 1.892 7.976 1973 1835 A 83 TYR HD1 A 84 THR H 1.0 1.892 7.976 1974 1836 A 74 GLN HBx A 74 GLN H 1.0 1.887 4.213 1975 1837 A 77 HIS HBy A 77 HIS H 1.0 1.942 7.426 1976 1838 A 76 THR HG2% A 78 VAL H 1.0 1.996 6.370 1977 1839 A 35 PRO HBx A 36 SER H 1.0 1.984 5.298 1978 1840 A 39 TRP HE3 A 40 LEU H 1.0 1.984 5.310 1979 1841 A 52 ILE HG2% A 52 ILE H 1.0 1.956 4.862 1980 1842 A 52 ILE HD1% A 52 ILE H 1.0 1.975 5.131 1981 1843 A 89 ASN HD22 A 89 ASN HD21 1.0 1.376 2.156 1982 1844 A 79 ASN HD21 A 79 ASN HD22 1.0 1.451 2.359 1983 1845 A 51 PHE HBy A 51 PHE H 1.0 1.999 5.845 1984 1846 A 51 PHE HBx A 51 PHE H 1.0 1.855 3.993 1985 1847 A 51 PHE HA A 51 PHE H 1.0 1.819 3.773 1986 1848 A 50 SER HA A 51 PHE H 1.0 1.938 4.646 1987 1849 A 53 PHE HD2 A 51 PHE H 1.0 1.984 6.736 1988 1849 A 53 PHE HD1 A 51 PHE H 1.0 1.984 6.736 1989 1850 A 49 THR HG2% A 51 PHE H 1.0 1.986 6.698 1990 1851 A 77 HIS HA A 77 HIS H 1.0 1.872 4.106 1991 1852 A 8 PHE H A 32 GLN H 1.0 1.935 4.629 1992 1853 A 8 PHE HA A 8 PHE H 1.0 1.912 4.416 1993 1854 A 8 PHE HBy A 8 PHE H 1.0 1.898 4.292 1994 1855 A 32 GLN HBx A 8 PHE H 1.0 1.825 3.809 1995 1856 A 66 ARG HBx A 67 HIS H 1.0 1.980 5.216 1996 1857 A 56 PHE HBx A 56 PHE H 1.0 1.884 4.190 1997 1858 A 56 PHE HBy A 56 PHE H 1.0 1.998 5.742 1998 1859 A 55 GLU HA A 56 PHE H 1.0 1.776 3.546 1999 1860 A 55 GLU HGx A 56 PHE H 1.0 1.995 6.411 2000 1861 A 55 GLU HGy A 56 PHE H 1.0 1.983 6.769 2001 1862 A 34 ALA H A 33 PRO HGy 1.0 1.962 7.142 2002 1863 A 55 GLU H A 54 THR HA 1.0 1.722 3.296 2003 1864 A 14 LEU H A 14 LEU HBy 1.0 1.948 4.756 2004 1865 A 14 LEU H A 14 LEU HBx 1.0 1.745 3.399 2005 1866 A 15 HIS HBx A 15 HIS H 1.0 1.901 4.323 2006 1867 A 21 HIS HA A 22 HIS H 1.0 1.997 5.707 2007 1868 A 70 LEU HBy A 25 ILE H 1.0 1.960 7.170 2008 1869 A 68 GLY HAx A 27 PHE H 1.0 1.923 7.641 2009 1870 A 77 HIS HBy A 78 VAL H 1.0 2.000 5.880 2010 1871 A 101 ALA HA A 80 ASN H 1.0 1.874 8.132 2011 1872 A 80 ASN HD22 A 80 ASN H 1.0 1.979 6.851 2012 1873 A 73 ASN HBx A 74 GLN H 1.0 2.174 3.940 2013 1874 A 94 ALA H A 95 SER H 1.0 1.978 6.866 2014 1875 A 86 LEU HDx% A 86 LEU H 1.0 1.895 4.277 2015 1876 A 85 LEU HBy A 85 LEU H 1.0 1.860 4.020 2016 1877 A 81 GLY H A 82 ASN H 1.0 1.974 6.944 2017 1878 A 57 LEU HDy% A 58 GLU H 1.0 2.000 5.954 2018 1879 A 23 TRP HBx A 23 TRP H 1.0 1.673 3.093 2019 1880 A 73 ASN HBy A 73 ASN HD21 1.0 1.999 6.167 2020 1881 A 73 ASN HBx A 73 ASN HD21 1.0 1.950 4.792 2021 1882 A 73 ASN HBy A 73 ASN HD22 1.0 1.814 8.626 2022 1883 A 47 ASN HA A 47 ASN HD21 1.0 1.873 4.113 2023 1884 A 47 ASN HA A 47 ASN HD22 1.0 1.999 5.789 2024 1885 A 42 ASN HD21 A 42 ASN HD22 1.0 1.574 2.732 2025 1886 A 102 PHE H A 101 ALA HA 1.0 1.514 2.544 2026 1887 A 52 ILE HA A 53 PHE H 1.0 1.626 2.912 2027 1888 A 70 LEU HA A 71 ARG H 1.0 1.818 3.774 2028 1889 A 8 PHE HBx A 8 PHE H 1.0 1.999 5.817 2029 1890 A 10 ALA H A 10 ALA HA 1.0 1.916 4.448 2030 1891 A 43 GLY H A 44 SER HA 1.0 1.927 7.611 2031 1892 A 40 LEU HDx% A 45 VAL H 1.0 1.933 4.605 2032 1892 A 40 LEU HDy% A 45 VAL H 1.0 1.933 4.605 2033 1893 A 42 ASN H A 82 ASN H 1.0 1.962 4.938 2034 1894 A 86 LEU H A 39 TRP HA 1.0 1.985 5.303 2035 1895 A 86 LEU HBy A 86 LEU H 1.0 1.677 3.109 2036 1896 A 86 LEU HBx A 86 LEU H 1.0 1.988 5.410 2037 1897 A 102 PHE HD1 A 102 PHE H 1.0 1.963 4.957 2038 1898 A 8 PHE HA A 7 SER H 1.0 1.992 5.500 2039 1899 A 8 PHE H A 7 SER H 1.0 1.946 7.364 2040 1900 A 15 HIS H A 26 PRO HBy 1.0 1.979 6.851 2041 1901 A 15 HIS H A 16 THR H 1.0 1.987 6.651 2042 1902 A 17 ALA H A 18 VAL H 1.0 1.966 7.076 2043 1903 A 17 ALA H A 17 ALA HA 1.0 1.834 3.860 2044 1904 A 17 ALA H A 25 ILE HA 1.0 1.993 6.497 2045 1905 A 19 GLU HA A 20 MET H 1.0 1.753 3.437 2046 1906 A 72 LEU HBx A 23 TRP H 1.0 1.994 5.600 2047 1907 A 29 VAL H A 28 SER H 1.0 1.979 6.843 2048 1908 A 65 VAL HGy% A 30 ASP H 1.0 1.989 6.605 2049 1909 A 39 TRP H A 40 LEU H 1.0 1.910 7.780 2050 1910 A 40 LEU HDy% A 41 PHE H 1.0 2.386 4.708 2051 1910 A 40 LEU HDx% A 41 PHE H 1.0 2.386 4.708 2052 1911 A 50 SER HA A 50 SER H 1.0 1.989 6.589 2053 1912 A 50 SER HBx A 50 SER H 1.0 1.986 6.688 2054 1913 A 50 SER HBx A 51 PHE H 1.0 1.999 6.139 2055 1914 A 53 PHE HA A 53 PHE H 1.0 1.714 3.262 2056 1915 A 55 GLU H A 54 THR H 1.0 1.905 7.833 2057 1916 A 55 GLU H A 55 GLU HA 1.0 1.977 5.163 2058 1917 A 55 GLU H A 56 PHE HE2 1.0 1.905 7.829 2059 1917 A 55 GLU H A 56 PHE HE1 1.0 1.905 7.829 2060 1918 A 55 GLU HBy A 56 PHE H 1.0 1.903 7.859 2061 1919 A 58 GLU HB3 A 58 GLU H 1.0 1.611 2.861 2062 1920 A 60 ALA H A 61 ALA HA 1.0 1.989 5.407 2063 1921 A 19 GLU H A 18 VAL HGx% 1.0 1.970 5.056 2064 1921 A 18 VAL HGy% A 19 GLU H 1.0 1.970 5.056 2065 1922 A 25 ILE HG1y A 25 ILE H 1.0 1.861 4.035 2066 1923 A 70 LEU H A 70 LEU HA 1.0 1.976 5.144 2067 1924 A 38 ARG H A 86 LEU H 1.0 1.822 3.790 2068 1925 A 88 ALA H A 35 PRO HA 1.0 1.953 7.263 2069 1926 A 93 GLN H A 93 GLN HBx 1.0 1.789 3.613 2070 1927 A 99 MET H A 99 MET HBy 1.0 1.690 3.162 2071 1928 A 42 ASN HD21 A 42 ASN H 1.0 1.973 6.953 2072 1929 A 32 GLN HE21 A 32 GLN HE22 1.0 1.260 1.874 2073 1930 A 89 ASN HBx A 89 ASN HD21 1.0 1.998 6.262 2074 1931 A 89 ASN HBx A 89 ASN HD22 1.0 1.964 4.962 2075 1932 A 47 ASN HD22 A 47 ASN HD21 1.0 1.304 1.978 2076 1933 A 13 GLN HE22 A 13 GLN HE21 1.0 1.293 1.951 2077 1934 A 34 ALA H A 35 PRO HDy 1.0 1.989 5.429 2078 1935 A 20 MET HGy A 20 MET H 1.0 2.000 5.986 2079 1936 A 29 VAL H A 66 ARG H 1.0 1.758 3.460 2080 1937 A 34 ALA H A 33 PRO HBy 1.0 1.920 4.484 2081 1938 A 44 SER H A 40 LEU HA 1.0 1.994 6.442 2082 1939 A 45 VAL H A 44 SER HA 1.0 1.701 3.205 2083 1940 A 48 GLU H A 49 THR H 1.0 1.714 9.310 2084 1941 A 49 THR H A 53 PHE HBx 1.0 1.839 8.429 2085 1942 A 49 THR HG2% A 50 SER H 1.0 1.813 8.631 2086 1943 A 53 PHE H A 54 THR H 1.0 1.941 7.439 2087 1944 A 72 LEU H A 72 LEU HA 1.0 1.920 4.480 2088 1945 A 78 VAL HGx% A 80 ASN H 1.0 1.999 6.119 2089 1946 A 85 LEU H A 96 ALA HB% 1.0 1.903 4.339 2090 1947 A 94 ALA H A 10 ALA HB% 1.0 1.813 3.739 2091 1948 A 96 ALA H A 84 THR HA 1.0 1.983 5.281 2092 1949 A 102 PHE H A 80 ASN HD21 1.0 2.863 4.791 2093 1950 A 70 LEU H A 70 LEU HG 1.0 1.946 7.376 2094 1951 A 70 LEU H A 70 LEU HDy% 1.0 1.972 6.976 2095 1952 A 83 TYR HD2 A 100 ALA H 1.0 1.999 5.789 2096 1952 A 83 TYR HD1 A 100 ALA H 1.0 1.999 5.789 2097 1953 A 54 THR HG2% A 39 TRP HE1 1.0 1.900 4.310 2098 1954 A 70 LEU H A 25 ILE H 1.0 1.784 3.588 2099 1955 A 76 THR HA A 79 ASN H 1.0 1.895 7.939 2100 1956 A 56 PHE HA A 56 PHE H 1.0 1.835 3.871 2101 1957 A 14 LEU H A 13 GLN HGy 1.0 1.825 8.541 2102 1958 A 18 VAL H A 19 GLU H 1.0 1.987 6.657 2103 1959 A 35 PRO HDy A 31 GLY H 1.0 1.995 6.435 2104 1959 A 65 VAL HA A 31 GLY H 1.0 1.995 6.435 2105 1960 A 37 LEU H A 38 ARG H 1.0 1.993 6.461 2106 1961 A 65 VAL H A 30 ASP HA 1.0 2.000 6.018 2107 1962 A 27 PHE HD1 A 68 GLY H 1.0 1.993 5.519 2108 1963 A 55 GLU HBy A 69 CYS H 1.0 1.966 4.992 2109 1964 A 48 GLU HBy A 54 THR H 1.0 1.814 8.630 2110 1965 A 83 TYR H A 83 TYR HE2 1.0 1.932 7.534 2111 1965 A 83 TYR H A 83 TYR HE1 1.0 1.932 7.534 2112 1966 A 83 TYR H A 97 SER HA 1.0 1.868 8.192 2113 1967 A 70 LEU HG A 25 ILE H 1.0 1.962 7.138 2114 1968 A 70 LEU HDy% A 25 ILE H 1.0 1.946 7.370 2115 1969 A 33 PRO HDx A 89 ASN HD21 1.0 1.971 6.993 2116 1970 A 92 GLY HAx A 89 ASN HD21 1.0 1.710 9.336 2117 1971 A 83 TYR HD2 A 40 LEU H 1.0 1.894 7.954 2118 1971 A 83 TYR HD1 A 40 LEU H 1.0 1.894 7.954 2119 1972 A 54 THR H A 70 LEU HDy% 1.0 1.997 6.321 2120 1973 A 54 THR H A 70 LEU HDx% 1.0 2.092 5.598 2121 1974 A 26 PRO HA A 69 CYS H 1.0 1.936 7.496 2122 1975 A 70 LEU HDy% A 69 CYS H 1.0 1.947 7.355 2123 1976 A 70 LEU HDx% A 69 CYS H 1.0 1.979 6.851 2124 1977 A 70 LEU H A 71 ARG HGx 1.0 1.669 9.581 2125 1978 A 72 LEU H A 23 TRP H 1.0 1.988 5.390 2126 1979 A 55 GLU H A 69 CYS H 1.0 1.864 4.044 2127 1980 A 14 LEU H A 14 LEU HA 1.0 1.946 4.740 2128 1981 A 11 SER H A 30 ASP HBy 1.0 1.949 7.337 2129 1982 A 66 ARG HDy A 29 VAL H 1.0 1.999 5.817 2130 1983 A 72 LEU H A 23 TRP HBy 1.0 2.000 6.036 2131 1984 A 25 ILE HB A 70 LEU H 1.0 1.884 4.194 2132 1985 A 30 ASP H A 11 SER HBx 1.0 1.884 8.050 2133 1986 A 29 VAL H A 65 VAL HGx% 1.0 1.853 3.979 2134 1986 A 65 VAL HGy% A 29 VAL H 1.0 1.853 3.979 2135 1987 A 69 CYS HA A 27 PHE H 1.0 1.975 5.145 2136 1988 A 25 ILE HB A 24 CYS H 1.0 1.986 6.682 2137 1989 A 56 PHE HA A 69 CYS H 1.0 1.998 6.260 2138 1990 A 56 PHE HA A 68 GLY H 1.0 1.965 7.099 2139 1991 A 30 ASP HA A 66 ARG H 1.0 1.892 4.244 2140 1992 A 98 ILE HD1% A 83 TYR H 1.0 1.941 4.683 2141 1993 A 97 SER HBy A 82 ASN HD21 1.0 1.917 7.707 2142 1994 A 8 PHE HD2 A 31 GLY H 1.0 2.641 5.383 2143 1994 A 8 PHE HD1 A 31 GLY H 1.0 2.641 5.383 2144 1995 A 44 SER H A 40 LEU HBy 1.0 1.998 6.264 2145 1996 A 18 VAL H A 18 VAL HGx% 1.0 1.601 2.825 2146 1997 A 24 CYS H A 23 TRP HE3 1.0 2.000 6.058 2147 1998 A 102 PHE HBx A 23 TRP HE1 1.0 1.982 6.780 2148 1999 A 71 ARG H A 71 ARG HGx 1.0 2.000 6.008 2149 2000 A 102 PHE H A 103 MET H 1.0 2.963 3.891 2150 2001 A 102 PHE HA A 23 TRP HE3 1.0 2.000 5.988 2151 2001 A 102 PHE HA A 23 TRP HH2 1.0 2.000 5.988 2152 2002 A 93 GLN HA A 89 ASN H 1.0 1.959 4.893 2153 2002 A 93 GLN HA A 87 ALA H 1.0 1.959 4.893 2154 2003 A 86 LEU HDx% A 85 LEU H 1.0 1.931 4.585 2155 2003 A 86 LEU HDx% A 87 ALA H 1.0 1.931 4.585 2156 2004 A 87 ALA HA A 86 LEU HDx% 1.0 1.997 5.657 2157 2004 A 86 LEU HDx% A 84 THR HA 1.0 1.997 5.657 2158 2005 A 14 LEU HDy% A 85 LEU HBy 1.0 1.684 3.134 2159 2005 A 14 LEU HDy% A 25 ILE HD1% 1.0 1.684 3.134 2160 2006 A 78 VAL HGy% A 76 THR H 1.0 2.000 5.946 2161 2006 A 78 VAL HGy% A 77 HIS H 1.0 2.000 5.946 2162 2007 A 98 ILE HG2% A 97 SER HA 1.0 1.912 4.412 2163 2007 A 97 SER HA A 84 THR HG2% 1.0 1.912 4.412 2164 2008 A 60 ALA HA A 59 PRO HBx 1.0 1.749 9.079 2165 2008 A 59 PRO HBx A 58 GLU HA 1.0 1.749 9.079 2166 2009 A 60 ALA HA A 59 PRO HBy 1.0 1.965 7.081 2167 2009 A 59 PRO HBy A 58 GLU HA 1.0 1.965 7.081 2168 2010 A 39 TRP H A 38 ARG HGx 1.0 1.986 5.326 2169 2010 A 39 TRP H A 38 ARG HGy 1.0 1.986 5.326 2170 2010 A 38 ARG HGy A 38 ARG HE 1.0 1.986 5.326 2171 2011 A 40 LEU HDx% A 38 ARG HGx 1.0 1.913 4.411 2172 2011 A 38 ARG HGy A 40 LEU HDx% 1.0 1.913 4.411 2173 2011 A 86 LEU HDy% A 38 ARG HGx 1.0 1.913 4.411 2174 2012 A 59 PRO HA A 59 PRO HGy 1.0 1.999 5.809 2175 2012 A 59 PRO HA A 59 PRO HGx 1.0 1.999 5.809 2176 2013 A 16 THR HB A 18 VAL HGx% 1.0 1.970 5.054 2177 2013 A 98 ILE HD1% A 16 THR HB 1.0 1.970 5.054 2178 2014 A 29 VAL HGy% A 37 LEU H 1.0 1.964 4.968 2179 2014 A 29 VAL HGy% A 31 GLY H 1.0 1.964 4.968 2180 2015 A 98 ILE H A 83 TYR HD1 1.0 1.664 9.618 2181 2015 A 42 ASN H A 83 TYR HD1 1.0 1.664 9.618 2182 2016 A 81 GLY HAy A 99 MET HA 1.0 1.914 7.742 2183 2016 A 93 GLN HA A 92 GLY HAy 1.0 1.914 7.742 2184 2017 A 101 ALA HB% A 103 MET HA 1.0 2.000 6.006 2185 2017 A 103 MET HA A 103 MET HE% 1.0 2.000 6.006 2186 2018 A 14 LEU H A 13 GLN HGy 1.0 1.628 9.822 2187 2018 A 14 LEU H A 13 GLN HGx 1.0 1.628 9.822 2188 2019 A 83 TYR HD1 A 84 THR HG2% 1.0 1.940 7.448 2189 2019 A 83 TYR HD1 A 14 LEU HDx% 1.0 1.940 7.448 2190 2020 A 27 PHE HBy A 14 LEU HDx% 1.0 1.884 4.190 2191 2020 A 27 PHE HBx A 14 LEU HDx% 1.0 1.884 4.190 2192 2021 A 16 THR HA A 15 HIS HA 1.0 1.955 7.249 2193 2021 A 16 THR HA A 17 ALA HA 1.0 1.955 7.249 2194 2022 A 17 ALA HB% A 25 ILE HA 1.0 1.878 4.148 2195 2022 A 17 ALA HB% A 100 ALA HA 1.0 1.878 4.148 2196 2023 A 57 LEU HA A 58 GLU HB3 1.0 1.956 4.854 2197 2023 A 57 LEU HA A 58 GLU HB2 1.0 1.956 4.854 2198 2023 A 46 LEU HA A 45 VAL HB 1.0 1.956 4.854 2199 2023 A 102 PHE HBy A 103 MET HA 1.0 1.956 4.854 2200 2024 A 69 CYS HBy A 71 ARG HGx 1.0 1.509 10.455 2201 2024 A 57 LEU HDy% A 69 CYS HBy 1.0 1.509 10.455 2202 2025 A 57 LEU HBx A 70 LEU HA 1.0 0.756 13.556 2203 2025 A 38 ARG HGx A 70 LEU HA 1.0 0.756 13.556 2204 2025 A 70 LEU HA A 37 LEU HG 1.0 0.756 13.556 2205 2025 A 20 MET HBy A 70 LEU HA 1.0 0.756 13.556 2206 2026 A 70 LEU HBx A 23 TRP HBx 1.0 1.883 8.057 2207 2026 A 70 LEU HBx A 83 TYR HBx 1.0 1.883 8.057 2208 2027 A 37 LEU HA A 12 VAL HA 1.0 1.981 6.805 2209 2027 A 14 LEU HA A 12 VAL HA 1.0 1.981 6.805 2210 2028 A 57 LEU HDy% A 57 LEU HG 1.0 1.361 2.117 2211 2028 A 57 LEU HDx% A 57 LEU HG 1.0 1.361 2.117 2212 2029 A 24 CYS HBy A 26 PRO HGy 1.0 1.937 7.479 2213 2029 A 24 CYS HBy A 20 MET HGy 1.0 1.937 7.479 2214 2029 A 18 VAL HB A 24 CYS HBy 1.0 1.937 7.479 2215 2030 A 98 ILE HG2% A 82 ASN HA 1.0 1.995 6.411 2216 2030 A 98 ILE HG2% A 14 LEU HA 1.0 1.995 6.411 2217 2031 A 67 HIS HBy A 65 VAL HGx% 1.0 1.982 5.256 2218 2031 A 30 ASP HBx A 65 VAL HGx% 1.0 1.982 5.256 2219 2032 A 12 VAL HGy% A 95 SER H 1.0 1.967 5.017 2220 2032 A 12 VAL HGx% A 95 SER H 1.0 1.967 5.017 2221 2033 A 100 ALA HA A 99 MET HE% 1.0 1.991 6.557 2222 2033 A 98 ILE HA A 99 MET HE% 1.0 1.991 6.557 2223 2034 A 12 VAL HGx% A 94 ALA HB% 1.0 1.201 1.741 2224 2034 A 12 VAL HGy% A 96 ALA HB% 1.0 1.201 1.741 2225 2034 A 12 VAL HGx% A 96 ALA HB% 1.0 1.201 1.741 2226 2034 A 12 VAL HGy% A 94 ALA HB% 1.0 1.201 1.741 2227 2035 A 65 VAL HGy% A 30 ASP H 1.0 1.958 4.882 2228 2035 A 65 VAL HGy% A 66 ARG H 1.0 1.958 4.882 2229 2036 A 106 PRO HDy A 106 PRO HGx 1.0 1.604 2.836 2230 2036 A 66 ARG HGy A 66 ARG HDx 1.0 1.604 2.836 2231 2037 A 52 ILE HD1% A 72 LEU HDy% 1.0 1.443 2.335 2232 2037 A 52 ILE HG2% A 72 LEU HDy% 1.0 1.443 2.335 2233 2038 A 23 TRP HZ3 A 23 TRP HH2 1.0 1.683 3.133 2234 2038 A 23 TRP HZ3 A 23 TRP HE3 1.0 1.683 3.133 2235 2039 A 8 PHE HD1 A 6 VAL HGy% 1.0 2.661 5.631 2236 2039 A 8 PHE HD2 A 6 VAL HGx% 1.0 2.661 5.631 2237 2039 A 8 PHE HD1 A 6 VAL HGx% 1.0 2.661 5.631 2238 2039 A 8 PHE HD2 A 6 VAL HGy% 1.0 2.661 5.631 2239 2040 A 15 HIS HD2 A 13 GLN HBx 1.0 1.854 3.982 2240 2040 A 13 GLN HBy A 15 HIS HD2 1.0 1.854 3.982 2241 2041 A 66 ARG HBx A 56 PHE HD2 1.0 1.976 5.146 2242 2041 A 56 PHE HD2 A 66 ARG HBy 1.0 1.976 5.146 2243 2041 A 56 PHE HD1 A 66 ARG HBy 1.0 1.976 5.146 2244 2041 A 66 ARG HBx A 56 PHE HD1 1.0 1.976 5.146 2245 2042 A 39 TRP HH2 A 39 TRP HE1 1.0 1.993 5.545 2246 2042 A 27 PHE HE1 A 39 TRP HE1 1.0 1.993 5.545 2247 2043 A 41 PHE HBx A 42 ASN H 1.0 1.999 6.185 2248 2043 A 42 ASN HBx A 42 ASN H 1.0 1.999 6.185 2249 2044 A 94 ALA H A 93 GLN H 1.0 2.000 5.960 2250 2044 A 94 ALA H A 95 SER H 1.0 2.000 5.960 2251 2045 A 86 LEU HDx% A 96 ALA H 1.0 1.876 4.134 2252 2045 A 12 VAL HGx% A 96 ALA H 1.0 1.876 4.134 2253 2046 A 98 ILE H A 82 ASN HA 1.0 1.986 5.362 2254 2046 A 98 ILE H A 84 THR HA 1.0 1.986 5.362 2255 2047 A 105 ASN H A 105 ASN HA 1.0 1.624 2.908 2256 2047 A 105 ASN H A 104 ASP HA 1.0 1.624 2.908 2257 2048 A 61 ALA H A 61 ALA HB% 1.0 1.556 2.674 2258 2048 A 61 ALA H A 60 ALA HB% 1.0 1.556 2.674 2259 2049 A 32 GLN HE22 A 32 GLN HGy 1.0 1.984 6.728 2260 2049 A 32 GLN HGx A 32 GLN HE22 1.0 1.984 6.728 2261 2050 A 102 PHE HD1 A 102 PHE H 1.0 2.312 3.334 2262 2050 A 102 PHE H A 102 PHE HD2 1.0 2.312 3.334 2263 2050 A 102 PHE H A 102 PHE HE1 1.0 2.312 3.334 2264 2050 A 102 PHE H A 102 PHE HZ 1.0 2.312 3.334 2265 2050 A 102 PHE H A 102 PHE HE2 1.0 2.312 3.334 2266 2050 A 102 PHE H A 103 MET H 1.0 2.312 3.334 2267 2051 A 65 VAL HGx% A 28 SER H 1.0 1.975 6.911 2268 2051 A 37 LEU HDy% A 28 SER H 1.0 1.975 6.911 2269 2051 A 12 VAL HGy% A 28 SER H 1.0 1.975 6.911 2270 2052 A 49 THR HA A 50 SER H 1.0 1.853 3.979 2271 2052 A 49 THR HB A 50 SER H 1.0 1.853 3.979 2272 2053 A 70 LEU HA A 39 TRP HE1 1.0 1.976 6.890 2273 2053 A 54 THR HB A 39 TRP HE1 1.0 1.976 6.890 stop_ save_