data_nef_c26603_2ncn save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code SP Q9BXW4 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -1 GLY start . false 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 PRO middle . false 5 A 3 PRO middle . false 6 A 4 PRO middle . false 7 A 5 GLN middle . . 8 A 6 LYS middle . . 9 A 7 ILE middle . . 10 A 8 PRO middle . false 11 A 9 SER middle . . 12 A 10 VAL middle . . 13 A 11 ARG middle . . 14 A 12 PRO middle . false 15 A 13 PHE middle . . 16 A 14 LYS middle . . 17 A 15 GLN middle . . 18 A 16 ARG middle . . 19 A 17 LYS middle . . 20 A 18 SER middle . . 21 A 19 LEU middle . . 22 A 20 ALA middle . . 23 A 21 ILE middle . . 24 A 22 ARG middle . . 25 A 23 GLN middle . . 26 A 24 GLU middle . . 27 A 25 GLU middle . . 28 A 26 VAL middle . . 29 A 27 ALA middle . . 30 A 28 GLY middle . false 31 A 29 ILE middle . . 32 A 30 ARG middle . . 33 A 31 ALA middle . . 34 A 32 LYS middle . . 35 A 33 PHE middle . . 36 A 34 PRO middle . false 37 A 35 ASN middle . . 38 A 36 LYS middle . . 39 A 37 ILE middle . . 40 A 38 PRO middle . false 41 A 39 VAL middle . . 42 A 40 VAL middle . . 43 A 41 VAL middle . . 44 A 42 GLU middle . . 45 A 43 ARG middle . . 46 A 44 TYR middle . . 47 A 45 PRO middle . false 48 A 46 ARG middle . . 49 A 47 GLU middle . . 50 A 48 THR middle . . 51 A 49 PHE middle . . 52 A 50 LEU middle . . 53 A 51 PRO middle . false 54 A 52 PRO middle . false 55 A 53 LEU middle . . 56 A 54 ASP middle . . 57 A 55 LYS middle . . 58 A 56 THR middle . . 59 A 57 LYS middle . . 60 A 58 PHE middle . . 61 A 59 LEU middle . . 62 A 60 VAL middle . . 63 A 61 PRO middle . false 64 A 62 GLN middle . . 65 A 63 GLU middle . . 66 A 64 LEU middle . . 67 A 65 THR middle . . 68 A 66 MET middle . . 69 A 67 THR middle . . 70 A 68 GLN middle . . 71 A 69 PHE middle . . 72 A 70 LEU middle . . 73 A 71 SER middle . . 74 A 72 ILE middle . . 75 A 73 ILE middle . . 76 A 74 ARG middle . . 77 A 75 SER middle . . 78 A 76 ARG middle . . 79 A 77 MET middle . . 80 A 78 VAL middle . . 81 A 79 LEU middle . . 82 A 80 ARG middle . . 83 A 81 ALA middle . . 84 A 82 THR middle . . 85 A 83 GLU middle . . 86 A 84 ALA middle . . 87 A 85 PHE middle . . 88 A 86 TYR middle . . 89 A 87 LEU middle . . 90 A 88 LEU middle . . 91 A 89 VAL middle . . 92 A 90 ASN middle . . 93 A 91 ASN middle . . 94 A 92 LYS middle . . 95 A 93 SER middle . . 96 A 94 LEU middle . . 97 A 95 VAL middle . . 98 A 96 SER middle . . 99 A 97 MET middle . . 100 A 98 SER middle . . 101 A 99 ALA middle . . 102 A 100 THR middle . . 103 A 101 MET middle . . 104 A 102 ALA middle . . 105 A 103 GLU middle . . 106 A 104 ILE middle . . 107 A 105 TYR middle . . 108 A 106 ARG middle . . 109 A 107 ASP middle . . 110 A 108 TYR middle . . 111 A 109 LYS middle . . 112 A 110 ASP middle . . 113 A 111 GLU middle . . 114 A 112 ASP middle . . 115 A 113 GLY middle . false 116 A 114 PHE middle . . 117 A 115 VAL middle . . 118 A 116 TYR middle . . 119 A 117 MET middle . . 120 A 118 THR middle . . 121 A 119 TYR middle . . 122 A 120 ALA middle . . 123 A 121 SER middle . . 124 A 122 GLN middle . . 125 A 123 GLU middle . . 126 A 124 THR middle . . 127 A 125 PHE middle . . 128 A 126 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -1 GLY HAy H 1 4.114 0 A -1 GLY HAx H 1 4.11 0 A -1 GLY C C 13 170.287 0 A -1 GLY CA C 13 42.663 0 A 0 SER H H 1 8.68 0 A 0 SER HA H 1 4.529 0.006 A 0 SER HB2 H 1 3.872 0.005 A 0 SER HB3 H 1 3.872 0.005 A 0 SER C C 13 174.164 0 A 0 SER CA C 13 58.201 0.004 A 0 SER CB C 13 64.02 0 A 0 SER N N 15 115.77 0 A 1 MET H H 1 8.518 0.01 A 1 MET HA H 1 4.854 0.013 A 1 MET HBy H 1 2.036 0.034 A 1 MET HBx H 1 2.033 0.045 A 1 MET HE% H 1 1.99 0.002 A 1 MET HGy H 1 2.639 0.027 A 1 MET HGx H 1 2.615 0.005 A 1 MET CA C 13 53.266 0.03 A 1 MET CB C 13 32.445 0.033 A 1 MET CE C 13 16.783 0.049 A 1 MET CG C 13 32.151 0.152 A 1 MET N N 15 123.571 0.068 A 2 PRO HA H 1 5.015 0.001 A 2 PRO HBy H 1 2.498 0.013 A 2 PRO HBx H 1 2.117 0.022 A 2 PRO HGy H 1 1.964 0.028 A 2 PRO HGx H 1 1.913 0.044 A 2 PRO CA C 13 61.893 0.05 A 2 PRO CB C 13 33.004 0.142 A 2 PRO CG C 13 24.829 0.006 A 3 PRO HA H 1 4.727 0.001 A 3 PRO HBy H 1 2.37 0.006 A 3 PRO HBx H 1 1.914 0.003 A 3 PRO HDy H 1 3.932 0.032 A 3 PRO HDx H 1 3.674 0.016 A 3 PRO CA C 13 61.436 0.006 A 3 PRO CB C 13 30.79 0.042 A 3 PRO CD C 13 50.629 0.113 A 4 PRO HA H 1 4.419 0.006 A 4 PRO HBy H 1 2.314 0.01 A 4 PRO HBx H 1 1.912 0.005 A 4 PRO HDx H 1 3.655 0.013 A 4 PRO HDy H 1 3.839 0.009 A 4 PRO HGx H 1 2.05 0.004 A 4 PRO HGy H 1 2.051 0.004 A 4 PRO C C 13 176.938 0 A 4 PRO CA C 13 63.013 0.081 A 4 PRO CB C 13 32.088 0.056 A 4 PRO CD C 13 50.451 0.029 A 4 PRO CG C 13 27.378 0.041 A 5 GLN H H 1 8.444 0.004 A 5 GLN HA H 1 4.293 0.012 A 5 GLN HBy H 1 2.061 0.015 A 5 GLN HBx H 1 1.982 0.038 A 5 GLN HE21 H 1 7.611 0.003 A 5 GLN HE22 H 1 6.928 0.003 A 5 GLN HGx H 1 2.381 0.015 A 5 GLN HGy H 1 2.387 0.013 A 5 GLN C C 13 175.917 0 A 5 GLN CA C 13 55.499 0.137 A 5 GLN CB C 13 29.712 0.032 A 5 GLN CD C 13 177.72 0 A 5 GLN CG C 13 33.855 0.098 A 5 GLN N N 15 120.623 0.021 A 5 GLN NE2 N 15 112.859 0.078 A 6 LYS H H 1 8.428 0.008 A 6 LYS HA H 1 4.307 0.009 A 6 LYS HBy H 1 1.75 0.038 A 6 LYS HBx H 1 1.719 0.025 A 6 LYS HD2 H 1 1.692 0.002 A 6 LYS HD3 H 1 1.692 0.002 A 6 LYS HEy H 1 2.993 0.003 A 6 LYS HEx H 1 2.99 0.003 A 6 LYS HGy H 1 1.43 0.011 A 6 LYS HGx H 1 1.409 0.023 A 6 LYS C C 13 176.209 0 A 6 LYS CA C 13 56.233 0.098 A 6 LYS CB C 13 33.025 0.052 A 6 LYS CD C 13 29.64 0 A 6 LYS CE C 13 41.909 0.002 A 6 LYS CG C 13 24.802 0.011 A 6 LYS N N 15 123.399 0.055 A 7 ILE H H 1 8.303 0.01 A 7 ILE HA H 1 4.469 0.009 A 7 ILE HB H 1 1.874 0.008 A 7 ILE HD1% H 1 0.877 0.019 A 7 ILE HG1y H 1 1.51 0.006 A 7 ILE HG1x H 1 1.187 0.007 A 7 ILE HG2% H 1 0.952 0.014 A 7 ILE CA C 13 58.467 0.019 A 7 ILE CB C 13 38.616 0.029 A 7 ILE CD1 C 13 12.683 0.018 A 7 ILE CG1 C 13 27 0.1 A 7 ILE CG2 C 13 17.072 0.038 A 7 ILE N N 15 124.429 0.026 A 8 PRO HA H 1 4.44 0.005 A 8 PRO HBy H 1 2.322 0.009 A 8 PRO HBx H 1 1.916 0.01 A 8 PRO HDy H 1 3.897 0.013 A 8 PRO HDx H 1 3.711 0.015 A 8 PRO HGx H 1 2.024 0.008 A 8 PRO HGy H 1 2.031 0.01 A 8 PRO C C 13 176.738 0 A 8 PRO CA C 13 63.095 0.083 A 8 PRO CB C 13 32.152 0.065 A 8 PRO CD C 13 51.06 0.116 A 8 PRO CG C 13 27.425 0.04 A 9 SER H H 1 8.415 0.017 A 9 SER HA H 1 4.449 0.016 A 9 SER HBy H 1 3.864 0.012 A 9 SER HBx H 1 3.86 0.017 A 9 SER C C 13 174.445 0 A 9 SER CA C 13 58.226 0.008 A 9 SER CB C 13 63.761 0.014 A 9 SER N N 15 116.702 0.032 A 10 VAL H H 1 8.186 0.011 A 10 VAL HA H 1 4.205 0.013 A 10 VAL HB H 1 2.075 0.022 A 10 VAL HGx% H 1 0.951 0.008 A 10 VAL HGy% H 1 0.94 0.006 A 10 VAL C C 13 176.012 0 A 10 VAL CA C 13 61.73 0.032 A 10 VAL CB C 13 33.002 0.078 A 10 VAL CGy C 13 21.203 0.044 A 10 VAL CGx C 13 20.524 0.159 A 10 VAL N N 15 122.044 0.079 A 11 ARG H H 1 8.495 0.01 A 11 ARG HA H 1 4.579 0.011 A 11 ARG HBy H 1 1.706 0.027 A 11 ARG HBx H 1 1.691 0.014 A 11 ARG HDx H 1 3.178 0.014 A 11 ARG HDy H 1 3.186 0.008 A 11 ARG HE H 1 7.193 0.022 A 11 ARG HGy H 1 1.727 0.011 A 11 ARG HGx H 1 1.692 0.018 A 11 ARG CA C 13 54.276 0.019 A 11 ARG CB C 13 30.216 0.075 A 11 ARG CD C 13 43.387 0.092 A 11 ARG CG C 13 27.247 0.073 A 11 ARG N N 15 126.672 0.104 A 11 ARG NE N 15 84.573 0.07 A 12 PRO HA H 1 4.438 0.016 A 12 PRO HBx H 1 1.844 0.013 A 12 PRO HBy H 1 2.301 0.023 A 12 PRO HDx H 1 3.656 0.021 A 12 PRO HDy H 1 3.89 0.033 A 12 PRO HGx H 1 1.985 0.008 A 12 PRO HGy H 1 1.992 0.013 A 12 PRO C C 13 176.589 0 A 12 PRO CA C 13 63.045 0.138 A 12 PRO CB C 13 32.141 0.062 A 12 PRO CD C 13 50.757 0.025 A 12 PRO CG C 13 27.392 0.007 A 13 PHE H H 1 8.288 0.017 A 13 PHE HA H 1 4.575 0.015 A 13 PHE HBx H 1 3.11 0.012 A 13 PHE HBy H 1 3.12 0.012 A 13 PHE HD1 H 1 7.268 0.015 A 13 PHE HD2 H 1 7.268 0.015 A 13 PHE HE1 H 1 7.342 0.036 A 13 PHE HE2 H 1 7.342 0.036 A 13 PHE C C 13 175.633 0 A 13 PHE CA C 13 57.806 0.133 A 13 PHE CB C 13 39.657 0.086 A 13 PHE CD1 C 13 132.174 0 A 13 PHE CD2 C 13 132.174 0 A 13 PHE CE1 C 13 132.894 0.148 A 13 PHE CE2 C 13 132.894 0.148 A 13 PHE N N 15 121.053 0.069 A 14 LYS H H 1 8.175 0.019 A 14 LYS HA H 1 4.273 0.031 A 14 LYS HBy H 1 1.721 0.024 A 14 LYS HBx H 1 1.709 0.021 A 14 LYS HDx H 1 1.687 0.003 A 14 LYS HDy H 1 1.691 0.016 A 14 LYS HEy H 1 2.988 0 A 14 LYS HEx H 1 2.987 0 A 14 LYS HGy H 1 1.428 0.018 A 14 LYS HGx H 1 1.415 0.026 A 14 LYS C C 13 175.74 0 A 14 LYS CA C 13 56.112 0.039 A 14 LYS CB C 13 33.124 0.028 A 14 LYS CD C 13 28.972 0.001 A 14 LYS CE C 13 41.895 0 A 14 LYS CG C 13 25.259 0.009 A 14 LYS N N 15 123.505 0.058 A 15 GLN H H 1 8.341 0.012 A 15 GLN HA H 1 4.206 0.004 A 15 GLN HB2 H 1 2.142 0 A 15 GLN HB3 H 1 2.142 0 A 15 GLN HE21 H 1 6.834 0.013 A 15 GLN HE22 H 1 7.557 0.014 A 15 GLN HG2 H 1 2.086 0.022 A 15 GLN CA C 13 56.768 0 A 15 GLN CB C 13 29.489 0 A 15 GLN CG C 13 33.797 0 A 15 GLN N N 15 122.234 0 A 15 GLN NE2 N 15 112.069 0.038 A 17 LYS HA H 1 4.547 0.013 A 17 LYS HBx H 1 1.629 0.006 A 17 LYS HBy H 1 1.636 0.005 A 17 LYS HDx H 1 1.728 0 A 17 LYS HDy H 1 1.796 0.015 A 17 LYS HEx H 1 2.801 0.017 A 17 LYS HEy H 1 2.805 0.009 A 17 LYS HGy H 1 1.668 0 A 17 LYS HGx H 1 1.618 0.023 A 17 LYS C C 13 175.784 0 A 17 LYS CA C 13 54.704 0.042 A 17 LYS CB C 13 35.687 0.107 A 17 LYS CD C 13 29.419 0 A 17 LYS CE C 13 42.209 0.005 A 17 LYS CG C 13 25.92 0.001 A 18 SER H H 1 8.369 0.008 A 18 SER HA H 1 4.385 0.008 A 18 SER HBy H 1 4.282 0.015 A 18 SER HBx H 1 4.042 0.005 A 18 SER C C 13 174.142 0 A 18 SER CA C 13 57.764 0.029 A 18 SER CB C 13 64.351 0.071 A 18 SER N N 15 119.206 0.073 A 19 LEU H H 1 8.694 0.005 A 19 LEU HA H 1 4.044 0.013 A 19 LEU HBy H 1 1.688 0.035 A 19 LEU HBx H 1 1.673 0.042 A 19 LEU HDx% H 1 1.018 0.016 A 19 LEU HDy% H 1 0.898 0.031 A 19 LEU HG H 1 0.924 0.034 A 19 LEU C C 13 177.817 0 A 19 LEU CA C 13 58.743 0.032 A 19 LEU CB C 13 41.563 0.099 A 19 LEU CDy C 13 23.874 0.034 A 19 LEU CDx C 13 23.505 0.022 A 19 LEU CG C 13 27.943 0.051 A 19 LEU N N 15 123.949 0.052 A 20 ALA H H 1 8.381 0.012 A 20 ALA HA H 1 4.321 0.028 A 20 ALA HB% H 1 1.45 0.02 A 20 ALA C C 13 180.783 0 A 20 ALA CA C 13 54.967 0.131 A 20 ALA CB C 13 18.35 0.039 A 20 ALA N N 15 119.138 0.057 A 21 ILE H H 1 7.561 0.015 A 21 ILE HA H 1 3.925 0.012 A 21 ILE HB H 1 2.077 0.017 A 21 ILE HD1% H 1 0.934 0.02 A 21 ILE HG1y H 1 1.586 0.01 A 21 ILE HG1x H 1 1.307 0.017 A 21 ILE HG2% H 1 0.979 0.029 A 21 ILE C C 13 179.21 0 A 21 ILE CA C 13 63.647 0.064 A 21 ILE CB C 13 36.975 0.03 A 21 ILE CD1 C 13 12.023 0.066 A 21 ILE CG1 C 13 29.039 0.058 A 21 ILE CG2 C 13 17.775 0.072 A 21 ILE N N 15 119.475 0.055 A 22 ARG H H 1 8.415 0.012 A 22 ARG HA H 1 4.306 0.026 A 22 ARG HBy H 1 1.938 0.001 A 22 ARG HBx H 1 1.874 0.039 A 22 ARG HDx H 1 3.1 0.001 A 22 ARG HDy H 1 3.198 0.025 A 22 ARG HE H 1 7.164 0 A 22 ARG HGy H 1 1.648 0.032 A 22 ARG HGx H 1 1.61 0 A 22 ARG C C 13 177.879 0 A 22 ARG CA C 13 61.316 0 A 22 ARG CB C 13 31.357 0.144 A 22 ARG CD C 13 43.27 0.048 A 22 ARG CG C 13 27.222 0.086 A 22 ARG N N 15 122.766 0.135 A 22 ARG NE N 15 84.536 0.009 A 23 GLN H H 1 8.949 0.004 A 23 GLN HA H 1 4.357 0.015 A 23 GLN HBy H 1 1.994 0.034 A 23 GLN HBx H 1 1.969 0.013 A 23 GLN HE21 H 1 7.135 0.01 A 23 GLN HE22 H 1 7.001 0.004 A 23 GLN HGx H 1 2.498 0.008 A 23 GLN HGy H 1 2.52 0.009 A 23 GLN C C 13 179.876 0 A 23 GLN CA C 13 58.875 0.048 A 23 GLN CB C 13 28.375 0.113 A 23 GLN CG C 13 35.371 0.077 A 23 GLN N N 15 116.797 0.043 A 23 GLN NE2 N 15 110.85 0.035 A 24 GLU H H 1 8.118 0.015 A 24 GLU HA H 1 4.157 0.017 A 24 GLU HBx H 1 2.225 0.033 A 24 GLU HBy H 1 2.233 0.027 A 24 GLU HGy H 1 2.436 0.011 A 24 GLU HGx H 1 2.297 0.005 A 24 GLU C C 13 179.191 0 A 24 GLU CA C 13 58.923 0.061 A 24 GLU CB C 13 29.581 0.065 A 24 GLU CG C 13 36.268 0.054 A 24 GLU N N 15 121.505 0.055 A 25 GLU H H 1 8.395 0.009 A 25 GLU HA H 1 4.135 0.016 A 25 GLU HBy H 1 2.441 0.019 A 25 GLU HBx H 1 2.413 0.02 A 25 GLU HGy H 1 2.605 0.016 A 25 GLU HGx H 1 2.604 0.015 A 25 GLU C C 13 180.231 0 A 25 GLU CA C 13 59.716 0.008 A 25 GLU CB C 13 29.564 0.127 A 25 GLU CG C 13 36.51 0.076 A 25 GLU N N 15 122.949 0.082 A 26 VAL H H 1 8.261 0.009 A 26 VAL HA H 1 3.316 0.011 A 26 VAL HB H 1 1.954 0.016 A 26 VAL HGx% H 1 0.182 0.013 A 26 VAL HGy% H 1 0.83 0.016 A 26 VAL C C 13 177.386 0 A 26 VAL CA C 13 66.816 0 A 26 VAL CB C 13 31.214 0.027 A 26 VAL CGy C 13 22.904 0.049 A 26 VAL CGx C 13 21.548 0.046 A 26 VAL N N 15 121.127 0.09 A 27 ALA H H 1 8.239 0.009 A 27 ALA HA H 1 4.11 0.022 A 27 ALA HB% H 1 1.502 0.018 A 27 ALA C C 13 181.478 0 A 27 ALA CA C 13 55.152 0.017 A 27 ALA CB C 13 17.585 0.035 A 27 ALA N N 15 122.854 0.035 A 28 GLY H H 1 8.007 0.016 A 28 GLY HAy H 1 3.967 0.016 A 28 GLY HAx H 1 3.954 0.008 A 28 GLY C C 13 176.481 0 A 28 GLY CA C 13 46.803 0.079 A 28 GLY N N 15 105.771 0.079 A 29 ILE H H 1 7.967 0.01 A 29 ILE HA H 1 3.903 0.019 A 29 ILE HB H 1 1.956 0.019 A 29 ILE HD1% H 1 0.938 0.03 A 29 ILE HG1y H 1 1.253 0.05 A 29 ILE HG1x H 1 1.215 0.016 A 29 ILE HG2% H 1 0.983 0.02 A 29 ILE C C 13 177.774 0 A 29 ILE CA C 13 65.198 0.051 A 29 ILE CB C 13 38.77 0.062 A 29 ILE CD1 C 13 14.178 0.034 A 29 ILE CG1 C 13 27.516 0 A 29 ILE CG2 C 13 18.139 0.037 A 29 ILE N N 15 124.216 0.054 A 30 ARG H H 1 8.709 0.005 A 30 ARG HA H 1 4.009 0.03 A 30 ARG HBy H 1 1.861 0.018 A 30 ARG HBx H 1 1.857 0.01 A 30 ARG HDy H 1 3.3 0.028 A 30 ARG HDx H 1 3.131 0.011 A 30 ARG HE H 1 7.265 0.022 A 30 ARG HGy H 1 1.844 0.01 A 30 ARG HGx H 1 1.839 0 A 30 ARG C C 13 178.079 0 A 30 ARG CA C 13 57.614 0.067 A 30 ARG CB C 13 29.085 0.062 A 30 ARG CD C 13 42.253 0.029 A 30 ARG CG C 13 27.321 0.034 A 30 ARG N N 15 118.979 0.031 A 30 ARG NE N 15 83.897 0.067 A 31 ALA H H 1 7.445 0.015 A 31 ALA HA H 1 4.137 0.015 A 31 ALA HB% H 1 1.471 0.016 A 31 ALA C C 13 179.125 0 A 31 ALA CA C 13 53.868 0.002 A 31 ALA CB C 13 18.637 0.056 A 31 ALA N N 15 118.556 0.107 A 32 LYS H H 1 7.365 0.021 A 32 LYS HA H 1 3.921 0.019 A 32 LYS HBy H 1 1.473 0.011 A 32 LYS HBx H 1 1.121 0.006 A 32 LYS HDy H 1 1.487 0.004 A 32 LYS HDx H 1 1.486 0.003 A 32 LYS HEx H 1 2.841 0.008 A 32 LYS HEy H 1 2.852 0.005 A 32 LYS HGy H 1 1.119 0.006 A 32 LYS HGx H 1 0.78 0.004 A 32 LYS C C 13 176.353 0 A 32 LYS CA C 13 57.734 0.02 A 32 LYS CB C 13 34.044 0.053 A 32 LYS CD C 13 28.945 0.017 A 32 LYS CE C 13 41.792 0.042 A 32 LYS CG C 13 24.993 0.081 A 32 LYS N N 15 116.954 0.095 A 33 PHE H H 1 8.51 0.008 A 33 PHE HA H 1 5.218 0.021 A 33 PHE HBy H 1 3.008 0.023 A 33 PHE HBx H 1 2.848 0.014 A 33 PHE HD1 H 1 7.352 0.013 A 33 PHE HD2 H 1 7.352 0.013 A 33 PHE HE1 H 1 7.34 0.013 A 33 PHE HE2 H 1 7.34 0.013 A 33 PHE CA C 13 54.347 0.07 A 33 PHE CB C 13 39.057 0.019 A 33 PHE CD1 C 13 132.336 0.423 A 33 PHE CD2 C 13 132.336 0.423 A 33 PHE CE1 C 13 131.198 0.167 A 33 PHE CE2 C 13 131.198 0.167 A 33 PHE N N 15 116.864 0.062 A 34 PRO HA H 1 4.514 0.02 A 34 PRO HBy H 1 2.393 0.029 A 34 PRO HBx H 1 1.928 0.019 A 34 PRO HDy H 1 3.525 0.003 A 34 PRO HDx H 1 3.523 0 A 34 PRO HGx H 1 1.886 0.016 A 34 PRO HGy H 1 1.904 0.012 A 34 PRO C C 13 177.213 0 A 34 PRO CA C 13 64.657 0.003 A 34 PRO CB C 13 32.017 0.046 A 34 PRO CD C 13 50.212 0.003 A 34 PRO CG C 13 27.295 0.106 A 35 ASN H H 1 8.442 0.004 A 35 ASN HA H 1 4.801 0.017 A 35 ASN HBx H 1 3 0.011 A 35 ASN HBy H 1 3.001 0.013 A 35 ASN HD21 H 1 7.087 0.001 A 35 ASN HD22 H 1 7.641 0.001 A 35 ASN C C 13 174.802 0 A 35 ASN CA C 13 52.734 0.068 A 35 ASN CB C 13 38.478 0.059 A 35 ASN CG C 13 177.74 0 A 35 ASN N N 15 114.231 0 A 35 ASN ND2 N 15 113.64 0.036 A 36 LYS H H 1 7.559 0.007 A 36 LYS HA H 1 4.762 0.011 A 36 LYS HBx H 1 1.614 0.024 A 36 LYS HBy H 1 1.635 0.034 A 36 LYS HDy H 1 1.232 0.024 A 36 LYS HDx H 1 1.041 0.032 A 36 LYS HEy H 1 2.823 0.012 A 36 LYS HEx H 1 2.817 0.004 A 36 LYS HGy H 1 1.365 0.03 A 36 LYS HGx H 1 1.081 0.024 A 36 LYS C C 13 174.334 0 A 36 LYS CA C 13 54.234 0 A 36 LYS CB C 13 35.578 0.099 A 36 LYS CD C 13 29.099 0.117 A 36 LYS CE C 13 42.173 0.053 A 36 LYS CG C 13 26.03 0.045 A 36 LYS N N 15 117.946 0.055 A 37 ILE H H 1 9.306 0.006 A 37 ILE HA H 1 4.138 0.032 A 37 ILE HB H 1 1.659 0.026 A 37 ILE HD1% H 1 0.287 0.016 A 37 ILE HG1y H 1 1.102 0.036 A 37 ILE HG1x H 1 0.898 0.02 A 37 ILE HG2% H 1 0.489 0.015 A 37 ILE CA C 13 54.535 0.103 A 37 ILE CB C 13 38.277 0.165 A 37 ILE CD1 C 13 9.767 0.038 A 37 ILE CG1 C 13 27.167 0.043 A 37 ILE CG2 C 13 16.608 0.023 A 37 ILE N N 15 122.354 0.062 A 38 PRO HA H 1 5.126 0.021 A 38 PRO HBx H 1 1.715 0.027 A 38 PRO HBy H 1 2.223 0.018 A 38 PRO HDx H 1 3.563 0.032 A 38 PRO HDy H 1 3.568 0.038 A 38 PRO HGy H 1 1.92 0.013 A 38 PRO HGx H 1 1.918 0.023 A 38 PRO C C 13 174.09 0 A 38 PRO CA C 13 61.423 0.055 A 38 PRO CB C 13 31.083 0.03 A 38 PRO CD C 13 50.222 0.076 A 38 PRO CG C 13 27.301 0.024 A 39 VAL H H 1 8.968 0.009 A 39 VAL HA H 1 5 0.016 A 39 VAL HB H 1 1.919 0.014 A 39 VAL HGx% H 1 0.928 0.013 A 39 VAL HGy% H 1 0.601 0.01 A 39 VAL C C 13 174.884 0 A 39 VAL CA C 13 60.089 0.013 A 39 VAL CB C 13 35.772 0.127 A 39 VAL CGy C 13 22.348 0.054 A 39 VAL CGx C 13 21.738 0.037 A 39 VAL N N 15 125.804 0.058 A 40 VAL H H 1 8.947 0.007 A 40 VAL HA H 1 4.672 0.025 A 40 VAL HB H 1 1.292 0.015 A 40 VAL HGx% H 1 0.604 0.017 A 40 VAL HGy% H 1 -0.362 0.024 A 40 VAL C C 13 175.85 0 A 40 VAL CA C 13 61.071 0.053 A 40 VAL CB C 13 33.189 0.002 A 40 VAL CGy C 13 20.885 0.025 A 40 VAL CGx C 13 20.56 0.031 A 40 VAL N N 15 128.916 0.048 A 41 VAL H H 1 9.187 0.006 A 41 VAL HA H 1 4.963 0.02 A 41 VAL HB H 1 2.103 0.023 A 41 VAL HGx% H 1 0.897 0.024 A 41 VAL HGy% H 1 0.887 0.018 A 41 VAL C C 13 174.856 0 A 41 VAL CA C 13 60.858 0.004 A 41 VAL CB C 13 33.448 0 A 41 VAL CGy C 13 22.369 0.028 A 41 VAL CGx C 13 21.346 0.083 A 41 VAL N N 15 126.993 0.043 A 42 GLU H H 1 8.302 0.008 A 42 GLU HA H 1 4.842 0.016 A 42 GLU HBy H 1 2.228 0.012 A 42 GLU HBx H 1 1.942 0 A 42 GLU HGx H 1 2.301 0.006 A 42 GLU HGy H 1 2.305 0.003 A 42 GLU C C 13 174.17 0 A 42 GLU CA C 13 53.861 0.121 A 42 GLU CB C 13 35.4 0 A 42 GLU CG C 13 38.343 0.005 A 42 GLU N N 15 122.216 0.118 A 43 ARG H H 1 8.66 0.01 A 43 ARG HA H 1 4.207 0.016 A 43 ARG HBy H 1 1.813 0.027 A 43 ARG HBx H 1 1.754 0.036 A 43 ARG HDy H 1 3.072 0.007 A 43 ARG HDx H 1 2.821 0.012 A 43 ARG HE H 1 7.043 0.013 A 43 ARG HGx H 1 1.571 0.005 A 43 ARG HGy H 1 1.579 0.01 A 43 ARG C C 13 176.128 0 A 43 ARG CA C 13 57.304 0.007 A 43 ARG CB C 13 31.641 0.019 A 43 ARG CD C 13 44.385 0.029 A 43 ARG CG C 13 27.854 0 A 43 ARG N N 15 122.953 0.13 A 43 ARG NE N 15 83.602 0.034 A 44 TYR H H 1 8.761 0.013 A 44 TYR HA H 1 4.43 0.013 A 44 TYR HBy H 1 3.113 0.028 A 44 TYR HBx H 1 2.748 0.035 A 44 TYR HD1 H 1 7.04 0.017 A 44 TYR HD2 H 1 7.04 0.017 A 44 TYR HE1 H 1 6.587 0.024 A 44 TYR HE2 H 1 6.587 0.024 A 44 TYR CA C 13 56.827 0.02 A 44 TYR CB C 13 40.117 0.088 A 44 TYR CD1 C 13 132.912 0.173 A 44 TYR CD2 C 13 132.912 0.173 A 44 TYR CE1 C 13 118.551 0.064 A 44 TYR CE2 C 13 118.551 0.064 A 44 TYR N N 15 129.814 0.092 A 45 PRO HA H 1 4.435 0.005 A 45 PRO HB2 H 1 2.315 0.007 A 45 PRO HG2 H 1 1.999 0.002 A 45 PRO CA C 13 63.698 0.01 A 45 PRO CB C 13 32.74 0.005 A 45 PRO CG C 13 27.841 0 A 46 ARG H H 1 5.496 0.013 A 46 ARG HA H 1 4.322 0.009 A 46 ARG HBx H 1 1.853 0.017 A 46 ARG HBy H 1 1.865 0.001 A 46 ARG HDx H 1 3.165 0.006 A 46 ARG HDy H 1 3.168 0.008 A 46 ARG HE H 1 7.235 0.002 A 46 ARG HGy H 1 1.489 0.03 A 46 ARG HGx H 1 1.44 0.004 A 46 ARG C C 13 176.84 0 A 46 ARG CA C 13 54.907 0.072 A 46 ARG CB C 13 30.69 0 A 46 ARG CD C 13 42.952 0.084 A 46 ARG CG C 13 27.25 0.037 A 46 ARG N N 15 110.832 0.071 A 46 ARG NE N 15 83.972 0.022 A 47 GLU H H 1 7.891 0.007 A 47 GLU HA H 1 4.48 0.012 A 47 GLU HBx H 1 2.303 0.026 A 47 GLU HBy H 1 2.315 0.023 A 47 GLU HGx H 1 2.28 0.013 A 47 GLU HGy H 1 2.539 0.031 A 47 GLU C C 13 176.628 0 A 47 GLU CA C 13 56.406 0.011 A 47 GLU CB C 13 31.095 0.29 A 47 GLU CG C 13 36.558 0.164 A 47 GLU N N 15 122.214 0.057 A 48 THR H H 1 8.891 0.009 A 48 THR HA H 1 4.619 0.005 A 48 THR HB H 1 4.302 0.011 A 48 THR HG2% H 1 1.121 0.004 A 48 THR C C 13 174.823 0 A 48 THR CA C 13 61.351 0.016 A 48 THR CB C 13 70.425 0.015 A 48 THR CG2 C 13 21.403 0.003 A 48 THR N N 15 116.167 0.055 A 49 PHE H H 1 8.229 0.011 A 49 PHE HA H 1 4.677 0.014 A 49 PHE HBx H 1 3.282 0.014 A 49 PHE HBy H 1 3.312 0.022 A 49 PHE HD1 H 1 7.368 0.028 A 49 PHE HD2 H 1 7.368 0.028 A 49 PHE HE1 H 1 7.369 0.005 A 49 PHE HE2 H 1 7.369 0.005 A 49 PHE C C 13 177.087 0 A 49 PHE CA C 13 60.091 0.013 A 49 PHE CB C 13 40.087 0.049 A 49 PHE CD1 C 13 132.141 0.464 A 49 PHE CD2 C 13 132.141 0.464 A 49 PHE CE1 C 13 134.09 0 A 49 PHE CE2 C 13 134.09 0 A 49 PHE N N 15 124.6 0.064 A 50 LEU H H 1 9.545 0.012 A 50 LEU HA H 1 4.42 0.029 A 50 LEU HBy H 1 1.619 0.019 A 50 LEU HBx H 1 1.596 0.015 A 50 LEU HDx% H 1 0.938 0.03 A 50 LEU HDy% H 1 1.112 0.01 A 50 LEU HG H 1 0.965 0.011 A 50 LEU CA C 13 52.972 0.041 A 50 LEU CB C 13 42.346 0.001 A 50 LEU CDy C 13 24.83 0.118 A 50 LEU CDx C 13 23.111 0.041 A 50 LEU CG C 13 27.966 0.047 A 50 LEU N N 15 122.607 0.091 A 51 PRO HA H 1 4.469 0.035 A 51 PRO HBy H 1 2.511 0.007 A 51 PRO HBx H 1 1.866 0.019 A 51 PRO HDx H 1 3.525 0.011 A 51 PRO HDy H 1 3.877 0.034 A 51 PRO HGx H 1 1.993 0.011 A 51 PRO HGy H 1 2.01 0 A 51 PRO CA C 13 63.124 0.067 A 51 PRO CB C 13 32.643 0.106 A 51 PRO CD C 13 50.852 0.104 A 51 PRO CG C 13 27.855 0.051 A 52 PRO HA H 1 4.588 0.012 A 52 PRO HBy H 1 2.261 0.031 A 52 PRO HBx H 1 2.019 0.02 A 52 PRO HDx H 1 3.627 0.036 A 52 PRO HDy H 1 3.652 0.035 A 52 PRO HGy H 1 1.797 0.032 A 52 PRO HGx H 1 1.618 0.041 A 52 PRO C C 13 175.358 0 A 52 PRO CA C 13 62.587 0.041 A 52 PRO CB C 13 32.131 0.114 A 52 PRO CD C 13 49.149 0 A 52 PRO CG C 13 27.375 0.096 A 53 LEU H H 1 8.008 0.011 A 53 LEU HA H 1 4.629 0.013 A 53 LEU HBy H 1 1.96 0.012 A 53 LEU HBx H 1 1.8 0.017 A 53 LEU HDx% H 1 0.984 0.015 A 53 LEU HDy% H 1 0.866 0.013 A 53 LEU HG H 1 1.796 0.041 A 53 LEU C C 13 177.142 0 A 53 LEU CA C 13 53.729 0.146 A 53 LEU CB C 13 44.32 0.053 A 53 LEU CDy C 13 25.052 0.112 A 53 LEU CDx C 13 24.814 0.058 A 53 LEU CG C 13 26.57 0 A 53 LEU N N 15 122.799 0.105 A 54 ASP H H 1 8.628 0.015 A 54 ASP HA H 1 4.445 0.012 A 54 ASP HBy H 1 2.851 0.018 A 54 ASP HBx H 1 2.702 0.02 A 54 ASP C C 13 175.5 0 A 54 ASP CA C 13 54.76 0.008 A 54 ASP CB C 13 40.382 0.011 A 54 ASP N N 15 121.575 0.083 A 55 LYS H H 1 7.336 0.005 A 55 LYS HA H 1 4.477 0.016 A 55 LYS HBx H 1 1.54 0.016 A 55 LYS HBy H 1 1.549 0.009 A 55 LYS HDy H 1 1.41 0.01 A 55 LYS HDx H 1 1.292 0.019 A 55 LYS HEy H 1 2.534 0.008 A 55 LYS HEx H 1 2.531 0.008 A 55 LYS HGx H 1 0.823 0.015 A 55 LYS HGy H 1 1.12 0.006 A 55 LYS C C 13 174.443 0 A 55 LYS CA C 13 55.606 0.024 A 55 LYS CB C 13 34.784 0.029 A 55 LYS CD C 13 29.201 0.026 A 55 LYS CE C 13 41.779 0.023 A 55 LYS CG C 13 24.033 0.192 A 55 LYS N N 15 120.394 0.025 A 56 THR H H 1 8.047 0.012 A 56 THR HA H 1 4.776 0.01 A 56 THR HB H 1 4.246 0.011 A 56 THR HG2% H 1 1.277 0.017 A 56 THR C C 13 172.983 0 A 56 THR CA C 13 62.657 0.073 A 56 THR CB C 13 71.001 0.028 A 56 THR CG2 C 13 22.68 0.066 A 56 THR N N 15 114.418 0.047 A 57 LYS H H 1 7.498 0.01 A 57 LYS HA H 1 5.062 0.01 A 57 LYS HBx H 1 1.603 0.007 A 57 LYS HBy H 1 1.606 0.013 A 57 LYS HDx H 1 1.713 0.015 A 57 LYS HDy H 1 1.713 0.015 A 57 LYS HEx H 1 2.81 0.017 A 57 LYS HEy H 1 2.818 0.014 A 57 LYS HGy H 1 1.269 0.028 A 57 LYS HGx H 1 1.059 0.01 A 57 LYS C C 13 175.744 0 A 57 LYS CA C 13 55.362 0.056 A 57 LYS CB C 13 33.671 0.025 A 57 LYS CD C 13 29.652 0 A 57 LYS CE C 13 41.05 0.061 A 57 LYS CG C 13 24.9 0.105 A 57 LYS N N 15 120.799 0.06 A 58 PHE H H 1 9.825 0.008 A 58 PHE HA H 1 4.651 0.017 A 58 PHE HBy H 1 2.906 0.011 A 58 PHE HBx H 1 2.897 0.024 A 58 PHE HD1 H 1 7.308 0.016 A 58 PHE HD2 H 1 7.308 0.016 A 58 PHE HE1 H 1 7.083 0.015 A 58 PHE HE2 H 1 7.083 0.015 A 58 PHE C C 13 173.751 0 A 58 PHE CA C 13 56.636 0.017 A 58 PHE CB C 13 42.009 0.046 A 58 PHE CD1 C 13 132.698 0.224 A 58 PHE CD2 C 13 132.698 0.224 A 58 PHE CE1 C 13 130.565 0.439 A 58 PHE CE2 C 13 130.565 0.439 A 58 PHE N N 15 124.472 0.048 A 59 LEU H H 1 8.641 0.015 A 59 LEU HA H 1 4.941 0.013 A 59 LEU HBy H 1 1.562 0.014 A 59 LEU HBx H 1 1.013 0.019 A 59 LEU HDx% H 1 0.641 0.021 A 59 LEU HDy% H 1 0.59 0.019 A 59 LEU HG H 1 1.352 0.003 A 59 LEU C C 13 176.573 0 A 59 LEU CA C 13 53.343 0.032 A 59 LEU CB C 13 41.98 0.05 A 59 LEU CDx C 13 24.728 0.066 A 59 LEU CDy C 13 24.747 0.041 A 59 LEU CG C 13 27.268 0.04 A 59 LEU N N 15 124.403 0.05 A 60 VAL H H 1 8.631 0.007 A 60 VAL HA H 1 4.77 0.017 A 60 VAL HB H 1 1.869 0.023 A 60 VAL HGx% H 1 0.88 0.009 A 60 VAL HGy% H 1 0.576 0.011 A 60 VAL C C 13 176.573 0 A 60 VAL CA C 13 58.87 0.002 A 60 VAL CB C 13 34.299 0.113 A 60 VAL CGy C 13 22.366 0.186 A 60 VAL CGx C 13 21.136 0.139 A 60 VAL N N 15 122.58 0.073 A 61 PRO HA H 1 4.423 0.018 A 61 PRO HBy H 1 1.47 0.027 A 61 PRO HBx H 1 1.36 0.052 A 61 PRO HDy H 1 4.077 0.014 A 61 PRO HDx H 1 3.575 0.009 A 61 PRO HGy H 1 1.924 0.031 A 61 PRO HGx H 1 1.895 0.032 A 61 PRO C C 13 177.586 0 A 61 PRO CA C 13 64.084 0.068 A 61 PRO CB C 13 32.62 0 A 61 PRO CD C 13 51.417 0.065 A 61 PRO CG C 13 29.165 0.088 A 62 GLN H H 1 8.036 0.014 A 62 GLN HA H 1 3.843 0.018 A 62 GLN HBx H 1 1.999 0.023 A 62 GLN HBy H 1 2.006 0.023 A 62 GLN HE21 H 1 6.823 0.002 A 62 GLN HE22 H 1 7.483 0.003 A 62 GLN HGy H 1 2.498 0.015 A 62 GLN HGx H 1 2.482 0.032 A 62 GLN C C 13 177.586 0 A 62 GLN CA C 13 58.51 0 A 62 GLN CB C 13 28.135 0.03 A 62 GLN CG C 13 32.239 0.019 A 62 GLN N N 15 120.356 0.077 A 62 GLN NE2 N 15 110.638 0.035 A 63 GLU H H 1 9.191 0.007 A 63 GLU HA H 1 4.351 0.013 A 63 GLU HBy H 1 2.106 0.023 A 63 GLU HBx H 1 2.088 0.02 A 63 GLU HGy H 1 2.565 0.032 A 63 GLU HGx H 1 2.334 0.025 A 63 GLU C C 13 177.177 0 A 63 GLU CA C 13 56.862 0.093 A 63 GLU CB C 13 28.75 0.007 A 63 GLU CG C 13 36.132 0.116 A 63 GLU N N 15 116.058 0.029 A 64 LEU H H 1 7.421 0.011 A 64 LEU HA H 1 4.288 0.025 A 64 LEU HBy H 1 1.625 0.021 A 64 LEU HBx H 1 1.599 0.021 A 64 LEU HDx% H 1 0.877 0.021 A 64 LEU HDy% H 1 0.916 0.026 A 64 LEU HG H 1 1.974 0.013 A 64 LEU C C 13 176.877 0 A 64 LEU CA C 13 55.688 0.126 A 64 LEU CB C 13 42.816 0.059 A 64 LEU CDx C 13 24.812 0.049 A 64 LEU CDy C 13 25.631 0.078 A 64 LEU CG C 13 27.096 0.126 A 64 LEU N N 15 122.162 0.053 A 65 THR H H 1 8.557 0.006 A 65 THR HA H 1 5.074 0.014 A 65 THR HB H 1 4.617 0.015 A 65 THR HG1 H 1 5.559 0.004 A 65 THR HG2% H 1 1.286 0.018 A 65 THR C C 13 177.057 0 A 65 THR CA C 13 60.162 0.029 A 65 THR CB C 13 72.101 0.013 A 65 THR CG2 C 13 22.06 0.079 A 65 THR N N 15 112.124 0.066 A 66 MET H H 1 8.549 0.011 A 66 MET HA H 1 4.588 0.012 A 66 MET HBx H 1 2.09 0.013 A 66 MET HBy H 1 2.107 0.018 A 66 MET HE% H 1 1.981 0.014 A 66 MET HGx H 1 2.464 0.026 A 66 MET HGy H 1 2.769 0.022 A 66 MET C C 13 179.046 0 A 66 MET CA C 13 57.484 0.069 A 66 MET CB C 13 31.933 0.05 A 66 MET CE C 13 17.502 0.012 A 66 MET CG C 13 33.201 0.037 A 66 MET N N 15 120.725 0.071 A 67 THR H H 1 8.191 0.009 A 67 THR HA H 1 3.916 0.014 A 67 THR HB H 1 4.077 0.007 A 67 THR HG2% H 1 1.226 0.018 A 67 THR C C 13 176.77 0 A 67 THR CA C 13 67.114 0.052 A 67 THR CB C 13 69.09 0.072 A 67 THR CG2 C 13 21.622 0.034 A 67 THR N N 15 115.44 0.062 A 68 GLN H H 1 7.632 0.008 A 68 GLN HA H 1 4.145 0.026 A 68 GLN HBy H 1 2.06 0.02 A 68 GLN HBx H 1 2.035 0.037 A 68 GLN HE21 H 1 7.57 0.004 A 68 GLN HE22 H 1 6.837 0.02 A 68 GLN HGy H 1 2.45 0.036 A 68 GLN HGx H 1 2.439 0.028 A 68 GLN C C 13 179.625 0 A 68 GLN CA C 13 58.817 0.084 A 68 GLN CB C 13 28.785 0.167 A 68 GLN CG C 13 34.927 0.1 A 68 GLN N N 15 121.722 0.065 A 68 GLN NE2 N 15 111.752 0.155 A 69 PHE H H 1 9.012 0.004 A 69 PHE HA H 1 4.454 0.024 A 69 PHE HBx H 1 3.194 0.026 A 69 PHE HBy H 1 3.22 0.023 A 69 PHE HD1 H 1 6.969 0.021 A 69 PHE HD2 H 1 6.969 0.021 A 69 PHE HE1 H 1 6.961 0.023 A 69 PHE HE2 H 1 6.961 0.023 A 69 PHE C C 13 176.829 0 A 69 PHE CA C 13 59.888 0.02 A 69 PHE CB C 13 38.36 0.009 A 69 PHE CD1 C 13 131.128 0.192 A 69 PHE CD2 C 13 131.128 0.192 A 69 PHE CE1 C 13 130.985 0.137 A 69 PHE CE2 C 13 130.985 0.137 A 69 PHE N N 15 122.751 0.021 A 70 LEU H H 1 8.756 0.01 A 70 LEU HA H 1 3.607 0.019 A 70 LEU HBy H 1 1.718 0.018 A 70 LEU HBx H 1 1.711 0.019 A 70 LEU HDx% H 1 0.799 0.016 A 70 LEU HDy% H 1 0.777 0.009 A 70 LEU HG H 1 1.588 0.006 A 70 LEU C C 13 178.577 0 A 70 LEU CA C 13 59.087 0.076 A 70 LEU CB C 13 41.656 0.119 A 70 LEU CDy C 13 25.874 0.04 A 70 LEU CDx C 13 25.179 0.064 A 70 LEU CG C 13 27.503 0.042 A 70 LEU N N 15 119.956 0.049 A 71 SER H H 1 7.259 0.009 A 71 SER HA H 1 4.028 0.029 A 71 SER HBx H 1 4.004 0 A 71 SER HBy H 1 4.02 0.021 A 71 SER C C 13 177.001 0 A 71 SER CA C 13 62.699 0.019 A 71 SER CB C 13 62.954 0.001 A 71 SER N N 15 112.049 0.06 A 72 ILE H H 1 7.463 0.016 A 72 ILE HA H 1 3.684 0.019 A 72 ILE HB H 1 2.079 0.015 A 72 ILE HD1% H 1 1.001 0.021 A 72 ILE HG1y H 1 1.209 0.04 A 72 ILE HG1x H 1 1.188 0.038 A 72 ILE HG2% H 1 0.938 0.024 A 72 ILE C C 13 179.014 0 A 72 ILE CA C 13 65.283 0 A 72 ILE CB C 13 38.032 0.095 A 72 ILE CD1 C 13 14.103 0.045 A 72 ILE CG1 C 13 29.207 0.037 A 72 ILE CG2 C 13 16.661 0.013 A 72 ILE N N 15 124.048 0.025 A 73 ILE H H 1 7.679 0.015 A 73 ILE HA H 1 3.264 0.028 A 73 ILE HB H 1 1.535 0.026 A 73 ILE HD1% H 1 -0.147 0.009 A 73 ILE HG1y H 1 0.414 0.027 A 73 ILE HG1x H 1 0.134 0.015 A 73 ILE HG2% H 1 0.397 0.019 A 73 ILE C C 13 177.824 0 A 73 ILE CA C 13 64.357 0.054 A 73 ILE CB C 13 36.687 0.086 A 73 ILE CD1 C 13 12.13 0.028 A 73 ILE CG1 C 13 26.986 0.069 A 73 ILE CG2 C 13 18.147 0.034 A 73 ILE N N 15 120.78 0.076 A 74 ARG H H 1 8.307 0.009 A 74 ARG HA H 1 3.378 0.013 A 74 ARG HBy H 1 1.618 0.016 A 74 ARG HBx H 1 1.608 0.02 A 74 ARG HDx H 1 2.974 0.02 A 74 ARG HDy H 1 2.982 0.021 A 74 ARG HE H 1 7.191 0.005 A 74 ARG HGy H 1 1.383 0.01 A 74 ARG HGx H 1 1.106 0.019 A 74 ARG C C 13 178.834 0 A 74 ARG CA C 13 59.753 0.05 A 74 ARG CB C 13 30.168 0.006 A 74 ARG CD C 13 43.25 0.057 A 74 ARG CG C 13 28.229 0.011 A 74 ARG N N 15 117.67 0.079 A 74 ARG NE N 15 83.312 0.091 A 75 SER H H 1 7.677 0.011 A 75 SER HA H 1 4.29 0.006 A 75 SER HBx H 1 4.013 0.008 A 75 SER HBy H 1 4.02 0.006 A 75 SER C C 13 175.923 0 A 75 SER CA C 13 61.085 0.066 A 75 SER CB C 13 62.941 0.041 A 75 SER N N 15 112.515 0.065 A 76 ARG H H 1 7.667 0.01 A 76 ARG HA H 1 4.296 0.019 A 76 ARG HBy H 1 1.968 0.021 A 76 ARG HBx H 1 1.855 0.029 A 76 ARG HDy H 1 3.293 0.017 A 76 ARG HDx H 1 3.28 0.002 A 76 ARG HE H 1 7.075 0 A 76 ARG HGy H 1 1.828 0.017 A 76 ARG HGx H 1 1.704 0.035 A 76 ARG C C 13 176.548 0 A 76 ARG CA C 13 56.856 0.023 A 76 ARG CB C 13 30.709 0.044 A 76 ARG CD C 13 42.577 0.016 A 76 ARG CG C 13 27.357 0.068 A 76 ARG N N 15 120.841 0.019 A 77 MET H H 1 7.613 0.023 A 77 MET HA H 1 4.335 0.016 A 77 MET HBy H 1 1.95 0.015 A 77 MET HBx H 1 1.783 0.03 A 77 MET HE% H 1 1.405 0.009 A 77 MET HGy H 1 2.239 0.003 A 77 MET HGx H 1 2.231 0.027 A 77 MET C C 13 175.201 0 A 77 MET CA C 13 55.762 0.052 A 77 MET CB C 13 34.683 0.002 A 77 MET CE C 13 17.534 0.023 A 77 MET CG C 13 33.122 0 A 77 MET N N 15 117.899 0.106 A 78 VAL H H 1 8.029 0.014 A 78 VAL HA H 1 3.785 0.013 A 78 VAL HB H 1 2.256 0.006 A 78 VAL HGx% H 1 0.935 0.01 A 78 VAL HGy% H 1 0.892 0.014 A 78 VAL C C 13 175.226 0 A 78 VAL CA C 13 62.971 0.008 A 78 VAL CB C 13 30.45 0.003 A 78 VAL CGy C 13 22.151 0.09 A 78 VAL CGx C 13 20.686 0.002 A 78 VAL N N 15 119.265 0.067 A 79 LEU H H 1 7.622 0.006 A 79 LEU HA H 1 4.522 0.009 A 79 LEU HBy H 1 1.499 0.017 A 79 LEU HBx H 1 1.422 0.025 A 79 LEU HDx% H 1 0.778 0.023 A 79 LEU HDy% H 1 0.821 0.009 A 79 LEU HG H 1 1.509 0.025 A 79 LEU C C 13 177.395 0 A 79 LEU CA C 13 53.698 0.028 A 79 LEU CB C 13 44.173 0.014 A 79 LEU CDy C 13 25.676 0.025 A 79 LEU CDx C 13 23.798 0.017 A 79 LEU CG C 13 23.801 0.009 A 79 LEU N N 15 121.827 0.03 A 80 ARG H H 1 8.903 0.007 A 80 ARG HA H 1 4.284 0.022 A 80 ARG HBy H 1 1.76 0.021 A 80 ARG HBx H 1 1.755 0.04 A 80 ARG HDy H 1 3.18 0.007 A 80 ARG HDx H 1 3.175 0.008 A 80 ARG HE H 1 7.248 0.026 A 80 ARG HGy H 1 1.745 0.007 A 80 ARG HGx H 1 1.728 0.024 A 80 ARG C C 13 177.493 0 A 80 ARG CA C 13 56.564 0.002 A 80 ARG CB C 13 30.764 0.036 A 80 ARG CD C 13 43.432 0.044 A 80 ARG CG C 13 27.586 0.113 A 80 ARG N N 15 122.33 0.053 A 80 ARG NE N 15 84.543 0.153 A 81 ALA H H 1 8.602 0.011 A 81 ALA HA H 1 4.197 0.014 A 81 ALA HB% H 1 1.454 0.01 A 81 ALA C C 13 178.089 0 A 81 ALA CA C 13 53.921 0.001 A 81 ALA CB C 13 19.102 0.097 A 81 ALA N N 15 124.531 0.046 A 82 THR H H 1 7.557 0.008 A 82 THR HA H 1 4.24 0.019 A 82 THR HB H 1 4.431 0.001 A 82 THR HG2% H 1 1.2 0.01 A 82 THR C C 13 174.872 0 A 82 THR CA C 13 61.31 0.029 A 82 THR CB C 13 68.999 0.004 A 82 THR CG2 C 13 21.73 0.044 A 82 THR N N 15 106.115 0.059 A 83 GLU H H 1 7.839 0.01 A 83 GLU HA H 1 4.311 0.011 A 83 GLU HBy H 1 2.102 0.009 A 83 GLU HBx H 1 2.092 0.014 A 83 GLU HGx H 1 2.362 0.006 A 83 GLU HGy H 1 2.368 0.011 A 83 GLU C C 13 175.85 0 A 83 GLU CA C 13 56.602 0.047 A 83 GLU CB C 13 30.463 0.013 A 83 GLU CG C 13 36.872 0.047 A 83 GLU N N 15 122.74 0.05 A 84 ALA H H 1 8.519 0.013 A 84 ALA HA H 1 4.194 0.012 A 84 ALA HB% H 1 1.405 0.012 A 84 ALA C C 13 175.784 0 A 84 ALA CA C 13 52.354 0.022 A 84 ALA CB C 13 19.783 0.031 A 84 ALA N N 15 127.064 0.067 A 85 PHE H H 1 7.392 0.013 A 85 PHE HA H 1 4.611 0.022 A 85 PHE HBy H 1 2.826 0.024 A 85 PHE HBx H 1 2.824 0.007 A 85 PHE HD1 H 1 6.946 0.018 A 85 PHE HD2 H 1 6.946 0.018 A 85 PHE HE1 H 1 6.797 0.019 A 85 PHE HE2 H 1 6.797 0.019 A 85 PHE C C 13 172.577 0 A 85 PHE CA C 13 57.889 0.018 A 85 PHE CB C 13 42.154 0.064 A 85 PHE CD1 C 13 131.276 0.295 A 85 PHE CD2 C 13 131.276 0.295 A 85 PHE CE1 C 13 131.25 0 A 85 PHE CE2 C 13 131.25 0 A 85 PHE N N 15 118.19 0.035 A 86 TYR H H 1 8.775 0.01 A 86 TYR HA H 1 4.646 0.017 A 86 TYR HBy H 1 2.853 0.017 A 86 TYR HBx H 1 2.837 0.024 A 86 TYR HD1 H 1 6.87 0.032 A 86 TYR HD2 H 1 6.87 0.032 A 86 TYR HE1 H 1 6.658 0.018 A 86 TYR HE2 H 1 6.658 0.018 A 86 TYR C C 13 174.006 0 A 86 TYR CA C 13 56.697 0.091 A 86 TYR CB C 13 40.946 0 A 86 TYR CD1 C 13 133.134 0.243 A 86 TYR CD2 C 13 133.134 0.243 A 86 TYR CE1 C 13 117.786 0.196 A 86 TYR CE2 C 13 117.786 0.196 A 86 TYR N N 15 123.354 0.087 A 87 LEU H H 1 8.451 0.006 A 87 LEU HA H 1 5.258 0.01 A 87 LEU HBx H 1 1.547 0.011 A 87 LEU HBy H 1 1.554 0.022 A 87 LEU HDx% H 1 0.89 0.003 A 87 LEU HDy% H 1 0.9 0.015 A 87 LEU HG H 1 1.579 0.018 A 87 LEU C C 13 175.336 0 A 87 LEU CA C 13 53.118 0.062 A 87 LEU CB C 13 45.151 0.067 A 87 LEU CDx C 13 24.805 0.022 A 87 LEU CDy C 13 25.692 0.051 A 87 LEU CG C 13 27.419 0.079 A 87 LEU N N 15 121.115 0.046 A 88 LEU H H 1 9.193 0.008 A 88 LEU HA H 1 4.805 0.017 A 88 LEU HBy H 1 1.781 0.029 A 88 LEU HBx H 1 0.978 0.031 A 88 LEU HDx% H 1 0.445 0.017 A 88 LEU HDy% H 1 0.453 0.009 A 88 LEU HG H 1 1.264 0.02 A 88 LEU C C 13 177.107 0 A 88 LEU CA C 13 53.858 0.067 A 88 LEU CB C 13 43.739 0.023 A 88 LEU CDx C 13 24.488 0.034 A 88 LEU CDy C 13 25.123 0.043 A 88 LEU CG C 13 27.788 0.026 A 88 LEU N N 15 123.332 0.089 A 89 VAL H H 1 8.771 0.01 A 89 VAL HA H 1 4.516 0.029 A 89 VAL HB H 1 1.64 0.02 A 89 VAL HGx% H 1 0.703 0.026 A 89 VAL HGy% H 1 0.642 0.021 A 89 VAL C C 13 176.609 0 A 89 VAL CA C 13 61.304 0.03 A 89 VAL CB C 13 33.39 0.044 A 89 VAL CGx C 13 21.253 0.044 A 89 VAL CGy C 13 21.577 0.07 A 89 VAL N N 15 120.572 0.067 A 90 ASN H H 1 9.555 0.008 A 90 ASN HA H 1 4.435 0.019 A 90 ASN HBx H 1 3.016 0.01 A 90 ASN HBy H 1 3.28 0.013 A 90 ASN HD21 H 1 7.774 0.002 A 90 ASN HD22 H 1 7.213 0.012 A 90 ASN C C 13 174.857 0 A 90 ASN CA C 13 54.738 0.063 A 90 ASN CB C 13 37.455 0.14 A 90 ASN CG C 13 177.97 0 A 90 ASN N N 15 126.175 0.051 A 90 ASN ND2 N 15 112.07 0.063 A 91 ASN H H 1 8.738 0.014 A 91 ASN HA H 1 4.204 0.012 A 91 ASN HBy H 1 3.17 0.018 A 91 ASN HBx H 1 2.954 0.008 A 91 ASN HD21 H 1 7.543 0.011 A 91 ASN HD22 H 1 6.832 0.004 A 91 ASN C C 13 173.997 0 A 91 ASN CA C 13 54.981 0.042 A 91 ASN CB C 13 38.343 0.054 A 91 ASN N N 15 109.89 0.092 A 91 ASN ND2 N 15 112.755 0.055 A 92 LYS H H 1 7.909 0.004 A 92 LYS HA H 1 4.649 0.012 A 92 LYS HBx H 1 1.895 0.012 A 92 LYS HBy H 1 1.904 0.009 A 92 LYS HDy H 1 1.768 0.007 A 92 LYS HDx H 1 1.749 0.032 A 92 LYS HEy H 1 3.085 0.003 A 92 LYS HEx H 1 3.065 0.034 A 92 LYS HGx H 1 1.515 0.01 A 92 LYS HGy H 1 1.516 0.015 A 92 LYS C C 13 175.311 0 A 92 LYS CA C 13 55.973 0.011 A 92 LYS CB C 13 35.43 0.107 A 92 LYS CD C 13 29.098 0.08 A 92 LYS CE C 13 42.091 0.016 A 92 LYS CG C 13 24.426 0.043 A 92 LYS N N 15 117.982 0.039 A 93 SER H H 1 8.455 0.012 A 93 SER HA H 1 4.673 0.013 A 93 SER HBx H 1 3.747 0.015 A 93 SER HBy H 1 3.75 0.021 A 93 SER C C 13 174.395 0 A 93 SER CA C 13 58.406 0.078 A 93 SER CB C 13 63.812 0.001 A 93 SER N N 15 117.108 0.069 A 94 LEU H H 1 8.672 0.004 A 94 LEU HA H 1 4.496 0.025 A 94 LEU HBy H 1 1.618 0.019 A 94 LEU HBx H 1 1.611 0.02 A 94 LEU HDx% H 1 0.896 0.023 A 94 LEU HDy% H 1 0.803 0.013 A 94 LEU HG H 1 1.627 0.013 A 94 LEU C C 13 177.624 0 A 94 LEU CA C 13 54.716 0.01 A 94 LEU CB C 13 41.882 0.041 A 94 LEU CDy C 13 25.805 0.056 A 94 LEU CDx C 13 23.857 0.047 A 94 LEU CG C 13 27.227 0.076 A 94 LEU N N 15 125.878 0.038 A 95 VAL H H 1 8.332 0.002 A 95 VAL HA H 1 4.106 0.021 A 95 VAL HB H 1 2.108 0.017 A 95 VAL HGx% H 1 0.93 0.008 A 95 VAL HGy% H 1 0.894 0.015 A 95 VAL C C 13 176.012 0 A 95 VAL CA C 13 62.319 0.068 A 95 VAL CB C 13 33.061 0.007 A 95 VAL CGx C 13 20.532 0.082 A 95 VAL CGy C 13 21.18 0.068 A 95 VAL N N 15 120.207 0.061 A 96 SER H H 1 8.155 0.019 A 96 SER HA H 1 4.59 0.006 A 96 SER HBy H 1 3.98 0.025 A 96 SER HBx H 1 3.883 0.027 A 96 SER C C 13 175.991 0 A 96 SER CA C 13 57.031 0.009 A 96 SER CB C 13 63.561 0.023 A 96 SER N N 15 115.383 0.068 A 97 MET H H 1 8.821 0.016 A 97 MET HA H 1 4.645 0.011 A 97 MET HBy H 1 2.295 0.023 A 97 MET HBx H 1 2.056 0.026 A 97 MET HE% H 1 2.092 0.01 A 97 MET HGy H 1 2.904 0.011 A 97 MET HGx H 1 2.642 0.012 A 97 MET C C 13 176.435 0 A 97 MET CA C 13 55.494 0.068 A 97 MET CB C 13 31.107 0 A 97 MET CE C 13 17.685 0.012 A 97 MET CG C 13 33.04 0.076 A 97 MET N N 15 124.856 0.083 A 98 SER H H 1 8.089 0.006 A 98 SER HA H 1 4.594 0.011 A 98 SER HBy H 1 3.984 0.027 A 98 SER HBx H 1 3.888 0.02 A 98 SER C C 13 174.112 0 A 98 SER CA C 13 57.884 0.057 A 98 SER CB C 13 63.567 0.024 A 98 SER N N 15 112.428 0.054 A 99 ALA H H 1 7.196 0.008 A 99 ALA HA H 1 4.39 0.02 A 99 ALA HB% H 1 1.5 0.017 A 99 ALA C C 13 176.949 0 A 99 ALA CA C 13 52.518 0.08 A 99 ALA CB C 13 19.745 0.009 A 99 ALA N N 15 124.958 0.022 A 100 THR H H 1 8.367 0.012 A 100 THR HA H 1 4.949 0.022 A 100 THR HB H 1 4.722 0.013 A 100 THR HG2% H 1 1.286 0.01 A 100 THR C C 13 176.739 0 A 100 THR CA C 13 60.088 0.064 A 100 THR CB C 13 71.551 0.004 A 100 THR CG2 C 13 22.091 0.068 A 100 THR N N 15 109.808 0.041 A 101 MET H H 1 8.87 0.009 A 101 MET HA H 1 4.354 0.038 A 101 MET HBy H 1 2.087 0.03 A 101 MET HBx H 1 2.004 0.053 A 101 MET HE% H 1 1.337 0.01 A 101 MET HGy H 1 2.364 0.037 A 101 MET HGx H 1 2.351 0.043 A 101 MET C C 13 179.144 0 A 101 MET CA C 13 56.022 0.169 A 101 MET CB C 13 30.209 0.01 A 101 MET CE C 13 16.149 0.013 A 101 MET CG C 13 34.022 0.08 A 101 MET N N 15 120.18 0.083 A 102 ALA H H 1 8.621 0.009 A 102 ALA HA H 1 4.034 0.023 A 102 ALA HB% H 1 1.446 0.013 A 102 ALA C C 13 180.621 0 A 102 ALA CA C 13 55.457 0.026 A 102 ALA CB C 13 18.712 0.095 A 102 ALA N N 15 121.708 0.175 A 103 GLU H H 1 7.602 0.008 A 103 GLU HA H 1 3.823 0.013 A 103 GLU HBx H 1 2.504 0.029 A 103 GLU HBy H 1 2.505 0.022 A 103 GLU HGy H 1 2.378 0.006 A 103 GLU HGx H 1 2.289 0.031 A 103 GLU C C 13 178.111 0 A 103 GLU CA C 13 59.454 0.018 A 103 GLU CB C 13 29.593 0.112 A 103 GLU CG C 13 37.435 0.03 A 103 GLU N N 15 120.462 0.07 A 104 ILE H H 1 8.33 0.006 A 104 ILE HA H 1 4.117 0.015 A 104 ILE HB H 1 2.278 0.031 A 104 ILE HD1% H 1 0.878 0.011 A 104 ILE HG1x H 1 0.868 0.023 A 104 ILE HG1y H 1 0.911 0.033 A 104 ILE HG2% H 1 0.948 0.022 A 104 ILE C C 13 178.259 0 A 104 ILE CA C 13 61.949 0.028 A 104 ILE CB C 13 37.43 0.022 A 104 ILE CD1 C 13 10.558 0.064 A 104 ILE CG1 C 13 27.82 0.084 A 104 ILE CG2 C 13 18.132 0.029 A 104 ILE N N 15 120.058 0.109 A 105 TYR H H 1 8.95 0.006 A 105 TYR HA H 1 3.951 0.013 A 105 TYR HBy H 1 3.107 0.014 A 105 TYR HBx H 1 3.091 0.021 A 105 TYR HD1 H 1 7.013 0.032 A 105 TYR HD2 H 1 7.013 0.032 A 105 TYR HE1 H 1 6.926 0.033 A 105 TYR HE2 H 1 6.926 0.033 A 105 TYR C C 13 176.64 0 A 105 TYR CA C 13 62.036 0.036 A 105 TYR CB C 13 39.197 0.089 A 105 TYR CD1 C 13 133.206 0.375 A 105 TYR CD2 C 13 133.206 0.375 A 105 TYR CE1 C 13 117.812 0.164 A 105 TYR CE2 C 13 117.812 0.164 A 105 TYR N N 15 121.159 0.043 A 106 ARG H H 1 7.634 0.008 A 106 ARG HA H 1 3.811 0.018 A 106 ARG HBy H 1 2.139 0.022 A 106 ARG HBx H 1 1.917 0.024 A 106 ARG HDy H 1 3.299 0.017 A 106 ARG HDx H 1 3.143 0.028 A 106 ARG HE H 1 7.523 0.008 A 106 ARG HGy H 1 1.794 0.028 A 106 ARG HGx H 1 1.492 0.019 A 106 ARG C C 13 178.333 0 A 106 ARG CA C 13 58.955 0.017 A 106 ARG CB C 13 30.454 0.159 A 106 ARG CD C 13 43.619 0.117 A 106 ARG CG C 13 25.952 0.061 A 106 ARG N N 15 116.111 0.072 A 106 ARG NE N 15 86.219 0.026 A 107 ASP H H 1 7.545 0.008 A 107 ASP HA H 1 4.523 0.013 A 107 ASP HBy H 1 2.339 0.021 A 107 ASP HBx H 1 1.901 0.026 A 107 ASP C C 13 178.135 0 A 107 ASP CA C 13 55.985 0.065 A 107 ASP CB C 13 41.78 0.028 A 107 ASP N N 15 114.594 0.054 A 108 TYR H H 1 8.522 0.007 A 108 TYR HA H 1 4.915 0.023 A 108 TYR HBy H 1 3.403 0.022 A 108 TYR HBx H 1 2.818 0.019 A 108 TYR HD1 H 1 7.413 0.013 A 108 TYR HD2 H 1 7.413 0.013 A 108 TYR HE1 H 1 6.902 0.013 A 108 TYR HE2 H 1 6.902 0.013 A 108 TYR C C 13 175.946 0 A 108 TYR CA C 13 58.262 0.022 A 108 TYR CB C 13 39.63 0.027 A 108 TYR CD1 C 13 133.853 0.207 A 108 TYR CD2 C 13 133.853 0.207 A 108 TYR CE1 C 13 117.96 0.141 A 108 TYR CE2 C 13 117.96 0.141 A 108 TYR N N 15 114.982 0.029 A 109 LYS H H 1 7.606 0.007 A 109 LYS HA H 1 4.107 0.016 A 109 LYS HBy H 1 1.381 0.039 A 109 LYS HBx H 1 1.366 0.032 A 109 LYS HDx H 1 0.677 0.013 A 109 LYS HDy H 1 1.181 0.01 A 109 LYS HEy H 1 2.71 0.011 A 109 LYS HEx H 1 2.704 0.003 A 109 LYS HGx H 1 1.028 0.03 A 109 LYS HGy H 1 1.338 0.013 A 109 LYS C C 13 175.148 0 A 109 LYS CA C 13 57.855 0.018 A 109 LYS CB C 13 31.803 0.053 A 109 LYS CD C 13 28.734 0.02 A 109 LYS CE C 13 41.586 0.022 A 109 LYS CG C 13 22.376 0.04 A 109 LYS N N 15 119.516 0.065 A 110 ASP H H 1 9.234 0.015 A 110 ASP HA H 1 4.779 0.015 A 110 ASP HBx H 1 3.146 0.025 A 110 ASP HBy H 1 3.785 0.025 A 110 ASP C C 13 177.423 0 A 110 ASP CA C 13 53.803 0.001 A 110 ASP CB C 13 43.447 0.122 A 110 ASP N N 15 124.955 0.058 A 111 GLU H H 1 8.849 0.002 A 111 GLU HA H 1 4.155 0.008 A 111 GLU HBy H 1 2.117 0.021 A 111 GLU HBx H 1 2.104 0.02 A 111 GLU HGx H 1 2.238 0.016 A 111 GLU HGy H 1 2.245 0.015 A 111 GLU C C 13 177.58 0 A 111 GLU CA C 13 58.912 0.043 A 111 GLU CB C 13 29.623 0.1 A 111 GLU CG C 13 36.333 0 A 111 GLU N N 15 125.2 0.035 A 112 ASP H H 1 9.956 0.008 A 112 ASP HA H 1 4.335 0.013 A 112 ASP HBy H 1 3.104 0.022 A 112 ASP HBx H 1 2.722 0.024 A 112 ASP C C 13 175.758 0 A 112 ASP CA C 13 54.68 0.082 A 112 ASP CB C 13 40.301 0.107 A 112 ASP N N 15 119.94 0.033 A 113 GLY H H 1 7.961 0.007 A 113 GLY HAx H 1 4.547 0.019 A 113 GLY HAy H 1 4.554 0.02 A 113 GLY C C 13 175.187 0 A 113 GLY CA C 13 45.139 0.026 A 113 GLY N N 15 105.878 0.049 A 114 PHE H H 1 9.47 0.013 A 114 PHE HA H 1 4.891 0.013 A 114 PHE HBx H 1 2.163 0.025 A 114 PHE HBy H 1 3.427 0.031 A 114 PHE HD1 H 1 7.121 0.024 A 114 PHE HD2 H 1 7.121 0.024 A 114 PHE HE1 H 1 7.099 0.025 A 114 PHE HE2 H 1 7.099 0.025 A 114 PHE C C 13 176.094 0 A 114 PHE CA C 13 59.459 0.005 A 114 PHE CB C 13 39.727 0 A 114 PHE CD1 C 13 132.909 0.14 A 114 PHE CD2 C 13 132.909 0.14 A 114 PHE CE1 C 13 130.844 0.336 A 114 PHE CE2 C 13 130.844 0.336 A 114 PHE N N 15 122.48 0.071 A 115 VAL H H 1 7.896 0.008 A 115 VAL HA H 1 4.822 0.017 A 115 VAL HB H 1 2.021 0.021 A 115 VAL HGx% H 1 1.049 0.029 A 115 VAL HGy% H 1 1.005 0.009 A 115 VAL C C 13 172.77 0 A 115 VAL CA C 13 60.954 0.048 A 115 VAL CB C 13 34.479 0.096 A 115 VAL CGy C 13 22.998 0.04 A 115 VAL CGx C 13 21.828 0.067 A 115 VAL N N 15 116.442 0.065 A 116 TYR H H 1 9.33 0.01 A 116 TYR HA H 1 5.08 0.027 A 116 TYR HBx H 1 2.867 0.016 A 116 TYR HBy H 1 2.867 0.017 A 116 TYR HD1 H 1 7.272 0.037 A 116 TYR HD2 H 1 7.272 0.037 A 116 TYR HE1 H 1 7.158 0.018 A 116 TYR HE2 H 1 7.158 0.018 A 116 TYR C C 13 176.259 0 A 116 TYR CA C 13 58.585 0.057 A 116 TYR CB C 13 39.655 0.026 A 116 TYR CD1 C 13 131.506 0.344 A 116 TYR CD2 C 13 131.506 0.344 A 116 TYR CE1 C 13 118.385 0.16 A 116 TYR CE2 C 13 118.385 0.16 A 116 TYR N N 15 127.448 0.072 A 117 MET H H 1 9.568 0.006 A 117 MET HA H 1 5.636 0.009 A 117 MET HBy H 1 2.131 0.039 A 117 MET HBx H 1 1.944 0.016 A 117 MET HE% H 1 1.913 0.008 A 117 MET HGy H 1 2.579 0.022 A 117 MET HGx H 1 2.45 0.017 A 117 MET C C 13 176.126 0 A 117 MET CA C 13 54.265 0.051 A 117 MET CB C 13 37.412 0.18 A 117 MET CE C 13 18.875 0.019 A 117 MET CG C 13 33.652 0.078 A 117 MET N N 15 120.269 0.054 A 118 THR H H 1 9.02 0.011 A 118 THR HA H 1 6.278 0.018 A 118 THR HB H 1 4.072 0.012 A 118 THR HG2% H 1 1.28 0.017 A 118 THR C C 13 173.868 0 A 118 THR CA C 13 58.797 0.021 A 118 THR CB C 13 72.917 0.058 A 118 THR CG2 C 13 22.665 0.036 A 118 THR N N 15 113.49 0.055 A 119 TYR H H 1 7.661 0.014 A 119 TYR HA H 1 6.151 0.018 A 119 TYR HBy H 1 2.611 0 A 119 TYR HBx H 1 2.418 0.02 A 119 TYR HD1 H 1 6.617 0.025 A 119 TYR HD2 H 1 6.617 0.025 A 119 TYR HE1 H 1 6.491 0.019 A 119 TYR HE2 H 1 6.491 0.019 A 119 TYR C C 13 173.506 0 A 119 TYR CA C 13 54.159 0.076 A 119 TYR CB C 13 42.757 0.041 A 119 TYR CD1 C 13 133.327 0.216 A 119 TYR CD2 C 13 133.327 0.216 A 119 TYR CE1 C 13 116.961 0.064 A 119 TYR CE2 C 13 116.961 0.064 A 119 TYR N N 15 115.072 0.076 A 120 ALA H H 1 8.516 0.011 A 120 ALA HA H 1 4.753 0.01 A 120 ALA HB% H 1 1.527 0.017 A 120 ALA C C 13 175.65 0 A 120 ALA CA C 13 50.933 0.016 A 120 ALA CB C 13 24.796 0.062 A 120 ALA N N 15 120.05 0.09 A 121 SER H H 1 9.897 0.007 A 121 SER HA H 1 4.751 0.019 A 121 SER HBy H 1 4.123 0.007 A 121 SER HBx H 1 4.094 0.023 A 121 SER C C 13 173.635 0 A 121 SER CA C 13 58.586 0 A 121 SER CB C 13 64.205 0.002 A 121 SER N N 15 115.116 0.078 A 122 GLN H H 1 7.501 0.02 A 122 GLN HA H 1 4.418 0.016 A 122 GLN HBx H 1 1.901 0.008 A 122 GLN HBy H 1 1.935 0.025 A 122 GLN HE21 H 1 6.792 0.003 A 122 GLN HE22 H 1 7.345 0.01 A 122 GLN HG2 H 1 1.945 0.015 A 122 GLN C C 13 174.187 0 A 122 GLN CA C 13 54.752 0.015 A 122 GLN CB C 13 31.257 0.025 A 122 GLN CG C 13 33.315 0 A 122 GLN N N 15 117.778 0.124 A 122 GLN NE2 N 15 112.846 0.035 A 123 GLU H H 1 8.242 0.008 A 123 GLU HA H 1 3.493 0.008 A 123 GLU HBy H 1 1.541 0.036 A 123 GLU HBx H 1 1.531 0.037 A 123 GLU HGx H 1 1.729 0.011 A 123 GLU HGy H 1 1.731 0.011 A 123 GLU C C 13 176.105 0 A 123 GLU CA C 13 57.471 0.071 A 123 GLU CB C 13 30.122 0.1 A 123 GLU CG C 13 36.393 0.047 A 123 GLU N N 15 118.988 0.059 A 124 THR H H 1 7.247 0.008 A 124 THR HA H 1 4.206 0.009 A 124 THR HB H 1 4.009 0.003 A 124 THR HG2% H 1 0.965 0.007 A 124 THR C C 13 173.165 0 A 124 THR CA C 13 60.894 0.042 A 124 THR CB C 13 69.986 0.015 A 124 THR CG2 C 13 21.434 0.046 A 124 THR N N 15 111.011 0.065 A 125 PHE H H 1 8.29 0.014 A 125 PHE HA H 1 4.496 0.02 A 125 PHE HBy H 1 3.097 0.006 A 125 PHE HBx H 1 2.754 0.003 A 125 PHE HD1 H 1 6.968 0.011 A 125 PHE HD2 H 1 6.968 0.011 A 125 PHE HE1 H 1 6.957 0.004 A 125 PHE HE2 H 1 6.957 0.004 A 125 PHE C C 13 175.125 0 A 125 PHE CA C 13 57.554 0.011 A 125 PHE CB C 13 40.202 0.089 A 125 PHE CD1 C 13 131.741 0.202 A 125 PHE CD2 C 13 131.741 0.202 A 125 PHE CE1 C 13 131.419 0.187 A 125 PHE CE2 C 13 131.419 0.187 A 125 PHE N N 15 122.205 0.053 A 126 GLY H H 1 8.037 0.008 A 126 GLY HAy H 1 3.778 0.012 A 126 GLY HAx H 1 3.774 0.007 A 126 GLY CA C 13 46.097 0.003 A 126 GLY N N 15 115.995 0.024 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 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 7 ILE HG1x A 7 ILE HG1y 1.0 1.5 2.5 2 2 A 107 ASP HA A 107 ASP HBy 1.0 1.6 3.0 3 3 A 64 LEU HG A 64 LEU HDx% 1.0 1.6 3.0 4 3 A 64 LEU HDy% A 64 LEU HG 1.0 1.6 3.0 5 4 A 57 LYS HA A 57 LYS HGx 1.0 1.8 3.6 6 5 A 57 LYS HA A 40 VAL HGx% 1.0 2.0 4.8 7 6 A 102 ALA HA A 105 TYR HBx 1.0 1.9 4.3 8 7 A 102 ALA HA A 37 ILE HD1% 1.0 1.7 3.3 9 8 A 57 LYS HA A 40 VAL HA 1.0 2.0 4.6 10 9 A 119 TYR HE% A 53 LEU HDx% 1.0 1.8 3.8 11 9 A 53 LEU HDy% A 119 TYR HE% 1.0 1.8 3.8 12 10 A 85 PHE HD% A 50 LEU HDx% 1.0 1.9 4.5 13 10 A 50 LEU HDy% A 85 PHE HD% 1.0 1.9 4.5 14 11 A 73 ILE HG2% A 53 LEU HDx% 1.0 1.7 3.3 15 11 A 53 LEU HDy% A 73 ILE HG2% 1.0 1.7 3.3 16 12 A 54 ASP HA A 53 LEU HBy 1.0 1.7 6.0 17 13 A 2 PRO HGy A 2 PRO HGx 1.0 1.6 2.6 18 14 A 2 PRO HGy A 2 PRO HGx 1.0 1.4 2.4 19 15 A 120 ALA HB% A 44 TYR HA 1.0 1.9 4.9 20 16 A 87 LEU HG A 87 LEU HDx% 1.0 1.6 2.6 21 16 A 87 LEU HDy% A 87 LEU HG 1.0 1.6 2.6 22 17 A 53 LEU HDy% A 119 TYR HE% 1.0 1.8 4.0 23 17 A 119 TYR HE% A 53 LEU HDx% 1.0 1.8 4.0 24 18 A 53 LEU HDy% A 73 ILE HA 1.0 1.9 4.7 25 18 A 73 ILE HA A 53 LEU HDx% 1.0 1.9 4.7 26 19 A 59 LEU HG A 59 LEU HDx% 1.0 1.6 2.6 27 19 A 59 LEU HDy% A 59 LEU HG 1.0 1.6 2.6 28 20 A 37 ILE HA A 38 PRO HDy 1.0 1.8 4.2 29 21 A 88 LEU HG A 88 LEU HDx% 1.0 1.6 2.8 30 21 A 88 LEU HDy% A 88 LEU HG 1.0 1.6 2.8 31 22 A 117 MET HA A 89 VAL HA 1.0 1.7 3.5 32 23 A 119 TYR HA A 87 LEU HA 1.0 1.8 4.0 33 24 A 22 ARG HBy A 19 LEU HDx% 1.0 1.8 3.8 34 24 A 22 ARG HBx A 19 LEU HDx% 1.0 1.8 3.8 35 24 A 19 LEU HDy% A 22 ARG HBx 1.0 1.8 3.8 36 24 A 19 LEU HDy% A 22 ARG HBy 1.0 1.8 3.8 37 25 A 112 ASP HBy A 19 LEU HDx% 1.0 1.8 3.8 38 25 A 19 LEU HDy% A 112 ASP HBy 1.0 1.8 3.8 39 26 A 112 ASP HBx A 19 LEU HDx% 1.0 1.8 3.6 40 26 A 19 LEU HDy% A 112 ASP HBx 1.0 1.8 3.6 41 27 A 112 ASP HA A 19 LEU HDx% 1.0 1.7 3.5 42 27 A 19 LEU HDy% A 112 ASP HA 1.0 1.7 3.5 43 28 A 19 LEU HA A 19 LEU HDx% 1.0 1.7 3.1 44 28 A 19 LEU HDy% A 19 LEU HA 1.0 1.7 3.1 45 29 A 119 TYR HA A 87 LEU HA 1.0 1.8 3.8 46 30 A 50 LEU HDy% A 51 PRO HDx 1.0 1.9 3.9 47 30 A 51 PRO HDx A 50 LEU HDx% 1.0 1.9 3.9 48 31 A 40 VAL HGx% A 56 THR HG2% 1.0 2.0 4.6 49 32 A 115 VAL HGy% A 105 TYR HA 1.0 1.8 3.4 50 33 A 26 VAL HGy% A 113 GLY HAy 1.0 1.9 4.3 51 34 A 26 VAL HGy% A 26 VAL HB 1.0 1.6 3.0 52 35 A 26 VAL HGy% A 114 PHE HA 1.0 2.0 5.2 53 36 A 118 THR HG2% A 44 TYR HD% 1.0 1.7 3.3 54 37 A 99 ALA HA A 99 ALA HB% 1.0 1.5 2.5 55 38 A 84 ALA HA A 84 ALA HB% 1.0 1.4 2.4 56 39 A 41 VAL HGx% A 119 TYR HD% 1.0 1.7 3.3 57 40 A 60 VAL HGy% A 60 VAL HB 1.0 1.6 2.6 58 41 A 60 VAL HGy% A 59 LEU HA 1.0 1.6 6.0 59 42 A 60 VAL HGx% A 101 MET HGx 1.0 1.9 4.1 60 43 A 67 THR HG2% A 67 THR HA 1.0 1.7 3.1 61 44 A 67 THR HG2% A 68 GLN HA 1.0 1.5 6.0 62 45 A 26 VAL HB A 26 VAL HGx% 1.0 1.5 2.7 63 46 A 89 VAL HGx% A 108 TYR HD% 1.0 1.8 4.2 64 47 A 48 THR HG2% A 48 THR HA 1.0 1.5 2.7 65 48 A 41 VAL HGy% A 41 VAL HB 1.0 1.7 2.9 66 49 A 26 VAL HGx% A 114 PHE HE% 1.0 1.9 4.3 67 50 A 117 MET HA A 89 VAL HGy% 1.0 1.9 4.5 68 51 A 89 VAL HGy% A 117 MET HGy 1.0 1.9 3.9 69 52 A 89 VAL HGy% A 117 MET HGx 1.0 1.9 4.3 70 53 A 40 VAL HGy% A 116 TYR HA 1.0 1.8 4.0 71 53 A 57 LYS HA A 40 VAL HGy% 1.0 1.8 4.0 72 54 A 78 VAL HGy% A 78 VAL HB 1.0 1.5 2.5 73 55 A 10 VAL HGx% A 10 VAL HA 1.0 1.6 2.8 74 56 A 57 LYS HGx A 40 VAL HGx% 1.0 1.9 4.5 75 56 A 40 VAL HGx% A 56 THR HG2% 1.0 1.9 4.5 76 57 A 99 ALA HB% A 96 SER HBy 1.0 1.9 4.3 77 58 A 99 ALA HB% A 104 ILE HG1x 1.0 1.6 2.8 78 58 A 99 ALA HB% A 104 ILE HD1% 1.0 1.6 2.8 79 59 A 84 ALA HB% A 85 PHE HA 1.0 1.9 4.3 80 60 A 99 ALA HB% A 96 SER HBx 1.0 1.9 4.1 81 61 A 31 ALA HB% A 27 ALA HA 1.0 1.5 6.0 82 62 A 29 ILE HG2% A 33 PHE HD% 1.0 1.7 3.3 83 63 A 29 ILE HG2% A 38 PRO HA 1.0 2.0 4.8 84 64 A 29 ILE HG2% A 29 ILE HB 1.0 1.5 2.7 85 65 A 85 PHE HD% A 73 ILE HG2% 1.0 1.9 4.3 86 66 A 73 ILE HG2% A 85 PHE HE% 1.0 1.9 4.1 87 67 A 73 ILE HG2% A 77 MET HE% 1.0 1.8 3.8 88 68 A 21 ILE HG2% A 21 ILE HG1x 1.0 1.6 2.8 89 69 A 85 PHE HD% A 77 MET HE% 1.0 1.9 3.9 90 70 A 85 PHE HE% A 77 MET HE% 1.0 1.7 3.5 91 71 A 119 TYR HE% A 77 MET HE% 1.0 1.8 3.6 92 71 A 119 TYR HD% A 77 MET HE% 1.0 1.8 3.6 93 72 A 72 ILE HG2% A 72 ILE HB 1.0 1.6 3.0 94 73 A 72 ILE HG2% A 69 PHE HD% 1.0 1.8 3.6 95 74 A 38 PRO HDy A 37 ILE HG2% 1.0 1.9 4.5 96 75 A 73 ILE HA A 72 ILE HG2% 1.0 2.0 4.6 97 76 A 37 ILE HG2% A 105 TYR HD% 1.0 1.8 3.6 98 77 A 105 TYR HBx A 37 ILE HG2% 1.0 1.8 3.6 99 78 A 101 MET HE% A 66 MET HA 1.0 1.9 4.3 100 79 A 72 ILE HD1% A 69 PHE HA 1.0 1.8 3.6 101 80 A 69 PHE HD% A 72 ILE HD1% 1.0 1.8 3.6 102 81 A 29 ILE HD1% A 26 VAL HA 1.0 1.8 3.6 103 82 A 29 ILE HD1% A 38 PRO HBx 1.0 1.8 3.6 104 83 A 29 ILE HD1% A 25 GLU HBy 1.0 1.9 4.3 105 84 A 38 PRO HA A 29 ILE HD1% 1.0 2.0 4.8 106 85 A 110 ASP HBy A 116 TYR HE% 1.0 2.0 5.0 107 85 A 110 ASP HBy A 116 TYR HD% 1.0 2.0 5.0 108 86 A 41 VAL HGy% A 73 ILE HD1% 1.0 1.6 2.8 109 86 A 41 VAL HGx% A 73 ILE HD1% 1.0 1.6 2.8 110 87 A 73 ILE HD1% A 69 PHE HE% 1.0 1.9 4.1 111 87 A 69 PHE HD% A 73 ILE HD1% 1.0 1.9 4.1 112 88 A 41 VAL HB A 73 ILE HD1% 1.0 1.9 4.3 113 89 A 107 ASP HA A 107 ASP HBy 1.0 1.9 4.5 114 90 A 67 THR HA A 70 LEU HBy 1.0 2.0 5.6 115 91 A 112 ASP HBx A 19 LEU HDx% 1.0 2.0 5.0 116 91 A 19 LEU HDy% A 112 ASP HBx 1.0 2.0 5.0 117 92 A 104 ILE HD1% A 66 MET HGy 1.0 1.9 4.5 118 93 A 104 ILE HD1% A 104 ILE HB 1.0 1.8 3.6 119 94 A 99 ALA HB% A 104 ILE HD1% 1.0 1.6 3.0 120 95 A 125 PHE HBy A 125 PHE HBx 1.0 1.6 3.0 121 96 A 37 ILE HD1% A 105 TYR HD% 1.0 1.8 3.8 122 97 A 102 ALA HA A 37 ILE HD1% 1.0 1.7 3.1 123 98 A 105 TYR HBx A 37 ILE HD1% 1.0 1.8 3.4 124 99 A 37 ILE HD1% A 101 MET HBx 1.0 1.8 3.6 125 99 A 37 ILE HD1% A 101 MET HBy 1.0 1.8 3.6 126 100 A 37 ILE HD1% A 102 ALA HB% 1.0 1.7 3.1 127 101 A 37 ILE HD1% A 37 ILE HG1x 1.0 1.7 3.3 128 102 A 37 ILE HD1% A 37 ILE HG1y 1.0 1.7 3.1 129 103 A 67 THR HG2% A 67 THR HB 1.0 1.5 2.5 130 104 A 29 ILE HB A 26 VAL HA 1.0 1.9 4.1 131 105 A 29 ILE HB A 26 VAL HA 1.0 1.9 4.7 132 106 A 60 VAL HGy% A 37 ILE HB 1.0 1.9 4.7 133 106 A 37 ILE HG1y A 37 ILE HB 1.0 1.9 4.7 134 107 A 67 THR HA A 70 LEU HBy 1.0 1.7 3.3 135 108 A 21 ILE HG1x A 21 ILE HB 1.0 1.8 3.6 136 109 A 73 ILE HB A 70 LEU HA 1.0 2.0 5.4 137 110 A 29 ILE HB A 26 VAL HA 1.0 1.9 4.1 138 110 A 26 VAL HB A 26 VAL HA 1.0 1.9 4.1 139 111 A 24 GLU HGy A 24 GLU HGx 1.0 1.3 1.9 140 112 A 29 ILE HA A 32 LYS HBy 1.0 1.9 4.1 141 113 A 33 PHE HD% A 29 ILE HA 1.0 1.9 4.1 142 114 A 115 VAL HB A 39 VAL HGx% 1.0 1.9 4.3 143 115 A 73 ILE HA A 72 ILE HG2% 1.0 1.8 3.8 144 116 A 60 VAL HGy% A 60 VAL HB 1.0 1.7 3.1 145 117 A 32 LYS HBy A 33 PHE HE% 1.0 1.9 4.5 146 117 A 33 PHE HD% A 32 LYS HBy 1.0 1.9 4.5 147 118 A 51 PRO HDx A 51 PRO HA 1.0 1.9 4.9 148 119 A 51 PRO HBx A 51 PRO HBy 1.0 1.7 3.1 149 120 A 62 GLN HGy A 62 GLN HBy 1.0 1.9 4.3 150 121 A 105 TYR HA A 109 LYS HBx 1.0 1.9 4.1 151 122 A 115 VAL HGy% A 105 TYR HA 1.0 1.7 3.3 152 122 A 105 TYR HA A 115 VAL HGx% 1.0 1.7 3.3 153 123 A 4 PRO HBx A 4 PRO HBy 1.0 1.4 2.4 154 124 A 51 PRO HA A 52 PRO HBx 1.0 1.9 6.0 155 125 A 38 PRO HA A 39 VAL HGy% 1.0 1.8 4.0 156 125 A 29 ILE HG2% A 38 PRO HA 1.0 1.8 4.0 157 126 A 114 PHE HE% A 38 PRO HA 1.0 1.9 4.5 158 126 A 38 PRO HA A 114 PHE HD% 1.0 1.9 4.5 159 127 A 117 MET HA A 89 VAL HA 1.0 1.8 3.6 160 128 A 3 PRO HBx A 3 PRO HBy 1.0 1.3 2.1 161 129 A 69 PHE HA A 64 LEU HDx% 1.0 1.7 3.5 162 129 A 72 ILE HD1% A 69 PHE HA 1.0 1.7 3.5 163 129 A 64 LEU HDy% A 69 PHE HA 1.0 1.7 3.5 164 130 A 77 MET HE% A 74 ARG HA 1.0 1.8 3.6 165 131 A 25 GLU HBy A 22 ARG HA 1.0 1.9 4.5 166 132 A 24 GLU HBy A 21 ILE HA 1.0 1.9 4.1 167 133 A 25 GLU HBy A 25 GLU HA 1.0 1.8 4.2 168 134 A 114 PHE HE% A 25 GLU HBy 1.0 1.9 5.1 169 135 A 36 LYS HDx A 36 LYS HA 1.0 1.9 4.5 170 136 A 24 GLU HA A 27 ALA HB% 1.0 1.7 2.9 171 137 A 67 THR HG2% A 68 GLN HA 1.0 1.9 4.1 172 138 A 19 LEU HA A 20 ALA HB% 1.0 1.9 6.0 173 139 A 40 VAL HGx% A 116 TYR HA 1.0 1.9 4.5 174 140 A 116 TYR HA A 40 VAL HB 1.0 2.0 6.4 175 141 A 50 LEU HG A 121 SER HA 1.0 1.9 4.5 176 142 A 99 ALA HB% A 104 ILE HG1x 1.0 1.9 4.9 177 143 A 19 LEU HG A 19 LEU HBx 1.0 1.9 4.5 178 144 A 52 PRO HGy A 52 PRO HBy 1.0 1.9 4.5 179 145 A 52 PRO HGx A 52 PRO HDx 1.0 1.9 4.3 180 146 A 52 PRO HGy A 52 PRO HBy 1.0 1.9 4.3 181 147 A 19 LEU HA A 22 ARG HGy 1.0 2.0 6.0 182 148 A 52 PRO HGx A 52 PRO HDx 1.0 2.0 4.8 183 149 A 105 TYR HA A 37 ILE HG2% 1.0 1.9 4.5 184 150 A 104 ILE HA A 108 TYR HE% 1.0 1.8 4.0 185 151 A 108 TYR HD% A 104 ILE HA 1.0 1.7 3.5 186 152 A 119 TYR HA A 87 LEU HA 1.0 1.8 4.0 187 153 A 51 PRO HBx A 51 PRO HBy 1.0 1.8 3.4 188 154 A 67 THR HA A 67 THR HB 1.0 1.6 3.0 189 155 A 4 PRO HDx A 3 PRO HA 1.0 1.5 2.3 190 156 A 3 PRO HA A 4 PRO HDy 1.0 1.5 2.5 191 157 A 84 ALA HA A 85 PHE HA 1.0 1.9 4.7 192 158 A 99 ALA HA A 103 GLU HBy 1.0 2.0 5.4 193 158 A 99 ALA HA A 103 GLU HBx 1.0 2.0 5.4 194 159 A 21 ILE HB A 21 ILE HA 1.0 1.8 4.0 195 160 A 77 MET HE% A 74 ARG HA 1.0 1.9 4.1 196 161 A 24 GLU HBy A 27 ALA HB% 1.0 1.9 4.1 197 162 A 26 VAL HB A 27 ALA HB% 1.0 1.8 6.0 198 163 A 73 ILE HG2% A 77 MET HE% 1.0 1.7 3.3 199 164 A 102 ALA HB% A 62 GLN HA 1.0 1.8 3.4 200 165 A 102 ALA HA A 102 ALA HB% 1.0 1.5 2.7 201 166 A 120 ALA HB% A 119 TYR HA 1.0 1.9 4.5 202 167 A 53 LEU HDy% A 73 ILE HG2% 1.0 1.7 3.3 203 167 A 73 ILE HG2% A 53 LEU HDx% 1.0 1.7 3.3 204 168 A 52 PRO HBy A 52 PRO HGx 1.0 1.7 3.3 205 169 A 82 THR HA A 81 ALA HB% 1.0 1.8 6.0 206 170 A 3 PRO HA A 4 PRO HGx 1.0 1.6 6.0 207 171 A 59 LEU HA A 38 PRO HA 1.0 1.8 3.8 208 172 A 73 ILE HA A 53 LEU HDx% 1.0 1.9 4.3 209 172 A 73 ILE HA A 72 ILE HG2% 1.0 1.9 4.3 210 172 A 53 LEU HDy% A 73 ILE HA 1.0 1.9 4.3 211 173 A 87 LEU HA A 66 MET HE% 1.0 2.0 5.4 212 174 A 66 MET HGy A 104 ILE HG1y 1.0 2.0 5.4 213 174 A 104 ILE HG1x A 66 MET HGy 1.0 2.0 5.4 214 175 A 37 ILE HD1% A 37 ILE HG2% 1.0 1.7 2.9 215 176 A 21 ILE HB A 21 ILE HA 1.0 1.8 4.0 216 177 A 51 PRO HA A 52 PRO HDx 1.0 1.8 3.8 217 178 A 104 ILE HB A 104 ILE HA 1.0 1.9 4.1 218 179 A 59 LEU HA A 38 PRO HA 1.0 1.8 4.0 219 180 A 114 PHE HE% A 25 GLU HGx 1.0 2.0 5.2 220 181 A 67 THR HG2% A 68 GLN HGx 1.0 1.8 3.6 221 182 A 118 THR HG2% A 44 TYR HBy 1.0 2.0 4.6 222 183 A 118 THR HG2% A 44 TYR HBx 1.0 1.8 3.4 223 184 A 89 VAL HB A 93 SER HBx 1.0 2.0 4.8 224 185 A 39 VAL HGy% A 58 PHE HBx 1.0 1.8 3.8 225 186 A 41 VAL HGx% A 73 ILE HD1% 1.0 1.6 3.0 226 187 A 10 VAL HGx% A 10 VAL HB 1.0 1.5 2.3 227 188 A 99 ALA HB% A 97 MET HA 1.0 1.8 4.2 228 188 A 99 ALA HB% A 96 SER HA 1.0 1.8 4.2 229 189 A 99 ALA HB% A 66 MET HGx 1.0 2.0 5.8 230 190 A 37 ILE HD1% A 102 ALA HB% 1.0 1.8 3.6 231 191 A 31 ALA HB% A 30 ARG HBy 1.0 1.7 6.0 232 192 A 102 ALA HB% A 103 GLU HGx 1.0 1.7 3.5 233 192 A 102 ALA HB% A 103 GLU HGy 1.0 1.7 3.5 234 193 A 119 TYR HD% A 53 LEU HDx% 1.0 1.9 4.5 235 193 A 53 LEU HDy% A 119 TYR HD% 1.0 1.9 4.5 236 194 A 118 THR HG2% A 119 TYR HD% 1.0 1.9 4.1 237 194 A 118 THR HG2% A 44 TYR HE% 1.0 1.9 4.1 238 195 A 50 LEU HDy% A 121 SER HA 1.0 1.9 5.1 239 195 A 121 SER HA A 50 LEU HDx% 1.0 1.9 5.1 240 196 A 101 MET HE% A 66 MET HGy 1.0 1.8 3.8 241 197 A 29 ILE HD1% A 38 PRO HBy 1.0 1.8 3.6 242 198 A 79 LEU HBy A 79 LEU HA 1.0 2.0 5.0 243 199 A 108 TYR HD% A 104 ILE HG2% 1.0 1.8 3.4 244 200 A 104 ILE HG2% A 101 MET HA 1.0 1.9 4.9 245 201 A 107 ASP HA A 109 LYS H 1.0 2.0 5.4 246 202 A 65 THR HB A 100 THR HA 1.0 1.9 4.9 247 203 A 67 THR HB A 65 THR HB 1.0 2.0 5.4 248 204 A 51 PRO HDx A 51 PRO HBy 1.0 1.9 4.3 249 205 A 119 TYR HD% A 118 THR HA 1.0 2.0 5.2 250 206 A 85 PHE HD% A 119 TYR HA 1.0 2.0 5.2 251 207 A 73 ILE HD1% A 70 LEU HA 1.0 2.0 6.0 252 208 A 2 PRO HGy A 2 PRO HBx 1.0 2.0 4.8 253 209 A 108 TYR HE% A 104 ILE HG2% 1.0 2.0 4.8 254 210 A 65 THR HG2% A 68 GLN HBx 1.0 2.0 5.0 255 211 A 37 ILE HG2% A 115 VAL HGx% 1.0 2.0 4.6 256 212 A 56 THR HG2% A 56 THR HA 1.0 1.7 3.3 257 213 A 105 TYR HA A 106 ARG H 1.0 2.0 5.4 258 214 A 44 TYR HA A 118 THR HG2% 1.0 1.9 3.9 259 215 A 85 PHE HA A 86 TYR HD% 1.0 1.9 4.7 260 216 A 33 PHE HBx A 33 PHE HA 1.0 2.0 5.8 261 217 A 27 ALA HA A 26 VAL HA 1.0 2.0 5.8 262 218 A 31 ALA HA A 32 LYS HA 1.0 1.8 6.0 263 219 A 81 ALA HB% A 81 ALA HA 1.0 1.5 2.5 264 220 A 102 ALA HA A 62 GLN HA 1.0 2.0 5.4 265 221 A 102 ALA HA A 105 TYR HD% 1.0 2.0 5.4 266 222 A 120 ALA HB% A 44 TYR HD% 1.0 1.9 3.9 267 223 A 120 ALA HB% A 119 TYR HD% 1.0 1.9 4.1 268 223 A 120 ALA HB% A 44 TYR HE% 1.0 1.9 4.1 269 224 A 2 PRO HGx A 2 PRO HBx 1.0 2.0 5.2 270 225 A 72 ILE HG2% A 72 ILE HA 1.0 1.8 3.4 271 226 A 60 VAL HB A 61 PRO HDx 1.0 2.0 5.4 272 227 A 53 LEU HDy% A 77 MET HGx 1.0 1.7 3.5 273 227 A 77 MET HGx A 53 LEU HDx% 1.0 1.7 3.5 274 228 A 105 TYR HD% A 109 LYS HA 1.0 2.0 5.4 275 229 A 19 LEU HA A 20 ALA HA 1.0 2.0 4.8 276 230 A 22 ARG HBx A 19 LEU HA 1.0 1.9 4.3 277 231 A 51 PRO HA A 52 PRO HGx 1.0 2.0 5.6 278 232 A 98 SER HBx A 98 SER HBy 1.0 1.4 2.2 279 233 A 71 SER HA A 74 ARG HBy 1.0 2.0 5.2 280 234 A 79 LEU HA A 78 VAL HA 1.0 2.0 5.6 281 235 A 52 PRO HBy A 52 PRO HGx 1.0 2.0 5.0 282 236 A 73 ILE HA A 53 LEU HDx% 1.0 1.9 4.1 283 236 A 53 LEU HDy% A 73 ILE HA 1.0 1.9 4.1 284 237 A 66 MET HE% A 87 LEU HBx 1.0 2.0 4.6 285 238 A 69 PHE HD% A 64 LEU HDx% 1.0 1.9 4.5 286 238 A 64 LEU HDy% A 69 PHE HD% 1.0 1.9 4.5 287 239 A 70 LEU HG A 70 LEU HDy% 1.0 1.7 3.5 288 239 A 70 LEU HG A 70 LEU HDx% 1.0 1.7 3.5 289 240 A 2 PRO HBy A 2 PRO HA 1.0 2.0 5.0 290 241 A 73 ILE HG2% A 53 LEU HG 1.0 2.0 5.0 291 242 A 73 ILE HG2% A 70 LEU HA 1.0 2.0 5.2 292 243 A 72 ILE HB A 72 ILE HA 1.0 2.0 5.4 293 244 A 72 ILE HB A 69 PHE HD% 1.0 2.0 5.8 294 245 A 72 ILE HG2% A 72 ILE HB 1.0 1.8 3.6 295 246 A 73 ILE HG2% A 74 ARG HA 1.0 2.0 5.0 296 247 A 72 ILE HG2% A 72 ILE HG1x 1.0 1.9 4.1 297 248 A 72 ILE HG2% A 69 PHE HD% 1.0 1.9 4.7 298 249 A 60 VAL HGy% A 37 ILE HB 1.0 2.0 5.6 299 250 A 104 ILE HA A 108 TYR HBx 1.0 2.0 5.4 300 251 A 21 ILE HB A 22 ARG HA 1.0 2.0 5.8 301 251 A 21 ILE HB A 18 SER HBy 1.0 2.0 5.8 302 252 A 10 VAL HB A 10 VAL HGy% 1.0 1.5 2.5 303 253 A 29 ILE HD1% A 26 VAL HA 1.0 1.8 3.6 304 254 A 114 PHE HE% A 26 VAL HA 1.0 2.0 5.6 305 255 A 114 PHE HD% A 39 VAL HA 1.0 2.0 5.2 306 256 A 60 VAL HB A 60 VAL HGx% 1.0 1.7 3.1 307 257 A 21 ILE HG2% A 22 ARG HA 1.0 1.9 5.1 308 258 A 21 ILE HB A 22 ARG HA 1.0 1.9 4.9 309 259 A 36 LYS HA A 36 LYS HGy 1.0 1.8 4.0 310 260 A 36 LYS HA A 61 PRO HA 1.0 1.9 4.5 311 261 A 61 PRO HA A 61 PRO HBy 1.0 1.9 4.5 312 262 A 34 PRO HA A 34 PRO HBx 1.0 1.8 4.0 313 263 A 34 PRO HA A 34 PRO HBy 1.0 1.5 2.7 314 264 A 34 PRO HBx A 34 PRO HBy 1.0 1.8 3.4 315 265 A 104 ILE HB A 101 MET HA 1.0 1.8 3.6 316 266 A 84 ALA HB% A 83 GLU HA 1.0 1.7 6.0 317 267 A 71 SER HA A 74 ARG HBy 1.0 2.0 5.4 318 268 A 51 PRO HA A 51 PRO HBy 1.0 1.8 3.6 319 269 A 51 PRO HA A 52 PRO HDx 1.0 2.0 4.6 320 270 A 52 PRO HDx A 52 PRO HA 1.0 1.9 4.5 321 271 A 52 PRO HBy A 52 PRO HA 1.0 1.8 3.6 322 272 A 52 PRO HBx A 52 PRO HA 1.0 1.8 3.6 323 273 A 52 PRO HGy A 52 PRO HA 1.0 2.0 4.8 324 274 A 52 PRO HGx A 52 PRO HA 1.0 2.0 5.2 325 275 A 51 PRO HA A 51 PRO HBy 1.0 1.7 3.3 326 276 A 57 LYS HA A 40 VAL HA 1.0 1.9 4.1 327 277 A 40 VAL HA A 56 THR HG2% 1.0 1.9 4.7 328 278 A 56 THR HG2% A 40 VAL HGy% 1.0 1.7 3.3 329 279 A 72 ILE HA A 75 SER HBy 1.0 2.0 5.2 330 280 A 25 GLU HA A 27 ALA HB% 1.0 2.0 5.8 331 281 A 29 ILE HD1% A 25 GLU HA 1.0 2.0 5.2 332 282 A 62 GLN HBy A 62 GLN HA 1.0 1.8 3.8 333 283 A 102 ALA HB% A 62 GLN HA 1.0 1.8 4.2 334 284 A 62 GLN HBy A 62 GLN HA 1.0 1.9 4.5 335 285 A 62 GLN HGy A 62 GLN HA 1.0 2.0 5.0 336 286 A 101 MET HGx A 101 MET HBy 1.0 2.0 5.8 337 287 A 77 MET HA A 53 LEU HA 1.0 1.8 4.0 338 288 A 85 PHE HA A 50 LEU HDx% 1.0 1.8 4.0 339 288 A 50 LEU HDy% A 85 PHE HA 1.0 1.8 4.0 340 289 A 51 PRO HBy A 51 PRO HDy 1.0 1.9 4.3 341 290 A 51 PRO HDx A 51 PRO HBy 1.0 2.0 5.6 342 291 A 51 PRO HBx A 51 PRO HDy 1.0 1.9 6.9 343 292 A 51 PRO HDx A 51 PRO HBx 1.0 1.9 4.7 344 293 A 120 ALA HB% A 119 TYR HA 1.0 2.0 4.8 345 294 A 86 TYR HBx A 86 TYR HA 1.0 2.0 5.2 346 295 A 45 PRO HA A 45 PRO HBy 1.0 1.9 4.1 347 296 A 61 PRO HDx A 61 PRO HA 1.0 1.9 4.3 348 297 A 61 PRO HDx A 61 PRO HA 1.0 1.9 4.1 349 298 A 45 PRO HA A 45 PRO HBy 1.0 1.8 3.4 350 299 A 19 LEU HA A 19 LEU HBx 1.0 2.0 5.6 351 300 A 19 LEU HG A 19 LEU HBx 1.0 2.0 4.8 352 301 A 87 LEU HDy% A 69 PHE HE% 1.0 1.9 4.7 353 301 A 69 PHE HE% A 87 LEU HDx% 1.0 1.9 4.7 354 302 A 60 VAL HGy% A 60 VAL HGx% 1.0 1.6 2.6 355 303 A 40 VAL HGx% A 116 TYR HE% 1.0 2.0 5.0 356 304 A 104 ILE HB A 101 MET HA 1.0 1.8 4.0 357 305 A 66 MET HA A 69 PHE HBy 1.0 1.9 4.1 358 306 A 70 LEU HG A 70 LEU HDx% 1.0 1.6 2.8 359 306 A 70 LEU HG A 70 LEU HDy% 1.0 1.6 2.8 360 307 A 27 ALA HB% A 28 GLY HAx 1.0 1.9 4.3 361 308 A 32 LYS HA A 34 PRO HDy 1.0 2.0 5.4 362 309 A 66 MET HA A 69 PHE HBy 1.0 2.0 6.0 363 310 A 73 ILE HA A 72 ILE HB 1.0 1.9 5.1 364 311 A 102 ALA HB% A 62 GLN HGy 1.0 2.0 5.4 365 312 A 51 PRO HDx A 51 PRO HA 1.0 1.9 4.9 366 313 A 21 ILE HB A 18 SER HA 1.0 2.0 5.4 367 314 A 73 ILE HG2% A 74 ARG HA 1.0 2.0 5.2 368 315 A 31 ALA HB% A 32 LYS HA 1.0 1.8 3.6 369 315 A 31 ALA HB% A 28 GLY HAx 1.0 1.8 3.6 370 316 A 20 ALA HB% A 20 ALA HA 1.0 1.5 2.7 371 317 A 21 ILE HA A 20 ALA HB% 1.0 2.0 4.4 372 318 A 44 TYR HA A 118 THR HG2% 1.0 1.7 3.3 373 319 A 21 ILE HB A 18 SER HBx 1.0 2.0 5.2 374 320 A 101 MET HE% A 66 MET HA 1.0 1.8 3.8 375 321 A 36 LYS HBx A 59 LEU HBy 1.0 1.9 4.7 376 322 A 85 PHE HE% A 73 ILE HB 1.0 2.0 5.6 377 323 A 116 TYR HD% A 40 VAL HB 1.0 2.0 5.8 378 324 A 108 TYR HD% A 89 VAL HB 1.0 2.0 5.2 379 325 A 99 ALA HB% A 96 SER HBx 1.0 1.9 4.5 380 326 A 64 LEU HG A 64 LEU HBx 1.0 2.0 4.6 381 327 A 69 PHE HBy A 64 LEU HDx% 1.0 2.0 5.0 382 327 A 64 LEU HDy% A 69 PHE HBy 1.0 2.0 5.0 383 328 A 29 ILE HG2% A 38 PRO HBx 1.0 1.9 4.3 384 329 A 3 PRO HDy A 3 PRO HDx 1.0 1.4 2.2 385 330 A 31 ALA HB% A 28 GLY HAx 1.0 2.0 4.4 386 331 A 60 VAL HB A 61 PRO HDx 1.0 2.0 5.8 387 332 A 61 PRO HDx A 60 VAL HA 1.0 1.9 4.5 388 333 A 40 VAL HGx% A 57 LYS HGy 1.0 2.0 5.2 389 334 A 62 GLN HBy A 62 GLN HA 1.0 1.9 4.3 390 335 A 21 ILE HB A 18 SER HA 1.0 1.7 9.1 391 336 A 120 ALA HB% A 44 TYR HBx 1.0 1.9 4.3 392 337 A 120 ALA HB% A 44 TYR HBy 1.0 1.9 4.3 393 338 A 100 THR HA A 65 THR HA 1.0 1.8 3.6 394 339 A 3 PRO HBx A 3 PRO HBy 1.0 1.3 2.1 395 340 A 85 PHE HD% A 84 ALA HA 1.0 2.0 7.2 396 341 A 23 GLN HA A 23 GLN HBy 1.0 1.7 3.1 397 342 A 26 VAL HGy% A 23 GLN HA 1.0 2.0 5.2 398 343 A 36 LYS HA A 61 PRO HA 1.0 1.8 4.0 399 344 A 53 LEU HDy% A 53 LEU HA 1.0 1.7 3.3 400 344 A 53 LEU HA A 53 LEU HDx% 1.0 1.7 3.3 401 345 A 99 ALA HB% A 96 SER HBy 1.0 1.9 4.3 402 346 A 3 PRO HDy A 3 PRO HDx 1.0 1.7 3.1 403 347 A 41 VAL HGx% A 73 ILE HG1y 1.0 1.8 4.2 404 348 A 51 PRO HDy A 50 LEU HBx 1.0 2.0 4.6 405 349 A 51 PRO HDx A 50 LEU HA 1.0 1.9 4.1 406 350 A 51 PRO HDy A 50 LEU HA 1.0 1.9 4.1 407 351 A 26 VAL HGy% A 25 GLU HBy 1.0 1.9 5.1 408 352 A 26 VAL HB A 23 GLN HA 1.0 2.0 4.8 409 353 A 37 ILE HG2% A 115 VAL HB 1.0 2.0 6.0 410 353 A 37 ILE HG2% A 101 MET HBy 1.0 2.0 6.0 411 354 A 122 GLN HA A 86 TYR HE% 1.0 1.8 3.6 412 355 A 51 PRO HBx A 51 PRO HGx 1.0 1.8 3.8 413 356 A 51 PRO HDx A 51 PRO HGx 1.0 1.9 4.3 414 357 A 22 ARG HBy A 19 LEU HA 1.0 1.5 10.3 415 358 A 23 GLN HBy A 23 GLN HGx 1.0 2.0 5.8 416 359 A 68 GLN HGx A 65 THR HG2% 1.0 1.9 4.3 417 360 A 53 LEU HDy% A 77 MET HA 1.0 1.7 3.3 418 360 A 77 MET HA A 53 LEU HDx% 1.0 1.7 3.3 419 361 A 87 LEU HDy% A 66 MET HE% 1.0 1.4 2.2 420 361 A 66 MET HE% A 87 LEU HDx% 1.0 1.4 2.2 421 362 A 119 TYR HA A 87 LEU HDx% 1.0 2.0 5.0 422 362 A 87 LEU HDy% A 119 TYR HA 1.0 2.0 5.0 423 363 A 20 ALA HA A 23 GLN HBy 1.0 2.0 5.8 424 364 A 23 GLN HA A 23 GLN HBy 1.0 1.9 4.1 425 365 A 60 VAL HGy% A 60 VAL HGx% 1.0 1.5 2.7 426 366 A 52 PRO HBx A 52 PRO HGx 1.0 1.9 4.1 427 367 A 60 VAL HGx% A 69 PHE HE% 1.0 1.8 3.6 428 367 A 60 VAL HGx% A 69 PHE HD% 1.0 1.8 3.6 429 368 A 106 ARG HA A 106 ARG HDy 1.0 1.9 4.7 430 369 A 119 TYR HBy A 87 LEU HDx% 1.0 1.8 3.6 431 369 A 87 LEU HDy% A 119 TYR HBy 1.0 1.8 3.6 432 370 A 119 TYR HBx A 87 LEU HDx% 1.0 1.7 3.5 433 370 A 87 LEU HDy% A 119 TYR HBx 1.0 1.7 3.5 434 371 A 41 VAL HGx% A 73 ILE HG1x 1.0 1.9 5.3 435 372 A 84 ALA HB% A 83 GLU HBx 1.0 2.0 5.0 436 372 A 81 ALA HB% A 83 GLU HBx 1.0 2.0 5.0 437 373 A 87 LEU HG A 66 MET HE% 1.0 1.6 2.8 438 373 A 66 MET HE% A 87 LEU HBx 1.0 1.6 2.8 439 374 A 26 VAL HGy% A 114 PHE HE% 1.0 1.8 3.6 440 374 A 26 VAL HGy% A 114 PHE HD% 1.0 1.8 3.6 441 375 A 113 GLY HAy A 26 VAL HGx% 1.0 1.7 3.3 442 376 A 24 GLU HGx A 21 ILE HA 1.0 1.8 3.4 443 376 A 24 GLU HBy A 21 ILE HA 1.0 1.8 3.4 444 377 A 117 MET HA A 89 VAL HGy% 1.0 1.9 3.9 445 377 A 117 MET HA A 89 VAL HGx% 1.0 1.9 3.9 446 378 A 124 THR HG2% A 124 THR HA 1.0 1.5 2.5 447 379 A 89 VAL HGx% A 90 ASN HBy 1.0 2.0 5.2 448 380 A 29 ILE HG2% A 38 PRO HBy 1.0 1.9 3.9 449 381 A 104 ILE HD1% A 104 ILE HA 1.0 1.8 3.4 450 382 A 40 VAL HGy% A 116 TYR HE% 1.0 1.7 3.5 451 382 A 40 VAL HGy% A 116 TYR HD% 1.0 1.7 3.5 452 383 A 112 ASP HA A 19 LEU HDx% 1.0 1.8 3.6 453 383 A 19 LEU HDy% A 112 ASP HA 1.0 1.8 3.6 454 384 A 60 VAL HGy% A 101 MET HGx 1.0 1.7 3.3 455 385 A 19 LEU HBx A 20 ALA HA 1.0 2.0 6.6 456 386 A 68 GLN HBx A 64 LEU HDx% 1.0 1.9 4.3 457 386 A 64 LEU HDy% A 68 GLN HBx 1.0 1.9 4.3 458 387 A 69 PHE HA A 64 LEU HDx% 1.0 1.8 3.6 459 387 A 64 LEU HDy% A 69 PHE HA 1.0 1.8 3.6 460 388 A 101 MET HGx A 64 LEU HBx 1.0 1.9 3.9 461 389 A 53 LEU HDy% A 77 MET HA 1.0 1.7 2.9 462 389 A 77 MET HA A 53 LEU HDx% 1.0 1.7 2.9 463 390 A 73 ILE HG2% A 53 LEU HDx% 1.0 1.6 2.8 464 390 A 53 LEU HDy% A 73 ILE HG2% 1.0 1.6 2.8 465 391 A 99 ALA HB% A 104 ILE HA 1.0 2.0 4.8 466 392 A 89 VAL HGy% A 117 MET HGx 1.0 2.0 5.8 467 393 A 105 TYR HA A 115 VAL HGx% 1.0 1.9 4.7 468 394 A 37 ILE HG2% A 37 ILE HB 1.0 2.0 4.8 469 395 A 36 LYS HGy A 33 PHE HBy 1.0 2.0 5.2 470 396 A 105 TYR HBx A 115 VAL HGx% 1.0 1.9 5.7 471 397 A 78 VAL HA A 78 VAL HGx% 1.0 1.5 2.7 472 398 A 99 ALA HB% A 103 GLU HBy 1.0 1.8 3.8 473 398 A 99 ALA HB% A 66 MET HGy 1.0 1.8 3.8 474 399 A 59 LEU HA A 59 LEU HDx% 1.0 1.8 3.6 475 399 A 59 LEU HDy% A 59 LEU HA 1.0 1.8 3.6 476 400 A 59 LEU HDy% A 59 LEU HG 1.0 1.6 2.8 477 400 A 59 LEU HG A 59 LEU HDx% 1.0 1.6 2.8 478 401 A 121 SER HA A 50 LEU HDx% 1.0 2.0 5.6 479 401 A 50 LEU HDy% A 121 SER HA 1.0 2.0 5.6 480 402 A 99 ALA HA A 99 ALA HB% 1.0 1.5 2.7 481 403 A 59 LEU HG A 59 LEU HDx% 1.0 1.7 3.1 482 403 A 59 LEU HDy% A 59 LEU HG 1.0 1.7 3.1 483 404 A 88 LEU HG A 88 LEU HDx% 1.0 1.5 2.7 484 404 A 88 LEU HDy% A 88 LEU HG 1.0 1.5 2.7 485 405 A 116 TYR HD% A 110 ASP H 1.0 1.9 4.1 486 406 A 64 LEU HBx A 101 MET H 1.0 2.0 4.8 487 407 A 33 PHE HD% A 36 LYS H 1.0 1.9 5.3 488 408 A 108 TYR HE% A 107 ASP H 1.0 1.9 4.9 489 409 A 44 TYR HE% A 47 GLU H 1.0 2.0 5.6 490 410 A 49 PHE H A 47 GLU HGy 1.0 1.9 5.5 491 411 A 101 MET H A 64 LEU H 1.0 2.0 5.8 492 412 A 114 PHE HD% A 39 VAL H 1.0 2.0 5.0 493 413 A 87 LEU HA A 120 ALA H 1.0 2.0 5.4 494 414 A 99 ALA H A 66 MET HBy 1.0 2.0 6.0 495 415 A 44 TYR H A 43 ARG HBx 1.0 2.0 5.2 496 415 A 44 TYR H A 43 ARG HBy 1.0 2.0 5.2 497 416 A 120 ALA HB% A 44 TYR H 1.0 1.9 4.5 498 417 A 116 TYR HD% A 40 VAL H 1.0 2.0 4.8 499 418 A 40 VAL H A 117 MET H 1.0 2.0 5.0 500 419 A 116 TYR HA A 40 VAL H 1.0 1.9 4.1 501 420 A 116 TYR H A 115 VAL HA 1.0 1.9 4.1 502 421 A 115 VAL HGy% A 116 TYR H 1.0 1.8 4.0 503 421 A 115 VAL HGx% A 116 TYR H 1.0 1.8 4.0 504 422 A 41 VAL H A 58 PHE HD% 1.0 2.0 5.4 505 423 A 56 THR HG2% A 41 VAL H 1.0 1.9 4.5 506 424 A 84 ALA H A 85 PHE H 1.0 1.9 4.5 507 425 A 41 VAL H A 41 VAL HA 1.0 1.8 4.0 508 426 A 56 THR HA A 41 VAL H 1.0 1.8 4.0 509 427 A 90 ASN H A 91 ASN H 1.0 1.9 3.9 510 428 A 117 MET HA A 90 ASN H 1.0 1.9 4.7 511 429 A 89 VAL HA A 90 ASN H 1.0 1.6 2.8 512 430 A 38 PRO HBx A 39 VAL H 1.0 2.0 4.6 513 431 A 39 VAL H A 60 VAL H 1.0 2.0 5.0 514 432 A 38 PRO HA A 39 VAL H 1.0 1.7 3.3 515 433 A 110 ASP H A 111 GLU H 1.0 2.0 4.8 516 434 A 111 GLU H A 110 ASP HA 1.0 1.5 2.7 517 435 A 111 GLU H A 110 ASP HBx 1.0 1.9 4.3 518 436 A 109 LYS HA A 110 ASP H 1.0 1.8 3.4 519 437 A 110 ASP H A 109 LYS HGx 1.0 1.8 3.8 520 437 A 109 LYS HBx A 110 ASP H 1.0 1.8 3.8 521 438 A 99 ALA H A 100 THR H 1.0 1.9 4.7 522 439 A 99 ALA H A 97 MET H 1.0 2.0 5.0 523 440 A 99 ALA H A 98 SER H 1.0 1.7 3.1 524 441 A 96 SER HBx A 97 MET H 1.0 1.9 4.1 525 441 A 96 SER HBy A 97 MET H 1.0 1.9 4.1 526 442 A 49 PHE H A 50 LEU H 1.0 1.9 4.5 527 443 A 39 VAL H A 58 PHE H 1.0 1.9 4.9 528 444 A 57 LYS HA A 58 PHE H 1.0 1.7 3.1 529 445 A 40 VAL HA A 58 PHE H 1.0 1.8 3.8 530 446 A 58 PHE H A 57 LYS HBx 1.0 1.9 3.9 531 447 A 81 ALA H A 80 ARG HA 1.0 1.6 2.8 532 448 A 49 PHE H A 48 THR H 1.0 1.8 4.0 533 449 A 48 THR HG2% A 49 PHE H 1.0 1.9 4.9 534 450 A 29 ILE H A 30 ARG H 1.0 1.8 3.8 535 451 A 29 ILE H A 27 ALA H 1.0 2.0 5.2 536 452 A 26 VAL HA A 29 ILE H 1.0 1.9 4.1 537 453 A 27 ALA HB% A 29 ILE H 1.0 1.9 6.0 538 454 A 20 ALA HB% A 19 LEU H 1.0 1.9 4.1 539 455 A 18 SER HA A 19 LEU H 1.0 1.7 3.1 540 456 A 19 LEU HBx A 19 LEU H 1.0 1.8 3.6 541 457 A 72 ILE H A 73 ILE H 1.0 1.8 3.8 542 458 A 69 PHE HA A 72 ILE H 1.0 1.9 4.5 543 459 A 72 ILE H A 71 SER HBx 1.0 1.8 3.4 544 459 A 71 SER HA A 72 ILE H 1.0 1.8 3.4 545 460 A 72 ILE HA A 72 ILE H 1.0 1.8 3.6 546 461 A 72 ILE HB A 72 ILE H 1.0 1.7 3.3 547 462 A 1 MET H A 1 MET HA 1.0 1.5 6.0 548 463 A 88 LEU H A 118 THR H 1.0 2.0 5.2 549 464 A 86 TYR HA A 86 TYR H 1.0 1.8 3.6 550 465 A 86 TYR H A 85 PHE HBx 1.0 1.8 3.8 551 466 A 120 ALA HB% A 86 TYR H 1.0 2.0 6.0 552 467 A 25 GLU H A 24 GLU H 1.0 1.8 3.6 553 468 A 25 GLU HA A 25 GLU H 1.0 1.6 3.0 554 469 A 66 MET HA A 69 PHE H 1.0 1.8 3.6 555 470 A 68 GLN HA A 69 PHE H 1.0 1.9 4.7 556 471 A 68 GLN HBx A 69 PHE H 1.0 1.9 4.5 557 472 A 70 LEU HBy A 69 PHE H 1.0 2.0 4.4 558 473 A 21 ILE HA A 22 ARG H 1.0 1.9 4.1 559 474 A 21 ILE HG1x A 22 ARG H 1.0 1.8 6.0 560 475 A 27 ALA H A 28 GLY H 1.0 1.7 3.5 561 476 A 26 VAL HA A 27 ALA H 1.0 2.0 5.0 562 477 A 26 VAL HB A 27 ALA H 1.0 1.7 3.3 563 478 A 27 ALA HB% A 27 ALA H 1.0 1.6 2.8 564 479 A 26 VAL HGy% A 27 ALA H 1.0 1.9 4.1 565 480 A 52 PRO HBy A 53 LEU H 1.0 1.8 4.0 566 481 A 53 LEU H A 54 ASP H 1.0 2.0 4.8 567 482 A 52 PRO HA A 53 LEU H 1.0 1.7 3.1 568 483 A 83 GLU H A 82 THR H 1.0 1.8 3.6 569 484 A 82 THR HA A 83 GLU H 1.0 1.7 3.1 570 485 A 81 ALA HB% A 83 GLU H 1.0 1.9 4.1 571 486 A 83 GLU H A 82 THR HG2% 1.0 1.9 4.5 572 487 A 59 LEU HBy A 60 VAL H 1.0 2.0 5.6 573 488 A 59 LEU HA A 60 VAL H 1.0 1.7 3.1 574 489 A 36 LYS HA A 37 ILE H 1.0 1.8 3.6 575 490 A 36 LYS HBx A 37 ILE H 1.0 1.8 3.8 576 491 A 60 VAL HGy% A 37 ILE H 1.0 1.8 4.0 577 491 A 37 ILE HG1y A 37 ILE H 1.0 1.8 4.0 578 492 A 60 VAL H A 37 ILE H 1.0 1.9 4.5 579 493 A 79 LEU HA A 80 ARG H 1.0 1.7 3.1 580 494 A 80 ARG HA A 80 ARG H 1.0 1.9 3.9 581 495 A 80 ARG H A 80 ARG HBx 1.0 1.7 3.1 582 496 A 81 ALA H A 80 ARG H 1.0 2.0 5.0 583 497 A 38 PRO HA A 60 VAL H 1.0 2.0 5.6 584 498 A 41 VAL HA A 42 GLU H 1.0 1.8 3.6 585 499 A 124 THR HG2% A 125 PHE H 1.0 1.9 4.5 586 500 A 125 PHE H A 124 THR HB 1.0 1.9 4.3 587 501 A 44 TYR HBx A 47 GLU H 1.0 2.0 5.0 588 502 A 44 TYR HBy A 47 GLU H 1.0 2.0 5.0 589 503 A 47 GLU H A 47 GLU HBy 1.0 1.8 3.8 590 503 A 47 GLU H A 47 GLU HBx 1.0 1.8 3.8 591 504 A 44 TYR HD% A 47 GLU H 1.0 2.0 5.0 592 505 A 47 GLU H A 46 ARG H 1.0 1.9 4.1 593 506 A 47 GLU H A 46 ARG HA 1.0 1.9 4.1 594 507 A 64 LEU H A 61 PRO HBx 1.0 1.9 4.5 595 507 A 61 PRO HBy A 64 LEU H 1.0 1.9 4.5 596 508 A 64 LEU H A 64 LEU HA 1.0 1.7 3.3 597 509 A 64 LEU H A 63 GLU HBx 1.0 1.9 4.1 598 510 A 10 VAL HA A 10 VAL H 1.0 1.6 3.0 599 511 A 64 LEU H A 65 THR H 1.0 1.9 4.3 600 512 A 69 PHE H A 68 GLN H 1.0 1.9 3.9 601 513 A 65 THR H A 68 GLN H 1.0 1.9 4.5 602 514 A 68 GLN HA A 68 GLN H 1.0 1.8 3.4 603 515 A 67 THR HG2% A 68 GLN H 1.0 1.7 3.5 604 516 A 78 VAL HA A 79 LEU H 1.0 1.8 3.4 605 517 A 78 VAL HB A 79 LEU H 1.0 1.9 4.3 606 518 A 79 LEU HA A 79 LEU H 1.0 1.8 3.6 607 519 A 77 MET HA A 79 LEU H 1.0 1.9 4.5 608 520 A 101 MET H A 102 ALA H 1.0 1.8 4.0 609 521 A 54 ASP H A 55 LYS H 1.0 1.8 3.8 610 522 A 100 THR HA A 102 ALA H 1.0 1.9 4.9 611 523 A 53 LEU HA A 54 ASP H 1.0 1.6 3.0 612 524 A 102 ALA H A 103 GLU H 1.0 1.9 3.9 613 525 A 62 GLN HA A 102 ALA H 1.0 1.9 4.3 614 526 A 103 GLU HGx A 102 ALA H 1.0 1.8 6.0 615 526 A 103 GLU HGy A 102 ALA H 1.0 1.8 6.0 616 527 A 37 ILE HD1% A 102 ALA H 1.0 1.9 4.7 617 528 A 21 ILE HG2% A 24 GLU H 1.0 1.8 4.0 618 529 A 21 ILE HA A 24 GLU H 1.0 1.9 4.7 619 530 A 23 GLN HBy A 24 GLU H 1.0 1.9 4.1 620 531 A 27 ALA HB% A 24 GLU H 1.0 2.0 5.0 621 532 A 102 ALA HB% A 105 TYR H 1.0 2.0 4.8 622 533 A 24 GLU H A 23 GLN H 1.0 1.9 4.3 623 534 A 104 ILE HB A 105 TYR H 1.0 1.9 4.1 624 535 A 105 TYR H A 104 ILE H 1.0 1.9 4.3 625 536 A 106 ARG H A 105 TYR H 1.0 1.8 3.6 626 537 A 104 ILE HG2% A 105 TYR H 1.0 1.8 3.4 627 538 A 37 ILE HG2% A 105 TYR H 1.0 1.9 4.1 628 539 A 37 ILE HD1% A 105 TYR H 1.0 1.9 4.5 629 540 A 86 TYR HD% A 87 LEU H 1.0 1.9 4.3 630 541 A 86 TYR H A 87 LEU H 1.0 2.0 5.6 631 542 A 86 TYR HA A 87 LEU H 1.0 1.7 3.1 632 543 A 86 TYR HBx A 87 LEU H 1.0 1.8 3.6 633 544 A 114 PHE HE% A 26 VAL H 1.0 1.8 4.0 634 545 A 25 GLU HA A 26 VAL H 1.0 1.7 6.0 635 546 A 26 VAL HA A 26 VAL H 1.0 1.8 3.8 636 547 A 26 VAL HB A 26 VAL H 1.0 1.6 2.8 637 548 A 27 ALA HB% A 26 VAL H 1.0 1.9 6.0 638 549 A 22 ARG HA A 26 VAL H 1.0 1.8 3.8 639 550 A 73 ILE H A 74 ARG H 1.0 1.9 4.3 640 551 A 72 ILE HA A 73 ILE H 1.0 2.0 4.8 641 551 A 70 LEU HA A 73 ILE H 1.0 2.0 4.8 642 552 A 72 ILE HG2% A 73 ILE H 1.0 1.8 3.4 643 553 A 71 SER HA A 73 ILE H 1.0 1.9 6.0 644 554 A 73 ILE HA A 76 ARG H 1.0 1.8 3.6 645 555 A 57 LYS H A 56 THR H 1.0 1.8 3.6 646 556 A 56 THR HA A 57 LYS H 1.0 1.9 4.3 647 557 A 57 LYS H A 56 THR HB 1.0 2.0 5.0 648 558 A 57 LYS H A 55 LYS HA 1.0 1.9 4.5 649 559 A 101 MET HE% A 66 MET H 1.0 1.8 3.8 650 560 A 65 THR HA A 66 MET H 1.0 1.8 3.6 651 561 A 66 MET HA A 66 MET H 1.0 1.8 3.4 652 561 A 65 THR HB A 66 MET H 1.0 1.8 3.4 653 562 A 102 ALA HA A 103 GLU H 1.0 2.0 5.6 654 563 A 102 ALA HB% A 103 GLU H 1.0 1.8 3.6 655 564 A 103 GLU H A 104 ILE H 1.0 1.8 3.8 656 565 A 116 TYR HD% A 117 MET H 1.0 1.9 5.1 657 566 A 116 TYR HA A 117 MET H 1.0 1.7 3.3 658 567 A 40 VAL HB A 117 MET H 1.0 1.9 4.7 659 568 A 117 MET H A 116 TYR H 1.0 1.9 5.1 660 569 A 61 PRO HBx A 62 GLN H 1.0 2.0 4.4 661 569 A 61 PRO HBy A 62 GLN H 1.0 2.0 4.4 662 570 A 36 LYS HA A 62 GLN H 1.0 1.9 4.1 663 571 A 61 PRO HA A 62 GLN H 1.0 1.7 3.1 664 572 A 101 MET HA A 103 GLU H 1.0 2.0 5.2 665 573 A 55 LYS H A 54 ASP HBy 1.0 2.0 5.2 666 574 A 53 LEU HBy A 55 LYS H 1.0 1.8 3.8 667 575 A 55 LYS H A 56 THR H 1.0 1.9 5.1 668 576 A 55 LYS H A 55 LYS HA 1.0 1.8 3.4 669 577 A 55 LYS H A 54 ASP HBx 1.0 2.0 5.4 670 578 A 100 THR HA A 101 MET H 1.0 1.8 3.8 671 579 A 101 MET HBx A 101 MET H 1.0 1.9 3.9 672 579 A 101 MET HBy A 101 MET H 1.0 1.9 3.9 673 580 A 101 MET H A 100 THR HG2% 1.0 1.8 6.0 674 581 A 101 MET H A 100 THR HB 1.0 1.8 3.8 675 582 A 101 MET HA A 101 MET H 1.0 1.8 4.0 676 583 A 120 ALA H A 86 TYR H 1.0 1.9 4.7 677 584 A 119 TYR HA A 120 ALA H 1.0 1.8 3.8 678 585 A 86 TYR HBx A 120 ALA H 1.0 1.9 4.9 679 586 A 119 TYR HBy A 120 ALA H 1.0 1.9 4.3 680 587 A 95 VAL H A 94 LEU HA 1.0 1.6 2.8 681 588 A 104 ILE H A 103 GLU HA 1.0 1.9 4.1 682 589 A 103 GLU HGx A 104 ILE H 1.0 1.8 3.8 683 589 A 103 GLU HGy A 104 ILE H 1.0 1.8 3.8 684 590 A 110 ASP HA A 112 ASP H 1.0 2.0 5.2 685 591 A 110 ASP HBy A 112 ASP H 1.0 1.9 4.7 686 592 A 112 ASP H A 111 GLU HGy 1.0 2.0 5.0 687 592 A 112 ASP H A 111 GLU HGx 1.0 2.0 5.0 688 593 A 112 ASP H A 111 GLU HBy 1.0 1.9 4.7 689 594 A 110 ASP HBx A 112 ASP H 1.0 2.0 5.2 690 595 A 112 ASP H A 19 LEU HDx% 1.0 1.9 4.9 691 595 A 19 LEU HDy% A 112 ASP H 1.0 1.9 4.9 692 596 A 69 PHE H A 70 LEU H 1.0 1.9 3.9 693 597 A 69 PHE HD% A 70 LEU H 1.0 1.9 4.5 694 598 A 69 PHE HBy A 70 LEU H 1.0 1.8 3.6 695 599 A 70 LEU HBy A 70 LEU H 1.0 1.6 2.8 696 600 A 86 TYR HA A 120 ALA H 1.0 1.9 5.1 697 601 A 109 LYS H A 110 ASP H 1.0 1.9 6.0 698 602 A 108 TYR HD% A 109 LYS H 1.0 1.9 4.7 699 603 A 109 LYS H A 108 TYR HBx 1.0 1.9 4.7 700 604 A 109 LYS H A 108 TYR H 1.0 1.8 3.4 701 605 A 21 ILE HA A 21 ILE H 1.0 1.9 3.9 702 606 A 18 SER H A 17 LYS HA 1.0 1.7 3.3 703 607 A 77 MET HA A 78 VAL H 1.0 1.8 3.4 704 608 A 78 VAL H A 77 MET HBy 1.0 2.0 4.6 705 609 A 109 LYS H A 108 TYR HA 1.0 1.8 4.0 706 610 A 20 ALA HB% A 21 ILE H 1.0 1.8 3.6 707 611 A 22 ARG H A 21 ILE H 1.0 1.8 3.6 708 612 A 18 SER HBy A 21 ILE H 1.0 1.9 4.1 709 613 A 26 VAL HA A 30 ARG H 1.0 2.0 5.2 710 614 A 19 LEU H A 20 ALA H 1.0 1.8 3.8 711 615 A 21 ILE H A 20 ALA H 1.0 1.8 3.6 712 616 A 19 LEU HG A 20 ALA H 1.0 1.7 3.3 713 617 A 18 SER HBx A 20 ALA H 1.0 1.8 3.8 714 618 A 21 ILE HG1x A 18 SER H 1.0 1.7 3.3 715 618 A 18 SER H A 17 LYS HBy 1.0 1.7 3.3 716 619 A 21 ILE HB A 18 SER H 1.0 1.9 4.1 717 620 A 123 GLU H A 122 GLN HGy 1.0 1.8 3.8 718 620 A 123 GLU H A 122 GLN HBy 1.0 1.8 3.8 719 621 A 79 LEU H A 78 VAL H 1.0 1.8 3.4 720 622 A 30 ARG H A 31 ALA H 1.0 1.9 4.1 721 623 A 29 ILE HA A 30 ARG H 1.0 1.7 3.3 722 623 A 27 ALA HA A 30 ARG H 1.0 1.7 3.3 723 624 A 29 ILE HG2% A 30 ARG H 1.0 1.8 3.8 724 625 A 123 GLU H A 123 GLU HA 1.0 1.8 3.6 725 626 A 122 GLN HA A 123 GLU H 1.0 1.7 3.3 726 627 A 30 ARG HBy A 31 ALA H 1.0 1.8 3.8 727 628 A 85 PHE H A 86 TYR H 1.0 1.9 5.5 728 629 A 84 ALA HA A 85 PHE H 1.0 1.5 2.7 729 630 A 84 ALA HB% A 85 PHE H 1.0 1.7 3.3 730 631 A 91 ASN H A 92 LYS H 1.0 1.8 3.6 731 632 A 92 LYS H A 93 SER H 1.0 1.8 3.4 732 633 A 92 LYS H A 91 ASN HBx 1.0 1.9 4.5 733 634 A 92 LYS H A 92 LYS HBx 1.0 1.6 3.0 734 635 A 92 LYS H A 91 ASN HA 1.0 1.8 3.8 735 636 A 36 LYS H A 37 ILE H 1.0 1.9 4.7 736 637 A 36 LYS H A 35 ASN H 1.0 1.6 3.0 737 638 A 78 VAL H A 77 MET H 1.0 1.9 4.9 738 639 A 36 LYS HA A 36 LYS H 1.0 1.7 3.1 739 640 A 36 LYS H A 35 ASN HBx 1.0 1.7 3.3 740 641 A 74 ARG H A 75 SER H 1.0 1.7 3.3 741 641 A 73 ILE H A 74 ARG H 1.0 1.7 3.3 742 642 A 71 SER HA A 74 ARG H 1.0 1.9 4.3 743 643 A 73 ILE HG2% A 74 ARG H 1.0 1.8 3.8 744 644 A 73 ILE HA A 74 ARG H 1.0 1.8 4.0 745 645 A 72 ILE HG2% A 74 ARG H 1.0 1.9 6.0 746 646 A 31 ALA HA A 33 PHE H 1.0 2.0 5.0 747 647 A 33 PHE HBy A 33 PHE H 1.0 1.9 4.1 748 648 A 33 PHE H A 32 LYS H 1.0 1.6 3.0 749 649 A 32 LYS HA A 33 PHE H 1.0 1.8 3.6 750 649 A 29 ILE HA A 33 PHE H 1.0 1.8 3.6 751 650 A 31 ALA HA A 32 LYS H 1.0 1.9 4.3 752 651 A 31 ALA HB% A 32 LYS H 1.0 1.6 3.0 753 652 A 29 ILE HA A 32 LYS H 1.0 1.8 3.6 754 653 A 23 GLN HBy A 23 GLN H 1.0 1.9 4.1 755 654 A 22 ARG H A 23 GLN H 1.0 1.9 4.3 756 655 A 20 ALA HA A 23 GLN H 1.0 1.7 3.5 757 656 A 33 PHE HA A 33 PHE H 1.0 1.8 4.0 758 657 A 33 PHE H A 32 LYS HGx 1.0 1.8 3.8 759 657 A 33 PHE H A 32 LYS HBx 1.0 1.8 3.8 760 658 A 33 PHE HBx A 33 PHE H 1.0 1.8 4.0 761 659 A 40 VAL H A 115 VAL H 1.0 2.0 5.0 762 660 A 114 PHE HD% A 115 VAL H 1.0 1.8 3.6 763 661 A 115 VAL H A 114 PHE HBx 1.0 1.8 3.8 764 662 A 39 VAL HGx% A 115 VAL H 1.0 1.9 4.5 765 662 A 37 ILE HG2% A 115 VAL H 1.0 1.9 4.5 766 663 A 114 PHE HA A 115 VAL H 1.0 1.8 3.4 767 664 A 115 VAL H A 114 PHE HBy 1.0 1.9 4.3 768 665 A 48 THR H A 47 GLU HA 1.0 1.7 3.5 769 666 A 48 THR HG2% A 48 THR H 1.0 1.9 3.9 770 667 A 48 THR H A 47 GLU HGx 1.0 1.9 4.7 771 668 A 106 ARG H A 106 ARG HBx 1.0 1.8 3.4 772 669 A 62 GLN H A 63 GLU H 1.0 1.8 4.0 773 670 A 64 LEU H A 63 GLU H 1.0 1.7 3.3 774 671 A 61 PRO HBx A 63 GLU H 1.0 1.8 4.2 775 671 A 61 PRO HBy A 63 GLU H 1.0 1.8 4.2 776 672 A 126 GLY H A 125 PHE HD% 1.0 1.8 3.8 777 673 A 125 PHE HBy A 126 GLY H 1.0 1.8 3.6 778 674 A 106 ARG H A 106 ARG HGy 1.0 1.9 4.7 779 675 A 106 ARG H A 106 ARG HA 1.0 1.7 3.3 780 676 A 105 TYR HBx A 106 ARG H 1.0 1.8 3.6 781 677 A 66 MET H A 67 THR H 1.0 1.8 3.6 782 678 A 68 GLN H A 67 THR H 1.0 1.8 3.8 783 679 A 65 THR HA A 67 THR H 1.0 2.0 4.8 784 680 A 65 THR HB A 67 THR H 1.0 1.6 3.0 785 681 A 66 MET HBy A 67 THR H 1.0 1.7 3.3 786 682 A 70 LEU H A 67 THR H 1.0 2.0 4.8 787 683 A 121 SER H A 120 ALA HA 1.0 1.9 4.5 788 684 A 109 LYS H A 108 TYR H 1.0 1.7 3.3 789 685 A 107 ASP HA A 108 TYR H 1.0 1.9 4.1 790 686 A 104 ILE HA A 108 TYR H 1.0 2.0 4.6 791 687 A 108 TYR H A 107 ASP HBx 1.0 1.8 3.8 792 688 A 107 ASP HBy A 108 TYR H 1.0 1.8 3.6 793 689 A 44 TYR H A 119 TYR H 1.0 2.0 4.8 794 690 A 118 THR HA A 119 TYR H 1.0 1.9 4.1 795 691 A 56 THR H A 55 LYS HBy 1.0 1.9 3.9 796 692 A 104 ILE HA A 107 ASP H 1.0 2.0 5.2 797 693 A 106 ARG HA A 107 ASP H 1.0 1.8 3.8 798 694 A 107 ASP H A 106 ARG HBy 1.0 1.9 3.9 799 695 A 104 ILE HG2% A 107 ASP H 1.0 2.0 5.0 800 696 A 34 PRO HA A 35 ASN H 1.0 1.8 6.0 801 697 A 35 ASN H A 35 ASN HBx 1.0 1.6 3.0 802 698 A 34 PRO HBy A 35 ASN H 1.0 1.8 3.4 803 699 A 33 PHE HA A 35 ASN H 1.0 1.9 4.7 804 700 A 56 THR H A 55 LYS HA 1.0 1.7 3.5 805 701 A 34 PRO HBx A 35 ASN H 1.0 1.9 4.1 806 702 A 89 VAL HA A 118 THR H 1.0 2.0 5.4 807 703 A 117 MET HGx A 118 THR H 1.0 2.0 5.0 808 704 A 117 MET H A 118 THR H 1.0 1.9 5.3 809 704 A 90 ASN H A 118 THR H 1.0 1.9 5.3 810 705 A 117 MET HA A 118 THR H 1.0 1.8 3.4 811 706 A 118 THR H A 117 MET HBy 1.0 1.8 4.2 812 707 A 118 THR H A 117 MET HBx 1.0 1.8 4.2 813 708 A 117 MET HGy A 118 THR H 1.0 1.9 4.7 814 709 A 74 ARG H A 75 SER H 1.0 1.9 3.9 815 710 A 72 ILE HG2% A 75 SER H 1.0 1.9 4.3 816 711 A 97 MET H A 98 SER H 1.0 1.8 3.6 817 712 A 98 SER H A 97 MET HBy 1.0 1.9 4.7 818 713 A 99 ALA HB% A 98 SER H 1.0 1.9 3.9 819 714 A 97 MET HA A 98 SER H 1.0 1.6 3.0 820 714 A 96 SER HA A 98 SER H 1.0 1.6 3.0 821 715 A 98 SER H A 97 MET HBx 1.0 1.9 4.3 822 716 A 72 ILE HA A 75 SER H 1.0 2.0 4.6 823 717 A 74 ARG HA A 75 SER H 1.0 1.9 4.5 824 717 A 73 ILE HA A 75 SER H 1.0 1.9 4.5 825 718 A 64 LEU HA A 65 THR H 1.0 1.7 3.3 826 719 A 68 GLN HBx A 65 THR H 1.0 1.7 3.5 827 720 A 70 LEU H A 71 SER H 1.0 1.8 3.4 828 721 A 72 ILE H A 71 SER H 1.0 1.8 3.8 829 722 A 69 PHE HA A 71 SER H 1.0 2.0 5.8 830 723 A 123 GLU HA A 124 THR H 1.0 1.8 4.0 831 724 A 125 PHE H A 124 THR H 1.0 1.8 3.4 832 724 A 123 GLU H A 124 THR H 1.0 1.8 3.4 833 725 A 62 GLN HE22 A 62 GLN HE21 1.0 1.4 2.2 834 726 A 62 GLN HBy A 62 GLN HE21 1.0 1.9 4.7 835 727 A 62 GLN HBy A 62 GLN HE22 1.0 2.0 5.6 836 728 A 91 ASN H A 92 LYS H 1.0 1.9 4.1 837 729 A 100 THR H A 103 GLU H 1.0 2.0 5.0 838 730 A 99 ALA HA A 100 THR H 1.0 1.6 2.8 839 731 A 103 GLU HBy A 100 THR H 1.0 1.8 4.0 840 731 A 103 GLU HBx A 100 THR H 1.0 1.8 4.0 841 732 A 99 ALA HB% A 100 THR H 1.0 1.7 3.1 842 733 A 81 ALA H A 82 THR H 1.0 1.9 4.3 843 734 A 81 ALA HA A 82 THR H 1.0 1.7 3.3 844 735 A 81 ALA HB% A 82 THR H 1.0 1.7 3.5 845 736 A 26 VAL HA A 28 GLY H 1.0 2.0 5.2 846 737 A 29 ILE HB A 28 GLY H 1.0 1.9 6.0 847 738 A 27 ALA HB% A 28 GLY H 1.0 1.7 3.1 848 739 A 26 VAL HGy% A 113 GLY H 1.0 1.9 5.1 849 740 A 113 GLY H A 114 PHE H 1.0 1.8 3.8 850 741 A 110 ASP HA A 113 GLY H 1.0 2.0 5.0 851 742 A 112 ASP HA A 113 GLY H 1.0 1.9 4.5 852 743 A 110 ASP HBx A 113 GLY H 1.0 1.9 4.7 853 744 A 110 ASP HBy A 113 GLY H 1.0 2.0 4.6 854 745 A 93 SER HBx A 92 LYS H 1.0 2.0 5.8 855 746 A 106 ARG HA A 108 TYR H 1.0 1.9 5.1 856 747 A 121 SER H A 122 GLN H 1.0 2.0 6.0 857 748 A 122 GLN HA A 121 SER H 1.0 2.0 6.6 858 749 A 123 GLU H A 122 GLN H 1.0 1.9 5.1 859 750 A 36 LYS HA A 60 VAL H 1.0 2.0 5.2 860 751 A 47 GLU H A 48 THR H 1.0 1.9 5.1 861 752 A 120 ALA H A 119 TYR H 1.0 2.0 5.8 862 753 A 86 TYR HD% A 120 ALA H 1.0 2.0 5.2 863 754 A 105 TYR HD% A 115 VAL H 1.0 1.9 5.1 864 755 A 115 VAL HB A 116 TYR H 1.0 2.0 5.4 865 756 A 117 MET H A 116 TYR HBy 1.0 2.0 5.6 866 756 A 117 MET H A 116 TYR HBx 1.0 2.0 5.6 867 757 A 110 ASP H A 113 GLY H 1.0 2.0 6.0 868 758 A 113 GLY H A 111 GLU HA 1.0 1.9 4.9 869 759 A 107 ASP H A 105 TYR H 1.0 2.0 6.6 870 760 A 108 TYR HD% A 107 ASP H 1.0 1.9 4.1 871 761 A 33 PHE HBy A 35 ASN H 1.0 2.0 4.6 872 762 A 69 PHE H A 65 THR H 1.0 2.0 5.4 873 763 A 68 GLN H A 70 LEU H 1.0 2.0 5.6 874 764 A 67 THR HG2% A 70 LEU H 1.0 2.0 5.4 875 765 A 58 PHE H A 57 LYS H 1.0 1.9 7.9 876 766 A 49 PHE H A 47 GLU HGx 1.0 2.0 5.0 877 767 A 50 LEU H A 49 PHE HA 1.0 1.9 5.3 878 768 A 50 LEU H A 47 GLU HGx 1.0 2.0 7.0 879 769 A 115 VAL H A 114 PHE H 1.0 2.0 6.0 880 770 A 50 LEU H A 49 PHE HBx 1.0 1.9 5.1 881 771 A 31 ALA H A 33 PHE H 1.0 2.0 5.4 882 772 A 29 ILE H A 31 ALA H 1.0 2.0 5.8 883 773 A 31 ALA H A 30 ARG HA 1.0 1.9 4.3 884 773 A 28 GLY HAx A 31 ALA H 1.0 1.9 4.3 885 774 A 30 ARG H A 28 GLY H 1.0 2.0 5.8 886 775 A 28 GLY H A 31 ALA H 1.0 2.0 6.2 887 776 A 102 ALA H A 105 TYR H 1.0 1.9 7.9 888 777 A 101 MET HA A 105 TYR H 1.0 2.0 5.6 889 778 A 106 ARG H A 108 TYR H 1.0 2.0 5.4 890 779 A 106 ARG H A 104 ILE H 1.0 2.0 5.6 891 780 A 102 ALA HA A 106 ARG H 1.0 2.0 6.6 892 781 A 105 TYR HD% A 106 ARG H 1.0 1.9 4.1 893 782 A 33 PHE HA A 36 LYS H 1.0 2.0 6.4 894 783 A 37 ILE HD1% A 103 GLU H 1.0 2.0 5.8 895 784 A 102 ALA H A 104 ILE H 1.0 2.0 5.8 896 785 A 62 GLN HA A 101 MET H 1.0 2.0 6.4 897 786 A 101 MET H A 100 THR H 1.0 2.0 6.0 898 787 A 34 PRO HA A 36 LYS H 1.0 1.9 4.5 899 788 A 33 PHE HBy A 36 LYS H 1.0 1.9 4.3 900 789 A 73 ILE HB A 72 ILE H 1.0 2.0 6.2 901 790 A 69 PHE H A 67 THR H 1.0 2.0 5.0 902 791 A 23 GLN H A 20 ALA H 1.0 2.0 6.8 903 792 A 40 VAL H A 114 PHE HBx 1.0 2.0 6.4 904 793 A 90 ASN H A 118 THR H 1.0 2.0 6.4 905 794 A 88 LEU H A 89 VAL H 1.0 2.0 5.6 906 795 A 37 ILE H A 62 GLN H 1.0 2.0 6.0 907 796 A 61 PRO HA A 37 ILE H 1.0 1.9 7.7 908 797 A 80 ARG H A 79 LEU H 1.0 1.9 5.3 909 798 A 69 PHE HBy A 68 GLN H 1.0 2.0 5.6 910 799 A 53 LEU HA A 55 LYS H 1.0 2.0 5.2 911 800 A 23 GLN H A 21 ILE H 1.0 2.0 6.0 912 801 A 74 ARG H A 71 SER H 1.0 2.0 6.0 913 802 A 72 ILE HA A 74 ARG H 1.0 2.0 5.4 914 803 A 72 ILE HB A 74 ARG H 1.0 2.0 5.4 915 804 A 73 ILE HD1% A 74 ARG H 1.0 2.0 5.6 916 805 A 73 ILE HG2% A 75 SER H 1.0 2.0 5.2 917 806 A 69 PHE H A 71 SER H 1.0 2.0 5.4 918 807 A 73 ILE H A 71 SER H 1.0 2.0 5.0 919 808 A 26 VAL HGy% A 114 PHE H 1.0 2.0 6.4 920 809 A 64 LEU H A 100 THR HB 1.0 1.9 7.5 921 810 A 55 LYS H A 53 LEU HBx 1.0 2.0 4.6 922 811 A 44 TYR H A 47 GLU HBy 1.0 2.0 5.4 923 811 A 44 TYR H A 47 GLU HBx 1.0 2.0 5.4 924 812 A 118 THR HG2% A 44 TYR H 1.0 2.0 5.0 925 813 A 19 LEU H A 21 ILE H 1.0 2.0 6.8 926 814 A 59 LEU HA A 37 ILE H 1.0 2.0 5.4 927 815 A 25 GLU HA A 29 ILE H 1.0 1.8 4.0 928 816 A 27 ALA HA A 28 GLY H 1.0 1.8 3.6 929 817 A 29 ILE HD1% A 26 VAL H 1.0 1.8 3.8 930 818 A 20 ALA HB% A 23 GLN H 1.0 2.0 5.2 931 819 A 21 ILE HG1x A 21 ILE H 1.0 1.9 4.3 932 820 A 105 TYR HA A 109 LYS H 1.0 2.0 5.4 933 821 A 85 PHE HE% A 74 ARG H 1.0 2.0 6.0 934 822 A 73 ILE HG1x A 74 ARG H 1.0 2.0 5.6 935 823 A 105 TYR HA A 108 TYR H 1.0 2.0 5.2 936 824 A 22 ARG HA A 24 GLU H 1.0 1.9 4.5 937 824 A 20 ALA HA A 24 GLU H 1.0 1.9 4.5 938 825 A 118 THR HA A 44 TYR H 1.0 2.0 6.8 939 826 A 21 ILE HG2% A 22 ARG H 1.0 1.8 3.8 940 827 A 22 ARG H A 21 ILE HG1y 1.0 2.0 5.0 941 828 A 25 GLU HGx A 26 VAL H 1.0 2.0 5.6 942 829 A 25 GLU H A 26 VAL H 1.0 1.8 3.8 943 830 A 47 GLU H A 46 ARG HBx 1.0 1.9 4.9 944 831 A 69 PHE HA A 70 LEU H 1.0 2.0 5.4 945 832 A 66 MET HA A 70 LEU H 1.0 2.0 5.2 946 833 A 72 ILE H A 74 ARG H 1.0 1.9 6.9 947 834 A 83 GLU HA A 84 ALA H 1.0 1.6 2.8 948 835 A 112 ASP H A 114 PHE H 1.0 2.0 7.2 949 836 A 110 ASP H A 114 PHE H 1.0 1.9 7.3 950 837 A 119 TYR HD% A 44 TYR H 1.0 1.5 10.7 951 838 A 34 PRO HDy A 33 PHE H 1.0 2.0 6.4 952 839 A 106 ARG H A 106 ARG HDx 1.0 2.0 7.4 953 840 A 103 GLU H A 100 THR HG2% 1.0 2.0 5.2 954 841 A 101 MET H A 103 GLU H 1.0 2.0 5.6 955 842 A 28 GLY HAx A 29 ILE H 1.0 1.6 3.0 956 843 A 83 GLU HBx A 84 ALA H 1.0 1.8 3.8 957 844 A 114 PHE HE% A 25 GLU H 1.0 1.9 4.5 958 845 A 110 ASP H A 112 ASP H 1.0 1.9 8.1 959 846 A 111 GLU H A 112 ASP H 1.0 1.7 3.5 960 847 A 111 GLU H A 113 GLY H 1.0 1.9 5.7 961 848 A 122 GLN HBy A 122 GLN H 1.0 2.0 5.2 962 849 A 30 ARG H A 32 LYS H 1.0 1.9 4.7 963 850 A 41 VAL H A 58 PHE H 1.0 2.0 5.8 964 851 A 47 GLU H A 47 GLU HA 1.0 1.9 4.1 965 852 A 119 TYR HE% A 43 ARG H 1.0 2.0 5.0 966 853 A 86 TYR HE% A 123 GLU H 1.0 1.9 4.3 967 854 A 86 TYR HD% A 123 GLU H 1.0 2.0 6.2 968 855 A 24 GLU H A 26 VAL H 1.0 2.0 5.2 969 856 A 24 GLU H A 21 ILE H 1.0 2.0 6.6 970 857 A 109 LYS H A 106 ARG HA 1.0 2.0 7.4 971 858 A 29 ILE H A 26 VAL H 1.0 2.0 5.2 972 858 A 28 GLY H A 26 VAL H 1.0 2.0 5.2 973 859 A 35 ASN H A 35 ASN HA 1.0 1.7 3.3 974 860 A 53 LEU HBy A 54 ASP H 1.0 1.8 3.8 975 861 A 102 ALA H A 103 GLU HA 1.0 2.0 6.0 976 862 A 69 PHE HD% A 72 ILE H 1.0 2.0 5.4 977 863 A 69 PHE HD% A 73 ILE H 1.0 2.0 5.6 978 864 A 73 ILE HB A 74 ARG H 1.0 1.7 3.5 979 865 A 78 VAL H A 77 MET HBx 1.0 2.0 4.8 980 866 A 90 ASN HBy A 91 ASN H 1.0 1.9 5.1 981 867 A 101 MET HA A 102 ALA H 1.0 1.9 4.7 982 868 A 103 GLU HGx A 102 ALA H 1.0 2.0 5.6 983 868 A 103 GLU HGy A 102 ALA H 1.0 2.0 5.6 984 869 A 26 VAL HGx% A 113 GLY H 1.0 2.0 4.6 985 870 A 112 ASP H A 113 GLY H 1.0 1.8 3.6 986 871 A 101 MET HA A 104 ILE H 1.0 1.9 4.5 987 872 A 103 GLU HBy A 104 ILE H 1.0 1.9 4.7 988 872 A 103 GLU HBx A 104 ILE H 1.0 1.9 4.7 989 873 A 102 ALA HA A 105 TYR H 1.0 1.9 4.1 990 874 A 106 ARG H A 107 ASP H 1.0 1.8 3.6 991 875 A 118 THR HG2% A 42 GLU H 1.0 2.0 6.2 992 876 A 31 ALA HB% A 30 ARG H 1.0 1.9 4.1 993 876 A 27 ALA HB% A 30 ARG H 1.0 1.9 4.1 994 877 A 54 ASP H A 53 LEU HBx 1.0 1.9 4.1 995 878 A 22 ARG HA A 25 GLU H 1.0 2.0 4.8 996 879 A 114 PHE HA A 115 VAL H 1.0 1.9 4.7 997 880 A 117 MET H A 118 THR H 1.0 2.0 6.0 998 881 A 39 VAL HA A 115 VAL H 1.0 1.9 4.5 999 882 A 59 LEU HA A 39 VAL H 1.0 2.0 4.6 1000 883 A 80 ARG H A 79 LEU HDx% 1.0 1.9 3.9 1001 883 A 80 ARG H A 79 LEU HDy% 1.0 1.9 3.9 1002 884 A 44 TYR HD% A 46 ARG H 1.0 0.7 13.9 1003 885 A 44 TYR HE% A 46 ARG H 1.0 1.9 5.3 1004 886 A 37 ILE HB A 60 VAL H 1.0 1.9 4.9 1005 887 A 85 PHE HD% A 120 ALA H 1.0 2.0 6.6 1006 888 A 91 ASN H A 93 SER H 1.0 1.9 4.3 1007 888 A 93 SER H A 89 VAL H 1.0 1.9 4.3 1008 889 A 85 PHE HD% A 86 TYR H 1.0 1.9 4.1 1009 890 A 109 LYS H A 108 TYR HBy 1.0 1.9 7.7 1010 891 A 119 TYR HE% A 53 LEU H 1.0 1.9 5.1 1011 892 A 57 LYS H A 56 THR H 1.0 1.8 4.0 1012 893 A 36 LYS H A 35 ASN H 1.0 1.6 3.0 1013 894 A 24 GLU H A 23 GLN H 1.0 2.0 4.6 1014 895 A 29 ILE H A 30 ARG H 1.0 1.9 4.1 1015 896 A 70 LEU H A 71 SER H 1.0 1.8 4.0 1016 897 A 112 ASP H A 113 GLY H 1.0 2.0 5.0 1017 898 A 111 GLU H A 112 ASP H 1.0 2.0 5.0 1018 899 A 69 PHE H A 68 GLN H 1.0 1.9 3.9 1019 900 A 97 MET H A 98 SER H 1.0 1.9 4.1 1020 901 A 36 LYS H A 37 ILE H 1.0 2.0 6.0 1021 902 A 49 PHE H A 48 THR H 1.0 1.8 4.0 1022 903 A 47 GLU H A 48 THR H 1.0 2.0 6.6 1023 904 A 49 PHE H A 50 LEU H 1.0 2.0 5.6 1024 905 A 66 MET H A 67 THR H 1.0 2.0 4.8 1025 906 A 102 ALA H A 103 GLU H 1.0 1.9 4.3 1026 907 A 54 ASP H A 55 LYS H 1.0 1.9 3.9 1027 908 A 62 GLN H A 63 GLU H 1.0 1.9 4.1 1028 909 A 41 VAL H A 58 PHE H 1.0 2.0 5.8 1029 910 A 64 LEU H A 63 GLU H 1.0 1.8 3.6 1030 911 A 125 PHE H A 124 THR H 1.0 1.9 4.3 1031 912 A 125 PHE H A 126 GLY H 1.0 2.0 5.0 1032 913 A 22 ARG H A 21 ILE H 1.0 1.9 4.1 1033 914 A 69 PHE H A 70 LEU H 1.0 1.8 4.0 1034 915 A 113 GLY H A 114 PHE H 1.0 1.9 4.5 1035 916 A 68 GLN H A 67 THR H 1.0 1.9 4.3 1036 917 A 79 LEU H A 78 VAL H 1.0 1.9 3.9 1037 918 A 25 GLU H A 24 GLU H 1.0 1.9 3.7 1038 919 A 54 ASP H A 78 VAL H 1.0 2.0 5.2 1039 920 A 31 ALA H A 33 PHE H 1.0 2.0 4.6 1040 921 A 107 ASP H A 108 TYR H 1.0 1.8 3.6 1041 922 A 88 LEU H A 118 THR H 1.0 2.0 5.6 1042 923 A 99 ALA H A 98 SER H 1.0 1.7 3.3 1043 924 A 92 LYS H A 93 SER H 1.0 1.8 3.8 1044 925 A 33 PHE H A 32 LYS H 1.0 1.8 3.6 1045 926 A 101 MET H A 102 ALA H 1.0 1.9 4.1 1046 927 A 22 ARG H A 23 GLN H 1.0 1.9 4.5 1047 928 A 19 LEU H A 20 ALA H 1.0 1.8 4.0 1048 929 A 72 ILE H A 71 SER H 1.0 1.8 3.8 1049 930 A 39 VAL H A 58 PHE H 1.0 1.9 4.9 1050 931 A 106 ARG H A 105 TYR H 1.0 1.9 4.3 1051 932 A 41 VAL H A 58 PHE HE% 1.0 2.0 5.0 1052 933 A 85 PHE H A 86 TYR H 1.0 2.0 5.6 1053 934 A 60 VAL H A 37 ILE H 1.0 1.9 4.5 1054 935 A 39 VAL H A 60 VAL H 1.0 2.0 5.8 1055 936 A 99 ALA H A 100 THR H 1.0 1.9 4.7 1056 937 A 83 GLU H A 82 THR H 1.0 1.9 3.7 1057 938 A 65 THR H A 68 GLN H 1.0 2.0 4.8 1058 939 A 64 LEU H A 65 THR H 1.0 2.0 5.0 1059 940 A 72 ILE HB A 73 ILE H 1.0 1.9 4.1 1060 941 A 21 ILE HB A 22 ARG H 1.0 2.0 4.4 1061 942 A 65 THR HA A 101 MET H 1.0 2.0 5.4 1062 943 A 105 TYR HA A 106 ARG H 1.0 2.0 4.8 1063 944 A 115 VAL HB A 40 VAL H 1.0 1.9 5.3 1064 945 A 63 GLU HBx A 63 GLU H 1.0 1.6 2.8 1065 946 A 79 LEU H A 77 MET HBx 1.0 2.0 5.0 1066 947 A 67 THR HA A 70 LEU H 1.0 1.8 4.0 1067 948 A 44 TYR H A 119 TYR H 1.0 2.0 6.0 1068 949 A 58 PHE H A 39 VAL HB 1.0 2.0 5.8 1069 950 A 93 SER H A 89 VAL H 1.0 1.9 5.1 1070 951 A 105 TYR H A 104 ILE H 1.0 2.0 4.6 1071 952 A 112 ASP H A 111 GLU HA 1.0 2.0 5.0 1072 953 A 30 ARG H A 31 ALA H 1.0 1.9 4.1 1073 954 A 27 ALA H A 28 GLY H 1.0 1.8 3.6 1074 955 A 109 LYS H A 110 ASP H 1.0 2.0 5.6 1075 956 A 40 VAL H A 115 VAL H 1.0 2.0 6.0 1076 957 A 110 ASP H A 111 GLU H 1.0 2.0 6.0 1077 958 A 118 THR H A 88 LEU HBy 1.0 1.8 8.8 1078 959 A 117 MET H A 116 TYR H 1.0 2.0 5.8 1079 960 A 111 GLU H A 113 GLY H 1.0 2.0 5.8 1080 961 A 86 TYR H A 87 LEU H 1.0 2.0 6.0 1081 962 A 74 ARG H A 71 SER H 1.0 2.0 6.6 1082 963 A 88 LEU H A 89 VAL H 1.0 2.0 5.4 1083 964 A 72 ILE H A 73 ILE H 1.0 2.0 5.8 1084 965 A 103 GLU H A 104 ILE H 1.0 1.9 4.3 1085 966 A 122 GLN HA A 122 GLN H 1.0 1.9 5.5 1086 967 A 99 ALA H A 97 MET H 1.0 2.0 5.4 1087 968 A 57 LYS HGy A 58 PHE H 1.0 1.9 5.1 1088 969 A 81 ALA H A 82 THR H 1.0 1.9 4.7 1089 970 A 103 GLU HGx A 100 THR H 1.0 2.0 5.8 1090 970 A 103 GLU HGy A 100 THR H 1.0 2.0 5.8 1091 971 A 81 ALA H A 80 ARG H 1.0 2.0 5.6 1092 972 A 67 THR H A 65 THR HG1 1.0 1.9 4.5 1093 973 A 97 MET H A 96 SER H 1.0 2.0 6.2 1094 974 A 68 GLN H A 65 THR HG1 1.0 2.0 4.6 1095 975 A 79 LEU H A 77 MET HBy 1.0 1.9 4.1 1096 976 A 47 GLU HGy A 48 THR H 1.0 1.9 4.7 1097 977 A 66 MET HGy A 99 ALA H 1.0 1.9 4.7 1098 978 A 99 ALA H A 66 MET H 1.0 2.0 6.4 1099 979 A 99 ALA H A 98 SER HA 1.0 1.8 3.6 1100 980 A 22 ARG HA A 24 GLU H 1.0 1.9 4.3 1101 981 A 19 LEU HA A 22 ARG H 1.0 1.9 4.5 1102 982 A 21 ILE HA A 25 GLU H 1.0 2.0 5.4 1103 983 A 80 ARG H A 79 LEU HG 1.0 1.9 4.3 1104 983 A 80 ARG H A 79 LEU HBx 1.0 1.9 4.3 1105 984 A 96 SER HBx A 99 ALA H 1.0 1.8 3.6 1106 984 A 96 SER HBy A 99 ALA H 1.0 1.8 3.6 1107 985 A 99 ALA HB% A 66 MET H 1.0 2.0 5.0 1108 986 A 19 LEU HA A 21 ILE H 1.0 2.0 6.4 1109 987 A 24 GLU HA A 28 GLY H 1.0 1.9 3.9 1110 988 A 24 GLU H A 22 ARG H 1.0 1.9 6.0 1111 989 A 99 ALA HB% A 96 SER H 1.0 2.0 4.8 1112 990 A 23 GLN HA A 26 VAL H 1.0 1.9 5.1 1113 991 A 23 GLN HA A 27 ALA H 1.0 2.0 6.2 1114 992 A 19 LEU HA A 19 LEU H 1.0 1.8 3.8 1115 992 A 18 SER HBx A 19 LEU H 1.0 1.8 3.8 1116 993 A 19 LEU H A 18 SER H 1.0 1.9 6.0 1117 994 A 68 GLN H A 70 LEU H 1.0 1.9 6.9 1118 995 A 70 LEU HA A 74 ARG H 1.0 2.0 7.2 1119 996 A 65 THR HB A 68 GLN H 1.0 1.9 4.3 1120 997 A 68 GLN HA A 70 LEU H 1.0 2.0 6.4 1121 998 A 74 ARG H A 76 ARG H 1.0 2.0 5.2 1122 999 A 90 ASN H A 91 ASN H 1.0 2.0 4.6 1123 1000 A 92 LYS H A 91 ASN HBy 1.0 1.9 4.3 1124 1001 A 90 ASN HBy A 93 SER H 1.0 2.0 6.0 1125 1002 A 104 ILE HG1y A 103 GLU H 1.0 2.0 4.8 1126 1002 A 104 ILE HG1x A 103 GLU H 1.0 2.0 4.8 1127 1003 A 118 THR HA A 42 GLU H 1.0 1.9 4.7 1128 1004 A 119 TYR HD% A 42 GLU H 1.0 1.9 5.3 1129 1005 A 57 LYS H A 55 LYS HGy 1.0 2.0 6.8 1130 1006 A 77 MET HA A 54 ASP H 1.0 2.0 4.6 1131 1007 A 80 ARG H A 79 LEU H 1.0 2.0 6.0 1132 1008 A 109 LYS H A 108 TYR H 1.0 1.6 2.8 1133 1008 A 107 ASP H A 108 TYR H 1.0 1.6 2.8 1134 1009 A 49 PHE H A 47 GLU HA 1.0 2.0 6.4 1135 1010 A 86 TYR HD% A 122 GLN H 1.0 2.0 6.6 1136 1011 A 85 PHE HA A 86 TYR H 1.0 1.9 3.9 1137 1012 A 15 GLN H A 14 LYS HA 1.0 2.0 6.4 1138 1013 A 25 GLU H A 23 GLN H 1.0 2.0 5.4 1139 1014 A 22 ARG H A 21 ILE H 1.0 2.0 6.0 1140 1015 A 118 THR H A 119 TYR H 1.0 1.9 7.5 1141 1016 A 42 GLU H A 119 TYR H 1.0 2.0 7.0 1142 1017 A 112 ASP HBx A 23 GLN HE21 1.0 2.0 5.8 1143 1018 A 112 ASP HA A 23 GLN HE21 1.0 1.9 7.7 1144 1019 A 47 GLU H A 44 TYR H 1.0 1.9 8.5 1145 1020 A 52 PRO HBx A 53 LEU H 1.0 1.8 3.6 1146 1021 A 34 PRO HDy A 35 ASN H 1.0 1.9 4.7 1147 1022 A 24 GLU HGx A 25 GLU H 1.0 1.7 3.1 1148 1022 A 24 GLU HBy A 25 GLU H 1.0 1.7 3.1 1149 1023 A 70 LEU H A 70 LEU HDx% 1.0 1.9 4.5 1150 1023 A 70 LEU HDy% A 70 LEU H 1.0 1.9 4.5 1151 1024 A 105 TYR H A 103 GLU HA 1.0 2.0 6.0 1152 1025 A 96 SER HA A 97 MET H 1.0 1.7 2.9 1153 1026 A 25 GLU HBy A 26 VAL H 1.0 1.8 3.4 1154 1027 A 19 LEU HA A 23 GLN H 1.0 1.9 8.3 1155 1028 A 18 SER HA A 21 ILE H 1.0 1.9 5.3 1156 1029 A 19 LEU H A 21 ILE H 1.0 2.0 5.6 1157 1030 A 20 ALA HA A 21 ILE H 1.0 1.9 4.3 1158 1031 A 27 ALA HA A 27 ALA H 1.0 1.6 3.0 1159 1032 A 20 ALA HA A 22 ARG H 1.0 1.9 4.1 1160 1033 A 29 ILE H A 32 LYS H 1.0 2.0 4.6 1161 1033 A 29 ILE H A 31 ALA H 1.0 2.0 4.6 1162 1034 A 53 LEU HDy% A 77 MET H 1.0 2.0 5.8 1163 1034 A 77 MET H A 53 LEU HDx% 1.0 2.0 5.8 1164 1035 A 36 LYS HDx A 37 ILE H 1.0 2.0 5.2 1165 1036 A 106 ARG H A 108 TYR H 1.0 1.8 8.6 1166 1037 A 48 THR HA A 49 PHE H 1.0 1.9 4.5 1167 1038 A 125 PHE HBx A 126 GLY H 1.0 1.7 3.3 1168 1039 A 101 MET HBx A 102 ALA H 1.0 1.7 3.3 1169 1039 A 101 MET HBy A 102 ALA H 1.0 1.7 3.3 1170 1040 A 41 VAL HGy% A 58 PHE H 1.0 1.9 4.3 1171 1040 A 39 VAL HGy% A 58 PHE H 1.0 1.9 4.3 1172 1041 A 53 LEU HDy% A 78 VAL H 1.0 1.7 2.9 1173 1041 A 78 VAL H A 53 LEU HDx% 1.0 1.7 2.9 1174 1042 A 103 GLU H A 105 TYR H 1.0 2.0 5.6 1175 1043 A 69 PHE H A 64 LEU HDx% 1.0 1.7 3.3 1176 1043 A 64 LEU HDy% A 69 PHE H 1.0 1.7 3.3 1177 1044 A 93 SER HBx A 89 VAL H 1.0 2.0 6.0 1178 1045 A 123 GLU H A 123 GLU HBy 1.0 1.6 3.0 1179 1046 A 55 LYS H A 53 LEU HDx% 1.0 1.9 3.9 1180 1046 A 53 LEU HDy% A 55 LYS H 1.0 1.9 3.9 1181 1047 A 60 VAL HGx% A 37 ILE H 1.0 1.8 3.8 1182 1047 A 37 ILE HG2% A 37 ILE H 1.0 1.8 3.8 1183 1048 A 89 VAL HGy% A 93 SER H 1.0 2.0 5.4 1184 1049 A 97 MET H A 97 MET HGx 1.0 1.9 4.1 1185 1050 A 97 MET H A 97 MET HGy 1.0 1.9 4.1 1186 1051 A 97 MET H A 97 MET HBx 1.0 1.8 4.0 1187 1052 A 110 ASP HBx A 114 PHE H 1.0 1.9 6.5 1188 1053 A 114 PHE HD% A 114 PHE H 1.0 1.9 4.9 1189 1054 A 64 LEU HG A 69 PHE H 1.0 2.0 5.8 1190 1055 A 83 GLU HBx A 83 GLU H 1.0 1.7 3.1 1191 1056 A 15 GLN H A 14 LYS HBx 1.0 1.9 4.7 1192 1057 A 41 VAL HGy% A 41 VAL H 1.0 1.8 3.6 1193 1058 A 68 GLN HGx A 68 GLN H 1.0 1.7 3.1 1194 1059 A 66 MET HBy A 66 MET H 1.0 1.9 3.9 1195 1060 A 66 MET HGx A 66 MET H 1.0 1.9 4.5 1196 1061 A 75 SER H A 75 SER HA 1.0 1.7 3.1 1197 1062 A 89 VAL HB A 89 VAL H 1.0 1.9 4.5 1198 1063 A 91 ASN H A 91 ASN HBy 1.0 1.9 3.9 1199 1064 A 92 LYS H A 92 LYS HA 1.0 1.7 3.3 1200 1065 A 102 ALA HA A 102 ALA H 1.0 1.8 3.6 1201 1066 A 105 TYR HBx A 105 TYR H 1.0 1.7 3.1 1202 1067 A 108 TYR H A 108 TYR HA 1.0 1.8 3.6 1203 1068 A 118 THR HG2% A 118 THR H 1.0 1.8 4.2 1204 1069 A 26 VAL HGx% A 26 VAL H 1.0 1.8 3.4 1205 1070 A 67 THR HB A 67 THR H 1.0 1.6 3.0 1206 1071 A 67 THR HA A 67 THR H 1.0 1.7 3.3 1207 1072 A 69 PHE HBy A 69 PHE H 1.0 1.7 3.1 1208 1073 A 79 LEU H A 79 LEU HBx 1.0 1.7 3.1 1209 1073 A 79 LEU HBy A 79 LEU H 1.0 1.7 3.1 1210 1074 A 116 TYR H A 116 TYR HBy 1.0 1.9 4.3 1211 1074 A 116 TYR H A 116 TYR HBx 1.0 1.9 4.3 1212 1075 A 102 ALA HB% A 102 ALA H 1.0 1.6 2.8 1213 1076 A 119 TYR HE% A 53 LEU HG 1.0 2.0 4.6 1214 1077 A 29 ILE HG2% A 33 PHE HD% 1.0 1.6 3.0 1215 1078 A 33 PHE HD% A 29 ILE HA 1.0 1.8 3.6 1216 1079 A 85 PHE HE% A 73 ILE HD1% 1.0 2.0 4.6 1217 1080 A 105 TYR HBx A 37 ILE HD1% 1.0 1.8 3.8 1218 1081 A 105 TYR HBx A 37 ILE HD1% 1.0 1.9 3.9 1219 1082 A 69 PHE HD% A 73 ILE HD1% 1.0 1.9 4.5 1220 1083 A 116 TYR HA A 40 VAL HB 1.0 1.5 2.7 1221 1084 A 29 ILE HG2% A 33 PHE HD% 1.0 1.6 3.0 1222 1085 A 114 PHE HE% A 38 PRO HBy 1.0 1.7 3.3 1223 1086 A 37 ILE HG2% A 105 TYR HD% 1.0 1.8 3.8 1224 1087 A 40 VAL HGx% A 56 THR HG2% 1.0 1.9 4.1 1225 1088 A 37 ILE HA A 37 ILE HG2% 1.0 1.8 3.6 1226 1089 A 40 VAL HGx% A 116 TYR HE% 1.0 1.8 4.2 1227 1090 A 85 PHE HBx A 50 LEU HDx% 1.0 1.6 3.0 1228 1090 A 50 LEU HDy% A 85 PHE HBx 1.0 1.6 3.0 1229 1091 A 73 ILE HG2% A 85 PHE HE% 1.0 1.9 4.5 1230 1092 A 108 TYR HD% A 108 TYR HE% 1.0 1.6 2.8 1231 1093 A 41 VAL HGx% A 119 TYR HD% 1.0 1.6 3.0 1232 1094 A 85 PHE HE% A 77 MET HE% 1.0 1.8 3.6 1233 1095 A 85 PHE HE% A 77 MET HE% 1.0 1.9 3.9 1234 1096 A 41 VAL HGx% A 73 ILE HD1% 1.0 1.6 2.8 1235 1097 A 41 VAL HGx% A 73 ILE HD1% 1.0 1.6 2.8 1236 1098 A 37 ILE HD1% A 102 ALA HB% 1.0 1.7 3.1 1237 1099 A 37 ILE HD1% A 102 ALA HB% 1.0 1.7 3.3 1238 1100 A 101 MET HE% A 66 MET HA 1.0 1.5 2.5 1239 1101 A 73 ILE HD1% A 69 PHE HE% 1.0 1.9 4.1 1240 1102 A 73 ILE HD1% A 69 PHE HE% 1.0 1.8 3.8 1241 1103 A 119 TYR HE% A 77 MET HE% 1.0 1.9 4.3 1242 1104 A 119 TYR HE% A 77 MET HE% 1.0 1.8 3.8 1243 1105 A 85 PHE HD% A 84 ALA HA 1.0 1.9 4.1 1244 1106 A 102 ALA HA A 37 ILE HD1% 1.0 1.8 3.6 1245 1107 A 40 VAL HGx% A 56 THR HG2% 1.0 1.9 4.7 1246 1108 A 40 VAL HGx% A 116 TYR HE% 1.0 1.9 4.7 1247 1109 A 118 THR HG2% A 44 TYR HD% 1.0 1.8 3.4 1248 1110 A 118 THR HG2% A 44 TYR HD% 1.0 1.8 3.8 1249 1111 A 37 ILE HG2% A 105 TYR HD% 1.0 1.7 3.5 1250 1112 A 26 VAL HGy% A 114 PHE HE% 1.0 1.9 4.1 1251 1112 A 26 VAL HGy% A 114 PHE HD% 1.0 1.9 4.1 1252 1113 A 26 VAL HGy% A 114 PHE HE% 1.0 1.8 3.8 1253 1113 A 26 VAL HGy% A 114 PHE HD% 1.0 1.8 3.8 1254 1114 A 73 ILE HG2% A 77 MET HE% 1.0 1.7 3.3 1255 1115 A 73 ILE HG2% A 77 MET HE% 1.0 1.8 3.6 1256 1116 A 108 TYR HD% A 104 ILE HA 1.0 1.8 3.8 1257 1117 A 119 TYR HE% A 43 ARG HBx 1.0 2.0 4.8 1258 1118 A 119 TYR HD% A 77 MET HE% 1.0 1.9 4.1 1259 1119 A 119 TYR HD% A 77 MET HE% 1.0 1.9 4.3 1260 1120 A 73 ILE HG2% A 85 PHE HE% 1.0 1.9 4.1 1261 1121 A 114 PHE HE% A 38 PRO HBy 1.0 1.8 3.6 1262 1122 A 69 PHE HD% A 64 LEU HDx% 1.0 1.8 3.4 1263 1122 A 69 PHE HD% A 72 ILE HD1% 1.0 1.8 3.4 1264 1122 A 64 LEU HDy% A 69 PHE HD% 1.0 1.8 3.4 1265 1123 A 116 TYR HA A 40 VAL HB 1.0 1.9 4.3 1266 1124 A 37 ILE HD1% A 101 MET HBx 1.0 1.8 3.8 1267 1124 A 37 ILE HD1% A 101 MET HBy 1.0 1.8 3.8 1268 1125 A 105 TYR HD% A 109 LYS HBx 1.0 1.8 3.8 1269 1126 A 108 TYR HD% A 108 TYR HE% 1.0 1.7 2.9 1270 1127 A 119 TYR HD% A 85 PHE HE% 1.0 1.6 3.0 1271 1128 A 109 LYS HBx A 105 TYR HE% 1.0 1.8 3.8 1272 1129 A 104 ILE HA A 108 TYR HE% 1.0 1.7 3.3 1273 1130 A 107 ASP HBy A 108 TYR HE% 1.0 1.9 4.1 1274 1131 A 114 PHE HE% A 38 PRO HBx 1.0 1.7 3.3 1275 1132 A 37 ILE HG2% A 105 TYR HD% 1.0 1.8 3.4 1276 1133 A 44 TYR HD% A 46 ARG HBx 1.0 1.9 3.9 1277 1134 A 114 PHE HE% A 38 PRO HBy 1.0 1.8 3.8 1278 1135 A 108 TYR HD% A 104 ILE HG2% 1.0 1.9 4.5 1279 1136 A 115 VAL HGy% A 105 TYR HD% 1.0 1.9 4.5 1280 1137 A 69 PHE HD% A 64 LEU HDx% 1.0 1.8 3.6 1281 1137 A 64 LEU HDy% A 69 PHE HD% 1.0 1.8 3.6 1282 1138 A 108 TYR HD% A 104 ILE HA 1.0 1.8 3.6 1283 1139 A 118 THR HG2% A 44 TYR HD% 1.0 1.7 3.3 1284 1140 A 72 ILE HB A 69 PHE HD% 1.0 1.8 3.6 1285 1141 A 41 VAL HGx% A 119 TYR HD% 1.0 1.6 3.0 1286 1142 A 116 TYR HE% A 40 VAL HB 1.0 1.8 3.4 1287 1143 A 60 VAL HGx% A 69 PHE HE% 1.0 1.9 3.7 1288 1144 A 114 PHE HE% A 25 GLU HBy 1.0 1.9 4.1 1289 1145 A 85 PHE HD% A 119 TYR HD% 1.0 1.8 3.6 1290 1146 A 122 GLN HA A 86 TYR HE% 1.0 1.7 3.3 1291 1147 A 110 ASP HBy A 116 TYR HE% 1.0 1.8 3.8 1292 1148 A 116 TYR HD% A 40 VAL HB 1.0 1.8 3.8 1293 1149 A 119 TYR HE% A 53 LEU HDx% 1.0 1.8 3.6 1294 1149 A 53 LEU HDy% A 119 TYR HE% 1.0 1.8 3.6 1295 1150 A 85 PHE HD% A 77 MET HE% 1.0 1.8 3.8 1296 1151 A 118 THR HG2% A 44 TYR HE% 1.0 1.6 3.0 1297 1152 A 119 TYR HE% A 77 MET HE% 1.0 1.9 4.1 1298 1153 A 120 ALA HB% A 44 TYR HD% 1.0 1.8 4.0 1299 1154 A 53 LEU HDy% A 119 TYR HE% 1.0 1.6 2.8 1300 1154 A 119 TYR HE% A 53 LEU HDx% 1.0 1.6 2.8 1301 1155 A 41 VAL HGy% A 58 PHE HD% 1.0 1.7 2.9 1302 1156 A 60 VAL HGx% A 69 PHE HD% 1.0 1.8 4.0 1303 1157 A 44 TYR HE% A 46 ARG HGx 1.0 1.7 3.1 1304 1157 A 44 TYR HE% A 46 ARG HGy 1.0 1.7 3.1 1305 1158 A 118 THR HG2% A 44 TYR HD% 1.0 1.8 3.8 1306 1159 A 104 ILE HD1% A 108 TYR HE% 1.0 1.5 2.5 1307 1160 A 108 TYR HD% A 104 ILE HD1% 1.0 1.9 4.1 1308 1161 A 37 ILE HG2% A 105 TYR HD% 1.0 1.9 4.1 1309 1162 A 108 TYR HE% A 107 ASP HBx 1.0 1.7 3.1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 ARG H A 18 SER O 1.0 1.5 2.3 2 2 A 24 GLU H A 20 ALA O 1.0 1.5 2.3 3 3 A 25 GLU H A 21 ILE O 1.0 1.5 2.3 4 4 A 26 VAL H A 22 ARG O 1.0 1.5 2.3 5 5 A 27 ALA H A 23 GLN O 1.0 1.5 2.3 6 6 A 28 GLY H A 24 GLU O 1.0 1.5 2.3 7 7 A 29 ILE H A 25 GLU O 1.0 1.5 2.3 8 8 A 31 ALA H A 27 ALA O 1.0 1.5 2.3 9 9 A 32 LYS H A 28 GLY O 1.0 1.5 2.3 10 10 A 33 PHE H A 29 ILE O 1.0 1.5 2.3 11 11 A 37 ILE H A 60 VAL O 1.0 1.5 2.3 12 12 A 39 VAL H A 58 PHE O 1.0 1.5 2.3 13 13 A 40 VAL H A 115 VAL O 1.0 1.5 2.3 14 14 A 41 VAL H A 56 THR O 1.0 1.5 2.3 15 15 A 44 TYR H A 119 TYR O 1.0 1.5 2.3 16 16 A 54 ASP H A 76 ARG O 1.0 1.5 2.3 17 17 A 58 PHE H A 39 VAL O 1.0 1.5 2.3 18 18 A 60 VAL H A 37 ILE O 1.0 1.5 2.3 19 19 A 64 LEU H A 61 PRO O 1.0 1.5 2.3 20 20 A 68 GLN H A 65 THR OG1 1.0 1.5 2.3 21 21 A 66 MET H A 99 ALA O 1.0 1.5 2.3 22 22 A 69 PHE H A 65 THR O 1.0 1.5 2.3 23 23 A 70 LEU H A 66 MET O 1.0 1.5 2.3 24 24 A 71 SER H A 67 THR O 1.0 1.5 2.3 25 25 A 72 ILE H A 68 GLN O 1.0 1.5 2.3 26 26 A 73 ILE H A 69 PHE O 1.0 1.5 2.3 27 27 A 74 ARG H A 70 LEU O 1.0 1.5 2.3 28 28 A 75 SER H A 71 SER O 1.0 1.5 2.3 29 29 A 86 TYR H A 120 ALA O 1.0 1.5 2.3 30 30 A 92 LYS H A 89 VAL O 1.0 1.5 2.3 31 31 A 93 SER H A 89 VAL O 1.0 1.5 2.3 32 32 A 100 THR H A 103 GLU OE1 1.0 1.5 2.3 33 33 A 101 MET H A 64 LEU O 1.0 1.5 2.3 34 34 A 103 GLU H A 100 THR OG1 1.0 1.5 2.3 35 35 A 105 TYR H A 101 MET O 1.0 1.5 2.3 36 36 A 106 ARG H A 102 ALA O 1.0 1.5 2.3 37 37 A 107 ASP H A 103 GLU O 1.0 1.5 2.3 38 38 A 108 TYR H A 104 ILE O 1.0 1.5 2.3 39 39 A 109 LYS H A 105 TYR O 1.0 1.5 2.3 40 40 A 110 ASP H A 114 PHE O 1.0 1.5 2.3 41 41 A 113 GLY H A 110 ASP O 1.0 1.5 2.3 42 42 A 114 PHE H A 112 ASP OD1 1.0 1.5 2.3 43 43 A 115 VAL H A 38 PRO O 1.0 1.5 2.3 44 44 A 117 MET H A 40 VAL O 1.0 1.5 2.3 45 45 A 118 THR H A 88 LEU O 1.0 1.5 2.3 46 46 A 119 TYR H A 42 GLU O 1.0 1.5 2.3 47 47 A 120 ALA H A 86 TYR O 1.0 1.5 2.3 48 48 A 21 ILE H A 18 SER OG 1.0 1.5 2.3 49 49 A 88 LEU H A 118 THR O 1.0 1.5 2.3 50 50 A 104 ILE H A 100 THR O 1.0 1.5 2.3 51 51 A 25 GLU O A 29 ILE N 1.0 2.5 3.5 52 52 A 27 ALA O A 31 ALA N 1.0 2.5 3.5 53 53 A 103 GLU OE1 A 100 THR N 1.0 2.5 3.5 54 54 A 61 PRO O A 64 LEU N 1.0 2.5 3.5 55 55 A 24 GLU O A 28 GLY N 1.0 2.5 3.5 56 56 A 21 ILE O A 25 GLU N 1.0 2.5 3.5 57 57 A 70 LEU O A 74 ARG N 1.0 2.5 3.5 58 58 A 100 THR OG1 A 103 GLU N 1.0 2.5 3.5 59 59 A 110 ASP O A 113 GLY N 1.0 2.5 3.5 60 60 A 23 GLN O A 27 ALA N 1.0 2.5 3.5 61 61 A 100 THR O A 104 ILE N 1.0 2.5 3.5 62 62 A 66 MET O A 70 LEU N 1.0 2.5 3.5 63 63 A 22 ARG O A 26 VAL N 1.0 2.5 3.5 64 64 A 38 PRO O A 115 VAL N 1.0 2.5 3.5 65 65 A 86 TYR O A 120 ALA N 1.0 2.5 3.5 66 66 A 18 SER OG A 21 ILE N 1.0 2.5 3.5 67 67 A 56 THR O A 41 VAL N 1.0 2.5 3.5 68 68 A 65 THR OG1 A 68 GLN N 1.0 2.5 3.5 69 69 A 67 THR O A 71 SER N 1.0 2.5 3.5 70 70 A 104 ILE O A 108 TYR N 1.0 2.5 3.5 71 71 A 39 VAL O A 58 PHE N 1.0 2.5 3.5 72 72 A 101 MET O A 105 TYR N 1.0 2.5 3.5 73 73 A 68 GLN O A 72 ILE N 1.0 2.5 3.5 74 74 A 105 TYR O A 109 LYS N 1.0 2.5 3.5 75 75 A 71 SER O A 75 SER N 1.0 2.5 3.5 76 76 A 76 ARG O A 54 ASP N 1.0 2.5 3.5 77 77 A 89 VAL O A 93 SER N 1.0 2.5 3.5 78 78 A 37 ILE O A 60 VAL N 1.0 2.5 3.5 79 79 A 29 ILE O A 33 PHE N 1.0 2.5 3.5 80 80 A 20 ALA O A 24 GLU N 1.0 2.5 3.5 81 81 A 115 VAL O A 40 VAL N 1.0 2.5 3.5 82 82 A 60 VAL O A 37 ILE N 1.0 2.5 3.5 83 83 A 65 THR O A 69 PHE N 1.0 2.5 3.5 84 84 A 120 ALA O A 86 TYR N 1.0 2.5 3.5 85 85 A 112 ASP OD1 A 114 PHE N 1.0 2.5 3.5 86 86 A 69 PHE O A 73 ILE N 1.0 2.5 3.5 87 87 A 88 LEU O A 118 THR N 1.0 2.5 3.5 88 88 A 64 LEU O A 101 MET N 1.0 2.5 3.5 89 89 A 42 GLU O A 119 TYR N 1.0 2.5 3.5 90 90 A 114 PHE O A 110 ASP N 1.0 2.5 3.5 91 91 A 99 ALA O A 66 MET N 1.0 2.5 3.5 92 92 A 119 TYR O A 44 TYR N 1.0 2.5 3.5 93 93 A 28 GLY O A 32 LYS N 1.0 2.5 3.5 94 94 A 58 PHE O A 39 VAL N 1.0 2.5 3.5 95 95 A 103 GLU O A 107 ASP N 1.0 2.5 3.5 96 96 A 89 VAL O A 92 LYS N 1.0 2.5 3.5 97 97 A 18 SER O A 22 ARG N 1.0 2.5 3.5 98 98 A 102 ALA O A 106 ARG N 1.0 2.5 3.5 99 99 A 40 VAL O A 117 MET N 1.0 2.5 3.5 100 100 A 118 THR O A 88 LEU N 1.0 2.5 3.5 101 101 A 89 VAL H A 93 SER O 1.0 1.5 2.3 102 102 A 93 SER O A 89 VAL N 1.0 2.5 3.5 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 18 SER C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -92.39 -32.39 PHI 2 2 A 18 SER C A 19 LEU N A 19 LEU CA A 19 LEU C 1.0 -70.90 -43.94 PHI 3 3 A 20 ALA C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -92.42 -32.42 PHI 4 4 A 20 ALA C A 21 ILE N A 21 ILE CA A 21 ILE C 1.0 -77.57 -59.23 PHI 5 5 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -90.33 -30.33 PHI 6 6 A 24 GLU C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -76.27 -58.27 PHI 7 7 A 25 GLU C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -89.93 -29.93 PHI 8 8 A 25 GLU C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -72.56 -57.04 PHI 9 9 A 28 GLY C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -97.43 -37.43 PHI 10 10 A 28 GLY C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -77.72 -54.92 PHI 11 11 A 29 ILE C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -88.30 -28.30 PHI 12 12 A 29 ILE C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -70.47 -58.91 PHI 13 13 A 31 ALA C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -123.70 -63.70 PHI 14 14 A 31 ALA C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -93.51 -68.77 PHI 15 15 A 46 ARG C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -103.88 -43.88 PHI 16 16 A 46 ARG C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -87.85 -49.11 PHI 17 17 A 54 ASP C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -177.51 -117.51 PHI 18 18 A 54 ASP C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -182.03 -96.59 PHI 19 19 A 55 LYS C A 56 THR N A 56 THR CA A 56 THR C 1.0 -148.19 -88.19 PHI 20 20 A 66 MET C A 67 THR N A 67 THR CA A 67 THR C 1.0 -80.11 -20.11 PHI 21 21 A 66 MET C A 67 THR N A 67 THR CA A 67 THR C 1.0 -74.79 -54.41 PHI 22 22 A 68 GLN C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -89.64 -29.64 PHI 23 23 A 68 GLN C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -68.59 -59.13 PHI 24 24 A 69 PHE C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -84.80 -24.80 PHI 25 25 A 69 PHE C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -68.02 -53.32 PHI 26 26 A 70 LEU C A 71 SER N A 71 SER CA A 71 SER C 1.0 -86.65 -26.65 PHI 27 27 A 70 LEU C A 71 SER N A 71 SER CA A 71 SER C 1.0 -70.93 -55.87 PHI 28 28 A 71 SER C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -94.95 -34.95 PHI 29 29 A 71 SER C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -71.74 -56.74 PHI 30 30 A 72 ILE C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -90.34 -30.34 PHI 31 31 A 72 ILE C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -71.79 -55.57 PHI 32 32 A 85 PHE C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -135.69 -75.69 PHI 33 33 A 85 PHE C A 86 TYR N A 86 TYR CA A 86 TYR C 1.0 -139.98 -96.24 PHI 34 34 A 86 TYR C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -131.98 -71.98 PHI 35 35 A 86 TYR C A 87 LEU N A 87 LEU CA A 87 LEU C 1.0 -131.41 -97.29 PHI 36 36 A 97 MET C A 98 SER N A 98 SER CA A 98 SER C 1.0 -120.42 -60.42 PHI 37 37 A 97 MET C A 98 SER N A 98 SER CA A 98 SER C 1.0 -112.93 -76.45 PHI 38 38 A 100 THR C A 101 MET N A 101 MET CA A 101 MET C 1.0 -87.94 -27.94 PHI 39 39 A 100 THR C A 101 MET N A 101 MET CA A 101 MET C 1.0 -72.80 -54.00 PHI 40 40 A 101 MET C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -73.31 -13.31 PHI 41 41 A 101 MET C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -74.26 -52.90 PHI 42 42 A 102 ALA C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -102.77 -42.77 PHI 43 43 A 102 ALA C A 103 GLU N A 103 GLU CA A 103 GLU C 1.0 -72.59 -60.07 PHI 44 44 A 104 ILE C A 105 TYR N A 105 TYR CA A 105 TYR C 1.0 -84.95 -24.95 PHI 45 45 A 104 ILE C A 105 TYR N A 105 TYR CA A 105 TYR C 1.0 -69.17 -54.23 PHI 46 46 A 105 TYR C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -86.51 -26.51 PHI 47 47 A 105 TYR C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -72.60 -57.02 PHI 48 48 A 107 ASP C A 108 TYR N A 108 TYR CA A 108 TYR C 1.0 -129.95 -69.95 PHI 49 49 A 107 ASP C A 108 TYR N A 108 TYR CA A 108 TYR C 1.0 -133.68 -90.38 PHI 50 50 A 110 ASP C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -79.78 -19.78 PHI 51 51 A 110 ASP C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -71.75 -50.55 PHI 52 52 A 114 PHE C A 115 VAL N A 115 VAL CA A 115 VAL C 1.0 -130.28 -70.28 PHI 53 53 A 114 PHE C A 115 VAL N A 115 VAL CA A 115 VAL C 1.0 -141.71 -95.11 PHI 54 54 A 116 TYR C A 117 MET N A 117 MET CA A 117 MET C 1.0 -179.22 -119.22 PHI 55 55 A 116 TYR C A 117 MET N A 117 MET CA A 117 MET C 1.0 -151.73 -109.87 PHI 56 56 A 119 TYR C A 120 ALA N A 120 ALA CA A 120 ALA C 1.0 -178.72 -118.72 PHI 57 57 A 119 TYR C A 120 ALA N A 120 ALA CA A 120 ALA C 1.0 -170.60 -128.56 PHI 58 58 A 103 GLU C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -91.43 -31.43 PHI 59 59 A 103 GLU C A 104 ILE N A 104 ILE CA A 104 ILE C 1.0 -76.89 -57.61 PHI 60 60 A 98 SER C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -90.66 -30.66 PHI 61 61 A 98 SER C A 99 ALA N A 99 ALA CA A 99 ALA C 1.0 -84.98 -51.40 PHI 62 62 A 96 SER C A 97 MET N A 97 MET CA A 97 MET C 1.0 -92.49 -32.49 PHI 63 63 A 96 SER C A 97 MET N A 97 MET CA A 97 MET C 1.0 -90.61 -51.89 PHI 64 64 A 1 MET N A 1 MET CA A 1 MET C A 2 PRO N 1.0 104.69 167.73 PSI 65 65 A 0 SER C A 1 MET N A 1 MET CA A 1 MET C 1.0 -96.17 -49.59 PHI 66 66 A 2 PRO N A 2 PRO CA A 2 PRO C A 3 PRO N 1.0 130.11 169.21 PSI 67 67 A 1 MET C A 2 PRO N A 2 PRO CA A 2 PRO C 1.0 -76.58 -54.42 PHI 68 68 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 PRO N 1.0 121.12 173.10 PSI 69 69 A 2 PRO C A 3 PRO N A 3 PRO CA A 3 PRO C 1.0 -79.50 -45.74 PHI 70 70 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 SER N 1.0 124.78 174.36 PSI 71 71 A 16 ARG C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -157.20 -99.46 PHI 72 72 A 18 SER N A 18 SER CA A 18 SER C A 19 LEU N 1.0 104.48 184.98 PSI 73 73 A 17 LYS C A 18 SER N A 18 SER CA A 18 SER C 1.0 -91.72 -47.72 PHI 74 74 A 19 LEU N A 19 LEU CA A 19 LEU C A 20 ALA N 1.0 -52.02 -27.88 PSI 75 75 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 ILE N 1.0 -52.96 -25.94 PSI 76 76 A 19 LEU C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -72.31 -54.01 PHI 77 77 A 21 ILE N A 21 ILE CA A 21 ILE C A 22 ARG N 1.0 -49.96 -30.12 PSI 78 78 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 GLN N 1.0 -53.78 -30.00 PSI 79 79 A 21 ILE C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -73.86 -54.04 PHI 80 80 A 23 GLN N A 23 GLN CA A 23 GLN C A 24 GLU N 1.0 -47.10 -32.00 PSI 81 81 A 22 ARG C A 23 GLN N A 23 GLN CA A 23 GLN C 1.0 -68.36 -60.84 PHI 82 82 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 GLU N 1.0 -51.62 -29.44 PSI 83 83 A 23 GLN C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -73.48 -59.68 PHI 84 84 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 VAL N 1.0 -46.14 -37.14 PSI 85 85 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 ALA N 1.0 -49.73 -33.59 PSI 86 86 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLY N 1.0 -46.23 -30.77 PSI 87 87 A 26 VAL C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -70.95 -56.15 PHI 88 88 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 ILE N 1.0 -52.58 -31.68 PSI 89 89 A 27 ALA C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 -73.41 -57.67 PHI 90 90 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 ARG N 1.0 -53.73 -33.33 PSI 91 91 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 ALA N 1.0 -40.10 -24.92 PSI 92 92 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 LYS N 1.0 -43.80 -23.70 PSI 93 93 A 30 ARG C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -80.27 -60.15 PHI 94 94 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 PHE N 1.0 -41.39 -21.79 PSI 95 95 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 PRO N 1.0 56.72 86.16 PSI 96 96 A 32 LYS C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -142.69 -118.55 PHI 97 97 A 34 PRO N A 34 PRO CA A 34 PRO C A 35 ASN N 1.0 -34.20 -10.26 PSI 98 98 A 33 PHE C A 34 PRO N A 34 PRO CA A 34 PRO C 1.0 -75.76 -51.50 PHI 99 99 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 LYS N 1.0 -14.07 22.05 PSI 100 100 A 34 PRO C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -109.96 -74.64 PHI 101 101 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 ILE N 1.0 114.66 173.86 PSI 102 102 A 35 ASN C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -143.92 -85.82 PHI 103 103 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 PRO N 1.0 94.73 154.45 PSI 104 104 A 36 LYS C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -145.73 -88.51 PHI 105 105 A 38 PRO N A 38 PRO CA A 38 PRO C A 39 VAL N 1.0 103.58 181.58 PSI 106 106 A 37 ILE C A 38 PRO N A 38 PRO CA A 38 PRO C 1.0 -87.49 -61.29 PHI 107 107 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 VAL N 1.0 115.30 149.90 PSI 108 108 A 38 PRO C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -137.22 -107.76 PHI 109 109 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 VAL N 1.0 108.48 140.54 PSI 110 110 A 39 VAL C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -126.07 -89.25 PHI 111 111 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLU N 1.0 111.28 144.52 PSI 112 112 A 40 VAL C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -128.08 -97.98 PHI 113 113 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 ARG N 1.0 132.28 168.78 PSI 114 114 A 41 VAL C A 42 GLU N A 42 GLU CA A 42 GLU C 1.0 -162.35 -112.21 PHI 115 115 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 TYR N 1.0 117.17 151.13 PSI 116 116 A 42 GLU C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -96.26 -54.72 PHI 117 117 A 44 TYR N A 44 TYR CA A 44 TYR C A 45 PRO N 1.0 107.30 173.10 PSI 118 118 A 43 ARG C A 44 TYR N A 44 TYR CA A 44 TYR C 1.0 -146.08 -17.62 PHI 119 119 A 45 PRO N A 45 PRO CA A 45 PRO C A 46 ARG N 1.0 -34.67 -8.51 PSI 120 120 A 44 TYR C A 45 PRO N A 45 PRO CA A 45 PRO C 1.0 -81.80 -52.32 PHI 121 121 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 THR N 1.0 122.80 152.44 PSI 122 122 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 PRO N 1.0 112.75 164.39 PSI 123 123 A 49 PHE C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -104.71 -42.75 PHI 124 124 A 51 PRO N A 51 PRO CA A 51 PRO C A 52 PRO N 1.0 122.30 162.60 PSI 125 125 A 50 LEU C A 51 PRO N A 51 PRO CA A 51 PRO C 1.0 -76.23 -45.37 PHI 126 126 A 52 PRO N A 52 PRO CA A 52 PRO C A 53 LEU N 1.0 122.36 168.86 PSI 127 127 A 51 PRO C A 52 PRO N A 52 PRO CA A 52 PRO C 1.0 -83.44 -49.62 PHI 128 128 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 THR N 1.0 124.92 171.40 PSI 129 129 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 PHE N 1.0 112.20 145.38 PSI 130 130 A 56 THR C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -122.55 -81.53 PHI 131 131 A 58 PHE N A 58 PHE CA A 58 PHE C A 59 LEU N 1.0 117.96 144.64 PSI 132 132 A 57 LYS C A 58 PHE N A 58 PHE CA A 58 PHE C 1.0 -138.57 -100.21 PHI 133 133 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 VAL N 1.0 105.07 137.39 PSI 134 134 A 58 PHE C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -118.70 -81.62 PHI 135 135 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 PRO N 1.0 109.59 161.17 PSI 136 136 A 59 LEU C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -135.39 -88.69 PHI 137 137 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 GLU N 1.0 -37.90 -12.20 PSI 138 138 A 61 PRO C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -75.25 -49.35 PHI 139 139 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 LEU N 1.0 -33.21 11.41 PSI 140 140 A 62 GLN C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -100.33 -63.21 PHI 141 141 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 THR N 1.0 113.24 155.74 PSI 142 142 A 63 GLU C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -84.47 -54.83 PHI 143 143 A 65 THR N A 65 THR CA A 65 THR C A 66 MET N 1.0 155.79 177.77 PSI 144 144 A 64 LEU C A 65 THR N A 65 THR CA A 65 THR C 1.0 -138.20 -79.02 PHI 145 145 A 66 MET N A 66 MET CA A 66 MET C A 67 THR N 1.0 -43.80 -25.86 PSI 146 146 A 65 THR C A 66 MET N A 66 MET CA A 66 MET C 1.0 -71.37 -55.07 PHI 147 147 A 67 THR N A 67 THR CA A 67 THR C A 68 GLN N 1.0 -49.80 -33.08 PSI 148 148 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 PHE N 1.0 -48.99 -28.33 PSI 149 149 A 67 THR C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -74.36 -58.90 PHI 150 150 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 LEU N 1.0 -51.36 -33.52 PSI 151 151 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 SER N 1.0 -48.44 -36.64 PSI 152 152 A 71 SER N A 71 SER CA A 71 SER C A 72 ILE N 1.0 -48.03 -33.45 PSI 153 153 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 ILE N 1.0 -51.58 -35.84 PSI 154 154 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 ARG N 1.0 -49.38 -36.02 PSI 155 155 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 SER N 1.0 -51.29 -31.15 PSI 156 156 A 73 ILE C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -68.68 -54.66 PHI 157 157 A 75 SER N A 75 SER CA A 75 SER C A 76 ARG N 1.0 -40.65 -14.89 PSI 158 158 A 74 ARG C A 75 SER N A 75 SER CA A 75 SER C 1.0 -77.85 -58.25 PHI 159 159 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 MET N 1.0 -43.09 2.95 PSI 160 160 A 75 SER C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -104.90 -65.16 PHI 161 161 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 ARG N 1.0 120.02 163.06 PSI 162 162 A 78 VAL C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -127.10 -71.40 PHI 163 163 A 80 ARG N A 80 ARG CA A 80 ARG C A 81 ALA N 1.0 121.26 168.82 PSI 164 164 A 79 LEU C A 80 ARG N A 80 ARG CA A 80 ARG C 1.0 -90.02 -46.10 PHI 165 165 A 85 PHE N A 85 PHE CA A 85 PHE C A 86 TYR N 1.0 119.87 150.87 PSI 166 166 A 84 ALA C A 85 PHE N A 85 PHE CA A 85 PHE C 1.0 -174.22 -113.32 PHI 167 167 A 86 TYR N A 86 TYR CA A 86 TYR C A 87 LEU N 1.0 110.69 161.27 PSI 168 168 A 87 LEU N A 87 LEU CA A 87 LEU C A 88 LEU N 1.0 112.18 145.50 PSI 169 169 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 VAL N 1.0 103.83 148.93 PSI 170 170 A 87 LEU C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -127.45 -86.55 PHI 171 171 A 89 VAL N A 89 VAL CA A 89 VAL C A 90 ASN N 1.0 112.76 131.48 PSI 172 172 A 88 LEU C A 89 VAL N A 89 VAL CA A 89 VAL C 1.0 -138.66 -104.34 PHI 173 173 A 90 ASN N A 90 ASN CA A 90 ASN C A 91 ASN N 1.0 30.68 52.18 PSI 174 174 A 89 VAL C A 90 ASN N A 90 ASN CA A 90 ASN C 1.0 48.90 62.14 PHI 175 175 A 91 ASN N A 91 ASN CA A 91 ASN C A 92 LYS N 1.0 -2.72 36.16 PSI 176 176 A 90 ASN C A 91 ASN N A 91 ASN CA A 91 ASN C 1.0 51.65 89.61 PHI 177 177 A 96 SER N A 96 SER CA A 96 SER C A 97 MET N 1.0 90.13 165.27 PSI 178 178 A 95 VAL C A 96 SER N A 96 SER CA A 96 SER C 1.0 -121.76 -40.10 PHI 179 179 A 97 MET N A 97 MET CA A 97 MET C A 98 SER N 1.0 -32.25 4.61 PSI 180 180 A 98 SER N A 98 SER CA A 98 SER C A 99 ALA N 1.0 -18.77 16.39 PSI 181 181 A 99 ALA N A 99 ALA CA A 99 ALA C A 100 THR N 1.0 124.91 161.53 PSI 182 182 A 100 THR N A 100 THR CA A 100 THR C A 101 MET N 1.0 151.65 179.51 PSI 183 183 A 99 ALA C A 100 THR N A 100 THR CA A 100 THR C 1.0 -135.03 -70.71 PHI 184 184 A 101 MET N A 101 MET CA A 101 MET C A 102 ALA N 1.0 -41.65 -25.21 PSI 185 185 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 GLU N 1.0 -51.63 -29.63 PSI 186 186 A 103 GLU N A 103 GLU CA A 103 GLU C A 104 ILE N 1.0 -51.12 -28.96 PSI 187 187 A 104 ILE N A 104 ILE CA A 104 ILE C A 105 TYR N 1.0 -47.60 -29.36 PSI 188 188 A 105 TYR N A 105 TYR CA A 105 TYR C A 106 ARG N 1.0 -54.93 -37.05 PSI 189 189 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 ASP N 1.0 -48.94 -25.82 PSI 190 190 A 107 ASP N A 107 ASP CA A 107 ASP C A 108 TYR N 1.0 -50.40 -11.24 PSI 191 191 A 106 ARG C A 107 ASP N A 107 ASP CA A 107 ASP C 1.0 -102.26 -58.44 PHI 192 192 A 108 TYR N A 108 TYR CA A 108 TYR C A 109 LYS N 1.0 -26.50 27.06 PSI 193 193 A 109 LYS N A 109 LYS CA A 109 LYS C A 110 ASP N 1.0 117.86 156.84 PSI 194 194 A 108 TYR C A 109 LYS N A 109 LYS CA A 109 LYS C 1.0 -80.65 -51.51 PHI 195 195 A 110 ASP N A 110 ASP CA A 110 ASP C A 111 GLU N 1.0 134.31 193.59 PSI 196 196 A 109 LYS C A 110 ASP N A 110 ASP CA A 110 ASP C 1.0 -119.76 -57.52 PHI 197 197 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 ASP N 1.0 -42.47 -11.07 PSI 198 198 A 112 ASP N A 112 ASP CA A 112 ASP C A 113 GLY N 1.0 -11.15 10.69 PSI 199 199 A 111 GLU C A 112 ASP N A 112 ASP CA A 112 ASP C 1.0 -98.26 -68.36 PHI 200 200 A 113 GLY N A 113 GLY CA A 113 GLY C A 114 PHE N 1.0 -22.01 15.11 PSI 201 201 A 112 ASP C A 113 GLY N A 113 GLY CA A 113 GLY C 1.0 75.94 108.64 PHI 202 202 A 114 PHE N A 114 PHE CA A 114 PHE C A 115 VAL N 1.0 125.30 163.98 PSI 203 203 A 113 GLY C A 114 PHE N A 114 PHE CA A 114 PHE C 1.0 -96.79 -57.97 PHI 204 204 A 115 VAL N A 115 VAL CA A 115 VAL C A 116 TYR N 1.0 110.02 147.38 PSI 205 205 A 116 TYR N A 116 TYR CA A 116 TYR C A 117 MET N 1.0 113.76 154.46 PSI 206 206 A 115 VAL C A 116 TYR N A 116 TYR CA A 116 TYR C 1.0 -133.08 -71.78 PHI 207 207 A 117 MET N A 117 MET CA A 117 MET C A 118 THR N 1.0 116.59 164.89 PSI 208 208 A 118 THR N A 118 THR CA A 118 THR C A 119 TYR N 1.0 134.81 171.03 PSI 209 209 A 117 MET C A 118 THR N A 118 THR CA A 118 THR C 1.0 -147.71 -102.55 PHI 210 210 A 119 TYR N A 119 TYR CA A 119 TYR C A 120 ALA N 1.0 142.41 164.69 PSI 211 211 A 118 THR C A 119 TYR N A 119 TYR CA A 119 TYR C 1.0 -154.30 -118.78 PHI 212 212 A 120 ALA N A 120 ALA CA A 120 ALA C A 121 SER N 1.0 137.29 180.57 PSI 213 213 A 122 GLN N A 122 GLN CA A 122 GLN C A 123 GLU N 1.0 132.50 184.72 PSI 214 214 A 121 SER C A 122 GLN N A 122 GLN CA A 122 GLN C 1.0 -173.68 -92.14 PHI stop_ save_