data_nef_c19709_2mj7 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB HR8998C PDB 2MJ7 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 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 GLN middle . . 13 A 13 GLU middle . . 14 A 14 LEU middle . . 15 A 15 PRO middle . false 16 A 16 ASP middle . . 17 A 17 SER middle . . 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 LEU middle . . 21 A 21 MET middle . . 22 A 22 LEU middle . . 23 A 23 VAL middle . . 24 A 24 PRO middle . false 25 A 25 ASN middle . . 26 A 26 ARG middle . . 27 A 27 GLN middle . . 28 A 28 LEU middle . . 29 A 29 THR middle . . 30 A 30 ALA middle . . 31 A 31 ASP middle . . 32 A 32 TYR middle . . 33 A 33 PHE middle . . 34 A 34 GLU middle . . 35 A 35 LYS middle . . 36 A 36 THR middle . . 37 A 37 TRP middle . . 38 A 38 LEU middle . . 39 A 39 SER middle . . 40 A 40 LEU middle . . 41 A 41 LYS middle . . 42 A 42 VAL middle . . 43 A 43 ALA middle . . 44 A 44 HIS middle . . 45 A 45 GLN middle . . 46 A 46 GLN middle . . 47 A 47 VAL middle . . 48 A 48 LEU middle . . 49 A 49 PRO middle . false 50 A 50 TRP middle . . 51 A 51 ARG middle . . 52 A 52 GLY middle . false 53 A 53 GLU middle . . 54 A 54 PHE middle . . 55 A 55 HIS middle . . 56 A 56 PRO middle . false 57 A 57 ASP middle . . 58 A 58 THR middle . . 59 A 59 LEU middle . . 60 A 60 GLN middle . . 61 A 61 MET middle . . 62 A 62 ALA middle . . 63 A 63 LEU middle . . 64 A 64 GLN middle . . 65 A 65 VAL middle . . 66 A 66 VAL middle . . 67 A 67 ASN middle . . 68 A 68 ILE middle . . 69 A 69 GLN middle . . 70 A 70 THR middle . . 71 A 71 ILE middle . . 72 A 72 ALA middle . . 73 A 73 MET middle . . 74 A 74 SER middle . . 75 A 75 ARG middle . . 76 A 76 ALA middle . . 77 A 77 GLY middle . false 78 A 78 SER middle . . 79 A 79 ARG middle . . 80 A 80 PRO middle . true 81 A 81 TRP middle . . 82 A 82 LYS middle . . 83 A 83 ALA middle . . 84 A 84 TYR middle . . 85 A 85 LEU middle . . 86 A 86 SER middle . . 87 A 87 ALA middle . . 88 A 88 GLN middle . . 89 A 89 ASP middle . . 90 A 90 ASP middle . . 91 A 91 THR middle . . 92 A 92 GLY middle . false 93 A 93 CYS middle . . 94 A 94 LEU middle . . 95 A 95 PHE middle . . 96 A 96 LEU middle . . 97 A 97 THR middle . . 98 A 98 GLU middle . . 99 A 99 LEU middle . . 100 A 100 LEU middle . . 101 A 101 LEU middle . . 102 A 102 GLU middle . . 103 A 103 PRO middle . false 104 A 104 GLY middle . false 105 A 105 ASN middle . . 106 A 106 SER middle . . 107 A 107 GLU middle . . 108 A 108 MET middle . . 109 A 109 GLN middle . . 110 A 110 ILE middle . . 111 A 111 SER middle . . 112 A 112 VAL middle . . 113 A 113 LYS middle . . 114 A 114 GLN middle . . 115 A 115 ASN middle . . 116 A 116 GLU middle . . 117 A 117 ALA middle . . 118 A 118 ARG middle . . 119 A 119 THR middle . . 120 A 120 GLU middle . . 121 A 121 THR middle . . 122 A 122 LEU middle . . 123 A 123 ASN middle . . 124 A 124 SER middle . . 125 A 125 PHE middle . . 126 A 126 ILE middle . . 127 A 127 SER middle . . 128 A 128 VAL middle . . 129 A 129 LEU middle . . 130 A 130 GLU middle . . 131 A 131 THR middle . . 132 A 132 VAL middle . . 133 A 133 ILE middle . . 134 A 134 GLY middle . false 135 A 135 THR middle . . 136 A 136 ILE middle . . 137 A 137 GLU middle . . 138 A 138 GLU middle . . 139 A 139 ILE middle . . 140 A 140 LYS middle . . 141 A 141 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 10 HIS HA H 1 4.652 0.02 A 10 HIS C C 13 174.939 0.2 A 10 HIS CA C 13 56.041 0.2 A 10 HIS CB C 13 29.734 0.2 A 11 MET H H 1 8.258 0.02 A 11 MET HA H 1 4.393 0.02 A 11 MET HBx H 1 1.934 0.02 A 11 MET HBy H 1 2.045 0.02 A 11 MET HE% H 1 2.050 0.02 A 11 MET HGx H 1 2.422 0.02 A 11 MET HGy H 1 2.481 0.02 A 11 MET C C 13 175.870 0.2 A 11 MET CA C 13 55.619 0.2 A 11 MET CB C 13 32.594 0.2 A 11 MET CE C 13 16.761 0.2 A 11 MET CG C 13 31.825 0.2 A 11 MET N N 15 120.762 0.2 A 12 GLN H H 1 8.361 0.02 A 12 GLN HA H 1 4.288 0.02 A 12 GLN HBy H 1 2.077 0.02 A 12 GLN HBx H 1 1.981 0.02 A 12 GLN HE2y H 1 7.552 0.02 A 12 GLN HE2x H 1 6.858 0.02 A 12 GLN HG2 H 1 2.339 0.02 A 12 GLN HG3 H 1 2.339 0.02 A 12 GLN C C 13 175.541 0.2 A 12 GLN CA C 13 55.927 0.2 A 12 GLN CB C 13 29.432 0.2 A 12 GLN CG C 13 33.640 0.2 A 12 GLN N N 15 120.771 0.2 A 12 GLN NE2 N 15 112.126 0.2 A 13 GLU H H 1 8.494 0.02 A 13 GLU HA H 1 4.276 0.02 A 13 GLU HBy H 1 2.026 0.02 A 13 GLU HBx H 1 1.912 0.02 A 13 GLU HG2 H 1 2.260 0.02 A 13 GLU HG3 H 1 2.260 0.02 A 13 GLU C C 13 175.989 0.2 A 13 GLU CA C 13 56.281 0.2 A 13 GLU CB C 13 30.163 0.2 A 13 GLU CG C 13 36.023 0.2 A 13 GLU N N 15 122.426 0.2 A 14 LEU H H 1 8.249 0.02 A 14 LEU HA H 1 4.619 0.02 A 14 LEU HBy H 1 1.602 0.02 A 14 LEU HBx H 1 1.550 0.02 A 14 LEU HD1% H 1 0.921 0.02 A 14 LEU HD2% H 1 0.897 0.02 A 14 LEU HG H 1 1.650 0.02 A 14 LEU C C 13 175.220 0.2 A 14 LEU CA C 13 52.686 0.2 A 14 LEU CB C 13 41.684 0.2 A 14 LEU CD1 C 13 25.228 0.2 A 14 LEU CD2 C 13 23.281 0.2 A 14 LEU CG C 13 27.038 0.2 A 14 LEU N N 15 123.928 0.2 A 15 PRO HA H 1 4.409 0.02 A 15 PRO HBx H 1 1.910 0.02 A 15 PRO HBy H 1 2.272 0.02 A 15 PRO HDy H 1 3.809 0.02 A 15 PRO HDx H 1 3.626 0.02 A 15 PRO HG2 H 1 2.006 0.02 A 15 PRO HG3 H 1 2.006 0.02 A 15 PRO C C 13 176.626 0.2 A 15 PRO CA C 13 62.919 0.2 A 15 PRO CB C 13 31.889 0.2 A 15 PRO CD C 13 50.449 0.2 A 15 PRO CG C 13 27.186 0.2 A 16 ASP H H 1 8.414 0.02 A 16 ASP HA H 1 4.590 0.02 A 16 ASP HBx H 1 2.669 0.02 A 16 ASP HBy H 1 2.717 0.02 A 16 ASP C C 13 176.523 0.2 A 16 ASP CA C 13 54.215 0.2 A 16 ASP CB C 13 41.083 0.2 A 16 ASP N N 15 120.298 0.2 A 17 SER H H 1 8.297 0.02 A 17 SER HA H 1 4.390 0.02 A 17 SER HBx H 1 3.865 0.02 A 17 SER HBy H 1 3.958 0.02 A 17 SER C C 13 175.156 0.2 A 17 SER CA C 13 58.731 0.2 A 17 SER CB C 13 63.728 0.2 A 17 SER N N 15 116.416 0.2 A 18 GLY H H 1 8.468 0.02 A 18 GLY HAx H 1 3.899 0.02 A 18 GLY HAy H 1 3.936 0.02 A 18 GLY C C 13 173.811 0.2 A 18 GLY CA C 13 45.303 0.2 A 18 GLY N N 15 110.646 0.2 A 19 ALA H H 1 8.001 0.02 A 19 ALA HA H 1 4.265 0.02 A 19 ALA HB% H 1 1.350 0.02 A 19 ALA C C 13 176.971 0.2 A 19 ALA CA C 13 52.196 0.2 A 19 ALA CB C 13 19.383 0.2 A 19 ALA N N 15 123.544 0.2 A 20 LEU H H 1 8.044 0.02 A 20 LEU HA H 1 4.408 0.02 A 20 LEU HBx H 1 1.480 0.02 A 20 LEU HBy H 1 1.761 0.02 A 20 LEU HD1% H 1 1.083 0.02 A 20 LEU HD2% H 1 0.851 0.02 A 20 LEU HG H 1 1.491 0.02 A 20 LEU C C 13 175.373 0.2 A 20 LEU CA C 13 54.929 0.2 A 20 LEU CB C 13 43.282 0.2 A 20 LEU CD1 C 13 24.496 0.2 A 20 LEU CD2 C 13 25.757 0.2 A 20 LEU CG C 13 27.093 0.2 A 20 LEU N N 15 121.884 0.2 A 21 MET H H 1 8.922 0.02 A 21 MET HA H 1 4.667 0.02 A 21 MET HBx H 1 2.020 0.02 A 21 MET HBy H 1 2.086 0.02 A 21 MET HE% H 1 2.098 0.02 A 21 MET HG2 H 1 2.516 0.02 A 21 MET HG3 H 1 2.516 0.02 A 21 MET C C 13 174.512 0.2 A 21 MET CA C 13 54.244 0.2 A 21 MET CB C 13 32.296 0.2 A 21 MET CE C 13 17.108 0.2 A 21 MET CG C 13 32.199 0.2 A 21 MET N N 15 127.997 0.2 A 22 LEU H H 1 8.265 0.02 A 22 LEU HA H 1 4.950 0.02 A 22 LEU HBx H 1 1.766 0.02 A 22 LEU HBy H 1 2.070 0.02 A 22 LEU HD1% H 1 1.082 0.02 A 22 LEU HD2% H 1 0.847 0.02 A 22 LEU HG H 1 1.809 0.02 A 22 LEU C C 13 177.936 0.2 A 22 LEU CA C 13 53.886 0.2 A 22 LEU CB C 13 41.009 0.2 A 22 LEU CD1 C 13 25.022 0.2 A 22 LEU CD2 C 13 22.743 0.2 A 22 LEU N N 15 123.588 0.2 A 23 VAL H H 1 8.768 0.02 A 23 VAL HA H 1 4.600 0.02 A 23 VAL HB H 1 2.193 0.02 A 23 VAL HG1% H 1 1.004 0.02 A 23 VAL HG2% H 1 0.860 0.02 A 23 VAL CA C 13 59.081 0.2 A 23 VAL CB C 13 31.906 0.2 A 23 VAL CG1 C 13 21.223 0.2 A 23 VAL CG2 C 13 18.844 0.2 A 23 VAL N N 15 119.613 0.2 A 24 PRO HA H 1 4.464 0.02 A 24 PRO HBy H 1 2.228 0.02 A 24 PRO HBx H 1 1.956 0.02 A 24 PRO HD2 H 1 3.753 0.02 A 24 PRO HD3 H 1 3.753 0.02 A 24 PRO HGy H 1 2.073 0.02 A 24 PRO HGx H 1 2.021 0.02 A 24 PRO C C 13 176.412 0.2 A 24 PRO CA C 13 62.671 0.2 A 24 PRO CB C 13 32.179 0.2 A 24 PRO CD C 13 50.463 0.2 A 24 PRO CG C 13 26.734 0.2 A 25 ASN H H 1 8.536 0.02 A 25 ASN HA H 1 4.532 0.02 A 25 ASN HBy H 1 2.921 0.02 A 25 ASN HBx H 1 2.782 0.02 A 25 ASN HD21 H 1 7.608 0.02 A 25 ASN HD22 H 1 6.874 0.02 A 25 ASN C C 13 174.644 0.2 A 25 ASN CA C 13 53.649 0.2 A 25 ASN CB C 13 38.361 0.2 A 25 ASN N N 15 115.330 0.2 A 25 ASN ND2 N 15 112.710 0.2 A 26 ARG H H 1 8.443 0.02 A 26 ARG HA H 1 4.473 0.02 A 26 ARG HBy H 1 1.822 0.02 A 26 ARG HBx H 1 1.635 0.02 A 26 ARG HDy H 1 3.164 0.02 A 26 ARG HDx H 1 3.109 0.02 A 26 ARG HGy H 1 1.576 0.02 A 26 ARG HGx H 1 1.499 0.02 A 26 ARG C C 13 175.619 0.2 A 26 ARG CA C 13 54.530 0.2 A 26 ARG CB C 13 29.928 0.2 A 26 ARG CD C 13 42.866 0.2 A 26 ARG CG C 13 26.489 0.2 A 26 ARG N N 15 120.449 0.2 A 27 GLN H H 1 8.404 0.02 A 27 GLN HA H 1 4.273 0.02 A 27 GLN HBx H 1 1.926 0.02 A 27 GLN HBy H 1 1.992 0.02 A 27 GLN HE21 H 1 7.473 0.02 A 27 GLN HE22 H 1 6.807 0.02 A 27 GLN HG2 H 1 2.277 0.02 A 27 GLN HG3 H 1 2.277 0.02 A 27 GLN C C 13 175.629 0.2 A 27 GLN CA C 13 55.956 0.2 A 27 GLN CB C 13 29.541 0.2 A 27 GLN CG C 13 33.693 0.2 A 27 GLN N N 15 121.289 0.2 A 27 GLN NE2 N 15 111.538 0.2 A 28 LEU H H 1 8.393 0.02 A 28 LEU HA H 1 4.646 0.02 A 28 LEU HB2 H 1 1.717 0.02 A 28 LEU HB3 H 1 1.790 0.02 A 28 LEU HD1% H 1 1.084 0.02 A 28 LEU HD2% H 1 0.925 0.02 A 28 LEU HG H 1 1.909 0.02 A 28 LEU C C 13 177.356 0.2 A 28 LEU CA C 13 54.110 0.2 A 28 LEU CB C 13 43.953 0.2 A 28 LEU CD1 C 13 25.374 0.2 A 28 LEU CD2 C 13 23.493 0.2 A 28 LEU CG C 13 27.597 0.2 A 28 LEU N N 15 123.868 0.2 A 29 THR H H 1 8.018 0.02 A 29 THR HA H 1 4.523 0.02 A 29 THR HB H 1 4.705 0.02 A 29 THR HG2% H 1 1.362 0.02 A 29 THR C C 13 175.562 0.2 A 29 THR CA C 13 60.189 0.2 A 29 THR CB C 13 70.741 0.2 A 29 THR CG2 C 13 22.081 0.2 A 29 THR N N 15 110.687 0.2 A 30 ALA H H 1 9.031 0.02 A 30 ALA HA H 1 3.964 0.02 A 30 ALA HB% H 1 1.447 0.02 A 30 ALA C C 13 179.640 0.2 A 30 ALA CA C 13 55.596 0.2 A 30 ALA CB C 13 17.636 0.2 A 30 ALA N N 15 124.281 0.2 A 31 ASP H H 1 8.561 0.02 A 31 ASP HA H 1 4.412 0.02 A 31 ASP HB2 H 1 2.653 0.02 A 31 ASP HB3 H 1 2.653 0.02 A 31 ASP C C 13 177.996 0.2 A 31 ASP CA C 13 56.976 0.2 A 31 ASP CB C 13 40.762 0.2 A 31 ASP N N 15 116.043 0.2 A 32 TYR H H 1 7.838 0.02 A 32 TYR HA H 1 4.158 0.02 A 32 TYR HBx H 1 3.042 0.02 A 32 TYR HBy H 1 3.150 0.02 A 32 TYR HD1 H 1 7.040 0.02 A 32 TYR HD2 H 1 7.040 0.02 A 32 TYR HE1 H 1 6.719 0.02 A 32 TYR HE2 H 1 6.719 0.02 A 32 TYR C C 13 179.384 0.2 A 32 TYR CA C 13 61.251 0.2 A 32 TYR CB C 13 38.780 0.2 A 32 TYR CD1 C 13 132.593 0.2 A 32 TYR CE1 C 13 118.354 0.2 A 32 TYR N N 15 121.234 0.2 A 33 PHE H H 1 8.921 0.02 A 33 PHE HA H 1 3.621 0.02 A 33 PHE HB2 H 1 2.934 0.02 A 33 PHE HB3 H 1 3.369 0.02 A 33 PHE HD1 H 1 6.813 0.02 A 33 PHE HD2 H 1 6.813 0.02 A 33 PHE HE1 H 1 6.904 0.02 A 33 PHE HE2 H 1 6.904 0.02 A 33 PHE C C 13 176.181 0.2 A 33 PHE CA C 13 62.645 0.2 A 33 PHE CB C 13 39.301 0.2 A 33 PHE CD1 C 13 131.648 0.2 A 33 PHE CE1 C 13 131.455 0.2 A 33 PHE N N 15 121.952 0.2 A 34 GLU H H 1 8.625 0.02 A 34 GLU HA H 1 3.805 0.02 A 34 GLU HBx H 1 2.091 0.02 A 34 GLU HBy H 1 2.184 0.02 A 34 GLU HGx H 1 2.189 0.02 A 34 GLU HGy H 1 2.393 0.02 A 34 GLU C C 13 178.060 0.2 A 34 GLU CA C 13 60.090 0.2 A 34 GLU CB C 13 29.559 0.2 A 34 GLU CG C 13 36.350 0.2 A 34 GLU N N 15 119.032 0.2 A 35 LYS H H 1 7.762 0.02 A 35 LYS HA H 1 3.915 0.02 A 35 LYS HBx H 1 1.727 0.02 A 35 LYS HBy H 1 1.790 0.02 A 35 LYS HD2 H 1 1.593 0.02 A 35 LYS HD3 H 1 1.593 0.02 A 35 LYS HE2 H 1 2.920 0.02 A 35 LYS HE3 H 1 2.920 0.02 A 35 LYS HGx H 1 1.402 0.02 A 35 LYS HGy H 1 1.468 0.02 A 35 LYS C C 13 179.363 0.2 A 35 LYS CA C 13 59.076 0.2 A 35 LYS CB C 13 32.239 0.2 A 35 LYS CD C 13 29.120 0.2 A 35 LYS CE C 13 41.898 0.2 A 35 LYS CG C 13 24.999 0.2 A 35 LYS N N 15 116.782 0.2 A 36 THR H H 1 7.790 0.02 A 36 THR HA H 1 3.584 0.02 A 36 THR HB H 1 3.649 0.02 A 36 THR HG2% H 1 0.929 0.02 A 36 THR C C 13 176.288 0.2 A 36 THR CA C 13 66.534 0.2 A 36 THR CB C 13 67.472 0.2 A 36 THR CG2 C 13 21.253 0.2 A 36 THR N N 15 117.004 0.2 A 37 TRP H H 1 9.218 0.02 A 37 TRP HA H 1 3.543 0.02 A 37 TRP HB2 H 1 2.681 0.02 A 37 TRP HB3 H 1 3.101 0.02 A 37 TRP HD1 H 1 7.009 0.02 A 37 TRP HE1 H 1 10.427 0.02 A 37 TRP HE3 H 1 7.112 0.02 A 37 TRP HH2 H 1 7.237 0.02 A 37 TRP HZ2 H 1 7.575 0.02 A 37 TRP HZ3 H 1 7.025 0.02 A 37 TRP C C 13 178.252 0.2 A 37 TRP CA C 13 61.121 0.2 A 37 TRP CB C 13 29.080 0.2 A 37 TRP CD1 C 13 127.125 0.2 A 37 TRP CE3 C 13 120.595 0.2 A 37 TRP CH2 C 13 125.737 0.2 A 37 TRP CZ2 C 13 114.968 0.2 A 37 TRP CZ3 C 13 120.942 0.2 A 37 TRP N N 15 123.624 0.2 A 37 TRP NE1 N 15 129.969 0.2 A 38 LEU H H 1 7.879 0.02 A 38 LEU HA H 1 3.987 0.02 A 38 LEU HB2 H 1 1.794 0.02 A 38 LEU HB3 H 1 1.537 0.02 A 38 LEU HD1% H 1 0.927 0.02 A 38 LEU HD2% H 1 0.978 0.02 A 38 LEU HG H 1 1.965 0.02 A 38 LEU C C 13 178.154 0.2 A 38 LEU CA C 13 56.656 0.2 A 38 LEU CB C 13 42.024 0.2 A 38 LEU CD1 C 13 25.365 0.2 A 38 LEU CD2 C 13 22.882 0.2 A 38 LEU CG C 13 26.750 0.2 A 38 LEU N N 15 115.245 0.2 A 39 SER H H 1 7.328 0.02 A 39 SER HA H 1 4.355 0.02 A 39 SER HBy H 1 3.978 0.02 A 39 SER HBx H 1 3.867 0.02 A 39 SER C C 13 173.363 0.2 A 39 SER CA C 13 59.049 0.2 A 39 SER CB C 13 64.365 0.2 A 39 SER N N 15 112.663 0.2 A 40 LEU H H 1 6.859 0.02 A 40 LEU HA H 1 4.640 0.02 A 40 LEU HB2 H 1 1.327 0.02 A 40 LEU HB3 H 1 1.327 0.02 A 40 LEU HD1% H 1 0.413 0.02 A 40 LEU HD2% H 1 0.843 0.02 A 40 LEU HG H 1 1.727 0.02 A 40 LEU C C 13 176.331 0.2 A 40 LEU CA C 13 53.103 0.2 A 40 LEU CB C 13 45.734 0.2 A 40 LEU CD1 C 13 25.828 0.2 A 40 LEU CD2 C 13 22.098 0.2 A 40 LEU CG C 13 25.795 0.2 A 40 LEU N N 15 121.545 0.2 A 41 LYS H H 1 8.547 0.02 A 41 LYS HA H 1 4.326 0.02 A 41 LYS HBy H 1 1.773 0.02 A 41 LYS HBx H 1 1.676 0.02 A 41 LYS HD2 H 1 1.633 0.02 A 41 LYS HD3 H 1 1.633 0.02 A 41 LYS HE2 H 1 2.973 0.02 A 41 LYS HE3 H 1 2.973 0.02 A 41 LYS HG2 H 1 1.405 0.02 A 41 LYS HG3 H 1 1.405 0.02 A 41 LYS C C 13 176.651 0.2 A 41 LYS CA C 13 54.573 0.2 A 41 LYS CB C 13 33.209 0.2 A 41 LYS CD C 13 28.772 0.2 A 41 LYS CE C 13 42.027 0.2 A 41 LYS CG C 13 24.648 0.2 A 41 LYS N N 15 121.830 0.2 A 42 VAL H H 1 8.451 0.02 A 42 VAL HA H 1 3.455 0.02 A 42 VAL HB H 1 1.953 0.02 A 42 VAL HG1% H 1 0.904 0.02 A 42 VAL HG2% H 1 0.912 0.02 A 42 VAL C C 13 175.238 0.2 A 42 VAL CA C 13 64.904 0.2 A 42 VAL CB C 13 31.961 0.2 A 42 VAL CG1 C 13 21.970 0.2 A 42 VAL CG2 C 13 22.924 0.2 A 42 VAL N N 15 120.486 0.2 A 43 ALA H H 1 9.047 0.02 A 43 ALA HA H 1 4.604 0.02 A 43 ALA HB% H 1 1.576 0.02 A 43 ALA C C 13 177.416 0.2 A 43 ALA CA C 13 52.514 0.2 A 43 ALA CB C 13 20.566 0.2 A 43 ALA N N 15 131.312 0.2 A 44 HIS H H 1 7.973 0.02 A 44 HIS HA H 1 4.769 0.02 A 44 HIS HBy H 1 3.196 0.02 A 44 HIS HBx H 1 2.677 0.02 A 44 HIS HD2 H 1 6.555 0.02 A 44 HIS HE1 H 1 7.913 0.02 A 44 HIS C C 13 172.487 0.2 A 44 HIS CA C 13 56.639 0.2 A 44 HIS CB C 13 34.453 0.2 A 44 HIS CD2 C 13 118.019 0.2 A 44 HIS CE1 C 13 139.115 0.2 A 44 HIS N N 15 116.975 0.2 A 44 HIS ND1 N 15 226.383 0.2 A 44 HIS NE2 N 15 179.723 0.2 A 45 GLN H H 1 8.047 0.02 A 45 GLN HA H 1 5.569 0.02 A 45 GLN HBy H 1 1.970 0.02 A 45 GLN HBx H 1 1.883 0.02 A 45 GLN HE21 H 1 7.539 0.02 A 45 GLN HE22 H 1 6.797 0.02 A 45 GLN HGx H 1 2.246 0.02 A 45 GLN HGy H 1 2.371 0.02 A 45 GLN C C 13 173.629 0.2 A 45 GLN CA C 13 54.264 0.2 A 45 GLN CB C 13 32.980 0.2 A 45 GLN CG C 13 34.164 0.2 A 45 GLN N N 15 127.069 0.2 A 45 GLN NE2 N 15 111.255 0.2 A 46 GLN H H 1 8.816 0.02 A 46 GLN HA H 1 4.743 0.02 A 46 GLN HBy H 1 2.193 0.02 A 46 GLN HBx H 1 2.011 0.02 A 46 GLN HE2y H 1 7.160 0.02 A 46 GLN HE2x H 1 7.054 0.02 A 46 GLN HGx H 1 2.122 0.02 A 46 GLN HGy H 1 2.250 0.02 A 46 GLN C C 13 173.042 0.2 A 46 GLN CA C 13 54.581 0.2 A 46 GLN CB C 13 33.550 0.2 A 46 GLN CG C 13 33.603 0.2 A 46 GLN N N 15 120.724 0.2 A 46 GLN NE2 N 15 113.662 0.2 A 47 VAL H H 1 8.500 0.02 A 47 VAL HA H 1 5.214 0.02 A 47 VAL HB H 1 1.923 0.02 A 47 VAL HG1% H 1 0.853 0.02 A 47 VAL HG2% H 1 0.894 0.02 A 47 VAL C C 13 175.775 0.2 A 47 VAL CA C 13 60.403 0.2 A 47 VAL CB C 13 33.986 0.2 A 47 VAL CG1 C 13 21.579 0.2 A 47 VAL CG2 C 13 20.068 0.2 A 47 VAL N N 15 119.172 0.2 A 48 LEU H H 1 9.193 0.02 A 48 LEU HA H 1 5.050 0.02 A 48 LEU HB2 H 1 1.774 0.02 A 48 LEU HB3 H 1 1.579 0.02 A 48 LEU HD1% H 1 0.938 0.02 A 48 LEU HD2% H 1 0.989 0.02 A 48 LEU HG H 1 1.700 0.02 A 48 LEU C C 13 173.640 0.2 A 48 LEU CA C 13 51.745 0.2 A 48 LEU CB C 13 44.609 0.2 A 48 LEU CD1 C 13 25.699 0.2 A 48 LEU CD2 C 13 24.675 0.2 A 48 LEU CG C 13 27.080 0.2 A 48 LEU N N 15 126.800 0.2 A 49 PRO HA H 1 4.628 0.02 A 49 PRO HBy H 1 2.366 0.02 A 49 PRO HBx H 1 1.866 0.02 A 49 PRO HD2 H 1 3.712 0.02 A 49 PRO HD3 H 1 3.885 0.02 A 49 PRO HGy H 1 2.144 0.02 A 49 PRO HGx H 1 2.057 0.02 A 49 PRO C C 13 175.451 0.2 A 49 PRO CA C 13 63.153 0.2 A 49 PRO CB C 13 31.900 0.2 A 49 PRO CD C 13 50.477 0.2 A 49 PRO CG C 13 27.422 0.2 A 50 TRP H H 1 8.266 0.02 A 50 TRP HA H 1 4.576 0.02 A 50 TRP HBx H 1 2.801 0.02 A 50 TRP HBy H 1 2.911 0.02 A 50 TRP HD1 H 1 6.954 0.02 A 50 TRP HE1 H 1 8.945 0.02 A 50 TRP HE3 H 1 7.436 0.02 A 50 TRP HH2 H 1 6.879 0.02 A 50 TRP HZ2 H 1 7.185 0.02 A 50 TRP HZ3 H 1 6.949 0.02 A 50 TRP C C 13 175.213 0.2 A 50 TRP CA C 13 56.976 0.2 A 50 TRP CB C 13 30.757 0.2 A 50 TRP CD1 C 13 127.110 0.2 A 50 TRP CE3 C 13 120.220 0.2 A 50 TRP CH2 C 13 123.653 0.2 A 50 TRP CZ2 C 13 114.243 0.2 A 50 TRP CZ3 C 13 121.557 0.2 A 50 TRP N N 15 123.332 0.2 A 50 TRP NE1 N 15 127.482 0.2 A 51 ARG H H 1 7.891 0.02 A 51 ARG HA H 1 4.373 0.02 A 51 ARG HBx H 1 1.479 0.02 A 51 ARG HBy H 1 1.697 0.02 A 51 ARG HDx H 1 3.073 0.02 A 51 ARG HDy H 1 3.115 0.02 A 51 ARG HGx H 1 1.440 0.02 A 51 ARG HGy H 1 1.472 0.02 A 51 ARG C C 13 175.686 0.2 A 51 ARG CA C 13 55.266 0.2 A 51 ARG CB C 13 31.378 0.2 A 51 ARG CD C 13 43.013 0.2 A 51 ARG CG C 13 26.996 0.2 A 51 ARG N N 15 126.466 0.2 A 52 GLY H H 1 7.645 0.02 A 52 GLY HAx H 1 3.852 0.02 A 52 GLY HAy H 1 3.933 0.02 A 52 GLY C C 13 173.650 0.2 A 52 GLY CA C 13 44.357 0.2 A 52 GLY N N 15 108.087 0.2 A 53 GLU H H 1 8.384 0.02 A 53 GLU HA H 1 4.225 0.02 A 53 GLU HB2 H 1 1.873 0.02 A 53 GLU HB3 H 1 1.873 0.02 A 53 GLU HGy H 1 2.274 0.02 A 53 GLU HGx H 1 2.176 0.02 A 53 GLU C C 13 176.032 0.2 A 53 GLU CA C 13 56.144 0.2 A 53 GLU CB C 13 30.507 0.2 A 53 GLU CG C 13 36.154 0.2 A 53 GLU N N 15 119.583 0.2 A 54 PHE H H 1 8.347 0.02 A 54 PHE HA H 1 4.633 0.02 A 54 PHE HBx H 1 2.490 0.02 A 54 PHE HBy H 1 2.631 0.02 A 54 PHE HD1 H 1 6.336 0.02 A 54 PHE HD2 H 1 6.336 0.02 A 54 PHE HE1 H 1 5.950 0.02 A 54 PHE HE2 H 1 5.950 0.02 A 54 PHE HZ H 1 5.334 0.02 A 54 PHE C C 13 173.939 0.2 A 54 PHE CA C 13 57.013 0.2 A 54 PHE CB C 13 40.140 0.2 A 54 PHE CD1 C 13 130.910 0.2 A 54 PHE CE1 C 13 129.848 0.2 A 54 PHE CZ C 13 128.478 0.2 A 54 PHE N N 15 122.192 0.2 A 55 HIS H H 1 8.424 0.02 A 55 HIS HA H 1 4.887 0.02 A 55 HIS HBx H 1 3.112 0.02 A 55 HIS HBy H 1 3.232 0.02 A 55 HIS HD2 H 1 7.188 0.02 A 55 HIS HE1 H 1 8.262 0.02 A 55 HIS CA C 13 52.559 0.2 A 55 HIS CB C 13 29.876 0.2 A 55 HIS CD2 C 13 119.182 0.2 A 55 HIS CE1 C 13 137.222 0.2 A 55 HIS N N 15 124.969 0.2 A 55 HIS ND1 N 15 203.229 0.2 A 55 HIS NE2 N 15 172.653 0.2 A 56 PRO HA H 1 3.821 0.02 A 56 PRO HBy H 1 2.337 0.02 A 56 PRO HBx H 1 2.196 0.02 A 56 PRO HDx H 1 3.060 0.02 A 56 PRO HDy H 1 3.612 0.02 A 56 PRO HGy H 1 2.068 0.02 A 56 PRO HGx H 1 1.700 0.02 A 56 PRO C C 13 177.224 0.2 A 56 PRO CA C 13 65.238 0.2 A 56 PRO CB C 13 32.242 0.2 A 56 PRO CD C 13 50.425 0.2 A 56 PRO CG C 13 27.093 0.2 A 57 ASP H H 1 8.990 0.02 A 57 ASP HA H 1 4.414 0.02 A 57 ASP HBy H 1 2.739 0.02 A 57 ASP HBx H 1 2.634 0.02 A 57 ASP C C 13 178.743 0.2 A 57 ASP CA C 13 56.966 0.2 A 57 ASP CB C 13 39.134 0.2 A 57 ASP N N 15 116.441 0.2 A 58 THR H H 1 7.602 0.02 A 58 THR HA H 1 4.018 0.02 A 58 THR HB H 1 4.297 0.02 A 58 THR HG2% H 1 1.297 0.02 A 58 THR C C 13 176.886 0.2 A 58 THR CA C 13 65.478 0.2 A 58 THR CB C 13 68.347 0.2 A 58 THR CG2 C 13 22.310 0.2 A 58 THR N N 15 116.145 0.2 A 59 LEU H H 1 7.427 0.02 A 59 LEU HA H 1 4.094 0.02 A 59 LEU HBx H 1 1.411 0.02 A 59 LEU HBy H 1 2.036 0.02 A 59 LEU HD1% H 1 0.848 0.02 A 59 LEU HD2% H 1 0.905 0.02 A 59 LEU HG H 1 1.600 0.02 A 59 LEU C C 13 176.993 0.2 A 59 LEU CA C 13 58.058 0.2 A 59 LEU CB C 13 41.179 0.2 A 59 LEU CD1 C 13 23.296 0.2 A 59 LEU CD2 C 13 26.039 0.2 A 59 LEU CG C 13 27.055 0.2 A 59 LEU N N 15 122.480 0.2 A 60 GLN H H 1 8.518 0.02 A 60 GLN HA H 1 3.880 0.02 A 60 GLN HBx H 1 2.206 0.02 A 60 GLN HBy H 1 2.304 0.02 A 60 GLN HE21 H 1 7.223 0.02 A 60 GLN HE22 H 1 6.804 0.02 A 60 GLN HGx H 1 2.451 0.02 A 60 GLN HGy H 1 2.646 0.02 A 60 GLN C C 13 179.363 0.2 A 60 GLN CA C 13 60.084 0.2 A 60 GLN CB C 13 28.067 0.2 A 60 GLN CG C 13 33.266 0.2 A 60 GLN N N 15 118.145 0.2 A 60 GLN NE2 N 15 110.209 0.2 A 61 MET H H 1 7.936 0.02 A 61 MET HA H 1 4.236 0.02 A 61 MET HB2 H 1 2.178 0.02 A 61 MET HB3 H 1 2.178 0.02 A 61 MET HE% H 1 2.098 0.02 A 61 MET HGy H 1 2.760 0.02 A 61 MET HGx H 1 2.652 0.02 A 61 MET C C 13 177.740 0.2 A 61 MET CA C 13 58.391 0.2 A 61 MET CB C 13 32.264 0.2 A 61 MET CE C 13 16.805 0.2 A 61 MET CG C 13 31.963 0.2 A 61 MET N N 15 118.135 0.2 A 62 ALA H H 1 7.942 0.02 A 62 ALA HA H 1 4.150 0.02 A 62 ALA HB% H 1 1.460 0.02 A 62 ALA C C 13 180.345 0.2 A 62 ALA CA C 13 54.897 0.2 A 62 ALA CB C 13 18.493 0.2 A 62 ALA N N 15 122.524 0.2 A 63 LEU H H 1 8.154 0.02 A 63 LEU HA H 1 4.035 0.02 A 63 LEU HBx H 1 1.509 0.02 A 63 LEU HBy H 1 1.926 0.02 A 63 LEU HD1% H 1 0.756 0.02 A 63 LEU HD2% H 1 0.714 0.02 A 63 LEU HG H 1 1.774 0.02 A 63 LEU C C 13 178.594 0.2 A 63 LEU CA C 13 56.811 0.2 A 63 LEU CB C 13 40.843 0.2 A 63 LEU CD1 C 13 27.318 0.2 A 63 LEU CD2 C 13 22.958 0.2 A 63 LEU CG C 13 26.714 0.2 A 63 LEU N N 15 116.706 0.2 A 64 GLN H H 1 7.978 0.02 A 64 GLN HA H 1 4.060 0.02 A 64 GLN HBx H 1 2.311 0.02 A 64 GLN HBy H 1 2.399 0.02 A 64 GLN HE21 H 1 7.517 0.02 A 64 GLN HE22 H 1 6.949 0.02 A 64 GLN HGx H 1 2.527 0.02 A 64 GLN HGy H 1 2.572 0.02 A 64 GLN C C 13 180.153 0.2 A 64 GLN CA C 13 59.008 0.2 A 64 GLN CB C 13 28.453 0.2 A 64 GLN CG C 13 34.272 0.2 A 64 GLN N N 15 119.895 0.2 A 64 GLN NE2 N 15 111.825 0.2 A 65 VAL H H 1 7.599 0.02 A 65 VAL HA H 1 3.871 0.02 A 65 VAL HB H 1 2.285 0.02 A 65 VAL HG1% H 1 1.031 0.02 A 65 VAL HG2% H 1 1.182 0.02 A 65 VAL C C 13 177.291 0.2 A 65 VAL CA C 13 65.582 0.2 A 65 VAL CB C 13 31.724 0.2 A 65 VAL CG1 C 13 21.246 0.2 A 65 VAL CG2 C 13 22.277 0.2 A 65 VAL N N 15 117.631 0.2 A 66 VAL H H 1 6.972 0.02 A 66 VAL HA H 1 4.523 0.02 A 66 VAL HB H 1 2.530 0.02 A 66 VAL HG1% H 1 0.879 0.02 A 66 VAL HG2% H 1 0.931 0.02 A 66 VAL C C 13 174.302 0.2 A 66 VAL CA C 13 59.913 0.2 A 66 VAL CB C 13 30.179 0.2 A 66 VAL CG1 C 13 21.616 0.2 A 66 VAL CG2 C 13 19.510 0.2 A 66 VAL N N 15 109.403 0.2 A 67 ASN H H 1 7.835 0.02 A 67 ASN HA H 1 4.301 0.02 A 67 ASN HBx H 1 2.741 0.02 A 67 ASN HBy H 1 3.169 0.02 A 67 ASN HD2y H 1 7.153 0.02 A 67 ASN HD2x H 1 7.102 0.02 A 67 ASN C C 13 173.594 0.2 A 67 ASN CA C 13 54.931 0.2 A 67 ASN CB C 13 35.487 0.2 A 67 ASN N N 15 110.676 0.2 A 67 ASN ND2 N 15 113.714 0.2 A 68 ILE H H 1 8.080 0.02 A 68 ILE HA H 1 4.561 0.02 A 68 ILE HB H 1 1.702 0.02 A 68 ILE HD1% H 1 0.631 0.02 A 68 ILE HG1y H 1 1.803 0.02 A 68 ILE HG1x H 1 0.915 0.02 A 68 ILE HG2% H 1 0.942 0.02 A 68 ILE C C 13 174.772 0.2 A 68 ILE CA C 13 61.803 0.2 A 68 ILE CB C 13 37.985 0.2 A 68 ILE CD1 C 13 13.733 0.2 A 68 ILE CG1 C 13 28.124 0.2 A 68 ILE CG2 C 13 18.942 0.2 A 68 ILE N N 15 119.011 0.2 A 69 GLN H H 1 9.162 0.02 A 69 GLN HA H 1 4.430 0.02 A 69 GLN HBx H 1 2.148 0.02 A 69 GLN HBy H 1 2.199 0.02 A 69 GLN HE21 H 1 7.528 0.02 A 69 GLN HE22 H 1 7.207 0.02 A 69 GLN HGx H 1 2.254 0.02 A 69 GLN HGy H 1 2.508 0.02 A 69 GLN C C 13 176.284 0.2 A 69 GLN CA C 13 54.749 0.2 A 69 GLN CB C 13 29.811 0.2 A 69 GLN CG C 13 33.198 0.2 A 69 GLN N N 15 127.629 0.2 A 69 GLN NE2 N 15 110.389 0.2 A 70 THR H H 1 8.779 0.02 A 70 THR HA H 1 4.438 0.02 A 70 THR HB H 1 4.021 0.02 A 70 THR HG1 H 1 5.402 0.02 A 70 THR HG2% H 1 0.994 0.02 A 70 THR C C 13 174.683 0.2 A 70 THR CA C 13 63.216 0.2 A 70 THR CB C 13 68.358 0.2 A 70 THR CG2 C 13 21.257 0.2 A 70 THR N N 15 122.178 0.2 A 71 ILE H H 1 9.141 0.02 A 71 ILE HA H 1 3.862 0.02 A 71 ILE HB H 1 1.322 0.02 A 71 ILE HD1% H 1 0.653 0.02 A 71 ILE HG1x H 1 0.910 0.02 A 71 ILE HG1y H 1 1.147 0.02 A 71 ILE HG2% H 1 0.538 0.02 A 71 ILE C C 13 175.900 0.2 A 71 ILE CA C 13 60.747 0.2 A 71 ILE CB C 13 36.851 0.2 A 71 ILE CD1 C 13 10.885 0.2 A 71 ILE CG1 C 13 27.097 0.2 A 71 ILE CG2 C 13 16.303 0.2 A 71 ILE N N 15 130.442 0.2 A 72 ALA H H 1 7.459 0.02 A 72 ALA HA H 1 4.460 0.02 A 72 ALA HB% H 1 1.239 0.02 A 72 ALA C C 13 175.028 0.2 A 72 ALA CA C 13 51.529 0.2 A 72 ALA CB C 13 22.259 0.2 A 72 ALA N N 15 118.730 0.2 A 73 MET H H 1 8.333 0.02 A 73 MET HA H 1 4.700 0.02 A 73 MET HBy H 1 1.950 0.02 A 73 MET HBx H 1 1.910 0.02 A 73 MET HE% H 1 2.125 0.02 A 73 MET HGy H 1 2.609 0.02 A 73 MET HGx H 1 2.416 0.02 A 73 MET C C 13 174.922 0.2 A 73 MET CA C 13 55.272 0.2 A 73 MET CB C 13 36.383 0.2 A 73 MET CE C 13 16.755 0.2 A 73 MET CG C 13 31.746 0.2 A 73 MET N N 15 118.628 0.2 A 74 SER H H 1 7.953 0.02 A 74 SER HA H 1 4.251 0.02 A 74 SER HBy H 1 3.984 0.02 A 74 SER HBx H 1 3.211 0.02 A 74 SER C C 13 173.298 0.2 A 74 SER CA C 13 59.082 0.2 A 74 SER CB C 13 63.461 0.2 A 74 SER N N 15 119.610 0.2 A 75 ARG H H 1 8.530 0.02 A 75 ARG HA H 1 4.315 0.02 A 75 ARG HBx H 1 1.865 0.02 A 75 ARG HBy H 1 1.926 0.02 A 75 ARG HD2 H 1 3.285 0.02 A 75 ARG HD3 H 1 3.285 0.02 A 75 ARG HG2 H 1 1.815 0.02 A 75 ARG HG3 H 1 1.815 0.02 A 75 ARG C C 13 177.633 0.2 A 75 ARG CA C 13 56.201 0.2 A 75 ARG CB C 13 30.663 0.2 A 75 ARG CD C 13 43.258 0.2 A 75 ARG CG C 13 27.137 0.2 A 75 ARG N N 15 121.305 0.2 A 76 ALA H H 1 8.968 0.02 A 76 ALA HA H 1 4.257 0.02 A 76 ALA HB% H 1 1.438 0.02 A 76 ALA C C 13 178.722 0.2 A 76 ALA CA C 13 54.136 0.2 A 76 ALA CB C 13 18.133 0.2 A 76 ALA N N 15 126.733 0.2 A 77 GLY H H 1 8.974 0.02 A 77 GLY HAy H 1 4.223 0.02 A 77 GLY HAx H 1 3.784 0.02 A 77 GLY C C 13 174.726 0.2 A 77 GLY CA C 13 45.052 0.2 A 77 GLY N N 15 110.348 0.2 A 78 SER H H 1 7.766 0.02 A 78 SER HA H 1 4.472 0.02 A 78 SER HBy H 1 3.985 0.02 A 78 SER HBx H 1 3.899 0.02 A 78 SER C C 13 173.448 0.2 A 78 SER CA C 13 59.321 0.2 A 78 SER CB C 13 64.240 0.2 A 78 SER N N 15 116.104 0.2 A 79 ARG H H 1 8.509 0.02 A 79 ARG HA H 1 4.697 0.02 A 79 ARG HBy H 1 1.861 0.02 A 79 ARG HBx H 1 1.595 0.02 A 79 ARG HDx H 1 3.070 0.02 A 79 ARG HDy H 1 3.311 0.02 A 79 ARG HGx H 1 1.559 0.02 A 79 ARG HGy H 1 1.712 0.02 A 79 ARG C C 13 174.195 0.2 A 79 ARG CA C 13 52.519 0.2 A 79 ARG CB C 13 32.571 0.2 A 79 ARG CD C 13 43.351 0.2 A 79 ARG CG C 13 26.742 0.2 A 79 ARG N N 15 122.216 0.2 A 80 PRO HA H 1 4.746 0.02 A 80 PRO HBx H 1 1.899 0.02 A 80 PRO HBy H 1 2.452 0.02 A 80 PRO HDx H 1 3.495 0.02 A 80 PRO HDy H 1 3.675 0.02 A 80 PRO HGy H 1 2.021 0.02 A 80 PRO HGx H 1 1.748 0.02 A 80 PRO C C 13 174.469 0.2 A 80 PRO CA C 13 62.967 0.2 A 80 PRO CB C 13 34.623 0.2 A 80 PRO CD C 13 50.091 0.2 A 80 PRO CG C 13 24.751 0.2 A 81 TRP H H 1 8.846 0.02 A 81 TRP HA H 1 4.357 0.02 A 81 TRP HBx H 1 3.264 0.02 A 81 TRP HBy H 1 3.308 0.02 A 81 TRP HD1 H 1 7.233 0.02 A 81 TRP HE1 H 1 9.289 0.02 A 81 TRP HE3 H 1 7.176 0.02 A 81 TRP HH2 H 1 6.833 0.02 A 81 TRP HZ2 H 1 7.557 0.02 A 81 TRP HZ3 H 1 6.578 0.02 A 81 TRP C C 13 174.302 0.2 A 81 TRP CA C 13 58.047 0.2 A 81 TRP CB C 13 30.588 0.2 A 81 TRP CD1 C 13 127.680 0.2 A 81 TRP CE3 C 13 121.415 0.2 A 81 TRP CH2 C 13 124.040 0.2 A 81 TRP CZ2 C 13 113.799 0.2 A 81 TRP CZ3 C 13 120.902 0.2 A 81 TRP N N 15 124.473 0.2 A 81 TRP NE1 N 15 127.368 0.2 A 82 LYS H H 1 7.862 0.02 A 82 LYS HA H 1 5.156 0.02 A 82 LYS HB2 H 1 1.225 0.02 A 82 LYS HB3 H 1 1.225 0.02 A 82 LYS HD2 H 1 1.489 0.02 A 82 LYS HD3 H 1 1.489 0.02 A 82 LYS HE2 H 1 2.692 0.02 A 82 LYS HE3 H 1 2.692 0.02 A 82 LYS HG2 H 1 1.017 0.02 A 82 LYS HG3 H 1 1.017 0.02 A 82 LYS C C 13 174.003 0.2 A 82 LYS CA C 13 53.667 0.2 A 82 LYS CB C 13 37.052 0.2 A 82 LYS CD C 13 29.490 0.2 A 82 LYS CE C 13 41.856 0.2 A 82 LYS CG C 13 24.709 0.2 A 82 LYS N N 15 124.987 0.2 A 83 ALA H H 1 8.065 0.02 A 83 ALA HA H 1 4.520 0.02 A 83 ALA HB% H 1 1.031 0.02 A 83 ALA C C 13 174.558 0.2 A 83 ALA CA C 13 50.051 0.2 A 83 ALA CB C 13 23.960 0.2 A 83 ALA N N 15 120.028 0.2 A 84 TYR H H 1 8.263 0.02 A 84 TYR HA H 1 5.276 0.02 A 84 TYR HB2 H 1 1.939 0.02 A 84 TYR HB3 H 1 1.939 0.02 A 84 TYR HD1 H 1 6.424 0.02 A 84 TYR HD2 H 1 6.424 0.02 A 84 TYR HE1 H 1 6.259 0.02 A 84 TYR HE2 H 1 6.259 0.02 A 84 TYR C C 13 174.733 0.2 A 84 TYR CA C 13 55.628 0.2 A 84 TYR CB C 13 39.847 0.2 A 84 TYR CD1 C 13 131.725 0.2 A 84 TYR CE1 C 13 118.542 0.2 A 84 TYR N N 15 117.854 0.2 A 85 LEU H H 1 9.558 0.02 A 85 LEU HA H 1 5.723 0.02 A 85 LEU HBy H 1 1.761 0.02 A 85 LEU HBx H 1 1.711 0.02 A 85 LEU HD1% H 1 0.847 0.02 A 85 LEU HD2% H 1 0.821 0.02 A 85 LEU HG H 1 1.504 0.02 A 85 LEU C C 13 176.822 0.2 A 85 LEU CA C 13 52.190 0.2 A 85 LEU CB C 13 44.767 0.2 A 85 LEU CD1 C 13 25.684 0.2 A 85 LEU CD2 C 13 24.322 0.2 A 85 LEU CG C 13 27.410 0.2 A 85 LEU N N 15 122.186 0.2 A 86 SER H H 1 9.482 0.02 A 86 SER HA H 1 5.715 0.02 A 86 SER HBx H 1 3.786 0.02 A 86 SER HBy H 1 3.990 0.02 A 86 SER HG H 1 5.109 0.02 A 86 SER C C 13 171.633 0.2 A 86 SER CA C 13 57.346 0.2 A 86 SER CB C 13 67.654 0.2 A 86 SER N N 15 116.710 0.2 A 87 ALA H H 1 8.758 0.02 A 87 ALA HA H 1 4.977 0.02 A 87 ALA HB% H 1 1.733 0.02 A 87 ALA C C 13 174.430 0.2 A 87 ALA CA C 13 51.168 0.2 A 87 ALA CB C 13 25.203 0.2 A 87 ALA N N 15 124.219 0.2 A 88 GLN H H 1 9.667 0.02 A 88 GLN HA H 1 5.802 0.02 A 88 GLN HBy H 1 1.983 0.02 A 88 GLN HBx H 1 1.928 0.02 A 88 GLN HE21 H 1 7.393 0.02 A 88 GLN HE22 H 1 6.831 0.02 A 88 GLN HGx H 1 2.138 0.02 A 88 GLN HGy H 1 2.597 0.02 A 88 GLN C C 13 174.725 0.2 A 88 GLN CA C 13 54.135 0.2 A 88 GLN CB C 13 33.599 0.2 A 88 GLN CG C 13 33.661 0.2 A 88 GLN N N 15 121.294 0.2 A 88 GLN NE2 N 15 111.206 0.2 A 89 ASP H H 1 8.609 0.02 A 89 ASP HA H 1 5.776 0.02 A 89 ASP HB2 H 1 3.532 0.02 A 89 ASP HB3 H 1 2.714 0.02 A 89 ASP C C 13 178.210 0.2 A 89 ASP CA C 13 52.205 0.2 A 89 ASP CB C 13 43.249 0.2 A 89 ASP N N 15 123.303 0.2 A 90 ASP H H 1 8.634 0.02 A 90 ASP HA H 1 4.366 0.02 A 90 ASP HBx H 1 2.620 0.02 A 90 ASP HBy H 1 2.941 0.02 A 90 ASP C C 13 177.014 0.2 A 90 ASP CA C 13 55.762 0.2 A 90 ASP CB C 13 40.064 0.2 A 90 ASP N N 15 118.195 0.2 A 91 THR H H 1 8.627 0.02 A 91 THR HA H 1 4.577 0.02 A 91 THR HB H 1 4.440 0.02 A 91 THR HG2% H 1 1.249 0.02 A 91 THR C C 13 175.455 0.2 A 91 THR CA C 13 61.788 0.2 A 91 THR CB C 13 70.068 0.2 A 91 THR CG2 C 13 21.931 0.2 A 91 THR N N 15 111.086 0.2 A 92 GLY H H 1 8.073 0.02 A 92 GLY HAy H 1 4.446 0.02 A 92 GLY HAx H 1 3.594 0.02 A 92 GLY C C 13 173.918 0.2 A 92 GLY CA C 13 44.573 0.2 A 92 GLY N N 15 109.483 0.2 A 93 CYS H H 1 8.015 0.02 A 93 CYS HA H 1 4.162 0.02 A 93 CYS HBx H 1 2.589 0.02 A 93 CYS HBy H 1 2.841 0.02 A 93 CYS C C 13 172.359 0.2 A 93 CYS CA C 13 59.622 0.2 A 93 CYS CB C 13 27.474 0.2 A 93 CYS N N 15 123.376 0.2 A 94 LEU H H 1 8.433 0.02 A 94 LEU HA H 1 4.911 0.02 A 94 LEU HB2 H 1 1.375 0.02 A 94 LEU HB3 H 1 1.375 0.02 A 94 LEU HD1% H 1 1.031 0.02 A 94 LEU HD2% H 1 0.947 0.02 A 94 LEU HG H 1 1.551 0.02 A 94 LEU C C 13 174.729 0.2 A 94 LEU CA C 13 53.492 0.2 A 94 LEU CB C 13 44.958 0.2 A 94 LEU CD1 C 13 24.518 0.2 A 94 LEU CD2 C 13 25.050 0.2 A 94 LEU CG C 13 27.099 0.2 A 94 LEU N N 15 128.478 0.2 A 95 PHE H H 1 8.937 0.02 A 95 PHE HA H 1 4.887 0.02 A 95 PHE HBy H 1 2.031 0.02 A 95 PHE HBx H 1 1.761 0.02 A 95 PHE HD1 H 1 6.565 0.02 A 95 PHE HD2 H 1 6.565 0.02 A 95 PHE HE1 H 1 7.011 0.02 A 95 PHE HE2 H 1 7.011 0.02 A 95 PHE C C 13 175.562 0.2 A 95 PHE CA C 13 56.195 0.2 A 95 PHE CB C 13 40.510 0.2 A 95 PHE CD1 C 13 131.325 0.2 A 95 PHE CE1 C 13 130.205 0.2 A 95 PHE N N 15 120.733 0.2 A 96 LEU H H 1 9.264 0.02 A 96 LEU HA H 1 5.607 0.02 A 96 LEU HBy H 1 1.998 0.02 A 96 LEU HBx H 1 1.842 0.02 A 96 LEU HD1% H 1 0.594 0.02 A 96 LEU HD2% H 1 0.676 0.02 A 96 LEU HG H 1 1.549 0.02 A 96 LEU C C 13 175.989 0.2 A 96 LEU CA C 13 54.244 0.2 A 96 LEU CB C 13 44.209 0.2 A 96 LEU CD1 C 13 25.708 0.2 A 96 LEU CD2 C 13 24.468 0.2 A 96 LEU CG C 13 28.104 0.2 A 96 LEU N N 15 124.449 0.2 A 97 THR H H 1 9.372 0.02 A 97 THR HA H 1 6.010 0.02 A 97 THR HB H 1 3.930 0.02 A 97 THR HG1 H 1 4.511 0.02 A 97 THR HG2% H 1 1.268 0.02 A 97 THR C C 13 172.594 0.2 A 97 THR CA C 13 62.148 0.2 A 97 THR CB C 13 72.600 0.2 A 97 THR CG2 C 13 22.437 0.2 A 97 THR N N 15 119.292 0.2 A 98 GLU H H 1 9.507 0.02 A 98 GLU HA H 1 5.047 0.02 A 98 GLU HBx H 1 1.956 0.02 A 98 GLU HBy H 1 2.225 0.02 A 98 GLU HGx H 1 1.482 0.02 A 98 GLU HGy H 1 1.577 0.02 A 98 GLU C C 13 175.348 0.2 A 98 GLU CA C 13 54.224 0.2 A 98 GLU CB C 13 35.198 0.2 A 98 GLU CG C 13 37.370 0.2 A 98 GLU N N 15 126.497 0.2 A 99 LEU H H 1 8.943 0.02 A 99 LEU HA H 1 5.264 0.02 A 99 LEU HB2 H 1 1.809 0.02 A 99 LEU HB3 H 1 1.809 0.02 A 99 LEU HD1% H 1 0.980 0.02 A 99 LEU HD2% H 1 0.935 0.02 A 99 LEU HG H 1 1.601 0.02 A 99 LEU C C 13 175.284 0.2 A 99 LEU CA C 13 53.029 0.2 A 99 LEU CB C 13 43.303 0.2 A 99 LEU CD1 C 13 25.571 0.2 A 99 LEU CD2 C 13 24.307 0.2 A 99 LEU CG C 13 26.933 0.2 A 99 LEU N N 15 127.651 0.2 A 100 LEU H H 1 8.738 0.02 A 100 LEU HA H 1 5.306 0.02 A 100 LEU HBx H 1 1.398 0.02 A 100 LEU HBy H 1 1.784 0.02 A 100 LEU HD1% H 1 0.836 0.02 A 100 LEU HD2% H 1 0.836 0.02 A 100 LEU HG H 1 1.435 0.02 A 100 LEU C C 13 175.024 0.2 A 100 LEU CA C 13 54.230 0.2 A 100 LEU CB C 13 46.332 0.2 A 100 LEU CD1 C 13 25.004 0.2 A 100 LEU CG C 13 27.930 0.2 A 100 LEU N N 15 123.392 0.2 A 101 LEU H H 1 9.576 0.02 A 101 LEU HA H 1 4.983 0.02 A 101 LEU HBx H 1 1.183 0.02 A 101 LEU HBy H 1 1.822 0.02 A 101 LEU HD1% H 1 0.285 0.02 A 101 LEU HD2% H 1 0.023 0.02 A 101 LEU HG H 1 1.184 0.02 A 101 LEU C C 13 175.579 0.2 A 101 LEU CA C 13 53.882 0.2 A 101 LEU CB C 13 45.305 0.2 A 101 LEU CD1 C 13 23.226 0.2 A 101 LEU CD2 C 13 24.645 0.2 A 101 LEU CG C 13 27.011 0.2 A 101 LEU N N 15 128.896 0.2 A 102 GLU H H 1 8.944 0.02 A 102 GLU HA H 1 4.769 0.02 A 102 GLU HBy H 1 2.205 0.02 A 102 GLU HBx H 1 1.978 0.02 A 102 GLU HGx H 1 2.247 0.02 A 102 GLU HGy H 1 2.339 0.02 A 102 GLU C C 13 174.710 0.2 A 102 GLU CA C 13 54.077 0.2 A 102 GLU CB C 13 29.478 0.2 A 102 GLU CG C 13 35.956 0.2 A 102 GLU N N 15 127.930 0.2 A 103 PRO HA H 1 4.276 0.02 A 103 PRO HBx H 1 1.973 0.02 A 103 PRO HBy H 1 2.284 0.02 A 103 PRO HDy H 1 3.958 0.02 A 103 PRO HDx H 1 3.832 0.02 A 103 PRO HGy H 1 2.166 0.02 A 103 PRO HGx H 1 1.852 0.02 A 103 PRO C C 13 177.800 0.2 A 103 PRO CA C 13 64.188 0.2 A 103 PRO CB C 13 31.559 0.2 A 103 PRO CD C 13 50.787 0.2 A 103 PRO CG C 13 27.502 0.2 A 104 GLY H H 1 8.955 0.02 A 104 GLY HAy H 1 4.100 0.02 A 104 GLY HAx H 1 3.799 0.02 A 104 GLY C C 13 174.366 0.2 A 104 GLY CA C 13 45.683 0.2 A 104 GLY N N 15 110.550 0.2 A 105 ASN H H 1 7.954 0.02 A 105 ASN HA H 1 4.793 0.02 A 105 ASN HBx H 1 2.840 0.02 A 105 ASN HBy H 1 2.965 0.02 A 105 ASN HD21 H 1 7.555 0.02 A 105 ASN HD22 H 1 6.909 0.02 A 105 ASN C C 13 174.857 0.2 A 105 ASN CA C 13 52.539 0.2 A 105 ASN CB C 13 39.138 0.2 A 105 ASN N N 15 117.560 0.2 A 105 ASN ND2 N 15 111.775 0.2 A 106 SER H H 1 8.435 0.02 A 106 SER HA H 1 4.545 0.02 A 106 SER HB2 H 1 4.002 0.02 A 106 SER HB3 H 1 4.002 0.02 A 106 SER C C 13 174.191 0.2 A 106 SER CA C 13 58.319 0.2 A 106 SER CB C 13 63.046 0.2 A 106 SER N N 15 114.350 0.2 A 107 GLU H H 1 7.634 0.02 A 107 GLU HA H 1 4.919 0.02 A 107 GLU HB2 H 1 1.872 0.02 A 107 GLU HB3 H 1 1.872 0.02 A 107 GLU HGx H 1 2.059 0.02 A 107 GLU HGy H 1 2.172 0.02 A 107 GLU C C 13 173.773 0.2 A 107 GLU CA C 13 54.997 0.2 A 107 GLU CB C 13 32.765 0.2 A 107 GLU CG C 13 35.995 0.2 A 107 GLU N N 15 118.942 0.2 A 108 MET H H 1 9.357 0.02 A 108 MET HA H 1 5.039 0.02 A 108 MET HBx H 1 1.787 0.02 A 108 MET HBy H 1 2.137 0.02 A 108 MET HE% H 1 1.275 0.02 A 108 MET HG2 H 1 2.213 0.02 A 108 MET HG3 H 1 2.213 0.02 A 108 MET C C 13 174.238 0.2 A 108 MET CA C 13 53.885 0.2 A 108 MET CB C 13 36.024 0.2 A 108 MET CE C 13 17.030 0.2 A 108 MET CG C 13 31.551 0.2 A 108 MET N N 15 123.888 0.2 A 109 GLN H H 1 9.539 0.02 A 109 GLN HA H 1 4.969 0.02 A 109 GLN HBy H 1 2.263 0.02 A 109 GLN HBx H 1 2.177 0.02 A 109 GLN HE21 H 1 7.473 0.02 A 109 GLN HE22 H 1 6.924 0.02 A 109 GLN HGx H 1 2.195 0.02 A 109 GLN HGy H 1 2.278 0.02 A 109 GLN C C 13 175.174 0.2 A 109 GLN CA C 13 55.244 0.2 A 109 GLN CB C 13 31.451 0.2 A 109 GLN CG C 13 34.646 0.2 A 109 GLN N N 15 126.781 0.2 A 109 GLN NE2 N 15 110.962 0.2 A 110 ILE H H 1 9.146 0.02 A 110 ILE HA H 1 5.053 0.02 A 110 ILE HB H 1 1.784 0.02 A 110 ILE HD1% H 1 0.783 0.02 A 110 ILE HG12 H 1 0.997 0.02 A 110 ILE HG13 H 1 1.606 0.02 A 110 ILE HG2% H 1 0.862 0.02 A 110 ILE C C 13 175.494 0.2 A 110 ILE CA C 13 60.397 0.2 A 110 ILE CB C 13 40.624 0.2 A 110 ILE CD1 C 13 14.008 0.2 A 110 ILE CG1 C 13 27.050 0.2 A 110 ILE CG2 C 13 17.800 0.2 A 110 ILE N N 15 125.057 0.2 A 111 SER H H 1 8.919 0.02 A 111 SER HA H 1 5.684 0.02 A 111 SER HBx H 1 4.015 0.02 A 111 SER HBy H 1 4.260 0.02 A 111 SER C C 13 172.978 0.2 A 111 SER CA C 13 57.629 0.2 A 111 SER CB C 13 65.278 0.2 A 111 SER N N 15 121.266 0.2 A 112 VAL H H 1 9.484 0.02 A 112 VAL HA H 1 5.569 0.02 A 112 VAL HB H 1 2.088 0.02 A 112 VAL HG1% H 1 1.183 0.02 A 112 VAL HG2% H 1 1.249 0.02 A 112 VAL C C 13 174.857 0.2 A 112 VAL CA C 13 60.772 0.2 A 112 VAL CB C 13 35.911 0.2 A 112 VAL CG1 C 13 21.917 0.2 A 112 VAL CG2 C 13 21.549 0.2 A 112 VAL N N 15 124.805 0.2 A 113 LYS H H 1 9.946 0.02 A 113 LYS HA H 1 4.690 0.02 A 113 LYS HBy H 1 1.543 0.02 A 113 LYS HBx H 1 1.363 0.02 A 113 LYS HDx H 1 -0.011 0.02 A 113 LYS HDy H 1 0.013 0.02 A 113 LYS HEx H 1 0.764 0.02 A 113 LYS HEy H 1 1.771 0.02 A 113 LYS C C 13 173.502 0.2 A 113 LYS CA C 13 55.443 0.2 A 113 LYS CB C 13 36.052 0.2 A 113 LYS CD C 13 30.027 0.2 A 113 LYS CE C 13 42.593 0.2 A 113 LYS N N 15 125.954 0.2 A 114 GLN H H 1 9.025 0.02 A 114 GLN HA H 1 5.269 0.02 A 114 GLN HBx H 1 1.495 0.02 A 114 GLN HBy H 1 1.854 0.02 A 114 GLN HE2x H 1 6.087 0.02 A 114 GLN HE2y H 1 6.992 0.02 A 114 GLN HG2 H 1 1.800 0.02 A 114 GLN HG3 H 1 1.800 0.02 A 114 GLN C C 13 174.879 0.2 A 114 GLN CA C 13 53.171 0.2 A 114 GLN CB C 13 32.506 0.2 A 114 GLN CG C 13 33.569 0.2 A 114 GLN N N 15 120.316 0.2 A 114 GLN NE2 N 15 110.090 0.2 A 115 ASN H H 1 8.479 0.02 A 115 ASN HA H 1 4.408 0.02 A 115 ASN HBx H 1 2.335 0.02 A 115 ASN HBy H 1 3.045 0.02 A 115 ASN HD21 H 1 7.750 0.02 A 115 ASN HD22 H 1 7.272 0.02 A 115 ASN C C 13 174.204 0.2 A 115 ASN CA C 13 54.787 0.2 A 115 ASN CB C 13 37.938 0.2 A 115 ASN N N 15 121.754 0.2 A 115 ASN ND2 N 15 112.969 0.2 A 116 GLU H H 1 7.073 0.02 A 116 GLU HA H 1 4.366 0.02 A 116 GLU HBy H 1 1.864 0.02 A 116 GLU HBx H 1 1.705 0.02 A 116 GLU HG2 H 1 2.105 0.02 A 116 GLU HG3 H 1 2.105 0.02 A 116 GLU C C 13 174.745 0.2 A 116 GLU CA C 13 54.857 0.2 A 116 GLU CB C 13 30.858 0.2 A 116 GLU CG C 13 35.249 0.2 A 116 GLU N N 15 120.123 0.2 A 117 ALA H H 1 8.282 0.02 A 117 ALA HA H 1 4.071 0.02 A 117 ALA HB% H 1 1.309 0.02 A 117 ALA C C 13 177.548 0.2 A 117 ALA CA C 13 52.804 0.2 A 117 ALA CB C 13 18.150 0.2 A 117 ALA N N 15 125.350 0.2 A 118 ARG H H 1 7.936 0.02 A 118 ARG HA H 1 4.567 0.02 A 118 ARG HBy H 1 1.969 0.02 A 118 ARG HBx H 1 1.833 0.02 A 118 ARG HDx H 1 3.230 0.02 A 118 ARG HDy H 1 3.304 0.02 A 118 ARG HG2 H 1 1.591 0.02 A 118 ARG HG3 H 1 1.699 0.02 A 118 ARG C C 13 176.395 0.2 A 118 ARG CA C 13 55.785 0.2 A 118 ARG CB C 13 30.708 0.2 A 118 ARG CD C 13 43.535 0.2 A 118 ARG CG C 13 27.470 0.2 A 118 ARG N N 15 123.600 0.2 A 119 THR H H 1 8.810 0.02 A 119 THR HA H 1 3.987 0.02 A 119 THR HB H 1 4.177 0.02 A 119 THR HG2% H 1 1.300 0.02 A 119 THR C C 13 175.921 0.2 A 119 THR CA C 13 65.971 0.2 A 119 THR CB C 13 68.945 0.2 A 119 THR CG2 C 13 22.229 0.2 A 119 THR N N 15 122.424 0.2 A 120 GLU H H 1 9.477 0.02 A 120 GLU HA H 1 4.217 0.02 A 120 GLU HB2 H 1 2.094 0.02 A 120 GLU HB3 H 1 2.094 0.02 A 120 GLU HG2 H 1 2.405 0.02 A 120 GLU HG3 H 1 2.405 0.02 A 120 GLU C C 13 179.128 0.2 A 120 GLU CA C 13 60.089 0.2 A 120 GLU CB C 13 28.794 0.2 A 120 GLU CG C 13 36.375 0.2 A 120 GLU N N 15 120.474 0.2 A 121 THR H H 1 7.381 0.02 A 121 THR HA H 1 4.313 0.02 A 121 THR HB H 1 4.472 0.02 A 121 THR HG2% H 1 1.418 0.02 A 121 THR C C 13 176.715 0.2 A 121 THR CA C 13 63.873 0.2 A 121 THR CB C 13 68.290 0.2 A 121 THR CG2 C 13 23.447 0.2 A 121 THR N N 15 110.097 0.2 A 122 LEU H H 1 7.863 0.02 A 122 LEU HA H 1 4.240 0.02 A 122 LEU HBx H 1 1.809 0.02 A 122 LEU HBy H 1 2.064 0.02 A 122 LEU HD1% H 1 0.938 0.02 A 122 LEU HD2% H 1 0.937 0.02 A 122 LEU HG H 1 1.608 0.02 A 122 LEU C C 13 178.124 0.2 A 122 LEU CA C 13 58.697 0.2 A 122 LEU CB C 13 40.782 0.2 A 122 LEU CD1 C 13 23.644 0.2 A 122 LEU CD2 C 13 26.375 0.2 A 122 LEU CG C 13 26.853 0.2 A 122 LEU N N 15 124.081 0.2 A 123 ASN H H 1 8.403 0.02 A 123 ASN HA H 1 4.340 0.02 A 123 ASN HB2 H 1 2.906 0.02 A 123 ASN HB3 H 1 2.785 0.02 A 123 ASN HD21 H 1 7.624 0.02 A 123 ASN HD22 H 1 6.827 0.02 A 123 ASN C C 13 178.701 0.2 A 123 ASN CA C 13 55.960 0.2 A 123 ASN CB C 13 37.348 0.2 A 123 ASN N N 15 116.183 0.2 A 123 ASN ND2 N 15 111.104 0.2 A 124 SER H H 1 7.847 0.02 A 124 SER HA H 1 4.266 0.02 A 124 SER HBx H 1 3.984 0.02 A 124 SER HBy H 1 4.064 0.02 A 124 SER C C 13 175.839 0.2 A 124 SER CA C 13 61.785 0.2 A 124 SER CB C 13 62.837 0.2 A 124 SER N N 15 116.690 0.2 A 125 PHE H H 1 8.460 0.02 A 125 PHE HA H 1 3.731 0.02 A 125 PHE HBy H 1 2.768 0.02 A 125 PHE HBx H 1 2.323 0.02 A 125 PHE HD1 H 1 6.631 0.02 A 125 PHE HD2 H 1 6.631 0.02 A 125 PHE HE1 H 1 7.081 0.02 A 125 PHE HE2 H 1 7.081 0.02 A 125 PHE HZ H 1 7.025 0.02 A 125 PHE C C 13 176.241 0.2 A 125 PHE CA C 13 62.144 0.2 A 125 PHE CB C 13 38.753 0.2 A 125 PHE CD1 C 13 130.775 0.2 A 125 PHE CE1 C 13 130.725 0.2 A 125 PHE CZ C 13 128.407 0.2 A 125 PHE N N 15 124.470 0.2 A 126 ILE H H 1 8.422 0.02 A 126 ILE HA H 1 3.184 0.02 A 126 ILE HB H 1 1.813 0.02 A 126 ILE HD1% H 1 0.421 0.02 A 126 ILE HG1x H 1 1.022 0.02 A 126 ILE HG1y H 1 1.414 0.02 A 126 ILE HG2% H 1 0.694 0.02 A 126 ILE C C 13 177.377 0.2 A 126 ILE CA C 13 64.392 0.2 A 126 ILE CB C 13 36.653 0.2 A 126 ILE CD1 C 13 12.440 0.2 A 126 ILE CG1 C 13 28.746 0.2 A 126 ILE CG2 C 13 17.449 0.2 A 126 ILE N N 15 118.446 0.2 A 127 SER H H 1 7.517 0.02 A 127 SER HA H 1 4.273 0.02 A 127 SER HB2 H 1 3.971 0.02 A 127 SER HB3 H 1 3.971 0.02 A 127 SER C C 13 177.357 0.2 A 127 SER CA C 13 61.730 0.2 A 127 SER CB C 13 62.704 0.2 A 127 SER N N 15 112.991 0.2 A 128 VAL H H 1 7.616 0.02 A 128 VAL HA H 1 3.561 0.02 A 128 VAL HB H 1 1.992 0.02 A 128 VAL HG1% H 1 0.786 0.02 A 128 VAL HG2% H 1 1.037 0.02 A 128 VAL C C 13 177.783 0.2 A 128 VAL CA C 13 66.768 0.2 A 128 VAL CB C 13 31.189 0.2 A 128 VAL CG1 C 13 20.855 0.2 A 128 VAL CG2 C 13 22.597 0.2 A 128 VAL N N 15 123.841 0.2 A 129 LEU H H 1 7.680 0.02 A 129 LEU HA H 1 3.540 0.02 A 129 LEU HBx H 1 1.180 0.02 A 129 LEU HBy H 1 1.304 0.02 A 129 LEU HD1% H 1 0.727 0.02 A 129 LEU HD2% H 1 0.690 0.02 A 129 LEU HG H 1 1.167 0.02 A 129 LEU C C 13 178.445 0.2 A 129 LEU CA C 13 58.013 0.2 A 129 LEU CB C 13 41.818 0.2 A 129 LEU CD1 C 13 25.134 0.2 A 129 LEU CD2 C 13 25.293 0.2 A 129 LEU CG C 13 26.100 0.2 A 129 LEU N N 15 119.597 0.2 A 130 GLU H H 1 8.797 0.02 A 130 GLU HA H 1 3.690 0.02 A 130 GLU HBx H 1 1.967 0.02 A 130 GLU HBy H 1 2.155 0.02 A 130 GLU HGx H 1 2.119 0.02 A 130 GLU HGy H 1 2.470 0.02 A 130 GLU C C 13 179.854 0.2 A 130 GLU CA C 13 59.744 0.2 A 130 GLU CB C 13 29.473 0.2 A 130 GLU CG C 13 36.661 0.2 A 130 GLU N N 15 115.997 0.2 A 131 THR H H 1 8.041 0.02 A 131 THR HA H 1 3.944 0.02 A 131 THR HB H 1 4.376 0.02 A 131 THR HG2% H 1 1.193 0.02 A 131 THR C C 13 176.587 0.2 A 131 THR CA C 13 66.606 0.2 A 131 THR CB C 13 68.328 0.2 A 131 THR CG2 C 13 21.035 0.2 A 131 THR N N 15 117.291 0.2 A 132 VAL H H 1 8.200 0.02 A 132 VAL HA H 1 3.639 0.02 A 132 VAL HB H 1 2.017 0.02 A 132 VAL HG1% H 1 0.761 0.02 A 132 VAL HG2% H 1 1.012 0.02 A 132 VAL C C 13 178.551 0.2 A 132 VAL CA C 13 66.583 0.2 A 132 VAL CB C 13 31.509 0.2 A 132 VAL CG1 C 13 21.635 0.2 A 132 VAL CG2 C 13 22.935 0.2 A 132 VAL N N 15 122.679 0.2 A 133 ILE H H 1 8.234 0.02 A 133 ILE HA H 1 3.556 0.02 A 133 ILE HB H 1 1.802 0.02 A 133 ILE HD1% H 1 0.771 0.02 A 133 ILE HG12 H 1 1.047 0.02 A 133 ILE HG13 H 1 1.707 0.02 A 133 ILE HG2% H 1 0.950 0.02 A 133 ILE C C 13 177.484 0.2 A 133 ILE CA C 13 65.221 0.2 A 133 ILE CB C 13 37.623 0.2 A 133 ILE CD1 C 13 13.320 0.2 A 133 ILE CG1 C 13 29.484 0.2 A 133 ILE CG2 C 13 17.620 0.2 A 133 ILE N N 15 118.500 0.2 A 134 GLY H H 1 8.001 0.02 A 134 GLY HAy H 1 4.011 0.02 A 134 GLY HAx H 1 3.902 0.02 A 134 GLY C C 13 175.562 0.2 A 134 GLY CA C 13 46.316 0.2 A 134 GLY N N 15 104.621 0.2 A 135 THR H H 1 7.641 0.02 A 135 THR HA H 1 4.306 0.02 A 135 THR HB H 1 4.379 0.02 A 135 THR HG2% H 1 1.279 0.02 A 135 THR C C 13 175.579 0.2 A 135 THR CA C 13 63.511 0.2 A 135 THR CB C 13 69.699 0.2 A 135 THR CG2 C 13 21.224 0.2 A 135 THR N N 15 111.803 0.2 A 136 ILE H H 1 7.447 0.02 A 136 ILE HA H 1 4.104 0.02 A 136 ILE HB H 1 2.057 0.02 A 136 ILE HD1% H 1 0.766 0.02 A 136 ILE HG1y H 1 1.529 0.02 A 136 ILE HG1x H 1 1.465 0.02 A 136 ILE HG2% H 1 0.906 0.02 A 136 ILE C C 13 176.480 0.2 A 136 ILE CA C 13 61.465 0.2 A 136 ILE CB C 13 37.395 0.2 A 136 ILE CD1 C 13 13.247 0.2 A 136 ILE CG1 C 13 27.396 0.2 A 136 ILE CG2 C 13 18.116 0.2 A 136 ILE N N 15 119.871 0.2 A 137 GLU H H 1 7.977 0.02 A 137 GLU HA H 1 3.981 0.02 A 137 GLU HBy H 1 1.858 0.02 A 137 GLU HBx H 1 1.747 0.02 A 137 GLU HGy H 1 2.045 0.02 A 137 GLU HGx H 1 1.851 0.02 A 137 GLU C C 13 176.160 0.2 A 137 GLU CA C 13 56.976 0.2 A 137 GLU CB C 13 29.833 0.2 A 137 GLU CG C 13 35.626 0.2 A 137 GLU N N 15 123.023 0.2 A 138 GLU H H 1 8.063 0.02 A 138 GLU HA H 1 4.211 0.02 A 138 GLU HBx H 1 1.945 0.02 A 138 GLU HBy H 1 2.008 0.02 A 138 GLU HGy H 1 2.268 0.02 A 138 GLU HGx H 1 2.175 0.02 A 138 GLU C C 13 176.245 0.2 A 138 GLU CA C 13 56.292 0.2 A 138 GLU CB C 13 30.173 0.2 A 138 GLU CG C 13 36.146 0.2 A 138 GLU N N 15 120.645 0.2 A 139 ILE H H 1 7.990 0.02 A 139 ILE HA H 1 4.062 0.02 A 139 ILE HB H 1 1.812 0.02 A 139 ILE HD1% H 1 0.781 0.02 A 139 ILE HG1y H 1 1.485 0.02 A 139 ILE HG1x H 1 1.120 0.02 A 139 ILE HG2% H 1 0.844 0.02 A 139 ILE C C 13 176.032 0.2 A 139 ILE CA C 13 61.205 0.2 A 139 ILE CB C 13 38.062 0.2 A 139 ILE CD1 C 13 12.949 0.2 A 139 ILE CG1 C 13 27.249 0.2 A 139 ILE CG2 C 13 17.293 0.2 A 139 ILE N N 15 122.607 0.2 A 140 LYS H H 1 8.372 0.02 A 140 LYS HA H 1 4.423 0.02 A 140 LYS HBx H 1 1.746 0.02 A 140 LYS HBy H 1 1.877 0.02 A 140 LYS HD2 H 1 1.654 0.02 A 140 LYS HD3 H 1 1.654 0.02 A 140 LYS HE2 H 1 2.974 0.02 A 140 LYS HE3 H 1 2.974 0.02 A 140 LYS HG2 H 1 1.425 0.02 A 140 LYS HG3 H 1 1.425 0.02 A 140 LYS C C 13 175.626 0.2 A 140 LYS CA C 13 55.781 0.2 A 140 LYS CB C 13 32.926 0.2 A 140 LYS CD C 13 28.768 0.2 A 140 LYS CE C 13 41.973 0.2 A 140 LYS CG C 13 24.499 0.2 A 140 LYS N N 15 126.593 0.2 A 141 SER H H 1 7.999 0.02 A 141 SER HA H 1 4.243 0.02 A 141 SER HB2 H 1 3.816 0.02 A 141 SER HB3 H 1 3.816 0.02 A 141 SER C C 13 178.615 0.2 A 141 SER CA C 13 59.727 0.2 A 141 SER CB C 13 64.737 0.2 A 141 SER N N 15 123.270 0.2 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 12 GLN H A 12 GLN HG2 1.0 0.0 4.99 2 1 A 12 GLN H A 12 GLN HG3 1.0 0.0 4.99 3 2 A 14 LEU H A 14 LEU HD1% 1.0 0.0 5.43 4 3 A 14 LEU H A 14 LEU HD2% 1.0 0.0 5.78 5 4 A 14 LEU H A 13 GLU HA 1.0 0.0 3.60 6 5 A 15 PRO HA A 16 ASP H 1.0 0.0 3.43 7 6 A 17 SER H A 16 ASP HBx 1.0 0.0 5.78 8 7 A 17 SER H A 16 ASP HBy 1.0 0.0 5.78 9 8 A 19 ALA H A 19 ALA HB% 1.0 0.0 3.53 10 9 A 20 LEU H A 20 LEU HD1% 1.0 0.0 5.01 11 10 A 20 LEU H A 20 LEU HBx 1.0 0.0 4.16 12 11 A 20 LEU H A 20 LEU HBy 1.0 0.0 4.16 13 12 A 22 LEU H A 22 LEU HD2% 1.0 0.0 5.01 14 13 A 22 LEU H A 22 LEU HD1% 1.0 0.0 5.23 15 14 A 22 LEU H A 22 LEU HG 1.0 0.0 5.13 16 15 A 50 TRP H A 49 PRO HBx 1.0 0.0 4.68 17 16 A 22 LEU H A 21 MET HA 1.0 0.0 3.54 18 17 A 50 TRP H A 51 ARG H 1.0 0.0 5.02 19 18 A 50 TRP H A 108 MET H 1.0 0.0 4.95 20 19 A 23 VAL H A 89 ASP HA 1.0 0.0 5.31 21 20 A 23 VAL HG2% A 25 ASN H 1.0 0.0 5.03 22 21 A 25 ASN H A 24 PRO HD2 1.0 0.0 5.22 23 21 A 25 ASN H A 24 PRO HD3 1.0 0.0 5.22 24 22 A 25 ASN H A 24 PRO HA 1.0 0.0 3.73 25 23 A 42 VAL H A 42 VAL HB 1.0 0.0 3.79 26 24 A 42 VAL H A 41 LYS HG2 1.0 0.0 5.08 27 24 A 42 VAL H A 41 LYS HG3 1.0 0.0 5.08 28 25 A 26 ARG H A 25 ASN HBy 1.0 0.0 5.28 29 26 A 26 ARG H A 26 ARG HDy 1.0 0.0 5.78 30 27 A 26 ARG H A 26 ARG HDx 1.0 0.0 5.78 31 28 A 27 GLN H A 26 ARG HBx 1.0 0.0 5.01 32 29 A 27 GLN H A 26 ARG HBy 1.0 0.0 5.01 33 30 A 27 GLN H A 27 GLN HBx 1.0 0.0 4.34 34 31 A 27 GLN H A 27 GLN HG2 1.0 0.0 4.17 35 31 A 27 GLN H A 27 GLN HG3 1.0 0.0 4.17 36 32 A 27 GLN H A 26 ARG HA 1.0 0.0 3.53 37 33 A 28 LEU H A 71 ILE HD1% 1.0 0.0 4.90 38 34 A 28 LEU H A 28 LEU HG 1.0 0.0 4.42 39 35 A 28 LEU H A 27 GLN HBy 1.0 0.0 5.02 40 36 A 28 LEU H A 69 GLN HE22 1.0 0.0 4.70 41 37 A 28 LEU H A 69 GLN HE21 1.0 0.0 4.94 42 38 A 28 LEU HB3 A 29 THR H 1.0 0.0 4.56 43 39 A 29 THR H A 32 TYR HBx 1.0 0.0 5.01 44 40 A 29 THR H A 32 TYR HBy 1.0 0.0 5.01 45 41 A 29 THR H A 28 LEU HA 1.0 0.0 3.65 46 42 A 30 ALA H A 71 ILE HG2% 1.0 0.0 5.03 47 43 A 30 ALA H A 30 ALA HB% 1.0 0.0 3.58 48 44 A 30 ALA H A 29 THR HA 1.0 0.0 3.70 49 45 A 30 ALA HB% A 31 ASP H 1.0 0.0 3.75 50 46 A 31 ASP H A 31 ASP HB2 1.0 0.0 3.55 51 46 A 31 ASP H A 31 ASP HB3 1.0 0.0 3.55 52 47 A 29 THR HA A 31 ASP H 1.0 0.0 5.25 53 48 A 30 ALA H A 29 THR HB 1.0 0.0 4.03 54 49 A 31 ASP H A 29 THR HB 1.0 0.0 4.20 55 50 A 31 ASP H A 32 TYR H 1.0 0.0 4.03 56 51 A 30 ALA H A 31 ASP H 1.0 0.0 4.26 57 52 A 30 ALA HB% A 32 TYR H 1.0 0.0 5.41 58 53 A 32 TYR H A 31 ASP HB2 1.0 0.0 4.15 59 53 A 31 ASP HB3 A 32 TYR H 1.0 0.0 4.15 60 54 A 32 TYR H A 32 TYR HBx 1.0 0.0 3.91 61 55 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.91 62 56 A 29 THR HB A 32 TYR H 1.0 0.0 5.12 63 57 A 32 TYR H A 33 PHE H 1.0 0.0 4.01 64 58 A 33 PHE H A 33 PHE HB2 1.0 0.0 4.03 65 59 A 33 PHE H A 32 TYR HBx 1.0 0.0 4.80 66 60 A 33 PHE H A 32 TYR HBy 1.0 0.0 4.80 67 61 A 33 PHE H A 33 PHE HB3 1.0 0.0 4.15 68 62 A 33 PHE H A 30 ALA HA 1.0 0.0 4.82 69 63 A 33 PHE H A 33 PHE HD% 1.0 0.0 4.89 70 64 A 33 PHE H A 34 GLU H 1.0 0.0 4.16 71 65 A 34 GLU H A 34 GLU HBx 1.0 0.0 3.96 72 66 A 34 GLU H A 34 GLU HBy 1.0 0.0 3.96 73 67 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.70 74 68 A 33 PHE HB2 A 34 GLU H 1.0 0.0 4.66 75 69 A 33 PHE HB3 A 34 GLU H 1.0 0.0 4.28 76 70 A 34 GLU H A 31 ASP HA 1.0 0.0 5.08 77 71 A 33 PHE HD% A 34 GLU H 1.0 0.0 4.62 78 72 A 34 GLU H A 35 LYS H 1.0 0.0 3.98 79 73 A 35 LYS H A 35 LYS HGx 1.0 0.0 4.88 80 74 A 35 LYS H A 35 LYS HGy 1.0 0.0 4.88 81 75 A 35 LYS H A 35 LYS HD2 1.0 0.0 5.33 82 75 A 35 LYS H A 35 LYS HD3 1.0 0.0 5.33 83 76 A 35 LYS H A 35 LYS HBy 1.0 0.0 4.06 84 77 A 35 LYS H A 34 GLU HBx 1.0 0.0 4.40 85 78 A 35 LYS H A 34 GLU HBy 1.0 0.0 4.40 86 79 A 35 LYS H A 34 GLU HGx 1.0 0.0 5.23 87 80 A 36 THR H A 36 THR HG2% 1.0 0.0 4.43 88 81 A 36 THR H A 36 THR HB 1.0 0.0 3.86 89 82 A 36 THR H A 37 TRP H 1.0 0.0 4.15 90 83 A 37 TRP H A 96 LEU HD1% 1.0 0.0 5.34 91 84 A 36 THR HG2% A 37 TRP H 1.0 0.0 4.66 92 85 A 37 TRP H A 37 TRP HB2 1.0 0.0 4.18 93 86 A 37 TRP H A 37 TRP HB3 1.0 0.0 4.09 94 87 A 36 THR HB A 37 TRP H 1.0 0.0 4.35 95 88 A 37 TRP H A 34 GLU HA 1.0 0.0 5.00 96 89 A 37 TRP H A 38 LEU H 1.0 0.0 4.29 97 90 A 37 TRP HE1 A 38 LEU HD2% 1.0 0.0 5.20 98 91 A 38 LEU H A 38 LEU HD1% 1.0 0.0 4.43 99 92 A 38 LEU H A 38 LEU HB3 1.0 0.0 4.17 100 93 A 38 LEU H A 38 LEU HB2 1.0 0.0 3.83 101 94 A 38 LEU H A 38 LEU HG 1.0 0.0 3.89 102 95 A 37 TRP HB3 A 38 LEU H 1.0 0.0 4.38 103 96 A 38 LEU HD1% A 39 SER H 1.0 0.0 5.12 104 97 A 38 LEU HB3 A 39 SER H 1.0 0.0 4.73 105 98 A 38 LEU HB2 A 39 SER H 1.0 0.0 4.42 106 99 A 39 SER H A 37 TRP HA 1.0 0.0 4.85 107 100 A 39 SER H A 39 SER HBx 1.0 0.0 3.97 108 101 A 39 SER H A 39 SER HBy 1.0 0.0 3.97 109 102 A 39 SER H A 40 LEU H 1.0 0.0 3.78 110 103 A 38 LEU H A 39 SER H 1.0 0.0 3.95 111 104 A 40 LEU H A 40 LEU HD1% 1.0 0.0 4.65 112 105 A 40 LEU H A 40 LEU HD2% 1.0 0.0 4.24 113 106 A 40 LEU H A 40 LEU HB2 1.0 0.0 3.85 114 106 A 40 LEU H A 40 LEU HB3 1.0 0.0 3.85 115 107 A 40 LEU H A 40 LEU HG 1.0 0.0 4.20 116 108 A 37 TRP HA A 40 LEU H 1.0 0.0 5.10 117 109 A 39 SER HBx A 40 LEU H 1.0 0.0 5.51 118 110 A 40 LEU H A 38 LEU HA 1.0 0.0 5.10 119 111 A 39 SER HBy A 40 LEU H 1.0 0.0 5.51 120 112 A 40 LEU HD2% A 41 LYS H 1.0 0.0 4.40 121 113 A 41 LYS H A 41 LYS HG2 1.0 0.0 4.06 122 113 A 41 LYS HG3 A 41 LYS H 1.0 0.0 4.06 123 114 A 41 LYS H A 40 LEU HB2 1.0 0.0 4.47 124 114 A 40 LEU HB3 A 41 LYS H 1.0 0.0 4.47 125 115 A 41 LYS H A 41 LYS HBx 1.0 0.0 4.29 126 116 A 41 LYS H A 41 LYS HBy 1.0 0.0 4.29 127 117 A 41 LYS H A 40 LEU HA 1.0 0.0 3.63 128 118 A 40 LEU H A 41 LYS H 1.0 0.0 5.35 129 119 A 42 VAL H A 42 VAL HG2% 1.0 0.0 3.70 130 120 A 42 VAL H A 41 LYS HA 1.0 0.0 3.68 131 121 A 42 VAL HG1% A 43 ALA H 1.0 0.0 4.25 132 122 A 43 ALA H A 113 LYS HA 1.0 0.0 5.12 133 123 A 44 HIS H A 112 VAL HB 1.0 0.0 4.96 134 124 A 44 HIS H A 42 VAL HA 1.0 0.0 5.09 135 125 A 43 ALA H A 44 HIS H 1.0 0.0 4.18 136 126 A 42 VAL HG1% A 45 GLN H 1.0 0.0 4.99 137 127 A 42 VAL HG1% A 45 GLN HE21 1.0 0.0 4.75 138 128 A 42 VAL HG2% A 45 GLN HE21 1.0 0.0 5.41 139 129 A 45 GLN HE21 A 45 GLN HBy 1.0 0.0 5.31 140 130 A 45 GLN HE21 A 45 GLN HBx 1.0 0.0 5.31 141 131 A 42 VAL HG1% A 45 GLN HE22 1.0 0.0 4.96 142 132 A 42 VAL HG2% A 45 GLN HE22 1.0 0.0 5.38 143 133 A 46 GLN H A 47 VAL HG2% 1.0 0.0 5.13 144 134 A 46 GLN H A 110 ILE HB 1.0 0.0 4.75 145 135 A 46 GLN H A 45 GLN HGx 1.0 0.0 4.65 146 136 A 46 GLN H A 45 GLN HGy 1.0 0.0 4.65 147 137 A 46 GLN H A 45 GLN HA 1.0 0.0 3.46 148 138 A 46 GLN H A 111 SER HA 1.0 0.0 4.67 149 139 A 46 GLN H A 110 ILE H 1.0 0.0 4.41 150 140 A 47 VAL HG2% A 47 VAL H 1.0 0.0 3.79 151 141 A 47 VAL H A 47 VAL HB 1.0 0.0 4.13 152 142 A 47 VAL H A 46 GLN HA 1.0 0.0 3.54 153 143 A 47 VAL HA A 48 LEU H 1.0 0.0 3.56 154 144 A 48 LEU H A 109 GLN HA 1.0 0.0 4.89 155 145 A 51 ARG HBx A 52 GLY H 1.0 0.0 5.65 156 146 A 52 GLY H A 51 ARG HBy 1.0 0.0 5.65 157 147 A 51 ARG H A 52 GLY H 1.0 0.0 4.91 158 148 A 53 GLU H A 53 GLU HB2 1.0 0.0 3.54 159 148 A 53 GLU H A 53 GLU HB3 1.0 0.0 3.54 160 149 A 53 GLU H A 53 GLU HGx 1.0 0.0 4.44 161 150 A 53 GLU H A 53 GLU HGy 1.0 0.0 4.44 162 151 A 52 GLY H A 53 GLU H 1.0 0.0 5.04 163 152 A 54 PHE H A 53 GLU HB2 1.0 0.0 4.34 164 152 A 53 GLU HB3 A 54 PHE H 1.0 0.0 4.34 165 153 A 54 PHE H A 53 GLU HA 1.0 0.0 3.73 166 154 A 54 PHE HD% A 55 HIS H 1.0 0.0 5.11 167 155 A 57 ASP H A 59 LEU H 1.0 0.0 5.11 168 156 A 58 THR H A 61 MET HB2 1.0 0.0 5.32 169 156 A 58 THR H A 61 MET HB3 1.0 0.0 5.32 170 157 A 58 THR H A 57 ASP HBx 1.0 0.0 4.99 171 158 A 58 THR H A 55 HIS HBx 1.0 0.0 5.02 172 159 A 58 THR H A 55 HIS HBy 1.0 0.0 5.02 173 160 A 58 THR H A 58 THR HB 1.0 0.0 3.91 174 161 A 59 LEU H A 58 THR H 1.0 0.0 3.93 175 162 A 57 ASP H A 58 THR H 1.0 0.0 3.99 176 163 A 59 LEU H A 59 LEU HBx 1.0 0.0 4.08 177 164 A 59 LEU H A 59 LEU HG 1.0 0.0 5.38 178 165 A 59 LEU H A 59 LEU HBy 1.0 0.0 4.08 179 166 A 59 LEU H A 56 PRO HA 1.0 0.0 4.88 180 167 A 59 LEU H A 58 THR HB 1.0 0.0 4.30 181 168 A 59 LEU H A 61 MET H 1.0 0.0 5.17 182 169 A 59 LEU HD1% A 60 GLN H 1.0 0.0 5.17 183 170 A 60 GLN H A 59 LEU HBx 1.0 0.0 4.96 184 171 A 60 GLN H A 59 LEU HBy 1.0 0.0 4.96 185 172 A 60 GLN H A 60 GLN HBx 1.0 0.0 4.07 186 173 A 60 GLN H A 60 GLN HBy 1.0 0.0 4.07 187 174 A 60 GLN H A 60 GLN HGx 1.0 0.0 5.12 188 175 A 60 GLN H A 60 GLN HGy 1.0 0.0 5.12 189 176 A 60 GLN H A 57 ASP HA 1.0 0.0 5.25 190 177 A 59 LEU H A 60 GLN H 1.0 0.0 4.18 191 178 A 61 MET H A 60 GLN H 1.0 0.0 4.19 192 179 A 61 MET H A 62 ALA HB% 1.0 0.0 5.32 193 180 A 61 MET H A 61 MET HB2 1.0 0.0 3.56 194 180 A 61 MET HB3 A 61 MET H 1.0 0.0 3.56 195 181 A 61 MET H A 60 GLN HBy 1.0 0.0 4.71 196 182 A 60 GLN HE21 A 70 THR HB 1.0 0.0 4.95 197 183 A 62 ALA H A 132 VAL HG1% 1.0 0.0 5.34 198 184 A 62 ALA H A 136 ILE HD1% 1.0 0.0 5.78 199 185 A 59 LEU HD1% A 62 ALA H 1.0 0.0 5.55 200 186 A 62 ALA H A 61 MET HB2 1.0 0.0 4.18 201 186 A 61 MET HB3 A 62 ALA H 1.0 0.0 4.18 202 187 A 63 LEU H A 63 LEU HD1% 1.0 0.0 4.44 203 188 A 62 ALA HB% A 63 LEU H 1.0 0.0 3.89 204 189 A 63 LEU H A 63 LEU HG 1.0 0.0 4.06 205 190 A 62 ALA H A 63 LEU H 1.0 0.0 3.84 206 191 A 63 LEU HD1% A 64 GLN H 1.0 0.0 5.49 207 192 A 64 GLN H A 63 LEU HD2% 1.0 0.0 5.78 208 193 A 64 GLN H A 63 LEU HBy 1.0 0.0 5.06 209 194 A 63 LEU HG A 64 GLN H 1.0 0.0 5.44 210 195 A 64 GLN H A 63 LEU HBx 1.0 0.0 5.06 211 196 A 64 GLN H A 64 GLN HBx 1.0 0.0 4.00 212 197 A 64 GLN H A 64 GLN HBy 1.0 0.0 4.00 213 198 A 64 GLN H A 61 MET HA 1.0 0.0 4.68 214 199 A 64 GLN H A 65 VAL H 1.0 0.0 4.04 215 200 A 63 LEU H A 64 GLN H 1.0 0.0 4.05 216 201 A 65 VAL H A 66 VAL HG2% 1.0 0.0 5.03 217 202 A 65 VAL H A 65 VAL HB 1.0 0.0 3.61 218 203 A 65 VAL H A 64 GLN HGx 1.0 0.0 5.78 219 204 A 65 VAL H A 64 GLN HGy 1.0 0.0 5.78 220 205 A 65 VAL H A 63 LEU HA 1.0 0.0 5.51 221 206 A 65 VAL H A 66 VAL H 1.0 0.0 4.06 222 207 A 66 VAL HG2% A 66 VAL H 1.0 0.0 3.59 223 208 A 66 VAL H A 65 VAL HG1% 1.0 0.0 4.55 224 209 A 65 VAL HB A 66 VAL H 1.0 0.0 4.34 225 210 A 63 LEU HA A 66 VAL H 1.0 0.0 5.04 226 211 A 66 VAL H A 64 GLN HA 1.0 0.0 5.59 227 212 A 66 VAL H A 67 ASN H 1.0 0.0 3.85 228 213 A 66 VAL HG2% A 67 ASN H 1.0 0.0 4.67 229 214 A 64 GLN HA A 67 ASN H 1.0 0.0 4.75 230 215 A 66 VAL HG2% A 68 ILE H 1.0 0.0 4.03 231 216 A 68 ILE H A 68 ILE HG2% 1.0 0.0 4.63 232 217 A 68 ILE H A 68 ILE HB 1.0 0.0 4.04 233 218 A 64 GLN HA A 68 ILE H 1.0 0.0 4.08 234 219 A 66 VAL H A 68 ILE H 1.0 0.0 4.73 235 220 A 67 ASN H A 68 ILE H 1.0 0.0 4.13 236 221 A 68 ILE HG2% A 69 GLN H 1.0 0.0 4.24 237 222 A 69 GLN H A 68 ILE HD1% 1.0 0.0 5.03 238 223 A 69 GLN H A 85 LEU HD2% 1.0 0.0 5.45 239 224 A 69 GLN H A 87 ALA HB% 1.0 0.0 4.80 240 225 A 69 GLN H A 69 GLN HGx 1.0 0.0 4.96 241 226 A 69 GLN HE22 A 27 GLN HA 1.0 0.0 4.89 242 227 A 70 THR H A 70 THR HG2% 1.0 0.0 4.73 243 228 A 70 THR H A 69 GLN HGx 1.0 0.0 4.96 244 229 A 70 THR H A 69 GLN HGy 1.0 0.0 4.96 245 230 A 70 THR HB A 70 THR H 1.0 0.0 3.87 246 231 A 70 THR H A 69 GLN HA 1.0 0.0 3.69 247 232 A 70 THR H A 70 THR HG1 1.0 0.0 4.50 248 233 A 69 GLN H A 70 THR H 1.0 0.0 5.75 249 234 A 70 THR H A 71 ILE H 1.0 0.0 5.78 250 235 A 71 ILE HG2% A 71 ILE H 1.0 0.0 5.01 251 236 A 71 ILE HG2% A 72 ALA H 1.0 0.0 4.61 252 237 A 70 THR HG2% A 72 ALA H 1.0 0.0 4.17 253 238 A 72 ALA H A 71 ILE HB 1.0 0.0 4.37 254 239 A 72 ALA H A 84 TYR HB2 1.0 0.0 4.59 255 239 A 72 ALA H A 84 TYR HB3 1.0 0.0 4.59 256 240 A 71 ILE H A 72 ALA H 1.0 0.0 3.85 257 241 A 70 THR HG2% A 73 MET H 1.0 0.0 5.27 258 242 A 73 MET H A 83 ALA HB% 1.0 0.0 5.78 259 243 A 73 MET H A 72 ALA HA 1.0 0.0 3.41 260 244 A 72 ALA H A 73 MET H 1.0 0.0 5.09 261 245 A 83 ALA HB% A 74 SER H 1.0 0.0 4.65 262 246 A 74 SER H A 73 MET HBy 1.0 0.0 5.22 263 247 A 74 SER H A 73 MET HBx 1.0 0.0 5.22 264 248 A 74 SER H A 83 ALA HA 1.0 0.0 4.57 265 249 A 74 SER H A 73 MET HA 1.0 0.0 3.60 266 250 A 75 ARG H A 75 ARG HBx 1.0 0.0 4.35 267 251 A 75 ARG H A 75 ARG HBy 1.0 0.0 4.35 268 252 A 75 ARG H A 74 SER HBx 1.0 0.0 4.90 269 253 A 75 ARG H A 74 SER HA 1.0 0.0 3.51 270 254 A 74 SER H A 75 ARG H 1.0 0.0 5.27 271 255 A 76 ALA H A 75 ARG HG2 1.0 0.0 4.82 272 255 A 75 ARG HG3 A 76 ALA H 1.0 0.0 4.82 273 256 A 76 ALA H A 75 ARG HBy 1.0 0.0 5.13 274 257 A 76 ALA H A 75 ARG HA 1.0 0.0 3.73 275 258 A 76 ALA HB% A 77 GLY H 1.0 0.0 4.89 276 259 A 78 SER H A 78 SER HBx 1.0 0.0 4.22 277 260 A 78 SER H A 78 SER HBy 1.0 0.0 4.22 278 261 A 78 SER H A 76 ALA HA 1.0 0.0 4.63 279 262 A 78 SER H A 81 TRP HD1 1.0 0.0 4.87 280 263 A 77 GLY H A 78 SER H 1.0 0.0 4.60 281 264 A 79 ARG H A 78 SER HBy 1.0 0.0 5.28 282 265 A 79 ARG H A 78 SER HBx 1.0 0.0 5.28 283 266 A 79 ARG H A 78 SER HA 1.0 0.0 3.55 284 267 A 81 TRP H A 101 LEU H 1.0 0.0 4.94 285 268 A 81 TRP HE1 A 56 PRO HGx 1.0 0.0 5.26 286 269 A 81 TRP HE1 A 56 PRO HBx 1.0 0.0 5.37 287 270 A 81 TRP HE1 A 56 PRO HBy 1.0 0.0 5.37 288 271 A 76 ALA HA A 81 TRP HE1 1.0 0.0 5.26 289 272 A 82 LYS H A 82 LYS HG2 1.0 0.0 4.54 290 272 A 82 LYS H A 82 LYS HG3 1.0 0.0 4.54 291 273 A 82 LYS H A 74 SER HBx 1.0 0.0 4.87 292 274 A 82 LYS H A 74 SER HBy 1.0 0.0 4.87 293 275 A 83 ALA H A 82 LYS HG2 1.0 0.0 4.22 294 275 A 82 LYS HG3 A 83 ALA H 1.0 0.0 4.22 295 276 A 83 ALA H A 82 LYS HB2 1.0 0.0 4.42 296 276 A 83 ALA H A 82 LYS HB3 1.0 0.0 4.42 297 277 A 83 ALA H A 82 LYS HD2 1.0 0.0 5.78 298 277 A 83 ALA H A 82 LYS HD3 1.0 0.0 5.78 299 278 A 83 ALA H A 99 LEU HB2 1.0 0.0 4.53 300 278 A 83 ALA H A 99 LEU HB3 1.0 0.0 4.53 301 279 A 83 ALA H A 82 LYS HA 1.0 0.0 3.69 302 280 A 83 ALA H A 99 LEU H 1.0 0.0 4.30 303 281 A 85 LEU HD2% A 84 TYR H 1.0 0.0 5.37 304 282 A 83 ALA HB% A 84 TYR H 1.0 0.0 3.92 305 283 A 84 TYR H A 72 ALA HB% 1.0 0.0 4.81 306 284 A 84 TYR H A 84 TYR HB2 1.0 0.0 4.18 307 284 A 84 TYR HB3 A 84 TYR H 1.0 0.0 4.18 308 285 A 83 ALA HA A 84 TYR H 1.0 0.0 3.64 309 286 A 73 MET HA A 84 TYR H 1.0 0.0 4.87 310 287 A 84 TYR H A 84 TYR HD% 1.0 0.0 5.27 311 288 A 72 ALA H A 84 TYR H 1.0 0.0 4.43 312 289 A 85 LEU H A 85 LEU HD1% 1.0 0.0 5.20 313 290 A 85 LEU HD2% A 85 LEU H 1.0 0.0 5.49 314 291 A 85 LEU H A 85 LEU HG 1.0 0.0 4.57 315 292 A 85 LEU H A 84 TYR HB2 1.0 0.0 4.98 316 292 A 84 TYR HB3 A 85 LEU H 1.0 0.0 4.98 317 293 A 85 LEU HD2% A 86 SER H 1.0 0.0 4.73 318 294 A 68 ILE HG2% A 86 SER H 1.0 0.0 4.83 319 295 A 86 SER H A 70 THR HA 1.0 0.0 5.00 320 296 A 86 SER H A 33 PHE HE% 1.0 0.0 5.21 321 297 A 69 GLN H A 86 SER H 1.0 0.0 4.94 322 298 A 71 ILE H A 86 SER H 1.0 0.0 5.32 323 299 A 68 ILE HD1% A 87 ALA H 1.0 0.0 5.55 324 300 A 87 ALA H A 96 LEU HD2% 1.0 0.0 5.78 325 301 A 87 ALA H A 94 LEU HD2% 1.0 0.0 4.96 326 302 A 87 ALA H A 94 LEU HD1% 1.0 0.0 5.28 327 303 A 87 ALA HB% A 87 ALA H 1.0 0.0 4.32 328 304 A 87 ALA H A 86 SER HBy 1.0 0.0 4.82 329 305 A 87 ALA H A 94 LEU HA 1.0 0.0 5.78 330 306 A 87 ALA H A 95 PHE HA 1.0 0.0 5.78 331 307 A 87 ALA H A 95 PHE H 1.0 0.0 4.62 332 308 A 22 LEU HD2% A 88 GLN H 1.0 0.0 5.25 333 309 A 23 VAL HG2% A 88 GLN HE21 1.0 0.0 5.07 334 310 A 23 VAL HG2% A 89 ASP H 1.0 0.0 5.78 335 311 A 89 ASP H A 88 GLN HGx 1.0 0.0 5.28 336 312 A 89 ASP H A 88 GLN HGy 1.0 0.0 5.28 337 313 A 88 GLN H A 89 ASP H 1.0 0.0 5.29 338 314 A 89 ASP HB2 A 90 ASP H 1.0 0.0 4.13 339 315 A 91 THR HG2% A 92 GLY H 1.0 0.0 5.30 340 316 A 92 GLY H A 91 THR H 1.0 0.0 3.77 341 317 A 93 CYS H A 93 CYS HBx 1.0 0.0 4.32 342 318 A 93 CYS H A 93 CYS HBy 1.0 0.0 4.32 343 319 A 89 ASP H A 93 CYS H 1.0 0.0 4.87 344 320 A 91 THR H A 93 CYS H 1.0 0.0 5.27 345 321 A 94 LEU H A 94 LEU HB2 1.0 0.0 3.99 346 321 A 94 LEU H A 94 LEU HB3 1.0 0.0 3.99 347 322 A 94 LEU H A 94 LEU HG 1.0 0.0 5.02 348 323 A 94 LEU H A 93 CYS HA 1.0 0.0 3.66 349 324 A 94 LEU HD2% A 95 PHE H 1.0 0.0 5.39 350 325 A 95 PHE H A 94 LEU HB2 1.0 0.0 4.75 351 325 A 95 PHE H A 94 LEU HB3 1.0 0.0 4.75 352 326 A 95 PHE H A 94 LEU HG 1.0 0.0 5.78 353 327 A 95 PHE H A 96 LEU HG 1.0 0.0 5.78 354 328 A 94 LEU HA A 95 PHE H 1.0 0.0 3.69 355 329 A 95 PHE H A 86 SER HA 1.0 0.0 5.41 356 330 A 96 LEU HG A 96 LEU H 1.0 0.0 4.64 357 331 A 96 LEU H A 114 GLN HA 1.0 0.0 5.16 358 332 A 96 LEU H A 113 LYS H 1.0 0.0 5.15 359 333 A 97 THR H A 97 THR HG2% 1.0 0.0 5.01 360 334 A 97 THR H A 97 THR HG1 1.0 0.0 5.29 361 335 A 33 PHE HE% A 97 THR H 1.0 0.0 5.11 362 336 A 97 THR H A 37 TRP HZ3 1.0 0.0 5.34 363 337 A 33 PHE HD% A 97 THR H 1.0 0.0 5.52 364 338 A 85 LEU H A 97 THR H 1.0 0.0 4.67 365 339 A 97 THR HG2% A 98 GLU H 1.0 0.0 4.09 366 340 A 98 GLU H A 112 VAL HA 1.0 0.0 5.08 367 341 A 99 LEU H A 82 LYS HG2 1.0 0.0 5.78 368 341 A 82 LYS HG3 A 99 LEU H 1.0 0.0 5.78 369 342 A 99 LEU H A 99 LEU HD1% 1.0 0.0 5.78 370 343 A 99 LEU H A 99 LEU HD2% 1.0 0.0 4.98 371 344 A 83 ALA HB% A 99 LEU H 1.0 0.0 5.13 372 345 A 99 LEU H A 99 LEU HG 1.0 0.0 4.51 373 346 A 100 LEU H A 100 LEU HD1% 1.0 0.0 4.79 374 346 A 100 LEU H A 100 LEU HD2% 1.0 0.0 4.79 375 347 A 100 LEU H A 99 LEU HB2 1.0 0.0 4.42 376 347 A 99 LEU HB3 A 100 LEU H 1.0 0.0 4.42 377 348 A 100 LEU H A 108 MET HG2 1.0 0.0 4.58 378 348 A 100 LEU H A 108 MET HG3 1.0 0.0 4.58 379 349 A 100 LEU H A 108 MET HA 1.0 0.0 5.52 380 350 A 100 LEU H A 110 ILE HA 1.0 0.0 5.71 381 351 A 100 LEU H A 99 LEU HA 1.0 0.0 3.59 382 352 A 100 LEU H A 109 GLN H 1.0 0.0 4.50 383 353 A 101 LEU H A 82 LYS HA 1.0 0.0 5.29 384 354 A 101 LEU HG A 102 GLU H 1.0 0.0 5.37 385 355 A 104 GLY H A 105 ASN H 1.0 0.0 4.90 386 356 A 106 SER H A 107 GLU H 1.0 0.0 4.30 387 357 A 105 ASN H A 106 SER H 1.0 0.0 4.78 388 358 A 107 GLU H A 101 LEU HD1% 1.0 0.0 4.97 389 359 A 107 GLU H A 107 GLU HB2 1.0 0.0 3.91 390 359 A 107 GLU H A 107 GLU HB3 1.0 0.0 3.91 391 360 A 107 GLU H A 107 GLU HGx 1.0 0.0 4.81 392 361 A 107 GLU H A 107 GLU HGy 1.0 0.0 4.81 393 362 A 107 GLU H A 105 ASN HBx 1.0 0.0 5.09 394 363 A 107 GLU H A 105 ASN HBy 1.0 0.0 5.09 395 364 A 107 GLU H A 106 SER HB2 1.0 0.0 4.87 396 364 A 107 GLU H A 106 SER HB3 1.0 0.0 4.87 397 365 A 108 MET H A 108 MET HBx 1.0 0.0 4.30 398 366 A 108 MET H A 107 GLU HB2 1.0 0.0 4.48 399 366 A 108 MET H A 107 GLU HB3 1.0 0.0 4.48 400 367 A 108 MET H A 108 MET HBy 1.0 0.0 4.30 401 368 A 108 MET H A 49 PRO HA 1.0 0.0 4.99 402 369 A 108 MET H A 107 GLU HA 1.0 0.0 3.62 403 370 A 108 MET H A 48 LEU H 1.0 0.0 4.50 404 371 A 109 GLN H A 47 VAL HG1% 1.0 0.0 5.42 405 372 A 109 GLN H A 100 LEU HD1% 1.0 0.0 5.78 406 372 A 100 LEU HD2% A 109 GLN H 1.0 0.0 5.78 407 373 A 109 GLN H A 108 MET HG2 1.0 0.0 4.12 408 373 A 108 MET HG3 A 109 GLN H 1.0 0.0 4.12 409 374 A 108 MET HA A 109 GLN H 1.0 0.0 3.71 410 375 A 109 GLN HE21 A 100 LEU HD1% 1.0 0.0 4.45 411 375 A 100 LEU HD2% A 109 GLN HE21 1.0 0.0 4.45 412 376 A 109 GLN HE21 A 109 GLN HBy 1.0 0.0 4.88 413 377 A 109 GLN HE21 A 109 GLN HBx 1.0 0.0 4.88 414 378 A 109 GLN HE22 A 109 GLN HBy 1.0 0.0 5.21 415 379 A 109 GLN HE22 A 109 GLN HBx 1.0 0.0 5.21 416 380 A 47 VAL HG2% A 110 ILE H 1.0 0.0 4.66 417 381 A 110 ILE H A 110 ILE HG12 1.0 0.0 4.87 418 382 A 110 ILE HB A 110 ILE H 1.0 0.0 4.24 419 383 A 110 ILE H A 109 GLN HGx 1.0 0.0 5.46 420 384 A 110 ILE H A 109 GLN HA 1.0 0.0 3.68 421 385 A 110 ILE H A 47 VAL HA 1.0 0.0 4.55 422 386 A 110 ILE HG2% A 111 SER H 1.0 0.0 4.29 423 387 A 97 THR HG2% A 111 SER H 1.0 0.0 4.54 424 388 A 110 ILE HB A 111 SER H 1.0 0.0 5.04 425 389 A 110 ILE HA A 111 SER H 1.0 0.0 3.60 426 390 A 99 LEU HA A 111 SER H 1.0 0.0 5.22 427 391 A 98 GLU H A 111 SER H 1.0 0.0 4.61 428 392 A 42 VAL HG1% A 112 VAL H 1.0 0.0 4.43 429 393 A 112 VAL H A 112 VAL HG2% 1.0 0.0 4.21 430 394 A 112 VAL HB A 112 VAL H 1.0 0.0 4.42 431 395 A 45 GLN HA A 112 VAL H 1.0 0.0 5.07 432 396 A 111 SER HA A 112 VAL H 1.0 0.0 3.72 433 397 A 44 HIS H A 112 VAL H 1.0 0.0 4.69 434 398 A 113 LYS H A 97 THR HG2% 1.0 0.0 5.71 435 399 A 113 LYS H A 98 GLU H 1.0 0.0 5.78 436 400 A 113 LYS H A 112 VAL H 1.0 0.0 5.78 437 401 A 40 LEU HD1% A 114 GLN H 1.0 0.0 5.04 438 402 A 114 GLN H A 43 ALA HB% 1.0 0.0 4.43 439 403 A 114 GLN H A 114 GLN HG2 1.0 0.0 4.99 440 403 A 114 GLN H A 114 GLN HG3 1.0 0.0 4.99 441 404 A 40 LEU HD1% A 115 ASN H 1.0 0.0 4.99 442 405 A 115 ASN H A 94 LEU HB2 1.0 0.0 4.83 443 405 A 94 LEU HB3 A 115 ASN H 1.0 0.0 4.83 444 406 A 115 ASN H A 114 GLN HBx 1.0 0.0 5.07 445 407 A 115 ASN H A 114 GLN HBy 1.0 0.0 5.07 446 408 A 114 GLN HA A 115 ASN H 1.0 0.0 3.66 447 409 A 115 ASN H A 116 GLU H 1.0 0.0 4.15 448 410 A 94 LEU HD1% A 115 ASN HD21 1.0 0.0 5.46 449 411 A 94 LEU H A 115 ASN HD21 1.0 0.0 5.23 450 412 A 94 LEU H A 115 ASN HD22 1.0 0.0 5.72 451 413 A 115 ASN H A 115 ASN HD22 1.0 0.0 5.78 452 414 A 116 GLU H A 114 GLN HG2 1.0 0.0 4.47 453 414 A 114 GLN HG3 A 116 GLU H 1.0 0.0 4.47 454 415 A 117 ALA H A 117 ALA HB% 1.0 0.0 3.32 455 416 A 117 ALA H A 116 GLU HBx 1.0 0.0 5.13 456 417 A 117 ALA H A 116 GLU HBy 1.0 0.0 5.13 457 418 A 117 ALA H A 116 GLU HG2 1.0 0.0 4.87 458 418 A 117 ALA H A 116 GLU HG3 1.0 0.0 4.87 459 419 A 117 ALA H A 116 GLU HA 1.0 0.0 3.37 460 420 A 116 GLU H A 117 ALA H 1.0 0.0 4.83 461 421 A 117 ALA HB% A 118 ARG H 1.0 0.0 3.89 462 422 A 118 ARG H A 118 ARG HG2 1.0 0.0 5.00 463 423 A 118 ARG H A 118 ARG HG3 1.0 0.0 4.82 464 424 A 118 ARG H A 117 ALA HA 1.0 0.0 3.33 465 425 A 118 ARG H A 114 GLN HE2x 1.0 0.0 4.98 466 426 A 118 ARG H A 114 GLN HE2y 1.0 0.0 4.98 467 427 A 117 ALA H A 118 ARG H 1.0 0.0 5.07 468 428 A 119 THR H A 119 THR HG2% 1.0 0.0 5.05 469 429 A 119 THR H A 120 GLU H 1.0 0.0 4.82 470 430 A 119 THR HG2% A 120 GLU H 1.0 0.0 5.26 471 431 A 118 ARG HG2 A 120 GLU H 1.0 0.0 5.46 472 432 A 118 ARG HG3 A 120 GLU H 1.0 0.0 5.18 473 433 A 120 GLU H A 120 GLU HB2 1.0 0.0 3.83 474 433 A 120 GLU H A 120 GLU HB3 1.0 0.0 3.83 475 434 A 120 GLU H A 120 GLU HG2 1.0 0.0 4.39 476 434 A 120 GLU H A 120 GLU HG3 1.0 0.0 4.39 477 435 A 120 GLU H A 119 THR HB 1.0 0.0 4.08 478 436 A 120 GLU H A 121 THR H 1.0 0.0 4.56 479 437 A 118 ARG HG2 A 121 THR H 1.0 0.0 4.74 480 438 A 121 THR H A 118 ARG HBx 1.0 0.0 5.42 481 439 A 121 THR H A 118 ARG HBy 1.0 0.0 5.42 482 440 A 121 THR H A 120 GLU HB2 1.0 0.0 4.37 483 440 A 120 GLU HB3 A 121 THR H 1.0 0.0 4.37 484 441 A 121 THR H A 122 LEU H 1.0 0.0 3.97 485 442 A 122 LEU H A 122 LEU HD1% 1.0 0.0 4.82 486 443 A 122 LEU H A 122 LEU HD2% 1.0 0.0 5.32 487 444 A 122 LEU H A 122 LEU HG 1.0 0.0 5.10 488 445 A 122 LEU H A 122 LEU HBx 1.0 0.0 4.20 489 446 A 122 LEU H A 122 LEU HBy 1.0 0.0 4.20 490 447 A 122 LEU H A 119 THR HA 1.0 0.0 5.20 491 448 A 122 LEU H A 121 THR HB 1.0 0.0 5.19 492 449 A 122 LEU HD2% A 123 ASN H 1.0 0.0 4.50 493 450 A 122 LEU HG A 123 ASN H 1.0 0.0 4.91 494 451 A 123 ASN H A 122 LEU HBx 1.0 0.0 4.57 495 452 A 123 ASN H A 122 LEU HBy 1.0 0.0 4.57 496 453 A 123 ASN H A 123 ASN HB3 1.0 0.0 4.19 497 454 A 123 ASN H A 123 ASN HB2 1.0 0.0 3.89 498 455 A 123 ASN H A 120 GLU HA 1.0 0.0 4.88 499 456 A 122 LEU H A 123 ASN H 1.0 0.0 4.01 500 457 A 120 GLU HA A 123 ASN HD21 1.0 0.0 5.15 501 458 A 123 ASN HB3 A 124 SER H 1.0 0.0 4.42 502 459 A 123 ASN HB2 A 124 SER H 1.0 0.0 4.40 503 460 A 124 SER H A 124 SER HBy 1.0 0.0 4.36 504 461 A 124 SER H A 124 SER HBx 1.0 0.0 4.36 505 462 A 123 ASN H A 124 SER H 1.0 0.0 4.17 506 463 A 124 SER H A 125 PHE H 1.0 0.0 4.39 507 464 A 125 PHE H A 122 LEU HA 1.0 0.0 5.40 508 465 A 126 ILE H A 126 ILE HG2% 1.0 0.0 4.36 509 466 A 126 ILE H A 126 ILE HG1x 1.0 0.0 4.32 510 467 A 126 ILE H A 126 ILE HG1y 1.0 0.0 4.32 511 468 A 126 ILE H A 126 ILE HB 1.0 0.0 3.94 512 469 A 126 ILE H A 125 PHE HBx 1.0 0.0 4.89 513 470 A 126 ILE H A 125 PHE HBy 1.0 0.0 4.89 514 471 A 126 ILE H A 123 ASN HA 1.0 0.0 4.79 515 472 A 126 ILE H A 125 PHE HD% 1.0 0.0 5.23 516 473 A 126 ILE HG2% A 127 SER H 1.0 0.0 4.42 517 474 A 127 SER H A 128 VAL HG2% 1.0 0.0 5.78 518 475 A 126 ILE HB A 127 SER H 1.0 0.0 4.07 519 476 A 127 SER H A 127 SER HB2 1.0 0.0 3.41 520 476 A 127 SER H A 127 SER HB3 1.0 0.0 3.41 521 477 A 126 ILE H A 127 SER H 1.0 0.0 4.04 522 478 A 128 VAL H A 128 VAL HG1% 1.0 0.0 4.44 523 479 A 128 VAL H A 128 VAL HB 1.0 0.0 3.78 524 480 A 128 VAL H A 125 PHE HA 1.0 0.0 5.01 525 481 A 128 VAL H A 127 SER HB2 1.0 0.0 4.05 526 481 A 127 SER HB3 A 128 VAL H 1.0 0.0 4.05 527 482 A 128 VAL H A 124 SER HA 1.0 0.0 5.32 528 483 A 128 VAL HG1% A 129 LEU H 1.0 0.0 4.43 529 484 A 129 LEU H A 129 LEU HD1% 1.0 0.0 4.90 530 485 A 128 VAL HG2% A 129 LEU H 1.0 0.0 4.56 531 486 A 129 LEU H A 129 LEU HBx 1.0 0.0 4.00 532 487 A 129 LEU H A 129 LEU HBy 1.0 0.0 4.00 533 488 A 128 VAL HB A 129 LEU H 1.0 0.0 4.03 534 489 A 129 LEU H A 126 ILE HA 1.0 0.0 4.91 535 490 A 129 LEU H A 130 GLU H 1.0 0.0 4.16 536 491 A 126 ILE HG2% A 130 GLU H 1.0 0.0 4.94 537 492 A 130 GLU H A 129 LEU HD2% 1.0 0.0 5.52 538 493 A 130 GLU H A 132 VAL HG2% 1.0 0.0 5.25 539 494 A 130 GLU H A 129 LEU HBx 1.0 0.0 4.29 540 495 A 130 GLU H A 129 LEU HBy 1.0 0.0 4.29 541 496 A 130 GLU H A 130 GLU HBx 1.0 0.0 4.40 542 497 A 130 GLU H A 130 GLU HBy 1.0 0.0 4.40 543 498 A 130 GLU H A 130 GLU HGx 1.0 0.0 4.67 544 499 A 130 GLU H A 130 GLU HGy 1.0 0.0 4.67 545 500 A 130 GLU H A 127 SER HA 1.0 0.0 4.66 546 501 A 131 THR H A 131 THR HG2% 1.0 0.0 4.32 547 502 A 131 THR H A 130 GLU HBx 1.0 0.0 4.49 548 503 A 131 THR H A 130 GLU HBy 1.0 0.0 4.49 549 504 A 131 THR H A 128 VAL HA 1.0 0.0 4.45 550 505 A 131 THR H A 131 THR HB 1.0 0.0 3.83 551 506 A 128 VAL H A 131 THR H 1.0 0.0 5.21 552 507 A 131 THR H A 132 VAL H 1.0 0.0 3.95 553 508 A 130 GLU H A 131 THR H 1.0 0.0 4.05 554 509 A 128 VAL HG1% A 132 VAL H 1.0 0.0 4.71 555 510 A 132 VAL H A 133 ILE HG13 1.0 0.0 5.25 556 511 A 132 VAL H A 132 VAL HB 1.0 0.0 3.94 557 512 A 128 VAL HA A 132 VAL H 1.0 0.0 5.23 558 513 A 132 VAL H A 129 LEU HA 1.0 0.0 5.41 559 514 A 131 THR HB A 132 VAL H 1.0 0.0 4.25 560 515 A 132 VAL HG1% A 133 ILE H 1.0 0.0 4.26 561 516 A 133 ILE H A 133 ILE HG2% 1.0 0.0 4.30 562 517 A 132 VAL HG2% A 133 ILE H 1.0 0.0 4.79 563 518 A 133 ILE HG13 A 133 ILE H 1.0 0.0 4.05 564 519 A 133 ILE H A 133 ILE HB 1.0 0.0 3.82 565 520 A 132 VAL HB A 133 ILE H 1.0 0.0 4.27 566 521 A 133 ILE HD1% A 134 GLY H 1.0 0.0 5.08 567 522 A 133 ILE HB A 134 GLY H 1.0 0.0 4.30 568 523 A 134 GLY H A 130 GLU HA 1.0 0.0 5.30 569 524 A 133 ILE H A 134 GLY H 1.0 0.0 4.04 570 525 A 135 THR H A 135 THR HG2% 1.0 0.0 3.94 571 526 A 135 THR H A 132 VAL HA 1.0 0.0 4.87 572 527 A 135 THR H A 136 ILE H 1.0 0.0 3.79 573 528 A 134 GLY H A 135 THR H 1.0 0.0 3.98 574 529 A 133 ILE H A 135 THR H 1.0 0.0 5.10 575 530 A 136 ILE HD1% A 136 ILE H 1.0 0.0 4.74 576 531 A 136 ILE H A 136 ILE HG2% 1.0 0.0 4.12 577 532 A 135 THR HG2% A 136 ILE H 1.0 0.0 4.60 578 533 A 136 ILE H A 136 ILE HG1x 1.0 0.0 4.39 579 534 A 136 ILE H A 136 ILE HG1y 1.0 0.0 4.39 580 535 A 136 ILE H A 136 ILE HB 1.0 0.0 3.83 581 536 A 136 ILE H A 137 GLU H 1.0 0.0 3.86 582 537 A 137 GLU H A 137 GLU HBx 1.0 0.0 4.18 583 538 A 137 GLU H A 137 GLU HBy 1.0 0.0 4.18 584 539 A 137 GLU H A 137 GLU HGx 1.0 0.0 4.77 585 540 A 136 ILE HB A 137 GLU H 1.0 0.0 4.21 586 541 A 138 GLU H A 138 GLU HGx 1.0 0.0 5.17 587 542 A 138 GLU H A 138 GLU HBx 1.0 0.0 4.30 588 543 A 138 GLU H A 138 GLU HBy 1.0 0.0 4.30 589 544 A 138 GLU H A 137 GLU HBy 1.0 0.0 5.27 590 545 A 138 GLU H A 137 GLU HBx 1.0 0.0 5.27 591 546 A 138 GLU H A 138 GLU HGy 1.0 0.0 5.17 592 547 A 138 GLU H A 137 GLU HA 1.0 0.0 3.63 593 548 A 139 ILE H A 139 ILE HG1x 1.0 0.0 4.34 594 549 A 139 ILE H A 139 ILE HG1y 1.0 0.0 4.34 595 550 A 139 ILE H A 139 ILE HB 1.0 0.0 3.76 596 551 A 139 ILE H A 138 GLU HA 1.0 0.0 3.45 597 552 A 139 ILE HG2% A 140 LYS H 1.0 0.0 4.27 598 553 A 140 LYS H A 140 LYS HG2 1.0 0.0 4.58 599 553 A 140 LYS H A 140 LYS HG3 1.0 0.0 4.58 600 554 A 139 ILE HB A 140 LYS H 1.0 0.0 5.06 601 555 A 140 LYS H A 139 ILE HA 1.0 0.0 3.26 602 556 A 140 LYS H A 141 SER H 1.0 0.0 4.91 603 557 A 141 SER H A 141 SER HB2 1.0 0.0 4.27 604 557 A 141 SER H A 141 SER HB3 1.0 0.0 4.27 605 558 A 19 ALA H A 18 GLY H 1.0 0.0 4.56 606 559 A 55 HIS H A 54 PHE HBx 1.0 0.0 5.60 607 560 A 63 LEU H A 61 MET HA 1.0 0.0 5.20 608 561 A 75 ARG H A 78 SER H 1.0 0.0 5.64 609 562 A 78 SER H A 79 ARG H 1.0 0.0 5.78 610 563 A 83 ALA H A 100 LEU HA 1.0 0.0 4.78 611 564 A 83 ALA H A 98 GLU HA 1.0 0.0 5.37 612 565 A 68 ILE HD1% A 86 SER H 1.0 0.0 5.70 613 566 A 71 ILE HD1% A 86 SER H 1.0 0.0 5.78 614 567 A 92 GLY H A 90 ASP HA 1.0 0.0 5.06 615 568 A 95 PHE H A 88 GLN HA 1.0 0.0 5.31 616 569 A 96 LEU H A 37 TRP HZ3 1.0 0.0 5.44 617 570 A 99 LEU H A 97 THR HG2% 1.0 0.0 5.73 618 571 A 50 TRP HE1 A 108 MET HE% 1.0 0.0 5.78 619 572 A 109 GLN H A 101 LEU HA 1.0 0.0 5.69 620 573 A 99 LEU HD2% A 111 SER H 1.0 0.0 5.02 621 574 A 139 ILE H A 138 GLU HBy 1.0 0.0 5.26 622 575 A 14 LEU HD1% A 13 GLU HA 1.0 0.0 5.10 623 576 A 14 LEU HBy A 15 PRO HDx 1.0 0.0 5.08 624 577 A 14 LEU H A 14 LEU HG 1.0 0.0 4.84 625 578 A 38 LEU HD1% A 35 LYS HA 1.0 0.0 4.41 626 579 A 34 GLU HA A 38 LEU HD1% 1.0 0.0 5.78 627 580 A 35 LYS H A 38 LEU HD1% 1.0 0.0 5.12 628 581 A 14 LEU HD2% A 15 PRO HDx 1.0 0.0 4.96 629 582 A 14 LEU HD2% A 14 LEU HA 1.0 0.0 4.00 630 583 A 14 LEU HA A 15 PRO HG2 1.0 0.0 5.42 631 583 A 14 LEU HA A 15 PRO HG3 1.0 0.0 5.42 632 584 A 14 LEU HD2% A 15 PRO HDy 1.0 0.0 4.96 633 585 A 15 PRO HDy A 14 LEU HBx 1.0 0.0 5.08 634 586 A 14 LEU HBy A 15 PRO HDy 1.0 0.0 5.08 635 587 A 14 LEU HA A 15 PRO HDy 1.0 0.0 3.66 636 588 A 14 LEU HBx A 15 PRO HDx 1.0 0.0 5.08 637 589 A 14 LEU HA A 15 PRO HDx 1.0 0.0 3.66 638 590 A 20 LEU H A 19 ALA HA 1.0 0.0 3.50 639 591 A 19 ALA HB% A 20 LEU H 1.0 0.0 4.19 640 592 A 40 LEU HD1% A 115 ASN HA 1.0 0.0 4.35 641 593 A 40 LEU HD2% A 115 ASN HA 1.0 0.0 3.81 642 594 A 20 LEU HD2% A 20 LEU HBx 1.0 0.0 4.34 643 595 A 20 LEU HD1% A 89 ASP HB3 1.0 0.0 4.61 644 596 A 20 LEU HD1% A 89 ASP HB2 1.0 0.0 4.96 645 597 A 20 LEU HD1% A 20 LEU HA 1.0 0.0 3.76 646 598 A 20 LEU HD1% A 21 MET H 1.0 0.0 4.67 647 599 A 20 LEU HD2% A 20 LEU HBy 1.0 0.0 4.34 648 600 A 85 LEU HD1% A 97 THR HB 1.0 0.0 4.41 649 601 A 20 LEU HD2% A 124 SER HBy 1.0 0.0 4.83 650 602 A 20 LEU HD2% A 20 LEU HA 1.0 0.0 5.05 651 603 A 85 LEU HD1% A 70 THR HA 1.0 0.0 5.78 652 604 A 85 LEU HD1% A 97 THR HG1 1.0 0.0 5.78 653 605 A 121 THR HB A 20 LEU HD2% 1.0 0.0 5.78 654 606 A 20 LEU HD2% A 95 PHE HE% 1.0 0.0 4.99 655 607 A 125 PHE H A 20 LEU HD2% 1.0 0.0 5.03 656 608 A 21 MET HE% A 21 MET HG2 1.0 0.0 4.67 657 608 A 21 MET HG3 A 21 MET HE% 1.0 0.0 4.67 658 609 A 22 LEU H A 21 MET HG2 1.0 0.0 5.10 659 609 A 22 LEU H A 21 MET HG3 1.0 0.0 5.10 660 610 A 22 LEU HD1% A 22 LEU HBx 1.0 0.0 4.03 661 611 A 28 LEU HB3 A 28 LEU HD1% 1.0 0.0 3.89 662 612 A 22 LEU HD1% A 22 LEU HBy 1.0 0.0 4.03 663 613 A 22 LEU HD1% A 22 LEU HA 1.0 0.0 5.21 664 614 A 22 LEU HD2% A 89 ASP HB3 1.0 0.0 4.62 665 615 A 22 LEU HD2% A 22 LEU HA 1.0 0.0 4.04 666 616 A 22 LEU HD2% A 89 ASP HA 1.0 0.0 4.64 667 617 A 22 LEU HD2% A 125 PHE HD% 1.0 0.0 4.44 668 618 A 22 LEU HD2% A 95 PHE HE% 1.0 0.0 5.01 669 619 A 22 LEU HD2% A 125 PHE HE% 1.0 0.0 5.05 670 620 A 22 LEU HD2% A 89 ASP H 1.0 0.0 5.07 671 621 A 22 LEU HD2% A 23 VAL H 1.0 0.0 5.31 672 622 A 23 VAL HA A 24 PRO HD2 1.0 0.0 3.74 673 622 A 24 PRO HD3 A 23 VAL HA 1.0 0.0 3.74 674 623 A 70 THR HG2% A 60 GLN HGy 1.0 0.0 4.90 675 624 A 23 VAL HG1% A 90 ASP HBx 1.0 0.0 4.67 676 625 A 23 VAL HG1% A 90 ASP HBy 1.0 0.0 4.67 677 626 A 23 VAL HG1% A 24 PRO HD2 1.0 0.0 4.19 678 626 A 24 PRO HD3 A 23 VAL HG1% 1.0 0.0 4.19 679 627 A 90 ASP HA A 23 VAL HG1% 1.0 0.0 4.26 680 628 A 23 VAL HA A 23 VAL HG1% 1.0 0.0 3.96 681 629 A 90 ASP H A 23 VAL HG1% 1.0 0.0 4.80 682 630 A 23 VAL HG2% A 24 PRO HD2 1.0 0.0 4.55 683 630 A 23 VAL HG2% A 24 PRO HD3 1.0 0.0 4.55 684 631 A 23 VAL HG2% A 90 ASP HA 1.0 0.0 4.26 685 632 A 23 VAL HG2% A 23 VAL HA 1.0 0.0 4.35 686 633 A 23 VAL HG2% A 22 LEU HA 1.0 0.0 4.97 687 634 A 89 ASP HA A 23 VAL HG2% 1.0 0.0 5.13 688 635 A 23 VAL HG2% A 90 ASP H 1.0 0.0 4.87 689 636 A 23 VAL H A 23 VAL HG2% 1.0 0.0 4.00 690 637 A 23 VAL HB A 24 PRO HD2 1.0 0.0 4.12 691 637 A 24 PRO HD3 A 23 VAL HB 1.0 0.0 4.12 692 638 A 26 ARG HA A 26 ARG HDy 1.0 0.0 4.42 693 639 A 26 ARG H A 26 ARG HGx 1.0 0.0 5.49 694 640 A 26 ARG HA A 26 ARG HDx 1.0 0.0 4.42 695 641 A 28 LEU H A 27 GLN HA 1.0 0.0 3.45 696 642 A 28 LEU H A 27 GLN HBx 1.0 0.0 5.02 697 643 A 27 GLN H A 27 GLN HBy 1.0 0.0 4.34 698 644 A 27 GLN HA A 27 GLN HG2 1.0 0.0 4.33 699 644 A 27 GLN HG3 A 27 GLN HA 1.0 0.0 4.33 700 645 A 29 THR H A 28 LEU HB2 1.0 0.0 4.98 701 646 A 22 LEU HD1% A 68 ILE HD1% 1.0 0.0 3.86 702 647 A 71 ILE HD1% A 28 LEU HD1% 1.0 0.0 4.37 703 648 A 28 LEU HD1% A 86 SER HBx 1.0 0.0 4.59 704 649 A 28 LEU HD1% A 86 SER HBy 1.0 0.0 4.59 705 650 A 28 LEU HA A 28 LEU HD1% 1.0 0.0 4.58 706 651 A 28 LEU HD1% A 32 TYR HE% 1.0 0.0 4.49 707 652 A 33 PHE HD% A 28 LEU HD1% 1.0 0.0 4.26 708 653 A 28 LEU H A 28 LEU HD1% 1.0 0.0 4.83 709 654 A 28 LEU HA A 28 LEU HD2% 1.0 0.0 3.94 710 655 A 29 THR H A 28 LEU HD2% 1.0 0.0 4.86 711 656 A 29 THR HA A 29 THR HG2% 1.0 0.0 3.61 712 657 A 29 THR H A 29 THR HG2% 1.0 0.0 3.81 713 658 A 31 ASP H A 29 THR HG2% 1.0 0.0 5.02 714 659 A 30 ALA H A 29 THR HG2% 1.0 0.0 4.42 715 660 A 71 ILE HD1% A 30 ALA HA 1.0 0.0 5.08 716 661 A 33 PHE HB3 A 30 ALA HA 1.0 0.0 4.60 717 662 A 30 ALA HA A 34 GLU H 1.0 0.0 5.24 718 663 A 30 ALA HB% A 29 THR HA 1.0 0.0 4.87 719 664 A 31 ASP HA A 34 GLU HBx 1.0 0.0 4.91 720 665 A 31 ASP HA A 34 GLU HBy 1.0 0.0 4.91 721 666 A 57 ASP HA A 60 GLN HBx 1.0 0.0 4.88 722 667 A 29 THR HG2% A 31 ASP HB2 1.0 0.0 5.22 723 667 A 31 ASP HB3 A 29 THR HG2% 1.0 0.0 5.22 724 668 A 30 ALA HB% A 31 ASP HB2 1.0 0.0 5.31 725 668 A 30 ALA HB% A 31 ASP HB3 1.0 0.0 5.31 726 669 A 32 TYR HA A 35 LYS HBy 1.0 0.0 4.95 727 670 A 35 LYS H A 32 TYR HA 1.0 0.0 5.08 728 671 A 36 THR H A 32 TYR HA 1.0 0.0 5.51 729 672 A 96 LEU HD2% A 33 PHE HA 1.0 0.0 4.57 730 673 A 28 LEU HD2% A 33 PHE HA 1.0 0.0 5.12 731 674 A 36 THR HG2% A 33 PHE HA 1.0 0.0 5.43 732 675 A 28 LEU HD1% A 33 PHE HA 1.0 0.0 4.89 733 676 A 33 PHE HB2 A 30 ALA HA 1.0 0.0 5.11 734 677 A 37 TRP HB3 A 34 GLU HA 1.0 0.0 4.73 735 678 A 33 PHE HD% A 34 GLU HA 1.0 0.0 4.48 736 679 A 34 GLU HA A 37 TRP HD1 1.0 0.0 4.92 737 680 A 34 GLU HA A 38 LEU H 1.0 0.0 5.32 738 681 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.70 739 682 A 38 LEU HD1% A 34 GLU HGy 1.0 0.0 4.68 740 683 A 35 LYS H A 34 GLU HGy 1.0 0.0 5.23 741 684 A 38 LEU H A 35 LYS HA 1.0 0.0 5.20 742 685 A 35 LYS HD3 A 35 LYS HBx 1.0 0.0 4.05 743 685 A 35 LYS HBx A 35 LYS HD2 1.0 0.0 4.05 744 686 A 32 TYR HA A 35 LYS HBx 1.0 0.0 4.95 745 687 A 35 LYS H A 35 LYS HBx 1.0 0.0 4.06 746 688 A 36 THR H A 35 LYS HBx 1.0 0.0 4.58 747 689 A 36 THR H A 35 LYS HBy 1.0 0.0 4.58 748 690 A 36 THR H A 35 LYS HGx 1.0 0.0 5.78 749 691 A 36 THR H A 35 LYS HGy 1.0 0.0 5.78 750 692 A 35 LYS HD3 A 35 LYS HBy 1.0 0.0 4.05 751 692 A 35 LYS HBy A 35 LYS HD2 1.0 0.0 4.05 752 693 A 35 LYS HA A 35 LYS HD2 1.0 0.0 4.68 753 693 A 35 LYS HD3 A 35 LYS HA 1.0 0.0 4.68 754 694 A 36 THR H A 35 LYS HD2 1.0 0.0 5.78 755 694 A 35 LYS HD3 A 36 THR H 1.0 0.0 5.78 756 695 A 32 TYR HA A 35 LYS HE2 1.0 0.0 5.15 757 695 A 32 TYR HA A 35 LYS HE3 1.0 0.0 5.15 758 696 A 36 THR HG2% A 40 LEU HD1% 1.0 0.0 3.68 759 697 A 36 THR HG2% A 36 THR HA 1.0 0.0 3.77 760 698 A 37 TRP HB2 A 34 GLU HA 1.0 0.0 5.06 761 699 A 33 PHE HD% A 37 TRP HB2 1.0 0.0 5.13 762 700 A 37 TRP HB2 A 38 LEU H 1.0 0.0 4.91 763 701 A 38 LEU HB3 A 35 LYS HA 1.0 0.0 5.27 764 702 A 38 LEU HD1% A 38 LEU HB3 1.0 0.0 3.81 765 703 A 38 LEU HD1% A 38 LEU HB2 1.0 0.0 4.02 766 704 A 48 LEU HB2 A 48 LEU HD1% 1.0 0.0 4.27 767 705 A 38 LEU HD1% A 38 LEU HA 1.0 0.0 5.12 768 706 A 38 LEU HD2% A 38 LEU HB3 1.0 0.0 3.75 769 707 A 38 LEU HD2% A 38 LEU HB2 1.0 0.0 4.18 770 708 A 38 LEU HD2% A 38 LEU HA 1.0 0.0 3.36 771 709 A 38 LEU H A 38 LEU HD2% 1.0 0.0 4.66 772 710 A 40 LEU HD1% A 40 LEU HB2 1.0 0.0 3.96 773 710 A 40 LEU HD1% A 40 LEU HB3 1.0 0.0 3.96 774 711 A 40 LEU HD1% A 115 ASN HBx 1.0 0.0 5.09 775 712 A 40 LEU HD1% A 115 ASN HBy 1.0 0.0 5.09 776 713 A 40 LEU HD1% A 40 LEU HA 1.0 0.0 4.77 777 714 A 40 LEU HD2% A 40 LEU HA 1.0 0.0 3.64 778 715 A 41 LYS HA A 41 LYS HG2 1.0 0.0 4.05 779 715 A 41 LYS HG3 A 41 LYS HA 1.0 0.0 4.05 780 716 A 41 LYS HA A 41 LYS HD2 1.0 0.0 4.81 781 716 A 41 LYS HA A 41 LYS HD3 1.0 0.0 4.81 782 717 A 40 LEU HA A 41 LYS HG2 1.0 0.0 5.30 783 717 A 41 LYS HG3 A 40 LEU HA 1.0 0.0 5.30 784 718 A 42 VAL H A 41 LYS HD2 1.0 0.0 5.24 785 718 A 42 VAL H A 41 LYS HD3 1.0 0.0 5.24 786 719 A 41 LYS HE3 A 41 LYS HG2 1.0 0.0 4.07 787 719 A 41 LYS HE2 A 41 LYS HG2 1.0 0.0 4.07 788 719 A 41 LYS HG3 A 41 LYS HE2 1.0 0.0 4.07 789 719 A 41 LYS HG3 A 41 LYS HE3 1.0 0.0 4.07 790 720 A 140 LYS HE2 A 140 LYS HG2 1.0 0.0 4.38 791 720 A 140 LYS HE3 A 140 LYS HG2 1.0 0.0 4.38 792 720 A 140 LYS HG3 A 140 LYS HE2 1.0 0.0 4.38 793 720 A 140 LYS HG3 A 140 LYS HE3 1.0 0.0 4.38 794 721 A 42 VAL HG1% A 42 VAL HA 1.0 0.0 4.13 795 722 A 42 VAL HA A 113 LYS HBx 1.0 0.0 5.78 796 723 A 42 VAL HA A 113 LYS HBy 1.0 0.0 5.78 797 724 A 113 LYS HA A 42 VAL HA 1.0 0.0 5.24 798 725 A 42 VAL HG1% A 45 GLN HBy 1.0 0.0 4.62 799 726 A 42 VAL HG1% A 45 GLN HGy 1.0 0.0 4.92 800 727 A 42 VAL HG1% A 43 ALA HA 1.0 0.0 5.33 801 728 A 42 VAL HG1% A 111 SER HA 1.0 0.0 4.75 802 729 A 42 VAL HG1% A 45 GLN HA 1.0 0.0 5.22 803 730 A 42 VAL HG1% A 44 HIS H 1.0 0.0 3.96 804 731 A 42 VAL HG2% A 113 LYS HEy 1.0 0.0 4.74 805 732 A 42 VAL HG2% A 42 VAL HA 1.0 0.0 4.04 806 733 A 42 VAL HG2% A 41 LYS HA 1.0 0.0 5.15 807 734 A 42 VAL HG2% A 43 ALA H 1.0 0.0 4.90 808 735 A 42 VAL HA A 43 ALA HB% 1.0 0.0 4.99 809 736 A 113 LYS HA A 43 ALA HB% 1.0 0.0 4.53 810 737 A 44 HIS H A 43 ALA HB% 1.0 0.0 4.25 811 738 A 43 ALA H A 43 ALA HB% 1.0 0.0 3.77 812 739 A 122 LEU HD1% A 44 HIS HBy 1.0 0.0 4.82 813 740 A 122 LEU HD1% A 44 HIS HBx 1.0 0.0 4.82 814 741 A 42 VAL HG1% A 45 GLN HBx 1.0 0.0 4.62 815 742 A 47 VAL HG1% A 107 GLU HB2 1.0 0.0 4.81 816 742 A 107 GLU HB3 A 47 VAL HG1% 1.0 0.0 4.81 817 743 A 42 VAL HG1% A 45 GLN HGx 1.0 0.0 4.92 818 744 A 47 VAL H A 46 GLN HGx 1.0 0.0 5.21 819 745 A 47 VAL H A 46 GLN HGy 1.0 0.0 5.21 820 746 A 47 VAL HA A 109 GLN HA 1.0 0.0 4.28 821 747 A 47 VAL HB A 48 LEU H 1.0 0.0 4.44 822 748 A 47 VAL HG1% A 107 GLU HGx 1.0 0.0 4.25 823 749 A 47 VAL HG1% A 107 GLU HGy 1.0 0.0 4.25 824 750 A 47 VAL HG1% A 109 GLN HGx 1.0 0.0 4.51 825 751 A 47 VAL HG1% A 109 GLN HGy 1.0 0.0 4.51 826 752 A 109 GLN HA A 47 VAL HG1% 1.0 0.0 4.21 827 753 A 47 VAL HA A 47 VAL HG1% 1.0 0.0 3.72 828 754 A 47 VAL H A 47 VAL HG1% 1.0 0.0 4.43 829 755 A 48 LEU H A 47 VAL HG1% 1.0 0.0 4.04 830 756 A 108 MET H A 47 VAL HG1% 1.0 0.0 5.06 831 757 A 47 VAL HG2% A 109 GLN HGx 1.0 0.0 4.71 832 758 A 47 VAL HG2% A 109 GLN HGy 1.0 0.0 4.71 833 759 A 47 VAL HG2% A 46 GLN HA 1.0 0.0 4.81 834 760 A 47 VAL HG2% A 109 GLN HA 1.0 0.0 4.43 835 761 A 47 VAL HG2% A 47 VAL HA 1.0 0.0 4.03 836 762 A 47 VAL HG2% A 48 LEU H 1.0 0.0 4.63 837 763 A 48 LEU HB3 A 110 ILE HD1% 1.0 0.0 4.85 838 764 A 48 LEU HD1% A 48 LEU HB3 1.0 0.0 4.25 839 765 A 48 LEU HB3 A 49 PRO HD2 1.0 0.0 5.13 840 766 A 48 LEU HB3 A 49 PRO HD3 1.0 0.0 5.29 841 767 A 48 LEU HB2 A 49 PRO HD2 1.0 0.0 4.69 842 768 A 110 ILE HD1% A 48 LEU HG 1.0 0.0 4.76 843 769 A 49 PRO HD2 A 48 LEU HG 1.0 0.0 5.35 844 770 A 48 LEU H A 48 LEU HG 1.0 0.0 5.12 845 771 A 48 LEU HD1% A 49 PRO HD2 1.0 0.0 4.50 846 772 A 48 LEU HD1% A 48 LEU HA 1.0 0.0 4.81 847 773 A 48 LEU H A 48 LEU HD1% 1.0 0.0 5.13 848 774 A 48 LEU HB3 A 48 LEU HD2% 1.0 0.0 4.30 849 775 A 48 LEU HB2 A 48 LEU HD2% 1.0 0.0 3.94 850 776 A 49 PRO HD2 A 48 LEU HD2% 1.0 0.0 4.18 851 777 A 49 PRO HD3 A 48 LEU HD2% 1.0 0.0 4.62 852 778 A 48 LEU HA A 48 LEU HD2% 1.0 0.0 3.73 853 779 A 48 LEU H A 48 LEU HD2% 1.0 0.0 5.06 854 780 A 50 TRP H A 49 PRO HBy 1.0 0.0 4.68 855 781 A 49 PRO HD2 A 48 LEU HA 1.0 0.0 3.92 856 782 A 48 LEU HB2 A 49 PRO HD3 1.0 0.0 5.17 857 783 A 49 PRO HD3 A 48 LEU HA 1.0 0.0 3.78 858 784 A 51 ARG H A 50 TRP HA 1.0 0.0 3.74 859 785 A 51 ARG H A 51 ARG HGx 1.0 0.0 5.19 860 786 A 51 ARG H A 51 ARG HGy 1.0 0.0 5.19 861 787 A 55 HIS H A 54 PHE HBy 1.0 0.0 5.60 862 788 A 55 HIS HA A 56 PRO HDx 1.0 0.0 4.06 863 789 A 55 HIS HA A 56 PRO HDy 1.0 0.0 4.06 864 790 A 81 TRP HE1 A 56 PRO HGy 1.0 0.0 5.26 865 791 A 58 THR H A 57 ASP HBy 1.0 0.0 4.99 866 792 A 58 THR HA A 61 MET HB2 1.0 0.0 4.42 867 792 A 61 MET HB3 A 58 THR HA 1.0 0.0 4.42 868 793 A 61 MET H A 58 THR HA 1.0 0.0 4.81 869 794 A 98 GLU H A 111 SER HBx 1.0 0.0 5.78 870 795 A 58 THR HB A 55 HIS HBx 1.0 0.0 5.10 871 796 A 58 THR HB A 55 HIS HBy 1.0 0.0 5.10 872 797 A 58 THR HA A 58 THR HG2% 1.0 0.0 3.71 873 798 A 119 THR HG2% A 119 THR HA 1.0 0.0 3.91 874 799 A 58 THR H A 58 THR HG2% 1.0 0.0 4.44 875 800 A 119 THR HG2% A 123 ASN HD21 1.0 0.0 4.68 876 801 A 62 ALA H A 58 THR HG2% 1.0 0.0 5.21 877 802 A 62 ALA H A 59 LEU HA 1.0 0.0 4.90 878 803 A 110 ILE HG13 A 108 MET HG2 1.0 0.0 4.68 879 803 A 108 MET HG3 A 110 ILE HG13 1.0 0.0 4.68 880 804 A 59 LEU HD1% A 59 LEU HBx 1.0 0.0 4.14 881 805 A 22 LEU HD2% A 89 ASP HB2 1.0 0.0 4.41 882 806 A 59 LEU HD1% A 59 LEU HA 1.0 0.0 3.65 883 807 A 59 LEU H A 59 LEU HD1% 1.0 0.0 5.09 884 808 A 59 LEU HD1% A 59 LEU HBy 1.0 0.0 4.14 885 809 A 59 LEU HD2% A 59 LEU HBx 1.0 0.0 4.42 886 810 A 59 LEU HD2% A 59 LEU HBy 1.0 0.0 4.42 887 811 A 56 PRO HA A 59 LEU HD2% 1.0 0.0 5.42 888 812 A 59 LEU HA A 59 LEU HD2% 1.0 0.0 5.02 889 813 A 59 LEU H A 59 LEU HD2% 1.0 0.0 5.23 890 814 A 63 LEU HD1% A 60 GLN HA 1.0 0.0 4.51 891 815 A 61 MET H A 60 GLN HBx 1.0 0.0 4.71 892 816 A 57 ASP HA A 60 GLN HBy 1.0 0.0 4.88 893 817 A 70 THR HG2% A 60 GLN HGx 1.0 0.0 4.90 894 818 A 70 THR HB A 60 GLN HGx 1.0 0.0 4.83 895 819 A 70 THR HG1 A 60 GLN HGx 1.0 0.0 5.01 896 820 A 70 THR HB A 60 GLN HGy 1.0 0.0 4.83 897 821 A 70 THR HG1 A 60 GLN HGy 1.0 0.0 5.01 898 822 A 61 MET H A 61 MET HGy 1.0 0.0 4.43 899 823 A 61 MET H A 61 MET HGx 1.0 0.0 4.43 900 824 A 23 VAL HG2% A 21 MET HE% 1.0 0.0 5.11 901 825 A 21 MET HE% A 23 VAL HG1% 1.0 0.0 5.02 902 826 A 58 THR HA A 61 MET HE% 1.0 0.0 5.13 903 827 A 132 VAL HG1% A 62 ALA HA 1.0 0.0 5.05 904 828 A 65 VAL HB A 62 ALA HA 1.0 0.0 4.64 905 829 A 65 VAL H A 62 ALA HA 1.0 0.0 5.07 906 830 A 62 ALA HB% A 132 VAL HG1% 1.0 0.0 3.32 907 831 A 59 LEU HD1% A 62 ALA HB% 1.0 0.0 4.04 908 832 A 62 ALA HB% A 62 ALA H 1.0 0.0 3.52 909 833 A 68 ILE HB A 63 LEU HBy 1.0 0.0 4.95 910 834 A 59 LEU HD1% A 63 LEU HG 1.0 0.0 4.25 911 835 A 63 LEU HD1% A 63 LEU HA 1.0 0.0 5.20 912 836 A 63 LEU HD2% A 63 LEU HBx 1.0 0.0 4.36 913 837 A 63 LEU HD2% A 63 LEU HBy 1.0 0.0 4.36 914 838 A 63 LEU HD2% A 132 VAL HB 1.0 0.0 4.94 915 839 A 63 LEU HD2% A 129 LEU HA 1.0 0.0 5.16 916 840 A 63 LEU HD2% A 63 LEU HA 1.0 0.0 3.71 917 841 A 63 LEU H A 63 LEU HD2% 1.0 0.0 4.59 918 842 A 65 VAL H A 64 GLN HBx 1.0 0.0 5.05 919 843 A 65 VAL H A 64 GLN HBy 1.0 0.0 5.05 920 844 A 64 GLN H A 64 GLN HGx 1.0 0.0 5.38 921 845 A 64 GLN H A 64 GLN HGy 1.0 0.0 5.38 922 846 A 65 VAL HB A 66 VAL HG1% 1.0 0.0 4.99 923 847 A 65 VAL HG1% A 65 VAL HA 1.0 0.0 3.65 924 848 A 65 VAL HG1% A 62 ALA HA 1.0 0.0 5.05 925 849 A 65 VAL H A 65 VAL HG1% 1.0 0.0 4.25 926 850 A 65 VAL HA A 65 VAL HG2% 1.0 0.0 3.38 927 851 A 62 ALA HA A 65 VAL HG2% 1.0 0.0 3.74 928 852 A 66 VAL H A 65 VAL HG2% 1.0 0.0 4.36 929 853 A 65 VAL H A 65 VAL HG2% 1.0 0.0 3.41 930 854 A 44 HIS H A 112 VAL HG1% 1.0 0.0 5.12 931 855 A 64 GLN H A 65 VAL HG2% 1.0 0.0 5.64 932 856 A 66 VAL HG1% A 66 VAL HA 1.0 0.0 3.49 933 857 A 66 VAL H A 66 VAL HG1% 1.0 0.0 4.08 934 858 A 66 VAL HG2% A 63 LEU HA 1.0 0.0 3.94 935 859 A 66 VAL HG2% A 66 VAL HA 1.0 0.0 4.35 936 860 A 63 LEU HD2% A 68 ILE HB 1.0 0.0 4.77 937 861 A 68 ILE HG2% A 68 ILE HA 1.0 0.0 4.22 938 862 A 68 ILE HG2% A 125 PHE HZ 1.0 0.0 5.59 939 863 A 68 ILE HG2% A 68 ILE HD1% 1.0 0.0 3.40 940 864 A 68 ILE HD1% A 87 ALA HB% 1.0 0.0 3.93 941 865 A 63 LEU HA A 68 ILE HD1% 1.0 0.0 5.19 942 866 A 68 ILE HD1% A 125 PHE HE% 1.0 0.0 4.34 943 867 A 68 ILE H A 68 ILE HD1% 1.0 0.0 5.01 944 868 A 69 GLN H A 69 GLN HGy 1.0 0.0 4.96 945 869 A 70 THR HG2% A 73 MET HBy 1.0 0.0 4.53 946 870 A 70 THR HG2% A 70 THR HA 1.0 0.0 3.80 947 871 A 70 THR HG2% A 84 TYR H 1.0 0.0 5.04 948 872 A 23 VAL H A 23 VAL HG1% 1.0 0.0 4.28 949 873 A 70 THR HG2% A 71 ILE H 1.0 0.0 4.37 950 874 A 71 ILE HB A 84 TYR HB2 1.0 0.0 4.79 951 874 A 71 ILE HB A 84 TYR HB3 1.0 0.0 4.79 952 875 A 71 ILE HB A 72 ALA HA 1.0 0.0 5.17 953 876 A 71 ILE HG2% A 71 ILE HG1x 1.0 0.0 4.38 954 877 A 71 ILE HG2% A 71 ILE HG1y 1.0 0.0 4.38 955 878 A 71 ILE HG2% A 30 ALA HB% 1.0 0.0 3.87 956 879 A 71 ILE HG2% A 84 TYR HB2 1.0 0.0 4.56 957 879 A 71 ILE HG2% A 84 TYR HB3 1.0 0.0 4.56 958 880 A 71 ILE HG2% A 33 PHE HB2 1.0 0.0 4.92 959 881 A 71 ILE HG2% A 33 PHE HB3 1.0 0.0 5.06 960 882 A 71 ILE HG2% A 71 ILE HA 1.0 0.0 3.99 961 883 A 71 ILE HG2% A 30 ALA HA 1.0 0.0 4.00 962 884 A 71 ILE HG2% A 33 PHE HD% 1.0 0.0 5.08 963 885 A 71 ILE HD1% A 71 ILE HB 1.0 0.0 4.34 964 886 A 71 ILE HD1% A 30 ALA HB% 1.0 0.0 5.17 965 887 A 71 ILE HD1% A 28 LEU HB2 1.0 0.0 4.50 966 888 A 71 ILE HD1% A 28 LEU HB3 1.0 0.0 4.87 967 889 A 71 ILE HD1% A 28 LEU HG 1.0 0.0 5.28 968 890 A 71 ILE HD1% A 84 TYR HB2 1.0 0.0 5.23 969 890 A 71 ILE HD1% A 84 TYR HB3 1.0 0.0 5.23 970 891 A 71 ILE HD1% A 33 PHE HB2 1.0 0.0 4.91 971 892 A 71 ILE HD1% A 33 PHE HB3 1.0 0.0 5.06 972 893 A 71 ILE HD1% A 71 ILE HA 1.0 0.0 3.72 973 894 A 71 ILE HD1% A 86 SER HBy 1.0 0.0 4.67 974 895 A 71 ILE HD1% A 33 PHE HD% 1.0 0.0 4.48 975 896 A 71 ILE HD1% A 33 PHE HE% 1.0 0.0 5.29 976 897 A 71 ILE HD1% A 69 GLN HE22 1.0 0.0 4.90 977 898 A 71 ILE HD1% A 69 GLN HE21 1.0 0.0 5.15 978 899 A 71 ILE HD1% A 71 ILE H 1.0 0.0 4.88 979 900 A 71 ILE HG2% A 72 ALA HB% 1.0 0.0 3.93 980 901 A 72 ALA HB% A 84 TYR HB2 1.0 0.0 4.11 981 901 A 84 TYR HB3 A 72 ALA HB% 1.0 0.0 4.11 982 902 A 72 ALA H A 72 ALA HB% 1.0 0.0 4.06 983 903 A 73 MET H A 72 ALA HB% 1.0 0.0 3.89 984 904 A 70 THR HG2% A 73 MET HBx 1.0 0.0 4.53 985 905 A 83 ALA HA A 73 MET HBx 1.0 0.0 5.51 986 906 A 83 ALA HA A 73 MET HBy 1.0 0.0 5.51 987 907 A 83 ALA HB% A 73 MET HGy 1.0 0.0 4.29 988 908 A 83 ALA HB% A 73 MET HGx 1.0 0.0 4.29 989 909 A 70 THR HG2% A 73 MET HE% 1.0 0.0 3.35 990 910 A 83 ALA HB% A 73 MET HE% 1.0 0.0 3.81 991 911 A 59 LEU HD2% A 73 MET HE% 1.0 0.0 3.89 992 912 A 85 LEU HD2% A 73 MET HE% 1.0 0.0 3.98 993 913 A 63 LEU HD1% A 73 MET HE% 1.0 0.0 4.13 994 914 A 60 GLN HA A 73 MET HE% 1.0 0.0 4.42 995 915 A 70 THR HA A 73 MET HE% 1.0 0.0 4.92 996 916 A 70 THR HG1 A 73 MET HE% 1.0 0.0 4.89 997 917 A 73 MET HE% A 81 TRP HH2 1.0 0.0 4.18 998 918 A 73 MET HE% A 81 TRP HZ2 1.0 0.0 4.30 999 919 A 60 GLN H A 73 MET HE% 1.0 0.0 4.68 1000 920 A 75 ARG H A 74 SER HBy 1.0 0.0 4.90 1001 921 A 75 ARG HA A 75 ARG HG2 1.0 0.0 4.01 1002 921 A 75 ARG HG3 A 75 ARG HA 1.0 0.0 4.01 1003 922 A 76 ALA H A 75 ARG HBx 1.0 0.0 5.13 1004 923 A 75 ARG H A 75 ARG HG2 1.0 0.0 4.30 1005 923 A 75 ARG H A 75 ARG HG3 1.0 0.0 4.30 1006 924 A 76 ALA H A 76 ALA HB% 1.0 0.0 3.74 1007 925 A 75 ARG H A 78 SER HBy 1.0 0.0 5.22 1008 926 A 75 ARG H A 78 SER HBx 1.0 0.0 5.22 1009 927 A 26 ARG H A 26 ARG HGy 1.0 0.0 5.49 1010 928 A 79 ARG HA A 79 ARG HDx 1.0 0.0 4.96 1011 929 A 79 ARG HA A 79 ARG HDy 1.0 0.0 4.96 1012 930 A 80 PRO HA A 79 ARG HGx 1.0 0.0 5.11 1013 931 A 80 PRO HA A 79 ARG HGy 1.0 0.0 5.11 1014 932 A 100 LEU HD2% A 80 PRO HGx 1.0 0.0 4.62 1015 932 A 80 PRO HGx A 100 LEU HD1% 1.0 0.0 4.62 1016 933 A 82 LYS HA A 82 LYS HG2 1.0 0.0 4.21 1017 933 A 82 LYS HG3 A 82 LYS HA 1.0 0.0 4.21 1018 934 A 82 LYS HB3 A 100 LEU HD1% 1.0 0.0 4.92 1019 934 A 82 LYS HB2 A 100 LEU HD1% 1.0 0.0 4.92 1020 934 A 100 LEU HD2% A 82 LYS HB2 1.0 0.0 4.92 1021 934 A 82 LYS HB3 A 100 LEU HD2% 1.0 0.0 4.92 1022 935 A 82 LYS HD3 A 100 LEU HD1% 1.0 0.0 4.38 1023 935 A 82 LYS HD2 A 100 LEU HD1% 1.0 0.0 4.38 1024 935 A 100 LEU HD2% A 82 LYS HD2 1.0 0.0 4.38 1025 935 A 82 LYS HD3 A 100 LEU HD2% 1.0 0.0 4.38 1026 936 A 82 LYS HB3 A 82 LYS HD2 1.0 0.0 3.90 1027 936 A 82 LYS HB2 A 82 LYS HD2 1.0 0.0 3.90 1028 936 A 82 LYS HD3 A 82 LYS HB2 1.0 0.0 3.90 1029 936 A 82 LYS HB3 A 82 LYS HD3 1.0 0.0 3.90 1030 937 A 82 LYS HE2 A 82 LYS HG2 1.0 0.0 4.22 1031 937 A 82 LYS HE3 A 82 LYS HG2 1.0 0.0 4.22 1032 937 A 82 LYS HG3 A 82 LYS HE2 1.0 0.0 4.22 1033 937 A 82 LYS HG3 A 82 LYS HE3 1.0 0.0 4.22 1034 938 A 82 LYS HB3 A 82 LYS HE2 1.0 0.0 4.86 1035 938 A 82 LYS HB2 A 82 LYS HE2 1.0 0.0 4.86 1036 938 A 82 LYS HE3 A 82 LYS HB2 1.0 0.0 4.86 1037 938 A 82 LYS HB3 A 82 LYS HE3 1.0 0.0 4.86 1038 939 A 83 ALA HB% A 99 LEU HG 1.0 0.0 4.50 1039 940 A 83 ALA HB% A 99 LEU HB2 1.0 0.0 4.00 1040 940 A 83 ALA HB% A 99 LEU HB3 1.0 0.0 4.00 1041 941 A 83 ALA HB% A 73 MET HA 1.0 0.0 4.65 1042 942 A 83 ALA HB% A 82 LYS HA 1.0 0.0 5.31 1043 943 A 83 ALA HB% A 84 TYR HA 1.0 0.0 5.37 1044 944 A 83 ALA HB% A 81 TRP HZ3 1.0 0.0 4.95 1045 945 A 83 ALA HB% A 83 ALA H 1.0 0.0 4.36 1046 946 A 98 GLU HA A 84 TYR HA 1.0 0.0 4.88 1047 947 A 70 THR HA A 85 LEU HA 1.0 0.0 4.55 1048 948 A 71 ILE H A 85 LEU HA 1.0 0.0 4.81 1049 949 A 85 LEU HG A 97 THR HB 1.0 0.0 4.92 1050 950 A 85 LEU HD2% A 70 THR HA 1.0 0.0 3.82 1051 951 A 85 LEU HD2% A 70 THR HG1 1.0 0.0 4.96 1052 952 A 85 LEU HD2% A 85 LEU HA 1.0 0.0 3.97 1053 953 A 85 LEU HD2% A 71 ILE H 1.0 0.0 4.69 1054 954 A 68 ILE HG2% A 86 SER HA 1.0 0.0 5.76 1055 955 A 71 ILE HD1% A 86 SER HBx 1.0 0.0 4.67 1056 956 A 87 ALA H A 86 SER HBx 1.0 0.0 4.82 1057 957 A 68 ILE HG2% A 87 ALA HB% 1.0 0.0 3.75 1058 958 A 22 LEU HD1% A 87 ALA HB% 1.0 0.0 3.78 1059 959 A 87 ALA HB% A 68 ILE HA 1.0 0.0 4.15 1060 960 A 87 ALA HB% A 95 PHE HD% 1.0 0.0 4.45 1061 961 A 87 ALA HB% A 125 PHE HE% 1.0 0.0 4.12 1062 962 A 87 ALA HB% A 88 GLN H 1.0 0.0 4.27 1063 963 A 94 LEU HA A 88 GLN HA 1.0 0.0 4.65 1064 964 A 23 VAL HG2% A 89 ASP HB3 1.0 0.0 5.78 1065 965 A 90 ASP H A 89 ASP HB3 1.0 0.0 4.57 1066 966 A 91 THR HG2% A 91 THR HA 1.0 0.0 3.62 1067 967 A 91 THR HG2% A 91 THR H 1.0 0.0 3.91 1068 968 A 93 CYS HA A 94 LEU HB2 1.0 0.0 5.30 1069 968 A 94 LEU HB3 A 93 CYS HA 1.0 0.0 5.30 1070 969 A 115 ASN HD22 A 94 LEU HB2 1.0 0.0 4.98 1071 969 A 94 LEU HB3 A 115 ASN HD22 1.0 0.0 4.98 1072 970 A 94 LEU HD1% A 94 LEU HB2 1.0 0.0 3.52 1073 970 A 94 LEU HD1% A 94 LEU HB3 1.0 0.0 3.52 1074 971 A 94 LEU HD1% A 96 LEU HG 1.0 0.0 4.56 1075 972 A 94 LEU HD1% A 94 LEU HA 1.0 0.0 4.33 1076 973 A 94 LEU HD1% A 88 GLN HA 1.0 0.0 5.12 1077 974 A 94 LEU HD1% A 32 TYR HE% 1.0 0.0 4.86 1078 975 A 94 LEU HD1% A 94 LEU H 1.0 0.0 5.65 1079 976 A 94 LEU HD1% A 115 ASN H 1.0 0.0 5.78 1080 977 A 94 LEU HD1% A 95 PHE H 1.0 0.0 4.40 1081 978 A 94 LEU HD2% A 94 LEU HB2 1.0 0.0 3.53 1082 978 A 94 LEU HD2% A 94 LEU HB3 1.0 0.0 3.53 1083 979 A 94 LEU HD2% A 94 LEU HA 1.0 0.0 4.34 1084 980 A 94 LEU HD2% A 88 GLN HA 1.0 0.0 4.96 1085 981 A 94 LEU HD2% A 32 TYR HE% 1.0 0.0 4.84 1086 982 A 94 LEU HD2% A 88 GLN HE22 1.0 0.0 5.33 1087 983 A 94 LEU HD2% A 94 LEU H 1.0 0.0 5.18 1088 984 A 37 TRP HZ3 A 96 LEU HA 1.0 0.0 5.11 1089 985 A 95 PHE HA A 96 LEU HG 1.0 0.0 5.18 1090 986 A 33 PHE HD% A 96 LEU HG 1.0 0.0 5.33 1091 987 A 33 PHE HE% A 96 LEU HG 1.0 0.0 5.10 1092 988 A 96 LEU HG A 97 THR H 1.0 0.0 5.46 1093 989 A 36 THR HG2% A 96 LEU HD1% 1.0 0.0 3.32 1094 990 A 96 LEU HD1% A 94 LEU HD1% 1.0 0.0 4.21 1095 991 A 96 LEU HD1% A 94 LEU HB2 1.0 0.0 4.44 1096 991 A 96 LEU HD1% A 94 LEU HB3 1.0 0.0 4.44 1097 992 A 96 LEU HD1% A 96 LEU HBx 1.0 0.0 4.24 1098 993 A 96 LEU HD1% A 96 LEU HBy 1.0 0.0 4.24 1099 994 A 96 LEU HD1% A 37 TRP HA 1.0 0.0 4.43 1100 995 A 36 THR HB A 96 LEU HD1% 1.0 0.0 4.42 1101 996 A 96 LEU HD1% A 96 LEU HA 1.0 0.0 4.76 1102 997 A 96 LEU HD1% A 33 PHE HE% 1.0 0.0 5.05 1103 998 A 96 LEU HD1% A 37 TRP HE3 1.0 0.0 4.44 1104 999 A 96 LEU HD1% A 37 TRP HZ3 1.0 0.0 5.31 1105 1000 A 96 LEU HD1% A 96 LEU H 1.0 0.0 4.58 1106 1001 A 96 LEU HD2% A 94 LEU HB2 1.0 0.0 4.57 1107 1001 A 96 LEU HD2% A 94 LEU HB3 1.0 0.0 4.57 1108 1002 A 96 LEU HD2% A 28 LEU HB2 1.0 0.0 5.22 1109 1003 A 36 THR HB A 96 LEU HD2% 1.0 0.0 5.03 1110 1004 A 37 TRP HA A 96 LEU HD2% 1.0 0.0 5.47 1111 1005 A 96 LEU HD2% A 86 SER HBx 1.0 0.0 4.87 1112 1006 A 96 LEU HD2% A 86 SER HBy 1.0 0.0 4.87 1113 1007 A 96 LEU HD2% A 96 LEU HA 1.0 0.0 4.26 1114 1008 A 96 LEU HD2% A 86 SER HA 1.0 0.0 4.78 1115 1009 A 33 PHE HD% A 96 LEU HD2% 1.0 0.0 4.30 1116 1010 A 33 PHE HE% A 96 LEU HD2% 1.0 0.0 4.38 1117 1011 A 96 LEU HD2% A 37 TRP HZ3 1.0 0.0 5.13 1118 1012 A 96 LEU HD2% A 37 TRP HE3 1.0 0.0 4.78 1119 1013 A 37 TRP H A 96 LEU HD2% 1.0 0.0 5.07 1120 1014 A 96 LEU HD2% A 96 LEU H 1.0 0.0 5.74 1121 1015 A 96 LEU HD2% A 97 THR H 1.0 0.0 5.19 1122 1016 A 97 THR HG2% A 97 THR HA 1.0 0.0 4.00 1123 1017 A 112 VAL HA A 97 THR HA 1.0 0.0 4.24 1124 1018 A 68 ILE HG2% A 97 THR HB 1.0 0.0 5.76 1125 1019 A 99 LEU HD2% A 97 THR HB 1.0 0.0 5.78 1126 1020 A 97 THR HB A 85 LEU HBy 1.0 0.0 4.90 1127 1021 A 97 THR HG2% A 129 LEU HD1% 1.0 0.0 3.77 1128 1022 A 85 LEU HD1% A 97 THR HG2% 1.0 0.0 3.80 1129 1023 A 97 THR HG2% A 99 LEU HD2% 1.0 0.0 3.63 1130 1024 A 97 THR HG2% A 112 VAL HA 1.0 0.0 4.88 1131 1025 A 95 PHE HA A 114 GLN HA 1.0 0.0 4.71 1132 1026 A 97 THR HG2% A 99 LEU HG 1.0 0.0 4.63 1133 1027 A 99 LEU HD1% A 99 LEU HB2 1.0 0.0 3.87 1134 1027 A 99 LEU HB3 A 99 LEU HD1% 1.0 0.0 3.87 1135 1028 A 99 LEU HD1% A 81 TRP HH2 1.0 0.0 4.59 1136 1029 A 99 LEU HD2% A 99 LEU HB2 1.0 0.0 3.79 1137 1029 A 99 LEU HB3 A 99 LEU HD2% 1.0 0.0 3.79 1138 1030 A 99 LEU HD2% A 110 ILE HA 1.0 0.0 4.43 1139 1031 A 99 LEU HD2% A 99 LEU HA 1.0 0.0 3.84 1140 1032 A 99 LEU HD2% A 100 LEU H 1.0 0.0 4.58 1141 1033 A 109 GLN HBx A 100 LEU HBx 1.0 0.0 5.15 1142 1034 A 100 LEU HBx A 109 GLN HBy 1.0 0.0 5.15 1143 1035 A 109 GLN HBx A 100 LEU HBy 1.0 0.0 5.15 1144 1036 A 100 LEU HBy A 109 GLN HBy 1.0 0.0 5.15 1145 1037 A 101 LEU H A 100 LEU HG 1.0 0.0 5.37 1146 1038 A 100 LEU HD2% A 100 LEU HBx 1.0 0.0 3.57 1147 1038 A 100 LEU HBx A 100 LEU HD1% 1.0 0.0 3.57 1148 1039 A 100 LEU HD2% A 100 LEU HBy 1.0 0.0 3.57 1149 1039 A 100 LEU HBy A 100 LEU HD1% 1.0 0.0 3.57 1150 1040 A 100 LEU HD2% A 80 PRO HBx 1.0 0.0 4.12 1151 1040 A 80 PRO HBx A 100 LEU HD1% 1.0 0.0 4.12 1152 1041 A 100 LEU HD2% A 80 PRO HGy 1.0 0.0 4.62 1153 1041 A 80 PRO HGy A 100 LEU HD1% 1.0 0.0 4.62 1154 1042 A 100 LEU HD2% A 80 PRO HBy 1.0 0.0 4.12 1155 1042 A 80 PRO HBy A 100 LEU HD1% 1.0 0.0 4.12 1156 1043 A 82 LYS HE3 A 100 LEU HD1% 1.0 0.0 4.15 1157 1043 A 82 LYS HE2 A 100 LEU HD1% 1.0 0.0 4.15 1158 1043 A 100 LEU HD2% A 82 LYS HE2 1.0 0.0 4.15 1159 1043 A 100 LEU HD2% A 82 LYS HE3 1.0 0.0 4.15 1160 1044 A 101 LEU HA A 100 LEU HD1% 1.0 0.0 5.01 1161 1044 A 100 LEU HD2% A 101 LEU HA 1.0 0.0 5.01 1162 1045 A 82 LYS HA A 100 LEU HD1% 1.0 0.0 4.75 1163 1045 A 82 LYS HA A 100 LEU HD2% 1.0 0.0 4.75 1164 1046 A 100 LEU HA A 100 LEU HD1% 1.0 0.0 3.75 1165 1046 A 100 LEU HD2% A 100 LEU HA 1.0 0.0 3.75 1166 1047 A 109 GLN HE22 A 100 LEU HD1% 1.0 0.0 4.43 1167 1047 A 100 LEU HD2% A 109 GLN HE22 1.0 0.0 4.43 1168 1048 A 81 TRP H A 100 LEU HD1% 1.0 0.0 5.15 1169 1048 A 81 TRP H A 100 LEU HD2% 1.0 0.0 5.15 1170 1049 A 102 GLU H A 100 LEU HD1% 1.0 0.0 5.26 1171 1049 A 100 LEU HD2% A 102 GLU H 1.0 0.0 5.26 1172 1050 A 101 LEU H A 100 LEU HD1% 1.0 0.0 3.98 1173 1050 A 101 LEU H A 100 LEU HD2% 1.0 0.0 3.98 1174 1051 A 101 LEU HD1% A 108 MET HG2 1.0 0.0 4.74 1175 1051 A 108 MET HG3 A 101 LEU HD1% 1.0 0.0 4.74 1176 1052 A 101 LEU HD1% A 101 LEU HA 1.0 0.0 3.95 1177 1053 A 108 MET HA A 101 LEU HD1% 1.0 0.0 4.75 1178 1054 A 101 LEU HD1% A 81 TRP HE3 1.0 0.0 5.06 1179 1055 A 102 GLU H A 101 LEU HD1% 1.0 0.0 4.35 1180 1056 A 101 LEU HD2% A 108 MET HG2 1.0 0.0 5.38 1181 1056 A 108 MET HG3 A 101 LEU HD2% 1.0 0.0 5.38 1182 1057 A 101 LEU HD2% A 81 TRP HBx 1.0 0.0 5.78 1183 1058 A 101 LEU HD2% A 81 TRP HBy 1.0 0.0 5.78 1184 1059 A 101 LEU HA A 101 LEU HD2% 1.0 0.0 4.62 1185 1060 A 81 TRP HE3 A 101 LEU HD2% 1.0 0.0 5.29 1186 1061 A 50 TRP HE1 A 101 LEU HD2% 1.0 0.0 5.15 1187 1062 A 102 GLU H A 101 LEU HD2% 1.0 0.0 5.78 1188 1063 A 100 LEU HD2% A 102 GLU HGx 1.0 0.0 4.83 1189 1063 A 100 LEU HD1% A 102 GLU HGx 1.0 0.0 4.83 1190 1064 A 102 GLU H A 102 GLU HGx 1.0 0.0 4.98 1191 1065 A 102 GLU H A 102 GLU HGy 1.0 0.0 4.98 1192 1066 A 20 LEU HD2% A 124 SER HBx 1.0 0.0 4.83 1193 1067 A 125 PHE H A 124 SER HBx 1.0 0.0 5.53 1194 1068 A 50 TRP H A 107 GLU HA 1.0 0.0 4.16 1195 1069 A 99 LEU HD2% A 108 MET HG2 1.0 0.0 4.84 1196 1069 A 99 LEU HD2% A 108 MET HG3 1.0 0.0 4.84 1197 1070 A 110 ILE HG12 A 108 MET HG2 1.0 0.0 5.25 1198 1070 A 108 MET HG3 A 110 ILE HG12 1.0 0.0 5.25 1199 1071 A 108 MET HA A 108 MET HG2 1.0 0.0 4.25 1200 1071 A 108 MET HG3 A 108 MET HA 1.0 0.0 4.25 1201 1072 A 100 LEU HA A 108 MET HG2 1.0 0.0 5.78 1202 1072 A 108 MET HG3 A 100 LEU HA 1.0 0.0 5.78 1203 1073 A 108 MET H A 108 MET HG2 1.0 0.0 5.33 1204 1073 A 108 MET H A 108 MET HG3 1.0 0.0 5.33 1205 1074 A 108 MET HE% A 101 LEU HD2% 1.0 0.0 4.04 1206 1075 A 101 LEU HD1% A 108 MET HE% 1.0 0.0 3.91 1207 1076 A 133 ILE HD1% A 108 MET HE% 1.0 0.0 4.00 1208 1077 A 108 MET HE% A 59 LEU HD2% 1.0 0.0 4.35 1209 1078 A 99 LEU HD2% A 108 MET HE% 1.0 0.0 4.97 1210 1079 A 133 ILE HG2% A 108 MET HE% 1.0 0.0 4.79 1211 1080 A 99 LEU HD1% A 108 MET HE% 1.0 0.0 3.80 1212 1081 A 108 MET HE% A 99 LEU HB2 1.0 0.0 3.91 1213 1081 A 99 LEU HB3 A 108 MET HE% 1.0 0.0 3.91 1214 1082 A 108 MET HE% A 108 MET HBx 1.0 0.0 4.13 1215 1083 A 108 MET HE% A 108 MET HG2 1.0 0.0 3.62 1216 1083 A 108 MET HG3 A 108 MET HE% 1.0 0.0 3.62 1217 1084 A 108 MET HE% A 108 MET HBy 1.0 0.0 4.13 1218 1085 A 108 MET HA A 108 MET HE% 1.0 0.0 4.74 1219 1086 A 108 MET HE% A 54 PHE HZ 1.0 0.0 4.92 1220 1087 A 108 MET HE% A 54 PHE HE% 1.0 0.0 4.51 1221 1088 A 108 MET HE% A 81 TRP HZ3 1.0 0.0 4.50 1222 1089 A 108 MET HE% A 50 TRP HH2 1.0 0.0 5.04 1223 1090 A 108 MET HE% A 50 TRP HZ3 1.0 0.0 4.55 1224 1091 A 108 MET HE% A 50 TRP HZ2 1.0 0.0 5.45 1225 1092 A 108 MET HE% A 81 TRP HE3 1.0 0.0 5.74 1226 1093 A 108 MET HE% A 50 TRP HE3 1.0 0.0 4.63 1227 1094 A 101 LEU H A 108 MET HE% 1.0 0.0 5.78 1228 1095 A 109 GLN H A 108 MET HE% 1.0 0.0 5.78 1229 1096 A 62 ALA HB% A 65 VAL HB 1.0 0.0 5.34 1230 1097 A 109 GLN H A 109 GLN HGx 1.0 0.0 5.10 1231 1098 A 110 ILE H A 109 GLN HGy 1.0 0.0 5.46 1232 1099 A 109 GLN H A 109 GLN HGy 1.0 0.0 5.10 1233 1100 A 110 ILE H A 110 ILE HG13 1.0 0.0 4.69 1234 1101 A 97 THR HG2% A 110 ILE HG2% 1.0 0.0 3.58 1235 1102 A 110 ILE HG2% A 110 ILE HG13 1.0 0.0 4.17 1236 1103 A 110 ILE HG2% A 46 GLN HBy 1.0 0.0 5.78 1237 1104 A 110 ILE HG2% A 108 MET HG2 1.0 0.0 5.78 1238 1104 A 108 MET HG3 A 110 ILE HG2% 1.0 0.0 5.78 1239 1105 A 110 ILE HG2% A 46 GLN HBx 1.0 0.0 5.78 1240 1106 A 110 ILE HA A 110 ILE HG2% 1.0 0.0 3.92 1241 1107 A 99 LEU HA A 110 ILE HG2% 1.0 0.0 5.01 1242 1108 A 45 GLN HA A 110 ILE HG2% 1.0 0.0 5.62 1243 1109 A 112 VAL HA A 110 ILE HG2% 1.0 0.0 5.78 1244 1110 A 46 GLN H A 110 ILE HG2% 1.0 0.0 5.32 1245 1111 A 110 ILE H A 110 ILE HG2% 1.0 0.0 4.82 1246 1112 A 98 GLU H A 110 ILE HG2% 1.0 0.0 5.21 1247 1113 A 110 ILE HG2% A 112 VAL H 1.0 0.0 5.78 1248 1114 A 110 ILE HB A 110 ILE HD1% 1.0 0.0 3.72 1249 1115 A 110 ILE HD1% A 108 MET HG2 1.0 0.0 4.28 1250 1115 A 108 MET HG3 A 110 ILE HD1% 1.0 0.0 4.28 1251 1116 A 110 ILE HA A 110 ILE HD1% 1.0 0.0 4.60 1252 1117 A 110 ILE H A 110 ILE HD1% 1.0 0.0 4.92 1253 1118 A 111 SER HA A 110 ILE HG2% 1.0 0.0 5.78 1254 1119 A 45 GLN HA A 111 SER HA 1.0 0.0 4.15 1255 1120 A 98 GLU H A 111 SER HBy 1.0 0.0 5.78 1256 1121 A 112 VAL HB A 44 HIS HBx 1.0 0.0 4.85 1257 1122 A 112 VAL HB A 44 HIS HBy 1.0 0.0 4.85 1258 1123 A 112 VAL HG1% A 126 ILE HD1% 1.0 0.0 4.78 1259 1124 A 97 THR HG1 A 112 VAL HG1% 1.0 0.0 5.33 1260 1125 A 112 VAL HA A 112 VAL HG1% 1.0 0.0 3.98 1261 1126 A 112 VAL HG1% A 97 THR HA 1.0 0.0 5.13 1262 1127 A 125 PHE HD% A 112 VAL HG1% 1.0 0.0 4.68 1263 1128 A 125 PHE HE% A 112 VAL HG1% 1.0 0.0 4.45 1264 1129 A 96 LEU H A 112 VAL HG1% 1.0 0.0 5.08 1265 1130 A 112 VAL H A 112 VAL HG1% 1.0 0.0 5.04 1266 1131 A 113 LYS H A 112 VAL HG1% 1.0 0.0 4.08 1267 1132 A 112 VAL HG2% A 129 LEU HD1% 1.0 0.0 3.79 1268 1133 A 110 ILE HG2% A 112 VAL HG2% 1.0 0.0 3.62 1269 1134 A 112 VAL HG2% A 44 HIS HBx 1.0 0.0 5.46 1270 1135 A 112 VAL HG2% A 44 HIS HBy 1.0 0.0 5.46 1271 1136 A 112 VAL HG2% A 126 ILE HA 1.0 0.0 5.78 1272 1137 A 112 VAL HA A 112 VAL HG2% 1.0 0.0 4.11 1273 1138 A 111 SER HA A 112 VAL HG2% 1.0 0.0 4.86 1274 1139 A 112 VAL HG2% A 97 THR HA 1.0 0.0 5.10 1275 1140 A 112 VAL HG2% A 125 PHE HE% 1.0 0.0 4.60 1276 1141 A 113 LYS H A 112 VAL HG2% 1.0 0.0 4.99 1277 1142 A 99 LEU HA A 108 MET HG2 1.0 0.0 4.91 1278 1142 A 108 MET HG3 A 99 LEU HA 1.0 0.0 4.91 1279 1143 A 115 ASN H A 114 GLN HG2 1.0 0.0 5.16 1280 1143 A 114 GLN HG3 A 115 ASN H 1.0 0.0 5.16 1281 1144 A 94 LEU HD1% A 114 GLN HA 1.0 0.0 5.08 1282 1145 A 116 GLU HA A 116 GLU HG2 1.0 0.0 4.14 1283 1145 A 116 GLU HG3 A 116 GLU HA 1.0 0.0 4.14 1284 1146 A 116 GLU H A 116 GLU HG2 1.0 0.0 4.55 1285 1146 A 116 GLU H A 116 GLU HG3 1.0 0.0 4.55 1286 1147 A 115 ASN HD22 A 116 GLU HG2 1.0 0.0 5.26 1287 1147 A 115 ASN HD22 A 116 GLU HG3 1.0 0.0 5.26 1288 1148 A 115 ASN HD21 A 116 GLU HG2 1.0 0.0 5.16 1289 1148 A 115 ASN HD21 A 116 GLU HG3 1.0 0.0 5.16 1290 1149 A 117 ALA HA A 114 GLN HG2 1.0 0.0 4.75 1291 1149 A 114 GLN HG3 A 117 ALA HA 1.0 0.0 4.75 1292 1150 A 117 ALA HB% A 116 GLU HA 1.0 0.0 4.80 1293 1151 A 118 ARG HG3 A 121 THR H 1.0 0.0 5.29 1294 1152 A 121 THR HG2% A 118 ARG HDx 1.0 0.0 5.34 1295 1153 A 121 THR HG2% A 118 ARG HDy 1.0 0.0 5.34 1296 1154 A 122 LEU HD2% A 119 THR HA 1.0 0.0 4.79 1297 1155 A 119 THR HB A 120 GLU HB2 1.0 0.0 5.01 1298 1155 A 120 GLU HB3 A 119 THR HB 1.0 0.0 5.01 1299 1156 A 119 THR HG2% A 123 ASN HD22 1.0 0.0 4.23 1300 1157 A 59 LEU H A 58 THR HG2% 1.0 0.0 4.84 1301 1158 A 123 ASN HB2 A 120 GLU HA 1.0 0.0 4.74 1302 1159 A 118 ARG HG2 A 120 GLU HB2 1.0 0.0 4.63 1303 1159 A 118 ARG HG2 A 120 GLU HB3 1.0 0.0 4.63 1304 1160 A 120 GLU HA A 120 GLU HG2 1.0 0.0 4.05 1305 1160 A 120 GLU HG3 A 120 GLU HA 1.0 0.0 4.05 1306 1161 A 121 THR H A 120 GLU HG2 1.0 0.0 4.82 1307 1161 A 120 GLU HG3 A 121 THR H 1.0 0.0 4.82 1308 1162 A 121 THR HB A 95 PHE HE% 1.0 0.0 4.78 1309 1163 A 20 LEU HD1% A 121 THR HG2% 1.0 0.0 3.89 1310 1164 A 121 THR HG2% A 120 GLU HB2 1.0 0.0 4.90 1311 1164 A 120 GLU HB3 A 121 THR HG2% 1.0 0.0 4.90 1312 1165 A 121 THR HG2% A 120 GLU HG2 1.0 0.0 4.62 1313 1165 A 120 GLU HG3 A 121 THR HG2% 1.0 0.0 4.62 1314 1166 A 121 THR HG2% A 121 THR HA 1.0 0.0 3.82 1315 1167 A 95 PHE HE% A 121 THR HG2% 1.0 0.0 4.55 1316 1168 A 121 THR H A 121 THR HG2% 1.0 0.0 4.40 1317 1169 A 122 LEU HA A 95 PHE HD% 1.0 0.0 5.78 1318 1170 A 112 VAL HB A 122 LEU HD1% 1.0 0.0 4.34 1319 1171 A 122 LEU HD1% A 122 LEU HA 1.0 0.0 3.91 1320 1172 A 122 LEU HD1% A 44 HIS HD2 1.0 0.0 4.46 1321 1173 A 28 LEU H A 28 LEU HD2% 1.0 0.0 4.87 1322 1174 A 122 LEU HD1% A 126 ILE H 1.0 0.0 5.46 1323 1175 A 122 LEU HD2% A 126 ILE HD1% 1.0 0.0 4.58 1324 1176 A 122 LEU HD2% A 44 HIS HD2 1.0 0.0 5.30 1325 1177 A 122 LEU HD2% A 44 HIS HE1 1.0 0.0 5.62 1326 1178 A 124 SER HA A 127 SER HB2 1.0 0.0 3.99 1327 1178 A 127 SER HB3 A 124 SER HA 1.0 0.0 3.99 1328 1179 A 125 PHE H A 124 SER HBy 1.0 0.0 5.53 1329 1180 A 125 PHE HA A 20 LEU HD2% 1.0 0.0 4.25 1330 1181 A 128 VAL HG2% A 125 PHE HA 1.0 0.0 4.54 1331 1182 A 128 VAL HB A 125 PHE HA 1.0 0.0 4.75 1332 1183 A 26 ARG H A 25 ASN HBx 1.0 0.0 5.28 1333 1184 A 126 ILE HA A 129 LEU HBx 1.0 0.0 4.97 1334 1185 A 126 ILE HA A 129 LEU HBy 1.0 0.0 4.97 1335 1186 A 126 ILE HB A 123 ASN HA 1.0 0.0 4.76 1336 1187 A 126 ILE HG2% A 126 ILE HG1x 1.0 0.0 4.24 1337 1188 A 126 ILE HG2% A 48 LEU HD1% 1.0 0.0 5.65 1338 1189 A 122 LEU HD1% A 126 ILE HG2% 1.0 0.0 5.78 1339 1190 A 126 ILE HG2% A 126 ILE HG1y 1.0 0.0 4.24 1340 1191 A 126 ILE HG2% A 130 GLU HGx 1.0 0.0 4.92 1341 1192 A 126 ILE HG2% A 126 ILE HA 1.0 0.0 3.86 1342 1193 A 126 ILE HG2% A 123 ASN HA 1.0 0.0 5.23 1343 1194 A 126 ILE HG2% A 126 ILE HD1% 1.0 0.0 3.48 1344 1195 A 122 LEU HD1% A 126 ILE HD1% 1.0 0.0 3.98 1345 1196 A 112 VAL HG2% A 126 ILE HD1% 1.0 0.0 4.08 1346 1197 A 122 LEU HG A 126 ILE HD1% 1.0 0.0 4.28 1347 1198 A 126 ILE HB A 126 ILE HD1% 1.0 0.0 4.20 1348 1199 A 126 ILE HD1% A 44 HIS HBx 1.0 0.0 4.88 1349 1200 A 126 ILE HD1% A 44 HIS HBy 1.0 0.0 4.88 1350 1201 A 126 ILE HA A 126 ILE HD1% 1.0 0.0 4.77 1351 1202 A 123 ASN HA A 126 ILE HD1% 1.0 0.0 4.26 1352 1203 A 126 ILE HD1% A 44 HIS HD2 1.0 0.0 4.59 1353 1204 A 126 ILE H A 126 ILE HD1% 1.0 0.0 4.60 1354 1205 A 126 ILE HG2% A 127 SER HA 1.0 0.0 4.95 1355 1206 A 132 VAL HB A 129 LEU HA 1.0 0.0 5.23 1356 1207 A 128 VAL HG1% A 66 VAL HB 1.0 0.0 4.49 1357 1208 A 128 VAL HG1% A 128 VAL HA 1.0 0.0 3.82 1358 1209 A 128 VAL HG1% A 131 THR HB 1.0 0.0 5.11 1359 1210 A 128 VAL HG2% A 128 VAL HA 1.0 0.0 3.57 1360 1211 A 128 VAL HG2% A 127 SER HB2 1.0 0.0 4.48 1361 1211 A 128 VAL HG2% A 127 SER HB3 1.0 0.0 4.48 1362 1212 A 128 VAL HG2% A 124 SER HA 1.0 0.0 5.42 1363 1213 A 128 VAL HG2% A 131 THR HB 1.0 0.0 5.25 1364 1214 A 128 VAL HG2% A 128 VAL H 1.0 0.0 3.58 1365 1215 A 129 LEU HD2% A 129 LEU HA 1.0 0.0 3.84 1366 1216 A 132 VAL HG2% A 129 LEU HA 1.0 0.0 4.86 1367 1217 A 129 LEU H A 129 LEU HG 1.0 0.0 4.75 1368 1218 A 129 LEU HD1% A 133 ILE HG13 1.0 0.0 5.31 1369 1219 A 110 ILE HB A 129 LEU HD1% 1.0 0.0 5.78 1370 1220 A 129 LEU HD1% A 126 ILE HA 1.0 0.0 5.11 1371 1221 A 129 LEU HD1% A 129 LEU HA 1.0 0.0 4.18 1372 1222 A 97 THR HG2% A 129 LEU HD2% 1.0 0.0 3.74 1373 1223 A 129 LEU HD2% A 125 PHE HE% 1.0 0.0 4.92 1374 1224 A 129 LEU H A 129 LEU HD2% 1.0 0.0 5.25 1375 1225 A 133 ILE HD1% A 130 GLU HA 1.0 0.0 4.58 1376 1226 A 130 GLU HA A 48 LEU HD1% 1.0 0.0 5.40 1377 1227 A 133 ILE HG2% A 130 GLU HA 1.0 0.0 5.78 1378 1228 A 133 ILE HB A 130 GLU HA 1.0 0.0 4.55 1379 1229 A 133 ILE H A 130 GLU HA 1.0 0.0 4.97 1380 1230 A 48 LEU HD1% A 130 GLU HGx 1.0 0.0 5.06 1381 1231 A 126 ILE HG2% A 130 GLU HGy 1.0 0.0 4.92 1382 1232 A 48 LEU HD1% A 130 GLU HGy 1.0 0.0 5.06 1383 1233 A 128 VAL HA A 131 THR HB 1.0 0.0 4.20 1384 1234 A 131 THR HG2% A 128 VAL HA 1.0 0.0 5.20 1385 1235 A 131 THR HG2% A 131 THR HA 1.0 0.0 3.60 1386 1236 A 131 THR HG2% A 132 VAL H 1.0 0.0 4.49 1387 1237 A 132 VAL HA A 66 VAL HG1% 1.0 0.0 5.78 1388 1238 A 131 THR HB A 132 VAL HA 1.0 0.0 5.12 1389 1239 A 132 VAL HA A 135 THR HB 1.0 0.0 5.68 1390 1240 A 132 VAL HB A 66 VAL HG1% 1.0 0.0 5.78 1391 1241 A 66 VAL HG2% A 132 VAL HB 1.0 0.0 5.78 1392 1242 A 132 VAL HG1% A 63 LEU HG 1.0 0.0 4.28 1393 1243 A 132 VAL HG1% A 132 VAL HA 1.0 0.0 3.82 1394 1244 A 132 VAL HG1% A 129 LEU HA 1.0 0.0 5.70 1395 1245 A 132 VAL HG1% A 133 ILE HA 1.0 0.0 5.78 1396 1246 A 132 VAL HG1% A 63 LEU HA 1.0 0.0 4.35 1397 1247 A 132 VAL HG1% A 132 VAL H 1.0 0.0 4.64 1398 1248 A 128 VAL HG1% A 132 VAL HG2% 1.0 0.0 3.37 1399 1249 A 132 VAL HG2% A 132 VAL HA 1.0 0.0 3.60 1400 1250 A 63 LEU HA A 132 VAL HG2% 1.0 0.0 5.26 1401 1251 A 132 VAL HG2% A 131 THR HB 1.0 0.0 5.05 1402 1252 A 132 VAL HG2% A 132 VAL H 1.0 0.0 3.59 1403 1253 A 59 LEU HD1% A 133 ILE HA 1.0 0.0 4.36 1404 1254 A 133 ILE H A 133 ILE HG12 1.0 0.0 4.64 1405 1255 A 133 ILE HG13 A 133 ILE HG2% 1.0 0.0 4.36 1406 1256 A 133 ILE HG13 A 129 LEU HA 1.0 0.0 5.38 1407 1257 A 133 ILE HG2% A 133 ILE HA 1.0 0.0 3.93 1408 1258 A 133 ILE HG2% A 134 GLY H 1.0 0.0 4.56 1409 1259 A 136 ILE HD1% A 58 THR HG2% 1.0 0.0 3.55 1410 1260 A 133 ILE HB A 133 ILE HD1% 1.0 0.0 4.33 1411 1261 A 136 ILE HD1% A 133 ILE HA 1.0 0.0 4.07 1412 1262 A 133 ILE HD1% A 50 TRP HZ3 1.0 0.0 4.78 1413 1263 A 133 ILE H A 133 ILE HD1% 1.0 0.0 4.47 1414 1264 A 135 THR HG2% A 135 THR HA 1.0 0.0 3.65 1415 1265 A 137 GLU H A 135 THR HA 1.0 0.0 4.99 1416 1266 A 136 ILE H A 135 THR HB 1.0 0.0 4.60 1417 1267 A 135 THR H A 135 THR HB 1.0 0.0 4.08 1418 1268 A 135 THR HG2% A 132 VAL HA 1.0 0.0 4.56 1419 1269 A 136 ILE HD1% A 136 ILE HA 1.0 0.0 4.12 1420 1270 A 136 ILE HB A 58 THR HG2% 1.0 0.0 5.78 1421 1271 A 135 THR HG2% A 136 ILE HB 1.0 0.0 5.78 1422 1272 A 136 ILE HG2% A 58 THR HG2% 1.0 0.0 4.08 1423 1273 A 136 ILE HG2% A 136 ILE HG1x 1.0 0.0 4.20 1424 1274 A 136 ILE HG2% A 136 ILE HG1y 1.0 0.0 4.20 1425 1275 A 136 ILE HG2% A 133 ILE HA 1.0 0.0 5.20 1426 1276 A 136 ILE HG2% A 136 ILE HA 1.0 0.0 3.56 1427 1277 A 136 ILE HG2% A 137 GLU H 1.0 0.0 4.24 1428 1278 A 136 ILE HD1% A 136 ILE HB 1.0 0.0 3.90 1429 1279 A 136 ILE HD1% A 59 LEU HA 1.0 0.0 3.79 1430 1280 A 59 LEU H A 136 ILE HD1% 1.0 0.0 4.68 1431 1281 A 139 ILE H A 139 ILE HD1% 1.0 0.0 4.45 1432 1282 A 137 GLU H A 137 GLU HGy 1.0 0.0 4.77 1433 1283 A 139 ILE H A 138 GLU HBx 1.0 0.0 5.26 1434 1284 A 139 ILE HB A 139 ILE HD1% 1.0 0.0 4.43 1435 1285 A 139 ILE HA A 139 ILE HG1y 1.0 0.0 4.42 1436 1286 A 139 ILE HA A 139 ILE HG1x 1.0 0.0 4.42 1437 1287 A 139 ILE HG2% A 139 ILE HA 1.0 0.0 3.80 1438 1288 A 139 ILE H A 139 ILE HG2% 1.0 0.0 4.41 1439 1289 A 139 ILE HA A 139 ILE HD1% 1.0 0.0 4.39 1440 1290 A 141 SER H A 140 LYS HA 1.0 0.0 3.73 1441 1291 A 140 LYS HA A 140 LYS HD2 1.0 0.0 4.91 1442 1291 A 140 LYS HA A 140 LYS HD3 1.0 0.0 4.91 1443 1292 A 20 LEU HD1% A 95 PHE HE% 1.0 0.0 4.85 1444 1293 A 22 LEU HD2% A 87 ALA HB% 1.0 0.0 3.60 1445 1294 A 87 ALA HB% A 95 PHE H 1.0 0.0 5.30 1446 1295 A 33 PHE HB2 A 28 LEU HD1% 1.0 0.0 5.31 1447 1296 A 33 PHE HD% A 28 LEU HD2% 1.0 0.0 5.57 1448 1297 A 32 TYR H A 29 THR HG2% 1.0 0.0 5.22 1449 1298 A 30 ALA HB% A 29 THR HB 1.0 0.0 4.96 1450 1299 A 33 PHE HB2 A 96 LEU HD2% 1.0 0.0 5.78 1451 1300 A 38 LEU HD1% A 34 GLU HGx 1.0 0.0 4.68 1452 1301 A 56 PRO HA A 81 TRP HZ2 1.0 0.0 5.46 1453 1302 A 63 LEU HA A 66 VAL HG1% 1.0 0.0 5.78 1454 1303 A 63 LEU H A 66 VAL HG2% 1.0 0.0 5.42 1455 1304 A 66 VAL H A 67 ASN HA 1.0 0.0 4.80 1456 1305 A 68 ILE HB A 63 LEU HBx 1.0 0.0 4.95 1457 1306 A 82 LYS HA A 100 LEU HA 1.0 0.0 4.33 1458 1307 A 97 THR HB A 85 LEU HBx 1.0 0.0 4.90 1459 1308 A 96 LEU HD2% A 94 LEU HD1% 1.0 0.0 4.05 1460 1309 A 33 PHE HD% A 96 LEU HD1% 1.0 0.0 5.54 1461 1310 A 96 LEU HD2% A 28 LEU HD1% 1.0 0.0 4.48 1462 1311 A 36 THR HG2% A 96 LEU HD2% 1.0 0.0 3.51 1463 1312 A 37 TRP HB2 A 96 LEU HD2% 1.0 0.0 5.10 1464 1313 A 98 GLU H A 97 THR HB 1.0 0.0 5.48 1465 1314 A 102 GLU HGy A 100 LEU HD1% 1.0 0.0 4.83 1466 1314 A 100 LEU HD2% A 102 GLU HGy 1.0 0.0 4.83 1467 1315 A 110 ILE HB A 112 VAL HG2% 1.0 0.0 5.16 1468 1316 A 59 LEU HG A 63 LEU HD1% 1.0 0.0 4.13 1469 1317 A 123 ASN HB3 A 120 GLU HA 1.0 0.0 5.26 1470 1318 A 122 LEU H A 121 THR HG2% 1.0 0.0 5.22 1471 1319 A 122 LEU HD2% A 122 LEU HA 1.0 0.0 5.29 1472 1320 A 75 ARG HA A 76 ALA HB% 1.0 0.0 5.60 1473 1321 A 131 THR HG2% A 132 VAL HA 1.0 0.0 4.85 1474 1322 A 132 VAL HG1% A 133 ILE HG13 1.0 0.0 4.90 1475 1323 A 62 ALA HB% A 132 VAL HG2% 1.0 0.0 4.36 1476 1324 A 139 ILE HG2% A 139 ILE HG1x 1.0 0.0 4.12 1477 1325 A 139 ILE HG2% A 139 ILE HG1y 1.0 0.0 4.12 1478 1326 A 100 LEU HA A 82 LYS HG2 1.0 0.0 5.21 1479 1326 A 82 LYS HG3 A 100 LEU HA 1.0 0.0 5.21 1480 1327 A 42 VAL HG2% A 113 LYS HEx 1.0 0.0 4.74 1481 1328 A 33 PHE HD% A 86 SER HBx 1.0 0.0 5.47 1482 1329 A 54 PHE HD% A 108 MET HE% 1.0 0.0 4.67 1483 1330 A 54 PHE HD% A 54 PHE HA 1.0 0.0 4.18 1484 1331 A 54 PHE H A 54 PHE HD% 1.0 0.0 4.77 1485 1332 A 59 LEU HD2% A 54 PHE HE% 1.0 0.0 4.21 1486 1333 A 20 LEU HD2% A 95 PHE HD% 1.0 0.0 5.34 1487 1334 A 22 LEU HD2% A 95 PHE HD% 1.0 0.0 5.51 1488 1335 A 94 LEU HD2% A 95 PHE HD% 1.0 0.0 4.80 1489 1336 A 112 VAL HG1% A 95 PHE HD% 1.0 0.0 4.23 1490 1337 A 94 LEU HA A 95 PHE HD% 1.0 0.0 4.78 1491 1338 A 95 PHE HA A 95 PHE HD% 1.0 0.0 5.04 1492 1339 A 95 PHE H A 95 PHE HD% 1.0 0.0 4.38 1493 1340 A 122 LEU HA A 95 PHE HE% 1.0 0.0 4.55 1494 1341 A 125 PHE HD% A 20 LEU HD2% 1.0 0.0 4.13 1495 1342 A 122 LEU HD1% A 125 PHE HD% 1.0 0.0 4.59 1496 1343 A 22 LEU HD1% A 125 PHE HD% 1.0 0.0 4.21 1497 1344 A 125 PHE HD% A 125 PHE HA 1.0 0.0 4.37 1498 1345 A 125 PHE H A 125 PHE HD% 1.0 0.0 5.20 1499 1346 A 129 LEU HD1% A 125 PHE HE% 1.0 0.0 4.54 1500 1347 A 68 ILE HG2% A 125 PHE HE% 1.0 0.0 5.78 1501 1348 A 22 LEU HD1% A 125 PHE HE% 1.0 0.0 4.62 1502 1349 A 97 THR HG2% A 125 PHE HE% 1.0 0.0 4.64 1503 1350 A 68 ILE HD1% A 125 PHE HZ 1.0 0.0 4.55 1504 1351 A 129 LEU HD1% A 125 PHE HZ 1.0 0.0 4.78 1505 1352 A 87 ALA HB% A 125 PHE HZ 1.0 0.0 4.76 1506 1353 A 97 THR HG1 A 125 PHE HZ 1.0 0.0 4.82 1507 1354 A 28 LEU HD2% A 32 TYR HD% 1.0 0.0 3.74 1508 1355 A 28 LEU HD1% A 32 TYR HD% 1.0 0.0 3.87 1509 1356 A 94 LEU HG A 32 TYR HD% 1.0 0.0 5.34 1510 1357 A 28 LEU HB3 A 32 TYR HD% 1.0 0.0 4.21 1511 1358 A 28 LEU HG A 32 TYR HD% 1.0 0.0 4.73 1512 1359 A 33 PHE HA A 32 TYR HD% 1.0 0.0 4.86 1513 1360 A 32 TYR HA A 32 TYR HD% 1.0 0.0 3.97 1514 1361 A 33 PHE H A 32 TYR HD% 1.0 0.0 4.37 1515 1362 A 32 TYR HE% A 28 LEU HD2% 1.0 0.0 3.58 1516 1363 A 72 ALA HB% A 84 TYR HD% 1.0 0.0 4.06 1517 1364 A 84 TYR HD% A 84 TYR HA 1.0 0.0 4.24 1518 1365 A 84 TYR HD% A 33 PHE HE% 1.0 0.0 4.16 1519 1366 A 84 TYR HD% A 85 LEU H 1.0 0.0 4.62 1520 1367 A 84 TYR HE% A 82 LYS HG2 1.0 0.0 4.71 1521 1367 A 82 LYS HG3 A 84 TYR HE% 1.0 0.0 4.71 1522 1368 A 72 ALA HB% A 84 TYR HE% 1.0 0.0 4.54 1523 1369 A 84 TYR HE% A 82 LYS HB2 1.0 0.0 5.13 1524 1369 A 82 LYS HB3 A 84 TYR HE% 1.0 0.0 5.13 1525 1370 A 84 TYR HE% A 82 LYS HD2 1.0 0.0 4.48 1526 1370 A 82 LYS HD3 A 84 TYR HE% 1.0 0.0 4.48 1527 1371 A 84 TYR HE% A 98 GLU HGx 1.0 0.0 4.84 1528 1372 A 84 TYR HE% A 98 GLU HGy 1.0 0.0 4.84 1529 1373 A 84 TYR HE% A 98 GLU HBx 1.0 0.0 4.42 1530 1374 A 84 TYR HE% A 98 GLU HBy 1.0 0.0 4.42 1531 1375 A 84 TYR HE% A 82 LYS HE2 1.0 0.0 4.82 1532 1375 A 82 LYS HE3 A 84 TYR HE% 1.0 0.0 4.82 1533 1376 A 38 LEU HD2% A 37 TRP HD1 1.0 0.0 3.78 1534 1377 A 38 LEU HG A 37 TRP HD1 1.0 0.0 4.29 1535 1378 A 38 LEU HA A 37 TRP HD1 1.0 0.0 4.46 1536 1379 A 42 VAL HG2% A 37 TRP HH2 1.0 0.0 4.98 1537 1380 A 37 TRP HH2 A 98 GLU HBx 1.0 0.0 4.77 1538 1381 A 37 TRP HH2 A 98 GLU HBy 1.0 0.0 4.77 1539 1382 A 37 TRP HH2 A 111 SER HBx 1.0 0.0 4.95 1540 1383 A 37 TRP HH2 A 111 SER HBy 1.0 0.0 4.95 1541 1384 A 98 GLU H A 37 TRP HH2 1.0 0.0 4.57 1542 1385 A 101 LEU HD2% A 50 TRP HD1 1.0 0.0 4.53 1543 1386 A 101 LEU HD1% A 50 TRP HD1 1.0 0.0 4.82 1544 1387 A 133 ILE HG2% A 50 TRP HE3 1.0 0.0 4.57 1545 1388 A 50 TRP HA A 50 TRP HE3 1.0 0.0 4.38 1546 1389 A 133 ILE HG2% A 50 TRP HH2 1.0 0.0 4.47 1547 1390 A 136 ILE HG2% A 50 TRP HH2 1.0 0.0 4.87 1548 1391 A 133 ILE HD1% A 50 TRP HH2 1.0 0.0 5.78 1549 1392 A 136 ILE HD1% A 50 TRP HH2 1.0 0.0 5.78 1550 1393 A 136 ILE HG2% A 50 TRP HZ2 1.0 0.0 4.47 1551 1394 A 50 TRP HZ2 A 54 PHE HA 1.0 0.0 4.43 1552 1395 A 133 ILE HG2% A 50 TRP HZ3 1.0 0.0 4.22 1553 1396 A 81 TRP HD1 A 74 SER HBy 1.0 0.0 4.75 1554 1397 A 76 ALA HA A 81 TRP HD1 1.0 0.0 4.46 1555 1398 A 81 TRP HD1 A 81 TRP HA 1.0 0.0 4.88 1556 1399 A 81 TRP HE3 A 101 LEU HBx 1.0 0.0 5.20 1557 1400 A 81 TRP HE3 A 99 LEU HB2 1.0 0.0 4.84 1558 1400 A 99 LEU HB3 A 81 TRP HE3 1.0 0.0 4.84 1559 1401 A 81 TRP HE3 A 101 LEU HBy 1.0 0.0 5.20 1560 1402 A 101 LEU H A 81 TRP HE3 1.0 0.0 4.56 1561 1403 A 59 LEU HD2% A 81 TRP HH2 1.0 0.0 4.04 1562 1404 A 83 ALA HB% A 81 TRP HH2 1.0 0.0 3.97 1563 1405 A 81 TRP HH2 A 99 LEU HB2 1.0 0.0 4.91 1564 1405 A 99 LEU HB3 A 81 TRP HH2 1.0 0.0 4.91 1565 1406 A 81 TRP HH2 A 54 PHE HZ 1.0 0.0 4.86 1566 1407 A 59 LEU HD2% A 81 TRP HZ2 1.0 0.0 4.63 1567 1408 A 83 ALA HB% A 81 TRP HZ2 1.0 0.0 4.23 1568 1409 A 81 TRP HZ2 A 56 PRO HBx 1.0 0.0 4.60 1569 1410 A 81 TRP HZ2 A 56 PRO HBy 1.0 0.0 4.60 1570 1411 A 81 TRP HZ2 A 73 MET HGy 1.0 0.0 5.17 1571 1412 A 99 LEU HD1% A 81 TRP HZ3 1.0 0.0 4.64 1572 1413 A 81 TRP HZ3 A 99 LEU HB2 1.0 0.0 4.67 1573 1413 A 99 LEU HB3 A 81 TRP HZ3 1.0 0.0 4.67 1574 1414 A 126 ILE HG2% A 44 HIS HD2 1.0 0.0 4.75 1575 1415 A 110 ILE HG2% A 44 HIS HD2 1.0 0.0 4.92 1576 1416 A 112 VAL HG2% A 44 HIS HD2 1.0 0.0 4.15 1577 1417 A 44 HIS HD2 A 44 HIS HA 1.0 0.0 4.73 1578 1418 A 55 HIS HD2 A 53 GLU HB2 1.0 0.0 4.43 1579 1418 A 53 GLU HB3 A 55 HIS HD2 1.0 0.0 4.43 1580 1419 A 55 HIS HA A 55 HIS HD2 1.0 0.0 4.79 1581 1420 A 33 PHE HD% A 86 SER HBy 1.0 0.0 5.47 1582 1421 A 94 LEU HD1% A 95 PHE HD% 1.0 0.0 4.99 1583 1422 A 112 VAL HG2% A 125 PHE HD% 1.0 0.0 5.13 1584 1423 A 81 TRP HD1 A 74 SER HBx 1.0 0.0 4.75 1585 1424 A 81 TRP HZ2 A 73 MET HGx 1.0 0.0 5.17 1586 1425 A 29 THR H A 32 TYR HD% 1.0 0.0 4.60 1587 1426 A 32 TYR HE% A 32 TYR HA 1.0 0.0 4.99 1588 1427 A 33 PHE HD% A 84 TYR HD% 1.0 0.0 4.84 1589 1428 A 37 TRP HE3 A 96 LEU HBx 1.0 0.0 4.90 1590 1429 A 37 TRP HE3 A 96 LEU HBy 1.0 0.0 4.90 1591 1430 A 14 LEU H A 13 GLU HBy 1.0 0.0 4.62 1592 1430 A 14 LEU H A 13 GLU HBx 1.0 0.0 4.62 1593 1431 A 14 LEU H A 14 LEU HBx 1.0 0.0 3.70 1594 1431 A 14 LEU H A 14 LEU HBy 1.0 0.0 3.70 1595 1432 A 14 LEU HBy A 15 PRO HDx 1.0 0.0 3.73 1596 1432 A 14 LEU HBx A 15 PRO HDx 1.0 0.0 3.73 1597 1432 A 15 PRO HDy A 14 LEU HBx 1.0 0.0 3.73 1598 1432 A 14 LEU HBy A 15 PRO HDy 1.0 0.0 3.73 1599 1433 A 14 LEU HD1% A 15 PRO HDx 1.0 0.0 5.62 1600 1433 A 14 LEU HD1% A 15 PRO HDy 1.0 0.0 5.62 1601 1434 A 14 LEU HD2% A 15 PRO HDx 1.0 0.0 4.30 1602 1434 A 14 LEU HD2% A 15 PRO HDy 1.0 0.0 4.30 1603 1435 A 16 ASP H A 16 ASP HBy 1.0 0.0 3.81 1604 1435 A 16 ASP H A 16 ASP HBx 1.0 0.0 3.81 1605 1436 A 20 LEU H A 20 LEU HBy 1.0 0.0 3.64 1606 1436 A 20 LEU H A 20 LEU HBx 1.0 0.0 3.64 1607 1437 A 20 LEU HBx A 124 SER HBy 1.0 0.0 4.22 1608 1437 A 20 LEU HBy A 124 SER HBy 1.0 0.0 4.22 1609 1437 A 124 SER HBx A 20 LEU HBy 1.0 0.0 4.22 1610 1437 A 20 LEU HBx A 124 SER HBx 1.0 0.0 4.22 1611 1438 A 20 LEU HD2% A 125 PHE HBx 1.0 0.0 4.83 1612 1438 A 20 LEU HD2% A 125 PHE HBy 1.0 0.0 4.83 1613 1439 A 21 MET H A 21 MET HBx 1.0 0.0 3.86 1614 1439 A 21 MET H A 21 MET HBy 1.0 0.0 3.86 1615 1440 A 90 ASP H A 21 MET HBx 1.0 0.0 5.22 1616 1440 A 90 ASP H A 21 MET HBy 1.0 0.0 5.22 1617 1441 A 22 LEU HD1% A 22 LEU HBy 1.0 0.0 3.33 1618 1441 A 22 LEU HD1% A 22 LEU HBx 1.0 0.0 3.33 1619 1442 A 22 LEU HD1% A 68 ILE HG1y 1.0 0.0 4.90 1620 1442 A 22 LEU HD1% A 68 ILE HG1x 1.0 0.0 4.90 1621 1443 A 23 VAL HA A 24 PRO HGy 1.0 0.0 5.37 1622 1443 A 23 VAL HA A 24 PRO HGx 1.0 0.0 5.37 1623 1444 A 23 VAL HG2% A 88 GLN HBy 1.0 0.0 4.29 1624 1444 A 23 VAL HG2% A 88 GLN HBx 1.0 0.0 4.29 1625 1445 A 23 VAL HG2% A 88 GLN HGy 1.0 0.0 4.96 1626 1445 A 23 VAL HG2% A 88 GLN HGx 1.0 0.0 4.96 1627 1446 A 23 VAL HG2% A 90 ASP HBy 1.0 0.0 4.41 1628 1446 A 23 VAL HG2% A 90 ASP HBx 1.0 0.0 4.41 1629 1447 A 25 ASN H A 24 PRO HBy 1.0 0.0 4.30 1630 1447 A 25 ASN H A 24 PRO HBx 1.0 0.0 4.30 1631 1448 A 24 PRO HD2 A 67 ASN HD2x 1.0 0.0 4.92 1632 1448 A 67 ASN HD2y A 24 PRO HD2 1.0 0.0 4.92 1633 1448 A 24 PRO HD3 A 67 ASN HD2y 1.0 0.0 4.92 1634 1448 A 24 PRO HD3 A 67 ASN HD2x 1.0 0.0 4.92 1635 1449 A 25 ASN H A 88 GLN HBy 1.0 0.0 5.32 1636 1449 A 25 ASN H A 88 GLN HBx 1.0 0.0 5.32 1637 1450 A 26 ARG H A 25 ASN HBy 1.0 0.0 4.60 1638 1450 A 26 ARG H A 25 ASN HBx 1.0 0.0 4.60 1639 1451 A 25 ASN HD21 A 88 GLN HBy 1.0 0.0 5.17 1640 1451 A 88 GLN HBx A 25 ASN HD21 1.0 0.0 5.17 1641 1452 A 25 ASN HD22 A 88 GLN HBy 1.0 0.0 5.12 1642 1452 A 88 GLN HBx A 25 ASN HD22 1.0 0.0 5.12 1643 1453 A 26 ARG H A 26 ARG HGx 1.0 0.0 4.79 1644 1453 A 26 ARG H A 26 ARG HGy 1.0 0.0 4.79 1645 1454 A 27 GLN H A 26 ARG HBx 1.0 0.0 4.36 1646 1454 A 27 GLN H A 26 ARG HBy 1.0 0.0 4.36 1647 1455 A 27 GLN H A 26 ARG HDx 1.0 0.0 5.22 1648 1455 A 27 GLN H A 26 ARG HDy 1.0 0.0 5.22 1649 1456 A 27 GLN H A 27 GLN HBx 1.0 0.0 3.64 1650 1456 A 27 GLN H A 27 GLN HBy 1.0 0.0 3.64 1651 1457 A 69 GLN HE21 A 27 GLN HBx 1.0 0.0 5.19 1652 1457 A 69 GLN HE21 A 27 GLN HBy 1.0 0.0 5.19 1653 1458 A 69 GLN HE22 A 27 GLN HBx 1.0 0.0 5.07 1654 1458 A 69 GLN HE22 A 27 GLN HBy 1.0 0.0 5.07 1655 1459 A 28 LEU HD1% A 86 SER HBy 1.0 0.0 4.03 1656 1459 A 28 LEU HD1% A 86 SER HBx 1.0 0.0 4.03 1657 1460 A 28 LEU HD2% A 32 TYR HBy 1.0 0.0 4.99 1658 1460 A 28 LEU HD2% A 32 TYR HBx 1.0 0.0 4.99 1659 1461 A 31 ASP H A 32 TYR HBy 1.0 0.0 4.98 1660 1461 A 31 ASP H A 32 TYR HBx 1.0 0.0 4.98 1661 1462 A 31 ASP HA A 34 GLU HBy 1.0 0.0 4.16 1662 1462 A 31 ASP HA A 34 GLU HBx 1.0 0.0 4.16 1663 1463 A 31 ASP HA A 34 GLU HGx 1.0 0.0 5.19 1664 1463 A 31 ASP HA A 34 GLU HGy 1.0 0.0 5.19 1665 1464 A 33 PHE H A 32 TYR HBy 1.0 0.0 4.20 1666 1464 A 33 PHE H A 32 TYR HBx 1.0 0.0 4.20 1667 1465 A 33 PHE HD% A 86 SER HBy 1.0 0.0 4.58 1668 1465 A 33 PHE HD% A 86 SER HBx 1.0 0.0 4.58 1669 1466 A 33 PHE HE% A 86 SER HBy 1.0 0.0 5.12 1670 1466 A 33 PHE HE% A 86 SER HBx 1.0 0.0 5.12 1671 1467 A 33 PHE HE% A 96 LEU HBx 1.0 0.0 5.07 1672 1467 A 33 PHE HE% A 96 LEU HBy 1.0 0.0 5.07 1673 1468 A 34 GLU H A 34 GLU HBy 1.0 0.0 3.39 1674 1468 A 34 GLU H A 34 GLU HBx 1.0 0.0 3.39 1675 1469 A 34 GLU H A 34 GLU HGx 1.0 0.0 4.11 1676 1469 A 34 GLU H A 34 GLU HGy 1.0 0.0 4.11 1677 1470 A 34 GLU H A 35 LYS HBy 1.0 0.0 5.15 1678 1470 A 34 GLU H A 35 LYS HBx 1.0 0.0 5.15 1679 1471 A 35 LYS H A 34 GLU HBy 1.0 0.0 3.82 1680 1471 A 35 LYS H A 34 GLU HBx 1.0 0.0 3.82 1681 1472 A 35 LYS HA A 34 GLU HBy 1.0 0.0 5.17 1682 1472 A 35 LYS HA A 34 GLU HBx 1.0 0.0 5.17 1683 1473 A 35 LYS H A 34 GLU HGx 1.0 0.0 4.41 1684 1473 A 35 LYS H A 34 GLU HGy 1.0 0.0 4.41 1685 1474 A 38 LEU HD1% A 34 GLU HGx 1.0 0.0 4.05 1686 1474 A 38 LEU HD1% A 34 GLU HGy 1.0 0.0 4.05 1687 1475 A 35 LYS H A 35 LYS HBy 1.0 0.0 3.48 1688 1475 A 35 LYS H A 35 LYS HBx 1.0 0.0 3.48 1689 1476 A 36 THR H A 35 LYS HGx 1.0 0.0 5.03 1690 1476 A 36 THR H A 35 LYS HGy 1.0 0.0 5.03 1691 1477 A 37 TRP HA A 113 LYS HDx 1.0 0.0 5.18 1692 1477 A 37 TRP HA A 113 LYS HDy 1.0 0.0 5.18 1693 1478 A 37 TRP HE3 A 96 LEU HBx 1.0 0.0 4.32 1694 1478 A 37 TRP HE3 A 96 LEU HBy 1.0 0.0 4.32 1695 1479 A 37 TRP HZ2 A 98 GLU HBy 1.0 0.0 4.75 1696 1479 A 37 TRP HZ2 A 98 GLU HBx 1.0 0.0 4.75 1697 1480 A 37 TRP HH2 A 111 SER HBy 1.0 0.0 4.17 1698 1480 A 37 TRP HH2 A 111 SER HBx 1.0 0.0 4.17 1699 1481 A 40 LEU HB3 A 113 LYS HDx 1.0 0.0 5.61 1700 1481 A 40 LEU HB2 A 113 LYS HDx 1.0 0.0 5.61 1701 1481 A 113 LYS HDy A 40 LEU HB2 1.0 0.0 5.61 1702 1481 A 40 LEU HB3 A 113 LYS HDy 1.0 0.0 5.61 1703 1482 A 40 LEU HB3 A 113 LYS HEy 1.0 0.0 5.54 1704 1482 A 40 LEU HB2 A 113 LYS HEy 1.0 0.0 5.54 1705 1482 A 113 LYS HEx A 40 LEU HB2 1.0 0.0 5.54 1706 1482 A 40 LEU HB3 A 113 LYS HEx 1.0 0.0 5.54 1707 1483 A 40 LEU HD1% A 113 LYS HBx 1.0 0.0 4.88 1708 1483 A 40 LEU HD1% A 113 LYS HBy 1.0 0.0 4.88 1709 1484 A 40 LEU HD2% A 113 LYS HBx 1.0 0.0 5.34 1710 1484 A 40 LEU HD2% A 113 LYS HBy 1.0 0.0 5.34 1711 1485 A 40 LEU HD2% A 115 ASN HBx 1.0 0.0 4.85 1712 1485 A 40 LEU HD2% A 115 ASN HBy 1.0 0.0 4.85 1713 1486 A 41 LYS H A 41 LYS HBx 1.0 0.0 3.65 1714 1486 A 41 LYS H A 41 LYS HBy 1.0 0.0 3.65 1715 1487 A 42 VAL H A 41 LYS HBx 1.0 0.0 3.95 1716 1487 A 42 VAL H A 41 LYS HBy 1.0 0.0 3.95 1717 1488 A 42 VAL HA A 41 LYS HBx 1.0 0.0 5.07 1718 1488 A 42 VAL HA A 41 LYS HBy 1.0 0.0 5.07 1719 1489 A 42 VAL HA A 113 LYS HBx 1.0 0.0 4.86 1720 1489 A 42 VAL HA A 113 LYS HBy 1.0 0.0 4.86 1721 1490 A 42 VAL HG1% A 45 GLN HBy 1.0 0.0 3.82 1722 1490 A 42 VAL HG1% A 45 GLN HBx 1.0 0.0 3.82 1723 1491 A 42 VAL HG1% A 111 SER HBy 1.0 0.0 4.57 1724 1491 A 42 VAL HG1% A 111 SER HBx 1.0 0.0 4.57 1725 1492 A 42 VAL HG2% A 111 SER HBy 1.0 0.0 4.61 1726 1492 A 42 VAL HG2% A 111 SER HBx 1.0 0.0 4.61 1727 1493 A 42 VAL HG2% A 113 LYS HEy 1.0 0.0 3.97 1728 1493 A 42 VAL HG2% A 113 LYS HEx 1.0 0.0 3.97 1729 1494 A 112 VAL HB A 44 HIS HBx 1.0 0.0 4.21 1730 1494 A 112 VAL HB A 44 HIS HBy 1.0 0.0 4.21 1731 1495 A 112 VAL HG1% A 44 HIS HBx 1.0 0.0 4.66 1732 1495 A 112 VAL HG1% A 44 HIS HBy 1.0 0.0 4.66 1733 1496 A 112 VAL HG2% A 44 HIS HBx 1.0 0.0 4.67 1734 1496 A 112 VAL HG2% A 44 HIS HBy 1.0 0.0 4.67 1735 1497 A 122 LEU HD2% A 44 HIS HBx 1.0 0.0 4.57 1736 1497 A 122 LEU HD2% A 44 HIS HBy 1.0 0.0 4.57 1737 1498 A 126 ILE HD1% A 44 HIS HBx 1.0 0.0 4.18 1738 1498 A 126 ILE HD1% A 44 HIS HBy 1.0 0.0 4.18 1739 1499 A 44 HIS HD2 A 126 ILE HG1x 1.0 0.0 4.96 1740 1499 A 44 HIS HD2 A 126 ILE HG1y 1.0 0.0 4.96 1741 1500 A 44 HIS HE1 A 46 GLN HBy 1.0 0.0 4.80 1742 1500 A 44 HIS HE1 A 46 GLN HBx 1.0 0.0 4.80 1743 1501 A 45 GLN H A 45 GLN HGy 1.0 0.0 5.13 1744 1501 A 45 GLN H A 45 GLN HGx 1.0 0.0 5.13 1745 1502 A 46 GLN H A 45 GLN HBy 1.0 0.0 4.63 1746 1502 A 46 GLN H A 45 GLN HBx 1.0 0.0 4.63 1747 1503 A 46 GLN H A 45 GLN HGy 1.0 0.0 3.90 1748 1503 A 46 GLN H A 45 GLN HGx 1.0 0.0 3.90 1749 1504 A 110 ILE H A 45 GLN HGy 1.0 0.0 5.10 1750 1504 A 110 ILE H A 45 GLN HGx 1.0 0.0 5.10 1751 1505 A 111 SER HA A 45 GLN HGy 1.0 0.0 5.16 1752 1505 A 111 SER HA A 45 GLN HGx 1.0 0.0 5.16 1753 1506 A 47 VAL H A 46 GLN HBy 1.0 0.0 3.86 1754 1506 A 47 VAL H A 46 GLN HBx 1.0 0.0 3.86 1755 1507 A 110 ILE HD1% A 46 GLN HBy 1.0 0.0 4.89 1756 1507 A 110 ILE HD1% A 46 GLN HBx 1.0 0.0 4.89 1757 1508 A 47 VAL H A 46 GLN HGy 1.0 0.0 4.47 1758 1508 A 47 VAL H A 46 GLN HGx 1.0 0.0 4.47 1759 1509 A 48 LEU HD1% A 46 GLN HGy 1.0 0.0 5.44 1760 1509 A 48 LEU HD1% A 46 GLN HGx 1.0 0.0 5.44 1761 1510 A 47 VAL HG2% A 109 GLN HGy 1.0 0.0 3.87 1762 1510 A 47 VAL HG2% A 109 GLN HGx 1.0 0.0 3.87 1763 1511 A 48 LEU H A 108 MET HBy 1.0 0.0 5.01 1764 1511 A 48 LEU H A 108 MET HBx 1.0 0.0 5.01 1765 1512 A 48 LEU HB3 A 108 MET HBy 1.0 0.0 4.80 1766 1512 A 48 LEU HB3 A 108 MET HBx 1.0 0.0 4.80 1767 1513 A 48 LEU HD1% A 130 GLU HBy 1.0 0.0 5.32 1768 1513 A 48 LEU HD1% A 130 GLU HBx 1.0 0.0 5.32 1769 1514 A 48 LEU HD1% A 130 GLU HGx 1.0 0.0 4.43 1770 1514 A 48 LEU HD1% A 130 GLU HGy 1.0 0.0 4.43 1771 1515 A 48 LEU HD2% A 49 PRO HGy 1.0 0.0 4.43 1772 1515 A 48 LEU HD2% A 49 PRO HGx 1.0 0.0 4.43 1773 1516 A 50 TRP H A 49 PRO HBy 1.0 0.0 4.12 1774 1516 A 50 TRP H A 49 PRO HBx 1.0 0.0 4.12 1775 1517 A 50 TRP H A 49 PRO HGy 1.0 0.0 4.97 1776 1517 A 50 TRP H A 49 PRO HGx 1.0 0.0 4.97 1777 1518 A 50 TRP HA A 137 GLU HGy 1.0 0.0 5.07 1778 1518 A 50 TRP HA A 137 GLU HGx 1.0 0.0 5.07 1779 1519 A 101 LEU HD1% A 50 TRP HBx 1.0 0.0 4.90 1780 1519 A 101 LEU HD1% A 50 TRP HBy 1.0 0.0 4.90 1781 1520 A 108 MET H A 50 TRP HBx 1.0 0.0 5.11 1782 1520 A 108 MET H A 50 TRP HBy 1.0 0.0 5.11 1783 1521 A 50 TRP HE3 A 108 MET HBy 1.0 0.0 4.42 1784 1521 A 50 TRP HE3 A 108 MET HBx 1.0 0.0 4.42 1785 1522 A 51 ARG HA A 51 ARG HGy 1.0 0.0 3.93 1786 1522 A 51 ARG HA A 51 ARG HGx 1.0 0.0 3.93 1787 1523 A 52 GLY H A 51 ARG HGy 1.0 0.0 4.97 1788 1523 A 52 GLY H A 51 ARG HGx 1.0 0.0 4.97 1789 1524 A 58 THR H A 55 HIS HBy 1.0 0.0 4.39 1790 1524 A 58 THR H A 55 HIS HBx 1.0 0.0 4.39 1791 1525 A 58 THR HB A 55 HIS HBy 1.0 0.0 4.39 1792 1525 A 58 THR HB A 55 HIS HBx 1.0 0.0 4.39 1793 1526 A 56 PRO HA A 59 LEU HBy 1.0 0.0 4.41 1794 1526 A 56 PRO HA A 59 LEU HBx 1.0 0.0 4.41 1795 1527 A 57 ASP H A 56 PRO HBy 1.0 0.0 4.26 1796 1527 A 57 ASP H A 56 PRO HBx 1.0 0.0 4.26 1797 1528 A 57 ASP HA A 56 PRO HBy 1.0 0.0 4.66 1798 1528 A 57 ASP HA A 56 PRO HBx 1.0 0.0 4.66 1799 1529 A 57 ASP H A 56 PRO HGy 1.0 0.0 4.67 1800 1529 A 57 ASP H A 56 PRO HGx 1.0 0.0 4.67 1801 1530 A 76 ALA H A 56 PRO HGy 1.0 0.0 5.21 1802 1530 A 76 ALA H A 56 PRO HGx 1.0 0.0 5.21 1803 1531 A 81 TRP HE1 A 56 PRO HGy 1.0 0.0 4.59 1804 1531 A 81 TRP HE1 A 56 PRO HGx 1.0 0.0 4.59 1805 1532 A 57 ASP H A 56 PRO HDy 1.0 0.0 4.74 1806 1532 A 57 ASP H A 56 PRO HDx 1.0 0.0 4.74 1807 1533 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.83 1808 1533 A 57 ASP H A 57 ASP HBy 1.0 0.0 3.83 1809 1534 A 57 ASP HA A 60 GLN HBx 1.0 0.0 4.27 1810 1534 A 57 ASP HA A 60 GLN HBy 1.0 0.0 4.27 1811 1535 A 58 THR H A 57 ASP HBx 1.0 0.0 4.30 1812 1535 A 58 THR H A 57 ASP HBy 1.0 0.0 4.30 1813 1536 A 59 LEU HD1% A 59 LEU HBy 1.0 0.0 3.53 1814 1536 A 59 LEU HD1% A 59 LEU HBx 1.0 0.0 3.53 1815 1537 A 60 GLN H A 59 LEU HBy 1.0 0.0 4.23 1816 1537 A 60 GLN H A 59 LEU HBx 1.0 0.0 4.23 1817 1538 A 63 LEU HD1% A 59 LEU HBy 1.0 0.0 4.88 1818 1538 A 63 LEU HD1% A 59 LEU HBx 1.0 0.0 4.88 1819 1539 A 136 ILE HD1% A 59 LEU HBy 1.0 0.0 4.71 1820 1539 A 136 ILE HD1% A 59 LEU HBx 1.0 0.0 4.71 1821 1540 A 59 LEU HD1% A 63 LEU HBy 1.0 0.0 5.09 1822 1540 A 59 LEU HD1% A 63 LEU HBx 1.0 0.0 5.09 1823 1541 A 60 GLN H A 60 GLN HGy 1.0 0.0 4.47 1824 1541 A 60 GLN H A 60 GLN HGx 1.0 0.0 4.47 1825 1542 A 60 GLN HA A 63 LEU HBy 1.0 0.0 5.13 1826 1542 A 60 GLN HA A 63 LEU HBx 1.0 0.0 5.13 1827 1543 A 61 MET H A 60 GLN HBx 1.0 0.0 4.06 1828 1543 A 61 MET H A 60 GLN HBy 1.0 0.0 4.06 1829 1544 A 61 MET HA A 60 GLN HBx 1.0 0.0 4.08 1830 1544 A 61 MET HA A 60 GLN HBy 1.0 0.0 4.08 1831 1545 A 60 GLN HBx A 61 MET HGy 1.0 0.0 4.24 1832 1545 A 60 GLN HBy A 61 MET HGy 1.0 0.0 4.24 1833 1545 A 61 MET HGx A 60 GLN HBx 1.0 0.0 4.24 1834 1545 A 60 GLN HBy A 61 MET HGx 1.0 0.0 4.24 1835 1546 A 61 MET H A 60 GLN HGy 1.0 0.0 5.02 1836 1546 A 61 MET H A 60 GLN HGx 1.0 0.0 5.02 1837 1547 A 70 THR HB A 60 GLN HGy 1.0 0.0 4.21 1838 1547 A 70 THR HB A 60 GLN HGx 1.0 0.0 4.21 1839 1548 A 70 THR HG2% A 60 GLN HGy 1.0 0.0 3.99 1840 1548 A 70 THR HG2% A 60 GLN HGx 1.0 0.0 3.99 1841 1549 A 61 MET HA A 64 GLN HBx 1.0 0.0 4.55 1842 1549 A 61 MET HA A 64 GLN HBy 1.0 0.0 4.55 1843 1550 A 61 MET HA A 64 GLN HGy 1.0 0.0 4.95 1844 1550 A 61 MET HA A 64 GLN HGx 1.0 0.0 4.95 1845 1551 A 64 GLN H A 63 LEU HBy 1.0 0.0 4.35 1846 1551 A 64 GLN H A 63 LEU HBx 1.0 0.0 4.35 1847 1552 A 68 ILE H A 63 LEU HBy 1.0 0.0 5.21 1848 1552 A 68 ILE H A 63 LEU HBx 1.0 0.0 5.21 1849 1553 A 68 ILE HG2% A 63 LEU HBy 1.0 0.0 4.21 1850 1553 A 68 ILE HG2% A 63 LEU HBx 1.0 0.0 4.21 1851 1554 A 68 ILE HD1% A 63 LEU HBy 1.0 0.0 5.08 1852 1554 A 68 ILE HD1% A 63 LEU HBx 1.0 0.0 5.08 1853 1555 A 64 GLN H A 64 GLN HGy 1.0 0.0 4.46 1854 1555 A 64 GLN H A 64 GLN HGx 1.0 0.0 4.46 1855 1556 A 65 VAL H A 64 GLN HBx 1.0 0.0 4.40 1856 1556 A 65 VAL H A 64 GLN HBy 1.0 0.0 4.40 1857 1557 A 66 VAL HG2% A 68 ILE HG1y 1.0 0.0 4.45 1858 1557 A 66 VAL HG2% A 68 ILE HG1x 1.0 0.0 4.45 1859 1558 A 68 ILE H A 68 ILE HG1y 1.0 0.0 4.45 1860 1558 A 68 ILE H A 68 ILE HG1x 1.0 0.0 4.45 1861 1559 A 68 ILE HG2% A 85 LEU HBx 1.0 0.0 3.94 1862 1559 A 68 ILE HG2% A 85 LEU HBy 1.0 0.0 3.94 1863 1560 A 125 PHE HE% A 68 ILE HG1y 1.0 0.0 5.61 1864 1560 A 125 PHE HE% A 68 ILE HG1x 1.0 0.0 5.61 1865 1561 A 68 ILE HD1% A 95 PHE HBy 1.0 0.0 4.89 1866 1561 A 68 ILE HD1% A 95 PHE HBx 1.0 0.0 4.89 1867 1562 A 71 ILE HD1% A 69 GLN HBx 1.0 0.0 5.03 1868 1562 A 71 ILE HD1% A 69 GLN HBy 1.0 0.0 5.03 1869 1563 A 86 SER H A 69 GLN HBx 1.0 0.0 4.84 1870 1563 A 86 SER H A 69 GLN HBy 1.0 0.0 4.84 1871 1564 A 70 THR H A 69 GLN HGy 1.0 0.0 4.23 1872 1564 A 70 THR H A 69 GLN HGx 1.0 0.0 4.23 1873 1565 A 71 ILE H A 69 GLN HGy 1.0 0.0 5.61 1874 1565 A 71 ILE H A 69 GLN HGx 1.0 0.0 5.61 1875 1566 A 71 ILE HD1% A 69 GLN HGy 1.0 0.0 4.68 1876 1566 A 71 ILE HD1% A 69 GLN HGx 1.0 0.0 4.68 1877 1567 A 70 THR HG2% A 73 MET HBx 1.0 0.0 3.90 1878 1567 A 70 THR HG2% A 73 MET HBy 1.0 0.0 3.90 1879 1568 A 70 THR HG2% A 73 MET HGy 1.0 0.0 4.29 1880 1568 A 70 THR HG2% A 73 MET HGx 1.0 0.0 4.29 1881 1569 A 71 ILE H A 71 ILE HG1x 1.0 0.0 4.63 1882 1569 A 71 ILE H A 71 ILE HG1y 1.0 0.0 4.63 1883 1570 A 72 ALA H A 71 ILE HG1x 1.0 0.0 5.09 1884 1570 A 72 ALA H A 71 ILE HG1y 1.0 0.0 5.09 1885 1571 A 85 LEU HA A 71 ILE HG1x 1.0 0.0 5.19 1886 1571 A 85 LEU HA A 71 ILE HG1y 1.0 0.0 5.19 1887 1572 A 86 SER H A 71 ILE HG1x 1.0 0.0 5.09 1888 1572 A 86 SER H A 71 ILE HG1y 1.0 0.0 5.09 1889 1573 A 86 SER HA A 71 ILE HG1x 1.0 0.0 5.61 1890 1573 A 86 SER HA A 71 ILE HG1y 1.0 0.0 5.61 1891 1574 A 71 ILE HG1x A 86 SER HBy 1.0 0.0 4.27 1892 1574 A 71 ILE HG1y A 86 SER HBy 1.0 0.0 4.27 1893 1574 A 86 SER HBx A 71 ILE HG1x 1.0 0.0 4.27 1894 1574 A 86 SER HBx A 71 ILE HG1y 1.0 0.0 4.27 1895 1575 A 71 ILE HD1% A 86 SER HBy 1.0 0.0 4.03 1896 1575 A 71 ILE HD1% A 86 SER HBx 1.0 0.0 4.03 1897 1576 A 74 SER H A 73 MET HBx 1.0 0.0 4.54 1898 1576 A 74 SER H A 73 MET HBy 1.0 0.0 4.54 1899 1577 A 81 TRP HE1 A 73 MET HBx 1.0 0.0 4.97 1900 1577 A 81 TRP HE1 A 73 MET HBy 1.0 0.0 4.97 1901 1578 A 81 TRP HZ2 A 73 MET HBx 1.0 0.0 4.51 1902 1578 A 81 TRP HZ2 A 73 MET HBy 1.0 0.0 4.51 1903 1579 A 83 ALA HA A 73 MET HBx 1.0 0.0 4.85 1904 1579 A 83 ALA HA A 73 MET HBy 1.0 0.0 4.85 1905 1580 A 83 ALA HB% A 73 MET HBx 1.0 0.0 4.21 1906 1580 A 83 ALA HB% A 73 MET HBy 1.0 0.0 4.21 1907 1581 A 74 SER H A 73 MET HGy 1.0 0.0 4.54 1908 1581 A 74 SER H A 73 MET HGx 1.0 0.0 4.54 1909 1582 A 81 TRP HE1 A 73 MET HGy 1.0 0.0 5.20 1910 1582 A 81 TRP HE1 A 73 MET HGx 1.0 0.0 5.20 1911 1583 A 81 TRP HZ2 A 73 MET HGy 1.0 0.0 4.38 1912 1583 A 81 TRP HZ2 A 73 MET HGx 1.0 0.0 4.38 1913 1584 A 81 TRP HA A 74 SER HBx 1.0 0.0 4.79 1914 1584 A 81 TRP HA A 74 SER HBy 1.0 0.0 4.79 1915 1585 A 81 TRP HD1 A 74 SER HBx 1.0 0.0 4.15 1916 1585 A 81 TRP HD1 A 74 SER HBy 1.0 0.0 4.15 1917 1586 A 82 LYS H A 74 SER HBx 1.0 0.0 4.23 1918 1586 A 82 LYS H A 74 SER HBy 1.0 0.0 4.23 1919 1587 A 75 ARG H A 75 ARG HBy 1.0 0.0 3.53 1920 1587 A 75 ARG H A 75 ARG HBx 1.0 0.0 3.53 1921 1588 A 75 ARG HBx A 75 ARG HD2 1.0 0.0 3.80 1922 1588 A 75 ARG HBy A 75 ARG HD2 1.0 0.0 3.80 1923 1588 A 75 ARG HD3 A 75 ARG HBy 1.0 0.0 3.80 1924 1588 A 75 ARG HBx A 75 ARG HD3 1.0 0.0 3.80 1925 1589 A 76 ALA H A 75 ARG HBy 1.0 0.0 4.40 1926 1589 A 76 ALA H A 75 ARG HBx 1.0 0.0 4.40 1927 1590 A 78 SER H A 78 SER HBx 1.0 0.0 3.68 1928 1590 A 78 SER H A 78 SER HBy 1.0 0.0 3.68 1929 1591 A 79 ARG H A 78 SER HBx 1.0 0.0 4.37 1930 1591 A 79 ARG H A 78 SER HBy 1.0 0.0 4.37 1931 1592 A 79 ARG H A 79 ARG HGy 1.0 0.0 4.80 1932 1592 A 79 ARG H A 79 ARG HGx 1.0 0.0 4.80 1933 1593 A 79 ARG HA A 79 ARG HDy 1.0 0.0 4.26 1934 1593 A 79 ARG HA A 79 ARG HDx 1.0 0.0 4.26 1935 1594 A 80 PRO HA A 79 ARG HBy 1.0 0.0 4.77 1936 1594 A 80 PRO HA A 79 ARG HBx 1.0 0.0 4.77 1937 1595 A 103 PRO HA A 79 ARG HBy 1.0 0.0 4.36 1938 1595 A 79 ARG HBx A 103 PRO HA 1.0 0.0 4.36 1939 1596 A 79 ARG HBy A 103 PRO HGy 1.0 0.0 4.74 1940 1596 A 79 ARG HBx A 103 PRO HGy 1.0 0.0 4.74 1941 1596 A 103 PRO HGx A 79 ARG HBy 1.0 0.0 4.74 1942 1596 A 79 ARG HBx A 103 PRO HGx 1.0 0.0 4.74 1943 1597 A 103 PRO HA A 79 ARG HGy 1.0 0.0 4.67 1944 1597 A 79 ARG HGx A 103 PRO HA 1.0 0.0 4.67 1945 1598 A 103 PRO HA A 79 ARG HDy 1.0 0.0 5.02 1946 1598 A 79 ARG HDx A 103 PRO HA 1.0 0.0 5.02 1947 1599 A 80 PRO HA A 103 PRO HGy 1.0 0.0 5.62 1948 1599 A 80 PRO HA A 103 PRO HGx 1.0 0.0 5.62 1949 1600 A 81 TRP H A 80 PRO HBx 1.0 0.0 4.19 1950 1600 A 81 TRP H A 80 PRO HBy 1.0 0.0 4.19 1951 1601 A 80 PRO HBx A 100 LEU HD1% 1.0 0.0 3.54 1952 1601 A 80 PRO HBy A 100 LEU HD1% 1.0 0.0 3.54 1953 1601 A 100 LEU HD2% A 80 PRO HBx 1.0 0.0 3.54 1954 1601 A 100 LEU HD2% A 80 PRO HBy 1.0 0.0 3.54 1955 1602 A 80 PRO HGx A 100 LEU HD1% 1.0 0.0 3.90 1956 1602 A 100 LEU HD2% A 80 PRO HGy 1.0 0.0 3.90 1957 1602 A 100 LEU HD2% A 80 PRO HGx 1.0 0.0 3.90 1958 1602 A 80 PRO HGy A 100 LEU HD1% 1.0 0.0 3.90 1959 1603 A 81 TRP H A 103 PRO HDy 1.0 0.0 5.23 1960 1603 A 81 TRP H A 103 PRO HDx 1.0 0.0 5.23 1961 1604 A 81 TRP HBy A 101 LEU HBy 1.0 0.0 4.20 1962 1604 A 101 LEU HBx A 81 TRP HBx 1.0 0.0 4.20 1963 1604 A 81 TRP HBy A 101 LEU HBx 1.0 0.0 4.20 1964 1604 A 81 TRP HBx A 101 LEU HBy 1.0 0.0 4.20 1965 1605 A 81 TRP HE3 A 101 LEU HBy 1.0 0.0 4.36 1966 1605 A 81 TRP HE3 A 101 LEU HBx 1.0 0.0 4.36 1967 1606 A 83 ALA H A 98 GLU HGx 1.0 0.0 5.61 1968 1606 A 83 ALA H A 98 GLU HGy 1.0 0.0 5.61 1969 1607 A 84 TYR HD% A 98 GLU HBy 1.0 0.0 4.38 1970 1607 A 84 TYR HD% A 98 GLU HBx 1.0 0.0 4.38 1971 1608 A 84 TYR HE% A 98 GLU HBy 1.0 0.0 3.62 1972 1608 A 84 TYR HE% A 98 GLU HBx 1.0 0.0 3.62 1973 1609 A 84 TYR HE% A 98 GLU HGx 1.0 0.0 4.24 1974 1609 A 84 TYR HE% A 98 GLU HGy 1.0 0.0 4.24 1975 1610 A 86 SER H A 85 LEU HBx 1.0 0.0 4.48 1976 1610 A 86 SER H A 85 LEU HBy 1.0 0.0 4.48 1977 1611 A 97 THR H A 85 LEU HBx 1.0 0.0 5.12 1978 1611 A 97 THR H A 85 LEU HBy 1.0 0.0 5.12 1979 1612 A 97 THR HB A 85 LEU HBx 1.0 0.0 4.12 1980 1612 A 97 THR HB A 85 LEU HBy 1.0 0.0 4.12 1981 1613 A 97 THR HG2% A 85 LEU HBx 1.0 0.0 4.23 1982 1613 A 97 THR HG2% A 85 LEU HBy 1.0 0.0 4.23 1983 1614 A 129 LEU HD1% A 85 LEU HBx 1.0 0.0 5.61 1984 1614 A 129 LEU HD1% A 85 LEU HBy 1.0 0.0 5.61 1985 1615 A 87 ALA H A 86 SER HBy 1.0 0.0 4.23 1986 1615 A 87 ALA H A 86 SER HBx 1.0 0.0 4.23 1987 1616 A 94 LEU HD1% A 86 SER HBy 1.0 0.0 4.86 1988 1616 A 94 LEU HD1% A 86 SER HBx 1.0 0.0 4.86 1989 1617 A 96 LEU HD2% A 86 SER HBy 1.0 0.0 4.24 1990 1617 A 96 LEU HD2% A 86 SER HBx 1.0 0.0 4.24 1991 1618 A 89 ASP H A 88 GLN HGy 1.0 0.0 4.62 1992 1618 A 89 ASP H A 88 GLN HGx 1.0 0.0 4.62 1993 1619 A 94 LEU HD1% A 88 GLN HGy 1.0 0.0 5.61 1994 1619 A 94 LEU HD1% A 88 GLN HGx 1.0 0.0 5.61 1995 1620 A 94 LEU HD2% A 88 GLN HGy 1.0 0.0 5.61 1996 1620 A 94 LEU HD2% A 88 GLN HGx 1.0 0.0 5.61 1997 1621 A 89 ASP H A 93 CYS HBy 1.0 0.0 5.09 1998 1621 A 89 ASP H A 93 CYS HBx 1.0 0.0 5.09 1999 1622 A 92 GLY H A 93 CYS HBy 1.0 0.0 4.80 2000 1622 A 92 GLY H A 93 CYS HBx 1.0 0.0 4.80 2001 1623 A 94 LEU HB3 A 115 ASN HBx 1.0 0.0 5.15 2002 1623 A 94 LEU HB2 A 115 ASN HBx 1.0 0.0 5.15 2003 1623 A 115 ASN HBy A 94 LEU HB2 1.0 0.0 5.15 2004 1623 A 94 LEU HB3 A 115 ASN HBy 1.0 0.0 5.15 2005 1624 A 94 LEU HD1% A 96 LEU HBx 1.0 0.0 4.96 2006 1624 A 94 LEU HD1% A 96 LEU HBy 1.0 0.0 4.96 2007 1625 A 96 LEU H A 114 GLN HBx 1.0 0.0 4.86 2008 1625 A 96 LEU H A 114 GLN HBy 1.0 0.0 4.86 2009 1626 A 98 GLU H A 111 SER HBy 1.0 0.0 4.86 2010 1626 A 98 GLU H A 111 SER HBx 1.0 0.0 4.86 2011 1627 A 111 SER H A 98 GLU HBy 1.0 0.0 4.91 2012 1627 A 111 SER H A 98 GLU HBx 1.0 0.0 4.91 2013 1628 A 99 LEU H A 98 GLU HGx 1.0 0.0 5.52 2014 1628 A 99 LEU H A 98 GLU HGy 1.0 0.0 5.52 2015 1629 A 100 LEU H A 109 GLN HBy 1.0 0.0 4.75 2016 1629 A 100 LEU H A 109 GLN HBx 1.0 0.0 4.75 2017 1630 A 109 GLN H A 100 LEU HBy 1.0 0.0 4.68 2018 1630 A 109 GLN H A 100 LEU HBx 1.0 0.0 4.68 2019 1631 A 100 LEU HBy A 109 GLN HBy 1.0 0.0 3.84 2020 1631 A 100 LEU HBx A 109 GLN HBy 1.0 0.0 3.84 2021 1631 A 109 GLN HBx A 100 LEU HBy 1.0 0.0 3.84 2022 1631 A 109 GLN HBx A 100 LEU HBx 1.0 0.0 3.84 2023 1632 A 100 LEU HG A 109 GLN HBy 1.0 0.0 4.83 2024 1632 A 100 LEU HG A 109 GLN HBx 1.0 0.0 4.83 2025 1633 A 100 LEU HD2% A 102 GLU HGx 1.0 0.0 4.05 2026 1633 A 100 LEU HD1% A 102 GLU HGx 1.0 0.0 4.05 2027 1633 A 102 GLU HGy A 100 LEU HD1% 1.0 0.0 4.05 2028 1633 A 100 LEU HD2% A 102 GLU HGy 1.0 0.0 4.05 2029 1634 A 100 LEU HD2% A 109 GLN HBy 1.0 0.0 3.64 2030 1634 A 100 LEU HD1% A 109 GLN HBy 1.0 0.0 3.64 2031 1634 A 109 GLN HBx A 100 LEU HD1% 1.0 0.0 3.64 2032 1634 A 100 LEU HD2% A 109 GLN HBx 1.0 0.0 3.64 2033 1635 A 101 LEU HD1% A 108 MET HBy 1.0 0.0 4.19 2034 1635 A 101 LEU HD1% A 108 MET HBx 1.0 0.0 4.19 2035 1636 A 102 GLU H A 102 GLU HGx 1.0 0.0 4.37 2036 1636 A 102 GLU H A 102 GLU HGy 1.0 0.0 4.37 2037 1637 A 102 GLU HA A 103 PRO HGy 1.0 0.0 4.78 2038 1637 A 103 PRO HGx A 102 GLU HA 1.0 0.0 4.78 2039 1638 A 102 GLU HBy A 103 PRO HDy 1.0 0.0 4.00 2040 1638 A 102 GLU HBx A 103 PRO HDy 1.0 0.0 4.00 2041 1638 A 103 PRO HDx A 102 GLU HBy 1.0 0.0 4.00 2042 1638 A 103 PRO HDx A 102 GLU HBx 1.0 0.0 4.00 2043 1639 A 102 GLU HGy A 103 PRO HDy 1.0 0.0 4.85 2044 1639 A 102 GLU HGx A 103 PRO HDy 1.0 0.0 4.85 2045 1639 A 103 PRO HDx A 102 GLU HGx 1.0 0.0 4.85 2046 1639 A 103 PRO HDx A 102 GLU HGy 1.0 0.0 4.85 2047 1640 A 107 GLU H A 105 ASN HBx 1.0 0.0 4.44 2048 1640 A 107 GLU H A 105 ASN HBy 1.0 0.0 4.44 2049 1641 A 107 GLU H A 107 GLU HGx 1.0 0.0 4.18 2050 1641 A 107 GLU H A 107 GLU HGy 1.0 0.0 4.18 2051 1642 A 110 ILE HD1% A 108 MET HBy 1.0 0.0 4.18 2052 1642 A 110 ILE HD1% A 108 MET HBx 1.0 0.0 4.18 2053 1643 A 109 GLN H A 109 GLN HBy 1.0 0.0 3.81 2054 1643 A 109 GLN H A 109 GLN HBx 1.0 0.0 3.81 2055 1644 A 109 GLN HE21 A 109 GLN HBy 1.0 0.0 4.01 2056 1644 A 109 GLN HE21 A 109 GLN HBx 1.0 0.0 4.01 2057 1645 A 109 GLN HE22 A 109 GLN HBy 1.0 0.0 4.41 2058 1645 A 109 GLN HE22 A 109 GLN HBx 1.0 0.0 4.41 2059 1646 A 110 ILE H A 109 GLN HBy 1.0 0.0 4.53 2060 1646 A 110 ILE H A 109 GLN HBx 1.0 0.0 4.53 2061 1647 A 110 ILE H A 109 GLN HGy 1.0 0.0 4.67 2062 1647 A 110 ILE H A 109 GLN HGx 1.0 0.0 4.67 2063 1648 A 113 LYS H A 113 LYS HEy 1.0 0.0 5.61 2064 1648 A 113 LYS H A 113 LYS HEx 1.0 0.0 5.61 2065 1649 A 113 LYS HBx A 113 LYS HEy 1.0 0.0 4.90 2066 1649 A 113 LYS HBy A 113 LYS HEy 1.0 0.0 4.90 2067 1649 A 113 LYS HEx A 113 LYS HBx 1.0 0.0 4.90 2068 1649 A 113 LYS HEx A 113 LYS HBy 1.0 0.0 4.90 2069 1650 A 115 ASN H A 114 GLN HBx 1.0 0.0 4.32 2070 1650 A 115 ASN H A 114 GLN HBy 1.0 0.0 4.32 2071 1651 A 117 ALA HB% A 114 GLN HE2x 1.0 0.0 5.02 2072 1651 A 117 ALA HB% A 114 GLN HE2y 1.0 0.0 5.02 2073 1652 A 118 ARG H A 114 GLN HE2x 1.0 0.0 4.19 2074 1652 A 118 ARG H A 114 GLN HE2y 1.0 0.0 4.19 2075 1653 A 114 GLN HE2x A 118 ARG HBy 1.0 0.0 4.96 2076 1653 A 114 GLN HE2y A 118 ARG HBx 1.0 0.0 4.96 2077 1653 A 114 GLN HE2y A 118 ARG HBy 1.0 0.0 4.96 2078 1653 A 114 GLN HE2x A 118 ARG HBx 1.0 0.0 4.96 2079 1654 A 114 GLN HE2x A 122 LEU H 1.0 0.0 4.71 2080 1654 A 114 GLN HE2y A 122 LEU H 1.0 0.0 4.71 2081 1655 A 114 GLN HE2x A 122 LEU HA 1.0 0.0 5.02 2082 1655 A 114 GLN HE2y A 122 LEU HA 1.0 0.0 5.02 2083 1656 A 114 GLN HE2x A 122 LEU HBy 1.0 0.0 4.99 2084 1656 A 114 GLN HE2x A 122 LEU HBx 1.0 0.0 4.99 2085 1656 A 114 GLN HE2y A 122 LEU HBx 1.0 0.0 4.99 2086 1656 A 114 GLN HE2y A 122 LEU HBy 1.0 0.0 4.99 2087 1657 A 116 GLU H A 116 GLU HBx 1.0 0.0 3.84 2088 1657 A 116 GLU H A 116 GLU HBy 1.0 0.0 3.84 2089 1658 A 117 ALA H A 116 GLU HBx 1.0 0.0 4.22 2090 1658 A 117 ALA H A 116 GLU HBy 1.0 0.0 4.22 2091 1659 A 118 ARG H A 118 ARG HBx 1.0 0.0 3.82 2092 1659 A 118 ARG H A 118 ARG HBy 1.0 0.0 3.82 2093 1660 A 121 THR H A 118 ARG HBx 1.0 0.0 4.66 2094 1660 A 121 THR H A 118 ARG HBy 1.0 0.0 4.66 2095 1661 A 121 THR H A 118 ARG HDy 1.0 0.0 5.13 2096 1661 A 121 THR H A 118 ARG HDx 1.0 0.0 5.13 2097 1662 A 121 THR HG2% A 118 ARG HDy 1.0 0.0 4.43 2098 1662 A 121 THR HG2% A 118 ARG HDx 1.0 0.0 4.43 2099 1663 A 119 THR HA A 122 LEU HBy 1.0 0.0 4.44 2100 1663 A 119 THR HA A 122 LEU HBx 1.0 0.0 4.44 2101 1664 A 119 THR HG2% A 122 LEU HBy 1.0 0.0 4.63 2102 1664 A 119 THR HG2% A 122 LEU HBx 1.0 0.0 4.63 2103 1665 A 123 ASN H A 122 LEU HBy 1.0 0.0 3.87 2104 1665 A 123 ASN H A 122 LEU HBx 1.0 0.0 3.87 2105 1666 A 126 ILE HD1% A 122 LEU HBy 1.0 0.0 4.79 2106 1666 A 126 ILE HD1% A 122 LEU HBx 1.0 0.0 4.79 2107 1667 A 122 LEU HD1% A 125 PHE HBx 1.0 0.0 5.07 2108 1667 A 122 LEU HD1% A 125 PHE HBy 1.0 0.0 5.07 2109 1668 A 122 LEU HD1% A 126 ILE HG1x 1.0 0.0 3.92 2110 1668 A 122 LEU HD1% A 126 ILE HG1y 1.0 0.0 3.92 2111 1669 A 123 ASN HA A 126 ILE HG1x 1.0 0.0 5.61 2112 1669 A 123 ASN HA A 126 ILE HG1y 1.0 0.0 5.61 2113 1670 A 124 SER H A 124 SER HBy 1.0 0.0 3.69 2114 1670 A 124 SER H A 124 SER HBx 1.0 0.0 3.69 2115 1671 A 125 PHE H A 124 SER HBy 1.0 0.0 4.67 2116 1671 A 125 PHE H A 124 SER HBx 1.0 0.0 4.67 2117 1672 A 126 ILE H A 125 PHE HBx 1.0 0.0 4.26 2118 1672 A 126 ILE H A 125 PHE HBy 1.0 0.0 4.26 2119 1673 A 126 ILE H A 126 ILE HG1x 1.0 0.0 3.79 2120 1673 A 126 ILE H A 126 ILE HG1y 1.0 0.0 3.79 2121 1674 A 126 ILE HA A 129 LEU HBy 1.0 0.0 4.34 2122 1674 A 126 ILE HA A 129 LEU HBx 1.0 0.0 4.34 2123 1675 A 126 ILE HG2% A 130 GLU HBy 1.0 0.0 5.20 2124 1675 A 126 ILE HG2% A 130 GLU HBx 1.0 0.0 5.20 2125 1676 A 126 ILE HG2% A 130 GLU HGx 1.0 0.0 4.22 2126 1676 A 126 ILE HG2% A 130 GLU HGy 1.0 0.0 4.22 2127 1677 A 127 SER H A 126 ILE HG1x 1.0 0.0 4.82 2128 1677 A 127 SER H A 126 ILE HG1y 1.0 0.0 4.82 2129 1678 A 127 SER HA A 130 GLU HBy 1.0 0.0 4.43 2130 1678 A 127 SER HA A 130 GLU HBx 1.0 0.0 4.43 2131 1679 A 127 SER HA A 130 GLU HGx 1.0 0.0 4.96 2132 1679 A 127 SER HA A 130 GLU HGy 1.0 0.0 4.96 2133 1680 A 129 LEU H A 129 LEU HBy 1.0 0.0 3.46 2134 1680 A 129 LEU H A 129 LEU HBx 1.0 0.0 3.46 2135 1681 A 129 LEU H A 130 GLU HGx 1.0 0.0 5.09 2136 1681 A 129 LEU H A 130 GLU HGy 1.0 0.0 5.09 2137 1682 A 130 GLU H A 130 GLU HBy 1.0 0.0 3.77 2138 1682 A 130 GLU H A 130 GLU HBx 1.0 0.0 3.77 2139 1683 A 130 GLU H A 130 GLU HGx 1.0 0.0 3.96 2140 1683 A 130 GLU H A 130 GLU HGy 1.0 0.0 3.96 2141 1684 A 131 THR H A 130 GLU HBy 1.0 0.0 3.95 2142 1684 A 131 THR H A 130 GLU HBx 1.0 0.0 3.95 2143 1685 A 131 THR H A 130 GLU HGx 1.0 0.0 5.08 2144 1685 A 131 THR H A 130 GLU HGy 1.0 0.0 5.08 2145 1686 A 133 ILE HD1% A 130 GLU HGx 1.0 0.0 5.24 2146 1686 A 133 ILE HD1% A 130 GLU HGy 1.0 0.0 5.24 2147 1687 A 133 ILE HA A 136 ILE HG1y 1.0 0.0 4.55 2148 1687 A 133 ILE HA A 136 ILE HG1x 1.0 0.0 4.55 2149 1688 A 136 ILE H A 136 ILE HG1y 1.0 0.0 3.73 2150 1688 A 136 ILE H A 136 ILE HG1x 1.0 0.0 3.73 2151 1689 A 136 ILE HA A 137 GLU HGy 1.0 0.0 5.60 2152 1689 A 136 ILE HA A 137 GLU HGx 1.0 0.0 5.60 2153 1690 A 136 ILE HG2% A 136 ILE HG1y 1.0 0.0 3.36 2154 1690 A 136 ILE HG2% A 136 ILE HG1x 1.0 0.0 3.36 2155 1691 A 137 GLU H A 136 ILE HG1y 1.0 0.0 5.04 2156 1691 A 137 GLU H A 136 ILE HG1x 1.0 0.0 5.04 2157 1692 A 137 GLU H A 137 GLU HBx 1.0 0.0 3.57 2158 1692 A 137 GLU H A 137 GLU HBy 1.0 0.0 3.57 2159 1693 A 137 GLU H A 137 GLU HGy 1.0 0.0 4.09 2160 1693 A 137 GLU H A 137 GLU HGx 1.0 0.0 4.09 2161 1694 A 138 GLU H A 137 GLU HBx 1.0 0.0 4.46 2162 1694 A 138 GLU H A 137 GLU HBy 1.0 0.0 4.46 2163 1695 A 138 GLU H A 138 GLU HBy 1.0 0.0 3.72 2164 1695 A 138 GLU H A 138 GLU HBx 1.0 0.0 3.72 2165 1696 A 138 GLU H A 138 GLU HGy 1.0 0.0 4.28 2166 1696 A 138 GLU H A 138 GLU HGx 1.0 0.0 4.28 2167 1697 A 139 ILE H A 138 GLU HBy 1.0 0.0 4.62 2168 1697 A 139 ILE H A 138 GLU HBx 1.0 0.0 4.62 2169 1698 A 139 ILE H A 138 GLU HGy 1.0 0.0 4.89 2170 1698 A 139 ILE H A 138 GLU HGx 1.0 0.0 4.89 2171 1699 A 139 ILE H A 139 ILE HG1y 1.0 0.0 3.80 2172 1699 A 139 ILE H A 139 ILE HG1x 1.0 0.0 3.80 2173 1700 A 139 ILE HG2% A 139 ILE HG1y 1.0 0.0 3.38 2174 1700 A 139 ILE HG2% A 139 ILE HG1x 1.0 0.0 3.38 2175 1701 A 140 LYS H A 139 ILE HG1y 1.0 0.0 5.11 2176 1701 A 140 LYS H A 139 ILE HG1x 1.0 0.0 5.11 2177 1702 A 140 LYS H A 140 LYS HBx 1.0 0.0 3.70 2178 1702 A 140 LYS H A 140 LYS HBy 1.0 0.0 3.70 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 34 GLU H A 30 ALA O 1.0 1.8 2.2 2 2 A 30 ALA O A 34 GLU N 1.0 2.7 3.3 3 3 A 35 LYS H A 31 ASP O 1.0 1.8 2.2 4 4 A 31 ASP O A 35 LYS N 1.0 2.7 3.3 5 5 A 36 THR H A 32 TYR O 1.0 1.8 2.2 6 6 A 32 TYR O A 36 THR N 1.0 2.7 3.3 7 7 A 37 TRP H A 33 PHE O 1.0 1.8 2.2 8 8 A 33 PHE O A 37 TRP N 1.0 2.7 3.3 9 9 A 38 LEU H A 34 GLU O 1.0 1.8 2.2 10 10 A 34 GLU O A 38 LEU N 1.0 2.7 3.3 11 11 A 39 SER H A 35 LYS O 1.0 1.8 2.2 12 12 A 35 LYS O A 39 SER N 1.0 2.7 3.3 13 13 A 40 LEU H A 36 THR O 1.0 1.8 2.4 14 14 A 36 THR O A 40 LEU N 1.0 2.7 3.3 15 15 A 40 LEU H A 37 TRP O 1.0 1.8 2.4 16 16 A 40 LEU N A 37 TRP O 1.0 2.7 3.3 17 17 A 43 ALA H A 112 VAL O 1.0 1.8 2.4 18 18 A 112 VAL O A 43 ALA N 1.0 2.7 3.3 19 19 A 44 HIS H A 112 VAL O 1.0 1.8 2.2 20 20 A 112 VAL O A 44 HIS N 1.0 2.7 3.3 21 21 A 46 GLN H A 110 ILE O 1.0 1.8 2.2 22 22 A 110 ILE O A 46 GLN N 1.0 2.7 3.3 23 23 A 48 LEU H A 108 MET O 1.0 1.8 2.2 24 24 A 108 MET O A 48 LEU N 1.0 2.7 3.3 25 25 A 50 TRP H A 106 SER O 1.0 1.8 2.2 26 26 A 106 SER O A 50 TRP N 1.0 2.7 3.3 27 27 A 59 LEU H A 55 HIS O 1.0 1.8 2.2 28 28 A 55 HIS O A 59 LEU N 1.0 2.7 3.3 29 29 A 61 MET H A 57 ASP O 1.0 1.8 2.2 30 30 A 57 ASP O A 61 MET N 1.0 2.7 3.3 31 31 A 62 ALA H A 58 THR O 1.0 1.8 2.2 32 32 A 58 THR O A 62 ALA N 1.0 2.7 3.3 33 33 A 63 LEU H A 59 LEU O 1.0 1.8 2.2 34 34 A 59 LEU O A 63 LEU N 1.0 2.7 3.3 35 35 A 64 GLN H A 60 GLN O 1.0 1.8 2.2 36 36 A 60 GLN O A 64 GLN N 1.0 2.7 3.3 37 37 A 65 VAL H A 62 ALA O 1.0 1.8 2.4 38 38 A 62 ALA O A 65 VAL N 1.0 2.7 3.3 39 39 A 66 VAL H A 63 LEU O 1.0 1.8 2.4 40 40 A 63 LEU O A 66 VAL N 1.0 2.7 3.3 41 41 A 67 ASN H A 64 GLN O 1.0 1.8 2.2 42 42 A 64 GLN O A 67 ASN N 1.0 2.7 3.3 43 43 A 68 ILE H A 63 LEU O 1.0 1.8 2.2 44 44 A 63 LEU O A 68 ILE N 1.0 2.7 3.3 45 45 A 69 GLN H A 86 SER O 1.0 1.8 2.2 46 46 A 86 SER O A 69 GLN N 1.0 2.7 3.3 47 47 A 71 ILE H A 84 TYR O 1.0 1.8 2.2 48 48 A 84 TYR O A 71 ILE N 1.0 2.7 3.3 49 49 A 72 ALA H A 84 TYR O 1.0 1.8 2.2 50 50 A 84 TYR O A 72 ALA N 1.0 2.7 3.3 51 51 A 74 SER H A 82 LYS O 1.0 1.8 2.2 52 52 A 82 LYS O A 74 SER N 1.0 2.7 3.3 53 53 A 78 SER H A 75 ARG O 1.0 1.8 2.2 54 54 A 75 ARG O A 78 SER N 1.0 2.7 3.3 55 55 A 81 TRP H A 101 LEU O 1.0 1.8 2.2 56 56 A 101 LEU O A 81 TRP N 1.0 2.7 3.3 57 57 A 83 ALA H A 99 LEU O 1.0 1.8 2.2 58 58 A 99 LEU O A 83 ALA N 1.0 2.7 3.3 59 59 A 84 TYR H A 72 ALA O 1.0 1.8 2.2 60 60 A 72 ALA O A 84 TYR N 1.0 2.7 3.3 61 61 A 85 LEU H A 97 THR O 1.0 1.8 2.2 62 62 A 97 THR O A 85 LEU N 1.0 2.7 3.3 63 63 A 86 SER H A 69 GLN O 1.0 1.8 2.2 64 64 A 69 GLN O A 86 SER N 1.0 2.7 3.3 65 65 A 87 ALA H A 95 PHE O 1.0 1.8 2.2 66 66 A 95 PHE O A 87 ALA N 1.0 2.7 3.3 67 67 A 90 ASP H A 21 MET O 1.0 1.8 2.2 68 68 A 21 MET O A 90 ASP N 1.0 2.7 3.3 69 69 A 92 GLY H A 89 ASP O 1.0 1.8 2.2 70 70 A 89 ASP O A 92 GLY N 1.0 2.7 3.3 71 71 A 95 PHE H A 87 ALA O 1.0 1.8 2.2 72 72 A 87 ALA O A 95 PHE N 1.0 2.7 3.3 73 73 A 96 LEU H A 113 LYS O 1.0 1.8 2.2 74 74 A 113 LYS O A 96 LEU N 1.0 2.7 3.3 75 75 A 97 THR H A 85 LEU O 1.0 1.8 2.2 76 76 A 85 LEU O A 97 THR N 1.0 2.7 3.3 77 77 A 98 GLU H A 111 SER O 1.0 1.8 2.2 78 78 A 111 SER O A 98 GLU N 1.0 2.7 3.3 79 79 A 99 LEU H A 83 ALA O 1.0 1.8 2.2 80 80 A 83 ALA O A 99 LEU N 1.0 2.7 3.3 81 81 A 100 LEU H A 109 GLN O 1.0 1.8 2.2 82 82 A 109 GLN O A 100 LEU N 1.0 2.7 3.3 83 83 A 101 LEU H A 81 TRP O 1.0 1.8 2.2 84 84 A 81 TRP O A 101 LEU N 1.0 2.7 3.3 85 85 A 102 GLU H A 107 GLU O 1.0 1.8 2.4 86 86 A 107 GLU O A 102 GLU N 1.0 2.7 3.3 87 87 A 107 GLU H A 105 ASN O 1.0 1.8 2.2 88 88 A 105 ASN O A 107 GLU N 1.0 2.7 3.3 89 89 A 108 MET H A 48 LEU O 1.0 1.8 2.2 90 90 A 48 LEU O A 108 MET N 1.0 2.7 3.3 91 91 A 109 GLN H A 100 LEU O 1.0 1.8 2.2 92 92 A 100 LEU O A 109 GLN N 1.0 2.7 3.3 93 93 A 110 ILE H A 46 GLN O 1.0 1.8 2.2 94 94 A 46 GLN O A 110 ILE N 1.0 2.7 3.3 95 95 A 111 SER H A 98 GLU O 1.0 1.8 2.2 96 96 A 98 GLU O A 111 SER N 1.0 2.7 3.3 97 97 A 112 VAL H A 44 HIS O 1.0 1.8 2.2 98 98 A 44 HIS O A 112 VAL N 1.0 2.7 3.3 99 99 A 113 LYS H A 96 LEU O 1.0 1.8 2.2 100 100 A 96 LEU O A 113 LYS N 1.0 2.7 3.3 101 101 A 115 ASN H A 94 LEU O 1.0 1.8 2.2 102 102 A 94 LEU O A 115 ASN N 1.0 2.7 3.3 103 103 A 118 ARG H A 121 THR OG1 1.0 1.8 2.5 104 104 A 121 THR OG1 A 118 ARG N 1.0 2.7 3.3 105 105 A 122 LEU H A 118 ARG O 1.0 1.8 2.2 106 106 A 118 ARG O A 122 LEU N 1.0 2.7 3.3 107 107 A 123 ASN H A 119 THR O 1.0 1.8 2.2 108 108 A 119 THR O A 123 ASN N 1.0 2.7 3.3 109 109 A 124 SER H A 120 GLU O 1.0 1.8 2.2 110 110 A 120 GLU O A 124 SER N 1.0 2.7 3.3 111 111 A 125 PHE H A 121 THR O 1.0 1.8 2.2 112 112 A 121 THR O A 125 PHE N 1.0 2.7 3.3 113 113 A 126 ILE H A 122 LEU O 1.0 1.8 2.2 114 114 A 122 LEU O A 126 ILE N 1.0 2.7 3.3 115 115 A 127 SER H A 123 ASN O 1.0 1.8 2.2 116 116 A 123 ASN O A 127 SER N 1.0 2.7 3.3 117 117 A 128 VAL H A 124 SER O 1.0 1.8 2.2 118 118 A 124 SER O A 128 VAL N 1.0 2.7 3.3 119 119 A 129 LEU H A 125 PHE O 1.0 1.8 2.2 120 120 A 125 PHE O A 129 LEU N 1.0 2.7 3.3 121 121 A 130 GLU H A 126 ILE O 1.0 1.8 2.2 122 122 A 126 ILE O A 130 GLU N 1.0 2.7 3.3 123 123 A 131 THR H A 127 SER O 1.0 1.8 2.2 124 124 A 127 SER O A 131 THR N 1.0 2.7 3.3 125 125 A 132 VAL H A 128 VAL O 1.0 1.8 2.2 126 126 A 128 VAL O A 132 VAL N 1.0 2.7 3.3 127 127 A 133 ILE H A 129 LEU O 1.0 1.8 2.2 128 128 A 129 LEU O A 133 ILE N 1.0 2.7 3.3 129 129 A 134 GLY H A 130 GLU O 1.0 1.8 2.2 130 130 A 130 GLU O A 134 GLY N 1.0 2.7 3.3 131 131 A 135 THR H A 131 THR O 1.0 1.8 2.2 132 132 A 131 THR O A 135 THR N 1.0 2.7 3.3 133 133 A 136 ILE H A 133 ILE O 1.0 1.8 2.4 134 134 A 133 ILE O A 136 ILE N 1.0 2.7 3.3 135 135 A 137 GLU H A 134 GLY O 1.0 1.8 2.4 136 136 A 134 GLY O A 137 GLU N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 19 ALA C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -110.1 -69.3 PHI 2 2 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 MET N 1.0 102.4 144.0 PSI 3 3 A 20 LEU C A 21 MET N A 21 MET CA A 21 MET C 1.0 -118.6 -79.8 PHI 4 4 A 21 MET N A 21 MET CA A 21 MET C A 22 LEU N 1.0 102.5 137.9 PSI 5 5 A 21 MET C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -105.3 -77.1 PHI 6 6 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 VAL N 1.0 108.7 135.9 PSI 7 7 A 22 LEU C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -144.8 -72.8 PHI 8 8 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 PRO N 1.0 104.6 177.6 PSI 9 9 A 25 ASN C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -101.3 -51.9 PHI 10 10 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 GLN N 1.0 114.2 170.4 PSI 11 11 A 26 ARG C A 27 GLN N A 27 GLN CA A 27 GLN C 1.0 -96.7 -48.3 PHI 12 12 A 27 GLN N A 27 GLN CA A 27 GLN C A 28 LEU N 1.0 100.9 156.5 PSI 13 13 A 27 GLN C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -124.7 -46.9 PHI 14 14 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 THR N 1.0 123.3 170.9 PSI 15 15 A 28 LEU C A 29 THR N A 29 THR CA A 29 THR C 1.0 -104.5 -65.3 PHI 16 16 A 29 THR N A 29 THR CA A 29 THR C A 30 ALA N 1.0 155.5 175.5 PSI 17 17 A 29 THR C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -67.4 -47.4 PHI 18 18 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 ASP N 1.0 -49.4 -29.4 PSI 19 19 A 30 ALA C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -76.6 -56.6 PHI 20 20 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 TYR N 1.0 -50.1 -30.1 PSI 21 21 A 31 ASP C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -77.1 -57.1 PHI 22 22 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 PHE N 1.0 -52.2 -32.2 PSI 23 23 A 32 TYR C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -71.8 -51.8 PHI 24 24 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 GLU N 1.0 -54.1 -34.1 PSI 25 25 A 33 PHE C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -70.3 -50.3 PHI 26 26 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 LYS N 1.0 -54.3 -34.3 PSI 27 27 A 34 GLU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -74.9 -54.9 PHI 28 28 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 THR N 1.0 -50.9 -30.9 PSI 29 29 A 35 LYS C A 36 THR N A 36 THR CA A 36 THR C 1.0 -77.2 -55.8 PHI 30 30 A 36 THR N A 36 THR CA A 36 THR C A 37 TRP N 1.0 -53.6 -30.6 PSI 31 31 A 36 THR C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -69.3 -49.3 PHI 32 32 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 LEU N 1.0 -51.8 -30.8 PSI 33 33 A 37 TRP C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -91.5 -59.5 PHI 34 34 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 SER N 1.0 -36.7 -0.9 PSI 35 35 A 38 LEU C A 39 SER N A 39 SER CA A 39 SER C 1.0 -108.8 -72.8 PHI 36 36 A 39 SER N A 39 SER CA A 39 SER C A 40 LEU N 1.0 -24.5 11.5 PSI 37 37 A 39 SER C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -144.5 -83.3 PHI 38 38 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 LYS N 1.0 117.4 164.0 PSI 39 39 A 40 LEU C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -141.1 -62.9 PHI 40 40 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 VAL N 1.0 102.3 150.9 PSI 41 41 A 41 LYS C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -88.3 -55.5 PHI 42 42 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 113.0 143.4 PSI 43 43 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -116.1 -86.1 PHI 44 44 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 HIS N 1.0 -60.3 -5.5 PSI 45 45 A 43 ALA C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -172.9 -135.9 PHI 46 46 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 GLN N 1.0 135.4 155.4 PSI 47 47 A 44 HIS C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -156.0 -120.0 PHI 48 48 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 GLN N 1.0 121.1 155.1 PSI 49 49 A 45 GLN C A 46 GLN N A 46 GLN CA A 46 GLN C 1.0 -173.1 -119.7 PHI 50 50 A 46 GLN N A 46 GLN CA A 46 GLN C A 47 VAL N 1.0 129.1 168.5 PSI 51 51 A 46 GLN C A 47 VAL N A 47 VAL CA A 47 VAL C 1.0 -132.6 -96.0 PHI 52 52 A 47 VAL N A 47 VAL CA A 47 VAL C A 48 LEU N 1.0 116.9 143.7 PSI 53 53 A 47 VAL C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -141.5 -107.7 PHI 54 54 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 PRO N 1.0 96.7 164.3 PSI 55 55 A 49 PRO C A 50 TRP N A 50 TRP CA A 50 TRP C 1.0 -137.8 -29.2 PHI 56 56 A 50 TRP N A 50 TRP CA A 50 TRP C A 51 ARG N 1.0 111.4 153.8 PSI 57 57 A 50 TRP C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -136.6 -55.8 PHI 58 58 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 GLY N 1.0 104.7 166.9 PSI 59 59 A 53 GLU C A 54 PHE N A 54 PHE CA A 54 PHE C 1.0 -115.7 -51.7 PHI 60 60 A 54 PHE N A 54 PHE CA A 54 PHE C A 55 HIS N 1.0 112.3 146.3 PSI 61 61 A 54 PHE C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -150.4 -40.2 PHI 62 62 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 PRO N 1.0 72.7 165.3 PSI 63 63 A 56 PRO C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -75.2 -55.2 PHI 64 64 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 THR N 1.0 -48.5 -25.7 PSI 65 65 A 57 ASP C A 58 THR N A 58 THR CA A 58 THR C 1.0 -79.0 -59.0 PHI 66 66 A 58 THR N A 58 THR CA A 58 THR C A 59 LEU N 1.0 -48.5 -28.5 PSI 67 67 A 58 THR C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -76.6 -56.6 PHI 68 68 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 GLN N 1.0 -52.2 -32.2 PSI 69 69 A 59 LEU C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -70.8 -50.8 PHI 70 70 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 MET N 1.0 -52.7 -32.7 PSI 71 71 A 60 GLN C A 61 MET N A 61 MET CA A 61 MET C 1.0 -74.5 -54.5 PHI 72 72 A 61 MET N A 61 MET CA A 61 MET C A 62 ALA N 1.0 -51.2 -31.2 PSI 73 73 A 61 MET C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -76.4 -56.4 PHI 74 74 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 LEU N 1.0 -51.0 -31.0 PSI 75 75 A 62 ALA C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -75.9 -55.9 PHI 76 76 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLN N 1.0 -49.8 -29.2 PSI 77 77 A 63 LEU C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -75.2 -55.2 PHI 78 78 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 VAL N 1.0 -51.5 -24.7 PSI 79 79 A 64 GLN C A 65 VAL N A 65 VAL CA A 65 VAL C 1.0 -73.9 -53.9 PHI 80 80 A 65 VAL N A 65 VAL CA A 65 VAL C A 66 VAL N 1.0 -45.4 -18.2 PSI 81 81 A 65 VAL C A 66 VAL N A 66 VAL CA A 66 VAL C 1.0 -119.2 -91.4 PHI 82 82 A 66 VAL N A 66 VAL CA A 66 VAL C A 67 ASN N 1.0 -1.7 26.1 PSI 83 83 A 66 VAL C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 43.7 67.5 PHI 84 84 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 ILE N 1.0 28.3 55.9 PSI 85 85 A 67 ASN C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -127.8 -56.6 PHI 86 86 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 GLN N 1.0 106.2 159.4 PSI 87 87 A 68 ILE C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -124.5 -63.9 PHI 88 88 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 THR N 1.0 91.5 151.1 PSI 89 89 A 69 GLN C A 70 THR N A 70 THR CA A 70 THR C 1.0 -100.6 -63.2 PHI 90 90 A 70 THR N A 70 THR CA A 70 THR C A 71 ILE N 1.0 94.8 140.2 PSI 91 91 A 70 THR C A 71 ILE N A 71 ILE CA A 71 ILE C 1.0 -109.0 -66.0 PHI 92 92 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 ALA N 1.0 -58.7 -17.3 PSI 93 93 A 71 ILE C A 72 ALA N A 72 ALA CA A 72 ALA C 1.0 -180.7 -137.1 PHI 94 94 A 72 ALA N A 72 ALA CA A 72 ALA C A 73 MET N 1.0 130.4 175.0 PSI 95 95 A 72 ALA C A 73 MET N A 73 MET CA A 73 MET C 1.0 -154.9 -104.7 PHI 96 96 A 73 MET N A 73 MET CA A 73 MET C A 74 SER N 1.0 102.7 149.5 PSI 97 97 A 73 MET C A 74 SER N A 74 SER CA A 74 SER C 1.0 -96.4 -48.4 PHI 98 98 A 74 SER N A 74 SER CA A 74 SER C A 75 ARG N 1.0 112.0 179.2 PSI 99 99 A 74 SER C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -96.3 -46.3 PHI 100 100 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 ALA N 1.0 124.1 168.1 PSI 101 101 A 75 ARG C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -67.4 -46.2 PHI 102 102 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 GLY N 1.0 121.3 144.3 PSI 103 103 A 76 ALA C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 78.5 102.5 PHI 104 104 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 SER N 1.0 -20.2 11.2 PSI 105 105 A 77 GLY C A 78 SER N A 78 SER CA A 78 SER C 1.0 -88.6 -52.2 PHI 106 106 A 78 SER N A 78 SER CA A 78 SER C A 79 ARG N 1.0 120.0 168.6 PSI 107 107 A 78 SER C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -161.0 -47.6 PHI 108 108 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 PRO N 1.0 103.3 172.9 PSI 109 109 A 80 PRO C A 81 TRP N A 81 TRP CA A 81 TRP C 1.0 -130.5 -48.1 PHI 110 110 A 81 TRP N A 81 TRP CA A 81 TRP C A 82 LYS N 1.0 106.9 152.7 PSI 111 111 A 81 TRP C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -152.0 -111.6 PHI 112 112 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ALA N 1.0 130.9 168.5 PSI 113 113 A 82 LYS C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -164.0 -130.8 PHI 114 114 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 TYR N 1.0 134.8 170.6 PSI 115 115 A 83 ALA C A 84 TYR N A 84 TYR CA A 84 TYR C 1.0 -143.4 -85.4 PHI 116 116 A 84 TYR N A 84 TYR CA A 84 TYR C A 85 LEU N 1.0 111.9 157.7 PSI 117 117 A 84 TYR C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -135.4 -98.0 PHI 118 118 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 SER N 1.0 122.9 150.7 PSI 119 119 A 85 LEU C A 86 SER N A 86 SER CA A 86 SER C 1.0 -162.1 -110.5 PHI 120 120 A 86 SER N A 86 SER CA A 86 SER C A 87 ALA N 1.0 132.8 168.4 PSI 121 121 A 86 SER C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -163.3 -126.7 PHI 122 122 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 GLN N 1.0 133.6 168.2 PSI 123 123 A 87 ALA C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -152.3 -103.3 PHI 124 124 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 ASP N 1.0 116.7 164.9 PSI 125 125 A 88 GLN C A 89 ASP N A 89 ASP CA A 89 ASP C 1.0 -127.8 -67.2 PHI 126 126 A 89 ASP N A 89 ASP CA A 89 ASP C A 90 ASP N 1.0 155.0 189.4 PSI 127 127 A 89 ASP C A 90 ASP N A 90 ASP CA A 90 ASP C 1.0 -79.1 -55.9 PHI 128 128 A 90 ASP N A 90 ASP CA A 90 ASP C A 91 THR N 1.0 -27.7 -0.1 PSI 129 129 A 90 ASP C A 91 THR N A 91 THR CA A 91 THR C 1.0 -115.1 -72.9 PHI 130 130 A 91 THR N A 91 THR CA A 91 THR C A 92 GLY N 1.0 -19.1 19.5 PSI 131 131 A 91 THR C A 92 GLY N A 92 GLY CA A 92 GLY C 1.0 75.7 98.5 PHI 132 132 A 92 GLY N A 92 GLY CA A 92 GLY C A 93 CYS N 1.0 -13.3 19.7 PSI 133 133 A 92 GLY C A 93 CYS N A 93 CYS CA A 93 CYS C 1.0 -84.9 -54.9 PHI 134 134 A 93 CYS N A 93 CYS CA A 93 CYS C A 94 LEU N 1.0 124.1 155.3 PSI 135 135 A 93 CYS C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -135.9 -82.7 PHI 136 136 A 94 LEU N A 94 LEU CA A 94 LEU C A 95 PHE N 1.0 113.6 147.4 PSI 137 137 A 94 LEU C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -131.3 -88.3 PHI 138 138 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 LEU N 1.0 105.7 146.5 PSI 139 139 A 95 PHE C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -130.7 -95.7 PHI 140 140 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 THR N 1.0 111.3 148.1 PSI 141 141 A 96 LEU C A 97 THR N A 97 THR CA A 97 THR C 1.0 -144.2 -107.6 PHI 142 142 A 97 THR N A 97 THR CA A 97 THR C A 98 GLU N 1.0 123.1 149.5 PSI 143 143 A 97 THR C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -140.9 -103.1 PHI 144 144 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 LEU N 1.0 117.6 141.8 PSI 145 145 A 98 GLU C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -124.7 -102.9 PHI 146 146 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 LEU N 1.0 113.0 140.0 PSI 147 147 A 99 LEU C A 100 LEU N A 100 LEU CA A 100 LEU C 1.0 -134.0 -109.6 PHI 148 148 A 100 LEU N A 100 LEU CA A 100 LEU C A 101 LEU N 1.0 107.6 139.6 PSI 149 149 A 100 LEU C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -131.0 -95.0 PHI 150 150 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 GLU N 1.0 112.0 139.6 PSI 151 151 A 101 LEU C A 102 GLU N A 102 GLU CA A 102 GLU C 1.0 -94.5 -56.3 PHI 152 152 A 102 GLU N A 102 GLU CA A 102 GLU C A 103 PRO N 1.0 135.3 175.5 PSI 153 153 A 106 SER C A 107 GLU N A 107 GLU CA A 107 GLU C 1.0 -162.2 -111.6 PHI 154 154 A 107 GLU N A 107 GLU CA A 107 GLU C A 108 MET N 1.0 117.7 157.9 PSI 155 155 A 107 GLU C A 108 MET N A 108 MET CA A 108 MET C 1.0 -145.1 -108.7 PHI 156 156 A 108 MET N A 108 MET CA A 108 MET C A 109 GLN N 1.0 118.7 143.3 PSI 157 157 A 108 MET C A 109 GLN N A 109 GLN CA A 109 GLN C 1.0 -121.1 -88.1 PHI 158 158 A 109 GLN N A 109 GLN CA A 109 GLN C A 110 ILE N 1.0 113.2 139.6 PSI 159 159 A 109 GLN C A 110 ILE N A 110 ILE CA A 110 ILE C 1.0 -132.1 -101.7 PHI 160 160 A 110 ILE N A 110 ILE CA A 110 ILE C A 111 SER N 1.0 117.5 144.1 PSI 161 161 A 110 ILE C A 111 SER N A 111 SER CA A 111 SER C 1.0 -143.6 -102.8 PHI 162 162 A 111 SER N A 111 SER CA A 111 SER C A 112 VAL N 1.0 108.7 144.9 PSI 163 163 A 111 SER C A 112 VAL N A 112 VAL CA A 112 VAL C 1.0 -134.4 -102.6 PHI 164 164 A 112 VAL N A 112 VAL CA A 112 VAL C A 113 LYS N 1.0 121.7 147.9 PSI 165 165 A 112 VAL C A 113 LYS N A 113 LYS CA A 113 LYS C 1.0 -144.3 -108.9 PHI 166 166 A 113 LYS N A 113 LYS CA A 113 LYS C A 114 GLN N 1.0 111.2 167.4 PSI 167 167 A 113 LYS C A 114 GLN N A 114 GLN CA A 114 GLN C 1.0 -152.7 -103.3 PHI 168 168 A 114 GLN N A 114 GLN CA A 114 GLN C A 115 ASN N 1.0 123.5 168.7 PSI 169 169 A 115 ASN C A 116 GLU N A 116 GLU CA A 116 GLU C 1.0 -165.4 -49.0 PHI 170 170 A 116 GLU N A 116 GLU CA A 116 GLU C A 117 ALA N 1.0 109.8 168.6 PSI 171 171 A 116 GLU C A 117 ALA N A 117 ALA CA A 117 ALA C 1.0 -84.4 -46.6 PHI 172 172 A 117 ALA N A 117 ALA CA A 117 ALA C A 118 ARG N 1.0 118.8 147.4 PSI 173 173 A 117 ALA C A 118 ARG N A 118 ARG CA A 118 ARG C 1.0 -108.0 -52.4 PHI 174 174 A 118 ARG N A 118 ARG CA A 118 ARG C A 119 THR N 1.0 91.4 153.2 PSI 175 175 A 118 ARG C A 119 THR N A 119 THR CA A 119 THR C 1.0 -71.1 -50.1 PHI 176 176 A 119 THR N A 119 THR CA A 119 THR C A 120 GLU N 1.0 -51.6 -21.8 PSI 177 177 A 119 THR C A 120 GLU N A 120 GLU CA A 120 GLU C 1.0 -76.0 -53.4 PHI 178 178 A 120 GLU N A 120 GLU CA A 120 GLU C A 121 THR N 1.0 -51.8 -23.4 PSI 179 179 A 120 GLU C A 121 THR N A 121 THR CA A 121 THR C 1.0 -80.1 -60.1 PHI 180 180 A 121 THR N A 121 THR CA A 121 THR C A 122 LEU N 1.0 -48.3 -26.9 PSI 181 181 A 121 THR C A 122 LEU N A 122 LEU CA A 122 LEU C 1.0 -76.7 -56.7 PHI 182 182 A 122 LEU N A 122 LEU CA A 122 LEU C A 123 ASN N 1.0 -54.3 -34.3 PSI 183 183 A 122 LEU C A 123 ASN N A 123 ASN CA A 123 ASN C 1.0 -75.2 -55.2 PHI 184 184 A 123 ASN N A 123 ASN CA A 123 ASN C A 124 SER N 1.0 -48.2 -28.2 PSI 185 185 A 123 ASN C A 124 SER N A 124 SER CA A 124 SER C 1.0 -76.3 -56.3 PHI 186 186 A 124 SER N A 124 SER CA A 124 SER C A 125 PHE N 1.0 -49.6 -29.6 PSI 187 187 A 124 SER C A 125 PHE N A 125 PHE CA A 125 PHE C 1.0 -73.7 -53.7 PHI 188 188 A 125 PHE N A 125 PHE CA A 125 PHE C A 126 ILE N 1.0 -55.4 -35.4 PSI 189 189 A 125 PHE C A 126 ILE N A 126 ILE CA A 126 ILE C 1.0 -73.2 -53.2 PHI 190 190 A 126 ILE N A 126 ILE CA A 126 ILE C A 127 SER N 1.0 -48.7 -28.7 PSI 191 191 A 126 ILE C A 127 SER N A 127 SER CA A 127 SER C 1.0 -74.9 -54.9 PHI 192 192 A 127 SER N A 127 SER CA A 127 SER C A 128 VAL N 1.0 -47.7 -27.7 PSI 193 193 A 127 SER C A 128 VAL N A 128 VAL CA A 128 VAL C 1.0 -74.4 -54.4 PHI 194 194 A 128 VAL N A 128 VAL CA A 128 VAL C A 129 LEU N 1.0 -55.1 -35.1 PSI 195 195 A 128 VAL C A 129 LEU N A 129 LEU CA A 129 LEU C 1.0 -73.0 -53.0 PHI 196 196 A 129 LEU N A 129 LEU CA A 129 LEU C A 130 GLU N 1.0 -52.8 -32.8 PSI 197 197 A 129 LEU C A 130 GLU N A 130 GLU CA A 130 GLU C 1.0 -73.3 -53.3 PHI 198 198 A 130 GLU N A 130 GLU CA A 130 GLU C A 131 THR N 1.0 -50.3 -30.3 PSI 199 199 A 130 GLU C A 131 THR N A 131 THR CA A 131 THR C 1.0 -75.8 -55.8 PHI 200 200 A 131 THR N A 131 THR CA A 131 THR C A 132 VAL N 1.0 -52.6 -32.6 PSI 201 201 A 131 THR C A 132 VAL N A 132 VAL CA A 132 VAL C 1.0 -75.5 -55.5 PHI 202 202 A 132 VAL N A 132 VAL CA A 132 VAL C A 133 ILE N 1.0 -53.7 -33.7 PSI 203 203 A 132 VAL C A 133 ILE N A 133 ILE CA A 133 ILE C 1.0 -74.5 -54.5 PHI 204 204 A 133 ILE N A 133 ILE CA A 133 ILE C A 134 GLY N 1.0 -51.6 -28.6 PSI 205 205 A 133 ILE C A 134 GLY N A 134 GLY CA A 134 GLY C 1.0 -75.1 -55.1 PHI 206 206 A 134 GLY N A 134 GLY CA A 134 GLY C A 135 THR N 1.0 -53.0 -16.0 PSI 207 207 A 134 GLY C A 135 THR N A 135 THR CA A 135 THR C 1.0 -81.7 -58.7 PHI 208 208 A 135 THR N A 135 THR CA A 135 THR C A 136 ILE N 1.0 -43.9 -8.9 PSI 209 209 A 20 LEU N A 20 LEU CA A 20 LEU CB A 20 LEU CG 1.0 150.0 210.0 CHI1 210 210 A 22 LEU N A 22 LEU CA A 22 LEU CB A 22 LEU CG 1.0 -90.0 -30.0 CHI1 211 211 A 26 ARG N A 26 ARG CA A 26 ARG CB A 26 ARG CG 1.0 -90.0 -30.0 CHI1 212 212 A 28 LEU N A 28 LEU CA A 28 LEU CB A 28 LEU CG 1.0 -90.0 -30.0 CHI1 213 213 A 29 THR N A 29 THR CA A 29 THR CB A 29 THR OG1 1.0 30.0 90.0 CHI1 214 214 A 31 ASP N A 31 ASP CA A 31 ASP CB A 31 ASP CG 1.0 -90.0 -30.0 CHI1 215 215 A 32 TYR N A 32 TYR CA A 32 TYR CB A 32 TYR CG 1.0 150.0 210.0 CHI1 216 216 A 33 PHE N A 33 PHE CA A 33 PHE CB A 33 PHE CG 1.0 150.0 210.0 CHI1 217 217 A 36 THR N A 36 THR CA A 36 THR CB A 36 THR OG1 1.0 -90.0 -30.0 CHI1 218 218 A 37 TRP N A 37 TRP CA A 37 TRP CB A 37 TRP CG 1.0 150.0 210.0 CHI1 219 219 A 38 LEU N A 38 LEU CA A 38 LEU CB A 38 LEU CG 1.0 -90.0 -30.0 CHI1 220 220 A 42 VAL N A 42 VAL CA A 42 VAL CB A 42 VAL CG1 1.0 150.0 210.0 CHI1 221 221 A 47 VAL N A 47 VAL CA A 47 VAL CB A 47 VAL CG1 1.0 150.0 210.0 CHI1 222 222 A 48 LEU N A 48 LEU CA A 48 LEU CB A 48 LEU CG 1.0 -90.0 -30.0 CHI1 223 223 A 57 ASP N A 57 ASP CA A 57 ASP CB A 57 ASP CG 1.0 -90.0 -30.0 CHI1 224 224 A 58 THR N A 58 THR CA A 58 THR CB A 58 THR OG1 1.0 -90.0 -30.0 CHI1 225 225 A 63 LEU N A 63 LEU CA A 63 LEU CB A 63 LEU CG 1.0 -90.0 -30.0 CHI1 226 226 A 65 VAL N A 65 VAL CA A 65 VAL CB A 65 VAL CG1 1.0 150.0 210.0 CHI1 227 227 A 66 VAL N A 66 VAL CA A 66 VAL CB A 66 VAL CG1 1.0 -90.0 -30.0 CHI1 228 228 A 68 ILE N A 68 ILE CA A 68 ILE CB A 68 ILE CG1 1.0 -90.0 -30.0 CHI1 229 229 A 70 THR N A 70 THR CA A 70 THR CB A 70 THR OG1 1.0 -90.0 -30.0 CHI1 230 230 A 71 ILE N A 71 ILE CA A 71 ILE CB A 71 ILE CG1 1.0 -90.0 -30.0 CHI1 231 231 A 73 MET N A 73 MET CA A 73 MET CB A 73 MET CG 1.0 150.0 210.0 CHI1 232 232 A 79 ARG N A 79 ARG CA A 79 ARG CB A 79 ARG CG 1.0 -90.0 -30.0 CHI1 233 233 A 84 TYR N A 84 TYR CA A 84 TYR CB A 84 TYR CG 1.0 -90.0 -30.0 CHI1 234 234 A 85 LEU N A 85 LEU CA A 85 LEU CB A 85 LEU CG 1.0 -90.0 -30.0 CHI1 235 235 A 89 ASP N A 89 ASP CA A 89 ASP CB A 89 ASP CG 1.0 30.0 90.0 CHI1 236 236 A 91 THR N A 91 THR CA A 91 THR CB A 91 THR OG1 1.0 30.0 90.0 CHI1 237 237 A 95 PHE N A 95 PHE CA A 95 PHE CB A 95 PHE CG 1.0 -90.0 -30.0 CHI1 238 238 A 97 THR N A 97 THR CA A 97 THR CB A 97 THR OG1 1.0 -90.0 -30.0 CHI1 239 239 A 99 LEU N A 99 LEU CA A 99 LEU CB A 99 LEU CG 1.0 -90.0 -30.0 CHI1 240 240 A 100 LEU N A 100 LEU CA A 100 LEU CB A 100 LEU CG 1.0 150.0 210.0 CHI1 241 241 A 101 LEU N A 101 LEU CA A 101 LEU CB A 101 LEU CG 1.0 150.0 210.0 CHI1 242 242 A 102 GLU N A 102 GLU CA A 102 GLU CB A 102 GLU CG 1.0 -90.0 -30.0 CHI1 243 243 A 110 ILE N A 110 ILE CA A 110 ILE CB A 110 ILE CG1 1.0 -90.0 -30.0 CHI1 244 244 A 112 VAL N A 112 VAL CA A 112 VAL CB A 112 VAL CG1 1.0 150.0 210.0 CHI1 245 245 A 123 ASN N A 123 ASN CA A 123 ASN CB A 123 ASN CG 1.0 -90.0 -30.0 CHI1 246 246 A 125 PHE N A 125 PHE CA A 125 PHE CB A 125 PHE CG 1.0 150.0 210.0 CHI1 247 247 A 126 ILE N A 126 ILE CA A 126 ILE CB A 126 ILE CG1 1.0 -90.0 -30.0 CHI1 248 248 A 128 VAL N A 128 VAL CA A 128 VAL CB A 128 VAL CG1 1.0 150.0 210.0 CHI1 249 249 A 130 GLU N A 130 GLU CA A 130 GLU CB A 130 GLU CG 1.0 -90.0 -30.0 CHI1 250 250 A 131 THR N A 131 THR CA A 131 THR CB A 131 THR OG1 1.0 -90.0 -30.0 CHI1 251 251 A 132 VAL N A 132 VAL CA A 132 VAL CB A 132 VAL CG1 1.0 150.0 210.0 CHI1 252 252 A 133 ILE N A 133 ILE CA A 133 ILE CB A 133 ILE CG1 1.0 -90.0 -30.0 CHI1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 22 LEU N A 22 LEU H 1.0 . . . 2 2 A 29 THR N A 29 THR H 1.0 . . . 3 3 A 30 ALA N A 30 ALA H 1.0 . . . 4 4 A 31 ASP N A 31 ASP H 1.0 . . . 5 5 A 32 TYR N A 32 TYR H 1.0 . . . 6 6 A 33 PHE N A 33 PHE H 1.0 . . . 7 7 A 37 TRP N A 37 TRP H 1.0 . . . 8 8 A 38 LEU N A 38 LEU H 1.0 . . . 9 9 A 39 SER N A 39 SER H 1.0 . . . 10 10 A 40 LEU N A 40 LEU H 1.0 . . . 11 11 A 41 LYS N A 41 LYS H 1.0 . . . 12 12 A 43 ALA N A 43 ALA H 1.0 . . . 13 13 A 44 HIS N A 44 HIS H 1.0 . . . 14 14 A 57 ASP N A 57 ASP H 1.0 . . . 15 15 A 58 THR N A 58 THR H 1.0 . . . 16 16 A 59 LEU N A 59 LEU H 1.0 . . . 17 17 A 61 MET N A 61 MET H 1.0 . . . 18 18 A 62 ALA N A 62 ALA H 1.0 . . . 19 19 A 65 VAL N A 65 VAL H 1.0 . . . 20 20 A 66 VAL N A 66 VAL H 1.0 . . . 21 21 A 67 ASN N A 67 ASN H 1.0 . . . 22 22 A 70 THR N A 70 THR H 1.0 . . . 23 23 A 71 ILE N A 71 ILE H 1.0 . . . 24 24 A 72 ALA N A 72 ALA H 1.0 . . . 25 25 A 75 ARG N A 75 ARG H 1.0 . . . 26 26 A 76 ALA N A 76 ALA H 1.0 . . . 27 27 A 77 GLY N A 77 GLY H 1.0 . . . 28 28 A 78 SER N A 78 SER H 1.0 . . . 29 29 A 82 LYS N A 82 LYS H 1.0 . . . 30 30 A 83 ALA N A 83 ALA H 1.0 . . . 31 31 A 85 LEU N A 85 LEU H 1.0 . . . 32 32 A 86 SER N A 86 SER H 1.0 . . . 33 33 A 87 ALA N A 87 ALA H 1.0 . . . 34 34 A 88 GLN N A 88 GLN H 1.0 . . . 35 35 A 91 THR N A 91 THR H 1.0 . . . 36 36 A 92 GLY N A 92 GLY H 1.0 . . . 37 37 A 94 LEU N A 94 LEU H 1.0 . . . 38 38 A 96 LEU N A 96 LEU H 1.0 . . . 39 39 A 97 THR N A 97 THR H 1.0 . . . 40 40 A 98 GLU N A 98 GLU H 1.0 . . . 41 41 A 101 LEU N A 101 LEU H 1.0 . . . 42 42 A 107 GLU N A 107 GLU H 1.0 . . . 43 43 A 108 MET N A 108 MET H 1.0 . . . 44 44 A 109 GLN N A 109 GLN H 1.0 . . . 45 45 A 110 ILE N A 110 ILE H 1.0 . . . 46 46 A 111 SER N A 111 SER H 1.0 . . . 47 47 A 112 VAL N A 112 VAL H 1.0 . . . 48 48 A 113 LYS N A 113 LYS H 1.0 . . . 49 49 A 114 GLN N A 114 GLN H 1.0 . . . 50 50 A 120 GLU N A 120 GLU H 1.0 . . . 51 51 A 121 THR N A 121 THR H 1.0 . . . 52 52 A 122 LEU N A 122 LEU H 1.0 . . . 53 53 A 123 ASN N A 123 ASN H 1.0 . . . 54 54 A 124 SER N A 124 SER H 1.0 . . . 55 55 A 127 SER N A 127 SER H 1.0 . . . 56 56 A 129 LEU N A 129 LEU H 1.0 . . . 57 57 A 133 ILE N A 133 ILE H 1.0 . . . 58 58 A 134 GLY N A 134 GLY H 1.0 . . . 59 59 A 136 ILE N A 136 ILE H 1.0 . . . 60 60 A 22 LEU N A 22 LEU H 1.0 . . . 61 61 A 29 THR N A 29 THR H 1.0 . . . 62 62 A 30 ALA N A 30 ALA H 1.0 . . . 63 63 A 31 ASP N A 31 ASP H 1.0 . . . 64 64 A 32 TYR N A 32 TYR H 1.0 . . . 65 65 A 33 PHE N A 33 PHE H 1.0 . . . 66 66 A 34 GLU N A 34 GLU H 1.0 . . . 67 67 A 37 TRP N A 37 TRP H 1.0 . . . 68 68 A 38 LEU N A 38 LEU H 1.0 . . . 69 69 A 39 SER N A 39 SER H 1.0 . . . 70 70 A 40 LEU N A 40 LEU H 1.0 . . . 71 71 A 43 ALA N A 43 ALA H 1.0 . . . 72 72 A 44 HIS N A 44 HIS H 1.0 . . . 73 73 A 45 GLN N A 45 GLN H 1.0 . . . 74 74 A 46 GLN N A 46 GLN H 1.0 . . . 75 75 A 48 LEU N A 48 LEU H 1.0 . . . 76 76 A 57 ASP N A 57 ASP H 1.0 . . . 77 77 A 58 THR N A 58 THR H 1.0 . . . 78 78 A 61 MET N A 61 MET H 1.0 . . . 79 79 A 62 ALA N A 62 ALA H 1.0 . . . 80 80 A 64 GLN N A 64 GLN H 1.0 . . . 81 81 A 65 VAL N A 65 VAL H 1.0 . . . 82 82 A 66 VAL N A 66 VAL H 1.0 . . . 83 83 A 67 ASN N A 67 ASN H 1.0 . . . 84 84 A 68 ILE N A 68 ILE H 1.0 . . . 85 85 A 70 THR N A 70 THR H 1.0 . . . 86 86 A 71 ILE N A 71 ILE H 1.0 . . . 87 87 A 74 SER N A 74 SER H 1.0 . . . 88 88 A 75 ARG N A 75 ARG H 1.0 . . . 89 89 A 76 ALA N A 76 ALA H 1.0 . . . 90 90 A 77 GLY N A 77 GLY H 1.0 . . . 91 91 A 78 SER N A 78 SER H 1.0 . . . 92 92 A 82 LYS N A 82 LYS H 1.0 . . . 93 93 A 83 ALA N A 83 ALA H 1.0 . . . 94 94 A 84 TYR N A 84 TYR H 1.0 . . . 95 95 A 85 LEU N A 85 LEU H 1.0 . . . 96 96 A 86 SER N A 86 SER H 1.0 . . . 97 97 A 87 ALA N A 87 ALA H 1.0 . . . 98 98 A 88 GLN N A 88 GLN H 1.0 . . . 99 99 A 89 ASP N A 89 ASP H 1.0 . . . 100 100 A 91 THR N A 91 THR H 1.0 . . . 101 101 A 92 GLY N A 92 GLY H 1.0 . . . 102 102 A 94 LEU N A 94 LEU H 1.0 . . . 103 103 A 95 PHE N A 95 PHE H 1.0 . . . 104 104 A 96 LEU N A 96 LEU H 1.0 . . . 105 105 A 97 THR N A 97 THR H 1.0 . . . 106 106 A 98 GLU N A 98 GLU H 1.0 . . . 107 107 A 100 LEU N A 100 LEU H 1.0 . . . 108 108 A 101 LEU N A 101 LEU H 1.0 . . . 109 109 A 107 GLU N A 107 GLU H 1.0 . . . 110 110 A 108 MET N A 108 MET H 1.0 . . . 111 111 A 109 GLN N A 109 GLN H 1.0 . . . 112 112 A 110 ILE N A 110 ILE H 1.0 . . . 113 113 A 111 SER N A 111 SER H 1.0 . . . 114 114 A 113 LYS N A 113 LYS H 1.0 . . . 115 115 A 115 ASN N A 115 ASN H 1.0 . . . 116 116 A 117 ALA N A 117 ALA H 1.0 . . . 117 117 A 119 THR N A 119 THR H 1.0 . . . 118 118 A 120 GLU N A 120 GLU H 1.0 . . . 119 119 A 121 THR N A 121 THR H 1.0 . . . 120 120 A 122 LEU N A 122 LEU H 1.0 . . . 121 121 A 123 ASN N A 123 ASN H 1.0 . . . 122 122 A 127 SER N A 127 SER H 1.0 . . . 123 123 A 128 VAL N A 128 VAL H 1.0 . . . 124 124 A 129 LEU N A 129 LEU H 1.0 . . . 125 125 A 130 GLU N A 130 GLU H 1.0 . . . 126 126 A 131 THR N A 131 THR H 1.0 . . . 127 127 A 133 ILE N A 133 ILE H 1.0 . . . 128 128 A 134 GLY N A 134 GLY H 1.0 . . . 129 129 A 136 ILE N A 136 ILE H 1.0 . . . stop_ save_ save_N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 ppm 1H 6.0 2 ppm 1H 12.0 3 ppm 15N 36.8 stop_ save_ save_Cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 ppm 1H 12.0 2 ppm 1H 12.0 3 ppm 13C 44.0 stop_ save_ save_Caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode Caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 ppm 1H 6.0 2 ppm 1H 12.0 3 ppm 13C 44.0 stop_ save_