data_nef_c34497_6y95 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6Y95 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 ALA start . . 2 A 2 ASP middle . . 3 A 3 GLN middle . . 4 A 4 LEU middle . . 5 A 5 THR middle . . 6 A 6 GLU middle . . 7 A 7 GLU middle . . 8 A 8 GLN middle . . 9 A 9 ILE middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 PHE middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 ALA middle . . 16 A 16 PHE middle . . 17 A 17 SER middle . . 18 A 18 LEU middle . . 19 A 19 PHE middle . . 20 A 20 ASP middle . . 21 A 21 LYS middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 GLY middle . false 26 A 26 THR middle . . 27 A 27 ILE middle . . 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 LEU middle . . 33 A 33 GLY middle . false 34 A 34 THR middle . . 35 A 35 VAL middle . . 36 A 36 MET middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 LEU middle . . 40 A 40 GLY middle . false 41 A 41 GLN middle . . 42 A 42 ASN middle . . 43 A 43 PRO middle . false 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 ALA middle . . 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 GLN middle . . 50 A 50 ASP middle . . 51 A 51 MET middle . . 52 A 52 ILE middle . . 53 A 53 ILE middle . . 54 A 54 GLU middle . . 55 A 55 VAL middle . . 56 A 56 ASP middle . . 57 A 57 ALA middle . . 58 A 58 ASP middle . . 59 A 59 GLY middle . false 60 A 60 ASN middle . . 61 A 61 GLY middle . false 62 A 62 THR middle . . 63 A 63 ILE middle . . 64 A 64 ASP middle . . 65 A 65 PHE middle . . 66 A 66 PRO middle . false 67 A 67 GLU middle . . 68 A 68 PHE middle . . 69 A 69 LEU middle . . 70 A 70 THR middle . . 71 A 71 MET middle . . 72 A 72 MET middle . . 73 A 73 ALA middle . . 74 A 74 ARG middle . . 75 A 75 LYS middle . . 76 A 76 MET middle . . 77 A 77 LYS middle . . 78 A 78 ASP middle . . 79 A 79 THR middle . . 80 A 80 ASP middle . . 81 A 81 SER middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 GLU middle . . 85 A 85 ILE middle . . 86 A 86 ARG middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PHE middle . . 90 A 90 ARG middle . . 91 A 91 VAL middle . . 92 A 92 PHE middle . . 93 A 93 ASP middle . . 94 A 94 LYS middle . . 95 A 95 ASP middle . . 96 A 96 GLY middle . false 97 A 97 ASN middle . . 98 A 98 GLY middle . false 99 A 99 TYR middle . . 100 A 100 ILE middle . . 101 A 101 SER middle . . 102 A 102 ALA middle . . 103 A 103 ALA middle . . 104 A 104 GLU middle . . 105 A 105 LEU middle . . 106 A 106 ARG middle . . 107 A 107 HIS middle . . 108 A 108 VAL middle . . 109 A 109 MET middle . . 110 A 110 THR middle . . 111 A 111 ASN middle . . 112 A 112 LEU middle . . 113 A 113 GLY middle . false 114 A 114 GLU middle . . 115 A 115 LYS middle . . 116 A 116 LEU middle . . 117 A 117 THR middle . . 118 A 118 ASP middle . . 119 A 119 GLU middle . . 120 A 120 GLU middle . . 121 A 121 VAL middle . . 122 A 122 ASP middle . . 123 A 123 GLU middle . . 124 A 124 MET middle . . 125 A 125 ILE middle . . 126 A 126 ARG middle . . 127 A 127 GLU middle . . 128 A 128 ALA middle . . 129 A 129 ASP middle . . 130 A 130 ILE middle . . 131 A 131 ASP middle . . 132 A 132 GLY middle . false 133 A 133 ASP middle . . 134 A 134 GLY middle . false 135 A 135 GLN middle . . 136 A 136 VAL middle . . 137 A 137 ASN middle . . 138 A 138 TYR middle . . 139 A 139 GLU middle . . 140 A 140 GLU middle . . 141 A 141 PHE middle . . 142 A 142 VAL middle . . 143 A 143 GLN middle . . 144 A 144 MET middle . . 145 A 145 MET middle . . 146 A 146 THR middle . . 147 A 147 ALA middle . . 148 A 148 LYS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA H1 H 1 8.463 0.020 A 1 ALA HA H 1 4.276 0.020 A 1 ALA HB% H 1 1.525 0.020 A 1 ALA CA C 13 51.785 0.3 A 1 ALA CB C 13 19.363 0.3 A 1 ALA N N 15 123.092 0.3 A 2 ASP H H 1 8.710 0.020 A 2 ASP HA H 1 4.609 0.020 A 2 ASP HBy H 1 2.693 0.020 A 2 ASP HBx H 1 2.590 0.020 A 2 ASP C C 13 177.836 0.3 A 2 ASP CA C 13 54.595 0.3 A 2 ASP CB C 13 41.242 0.3 A 2 ASP N N 15 120.064 0.3 A 3 GLN H H 1 8.212 0.020 A 3 GLN HA H 1 4.395 0.020 A 3 GLN HBx H 1 1.902 0.020 A 3 GLN HBy H 1 2.092 0.020 A 3 GLN HG2 H 1 2.329 0.020 A 3 GLN HG3 H 1 2.329 0.020 A 3 GLN C C 13 175.766 0.3 A 3 GLN CA C 13 55.357 0.3 A 3 GLN CB C 13 30.618 0.3 A 3 GLN CG C 13 33.575 0.3 A 3 GLN N N 15 118.431 0.3 A 4 LEU H H 1 8.302 0.020 A 4 LEU HA H 1 4.612 0.020 A 4 LEU HBy H 1 1.715 0.020 A 4 LEU HBx H 1 1.376 0.020 A 4 LEU HD1% H 1 0.877 0.020 A 4 LEU HD2% H 1 0.877 0.020 A 4 LEU HG H 1 0.902 0.020 A 4 LEU C C 13 177.710 0.3 A 4 LEU CA C 13 54.123 0.3 A 4 LEU CB C 13 43.147 0.3 A 4 LEU CG C 13 26.874 0.3 A 4 LEU N N 15 121.828 0.3 A 5 THR H H 1 8.772 0.020 A 5 THR HA H 1 4.408 0.020 A 5 THR HB H 1 4.750 0.020 A 5 THR HG2% H 1 1.322 0.020 A 5 THR C C 13 175.421 0.3 A 5 THR CA C 13 60.443 0.3 A 5 THR CB C 13 71.013 0.3 A 5 THR CG2 C 13 21.677 0.3 A 5 THR N N 15 112.942 0.3 A 6 GLU H H 1 9.024 0.020 A 6 GLU HA H 1 3.924 0.020 A 6 GLU HB2 H 1 2.029 0.020 A 6 GLU HB3 H 1 2.029 0.020 A 6 GLU HG2 H 1 2.350 0.020 A 6 GLU HG3 H 1 2.350 0.020 A 6 GLU C C 13 179.473 0.3 A 6 GLU CA C 13 60.013 0.3 A 6 GLU CB C 13 29.145 0.3 A 6 GLU CG C 13 36.448 0.3 A 6 GLU N N 15 120.103 0.3 A 7 GLU H H 1 8.724 0.020 A 7 GLU HA H 1 3.997 0.020 A 7 GLU HB2 H 1 1.904 0.020 A 7 GLU HB3 H 1 1.904 0.020 A 7 GLU HG2 H 1 2.172 0.020 A 7 GLU HG3 H 1 2.172 0.020 A 7 GLU C C 13 179.217 0.3 A 7 GLU CA C 13 60.055 0.3 A 7 GLU CB C 13 29.030 0.3 A 7 GLU CG C 13 36.539 0.3 A 7 GLU N N 15 119.260 0.3 A 8 GLN H H 1 7.744 0.020 A 8 GLN HA H 1 3.722 0.020 A 8 GLN HB2 H 1 2.179 0.020 A 8 GLN HB3 H 1 2.179 0.020 A 8 GLN HG2 H 1 2.179 0.020 A 8 GLN HG3 H 1 2.179 0.020 A 8 GLN C C 13 177.577 0.3 A 8 GLN CA C 13 58.924 0.3 A 8 GLN CB C 13 29.473 0.3 A 8 GLN CG C 13 34.820 0.3 A 8 GLN N N 15 120.462 0.3 A 9 ILE H H 1 8.235 0.020 A 9 ILE HA H 1 3.394 0.020 A 9 ILE HB H 1 1.829 0.020 A 9 ILE HD1% H 1 0.754 0.020 A 9 ILE HG12 H 1 0.912 0.020 A 9 ILE HG13 H 1 0.912 0.020 A 9 ILE HG2% H 1 1.106 0.020 A 9 ILE C C 13 177.662 0.3 A 9 ILE CA C 13 66.576 0.3 A 9 ILE CB C 13 38.051 0.3 A 9 ILE CD1 C 13 13.256 0.3 A 9 ILE CG1 C 13 30.443 0.3 A 9 ILE CG2 C 13 17.137 0.3 A 9 ILE N N 15 118.346 0.3 A 10 ALA H H 1 7.921 0.020 A 10 ALA HA H 1 4.135 0.020 A 10 ALA HB% H 1 1.493 0.020 A 10 ALA C C 13 180.769 0.3 A 10 ALA CA C 13 55.221 0.3 A 10 ALA CB C 13 17.940 0.3 A 10 ALA N N 15 120.345 0.3 A 11 GLU H H 1 7.801 0.020 A 11 GLU HA H 1 4.112 0.020 A 11 GLU HB2 H 1 2.090 0.020 A 11 GLU HB3 H 1 2.090 0.020 A 11 GLU C C 13 180.248 0.3 A 11 GLU CA C 13 59.480 0.3 A 11 GLU CB C 13 29.536 0.3 A 11 GLU CG C 13 35.562 0.3 A 11 GLU N N 15 120.105 0.3 A 12 PHE H H 1 8.838 0.020 A 12 PHE HA H 1 4.908 0.020 A 12 PHE HBy H 1 3.728 0.020 A 12 PHE HBx H 1 3.490 0.020 A 12 PHE HD1 H 1 7.138 0.020 A 12 PHE HD2 H 1 7.138 0.020 A 12 PHE HE1 H 1 7.258 0.020 A 12 PHE HE2 H 1 7.258 0.020 A 12 PHE C C 13 178.011 0.3 A 12 PHE CA C 13 58.138 0.3 A 12 PHE CB C 13 36.671 0.3 A 12 PHE CD1 C 13 130.648 0.3 A 12 PHE CE1 C 13 131.868 0.3 A 12 PHE N N 15 120.347 0.3 A 13 LYS H H 1 9.230 0.020 A 13 LYS HA H 1 3.725 0.020 A 13 LYS HBy H 1 1.895 0.020 A 13 LYS HBx H 1 1.792 0.020 A 13 LYS HDy H 1 1.265 0.020 A 13 LYS HDx H 1 1.148 0.020 A 13 LYS HE2 H 1 2.623 0.020 A 13 LYS HE3 H 1 2.623 0.020 A 13 LYS HGy H 1 1.104 0.020 A 13 LYS HGx H 1 0.741 0.020 A 13 LYS C C 13 179.303 0.3 A 13 LYS CA C 13 59.692 0.3 A 13 LYS CB C 13 32.025 0.3 A 13 LYS CD C 13 28.353 0.3 A 13 LYS CE C 13 41.551 0.3 A 13 LYS CG C 13 24.737 0.3 A 13 LYS N N 15 121.292 0.3 A 14 GLU H H 1 8.056 0.020 A 14 GLU HA H 1 4.018 0.020 A 14 GLU HB2 H 1 2.146 0.020 A 14 GLU HB3 H 1 2.146 0.020 A 14 GLU HG2 H 1 2.374 0.020 A 14 GLU HG3 H 1 2.374 0.020 A 14 GLU C C 13 178.811 0.3 A 14 GLU CA C 13 59.469 0.3 A 14 GLU CB C 13 29.540 0.3 A 14 GLU CG C 13 35.872 0.3 A 14 GLU N N 15 120.356 0.3 A 15 ALA H H 1 7.645 0.020 A 15 ALA HA H 1 4.306 0.020 A 15 ALA HB% H 1 1.702 0.020 A 15 ALA C C 13 179.170 0.3 A 15 ALA CA C 13 54.975 0.3 A 15 ALA CB C 13 19.195 0.3 A 15 ALA N N 15 120.885 0.3 A 16 PHE H H 1 8.534 0.020 A 16 PHE HA H 1 3.729 0.020 A 16 PHE HBy H 1 3.210 0.020 A 16 PHE HBx H 1 2.891 0.020 A 16 PHE HD1 H 1 6.483 0.020 A 16 PHE HD2 H 1 6.483 0.020 A 16 PHE HE1 H 1 6.892 0.020 A 16 PHE HE2 H 1 6.892 0.020 A 16 PHE HZ H 1 7.417 0.020 A 16 PHE C C 13 177.493 0.3 A 16 PHE CA C 13 61.856 0.3 A 16 PHE CB C 13 40.780 0.3 A 16 PHE CD1 C 13 131.838 0.3 A 16 PHE CE1 C 13 131.404 0.3 A 16 PHE CZ C 13 130.782 0.3 A 16 PHE N N 15 117.796 0.3 A 17 SER H H 1 8.425 0.020 A 17 SER HA H 1 4.265 0.020 A 17 SER HB2 H 1 4.049 0.020 A 17 SER HB3 H 1 4.049 0.020 A 17 SER C C 13 175.852 0.3 A 17 SER CA C 13 61.798 0.3 A 17 SER CB C 13 63.265 0.3 A 17 SER N N 15 110.863 0.3 A 18 LEU H H 1 7.352 0.020 A 18 LEU HA H 1 3.930 0.020 A 18 LEU HBy H 1 1.720 0.020 A 18 LEU HBx H 1 1.124 0.020 A 18 LEU HD1% H 1 0.890 0.020 A 18 LEU HD2% H 1 0.750 0.020 A 18 LEU HG H 1 1.641 0.020 A 18 LEU C C 13 177.836 0.3 A 18 LEU CA C 13 56.901 0.3 A 18 LEU CB C 13 41.650 0.3 A 18 LEU CD1 C 13 24.602 0.3 A 18 LEU CD2 C 13 23.035 0.3 A 18 LEU CG C 13 26.506 0.3 A 18 LEU N N 15 121.010 0.3 A 19 PHE H H 1 7.393 0.020 A 19 PHE HA H 1 4.316 0.020 A 19 PHE HBy H 1 3.177 0.020 A 19 PHE HBx H 1 2.405 0.020 A 19 PHE HD1 H 1 7.299 0.020 A 19 PHE HD2 H 1 7.299 0.020 A 19 PHE HE1 H 1 7.295 0.020 A 19 PHE HE2 H 1 7.295 0.020 A 19 PHE HZ H 1 7.209 0.020 A 19 PHE C C 13 174.473 0.3 A 19 PHE CA C 13 58.196 0.3 A 19 PHE CB C 13 39.925 0.3 A 19 PHE CD1 C 13 132.355 0.3 A 19 PHE CE1 C 13 131.132 0.3 A 19 PHE CZ C 13 129.409 0.3 A 19 PHE N N 15 114.684 0.3 A 20 ASP H H 1 7.301 0.020 A 20 ASP HA H 1 4.939 0.020 A 20 ASP HBx H 1 2.394 0.020 A 20 ASP HBy H 1 2.834 0.020 A 20 ASP C C 13 176.973 0.3 A 20 ASP CA C 13 52.387 0.3 A 20 ASP CB C 13 39.851 0.3 A 20 ASP N N 15 122.374 0.3 A 21 LYS H H 1 8.084 0.020 A 21 LYS HA H 1 4.050 0.020 A 21 LYS HB2 H 1 1.880 0.020 A 21 LYS HB3 H 1 1.880 0.020 A 21 LYS HD2 H 1 1.689 0.020 A 21 LYS HD3 H 1 1.689 0.020 A 21 LYS HE2 H 1 2.997 0.020 A 21 LYS HE3 H 1 2.997 0.020 A 21 LYS HG2 H 1 1.471 0.020 A 21 LYS HG3 H 1 1.471 0.020 A 21 LYS C C 13 177.838 0.3 A 21 LYS CA C 13 58.489 0.3 A 21 LYS CB C 13 32.615 0.3 A 21 LYS CD C 13 28.810 0.3 A 21 LYS CE C 13 41.782 0.3 A 21 LYS CG C 13 24.385 0.3 A 21 LYS N N 15 123.575 0.3 A 22 ASP H H 1 8.731 0.020 A 22 ASP HA H 1 4.721 0.020 A 22 ASP HBy H 1 2.760 0.020 A 22 ASP HBx H 1 2.632 0.020 A 22 ASP C C 13 176.940 0.3 A 22 ASP CA C 13 54.639 0.3 A 22 ASP CB C 13 41.164 0.3 A 22 ASP N N 15 117.091 0.3 A 23 GLY H H 1 8.021 0.020 A 23 GLY HAx H 1 3.856 0.020 A 23 GLY HAy H 1 3.952 0.020 A 23 GLY C C 13 175.248 0.3 A 23 GLY CA C 13 46.877 0.3 A 23 GLY N N 15 110.212 0.3 A 24 ASP H H 1 8.776 0.020 A 24 ASP HA H 1 4.693 0.020 A 24 ASP HBy H 1 2.931 0.020 A 24 ASP HBx H 1 2.590 0.020 A 24 ASP C C 13 177.493 0.3 A 24 ASP CA C 13 53.498 0.3 A 24 ASP CB C 13 41.318 0.3 A 24 ASP N N 15 120.702 0.3 A 25 GLY H H 1 10.178 0.020 A 25 GLY HAx H 1 3.866 0.020 A 25 GLY HAy H 1 4.255 0.020 A 25 GLY C C 13 174.214 0.3 A 25 GLY CA C 13 45.757 0.3 A 25 GLY N N 15 111.816 0.3 A 26 THR H H 1 7.591 0.020 A 26 THR HA H 1 5.532 0.020 A 26 THR HB H 1 4.080 0.020 A 26 THR HG2% H 1 1.053 0.020 A 26 THR C C 13 172.830 0.3 A 26 THR CA C 13 59.647 0.3 A 26 THR CB C 13 73.059 0.3 A 26 THR CG2 C 13 21.555 0.3 A 26 THR N N 15 109.515 0.3 A 27 ILE H H 1 8.276 0.020 A 27 ILE HA H 1 4.779 0.020 A 27 ILE HB H 1 1.707 0.020 A 27 ILE HD1% H 1 0.312 0.020 A 27 ILE HG1y H 1 1.090 0.020 A 27 ILE HG1x H 1 0.749 0.020 A 27 ILE HG2% H 1 -0.118 0.020 A 27 ILE C C 13 176.112 0.3 A 27 ILE CA C 13 59.240 0.3 A 27 ILE CB C 13 41.362 0.3 A 27 ILE CD1 C 13 13.736 0.3 A 27 ILE CG1 C 13 24.785 0.3 A 27 ILE CG2 C 13 16.309 0.3 A 27 ILE N N 15 110.393 0.3 A 28 THR H H 1 8.347 0.020 A 28 THR HA H 1 5.058 0.020 A 28 THR HB H 1 4.650 0.020 A 28 THR HG2% H 1 1.310 0.020 A 28 THR C C 13 176.968 0.3 A 28 THR CA C 13 60.381 0.3 A 28 THR CB C 13 70.730 0.3 A 28 THR CG2 C 13 21.867 0.3 A 28 THR N N 15 110.859 0.3 A 29 THR H H 1 8.318 0.020 A 29 THR HA H 1 3.738 0.020 A 29 THR HB H 1 4.222 0.020 A 29 THR HG2% H 1 1.147 0.020 A 29 THR C C 13 177.148 0.3 A 29 THR CA C 13 65.057 0.3 A 29 THR CB C 13 67.431 0.3 A 29 THR CG2 C 13 23.377 0.3 A 29 THR N N 15 112.524 0.3 A 30 LYS H H 1 7.670 0.020 A 30 LYS HA H 1 4.125 0.020 A 30 LYS HB2 H 1 1.823 0.020 A 30 LYS HB3 H 1 1.823 0.020 A 30 LYS HD2 H 1 1.674 0.020 A 30 LYS HD3 H 1 1.674 0.020 A 30 LYS HG2 H 1 1.492 0.020 A 30 LYS HG3 H 1 1.492 0.020 A 30 LYS C C 13 178.032 0.3 A 30 LYS CA C 13 58.407 0.3 A 30 LYS CB C 13 32.508 0.3 A 30 LYS CD C 13 28.411 0.3 A 30 LYS CE C 13 41.737 0.3 A 30 LYS CG C 13 24.817 0.3 A 30 LYS N N 15 118.959 0.3 A 31 GLU H H 1 7.528 0.020 A 31 GLU HA H 1 4.335 0.020 A 31 GLU HBx H 1 1.770 0.020 A 31 GLU HBy H 1 1.878 0.020 A 31 GLU HG2 H 1 2.191 0.020 A 31 GLU HG3 H 1 2.191 0.020 A 31 GLU C C 13 176.286 0.3 A 31 GLU CA C 13 56.019 0.3 A 31 GLU CB C 13 30.028 0.3 A 31 GLU CG C 13 36.457 0.3 A 31 GLU N N 15 117.563 0.3 A 32 LEU H H 1 7.357 0.020 A 32 LEU HA H 1 3.748 0.020 A 32 LEU HB2 H 1 1.786 0.020 A 32 LEU HB3 H 1 1.786 0.020 A 32 LEU HD1% H 1 0.282 0.020 A 32 LEU HD2% H 1 0.247 0.020 A 32 LEU HG H 1 1.259 0.020 A 32 LEU C C 13 178.179 0.3 A 32 LEU CA C 13 58.654 0.3 A 32 LEU CB C 13 41.680 0.3 A 32 LEU CG C 13 26.545 0.3 A 32 LEU N N 15 120.771 0.3 A 33 GLY H H 1 8.780 0.020 A 33 GLY HAx H 1 3.490 0.020 A 33 GLY HAy H 1 3.835 0.020 A 33 GLY C C 13 174.902 0.3 A 33 GLY CA C 13 47.999 0.3 A 33 GLY N N 15 105.441 0.3 A 34 THR H H 1 7.514 0.020 A 34 THR HA H 1 3.765 0.020 A 34 THR HB H 1 3.994 0.020 A 34 THR HG2% H 1 1.196 0.020 A 34 THR C C 13 177.310 0.3 A 34 THR CA C 13 66.031 0.3 A 34 THR CB C 13 68.048 0.3 A 34 THR CG2 C 13 23.138 0.3 A 34 THR N N 15 118.332 0.3 A 35 VAL H H 1 7.988 0.020 A 35 VAL HA H 1 3.339 0.020 A 35 VAL HB H 1 1.902 0.020 A 35 VAL HG1% H 1 0.694 0.020 A 35 VAL HG2% H 1 0.504 0.020 A 35 VAL C C 13 179.454 0.3 A 35 VAL CA C 13 66.398 0.3 A 35 VAL CB C 13 31.361 0.3 A 35 VAL CG1 C 13 21.949 0.3 A 35 VAL CG2 C 13 22.484 0.3 A 35 VAL N N 15 122.707 0.3 A 36 MET H H 1 8.470 0.020 A 36 MET HA H 1 4.016 0.020 A 36 MET HBy H 1 2.065 0.020 A 36 MET HBx H 1 1.827 0.020 A 36 MET HE% H 1 1.836 0.020 A 36 MET HGy H 1 2.793 0.020 A 36 MET HGx H 1 2.468 0.020 A 36 MET C C 13 179.114 0.3 A 36 MET CA C 13 60.134 0.3 A 36 MET CB C 13 31.964 0.3 A 36 MET CE C 13 17.225 0.3 A 36 MET CG C 13 33.271 0.3 A 36 MET N N 15 118.452 0.3 A 37 ARG H H 1 8.524 0.020 A 37 ARG HA H 1 4.709 0.020 A 37 ARG HB2 H 1 1.887 0.020 A 37 ARG HB3 H 1 1.887 0.020 A 37 ARG HD2 H 1 3.060 0.020 A 37 ARG HD3 H 1 3.060 0.020 A 37 ARG HG2 H 1 1.730 0.020 A 37 ARG HG3 H 1 1.730 0.020 A 37 ARG C C 13 181.288 0.3 A 37 ARG CA C 13 59.105 0.3 A 37 ARG CB C 13 30.178 0.3 A 37 ARG CD C 13 43.415 0.3 A 37 ARG CG C 13 29.275 0.3 A 37 ARG N N 15 119.150 0.3 A 38 SER H H 1 8.120 0.020 A 38 SER HA H 1 4.446 0.020 A 38 SER HB2 H 1 4.198 0.020 A 38 SER HB3 H 1 4.198 0.020 A 38 SER C C 13 174.990 0.3 A 38 SER CA C 13 61.689 0.3 A 38 SER CB C 13 62.990 0.3 A 38 SER N N 15 118.978 0.3 A 39 LEU H H 1 7.346 0.020 A 39 LEU HA H 1 4.627 0.020 A 39 LEU HB2 H 1 1.860 0.020 A 39 LEU HB3 H 1 1.860 0.020 A 39 LEU HD1% H 1 1.132 0.020 A 39 LEU HD2% H 1 1.132 0.020 A 39 LEU HG H 1 0.988 0.020 A 39 LEU C C 13 177.318 0.3 A 39 LEU CA C 13 54.312 0.3 A 39 LEU CB C 13 42.766 0.3 A 39 LEU CG C 13 26.449 0.3 A 39 LEU N N 15 121.095 0.3 A 40 GLY H H 1 7.930 0.020 A 40 GLY HAx H 1 3.870 0.020 A 40 GLY HAy H 1 4.267 0.020 A 40 GLY C C 13 174.385 0.3 A 40 GLY CA C 13 45.662 0.3 A 40 GLY N N 15 107.102 0.3 A 41 GLN H H 1 7.774 0.020 A 41 GLN HA H 1 4.436 0.020 A 41 GLN HB2 H 1 2.043 0.020 A 41 GLN HB3 H 1 2.043 0.020 A 41 GLN HGy H 1 2.191 0.020 A 41 GLN HGx H 1 2.072 0.020 A 41 GLN C C 13 174.039 0.3 A 41 GLN CA C 13 53.868 0.3 A 41 GLN CB C 13 30.187 0.3 A 41 GLN CG C 13 33.063 0.3 A 41 GLN N N 15 117.659 0.3 A 42 ASN H H 1 8.680 0.020 A 42 ASN HA H 1 5.189 0.020 A 42 ASN HBx H 1 2.525 0.020 A 42 ASN HBy H 1 2.758 0.020 A 42 ASN C C 13 172.330 0.3 A 42 ASN CA C 13 51.037 0.3 A 42 ASN CB C 13 39.074 0.3 A 42 ASN N N 15 116.553 0.3 A 43 PRO HA H 1 4.739 0.020 A 43 PRO HBy H 1 2.056 0.020 A 43 PRO HBx H 1 1.951 0.020 A 43 PRO HDy H 1 3.683 0.020 A 43 PRO HDx H 1 3.294 0.020 A 43 PRO HG2 H 1 1.968 0.020 A 43 PRO HG3 H 1 1.968 0.020 A 43 PRO C C 13 177.665 0.3 A 43 PRO CA C 13 62.307 0.3 A 43 PRO CB C 13 31.923 0.3 A 43 PRO CD C 13 49.816 0.3 A 43 PRO CG C 13 27.351 0.3 A 44 THR H H 1 8.784 0.020 A 44 THR HA H 1 4.381 0.020 A 44 THR HB H 1 4.712 0.020 A 44 THR HG2% H 1 1.332 0.020 A 44 THR C C 13 175.075 0.3 A 44 THR CA C 13 60.643 0.3 A 44 THR CB C 13 71.181 0.3 A 44 THR CG2 C 13 21.685 0.3 A 44 THR N N 15 113.231 0.3 A 45 GLU H H 1 8.844 0.020 A 45 GLU HA H 1 4.049 0.020 A 45 GLU HB2 H 1 2.030 0.020 A 45 GLU HB3 H 1 2.030 0.020 A 45 GLU HG2 H 1 2.360 0.020 A 45 GLU HG3 H 1 2.360 0.020 A 45 GLU C C 13 179.333 0.3 A 45 GLU CA C 13 59.885 0.3 A 45 GLU CB C 13 29.069 0.3 A 45 GLU CG C 13 36.471 0.3 A 45 GLU N N 15 120.381 0.3 A 46 ALA H H 1 8.310 0.020 A 46 ALA HA H 1 4.079 0.020 A 46 ALA HB% H 1 1.374 0.020 A 46 ALA C C 13 180.080 0.3 A 46 ALA CA C 13 55.357 0.3 A 46 ALA CB C 13 18.476 0.3 A 46 ALA N N 15 120.921 0.3 A 47 GLU H H 1 7.743 0.020 A 47 GLU HA H 1 4.025 0.020 A 47 GLU HB2 H 1 2.261 0.020 A 47 GLU HB3 H 1 2.261 0.020 A 47 GLU C C 13 179.907 0.3 A 47 GLU CA C 13 58.608 0.3 A 47 GLU CB C 13 30.259 0.3 A 47 GLU CG C 13 36.975 0.3 A 47 GLU N N 15 118.684 0.3 A 48 LEU H H 1 8.267 0.020 A 48 LEU HA H 1 4.058 0.020 A 48 LEU HBy H 1 1.836 0.020 A 48 LEU HBx H 1 1.422 0.020 A 48 LEU HD1% H 1 0.819 0.020 A 48 LEU HD2% H 1 0.819 0.020 A 48 LEU C C 13 178.530 0.3 A 48 LEU CA C 13 57.979 0.3 A 48 LEU CB C 13 41.784 0.3 A 48 LEU N N 15 119.963 0.3 A 49 GLN H H 1 8.024 0.020 A 49 GLN HA H 1 3.944 0.020 A 49 GLN HB2 H 1 2.140 0.020 A 49 GLN HB3 H 1 2.140 0.020 A 49 GLN HG2 H 1 2.462 0.020 A 49 GLN HG3 H 1 2.462 0.020 A 49 GLN C C 13 178.175 0.3 A 49 GLN CA C 13 58.870 0.3 A 49 GLN CB C 13 27.677 0.3 A 49 GLN CG C 13 33.719 0.3 A 49 GLN N N 15 117.114 0.3 A 50 ASP H H 1 7.738 0.020 A 50 ASP HA H 1 4.446 0.020 A 50 ASP HBx H 1 2.609 0.020 A 50 ASP HBy H 1 2.742 0.020 A 50 ASP C C 13 179.158 0.3 A 50 ASP CA C 13 57.026 0.3 A 50 ASP CB C 13 40.380 0.3 A 50 ASP N N 15 118.192 0.3 A 51 MET H H 1 7.928 0.020 A 51 MET HA H 1 4.090 0.020 A 51 MET HBy H 1 2.286 0.020 A 51 MET HBx H 1 2.107 0.020 A 51 MET HE% H 1 1.970 0.020 A 51 MET HG2 H 1 2.632 0.020 A 51 MET HG3 H 1 2.632 0.020 A 51 MET C C 13 179.158 0.3 A 51 MET CA C 13 58.965 0.3 A 51 MET CB C 13 34.171 0.3 A 51 MET CE C 13 17.291 0.3 A 51 MET CG C 13 32.733 0.3 A 51 MET N N 15 118.809 0.3 A 52 ILE H H 1 8.055 0.020 A 52 ILE HA H 1 3.566 0.020 A 52 ILE HB H 1 1.913 0.020 A 52 ILE HD1% H 1 0.819 0.020 A 52 ILE HG2% H 1 0.901 0.020 A 52 ILE C C 13 178.699 0.3 A 52 ILE CA C 13 64.729 0.3 A 52 ILE CB C 13 37.881 0.3 A 52 ILE CD1 C 13 13.425 0.3 A 52 ILE CG1 C 13 29.610 0.3 A 52 ILE CG2 C 13 17.514 0.3 A 52 ILE N N 15 117.841 0.3 A 53 ILE H H 1 7.849 0.020 A 53 ILE HA H 1 3.876 0.020 A 53 ILE HB H 1 1.944 0.020 A 53 ILE HD1% H 1 0.879 0.020 A 53 ILE HG1x H 1 1.279 0.020 A 53 ILE HG1y H 1 1.645 0.020 A 53 ILE HG2% H 1 0.938 0.020 A 53 ILE C C 13 177.041 0.3 A 53 ILE CA C 13 63.727 0.3 A 53 ILE CB C 13 37.915 0.3 A 53 ILE CD1 C 13 13.217 0.3 A 53 ILE CG1 C 13 28.991 0.3 A 53 ILE CG2 C 13 17.375 0.3 A 53 ILE N N 15 119.245 0.3 A 54 GLU H H 1 7.515 0.020 A 54 GLU HA H 1 4.082 0.020 A 54 GLU HB2 H 1 2.082 0.020 A 54 GLU HB3 H 1 2.082 0.020 A 54 GLU HG2 H 1 2.376 0.020 A 54 GLU HG3 H 1 2.376 0.020 A 54 GLU C C 13 178.011 0.3 A 54 GLU CA C 13 58.392 0.3 A 54 GLU CB C 13 30.143 0.3 A 54 GLU CG C 13 36.075 0.3 A 54 GLU N N 15 118.129 0.3 A 55 VAL H H 1 7.670 0.020 A 55 VAL HA H 1 4.318 0.020 A 55 VAL HB H 1 2.233 0.020 A 55 VAL HG1% H 1 0.969 0.020 A 55 VAL HG2% H 1 0.969 0.020 A 55 VAL C C 13 175.933 0.3 A 55 VAL CA C 13 62.373 0.3 A 55 VAL CB C 13 33.152 0.3 A 55 VAL CG1 C 13 21.531 0.3 A 55 VAL CG2 C 13 20.482 0.3 A 55 VAL N N 15 113.053 0.3 A 56 ASP H H 1 8.388 0.020 A 56 ASP HA H 1 4.931 0.020 A 56 ASP HBy H 1 2.805 0.020 A 56 ASP HBx H 1 2.460 0.020 A 56 ASP C C 13 177.056 0.3 A 56 ASP CA C 13 53.482 0.3 A 56 ASP CB C 13 40.605 0.3 A 56 ASP N N 15 121.914 0.3 A 57 ALA H H 1 8.185 0.020 A 57 ALA HA H 1 4.210 0.020 A 57 ALA HB% H 1 1.440 0.020 A 57 ALA C C 13 179.185 0.3 A 57 ALA CA C 13 54.406 0.3 A 57 ALA CB C 13 18.293 0.3 A 57 ALA N N 15 124.566 0.3 A 58 ASP H H 1 8.414 0.020 A 58 ASP HA H 1 4.686 0.020 A 58 ASP HBy H 1 2.750 0.020 A 58 ASP HBx H 1 2.621 0.020 A 58 ASP C C 13 177.036 0.3 A 58 ASP CA C 13 54.380 0.3 A 58 ASP CB C 13 41.246 0.3 A 58 ASP N N 15 114.926 0.3 A 59 GLY H H 1 7.947 0.020 A 59 GLY HAx H 1 3.858 0.020 A 59 GLY HAy H 1 3.917 0.020 A 59 GLY C C 13 175.633 0.3 A 59 GLY CA C 13 46.382 0.3 A 59 GLY N N 15 108.967 0.3 A 60 ASN H H 1 9.107 0.020 A 60 ASN HA H 1 4.713 0.020 A 60 ASN HB2 H 1 2.895 0.020 A 60 ASN HB3 H 1 2.895 0.020 A 60 ASN C C 13 177.221 0.3 A 60 ASN CA C 13 54.045 0.3 A 60 ASN CB C 13 39.323 0.3 A 60 ASN N N 15 119.498 0.3 A 61 GLY H H 1 9.785 0.020 A 61 GLY HAx H 1 3.923 0.020 A 61 GLY HAy H 1 4.102 0.020 A 61 GLY C C 13 174.769 0.3 A 61 GLY CA C 13 45.898 0.3 A 61 GLY N N 15 110.146 0.3 A 62 THR H H 1 7.674 0.020 A 62 THR HA H 1 5.180 0.020 A 62 THR HB H 1 4.078 0.020 A 62 THR HG2% H 1 1.074 0.020 A 62 THR C C 13 172.984 0.3 A 62 THR CA C 13 59.649 0.3 A 62 THR CB C 13 72.654 0.3 A 62 THR CG2 C 13 21.761 0.3 A 62 THR N N 15 111.094 0.3 A 63 ILE H H 1 8.929 0.020 A 63 ILE HA H 1 4.608 0.020 A 63 ILE HB H 1 1.801 0.020 A 63 ILE HD1% H 1 0.869 0.020 A 63 ILE HG1y H 1 1.530 0.020 A 63 ILE HG1x H 1 1.084 0.020 A 63 ILE HG2% H 1 1.102 0.020 A 63 ILE C C 13 174.614 0.3 A 63 ILE CA C 13 59.702 0.3 A 63 ILE CB C 13 41.471 0.3 A 63 ILE CD1 C 13 15.332 0.3 A 63 ILE CG1 C 13 27.187 0.3 A 63 ILE CG2 C 13 17.802 0.3 A 63 ILE N N 15 118.906 0.3 A 64 ASP H H 1 8.441 0.020 A 64 ASP HA H 1 5.587 0.020 A 64 ASP HBy H 1 3.225 0.020 A 64 ASP HBx H 1 2.755 0.020 A 64 ASP C C 13 176.243 0.3 A 64 ASP CA C 13 51.693 0.3 A 64 ASP CB C 13 41.756 0.3 A 64 ASP N N 15 124.256 0.3 A 65 PHE H H 1 8.664 0.020 A 65 PHE HA H 1 3.814 0.020 A 65 PHE HB2 H 1 2.970 0.020 A 65 PHE HD1 H 1 6.494 0.020 A 65 PHE HD2 H 1 6.494 0.020 A 65 PHE HE1 H 1 7.149 0.020 A 65 PHE HE2 H 1 7.149 0.020 A 65 PHE HZ H 1 7.418 0.020 A 65 PHE C C 13 173.890 0.3 A 65 PHE CA C 13 62.834 0.3 A 65 PHE CB C 13 36.315 0.3 A 65 PHE CD1 C 13 132.062 0.3 A 65 PHE CE1 C 13 131.392 0.3 A 65 PHE CZ C 13 129.527 0.3 A 65 PHE N N 15 118.628 0.3 A 66 PRO HA H 1 3.887 0.020 A 66 PRO HBy H 1 2.226 0.020 A 66 PRO HBx H 1 1.880 0.020 A 66 PRO HDy H 1 3.834 0.020 A 66 PRO HDx H 1 3.796 0.020 A 66 PRO HG2 H 1 1.896 0.020 A 66 PRO HG3 H 1 1.896 0.020 A 66 PRO C C 13 180.096 0.3 A 66 PRO CA C 13 66.427 0.3 A 66 PRO CB C 13 30.368 0.3 A 66 PRO CD C 13 49.360 0.3 A 66 PRO CG C 13 28.489 0.3 A 67 GLU H H 1 8.097 0.020 A 67 GLU HA H 1 4.039 0.020 A 67 GLU HBy H 1 2.524 0.020 A 67 GLU HBx H 1 1.962 0.020 A 67 GLU HG2 H 1 2.374 0.020 A 67 GLU HG3 H 1 2.374 0.020 A 67 GLU C C 13 179.105 0.3 A 67 GLU CA C 13 59.069 0.3 A 67 GLU CB C 13 28.978 0.3 A 67 GLU CG C 13 34.991 0.3 A 67 GLU N N 15 117.642 0.3 A 68 PHE H H 1 8.491 0.020 A 68 PHE HA H 1 4.092 0.020 A 68 PHE HB2 H 1 3.170 0.020 A 68 PHE HB3 H 1 3.170 0.020 A 68 PHE HD1 H 1 6.934 0.020 A 68 PHE HD2 H 1 6.934 0.020 A 68 PHE HE1 H 1 7.089 0.020 A 68 PHE HE2 H 1 7.089 0.020 A 68 PHE HZ H 1 7.036 0.020 A 68 PHE C C 13 176.955 0.3 A 68 PHE CA C 13 61.408 0.3 A 68 PHE CB C 13 39.506 0.3 A 68 PHE CD1 C 13 131.428 0.3 A 68 PHE CE1 C 13 130.102 0.3 A 68 PHE CZ C 13 130.002 0.3 A 68 PHE N N 15 122.463 0.3 A 69 LEU H H 1 8.467 0.020 A 69 LEU HA H 1 3.350 0.020 A 69 LEU HBy H 1 1.473 0.020 A 69 LEU HBx H 1 1.200 0.020 A 69 LEU HD1% H 1 0.727 0.020 A 69 LEU HD2% H 1 0.727 0.020 A 69 LEU HG H 1 0.933 0.020 A 69 LEU C C 13 179.566 0.3 A 69 LEU CA C 13 57.722 0.3 A 69 LEU CB C 13 40.991 0.3 A 69 LEU CD1 C 13 24.259 0.3 A 69 LEU CD2 C 13 25.519 0.3 A 69 LEU CG C 13 25.587 0.3 A 69 LEU N N 15 118.558 0.3 A 70 THR H H 1 7.733 0.020 A 70 THR HA H 1 3.782 0.020 A 70 THR HB H 1 4.284 0.020 A 70 THR HG2% H 1 1.225 0.020 A 70 THR C C 13 176.823 0.3 A 70 THR CA C 13 66.257 0.3 A 70 THR CB C 13 68.394 0.3 A 70 THR CG2 C 13 21.414 0.3 A 70 THR N N 15 115.496 0.3 A 71 MET H H 1 7.759 0.020 A 71 MET HA H 1 3.962 0.020 A 71 MET HBy H 1 2.200 0.020 A 71 MET HBx H 1 2.069 0.020 A 71 MET HE% H 1 1.946 0.020 A 71 MET HGy H 1 2.647 0.020 A 71 MET HGx H 1 2.376 0.020 A 71 MET C C 13 178.755 0.3 A 71 MET CA C 13 59.486 0.3 A 71 MET CB C 13 32.482 0.3 A 71 MET CE C 13 17.291 0.3 A 71 MET CG C 13 32.482 0.3 A 71 MET N N 15 121.165 0.3 A 72 MET H H 1 8.034 0.020 A 72 MET HA H 1 3.999 0.020 A 72 MET HB2 H 1 1.483 0.020 A 72 MET HB3 H 1 1.483 0.020 A 72 MET HE% H 1 1.919 0.020 A 72 MET HGy H 1 1.140 0.020 A 72 MET HGx H 1 1.007 0.020 A 72 MET C C 13 178.715 0.3 A 72 MET CA C 13 55.801 0.3 A 72 MET CB C 13 30.806 0.3 A 72 MET CE C 13 18.282 0.3 A 72 MET CG C 13 32.050 0.3 A 72 MET N N 15 117.526 0.3 A 73 ALA H H 1 8.299 0.020 A 73 ALA HA H 1 4.007 0.020 A 73 ALA HB% H 1 1.386 0.020 A 73 ALA C C 13 179.827 0.3 A 73 ALA CA C 13 54.745 0.3 A 73 ALA CB C 13 17.203 0.3 A 73 ALA N N 15 121.024 0.3 A 74 ARG H H 1 7.471 0.020 A 74 ARG HA H 1 4.037 0.020 A 74 ARG HB2 H 1 1.913 0.020 A 74 ARG HB3 H 1 1.913 0.020 A 74 ARG HD2 H 1 3.144 0.020 A 74 ARG HD3 H 1 3.144 0.020 A 74 ARG HGy H 1 1.777 0.020 A 74 ARG HGx H 1 1.617 0.020 A 74 ARG C C 13 178.241 0.3 A 74 ARG CA C 13 58.734 0.3 A 74 ARG CB C 13 30.122 0.3 A 74 ARG CD C 13 43.477 0.3 A 74 ARG CG C 13 27.255 0.3 A 74 ARG N N 15 116.736 0.3 A 75 LYS H H 1 7.728 0.020 A 75 LYS HA H 1 4.197 0.020 A 75 LYS HBy H 1 1.902 0.020 A 75 LYS HBx H 1 1.786 0.020 A 75 LYS HD2 H 1 1.679 0.020 A 75 LYS HD3 H 1 1.679 0.020 A 75 LYS HEy H 1 2.930 0.020 A 75 LYS HEx H 1 2.804 0.020 A 75 LYS HG2 H 1 1.433 0.020 A 75 LYS HG3 H 1 1.433 0.020 A 75 LYS C C 13 177.976 0.3 A 75 LYS CA C 13 56.605 0.3 A 75 LYS CB C 13 31.605 0.3 A 75 LYS CD C 13 27.895 0.3 A 75 LYS CE C 13 41.371 0.3 A 75 LYS CG C 13 24.170 0.3 A 75 LYS N N 15 118.196 0.3 A 76 MET H H 1 7.947 0.020 A 76 MET HA H 1 4.288 0.020 A 76 MET HBy H 1 2.222 0.020 A 76 MET HBx H 1 2.056 0.020 A 76 MET HE% H 1 3.006 0.020 A 76 MET HGy H 1 2.636 0.020 A 76 MET HGx H 1 2.578 0.020 A 76 MET C C 13 176.742 0.3 A 76 MET CA C 13 56.532 0.3 A 76 MET CB C 13 33.049 0.3 A 76 MET CE C 13 17.539 0.3 A 76 MET CG C 13 32.223 0.3 A 76 MET N N 15 117.802 0.3 A 77 LYS H H 1 7.732 0.020 A 77 LYS HA H 1 4.260 0.020 A 77 LYS HB2 H 1 1.844 0.020 A 77 LYS HB3 H 1 1.844 0.020 A 77 LYS HD2 H 1 1.675 0.020 A 77 LYS HD3 H 1 1.675 0.020 A 77 LYS HE2 H 1 2.977 0.020 A 77 LYS HE3 H 1 2.977 0.020 A 77 LYS HG2 H 1 1.459 0.020 A 77 LYS HG3 H 1 1.459 0.020 A 77 LYS C C 13 176.847 0.3 A 77 LYS CA C 13 56.869 0.3 A 77 LYS CB C 13 32.851 0.3 A 77 LYS CD C 13 29.023 0.3 A 77 LYS CE C 13 40.459 0.3 A 77 LYS CG C 13 24.447 0.3 A 77 LYS N N 15 120.576 0.3 A 78 ASP H H 1 8.336 0.020 A 78 ASP HA H 1 4.700 0.020 A 78 ASP HB2 H 1 2.718 0.020 A 78 ASP HB3 H 1 2.718 0.020 A 78 ASP C C 13 176.946 0.3 A 78 ASP CA C 13 54.707 0.3 A 78 ASP CB C 13 40.976 0.3 A 78 ASP N N 15 121.981 0.3 A 79 THR H H 1 8.168 0.020 A 79 THR HA H 1 4.301 0.020 A 79 THR HB H 1 4.295 0.020 A 79 THR HG2% H 1 1.184 0.020 A 79 THR C C 13 174.802 0.3 A 79 THR CA C 13 62.541 0.3 A 79 THR CB C 13 69.540 0.3 A 79 THR CG2 C 13 21.464 0.3 A 79 THR N N 15 114.876 0.3 A 80 ASP H H 1 8.462 0.020 A 80 ASP HA H 1 4.689 0.020 A 80 ASP HB2 H 1 2.686 0.020 A 80 ASP HB3 H 1 2.686 0.020 A 80 ASP C C 13 177.089 0.3 A 80 ASP CA C 13 54.820 0.3 A 80 ASP CB C 13 41.324 0.3 A 80 ASP N N 15 123.134 0.3 A 81 SER H H 1 8.467 0.020 A 81 SER HA H 1 4.395 0.020 A 81 SER HBy H 1 4.044 0.020 A 81 SER HBx H 1 3.956 0.020 A 81 SER C C 13 175.650 0.3 A 81 SER CA C 13 60.086 0.3 A 81 SER CB C 13 63.470 0.3 A 81 SER N N 15 117.194 0.3 A 82 GLU H H 1 8.438 0.020 A 82 GLU HA H 1 3.988 0.020 A 82 GLU HBy H 1 2.097 0.020 A 82 GLU HBx H 1 2.027 0.020 A 82 GLU HG2 H 1 2.308 0.020 A 82 GLU HG3 H 1 2.308 0.020 A 82 GLU C C 13 177.796 0.3 A 82 GLU CA C 13 59.456 0.3 A 82 GLU CB C 13 29.975 0.3 A 82 GLU CG C 13 36.602 0.3 A 82 GLU N N 15 121.862 0.3 A 83 GLU H H 1 8.182 0.020 A 83 GLU HA H 1 4.106 0.020 A 83 GLU HB2 H 1 2.028 0.020 A 83 GLU HB3 H 1 2.028 0.020 A 83 GLU HG2 H 1 2.371 0.020 A 83 GLU HG3 H 1 2.371 0.020 A 83 GLU C C 13 178.459 0.3 A 83 GLU CA C 13 58.790 0.3 A 83 GLU CB C 13 29.592 0.3 A 83 GLU CG C 13 35.719 0.3 A 83 GLU N N 15 118.503 0.3 A 84 GLU H H 1 8.026 0.020 A 84 GLU HA H 1 4.021 0.020 A 84 GLU HB2 H 1 2.029 0.020 A 84 GLU HB3 H 1 2.029 0.020 A 84 GLU HGx H 1 2.303 0.020 A 84 GLU HGy H 1 2.366 0.020 A 84 GLU C C 13 179.544 0.3 A 84 GLU CA C 13 59.494 0.3 A 84 GLU CB C 13 29.150 0.3 A 84 GLU CG C 13 36.471 0.3 A 84 GLU N N 15 119.165 0.3 A 85 ILE H H 1 7.949 0.020 A 85 ILE HA H 1 3.643 0.020 A 85 ILE HB H 1 1.914 0.020 A 85 ILE HD1% H 1 0.803 0.020 A 85 ILE HG1y H 1 1.693 0.020 A 85 ILE HG1x H 1 1.038 0.020 A 85 ILE HG2% H 1 0.953 0.020 A 85 ILE C C 13 177.218 0.3 A 85 ILE CA C 13 64.546 0.3 A 85 ILE CB C 13 37.801 0.3 A 85 ILE CD1 C 13 13.437 0.3 A 85 ILE CG1 C 13 29.043 0.3 A 85 ILE CG2 C 13 18.945 0.3 A 85 ILE N N 15 120.293 0.3 A 86 ARG H H 1 8.369 0.020 A 86 ARG HA H 1 3.945 0.020 A 86 ARG HB2 H 1 1.800 0.020 A 86 ARG HB3 H 1 1.800 0.020 A 86 ARG C C 13 177.719 0.3 A 86 ARG CA C 13 61.201 0.3 A 86 ARG CB C 13 29.482 0.3 A 86 ARG CD C 13 41.312 0.3 A 86 ARG N N 15 119.306 0.3 A 87 GLU H H 1 8.405 0.020 A 87 GLU HA H 1 3.967 0.020 A 87 GLU HBy H 1 2.066 0.020 A 87 GLU HBx H 1 1.983 0.020 A 87 GLU HGy H 1 2.365 0.020 A 87 GLU HGx H 1 2.292 0.020 A 87 GLU C C 13 177.998 0.3 A 87 GLU CA C 13 58.688 0.3 A 87 GLU CB C 13 29.145 0.3 A 87 GLU CG C 13 36.120 0.3 A 87 GLU N N 15 116.982 0.3 A 88 ALA H H 1 7.522 0.020 A 88 ALA HA H 1 4.067 0.020 A 88 ALA HB% H 1 1.375 0.020 A 88 ALA C C 13 179.731 0.3 A 88 ALA CA C 13 54.709 0.3 A 88 ALA CB C 13 18.470 0.3 A 88 ALA N N 15 121.312 0.3 A 89 PHE H H 1 7.496 0.020 A 89 PHE HA H 1 4.245 0.020 A 89 PHE HD1 H 1 7.020 0.020 A 89 PHE HD2 H 1 7.020 0.020 A 89 PHE HE1 H 1 7.118 0.020 A 89 PHE HE2 H 1 7.118 0.020 A 89 PHE HZ H 1 7.072 0.020 A 89 PHE C C 13 178.023 0.3 A 89 PHE CA C 13 60.224 0.3 A 89 PHE CB C 13 39.318 0.3 A 89 PHE CD1 C 13 131.672 0.3 A 89 PHE CE1 C 13 131.720 0.3 A 89 PHE CZ C 13 129.373 0.3 A 89 PHE N N 15 114.242 0.3 A 90 ARG H H 1 8.234 0.020 A 90 ARG HA H 1 3.797 0.020 A 90 ARG HB2 H 1 1.907 0.020 A 90 ARG HB3 H 1 1.907 0.020 A 90 ARG HD2 H 1 3.239 0.020 A 90 ARG HD3 H 1 3.239 0.020 A 90 ARG HG2 H 1 2.380 0.020 A 90 ARG HG3 H 1 2.380 0.020 A 90 ARG C C 13 178.397 0.3 A 90 ARG CA C 13 58.911 0.3 A 90 ARG CB C 13 30.755 0.3 A 90 ARG CD C 13 43.450 0.3 A 90 ARG CG C 13 27.706 0.3 A 90 ARG N N 15 117.975 0.3 A 91 VAL H H 1 7.176 0.020 A 91 VAL HA H 1 3.546 0.020 A 91 VAL HB H 1 1.707 0.020 A 91 VAL HG1% H 1 0.813 0.020 A 91 VAL HG2% H 1 0.359 0.020 A 91 VAL C C 13 176.928 0.3 A 91 VAL CA C 13 65.172 0.3 A 91 VAL CB C 13 31.896 0.3 A 91 VAL CG1 C 13 21.678 0.3 A 91 VAL CG2 C 13 20.539 0.3 A 91 VAL N N 15 117.002 0.3 A 92 PHE H H 1 7.353 0.020 A 92 PHE HA H 1 4.455 0.020 A 92 PHE HB2 H 1 2.759 0.020 A 92 PHE HB3 H 1 2.759 0.020 A 92 PHE HD1 H 1 7.269 0.020 A 92 PHE HD2 H 1 7.269 0.020 A 92 PHE HE1 H 1 7.100 0.020 A 92 PHE HE2 H 1 7.100 0.020 A 92 PHE HZ H 1 7.046 0.020 A 92 PHE C C 13 175.191 0.3 A 92 PHE CA C 13 58.729 0.3 A 92 PHE CB C 13 39.739 0.3 A 92 PHE CD1 C 13 131.420 0.3 A 92 PHE CE1 C 13 129.536 0.3 A 92 PHE CZ C 13 129.044 0.3 A 92 PHE N N 15 115.865 0.3 A 93 ASP H H 1 7.840 0.020 A 93 ASP HA H 1 5.042 0.020 A 93 ASP HBy H 1 3.170 0.020 A 93 ASP HBx H 1 2.554 0.020 A 93 ASP C C 13 176.662 0.3 A 93 ASP CA C 13 52.327 0.3 A 93 ASP CB C 13 40.069 0.3 A 93 ASP N N 15 121.358 0.3 A 94 LYS H H 1 8.421 0.020 A 94 LYS HA H 1 4.100 0.020 A 94 LYS HB2 H 1 1.871 0.020 A 94 LYS HB3 H 1 1.871 0.020 A 94 LYS HD2 H 1 1.715 0.020 A 94 LYS HD3 H 1 1.715 0.020 A 94 LYS HE2 H 1 3.061 0.020 A 94 LYS HE3 H 1 3.061 0.020 A 94 LYS HG2 H 1 1.560 0.020 A 94 LYS HG3 H 1 1.560 0.020 A 94 LYS C C 13 178.326 0.3 A 94 LYS CA C 13 59.091 0.3 A 94 LYS CB C 13 32.310 0.3 A 94 LYS CD C 13 28.641 0.3 A 94 LYS CE C 13 41.740 0.3 A 94 LYS CG C 13 24.544 0.3 A 94 LYS N N 15 124.327 0.3 A 95 ASP H H 1 8.615 0.020 A 95 ASP HA H 1 4.770 0.020 A 95 ASP HB2 H 1 2.724 0.020 A 95 ASP HB3 H 1 2.724 0.020 A 95 ASP C C 13 176.999 0.3 A 95 ASP CA C 13 54.044 0.3 A 95 ASP CB C 13 41.157 0.3 A 95 ASP N N 15 116.349 0.3 A 96 GLY H H 1 8.066 0.020 A 96 GLY HAx H 1 3.747 0.020 A 96 GLY HAy H 1 3.925 0.020 A 96 GLY C C 13 175.409 0.3 A 96 GLY CA C 13 46.669 0.3 A 96 GLY N N 15 110.071 0.3 A 97 ASN H H 1 9.029 0.020 A 97 ASN HA H 1 4.787 0.020 A 97 ASN HBy H 1 3.002 0.020 A 97 ASN HBx H 1 2.769 0.020 A 97 ASN C C 13 176.576 0.3 A 97 ASN CA C 13 53.203 0.3 A 97 ASN CB C 13 39.238 0.3 A 97 ASN N N 15 118.699 0.3 A 98 GLY H H 1 9.960 0.020 A 98 GLY HAx H 1 3.792 0.020 A 98 GLY HAy H 1 3.913 0.020 A 98 GLY C C 13 178.595 0.3 A 98 GLY CA C 13 45.458 0.3 A 98 GLY N N 15 110.100 0.3 A 99 TYR H H 1 7.780 0.020 A 99 TYR HA H 1 5.477 0.020 A 99 TYR HBx H 1 2.758 0.020 A 99 TYR HBy H 1 2.836 0.020 A 99 TYR HD1 H 1 6.804 0.020 A 99 TYR HD2 H 1 6.804 0.020 A 99 TYR HE1 H 1 6.780 0.020 A 99 TYR HE2 H 1 6.780 0.020 A 99 TYR C C 13 175.366 0.3 A 99 TYR CA C 13 56.666 0.3 A 99 TYR CB C 13 41.265 0.3 A 99 TYR CD1 C 13 133.489 0.3 A 99 TYR CE1 C 13 117.942 0.3 A 99 TYR N N 15 118.049 0.3 A 100 ILE H H 1 8.620 0.020 A 100 ILE HA H 1 4.996 0.020 A 100 ILE HB H 1 2.331 0.020 A 100 ILE HD1% H 1 0.686 0.020 A 100 ILE HG1y H 1 1.485 0.020 A 100 ILE HG1x H 1 1.112 0.020 A 100 ILE HG2% H 1 0.910 0.020 A 100 ILE C C 13 174.612 0.3 A 100 ILE CA C 13 59.372 0.3 A 100 ILE CB C 13 41.826 0.3 A 100 ILE CD1 C 13 13.841 0.3 A 100 ILE CG1 C 13 24.573 0.3 A 100 ILE CG2 C 13 18.415 0.3 A 100 ILE N N 15 113.473 0.3 A 101 SER H H 1 8.927 0.020 A 101 SER HA H 1 4.757 0.020 A 101 SER HB2 H 1 3.959 0.020 A 101 SER HB3 H 1 3.959 0.020 A 101 SER C C 13 175.839 0.3 A 101 SER CA C 13 57.711 0.3 A 101 SER CB C 13 64.800 0.3 A 101 SER N N 15 117.337 0.3 A 102 ALA H H 1 8.810 0.020 A 102 ALA HA H 1 3.849 0.020 A 102 ALA HB% H 1 1.387 0.020 A 102 ALA C C 13 179.453 0.3 A 102 ALA CA C 13 55.381 0.3 A 102 ALA CB C 13 18.110 0.3 A 102 ALA N N 15 124.420 0.3 A 103 ALA H H 1 8.271 0.020 A 103 ALA HA H 1 4.073 0.020 A 103 ALA HB% H 1 1.349 0.020 A 103 ALA C C 13 181.095 0.3 A 103 ALA CA C 13 54.811 0.3 A 103 ALA CB C 13 18.483 0.3 A 103 ALA N N 15 119.054 0.3 A 104 GLU H H 1 7.744 0.020 A 104 GLU HA H 1 3.710 0.020 A 104 GLU HB2 H 1 2.371 0.020 A 104 GLU HB3 H 1 2.371 0.020 A 104 GLU HG2 H 1 2.310 0.020 A 104 GLU HG3 H 1 2.310 0.020 A 104 GLU C C 13 177.937 0.3 A 104 GLU CA C 13 58.330 0.3 A 104 GLU CB C 13 30.586 0.3 A 104 GLU CG C 13 35.947 0.3 A 104 GLU N N 15 120.207 0.3 A 105 LEU H H 1 8.212 0.020 A 105 LEU HA H 1 3.746 0.020 A 105 LEU HB2 H 1 2.060 0.020 A 105 LEU HB3 H 1 2.060 0.020 A 105 LEU HD1% H 1 0.290 0.020 A 105 LEU HD2% H 1 0.260 0.020 A 105 LEU HG H 1 1.252 0.020 A 105 LEU C C 13 178.699 0.3 A 105 LEU CA C 13 58.872 0.3 A 105 LEU CB C 13 41.84 0.3 A 105 LEU CD1 C 13 24.134 0.3 A 105 LEU CD2 C 13 25.197 0.3 A 105 LEU CG C 13 27.106 0.3 A 105 LEU N N 15 120.730 0.3 A 106 ARG H H 1 8.050 0.020 A 106 ARG HA H 1 3.658 0.020 A 106 ARG HB2 H 1 1.745 0.020 A 106 ARG HB3 H 1 1.745 0.020 A 106 ARG HD2 H 1 3.021 0.020 A 106 ARG HD3 H 1 3.021 0.020 A 106 ARG HG2 H 1 1.484 0.020 A 106 ARG HG3 H 1 1.484 0.020 A 106 ARG C C 13 178.354 0.3 A 106 ARG CA C 13 59.916 0.3 A 106 ARG CB C 13 30.266 0.3 A 106 ARG CD C 13 42.950 0.3 A 106 ARG CG C 13 28.436 0.3 A 106 ARG N N 15 117.214 0.3 A 107 HIS H H 1 7.735 0.020 A 107 HIS HA H 1 4.264 0.020 A 107 HIS HBy H 1 3.317 0.020 A 107 HIS HBx H 1 3.157 0.020 A 107 HIS HD2 H 1 7.070 0.020 A 107 HIS HE1 H 1 8.400 0.020 A 107 HIS C C 13 177.357 0.3 A 107 HIS CA C 13 59.486 0.3 A 107 HIS CB C 13 28.432 0.3 A 107 HIS CD2 C 13 119.700 0.3 A 107 HIS CE1 C 13 137.137 0.3 A 107 HIS N N 15 118.436 0.3 A 108 VAL H H 1 8.125 0.020 A 108 VAL HA H 1 3.457 0.020 A 108 VAL HB H 1 1.904 0.020 A 108 VAL HG1% H 1 0.936 0.020 A 108 VAL HG2% H 1 0.124 0.020 A 108 VAL C C 13 178.691 0.3 A 108 VAL CA C 13 66.433 0.3 A 108 VAL CB C 13 31.700 0.3 A 108 VAL CG1 C 13 23.337 0.3 A 108 VAL CG2 C 13 21.095 0.3 A 108 VAL N N 15 119.588 0.3 A 109 MET H H 1 8.184 0.020 A 109 MET HA H 1 4.120 0.020 A 109 MET HBy H 1 2.092 0.020 A 109 MET HBx H 1 2.047 0.020 A 109 MET HE% H 1 1.864 0.020 A 109 MET HG2 H 1 2.129 0.020 A 109 MET HG3 H 1 2.129 0.020 A 109 MET C C 13 178.389 0.3 A 109 MET CA C 13 58.336 0.3 A 109 MET CB C 13 32.542 0.3 A 109 MET CE C 13 17.182 0.3 A 109 MET CG C 13 32.911 0.3 A 109 MET N N 15 115.339 0.3 A 110 THR H H 1 7.945 0.020 A 110 THR HA H 1 4.171 0.020 A 110 THR HB H 1 4.285 0.020 A 110 THR HG2% H 1 1.241 0.020 A 110 THR C C 13 176.005 0.3 A 110 THR CA C 13 64.647 0.3 A 110 THR CB C 13 69.004 0.3 A 110 THR CG2 C 13 21.487 0.3 A 110 THR N N 15 110.884 0.3 A 111 ASN H H 1 7.661 0.020 A 111 ASN HA H 1 4.656 0.020 A 111 ASN HBy H 1 2.731 0.020 A 111 ASN HBx H 1 2.640 0.020 A 111 ASN C C 13 176.003 0.3 A 111 ASN CA C 13 54.755 0.3 A 111 ASN CB C 13 39.036 0.3 A 111 ASN N N 15 119.801 0.3 A 112 LEU H H 1 7.740 0.020 A 112 LEU HA H 1 4.321 0.020 A 112 LEU HBy H 1 1.727 0.020 A 112 LEU HBx H 1 1.604 0.020 A 112 LEU HD1% H 1 0.745 0.020 A 112 LEU HD2% H 1 0.763 0.020 A 112 LEU C C 13 177.665 0.3 A 112 LEU CA C 13 55.170 0.3 A 112 LEU CB C 13 42.874 0.3 A 112 LEU CG C 13 26.292 0.3 A 112 LEU N N 15 119.953 0.3 A 113 GLY H H 1 8.174 0.020 A 113 GLY HAx H 1 3.848 0.020 A 113 GLY HAy H 1 3.937 0.020 A 113 GLY C C 13 174.834 0.3 A 113 GLY CA C 13 46.229 0.3 A 113 GLY N N 15 108.021 0.3 A 114 GLU H H 1 8.182 0.020 A 114 GLU HA H 1 4.245 0.020 A 114 GLU HBy H 1 2.028 0.020 A 114 GLU HBx H 1 1.869 0.020 A 114 GLU HG2 H 1 2.274 0.020 A 114 GLU HG3 H 1 2.274 0.020 A 114 GLU C C 13 176.428 0.3 A 114 GLU CA C 13 56.288 0.3 A 114 GLU CB C 13 29.998 0.3 A 114 GLU CG C 13 35.443 0.3 A 114 GLU N N 15 120.166 0.3 A 115 LYS H H 1 8.268 0.020 A 115 LYS HA H 1 4.182 0.020 A 115 LYS HB2 H 1 1.779 0.020 A 115 LYS HB3 H 1 1.779 0.020 A 115 LYS HD2 H 1 1.655 0.020 A 115 LYS HD3 H 1 1.655 0.020 A 115 LYS HE2 H 1 2.980 0.020 A 115 LYS HE3 H 1 2.980 0.020 A 115 LYS HG2 H 1 1.344 0.020 A 115 LYS HG3 H 1 1.344 0.020 A 115 LYS C C 13 176.409 0.3 A 115 LYS CA C 13 57.131 0.3 A 115 LYS CB C 13 32.169 0.3 A 115 LYS CD C 13 28.725 0.3 A 115 LYS CE C 13 39.989 0.3 A 115 LYS CG C 13 24.677 0.3 A 115 LYS N N 15 119.949 0.3 A 116 LEU H H 1 7.795 0.020 A 116 LEU HA H 1 4.700 0.020 A 116 LEU HB2 H 1 1.517 0.020 A 116 LEU HB3 H 1 1.517 0.020 A 116 LEU HD1% H 1 0.869 0.020 A 116 LEU HD2% H 1 0.841 0.020 A 116 LEU HG H 1 1.530 0.020 A 116 LEU C C 13 177.661 0.3 A 116 LEU CA C 13 54.088 0.3 A 116 LEU CB C 13 44.424 0.3 A 116 LEU CG C 13 26.592 0.3 A 116 LEU N N 15 121.080 0.3 A 117 THR H H 1 8.970 0.020 A 117 THR HA H 1 4.419 0.020 A 117 THR HB H 1 4.691 0.020 A 117 THR HG2% H 1 1.320 0.020 A 117 THR C C 13 175.420 0.3 A 117 THR CA C 13 60.800 0.3 A 117 THR CB C 13 70.741 0.3 A 117 THR CG2 C 13 21.464 0.3 A 117 THR N N 15 113.470 0.3 A 118 ASP H H 1 8.819 0.020 A 118 ASP HA H 1 4.195 0.020 A 118 ASP HBx H 1 2.556 0.020 A 118 ASP HBy H 1 2.660 0.020 A 118 ASP C C 13 178.247 0.3 A 118 ASP CA C 13 57.800 0.3 A 118 ASP CB C 13 39.998 0.3 A 118 ASP N N 15 120.914 0.3 A 119 GLU H H 1 8.578 0.020 A 119 GLU HA H 1 4.069 0.020 A 119 GLU HB2 H 1 1.921 0.020 A 119 GLU HB3 H 1 1.921 0.020 A 119 GLU HG2 H 1 2.293 0.020 A 119 GLU HG3 H 1 2.293 0.020 A 119 GLU C C 13 179.455 0.3 A 119 GLU CA C 13 59.878 0.3 A 119 GLU CB C 13 29.214 0.3 A 119 GLU CG C 13 36.987 0.3 A 119 GLU N N 15 117.961 0.3 A 120 GLU H H 1 7.805 0.020 A 120 GLU HA H 1 4.030 0.020 A 120 GLU HBy H 1 2.371 0.020 A 120 GLU HBx H 1 2.024 0.020 A 120 GLU HG2 H 1 2.475 0.020 A 120 GLU HG3 H 1 2.475 0.020 A 120 GLU C C 13 179.773 0.3 A 120 GLU CA C 13 59.462 0.3 A 120 GLU CB C 13 28.775 0.3 A 120 GLU CG C 13 36.461 0.3 A 120 GLU N N 15 120.465 0.3 A 121 VAL H H 1 8.219 0.020 A 121 VAL HA H 1 3.618 0.020 A 121 VAL HB H 1 2.172 0.020 A 121 VAL HG1% H 1 0.998 0.020 A 121 VAL HG2% H 1 0.917 0.020 A 121 VAL C C 13 177.658 0.3 A 121 VAL CA C 13 66.852 0.3 A 121 VAL CB C 13 31.512 0.3 A 121 VAL CG1 C 13 24.190 0.3 A 121 VAL CG2 C 13 21.810 0.3 A 121 VAL N N 15 120.730 0.3 A 122 ASP H H 1 8.374 0.020 A 122 ASP HA H 1 4.337 0.020 A 122 ASP HBy H 1 2.785 0.020 A 122 ASP HBx H 1 2.580 0.020 A 122 ASP C C 13 179.341 0.3 A 122 ASP CA C 13 57.636 0.3 A 122 ASP CB C 13 40.256 0.3 A 122 ASP N N 15 119.315 0.3 A 123 GLU H H 1 7.864 0.020 A 123 GLU HA H 1 4.021 0.020 A 123 GLU HB2 H 1 2.096 0.020 A 123 GLU HG2 H 1 2.369 0.020 A 123 GLU HG3 H 1 2.369 0.020 A 123 GLU C C 13 178.273 0.3 A 123 GLU CA C 13 59.082 0.3 A 123 GLU CB C 13 29.577 0.3 A 123 GLU CG C 13 35.878 0.3 A 123 GLU N N 15 119.259 0.3 A 124 MET H H 1 7.914 0.020 A 124 MET HA H 1 4.064 0.020 A 124 MET HBy H 1 2.306 0.020 A 124 MET HBx H 1 2.043 0.020 A 124 MET HE% H 1 2.078 0.020 A 124 MET HGx H 1 2.477 0.020 A 124 MET HGy H 1 2.762 0.020 A 124 MET C C 13 179.119 0.3 A 124 MET CA C 13 59.236 0.3 A 124 MET CB C 13 33.880 0.3 A 124 MET CE C 13 16.888 0.3 A 124 MET CG C 13 32.667 0.3 A 124 MET N N 15 118.731 0.3 A 125 ILE H H 1 8.326 0.020 A 125 ILE HA H 1 3.712 0.020 A 125 ILE HB H 1 1.953 0.020 A 125 ILE HD1% H 1 0.748 0.020 A 125 ILE HG1x H 1 1.722 0.020 A 125 ILE HG1y H 1 1.849 0.020 A 125 ILE HG2% H 1 0.849 0.020 A 125 ILE C C 13 177.919 0.3 A 125 ILE CA C 13 65.050 0.3 A 125 ILE CB C 13 37.774 0.3 A 125 ILE CD1 C 13 13.514 0.3 A 125 ILE CG1 C 13 29.891 0.3 A 125 ILE CG2 C 13 17.145 0.3 A 125 ILE N N 15 118.349 0.3 A 126 ARG H H 1 7.956 0.020 A 126 ARG HA H 1 4.081 0.020 A 126 ARG HB2 H 1 1.919 0.020 A 126 ARG HB3 H 1 1.919 0.020 A 126 ARG HD2 H 1 3.228 0.020 A 126 ARG HD3 H 1 3.228 0.020 A 126 ARG HGy H 1 1.754 0.020 A 126 ARG HGx H 1 1.608 0.020 A 126 ARG C C 13 179.017 0.3 A 126 ARG CA C 13 59.468 0.3 A 126 ARG CB C 13 30.164 0.3 A 126 ARG CD C 13 43.224 0.3 A 126 ARG CG C 13 27.424 0.3 A 126 ARG N N 15 119.713 0.3 A 127 GLU H H 1 7.851 0.020 A 127 GLU HA H 1 4.224 0.020 A 127 GLU HBy H 1 2.191 0.020 A 127 GLU HBx H 1 2.003 0.020 A 127 GLU HG2 H 1 2.577 0.020 A 127 GLU HG3 H 1 2.577 0.020 A 127 GLU C C 13 176.864 0.3 A 127 GLU CA C 13 57.151 0.3 A 127 GLU CB C 13 29.584 0.3 A 127 GLU CG C 13 35.394 0.3 A 127 GLU N N 15 116.665 0.3 A 128 ALA H H 1 7.610 0.020 A 128 ALA HA H 1 4.349 0.020 A 128 ALA HB% H 1 1.532 0.020 A 128 ALA C C 13 177.108 0.3 A 128 ALA CA C 13 52.425 0.3 A 128 ALA CB C 13 19.809 0.3 A 128 ALA N N 15 121.551 0.3 A 129 ASP H H 1 8.357 0.020 A 129 ASP HA H 1 4.763 0.020 A 129 ASP HBy H 1 2.910 0.020 A 129 ASP HBx H 1 2.586 0.020 A 129 ASP C C 13 175.673 0.3 A 129 ASP CA C 13 53.912 0.3 A 129 ASP CB C 13 40.118 0.3 A 129 ASP N N 15 119.539 0.3 A 130 ILE H H 1 7.846 0.020 A 130 ILE HA H 1 4.501 0.020 A 130 ILE HB H 1 1.858 0.020 A 130 ILE HD1% H 1 0.846 0.020 A 130 ILE HG1y H 1 1.514 0.020 A 130 ILE HG1x H 1 1.178 0.020 A 130 ILE HG2% H 1 0.933 0.020 A 130 ILE C C 13 176.923 0.3 A 130 ILE CA C 13 60.817 0.3 A 130 ILE CB C 13 39.372 0.3 A 130 ILE CD1 C 13 13.241 0.3 A 130 ILE CG1 C 13 27.258 0.3 A 130 ILE CG2 C 13 17.492 0.3 A 130 ILE N N 15 120.930 0.3 A 131 ASP H H 1 8.618 0.020 A 131 ASP HA H 1 4.659 0.020 A 131 ASP HBy H 1 2.775 0.020 A 131 ASP HBx H 1 2.564 0.020 A 131 ASP C C 13 177.980 0.3 A 131 ASP CA C 13 53.591 0.3 A 131 ASP CB C 13 41.178 0.3 A 131 ASP N N 15 124.089 0.3 A 132 GLY H H 1 8.370 0.020 A 132 GLY HAx H 1 3.865 0.020 A 132 GLY HAy H 1 4.234 0.020 A 132 GLY C C 13 174.699 0.3 A 132 GLY CA C 13 46.538 0.3 A 132 GLY N N 15 107.928 0.3 A 133 ASP H H 1 8.280 0.020 A 133 ASP HA H 1 4.810 0.020 A 133 ASP HBy H 1 2.750 0.020 A 133 ASP HBx H 1 2.612 0.020 A 133 ASP C C 13 177.006 0.3 A 133 ASP CA C 13 53.530 0.3 A 133 ASP CB C 13 41.442 0.3 A 133 ASP N N 15 119.355 0.3 A 134 GLY H H 1 8.535 0.020 A 134 GLY HAx H 1 3.810 0.020 A 134 GLY HAy H 1 4.082 0.020 A 134 GLY C C 13 174.167 0.3 A 134 GLY CA C 13 45.700 0.3 A 134 GLY N N 15 109.445 0.3 A 135 GLN H H 1 8.313 0.020 A 135 GLN HA H 1 4.707 0.020 A 135 GLN HBx H 1 1.911 0.020 A 135 GLN HBy H 1 2.083 0.020 A 135 GLN HGy H 1 2.266 0.020 A 135 GLN HGx H 1 1.944 0.020 A 135 GLN C C 13 175.215 0.3 A 135 GLN CA C 13 54.901 0.3 A 135 GLN CB C 13 30.539 0.3 A 135 GLN CG C 13 34.157 0.3 A 135 GLN N N 15 119.404 0.3 A 136 VAL H H 1 9.390 0.020 A 136 VAL HA H 1 4.522 0.020 A 136 VAL HB H 1 1.902 0.020 A 136 VAL HG1% H 1 0.826 0.020 A 136 VAL HG2% H 1 0.826 0.020 A 136 VAL C C 13 174.628 0.3 A 136 VAL CA C 13 60.585 0.3 A 136 VAL CB C 13 34.923 0.3 A 136 VAL CG1 C 13 21.696 0.3 A 136 VAL CG2 C 13 20.991 0.3 A 136 VAL N N 15 119.311 0.3 A 137 ASN H H 1 8.796 0.020 A 137 ASN HA H 1 4.449 0.020 A 137 ASN HBy H 1 2.887 0.020 A 137 ASN HBx H 1 2.345 0.020 A 137 ASN C C 13 176.161 0.3 A 137 ASN CA C 13 52.089 0.3 A 137 ASN CB C 13 38.233 0.3 A 137 ASN N N 15 125.023 0.3 A 138 TYR H H 1 7.544 0.020 A 138 TYR HA H 1 4.206 0.020 A 138 TYR HBx H 1 2.148 0.020 A 138 TYR HBy H 1 2.515 0.020 A 138 TYR HD1 H 1 6.644 0.020 A 138 TYR HD2 H 1 6.644 0.020 A 138 TYR HE1 H 1 6.700 0.020 A 138 TYR HE2 H 1 6.700 0.020 A 138 TYR C C 13 176.952 0.3 A 138 TYR CA C 13 59.033 0.3 A 138 TYR CB C 13 37.389 0.3 A 138 TYR CD1 C 13 133.588 0.3 A 138 TYR CE1 C 13 117.515 0.3 A 138 TYR N N 15 122.413 0.3 A 139 GLU H H 1 8.174 0.020 A 139 GLU HA H 1 4.024 0.020 A 139 GLU HB2 H 1 1.926 0.020 A 139 GLU HB3 H 1 1.926 0.020 A 139 GLU HG2 H 1 2.308 0.020 A 139 GLU HG3 H 1 2.308 0.020 A 139 GLU C C 13 179.050 0.3 A 139 GLU CA C 13 59.377 0.3 A 139 GLU CB C 13 28.434 0.3 A 139 GLU CG C 13 35.003 0.3 A 139 GLU N N 15 125.813 0.3 A 140 GLU H H 1 7.854 0.020 A 140 GLU HA H 1 3.960 0.020 A 140 GLU HBy H 1 1.883 0.020 A 140 GLU HBx H 1 1.674 0.020 A 140 GLU HGy H 1 2.372 0.020 A 140 GLU HGx H 1 2.282 0.020 A 140 GLU C C 13 178.973 0.3 A 140 GLU CA C 13 58.830 0.3 A 140 GLU CB C 13 29.171 0.3 A 140 GLU CG C 13 35.379 0.3 A 140 GLU N N 15 116.920 0.3 A 141 PHE H H 1 7.566 0.020 A 141 PHE HA H 1 4.162 0.020 A 141 PHE HBy H 1 3.139 0.020 A 141 PHE HBx H 1 2.979 0.020 A 141 PHE HD1 H 1 7.127 0.020 A 141 PHE HD2 H 1 7.127 0.020 A 141 PHE HE1 H 1 7.101 0.020 A 141 PHE HE2 H 1 7.101 0.020 A 141 PHE HZ H 1 7.294 0.020 A 141 PHE C C 13 177.436 0.3 A 141 PHE CA C 13 61.310 0.3 A 141 PHE CB C 13 39.131 0.3 A 141 PHE CD1 C 13 131.068 0.3 A 141 PHE CE1 C 13 129.935 0.3 A 141 PHE CZ C 13 129.463 0.3 A 141 PHE N N 15 119.014 0.3 A 142 VAL H H 1 8.141 0.020 A 142 VAL HA H 1 3.532 0.020 A 142 VAL HB H 1 2.346 0.020 A 142 VAL HG1% H 1 1.145 0.020 A 142 VAL HG2% H 1 0.937 0.020 A 142 VAL C C 13 178.875 0.3 A 142 VAL CA C 13 67.094 0.3 A 142 VAL CB C 13 31.552 0.3 A 142 VAL CG1 C 13 23.335 0.3 A 142 VAL CG2 C 13 21.618 0.3 A 142 VAL N N 15 119.992 0.3 A 143 GLN H H 1 7.871 0.020 A 143 GLN HA H 1 3.913 0.020 A 143 GLN HB2 H 1 2.093 0.020 A 143 GLN HB3 H 1 2.093 0.020 A 143 GLN HG2 H 1 2.473 0.020 A 143 GLN HG3 H 1 2.473 0.020 A 143 GLN C C 13 172.885 0.3 A 143 GLN CA C 13 58.808 0.3 A 143 GLN CB C 13 28.332 0.3 A 143 GLN CG C 13 33.631 0.3 A 143 GLN N N 15 117.140 0.3 A 144 MET H H 1 7.765 0.020 A 144 MET HA H 1 4.098 0.020 A 144 MET HBy H 1 2.128 0.020 A 144 MET HBx H 1 2.046 0.020 A 144 MET HE% H 1 1.920 0.020 A 144 MET HG2 H 1 2.484 0.020 A 144 MET HG3 H 1 2.484 0.020 A 144 MET C C 13 178.354 0.3 A 144 MET CA C 13 58.502 0.3 A 144 MET CB C 13 33.114 0.3 A 144 MET CE C 13 18.250 0.3 A 144 MET CG C 13 31.847 0.3 A 144 MET N N 15 117.938 0.3 A 145 MET H H 1 7.987 0.020 A 145 MET HA H 1 4.208 0.020 A 145 MET HB2 H 1 2.148 0.020 A 145 MET HB3 H 1 2.148 0.020 A 145 MET HE% H 1 2.131 0.020 A 145 MET HGy H 1 2.660 0.020 A 145 MET HGx H 1 2.554 0.020 A 145 MET C C 13 177.556 0.3 A 145 MET CA C 13 57.237 0.3 A 145 MET CB C 13 33.263 0.3 A 145 MET CE C 13 17.746 0.3 A 145 MET CG C 13 32.654 0.3 A 145 MET N N 15 116.110 0.3 A 146 THR H H 1 7.716 0.020 A 146 THR HA H 1 4.270 0.020 A 146 THR HB H 1 4.270 0.020 A 146 THR HG2% H 1 1.231 0.020 A 146 THR C C 13 174.536 0.3 A 146 THR CA C 13 62.549 0.3 A 146 THR CB C 13 69.577 0.3 A 146 THR N N 15 110.489 0.3 A 147 ALA H H 1 7.609 0.020 A 147 ALA HA H 1 4.334 0.020 A 147 ALA HB% H 1 1.402 0.020 A 147 ALA C C 13 176.940 0.3 A 147 ALA CA C 13 52.729 0.3 A 147 ALA CB C 13 18.857 0.3 A 147 ALA N N 15 125.528 0.3 A 148 LYS H H 1 7.701 0.020 A 148 LYS HA H 1 4.120 0.020 A 148 LYS HBy H 1 1.855 0.020 A 148 LYS HBx H 1 1.734 0.020 A 148 LYS HE2 H 1 2.964 0.020 A 148 LYS HE3 H 1 2.964 0.020 A 148 LYS HG2 H 1 1.410 0.020 A 148 LYS HG3 H 1 1.410 0.020 A 148 LYS C C 13 181.690 0.3 A 148 LYS CA C 13 57.396 0.3 A 148 LYS CB C 13 33.465 0.3 A 148 LYS CD C 13 28.866 0.3 A 148 LYS CE C 13 42.034 0.3 A 148 LYS CG C 13 24.677 0.3 A 148 LYS N N 15 125.457 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 16 PHE HE% A 65 PHE HD% 1.0 0.0 6.76 2 2 A 65 PHE HD% A 68 PHE HD% 1.0 0.0 6.76 3 3 A 16 PHE HD% A 65 PHE HB2 1.0 0.0 5.51 4 3 A 16 PHE HD% A 65 PHE HBy 1.0 0.0 5.51 5 4 A 68 PHE HD% A 16 PHE HD% 1.0 0.0 6.76 6 5 A 16 PHE HD% A 65 PHE HE% 1.0 0.0 6.76 7 6 A 89 PHE HD% A 138 TYR HD% 1.0 0.0 6.76 8 7 A 99 TYR HA A 99 TYR HD% 1.0 0.0 4.63 9 8 A 99 TYR HD% A 135 GLN HBy 1.0 0.0 4.63 10 9 A 99 TYR HD% A 137 ASN HA 1.0 0.0 4.63 11 10 A 99 TYR HD% A 135 GLN HBx 1.0 0.0 4.63 12 11 A 92 PHE HD% A 107 HIS HD2 1.0 0.0 4.63 13 12 A 92 PHE HD% A 89 PHE HE% 1.0 0.0 6.76 14 13 A 138 TYR HE% A 142 VAL HG1% 1.0 0.0 5.65 15 14 A 9 ILE HG2% A 65 PHE HZ 1.0 0.0 3.52 16 15 A 138 TYR HD% A 100 ILE HD1% 1.0 0.0 5.65 17 16 A 20 ASP H A 21 LYS H 1.0 0.0 4.79 18 17 A 11 GLU HA A 14 GLU H 1.0 0.0 3.62 19 18 A 61 GLY H A 62 THR H 1.0 0.0 3.00 20 19 A 62 THR H A 60 ASN HB2 1.0 0.0 4.56 21 19 A 62 THR H A 60 ASN HB3 1.0 0.0 4.56 22 20 A 53 ILE HB A 54 GLU H 1.0 0.0 3.27 23 21 A 54 GLU H A 51 MET HA 1.0 0.0 4.67 24 22 A 110 THR HB A 111 ASN H 1.0 0.0 5.10 25 23 A 107 HIS H A 106 ARG HB2 1.0 0.0 3.88 26 23 A 106 ARG HB3 A 107 HIS H 1.0 0.0 3.88 27 24 A 42 ASN H A 41 GLN HB2 1.0 0.0 4.28 28 24 A 41 GLN HB3 A 42 ASN H 1.0 0.0 4.28 29 25 A 42 ASN H A 41 GLN HA 1.0 0.0 2.72 30 26 A 100 ILE H A 136 VAL H 1.0 0.0 3.55 31 27 A 99 TYR HA A 100 ILE H 1.0 0.0 3.03 32 28 A 85 ILE H A 84 GLU HB2 1.0 0.0 4.09 33 28 A 84 GLU HB3 A 85 ILE H 1.0 0.0 4.09 34 29 A 85 ILE H A 86 ARG H 1.0 0.0 3.03 35 30 A 136 VAL H A 135 GLN HA 1.0 0.0 3.43 36 31 A 32 LEU H A 33 GLY H 1.0 0.0 4.55 37 32 A 33 GLY H A 32 LEU HB2 1.0 0.0 4.81 38 32 A 33 GLY H A 32 LEU HB3 1.0 0.0 4.81 39 33 A 33 GLY H A 34 THR H 1.0 0.0 3.89 40 34 A 23 GLY H A 24 ASP H 1.0 0.0 3.06 41 35 A 24 ASP H A 25 GLY H 1.0 0.0 2.69 42 36 A 81 SER H A 80 ASP HB2 1.0 0.0 5.71 43 36 A 80 ASP HB3 A 81 SER H 1.0 0.0 5.71 44 37 A 73 ALA H A 74 ARG H 1.0 0.0 3.21 45 38 A 67 GLU HA A 70 THR H 1.0 0.0 4.76 46 39 A 70 THR H A 69 LEU H 1.0 0.0 3.43 47 40 A 23 GLY H A 22 ASP H 1.0 0.0 2.87 48 41 A 22 ASP H A 21 LYS HB2 1.0 0.0 4.87 49 41 A 22 ASP H A 21 LYS HB3 1.0 0.0 4.87 50 42 A 17 SER H A 18 LEU H 1.0 0.0 3.00 51 43 A 18 LEU H A 17 SER HB2 1.0 0.0 4.56 52 43 A 18 LEU H A 17 SER HB3 1.0 0.0 4.56 53 44 A 18 LEU H A 15 ALA HA 1.0 0.0 3.62 54 45 A 7 GLU HA A 10 ALA H 1.0 0.0 3.74 55 46 A 117 THR H A 116 LEU HB2 1.0 0.0 6.26 56 46 A 116 LEU HB3 A 117 THR H 1.0 0.0 6.26 57 47 A 49 GLN H A 50 ASP H 1.0 0.0 3.34 58 48 A 106 ARG HA A 109 MET H 1.0 0.0 5.60 59 49 A 109 MET H A 108 VAL HB 1.0 0.0 3.55 60 50 A 109 MET H A 105 LEU HA 1.0 0.0 5.60 61 51 A 46 ALA H A 45 GLU HB2 1.0 0.0 3.88 62 51 A 45 GLU HB3 A 46 ALA H 1.0 0.0 3.88 63 52 A 46 ALA H A 45 GLU H 1.0 0.0 3.03 64 53 A 46 ALA H A 47 GLU H 1.0 0.0 3.74 65 54 A 103 ALA H A 104 GLU H 1.0 0.0 3.21 66 55 A 103 ALA H A 102 ALA H 1.0 0.0 3.00 67 56 A 40 GLY H A 39 LEU HB2 1.0 0.0 4.25 68 56 A 39 LEU HB3 A 40 GLY H 1.0 0.0 4.25 69 57 A 40 GLY H A 37 ARG HA 1.0 0.0 4.76 70 58 A 104 GLU H A 106 ARG HB2 1.0 0.0 6.23 71 58 A 106 ARG HB3 A 104 GLU H 1.0 0.0 6.23 72 59 A 138 TYR H A 139 GLU H 1.0 0.0 2.96 73 60 A 137 ASN HA A 138 TYR H 1.0 0.0 3.03 74 61 A 141 PHE H A 142 VAL H 1.0 0.0 2.90 75 62 A 141 PHE H A 140 GLU H 1.0 0.0 3.18 76 63 A 31 GLU H A 30 LYS HB2 1.0 0.0 4.50 77 63 A 30 LYS HB3 A 31 GLU H 1.0 0.0 4.50 78 64 A 32 LEU H A 31 GLU H 1.0 0.0 3.09 79 65 A 31 GLU H A 28 THR HB 1.0 0.0 3.83 80 66 A 29 THR H A 62 THR HA 1.0 0.0 3.09 81 67 A 28 THR HB A 29 THR H 1.0 0.0 3.03 82 68 A 29 THR H A 28 THR HA 1.0 0.0 3.00 83 69 A 78 ASP HA A 79 THR H 1.0 0.0 3.12 84 70 A 32 LEU HA A 35 VAL H 1.0 0.0 3.74 85 71 A 35 VAL H A 34 THR HB 1.0 0.0 2.96 86 72 A 65 PHE HA A 68 PHE H 1.0 0.0 4.82 87 73 A 68 PHE H A 67 GLU H 1.0 0.0 2.93 88 74 A 68 PHE H A 67 GLU HBx 1.0 0.0 4.27 89 75 A 68 PHE H A 67 GLU HBy 1.0 0.0 4.27 90 76 A 20 ASP H A 19 PHE H 1.0 0.0 2.50 91 77 A 19 PHE H A 18 LEU HBy 1.0 0.0 3.74 92 78 A 18 LEU H A 19 PHE H 1.0 0.0 2.96 93 79 A 19 PHE H A 18 LEU HBx 1.0 0.0 3.74 94 80 A 8 GLN HA A 11 GLU H 1.0 0.0 3.62 95 81 A 61 GLY H A 60 ASN HB2 1.0 0.0 5.12 96 81 A 61 GLY H A 60 ASN HB3 1.0 0.0 5.12 97 82 A 119 GLU HA A 122 ASP H 1.0 0.0 3.93 98 83 A 122 ASP H A 121 VAL HB 1.0 0.0 5.60 99 84 A 119 GLU H A 118 ASP HBx 1.0 0.0 4.39 100 85 A 119 GLU H A 120 GLU H 1.0 0.0 3.09 101 86 A 119 GLU H A 118 ASP HBy 1.0 0.0 4.39 102 87 A 55 VAL HB A 56 ASP H 1.0 0.0 3.40 103 88 A 50 ASP H A 49 GLN HB2 1.0 0.0 4.00 104 88 A 50 ASP H A 49 GLN HB3 1.0 0.0 4.00 105 89 A 110 THR H A 109 MET HBx 1.0 0.0 3.65 106 90 A 110 THR H A 109 MET HBy 1.0 0.0 3.65 107 91 A 110 THR H A 107 HIS HA 1.0 0.0 4.52 108 92 A 98 GLY H A 99 TYR H 1.0 0.0 3.43 109 93 A 96 GLY H A 97 ASN H 1.0 0.0 2.96 110 94 A 96 GLY H A 95 ASP HA 1.0 0.0 3.40 111 95 A 96 GLY H A 95 ASP HB2 1.0 0.0 4.47 112 95 A 96 GLY H A 95 ASP HB3 1.0 0.0 4.47 113 96 A 147 ALA HA A 148 LYS H 1.0 0.0 3.37 114 97 A 89 PHE H A 90 ARG H 1.0 0.0 3.40 115 98 A 27 ILE H A 64 ASP HA 1.0 0.0 3.71 116 99 A 27 ILE H A 26 THR HB 1.0 0.0 3.43 117 100 A 27 ILE H A 26 THR HA 1.0 0.0 3.62 118 101 A 27 ILE H A 63 ILE H 1.0 0.0 4.55 119 102 A 5 THR H A 8 GLN H 1.0 0.0 5.14 120 103 A 5 THR H A 8 GLN HB2 1.0 0.0 4.06 121 103 A 5 THR H A 8 GLN HB3 1.0 0.0 4.06 122 104 A 21 LYS H A 22 ASP H 1.0 0.0 2.90 123 105 A 21 LYS H A 20 ASP HA 1.0 0.0 2.65 124 106 A 17 SER H A 17 SER HB2 1.0 0.0 4.31 125 106 A 17 SER H A 17 SER HB3 1.0 0.0 4.31 126 107 A 6 GLU HA A 9 ILE H 1.0 0.0 3.62 127 108 A 9 ILE H A 8 GLN HB2 1.0 0.0 4.93 128 108 A 8 GLN HB3 A 9 ILE H 1.0 0.0 4.93 129 109 A 129 ASP H A 129 ASP HBx 1.0 0.0 4.24 130 110 A 129 ASP H A 129 ASP HBy 1.0 0.0 4.24 131 111 A 121 VAL HA A 124 MET H 1.0 0.0 5.01 132 112 A 120 GLU H A 121 VAL H 1.0 0.0 3.18 133 113 A 58 ASP H A 58 ASP HBy 1.0 0.0 2.87 134 114 A 58 ASP H A 58 ASP HBx 1.0 0.0 2.96 135 115 A 58 ASP H A 59 GLY H 1.0 0.0 2.87 136 116 A 107 HIS H A 108 VAL H 1.0 0.0 3.77 137 117 A 102 ALA H A 101 SER HA 1.0 0.0 2.84 138 118 A 135 GLN HA A 102 ALA H 1.0 0.0 3.12 139 119 A 102 ALA H A 101 SER HB2 1.0 0.0 4.65 140 119 A 102 ALA H A 101 SER HB3 1.0 0.0 4.65 141 120 A 40 GLY H A 39 LEU H 1.0 0.0 3.40 142 121 A 39 LEU H A 38 SER HB2 1.0 0.0 4.53 143 121 A 39 LEU H A 38 SER HB3 1.0 0.0 4.53 144 122 A 39 LEU H A 38 SER H 1.0 0.0 3.15 145 123 A 98 GLY H A 97 ASN H 1.0 0.0 3.31 146 124 A 92 PHE HA A 93 ASP H 1.0 0.0 3.55 147 125 A 93 ASP H A 92 PHE H 1.0 0.0 2.96 148 126 A 93 ASP H A 92 PHE HB2 1.0 0.0 5.12 149 126 A 93 ASP H A 92 PHE HB3 1.0 0.0 5.12 150 127 A 93 ASP H A 94 LYS H 1.0 0.0 5.60 151 128 A 146 THR H A 145 MET HB2 1.0 0.0 4.50 152 128 A 145 MET HB3 A 146 THR H 1.0 0.0 4.50 153 129 A 86 ARG H A 85 ILE HB 1.0 0.0 3.27 154 130 A 86 ARG H A 83 GLU HA 1.0 0.0 4.76 155 131 A 86 ARG H A 82 GLU HA 1.0 0.0 5.51 156 132 A 131 ASP H A 131 ASP HBx 1.0 0.0 3.99 157 133 A 131 ASP H A 131 ASP HBy 1.0 0.0 3.99 158 134 A 131 ASP H A 130 ILE HB 1.0 0.0 4.30 159 135 A 31 GLU H A 28 THR H 1.0 0.0 3.93 160 136 A 28 THR H A 27 ILE HA 1.0 0.0 2.87 161 137 A 28 THR H A 31 GLU HBy 1.0 0.0 3.46 162 138 A 28 THR H A 31 GLU HBx 1.0 0.0 3.46 163 139 A 28 THR H A 27 ILE HB 1.0 0.0 2.96 164 140 A 77 LYS H A 78 ASP H 1.0 0.0 5.07 165 141 A 78 ASP H A 77 LYS HB2 1.0 0.0 5.46 166 141 A 78 ASP H A 77 LYS HB3 1.0 0.0 5.46 167 142 A 23 GLY H A 22 ASP HBy 1.0 0.0 3.71 168 143 A 23 GLY H A 22 ASP HBx 1.0 0.0 3.71 169 144 A 17 SER H A 16 PHE H 1.0 0.0 2.96 170 145 A 16 PHE H A 15 ALA H 1.0 0.0 2.96 171 146 A 125 ILE H A 126 ARG H 1.0 0.0 3.65 172 147 A 63 ILE HA A 64 ASP H 1.0 0.0 2.53 173 148 A 64 ASP H A 63 ILE HB 1.0 0.0 5.01 174 149 A 61 GLY H A 60 ASN H 1.0 0.0 3.15 175 150 A 59 GLY H A 60 ASN H 1.0 0.0 3.03 176 151 A 56 ASP H A 55 VAL H 1.0 0.0 2.87 177 152 A 55 VAL H A 54 GLU HB2 1.0 0.0 5.02 178 152 A 55 VAL H A 54 GLU HB3 1.0 0.0 5.02 179 153 A 55 VAL HB A 55 VAL H 1.0 0.0 3.24 180 154 A 55 VAL H A 52 ILE HA 1.0 0.0 5.38 181 155 A 55 VAL H A 54 GLU HA 1.0 0.0 3.58 182 156 A 54 GLU H A 53 ILE H 1.0 0.0 3.37 183 157 A 53 ILE H A 50 ASP HA 1.0 0.0 4.67 184 158 A 96 GLY H A 95 ASP H 1.0 0.0 2.50 185 159 A 95 ASP H A 94 LYS HB2 1.0 0.0 4.56 186 159 A 95 ASP H A 94 LYS HB3 1.0 0.0 4.56 187 160 A 92 PHE H A 91 VAL H 1.0 0.0 2.72 188 161 A 146 THR H A 147 ALA H 1.0 0.0 2.56 189 162 A 65 PHE H A 64 ASP HBx 1.0 0.0 3.12 190 163 A 64 ASP HA A 65 PHE H 1.0 0.0 3.55 191 164 A 65 PHE H A 64 ASP HBy 1.0 0.0 3.12 192 165 A 26 THR HA A 65 PHE H 1.0 0.0 3.58 193 166 A 24 ASP H A 26 THR H 1.0 0.0 4.27 194 167 A 75 LYS H A 74 ARG HB2 1.0 0.0 4.09 195 167 A 74 ARG HB3 A 75 LYS H 1.0 0.0 4.09 196 168 A 7 GLU H A 6 GLU HB2 1.0 0.0 3.91 197 168 A 6 GLU HB3 A 7 GLU H 1.0 0.0 3.91 198 169 A 8 GLN H A 7 GLU H 1.0 0.0 2.96 199 170 A 7 GLU H A 6 GLU H 1.0 0.0 3.00 200 171 A 7 GLU H A 5 THR HB 1.0 0.0 3.31 201 172 A 128 ALA H A 127 GLU HBx 1.0 0.0 3.65 202 173 A 128 ALA H A 127 GLU HBy 1.0 0.0 3.65 203 174 A 128 ALA H A 125 ILE HA 1.0 0.0 5.60 204 175 A 123 GLU H A 122 ASP HBx 1.0 0.0 3.55 205 176 A 123 GLU H A 122 ASP HBy 1.0 0.0 3.55 206 177 A 57 ALA H A 56 ASP HBx 1.0 0.0 4.82 207 178 A 57 ALA H A 56 ASP HBy 1.0 0.0 4.82 208 179 A 51 MET H A 52 ILE HB 1.0 0.0 5.44 209 180 A 45 GLU H A 44 THR HA 1.0 0.0 2.72 210 181 A 100 ILE HA A 101 SER H 1.0 0.0 3.15 211 182 A 142 VAL HA A 145 MET H 1.0 0.0 3.99 212 183 A 146 THR H A 145 MET H 1.0 0.0 3.18 213 184 A 130 ILE H A 129 ASP HBx 1.0 0.0 5.35 214 185 A 130 ILE H A 129 ASP HBy 1.0 0.0 5.35 215 186 A 130 ILE HB A 130 ILE H 1.0 0.0 3.96 216 187 A 35 VAL HB A 36 MET H 1.0 0.0 2.96 217 188 A 35 VAL H A 36 MET H 1.0 0.0 3.21 218 189 A 36 MET H A 33 GLY HAy 1.0 0.0 5.27 219 189 A 36 MET H A 33 GLY HAx 1.0 0.0 5.27 220 190 A 8 GLN HA A 12 PHE H 1.0 0.0 4.76 221 191 A 11 GLU H A 12 PHE H 1.0 0.0 2.96 222 192 A 12 PHE H A 9 ILE HA 1.0 0.0 3.62 223 193 A 12 PHE H A 11 GLU HB2 1.0 0.0 3.81 224 193 A 12 PHE H A 11 GLU HB3 1.0 0.0 3.81 225 194 A 77 LYS H A 76 MET HBy 1.0 0.0 4.08 226 195 A 77 LYS H A 76 MET HBx 1.0 0.0 4.08 227 196 A 8 GLN H A 7 GLU HB2 1.0 0.0 3.91 228 196 A 8 GLN H A 7 GLU HB3 1.0 0.0 3.91 229 197 A 14 GLU H A 15 ALA H 1.0 0.0 2.96 230 198 A 15 ALA H A 14 GLU HB2 1.0 0.0 4.62 231 198 A 15 ALA H A 14 GLU HB3 1.0 0.0 4.62 232 199 A 125 ILE H A 122 ASP HA 1.0 0.0 5.01 233 200 A 125 ILE H A 126 ARG HB2 1.0 0.0 5.58 234 200 A 125 ILE H A 126 ARG HB3 1.0 0.0 5.58 235 201 A 62 THR HA A 63 ILE H 1.0 0.0 2.69 236 202 A 28 THR HA A 63 ILE H 1.0 0.0 3.34 237 203 A 63 ILE H A 62 THR HB 1.0 0.0 3.03 238 204 A 58 ASP HBy A 59 GLY H 1.0 0.0 3.89 239 205 A 58 ASP HBx A 59 GLY H 1.0 0.0 3.55 240 206 A 49 GLN HA A 52 ILE H 1.0 0.0 5.17 241 207 A 52 ILE H A 51 MET HBy 1.0 0.0 3.68 242 208 A 52 ILE H A 51 MET HBx 1.0 0.0 3.68 243 209 A 51 MET HA A 52 ILE H 1.0 0.0 3.62 244 210 A 94 LYS H A 93 ASP HA 1.0 0.0 2.65 245 211 A 90 ARG H A 91 VAL H 1.0 0.0 3.49 246 212 A 87 GLU H A 88 ALA H 1.0 0.0 4.98 247 213 A 83 GLU HA A 87 GLU H 1.0 0.0 5.23 248 214 A 136 VAL HB A 137 ASN H 1.0 0.0 3.24 249 215 A 131 ASP HA A 132 GLY H 1.0 0.0 3.65 250 216 A 34 THR HA A 37 ARG H 1.0 0.0 4.24 251 217 A 34 THR H A 31 GLU HA 1.0 0.0 4.39 252 218 A 34 THR H A 35 VAL H 1.0 0.0 3.03 253 219 A 25 GLY H A 26 THR H 1.0 0.0 3.46 254 220 A 25 GLY H A 24 ASP HA 1.0 0.0 3.65 255 221 A 74 ARG H A 71 MET HA 1.0 0.0 4.89 256 222 A 6 GLU H A 5 THR HA 1.0 0.0 2.72 257 223 A 6 GLU H A 5 THR HB 1.0 0.0 2.78 258 224 A 3 GLN HA A 4 LEU H 1.0 0.0 3.62 259 225 A 4 LEU H A 3 GLN HBy 1.0 0.0 4.98 260 226 A 4 LEU H A 3 GLN HBx 1.0 0.0 4.98 261 227 A 14 GLU H A 13 LYS H 1.0 0.0 2.96 262 228 A 13 LYS H A 10 ALA HA 1.0 0.0 4.70 263 229 A 13 LYS H A 12 PHE HBy 1.0 0.0 3.71 264 230 A 9 ILE HA A 13 LYS H 1.0 0.0 5.38 265 231 A 12 PHE H A 13 LYS H 1.0 0.0 3.00 266 232 A 13 LYS H A 12 PHE HBx 1.0 0.0 3.71 267 233 A 118 ASP H A 118 ASP HBx 1.0 0.0 4.08 268 234 A 118 ASP H A 117 THR HA 1.0 0.0 3.58 269 235 A 118 ASP H A 117 THR HB 1.0 0.0 4.05 270 236 A 118 ASP H A 118 ASP HBy 1.0 0.0 4.08 271 237 A 112 LEU H A 113 GLY H 1.0 0.0 3.96 272 238 A 113 GLY H A 112 LEU HBx 1.0 0.0 4.58 273 239 A 113 GLY H A 112 LEU HBy 1.0 0.0 4.58 274 240 A 44 THR H A 44 THR HB 1.0 0.0 3.89 275 241 A 41 GLN H A 39 LEU HB2 1.0 0.0 4.28 276 241 A 39 LEU HB3 A 41 GLN H 1.0 0.0 4.28 277 242 A 37 ARG HA A 41 GLN H 1.0 0.0 3.96 278 243 A 38 SER H A 37 ARG H 1.0 0.0 3.09 279 244 A 38 SER H A 35 VAL HA 1.0 0.0 3.80 280 245 A 38 SER H A 37 ARG HB2 1.0 0.0 4.77 281 245 A 38 SER H A 37 ARG HB3 1.0 0.0 4.77 282 246 A 29 THR HA A 30 LYS H 1.0 0.0 3.62 283 247 A 29 THR H A 30 LYS H 1.0 0.0 3.06 284 248 A 30 LYS H A 29 THR HB 1.0 0.0 3.99 285 249 A 28 THR HB A 30 LYS H 1.0 0.0 3.34 286 250 A 69 LEU HA A 72 MET H 1.0 0.0 3.86 287 251 A 69 LEU H A 66 PRO HA 1.0 0.0 5.20 288 252 A 69 LEU H A 68 PHE HB2 1.0 0.0 4.31 289 252 A 69 LEU H A 68 PHE HB3 1.0 0.0 4.31 290 253 A 20 ASP H A 17 SER HA 1.0 0.0 3.62 291 254 A 101 SER H A 100 ILE HB 1.0 0.0 3.71 292 255 A 10 ALA H A 9 ILE HG12 1.0 0.0 6.48 293 255 A 10 ALA H A 9 ILE HG13 1.0 0.0 6.48 294 256 A 109 MET H A 109 MET HG2 1.0 0.0 4.99 295 256 A 109 MET H A 109 MET HG3 1.0 0.0 4.99 296 257 A 76 MET H A 75 LYS HG2 1.0 0.0 5.71 297 257 A 75 LYS HG3 A 76 MET H 1.0 0.0 5.71 298 258 A 27 ILE H A 27 ILE HG1x 1.0 0.0 4.67 299 259 A 27 ILE H A 27 ILE HG1y 1.0 0.0 4.67 300 260 A 27 ILE H A 63 ILE HB 1.0 0.0 4.67 301 261 A 27 ILE H A 16 PHE HZ 1.0 0.0 3.89 302 262 A 5 THR H A 8 GLN HG2 1.0 0.0 5.43 303 262 A 5 THR H A 8 GLN HG3 1.0 0.0 5.43 304 263 A 5 THR H A 4 LEU HG 1.0 0.0 4.52 305 264 A 21 LYS H A 21 LYS HG2 1.0 0.0 6.48 306 264 A 21 LYS H A 21 LYS HG3 1.0 0.0 6.48 307 265 A 16 PHE HD% A 17 SER H 1.0 0.0 7.73 308 266 A 9 ILE H A 8 GLN HG2 1.0 0.0 5.21 309 266 A 9 ILE H A 8 GLN HG3 1.0 0.0 5.21 310 267 A 89 PHE HE% A 108 VAL H 1.0 0.0 6.86 311 268 A 16 PHE HD% A 16 PHE H 1.0 0.0 7.67 312 269 A 65 PHE HE% A 16 PHE H 1.0 0.0 7.73 313 270 A 26 THR HB A 64 ASP H 1.0 0.0 5.60 314 271 A 55 VAL H A 54 GLU HG2 1.0 0.0 6.17 315 271 A 55 VAL H A 54 GLU HG3 1.0 0.0 6.17 316 272 A 53 ILE H A 49 GLN HG2 1.0 0.0 6.48 317 272 A 53 ILE H A 49 GLN HG3 1.0 0.0 6.48 318 273 A 92 PHE HD% A 91 VAL H 1.0 0.0 4.81 319 274 A 138 TYR HE% A 139 GLU H 1.0 0.0 7.52 320 275 A 16 PHE HE% A 65 PHE H 1.0 0.0 7.73 321 276 A 16 PHE HD% A 65 PHE H 1.0 0.0 7.73 322 277 A 65 PHE H A 16 PHE HZ 1.0 0.0 5.60 323 278 A 8 GLN H A 7 GLU HG2 1.0 0.0 4.90 324 278 A 8 GLN H A 7 GLU HG3 1.0 0.0 4.90 325 279 A 26 THR HB A 63 ILE H 1.0 0.0 4.76 326 280 A 115 LYS H A 114 GLU HG2 1.0 0.0 5.83 327 280 A 114 GLU HG3 A 115 LYS H 1.0 0.0 5.83 328 281 A 52 ILE H A 51 MET HG2 1.0 0.0 6.30 329 281 A 52 ILE H A 51 MET HG3 1.0 0.0 6.30 330 282 A 99 TYR HD% A 137 ASN H 1.0 0.0 6.61 331 283 A 6 GLU H A 6 GLU HG2 1.0 0.0 6.14 332 283 A 6 GLU H A 6 GLU HG3 1.0 0.0 6.14 333 284 A 6 GLU H A 7 GLU HG2 1.0 0.0 4.59 334 284 A 6 GLU H A 7 GLU HG3 1.0 0.0 4.59 335 285 A 4 LEU H A 3 GLN HG2 1.0 0.0 6.48 336 285 A 4 LEU H A 3 GLN HG3 1.0 0.0 6.48 337 286 A 4 LEU H A 4 LEU HG 1.0 0.0 5.35 338 287 A 65 PHE HZ A 13 LYS H 1.0 0.0 4.17 339 288 A 65 PHE HE% A 13 LYS H 1.0 0.0 7.17 340 289 A 72 MET H A 72 MET HGy 1.0 0.0 4.08 341 290 A 72 MET H A 72 MET HGx 1.0 0.0 4.08 342 291 A 68 PHE HD% A 69 LEU H 1.0 0.0 7.02 343 292 A 20 ASP H A 27 ILE HG2% 1.0 0.0 5.53 344 293 A 62 THR H A 62 THR HG2% 1.0 0.0 4.01 345 294 A 54 GLU H A 55 VAL HG1% 1.0 0.0 6.46 346 294 A 54 GLU H A 55 VAL HG2% 1.0 0.0 6.46 347 295 A 33 GLY H A 48 LEU HD1% 1.0 0.0 5.93 348 295 A 33 GLY H A 48 LEU HD2% 1.0 0.0 5.93 349 296 A 9 ILE HG2% A 10 ALA H 1.0 0.0 5.41 350 297 A 10 ALA H A 9 ILE HD1% 1.0 0.0 6.62 351 298 A 117 THR H A 117 THR HG2% 1.0 0.0 6.46 352 299 A 49 GLN H A 52 ILE HD1% 1.0 0.0 5.54 353 300 A 103 ALA H A 102 ALA HB% 1.0 0.0 4.01 354 301 A 103 ALA H A 103 ALA HB% 1.0 0.0 3.89 355 302 A 104 GLU H A 103 ALA HB% 1.0 0.0 4.29 356 303 A 106 ARG H A 105 LEU HD1% 1.0 0.0 6.62 357 304 A 106 ARG H A 105 LEU HD2% 1.0 0.0 6.62 358 305 A 29 THR H A 29 THR HG2% 1.0 0.0 4.23 359 306 A 29 THR H A 28 THR HG2% 1.0 0.0 4.45 360 307 A 79 THR H A 79 THR HG2% 1.0 0.0 6.31 361 308 A 35 VAL H A 34 THR HG2% 1.0 0.0 4.98 362 309 A 68 PHE H A 63 ILE HG2% 1.0 0.0 5.78 363 310 A 19 PHE H A 27 ILE HG2% 1.0 0.0 5.16 364 311 A 11 GLU H A 10 ALA HB% 1.0 0.0 4.20 365 312 A 56 ASP H A 52 ILE HG2% 1.0 0.0 5.13 366 313 A 56 ASP H A 55 VAL HG1% 1.0 0.0 6.77 367 313 A 56 ASP H A 55 VAL HG2% 1.0 0.0 6.77 368 314 A 110 THR H A 110 THR HG2% 1.0 0.0 6.62 369 315 A 89 PHE H A 88 ALA HB% 1.0 0.0 4.94 370 316 A 32 LEU H A 27 ILE HD1% 1.0 0.0 5.97 371 317 A 27 ILE H A 27 ILE HG2% 1.0 0.0 6.62 372 318 A 5 THR H A 5 THR HG2% 1.0 0.0 3.52 373 319 A 129 ASP H A 128 ALA HB% 1.0 0.0 6.62 374 320 A 58 ASP H A 57 ALA HB% 1.0 0.0 4.26 375 321 A 86 ARG H A 85 ILE HG2% 1.0 0.0 4.70 376 322 A 131 ASP H A 130 ILE HG2% 1.0 0.0 6.62 377 323 A 28 THR H A 27 ILE HG2% 1.0 0.0 5.41 378 324 A 28 THR H A 27 ILE HD1% 1.0 0.0 5.88 379 325 A 16 PHE H A 15 ALA HB% 1.0 0.0 4.20 380 326 A 126 ARG H A 125 ILE HG2% 1.0 0.0 4.79 381 327 A 55 VAL H A 55 VAL HG1% 1.0 0.0 5.50 382 327 A 55 VAL H A 55 VAL HG2% 1.0 0.0 5.50 383 328 A 53 ILE H A 52 ILE HG2% 1.0 0.0 5.16 384 329 A 7 GLU H A 5 THR HG2% 1.0 0.0 4.91 385 330 A 57 ALA H A 55 VAL HG1% 1.0 0.0 7.70 386 330 A 57 ALA H A 55 VAL HG2% 1.0 0.0 7.70 387 331 A 51 MET H A 52 ILE HG2% 1.0 0.0 6.62 388 332 A 45 GLU H A 44 THR HG2% 1.0 0.0 4.73 389 333 A 101 SER H A 100 ILE HG2% 1.0 0.0 5.13 390 334 A 15 ALA H A 39 LEU HD1% 1.0 0.0 7.14 391 334 A 15 ALA H A 39 LEU HD2% 1.0 0.0 7.14 392 335 A 125 ILE H A 124 MET HE% 1.0 0.0 4.85 393 336 A 63 ILE H A 62 THR HG2% 1.0 0.0 5.84 394 337 A 59 GLY H A 55 VAL HG1% 1.0 0.0 7.42 395 337 A 59 GLY H A 55 VAL HG2% 1.0 0.0 7.42 396 338 A 52 ILE H A 52 ILE HG2% 1.0 0.0 4.26 397 339 A 52 ILE H A 52 ILE HD1% 1.0 0.0 4.73 398 340 A 34 THR H A 34 THR HG2% 1.0 0.0 4.88 399 341 A 74 ARG H A 73 ALA HB% 1.0 0.0 4.26 400 342 A 70 THR HG2% A 71 MET H 1.0 0.0 4.85 401 343 A 6 GLU H A 5 THR HG2% 1.0 0.0 4.67 402 344 A 4 LEU H A 4 LEU HD1% 1.0 0.0 7.70 403 344 A 4 LEU H A 4 LEU HD2% 1.0 0.0 7.70 404 345 A 9 ILE HG2% A 13 LYS H 1.0 0.0 5.60 405 346 A 118 ASP H A 117 THR HG2% 1.0 0.0 6.62 406 347 A 47 GLU H A 46 ALA HB% 1.0 0.0 4.60 407 348 A 44 THR H A 44 THR HG2% 1.0 0.0 3.52 408 349 A 72 MET H A 72 MET HE% 1.0 0.0 4.39 409 350 A 10 ALA HA A 11 GLU HB2 1.0 0.0 6.20 410 350 A 11 GLU HB3 A 10 ALA HA 1.0 0.0 6.20 411 351 A 52 ILE HB A 49 GLN HA 1.0 0.0 4.05 412 352 A 46 ALA HA A 49 GLN HB2 1.0 0.0 4.12 413 352 A 49 GLN HB3 A 46 ALA HA 1.0 0.0 4.12 414 353 A 44 THR HA A 44 THR HB 1.0 0.0 2.69 415 354 A 103 ALA HA A 106 ARG HB2 1.0 0.0 4.65 416 354 A 106 ARG HB3 A 103 ALA HA 1.0 0.0 4.65 417 355 A 142 VAL HA A 145 MET HB2 1.0 0.0 4.43 418 355 A 145 MET HB3 A 142 VAL HA 1.0 0.0 4.43 419 356 A 31 GLU HA A 30 LYS HB2 1.0 0.0 5.24 420 356 A 30 LYS HB3 A 31 GLU HA 1.0 0.0 5.24 421 357 A 29 THR HA A 32 LEU HB2 1.0 0.0 4.84 422 357 A 32 LEU HB3 A 29 THR HA 1.0 0.0 4.84 423 358 A 11 GLU HA A 14 GLU HB2 1.0 0.0 3.44 424 358 A 11 GLU HA A 14 GLU HB3 1.0 0.0 3.44 425 359 A 65 PHE HA A 68 PHE HB2 1.0 0.0 4.12 426 359 A 65 PHE HA A 68 PHE HB3 1.0 0.0 4.12 427 360 A 122 ASP HA A 125 ILE HB 1.0 0.0 3.15 428 361 A 119 GLU HA A 122 ASP HBx 1.0 0.0 3.71 429 362 A 119 GLU HA A 122 ASP HBy 1.0 0.0 3.71 430 363 A 53 ILE HB A 50 ASP HA 1.0 0.0 3.68 431 364 A 50 ASP HA A 49 GLN HB2 1.0 0.0 6.48 432 364 A 49 GLN HB3 A 50 ASP HA 1.0 0.0 6.48 433 365 A 17 SER HA A 20 ASP HBx 1.0 0.0 3.18 434 366 A 120 GLU HA A 119 GLU HB2 1.0 0.0 4.74 435 366 A 119 GLU HB3 A 120 GLU HA 1.0 0.0 4.74 436 367 A 141 PHE HA A 144 MET HBy 1.0 0.0 3.24 437 368 A 141 PHE HA A 144 MET HBx 1.0 0.0 3.24 438 369 A 139 GLU HA A 142 VAL HB 1.0 0.0 3.99 439 370 A 12 PHE HA A 11 GLU HB2 1.0 0.0 4.53 440 370 A 11 GLU HB3 A 12 PHE HA 1.0 0.0 4.53 441 371 A 8 GLN HA A 11 GLU HB2 1.0 0.0 3.47 442 371 A 8 GLN HA A 11 GLU HB3 1.0 0.0 3.47 443 372 A 67 GLU HA A 70 THR HB 1.0 0.0 3.46 444 373 A 64 ASP HA A 26 THR HA 1.0 0.0 2.50 445 374 A 55 VAL HA A 54 GLU HB2 1.0 0.0 6.14 446 374 A 54 GLU HB3 A 55 VAL HA 1.0 0.0 6.14 447 375 A 91 VAL HA A 90 ARG HB2 1.0 0.0 4.40 448 375 A 90 ARG HB3 A 91 VAL HA 1.0 0.0 4.40 449 376 A 26 THR HB A 26 THR HA 1.0 0.0 2.75 450 377 A 102 ALA HA A 105 LEU HB2 1.0 0.0 4.31 451 377 A 102 ALA HA A 105 LEU HB3 1.0 0.0 4.31 452 378 A 14 GLU HA A 17 SER HB2 1.0 0.0 3.66 453 378 A 17 SER HB3 A 14 GLU HA 1.0 0.0 3.66 454 379 A 9 ILE HA A 9 ILE HB 1.0 0.0 2.93 455 380 A 6 GLU HA A 9 ILE HB 1.0 0.0 3.83 456 381 A 108 VAL HB A 109 MET HA 1.0 0.0 4.73 457 382 A 101 SER HA A 100 ILE HA 1.0 0.0 5.60 458 383 A 36 MET HA A 39 LEU HB2 1.0 0.0 5.15 459 383 A 39 LEU HB3 A 36 MET HA 1.0 0.0 5.15 460 384 A 38 SER HA A 37 ARG HB2 1.0 0.0 5.18 461 384 A 37 ARG HB3 A 38 SER HA 1.0 0.0 5.18 462 385 A 28 THR HA A 29 THR HA 1.0 0.0 5.54 463 386 A 62 THR HA A 28 THR HA 1.0 0.0 2.62 464 387 A 15 ALA HA A 14 GLU HB2 1.0 0.0 5.58 465 387 A 15 ALA HA A 14 GLU HB3 1.0 0.0 5.58 466 388 A 121 VAL HB A 118 ASP HA 1.0 0.0 3.96 467 389 A 99 TYR HA A 137 ASN HA 1.0 0.0 2.93 468 390 A 137 ASN HA A 137 ASN HBx 1.0 0.0 2.62 469 391 A 137 ASN HA A 137 ASN HBy 1.0 0.0 2.62 470 392 A 34 THR HA A 37 ARG HB2 1.0 0.0 3.63 471 392 A 34 THR HA A 37 ARG HB3 1.0 0.0 3.63 472 393 A 17 SER HA A 20 ASP HBy 1.0 0.0 3.18 473 394 A 13 LYS HA A 16 PHE HBx 1.0 0.0 3.68 474 395 A 13 LYS HA A 16 PHE HBy 1.0 0.0 3.68 475 396 A 35 VAL HA A 38 SER HB2 1.0 0.0 4.03 476 396 A 38 SER HB3 A 35 VAL HA 1.0 0.0 4.03 477 397 A 34 THR HB A 35 VAL HA 1.0 0.0 5.60 478 398 A 69 LEU HA A 72 MET HB2 1.0 0.0 5.24 479 398 A 69 LEU HA A 72 MET HB3 1.0 0.0 5.24 480 399 A 42 ASN HA A 42 ASN HBx 1.0 0.0 2.78 481 400 A 42 ASN HA A 42 ASN HBy 1.0 0.0 2.78 482 401 A 41 GLN HA A 42 ASN HA 1.0 0.0 5.60 483 402 A 5 THR HB A 5 THR HA 1.0 0.0 2.50 484 403 A 73 ALA HA A 76 MET HBy 1.0 0.0 3.96 485 404 A 73 ALA HA A 76 MET HBx 1.0 0.0 3.96 486 405 A 53 ILE HB A 54 GLU HA 1.0 0.0 5.60 487 406 A 10 ALA HA A 14 GLU HG2 1.0 0.0 6.48 488 406 A 10 ALA HA A 14 GLU HG3 1.0 0.0 6.48 489 407 A 93 ASP HA A 100 ILE HB 1.0 0.0 5.60 490 408 A 48 LEU HA A 51 MET HG2 1.0 0.0 5.58 491 408 A 51 MET HG3 A 48 LEU HA 1.0 0.0 5.58 492 409 A 89 PHE HD% A 86 ARG HA 1.0 0.0 6.67 493 410 A 89 PHE HE% A 142 VAL HA 1.0 0.0 7.52 494 411 A 37 ARG HA A 43 PRO HDy 1.0 0.0 5.60 495 412 A 138 TYR HA A 141 PHE HD% 1.0 0.0 5.37 496 413 A 68 PHE HD% A 35 VAL HB 1.0 0.0 7.73 497 414 A 68 PHE HE% A 12 PHE HBy 1.0 0.0 6.65 498 415 A 65 PHE HD% A 66 PRO HA 1.0 0.0 7.73 499 416 A 66 PRO HA A 69 LEU HG 1.0 0.0 5.60 500 417 A 11 GLU HA A 14 GLU HG2 1.0 0.0 3.66 501 417 A 11 GLU HA A 14 GLU HG3 1.0 0.0 3.66 502 418 A 8 GLN HA A 12 PHE HD% 1.0 0.0 7.73 503 419 A 16 PHE HE% A 65 PHE HA 1.0 0.0 6.49 504 420 A 16 PHE HD% A 65 PHE HA 1.0 0.0 6.55 505 421 A 141 PHE HE% A 124 MET HBx 1.0 0.0 7.73 506 422 A 106 ARG HA A 105 LEU HG 1.0 0.0 4.61 507 423 A 106 ARG HA A 109 MET HG2 1.0 0.0 5.33 508 423 A 106 ARG HA A 109 MET HG3 1.0 0.0 5.33 509 424 A 138 TYR HD% A 99 TYR HA 1.0 0.0 6.49 510 425 A 92 PHE HD% A 92 PHE HA 1.0 0.0 6.30 511 426 A 136 VAL HB A 105 LEU HB2 1.0 0.0 5.40 512 426 A 136 VAL HB A 105 LEU HB3 1.0 0.0 5.40 513 427 A 5 THR HA A 6 GLU HG2 1.0 0.0 4.93 514 427 A 5 THR HA A 6 GLU HG3 1.0 0.0 4.93 515 428 A 107 HIS HD2 A 108 VAL HA 1.0 0.0 5.60 516 429 A 136 VAL HB A 102 ALA HA 1.0 0.0 5.60 517 430 A 138 TYR HE% A 93 ASP HA 1.0 0.0 7.73 518 431 A 126 ARG HB3 A 127 GLU HG2 1.0 0.0 6.06 519 431 A 126 ARG HB2 A 127 GLU HG2 1.0 0.0 6.06 520 431 A 127 GLU HG3 A 126 ARG HB2 1.0 0.0 6.06 521 431 A 126 ARG HB3 A 127 GLU HG3 1.0 0.0 6.06 522 432 A 12 PHE HA A 39 LEU HG 1.0 0.0 4.11 523 433 A 29 THR HB A 32 LEU HB2 1.0 0.0 6.48 524 433 A 32 LEU HB3 A 29 THR HB 1.0 0.0 6.48 525 434 A 28 THR HB A 62 THR HA 1.0 0.0 4.89 526 435 A 65 PHE HD% A 68 PHE HB2 1.0 0.0 8.61 527 435 A 65 PHE HD% A 68 PHE HB3 1.0 0.0 8.61 528 436 A 16 PHE HE% A 68 PHE HB2 1.0 0.0 8.61 529 436 A 16 PHE HE% A 68 PHE HB3 1.0 0.0 8.61 530 437 A 16 PHE HD% A 68 PHE HB2 1.0 0.0 8.61 531 437 A 16 PHE HD% A 68 PHE HB3 1.0 0.0 8.61 532 438 A 16 PHE HE% A 64 ASP HA 1.0 0.0 6.43 533 439 A 64 ASP HA A 16 PHE HZ 1.0 0.0 3.12 534 440 A 64 ASP HA A 66 PRO HDy 1.0 0.0 6.05 535 440 A 64 ASP HA A 66 PRO HDx 1.0 0.0 6.05 536 441 A 35 VAL HB A 16 PHE HA 1.0 0.0 5.60 537 442 A 16 PHE HA A 19 PHE HD% 1.0 0.0 7.73 538 443 A 16 PHE HD% A 16 PHE HA 1.0 0.0 6.30 539 444 A 16 PHE HA A 19 PHE HE% 1.0 0.0 7.73 540 445 A 123 GLU HG2 A 126 ARG HB2 1.0 0.0 6.62 541 445 A 123 GLU HG3 A 126 ARG HB2 1.0 0.0 6.62 542 445 A 126 ARG HB3 A 123 GLU HG2 1.0 0.0 6.62 543 445 A 126 ARG HB3 A 123 GLU HG3 1.0 0.0 6.62 544 446 A 64 ASP HA A 26 THR HB 1.0 0.0 3.43 545 447 A 26 THR HB A 16 PHE HZ 1.0 0.0 4.61 546 448 A 69 LEU HA A 72 MET HGx 1.0 0.0 5.60 547 449 A 100 ILE HB A 92 PHE HB2 1.0 0.0 5.83 548 449 A 92 PHE HB3 A 100 ILE HB 1.0 0.0 5.83 549 450 A 141 PHE HE% A 124 MET HBy 1.0 0.0 7.73 550 451 A 89 PHE HE% A 108 VAL HB 1.0 0.0 7.11 551 452 A 108 VAL HB A 89 PHE HZ 1.0 0.0 4.45 552 453 A 89 PHE HD% A 108 VAL HB 1.0 0.0 7.73 553 454 A 28 THR HA A 62 THR HB 1.0 0.0 4.61 554 455 A 15 ALA HA A 18 LEU HG 1.0 0.0 5.60 555 456 A 125 ILE HA A 141 PHE HE% 1.0 0.0 6.00 556 457 A 125 ILE HA A 141 PHE HZ 1.0 0.0 3.74 557 458 A 92 PHE HD% A 91 VAL HB 1.0 0.0 6.83 558 459 A 138 TYR HD% A 137 ASN HA 1.0 0.0 7.73 559 460 A 37 ARG HA A 43 PRO HDx 1.0 0.0 5.60 560 461 A 34 THR HA A 19 PHE HZ 1.0 0.0 5.01 561 462 A 16 PHE HE% A 26 THR HA 1.0 0.0 6.65 562 463 A 26 THR HA A 16 PHE HZ 1.0 0.0 2.53 563 464 A 68 PHE HE% A 12 PHE HBx 1.0 0.0 6.65 564 465 A 65 PHE HD% A 13 LYS HA 1.0 0.0 7.20 565 466 A 65 PHE HZ A 13 LYS HA 1.0 0.0 3.12 566 467 A 16 PHE HD% A 13 LYS HA 1.0 0.0 7.73 567 468 A 65 PHE HE% A 13 LYS HA 1.0 0.0 4.97 568 469 A 19 PHE HZ A 38 SER HB2 1.0 0.0 6.48 569 469 A 38 SER HB3 A 19 PHE HZ 1.0 0.0 6.48 570 470 A 15 ALA HA A 38 SER HB2 1.0 0.0 4.16 571 470 A 15 ALA HA A 38 SER HB3 1.0 0.0 4.16 572 471 A 19 PHE HE% A 38 SER HB2 1.0 0.0 8.61 573 471 A 38 SER HB3 A 19 PHE HE% 1.0 0.0 8.61 574 472 A 35 VAL HA A 19 PHE HD% 1.0 0.0 7.42 575 473 A 35 VAL HA A 19 PHE HE% 1.0 0.0 7.14 576 474 A 7 GLU HB2 A 8 GLN HG2 1.0 0.0 5.32 577 474 A 7 GLU HB3 A 8 GLN HG2 1.0 0.0 5.32 578 474 A 8 GLN HG3 A 7 GLU HB2 1.0 0.0 5.32 579 474 A 7 GLU HB3 A 8 GLN HG3 1.0 0.0 5.32 580 475 A 69 LEU HA A 72 MET HGy 1.0 0.0 5.60 581 476 A 26 THR HB A 62 THR HB 1.0 0.0 4.58 582 477 A 107 HIS HD2 A 107 HIS HA 1.0 0.0 5.60 583 478 A 42 ASN HA A 43 PRO HDy 1.0 0.0 2.87 584 479 A 42 ASN HA A 43 PRO HDx 1.0 0.0 2.87 585 480 A 42 ASN HA A 43 PRO HG2 1.0 0.0 5.65 586 480 A 42 ASN HA A 43 PRO HG3 1.0 0.0 5.65 587 481 A 51 MET HA A 54 GLU HG2 1.0 0.0 3.38 588 481 A 51 MET HA A 54 GLU HG3 1.0 0.0 3.38 589 482 A 34 THR HB A 19 PHE HD% 1.0 0.0 7.73 590 483 A 34 THR HB A 19 PHE HZ 1.0 0.0 5.10 591 484 A 34 THR HB A 19 PHE HE% 1.0 0.0 7.73 592 485 A 65 PHE HB2 A 66 PRO HDy 1.0 0.0 7.37 593 485 A 65 PHE HBy A 66 PRO HDy 1.0 0.0 7.37 594 485 A 66 PRO HDx A 65 PHE HB2 1.0 0.0 7.37 595 485 A 65 PHE HBy A 66 PRO HDx 1.0 0.0 7.37 596 486 A 8 GLN HB3 A 9 ILE HG12 1.0 0.0 7.14 597 486 A 9 ILE HG13 A 8 GLN HB2 1.0 0.0 7.14 598 486 A 8 GLN HB3 A 9 ILE HG13 1.0 0.0 7.14 599 486 A 8 GLN HB2 A 9 ILE HG12 1.0 0.0 7.14 600 487 A 52 ILE HB A 29 THR HB 1.0 0.0 5.60 601 488 A 49 GLN HA A 52 ILE HG2% 1.0 0.0 6.62 602 489 A 49 GLN HA A 52 ILE HD1% 1.0 0.0 3.77 603 490 A 102 ALA HB% A 103 ALA HA 1.0 0.0 6.46 604 491 A 85 ILE HG2% A 86 ARG HA 1.0 0.0 5.16 605 492 A 143 GLN HA A 146 THR HG2% 1.0 0.0 4.39 606 493 A 89 PHE HE% A 85 ILE HG2% 1.0 0.0 8.75 607 494 A 85 ILE HG2% A 89 PHE HZ 1.0 0.0 6.37 608 495 A 89 PHE HD% A 85 ILE HG2% 1.0 0.0 8.44 609 496 A 128 ALA HB% A 125 ILE HG2% 1.0 0.0 6.83 610 497 A 29 THR HG2% A 52 ILE HG2% 1.0 0.0 7.05 611 498 A 141 PHE HE% A 109 MET HE% 1.0 0.0 6.80 612 499 A 141 PHE HZ A 109 MET HE% 1.0 0.0 4.23 613 500 A 89 PHE HZ A 109 MET HE% 1.0 0.0 5.01 614 501 A 15 ALA HB% A 14 GLU HB2 1.0 0.0 4.55 615 501 A 14 GLU HB3 A 15 ALA HB% 1.0 0.0 4.55 616 502 A 62 THR HA A 29 THR HG2% 1.0 0.0 3.58 617 503 A 122 ASP HA A 125 ILE HG2% 1.0 0.0 4.48 618 504 A 122 ASP HA A 125 ILE HD1% 1.0 0.0 4.54 619 505 A 52 ILE HG2% A 53 ILE HA 1.0 0.0 4.08 620 506 A 106 ARG HA A 125 ILE HD1% 1.0 0.0 4.85 621 507 A 99 TYR HA A 100 ILE HG2% 1.0 0.0 4.94 622 508 A 138 TYR HE% A 142 VAL HG2% 1.0 0.0 5.65 623 509 A 68 PHE HD% A 72 MET HE% 1.0 0.0 6.95 624 510 A 138 TYR HE% A 100 ILE HD1% 1.0 0.0 8.75 625 511 A 100 ILE HD1% A 138 TYR HA 1.0 0.0 4.98 626 512 A 89 PHE HE% A 100 ILE HD1% 1.0 0.0 8.75 627 513 A 89 PHE HD% A 100 ILE HD1% 1.0 0.0 8.69 628 514 A 100 ILE HD1% A 100 ILE HA 1.0 0.0 6.62 629 515 A 100 ILE HD1% A 100 ILE HG2% 1.0 0.0 5.28 630 516 A 92 PHE HD% A 100 ILE HD1% 1.0 0.0 8.75 631 517 A 32 LEU HA A 35 VAL HG2% 1.0 0.0 5.29 632 518 A 27 ILE HA A 28 THR HG2% 1.0 0.0 6.62 633 519 A 72 MET HE% A 36 MET HE% 1.0 0.0 5.22 634 520 A 68 PHE HD% A 36 MET HE% 1.0 0.0 8.28 635 521 A 68 PHE HE% A 36 MET HE% 1.0 0.0 7.79 636 522 A 36 MET HE% A 51 MET HE% 1.0 0.0 4.54 637 523 A 71 MET HE% A 51 MET HBx 1.0 0.0 4.05 638 524 A 93 ASP HA A 100 ILE HG2% 1.0 0.0 3.64 639 525 A 141 PHE HA A 144 MET HE% 1.0 0.0 4.98 640 526 A 12 PHE HA A 39 LEU HD1% 1.0 0.0 6.02 641 526 A 39 LEU HD2% A 12 PHE HA 1.0 0.0 6.02 642 527 A 15 ALA HB% A 12 PHE HA 1.0 0.0 3.70 643 528 A 28 THR HB A 62 THR HG2% 1.0 0.0 6.62 644 529 A 53 ILE HB A 52 ILE HG2% 1.0 0.0 6.62 645 530 A 35 VAL HB A 27 ILE HG2% 1.0 0.0 6.62 646 531 A 27 ILE HG2% A 19 PHE HD% 1.0 0.0 8.75 647 532 A 16 PHE HE% A 27 ILE HG2% 1.0 0.0 7.29 648 533 A 16 PHE HD% A 27 ILE HG2% 1.0 0.0 8.00 649 534 A 27 ILE HG2% A 19 PHE HA 1.0 0.0 6.62 650 535 A 27 ILE HG2% A 19 PHE HBy 1.0 0.0 4.73 651 536 A 16 PHE HZ A 27 ILE HG2% 1.0 0.0 6.37 652 537 A 71 MET HE% A 68 PHE HA 1.0 0.0 4.63 653 538 A 71 MET HE% A 51 MET HBy 1.0 0.0 4.05 654 539 A 51 MET HA A 71 MET HE% 1.0 0.0 3.80 655 540 A 27 ILE HG2% A 16 PHE HA 1.0 0.0 6.62 656 541 A 15 ALA HB% A 16 PHE HA 1.0 0.0 4.54 657 542 A 32 LEU HB2 A 48 LEU HD1% 1.0 0.0 8.58 658 542 A 32 LEU HB3 A 48 LEU HD1% 1.0 0.0 8.58 659 542 A 48 LEU HD2% A 32 LEU HB2 1.0 0.0 8.58 660 542 A 32 LEU HB3 A 48 LEU HD2% 1.0 0.0 8.58 661 543 A 52 ILE HD1% A 32 LEU HB2 1.0 0.0 7.50 662 543 A 32 LEU HB3 A 52 ILE HD1% 1.0 0.0 7.50 663 544 A 100 ILE HD1% A 105 LEU HB2 1.0 0.0 6.57 664 544 A 100 ILE HD1% A 105 LEU HB3 1.0 0.0 6.57 665 545 A 68 PHE HE% A 39 LEU HD1% 1.0 0.0 9.83 666 545 A 39 LEU HD2% A 68 PHE HE% 1.0 0.0 9.83 667 546 A 16 PHE HE% A 63 ILE HG2% 1.0 0.0 7.64 668 547 A 68 PHE HD% A 63 ILE HG2% 1.0 0.0 7.66 669 548 A 16 PHE HZ A 63 ILE HG2% 1.0 0.0 6.62 670 549 A 101 SER HA A 102 ALA HB% 1.0 0.0 4.88 671 550 A 10 ALA HB% A 9 ILE HB 1.0 0.0 4.88 672 551 A 10 ALA HB% A 14 GLU HG2 1.0 0.0 4.87 673 551 A 10 ALA HB% A 14 GLU HG3 1.0 0.0 4.87 674 552 A 36 MET HA A 39 LEU HD1% 1.0 0.0 5.99 675 552 A 39 LEU HD2% A 36 MET HA 1.0 0.0 5.99 676 553 A 62 THR HG2% A 28 THR HG2% 1.0 0.0 4.91 677 554 A 29 THR HA A 63 ILE HD1% 1.0 0.0 3.52 678 555 A 63 ILE HD1% A 32 LEU HB2 1.0 0.0 6.04 679 555 A 32 LEU HB3 A 63 ILE HD1% 1.0 0.0 6.04 680 556 A 55 VAL HB A 63 ILE HD1% 1.0 0.0 4.14 681 557 A 48 LEU HD2% A 33 GLY HAy 1.0 0.0 5.03 682 557 A 33 GLY HAy A 48 LEU HD1% 1.0 0.0 5.03 683 558 A 125 ILE HA A 128 ALA HB% 1.0 0.0 4.48 684 559 A 52 ILE HA A 63 ILE HD1% 1.0 0.0 5.04 685 560 A 34 THR HG2% A 19 PHE HD% 1.0 0.0 6.89 686 561 A 34 THR HG2% A 19 PHE HZ 1.0 0.0 4.54 687 562 A 34 THR HG2% A 19 PHE HE% 1.0 0.0 7.60 688 563 A 26 THR HG2% A 64 ASP HBx 1.0 0.0 4.20 689 564 A 64 ASP HA A 26 THR HG2% 1.0 0.0 3.52 690 565 A 26 THR HG2% A 64 ASP HBy 1.0 0.0 4.20 691 566 A 62 THR HB A 26 THR HG2% 1.0 0.0 6.62 692 567 A 26 THR HA A 27 ILE HG2% 1.0 0.0 5.41 693 568 A 109 MET HE% A 145 MET HE% 1.0 0.0 4.57 694 569 A 141 PHE HE% A 145 MET HE% 1.0 0.0 7.57 695 570 A 141 PHE HZ A 145 MET HE% 1.0 0.0 5.19 696 571 A 89 PHE HZ A 145 MET HE% 1.0 0.0 4.23 697 572 A 73 ALA HB% A 74 ARG HA 1.0 0.0 4.54 698 573 A 71 MET HA A 70 THR HG2% 1.0 0.0 4.26 699 574 A 9 ILE HG2% A 6 GLU HA 1.0 0.0 4.70 700 575 A 6 GLU HA A 9 ILE HD1% 1.0 0.0 3.52 701 576 A 128 ALA HB% A 141 PHE HE% 1.0 0.0 6.89 702 577 A 128 ALA HB% A 141 PHE HZ 1.0 0.0 4.23 703 578 A 128 ALA HB% A 141 PHE HD% 1.0 0.0 7.45 704 579 A 46 ALA HB% A 47 GLU HA 1.0 0.0 5.29 705 580 A 19 PHE HD% A 35 VAL HG1% 1.0 0.0 8.03 706 581 A 16 PHE HD% A 35 VAL HG1% 1.0 0.0 8.65 707 582 A 103 ALA HB% A 101 SER HB2 1.0 0.0 6.79 708 582 A 101 SER HB3 A 103 ALA HB% 1.0 0.0 6.79 709 583 A 43 PRO HG2 A 48 LEU HD1% 1.0 0.0 6.66 710 583 A 43 PRO HG3 A 48 LEU HD1% 1.0 0.0 6.66 711 583 A 48 LEU HD2% A 43 PRO HG2 1.0 0.0 6.66 712 583 A 48 LEU HD2% A 43 PRO HG3 1.0 0.0 6.66 713 584 A 15 ALA HB% A 38 SER HB2 1.0 0.0 6.45 714 584 A 38 SER HB3 A 15 ALA HB% 1.0 0.0 6.45 715 585 A 35 VAL HB A 27 ILE HD1% 1.0 0.0 4.17 716 586 A 32 LEU HA A 27 ILE HD1% 1.0 0.0 3.74 717 587 A 27 ILE HA A 27 ILE HD1% 1.0 0.0 5.29 718 588 A 16 PHE HE% A 27 ILE HD1% 1.0 0.0 7.70 719 589 A 27 ILE HD1% A 68 PHE HB2 1.0 0.0 7.00 720 589 A 68 PHE HB3 A 27 ILE HD1% 1.0 0.0 7.00 721 590 A 68 PHE HD% A 27 ILE HD1% 1.0 0.0 8.07 722 591 A 16 PHE HD% A 27 ILE HD1% 1.0 0.0 8.13 723 592 A 27 ILE HD1% A 32 LEU HB2 1.0 0.0 5.70 724 592 A 32 LEU HB3 A 27 ILE HD1% 1.0 0.0 5.70 725 593 A 27 ILE HD1% A 68 PHE HE% 1.0 0.0 8.50 726 594 A 16 PHE HZ A 27 ILE HD1% 1.0 0.0 6.62 727 595 A 100 ILE HG2% A 138 TYR HBx 1.0 0.0 5.04 728 596 A 100 ILE HG2% A 92 PHE HB2 1.0 0.0 6.38 729 596 A 92 PHE HB3 A 100 ILE HG2% 1.0 0.0 6.38 730 597 A 100 ILE HG2% A 138 TYR HBy 1.0 0.0 5.04 731 598 A 5 THR HG2% A 8 GLN HG2 1.0 0.0 5.89 732 598 A 8 GLN HG3 A 5 THR HG2% 1.0 0.0 5.89 733 599 A 20 ASP HA A 27 ILE HG2% 1.0 0.0 3.83 734 600 A 15 ALA HB% A 39 LEU HG 1.0 0.0 3.52 735 601 A 15 ALA HB% A 19 PHE HD% 1.0 0.0 8.03 736 602 A 15 ALA HB% A 39 LEU HA 1.0 0.0 5.56 737 603 A 15 ALA HB% A 39 LEU HD1% 1.0 0.0 6.27 738 603 A 15 ALA HB% A 39 LEU HD2% 1.0 0.0 6.27 739 604 A 15 ALA HB% A 68 PHE HE% 1.0 0.0 7.14 740 605 A 15 ALA HB% A 19 PHE HE% 1.0 0.0 8.29 741 606 A 63 ILE HB A 27 ILE HD1% 1.0 0.0 4.92 742 607 A 107 HIS HA A 110 THR HG2% 1.0 0.0 6.40 743 608 A 19 PHE HD% A 35 VAL HG2% 1.0 0.0 8.03 744 609 A 16 PHE HA A 35 VAL HG2% 1.0 0.0 4.39 745 610 A 27 ILE HD1% A 35 VAL HG2% 1.0 0.0 6.49 746 611 A 33 GLY HAx A 48 LEU HD2% 1.0 0.0 5.03 747 611 A 33 GLY HAx A 48 LEU HD1% 1.0 0.0 5.03 748 612 A 27 ILE HG2% A 68 PHE HB2 1.0 0.0 6.48 749 612 A 68 PHE HB3 A 27 ILE HG2% 1.0 0.0 6.48 750 613 A 16 PHE HD% A 35 VAL HG2% 1.0 0.0 8.65 751 614 A 27 ILE HD1% A 35 VAL HG1% 1.0 0.0 6.49 752 615 A 16 PHE HA A 35 VAL HG1% 1.0 0.0 4.39 753 616 A 32 LEU HA A 35 VAL HG1% 1.0 0.0 5.29 754 617 A 15 ALA HA A 35 VAL HG2% 1.0 0.0 5.66 755 618 A 15 ALA HA A 35 VAL HG1% 1.0 0.0 5.66 756 619 A 27 ILE HG2% A 19 PHE HBx 1.0 0.0 4.73 757 620 A 36 MET HE% A 68 PHE HZ 1.0 0.0 6.62 758 621 A 4 LEU H A 3 GLN HBx 1.0 0.0 4.28 759 621 A 4 LEU H A 3 GLN HBy 1.0 0.0 4.28 760 622 A 9 ILE HA A 12 PHE HBx 1.0 0.0 3.11 761 622 A 9 ILE HA A 12 PHE HBy 1.0 0.0 3.11 762 623 A 9 ILE HG2% A 13 LYS HBy 1.0 0.0 3.71 763 623 A 9 ILE HG2% A 13 LYS HBx 1.0 0.0 3.71 764 624 A 12 PHE HA A 12 PHE HBx 1.0 0.0 2.66 765 624 A 12 PHE HA A 12 PHE HBy 1.0 0.0 2.66 766 625 A 13 LYS H A 12 PHE HBx 1.0 0.0 3.19 767 625 A 13 LYS H A 12 PHE HBy 1.0 0.0 3.19 768 626 A 65 PHE HE% A 12 PHE HBx 1.0 0.0 6.41 769 626 A 65 PHE HE% A 12 PHE HBy 1.0 0.0 6.41 770 627 A 65 PHE HZ A 12 PHE HBx 1.0 0.0 4.92 771 627 A 65 PHE HZ A 12 PHE HBy 1.0 0.0 4.92 772 628 A 68 PHE HE% A 12 PHE HBx 1.0 0.0 5.80 773 628 A 68 PHE HE% A 12 PHE HBy 1.0 0.0 5.80 774 629 A 12 PHE HBx A 69 LEU HD1% 1.0 0.0 5.49 775 629 A 69 LEU HD2% A 12 PHE HBx 1.0 0.0 5.49 776 629 A 12 PHE HBy A 69 LEU HD2% 1.0 0.0 5.49 777 629 A 12 PHE HBy A 69 LEU HD1% 1.0 0.0 5.49 778 630 A 13 LYS HA A 13 LYS HGy 1.0 0.0 2.63 779 630 A 13 LYS HA A 13 LYS HGx 1.0 0.0 2.63 780 631 A 13 LYS HA A 16 PHE HBx 1.0 0.0 2.95 781 631 A 13 LYS HA A 16 PHE HBy 1.0 0.0 2.95 782 632 A 13 LYS HBy A 13 LYS HDy 1.0 0.0 3.26 783 632 A 13 LYS HBx A 13 LYS HDy 1.0 0.0 3.26 784 632 A 13 LYS HDx A 13 LYS HBy 1.0 0.0 3.26 785 632 A 13 LYS HBx A 13 LYS HDx 1.0 0.0 3.26 786 633 A 14 GLU H A 13 LYS HBy 1.0 0.0 3.03 787 633 A 14 GLU H A 13 LYS HBx 1.0 0.0 3.03 788 634 A 13 LYS HBx A 14 GLU HG2 1.0 0.0 6.26 789 634 A 13 LYS HBy A 14 GLU HG2 1.0 0.0 6.26 790 634 A 14 GLU HG3 A 13 LYS HBy 1.0 0.0 6.26 791 634 A 14 GLU HG3 A 13 LYS HBx 1.0 0.0 6.26 792 635 A 65 PHE HE% A 13 LYS HBy 1.0 0.0 7.41 793 635 A 65 PHE HE% A 13 LYS HBx 1.0 0.0 7.41 794 636 A 65 PHE HZ A 13 LYS HBy 1.0 0.0 4.46 795 636 A 65 PHE HZ A 13 LYS HBx 1.0 0.0 4.46 796 637 A 16 PHE HD% A 13 LYS HGy 1.0 0.0 6.50 797 637 A 16 PHE HD% A 13 LYS HGx 1.0 0.0 6.50 798 638 A 65 PHE HE% A 13 LYS HGy 1.0 0.0 5.82 799 638 A 65 PHE HE% A 13 LYS HGx 1.0 0.0 5.82 800 639 A 15 ALA HA A 18 LEU HBy 1.0 0.0 4.71 801 639 A 15 ALA HA A 18 LEU HBx 1.0 0.0 4.71 802 640 A 15 ALA HA A 18 LEU HD1% 1.0 0.0 4.24 803 640 A 15 ALA HA A 18 LEU HD2% 1.0 0.0 4.24 804 641 A 15 ALA HB% A 18 LEU HD1% 1.0 0.0 6.69 805 641 A 15 ALA HB% A 18 LEU HD2% 1.0 0.0 6.69 806 642 A 16 PHE HA A 35 VAL HG2% 1.0 0.0 3.81 807 642 A 16 PHE HA A 35 VAL HG1% 1.0 0.0 3.81 808 643 A 17 SER H A 16 PHE HBx 1.0 0.0 3.40 809 643 A 17 SER H A 16 PHE HBy 1.0 0.0 3.40 810 644 A 16 PHE HBx A 35 VAL HG2% 1.0 0.0 4.53 811 644 A 35 VAL HG1% A 16 PHE HBx 1.0 0.0 4.53 812 644 A 16 PHE HBy A 35 VAL HG1% 1.0 0.0 4.53 813 644 A 16 PHE HBy A 35 VAL HG2% 1.0 0.0 4.53 814 645 A 65 PHE HD% A 16 PHE HBx 1.0 0.0 4.53 815 645 A 65 PHE HD% A 16 PHE HBy 1.0 0.0 4.53 816 646 A 16 PHE HD% A 35 VAL HG2% 1.0 0.0 7.65 817 646 A 16 PHE HD% A 35 VAL HG1% 1.0 0.0 7.65 818 647 A 16 PHE HD% A 64 ASP HBx 1.0 0.0 7.42 819 647 A 16 PHE HD% A 64 ASP HBy 1.0 0.0 7.42 820 648 A 16 PHE HE% A 27 ILE HG1x 1.0 0.0 6.73 821 648 A 16 PHE HE% A 27 ILE HG1y 1.0 0.0 6.73 822 649 A 16 PHE HZ A 27 ILE HG1x 1.0 0.0 4.95 823 649 A 16 PHE HZ A 27 ILE HG1y 1.0 0.0 4.95 824 650 A 16 PHE HZ A 64 ASP HBx 1.0 0.0 5.44 825 650 A 16 PHE HZ A 64 ASP HBy 1.0 0.0 5.44 826 651 A 17 SER HA A 20 ASP HBy 1.0 0.0 2.76 827 651 A 17 SER HA A 20 ASP HBx 1.0 0.0 2.76 828 652 A 17 SER HB2 A 20 ASP HBy 1.0 0.0 5.10 829 652 A 17 SER HB3 A 20 ASP HBy 1.0 0.0 5.10 830 652 A 20 ASP HBx A 17 SER HB2 1.0 0.0 5.10 831 652 A 17 SER HB3 A 20 ASP HBx 1.0 0.0 5.10 832 653 A 19 PHE H A 18 LEU HBy 1.0 0.0 3.06 833 653 A 19 PHE H A 18 LEU HBx 1.0 0.0 3.06 834 654 A 19 PHE HD% A 18 LEU HBy 1.0 0.0 7.42 835 654 A 19 PHE HD% A 18 LEU HBx 1.0 0.0 7.42 836 655 A 19 PHE HE% A 18 LEU HBy 1.0 0.0 7.42 837 655 A 19 PHE HE% A 18 LEU HBx 1.0 0.0 7.42 838 656 A 18 LEU HD2% A 38 SER HB2 1.0 0.0 7.36 839 656 A 18 LEU HD1% A 38 SER HB2 1.0 0.0 7.36 840 656 A 38 SER HB3 A 18 LEU HD1% 1.0 0.0 7.36 841 656 A 38 SER HB3 A 18 LEU HD2% 1.0 0.0 7.36 842 657 A 19 PHE H A 19 PHE HBx 1.0 0.0 3.16 843 657 A 19 PHE H A 19 PHE HBy 1.0 0.0 3.16 844 658 A 20 ASP H A 19 PHE HBx 1.0 0.0 3.33 845 658 A 20 ASP H A 19 PHE HBy 1.0 0.0 3.33 846 659 A 27 ILE HG2% A 19 PHE HBx 1.0 0.0 4.04 847 659 A 27 ILE HG2% A 19 PHE HBy 1.0 0.0 4.04 848 660 A 19 PHE HBx A 35 VAL HG2% 1.0 0.0 4.03 849 660 A 19 PHE HBy A 35 VAL HG2% 1.0 0.0 4.03 850 660 A 35 VAL HG1% A 19 PHE HBx 1.0 0.0 4.03 851 660 A 35 VAL HG1% A 19 PHE HBy 1.0 0.0 4.03 852 661 A 19 PHE HE% A 35 VAL HG2% 1.0 0.0 7.11 853 661 A 19 PHE HE% A 35 VAL HG1% 1.0 0.0 7.11 854 662 A 27 ILE HG2% A 20 ASP HBy 1.0 0.0 3.74 855 662 A 27 ILE HG2% A 20 ASP HBx 1.0 0.0 3.74 856 663 A 23 GLY H A 22 ASP HBx 1.0 0.0 3.22 857 663 A 23 GLY H A 22 ASP HBy 1.0 0.0 3.22 858 664 A 26 THR H A 24 ASP HBy 1.0 0.0 3.71 859 664 A 26 THR H A 24 ASP HBx 1.0 0.0 3.71 860 665 A 26 THR HA A 25 GLY HAx 1.0 0.0 5.39 861 665 A 26 THR HA A 25 GLY HAy 1.0 0.0 5.39 862 666 A 26 THR HG2% A 25 GLY HAx 1.0 0.0 5.41 863 666 A 26 THR HG2% A 25 GLY HAy 1.0 0.0 5.41 864 667 A 26 THR HA A 27 ILE HG1x 1.0 0.0 5.44 865 667 A 26 THR HA A 27 ILE HG1y 1.0 0.0 5.44 866 668 A 26 THR HA A 64 ASP HBx 1.0 0.0 4.61 867 668 A 26 THR HA A 64 ASP HBy 1.0 0.0 4.61 868 669 A 26 THR HG2% A 64 ASP HBx 1.0 0.0 3.65 869 669 A 26 THR HG2% A 64 ASP HBy 1.0 0.0 3.65 870 670 A 27 ILE H A 27 ILE HG1x 1.0 0.0 3.98 871 670 A 27 ILE H A 27 ILE HG1y 1.0 0.0 3.98 872 671 A 27 ILE HB A 35 VAL HG2% 1.0 0.0 4.07 873 671 A 27 ILE HB A 35 VAL HG1% 1.0 0.0 4.07 874 672 A 27 ILE HG2% A 35 VAL HG2% 1.0 0.0 5.74 875 672 A 27 ILE HG2% A 35 VAL HG1% 1.0 0.0 5.74 876 673 A 29 THR HA A 27 ILE HG1x 1.0 0.0 5.10 877 673 A 29 THR HA A 27 ILE HG1y 1.0 0.0 5.10 878 674 A 32 LEU H A 27 ILE HG1x 1.0 0.0 4.44 879 674 A 32 LEU H A 27 ILE HG1y 1.0 0.0 4.44 880 675 A 32 LEU HA A 27 ILE HG1x 1.0 0.0 5.13 881 675 A 32 LEU HA A 27 ILE HG1y 1.0 0.0 5.13 882 676 A 27 ILE HG1y A 32 LEU HD1% 1.0 0.0 4.73 883 676 A 32 LEU HD2% A 27 ILE HG1x 1.0 0.0 4.73 884 676 A 27 ILE HG1y A 32 LEU HD2% 1.0 0.0 4.73 885 676 A 27 ILE HG1x A 32 LEU HD1% 1.0 0.0 4.73 886 677 A 63 ILE H A 27 ILE HG1x 1.0 0.0 3.42 887 677 A 63 ILE H A 27 ILE HG1y 1.0 0.0 3.42 888 678 A 63 ILE HB A 27 ILE HG1x 1.0 0.0 3.88 889 678 A 63 ILE HB A 27 ILE HG1y 1.0 0.0 3.88 890 679 A 27 ILE HG1x A 63 ILE HG1y 1.0 0.0 5.01 891 679 A 27 ILE HG1y A 63 ILE HG1y 1.0 0.0 5.01 892 679 A 63 ILE HG1x A 27 ILE HG1x 1.0 0.0 5.01 893 679 A 27 ILE HG1y A 63 ILE HG1x 1.0 0.0 5.01 894 680 A 27 ILE HD1% A 32 LEU HD1% 1.0 0.0 4.60 895 680 A 27 ILE HD1% A 32 LEU HD2% 1.0 0.0 4.60 896 681 A 27 ILE HD1% A 35 VAL HG2% 1.0 0.0 5.21 897 681 A 27 ILE HD1% A 35 VAL HG1% 1.0 0.0 5.21 898 682 A 27 ILE HD1% A 63 ILE HG1y 1.0 0.0 5.35 899 682 A 27 ILE HD1% A 63 ILE HG1x 1.0 0.0 5.35 900 683 A 28 THR H A 31 GLU HBy 1.0 0.0 2.88 901 683 A 28 THR H A 31 GLU HBx 1.0 0.0 2.88 902 684 A 29 THR HA A 63 ILE HG1y 1.0 0.0 3.39 903 684 A 29 THR HA A 63 ILE HG1x 1.0 0.0 3.39 904 685 A 29 THR HG2% A 61 GLY HAx 1.0 0.0 4.01 905 685 A 29 THR HG2% A 61 GLY HAy 1.0 0.0 4.01 906 686 A 29 THR HG2% A 63 ILE HG1y 1.0 0.0 3.48 907 686 A 29 THR HG2% A 63 ILE HG1x 1.0 0.0 3.48 908 687 A 32 LEU H A 31 GLU HBy 1.0 0.0 3.30 909 687 A 32 LEU H A 31 GLU HBx 1.0 0.0 3.30 910 688 A 34 THR HB A 31 GLU HBy 1.0 0.0 5.15 911 688 A 34 THR HB A 31 GLU HBx 1.0 0.0 5.15 912 689 A 31 GLU HBx A 35 VAL HG2% 1.0 0.0 3.70 913 689 A 31 GLU HBy A 35 VAL HG2% 1.0 0.0 3.70 914 689 A 35 VAL HG1% A 31 GLU HBy 1.0 0.0 3.70 915 689 A 35 VAL HG1% A 31 GLU HBx 1.0 0.0 3.70 916 690 A 32 LEU HA A 35 VAL HG2% 1.0 0.0 4.08 917 690 A 32 LEU HA A 35 VAL HG1% 1.0 0.0 4.08 918 691 A 32 LEU HB2 A 63 ILE HG1y 1.0 0.0 4.09 919 691 A 32 LEU HB3 A 63 ILE HG1y 1.0 0.0 4.09 920 691 A 63 ILE HG1x A 32 LEU HB2 1.0 0.0 4.09 921 691 A 32 LEU HB3 A 63 ILE HG1x 1.0 0.0 4.09 922 692 A 35 VAL HB A 32 LEU HD1% 1.0 0.0 6.40 923 692 A 35 VAL HB A 32 LEU HD2% 1.0 0.0 6.40 924 693 A 32 LEU HD1% A 35 VAL HG2% 1.0 0.0 5.69 925 693 A 32 LEU HD2% A 35 VAL HG2% 1.0 0.0 5.69 926 693 A 35 VAL HG1% A 32 LEU HD1% 1.0 0.0 5.69 927 693 A 35 VAL HG1% A 32 LEU HD2% 1.0 0.0 5.69 928 694 A 63 ILE HB A 32 LEU HD1% 1.0 0.0 5.81 929 694 A 63 ILE HB A 32 LEU HD2% 1.0 0.0 5.81 930 695 A 32 LEU HD1% A 63 ILE HG1y 1.0 0.0 5.63 931 695 A 32 LEU HD2% A 63 ILE HG1y 1.0 0.0 5.63 932 695 A 63 ILE HG1x A 32 LEU HD1% 1.0 0.0 5.63 933 695 A 32 LEU HD2% A 63 ILE HG1x 1.0 0.0 5.63 934 696 A 63 ILE HD1% A 32 LEU HD1% 1.0 0.0 6.10 935 696 A 63 ILE HD1% A 32 LEU HD2% 1.0 0.0 6.10 936 697 A 68 PHE HE% A 32 LEU HD1% 1.0 0.0 7.45 937 697 A 68 PHE HE% A 32 LEU HD2% 1.0 0.0 7.45 938 698 A 33 GLY HAy A 36 MET HBy 1.0 0.0 3.91 939 698 A 33 GLY HAx A 36 MET HBy 1.0 0.0 3.91 940 698 A 36 MET HBx A 33 GLY HAy 1.0 0.0 3.91 941 698 A 33 GLY HAx A 36 MET HBx 1.0 0.0 3.91 942 699 A 33 GLY HAy A 36 MET HGy 1.0 0.0 5.28 943 699 A 33 GLY HAx A 36 MET HGy 1.0 0.0 5.28 944 699 A 36 MET HGx A 33 GLY HAy 1.0 0.0 5.28 945 699 A 33 GLY HAx A 36 MET HGx 1.0 0.0 5.28 946 700 A 33 GLY HAy A 43 PRO HG2 1.0 0.0 4.76 947 700 A 33 GLY HAx A 43 PRO HG2 1.0 0.0 4.76 948 700 A 43 PRO HG3 A 33 GLY HAy 1.0 0.0 4.76 949 700 A 33 GLY HAx A 43 PRO HG3 1.0 0.0 4.76 950 701 A 33 GLY HAy A 48 LEU HD1% 1.0 0.0 4.39 951 701 A 33 GLY HAx A 48 LEU HD1% 1.0 0.0 4.39 952 701 A 48 LEU HD2% A 33 GLY HAy 1.0 0.0 4.39 953 701 A 33 GLY HAx A 48 LEU HD2% 1.0 0.0 4.39 954 702 A 34 THR HB A 35 VAL HG2% 1.0 0.0 4.64 955 702 A 34 THR HB A 35 VAL HG1% 1.0 0.0 4.64 956 703 A 68 PHE HE% A 35 VAL HG2% 1.0 0.0 6.82 957 703 A 68 PHE HE% A 35 VAL HG1% 1.0 0.0 6.82 958 704 A 68 PHE HZ A 35 VAL HG2% 1.0 0.0 3.99 959 704 A 68 PHE HZ A 35 VAL HG1% 1.0 0.0 3.99 960 705 A 36 MET HA A 36 MET HGy 1.0 0.0 3.11 961 705 A 36 MET HA A 36 MET HGx 1.0 0.0 3.11 962 706 A 37 ARG H A 36 MET HBy 1.0 0.0 2.70 963 706 A 37 ARG H A 36 MET HBx 1.0 0.0 2.70 964 707 A 36 MET HBx A 37 ARG HB2 1.0 0.0 5.69 965 707 A 36 MET HBy A 37 ARG HB2 1.0 0.0 5.69 966 707 A 37 ARG HB3 A 36 MET HBy 1.0 0.0 5.69 967 707 A 37 ARG HB3 A 36 MET HBx 1.0 0.0 5.69 968 708 A 36 MET HBx A 43 PRO HDy 1.0 0.0 3.13 969 708 A 36 MET HBy A 43 PRO HDy 1.0 0.0 3.13 970 708 A 43 PRO HDx A 36 MET HBy 1.0 0.0 3.13 971 708 A 36 MET HBx A 43 PRO HDx 1.0 0.0 3.13 972 709 A 37 ARG H A 36 MET HGy 1.0 0.0 4.57 973 709 A 37 ARG H A 36 MET HGx 1.0 0.0 4.57 974 710 A 68 PHE HE% A 36 MET HGy 1.0 0.0 5.79 975 710 A 68 PHE HE% A 36 MET HGx 1.0 0.0 5.79 976 711 A 36 MET HE% A 72 MET HGy 1.0 0.0 5.84 977 711 A 36 MET HE% A 72 MET HGx 1.0 0.0 5.84 978 712 A 41 GLN HA A 40 GLY HAx 1.0 0.0 5.21 979 712 A 41 GLN HA A 40 GLY HAy 1.0 0.0 5.21 980 713 A 42 ASN H A 41 GLN HGy 1.0 0.0 3.63 981 713 A 42 ASN H A 41 GLN HGx 1.0 0.0 3.63 982 714 A 42 ASN HA A 43 PRO HDy 1.0 0.0 2.38 983 714 A 42 ASN HA A 43 PRO HDx 1.0 0.0 2.38 984 715 A 44 THR HA A 43 PRO HBy 1.0 0.0 5.44 985 715 A 44 THR HA A 43 PRO HBx 1.0 0.0 5.44 986 716 A 43 PRO HBy A 48 LEU HBy 1.0 0.0 4.69 987 716 A 43 PRO HBx A 48 LEU HBy 1.0 0.0 4.69 988 716 A 48 LEU HBx A 43 PRO HBy 1.0 0.0 4.69 989 716 A 43 PRO HBx A 48 LEU HBx 1.0 0.0 4.69 990 717 A 43 PRO HBx A 48 LEU HD1% 1.0 0.0 6.30 991 717 A 48 LEU HD2% A 43 PRO HBy 1.0 0.0 6.30 992 717 A 48 LEU HD2% A 43 PRO HBx 1.0 0.0 6.30 993 717 A 43 PRO HBy A 48 LEU HD1% 1.0 0.0 6.30 994 718 A 51 MET HE% A 43 PRO HBy 1.0 0.0 5.93 995 718 A 51 MET HE% A 43 PRO HBx 1.0 0.0 5.93 996 719 A 49 GLN H A 48 LEU HBy 1.0 0.0 3.00 997 719 A 49 GLN H A 48 LEU HBx 1.0 0.0 3.00 998 720 A 49 GLN HA A 48 LEU HBy 1.0 0.0 4.63 999 720 A 49 GLN HA A 48 LEU HBx 1.0 0.0 4.63 1000 721 A 50 ASP HA A 53 ILE HG1x 1.0 0.0 3.78 1001 721 A 50 ASP HA A 53 ILE HG1y 1.0 0.0 3.78 1002 722 A 51 MET H A 50 ASP HBx 1.0 0.0 3.83 1003 722 A 51 MET H A 50 ASP HBy 1.0 0.0 3.83 1004 723 A 52 ILE H A 51 MET HBx 1.0 0.0 2.99 1005 723 A 52 ILE H A 51 MET HBy 1.0 0.0 2.99 1006 724 A 71 MET HE% A 51 MET HBx 1.0 0.0 3.50 1007 724 A 71 MET HE% A 51 MET HBy 1.0 0.0 3.50 1008 725 A 52 ILE HG2% A 56 ASP HBx 1.0 0.0 5.41 1009 725 A 52 ILE HG2% A 56 ASP HBy 1.0 0.0 5.41 1010 726 A 53 ILE HA A 56 ASP HBx 1.0 0.0 4.68 1011 726 A 53 ILE HA A 56 ASP HBy 1.0 0.0 4.68 1012 727 A 55 VAL HG1% A 63 ILE HG1y 1.0 0.0 3.81 1013 727 A 55 VAL HG2% A 63 ILE HG1y 1.0 0.0 3.81 1014 727 A 63 ILE HG1x A 55 VAL HG1% 1.0 0.0 3.81 1015 727 A 55 VAL HG2% A 63 ILE HG1x 1.0 0.0 3.81 1016 728 A 57 ALA H A 56 ASP HBx 1.0 0.0 4.22 1017 728 A 57 ALA H A 56 ASP HBy 1.0 0.0 4.22 1018 729 A 64 ASP H A 63 ILE HG1y 1.0 0.0 4.43 1019 729 A 64 ASP H A 63 ILE HG1x 1.0 0.0 4.43 1020 730 A 63 ILE HG1y A 67 GLU HBx 1.0 0.0 4.61 1021 730 A 63 ILE HG1x A 67 GLU HBx 1.0 0.0 4.61 1022 730 A 67 GLU HBy A 63 ILE HG1y 1.0 0.0 4.61 1023 730 A 63 ILE HG1x A 67 GLU HBy 1.0 0.0 4.61 1024 731 A 63 ILE HG1y A 68 PHE HB2 1.0 0.0 6.26 1025 731 A 63 ILE HG1x A 68 PHE HB2 1.0 0.0 6.26 1026 731 A 68 PHE HB3 A 63 ILE HG1y 1.0 0.0 6.26 1027 731 A 68 PHE HB3 A 63 ILE HG1x 1.0 0.0 6.26 1028 732 A 64 ASP H A 64 ASP HBx 1.0 0.0 3.78 1029 732 A 64 ASP H A 64 ASP HBy 1.0 0.0 3.78 1030 733 A 64 ASP H A 67 GLU HBx 1.0 0.0 3.27 1031 733 A 64 ASP H A 67 GLU HBy 1.0 0.0 3.27 1032 734 A 65 PHE H A 64 ASP HBx 1.0 0.0 2.66 1033 734 A 65 PHE H A 64 ASP HBy 1.0 0.0 2.66 1034 735 A 64 ASP HBx A 66 PRO HG2 1.0 0.0 4.09 1035 735 A 64 ASP HBy A 66 PRO HG2 1.0 0.0 4.09 1036 735 A 66 PRO HG3 A 64 ASP HBx 1.0 0.0 4.09 1037 735 A 64 ASP HBy A 66 PRO HG3 1.0 0.0 4.09 1038 736 A 64 ASP HBy A 66 PRO HDy 1.0 0.0 6.10 1039 736 A 64 ASP HBx A 66 PRO HDy 1.0 0.0 6.10 1040 736 A 66 PRO HDx A 64 ASP HBx 1.0 0.0 6.10 1041 736 A 66 PRO HDx A 64 ASP HBy 1.0 0.0 6.10 1042 737 A 67 GLU H A 64 ASP HBx 1.0 0.0 3.60 1043 737 A 67 GLU H A 64 ASP HBy 1.0 0.0 3.60 1044 738 A 65 PHE HE% A 69 LEU HD1% 1.0 0.0 8.54 1045 738 A 65 PHE HE% A 69 LEU HD2% 1.0 0.0 8.54 1046 739 A 65 PHE HZ A 69 LEU HD1% 1.0 0.0 3.51 1047 739 A 65 PHE HZ A 69 LEU HD2% 1.0 0.0 3.51 1048 740 A 66 PRO HA A 69 LEU HBy 1.0 0.0 4.09 1049 740 A 66 PRO HA A 69 LEU HBx 1.0 0.0 4.09 1050 741 A 66 PRO HBy A 67 GLU HG2 1.0 0.0 5.69 1051 741 A 66 PRO HBx A 67 GLU HG2 1.0 0.0 5.69 1052 741 A 67 GLU HG3 A 66 PRO HBy 1.0 0.0 5.69 1053 741 A 66 PRO HBx A 67 GLU HG3 1.0 0.0 5.69 1054 742 A 68 PHE H A 67 GLU HBx 1.0 0.0 3.56 1055 742 A 68 PHE H A 67 GLU HBy 1.0 0.0 3.56 1056 743 A 68 PHE HA A 67 GLU HBx 1.0 0.0 5.01 1057 743 A 68 PHE HA A 67 GLU HBy 1.0 0.0 5.01 1058 744 A 68 PHE HE% A 72 MET HGy 1.0 0.0 6.68 1059 744 A 68 PHE HE% A 72 MET HGx 1.0 0.0 6.68 1060 745 A 69 LEU HA A 72 MET HGy 1.0 0.0 4.74 1061 745 A 69 LEU HA A 72 MET HGx 1.0 0.0 4.74 1062 746 A 70 THR H A 69 LEU HBy 1.0 0.0 3.67 1063 746 A 70 THR H A 69 LEU HBx 1.0 0.0 3.67 1064 747 A 72 MET H A 72 MET HGy 1.0 0.0 3.20 1065 747 A 72 MET H A 72 MET HGx 1.0 0.0 3.20 1066 748 A 72 MET HA A 72 MET HGy 1.0 0.0 3.58 1067 748 A 72 MET HGx A 72 MET HA 1.0 0.0 3.58 1068 749 A 73 ALA HA A 76 MET HBx 1.0 0.0 3.43 1069 749 A 73 ALA HA A 76 MET HBy 1.0 0.0 3.43 1070 750 A 82 GLU H A 81 SER HBy 1.0 0.0 4.46 1071 750 A 81 SER HBx A 82 GLU H 1.0 0.0 4.46 1072 751 A 82 GLU HA A 85 ILE HG1y 1.0 0.0 4.66 1073 751 A 82 GLU HA A 85 ILE HG1x 1.0 0.0 4.66 1074 752 A 83 GLU H A 82 GLU HBy 1.0 0.0 2.76 1075 752 A 82 GLU HBx A 83 GLU H 1.0 0.0 2.76 1076 753 A 84 GLU HA A 87 GLU HBy 1.0 0.0 3.60 1077 753 A 84 GLU HA A 87 GLU HBx 1.0 0.0 3.60 1078 754 A 84 GLU HB2 A 85 ILE HG1y 1.0 0.0 5.42 1079 754 A 84 GLU HB3 A 85 ILE HG1y 1.0 0.0 5.42 1080 754 A 85 ILE HG1x A 84 GLU HB2 1.0 0.0 5.42 1081 754 A 84 GLU HB3 A 85 ILE HG1x 1.0 0.0 5.42 1082 755 A 85 ILE HA A 85 ILE HG1y 1.0 0.0 3.32 1083 755 A 85 ILE HG1x A 85 ILE HA 1.0 0.0 3.32 1084 756 A 85 ILE HB A 142 VAL HG2% 1.0 0.0 3.77 1085 756 A 85 ILE HB A 142 VAL HG1% 1.0 0.0 3.77 1086 757 A 85 ILE HG2% A 142 VAL HG2% 1.0 0.0 6.69 1087 757 A 85 ILE HG2% A 142 VAL HG1% 1.0 0.0 6.69 1088 758 A 86 ARG H A 85 ILE HG1y 1.0 0.0 5.44 1089 758 A 86 ARG H A 85 ILE HG1x 1.0 0.0 5.44 1090 759 A 86 ARG H A 142 VAL HG2% 1.0 0.0 5.60 1091 759 A 86 ARG H A 142 VAL HG1% 1.0 0.0 5.60 1092 760 A 86 ARG HA A 142 VAL HG2% 1.0 0.0 4.90 1093 760 A 86 ARG HA A 142 VAL HG1% 1.0 0.0 4.90 1094 761 A 88 ALA H A 87 GLU HBy 1.0 0.0 2.97 1095 761 A 88 ALA H A 87 GLU HBx 1.0 0.0 2.97 1096 762 A 88 ALA HA A 87 GLU HBy 1.0 0.0 5.44 1097 762 A 87 GLU HBx A 88 ALA HA 1.0 0.0 5.44 1098 763 A 87 GLU HGy A 90 ARG HB2 1.0 0.0 5.28 1099 763 A 87 GLU HGx A 90 ARG HB2 1.0 0.0 5.28 1100 763 A 90 ARG HB3 A 87 GLU HGy 1.0 0.0 5.28 1101 763 A 90 ARG HB3 A 87 GLU HGx 1.0 0.0 5.28 1102 764 A 88 ALA HA A 91 VAL HG1% 1.0 0.0 6.52 1103 764 A 88 ALA HA A 91 VAL HG2% 1.0 0.0 6.52 1104 765 A 88 ALA HB% A 108 VAL HG1% 1.0 0.0 5.50 1105 765 A 88 ALA HB% A 108 VAL HG2% 1.0 0.0 5.50 1106 766 A 89 PHE HD% A 108 VAL HG1% 1.0 0.0 7.51 1107 766 A 89 PHE HD% A 108 VAL HG2% 1.0 0.0 7.51 1108 767 A 89 PHE HD% A 138 TYR HBy 1.0 0.0 6.19 1109 767 A 89 PHE HD% A 138 TYR HBx 1.0 0.0 6.19 1110 768 A 89 PHE HD% A 142 VAL HG2% 1.0 0.0 8.54 1111 768 A 89 PHE HD% A 142 VAL HG1% 1.0 0.0 8.54 1112 769 A 89 PHE HE% A 108 VAL HG1% 1.0 0.0 8.48 1113 769 A 89 PHE HE% A 108 VAL HG2% 1.0 0.0 8.48 1114 770 A 89 PHE HE% A 142 VAL HG2% 1.0 0.0 7.31 1115 770 A 89 PHE HE% A 142 VAL HG1% 1.0 0.0 7.31 1116 771 A 89 PHE HZ A 108 VAL HG1% 1.0 0.0 4.33 1117 771 A 89 PHE HZ A 108 VAL HG2% 1.0 0.0 4.33 1118 772 A 90 ARG HA A 93 ASP HBy 1.0 0.0 5.04 1119 772 A 90 ARG HA A 93 ASP HBx 1.0 0.0 5.04 1120 773 A 90 ARG HB3 A 91 VAL HG1% 1.0 0.0 6.18 1121 773 A 90 ARG HB2 A 91 VAL HG1% 1.0 0.0 6.18 1122 773 A 91 VAL HG2% A 90 ARG HB2 1.0 0.0 6.18 1123 773 A 90 ARG HB3 A 91 VAL HG2% 1.0 0.0 6.18 1124 774 A 91 VAL H A 91 VAL HG1% 1.0 0.0 4.27 1125 774 A 91 VAL H A 91 VAL HG2% 1.0 0.0 4.27 1126 775 A 92 PHE HD% A 91 VAL HG1% 1.0 0.0 7.66 1127 775 A 92 PHE HD% A 91 VAL HG2% 1.0 0.0 7.66 1128 776 A 92 PHE HZ A 91 VAL HG1% 1.0 0.0 5.68 1129 776 A 91 VAL HG2% A 92 PHE HZ 1.0 0.0 5.68 1130 777 A 92 PHE HE% A 108 VAL HG1% 1.0 0.0 7.93 1131 777 A 108 VAL HG2% A 92 PHE HE% 1.0 0.0 7.93 1132 778 A 92 PHE HZ A 108 VAL HG1% 1.0 0.0 4.97 1133 778 A 108 VAL HG2% A 92 PHE HZ 1.0 0.0 4.97 1134 779 A 100 ILE HG2% A 93 ASP HBy 1.0 0.0 6.22 1135 779 A 100 ILE HG2% A 93 ASP HBx 1.0 0.0 6.22 1136 780 A 138 TYR HE% A 93 ASP HBy 1.0 0.0 4.54 1137 780 A 138 TYR HE% A 93 ASP HBx 1.0 0.0 4.54 1138 781 A 97 ASN H A 96 GLY HAx 1.0 0.0 3.18 1139 781 A 97 ASN H A 96 GLY HAy 1.0 0.0 3.18 1140 782 A 99 TYR H A 98 GLY HAx 1.0 0.0 3.13 1141 782 A 99 TYR H A 98 GLY HAy 1.0 0.0 3.13 1142 783 A 99 TYR HD% A 98 GLY HAx 1.0 0.0 4.53 1143 783 A 99 TYR HD% A 98 GLY HAy 1.0 0.0 4.53 1144 784 A 100 ILE H A 99 TYR HBx 1.0 0.0 3.42 1145 784 A 100 ILE H A 99 TYR HBy 1.0 0.0 3.42 1146 785 A 99 TYR HBy A 135 GLN HBx 1.0 0.0 3.68 1147 785 A 99 TYR HBx A 135 GLN HBx 1.0 0.0 3.68 1148 785 A 135 GLN HBy A 99 TYR HBx 1.0 0.0 3.68 1149 785 A 99 TYR HBy A 135 GLN HBy 1.0 0.0 3.68 1150 786 A 100 ILE HB A 104 GLU HB2 1.0 0.0 4.43 1151 786 A 100 ILE HB A 104 GLU HB3 1.0 0.0 4.43 1152 787 A 100 ILE HG2% A 104 GLU HB2 1.0 0.0 5.41 1153 787 A 100 ILE HG2% A 104 GLU HB3 1.0 0.0 5.41 1154 788 A 138 TYR HD% A 100 ILE HG1y 1.0 0.0 5.80 1155 788 A 138 TYR HD% A 100 ILE HG1x 1.0 0.0 5.80 1156 789 A 100 ILE HD1% A 105 LEU HD1% 1.0 0.0 6.10 1157 789 A 100 ILE HD1% A 105 LEU HD2% 1.0 0.0 6.10 1158 790 A 100 ILE HD1% A 138 TYR HBy 1.0 0.0 5.50 1159 790 A 100 ILE HD1% A 138 TYR HBx 1.0 0.0 5.50 1160 791 A 101 SER H A 135 GLN HBx 1.0 0.0 5.44 1161 791 A 101 SER H A 135 GLN HBy 1.0 0.0 5.44 1162 792 A 101 SER HA A 135 GLN HGy 1.0 0.0 3.27 1163 792 A 101 SER HA A 135 GLN HGx 1.0 0.0 3.27 1164 793 A 101 SER HA A 136 VAL HG1% 1.0 0.0 5.63 1165 793 A 101 SER HA A 136 VAL HG2% 1.0 0.0 5.63 1166 794 A 102 ALA H A 136 VAL HG1% 1.0 0.0 4.51 1167 794 A 102 ALA H A 136 VAL HG2% 1.0 0.0 4.51 1168 795 A 102 ALA HA A 136 VAL HG1% 1.0 0.0 5.00 1169 795 A 102 ALA HA A 136 VAL HG2% 1.0 0.0 5.00 1170 796 A 104 GLU HA A 107 HIS HBy 1.0 0.0 4.43 1171 796 A 104 GLU HA A 107 HIS HBx 1.0 0.0 4.43 1172 797 A 105 LEU HA A 104 GLU HB2 1.0 0.0 5.44 1173 797 A 105 LEU HA A 104 GLU HB3 1.0 0.0 5.44 1174 798 A 105 LEU HA A 107 HIS HBy 1.0 0.0 5.44 1175 798 A 105 LEU HA A 107 HIS HBx 1.0 0.0 5.44 1176 799 A 105 LEU HA A 108 VAL HG1% 1.0 0.0 4.21 1177 799 A 105 LEU HA A 108 VAL HG2% 1.0 0.0 4.21 1178 800 A 105 LEU HB2 A 136 VAL HG1% 1.0 0.0 5.61 1179 800 A 105 LEU HB3 A 136 VAL HG1% 1.0 0.0 5.61 1180 800 A 136 VAL HG2% A 105 LEU HB2 1.0 0.0 5.61 1181 800 A 105 LEU HB3 A 136 VAL HG2% 1.0 0.0 5.61 1182 801 A 109 MET HE% A 105 LEU HD1% 1.0 0.0 5.71 1183 801 A 109 MET HE% A 105 LEU HD2% 1.0 0.0 5.71 1184 802 A 125 ILE HA A 105 LEU HD1% 1.0 0.0 5.95 1185 802 A 125 ILE HA A 105 LEU HD2% 1.0 0.0 5.95 1186 803 A 125 ILE HG2% A 105 LEU HD1% 1.0 0.0 7.49 1187 803 A 125 ILE HG2% A 105 LEU HD2% 1.0 0.0 7.49 1188 804 A 125 ILE HD1% A 105 LEU HD1% 1.0 0.0 7.49 1189 804 A 125 ILE HD1% A 105 LEU HD2% 1.0 0.0 7.49 1190 805 A 136 VAL HB A 105 LEU HD1% 1.0 0.0 4.51 1191 805 A 136 VAL HB A 105 LEU HD2% 1.0 0.0 4.51 1192 806 A 105 LEU HD2% A 136 VAL HG1% 1.0 0.0 5.37 1193 806 A 105 LEU HD1% A 136 VAL HG1% 1.0 0.0 5.37 1194 806 A 136 VAL HG2% A 105 LEU HD1% 1.0 0.0 5.37 1195 806 A 105 LEU HD2% A 136 VAL HG2% 1.0 0.0 5.37 1196 807 A 141 PHE HE% A 105 LEU HD1% 1.0 0.0 6.54 1197 807 A 141 PHE HE% A 105 LEU HD2% 1.0 0.0 6.54 1198 808 A 106 ARG HA A 109 MET HBx 1.0 0.0 3.60 1199 808 A 106 ARG HA A 109 MET HBy 1.0 0.0 3.60 1200 809 A 108 VAL H A 107 HIS HBy 1.0 0.0 2.85 1201 809 A 108 VAL H A 107 HIS HBx 1.0 0.0 2.85 1202 810 A 107 HIS HBy A 108 VAL HG1% 1.0 0.0 5.54 1203 810 A 107 HIS HBx A 108 VAL HG1% 1.0 0.0 5.54 1204 810 A 108 VAL HG2% A 107 HIS HBy 1.0 0.0 5.54 1205 810 A 108 VAL HG2% A 107 HIS HBx 1.0 0.0 5.54 1206 811 A 107 HIS HD2 A 108 VAL HG1% 1.0 0.0 4.54 1207 811 A 107 HIS HD2 A 108 VAL HG2% 1.0 0.0 4.54 1208 812 A 108 VAL HA A 111 ASN HBy 1.0 0.0 3.33 1209 812 A 108 VAL HA A 111 ASN HBx 1.0 0.0 3.33 1210 813 A 109 MET HA A 108 VAL HG1% 1.0 0.0 4.67 1211 813 A 109 MET HA A 108 VAL HG2% 1.0 0.0 4.67 1212 814 A 110 THR H A 109 MET HBx 1.0 0.0 3.12 1213 814 A 110 THR H A 109 MET HBy 1.0 0.0 3.12 1214 815 A 110 THR HA A 109 MET HBx 1.0 0.0 4.65 1215 815 A 109 MET HBy A 110 THR HA 1.0 0.0 4.65 1216 816 A 114 GLU H A 113 GLY HAx 1.0 0.0 3.18 1217 816 A 113 GLY HAy A 114 GLU H 1.0 0.0 3.18 1218 817 A 119 GLU H A 118 ASP HBy 1.0 0.0 3.78 1219 817 A 119 GLU H A 118 ASP HBx 1.0 0.0 3.78 1220 818 A 121 VAL HA A 124 MET HBx 1.0 0.0 4.28 1221 818 A 121 VAL HA A 124 MET HBy 1.0 0.0 4.28 1222 819 A 122 ASP H A 121 VAL HG1% 1.0 0.0 5.00 1223 819 A 122 ASP H A 121 VAL HG2% 1.0 0.0 5.00 1224 820 A 123 GLU H A 122 ASP HBx 1.0 0.0 3.10 1225 820 A 123 GLU H A 122 ASP HBy 1.0 0.0 3.10 1226 821 A 123 GLU HG3 A 124 MET HBx 1.0 0.0 5.60 1227 821 A 123 GLU HG2 A 124 MET HBx 1.0 0.0 5.60 1228 821 A 124 MET HBy A 123 GLU HG2 1.0 0.0 5.60 1229 821 A 123 GLU HG3 A 124 MET HBy 1.0 0.0 5.60 1230 822 A 125 ILE H A 124 MET HBx 1.0 0.0 3.11 1231 822 A 125 ILE H A 124 MET HBy 1.0 0.0 3.11 1232 823 A 125 ILE HA A 124 MET HBx 1.0 0.0 5.44 1233 823 A 125 ILE HA A 124 MET HBy 1.0 0.0 5.44 1234 824 A 124 MET HBy A 125 ILE HG1x 1.0 0.0 4.71 1235 824 A 125 ILE HG1y A 124 MET HBx 1.0 0.0 4.71 1236 824 A 124 MET HBy A 125 ILE HG1y 1.0 0.0 4.71 1237 824 A 124 MET HBx A 125 ILE HG1x 1.0 0.0 4.71 1238 825 A 141 PHE HZ A 124 MET HBx 1.0 0.0 4.56 1239 825 A 141 PHE HZ A 124 MET HBy 1.0 0.0 4.56 1240 826 A 128 ALA H A 127 GLU HBx 1.0 0.0 3.20 1241 826 A 128 ALA H A 127 GLU HBy 1.0 0.0 3.20 1242 827 A 130 ILE H A 129 ASP HBx 1.0 0.0 4.52 1243 827 A 130 ILE H A 129 ASP HBy 1.0 0.0 4.52 1244 828 A 130 ILE H A 130 ILE HG1y 1.0 0.0 5.44 1245 828 A 130 ILE H A 130 ILE HG1x 1.0 0.0 5.44 1246 829 A 133 ASP H A 132 GLY HAx 1.0 0.0 3.07 1247 829 A 132 GLY HAy A 133 ASP H 1.0 0.0 3.07 1248 830 A 135 GLN H A 134 GLY HAx 1.0 0.0 3.03 1249 830 A 134 GLY HAy A 135 GLN H 1.0 0.0 3.03 1250 831 A 137 ASN H A 136 VAL HG1% 1.0 0.0 4.30 1251 831 A 137 ASN H A 136 VAL HG2% 1.0 0.0 4.30 1252 832 A 138 TYR HA A 136 VAL HG1% 1.0 0.0 5.95 1253 832 A 138 TYR HA A 136 VAL HG2% 1.0 0.0 5.95 1254 833 A 136 VAL HG2% A 141 PHE HBy 1.0 0.0 6.04 1255 833 A 136 VAL HG1% A 141 PHE HBy 1.0 0.0 6.04 1256 833 A 141 PHE HBx A 136 VAL HG1% 1.0 0.0 6.04 1257 833 A 136 VAL HG2% A 141 PHE HBx 1.0 0.0 6.04 1258 834 A 141 PHE HD% A 136 VAL HG1% 1.0 0.0 8.48 1259 834 A 141 PHE HD% A 136 VAL HG2% 1.0 0.0 8.48 1260 835 A 141 PHE HE% A 136 VAL HG1% 1.0 0.0 8.54 1261 835 A 141 PHE HE% A 136 VAL HG2% 1.0 0.0 8.54 1262 836 A 141 PHE HZ A 136 VAL HG1% 1.0 0.0 5.21 1263 836 A 141 PHE HZ A 136 VAL HG2% 1.0 0.0 5.21 1264 837 A 138 TYR HA A 141 PHE HBy 1.0 0.0 3.09 1265 837 A 138 TYR HA A 141 PHE HBx 1.0 0.0 3.09 1266 838 A 138 TYR HD% A 142 VAL HG2% 1.0 0.0 5.58 1267 838 A 138 TYR HD% A 142 VAL HG1% 1.0 0.0 5.58 1268 839 A 139 GLU HA A 142 VAL HG2% 1.0 0.0 5.98 1269 839 A 139 GLU HA A 142 VAL HG1% 1.0 0.0 5.98 1270 840 A 139 GLU HG3 A 142 VAL HG2% 1.0 0.0 4.65 1271 840 A 139 GLU HG2 A 142 VAL HG2% 1.0 0.0 4.65 1272 840 A 142 VAL HG1% A 139 GLU HG2 1.0 0.0 4.65 1273 840 A 142 VAL HG1% A 139 GLU HG3 1.0 0.0 4.65 1274 841 A 140 GLU H A 142 VAL HG2% 1.0 0.0 6.25 1275 841 A 140 GLU H A 142 VAL HG1% 1.0 0.0 6.25 1276 842 A 141 PHE H A 140 GLU HBy 1.0 0.0 3.45 1277 842 A 141 PHE H A 140 GLU HBx 1.0 0.0 3.45 1278 843 A 142 VAL H A 141 PHE HBy 1.0 0.0 3.03 1279 843 A 142 VAL H A 141 PHE HBx 1.0 0.0 3.03 1280 844 A 143 GLN H A 142 VAL HG2% 1.0 0.0 5.33 1281 844 A 142 VAL HG1% A 143 GLN H 1.0 0.0 5.33 1282 845 A 145 MET H A 144 MET HBx 1.0 0.0 3.33 1283 845 A 145 MET H A 144 MET HBy 1.0 0.0 3.33 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 5 THR C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -91.0 -31.0 PHI 2 2 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 GLU N 1.0 -68.0 -8.0 PSI 3 3 A 6 GLU C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -95.0 -35.0 PHI 4 4 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 GLN N 1.0 -71.0 -11.0 PSI 5 5 A 7 GLU C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -96.0 -36.0 PHI 6 6 A 8 GLN N A 8 GLN CA A 8 GLN C A 9 ILE N 1.0 -73.0 -13.0 PSI 7 7 A 8 GLN C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -94.0 -34.0 PHI 8 8 A 9 ILE N A 9 ILE CA A 9 ILE C A 10 ALA N 1.0 -72.0 -12.0 PSI 9 9 A 9 ILE C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -93.0 -33.0 PHI 10 10 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -68.0 -8.0 PSI 11 11 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -92.0 -32.0 PHI 12 12 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 PHE N 1.0 -75.0 -15.0 PSI 13 13 A 11 GLU C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -100.0 -40.0 PHI 14 14 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 LYS N 1.0 -64.0 -4.0 PSI 15 15 A 12 PHE C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -94.0 -34.0 PHI 16 16 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 -68.0 -8.0 PSI 17 17 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -95.0 -35.0 PHI 18 18 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 ALA N 1.0 -71.0 -11.0 PSI 19 19 A 14 GLU C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -96.0 -36.0 PHI 20 20 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 PHE N 1.0 -68.0 -8.0 PSI 21 21 A 15 ALA C A 16 PHE N A 16 PHE CA A 16 PHE C 1.0 -93.0 -33.0 PHI 22 22 A 16 PHE N A 16 PHE CA A 16 PHE C A 17 SER N 1.0 -73.0 -13.0 PSI 23 23 A 16 PHE C A 17 SER N A 17 SER CA A 17 SER C 1.0 -90.0 -30.0 PHI 24 24 A 17 SER N A 17 SER CA A 17 SER C A 18 LEU N 1.0 -70.0 -10.0 PSI 25 25 A 17 SER C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -94.0 -34.0 PHI 26 26 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 PHE N 1.0 -64.0 -4.0 PSI 27 27 A 18 LEU C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -123.0 -63.0 PHI 28 28 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 ASP N 1.0 -37.0 23.0 PSI 29 29 A 20 ASP C A 21 LYS N A 21 LYS CA A 21 LYS C 1.0 -98.0 -38.0 PHI 30 30 A 21 LYS N A 21 LYS CA A 21 LYS C A 22 ASP N 1.0 -49.0 11.0 PSI 31 31 A 21 LYS C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -126.0 -66.0 PHI 32 32 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 GLY N 1.0 -28.0 32.0 PSI 33 33 A 22 ASP C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 52.0 112.0 PHI 34 34 A 23 GLY N A 23 GLY CA A 23 GLY C A 24 ASP N 1.0 -14.0 46.0 PSI 35 35 A 23 GLY C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -124.0 -64.0 PHI 36 36 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLY N 1.0 -27.0 33.0 PSI 37 37 A 24 ASP C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 59.0 119.0 PHI 38 38 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 THR N 1.0 -32.0 28.0 PSI 39 39 A 25 GLY C A 26 THR N A 26 THR CA A 26 THR C 1.0 -163.0 -103.0 PHI 40 40 A 26 THR N A 26 THR CA A 26 THR C A 27 ILE N 1.0 133.0 193.0 PSI 41 41 A 26 THR C A 27 ILE N A 27 ILE CA A 27 ILE C 1.0 -141.0 -81.0 PHI 42 42 A 27 ILE N A 27 ILE CA A 27 ILE C A 28 THR N 1.0 130.0 190.0 PSI 43 43 A 27 ILE C A 28 THR N A 28 THR CA A 28 THR C 1.0 -125.0 -65.0 PHI 44 44 A 28 THR N A 28 THR CA A 28 THR C A 29 THR N 1.0 136.0 196.0 PSI 45 45 A 28 THR C A 29 THR N A 29 THR CA A 29 THR C 1.0 -92.0 -32.0 PHI 46 46 A 29 THR N A 29 THR CA A 29 THR C A 30 LYS N 1.0 -66.0 -6.0 PSI 47 47 A 29 THR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -92.0 -32.0 PHI 48 48 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLU N 1.0 -65.0 -5.0 PSI 49 49 A 30 LYS C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -104.0 -44.0 PHI 50 50 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -50.0 10.0 PSI 51 51 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -88.0 -28.0 PHI 52 52 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLY N 1.0 -76.0 -16.0 PSI 53 53 A 32 LEU C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -93.0 -33.0 PHI 54 54 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 THR N 1.0 -72.0 -12.0 PSI 55 55 A 33 GLY C A 34 THR N A 34 THR CA A 34 THR C 1.0 -96.0 -36.0 PHI 56 56 A 34 THR N A 34 THR CA A 34 THR C A 35 VAL N 1.0 -74.0 -14.0 PSI 57 57 A 34 THR C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -94.0 -34.0 PHI 58 58 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 MET N 1.0 -72.0 -12.0 PSI 59 59 A 35 VAL C A 36 MET N A 36 MET CA A 36 MET C 1.0 -92.0 -32.0 PHI 60 60 A 36 MET N A 36 MET CA A 36 MET C A 37 ARG N 1.0 -74.0 -14.0 PSI 61 61 A 36 MET C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -98.0 -38.0 PHI 62 62 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -64.0 -4.0 PSI 63 63 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -96.0 -36.0 PHI 64 64 A 38 SER N A 38 SER CA A 38 SER C A 39 LEU N 1.0 -54.0 6.0 PSI 65 65 A 38 SER C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -117.0 -57.0 PHI 66 66 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLY N 1.0 -32.0 28.0 PSI 67 67 A 39 LEU C A 40 GLY N A 40 GLY CA A 40 GLY C 1.0 47.0 107.0 PHI 68 68 A 40 GLY N A 40 GLY CA A 40 GLY C A 41 GLN N 1.0 -5.0 55.0 PSI 69 69 A 40 GLY C A 41 GLN N A 41 GLN CA A 41 GLN C 1.0 -145.0 -85.0 PHI 70 70 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ASN N 1.0 123.0 183.0 PSI 71 71 A 41 GLN C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -148.0 -88.0 PHI 72 72 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 PRO N 1.0 92.0 152.0 PSI 73 73 A 43 PRO C A 44 THR N A 44 THR CA A 44 THR C 1.0 -125.0 -65.0 PHI 74 74 A 44 THR N A 44 THR CA A 44 THR C A 45 GLU N 1.0 133.0 193.0 PSI 75 75 A 44 THR C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -90.0 -30.0 PHI 76 76 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ALA N 1.0 -69.0 -9.0 PSI 77 77 A 45 GLU C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -95.0 -35.0 PHI 78 78 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 GLU N 1.0 -70.0 -10.0 PSI 79 79 A 46 ALA C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -98.0 -38.0 PHI 80 80 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -70.0 -10.0 PSI 81 81 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -94.0 -34.0 PHI 82 82 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLN N 1.0 -73.0 -13.0 PSI 83 83 A 48 LEU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -92.0 -32.0 PHI 84 84 A 49 GLN N A 49 GLN CA A 49 GLN C A 50 ASP N 1.0 -72.0 -12.0 PSI 85 85 A 49 GLN C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -93.0 -33.0 PHI 86 86 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 MET N 1.0 -71.0 -11.0 PSI 87 87 A 50 ASP C A 51 MET N A 51 MET CA A 51 MET C 1.0 -96.0 -36.0 PHI 88 88 A 51 MET N A 51 MET CA A 51 MET C A 52 ILE N 1.0 -71.0 -11.0 PSI 89 89 A 51 MET C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -94.0 -34.0 PHI 90 90 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 ILE N 1.0 -71.0 -11.0 PSI 91 91 A 52 ILE C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -95.0 -35.0 PHI 92 92 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 GLU N 1.0 -70.0 -10.0 PSI 93 93 A 53 ILE C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -102.0 -42.0 PHI 94 94 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 VAL N 1.0 -66.0 -6.0 PSI 95 95 A 54 GLU C A 55 VAL N A 55 VAL CA A 55 VAL C 1.0 -124.0 -64.0 PHI 96 96 A 55 VAL N A 55 VAL CA A 55 VAL C A 56 ASP N 1.0 -43.0 17.0 PSI 97 97 A 56 ASP C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -91.0 -31.0 PHI 98 98 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 ASP N 1.0 -61.0 -1.0 PSI 99 99 A 57 ALA C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -121.0 -61.0 PHI 100 100 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 GLY N 1.0 -27.0 33.0 PSI 101 101 A 58 ASP C A 59 GLY N A 59 GLY CA A 59 GLY C 1.0 30.0 90.0 PHI 102 102 A 59 GLY N A 59 GLY CA A 59 GLY C A 60 ASN N 1.0 6.0 66.0 PSI 103 103 A 59 GLY C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -124.0 -64.0 PHI 104 104 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 GLY N 1.0 -29.0 31.0 PSI 105 105 A 60 ASN C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 49.0 109.0 PHI 106 106 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 THR N 1.0 -10.0 50.0 PSI 107 107 A 61 GLY C A 62 THR N A 62 THR CA A 62 THR C 1.0 -153.0 -93.0 PHI 108 108 A 62 THR N A 62 THR CA A 62 THR C A 63 ILE N 1.0 131.0 191.0 PSI 109 109 A 62 THR C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -157.0 -97.0 PHI 110 110 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ASP N 1.0 112.0 172.0 PSI 111 111 A 64 ASP C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -88.0 -28.0 PHI 112 112 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 PRO N 1.0 -74.0 -14.0 PSI 113 113 A 66 PRO C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -98.0 -38.0 PHI 114 114 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 PHE N 1.0 -65.0 -5.0 PSI 115 115 A 67 GLU C A 68 PHE N A 68 PHE CA A 68 PHE C 1.0 -93.0 -33.0 PHI 116 116 A 68 PHE N A 68 PHE CA A 68 PHE C A 69 LEU N 1.0 -76.0 -16.0 PSI 117 117 A 68 PHE C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -92.0 -32.0 PHI 118 118 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 THR N 1.0 -69.0 -9.0 PSI 119 119 A 69 LEU C A 70 THR N A 70 THR CA A 70 THR C 1.0 -99.0 -39.0 PHI 120 120 A 70 THR N A 70 THR CA A 70 THR C A 71 MET N 1.0 -67.0 -7.0 PSI 121 121 A 70 THR C A 71 MET N A 71 MET CA A 71 MET C 1.0 -94.0 -34.0 PHI 122 122 A 71 MET N A 71 MET CA A 71 MET C A 72 MET N 1.0 -72.0 -12.0 PSI 123 123 A 71 MET C A 72 MET N A 72 MET CA A 72 MET C 1.0 -94.0 -34.0 PHI 124 124 A 72 MET N A 72 MET CA A 72 MET C A 73 ALA N 1.0 -68.0 -8.0 PSI 125 125 A 72 MET C A 73 ALA N A 73 ALA CA A 73 ALA C 1.0 -95.0 -35.0 PHI 126 126 A 73 ALA N A 73 ALA CA A 73 ALA C A 74 ARG N 1.0 -70.0 -10.0 PSI 127 127 A 73 ALA C A 74 ARG N A 74 ARG CA A 74 ARG C 1.0 -91.0 -31.0 PHI 128 128 A 74 ARG N A 74 ARG CA A 74 ARG C A 75 LYS N 1.0 -71.0 -11.0 PSI 129 129 A 74 ARG C A 75 LYS N A 75 LYS CA A 75 LYS C 1.0 -93.0 -33.0 PHI 130 130 A 75 LYS N A 75 LYS CA A 75 LYS C A 76 MET N 1.0 -58.0 2.0 PSI 131 131 A 75 LYS C A 76 MET N A 76 MET CA A 76 MET C 1.0 -113.0 -53.0 PHI 132 132 A 76 MET N A 76 MET CA A 76 MET C A 77 LYS N 1.0 -46.0 14.0 PSI 133 133 A 79 THR C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -96.0 -36.0 PHI 134 134 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 SER N 1.0 -66.0 -6.0 PSI 135 135 A 80 ASP C A 81 SER N A 81 SER CA A 81 SER C 1.0 -95.0 -35.0 PHI 136 136 A 81 SER N A 81 SER CA A 81 SER C A 82 GLU N 1.0 -67.0 -7.0 PSI 137 137 A 81 SER C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -95.0 -35.0 PHI 138 138 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 GLU N 1.0 -71.0 -11.0 PSI 139 139 A 82 GLU C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -92.0 -32.0 PHI 140 140 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 GLU N 1.0 -71.0 -11.0 PSI 141 141 A 83 GLU C A 84 GLU N A 84 GLU CA A 84 GLU C 1.0 -97.0 -37.0 PHI 142 142 A 84 GLU N A 84 GLU CA A 84 GLU C A 85 ILE N 1.0 -67.0 -7.0 PSI 143 143 A 84 GLU C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -97.0 -37.0 PHI 144 144 A 85 ILE N A 85 ILE CA A 85 ILE C A 86 ARG N 1.0 -69.0 -9.0 PSI 145 145 A 85 ILE C A 86 ARG N A 86 ARG CA A 86 ARG C 1.0 -92.0 -32.0 PHI 146 146 A 86 ARG N A 86 ARG CA A 86 ARG C A 87 GLU N 1.0 -72.0 -12.0 PSI 147 147 A 86 ARG C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -89.0 -29.0 PHI 148 148 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -75.0 -15.0 PSI 149 149 A 87 GLU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -98.0 -38.0 PHI 150 150 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PHE N 1.0 -73.0 -13.0 PSI 151 151 A 88 ALA C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -96.0 -36.0 PHI 152 152 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 ARG N 1.0 -66.0 -6.0 PSI 153 153 A 89 PHE C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -93.0 -33.0 PHI 154 154 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 VAL N 1.0 -70.0 -10.0 PSI 155 155 A 90 ARG C A 91 VAL N A 91 VAL CA A 91 VAL C 1.0 -102.0 -42.0 PHI 156 156 A 91 VAL N A 91 VAL CA A 91 VAL C A 92 PHE N 1.0 -69.0 -9.0 PSI 157 157 A 91 VAL C A 92 PHE N A 92 PHE CA A 92 PHE C 1.0 -120.0 -60.0 PHI 158 158 A 92 PHE N A 92 PHE CA A 92 PHE C A 93 ASP N 1.0 -44.0 16.0 PSI 159 159 A 93 ASP C A 94 LYS N A 94 LYS CA A 94 LYS C 1.0 -98.0 -38.0 PHI 160 160 A 94 LYS N A 94 LYS CA A 94 LYS C A 95 ASP N 1.0 -50.0 10.0 PSI 161 161 A 94 LYS C A 95 ASP N A 95 ASP CA A 95 ASP C 1.0 -129.0 -69.0 PHI 162 162 A 95 ASP N A 95 ASP CA A 95 ASP C A 96 GLY N 1.0 -24.0 36.0 PSI 163 163 A 95 ASP C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 53.0 113.0 PHI 164 164 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 ASN N 1.0 -21.0 39.0 PSI 165 165 A 97 ASN C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 58.0 118.0 PHI 166 166 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 TYR N 1.0 -28.0 32.0 PSI 167 167 A 98 GLY C A 99 TYR N A 99 TYR CA A 99 TYR C 1.0 -139.0 -79.0 PHI 168 168 A 99 TYR N A 99 TYR CA A 99 TYR C A 100 ILE N 1.0 132.0 192.0 PSI 169 169 A 99 TYR C A 100 ILE N A 100 ILE CA A 100 ILE C 1.0 -167.0 -107.0 PHI 170 170 A 100 ILE N A 100 ILE CA A 100 ILE C A 101 SER N 1.0 127.0 187.0 PSI 171 171 A 100 ILE C A 101 SER N A 101 SER CA A 101 SER C 1.0 -110.0 -50.0 PHI 172 172 A 101 SER N A 101 SER CA A 101 SER C A 102 ALA N 1.0 128.0 188.0 PSI 173 173 A 101 SER C A 102 ALA N A 102 ALA CA A 102 ALA C 1.0 -90.0 -30.0 PHI 174 174 A 102 ALA N A 102 ALA CA A 102 ALA C A 103 ALA N 1.0 -67.0 -7.0 PSI 175 175 A 102 ALA C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -94.0 -34.0 PHI 176 176 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 GLU N 1.0 -71.0 -11.0 PSI 177 177 A 103 ALA C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -96.0 -36.0 PHI 178 178 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 LEU N 1.0 -73.0 -13.0 PSI 179 179 A 104 GLU C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -94.0 -34.0 PHI 180 180 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 ARG N 1.0 -75.0 -15.0 PSI 181 181 A 105 LEU C A 106 ARG N A 106 ARG CA A 106 ARG C 1.0 -93.0 -33.0 PHI 182 182 A 106 ARG N A 106 ARG CA A 106 ARG C A 107 HIS N 1.0 -70.0 -10.0 PSI 183 183 A 106 ARG C A 107 HIS N A 107 HIS CA A 107 HIS C 1.0 -95.0 -35.0 PHI 184 184 A 107 HIS N A 107 HIS CA A 107 HIS C A 108 VAL N 1.0 -72.0 -12.0 PSI 185 185 A 107 HIS C A 108 VAL N A 108 VAL CA A 108 VAL C 1.0 -95.0 -35.0 PHI 186 186 A 108 VAL N A 108 VAL CA A 108 VAL C A 109 MET N 1.0 -71.0 -11.0 PSI 187 187 A 108 VAL C A 109 MET N A 109 MET CA A 109 MET C 1.0 -90.0 -30.0 PHI 188 188 A 109 MET N A 109 MET CA A 109 MET C A 110 THR N 1.0 -67.0 -7.0 PSI 189 189 A 109 MET C A 110 THR N A 110 THR CA A 110 THR C 1.0 -95.0 -35.0 PHI 190 190 A 110 THR N A 110 THR CA A 110 THR C A 111 ASN N 1.0 -63.0 -3.0 PSI 191 191 A 110 THR C A 111 ASN N A 111 ASN CA A 111 ASN C 1.0 -98.0 -38.0 PHI 192 192 A 111 ASN N A 111 ASN CA A 111 ASN C A 112 LEU N 1.0 -64.0 -4.0 PSI 193 193 A 116 LEU C A 117 THR N A 117 THR CA A 117 THR C 1.0 -119.0 -59.0 PHI 194 194 A 117 THR N A 117 THR CA A 117 THR C A 118 ASP N 1.0 136.0 196.0 PSI 195 195 A 117 THR C A 118 ASP N A 118 ASP CA A 118 ASP C 1.0 -91.0 -31.0 PHI 196 196 A 118 ASP N A 118 ASP CA A 118 ASP C A 119 GLU N 1.0 -69.0 -9.0 PSI 197 197 A 118 ASP C A 119 GLU N A 119 GLU CA A 119 GLU C 1.0 -95.0 -35.0 PHI 198 198 A 119 GLU N A 119 GLU CA A 119 GLU C A 120 GLU N 1.0 -73.0 -13.0 PSI 199 199 A 119 GLU C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -95.0 -35.0 PHI 200 200 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 VAL N 1.0 -71.0 -11.0 PSI 201 201 A 120 GLU C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -96.0 -36.0 PHI 202 202 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 ASP N 1.0 -72.0 -12.0 PSI 203 203 A 121 VAL C A 122 ASP N A 122 ASP CA A 122 ASP C 1.0 -91.0 -31.0 PHI 204 204 A 122 ASP N A 122 ASP CA A 122 ASP C A 123 GLU N 1.0 -73.0 -13.0 PSI 205 205 A 122 ASP C A 123 GLU N A 123 GLU CA A 123 GLU C 1.0 -97.0 -37.0 PHI 206 206 A 123 GLU N A 123 GLU CA A 123 GLU C A 124 MET N 1.0 -69.0 -9.0 PSI 207 207 A 123 GLU C A 124 MET N A 124 MET CA A 124 MET C 1.0 -94.0 -34.0 PHI 208 208 A 124 MET N A 124 MET CA A 124 MET C A 125 ILE N 1.0 -75.0 -15.0 PSI 209 209 A 124 MET C A 125 ILE N A 125 ILE CA A 125 ILE C 1.0 -95.0 -35.0 PHI 210 210 A 125 ILE N A 125 ILE CA A 125 ILE C A 126 ARG N 1.0 -73.0 -13.0 PSI 211 211 A 125 ILE C A 126 ARG N A 126 ARG CA A 126 ARG C 1.0 -92.0 -32.0 PHI 212 212 A 126 ARG N A 126 ARG CA A 126 ARG C A 127 GLU N 1.0 -70.0 -10.0 PSI 213 213 A 126 ARG C A 127 GLU N A 127 GLU CA A 127 GLU C 1.0 -98.0 -38.0 PHI 214 214 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 ALA N 1.0 -54.0 6.0 PSI 215 215 A 131 ASP C A 132 GLY N A 132 GLY CA A 132 GLY C 1.0 -91.0 -31.0 PHI 216 216 A 132 GLY N A 132 GLY CA A 132 GLY C A 133 ASP N 1.0 -60.0 0.0 PSI 217 217 A 132 GLY C A 133 ASP N A 133 ASP CA A 133 ASP C 1.0 -126.0 -66.0 PHI 218 218 A 133 ASP N A 133 ASP CA A 133 ASP C A 134 GLY N 1.0 -29.0 31.0 PSI 219 219 A 133 ASP C A 134 GLY N A 134 GLY CA A 134 GLY C 1.0 55.0 115.0 PHI 220 220 A 134 GLY N A 134 GLY CA A 134 GLY C A 135 GLN N 1.0 -21.0 39.0 PSI 221 221 A 134 GLY C A 135 GLN N A 135 GLN CA A 135 GLN C 1.0 -118.0 -58.0 PHI 222 222 A 135 GLN N A 135 GLN CA A 135 GLN C A 136 VAL N 1.0 110.0 170.0 PSI 223 223 A 135 GLN C A 136 VAL N A 136 VAL CA A 136 VAL C 1.0 -150.0 -90.0 PHI 224 224 A 136 VAL N A 136 VAL CA A 136 VAL C A 137 ASN N 1.0 110.0 170.0 PSI 225 225 A 136 VAL C A 137 ASN N A 137 ASN CA A 137 ASN C 1.0 -114.0 -54.0 PHI 226 226 A 137 ASN N A 137 ASN CA A 137 ASN C A 138 TYR N 1.0 100.0 160.0 PSI 227 227 A 137 ASN C A 138 TYR N A 138 TYR CA A 138 TYR C 1.0 -106.0 -46.0 PHI 228 228 A 138 TYR N A 138 TYR CA A 138 TYR C A 139 GLU N 1.0 -47.0 13.0 PSI 229 229 A 138 TYR C A 139 GLU N A 139 GLU CA A 139 GLU C 1.0 -95.0 -35.0 PHI 230 230 A 139 GLU N A 139 GLU CA A 139 GLU C A 140 GLU N 1.0 -72.0 -12.0 PSI 231 231 A 139 GLU C A 140 GLU N A 140 GLU CA A 140 GLU C 1.0 -89.0 -29.0 PHI 232 232 A 140 GLU N A 140 GLU CA A 140 GLU C A 141 PHE N 1.0 -71.0 -11.0 PSI 233 233 A 140 GLU C A 141 PHE N A 141 PHE CA A 141 PHE C 1.0 -96.0 -36.0 PHI 234 234 A 141 PHE N A 141 PHE CA A 141 PHE C A 142 VAL N 1.0 -71.0 -11.0 PSI 235 235 A 141 PHE C A 142 VAL N A 142 VAL CA A 142 VAL C 1.0 -91.0 -31.0 PHI 236 236 A 142 VAL N A 142 VAL CA A 142 VAL C A 143 GLN N 1.0 -74.0 -14.0 PSI 237 237 A 142 VAL C A 143 GLN N A 143 GLN CA A 143 GLN C 1.0 -92.0 -32.0 PHI 238 238 A 143 GLN N A 143 GLN CA A 143 GLN C A 144 MET N 1.0 -67.0 -7.0 PSI 239 239 A 143 GLN C A 144 MET N A 144 MET CA A 144 MET C 1.0 -94.0 -34.0 PHI 240 240 A 144 MET N A 144 MET CA A 144 MET C A 145 MET N 1.0 -72.0 -12.0 PSI 241 241 A 144 MET C A 145 MET N A 145 MET CA A 145 MET C 1.0 -99.0 -39.0 PHI 242 242 A 145 MET N A 145 MET CA A 145 MET C A 146 THR N 1.0 -64.0 -4.0 PSI stop_ save_