data_nef_c30491_6e25 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6E25 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 7 ASP OD2 2 1 ZN ZN 1 10 CYS SG 2 1 ZN ZN 1 73 HIS ND1 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 SER middle . . 3 A 3 ASP middle . . 4 A 4 TYR middle . . 5 A 5 GLU middle . . 6 A 6 ASN middle . . 7 A 7 ASP middle . . 8 A 8 ASP middle . . 9 A 9 GLU middle . . 10 A 10 CYS middle -HG . 11 A 11 TRP middle . . 12 A 12 SER middle . . 13 A 13 VAL middle . . 14 A 14 LEU middle . . 15 A 15 GLU middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 THR middle . . 21 A 21 LEU middle . . 22 A 22 THR middle . . 23 A 23 SER middle . . 24 A 24 VAL middle . . 25 A 25 ILE middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 SER middle . . 29 A 29 ARG middle . . 30 A 30 ILE middle . . 31 A 31 THR middle . . 32 A 32 PRO middle . false 33 A 33 TYR middle . . 34 A 34 LEU middle . . 35 A 35 ARG middle . . 36 A 36 GLN middle . . 37 A 37 CYS middle . . 38 A 38 LYS middle . . 39 A 39 VAL middle . . 40 A 40 LEU middle . . 41 A 41 ASN middle . . 42 A 42 PRO middle . false 43 A 43 ASP middle . . 44 A 44 ASP middle . . 45 A 45 GLU middle . . 46 A 46 GLU middle . . 47 A 47 GLN middle . . 48 A 48 VAL middle . . 49 A 49 LEU middle . . 50 A 50 SER middle . . 51 A 51 ASP middle . . 52 A 52 PRO middle . false 53 A 53 ASN middle . . 54 A 54 LEU middle . . 55 A 55 VAL middle . . 56 A 56 ILE middle . . 57 A 57 ARG middle . . 58 A 58 LYS middle . . 59 A 59 ARG middle . . 60 A 60 LYS middle . . 61 A 61 VAL middle . . 62 A 62 GLY middle . false 63 A 63 VAL middle . . 64 A 64 LEU middle . . 65 A 65 LEU middle . . 66 A 66 ASP middle . . 67 A 67 ILE middle . . 68 A 68 LEU middle . . 69 A 69 GLN middle . . 70 A 70 ARG middle . . 71 A 71 THR middle . . 72 A 72 GLY middle . false 73 A 73 HIS middle -HD1 . 74 A 74 LYS middle . . 75 A 75 GLY middle . false 76 A 76 TYR middle . . 77 A 77 VAL middle . . 78 A 78 ALA middle . . 79 A 79 PHE middle . . 80 A 80 LEU middle . . 81 A 81 GLU middle . . 82 A 82 SER middle . . 83 A 83 LEU middle . . 84 A 84 GLU middle . . 85 A 85 LEU middle . . 86 A 86 TYR middle . . 87 A 87 TYR middle . . 88 A 88 PRO middle . false 89 A 89 GLN middle . . 90 A 90 LEU middle . . 91 A 91 TYR middle . . 92 A 92 LYS middle . . 93 A 93 LYS middle . . 94 A 94 VAL middle . . 95 A 95 THR middle . . 96 A 96 GLY middle . false 97 A 97 LYS end . . 98 B 1 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.515 0.004 A 2 SER HBy H 1 3.911 . A 2 SER HBx H 1 3.841 0.001 A 2 SER CA C 13 58.421 0.04 A 2 SER CB C 13 63.799 . A 3 ASP H H 1 8.146 0.003 A 3 ASP HA H 1 4.573 0.009 A 3 ASP HBx H 1 2.523 0.014 A 3 ASP HBy H 1 2.601 0.014 A 3 ASP CA C 13 54.764 0.081 A 3 ASP CB C 13 41.163 0.064 A 3 ASP N N 15 121.783 0.053 A 4 TYR H H 1 7.898 0.012 A 4 TYR HA H 1 4.690 0.006 A 4 TYR HBy H 1 3.140 0.015 A 4 TYR HBx H 1 2.980 0.007 A 4 TYR HD1 H 1 7.145 0.014 A 4 TYR HD2 H 1 7.145 0.014 A 4 TYR HE1 H 1 6.861 0.009 A 4 TYR HE2 H 1 6.861 0.009 A 4 TYR CA C 13 57.452 0.051 A 4 TYR CB C 13 38.911 0.064 A 4 TYR CD1 C 13 133.406 0.108 A 4 TYR CD2 C 13 133.406 0.108 A 4 TYR CE1 C 13 118.334 0.189 A 4 TYR CE2 C 13 118.334 0.189 A 4 TYR N N 15 119.236 0.058 A 5 GLU H H 1 8.221 0.008 A 5 GLU HA H 1 4.344 0.008 A 5 GLU HBx H 1 1.930 0.002 A 5 GLU HBy H 1 2.043 0.013 A 5 GLU HGy H 1 2.266 0.008 A 5 GLU HGx H 1 2.246 0.008 A 5 GLU CA C 13 56.306 0.079 A 5 GLU CB C 13 30.846 0.127 A 5 GLU CG C 13 36.216 0.103 A 5 GLU N N 15 122.145 0.06 A 6 ASN H H 1 8.336 0.007 A 6 ASN HA H 1 4.749 0.004 A 6 ASN HBy H 1 2.803 0.016 A 6 ASN HBx H 1 2.780 0.012 A 6 ASN HD21 H 1 6.926 0.001 A 6 ASN HD22 H 1 7.605 0.001 A 6 ASN CA C 13 53.520 0.038 A 6 ASN CB C 13 39.730 0.025 A 6 ASN N N 15 119.860 0.068 A 6 ASN ND2 N 15 113.225 0.021 A 7 ASP HA H 1 4.939 0.009 A 7 ASP HBy H 1 2.885 0.014 A 7 ASP HBx H 1 2.778 0.02 A 7 ASP CA C 13 53.266 0.035 A 7 ASP CB C 13 40.489 0.123 A 8 ASP H H 1 8.428 0.002 A 8 ASP HA H 1 4.674 0.009 A 8 ASP HB2 H 1 2.806 0.009 A 8 ASP HB3 H 1 2.806 0.009 A 8 ASP CA C 13 56.164 0.058 A 8 ASP CB C 13 41.354 0.026 A 8 ASP N N 15 121.538 0.013 A 9 GLU HA H 1 4.150 0.012 A 9 GLU HB2 H 1 2.127 0.005 A 9 GLU HB3 H 1 2.127 0.005 A 9 GLU HGx H 1 2.360 0.001 A 9 GLU HGy H 1 2.360 0.0 A 9 GLU CA C 13 59.409 0.095 A 9 GLU CB C 13 29.525 0.09 A 9 GLU CG C 13 36.327 0.024 A 10 CYS H H 1 7.358 0.013 A 10 CYS HA H 1 3.677 0.009 A 10 CYS HBx H 1 0.972 0.024 A 10 CYS HBy H 1 1.772 0.005 A 10 CYS CA C 13 62.624 0.14 A 10 CYS CB C 13 26.457 0.038 A 10 CYS N N 15 120.249 0.049 A 11 TRP H H 1 7.414 0.009 A 11 TRP HA H 1 4.186 0.011 A 11 TRP HBy H 1 3.328 0.014 A 11 TRP HBx H 1 3.225 0.013 A 11 TRP HD1 H 1 7.547 0.009 A 11 TRP HE1 H 1 9.602 0.005 A 11 TRP HE3 H 1 7.697 0.012 A 11 TRP HH2 H 1 6.510 0.011 A 11 TRP HZ2 H 1 6.912 0.008 A 11 TRP HZ3 H 1 6.632 0.009 A 11 TRP CA C 13 61.184 0.067 A 11 TRP CB C 13 29.119 0.061 A 11 TRP CD1 C 13 127.718 0.097 A 11 TRP CE3 C 13 120.397 0.102 A 11 TRP CH2 C 13 124.692 0.18 A 11 TRP CZ2 C 13 114.342 0.105 A 11 TRP CZ3 C 13 121.901 0.056 A 11 TRP N N 15 115.052 0.063 A 11 TRP NE1 N 15 127.381 0.042 A 12 SER H H 1 8.241 0.009 A 12 SER HA H 1 4.296 0.007 A 12 SER HBy H 1 4.134 0.01 A 12 SER HBx H 1 4.021 0.008 A 12 SER CA C 13 62.026 0.087 A 12 SER CB C 13 62.772 0.037 A 12 SER N N 15 115.356 0.046 A 13 VAL H H 1 7.531 0.008 A 13 VAL HA H 1 3.923 0.01 A 13 VAL HB H 1 2.369 0.006 A 13 VAL HG1% H 1 1.117 0.009 A 13 VAL HG2% H 1 1.147 0.009 A 13 VAL CA C 13 65.399 0.065 A 13 VAL CB C 13 31.912 0.027 A 13 VAL CG1 C 13 21.104 0.037 A 13 VAL CG2 C 13 22.186 0.061 A 13 VAL N N 15 121.988 0.038 A 14 LEU H H 1 7.423 0.009 A 14 LEU HA H 1 4.497 0.009 A 14 LEU HBy H 1 2.144 0.011 A 14 LEU HBx H 1 1.809 0.007 A 14 LEU HD1% H 1 0.956 0.01 A 14 LEU HD2% H 1 0.947 0.014 A 14 LEU HG H 1 1.975 0.014 A 14 LEU CA C 13 56.417 0.094 A 14 LEU CB C 13 41.966 0.053 A 14 LEU CD1 C 13 26.301 0.092 A 14 LEU CD2 C 13 23.947 0.126 A 14 LEU CG C 13 27.372 0.055 A 14 LEU N N 15 117.750 0.042 A 15 GLU H H 1 8.063 0.007 A 15 GLU HA H 1 4.184 0.01 A 15 GLU HBx H 1 2.152 0.009 A 15 GLU HBy H 1 2.242 0.018 A 15 GLU HG2 H 1 2.418 0.011 A 15 GLU HG3 H 1 2.418 0.011 A 15 GLU CA C 13 59.645 0.039 A 15 GLU CB C 13 29.485 0.053 A 15 GLU CG C 13 35.883 0.024 A 15 GLU N N 15 120.570 0.025 A 16 GLY H H 1 8.096 0.008 A 16 GLY HAy H 1 4.006 0.004 A 16 GLY HAx H 1 3.759 0.011 A 16 GLY CA C 13 46.230 0.065 A 16 GLY N N 15 105.566 0.035 A 17 PHE H H 1 7.928 0.004 A 17 PHE HA H 1 5.032 0.006 A 17 PHE HBx H 1 2.871 0.007 A 17 PHE HBy H 1 3.430 0.012 A 17 PHE HD1 H 1 7.343 0.013 A 17 PHE HD2 H 1 7.343 0.013 A 17 PHE CA C 13 57.458 0.04 A 17 PHE CB C 13 40.280 0.052 A 17 PHE CD1 C 13 131.931 0.171 A 17 PHE CD2 C 13 131.931 0.171 A 17 PHE N N 15 116.825 0.022 A 18 ARG H H 1 7.777 0.004 A 18 ARG HA H 1 3.793 0.014 A 18 ARG HBx H 1 1.941 0.004 A 18 ARG HBy H 1 2.195 0.012 A 18 ARG HDx H 1 3.252 0.015 A 18 ARG HDy H 1 3.327 0.027 A 18 ARG HGy H 1 1.591 0.014 A 18 ARG HGx H 1 1.560 0.016 A 18 ARG CA C 13 62.200 0.045 A 18 ARG CB C 13 30.920 0.041 A 18 ARG CD C 13 43.069 0.063 A 18 ARG CG C 13 29.059 0.042 A 18 ARG N N 15 123.035 0.05 A 19 VAL H H 1 8.649 0.005 A 19 VAL HA H 1 3.699 0.007 A 19 VAL HB H 1 2.120 0.002 A 19 VAL HG1% H 1 0.937 0.021 A 19 VAL HG2% H 1 1.036 0.022 A 19 VAL CA C 13 66.893 0.052 A 19 VAL CB C 13 31.150 0.026 A 19 VAL CG1 C 13 20.917 0.077 A 19 VAL CG2 C 13 22.474 0.077 A 19 VAL N N 15 118.524 0.035 A 20 THR H H 1 7.681 0.017 A 20 THR HA H 1 4.028 0.005 A 20 THR HB H 1 4.243 0.005 A 20 THR HG2% H 1 1.238 0.011 A 20 THR CA C 13 66.947 0.023 A 20 THR CB C 13 68.991 0.061 A 20 THR CG2 C 13 22.084 0.04 A 20 THR N N 15 119.236 0.021 A 21 LEU H H 1 8.595 0.011 A 21 LEU HA H 1 3.892 0.02 A 21 LEU HBy H 1 2.084 0.013 A 21 LEU HBx H 1 1.352 0.013 A 21 LEU HD1% H 1 1.065 0.008 A 21 LEU HD2% H 1 0.934 0.008 A 21 LEU HG H 1 2.074 0.011 A 21 LEU CA C 13 58.859 0.069 A 21 LEU CB C 13 42.277 0.039 A 21 LEU CD1 C 13 26.527 0.039 A 21 LEU CD2 C 13 23.544 0.1 A 21 LEU CG C 13 26.646 0.047 A 21 LEU N N 15 118.594 0.04 A 22 THR H H 1 8.518 0.009 A 22 THR HA H 1 3.931 0.008 A 22 THR HB H 1 4.557 0.007 A 22 THR HG2% H 1 1.278 0.008 A 22 THR CA C 13 64.453 0.029 A 22 THR CB C 13 69.162 0.026 A 22 THR CG2 C 13 21.634 0.029 A 22 THR N N 15 106.156 0.028 A 23 SER H H 1 7.550 0.009 A 23 SER HA H 1 4.450 0.006 A 23 SER HBx H 1 4.007 0.011 A 23 SER HBy H 1 4.103 0.017 A 23 SER CA C 13 60.921 0.049 A 23 SER CB C 13 64.077 0.037 A 23 SER N N 15 114.638 0.058 A 24 VAL H H 1 7.400 0.005 A 24 VAL HA H 1 4.066 0.007 A 24 VAL HB H 1 1.789 0.01 A 24 VAL HG1% H 1 0.846 0.014 A 24 VAL HG2% H 1 1.015 0.006 A 24 VAL CA C 13 64.143 0.018 A 24 VAL CB C 13 34.641 0.023 A 24 VAL CG1 C 13 21.959 0.058 A 24 VAL CG2 C 13 22.238 0.036 A 24 VAL N N 15 118.107 0.025 A 25 ILE H H 1 7.183 0.005 A 25 ILE HA H 1 3.034 0.009 A 25 ILE HB H 1 1.692 0.005 A 25 ILE HD1% H 1 0.730 0.006 A 25 ILE HG1y H 1 1.370 0.007 A 25 ILE HG1x H 1 0.224 0.012 A 25 ILE HG2% H 1 0.523 0.009 A 25 ILE CA C 13 63.394 0.04 A 25 ILE CB C 13 38.683 0.046 A 25 ILE CD1 C 13 14.768 0.038 A 25 ILE CG1 C 13 28.451 0.085 A 25 ILE CG2 C 13 16.162 0.064 A 25 ILE N N 15 116.778 0.019 A 26 ASP H H 1 8.024 0.004 A 26 ASP HA H 1 4.984 0.005 A 26 ASP HBy H 1 3.030 0.007 A 26 ASP HBx H 1 2.692 0.008 A 26 ASP CA C 13 49.375 0.048 A 26 ASP CB C 13 41.459 0.052 A 26 ASP N N 15 124.516 0.034 A 27 PRO HA H 1 3.969 0.009 A 27 PRO HBx H 1 2.008 0.011 A 27 PRO HBy H 1 2.008 0.011 A 27 PRO HDy H 1 4.171 0.005 A 27 PRO HDx H 1 3.977 0.01 A 27 PRO HGx H 1 1.794 0.016 A 27 PRO HGy H 1 2.159 0.014 A 27 PRO CA C 13 64.998 0.029 A 27 PRO CB C 13 31.922 0.054 A 27 PRO CD C 13 50.269 0.061 A 27 PRO CG C 13 27.314 0.079 A 28 SER H H 1 8.156 0.011 A 28 SER HA H 1 4.228 0.008 A 28 SER HB2 H 1 3.942 0.006 A 28 SER HB3 H 1 3.942 0.006 A 28 SER CA C 13 61.268 0.018 A 28 SER CB C 13 62.993 0.107 A 28 SER N N 15 113.002 0.024 A 29 ARG H H 1 7.762 0.007 A 29 ARG HA H 1 4.058 0.007 A 29 ARG HB2 H 1 1.937 0.011 A 29 ARG HB3 H 1 1.937 0.011 A 29 ARG HD3 H 1 3.166 0.015 A 29 ARG HGy H 1 1.569 0.019 A 29 ARG HGx H 1 1.486 0.019 A 29 ARG CA C 13 57.307 0.101 A 29 ARG CB C 13 31.136 0.071 A 29 ARG CD C 13 42.988 0.027 A 29 ARG CG C 13 27.046 0.097 A 29 ARG N N 15 118.943 0.026 A 30 ILE H H 1 6.952 0.008 A 30 ILE HA H 1 4.561 0.007 A 30 ILE HB H 1 2.258 0.012 A 30 ILE HD1% H 1 1.056 0.011 A 30 ILE HG1x H 1 1.202 0.007 A 30 ILE HG1y H 1 1.510 0.008 A 30 ILE HG2% H 1 1.015 0.009 A 30 ILE CA C 13 61.569 0.052 A 30 ILE CB C 13 39.950 0.05 A 30 ILE CD1 C 13 14.658 0.067 A 30 ILE CG1 C 13 26.331 0.089 A 30 ILE CG2 C 13 18.273 0.074 A 30 ILE N N 15 104.955 0.025 A 31 THR H H 1 8.233 0.007 A 31 THR HA H 1 4.003 0.007 A 31 THR HB H 1 4.243 0.005 A 31 THR HG2% H 1 1.197 0.009 A 31 THR CA C 13 68.579 0.026 A 31 THR CB C 13 67.696 0.066 A 31 THR CG2 C 13 22.690 0.025 A 31 THR N N 15 116.595 0.023 A 32 PRO HA H 1 4.202 0.007 A 32 PRO HBx H 1 1.927 0.006 A 32 PRO HBy H 1 2.323 0.007 A 32 PRO HDx H 1 3.226 0.006 A 32 PRO HDy H 1 4.083 0.006 A 32 PRO HGx H 1 1.877 0.012 A 32 PRO HGy H 1 2.038 0.014 A 32 PRO CA C 13 66.875 0.033 A 32 PRO CB C 13 30.629 0.036 A 32 PRO CD C 13 50.802 0.046 A 32 PRO CG C 13 28.740 0.06 A 33 TYR H H 1 7.715 0.005 A 33 TYR HA H 1 4.141 0.012 A 33 TYR HBx H 1 3.046 0.011 A 33 TYR HBy H 1 3.534 0.006 A 33 TYR HD1 H 1 6.977 0.008 A 33 TYR HD2 H 1 6.977 0.008 A 33 TYR HE1 H 1 6.854 0.021 A 33 TYR HE2 H 1 6.854 0.021 A 33 TYR CA C 13 62.122 0.041 A 33 TYR CB C 13 39.112 0.022 A 33 TYR CD1 C 13 132.277 0.089 A 33 TYR CD2 C 13 132.277 0.089 A 33 TYR CE1 C 13 119.184 0.183 A 33 TYR CE2 C 13 119.184 0.183 A 33 TYR N N 15 119.243 0.027 A 34 LEU H H 1 7.906 0.004 A 34 LEU HA H 1 3.873 0.012 A 34 LEU HBx H 1 1.294 0.003 A 34 LEU HBy H 1 2.046 0.005 A 34 LEU HD1% H 1 1.085 0.015 A 34 LEU HD2% H 1 1.024 0.011 A 34 LEU HG H 1 2.283 0.004 A 34 LEU CA C 13 57.866 0.067 A 34 LEU CB C 13 41.607 0.042 A 34 LEU CD1 C 13 27.683 0.043 A 34 LEU CD2 C 13 22.084 0.048 A 34 LEU CG C 13 26.597 0.076 A 34 LEU N N 15 118.750 0.016 A 35 ARG H H 1 8.777 0.004 A 35 ARG HA H 1 4.378 0.006 A 35 ARG HBx H 1 1.916 0.017 A 35 ARG HBy H 1 1.951 0.013 A 35 ARG HDx H 1 3.057 0.013 A 35 ARG HDy H 1 3.125 0.014 A 35 ARG HGx H 1 1.496 0.012 A 35 ARG HGy H 1 1.742 0.012 A 35 ARG CA C 13 58.931 0.063 A 35 ARG CB C 13 29.784 0.126 A 35 ARG CD C 13 43.153 0.158 A 35 ARG CG C 13 27.256 0.101 A 35 ARG N N 15 120.005 0.022 A 36 GLN H H 1 8.124 0.007 A 36 GLN HA H 1 4.080 0.01 A 36 GLN HBx H 1 2.180 0.015 A 36 GLN HBy H 1 2.216 0.013 A 36 GLN HE21 H 1 6.802 0.001 A 36 GLN HE22 H 1 7.261 0.001 A 36 GLN HGy H 1 2.423 0.013 A 36 GLN HGx H 1 2.410 0.009 A 36 GLN CA C 13 59.031 0.049 A 36 GLN CB C 13 28.045 0.026 A 36 GLN CG C 13 33.755 0.014 A 36 GLN N N 15 123.366 0.034 A 36 GLN NE2 N 15 111.214 0.015 A 37 CYS H H 1 7.533 0.006 A 37 CYS HA H 1 4.286 0.009 A 37 CYS HBy H 1 2.895 0.013 A 37 CYS HBx H 1 2.816 0.013 A 37 CYS CA C 13 60.368 0.041 A 37 CYS CB C 13 27.762 0.06 A 37 CYS N N 15 114.462 0.055 A 38 LYS H H 1 7.909 0.005 A 38 LYS HA H 1 4.029 0.012 A 38 LYS HBx H 1 2.048 0.008 A 38 LYS HBy H 1 2.152 0.005 A 38 LYS HDx H 1 1.672 0.004 A 38 LYS HDy H 1 1.767 0.009 A 38 LYS HE2 H 1 3.048 0.0 A 38 LYS HE3 H 1 3.048 0.0 A 38 LYS HGx H 1 1.365 0.014 A 38 LYS HGy H 1 1.380 0.012 A 38 LYS CA C 13 57.515 0.033 A 38 LYS CB C 13 28.434 0.045 A 38 LYS CD C 13 29.031 0.082 A 38 LYS CE C 13 42.501 . A 38 LYS CG C 13 25.019 0.141 A 38 LYS N N 15 112.375 0.019 A 39 VAL H H 1 7.365 0.004 A 39 VAL HA H 1 4.449 0.004 A 39 VAL HB H 1 2.422 0.013 A 39 VAL HG1% H 1 0.857 0.005 A 39 VAL HG2% H 1 0.865 0.006 A 39 VAL CA C 13 61.680 0.076 A 39 VAL CB C 13 31.822 0.066 A 39 VAL CG1 C 13 21.481 0.083 A 39 VAL CG2 C 13 21.255 0.059 A 39 VAL N N 15 109.114 0.059 A 40 LEU H H 1 6.702 0.004 A 40 LEU HA H 1 4.670 0.006 A 40 LEU HBx H 1 1.059 0.007 A 40 LEU HBy H 1 1.439 0.011 A 40 LEU HD1% H 1 0.840 0.007 A 40 LEU HD2% H 1 0.801 0.004 A 40 LEU HG H 1 1.490 0.013 A 40 LEU CA C 13 52.891 0.056 A 40 LEU CB C 13 46.247 0.075 A 40 LEU CD1 C 13 26.020 0.075 A 40 LEU CD2 C 13 25.843 0.08 A 40 LEU CG C 13 27.160 0.003 A 40 LEU N N 15 118.449 0.03 A 41 ASN H H 1 9.677 0.005 A 41 ASN HA H 1 5.002 0.004 A 41 ASN HBy H 1 2.950 0.018 A 41 ASN HBx H 1 2.864 0.009 A 41 ASN HD21 H 1 6.903 0.01 A 41 ASN HD22 H 1 7.699 0.009 A 41 ASN CA C 13 51.554 0.077 A 41 ASN CB C 13 38.294 0.065 A 41 ASN N N 15 125.780 0.034 A 41 ASN ND2 N 15 114.216 0.012 A 42 PRO HA H 1 4.211 0.003 A 42 PRO HBx H 1 1.974 0.004 A 42 PRO HBy H 1 2.376 0.006 A 42 PRO HDx H 1 3.832 0.005 A 42 PRO HDy H 1 3.832 0.005 A 42 PRO HGy H 1 2.198 0.003 A 42 PRO HGx H 1 1.972 0.006 A 42 PRO CA C 13 66.306 0.045 A 42 PRO CB C 13 31.893 0.035 A 42 PRO CD C 13 50.679 0.054 A 42 PRO CG C 13 28.083 0.034 A 43 ASP H H 1 8.350 0.008 A 43 ASP HA H 1 4.390 0.008 A 43 ASP HBx H 1 2.635 0.007 A 43 ASP HBy H 1 2.655 0.016 A 43 ASP CA C 13 56.710 0.073 A 43 ASP CB C 13 39.805 0.043 A 43 ASP N N 15 116.499 0.039 A 44 ASP H H 1 7.750 0.01 A 44 ASP HA H 1 4.407 0.011 A 44 ASP HBx H 1 2.561 0.006 A 44 ASP HBy H 1 2.896 0.005 A 44 ASP CA C 13 56.859 0.028 A 44 ASP CB C 13 42.060 0.039 A 44 ASP N N 15 120.784 0.061 A 45 GLU H H 1 7.834 0.007 A 45 GLU HA H 1 3.676 0.005 A 45 GLU HBx H 1 1.781 0.005 A 45 GLU HBy H 1 2.235 0.008 A 45 GLU HGx H 1 2.026 0.009 A 45 GLU HGy H 1 2.120 0.007 A 45 GLU CA C 13 60.103 0.038 A 45 GLU CB C 13 30.149 0.079 A 45 GLU CG C 13 37.095 0.052 A 45 GLU N N 15 118.540 0.021 A 46 GLU H H 1 7.865 0.006 A 46 GLU HA H 1 3.989 0.008 A 46 GLU HB2 H 1 2.102 0.011 A 46 GLU HB3 H 1 2.102 0.011 A 46 GLU HGx H 1 2.245 0.006 A 46 GLU HGy H 1 2.358 0.009 A 46 GLU CA C 13 59.108 0.033 A 46 GLU CB C 13 29.629 0.035 A 46 GLU CG C 13 36.259 0.027 A 46 GLU N N 15 117.418 0.011 A 47 GLN H H 1 7.672 0.006 A 47 GLN HA H 1 4.119 0.009 A 47 GLN HB2 H 1 2.203 0.005 A 47 GLN HB3 H 1 2.203 0.005 A 47 GLN HE21 H 1 6.711 0.003 A 47 GLN HE22 H 1 7.371 0.001 A 47 GLN HGx H 1 2.382 0.003 A 47 GLN HGy H 1 2.527 0.005 A 47 GLN CA C 13 58.288 0.029 A 47 GLN CB C 13 28.915 0.046 A 47 GLN CG C 13 34.151 0.052 A 47 GLN N N 15 117.312 0.02 A 47 GLN NE2 N 15 111.518 0.038 A 48 VAL H H 1 7.551 0.009 A 48 VAL HA H 1 3.912 0.01 A 48 VAL HB H 1 2.174 0.014 A 48 VAL HG1% H 1 0.882 0.008 A 48 VAL HG2% H 1 0.946 0.019 A 48 VAL CA C 13 64.194 0.155 A 48 VAL CB C 13 32.433 0.015 A 48 VAL CG1 C 13 22.034 0.035 A 48 VAL CG2 C 13 22.054 0.085 A 48 VAL N N 15 114.791 0.047 A 49 LEU H H 1 7.799 0.013 A 49 LEU HA H 1 4.283 0.006 A 49 LEU HBy H 1 1.779 0.005 A 49 LEU HBx H 1 1.527 0.006 A 49 LEU HD1% H 1 0.871 0.012 A 49 LEU HD2% H 1 0.781 0.014 A 49 LEU HG H 1 1.784 0.006 A 49 LEU CA C 13 55.941 0.053 A 49 LEU CB C 13 42.555 0.026 A 49 LEU CD1 C 13 25.554 0.102 A 49 LEU CD2 C 13 22.765 0.03 A 49 LEU CG C 13 26.588 0.058 A 49 LEU N N 15 115.722 0.044 A 50 SER H H 1 7.972 0.005 A 50 SER HA H 1 4.522 0.014 A 50 SER HBy H 1 3.936 0.02 A 50 SER HBx H 1 3.918 0.027 A 50 SER CA C 13 58.257 0.07 A 50 SER CB C 13 64.431 0.02 A 50 SER N N 15 113.406 0.025 A 51 ASP H H 1 7.939 0.01 A 51 ASP HA H 1 4.866 0.004 A 51 ASP HBx H 1 2.682 0.011 A 51 ASP HBy H 1 2.790 0.017 A 51 ASP CA C 13 52.155 0.03 A 51 ASP CB C 13 43.081 0.072 A 51 ASP N N 15 123.287 0.047 A 52 PRO HA H 1 4.362 0.008 A 52 PRO HBy H 1 2.294 0.005 A 52 PRO HBx H 1 1.984 0.009 A 52 PRO HDy H 1 3.883 0.009 A 52 PRO HDx H 1 3.882 0.009 A 52 PRO HGy H 1 2.023 0.013 A 52 PRO HGx H 1 1.945 0.015 A 52 PRO CA C 13 64.034 0.039 A 52 PRO CB C 13 32.088 0.041 A 52 PRO CD C 13 51.230 0.038 A 52 PRO CG C 13 26.971 0.063 A 53 ASN H H 1 8.732 0.005 A 53 ASN HA H 1 4.661 0.009 A 53 ASN HBx H 1 2.826 0.014 A 53 ASN HBy H 1 2.826 0.013 A 53 ASN HD21 H 1 6.965 0.007 A 53 ASN HD22 H 1 7.953 0.004 A 53 ASN CA C 13 53.842 0.044 A 53 ASN CB C 13 39.196 0.113 A 53 ASN N N 15 116.755 0.053 A 53 ASN ND2 N 15 114.724 0.053 A 54 LEU H H 1 8.114 0.005 A 54 LEU HA H 1 4.358 0.006 A 54 LEU HBx H 1 1.624 0.012 A 54 LEU HBy H 1 1.731 0.008 A 54 LEU HD1% H 1 1.002 0.013 A 54 LEU HD2% H 1 0.915 0.017 A 54 LEU HG H 1 1.593 0.009 A 54 LEU CA C 13 55.608 0.057 A 54 LEU CB C 13 41.976 0.034 A 54 LEU CD1 C 13 25.217 0.027 A 54 LEU CD2 C 13 24.235 0.041 A 54 LEU CG C 13 27.184 0.085 A 54 LEU N N 15 124.002 0.02 A 55 VAL H H 1 7.921 0.004 A 55 VAL HA H 1 3.935 0.005 A 55 VAL HB H 1 2.210 0.006 A 55 VAL HG1% H 1 0.949 0.004 A 55 VAL HG2% H 1 0.979 0.006 A 55 VAL CA C 13 64.587 0.042 A 55 VAL CB C 13 32.482 0.042 A 55 VAL CG1 C 13 21.299 0.066 A 55 VAL CG2 C 13 21.125 0.017 A 55 VAL N N 15 117.904 0.021 A 56 ILE H H 1 7.643 0.011 A 56 ILE HA H 1 4.200 0.009 A 56 ILE HB H 1 1.990 0.006 A 56 ILE HD1% H 1 0.932 0.017 A 56 ILE HG1x H 1 1.305 0.004 A 56 ILE HG1y H 1 1.566 0.007 A 56 ILE HG2% H 1 1.054 0.007 A 56 ILE CA C 13 61.415 0.082 A 56 ILE CB C 13 38.437 0.038 A 56 ILE CD1 C 13 12.509 0.028 A 56 ILE CG1 C 13 27.690 0.042 A 56 ILE CG2 C 13 18.230 0.05 A 56 ILE N N 15 119.983 0.036 A 57 ARG HA H 1 3.880 0.012 A 57 ARG HBx H 1 2.043 0.015 A 57 ARG HBy H 1 2.113 0.013 A 57 ARG HDx H 1 3.301 0.007 A 57 ARG HDy H 1 3.301 0.007 A 57 ARG HGx H 1 1.810 0.01 A 57 ARG HGy H 1 1.873 0.005 A 57 ARG CA C 13 60.906 0.031 A 57 ARG CB C 13 30.809 0.049 A 57 ARG CD C 13 43.814 0.037 A 57 ARG CG C 13 26.700 0.052 A 58 LYS H H 1 8.410 0.009 A 58 LYS HA H 1 4.416 0.01 A 58 LYS HBx H 1 1.801 0.013 A 58 LYS HBy H 1 1.815 0.014 A 58 LYS HDy H 1 1.685 0.001 A 58 LYS HDx H 1 1.684 0.002 A 58 LYS HE2 H 1 2.981 0.008 A 58 LYS HE3 H 1 2.981 0.008 A 58 LYS HGx H 1 1.455 0.013 A 58 LYS HGy H 1 1.473 0.015 A 58 LYS CA C 13 59.447 0.062 A 58 LYS CB C 13 32.901 0.096 A 58 LYS CD C 13 29.723 0.105 A 58 LYS CE C 13 42.148 . A 58 LYS CG C 13 24.723 0.065 A 58 LYS N N 15 116.251 0.016 A 59 ARG H H 1 7.337 0.003 A 59 ARG HA H 1 4.231 0.004 A 59 ARG HB2 H 1 2.023 0.003 A 59 ARG HB3 H 1 2.023 0.003 A 59 ARG HDx H 1 3.292 0.006 A 59 ARG HDy H 1 3.292 0.006 A 59 ARG HGx H 1 1.671 0.007 A 59 ARG HGy H 1 1.808 0.004 A 59 ARG CA C 13 58.316 0.049 A 59 ARG CB C 13 29.991 0.049 A 59 ARG CD C 13 43.365 0.055 A 59 ARG CG C 13 27.632 0.04 A 59 ARG N N 15 118.465 0.034 A 60 LYS H H 1 8.055 0.01 A 60 LYS HA H 1 4.080 0.004 A 60 LYS HBx H 1 1.950 0.006 A 60 LYS HBy H 1 2.212 0.007 A 60 LYS HD3 H 1 1.769 0.011 A 60 LYS HEx H 1 2.967 0.011 A 60 LYS HEy H 1 3.019 . A 60 LYS HGx H 1 1.581 0.012 A 60 LYS HGy H 1 1.639 0.007 A 60 LYS CA C 13 59.503 0.079 A 60 LYS CB C 13 32.823 0.096 A 60 LYS CD C 13 28.985 . A 60 LYS CE C 13 42.131 . A 60 LYS CG C 13 25.535 0.057 A 60 LYS N N 15 120.242 0.03 A 61 VAL H H 1 8.351 0.007 A 61 VAL HA H 1 3.472 0.006 A 61 VAL HB H 1 2.063 0.008 A 61 VAL HG1% H 1 0.860 0.011 A 61 VAL HG2% H 1 1.148 0.008 A 61 VAL CA C 13 66.757 0.046 A 61 VAL CB C 13 31.023 0.062 A 61 VAL CG1 C 13 21.968 0.049 A 61 VAL CG2 C 13 24.366 0.052 A 61 VAL N N 15 117.274 0.077 A 62 GLY H H 1 7.761 0.006 A 62 GLY HAx H 1 3.521 0.006 A 62 GLY HAy H 1 3.974 0.012 A 62 GLY CA C 13 47.880 0.05 A 62 GLY N N 15 106.804 0.042 A 63 VAL H H 1 7.645 0.005 A 63 VAL HA H 1 3.759 0.003 A 63 VAL HB H 1 2.135 0.003 A 63 VAL HG1% H 1 0.907 0.009 A 63 VAL HG2% H 1 1.100 0.012 A 63 VAL CA C 13 66.298 0.02 A 63 VAL CB C 13 31.525 0.063 A 63 VAL CG1 C 13 21.245 0.08 A 63 VAL CG2 C 13 23.234 0.023 A 63 VAL N N 15 121.481 0.042 A 64 LEU H H 1 7.882 0.011 A 64 LEU HA H 1 3.881 0.007 A 64 LEU HBy H 1 2.283 0.009 A 64 LEU HBx H 1 1.504 0.005 A 64 LEU HD1% H 1 0.894 0.01 A 64 LEU HD2% H 1 0.880 0.011 A 64 LEU HG H 1 1.499 0.004 A 64 LEU CA C 13 58.251 0.105 A 64 LEU CB C 13 41.107 0.024 A 64 LEU CD1 C 13 23.934 0.045 A 64 LEU CD2 C 13 26.082 0.061 A 64 LEU CG C 13 27.118 0.022 A 64 LEU N N 15 120.014 0.013 A 65 LEU H H 1 8.339 0.009 A 65 LEU HA H 1 3.545 0.01 A 65 LEU HBx H 1 1.163 0.011 A 65 LEU HBy H 1 1.859 0.008 A 65 LEU HD1% H 1 0.731 0.013 A 65 LEU HD2% H 1 0.390 0.014 A 65 LEU HG H 1 1.717 0.011 A 65 LEU CA C 13 58.235 0.041 A 65 LEU CB C 13 40.889 0.037 A 65 LEU CD1 C 13 25.926 0.06 A 65 LEU CD2 C 13 22.556 0.061 A 65 LEU CG C 13 26.784 0.038 A 65 LEU N N 15 117.512 0.067 A 66 ASP H H 1 7.772 0.003 A 66 ASP HA H 1 4.037 0.008 A 66 ASP HBx H 1 2.513 0.006 A 66 ASP HBy H 1 2.885 0.004 A 66 ASP CA C 13 57.542 0.024 A 66 ASP CB C 13 39.986 0.031 A 66 ASP N N 15 120.319 0.034 A 67 ILE H H 1 8.169 0.008 A 67 ILE HA H 1 3.458 0.006 A 67 ILE HB H 1 1.833 0.008 A 67 ILE HD1% H 1 0.701 0.013 A 67 ILE HG1y H 1 1.781 0.016 A 67 ILE HG1x H 1 0.908 0.003 A 67 ILE HG2% H 1 0.757 0.011 A 67 ILE CA C 13 65.550 0.052 A 67 ILE CB C 13 38.587 0.031 A 67 ILE CD1 C 13 14.638 0.06 A 67 ILE CG1 C 13 28.982 0.054 A 67 ILE CG2 C 13 17.375 0.054 A 67 ILE N N 15 120.756 0.026 A 68 LEU H H 1 8.401 0.004 A 68 LEU HA H 1 3.969 0.017 A 68 LEU HBy H 1 1.699 0.005 A 68 LEU HBx H 1 1.326 0.008 A 68 LEU HD1% H 1 0.778 0.008 A 68 LEU HD2% H 1 0.919 0.013 A 68 LEU HG H 1 1.863 0.01 A 68 LEU CA C 13 57.244 0.039 A 68 LEU CB C 13 42.552 0.068 A 68 LEU CD1 C 13 27.057 0.061 A 68 LEU CD2 C 13 23.480 0.063 A 68 LEU CG C 13 26.678 0.034 A 68 LEU N N 15 119.756 0.014 A 69 GLN H H 1 7.753 0.005 A 69 GLN HA H 1 2.640 0.017 A 69 GLN HBx H 1 1.324 0.006 A 69 GLN HBy H 1 1.477 0.019 A 69 GLN HE21 H 1 6.885 0.002 A 69 GLN HE22 H 1 6.360 0.008 A 69 GLN HGx H 1 1.095 0.012 A 69 GLN HGy H 1 1.440 0.013 A 69 GLN CA C 13 58.370 0.035 A 69 GLN CB C 13 27.221 0.086 A 69 GLN CG C 13 33.470 0.07 A 69 GLN N N 15 119.778 0.069 A 69 GLN NE2 N 15 109.204 0.042 A 70 ARG H H 1 7.249 0.006 A 70 ARG HA H 1 4.196 0.01 A 70 ARG HBy H 1 1.993 0.028 A 70 ARG HBx H 1 1.897 0.01 A 70 ARG HDx H 1 3.065 0.012 A 70 ARG HDy H 1 3.074 0.015 A 70 ARG HGx H 1 1.521 0.005 A 70 ARG HGy H 1 1.780 0.014 A 70 ARG CA C 13 57.975 0.063 A 70 ARG CB C 13 30.039 0.019 A 70 ARG CD C 13 43.822 0.032 A 70 ARG CG C 13 27.651 0.052 A 70 ARG N N 15 117.534 0.041 A 71 THR H H 1 7.689 0.004 A 71 THR HA H 1 4.550 0.005 A 71 THR HB H 1 4.460 0.009 A 71 THR HG1 H 1 5.172 0.003 A 71 THR HG2% H 1 1.356 0.013 A 71 THR CA C 13 62.252 0.054 A 71 THR CB C 13 69.781 0.091 A 71 THR CG2 C 13 22.409 0.058 A 71 THR N N 15 108.398 0.017 A 72 GLY H H 1 7.845 0.005 A 72 GLY HAy H 1 4.329 0.007 A 72 GLY HAx H 1 4.006 0.007 A 72 GLY CA C 13 46.787 0.07 A 72 GLY N N 15 109.643 0.048 A 73 HIS H H 1 9.484 0.008 A 73 HIS HA H 1 4.463 0.014 A 73 HIS HBx H 1 3.222 0.007 A 73 HIS HBy H 1 3.377 0.007 A 73 HIS HD2 H 1 7.162 0.012 A 73 HIS HE1 H 1 8.004 0.001 A 73 HIS CA C 13 60.918 0.038 A 73 HIS CB C 13 31.125 0.086 A 73 HIS CD2 C 13 119.802 0.155 A 73 HIS CE1 C 13 140.283 0.012 A 73 HIS N N 15 128.618 0.043 A 74 LYS H H 1 8.655 0.005 A 74 LYS HA H 1 4.115 0.003 A 74 LYS HBx H 1 1.884 0.013 A 74 LYS HBy H 1 2.044 0.003 A 74 LYS HD2 H 1 1.819 0.007 A 74 LYS HD3 H 1 1.819 0.007 A 74 LYS HE2 H 1 3.106 0.006 A 74 LYS HE3 H 1 3.106 0.006 A 74 LYS HGx H 1 1.586 0.013 A 74 LYS HGy H 1 1.595 0.015 A 74 LYS CA C 13 59.696 0.048 A 74 LYS CB C 13 32.302 0.09 A 74 LYS CD C 13 29.483 0.088 A 74 LYS CE C 13 42.168 0.116 A 74 LYS CG C 13 25.045 0.106 A 74 LYS N N 15 116.680 0.033 A 75 GLY H H 1 7.354 0.004 A 75 GLY HAx H 1 3.835 0.006 A 75 GLY HAy H 1 4.444 0.022 A 75 GLY CA C 13 47.719 0.052 A 75 GLY N N 15 107.761 0.031 A 76 TYR H H 1 7.730 0.005 A 76 TYR HA H 1 3.424 0.01 A 76 TYR HBx H 1 1.869 0.009 A 76 TYR HBy H 1 2.681 0.007 A 76 TYR HD1 H 1 5.732 0.016 A 76 TYR HD2 H 1 5.732 0.016 A 76 TYR HE1 H 1 6.389 0.011 A 76 TYR HE2 H 1 6.389 0.011 A 76 TYR CA C 13 61.995 0.067 A 76 TYR CB C 13 37.545 0.061 A 76 TYR CD1 C 13 131.811 0.138 A 76 TYR CD2 C 13 131.811 0.138 A 76 TYR CE1 C 13 118.632 0.184 A 76 TYR CE2 C 13 118.632 0.184 A 76 TYR N N 15 124.302 0.03 A 77 VAL H H 1 8.139 0.007 A 77 VAL HA H 1 3.211 0.005 A 77 VAL HB H 1 1.978 0.006 A 77 VAL HG1% H 1 0.913 0.01 A 77 VAL HG2% H 1 0.910 0.007 A 77 VAL CA C 13 66.486 0.05 A 77 VAL CB C 13 32.018 0.073 A 77 VAL CG1 C 13 21.432 0.111 A 77 VAL CG2 C 13 23.106 0.075 A 77 VAL N N 15 117.655 0.057 A 78 ALA H H 1 7.680 0.007 A 78 ALA HA H 1 4.408 0.009 A 78 ALA HB% H 1 1.601 0.006 A 78 ALA CA C 13 54.888 0.043 A 78 ALA CB C 13 20.184 0.014 A 78 ALA N N 15 120.044 0.033 A 79 PHE H H 1 8.609 0.006 A 79 PHE HA H 1 4.356 0.006 A 79 PHE HBy H 1 3.450 0.011 A 79 PHE HBx H 1 3.101 0.008 A 79 PHE HD1 H 1 6.967 0.012 A 79 PHE HD2 H 1 6.967 0.012 A 79 PHE HE1 H 1 7.001 0.017 A 79 PHE HE2 H 1 7.001 0.017 A 79 PHE HZ H 1 6.972 0.015 A 79 PHE CA C 13 60.998 0.019 A 79 PHE CB C 13 39.499 0.051 A 79 PHE CD1 C 13 131.863 0.074 A 79 PHE CD2 C 13 131.863 0.074 A 79 PHE CE1 C 13 130.217 0.167 A 79 PHE CE2 C 13 130.217 0.167 A 79 PHE CZ C 13 128.967 0.089 A 79 PHE N N 15 118.006 0.048 A 80 LEU H H 1 8.450 0.007 A 80 LEU HA H 1 3.532 0.011 A 80 LEU HBx H 1 1.427 0.005 A 80 LEU HBy H 1 1.616 0.008 A 80 LEU HD1% H 1 0.437 0.006 A 80 LEU HD2% H 1 0.499 0.004 A 80 LEU HG H 1 1.249 0.005 A 80 LEU CA C 13 58.745 0.078 A 80 LEU CB C 13 41.031 0.038 A 80 LEU CD1 C 13 24.683 0.052 A 80 LEU CD2 C 13 23.032 0.038 A 80 LEU CG C 13 27.681 0.043 A 80 LEU N N 15 121.882 0.029 A 81 GLU H H 1 8.322 0.006 A 81 GLU HA H 1 3.822 0.005 A 81 GLU HBx H 1 1.782 0.005 A 81 GLU HBy H 1 2.561 0.005 A 81 GLU HGx H 1 2.195 0.003 A 81 GLU HGy H 1 2.564 0.011 A 81 GLU CA C 13 59.138 0.026 A 81 GLU CB C 13 29.784 0.06 A 81 GLU CG C 13 36.791 0.069 A 81 GLU N N 15 118.525 0.05 A 82 SER H H 1 8.293 0.009 A 82 SER HA H 1 3.675 0.012 A 82 SER HBx H 1 3.956 0.009 A 82 SER HBy H 1 4.182 0.01 A 82 SER HG H 1 4.835 . A 82 SER CA C 13 62.467 0.071 A 82 SER CB C 13 62.360 0.133 A 82 SER N N 15 117.239 0.043 A 83 LEU H H 1 7.640 0.004 A 83 LEU HA H 1 4.099 0.007 A 83 LEU HBx H 1 1.202 0.019 A 83 LEU HBy H 1 2.001 0.009 A 83 LEU HD1% H 1 0.421 0.021 A 83 LEU HD2% H 1 0.491 0.016 A 83 LEU HG H 1 1.325 0.008 A 83 LEU CA C 13 57.355 0.04 A 83 LEU CB C 13 41.285 0.047 A 83 LEU CD1 C 13 25.396 0.089 A 83 LEU CD2 C 13 22.203 0.089 A 83 LEU CG C 13 25.501 0.023 A 83 LEU N N 15 122.743 0.029 A 84 GLU H H 1 7.948 0.005 A 84 GLU HA H 1 2.829 0.006 A 84 GLU HBy H 1 1.500 0.004 A 84 GLU HBx H 1 0.599 0.009 A 84 GLU HGy H 1 1.501 0.006 A 84 GLU HGx H 1 1.311 0.007 A 84 GLU CA C 13 60.118 0.063 A 84 GLU CB C 13 28.672 0.028 A 84 GLU CG C 13 35.790 0.074 A 84 GLU N N 15 120.774 0.019 A 85 LEU H H 1 7.044 0.013 A 85 LEU HA H 1 3.639 0.009 A 85 LEU HBx H 1 0.188 0.005 A 85 LEU HBy H 1 0.938 0.008 A 85 LEU HD1% H 1 0.190 0.004 A 85 LEU HD2% H 1 0.405 0.007 A 85 LEU HG H 1 0.949 0.007 A 85 LEU CA C 13 56.854 0.02 A 85 LEU CB C 13 43.280 0.051 A 85 LEU CD1 C 13 24.424 0.046 A 85 LEU CD2 C 13 23.093 0.065 A 85 LEU CG C 13 26.430 0.063 A 85 LEU N N 15 113.352 0.03 A 86 TYR H H 1 7.666 0.007 A 86 TYR HA H 1 4.409 0.02 A 86 TYR HBx H 1 2.588 0.012 A 86 TYR HBy H 1 2.589 0.012 A 86 TYR HD1 H 1 7.184 0.015 A 86 TYR HD2 H 1 7.184 0.015 A 86 TYR HE1 H 1 6.647 0.009 A 86 TYR HE2 H 1 6.647 0.009 A 86 TYR CA C 13 59.611 0.07 A 86 TYR CB C 13 40.147 0.116 A 86 TYR CD1 C 13 133.253 0.112 A 86 TYR CD2 C 13 133.253 0.112 A 86 TYR CE1 C 13 118.180 0.142 A 86 TYR CE2 C 13 118.180 0.142 A 86 TYR N N 15 113.955 0.014 A 87 TYR H H 1 8.998 0.004 A 87 TYR HA H 1 4.944 0.01 A 87 TYR HBx H 1 2.554 0.008 A 87 TYR HBy H 1 3.315 0.004 A 87 TYR HD1 H 1 7.036 0.009 A 87 TYR HD2 H 1 7.036 0.009 A 87 TYR HE1 H 1 6.731 0.012 A 87 TYR HE2 H 1 6.731 0.012 A 87 TYR CA C 13 56.923 0.059 A 87 TYR CB C 13 41.054 0.05 A 87 TYR CD1 C 13 133.373 0.105 A 87 TYR CD2 C 13 133.373 0.105 A 87 TYR CE1 C 13 118.478 0.136 A 87 TYR CE2 C 13 118.478 0.136 A 87 TYR N N 15 118.548 0.028 A 88 PRO HA H 1 4.153 0.009 A 88 PRO HBx H 1 1.972 0.011 A 88 PRO HBy H 1 2.433 0.009 A 88 PRO HDx H 1 3.061 0.007 A 88 PRO HDy H 1 3.549 0.013 A 88 PRO HGx H 1 1.970 0.005 A 88 PRO HGy H 1 1.970 0.005 A 88 PRO CA C 13 65.772 0.036 A 88 PRO CB C 13 31.561 0.058 A 88 PRO CD C 13 50.164 0.033 A 88 PRO CG C 13 27.756 0.05 A 89 GLN H H 1 8.736 0.004 A 89 GLN HA H 1 4.177 0.015 A 89 GLN HBx H 1 2.155 0.007 A 89 GLN HBy H 1 2.233 0.003 A 89 GLN HE21 H 1 6.918 0.001 A 89 GLN HE22 H 1 7.583 0.002 A 89 GLN HGx H 1 2.420 0.008 A 89 GLN HGy H 1 2.546 0.006 A 89 GLN CA C 13 59.096 0.02 A 89 GLN CB C 13 27.826 0.084 A 89 GLN CG C 13 34.213 0.006 A 89 GLN N N 15 117.124 0.116 A 89 GLN NE2 N 15 112.261 0.02 A 90 LEU H H 1 7.712 0.004 A 90 LEU HA H 1 4.129 0.009 A 90 LEU HBy H 1 1.957 0.005 A 90 LEU HBx H 1 1.626 0.012 A 90 LEU HD1% H 1 0.744 . A 90 LEU HD2% H 1 0.733 0.002 A 90 LEU HG H 1 1.650 0.011 A 90 LEU CA C 13 57.071 0.055 A 90 LEU CB C 13 42.007 0.05 A 90 LEU CD1 C 13 24.718 . A 90 LEU CD2 C 13 24.392 0.087 A 90 LEU CG C 13 26.673 0.051 A 90 LEU N N 15 122.211 0.051 A 91 TYR H H 1 8.332 0.003 A 91 TYR HA H 1 3.652 0.012 A 91 TYR HBx H 1 2.528 0.004 A 91 TYR HBy H 1 3.038 0.009 A 91 TYR HD1 H 1 6.878 0.014 A 91 TYR HD2 H 1 6.878 0.014 A 91 TYR HE1 H 1 6.598 0.014 A 91 TYR HE2 H 1 6.598 0.014 A 91 TYR CA C 13 62.053 0.051 A 91 TYR CB C 13 37.741 0.038 A 91 TYR CD1 C 13 132.541 0.057 A 91 TYR CD2 C 13 132.541 0.057 A 91 TYR CE1 C 13 119.197 0.149 A 91 TYR CE2 C 13 119.197 0.149 A 91 TYR N N 15 118.788 0.059 A 92 LYS H H 1 7.813 0.008 A 92 LYS HA H 1 3.566 0.008 A 92 LYS HB2 H 1 1.833 0.006 A 92 LYS HB3 H 1 1.833 0.006 A 92 LYS HD2 H 1 1.670 . A 92 LYS HD3 H 1 1.670 . A 92 LYS HE2 H 1 2.982 0.0 A 92 LYS HE3 H 1 2.982 0.0 A 92 LYS HGx H 1 1.390 0.004 A 92 LYS HGy H 1 1.665 0.004 A 92 LYS CA C 13 59.609 0.075 A 92 LYS CB C 13 32.328 0.048 A 92 LYS CD C 13 29.193 0.169 A 92 LYS CE C 13 41.917 . A 92 LYS CG C 13 25.367 0.079 A 92 LYS N N 15 118.689 0.044 A 93 LYS H H 1 7.274 0.011 A 93 LYS HA H 1 3.983 0.01 A 93 LYS HBx H 1 1.836 0.012 A 93 LYS HBy H 1 1.895 0.019 A 93 LYS HDy H 1 1.700 0.018 A 93 LYS HDx H 1 1.673 0.007 A 93 LYS HEx H 1 3.027 0.012 A 93 LYS HEy H 1 3.057 0.012 A 93 LYS HGx H 1 1.358 0.004 A 93 LYS HGy H 1 1.500 0.003 A 93 LYS CA C 13 59.015 0.016 A 93 LYS CB C 13 32.432 0.068 A 93 LYS CD C 13 29.019 . A 93 LYS CE C 13 41.984 . A 93 LYS CG C 13 24.629 0.086 A 93 LYS N N 15 118.516 0.031 A 94 VAL H H 1 7.767 0.006 A 94 VAL HA H 1 3.172 0.004 A 94 VAL HB H 1 1.711 0.008 A 94 VAL HG1% H 1 0.404 0.016 A 94 VAL HG2% H 1 0.492 0.015 A 94 VAL CA C 13 63.613 0.053 A 94 VAL CB C 13 31.229 0.029 A 94 VAL CG1 C 13 20.676 0.064 A 94 VAL CG2 C 13 20.103 0.105 A 94 VAL N N 15 112.153 0.026 A 95 THR H H 1 7.220 0.009 A 95 THR HA H 1 4.196 0.005 A 95 THR HB H 1 3.997 0.01 A 95 THR HG2% H 1 0.659 0.006 A 95 THR CA C 13 61.973 0.091 A 95 THR CB C 13 70.282 0.052 A 95 THR CG2 C 13 21.581 0.053 A 95 THR N N 15 106.712 0.02 A 96 GLY H H 1 7.588 0.012 A 96 GLY HAx H 1 3.927 0.002 A 96 GLY HAy H 1 3.927 0.002 A 96 GLY CA C 13 46.302 0.077 A 96 GLY N N 15 110.941 0.04 A 97 LYS H H 1 7.663 0.011 A 97 LYS HA H 1 4.136 0.005 A 97 LYS HBx H 1 1.548 0.004 A 97 LYS HBy H 1 1.875 0.004 A 97 LYS HDx H 1 1.604 0.001 A 97 LYS HDy H 1 1.658 0.007 A 97 LYS HEy H 1 3.007 0.003 A 97 LYS HEx H 1 2.980 0.015 A 97 LYS HGx H 1 1.320 0.006 A 97 LYS HGy H 1 1.320 0.006 A 97 LYS CA C 13 57.419 0.027 A 97 LYS CB C 13 33.942 0.047 A 97 LYS CD C 13 29.092 0.061 A 97 LYS CE C 13 42.483 . A 97 LYS CG C 13 25.307 0.036 A 97 LYS N N 15 125.928 0.025 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin 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 8 ASP H A 8 ASP HB2 1.0 0.338 3.718 2 1 A 8 ASP H A 8 ASP HB3 1.0 0.338 3.718 3 2 A 91 TYR H A 91 TYR HD% 1.0 0.440 4.840 4 3 A 33 TYR HE% A 82 SER H 1.0 0.406 4.466 5 4 A 86 TYR H A 87 TYR H 1.0 0.305 3.355 6 5 A 35 ARG H A 36 GLN H 1.0 0.330 3.630 7 6 A 35 ARG H A 34 LEU H 1.0 0.333 3.663 8 7 A 89 GLN H A 90 LEU H 1.0 0.381 4.191 9 8 A 74 LYS H A 75 GLY H 1.0 0.350 3.850 10 9 A 79 PHE H A 80 LEU H 1.0 0.338 3.718 11 10 A 20 THR H A 21 LEU H 1.0 0.371 4.081 12 11 A 79 PHE H A 81 GLU H 1.0 0.447 4.917 13 12 A 22 THR H A 23 SER H 1.0 0.331 3.641 14 13 A 67 ILE H A 68 LEU H 1.0 0.334 3.674 15 14 A 61 VAL H A 62 GLY H 1.0 0.343 3.773 16 15 A 80 LEU H A 81 GLU H 1.0 0.324 3.564 17 16 A 61 VAL H A 63 VAL H 1.0 0.462 5.082 18 17 A 63 VAL H A 65 LEU H 1.0 0.493 5.423 19 18 A 65 LEU H A 66 ASP H 1.0 0.338 3.718 20 19 A 65 LEU H A 64 LEU H 1.0 0.343 3.773 21 20 A 91 TYR H A 92 LYS H 1.0 0.340 3.740 22 21 A 82 SER H A 83 LEU H 1.0 0.340 3.740 23 22 A 81 GLU H A 84 GLU H 1.0 0.550 6.050 24 23 A 82 SER H A 84 GLU H 1.0 0.550 6.050 25 24 A 91 TYR H A 84 GLU H 1.0 0.550 6.050 26 25 A 12 SER H A 13 VAL H 1.0 0.411 4.521 27 26 A 67 ILE H A 66 ASP H 1.0 0.340 3.740 28 27 A 28 SER H A 29 ARG H 1.0 0.350 3.850 29 28 A 77 VAL H A 78 ALA H 1.0 0.354 3.894 30 29 A 53 ASN H A 54 LEU H 1.0 0.403 4.433 31 30 A 36 GLN H A 37 CYS H 1.0 0.322 3.542 32 31 A 16 GLY H A 18 ARG H 1.0 0.452 4.972 33 32 A 54 LEU H A 55 VAL H 1.0 0.391 4.301 34 33 A 36 GLN H A 38 LYS H 1.0 0.421 4.631 35 34 A 59 ARG H A 60 LYS H 1.0 0.362 3.982 36 35 A 14 LEU H A 15 GLU H 1.0 0.354 3.894 37 36 A 61 VAL H A 60 LYS H 1.0 0.355 3.905 38 37 A 83 LEU H A 84 GLU H 1.0 0.325 3.575 39 38 A 84 GLU H A 85 LEU H 1.0 0.344 3.784 40 39 A 18 ARG H A 17 PHE H 1.0 0.314 3.454 41 40 A 36 GLN H A 34 LEU H 1.0 0.454 4.994 42 41 A 34 LEU H A 33 TYR H 1.0 0.318 3.498 43 42 A 38 LYS H A 40 LEU H 1.0 0.460 5.060 44 43 A 37 CYS H A 38 LYS H 1.0 0.316 3.476 45 44 A 63 VAL H A 64 LEU H 1.0 0.325 3.575 46 45 A 46 GLU H A 47 GLN H 1.0 0.324 3.564 47 46 A 92 LYS H A 93 LYS H 1.0 0.333 3.663 48 47 A 48 VAL H A 49 LEU H 1.0 0.321 3.531 49 48 A 49 LEU H A 50 SER H 1.0 0.340 3.740 50 49 A 94 VAL H A 95 THR H 1.0 0.319 3.509 51 50 A 41 ASN H A 44 ASP H 1.0 0.455 5.005 52 51 A 62 GLY H A 63 VAL H 1.0 0.311 3.421 53 52 A 68 LEU H A 69 GLN H 1.0 0.343 3.773 54 53 A 44 ASP H A 43 ASP H 1.0 0.335 3.685 55 54 A 69 GLN H A 11 TRP HE1 1.0 0.550 6.050 56 55 A 91 TYR H A 90 LEU H 1.0 0.310 3.410 57 56 A 75 GLY H A 76 TYR H 1.0 0.340 3.740 58 57 A 77 VAL H A 76 TYR H 1.0 0.345 3.795 59 58 A 70 ARG H A 71 THR H 1.0 0.326 3.586 60 59 A 71 THR H A 72 GLY H 1.0 0.316 3.476 61 60 A 79 PHE H A 78 ALA H 1.0 0.334 3.674 62 61 A 47 GLN H A 48 VAL H 1.0 0.296 3.256 63 62 A 55 VAL H A 56 ILE H 1.0 0.342 3.762 64 63 A 94 VAL H A 96 GLY H 1.0 0.409 4.499 65 64 A 13 VAL H A 14 LEU H 1.0 0.339 3.729 66 65 A 23 SER H A 24 VAL H 1.0 0.297 3.267 67 66 A 24 VAL H A 25 ILE H 1.0 0.307 3.377 68 67 A 40 LEU H A 39 VAL H 1.0 0.289 3.179 69 68 A 38 LYS H A 39 VAL H 1.0 0.339 3.729 70 69 A 17 PHE H A 17 PHE HD% 1.0 0.392 4.312 71 70 A 59 ARG H A 58 LYS H 1.0 0.404 4.444 72 71 A 93 LYS H A 94 VAL H 1.0 0.318 3.498 73 72 A 69 GLN H A 70 ARG H 1.0 0.370 4.070 74 73 A 95 THR H A 96 GLY H 1.0 0.312 3.432 75 74 A 86 TYR H A 86 TYR HD% 1.0 0.363 3.993 76 75 A 4 TYR H A 4 TYR HD% 1.0 0.422 4.642 77 76 A 86 TYR H A 85 LEU H 1.0 0.326 3.586 78 77 A 87 TYR H A 87 TYR HD% 1.0 0.384 4.224 79 78 A 33 TYR H A 33 TYR HD% 1.0 0.431 4.741 80 79 A 34 LEU H A 33 TYR HD% 1.0 0.425 4.675 81 80 A 82 SER H A 33 TYR HD% 1.0 0.500 5.500 82 81 A 80 LEU H A 79 PHE HD% 1.0 0.423 4.653 83 82 A 29 ARG H A 30 ILE H 1.0 0.317 3.487 84 83 A 79 PHE H A 79 PHE HD% 1.0 0.439 4.829 85 84 A 30 ILE H A 31 THR H 1.0 0.301 3.311 86 85 A 76 TYR H A 11 TRP HZ2 1.0 0.435 4.785 87 86 A 91 TYR HD% A 84 GLU H 1.0 0.386 4.246 88 87 A 91 TYR HD% A 92 LYS H 1.0 0.402 4.422 89 88 A 26 ASP H A 87 TYR HE% 1.0 0.409 4.499 90 89 A 77 VAL H A 76 TYR HD% 1.0 0.410 4.510 91 90 A 71 THR H A 71 THR HG1 1.0 0.369 4.059 92 91 A 41 ASN H A 40 LEU HA 1.0 0.286 3.146 93 92 A 22 THR H A 22 THR HB 1.0 0.412 4.532 94 93 A 74 LYS H A 71 THR HB 1.0 0.481 5.291 95 94 A 72 GLY H A 71 THR HB 1.0 0.422 4.642 96 95 A 71 THR H A 71 THR HB 1.0 0.392 4.312 97 96 A 76 TYR H A 73 HIS HA 1.0 0.409 4.499 98 97 A 75 GLY H A 71 THR HB 1.0 0.337 3.707 99 98 A 81 GLU H A 78 ALA HA 1.0 0.389 4.279 100 99 A 47 GLN H A 44 ASP HA 1.0 0.398 4.378 101 100 A 40 LEU H A 35 ARG HA 1.0 0.354 3.894 102 101 A 46 GLU H A 43 ASP HA 1.0 0.382 4.202 103 102 A 38 LYS H A 35 ARG HA 1.0 0.396 4.356 104 103 A 55 VAL H A 54 LEU HA 1.0 0.338 3.718 105 104 A 82 SER H A 79 PHE HA 1.0 0.408 4.488 106 105 A 15 GLU H A 12 SER HA 1.0 0.426 4.686 107 106 A 50 SER H A 49 LEU HA 1.0 0.347 3.817 108 107 A 20 THR H A 20 THR HB 1.0 0.346 3.806 109 108 A 21 LEU H A 20 THR HB 1.0 0.338 3.718 110 109 A 31 THR H A 31 THR HB 1.0 0.351 3.861 111 110 A 62 GLY H A 59 ARG HA 1.0 0.403 4.433 112 111 A 35 ARG H A 32 PRO HA 1.0 0.393 4.323 113 112 A 18 ARG H A 15 GLU HA 1.0 0.421 4.631 114 113 A 92 LYS H A 89 GLN HA 1.0 0.469 5.159 115 114 A 14 LEU H A 11 TRP HA 1.0 0.438 4.818 116 115 A 72 GLY H A 70 ARG HA 1.0 0.437 4.807 117 116 A 91 TYR H A 88 PRO HA 1.0 0.385 4.235 118 117 A 93 LYS H A 90 LEU HA 1.0 0.361 3.971 119 118 A 94 VAL H A 90 LEU HA 1.0 0.459 5.049 120 119 A 87 TYR H A 83 LEU HA 1.0 0.344 3.784 121 120 A 77 VAL H A 74 LYS HA 1.0 0.423 4.653 122 121 A 86 TYR H A 83 LEU HA 1.0 0.415 4.565 123 122 A 63 VAL H A 60 LYS HA 1.0 0.382 4.202 124 123 A 31 THR H A 32 PRO HDy 1.0 0.332 3.652 125 124 A 40 LEU H A 38 LYS HA 1.0 0.397 4.367 126 125 A 38 LYS H A 38 LYS HA 1.0 0.273 3.003 127 126 A 35 ARG H A 31 THR HA 1.0 0.431 4.741 128 127 A 69 GLN H A 66 ASP HA 1.0 0.393 4.323 129 128 A 34 LEU H A 31 THR HA 1.0 0.421 4.631 130 129 A 23 SER H A 20 THR HA 1.0 0.372 4.092 131 130 A 30 ILE H A 27 PRO HA 1.0 0.419 4.609 132 131 A 63 VAL H A 62 GLY HAy 1.0 0.355 3.905 133 132 A 71 THR H A 68 LEU HA 1.0 0.415 4.565 134 133 A 95 THR H A 95 THR HB 1.0 0.389 4.279 135 134 A 29 ARG H A 28 SER HB2 1.0 0.372 4.092 136 134 A 29 ARG H A 28 SER HB3 1.0 0.372 4.092 137 135 A 61 VAL H A 22 THR HA 1.0 0.550 6.050 138 136 A 82 SER H A 82 SER HBx 1.0 0.377 4.147 139 137 A 28 SER H A 28 SER HB2 1.0 0.334 3.674 140 137 A 28 SER H A 28 SER HB3 1.0 0.334 3.674 141 138 A 97 LYS H A 96 GLY HAx 1.0 0.335 3.685 142 138 A 96 GLY HAy A 97 LYS H 1.0 0.335 3.685 143 139 A 96 GLY H A 96 GLY HAx 1.0 0.273 3.003 144 139 A 96 GLY H A 96 GLY HAy 1.0 0.273 3.003 145 140 A 24 VAL H A 21 LEU HA 1.0 0.461 5.071 146 141 A 25 ILE H A 21 LEU HA 1.0 0.424 4.664 147 142 A 67 ILE H A 64 LEU HA 1.0 0.413 4.543 148 143 A 60 LYS H A 57 ARG HA 1.0 0.421 4.631 149 144 A 61 VAL H A 57 ARG HA 1.0 0.447 4.917 150 145 A 84 GLU H A 81 GLU HA 1.0 0.391 4.301 151 146 A 43 ASP H A 42 PRO HDx 1.0 0.389 4.279 152 146 A 43 ASP H A 42 PRO HDy 1.0 0.389 4.279 153 147 A 21 LEU H A 18 ARG HA 1.0 0.396 4.356 154 148 A 22 THR H A 18 ARG HA 1.0 0.434 4.774 155 149 A 66 ASP H A 63 VAL HA 1.0 0.382 4.202 156 150 A 83 LEU H A 82 SER HBy 1.0 0.460 5.060 157 151 A 82 SER H A 82 SER HBy 1.0 0.377 4.147 158 152 A 48 VAL H A 45 GLU HA 1.0 0.404 4.444 159 153 A 97 LYS H A 92 LYS HA 1.0 0.406 4.466 160 154 A 96 GLY H A 92 LYS HA 1.0 0.438 4.818 161 155 A 95 THR H A 92 LYS HA 1.0 0.423 4.653 162 156 A 68 LEU H A 65 LEU HA 1.0 0.393 4.323 163 157 A 87 TYR H A 88 PRO HDx 1.0 0.442 4.862 164 158 A 83 LEU H A 80 LEU HA 1.0 0.380 4.180 165 159 A 33 TYR H A 33 TYR HBy 1.0 0.320 3.520 166 160 A 34 LEU H A 33 TYR HBy 1.0 0.420 4.620 167 161 A 64 LEU H A 61 VAL HA 1.0 0.380 4.180 168 162 A 79 PHE H A 79 PHE HBy 1.0 0.318 3.498 169 163 A 70 ARG H A 67 ILE HA 1.0 0.437 4.807 170 164 A 17 PHE H A 17 PHE HBy 1.0 0.394 4.334 171 165 A 74 LYS H A 73 HIS HBy 1.0 0.437 4.807 172 166 A 90 LEU H A 87 TYR HBy 1.0 0.411 4.521 173 167 A 80 LEU H A 77 VAL HA 1.0 0.390 4.290 174 168 A 33 TYR H A 32 PRO HDx 1.0 0.365 4.015 175 169 A 74 LYS H A 73 HIS HBx 1.0 0.437 4.807 176 170 A 31 THR H A 32 PRO HDx 1.0 0.366 4.026 177 171 A 4 TYR H A 4 TYR HBy 1.0 0.404 4.444 178 172 A 80 LEU H A 79 PHE HBx 1.0 0.352 3.872 179 173 A 79 PHE H A 79 PHE HBx 1.0 0.330 3.630 180 174 A 87 TYR H A 88 PRO HDy 1.0 0.381 4.191 181 175 A 26 ASP H A 25 ILE HA 1.0 0.271 2.981 182 176 A 33 TYR H A 33 TYR HBx 1.0 0.320 3.520 183 177 A 29 ARG H A 26 ASP HBx 1.0 0.469 5.159 184 178 A 91 TYR H A 91 TYR HBy 1.0 0.321 3.531 185 179 A 34 LEU H A 33 TYR HBx 1.0 0.420 4.620 186 180 A 92 LYS H A 91 TYR HBy 1.0 0.332 3.652 187 181 A 4 TYR H A 4 TYR HBx 1.0 0.404 4.444 188 182 A 41 ASN HBx A 41 ASN HD22 1.0 0.397 4.367 189 183 A 41 ASN HBx A 41 ASN HD21 1.0 0.397 4.367 190 184 A 41 ASN H A 41 ASN HBy 1.0 0.331 3.641 191 185 A 67 ILE H A 66 ASP HBx 1.0 0.396 4.356 192 186 A 44 ASP H A 41 ASN HBy 1.0 0.345 3.795 193 187 A 44 ASP H A 44 ASP HBx 1.0 0.409 4.499 194 188 A 66 ASP H A 66 ASP HBx 1.0 0.364 4.004 195 189 A 45 GLU H A 44 ASP HBx 1.0 0.373 4.103 196 190 A 17 PHE H A 17 PHE HBx 1.0 0.340 3.740 197 191 A 43 ASP H A 41 ASN HBy 1.0 0.405 4.455 198 192 A 41 ASN HD22 A 41 ASN HBy 1.0 0.404 4.444 199 193 A 41 ASN HD21 A 41 ASN HBy 1.0 0.404 4.444 200 194 A 53 ASN H A 53 ASN HBx 1.0 0.314 3.454 201 194 A 53 ASN H A 53 ASN HBy 1.0 0.314 3.454 202 195 A 53 ASN HD22 A 53 ASN HBx 1.0 0.386 4.246 203 195 A 53 ASN HBy A 53 ASN HD22 1.0 0.386 4.246 204 196 A 53 ASN HD21 A 53 ASN HBx 1.0 0.386 4.246 205 196 A 53 ASN HBy A 53 ASN HD21 1.0 0.386 4.246 206 197 A 51 ASP H A 51 ASP HBx 1.0 0.384 4.224 207 198 A 76 TYR H A 76 TYR HBy 1.0 0.359 3.949 208 199 A 51 ASP H A 51 ASP HBy 1.0 0.384 4.224 209 200 A 11 TRP HE1 A 69 GLN HA 1.0 0.418 4.598 210 201 A 44 ASP H A 43 ASP HBx 1.0 0.441 4.851 211 202 A 44 ASP H A 43 ASP HBy 1.0 0.441 4.851 212 203 A 43 ASP H A 43 ASP HBx 1.0 0.384 4.224 213 204 A 43 ASP H A 43 ASP HBy 1.0 0.384 4.224 214 205 A 86 TYR H A 86 TYR HBx 1.0 0.312 3.432 215 205 A 86 TYR H A 86 TYR HBy 1.0 0.312 3.432 216 206 A 41 ASN H A 44 ASP HBy 1.0 0.437 4.807 217 207 A 83 LEU H A 81 GLU HBx 1.0 0.519 5.709 218 208 A 83 LEU H A 91 TYR HBx 1.0 0.547 6.017 219 209 A 90 LEU H A 87 TYR HBx 1.0 0.411 4.521 220 210 A 87 TYR H A 86 TYR HBx 1.0 0.340 3.740 221 210 A 87 TYR H A 86 TYR HBy 1.0 0.340 3.740 222 211 A 82 SER H A 81 GLU HBx 1.0 0.343 3.773 223 212 A 84 GLU H A 91 TYR HBx 1.0 0.423 4.653 224 213 A 45 GLU H A 44 ASP HBy 1.0 0.373 4.103 225 214 A 67 ILE H A 66 ASP HBy 1.0 0.396 4.356 226 215 A 66 ASP H A 66 ASP HBy 1.0 0.364 4.004 227 216 A 40 LEU H A 39 VAL HB 1.0 0.428 4.708 228 217 A 39 VAL H A 39 VAL HB 1.0 0.387 4.257 229 218 A 36 GLN H A 36 GLN HGy 1.0 0.482 5.302 230 219 A 15 GLU H A 15 GLU HG2 1.0 0.414 4.554 231 219 A 15 GLU H A 15 GLU HG3 1.0 0.414 4.554 232 220 A 37 CYS H A 36 GLN HGy 1.0 0.550 6.050 233 221 A 37 CYS H A 36 GLN HGx 1.0 0.550 6.050 234 222 A 13 VAL H A 13 VAL HB 1.0 0.342 3.762 235 223 A 14 LEU H A 13 VAL HB 1.0 0.372 4.092 236 224 A 46 GLU H A 46 GLU HGx 1.0 0.452 4.972 237 225 A 33 TYR H A 32 PRO HBy 1.0 0.458 5.038 238 226 A 33 TYR H A 34 LEU HG 1.0 0.502 5.522 239 227 A 64 LEU H A 64 LEU HBy 1.0 0.318 3.498 240 228 A 34 LEU H A 34 LEU HG 1.0 0.300 3.300 241 229 A 65 LEU H A 64 LEU HBy 1.0 0.408 4.488 242 230 A 36 GLN H A 36 GLN HBx 1.0 0.348 3.828 243 231 A 36 GLN H A 36 GLN HBy 1.0 0.348 3.828 244 232 A 90 LEU H A 89 GLN HBx 1.0 0.415 4.565 245 233 A 44 ASP H A 42 PRO HGy 1.0 0.522 5.742 246 234 A 44 ASP H A 47 GLN HB2 1.0 0.550 6.050 247 234 A 44 ASP H A 47 GLN HB3 1.0 0.550 6.050 248 235 A 45 GLU H A 45 GLU HBy 1.0 0.321 3.531 249 236 A 46 GLU H A 45 GLU HBy 1.0 0.318 3.498 250 237 A 18 ARG H A 18 ARG HBx 1.0 0.376 4.136 251 238 A 81 GLU H A 81 GLU HGy 1.0 0.395 4.345 252 239 A 55 VAL H A 55 VAL HB 1.0 0.363 3.993 253 240 A 61 VAL H A 60 LYS HBx 1.0 0.356 3.916 254 241 A 47 GLN H A 47 GLN HB2 1.0 0.295 3.245 255 241 A 47 GLN H A 47 GLN HB3 1.0 0.295 3.245 256 242 A 48 VAL H A 47 GLN HB2 1.0 0.325 3.575 257 242 A 48 VAL H A 47 GLN HB3 1.0 0.325 3.575 258 243 A 48 VAL H A 48 VAL HB 1.0 0.331 3.641 259 244 A 49 LEU H A 48 VAL HB 1.0 0.394 4.334 260 245 A 90 LEU H A 89 GLN HBy 1.0 0.415 4.565 261 246 A 15 GLU H A 15 GLU HBy 1.0 0.397 4.367 262 247 A 64 LEU H A 63 VAL HB 1.0 0.338 3.718 263 248 A 63 VAL H A 63 VAL HB 1.0 0.303 3.333 264 249 A 20 THR H A 19 VAL HB 1.0 0.399 4.389 265 250 A 45 GLU H A 45 GLU HGx 1.0 0.492 5.412 266 251 A 45 GLU H A 46 GLU HB2 1.0 0.537 5.907 267 251 A 45 GLU H A 46 GLU HB3 1.0 0.537 5.907 268 252 A 46 GLU H A 46 GLU HB2 1.0 0.282 3.102 269 252 A 46 GLU H A 46 GLU HB3 1.0 0.282 3.102 270 253 A 47 GLN H A 46 GLU HB2 1.0 0.337 3.707 271 253 A 47 GLN H A 46 GLU HB3 1.0 0.337 3.707 272 254 A 22 THR H A 21 LEU HBx 1.0 0.354 3.894 273 255 A 21 LEU H A 21 LEU HG 1.0 0.280 3.080 274 256 A 61 VAL H A 61 VAL HB 1.0 0.323 3.553 275 257 A 62 GLY H A 61 VAL HB 1.0 0.357 3.927 276 258 A 33 TYR H A 32 PRO HGy 1.0 0.415 4.565 277 259 A 34 LEU H A 34 LEU HBx 1.0 0.327 3.597 278 260 A 74 LYS H A 74 LYS HBx 1.0 0.371 4.081 279 261 A 75 GLY H A 74 LYS HBx 1.0 0.382 4.202 280 262 A 60 LYS H A 59 ARG HB2 1.0 0.359 3.949 281 262 A 60 LYS H A 59 ARG HB3 1.0 0.359 3.949 282 263 A 45 GLU H A 45 GLU HGy 1.0 0.441 4.851 283 264 A 59 ARG H A 59 ARG HB2 1.0 0.324 3.564 284 264 A 59 ARG H A 59 ARG HB3 1.0 0.324 3.564 285 265 A 31 THR H A 32 PRO HGy 1.0 0.487 5.357 286 266 A 28 SER H A 27 PRO HBx 1.0 0.414 4.554 287 266 A 28 SER H A 27 PRO HBy 1.0 0.414 4.554 288 267 A 83 LEU H A 83 LEU HBx 1.0 0.334 3.674 289 268 A 84 GLU H A 83 LEU HBx 1.0 0.355 3.905 290 269 A 56 ILE H A 56 ILE HB 1.0 0.335 3.685 291 270 A 78 ALA H A 77 VAL HB 1.0 0.334 3.674 292 271 A 87 TYR H A 83 LEU HBx 1.0 0.550 6.050 293 272 A 87 TYR H A 90 LEU HBx 1.0 0.550 6.050 294 273 A 77 VAL H A 77 VAL HB 1.0 0.309 3.399 295 274 A 14 LEU H A 14 LEU HG 1.0 0.363 3.993 296 275 A 43 ASP H A 42 PRO HGx 1.0 0.390 4.290 297 276 A 30 ILE H A 29 ARG HB2 1.0 0.390 4.290 298 276 A 30 ILE H A 29 ARG HB3 1.0 0.390 4.290 299 277 A 36 GLN H A 35 ARG HBx 1.0 0.406 4.466 300 278 A 36 GLN H A 35 ARG HBy 1.0 0.406 4.466 301 279 A 18 ARG H A 18 ARG HBy 1.0 0.376 4.136 302 280 A 90 LEU H A 90 LEU HBx 1.0 0.320 3.520 303 281 A 91 TYR H A 90 LEU HBx 1.0 0.359 3.949 304 282 A 61 VAL H A 60 LYS HBy 1.0 0.371 4.081 305 283 A 26 ASP H A 29 ARG HB2 1.0 0.489 5.379 306 283 A 26 ASP H A 29 ARG HB3 1.0 0.489 5.379 307 284 A 33 TYR H A 32 PRO HBx 1.0 0.339 3.729 308 285 A 29 ARG H A 29 ARG HB2 1.0 0.293 3.223 309 285 A 29 ARG H A 29 ARG HB3 1.0 0.293 3.223 310 286 A 74 LYS H A 74 LYS HBy 1.0 0.371 4.081 311 287 A 75 GLY H A 74 LYS HBy 1.0 0.382 4.202 312 288 A 97 LYS H A 97 LYS HBx 1.0 0.375 4.125 313 289 A 76 TYR H A 76 TYR HBx 1.0 0.359 3.949 314 290 A 65 LEU H A 65 LEU HBx 1.0 0.321 3.531 315 291 A 66 ASP H A 65 LEU HBx 1.0 0.346 3.806 316 292 A 68 LEU H A 67 ILE HB 1.0 0.301 3.311 317 293 A 68 LEU H A 68 LEU HG 1.0 0.344 3.784 318 294 A 93 LYS H A 92 LYS HB2 1.0 0.332 3.652 319 294 A 93 LYS H A 92 LYS HB3 1.0 0.332 3.652 320 295 A 93 LYS H A 93 LYS HBy 1.0 0.383 4.213 321 296 A 67 ILE H A 67 ILE HB 1.0 0.288 3.168 322 297 A 92 LYS H A 92 LYS HB2 1.0 0.282 3.102 323 297 A 92 LYS H A 92 LYS HB3 1.0 0.282 3.102 324 298 A 58 LYS H A 58 LYS HBx 1.0 0.384 4.224 325 299 A 58 LYS H A 58 LYS HBy 1.0 0.384 4.224 326 300 A 24 VAL H A 24 VAL HB 1.0 0.305 3.355 327 301 A 25 ILE H A 24 VAL HB 1.0 0.341 3.751 328 302 A 23 SER H A 24 VAL HB 1.0 0.506 5.566 329 303 A 48 VAL H A 49 LEU HG 1.0 0.529 5.819 330 304 A 81 GLU H A 81 GLU HBy 1.0 0.366 4.026 331 305 A 46 GLU H A 45 GLU HBx 1.0 0.387 4.257 332 306 A 82 SER H A 81 GLU HBy 1.0 0.386 4.246 333 307 A 49 LEU H A 49 LEU HG 1.0 0.332 3.652 334 308 A 50 SER H A 49 LEU HBx 1.0 0.471 5.181 335 309 A 36 GLN H A 35 ARG HGx 1.0 0.530 5.830 336 310 A 66 ASP H A 65 LEU HG 1.0 0.485 5.335 337 311 A 35 ARG H A 35 ARG HGx 1.0 0.375 4.125 338 312 A 55 VAL H A 54 LEU HBx 1.0 0.452 4.972 339 313 A 65 LEU H A 65 LEU HG 1.0 0.311 3.421 340 314 A 94 VAL H A 94 VAL HB 1.0 0.321 3.531 341 315 A 95 THR H A 94 VAL HB 1.0 0.371 4.081 342 316 A 68 LEU H A 68 LEU HBy 1.0 0.324 3.564 343 317 A 69 GLN H A 68 LEU HBy 1.0 0.384 4.224 344 318 A 25 ILE H A 25 ILE HB 1.0 0.295 3.245 345 319 A 92 LYS H A 92 LYS HD2 1.0 0.469 5.159 346 319 A 92 LYS H A 92 LYS HD3 1.0 0.469 5.159 347 320 A 24 VAL H A 25 ILE HB 1.0 0.474 5.214 348 321 A 58 LYS H A 58 LYS HDy 1.0 0.550 6.050 349 322 A 58 LYS H A 58 LYS HDx 1.0 0.550 6.050 350 323 A 90 LEU H A 90 LEU HBy 1.0 0.322 3.542 351 324 A 80 LEU H A 80 LEU HBx 1.0 0.306 3.366 352 325 A 81 GLU H A 80 LEU HBx 1.0 0.331 3.641 353 326 A 55 VAL H A 54 LEU HBy 1.0 0.452 4.972 354 327 A 77 VAL H A 78 ALA HB% 1.0 0.460 5.060 355 328 A 78 ALA H A 78 ALA HB% 1.0 0.300 3.300 356 329 A 79 PHE H A 78 ALA HB% 1.0 0.337 3.707 357 330 A 74 LYS H A 74 LYS HGx 1.0 0.521 5.731 358 331 A 74 LYS H A 74 LYS HGy 1.0 0.521 5.731 359 332 A 75 GLY H A 74 LYS HGx 1.0 0.550 6.050 360 333 A 75 GLY H A 74 LYS HGy 1.0 0.550 6.050 361 334 A 18 ARG H A 18 ARG HGy 1.0 0.532 5.852 362 335 A 18 ARG H A 18 ARG HGx 1.0 0.532 5.852 363 336 A 56 ILE H A 56 ILE HG1y 1.0 0.374 4.114 364 337 A 97 LYS H A 97 LYS HBy 1.0 0.375 4.125 365 338 A 50 SER H A 49 LEU HBy 1.0 0.433 4.763 366 339 A 30 ILE H A 30 ILE HG1y 1.0 0.380 4.180 367 340 A 70 ARG H A 69 GLN HBx 1.0 0.457 5.027 368 341 A 31 THR H A 30 ILE HG1y 1.0 0.401 4.411 369 342 A 84 GLU H A 84 GLU HBx 1.0 0.316 3.476 370 343 A 35 ARG H A 35 ARG HGy 1.0 0.375 4.125 371 344 A 64 LEU H A 64 LEU HBx 1.0 0.311 3.421 372 345 A 68 LEU H A 64 LEU HG 1.0 0.441 4.851 373 346 A 65 LEU H A 64 LEU HBx 1.0 0.369 4.059 374 347 A 85 LEU H A 84 GLU HBx 1.0 0.332 3.652 375 348 A 69 GLN H A 69 GLN HBx 1.0 0.388 4.268 376 349 A 41 ASN H A 40 LEU HBy 1.0 0.425 4.675 377 350 A 80 LEU H A 80 LEU HBy 1.0 0.363 3.993 378 351 A 81 GLU H A 80 LEU HBy 1.0 0.400 4.400 379 352 A 40 LEU H A 40 LEU HBy 1.0 0.350 3.850 380 353 A 92 LYS H A 92 LYS HGy 1.0 0.410 4.510 381 354 A 21 LEU H A 21 LEU HBy 1.0 0.373 4.103 382 355 A 25 ILE H A 25 ILE HG1x 1.0 0.314 3.454 383 356 A 71 THR H A 71 THR HG2% 1.0 0.329 3.619 384 357 A 83 LEU H A 83 LEU HG 1.0 0.316 3.476 385 358 A 68 LEU H A 68 LEU HBx 1.0 0.365 4.015 386 359 A 70 ARG H A 69 GLN HBy 1.0 0.457 5.027 387 360 A 97 LYS H A 97 LYS HGx 1.0 0.348 3.828 388 360 A 97 LYS H A 97 LYS HGy 1.0 0.348 3.828 389 361 A 84 GLU H A 83 LEU HG 1.0 0.484 5.324 390 362 A 56 ILE H A 56 ILE HG1x 1.0 0.374 4.114 391 363 A 69 GLN H A 68 LEU HBx 1.0 0.415 4.565 392 364 A 35 ARG H A 34 LEU HBy 1.0 0.404 4.444 393 365 A 34 LEU H A 34 LEU HBy 1.0 0.378 4.158 394 366 A 62 GLY H A 22 THR HG2% 1.0 0.386 4.246 395 367 A 22 THR H A 22 THR HG2% 1.0 0.316 3.476 396 368 A 80 LEU H A 80 LEU HG 1.0 0.353 3.883 397 369 A 23 SER H A 20 THR HG2% 1.0 0.455 5.005 398 370 A 21 LEU H A 20 THR HG2% 1.0 0.390 4.290 399 371 A 30 ILE H A 30 ILE HG1x 1.0 0.344 3.784 400 372 A 29 ARG H A 30 ILE HG1x 1.0 0.429 4.719 401 373 A 31 THR H A 31 THR HG2% 1.0 0.330 3.630 402 374 A 83 LEU H A 83 LEU HBy 1.0 0.370 4.070 403 375 A 84 GLU H A 83 LEU HBy 1.0 0.398 4.378 404 376 A 91 TYR H A 83 LEU HBy 1.0 0.410 4.510 405 377 A 66 ASP H A 65 LEU HBy 1.0 0.385 4.235 406 378 A 14 LEU H A 13 VAL HG1% 1.0 0.426 4.686 407 379 A 14 LEU H A 13 VAL HG2% 1.0 0.466 5.126 408 380 A 61 VAL H A 61 VAL HG2% 1.0 0.303 3.333 409 381 A 62 GLY H A 61 VAL HG2% 1.0 0.440 4.840 410 382 A 62 GLY H A 63 VAL HG2% 1.0 0.507 5.577 411 383 A 63 VAL H A 63 VAL HG2% 1.0 0.303 3.333 412 384 A 64 LEU H A 63 VAL HG2% 1.0 0.403 4.433 413 385 A 35 ARG H A 34 LEU HD1% 1.0 0.467 5.137 414 386 A 35 ARG H A 40 LEU HBx 1.0 0.490 5.390 415 387 A 56 ILE H A 56 ILE HG2% 1.0 0.408 4.488 416 388 A 20 THR H A 19 VAL HG2% 1.0 0.434 4.774 417 389 A 21 LEU H A 21 LEU HD1% 1.0 0.375 4.125 418 390 A 59 ARG H A 56 ILE HG2% 1.0 0.393 4.323 419 391 A 40 LEU H A 40 LEU HBx 1.0 0.346 3.806 420 392 A 31 THR H A 34 LEU HD1% 1.0 0.516 5.676 421 393 A 29 ARG H A 30 ILE HG2% 1.0 0.451 4.961 422 394 A 34 LEU H A 34 LEU HD2% 1.0 0.383 4.213 423 395 A 82 SER H A 34 LEU HD2% 1.0 0.430 4.730 424 396 A 25 ILE H A 24 VAL HG2% 1.0 0.406 4.466 425 397 A 24 VAL H A 24 VAL HG2% 1.0 0.322 3.542 426 398 A 56 ILE H A 56 ILE HD1% 1.0 0.436 4.796 427 399 A 14 LEU H A 14 LEU HD2% 1.0 0.404 4.444 428 400 A 48 VAL H A 48 VAL HG2% 1.0 0.309 3.399 429 401 A 20 THR H A 19 VAL HG1% 1.0 0.434 4.774 430 402 A 21 LEU H A 21 LEU HD2% 1.0 0.401 4.411 431 403 A 86 TYR H A 85 LEU HBy 1.0 0.332 3.652 432 404 A 85 LEU H A 85 LEU HBy 1.0 0.284 3.124 433 405 A 63 VAL H A 63 VAL HG1% 1.0 0.396 4.356 434 406 A 67 ILE H A 67 ILE HG1x 1.0 0.397 4.367 435 407 A 66 ASP H A 63 VAL HG1% 1.0 0.504 5.544 436 408 A 78 ALA H A 77 VAL HG1% 1.0 0.349 3.839 437 409 A 68 LEU H A 64 LEU HD1% 1.0 0.463 5.093 438 410 A 68 LEU H A 68 LEU HD2% 1.0 0.505 5.555 439 411 A 81 GLU H A 77 VAL HG1% 1.0 0.427 4.697 440 412 A 77 VAL H A 77 VAL HG2% 1.0 0.293 3.223 441 413 A 64 LEU H A 63 VAL HG1% 1.0 0.371 4.081 442 414 A 31 THR H A 48 VAL HG1% 1.0 0.550 6.050 443 415 A 31 THR H A 49 LEU HD1% 1.0 0.550 6.050 444 416 A 49 LEU H A 48 VAL HG1% 1.0 0.426 4.686 445 417 A 49 LEU H A 49 LEU HD1% 1.0 0.471 5.181 446 418 A 34 LEU H A 39 VAL HG2% 1.0 0.475 5.225 447 419 A 40 LEU H A 39 VAL HG2% 1.0 0.337 3.707 448 420 A 24 VAL H A 24 VAL HG1% 1.0 0.382 4.202 449 421 A 25 ILE H A 24 VAL HG1% 1.0 0.364 4.004 450 422 A 38 LYS H A 39 VAL HG1% 1.0 0.475 5.225 451 423 A 38 LYS H A 39 VAL HG2% 1.0 0.494 5.434 452 424 A 39 VAL H A 39 VAL HG2% 1.0 0.296 3.256 453 425 A 75 GLY H A 39 VAL HG1% 1.0 0.481 5.291 454 426 A 62 GLY H A 61 VAL HG1% 1.0 0.412 4.532 455 427 A 22 THR H A 61 VAL HG1% 1.0 0.440 4.840 456 428 A 41 ASN H A 40 LEU HD1% 1.0 0.425 4.675 457 429 A 41 ASN H A 40 LEU HD2% 1.0 0.464 5.104 458 430 A 35 ARG H A 39 VAL HG2% 1.0 0.452 4.972 459 431 A 35 ARG H A 40 LEU HD2% 1.0 0.476 5.236 460 432 A 45 GLU H A 40 LEU HD2% 1.0 0.402 4.422 461 433 A 68 LEU H A 67 ILE HG2% 1.0 0.366 4.026 462 434 A 79 PHE H A 68 LEU HD1% 1.0 0.479 5.269 463 435 A 67 ILE H A 67 ILE HG2% 1.0 0.394 4.334 464 436 A 90 LEU H A 90 LEU HD1% 1.0 0.444 4.884 465 437 A 90 LEU H A 90 LEU HD2% 1.0 0.485 5.335 466 438 A 21 LEU H A 25 ILE HD1% 1.0 0.550 6.050 467 439 A 21 LEU H A 90 LEU HD1% 1.0 0.550 6.050 468 440 A 21 LEU H A 90 LEU HD2% 1.0 0.550 6.050 469 441 A 24 VAL H A 90 LEU HD2% 1.0 0.453 4.983 470 442 A 65 LEU H A 65 LEU HD1% 1.0 0.388 4.268 471 443 A 25 ILE H A 25 ILE HD1% 1.0 0.409 4.499 472 444 A 25 ILE H A 90 LEU HD2% 1.0 0.426 4.686 473 445 A 96 GLY H A 95 THR HG2% 1.0 0.438 4.818 474 446 A 95 THR H A 95 THR HG2% 1.0 0.328 3.608 475 447 A 84 GLU H A 84 GLU HBy 1.0 0.311 3.421 476 448 A 85 LEU H A 84 GLU HBy 1.0 0.425 4.675 477 449 A 26 ASP H A 25 ILE HG2% 1.0 0.340 3.740 478 450 A 25 ILE H A 25 ILE HG2% 1.0 0.396 4.356 479 451 A 83 LEU H A 83 LEU HD2% 1.0 0.382 4.202 480 452 A 80 LEU H A 80 LEU HD2% 1.0 0.398 4.378 481 453 A 91 TYR H A 83 LEU HD2% 1.0 0.440 4.840 482 454 A 91 TYR H A 94 VAL HG2% 1.0 0.474 5.214 483 455 A 87 TYR H A 83 LEU HD2% 1.0 0.442 4.862 484 456 A 94 VAL H A 94 VAL HG2% 1.0 0.295 3.245 485 457 A 95 THR H A 94 VAL HG2% 1.0 0.378 4.158 486 458 A 80 LEU H A 80 LEU HD1% 1.0 0.392 4.312 487 459 A 91 TYR H A 83 LEU HD1% 1.0 0.424 4.664 488 460 A 94 VAL H A 83 LEU HD1% 1.0 0.434 4.774 489 461 A 95 THR H A 94 VAL HG1% 1.0 0.398 4.378 490 462 A 25 ILE H A 25 ILE HG1y 1.0 0.370 4.070 491 463 A 86 TYR H A 85 LEU HBx 1.0 0.383 4.213 492 464 A 85 LEU H A 85 LEU HBx 1.0 0.332 3.652 493 465 A 30 ILE H A 32 PRO HDx 1.0 0.520 5.720 494 466 A 30 ILE H A 25 ILE HG2% 1.0 0.550 6.050 495 467 A 30 ILE H A 48 VAL HG1% 1.0 0.550 6.050 496 468 A 41 ASN H A 40 LEU HBx 1.0 0.470 5.170 497 469 A 76 TYR H A 76 TYR HD% 1.0 0.455 5.005 498 470 A 76 TYR H A 77 VAL HG2% 1.0 0.440 4.840 499 471 A 26 ASP H A 24 VAL HG1% 1.0 0.550 6.050 500 472 A 26 ASP H A 61 VAL HG1% 1.0 0.550 6.050 501 473 A 26 ASP H A 25 ILE HB 1.0 0.442 4.862 502 474 A 26 ASP H A 25 ILE HG1y 1.0 0.442 4.862 503 475 A 83 LEU H A 30 ILE HG2% 1.0 0.550 6.050 504 476 A 83 LEU H A 30 ILE HD1% 1.0 0.550 6.050 505 477 A 18 ARG H A 21 LEU HD1% 1.0 0.439 4.829 506 478 A 18 ARG H A 17 PHE HBx 1.0 0.447 4.917 507 479 A 5 GLU H A 4 TYR HBx 1.0 0.465 5.115 508 480 A 5 GLU H A 5 GLU HGy 1.0 0.519 5.709 509 481 A 5 GLU H A 5 GLU HGx 1.0 0.519 5.709 510 482 A 5 GLU H A 4 TYR HBy 1.0 0.465 5.115 511 483 A 80 LEU H A 77 VAL HG1% 1.0 0.502 5.522 512 484 A 83 LEU H A 85 LEU H 1.0 0.444 4.884 513 485 A 84 GLU H A 91 TYR HE% 1.0 0.462 5.082 514 486 A 81 GLU H A 78 ALA H 1.0 0.510 5.610 515 487 A 79 PHE H A 77 VAL H 1.0 0.451 4.961 516 488 A 29 ARG H A 31 THR H 1.0 0.447 4.917 517 489 A 53 ASN H A 55 VAL H 1.0 0.546 6.006 518 490 A 25 ILE H A 26 ASP H 1.0 0.464 5.104 519 491 A 11 TRP HE1 A 72 GLY H 1.0 0.457 5.027 520 492 A 40 LEU H A 41 ASN H 1.0 0.473 5.203 521 493 A 41 ASN H A 45 GLU H 1.0 0.539 5.929 522 494 A 75 GLY H A 77 VAL H 1.0 0.477 5.247 523 495 A 54 LEU H A 54 LEU HG 1.0 0.525 5.775 524 496 A 84 GLU H A 80 LEU HA 1.0 0.460 5.060 525 497 A 84 GLU H A 91 TYR HBy 1.0 0.452 4.972 526 498 A 84 GLU H A 85 LEU HBy 1.0 0.540 5.940 527 499 A 35 ARG H A 34 LEU HG 1.0 0.440 4.840 528 500 A 35 ARG H A 35 ARG HDy 1.0 0.550 6.050 529 501 A 47 GLN H A 48 VAL HG2% 1.0 0.448 4.928 530 502 A 20 THR H A 20 THR HG2% 1.0 0.444 4.884 531 503 A 91 TYR H A 90 LEU HD2% 1.0 0.456 5.016 532 504 A 77 VAL H A 73 HIS HA 1.0 0.537 5.907 533 505 A 77 VAL H A 75 GLY HAy 1.0 0.550 6.050 534 506 A 17 PHE H A 14 LEU HA 1.0 0.456 5.016 535 507 A 17 PHE H A 15 GLU HA 1.0 0.456 5.016 536 508 A 49 LEU H A 46 GLU HA 1.0 0.447 4.917 537 509 A 50 SER H A 48 VAL HG1% 1.0 0.490 5.390 538 510 A 50 SER H A 49 LEU HD2% 1.0 0.466 5.126 539 511 A 38 LYS H A 38 LYS HDx 1.0 0.472 5.192 540 512 A 94 VAL H A 91 TYR HA 1.0 0.445 4.895 541 513 A 72 GLY H A 69 GLN HA 1.0 0.461 5.071 542 514 A 72 GLY H A 71 THR HG2% 1.0 0.440 4.840 543 515 A 39 VAL H A 38 LYS HBy 1.0 0.474 5.214 544 516 A 71 THR H A 69 GLN HA 1.0 0.454 4.994 545 517 A 11 TRP H A 11 TRP HE3 1.0 0.472 5.192 546 518 A 10 CYS H A 9 GLU HB2 1.0 0.447 4.917 547 518 A 9 GLU HB3 A 10 CYS H 1.0 0.447 4.917 548 519 A 10 CYS H A 9 GLU HGx 1.0 0.487 5.357 549 519 A 10 CYS H A 9 GLU HGy 1.0 0.487 5.357 550 520 A 4 TYR H A 3 ASP HBy 1.0 0.478 5.258 551 521 A 4 TYR H A 3 ASP HBx 1.0 0.478 5.258 552 522 A 4 TYR H A 5 GLU H 1.0 0.400 4.400 553 523 A 12 SER H A 11 TRP H 1.0 0.504 5.544 554 524 A 14 LEU H A 12 SER HA 1.0 0.494 5.434 555 525 A 16 GLY H A 17 PHE H 1.0 0.469 5.159 556 526 A 17 PHE H A 21 LEU HD1% 1.0 0.471 5.181 557 527 A 17 PHE H A 14 LEU HD2% 1.0 0.524 5.764 558 528 A 21 LEU H A 18 ARG H 1.0 0.481 5.291 559 529 A 18 ARG H A 17 PHE HBy 1.0 0.488 5.368 560 530 A 21 LEU HD1% A 19 VAL H 1.0 0.550 6.050 561 531 A 21 LEU H A 17 PHE HBx 1.0 0.500 5.500 562 532 A 22 THR H A 19 VAL HA 1.0 0.451 4.961 563 533 A 22 THR H A 21 LEU HD1% 1.0 0.494 5.434 564 534 A 22 THR H A 25 ILE HD1% 1.0 0.480 5.280 565 535 A 22 THR H A 65 LEU HD1% 1.0 0.528 5.808 566 536 A 22 THR H A 18 ARG HGy 1.0 0.550 6.050 567 537 A 22 THR H A 18 ARG HGx 1.0 0.550 6.050 568 538 A 22 THR H A 24 VAL H 1.0 0.474 5.214 569 539 A 24 VAL H A 25 ILE HG1x 1.0 0.464 5.104 570 540 A 24 VAL H A 20 THR HG2% 1.0 0.474 5.214 571 541 A 23 SER H A 25 ILE H 1.0 0.438 4.818 572 542 A 25 ILE H A 21 LEU HBx 1.0 0.472 5.192 573 543 A 26 ASP H A 27 PRO HA 1.0 0.547 6.017 574 544 A 26 ASP H A 25 ILE HD1% 1.0 0.545 5.995 575 545 A 26 ASP H A 90 LEU HD2% 1.0 0.550 6.050 576 546 A 26 ASP H A 30 ILE HG2% 1.0 0.468 5.148 577 547 A 26 ASP H A 25 ILE HG1x 1.0 0.514 5.654 578 548 A 28 SER H A 48 VAL HG1% 1.0 0.486 5.346 579 549 A 29 ARG H A 26 ASP HBy 1.0 0.469 5.159 580 550 A 30 ILE H A 28 SER HA 1.0 0.466 5.126 581 551 A 31 THR H A 30 ILE HB 1.0 0.453 4.983 582 552 A 31 THR H A 29 ARG HB2 1.0 0.469 5.159 583 552 A 31 THR H A 29 ARG HB3 1.0 0.469 5.159 584 553 A 35 ARG H A 33 TYR H 1.0 0.494 5.434 585 554 A 36 GLN H A 33 TYR H 1.0 0.497 5.467 586 555 A 33 TYR H A 86 TYR HE% 1.0 0.550 6.050 587 556 A 34 LEU H A 30 ILE HG1y 1.0 0.453 4.983 588 557 A 35 ARG H A 35 ARG HDx 1.0 0.550 6.050 589 558 A 36 GLN H A 34 LEU HA 1.0 0.481 5.291 590 559 A 36 GLN H A 35 ARG HGy 1.0 0.530 5.830 591 560 A 38 LYS H A 38 LYS HDy 1.0 0.472 5.192 592 561 A 39 VAL H A 34 LEU HA 1.0 0.485 5.335 593 562 A 39 VAL H A 38 LYS HBx 1.0 0.474 5.214 594 563 A 39 VAL H A 78 ALA HB% 1.0 0.550 6.050 595 564 A 39 VAL H A 40 LEU HBy 1.0 0.484 5.324 596 565 A 39 VAL H A 40 LEU HBx 1.0 0.448 4.928 597 566 A 40 LEU H A 34 LEU HA 1.0 0.515 5.665 598 567 A 40 LEU H A 34 LEU HBx 1.0 0.471 5.181 599 568 A 40 LEU H A 34 LEU HBy 1.0 0.464 5.104 600 569 A 41 ASN H A 42 PRO HDx 1.0 0.487 5.357 601 569 A 41 ASN H A 42 PRO HDy 1.0 0.487 5.357 602 570 A 44 ASP H A 42 PRO HA 1.0 0.457 5.027 603 571 A 44 ASP H A 42 PRO HDx 1.0 0.488 5.368 604 571 A 44 ASP H A 42 PRO HDy 1.0 0.488 5.368 605 572 A 44 ASP H A 45 GLU HBx 1.0 0.528 5.808 606 573 A 44 ASP H A 40 LEU HD2% 1.0 0.497 5.467 607 574 A 44 ASP H A 67 ILE HD1% 1.0 0.501 5.511 608 575 A 45 GLU H A 40 LEU HG 1.0 0.444 4.884 609 576 A 46 GLU H A 43 ASP H 1.0 0.529 5.819 610 577 A 46 GLU H A 49 LEU HD1% 1.0 0.550 6.050 611 578 A 47 GLN H A 45 GLU HBx 1.0 0.550 6.050 612 579 A 47 GLN H A 49 LEU HG 1.0 0.550 6.050 613 580 A 49 LEU H A 45 GLU HA 1.0 0.496 5.456 614 581 A 48 VAL H A 50 SER H 1.0 0.480 5.280 615 582 A 50 SER H A 47 GLN HA 1.0 0.452 4.972 616 583 A 51 ASP H A 49 LEU HBx 1.0 0.550 6.050 617 584 A 53 ASN H A 51 ASP HA 1.0 0.463 5.093 618 585 A 53 ASN H A 54 LEU HG 1.0 0.477 5.247 619 586 A 89 GLN H A 89 GLN HGx 1.0 0.545 5.995 620 587 A 89 GLN H A 89 GLN HGy 1.0 0.545 5.995 621 588 A 53 ASN H A 53 ASN HD21 1.0 0.500 5.500 622 589 A 53 ASN H A 53 ASN HD22 1.0 0.500 5.500 623 590 A 55 VAL H A 56 ILE HB 1.0 0.519 5.709 624 591 A 44 ASP H A 46 GLU HB2 1.0 0.534 5.874 625 591 A 44 ASP H A 46 GLU HB3 1.0 0.534 5.874 626 592 A 47 GLN H A 45 GLU HA 1.0 0.485 5.335 627 593 A 63 VAL HG1% A 47 GLN HE22 1.0 0.521 5.731 628 594 A 63 VAL HG1% A 47 GLN HE21 1.0 0.521 5.731 629 595 A 48 VAL H A 49 LEU HBy 1.0 0.550 6.050 630 596 A 55 VAL H A 53 ASN HBx 1.0 0.492 5.412 631 596 A 55 VAL H A 53 ASN HBy 1.0 0.492 5.412 632 597 A 56 ILE H A 53 ASN HBx 1.0 0.533 5.863 633 597 A 56 ILE H A 53 ASN HBy 1.0 0.533 5.863 634 598 A 59 ARG H A 60 LYS HBx 1.0 0.474 5.214 635 599 A 60 LYS H A 61 VAL HG2% 1.0 0.474 5.214 636 600 A 60 LYS H A 56 ILE HG2% 1.0 0.456 5.016 637 601 A 15 GLU H A 14 LEU HD1% 1.0 0.500 5.500 638 602 A 15 GLU H A 14 LEU HD2% 1.0 0.528 5.808 639 603 A 61 VAL H A 22 THR HG2% 1.0 0.495 5.445 640 604 A 65 LEU H A 22 THR HG2% 1.0 0.550 6.050 641 605 A 62 GLY H A 60 LYS H 1.0 0.468 5.148 642 606 A 62 GLY H A 22 THR HB 1.0 0.481 5.291 643 607 A 62 GLY H A 58 LYS HA 1.0 0.502 5.522 644 608 A 62 GLY H A 64 LEU HBx 1.0 0.550 6.050 645 609 A 62 GLY H A 65 LEU HD1% 1.0 0.481 5.291 646 610 A 63 VAL H A 64 LEU HBy 1.0 0.497 5.467 647 611 A 63 VAL H A 64 LEU HBx 1.0 0.495 5.445 648 612 A 63 VAL H A 65 LEU HBx 1.0 0.515 5.665 649 613 A 64 LEU H A 60 LYS HA 1.0 0.485 5.335 650 614 A 67 ILE H A 63 VAL HA 1.0 0.533 5.863 651 615 A 67 ILE H A 64 LEU HG 1.0 0.513 5.643 652 616 A 66 ASP H A 64 LEU HA 1.0 0.473 5.203 653 617 A 66 ASP H A 65 LEU HD1% 1.0 0.468 5.148 654 618 A 69 GLN H A 65 LEU HA 1.0 0.539 5.929 655 619 A 69 GLN H A 69 GLN HGy 1.0 0.454 4.994 656 620 A 69 GLN H A 67 ILE HG2% 1.0 0.529 5.819 657 621 A 69 GLN H A 68 LEU HD1% 1.0 0.550 6.050 658 622 A 69 GLN H A 68 LEU HD2% 1.0 0.471 5.181 659 623 A 70 ARG H A 68 LEU HA 1.0 0.492 5.412 660 624 A 70 ARG H A 70 ARG HDx 1.0 0.550 6.050 661 625 A 70 ARG H A 70 ARG HDy 1.0 0.550 6.050 662 626 A 70 ARG H A 67 ILE HG2% 1.0 0.478 5.258 663 627 A 70 ARG H A 68 LEU HD2% 1.0 0.540 5.940 664 628 A 70 ARG H A 72 GLY H 1.0 0.504 5.544 665 629 A 72 GLY H A 7 ASP HBy 1.0 0.550 6.050 666 630 A 72 GLY H A 7 ASP HBx 1.0 0.550 6.050 667 631 A 74 LYS H A 73 HIS HD2 1.0 0.534 5.874 668 632 A 74 LYS H A 77 VAL HG2% 1.0 0.506 5.566 669 633 A 75 GLY H A 71 THR HG2% 1.0 0.471 5.181 670 634 A 74 LYS H A 76 TYR H 1.0 0.492 5.412 671 635 A 76 TYR H A 74 LYS HA 1.0 0.490 5.390 672 636 A 76 TYR H A 77 VAL HA 1.0 0.550 6.050 673 637 A 78 ALA H A 75 GLY HAx 1.0 0.450 4.950 674 638 A 80 LEU H A 77 VAL H 1.0 0.490 5.390 675 639 A 80 LEU H A 76 TYR HE% 1.0 0.550 6.050 676 640 A 80 LEU H A 81 GLU HBx 1.0 0.518 5.698 677 641 A 81 GLU H A 77 VAL HA 1.0 0.454 4.994 678 642 A 82 SER H A 78 ALA HB% 1.0 0.439 4.829 679 643 A 82 SER H A 83 LEU HD1% 1.0 0.550 6.050 680 644 A 82 SER H A 85 LEU HD1% 1.0 0.520 5.720 681 645 A 33 TYR HE% A 83 LEU H 1.0 0.519 5.709 682 646 A 91 TYR HD% A 83 LEU H 1.0 0.550 6.050 683 647 A 83 LEU H A 79 PHE HA 1.0 0.480 5.280 684 648 A 83 LEU H A 82 SER HBx 1.0 0.460 5.060 685 649 A 83 LEU H A 81 GLU HA 1.0 0.481 5.291 686 650 A 83 LEU H A 84 GLU HBx 1.0 0.526 5.786 687 651 A 83 LEU H A 80 LEU HBx 1.0 0.550 6.050 688 652 A 84 GLU H A 91 TYR HA 1.0 0.482 5.302 689 653 A 84 GLU H A 83 LEU HD1% 1.0 0.447 4.917 690 654 A 87 TYR H A 85 LEU H 1.0 0.446 4.906 691 655 A 85 LEU H A 83 LEU HA 1.0 0.466 5.126 692 656 A 85 LEU H A 81 GLU HA 1.0 0.453 4.983 693 657 A 85 LEU H A 88 PRO HDy 1.0 0.546 6.006 694 658 A 85 LEU H A 86 TYR HBx 1.0 0.462 5.082 695 658 A 85 LEU H A 86 TYR HBy 1.0 0.462 5.082 696 659 A 86 TYR H A 84 GLU H 1.0 0.493 5.423 697 660 A 86 TYR H A 88 PRO HDy 1.0 0.465 5.115 698 661 A 86 TYR H A 84 GLU HBx 1.0 0.550 6.050 699 662 A 86 TYR H A 85 LEU HD2% 1.0 0.476 5.236 700 663 A 87 TYR H A 84 GLU HA 1.0 0.504 5.544 701 664 A 87 TYR H A 83 LEU HBy 1.0 0.477 5.247 702 665 A 87 TYR H A 85 LEU HBy 1.0 0.495 5.445 703 666 A 87 TYR H A 85 LEU HD2% 1.0 0.493 5.423 704 667 A 90 LEU H A 91 TYR HA 1.0 0.536 5.896 705 668 A 90 LEU H A 91 TYR HBy 1.0 0.474 5.214 706 669 A 90 LEU H A 83 LEU HD2% 1.0 0.506 5.566 707 670 A 91 TYR H A 84 GLU HA 1.0 0.466 5.126 708 671 A 92 LYS H A 94 VAL HG2% 1.0 0.499 5.489 709 672 A 91 TYR H A 93 LYS H 1.0 0.472 5.192 710 673 A 93 LYS H A 91 TYR HBy 1.0 0.505 5.555 711 674 A 93 LYS H A 90 LEU HD1% 1.0 0.496 5.456 712 675 A 93 LYS H A 83 LEU HD1% 1.0 0.550 6.050 713 676 A 94 VAL H A 93 LYS HGx 1.0 0.516 5.676 714 677 A 94 VAL H A 93 LYS HGy 1.0 0.516 5.676 715 678 A 94 VAL H A 21 LEU HD2% 1.0 0.479 5.269 716 679 A 94 VAL H A 95 THR HG2% 1.0 0.444 4.884 717 680 A 94 VAL H A 90 LEU HD1% 1.0 0.480 5.280 718 681 A 95 THR H A 92 LYS HB2 1.0 0.550 6.050 719 681 A 95 THR H A 92 LYS HB3 1.0 0.550 6.050 720 682 A 96 GLY H A 92 LYS HB2 1.0 0.465 5.115 721 682 A 96 GLY H A 92 LYS HB3 1.0 0.465 5.115 722 683 A 96 GLY H A 94 VAL HA 1.0 0.480 5.280 723 684 A 96 GLY H A 94 VAL HG2% 1.0 0.540 5.940 724 685 A 96 GLY H A 94 VAL HG1% 1.0 0.550 6.050 725 686 A 28 SER H A 49 LEU HD2% 1.0 0.445 4.895 726 687 A 11 TRP HE3 A 76 TYR HA 1.0 0.538 5.918 727 688 A 33 TYR HD% A 30 ILE HG2% 1.0 0.370 4.070 728 689 A 83 LEU HD1% A 79 PHE HZ 1.0 0.435 4.785 729 690 A 94 VAL HG1% A 79 PHE HZ 1.0 0.480 5.280 730 691 A 14 LEU HD1% A 11 TRP HZ3 1.0 0.409 4.499 731 692 A 87 TYR HE% A 86 TYR HBx 1.0 0.403 4.433 732 692 A 87 TYR HE% A 86 TYR HBy 1.0 0.403 4.433 733 693 A 30 ILE HG2% A 86 TYR HE% 1.0 0.400 4.400 734 694 A 86 TYR HE% A 85 LEU HD1% 1.0 0.373 4.103 735 695 A 87 TYR HE% A 24 VAL HG1% 1.0 0.397 4.367 736 696 A 87 TYR HE% A 83 LEU HD2% 1.0 0.495 5.445 737 697 A 71 THR HG2% A 39 VAL HA 1.0 0.412 4.532 738 698 A 79 PHE HD% A 79 PHE HA 1.0 0.354 3.894 739 699 A 79 PHE HA A 34 LEU HD2% 1.0 0.353 3.883 740 700 A 12 SER HA A 15 GLU HG2 1.0 0.431 4.741 741 700 A 12 SER HA A 15 GLU HG3 1.0 0.431 4.741 742 701 A 31 THR H A 28 SER HA 1.0 0.425 4.675 743 702 A 11 TRP HA A 11 TRP HE3 1.0 0.372 4.092 744 703 A 49 LEU HD2% A 28 SER HA 1.0 0.358 3.938 745 704 A 33 TYR HD% A 82 SER HA 1.0 0.422 4.642 746 705 A 33 TYR HD% A 33 TYR HA 1.0 0.387 4.257 747 706 A 88 PRO HA A 91 TYR HBy 1.0 0.370 4.070 748 707 A 88 PRO HA A 84 GLU HA 1.0 0.398 4.378 749 708 A 45 GLU H A 42 PRO HA 1.0 0.424 4.664 750 709 A 31 THR HA A 34 LEU HG 1.0 0.465 5.115 751 710 A 20 THR HA A 24 VAL HG2% 1.0 0.488 5.368 752 711 A 63 VAL HA A 66 ASP HBx 1.0 0.427 4.697 753 712 A 63 VAL HA A 66 ASP HBy 1.0 0.427 4.697 754 713 A 63 VAL HA A 63 VAL HG1% 1.0 0.347 3.817 755 714 A 19 VAL HA A 19 VAL HG2% 1.0 0.341 3.751 756 715 A 61 VAL HA A 64 LEU HBy 1.0 0.366 4.026 757 716 A 61 VAL HA A 27 PRO HGy 1.0 0.487 5.357 758 717 A 61 VAL HA A 64 LEU HBx 1.0 0.404 4.444 759 718 A 77 VAL HA A 80 LEU HBx 1.0 0.416 4.576 760 719 A 25 ILE HA A 25 ILE HG1x 1.0 0.396 4.356 761 720 A 94 VAL HG1% A 94 VAL HA 1.0 0.327 3.597 762 721 A 25 ILE HA A 25 ILE HG1y 1.0 0.376 4.136 763 722 A 91 TYR HD% A 84 GLU HA 1.0 0.434 4.774 764 723 A 91 TYR HBy A 84 GLU HA 1.0 0.386 4.246 765 724 A 91 TYR HBx A 84 GLU HA 1.0 0.381 4.191 766 725 A 84 GLU HA A 84 GLU HGx 1.0 0.414 4.554 767 726 A 84 GLU HA A 84 GLU HGy 1.0 0.414 4.554 768 727 A 95 THR H A 91 TYR HA 1.0 0.505 5.555 769 728 A 91 TYR HD% A 91 TYR HA 1.0 0.406 4.466 770 729 A 18 ARG HA A 18 ARG HGy 1.0 0.414 4.554 771 730 A 18 ARG HA A 21 LEU HBy 1.0 0.419 4.609 772 731 A 18 ARG HA A 21 LEU HD1% 1.0 0.371 4.081 773 732 A 18 ARG HA A 65 LEU HD1% 1.0 0.438 4.818 774 733 A 94 VAL HG2% A 91 TYR HA 1.0 0.353 3.883 775 734 A 24 VAL HG2% A 23 SER HBx 1.0 0.427 4.697 776 735 A 24 VAL HG2% A 23 SER HBy 1.0 0.427 4.697 777 736 A 24 VAL HG1% A 24 VAL HA 1.0 0.352 3.872 778 737 A 13 VAL HG1% A 13 VAL HA 1.0 0.341 3.751 779 738 A 28 SER HA A 28 SER HB2 1.0 0.296 3.256 780 738 A 28 SER HB3 A 28 SER HA 1.0 0.296 3.256 781 739 A 86 TYR HD% A 86 TYR HA 1.0 0.365 4.015 782 740 A 35 ARG HA A 35 ARG HDx 1.0 0.425 4.675 783 741 A 35 ARG HA A 35 ARG HGx 1.0 0.412 4.532 784 742 A 35 ARG HA A 40 LEU HBy 1.0 0.379 4.169 785 743 A 35 ARG HA A 40 LEU HBx 1.0 0.436 4.796 786 744 A 4 TYR HD% A 4 TYR HA 1.0 0.435 4.785 787 745 A 17 PHE HD% A 17 PHE HA 1.0 0.380 4.180 788 746 A 87 TYR HD% A 87 TYR HA 1.0 0.389 4.279 789 747 A 20 THR HB A 17 PHE HA 1.0 0.442 4.862 790 748 A 88 PRO HDx A 87 TYR HA 1.0 0.346 3.806 791 749 A 88 PRO HDy A 87 TYR HA 1.0 0.382 4.202 792 750 A 43 ASP HA A 46 GLU HB2 1.0 0.346 3.806 793 750 A 43 ASP HA A 46 GLU HB3 1.0 0.346 3.806 794 751 A 82 SER H A 78 ALA HA 1.0 0.509 5.599 795 752 A 33 TYR HE% A 78 ALA HA 1.0 0.418 4.598 796 753 A 78 ALA HA A 81 GLU HBx 1.0 0.377 4.147 797 754 A 78 ALA HA A 77 VAL HG1% 1.0 0.409 4.499 798 755 A 17 PHE HD% A 14 LEU HA 1.0 0.426 4.686 799 756 A 17 PHE HBy A 14 LEU HA 1.0 0.528 5.808 800 757 A 51 ASP HA A 52 PRO HDy 1.0 0.346 3.806 801 758 A 51 ASP HA A 52 PRO HDx 1.0 0.346 3.806 802 759 A 41 ASN HA A 42 PRO HDx 1.0 0.309 3.399 803 759 A 42 PRO HDy A 41 ASN HA 1.0 0.309 3.399 804 760 A 6 ASN HA A 7 ASP HA 1.0 0.462 5.082 805 761 A 40 LEU HA A 40 LEU HD1% 1.0 0.334 3.674 806 762 A 68 LEU HA A 68 LEU HG 1.0 0.384 4.224 807 763 A 34 LEU HA A 37 CYS HBy 1.0 0.451 4.961 808 764 A 21 LEU HA A 21 LEU HG 1.0 0.420 4.620 809 765 A 64 LEU HA A 67 ILE HB 1.0 0.370 4.070 810 766 A 64 LEU HA A 64 LEU HG 1.0 0.395 4.345 811 767 A 21 LEU HA A 25 ILE HG1x 1.0 0.403 4.433 812 768 A 81 GLU HA A 81 GLU HGy 1.0 0.414 4.554 813 769 A 81 GLU HA A 84 GLU HBx 1.0 0.382 4.202 814 770 A 57 ARG HA A 57 ARG HGy 1.0 0.419 4.609 815 771 A 45 GLU HA A 48 VAL HB 1.0 0.353 3.883 816 772 A 80 LEU HA A 83 LEU HBx 1.0 0.406 4.466 817 773 A 65 LEU HA A 68 LEU HD1% 1.0 0.377 4.147 818 774 A 85 LEU HA A 85 LEU HG 1.0 0.359 3.949 819 775 A 85 LEU HD2% A 85 LEU HA 1.0 0.332 3.652 820 776 A 26 ASP HA A 27 PRO HDx 1.0 0.349 3.839 821 777 A 26 ASP HA A 27 PRO HDy 1.0 0.349 3.839 822 778 A 39 VAL HG1% A 75 GLY HAy 1.0 0.467 5.137 823 779 A 78 ALA HB% A 75 GLY HAx 1.0 0.410 4.510 824 780 A 39 VAL HG1% A 75 GLY HAx 1.0 0.357 3.927 825 781 A 41 ASN HBx A 42 PRO HDx 1.0 0.331 3.641 826 781 A 42 PRO HDy A 41 ASN HBx 1.0 0.331 3.641 827 782 A 65 LEU HBx A 62 GLY HAx 1.0 0.433 4.763 828 783 A 86 TYR HE% A 33 TYR HBy 1.0 0.458 5.038 829 784 A 17 PHE HBy A 21 LEU HG 1.0 0.415 4.565 830 785 A 83 LEU HA A 87 TYR HBy 1.0 0.464 5.104 831 786 A 90 LEU HBx A 87 TYR HBy 1.0 0.429 4.719 832 787 A 90 LEU HBy A 87 TYR HBy 1.0 0.423 4.653 833 788 A 83 LEU HD2% A 87 TYR HBy 1.0 0.432 4.752 834 789 A 41 ASN HBy A 42 PRO HDx 1.0 0.359 3.949 835 789 A 42 PRO HDy A 41 ASN HBy 1.0 0.359 3.949 836 790 A 44 ASP H A 44 ASP HBy 1.0 0.409 4.499 837 791 A 81 GLU H A 81 GLU HGx 1.0 0.395 4.345 838 792 A 81 GLU HA A 81 GLU HGx 1.0 0.414 4.554 839 793 A 91 TYR H A 91 TYR HBx 1.0 0.392 4.312 840 794 A 92 LYS H A 91 TYR HBx 1.0 0.423 4.653 841 795 A 88 PRO HA A 91 TYR HBx 1.0 0.409 4.499 842 796 A 34 LEU HA A 37 CYS HBx 1.0 0.451 4.961 843 797 A 78 ALA HB% A 37 CYS HBy 1.0 0.417 4.587 844 798 A 39 VAL HG1% A 37 CYS HBx 1.0 0.425 4.675 845 799 A 40 LEU HBx A 40 LEU HD1% 1.0 0.358 3.938 846 800 A 65 LEU HBy A 65 LEU HD1% 1.0 0.386 4.246 847 801 A 34 LEU HBy A 34 LEU HD2% 1.0 0.362 3.982 848 802 A 34 LEU HBy A 39 VAL HG2% 1.0 0.360 3.960 849 803 A 11 TRP HZ2 A 68 LEU HBx 1.0 0.432 4.752 850 804 A 21 LEU HBy A 21 LEU HD2% 1.0 0.350 3.850 851 805 A 80 LEU HBy A 91 TYR HE% 1.0 0.397 4.367 852 806 A 65 LEU HBx A 64 LEU HBx 1.0 0.529 5.819 853 807 A 67 ILE HB A 64 LEU HBx 1.0 0.550 6.050 854 808 A 90 LEU HBy A 83 LEU HD2% 1.0 0.444 4.884 855 809 A 80 LEU HBx A 80 LEU HD1% 1.0 0.380 4.180 856 810 A 49 LEU HBy A 49 LEU HD1% 1.0 0.346 3.806 857 811 A 49 LEU H A 49 LEU HBx 1.0 0.406 4.466 858 812 A 65 LEU HA A 68 LEU HBy 1.0 0.431 4.741 859 813 A 54 LEU HD1% A 54 LEU HBx 1.0 0.361 3.971 860 814 A 14 LEU HD1% A 14 LEU HBy 1.0 0.403 4.433 861 815 A 90 LEU HBx A 87 TYR HBx 1.0 0.429 4.719 862 816 A 91 TYR HD% A 83 LEU HBx 1.0 0.417 4.587 863 817 A 91 TYR HBx A 83 LEU HBx 1.0 0.425 4.675 864 818 A 34 LEU HBx A 40 LEU HBx 1.0 0.408 4.488 865 819 A 34 LEU HBx A 39 VAL HG2% 1.0 0.416 4.576 866 820 A 34 LEU HBx A 40 LEU HD1% 1.0 0.435 4.785 867 821 A 21 LEU H A 21 LEU HBx 1.0 0.376 4.136 868 822 A 25 ILE HB A 61 VAL HG2% 1.0 0.397 4.367 869 823 A 16 GLY H A 15 GLU HG2 1.0 0.467 5.137 870 823 A 16 GLY H A 15 GLU HG3 1.0 0.467 5.137 871 824 A 46 GLU H A 46 GLU HGy 1.0 0.452 4.972 872 825 A 45 GLU HGx A 49 LEU HG 1.0 0.420 4.620 873 826 A 45 GLU HGx A 49 LEU HD1% 1.0 0.384 4.224 874 827 A 45 GLU HA A 45 GLU HGy 1.0 0.419 4.609 875 828 A 45 GLU HGy A 49 LEU HD1% 1.0 0.382 4.202 876 829 A 81 GLU H A 81 GLU HBx 1.0 0.407 4.477 877 830 A 56 ILE H A 55 VAL HB 1.0 0.415 4.565 878 831 A 93 LYS H A 93 LYS HBx 1.0 0.383 4.213 879 832 A 61 VAL HG2% A 27 PRO HBx 1.0 0.367 4.037 880 832 A 27 PRO HBy A 61 VAL HG2% 1.0 0.367 4.037 881 833 A 94 VAL HB A 14 LEU HD2% 1.0 0.431 4.741 882 834 A 94 VAL HB A 21 LEU HD2% 1.0 0.464 5.104 883 835 A 29 ARG HB3 A 26 ASP HBx 1.0 0.456 5.016 884 835 A 26 ASP HBx A 29 ARG HB2 1.0 0.456 5.016 885 836 A 60 LYS HA A 63 VAL HB 1.0 0.406 4.466 886 837 A 15 GLU H A 15 GLU HBx 1.0 0.397 4.367 887 838 A 44 ASP HA A 47 GLN HB2 1.0 0.419 4.609 888 838 A 44 ASP HA A 47 GLN HB3 1.0 0.419 4.609 889 839 A 48 VAL HG2% A 47 GLN HB2 1.0 0.364 4.004 890 839 A 47 GLN HB3 A 48 VAL HG2% 1.0 0.364 4.004 891 840 A 35 ARG H A 35 ARG HBx 1.0 0.406 4.466 892 841 A 35 ARG H A 35 ARG HBy 1.0 0.406 4.466 893 842 A 35 ARG HA A 35 ARG HGy 1.0 0.412 4.532 894 843 A 94 VAL HG2% A 90 LEU HG 1.0 0.420 4.620 895 844 A 67 ILE H A 67 ILE HG1y 1.0 0.397 4.367 896 845 A 67 ILE HA A 67 ILE HG1y 1.0 0.398 4.378 897 846 A 45 GLU HBx A 40 LEU HD1% 1.0 0.550 6.050 898 847 A 45 GLU HBx A 49 LEU HD1% 1.0 0.550 6.050 899 848 A 45 GLU H A 45 GLU HBx 1.0 0.373 4.103 900 849 A 92 LYS H A 92 LYS HGx 1.0 0.410 4.510 901 850 A 69 GLN H A 69 GLN HBy 1.0 0.388 4.268 902 851 A 25 ILE HG1x A 90 LEU HD2% 1.0 0.407 4.477 903 852 A 30 ILE H A 34 LEU HD1% 1.0 0.458 5.038 904 853 A 33 TYR HD% A 34 LEU HD1% 1.0 0.485 5.335 905 854 A 27 PRO HA A 34 LEU HD1% 1.0 0.395 4.345 906 855 A 31 THR HA A 34 LEU HD1% 1.0 0.416 4.576 907 856 A 34 LEU HBx A 34 LEU HD1% 1.0 0.342 3.762 908 857 A 30 ILE HG1y A 34 LEU HD1% 1.0 0.335 3.685 909 858 A 67 ILE HA A 67 ILE HG1x 1.0 0.398 4.378 910 859 A 83 LEU HD2% A 25 ILE HG1y 1.0 0.388 4.268 911 860 A 21 LEU HD1% A 79 PHE HE% 1.0 0.417 4.587 912 861 A 21 LEU HD1% A 79 PHE HZ 1.0 0.432 4.752 913 862 A 17 PHE HBy A 21 LEU HD1% 1.0 0.410 4.510 914 863 A 17 PHE HBx A 21 LEU HD1% 1.0 0.413 4.543 915 864 A 21 LEU HBx A 21 LEU HD1% 1.0 0.337 3.707 916 865 A 21 LEU HBy A 21 LEU HD1% 1.0 0.324 3.564 917 866 A 21 LEU HD1% A 25 ILE HD1% 1.0 0.344 3.784 918 867 A 21 LEU HD1% A 94 VAL HG1% 1.0 0.348 3.828 919 868 A 79 PHE HD% A 68 LEU HD1% 1.0 0.373 4.103 920 869 A 79 PHE HBy A 68 LEU HD1% 1.0 0.363 3.993 921 870 A 68 LEU HBx A 68 LEU HD1% 1.0 0.340 3.740 922 871 A 68 LEU HD1% A 65 LEU HD2% 1.0 0.370 4.070 923 872 A 61 VAL HG2% A 58 LYS HA 1.0 0.390 4.290 924 873 A 61 VAL HA A 61 VAL HG2% 1.0 0.341 3.751 925 874 A 61 VAL HG2% A 25 ILE HG2% 1.0 0.338 3.718 926 875 A 60 LYS HA A 63 VAL HG2% 1.0 0.379 4.169 927 876 A 63 VAL HA A 63 VAL HG2% 1.0 0.322 3.542 928 877 A 54 LEU HD1% A 52 PRO HA 1.0 0.436 4.796 929 878 A 63 VAL H A 22 THR HB 1.0 0.550 6.050 930 879 A 11 TRP HZ2 A 76 TYR HA 1.0 0.448 4.928 931 880 A 27 PRO HA A 25 ILE HG2% 1.0 0.381 4.191 932 881 A 27 PRO HA A 30 ILE HG1y 1.0 0.414 4.554 933 882 A 22 THR HA A 61 VAL HB 1.0 0.323 3.553 934 883 A 33 TYR H A 32 PRO HDy 1.0 0.525 5.775 935 884 A 61 VAL H A 62 GLY HAy 1.0 0.550 6.050 936 885 A 65 LEU H A 62 GLY HAy 1.0 0.550 6.050 937 886 A 65 LEU H A 62 GLY HAx 1.0 0.474 5.214 938 887 A 11 TRP HZ2 A 75 GLY HAy 1.0 0.471 5.181 939 888 A 11 TRP HZ2 A 75 GLY HAx 1.0 0.526 5.786 940 889 A 42 PRO HGx A 41 ASN HA 1.0 0.457 5.027 941 890 A 51 ASP HA A 52 PRO HGy 1.0 0.466 5.126 942 891 A 62 GLY HAy A 65 LEU HBx 1.0 0.489 5.379 943 892 A 39 VAL HB A 75 GLY HAx 1.0 0.475 5.225 944 893 A 87 TYR HE% A 25 ILE HA 1.0 0.456 5.016 945 894 A 76 TYR HD% A 76 TYR HA 1.0 0.461 5.071 946 895 A 36 GLN H A 33 TYR HA 1.0 0.436 4.796 947 896 A 91 TYR HD% A 92 LYS HA 1.0 0.475 5.225 948 897 A 92 LYS H A 88 PRO HA 1.0 0.467 5.137 949 898 A 96 GLY H A 95 THR HB 1.0 0.504 5.544 950 899 A 77 VAL HA A 80 LEU HD1% 1.0 0.460 5.060 951 900 A 94 VAL HA A 93 LYS HA 1.0 0.508 5.588 952 901 A 90 LEU HBx A 87 TYR HA 1.0 0.543 5.973 953 902 A 84 GLU HBx A 85 LEU HA 1.0 0.466 5.126 954 903 A 17 PHE HBx A 14 LEU HA 1.0 0.451 4.961 955 904 A 40 LEU HA A 40 LEU HG 1.0 0.367 4.037 956 905 A 32 PRO HDy A 31 THR HG2% 1.0 0.482 5.302 957 906 A 39 VAL HB A 75 GLY HAy 1.0 0.517 5.687 958 907 A 35 ARG H A 40 LEU HBy 1.0 0.537 5.907 959 908 A 45 GLU HGy A 40 LEU HBy 1.0 0.550 6.050 960 909 A 57 ARG HDy A 57 ARG HBx 1.0 0.378 4.158 961 909 A 57 ARG HBx A 57 ARG HDx 1.0 0.378 4.158 962 910 A 26 ASP HA A 57 ARG HDx 1.0 0.388 4.268 963 910 A 26 ASP HA A 57 ARG HDy 1.0 0.388 4.268 964 911 A 85 LEU HBx A 85 LEU HD2% 1.0 0.373 4.103 965 912 A 85 LEU HBy A 86 TYR HBx 1.0 0.550 6.050 966 912 A 86 TYR HBy A 85 LEU HBy 1.0 0.550 6.050 967 913 A 59 ARG HB2 A 59 ARG HDx 1.0 0.343 3.773 968 913 A 59 ARG HB3 A 59 ARG HDx 1.0 0.343 3.773 969 913 A 59 ARG HDy A 59 ARG HB2 1.0 0.343 3.773 970 913 A 59 ARG HB3 A 59 ARG HDy 1.0 0.343 3.773 971 914 A 74 LYS HE3 A 74 LYS HGx 1.0 0.415 4.565 972 914 A 74 LYS HGx A 74 LYS HE2 1.0 0.415 4.565 973 915 A 74 LYS HE3 A 74 LYS HGy 1.0 0.415 4.565 974 915 A 74 LYS HE2 A 74 LYS HGy 1.0 0.415 4.565 975 916 A 40 LEU HD2% A 44 ASP HBx 1.0 0.391 4.301 976 917 A 79 PHE HBy A 11 TRP HH2 1.0 0.455 5.005 977 918 A 91 TYR HD% A 83 LEU HBy 1.0 0.455 5.005 978 919 A 80 LEU HBx A 91 TYR HE% 1.0 0.466 5.126 979 920 A 35 ARG H A 34 LEU HBx 1.0 0.459 5.049 980 921 A 33 TYR HD% A 30 ILE HB 1.0 0.456 5.016 981 922 A 91 TYR HBy A 83 LEU HBy 1.0 0.450 4.950 982 923 A 91 TYR HBy A 83 LEU HBx 1.0 0.463 5.093 983 924 A 30 ILE HB A 33 TYR HBy 1.0 0.481 5.291 984 925 A 11 TRP HZ2 A 68 LEU HBy 1.0 0.528 5.808 985 926 A 68 LEU HBy A 11 TRP HH2 1.0 0.509 5.599 986 927 A 68 LEU HBx A 11 TRP HH2 1.0 0.448 4.928 987 928 A 69 GLN H A 69 GLN HGx 1.0 0.454 4.994 988 929 A 49 LEU HBx A 28 SER HB2 1.0 0.456 5.016 989 929 A 28 SER HB3 A 49 LEU HBx 1.0 0.456 5.016 990 930 A 20 THR HB A 17 PHE HBy 1.0 0.446 4.906 991 931 A 17 PHE HBy A 94 VAL HG1% 1.0 0.548 6.028 992 932 A 17 PHE HBx A 94 VAL HG1% 1.0 0.475 5.225 993 933 A 15 GLU HA A 15 GLU HG2 1.0 0.361 3.971 994 933 A 15 GLU HA A 15 GLU HG3 1.0 0.361 3.971 995 934 A 9 GLU HA A 9 GLU HGx 1.0 0.385 4.235 996 934 A 9 GLU HGy A 9 GLU HA 1.0 0.385 4.235 997 935 A 60 LYS H A 60 LYS HBx 1.0 0.411 4.521 998 936 A 33 TYR HE% A 81 GLU HBy 1.0 0.439 4.829 999 937 A 33 TYR HE% A 81 GLU HBx 1.0 0.414 4.554 1000 938 A 84 GLU H A 84 GLU HGy 1.0 0.489 5.379 1001 939 A 84 GLU H A 84 GLU HGx 1.0 0.489 5.379 1002 940 A 91 TYR HD% A 80 LEU HBy 1.0 0.468 5.148 1003 941 A 41 ASN H A 44 ASP HBx 1.0 0.437 4.807 1004 942 A 77 VAL HA A 80 LEU HBy 1.0 0.497 5.467 1005 943 A 65 LEU HA A 68 LEU HBx 1.0 0.478 5.258 1006 944 A 34 LEU HBy A 37 CYS HBx 1.0 0.550 6.050 1007 945 A 34 LEU HBy A 37 CYS HBy 1.0 0.550 6.050 1008 946 A 41 ASN HBx A 42 PRO HGy 1.0 0.444 4.884 1009 947 A 37 CYS H A 36 GLN HBx 1.0 0.448 4.928 1010 948 A 37 CYS H A 36 GLN HBy 1.0 0.448 4.928 1011 949 A 14 LEU HG A 76 TYR HE% 1.0 0.460 5.060 1012 950 A 68 LEU HD1% A 11 TRP HH2 1.0 0.419 4.609 1013 951 A 34 LEU H A 34 LEU HD1% 1.0 0.438 4.818 1014 952 A 25 ILE H A 61 VAL HG2% 1.0 0.477 5.247 1015 953 A 90 LEU H A 90 LEU HG 1.0 0.475 5.225 1016 954 A 93 LYS H A 94 VAL HB 1.0 0.501 5.511 1017 955 A 22 THR HA A 25 ILE HB 1.0 0.480 5.280 1018 956 A 45 GLU HBy A 40 LEU HD2% 1.0 0.425 4.675 1019 957 A 30 ILE HG1x A 25 ILE HG2% 1.0 0.432 4.752 1020 958 A 83 LEU HD1% A 79 PHE HE% 1.0 0.389 4.279 1021 959 A 83 LEU H A 83 LEU HD1% 1.0 0.437 4.807 1022 960 A 83 LEU HD1% A 91 TYR HA 1.0 0.399 4.389 1023 961 A 83 LEU HD1% A 90 LEU HG 1.0 0.384 4.224 1024 962 A 49 LEU HBx A 49 LEU HD1% 1.0 0.327 3.597 1025 963 A 90 LEU HBy A 90 LEU HD1% 1.0 0.323 3.553 1026 964 A 64 LEU HA A 64 LEU HD1% 1.0 0.305 3.355 1027 965 A 90 LEU HA A 90 LEU HD1% 1.0 0.326 3.586 1028 966 A 54 LEU HA A 54 LEU HD2% 1.0 0.367 4.037 1029 967 A 90 LEU HD2% A 87 TYR HBy 1.0 0.393 4.323 1030 968 A 85 LEU HD1% A 85 LEU HA 1.0 0.379 4.169 1031 969 A 83 LEU HA A 83 LEU HD2% 1.0 0.331 3.641 1032 970 A 95 THR HG2% A 95 THR HA 1.0 0.326 3.586 1033 971 A 39 VAL HG1% A 39 VAL HA 1.0 0.296 3.256 1034 972 A 31 THR HA A 31 THR HG2% 1.0 0.322 3.542 1035 973 A 68 LEU HA A 71 THR HG2% 1.0 0.372 4.092 1036 974 A 13 VAL HG2% A 13 VAL HA 1.0 0.331 3.641 1037 975 A 34 LEU HD2% A 34 LEU HA 1.0 0.303 3.333 1038 976 A 24 VAL HG2% A 24 VAL HA 1.0 0.298 3.278 1039 977 A 48 VAL HG2% A 48 VAL HA 1.0 0.319 3.509 1040 978 A 80 LEU HA A 80 LEU HD2% 1.0 0.334 3.674 1041 979 A 65 LEU HA A 65 LEU HD2% 1.0 0.316 3.476 1042 980 A 49 LEU HA A 49 LEU HD2% 1.0 0.301 3.311 1043 981 A 22 THR HG2% A 62 GLY HAx 1.0 0.373 4.103 1044 982 A 61 VAL HA A 61 VAL HG1% 1.0 0.332 3.652 1045 983 A 77 VAL HA A 77 VAL HG1% 1.0 0.337 3.707 1046 984 A 27 PRO HA A 30 ILE HD1% 1.0 0.412 4.532 1047 985 A 30 ILE HD1% A 30 ILE HB 1.0 0.351 3.861 1048 986 A 21 LEU HBx A 25 ILE HD1% 1.0 0.361 3.971 1049 987 A 25 ILE HB A 25 ILE HD1% 1.0 0.322 3.542 1050 988 A 25 ILE HG2% A 30 ILE HD1% 1.0 0.314 3.454 1051 989 A 56 ILE HB A 56 ILE HD1% 1.0 0.347 3.817 1052 990 A 56 ILE HD1% A 59 ARG HDx 1.0 0.429 4.719 1053 990 A 56 ILE HD1% A 59 ARG HDy 1.0 0.429 4.719 1054 991 A 56 ILE HD1% A 56 ILE HA 1.0 0.420 4.620 1055 992 A 41 ASN HBy A 67 ILE HD1% 1.0 0.540 5.940 1056 993 A 25 ILE HA A 25 ILE HD1% 1.0 0.408 4.488 1057 994 A 44 ASP HA A 67 ILE HD1% 1.0 0.399 4.389 1058 995 A 30 ILE HD1% A 30 ILE HA 1.0 0.427 4.697 1059 996 A 33 TYR HD% A 30 ILE HD1% 1.0 0.318 3.498 1060 997 A 25 ILE HD1% A 79 PHE HE% 1.0 0.363 3.993 1061 998 A 25 ILE HD1% A 79 PHE HZ 1.0 0.376 4.136 1062 999 A 67 ILE H A 67 ILE HD1% 1.0 0.421 4.631 1063 1000 A 31 THR H A 30 ILE HD1% 1.0 0.527 5.797 1064 1001 A 25 ILE HA A 25 ILE HG2% 1.0 0.353 3.883 1065 1002 A 25 ILE HG2% A 79 PHE HE% 1.0 0.403 4.433 1066 1003 A 68 LEU HA A 67 ILE HG2% 1.0 0.387 4.257 1067 1004 A 67 ILE HG2% A 44 ASP HBx 1.0 0.439 4.829 1068 1005 A 67 ILE HG2% A 44 ASP HBy 1.0 0.439 4.829 1069 1006 A 58 LYS H A 56 ILE HG2% 1.0 0.415 4.565 1070 1007 A 31 THR H A 30 ILE HG2% 1.0 0.446 4.906 1071 1008 A 86 TYR HD% A 30 ILE HG2% 1.0 0.355 3.905 1072 1009 A 30 ILE H A 30 ILE HG2% 1.0 0.355 3.905 1073 1010 A 30 ILE HG2% A 30 ILE HA 1.0 0.336 3.696 1074 1011 A 56 ILE HG2% A 56 ILE HA 1.0 0.355 3.905 1075 1012 A 30 ILE HG2% A 82 SER HBx 1.0 0.437 4.807 1076 1013 A 56 ILE HG2% A 59 ARG HDx 1.0 0.434 4.774 1077 1013 A 56 ILE HG2% A 59 ARG HDy 1.0 0.434 4.774 1078 1014 A 30 ILE HG2% A 33 TYR HBx 1.0 0.474 5.214 1079 1015 A 30 ILE HG2% A 86 TYR HBx 1.0 0.368 4.048 1080 1015 A 86 TYR HBy A 30 ILE HG2% 1.0 0.368 4.048 1081 1016 A 56 ILE HG2% A 59 ARG HB2 1.0 0.354 3.894 1082 1016 A 59 ARG HB3 A 56 ILE HG2% 1.0 0.354 3.894 1083 1017 A 30 ILE HG2% A 29 ARG HB2 1.0 0.340 3.740 1084 1017 A 29 ARG HB3 A 30 ILE HG2% 1.0 0.340 3.740 1085 1018 A 14 LEU HD2% A 94 VAL HG1% 1.0 0.312 3.432 1086 1019 A 94 VAL HG2% A 94 VAL HA 1.0 0.346 3.806 1087 1020 A 94 VAL H A 94 VAL HG1% 1.0 0.380 4.180 1088 1021 A 93 LYS H A 94 VAL HG2% 1.0 0.409 4.499 1089 1022 A 33 TYR HE% A 78 ALA HB% 1.0 0.418 4.598 1090 1023 A 79 PHE HD% A 65 LEU HD2% 1.0 0.356 3.916 1091 1024 A 79 PHE HD% A 80 LEU HD2% 1.0 0.384 4.224 1092 1025 A 80 LEU HD2% A 91 TYR HE% 1.0 0.403 4.433 1093 1026 A 80 LEU HD2% A 76 TYR HE% 1.0 0.422 4.642 1094 1027 A 95 THR HG2% A 91 TYR HE% 1.0 0.395 4.345 1095 1028 A 91 TYR HD% A 95 THR HG2% 1.0 0.430 4.730 1096 1029 A 33 TYR HD% A 34 LEU HD2% 1.0 0.347 3.817 1097 1030 A 13 VAL H A 13 VAL HG2% 1.0 0.333 3.663 1098 1031 A 13 VAL H A 13 VAL HG1% 1.0 0.389 4.279 1099 1032 A 83 LEU HD2% A 87 TYR HBx 1.0 0.432 4.752 1100 1033 A 78 ALA HB% A 39 VAL HG1% 1.0 0.306 3.366 1101 1034 A 49 LEU HBx A 49 LEU HD2% 1.0 0.332 3.652 1102 1035 A 64 LEU HBx A 64 LEU HD2% 1.0 0.313 3.443 1103 1036 A 40 LEU HBy A 40 LEU HD2% 1.0 0.315 3.465 1104 1037 A 21 LEU HBx A 21 LEU HD2% 1.0 0.319 3.509 1105 1038 A 21 LEU HD2% A 83 LEU HD1% 1.0 0.290 3.190 1106 1039 A 21 LEU HD2% A 94 VAL HG1% 1.0 0.311 3.421 1107 1040 A 61 VAL HB A 22 THR HG2% 1.0 0.321 3.531 1108 1041 A 55 VAL HA A 55 VAL HG2% 1.0 0.363 3.993 1109 1042 A 55 VAL HA A 55 VAL HG1% 1.0 0.363 3.993 1110 1043 A 71 THR HG2% A 39 VAL HG1% 1.0 0.352 3.872 1111 1044 A 64 LEU HBy A 64 LEU HD2% 1.0 0.329 3.619 1112 1045 A 90 LEU HBx A 90 LEU HD2% 1.0 0.310 3.410 1113 1046 A 40 LEU HA A 40 LEU HD2% 1.0 0.388 4.268 1114 1047 A 40 LEU HD2% A 44 ASP HBy 1.0 0.391 4.301 1115 1048 A 14 LEU HD1% A 14 LEU HBx 1.0 0.403 4.433 1116 1049 A 21 LEU HBx A 65 LEU HD1% 1.0 0.476 5.236 1117 1050 A 61 VAL HB A 65 LEU HD1% 1.0 0.520 5.720 1118 1051 A 65 LEU HBx A 65 LEU HD1% 1.0 0.336 3.696 1119 1052 A 45 GLU HGx A 40 LEU HD2% 1.0 0.441 4.851 1120 1053 A 34 LEU HBx A 40 LEU HD2% 1.0 0.381 4.191 1121 1054 A 45 GLU HGy A 40 LEU HD2% 1.0 0.406 4.466 1122 1055 A 45 GLU HBx A 40 LEU HD2% 1.0 0.341 3.751 1123 1056 A 49 LEU HBy A 49 LEU HD2% 1.0 0.321 3.531 1124 1057 A 83 LEU HBx A 83 LEU HD2% 1.0 0.402 4.422 1125 1058 A 90 LEU HBx A 83 LEU HD2% 1.0 0.420 4.620 1126 1059 A 85 LEU HBy A 85 LEU HD2% 1.0 0.327 3.597 1127 1060 A 48 VAL HG1% A 27 PRO HGx 1.0 0.355 3.905 1128 1061 A 45 GLU HGy A 31 THR HG2% 1.0 0.317 3.487 1129 1062 A 39 VAL HG1% A 37 CYS HBy 1.0 0.425 4.675 1130 1063 A 39 VAL HB A 71 THR HG2% 1.0 0.366 4.026 1131 1064 A 77 VAL HA A 77 VAL HG2% 1.0 0.335 3.685 1132 1065 A 44 ASP H A 67 ILE HG2% 1.0 0.515 5.665 1133 1066 A 78 ALA HB% A 34 LEU HD2% 1.0 0.292 3.212 1134 1067 A 91 TYR HBy A 95 THR HG2% 1.0 0.482 5.302 1135 1068 A 62 GLY HAy A 22 THR HG2% 1.0 0.369 4.059 1136 1069 A 91 TYR HBx A 83 LEU HD2% 1.0 0.462 5.082 1137 1070 A 17 PHE HBx A 21 LEU HG 1.0 0.425 4.675 1138 1071 A 71 THR HB A 39 VAL HG1% 1.0 0.455 5.005 1139 1072 A 33 TYR HE% A 85 LEU HD1% 1.0 0.402 4.422 1140 1073 A 33 TYR HD% A 85 LEU HD1% 1.0 0.398 4.378 1141 1074 A 87 TYR HE% A 29 ARG HB2 1.0 0.445 4.895 1142 1074 A 87 TYR HE% A 29 ARG HB3 1.0 0.445 4.895 1143 1075 A 46 GLU H A 45 GLU HGx 1.0 0.550 6.050 1144 1076 A 49 LEU H A 45 GLU HGx 1.0 0.550 6.050 1145 1077 A 86 TYR HE% A 33 TYR HBx 1.0 0.458 5.038 1146 1078 A 79 PHE HBx A 11 TRP HH2 1.0 0.471 5.181 1147 1079 A 65 LEU H A 65 LEU HD2% 1.0 0.412 4.532 1148 1080 A 11 TRP HE3 A 14 LEU HD1% 1.0 0.403 4.433 1149 1081 A 37 CYS HA A 36 GLN HGy 1.0 0.550 6.050 1150 1082 A 37 CYS HA A 36 GLN HGx 1.0 0.550 6.050 1151 1083 A 12 SER HA A 13 VAL HG2% 1.0 0.510 5.610 1152 1084 A 14 LEU HD2% A 14 LEU HA 1.0 0.324 3.564 1153 1085 A 14 LEU HD1% A 76 TYR HE% 1.0 0.409 4.499 1154 1086 A 14 LEU H A 14 LEU HD1% 1.0 0.508 5.588 1155 1087 A 18 ARG HA A 17 PHE HA 1.0 0.483 5.313 1156 1088 A 21 LEU HG A 17 PHE HA 1.0 0.478 5.258 1157 1089 A 18 ARG HA A 65 LEU HD2% 1.0 0.550 6.050 1158 1090 A 17 PHE HBy A 20 THR HG2% 1.0 0.449 4.939 1159 1091 A 21 LEU HBx A 65 LEU HD2% 1.0 0.550 6.050 1160 1092 A 21 LEU HD2% A 79 PHE HZ 1.0 0.320 3.520 1161 1093 A 68 LEU HA A 68 LEU HD2% 1.0 0.284 3.124 1162 1094 A 68 LEU HBx A 68 LEU HD2% 1.0 0.273 3.003 1163 1095 A 15 GLU HA A 21 LEU HD1% 1.0 0.496 5.456 1164 1096 A 22 THR HA A 22 THR HG2% 1.0 0.328 3.608 1165 1097 A 23 SER H A 22 THR HG2% 1.0 0.450 4.950 1166 1098 A 21 LEU HA A 25 ILE HG1y 1.0 0.527 5.797 1167 1099 A 25 ILE HG2% A 26 ASP HA 1.0 0.479 5.269 1168 1100 A 25 ILE HG1x A 25 ILE HG2% 1.0 0.347 3.817 1169 1101 A 27 PRO HDy A 26 ASP HBx 1.0 0.550 6.050 1170 1102 A 27 PRO HDy A 26 ASP HBy 1.0 0.550 6.050 1171 1103 A 49 LEU HD2% A 28 SER HB2 1.0 0.349 3.839 1172 1103 A 28 SER HB3 A 49 LEU HD2% 1.0 0.349 3.839 1173 1104 A 31 THR H A 30 ILE HG1x 1.0 0.502 5.522 1174 1105 A 30 ILE HG1x A 29 ARG HB2 1.0 0.550 6.050 1175 1105 A 29 ARG HB3 A 30 ILE HG1x 1.0 0.550 6.050 1176 1106 A 30 ILE HD1% A 82 SER HG 1.0 0.476 5.236 1177 1107 A 30 ILE HD1% A 82 SER HA 1.0 0.462 5.082 1178 1108 A 30 ILE HD1% A 86 TYR HBx 1.0 0.505 5.555 1179 1108 A 86 TYR HBy A 30 ILE HD1% 1.0 0.505 5.555 1180 1109 A 30 ILE HD1% A 27 PRO HBx 1.0 0.404 4.444 1181 1109 A 27 PRO HBy A 30 ILE HD1% 1.0 0.404 4.444 1182 1110 A 31 THR HA A 40 LEU HD2% 1.0 0.378 4.158 1183 1111 A 31 THR HG2% A 28 SER HA 1.0 0.349 3.839 1184 1112 A 45 GLU HA A 31 THR HG2% 1.0 0.412 4.532 1185 1113 A 31 THR HG2% A 49 LEU HD1% 1.0 0.267 2.937 1186 1114 A 36 GLN H A 36 GLN HGx 1.0 0.482 5.302 1187 1115 A 45 GLU HBx A 42 PRO HA 1.0 0.406 4.466 1188 1116 A 48 VAL HG2% A 47 GLN HGx 1.0 0.550 6.050 1189 1117 A 63 VAL HG1% A 47 GLN HGx 1.0 0.550 6.050 1190 1118 A 50 SER H A 48 VAL HA 1.0 0.430 4.730 1191 1119 A 45 GLU H A 48 VAL HG2% 1.0 0.441 4.851 1192 1120 A 64 LEU HBx A 61 VAL HG1% 1.0 0.353 3.883 1193 1121 A 49 LEU HBy A 46 GLU HA 1.0 0.517 5.687 1194 1122 A 49 LEU H A 49 LEU HD2% 1.0 0.419 4.609 1195 1123 A 49 LEU HD1% A 28 SER HA 1.0 0.451 4.961 1196 1124 A 51 ASP HA A 52 PRO HBx 1.0 0.524 5.764 1197 1125 A 54 LEU HD2% A 54 LEU HBy 1.0 0.374 4.114 1198 1126 A 64 LEU HBy A 64 LEU HD1% 1.0 0.342 3.762 1199 1127 A 11 TRP HA A 14 LEU HG 1.0 0.401 4.411 1200 1128 A 59 ARG HA A 59 ARG HDx 1.0 0.419 4.609 1201 1128 A 59 ARG HA A 59 ARG HDy 1.0 0.419 4.609 1202 1129 A 60 LYS HA A 63 VAL HG1% 1.0 0.456 5.016 1203 1130 A 27 PRO HA A 30 ILE HG1x 1.0 0.353 3.883 1204 1131 A 61 VAL HG2% A 26 ASP HA 1.0 0.441 4.851 1205 1132 A 65 LEU HD1% A 62 GLY HAx 1.0 0.393 4.323 1206 1133 A 22 THR HA A 65 LEU HD1% 1.0 0.483 5.313 1207 1134 A 67 ILE HA A 67 ILE HG2% 1.0 0.344 3.784 1208 1135 A 71 THR HG1 A 68 LEU HA 1.0 0.550 6.050 1209 1136 A 21 LEU HBy A 25 ILE HD1% 1.0 0.387 4.257 1210 1137 A 68 LEU H A 68 LEU HD1% 1.0 0.423 4.653 1211 1138 A 79 PHE HBx A 68 LEU HD1% 1.0 0.485 5.335 1212 1139 A 70 ARG H A 71 THR HG2% 1.0 0.432 4.752 1213 1140 A 25 ILE H A 23 SER HA 1.0 0.550 6.050 1214 1141 A 73 HIS HA A 73 HIS HD2 1.0 0.550 6.050 1215 1142 A 76 TYR HD% A 73 HIS HA 1.0 0.479 5.269 1216 1143 A 77 VAL H A 77 VAL HG1% 1.0 0.419 4.609 1217 1144 A 76 TYR HD% A 77 VAL HG2% 1.0 0.398 4.378 1218 1145 A 78 ALA HB% A 75 GLY HAy 1.0 0.467 5.137 1219 1146 A 68 LEU HBx A 75 GLY HAy 1.0 0.550 6.050 1220 1147 A 71 THR HG2% A 75 GLY HAy 1.0 0.550 6.050 1221 1148 A 71 THR HG2% A 75 GLY HAx 1.0 0.512 5.632 1222 1149 A 76 TYR HA A 11 TRP HH2 1.0 0.517 5.687 1223 1150 A 79 PHE H A 76 TYR HA 1.0 0.539 5.929 1224 1151 A 79 PHE HBx A 76 TYR HA 1.0 0.434 4.774 1225 1152 A 14 LEU HD1% A 76 TYR HA 1.0 0.550 6.050 1226 1153 A 76 TYR HD% A 77 VAL HA 1.0 0.476 5.236 1227 1154 A 81 GLU H A 78 ALA HB% 1.0 0.475 5.225 1228 1155 A 80 LEU HG A 91 TYR HE% 1.0 0.462 5.082 1229 1156 A 91 TYR HD% A 80 LEU HG 1.0 0.533 5.863 1230 1157 A 77 VAL HA A 80 LEU HG 1.0 0.492 5.412 1231 1158 A 80 LEU HD1% A 76 TYR HE% 1.0 0.402 4.422 1232 1159 A 80 LEU HD1% A 91 TYR HE% 1.0 0.425 4.675 1233 1160 A 79 PHE HD% A 80 LEU HD1% 1.0 0.469 5.159 1234 1161 A 90 LEU HBx A 91 TYR HA 1.0 0.525 5.775 1235 1162 A 30 ILE HB A 82 SER HA 1.0 0.491 5.401 1236 1163 A 87 TYR HD% A 83 LEU HA 1.0 0.426 4.686 1237 1164 A 83 LEU HA A 86 TYR HBx 1.0 0.371 4.081 1238 1164 A 83 LEU HA A 86 TYR HBy 1.0 0.371 4.081 1239 1165 A 91 TYR HBx A 83 LEU HBy 1.0 0.413 4.543 1240 1166 A 80 LEU HA A 83 LEU HG 1.0 0.490 5.390 1241 1167 A 25 ILE HD1% A 25 ILE HG2% 1.0 0.283 3.113 1242 1168 A 83 LEU HBx A 83 LEU HD1% 1.0 0.360 3.960 1243 1169 A 91 TYR HE% A 84 GLU HA 1.0 0.523 5.753 1244 1170 A 84 GLU HA A 85 LEU HA 1.0 0.476 5.236 1245 1171 A 84 GLU HBy A 91 TYR HE% 1.0 0.509 5.599 1246 1172 A 91 TYR HD% A 84 GLU HBy 1.0 0.482 5.302 1247 1173 A 91 TYR HD% A 84 GLU HGy 1.0 0.536 5.896 1248 1174 A 91 TYR HD% A 84 GLU HGx 1.0 0.536 5.896 1249 1175 A 85 LEU HBy A 86 TYR HE% 1.0 0.508 5.588 1250 1176 A 76 TYR HD% A 14 LEU HD1% 1.0 0.419 4.609 1251 1177 A 85 LEU H A 85 LEU HD2% 1.0 0.400 4.400 1252 1178 A 90 LEU H A 87 TYR HA 1.0 0.533 5.863 1253 1179 A 88 PRO HA A 87 TYR HA 1.0 0.481 5.291 1254 1180 A 90 LEU HD2% A 87 TYR HA 1.0 0.525 5.775 1255 1181 A 91 TYR HD% A 88 PRO HA 1.0 0.486 5.346 1256 1182 A 25 ILE HA A 90 LEU HD2% 1.0 0.409 4.499 1257 1183 A 91 TYR HBy A 83 LEU HD2% 1.0 0.550 6.050 1258 1184 A 91 TYR HBy A 94 VAL HG2% 1.0 0.550 6.050 1259 1185 A 21 LEU HD2% A 94 VAL HG2% 1.0 0.309 3.399 1260 1186 A 92 LYS H A 95 THR HG2% 1.0 0.490 5.390 1261 1187 A 95 THR HG2% A 91 TYR HA 1.0 0.442 4.862 1262 1188 A 95 THR H A 96 GLY HAx 1.0 0.542 5.962 1263 1188 A 95 THR H A 96 GLY HAy 1.0 0.542 5.962 1264 1189 A 90 LEU HD2% A 83 LEU HD2% 1.0 0.293 3.223 1265 1190 A 22 THR HB A 61 VAL HB 1.0 0.426 4.686 1266 1191 A 31 THR HB A 45 GLU HGy 1.0 0.405 4.455 1267 1192 A 31 THR HB A 40 LEU HD2% 1.0 0.439 4.829 1268 1193 A 31 THR HA A 40 LEU HD1% 1.0 0.415 4.565 1269 1194 A 17 PHE HD% A 94 VAL HA 1.0 0.430 4.730 1270 1195 A 48 VAL HG1% A 28 SER HB2 1.0 0.392 4.312 1271 1195 A 28 SER HB3 A 48 VAL HG1% 1.0 0.392 4.312 1272 1196 A 71 THR HG2% A 71 THR HA 1.0 0.349 3.839 1273 1197 A 65 LEU HA A 65 LEU HD1% 1.0 0.383 4.213 1274 1198 A 45 GLU HA A 48 VAL HG1% 1.0 0.456 5.016 1275 1199 A 45 GLU HA A 49 LEU HD1% 1.0 0.489 5.379 1276 1200 A 92 LYS HA A 93 LYS HA 1.0 0.477 5.247 1277 1201 A 49 LEU HD1% A 46 GLU HA 1.0 0.476 5.236 1278 1202 A 97 LYS HA A 97 LYS HGx 1.0 0.357 3.927 1279 1202 A 97 LYS HGy A 97 LYS HA 1.0 0.357 3.927 1280 1203 A 83 LEU HA A 83 LEU HG 1.0 0.373 4.103 1281 1204 A 89 GLN HA A 92 LYS HB2 1.0 0.409 4.499 1282 1204 A 89 GLN HA A 92 LYS HB3 1.0 0.409 4.499 1283 1205 A 35 ARG HA A 38 LYS HA 1.0 0.414 4.554 1284 1206 A 49 LEU HA A 50 SER HA 1.0 0.468 5.148 1285 1207 A 44 ASP HA A 67 ILE HG2% 1.0 0.449 4.939 1286 1208 A 40 LEU HA A 35 ARG HA 1.0 0.524 5.764 1287 1209 A 40 LEU HA A 39 VAL HA 1.0 0.550 6.050 1288 1210 A 18 ARG HBx A 18 ARG HDx 1.0 0.416 4.576 1289 1211 A 57 ARG HDy A 57 ARG HBy 1.0 0.378 4.158 1290 1211 A 57 ARG HBy A 57 ARG HDx 1.0 0.378 4.158 1291 1212 A 18 ARG HDx A 18 ARG HBy 1.0 0.416 4.576 1292 1213 A 18 ARG HBy A 18 ARG HDy 1.0 0.416 4.576 1293 1214 A 90 LEU HBy A 87 TYR HBx 1.0 0.423 4.653 1294 1215 A 31 THR HA A 34 LEU HBx 1.0 0.406 4.466 1295 1216 A 80 LEU HA A 83 LEU HBy 1.0 0.464 5.104 1296 1217 A 34 LEU HBy A 34 LEU HD1% 1.0 0.390 4.290 1297 1218 A 34 LEU HBy A 40 LEU HBx 1.0 0.428 4.708 1298 1219 A 80 LEU HBy A 80 LEU HD1% 1.0 0.392 4.312 1299 1220 A 78 ALA HB% A 37 CYS HBx 1.0 0.417 4.587 1300 1221 A 39 VAL HG2% A 37 CYS HBx 1.0 0.403 4.433 1301 1222 A 43 ASP HA A 42 PRO HBx 1.0 0.428 4.708 1302 1223 A 18 ARG HBx A 18 ARG HDy 1.0 0.416 4.576 1303 1224 A 25 ILE HG1x A 83 LEU HD2% 1.0 0.470 5.170 1304 1225 A 30 ILE HG1y A 30 ILE HG2% 1.0 0.332 3.652 1305 1226 A 39 VAL HG2% A 34 LEU HA 1.0 0.312 3.432 1306 1227 A 19 VAL HA A 19 VAL HG1% 1.0 0.341 3.751 1307 1228 A 22 THR HG2% A 61 VAL HG1% 1.0 0.295 3.245 1308 1229 A 20 THR HA A 20 THR HG2% 1.0 0.327 3.597 1309 1230 A 20 THR HG2% A 90 LEU HD1% 1.0 0.302 3.322 1310 1231 A 48 VAL HG1% A 27 PRO HGy 1.0 0.355 3.905 1311 1232 A 49 LEU HG A 48 VAL HG1% 1.0 0.399 4.389 1312 1233 A 21 LEU HA A 21 LEU HD2% 1.0 0.318 3.498 1313 1234 A 67 ILE HB A 64 LEU HD1% 1.0 0.331 3.641 1314 1235 A 68 LEU HBy A 68 LEU HD2% 1.0 0.402 4.422 1315 1236 A 21 LEU HD2% A 90 LEU HG 1.0 0.416 4.576 1316 1237 A 25 ILE HG1x A 21 LEU HD2% 1.0 0.372 4.092 1317 1238 A 71 THR HG2% A 68 LEU HD2% 1.0 0.370 4.070 1318 1239 A 54 LEU HD1% A 54 LEU HBy 1.0 0.361 3.971 1319 1240 A 22 THR HA A 61 VAL HG1% 1.0 0.324 3.564 1320 1241 A 22 THR HB A 61 VAL HG1% 1.0 0.443 4.873 1321 1242 A 20 THR HB A 21 LEU HG 1.0 0.463 5.093 1322 1243 A 20 THR HB A 17 PHE HBx 1.0 0.550 6.050 1323 1244 A 17 PHE HD% A 20 THR HB 1.0 0.460 5.060 1324 1245 A 91 TYR HE% A 91 TYR HA 1.0 0.550 6.050 1325 1246 A 86 TYR HE% A 86 TYR HA 1.0 0.493 5.423 1326 1247 A 91 TYR HD% A 80 LEU HD1% 1.0 0.469 5.159 1327 1248 A 87 TYR HD% A 90 LEU HD2% 1.0 0.413 4.543 1328 1249 A 21 LEU HD2% A 79 PHE HE% 1.0 0.422 4.642 1329 1250 A 87 TYR HE% A 30 ILE HG2% 1.0 0.385 4.235 1330 1251 A 87 TYR HE% A 25 ILE HG2% 1.0 0.426 4.686 1331 1252 A 21 LEU HA A 25 ILE HD1% 1.0 0.402 4.422 1332 1253 A 22 THR HA A 25 ILE HD1% 1.0 0.449 4.939 1333 1254 A 67 ILE HA A 67 ILE HD1% 1.0 0.405 4.455 1334 1255 A 67 ILE HD1% A 47 GLN HB2 1.0 0.419 4.609 1335 1255 A 47 GLN HB3 A 67 ILE HD1% 1.0 0.419 4.609 1336 1256 A 64 LEU HA A 67 ILE HG2% 1.0 0.454 4.994 1337 1257 A 17 PHE HD% A 94 VAL HG1% 1.0 0.492 5.412 1338 1258 A 17 PHE HD% A 94 VAL HG2% 1.0 0.536 5.896 1339 1259 A 94 VAL HB A 91 TYR HA 1.0 0.443 4.873 1340 1260 A 87 TYR HA A 88 PRO HGx 1.0 0.427 4.697 1341 1260 A 87 TYR HA A 88 PRO HGy 1.0 0.427 4.697 1342 1261 A 35 ARG HA A 35 ARG HDy 1.0 0.425 4.675 1343 1262 A 81 GLU HA A 84 GLU HBy 1.0 0.432 4.752 1344 1263 A 51 ASP HA A 52 PRO HGx 1.0 0.466 5.126 1345 1264 A 32 PRO HDx A 30 ILE HA 1.0 0.501 5.511 1346 1265 A 90 LEU HBy A 87 TYR HA 1.0 0.489 5.379 1347 1266 A 39 VAL HG1% A 74 LYS HE2 1.0 0.406 4.466 1348 1266 A 39 VAL HG1% A 74 LYS HE3 1.0 0.406 4.466 1349 1267 A 54 LEU HG A 51 ASP HBx 1.0 0.476 5.236 1350 1268 A 54 LEU HG A 51 ASP HBy 1.0 0.476 5.236 1351 1269 A 49 LEU HBy A 28 SER HB2 1.0 0.550 6.050 1352 1269 A 28 SER HB3 A 49 LEU HBy 1.0 0.550 6.050 1353 1270 A 53 ASN HBy A 54 LEU HBy 1.0 0.550 6.050 1354 1270 A 53 ASN HBx A 54 LEU HBy 1.0 0.550 6.050 1355 1271 A 83 LEU HA A 87 TYR HBx 1.0 0.464 5.104 1356 1272 A 54 LEU HBx A 53 ASN HBx 1.0 0.550 6.050 1357 1272 A 53 ASN HBy A 54 LEU HBx 1.0 0.550 6.050 1358 1273 A 17 PHE HBx A 94 VAL HG2% 1.0 0.482 5.302 1359 1274 A 85 LEU HBx A 86 TYR HBx 1.0 0.550 6.050 1360 1274 A 86 TYR HBy A 85 LEU HBx 1.0 0.550 6.050 1361 1275 A 85 LEU HD1% A 86 TYR HBx 1.0 0.550 6.050 1362 1275 A 86 TYR HBy A 85 LEU HD1% 1.0 0.550 6.050 1363 1276 A 86 TYR HD% A 85 LEU HBx 1.0 0.524 5.764 1364 1277 A 86 TYR HD% A 85 LEU HBy 1.0 0.531 5.841 1365 1278 A 21 LEU HBx A 83 LEU HD1% 1.0 0.541 5.951 1366 1279 A 21 LEU HBx A 94 VAL HG1% 1.0 0.550 6.050 1367 1280 A 45 GLU HGx A 31 THR HG2% 1.0 0.464 5.104 1368 1281 A 91 TYR HBy A 90 LEU HBx 1.0 0.550 6.050 1369 1282 A 30 ILE HB A 33 TYR HBx 1.0 0.481 5.291 1370 1283 A 30 ILE HB A 33 TYR HA 1.0 0.545 5.995 1371 1284 A 48 VAL HG2% A 47 GLN HGy 1.0 0.550 6.050 1372 1285 A 63 VAL HG1% A 47 GLN HGy 1.0 0.550 6.050 1373 1286 A 83 LEU HD2% A 90 LEU HG 1.0 0.488 5.368 1374 1287 A 33 TYR HA A 32 PRO HGx 1.0 0.428 4.708 1375 1288 A 18 ARG HA A 18 ARG HGx 1.0 0.414 4.554 1376 1289 A 31 THR HB A 49 LEU HD1% 1.0 0.410 4.510 1377 1290 A 49 LEU HA A 49 LEU HD1% 1.0 0.441 4.851 1378 1291 A 14 LEU HA A 14 LEU HD1% 1.0 0.443 4.873 1379 1292 A 61 VAL HA A 64 LEU HD2% 1.0 0.428 4.708 1380 1293 A 54 LEU HD1% A 53 ASN HBx 1.0 0.513 5.643 1381 1293 A 53 ASN HBy A 54 LEU HD1% 1.0 0.513 5.643 1382 1294 A 54 LEU HA A 54 LEU HD1% 1.0 0.395 4.345 1383 1295 A 90 LEU HD2% A 87 TYR HBx 1.0 0.393 4.323 1384 1296 A 21 LEU HA A 90 LEU HD2% 1.0 0.376 4.136 1385 1297 A 49 LEU HG A 31 THR HG2% 1.0 0.371 4.081 1386 1298 A 86 TYR HE% A 85 LEU HD2% 1.0 0.402 4.422 1387 1299 A 94 VAL HB A 95 THR HG2% 1.0 0.404 4.444 1388 1300 A 30 ILE HG2% A 25 ILE HG2% 1.0 0.431 4.741 1389 1301 A 41 ASN HBy A 67 ILE HG2% 1.0 0.441 4.851 1390 1302 A 87 TYR HD% A 90 LEU HBy 1.0 0.494 5.434 1391 1303 A 13 VAL HG1% A 14 LEU HA 1.0 0.455 5.005 1392 1304 A 94 VAL HG1% A 14 LEU HA 1.0 0.499 5.489 1393 1305 A 94 VAL HG2% A 14 LEU HA 1.0 0.527 5.797 1394 1306 A 20 THR HG2% A 17 PHE HA 1.0 0.550 6.050 1395 1307 A 22 THR HG2% A 19 VAL HA 1.0 0.463 5.093 1396 1308 A 20 THR HB A 90 LEU HD1% 1.0 0.491 5.401 1397 1309 A 17 PHE HD% A 20 THR HG2% 1.0 0.466 5.126 1398 1310 A 21 LEU HBy A 94 VAL HG1% 1.0 0.550 6.050 1399 1311 A 87 TYR HD% A 24 VAL HG1% 1.0 0.414 4.554 1400 1312 A 25 ILE HG2% A 27 PRO HBx 1.0 0.400 4.400 1401 1312 A 27 PRO HBy A 25 ILE HG2% 1.0 0.400 4.400 1402 1313 A 29 ARG HB3 A 26 ASP HBy 1.0 0.456 5.016 1403 1313 A 26 ASP HBy A 29 ARG HB2 1.0 0.456 5.016 1404 1314 A 26 ASP HBx A 27 PRO HDx 1.0 0.550 6.050 1405 1315 A 48 VAL HG1% A 28 SER HA 1.0 0.365 4.015 1406 1316 A 30 ILE HA A 29 ARG HB2 1.0 0.493 5.423 1407 1316 A 29 ARG HB3 A 30 ILE HA 1.0 0.493 5.423 1408 1317 A 30 ILE HG1x A 27 PRO HBx 1.0 0.510 5.610 1409 1317 A 27 PRO HBy A 30 ILE HG1x 1.0 0.510 5.610 1410 1318 A 30 ILE HG2% A 82 SER HA 1.0 0.414 4.554 1411 1319 A 30 ILE HG2% A 82 SER HBy 1.0 0.437 4.807 1412 1320 A 30 ILE HG2% A 85 LEU HD1% 1.0 0.474 5.214 1413 1321 A 31 THR HA A 45 GLU HGy 1.0 0.486 5.346 1414 1322 A 30 ILE HG2% A 33 TYR HBy 1.0 0.474 5.214 1415 1323 A 33 TYR HD% A 34 LEU HA 1.0 0.492 5.412 1416 1324 A 39 VAL HG2% A 37 CYS HBy 1.0 0.403 4.433 1417 1325 A 78 ALA HB% A 39 VAL HG2% 1.0 0.287 3.157 1418 1326 A 40 LEU HG A 41 ASN HA 1.0 0.526 5.786 1419 1327 A 45 GLU HBy A 42 PRO HA 1.0 0.464 5.104 1420 1328 A 81 GLU HBy A 82 SER HA 1.0 0.499 5.489 1421 1329 A 45 GLU HBy A 49 LEU HD1% 1.0 0.488 5.368 1422 1330 A 31 THR HB A 45 GLU HGx 1.0 0.452 4.972 1423 1331 A 49 LEU HD1% A 28 SER HB2 1.0 0.398 4.378 1424 1331 A 28 SER HB3 A 49 LEU HD1% 1.0 0.398 4.378 1425 1332 A 53 ASN HBy A 55 VAL HG1% 1.0 0.510 5.610 1426 1332 A 55 VAL HG1% A 53 ASN HBx 1.0 0.510 5.610 1427 1333 A 53 ASN HBx A 55 VAL HG2% 1.0 0.510 5.610 1428 1333 A 53 ASN HBy A 55 VAL HG2% 1.0 0.510 5.610 1429 1334 A 52 PRO HBy A 53 ASN HA 1.0 0.476 5.236 1430 1335 A 54 LEU HD2% A 53 ASN HA 1.0 0.550 6.050 1431 1336 A 54 LEU HD2% A 54 LEU HBx 1.0 0.374 4.114 1432 1337 A 56 ILE HB A 59 ARG HDx 1.0 0.495 5.445 1433 1337 A 56 ILE HB A 59 ARG HDy 1.0 0.495 5.445 1434 1338 A 57 ARG HA A 57 ARG HDx 1.0 0.473 5.203 1435 1338 A 57 ARG HA A 57 ARG HDy 1.0 0.473 5.203 1436 1339 A 57 ARG HA A 57 ARG HGx 1.0 0.419 4.609 1437 1340 A 35 ARG HA A 34 LEU HBx 1.0 0.458 5.038 1438 1341 A 61 VAL HB A 58 LYS HA 1.0 0.502 5.522 1439 1342 A 74 LYS HA A 77 VAL HG2% 1.0 0.354 3.894 1440 1343 A 61 VAL HA A 27 PRO HGx 1.0 0.487 5.357 1441 1344 A 61 VAL HA A 64 LEU HG 1.0 0.540 5.940 1442 1345 A 83 LEU HBy A 90 LEU HD2% 1.0 0.426 4.686 1443 1346 A 62 GLY HAy A 65 LEU HD1% 1.0 0.429 4.719 1444 1347 A 71 THR HG2% A 74 LYS HE2 1.0 0.504 5.544 1445 1347 A 71 THR HG2% A 74 LYS HE3 1.0 0.504 5.544 1446 1348 A 26 ASP HBy A 27 PRO HDx 1.0 0.550 6.050 1447 1349 A 83 LEU HBx A 91 TYR HA 1.0 0.407 4.477 1448 1350 A 78 ALA HB% A 34 LEU HA 1.0 0.387 4.257 1449 1351 A 79 PHE HA A 78 ALA HB% 1.0 0.466 5.126 1450 1352 A 79 PHE HA A 80 LEU HD2% 1.0 0.550 6.050 1451 1353 A 79 PHE HA A 83 LEU HD2% 1.0 0.550 6.050 1452 1354 A 91 TYR HD% A 80 LEU HA 1.0 0.483 5.313 1453 1355 A 80 LEU HA A 91 TYR HE% 1.0 0.485 5.335 1454 1356 A 92 LYS HA A 97 LYS HGx 1.0 0.487 5.357 1455 1356 A 92 LYS HA A 97 LYS HGy 1.0 0.487 5.357 1456 1357 A 85 LEU HBx A 86 TYR HE% 1.0 0.550 6.050 1457 1358 A 29 ARG HB3 A 86 TYR HBx 1.0 0.549 6.039 1458 1358 A 29 ARG HB2 A 86 TYR HBx 1.0 0.549 6.039 1459 1358 A 86 TYR HBy A 29 ARG HB2 1.0 0.549 6.039 1460 1358 A 86 TYR HBy A 29 ARG HB3 1.0 0.549 6.039 1461 1359 A 87 TYR HE% A 87 TYR HA 1.0 0.501 5.511 1462 1360 A 83 LEU HD2% A 87 TYR HA 1.0 0.502 5.522 1463 1361 A 87 TYR HD% A 90 LEU HBx 1.0 0.493 5.423 1464 1362 A 83 LEU HBy A 91 TYR HA 1.0 0.424 4.664 1465 1363 A 14 LEU HD2% A 94 VAL HA 1.0 0.485 5.335 1466 1364 A 21 LEU HD2% A 94 VAL HA 1.0 0.531 5.841 1467 1365 A 94 VAL HG1% A 91 TYR HA 1.0 0.489 5.379 1468 1366 A 91 TYR HBx A 94 VAL HG2% 1.0 0.495 5.445 1469 1367 A 22 THR HA A 61 VAL HA 1.0 0.491 5.401 1470 1368 A 4 TYR H A 4 TYR HBx 1.0 0.338 3.718 1471 1368 A 4 TYR H A 4 TYR HBy 1.0 0.338 3.718 1472 1369 A 5 GLU H A 4 TYR HBx 1.0 0.403 4.433 1473 1369 A 5 GLU H A 4 TYR HBy 1.0 0.403 4.433 1474 1370 A 5 GLU H A 5 GLU HBx 1.0 0.363 3.993 1475 1370 A 5 GLU H A 5 GLU HBy 1.0 0.363 3.993 1476 1371 A 5 GLU H A 5 GLU HGx 1.0 0.440 4.840 1477 1371 A 5 GLU H A 5 GLU HGy 1.0 0.440 4.840 1478 1372 A 6 ASN H A 5 GLU HBx 1.0 0.438 4.818 1479 1372 A 5 GLU HBy A 6 ASN H 1.0 0.438 4.818 1480 1373 A 7 ASP HBx A 72 GLY HAy 1.0 0.387 4.257 1481 1373 A 7 ASP HBy A 72 GLY HAy 1.0 0.387 4.257 1482 1373 A 72 GLY HAx A 7 ASP HBy 1.0 0.387 4.257 1483 1373 A 7 ASP HBx A 72 GLY HAx 1.0 0.387 4.257 1484 1374 A 11 TRP H A 10 CYS HBx 1.0 0.438 4.818 1485 1374 A 11 TRP H A 10 CYS HBy 1.0 0.438 4.818 1486 1375 A 11 TRP HE3 A 10 CYS HBx 1.0 0.525 5.775 1487 1375 A 11 TRP HE3 A 10 CYS HBy 1.0 0.525 5.775 1488 1376 A 11 TRP HA A 14 LEU HBx 1.0 0.530 5.830 1489 1376 A 11 TRP HA A 14 LEU HBy 1.0 0.530 5.830 1490 1377 A 12 SER H A 11 TRP HBy 1.0 0.448 4.928 1491 1377 A 12 SER H A 11 TRP HBx 1.0 0.448 4.928 1492 1378 A 11 TRP HE3 A 14 LEU HBx 1.0 0.454 4.994 1493 1378 A 11 TRP HE3 A 14 LEU HBy 1.0 0.454 4.994 1494 1379 A 11 TRP HE1 A 72 GLY HAy 1.0 0.481 5.291 1495 1379 A 11 TRP HE1 A 72 GLY HAx 1.0 0.481 5.291 1496 1380 A 12 SER HA A 15 GLU HBx 1.0 0.409 4.499 1497 1380 A 12 SER HA A 15 GLU HBy 1.0 0.409 4.499 1498 1381 A 13 VAL H A 12 SER HBy 1.0 0.434 4.774 1499 1381 A 13 VAL H A 12 SER HBx 1.0 0.434 4.774 1500 1382 A 14 LEU H A 14 LEU HBx 1.0 0.324 3.564 1501 1382 A 14 LEU H A 14 LEU HBy 1.0 0.324 3.564 1502 1383 A 14 LEU HD1% A 14 LEU HBx 1.0 0.331 3.641 1503 1383 A 14 LEU HD1% A 14 LEU HBy 1.0 0.331 3.641 1504 1384 A 15 GLU H A 14 LEU HBx 1.0 0.349 3.839 1505 1384 A 15 GLU H A 14 LEU HBy 1.0 0.349 3.839 1506 1385 A 15 GLU H A 15 GLU HBx 1.0 0.344 3.784 1507 1385 A 15 GLU H A 15 GLU HBy 1.0 0.344 3.784 1508 1386 A 15 GLU HA A 18 ARG HBy 1.0 0.405 4.455 1509 1386 A 15 GLU HA A 18 ARG HBx 1.0 0.405 4.455 1510 1387 A 16 GLY H A 15 GLU HBx 1.0 0.424 4.664 1511 1387 A 16 GLY H A 15 GLU HBy 1.0 0.424 4.664 1512 1388 A 18 ARG H A 16 GLY HAy 1.0 0.466 5.126 1513 1388 A 18 ARG H A 16 GLY HAx 1.0 0.466 5.126 1514 1389 A 17 PHE H A 18 ARG HBy 1.0 0.446 4.906 1515 1389 A 17 PHE H A 18 ARG HBx 1.0 0.446 4.906 1516 1390 A 18 ARG H A 18 ARG HBy 1.0 0.301 3.311 1517 1390 A 18 ARG H A 18 ARG HBx 1.0 0.301 3.311 1518 1391 A 18 ARG H A 18 ARG HGx 1.0 0.452 4.972 1519 1391 A 18 ARG H A 18 ARG HGy 1.0 0.452 4.972 1520 1392 A 18 ARG H A 18 ARG HDy 1.0 0.463 5.093 1521 1392 A 18 ARG H A 18 ARG HDx 1.0 0.463 5.093 1522 1393 A 18 ARG HA A 18 ARG HGx 1.0 0.364 4.004 1523 1393 A 18 ARG HA A 18 ARG HGy 1.0 0.364 4.004 1524 1394 A 18 ARG HA A 18 ARG HDy 1.0 0.451 4.961 1525 1394 A 18 ARG HA A 18 ARG HDx 1.0 0.451 4.961 1526 1395 A 18 ARG HBx A 18 ARG HDy 1.0 0.319 3.509 1527 1395 A 18 ARG HDx A 18 ARG HBy 1.0 0.319 3.509 1528 1395 A 18 ARG HBx A 18 ARG HDx 1.0 0.319 3.509 1529 1395 A 18 ARG HBy A 18 ARG HDy 1.0 0.319 3.509 1530 1396 A 19 VAL HA A 19 VAL HG2% 1.0 0.298 3.278 1531 1396 A 19 VAL HA A 19 VAL HG1% 1.0 0.298 3.278 1532 1397 A 20 THR HA A 19 VAL HG2% 1.0 0.374 4.114 1533 1397 A 20 THR HA A 19 VAL HG1% 1.0 0.374 4.114 1534 1398 A 20 THR HB A 19 VAL HG2% 1.0 0.461 5.071 1535 1398 A 20 THR HB A 19 VAL HG1% 1.0 0.461 5.071 1536 1399 A 22 THR H A 23 SER HBy 1.0 0.452 4.972 1537 1399 A 22 THR H A 23 SER HBx 1.0 0.452 4.972 1538 1400 A 23 SER H A 23 SER HBy 1.0 0.298 3.278 1539 1400 A 23 SER H A 23 SER HBx 1.0 0.298 3.278 1540 1401 A 23 SER HA A 58 LYS HBy 1.0 0.394 4.334 1541 1401 A 23 SER HA A 58 LYS HBx 1.0 0.394 4.334 1542 1402 A 23 SER HA A 58 LYS HGx 1.0 0.439 4.829 1543 1402 A 23 SER HA A 58 LYS HGy 1.0 0.439 4.829 1544 1403 A 24 VAL H A 23 SER HBy 1.0 0.372 4.092 1545 1403 A 24 VAL H A 23 SER HBx 1.0 0.372 4.092 1546 1404 A 24 VAL HG2% A 23 SER HBy 1.0 0.373 4.103 1547 1404 A 24 VAL HG2% A 23 SER HBx 1.0 0.373 4.103 1548 1405 A 25 ILE HA A 27 PRO HDx 1.0 0.534 5.874 1549 1405 A 25 ILE HA A 27 PRO HDy 1.0 0.534 5.874 1550 1406 A 25 ILE HG2% A 27 PRO HDx 1.0 0.337 3.707 1551 1406 A 25 ILE HG2% A 27 PRO HDy 1.0 0.337 3.707 1552 1407 A 26 ASP H A 26 ASP HBy 1.0 0.335 3.685 1553 1407 A 26 ASP H A 26 ASP HBx 1.0 0.335 3.685 1554 1408 A 26 ASP H A 27 PRO HDx 1.0 0.535 5.885 1555 1408 A 26 ASP H A 27 PRO HDy 1.0 0.535 5.885 1556 1409 A 26 ASP HA A 27 PRO HGx 1.0 0.455 5.005 1557 1409 A 26 ASP HA A 27 PRO HGy 1.0 0.455 5.005 1558 1410 A 26 ASP HA A 57 ARG HBy 1.0 0.524 5.764 1559 1410 A 26 ASP HA A 57 ARG HBx 1.0 0.524 5.764 1560 1411 A 26 ASP HA A 57 ARG HGy 1.0 0.500 5.500 1561 1411 A 26 ASP HA A 57 ARG HGx 1.0 0.500 5.500 1562 1412 A 26 ASP HBy A 27 PRO HDx 1.0 0.413 4.543 1563 1412 A 26 ASP HBx A 27 PRO HDx 1.0 0.413 4.543 1564 1412 A 27 PRO HDy A 26 ASP HBy 1.0 0.413 4.543 1565 1412 A 27 PRO HDy A 26 ASP HBx 1.0 0.413 4.543 1566 1413 A 29 ARG H A 26 ASP HBy 1.0 0.382 4.202 1567 1413 A 29 ARG H A 26 ASP HBx 1.0 0.382 4.202 1568 1414 A 26 ASP HBy A 29 ARG HB2 1.0 0.377 4.147 1569 1414 A 26 ASP HBx A 29 ARG HB2 1.0 0.377 4.147 1570 1414 A 29 ARG HB3 A 26 ASP HBy 1.0 0.377 4.147 1571 1414 A 29 ARG HB3 A 26 ASP HBx 1.0 0.377 4.147 1572 1415 A 26 ASP HBy A 29 ARG HGy 1.0 0.518 5.698 1573 1415 A 26 ASP HBx A 29 ARG HGy 1.0 0.518 5.698 1574 1415 A 29 ARG HGx A 26 ASP HBy 1.0 0.518 5.698 1575 1415 A 26 ASP HBx A 29 ARG HGx 1.0 0.518 5.698 1576 1416 A 30 ILE H A 26 ASP HBy 1.0 0.509 5.599 1577 1416 A 30 ILE H A 26 ASP HBx 1.0 0.509 5.599 1578 1417 A 28 SER H A 27 PRO HGx 1.0 0.402 4.422 1579 1417 A 28 SER H A 27 PRO HGy 1.0 0.402 4.422 1580 1418 A 48 VAL HG1% A 27 PRO HGx 1.0 0.295 3.245 1581 1418 A 48 VAL HG1% A 27 PRO HGy 1.0 0.295 3.245 1582 1419 A 48 VAL HG2% A 27 PRO HGx 1.0 0.390 4.290 1583 1419 A 48 VAL HG2% A 27 PRO HGy 1.0 0.390 4.290 1584 1420 A 61 VAL HA A 27 PRO HGx 1.0 0.407 4.477 1585 1420 A 61 VAL HA A 27 PRO HGy 1.0 0.407 4.477 1586 1421 A 61 VAL HG2% A 27 PRO HGx 1.0 0.302 3.322 1587 1421 A 61 VAL HG2% A 27 PRO HGy 1.0 0.302 3.322 1588 1422 A 48 VAL HG1% A 27 PRO HDx 1.0 0.484 5.324 1589 1422 A 48 VAL HG1% A 27 PRO HDy 1.0 0.484 5.324 1590 1423 A 27 PRO HDy A 57 ARG HDx 1.0 0.380 4.180 1591 1423 A 27 PRO HDx A 57 ARG HDx 1.0 0.380 4.180 1592 1423 A 57 ARG HDy A 27 PRO HDx 1.0 0.380 4.180 1593 1423 A 57 ARG HDy A 27 PRO HDy 1.0 0.380 4.180 1594 1424 A 61 VAL H A 27 PRO HDx 1.0 0.535 5.885 1595 1424 A 61 VAL H A 27 PRO HDy 1.0 0.535 5.885 1596 1425 A 61 VAL HA A 27 PRO HDx 1.0 0.424 4.664 1597 1425 A 61 VAL HA A 27 PRO HDy 1.0 0.424 4.664 1598 1426 A 61 VAL HG1% A 27 PRO HDx 1.0 0.446 4.906 1599 1426 A 61 VAL HG1% A 27 PRO HDy 1.0 0.446 4.906 1600 1427 A 61 VAL HG2% A 27 PRO HDx 1.0 0.310 3.410 1601 1427 A 61 VAL HG2% A 27 PRO HDy 1.0 0.310 3.410 1602 1428 A 29 ARG H A 29 ARG HGy 1.0 0.468 5.148 1603 1428 A 29 ARG H A 29 ARG HGx 1.0 0.468 5.148 1604 1429 A 29 ARG H A 29 ARG HDx 1.0 0.501 5.511 1605 1429 A 29 ARG H A 29 ARG HD3 1.0 0.501 5.511 1606 1430 A 29 ARG HA A 29 ARG HGy 1.0 0.373 4.103 1607 1430 A 29 ARG HGx A 29 ARG HA 1.0 0.373 4.103 1608 1431 A 29 ARG HA A 29 ARG HDx 1.0 0.396 4.356 1609 1431 A 29 ARG HD3 A 29 ARG HA 1.0 0.396 4.356 1610 1432 A 29 ARG HGx A 86 TYR HBx 1.0 0.519 5.709 1611 1432 A 86 TYR HBy A 29 ARG HGy 1.0 0.519 5.709 1612 1432 A 86 TYR HBy A 29 ARG HGx 1.0 0.519 5.709 1613 1432 A 29 ARG HGy A 86 TYR HBx 1.0 0.519 5.709 1614 1433 A 30 ILE HA A 29 ARG HDx 1.0 0.508 5.588 1615 1433 A 30 ILE HA A 29 ARG HD3 1.0 0.508 5.588 1616 1434 A 30 ILE H A 33 TYR HBy 1.0 0.534 5.874 1617 1434 A 30 ILE H A 33 TYR HBx 1.0 0.534 5.874 1618 1435 A 30 ILE HB A 82 SER HBy 1.0 0.404 4.444 1619 1435 A 30 ILE HB A 82 SER HBx 1.0 0.404 4.444 1620 1436 A 30 ILE HG2% A 33 TYR HBy 1.0 0.397 4.367 1621 1436 A 30 ILE HG2% A 33 TYR HBx 1.0 0.397 4.367 1622 1437 A 30 ILE HG2% A 82 SER HBy 1.0 0.355 3.905 1623 1437 A 30 ILE HG2% A 82 SER HBx 1.0 0.355 3.905 1624 1438 A 30 ILE HD1% A 33 TYR HBy 1.0 0.487 5.357 1625 1438 A 30 ILE HD1% A 33 TYR HBx 1.0 0.487 5.357 1626 1439 A 30 ILE HD1% A 82 SER HBy 1.0 0.429 4.719 1627 1439 A 30 ILE HD1% A 82 SER HBx 1.0 0.429 4.719 1628 1440 A 32 PRO HA A 35 ARG HBy 1.0 0.402 4.422 1629 1440 A 32 PRO HA A 35 ARG HBx 1.0 0.402 4.422 1630 1441 A 33 TYR HA A 36 GLN HBy 1.0 0.380 4.180 1631 1441 A 33 TYR HA A 36 GLN HBx 1.0 0.380 4.180 1632 1442 A 34 LEU H A 33 TYR HBy 1.0 0.337 3.707 1633 1442 A 34 LEU H A 33 TYR HBx 1.0 0.337 3.707 1634 1443 A 35 ARG H A 33 TYR HBy 1.0 0.534 5.874 1635 1443 A 35 ARG H A 33 TYR HBx 1.0 0.534 5.874 1636 1444 A 86 TYR HE% A 33 TYR HBy 1.0 0.394 4.334 1637 1444 A 86 TYR HE% A 33 TYR HBx 1.0 0.394 4.334 1638 1445 A 33 TYR HD% A 82 SER HBy 1.0 0.379 4.169 1639 1445 A 33 TYR HD% A 82 SER HBx 1.0 0.379 4.169 1640 1446 A 34 LEU HA A 37 CYS HBy 1.0 0.378 4.158 1641 1446 A 34 LEU HA A 37 CYS HBx 1.0 0.378 4.158 1642 1447 A 34 LEU HBy A 37 CYS HBy 1.0 0.484 5.324 1643 1447 A 34 LEU HBy A 37 CYS HBx 1.0 0.484 5.324 1644 1448 A 34 LEU HG A 82 SER HBy 1.0 0.448 4.928 1645 1448 A 34 LEU HG A 82 SER HBx 1.0 0.448 4.928 1646 1449 A 34 LEU HD2% A 37 CYS HBy 1.0 0.495 5.445 1647 1449 A 34 LEU HD2% A 37 CYS HBx 1.0 0.495 5.445 1648 1450 A 35 ARG H A 35 ARG HBy 1.0 0.354 3.894 1649 1450 A 35 ARG H A 35 ARG HBx 1.0 0.354 3.894 1650 1451 A 35 ARG H A 35 ARG HDy 1.0 0.462 5.082 1651 1451 A 35 ARG H A 35 ARG HDx 1.0 0.462 5.082 1652 1452 A 36 GLN H A 35 ARG HBy 1.0 0.349 3.839 1653 1452 A 36 GLN H A 35 ARG HBx 1.0 0.349 3.839 1654 1453 A 36 GLN HA A 35 ARG HBy 1.0 0.440 4.840 1655 1453 A 35 ARG HBx A 36 GLN HA 1.0 0.440 4.840 1656 1454 A 36 GLN H A 35 ARG HGy 1.0 0.453 4.983 1657 1454 A 36 GLN H A 35 ARG HGx 1.0 0.453 4.983 1658 1455 A 42 PRO HA A 35 ARG HDy 1.0 0.400 4.400 1659 1455 A 42 PRO HA A 35 ARG HDx 1.0 0.400 4.400 1660 1456 A 45 GLU HBy A 35 ARG HDy 1.0 0.492 5.412 1661 1456 A 45 GLU HBy A 35 ARG HDx 1.0 0.492 5.412 1662 1457 A 36 GLN H A 36 GLN HBy 1.0 0.301 3.311 1663 1457 A 36 GLN H A 36 GLN HBx 1.0 0.301 3.311 1664 1458 A 36 GLN HA A 36 GLN HGx 1.0 0.356 3.916 1665 1458 A 36 GLN HA A 36 GLN HGy 1.0 0.356 3.916 1666 1459 A 37 CYS H A 36 GLN HGx 1.0 0.476 5.236 1667 1459 A 37 CYS H A 36 GLN HGy 1.0 0.476 5.236 1668 1460 A 36 GLN HE22 A 37 CYS HBy 1.0 0.475 5.225 1669 1460 A 36 GLN HE21 A 37 CYS HBy 1.0 0.475 5.225 1670 1460 A 37 CYS HBx A 36 GLN HE22 1.0 0.475 5.225 1671 1460 A 37 CYS HBx A 36 GLN HE21 1.0 0.475 5.225 1672 1461 A 37 CYS H A 37 CYS HBy 1.0 0.309 3.399 1673 1461 A 37 CYS H A 37 CYS HBx 1.0 0.309 3.399 1674 1462 A 37 CYS HA A 38 LYS HGx 1.0 0.534 5.874 1675 1462 A 37 CYS HA A 38 LYS HGy 1.0 0.534 5.874 1676 1463 A 38 LYS H A 37 CYS HBy 1.0 0.423 4.653 1677 1463 A 38 LYS H A 37 CYS HBx 1.0 0.423 4.653 1678 1464 A 37 CYS HBy A 38 LYS HGx 1.0 0.518 5.698 1679 1464 A 37 CYS HBx A 38 LYS HGx 1.0 0.518 5.698 1680 1464 A 38 LYS HGy A 37 CYS HBy 1.0 0.518 5.698 1681 1464 A 37 CYS HBx A 38 LYS HGy 1.0 0.518 5.698 1682 1465 A 39 VAL H A 37 CYS HBy 1.0 0.426 4.686 1683 1465 A 39 VAL H A 37 CYS HBx 1.0 0.426 4.686 1684 1466 A 39 VAL HG2% A 37 CYS HBy 1.0 0.330 3.630 1685 1466 A 39 VAL HG2% A 37 CYS HBx 1.0 0.330 3.630 1686 1467 A 38 LYS H A 38 LYS HBy 1.0 0.362 3.982 1687 1467 A 38 LYS H A 38 LYS HBx 1.0 0.362 3.982 1688 1468 A 38 LYS H A 38 LYS HGx 1.0 0.341 3.751 1689 1468 A 38 LYS H A 38 LYS HGy 1.0 0.341 3.751 1690 1469 A 38 LYS H A 38 LYS HDy 1.0 0.403 4.433 1691 1469 A 38 LYS H A 38 LYS HDx 1.0 0.403 4.433 1692 1470 A 38 LYS HA A 38 LYS HGx 1.0 0.325 3.575 1693 1470 A 38 LYS HA A 38 LYS HGy 1.0 0.325 3.575 1694 1471 A 38 LYS HA A 38 LYS HDy 1.0 0.403 4.433 1695 1471 A 38 LYS HA A 38 LYS HDx 1.0 0.403 4.433 1696 1472 A 38 LYS HBx A 38 LYS HDy 1.0 0.323 3.553 1697 1472 A 38 LYS HBy A 38 LYS HDy 1.0 0.323 3.553 1698 1472 A 38 LYS HDx A 38 LYS HBy 1.0 0.323 3.553 1699 1472 A 38 LYS HBx A 38 LYS HDx 1.0 0.323 3.553 1700 1473 A 38 LYS HBx A 38 LYS HE2 1.0 0.442 4.862 1701 1473 A 38 LYS HBy A 38 LYS HE2 1.0 0.442 4.862 1702 1473 A 38 LYS HE3 A 38 LYS HBy 1.0 0.442 4.862 1703 1473 A 38 LYS HBx A 38 LYS HE3 1.0 0.442 4.862 1704 1474 A 39 VAL H A 38 LYS HBy 1.0 0.417 4.587 1705 1474 A 39 VAL H A 38 LYS HBx 1.0 0.417 4.587 1706 1475 A 39 VAL H A 38 LYS HGx 1.0 0.511 5.621 1707 1475 A 39 VAL H A 38 LYS HGy 1.0 0.511 5.621 1708 1476 A 39 VAL HG1% A 74 LYS HBy 1.0 0.390 4.290 1709 1476 A 39 VAL HG1% A 74 LYS HBx 1.0 0.390 4.290 1710 1477 A 40 LEU HBx A 44 ASP HBx 1.0 0.534 5.874 1711 1477 A 40 LEU HBx A 44 ASP HBy 1.0 0.534 5.874 1712 1478 A 40 LEU HBy A 44 ASP HBx 1.0 0.441 4.851 1713 1478 A 40 LEU HBy A 44 ASP HBy 1.0 0.441 4.851 1714 1479 A 40 LEU HG A 44 ASP HBx 1.0 0.447 4.917 1715 1479 A 40 LEU HG A 44 ASP HBy 1.0 0.447 4.917 1716 1480 A 41 ASN H A 41 ASN HD21 1.0 0.471 5.181 1717 1480 A 41 ASN H A 41 ASN HD22 1.0 0.471 5.181 1718 1481 A 41 ASN HD21 A 41 ASN HBy 1.0 0.346 3.806 1719 1481 A 41 ASN HD22 A 41 ASN HBy 1.0 0.346 3.806 1720 1482 A 41 ASN HBx A 41 ASN HD21 1.0 0.347 3.817 1721 1482 A 41 ASN HBx A 41 ASN HD22 1.0 0.347 3.817 1722 1483 A 41 ASN HD21 A 42 PRO HDx 1.0 0.527 5.797 1723 1483 A 42 PRO HDy A 41 ASN HD21 1.0 0.527 5.797 1724 1483 A 42 PRO HDy A 41 ASN HD22 1.0 0.527 5.797 1725 1483 A 41 ASN HD22 A 42 PRO HDx 1.0 0.527 5.797 1726 1484 A 43 ASP H A 43 ASP HBx 1.0 0.320 3.520 1727 1484 A 43 ASP H A 43 ASP HBy 1.0 0.320 3.520 1728 1485 A 44 ASP H A 43 ASP HBx 1.0 0.377 4.147 1729 1485 A 44 ASP H A 43 ASP HBy 1.0 0.377 4.147 1730 1486 A 44 ASP H A 44 ASP HBx 1.0 0.324 3.564 1731 1486 A 44 ASP H A 44 ASP HBy 1.0 0.324 3.564 1732 1487 A 45 GLU H A 44 ASP HBx 1.0 0.316 3.476 1733 1487 A 45 GLU H A 44 ASP HBy 1.0 0.316 3.476 1734 1488 A 67 ILE HG2% A 44 ASP HBx 1.0 0.374 4.114 1735 1488 A 67 ILE HG2% A 44 ASP HBy 1.0 0.374 4.114 1736 1489 A 67 ILE HD1% A 44 ASP HBx 1.0 0.347 3.817 1737 1489 A 67 ILE HD1% A 44 ASP HBy 1.0 0.347 3.817 1738 1490 A 47 GLN H A 46 GLU HGy 1.0 0.489 5.379 1739 1490 A 47 GLN H A 46 GLU HGx 1.0 0.489 5.379 1740 1491 A 47 GLN H A 47 GLN HGy 1.0 0.440 4.840 1741 1491 A 47 GLN H A 47 GLN HGx 1.0 0.440 4.840 1742 1492 A 47 GLN HA A 47 GLN HGy 1.0 0.359 3.949 1743 1492 A 47 GLN HA A 47 GLN HGx 1.0 0.359 3.949 1744 1493 A 48 VAL HG2% A 47 GLN HGy 1.0 0.477 5.247 1745 1493 A 48 VAL HG2% A 47 GLN HGx 1.0 0.477 5.247 1746 1494 A 63 VAL HG1% A 47 GLN HE21 1.0 0.453 4.983 1747 1494 A 63 VAL HG1% A 47 GLN HE22 1.0 0.453 4.983 1748 1495 A 67 ILE HD1% A 47 GLN HE21 1.0 0.479 5.269 1749 1495 A 67 ILE HD1% A 47 GLN HE22 1.0 0.479 5.269 1750 1496 A 49 LEU HA A 60 LYS HEx 1.0 0.481 5.291 1751 1496 A 49 LEU HA A 60 LYS HEy 1.0 0.481 5.291 1752 1497 A 49 LEU HBy A 50 SER HBy 1.0 0.534 5.874 1753 1497 A 49 LEU HBy A 50 SER HBx 1.0 0.534 5.874 1754 1498 A 49 LEU HD2% A 60 LYS HEx 1.0 0.528 5.808 1755 1498 A 49 LEU HD2% A 60 LYS HEy 1.0 0.528 5.808 1756 1499 A 50 SER H A 50 SER HBy 1.0 0.328 3.608 1757 1499 A 50 SER H A 50 SER HBx 1.0 0.328 3.608 1758 1500 A 51 ASP H A 50 SER HBy 1.0 0.430 4.730 1759 1500 A 51 ASP H A 50 SER HBx 1.0 0.430 4.730 1760 1501 A 51 ASP HA A 52 PRO HDx 1.0 0.296 3.256 1761 1501 A 51 ASP HA A 52 PRO HDy 1.0 0.296 3.256 1762 1502 A 51 ASP HBx A 52 PRO HDx 1.0 0.409 4.499 1763 1502 A 51 ASP HBy A 52 PRO HDx 1.0 0.409 4.499 1764 1502 A 52 PRO HDy A 51 ASP HBx 1.0 0.409 4.499 1765 1502 A 52 PRO HDy A 51 ASP HBy 1.0 0.409 4.499 1766 1503 A 51 ASP HBx A 54 LEU HBy 1.0 0.462 5.082 1767 1503 A 54 LEU HBx A 51 ASP HBx 1.0 0.462 5.082 1768 1503 A 51 ASP HBy A 54 LEU HBx 1.0 0.462 5.082 1769 1503 A 51 ASP HBy A 54 LEU HBy 1.0 0.462 5.082 1770 1504 A 54 LEU HD1% A 51 ASP HBx 1.0 0.408 4.488 1771 1504 A 54 LEU HD1% A 51 ASP HBy 1.0 0.408 4.488 1772 1505 A 55 VAL H A 51 ASP HBx 1.0 0.534 5.874 1773 1505 A 55 VAL H A 51 ASP HBy 1.0 0.534 5.874 1774 1506 A 56 ILE HB A 51 ASP HBx 1.0 0.530 5.830 1775 1506 A 56 ILE HB A 51 ASP HBy 1.0 0.530 5.830 1776 1507 A 51 ASP HBy A 56 ILE HG1y 1.0 0.518 5.698 1777 1507 A 51 ASP HBx A 56 ILE HG1y 1.0 0.518 5.698 1778 1507 A 56 ILE HG1x A 51 ASP HBx 1.0 0.518 5.698 1779 1507 A 51 ASP HBy A 56 ILE HG1x 1.0 0.518 5.698 1780 1508 A 56 ILE HD1% A 51 ASP HBx 1.0 0.451 4.961 1781 1508 A 56 ILE HD1% A 51 ASP HBy 1.0 0.451 4.961 1782 1509 A 53 ASN H A 52 PRO HGy 1.0 0.386 4.246 1783 1509 A 53 ASN H A 52 PRO HGx 1.0 0.386 4.246 1784 1510 A 52 PRO HGy A 53 ASN HBx 1.0 0.456 5.016 1785 1510 A 52 PRO HGx A 53 ASN HBx 1.0 0.456 5.016 1786 1510 A 53 ASN HBy A 52 PRO HGy 1.0 0.456 5.016 1787 1510 A 53 ASN HBy A 52 PRO HGx 1.0 0.456 5.016 1788 1511 A 53 ASN H A 52 PRO HDx 1.0 0.380 4.180 1789 1511 A 53 ASN H A 52 PRO HDy 1.0 0.380 4.180 1790 1512 A 53 ASN H A 53 ASN HD21 1.0 0.436 4.796 1791 1512 A 53 ASN H A 53 ASN HD22 1.0 0.436 4.796 1792 1513 A 53 ASN HA A 55 VAL HG2% 1.0 0.544 5.984 1793 1513 A 53 ASN HA A 55 VAL HG1% 1.0 0.544 5.984 1794 1514 A 53 ASN HBy A 53 ASN HD22 1.0 0.331 3.641 1795 1514 A 53 ASN HD22 A 53 ASN HBx 1.0 0.331 3.641 1796 1514 A 53 ASN HD21 A 53 ASN HBx 1.0 0.331 3.641 1797 1514 A 53 ASN HBy A 53 ASN HD21 1.0 0.331 3.641 1798 1515 A 53 ASN HBx A 55 VAL HG2% 1.0 0.444 4.884 1799 1515 A 53 ASN HBy A 55 VAL HG2% 1.0 0.444 4.884 1800 1515 A 55 VAL HG1% A 53 ASN HBx 1.0 0.444 4.884 1801 1515 A 53 ASN HBy A 55 VAL HG1% 1.0 0.444 4.884 1802 1516 A 54 LEU HD2% A 54 LEU HBy 1.0 0.321 3.531 1803 1516 A 54 LEU HD2% A 54 LEU HBx 1.0 0.321 3.531 1804 1517 A 55 VAL HA A 54 LEU HBy 1.0 0.469 5.159 1805 1517 A 55 VAL HA A 54 LEU HBx 1.0 0.469 5.159 1806 1518 A 55 VAL H A 55 VAL HG2% 1.0 0.327 3.597 1807 1518 A 55 VAL H A 55 VAL HG1% 1.0 0.327 3.597 1808 1519 A 56 ILE H A 55 VAL HG2% 1.0 0.401 4.411 1809 1519 A 56 ILE H A 55 VAL HG1% 1.0 0.401 4.411 1810 1520 A 56 ILE H A 56 ILE HG1y 1.0 0.324 3.564 1811 1520 A 56 ILE H A 56 ILE HG1x 1.0 0.324 3.564 1812 1521 A 56 ILE HB A 60 LYS HGx 1.0 0.440 4.840 1813 1521 A 56 ILE HB A 60 LYS HGy 1.0 0.440 4.840 1814 1522 A 56 ILE HB A 60 LYS HDx 1.0 0.435 4.785 1815 1522 A 56 ILE HB A 60 LYS HD3 1.0 0.435 4.785 1816 1523 A 56 ILE HG2% A 56 ILE HG1y 1.0 0.337 3.707 1817 1523 A 56 ILE HG2% A 56 ILE HG1x 1.0 0.337 3.707 1818 1524 A 56 ILE HG2% A 60 LYS HGx 1.0 0.377 4.147 1819 1524 A 56 ILE HG2% A 60 LYS HGy 1.0 0.377 4.147 1820 1525 A 57 ARG HA A 57 ARG HGy 1.0 0.335 3.685 1821 1525 A 57 ARG HA A 57 ARG HGx 1.0 0.335 3.685 1822 1526 A 58 LYS H A 57 ARG HBy 1.0 0.411 4.521 1823 1526 A 58 LYS H A 57 ARG HBx 1.0 0.411 4.521 1824 1527 A 58 LYS H A 58 LYS HBy 1.0 0.332 3.652 1825 1527 A 58 LYS H A 58 LYS HBx 1.0 0.332 3.652 1826 1528 A 58 LYS H A 58 LYS HGx 1.0 0.439 4.829 1827 1528 A 58 LYS H A 58 LYS HGy 1.0 0.439 4.829 1828 1529 A 59 ARG H A 58 LYS HBy 1.0 0.382 4.202 1829 1529 A 59 ARG H A 58 LYS HBx 1.0 0.382 4.202 1830 1530 A 59 ARG H A 58 LYS HGx 1.0 0.452 4.972 1831 1530 A 59 ARG H A 58 LYS HGy 1.0 0.452 4.972 1832 1531 A 59 ARG H A 58 LYS HDx 1.0 0.506 5.566 1833 1531 A 59 ARG H A 58 LYS HDy 1.0 0.506 5.566 1834 1532 A 59 ARG H A 59 ARG HGx 1.0 0.527 5.797 1835 1532 A 59 ARG H A 59 ARG HGy 1.0 0.527 5.797 1836 1533 A 59 ARG H A 60 LYS HGx 1.0 0.443 4.873 1837 1533 A 59 ARG H A 60 LYS HGy 1.0 0.443 4.873 1838 1534 A 62 GLY H A 59 ARG HGx 1.0 0.531 5.841 1839 1534 A 62 GLY H A 59 ARG HGy 1.0 0.531 5.841 1840 1535 A 62 GLY HAy A 59 ARG HGx 1.0 0.524 5.764 1841 1535 A 62 GLY HAy A 59 ARG HGy 1.0 0.524 5.764 1842 1536 A 60 LYS H A 60 LYS HGx 1.0 0.342 3.762 1843 1536 A 60 LYS H A 60 LYS HGy 1.0 0.342 3.762 1844 1537 A 60 LYS H A 60 LYS HDx 1.0 0.491 5.401 1845 1537 A 60 LYS H A 60 LYS HD3 1.0 0.491 5.401 1846 1538 A 60 LYS HA A 60 LYS HGx 1.0 0.373 4.103 1847 1538 A 60 LYS HA A 60 LYS HGy 1.0 0.373 4.103 1848 1539 A 63 VAL HA A 66 ASP HBx 1.0 0.355 3.905 1849 1539 A 63 VAL HA A 66 ASP HBy 1.0 0.355 3.905 1850 1540 A 66 ASP H A 67 ILE HG1x 1.0 0.518 5.698 1851 1540 A 66 ASP H A 67 ILE HG1y 1.0 0.518 5.698 1852 1541 A 66 ASP HA A 69 GLN HBy 1.0 0.447 4.917 1853 1541 A 66 ASP HA A 69 GLN HBx 1.0 0.447 4.917 1854 1542 A 67 ILE H A 66 ASP HBx 1.0 0.338 3.718 1855 1542 A 67 ILE H A 66 ASP HBy 1.0 0.338 3.718 1856 1543 A 67 ILE HD1% A 66 ASP HBx 1.0 0.534 5.874 1857 1543 A 67 ILE HD1% A 66 ASP HBy 1.0 0.534 5.874 1858 1544 A 67 ILE H A 67 ILE HG1x 1.0 0.328 3.608 1859 1544 A 67 ILE H A 67 ILE HG1y 1.0 0.328 3.608 1860 1545 A 67 ILE HA A 70 ARG HGx 1.0 0.534 5.874 1861 1545 A 67 ILE HA A 70 ARG HGy 1.0 0.534 5.874 1862 1546 A 68 LEU H A 67 ILE HG1x 1.0 0.510 5.610 1863 1546 A 68 LEU H A 67 ILE HG1y 1.0 0.510 5.610 1864 1547 A 69 GLN H A 69 GLN HBy 1.0 0.319 3.509 1865 1547 A 69 GLN H A 69 GLN HBx 1.0 0.319 3.509 1866 1548 A 70 ARG H A 69 GLN HBy 1.0 0.383 4.213 1867 1548 A 70 ARG H A 69 GLN HBx 1.0 0.383 4.213 1868 1549 A 70 ARG H A 70 ARG HBy 1.0 0.309 3.399 1869 1549 A 70 ARG H A 70 ARG HBx 1.0 0.309 3.399 1870 1550 A 70 ARG H A 70 ARG HGx 1.0 0.331 3.641 1871 1550 A 70 ARG H A 70 ARG HGy 1.0 0.331 3.641 1872 1551 A 70 ARG H A 70 ARG HDy 1.0 0.483 5.313 1873 1551 A 70 ARG H A 70 ARG HDx 1.0 0.483 5.313 1874 1552 A 70 ARG HA A 70 ARG HGx 1.0 0.367 4.037 1875 1552 A 70 ARG HA A 70 ARG HGy 1.0 0.367 4.037 1876 1553 A 70 ARG HBy A 70 ARG HDy 1.0 0.332 3.652 1877 1553 A 70 ARG HBx A 70 ARG HDy 1.0 0.332 3.652 1878 1553 A 70 ARG HDx A 70 ARG HBy 1.0 0.332 3.652 1879 1553 A 70 ARG HBx A 70 ARG HDx 1.0 0.332 3.652 1880 1554 A 71 THR H A 70 ARG HBy 1.0 0.394 4.334 1881 1554 A 71 THR H A 70 ARG HBx 1.0 0.394 4.334 1882 1555 A 72 GLY H A 70 ARG HBy 1.0 0.534 5.874 1883 1555 A 72 GLY H A 70 ARG HBx 1.0 0.534 5.874 1884 1556 A 71 THR HB A 74 LYS HBy 1.0 0.437 4.807 1885 1556 A 71 THR HB A 74 LYS HBx 1.0 0.437 4.807 1886 1557 A 73 HIS HA A 76 TYR HBy 1.0 0.391 4.301 1887 1557 A 73 HIS HA A 76 TYR HBx 1.0 0.391 4.301 1888 1558 A 74 LYS H A 73 HIS HBx 1.0 0.356 3.916 1889 1558 A 74 LYS H A 73 HIS HBy 1.0 0.356 3.916 1890 1559 A 76 TYR H A 73 HIS HBx 1.0 0.534 5.874 1891 1559 A 76 TYR H A 73 HIS HBy 1.0 0.534 5.874 1892 1560 A 74 LYS H A 74 LYS HBy 1.0 0.309 3.399 1893 1560 A 74 LYS H A 74 LYS HBx 1.0 0.309 3.399 1894 1561 A 74 LYS H A 74 LYS HGy 1.0 0.450 4.950 1895 1561 A 74 LYS H A 74 LYS HGx 1.0 0.450 4.950 1896 1562 A 75 GLY H A 74 LYS HBy 1.0 0.335 3.685 1897 1562 A 75 GLY H A 74 LYS HBx 1.0 0.335 3.685 1898 1563 A 75 GLY HAy A 74 LYS HBy 1.0 0.534 5.874 1899 1563 A 75 GLY HAy A 74 LYS HBx 1.0 0.534 5.874 1900 1564 A 74 LYS HE3 A 74 LYS HGy 1.0 0.364 4.004 1901 1564 A 74 LYS HE2 A 74 LYS HGy 1.0 0.364 4.004 1902 1564 A 74 LYS HGx A 74 LYS HE2 1.0 0.364 4.004 1903 1564 A 74 LYS HE3 A 74 LYS HGx 1.0 0.364 4.004 1904 1565 A 77 VAL HG2% A 74 LYS HGy 1.0 0.398 4.378 1905 1565 A 77 VAL HG2% A 74 LYS HGx 1.0 0.398 4.378 1906 1566 A 75 GLY HAy A 76 TYR HBy 1.0 0.534 5.874 1907 1566 A 75 GLY HAy A 76 TYR HBx 1.0 0.534 5.874 1908 1567 A 76 TYR H A 76 TYR HBy 1.0 0.306 3.366 1909 1567 A 76 TYR H A 76 TYR HBx 1.0 0.306 3.366 1910 1568 A 77 VAL H A 76 TYR HBy 1.0 0.347 3.817 1911 1568 A 77 VAL H A 76 TYR HBx 1.0 0.347 3.817 1912 1569 A 77 VAL HG2% A 76 TYR HBy 1.0 0.474 5.214 1913 1569 A 77 VAL HG2% A 76 TYR HBx 1.0 0.474 5.214 1914 1570 A 77 VAL HG1% A 81 GLU HGy 1.0 0.339 3.729 1915 1570 A 77 VAL HG1% A 81 GLU HGx 1.0 0.339 3.729 1916 1571 A 78 ALA HA A 81 GLU HGy 1.0 0.483 5.313 1917 1571 A 78 ALA HA A 81 GLU HGx 1.0 0.483 5.313 1918 1572 A 80 LEU H A 81 GLU HGy 1.0 0.534 5.874 1919 1572 A 80 LEU H A 81 GLU HGx 1.0 0.534 5.874 1920 1573 A 81 GLU H A 81 GLU HGy 1.0 0.345 3.795 1921 1573 A 81 GLU H A 81 GLU HGx 1.0 0.345 3.795 1922 1574 A 81 GLU HA A 81 GLU HGy 1.0 0.341 3.751 1923 1574 A 81 GLU HA A 81 GLU HGx 1.0 0.341 3.751 1924 1575 A 81 GLU HA A 84 GLU HGx 1.0 0.534 5.874 1925 1575 A 81 GLU HA A 84 GLU HGy 1.0 0.534 5.874 1926 1576 A 82 SER H A 82 SER HBy 1.0 0.326 3.586 1927 1576 A 82 SER H A 82 SER HBx 1.0 0.326 3.586 1928 1577 A 83 LEU H A 82 SER HBy 1.0 0.397 4.367 1929 1577 A 83 LEU H A 82 SER HBx 1.0 0.397 4.367 1930 1578 A 86 TYR HD% A 82 SER HBy 1.0 0.449 4.939 1931 1578 A 86 TYR HD% A 82 SER HBx 1.0 0.449 4.939 1932 1579 A 86 TYR HE% A 82 SER HBy 1.0 0.515 5.665 1933 1579 A 86 TYR HE% A 82 SER HBx 1.0 0.515 5.665 1934 1580 A 83 LEU HA A 87 TYR HBy 1.0 0.404 4.444 1935 1580 A 83 LEU HA A 87 TYR HBx 1.0 0.404 4.444 1936 1581 A 83 LEU HD1% A 93 LYS HBy 1.0 0.534 5.874 1937 1581 A 83 LEU HD1% A 93 LYS HBx 1.0 0.534 5.874 1938 1582 A 83 LEU HD2% A 87 TYR HBy 1.0 0.357 3.927 1939 1582 A 83 LEU HD2% A 87 TYR HBx 1.0 0.357 3.927 1940 1583 A 84 GLU HA A 84 GLU HGx 1.0 0.343 3.773 1941 1583 A 84 GLU HA A 84 GLU HGy 1.0 0.343 3.773 1942 1584 A 84 GLU HA A 88 PRO HBx 1.0 0.457 5.027 1943 1584 A 84 GLU HA A 88 PRO HBy 1.0 0.457 5.027 1944 1585 A 85 LEU H A 84 GLU HGx 1.0 0.423 4.653 1945 1585 A 85 LEU H A 84 GLU HGy 1.0 0.423 4.653 1946 1586 A 91 TYR HD% A 84 GLU HGx 1.0 0.452 4.972 1947 1586 A 91 TYR HD% A 84 GLU HGy 1.0 0.452 4.972 1948 1587 A 91 TYR HE% A 84 GLU HGx 1.0 0.491 5.401 1949 1587 A 91 TYR HE% A 84 GLU HGy 1.0 0.491 5.401 1950 1588 A 89 GLN H A 87 TYR HBy 1.0 0.507 5.577 1951 1588 A 89 GLN H A 87 TYR HBx 1.0 0.507 5.577 1952 1589 A 90 LEU H A 87 TYR HBy 1.0 0.357 3.927 1953 1589 A 90 LEU H A 87 TYR HBx 1.0 0.357 3.927 1954 1590 A 90 LEU HA A 87 TYR HBy 1.0 0.534 5.874 1955 1590 A 90 LEU HA A 87 TYR HBx 1.0 0.534 5.874 1956 1591 A 90 LEU HBy A 87 TYR HBy 1.0 0.360 3.960 1957 1591 A 90 LEU HBy A 87 TYR HBx 1.0 0.360 3.960 1958 1592 A 90 LEU HBx A 87 TYR HBy 1.0 0.371 4.081 1959 1592 A 90 LEU HBx A 87 TYR HBx 1.0 0.371 4.081 1960 1593 A 90 LEU HD1% A 87 TYR HBy 1.0 0.432 4.752 1961 1593 A 90 LEU HD1% A 87 TYR HBx 1.0 0.432 4.752 1962 1594 A 90 LEU HD2% A 87 TYR HBy 1.0 0.340 3.740 1963 1594 A 90 LEU HD2% A 87 TYR HBx 1.0 0.340 3.740 1964 1595 A 91 TYR H A 87 TYR HBy 1.0 0.452 4.972 1965 1595 A 91 TYR H A 87 TYR HBx 1.0 0.452 4.972 1966 1596 A 90 LEU H A 89 GLN HBy 1.0 0.361 3.971 1967 1596 A 90 LEU H A 89 GLN HBx 1.0 0.361 3.971 1968 1597 A 90 LEU H A 89 GLN HGy 1.0 0.422 4.642 1969 1597 A 90 LEU H A 89 GLN HGx 1.0 0.422 4.642 1970 1598 A 90 LEU HA A 93 LYS HBy 1.0 0.346 3.806 1971 1598 A 90 LEU HA A 93 LYS HBx 1.0 0.346 3.806 1972 1599 A 91 TYR HD% A 92 LYS HGy 1.0 0.522 5.742 1973 1599 A 91 TYR HD% A 92 LYS HGx 1.0 0.522 5.742 1974 1600 A 92 LYS HA A 92 LYS HGy 1.0 0.354 3.894 1975 1600 A 92 LYS HA A 92 LYS HGx 1.0 0.354 3.894 1976 1601 A 92 LYS HA A 97 LYS HBy 1.0 0.482 5.302 1977 1601 A 92 LYS HA A 97 LYS HBx 1.0 0.482 5.302 1978 1602 A 93 LYS H A 92 LYS HGy 1.0 0.491 5.401 1979 1602 A 93 LYS H A 92 LYS HGx 1.0 0.491 5.401 1980 1603 A 97 LYS H A 92 LYS HGy 1.0 0.534 5.874 1981 1603 A 97 LYS H A 92 LYS HGx 1.0 0.534 5.874 1982 1604 A 93 LYS H A 93 LYS HBy 1.0 0.322 3.542 1983 1604 A 93 LYS H A 93 LYS HBx 1.0 0.322 3.542 1984 1605 A 93 LYS H A 93 LYS HGy 1.0 0.431 4.741 1985 1605 A 93 LYS H A 93 LYS HGx 1.0 0.431 4.741 1986 1606 A 93 LYS HA A 93 LYS HGy 1.0 0.374 4.114 1987 1606 A 93 LYS HA A 93 LYS HGx 1.0 0.374 4.114 1988 1607 A 93 LYS HA A 93 LYS HDy 1.0 0.396 4.356 1989 1607 A 93 LYS HA A 93 LYS HDx 1.0 0.396 4.356 1990 1608 A 94 VAL H A 93 LYS HBy 1.0 0.316 3.476 1991 1608 A 94 VAL H A 93 LYS HBx 1.0 0.316 3.476 1992 1609 A 94 VAL HG1% A 93 LYS HBy 1.0 0.534 5.874 1993 1609 A 94 VAL HG1% A 93 LYS HBx 1.0 0.534 5.874 1994 1610 A 95 THR H A 93 LYS HBy 1.0 0.534 5.874 1995 1610 A 95 THR H A 93 LYS HBx 1.0 0.534 5.874 1996 1611 A 94 VAL H A 93 LYS HGy 1.0 0.436 4.796 1997 1611 A 94 VAL H A 93 LYS HGx 1.0 0.436 4.796 1998 1612 A 97 LYS H A 97 LYS HBy 1.0 0.302 3.322 1999 1612 A 97 LYS H A 97 LYS HBx 1.0 0.302 3.322 2000 1613 A 97 LYS H A 97 LYS HDx 1.0 0.534 5.874 2001 1613 A 97 LYS H A 97 LYS HDy 1.0 0.534 5.874 2002 1614 A 97 LYS HBy A 97 LYS HDx 1.0 0.319 3.509 2003 1614 A 97 LYS HBx A 97 LYS HDx 1.0 0.319 3.509 2004 1614 A 97 LYS HDy A 97 LYS HBy 1.0 0.319 3.509 2005 1614 A 97 LYS HBx A 97 LYS HDy 1.0 0.319 3.509 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _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 10 CYS SG A 73 HIS ND1 1.0 3.2 3.6 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 PHE H A 14 LEU O 1.0 0.0 2.0 2 2 A 14 LEU O A 17 PHE N 1.0 0.0 3.0 3 3 A 18 ARG H A 15 GLU O 1.0 0.0 2.0 4 4 A 15 GLU O A 18 ARG N 1.0 0.0 3.0 5 5 A 21 LEU H A 17 PHE O 1.0 0.0 2.0 6 6 A 17 PHE O A 21 LEU N 1.0 0.0 3.0 7 7 A 22 THR H A 18 ARG O 1.0 0.0 2.0 8 8 A 18 ARG O A 22 THR N 1.0 0.0 3.0 9 9 A 24 VAL H A 20 THR O 1.0 0.0 2.0 10 10 A 20 THR O A 24 VAL N 1.0 0.0 3.0 11 11 A 25 ILE H A 21 LEU O 1.0 0.0 2.0 12 12 A 21 LEU O A 25 ILE N 1.0 0.0 3.0 13 13 A 34 LEU H A 30 ILE O 1.0 0.0 2.0 14 14 A 30 ILE O A 34 LEU N 1.0 0.0 3.0 15 15 A 35 ARG H A 31 THR O 1.0 0.0 2.0 16 16 A 31 THR O A 35 ARG N 1.0 0.0 3.0 17 17 A 36 GLN H A 32 PRO O 1.0 0.0 2.0 18 18 A 32 PRO O A 36 GLN N 1.0 0.0 3.0 19 19 A 38 LYS H A 35 ARG O 1.0 0.0 2.0 20 20 A 35 ARG O A 38 LYS N 1.0 0.0 3.0 21 21 A 48 VAL H A 44 ASP O 1.0 0.0 2.0 22 22 A 44 ASP O A 48 VAL N 1.0 0.0 3.0 23 23 A 49 LEU H A 45 GLU O 1.0 0.0 2.0 24 24 A 45 GLU O A 49 LEU N 1.0 0.0 3.0 25 25 A 60 LYS H A 56 ILE O 1.0 0.0 2.0 26 26 A 56 ILE O A 60 LYS N 1.0 0.0 3.0 27 27 A 61 VAL H A 57 ARG O 1.0 0.0 2.0 28 28 A 57 ARG O A 61 VAL N 1.0 0.0 3.0 29 29 A 63 VAL H A 59 ARG O 1.0 0.0 2.0 30 30 A 59 ARG O A 63 VAL N 1.0 0.0 3.0 31 31 A 64 LEU H A 60 LYS O 1.0 0.0 2.0 32 32 A 60 LYS O A 64 LEU N 1.0 0.0 3.0 33 33 A 65 LEU H A 61 VAL O 1.0 0.0 2.0 34 34 A 61 VAL O A 65 LEU N 1.0 0.0 3.0 35 35 A 68 LEU H A 64 LEU O 1.0 0.0 2.0 36 36 A 64 LEU O A 68 LEU N 1.0 0.0 3.0 37 37 A 69 GLN H A 65 LEU O 1.0 0.0 2.0 38 38 A 65 LEU O A 69 GLN N 1.0 0.0 3.0 39 39 A 71 THR H A 68 LEU O 1.0 0.0 2.0 40 40 A 68 LEU O A 71 THR N 1.0 0.0 3.0 41 41 A 72 GLY H A 69 GLN O 1.0 0.0 2.0 42 42 A 69 GLN O A 72 GLY N 1.0 0.0 3.0 43 43 A 79 PHE H A 75 GLY O 1.0 0.0 2.0 44 44 A 75 GLY O A 79 PHE N 1.0 0.0 3.0 45 45 A 80 LEU H A 76 TYR O 1.0 0.0 2.0 46 46 A 76 TYR O A 80 LEU N 1.0 0.0 3.0 47 47 A 81 GLU H A 77 VAL O 1.0 0.0 2.0 48 48 A 77 VAL O A 81 GLU N 1.0 0.0 3.0 49 49 A 82 SER H A 78 ALA O 1.0 0.0 2.0 50 50 A 78 ALA O A 82 SER N 1.0 0.0 3.0 51 51 A 84 GLU H A 80 LEU O 1.0 0.0 2.0 52 52 A 80 LEU O A 84 GLU N 1.0 0.0 3.0 53 53 A 85 LEU H A 81 GLU O 1.0 0.0 2.0 54 54 A 81 GLU O A 85 LEU N 1.0 0.0 3.0 55 55 A 86 TYR H A 82 SER O 1.0 0.0 2.0 56 56 A 82 SER O A 86 TYR N 1.0 0.0 3.0 57 57 A 91 TYR H A 87 TYR O 1.0 0.0 2.0 58 58 A 87 TYR O A 91 TYR N 1.0 0.0 3.0 59 59 A 94 VAL H A 90 LEU O 1.0 0.0 2.0 60 60 A 90 LEU O A 94 VAL N 1.0 0.0 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 ASP C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -107.2 -25.6 PHI 2 2 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 GLU N 1.0 -58.1 12.5 PSI 3 3 A 8 ASP C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -82.9 -42.9 PHI 4 4 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 CYS N 1.0 -58.3 -18.3 PSI 5 5 A 9 GLU C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -84.7 -44.7 PHI 6 6 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 TRP N 1.0 -65.3 -25.3 PSI 7 7 A 10 CYS C A 11 TRP N A 11 TRP CA A 11 TRP C 1.0 -86.6 -46.6 PHI 8 8 A 11 TRP N A 11 TRP CA A 11 TRP C A 12 SER N 1.0 -55.8 -15.8 PSI 9 9 A 11 TRP C A 12 SER N A 12 SER CA A 12 SER C 1.0 -84.9 -44.9 PHI 10 10 A 12 SER N A 12 SER CA A 12 SER C A 13 VAL N 1.0 -59.2 -19.2 PSI 11 11 A 12 SER C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -88.6 -48.6 PHI 12 12 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 LEU N 1.0 -64.3 -24.3 PSI 13 13 A 13 VAL C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -100.4 -40.0 PHI 14 14 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLU N 1.0 -56.7 -8.9 PSI 15 15 A 14 LEU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -87.1 -47.1 PHI 16 16 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 GLY N 1.0 -57.2 -17.2 PSI 17 17 A 15 GLU C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -87.1 -47.1 PHI 18 18 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 PHE N 1.0 -66.3 6.5 PSI 19 19 A 16 GLY C A 17 PHE N A 17 PHE CA A 17 PHE C 1.0 -140.0 -72.8 PHI 20 20 A 17 PHE N A 17 PHE CA A 17 PHE C A 18 ARG N 1.0 -28.3 43.7 PSI 21 21 A 17 PHE C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -82.3 -42.3 PHI 22 22 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 VAL N 1.0 -62.6 -22.6 PSI 23 23 A 18 ARG C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -83.9 -43.9 PHI 24 24 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 THR N 1.0 -61.4 -16.4 PSI 25 25 A 19 VAL C A 20 THR N A 20 THR CA A 20 THR C 1.0 -87.8 -45.8 PHI 26 26 A 20 THR N A 20 THR CA A 20 THR C A 21 LEU N 1.0 -62.8 -19.6 PSI 27 27 A 20 THR C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -81.4 -41.4 PHI 28 28 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 THR N 1.0 -64.0 -24.0 PSI 29 29 A 21 LEU C A 22 THR N A 22 THR CA A 22 THR C 1.0 -85.3 -45.3 PHI 30 30 A 22 THR N A 22 THR CA A 22 THR C A 23 SER N 1.0 -58.2 -3.6 PSI 31 31 A 22 THR C A 23 SER N A 23 SER CA A 23 SER C 1.0 -121.3 -38.5 PHI 32 32 A 23 SER N A 23 SER CA A 23 SER C A 24 VAL N 1.0 -60.7 -4.9 PSI 33 33 A 23 SER C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -96.6 -46.4 PHI 34 34 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ILE N 1.0 -61.6 -21.6 PSI 35 35 A 27 PRO C A 28 SER N A 28 SER CA A 28 SER C 1.0 -83.8 -43.8 PHI 36 36 A 28 SER N A 28 SER CA A 28 SER C A 29 ARG N 1.0 -58.1 -8.1 PSI 37 37 A 28 SER C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -91.6 -46.6 PHI 38 38 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 ILE N 1.0 -69.5 5.7 PSI 39 39 A 32 PRO C A 33 TYR N A 33 TYR CA A 33 TYR C 1.0 -82.1 -42.1 PHI 40 40 A 33 TYR N A 33 TYR CA A 33 TYR C A 34 LEU N 1.0 -63.2 -23.2 PSI 41 41 A 33 TYR C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -82.2 -42.2 PHI 42 42 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ARG N 1.0 -57.8 -17.8 PSI 43 43 A 34 LEU C A 35 ARG N A 35 ARG CA A 35 ARG C 1.0 -82.3 -42.3 PHI 44 44 A 35 ARG N A 35 ARG CA A 35 ARG C A 36 GLN N 1.0 -57.3 -17.3 PSI 45 45 A 35 ARG C A 36 GLN N A 36 GLN CA A 36 GLN C 1.0 -81.2 -41.2 PHI 46 46 A 36 GLN N A 36 GLN CA A 36 GLN C A 37 CYS N 1.0 -53.1 -13.1 PSI 47 47 A 36 GLN C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -112.7 -72.1 PHI 48 48 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 LYS N 1.0 -13.9 42.7 PSI 49 49 A 39 VAL C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -180.3 -93.5 PHI 50 50 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASN N 1.0 120.6 167.4 PSI 51 51 A 40 LEU C A 41 ASN N A 41 ASN CA A 41 ASN C 1.0 -116.9 -48.5 PHI 52 52 A 41 ASN N A 41 ASN CA A 41 ASN C A 42 PRO N 1.0 103.9 182.1 PSI 53 53 A 42 PRO C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -86.5 -46.5 PHI 54 54 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 ASP N 1.0 -53.6 -13.6 PSI 55 55 A 43 ASP C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -86.0 -46.0 PHI 56 56 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 GLU N 1.0 -64.4 -24.4 PSI 57 57 A 44 ASP C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -83.7 -43.7 PHI 58 58 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 GLU N 1.0 -58.1 -18.1 PSI 59 59 A 45 GLU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -82.6 -42.6 PHI 60 60 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLN N 1.0 -57.4 -17.4 PSI 61 61 A 46 GLU C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -83.8 -43.8 PHI 62 62 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 VAL N 1.0 -60.3 -20.3 PSI 63 63 A 49 LEU C A 50 SER N A 50 SER CA A 50 SER C 1.0 -112.9 -62.7 PHI 64 64 A 50 SER N A 50 SER CA A 50 SER C A 51 ASP N 1.0 -49.2 24.0 PSI 65 65 A 52 PRO C A 53 ASN N A 53 ASN CA A 53 ASN C 1.0 -108.1 -49.9 PHI 66 66 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 LEU N 1.0 -54.1 20.5 PSI 67 67 A 54 LEU C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -91.7 -51.7 PHI 68 68 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ILE N 1.0 -56.7 -16.7 PSI 69 69 A 55 VAL C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -117.7 -50.9 PHI 70 70 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 ARG N 1.0 -55.4 20.4 PSI 71 71 A 56 ILE C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -76.5 -36.5 PHI 72 72 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 LYS N 1.0 -64.1 -24.1 PSI 73 73 A 57 ARG C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -79.1 -39.1 PHI 74 74 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 ARG N 1.0 -58.1 -18.1 PSI 75 75 A 58 LYS C A 59 ARG N A 59 ARG CA A 59 ARG C 1.0 -92.0 -40.8 PHI 76 76 A 59 ARG N A 59 ARG CA A 59 ARG C A 60 LYS N 1.0 -59.6 -19.6 PSI 77 77 A 59 ARG C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -99.8 -36.8 PHI 78 78 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 VAL N 1.0 -77.7 -4.1 PSI 79 79 A 60 LYS C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -84.5 -44.5 PHI 80 80 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 GLY N 1.0 -62.3 -22.3 PSI 81 81 A 61 VAL C A 62 GLY N A 62 GLY CA A 62 GLY C 1.0 -83.2 -43.2 PHI 82 82 A 62 GLY N A 62 GLY CA A 62 GLY C A 63 VAL N 1.0 -60.3 -20.3 PSI 83 83 A 62 GLY C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -83.9 -43.9 PHI 84 84 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 LEU N 1.0 -68.2 -28.2 PSI 85 85 A 63 VAL C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -84.7 -44.7 PHI 86 86 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 LEU N 1.0 -64.1 -24.1 PSI 87 87 A 64 LEU C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -83.1 -43.1 PHI 88 88 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ASP N 1.0 -58.4 -18.4 PSI 89 89 A 65 LEU C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -84.6 -44.6 PHI 90 90 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 ILE N 1.0 -60.2 -20.2 PSI 91 91 A 66 ASP C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -83.3 -43.3 PHI 92 92 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 LEU N 1.0 -65.8 -25.8 PSI 93 93 A 67 ILE C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -81.0 -41.0 PHI 94 94 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 GLN N 1.0 -61.1 -21.1 PSI 95 95 A 68 LEU C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -83.9 -43.9 PHI 96 96 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 ARG N 1.0 -56.2 -16.2 PSI 97 97 A 69 GLN C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -100.5 -47.9 PHI 98 98 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 THR N 1.0 -64.1 -10.3 PSI 99 99 A 70 ARG C A 71 THR N A 71 THR CA A 71 THR C 1.0 -132.3 -58.1 PHI 100 100 A 71 THR N A 71 THR CA A 71 THR C A 72 GLY N 1.0 -44.1 10.9 PSI 101 101 A 73 HIS C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -79.8 -39.8 PHI 102 102 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 GLY N 1.0 -59.2 -9.2 PSI 103 103 A 74 LYS C A 75 GLY N A 75 GLY CA A 75 GLY C 1.0 -85.1 -45.1 PHI 104 104 A 75 GLY N A 75 GLY CA A 75 GLY C A 76 TYR N 1.0 -60.7 -20.7 PSI 105 105 A 75 GLY C A 76 TYR N A 76 TYR CA A 76 TYR C 1.0 -86.1 -46.1 PHI 106 106 A 76 TYR N A 76 TYR CA A 76 TYR C A 77 VAL N 1.0 -65.6 -25.6 PSI 107 107 A 76 TYR C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -81.6 -41.6 PHI 108 108 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ALA N 1.0 -65.2 -25.2 PSI 109 109 A 77 VAL C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -85.4 -45.4 PHI 110 110 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 PHE N 1.0 -66.6 -18.4 PSI 111 111 A 78 ALA C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -83.6 -43.6 PHI 112 112 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 LEU N 1.0 -59.3 -19.3 PSI 113 113 A 79 PHE C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -80.8 -40.8 PHI 114 114 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 GLU N 1.0 -62.8 -22.8 PSI 115 115 A 80 LEU C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -82.4 -42.4 PHI 116 116 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 SER N 1.0 -60.5 -20.5 PSI 117 117 A 81 GLU C A 82 SER N A 82 SER CA A 82 SER C 1.0 -82.6 -42.6 PHI 118 118 A 82 SER N A 82 SER CA A 82 SER C A 83 LEU N 1.0 -63.7 -23.7 PSI 119 119 A 82 SER C A 83 LEU N A 83 LEU CA A 83 LEU C 1.0 -99.9 -36.3 PHI 120 120 A 83 LEU N A 83 LEU CA A 83 LEU C A 84 GLU N 1.0 -71.9 0.9 PSI 121 121 A 83 LEU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -84.0 -44.0 PHI 122 122 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 LEU N 1.0 -60.3 -20.3 PSI 123 123 A 84 GLU C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -95.1 -41.7 PHI 124 124 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 TYR N 1.0 -53.9 -3.7 PSI 125 125 A 85 LEU C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -111.4 -67.8 PHI 126 126 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 TYR N 1.0 -50.2 33.2 PSI 127 127 A 88 PRO C A 89 GLN N A 89 GLN CA A 89 GLN C 1.0 -95.5 -44.1 PHI 128 128 A 89 GLN N A 89 GLN CA A 89 GLN C A 90 LEU N 1.0 -64.1 4.1 PSI 129 129 A 89 GLN C A 90 LEU N A 90 LEU CA A 90 LEU C 1.0 -86.1 -46.1 PHI 130 130 A 90 LEU N A 90 LEU CA A 90 LEU C A 91 TYR N 1.0 -63.8 -23.8 PSI 131 131 A 90 LEU C A 91 TYR N A 91 TYR CA A 91 TYR C 1.0 -80.0 -40.0 PHI 132 132 A 91 TYR N A 91 TYR CA A 91 TYR C A 92 LYS N 1.0 -60.5 -20.5 PSI 133 133 A 91 TYR C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -79.0 -39.0 PHI 134 134 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 LYS N 1.0 -66.2 -18.0 PSI 135 135 A 92 LYS C A 93 LYS N A 93 LYS CA A 93 LYS C 1.0 -94.2 -47.4 PHI 136 136 A 93 LYS N A 93 LYS CA A 93 LYS C A 94 VAL N 1.0 -61.1 -21.1 PSI 137 137 A 93 LYS C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -92.7 -42.5 PHI 138 138 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 THR N 1.0 -60.5 4.5 PSI 139 139 A 94 VAL C A 95 THR N A 95 THR CA A 95 THR C 1.0 -127.4 -81.2 PHI 140 140 A 95 THR N A 95 THR CA A 95 THR C A 96 GLY N 1.0 -43.9 29.1 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.0204 . aliased . . 2 ppm . . 28.0324 . aliased . . 3 ppm . . 13.0204 . aliased . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9505 . aliased . . 2 ppm . . 40.4797 . aliased . . 3 ppm . . 13.9505 . aliased . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 13.9505 . aliased . . 2 ppm . . 40.4797 . aliased . . 3 ppm . . 13.9505 . aliased . . stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 4.700 . aliased . . 2 ppm . . 125.000 . aliased . . 3 ppm . . 4.700 . aliased . . stop_ save_