data_nef_c18954_2m3d 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 HIS middle . . 3 A 3 ILE middle . . 4 A 4 SER middle . . 5 A 5 GLY middle . false 6 A 6 ALA middle . . 7 A 7 THR middle . . 8 A 8 SER middle . . 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 GLN middle . . 12 A 12 ARG middle . . 13 A 13 SER middle . . 14 A 14 LEU middle . . 15 A 15 ILE middle . . 16 A 16 ASN middle . . 17 A 17 SER middle . . 18 A 18 ASN middle . . 19 A 19 VAL middle . . 20 A 20 GLY middle . false 21 A 21 PHE middle . . 22 A 22 VAL middle . . 23 A 23 THR middle . . 24 A 24 MET middle . . 25 A 25 ILE middle . . 26 A 26 LEU middle . . 27 A 27 GLN middle . . 28 A 28 CYS middle . . 29 A 29 SER middle . . 30 A 30 ILE middle . . 31 A 31 GLU middle . . 32 A 32 MET middle . . 33 A 33 PRO middle . false 34 A 34 ASN middle . . 35 A 35 ILE middle . . 36 A 36 SER middle . . 37 A 37 TYR middle . . 38 A 38 ALA middle . . 39 A 39 TRP middle . . 40 A 40 LYS middle . . 41 A 41 GLU middle . . 42 A 42 LEU middle . . 43 A 43 LYS middle . . 44 A 44 GLU middle . . 45 A 45 GLN middle . . 46 A 46 LEU middle . . 47 A 47 GLY middle . false 48 A 48 GLU middle . . 49 A 49 GLU middle . . 50 A 50 ILE middle . . 51 A 51 ASP middle . . 52 A 52 SER middle . . 53 A 53 LYS middle . . 54 A 54 VAL middle . . 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 MET middle . . 58 A 58 VAL middle . . 59 A 59 PHE middle . . 60 A 60 LEU middle . . 61 A 61 LYS middle . . 62 A 62 GLY middle . false 63 A 63 LYS middle . . 64 A 64 LEU middle . . 65 A 65 GLY middle . false 66 A 66 VAL middle . . 67 A 67 CYS middle . . 68 A 68 PHE middle . . 69 A 69 ASP middle . . 70 A 70 VAL middle . . 71 A 71 PRO middle . false 72 A 72 THR middle . . 73 A 73 ALA middle . . 74 A 74 SER middle . . 75 A 75 VAL middle . . 76 A 76 THR middle . . 77 A 77 GLU middle . . 78 A 78 ILE middle . . 79 A 79 GLN middle . . 80 A 80 GLU middle . . 81 A 81 LYS middle . . 82 A 82 TRP middle . . 83 A 83 HIS middle . . 84 A 84 ASP middle . . 85 A 85 SER middle . . 86 A 86 ARG middle . . 87 A 87 ARG middle . . 88 A 88 TRP middle . . 89 A 89 GLN middle . . 90 A 90 LEU middle . . 91 A 91 SER middle . . 92 A 92 VAL middle . . 93 A 93 ALA middle . . 94 A 94 THR middle . . 95 A 95 GLU 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 3 ILE H H 1 8.271 0.000 A 3 ILE HA H 1 4.115 0.000 A 3 ILE HB H 1 1.732 0.000 A 3 ILE HG12 H 1 1.052 0.000 A 3 ILE CA C 13 58.302 0.000 A 3 ILE CB C 13 36.212 0.000 A 3 ILE CG1 C 13 24.702 0.000 A 3 ILE N N 15 123.622 0.000 A 4 SER H H 1 8.425 0.000 A 4 SER HA H 1 4.368 0.000 A 4 SER HB2 H 1 3.778 0.000 A 4 SER HB3 H 1 3.824 0.000 A 4 SER CA C 13 55.796 0.000 A 4 SER CB C 13 60.945 0.000 A 4 SER N N 15 120.605 0.000 A 5 GLY H H 1 8.406 0.000 A 5 GLY HA2 H 1 3.900 0.000 A 5 GLY HA3 H 1 3.900 0.000 A 5 GLY CA C 13 42.781 0.000 A 5 GLY N N 15 111.455 0.000 A 6 ALA H H 1 8.103 0.000 A 6 ALA HA H 1 4.319 0.000 A 6 ALA HB% H 1 1.308 0.000 A 6 ALA CA C 13 49.894 0.000 A 6 ALA CB C 13 16.928 0.000 A 6 ALA N N 15 123.660 0.000 A 7 THR H H 1 8.108 0.000 A 7 THR HA H 1 4.309 0.000 A 7 THR HB H 1 4.190 0.000 A 7 THR HG2% H 1 1.124 0.000 A 7 THR CA C 13 58.886 0.000 A 7 THR CB C 13 67.461 0.000 A 7 THR CG2 C 13 19.050 0.000 A 7 THR N N 15 113.014 0.000 A 8 SER H H 1 8.222 0.000 A 8 SER HA H 1 4.434 0.000 A 8 SER HB2 H 1 3.825 0.000 A 8 SER HB3 H 1 3.777 0.000 A 8 SER CA C 13 55.537 0.000 A 8 SER CB C 13 61.305 0.000 A 8 SER N N 15 118.032 0.000 A 9 VAL H H 1 8.098 0.000 A 9 VAL HA H 1 4.022 0.000 A 9 VAL HB H 1 2.013 0.000 A 9 VAL HG1% H 1 0.843 0.000 A 9 VAL HG2% H 1 0.839 0.000 A 9 VAL CA C 13 60.014 0.000 A 9 VAL CB C 13 30.139 0.000 A 9 VAL CG1 C 13 17.765 0.000 A 9 VAL CG2 C 13 18.755 0.000 A 9 VAL N N 15 121.129 0.000 A 10 ASP H H 1 8.242 0.000 A 10 ASP HA H 1 4.503 0.000 A 10 ASP HB2 H 1 2.554 0.000 A 10 ASP HB3 H 1 2.650 0.000 A 10 ASP CA C 13 51.635 0.000 A 10 ASP CB C 13 38.671 0.000 A 10 ASP N N 15 123.102 0.000 A 11 GLN H H 1 8.247 0.000 A 11 GLN HA H 1 4.165 0.000 A 11 GLN HB2 H 1 1.923 0.000 A 11 GLN HB3 H 1 2.067 0.000 A 11 GLN HE21 H 1 6.779 0.000 A 11 GLN HE22 H 1 7.424 0.000 A 11 GLN HG2 H 1 2.280 0.000 A 11 GLN HG3 H 1 2.280 0.000 A 11 GLN CA C 13 53.773 0.000 A 11 GLN CB C 13 26.558 0.000 A 11 GLN CG C 13 31.453 0.000 A 11 GLN N N 15 121.449 0.000 A 11 GLN NE2 N 15 112.663 0.000 A 12 ARG H H 1 8.215 0.000 A 12 ARG HA H 1 4.227 0.000 A 12 ARG HB2 H 1 1.731 0.000 A 12 ARG HB3 H 1 1.763 0.000 A 12 ARG HD2 H 1 3.113 0.000 A 12 ARG HD3 H 1 3.113 0.000 A 12 ARG HG2 H 1 1.551 0.000 A 12 ARG HG3 H 1 1.578 0.000 A 12 ARG CA C 13 59.634 0.000 A 12 ARG CB C 13 28.284 0.000 A 12 ARG CD C 13 40.838 0.000 A 12 ARG CG C 13 24.550 0.000 A 12 ARG N N 15 121.029 0.000 A 13 SER H H 1 8.483 0.000 A 13 SER HA H 1 4.327 0.000 A 13 SER HB2 H 1 3.824 0.000 A 13 SER HB3 H 1 3.778 0.000 A 13 SER CA C 13 56.317 0.000 A 13 SER CB C 13 61.153 0.000 A 13 SER N N 15 121.168 0.000 A 14 LEU H H 1 8.124 0.000 A 14 LEU HA H 1 4.247 0.000 A 14 LEU HB2 H 1 1.567 0.000 A 14 LEU HB3 H 1 1.511 0.000 A 14 LEU HD1% H 1 0.804 0.000 A 14 LEU HD2% H 1 0.754 0.000 A 14 LEU HG H 1 1.559 0.000 A 14 LEU CA C 13 52.873 0.000 A 14 LEU CB C 13 39.689 0.000 A 14 LEU CD1 C 13 22.597 0.000 A 14 LEU CD2 C 13 20.739 0.000 A 14 LEU CG C 13 24.580 0.000 A 14 LEU N N 15 115.731 0.000 A 15 ILE H H 1 7.859 0.000 A 15 ILE HA H 1 3.997 0.000 A 15 ILE HB H 1 1.734 0.000 A 15 ILE HD1% H 1 0.720 0.000 A 15 ILE HG12 H 1 1.375 0.000 A 15 ILE HG13 H 1 1.050 0.000 A 15 ILE HG2% H 1 0.784 0.000 A 15 ILE CA C 13 58.840 0.000 A 15 ILE CB C 13 36.205 0.000 A 15 ILE CD1 C 13 10.339 0.000 A 15 ILE CG1 C 13 24.919 0.000 A 15 ILE CG2 C 13 14.799 0.000 A 15 ILE N N 15 119.991 0.000 A 16 ASN H H 1 8.014 0.000 A 16 ASN HA H 1 4.713 0.000 A 16 ASN HB2 H 1 2.705 0.000 A 16 ASN HB3 H 1 2.634 0.000 A 16 ASN HD21 H 1 6.705 0.000 A 16 ASN HD22 H 1 7.493 0.000 A 16 ASN CB C 13 36.453 0.000 A 16 ASN N N 15 120.780 0.000 A 16 ASN ND2 N 15 113.116 0.000 A 17 SER H H 1 8.121 0.000 A 17 SER HA H 1 4.300 0.000 A 17 SER HB2 H 1 3.777 0.000 A 17 SER HB3 H 1 3.814 0.000 A 17 SER CA C 13 56.001 0.000 A 17 SER CB C 13 60.894 0.000 A 17 SER N N 15 115.640 0.000 A 18 ASN H H 1 8.376 0.000 A 18 ASN HA H 1 4.731 0.000 A 18 ASN HB2 H 1 2.751 0.000 A 18 ASN HB3 H 1 2.707 0.000 A 18 ASN HD21 H 1 7.481 0.000 A 18 ASN HD22 H 1 6.787 0.000 A 18 ASN CB C 13 36.293 0.000 A 18 ASN N N 15 121.876 0.000 A 18 ASN ND2 N 15 112.732 0.000 A 19 VAL H H 1 8.022 0.000 A 19 VAL HA H 1 4.029 0.000 A 19 VAL HB H 1 2.042 0.000 A 19 VAL HG1% H 1 0.909 0.000 A 19 VAL HG2% H 1 0.874 0.000 A 19 VAL CA C 13 60.348 0.000 A 19 VAL CB C 13 29.903 0.000 A 19 VAL CG1 C 13 18.241 0.000 A 19 VAL CG2 C 13 18.731 0.000 A 19 VAL N N 15 120.480 0.000 A 20 GLY H H 1 8.567 0.000 A 20 GLY HA2 H 1 3.720 0.000 A 20 GLY HA3 H 1 3.932 0.000 A 20 GLY CA C 13 42.698 0.000 A 20 GLY N N 15 112.265 0.000 A 21 PHE H H 1 7.917 0.000 A 21 PHE HA H 1 5.133 0.000 A 21 PHE HB2 H 1 2.697 0.000 A 21 PHE HB3 H 1 2.697 0.000 A 21 PHE HD1 H 1 6.834 0.000 A 21 PHE HD2 H 1 6.834 0.000 A 21 PHE HE1 H 1 7.232 0.000 A 21 PHE HE2 H 1 7.232 0.000 A 21 PHE HZ H 1 7.240 0.000 A 21 PHE CA C 13 54.358 0.000 A 21 PHE CB C 13 40.894 0.000 A 21 PHE CD2 C 13 129.245 0.000 A 21 PHE CE2 C 13 128.982 0.000 A 21 PHE CZ C 13 127.512 0.000 A 21 PHE N N 15 119.701 0.000 A 22 VAL H H 1 9.221 0.000 A 22 VAL HA H 1 4.261 0.000 A 22 VAL HB H 1 1.676 0.000 A 22 VAL HG1% H 1 0.837 0.000 A 22 VAL HG2% H 1 0.837 0.000 A 22 VAL CA C 13 57.972 0.000 A 22 VAL CB C 13 33.078 0.000 A 22 VAL CG2 C 13 19.392 0.000 A 22 VAL N N 15 120.733 0.000 A 23 THR H H 1 8.403 0.000 A 23 THR HA H 1 4.967 0.000 A 23 THR HB H 1 3.657 0.000 A 23 THR HG2% H 1 0.977 0.000 A 23 THR CA C 13 59.731 0.000 A 23 THR CB C 13 66.715 0.000 A 23 THR CG2 C 13 20.157 0.000 A 23 THR N N 15 123.388 0.000 A 24 MET H H 1 9.289 0.000 A 24 MET HA H 1 4.702 0.000 A 24 MET HB2 H 1 1.282 0.000 A 24 MET HB3 H 1 0.489 0.000 A 24 MET HE% H 1 1.591 0.000 A 24 MET HG2 H 1 2.151 0.000 A 24 MET HG3 H 1 2.005 0.000 A 24 MET CA C 13 51.056 0.000 A 24 MET CB C 13 32.115 0.000 A 24 MET CE C 13 14.723 0.000 A 24 MET CG C 13 31.212 0.000 A 24 MET N N 15 125.957 0.000 A 25 ILE H H 1 8.572 0.000 A 25 ILE HA H 1 4.399 0.000 A 25 ILE HB H 1 1.553 0.000 A 25 ILE HD1% H 1 0.647 0.000 A 25 ILE HG12 H 1 1.263 0.000 A 25 ILE HG13 H 1 1.263 0.000 A 25 ILE HG2% H 1 0.708 0.000 A 25 ILE CA C 13 56.759 0.000 A 25 ILE CB C 13 37.870 0.000 A 25 ILE CD1 C 13 10.614 0.000 A 25 ILE CG1 C 13 24.978 0.000 A 25 ILE CG2 C 13 14.967 0.000 A 25 ILE N N 15 117.652 0.000 A 26 LEU H H 1 8.901 0.000 A 26 LEU HA H 1 5.214 0.000 A 26 LEU HB2 H 1 2.056 0.000 A 26 LEU HB3 H 1 0.960 0.000 A 26 LEU HD1% H 1 0.398 0.000 A 26 LEU HD2% H 1 0.362 0.000 A 26 LEU HG H 1 1.720 0.000 A 26 LEU CA C 13 50.111 0.000 A 26 LEU CB C 13 41.363 0.000 A 26 LEU CD1 C 13 23.587 0.000 A 26 LEU CD2 C 13 21.731 0.000 A 26 LEU CG C 13 24.777 0.000 A 26 LEU N N 15 130.281 0.000 A 27 GLN H H 1 9.330 0.000 A 27 GLN HA H 1 4.773 0.000 A 27 GLN HB2 H 1 1.960 0.000 A 27 GLN HB3 H 1 2.077 0.000 A 27 GLN HE21 H 1 6.610 0.000 A 27 GLN HE22 H 1 7.421 0.000 A 27 GLN HG2 H 1 2.171 0.000 A 27 GLN HG3 H 1 2.288 0.000 A 27 GLN CB C 13 29.511 0.000 A 27 GLN CG C 13 32.379 0.000 A 27 GLN N N 15 125.400 0.000 A 27 GLN NE2 N 15 111.536 0.000 A 28 CYS H H 1 8.585 0.000 A 28 CYS HA H 1 5.123 0.000 A 28 CYS HB2 H 1 2.494 0.000 A 28 CYS HB3 H 1 2.494 0.000 A 28 CYS CA C 13 53.035 0.000 A 28 CYS CB C 13 29.179 0.000 A 28 CYS N N 15 124.065 0.000 A 29 SER H H 1 8.519 0.000 A 29 SER HA H 1 4.160 0.000 A 29 SER HB2 H 1 3.922 0.000 A 29 SER HB3 H 1 3.922 0.000 A 29 SER CA C 13 57.073 0.000 A 29 SER CB C 13 60.725 0.000 A 29 SER N N 15 121.076 0.000 A 30 ILE H H 1 7.343 0.000 A 30 ILE HA H 1 4.308 0.000 A 30 ILE HB H 1 1.659 0.000 A 30 ILE HD1% H 1 0.650 0.000 A 30 ILE HG12 H 1 1.127 0.000 A 30 ILE HG13 H 1 1.127 0.000 A 30 ILE HG2% H 1 0.721 0.000 A 30 ILE CA C 13 56.581 0.000 A 30 ILE CB C 13 39.391 0.000 A 30 ILE CD1 C 13 10.900 0.000 A 30 ILE CG1 C 13 23.827 0.000 A 30 ILE CG2 C 13 15.409 0.000 A 30 ILE N N 15 117.987 0.000 A 31 GLU H H 1 7.901 0.000 A 31 GLU HA H 1 3.678 0.000 A 31 GLU HB2 H 1 1.622 0.000 A 31 GLU HB3 H 1 1.758 0.000 A 31 GLU HG2 H 1 1.859 0.000 A 31 GLU HG3 H 1 2.184 0.000 A 31 GLU CA C 13 54.224 0.000 A 31 GLU CB C 13 27.361 0.000 A 31 GLU CG C 13 33.715 0.000 A 31 GLU N N 15 119.585 0.000 A 32 MET H H 1 8.406 0.000 A 32 MET HA H 1 4.297 0.000 A 32 MET HB2 H 1 2.234 0.000 A 32 MET HB3 H 1 2.131 0.000 A 32 MET HE% H 1 2.260 0.000 A 32 MET HG2 H 1 2.735 0.000 A 32 MET HG3 H 1 2.735 0.000 A 32 MET CA C 13 50.919 0.000 A 32 MET CB C 13 32.696 0.000 A 32 MET CE C 13 15.832 0.000 A 32 MET CG C 13 29.803 0.000 A 32 MET N N 15 126.504 0.000 A 33 PRO HA H 1 4.191 0.000 A 33 PRO HB2 H 1 2.297 0.000 A 33 PRO HB3 H 1 1.782 0.000 A 33 PRO HD2 H 1 3.579 0.000 A 33 PRO HD3 H 1 2.412 0.000 A 33 PRO HG2 H 1 1.793 0.000 A 33 PRO HG3 H 1 1.699 0.000 A 33 PRO CA C 13 61.767 0.000 A 33 PRO CB C 13 30.026 0.000 A 33 PRO CD C 13 47.363 0.000 A 33 PRO CG C 13 25.107 0.000 A 34 ASN H H 1 7.077 0.000 A 34 ASN HA H 1 4.816 0.000 A 34 ASN HB2 H 1 3.200 0.000 A 34 ASN HB3 H 1 3.119 0.000 A 34 ASN HD21 H 1 7.964 0.000 A 34 ASN HD22 H 1 7.223 0.000 A 34 ASN CA C 13 49.972 0.000 A 34 ASN CB C 13 38.137 0.000 A 34 ASN N N 15 107.313 0.000 A 34 ASN ND2 N 15 116.451 0.000 A 35 ILE H H 1 9.109 0.000 A 35 ILE HA H 1 3.943 0.000 A 35 ILE HB H 1 1.673 0.000 A 35 ILE HD1% H 1 0.309 0.000 A 35 ILE HG12 H 1 1.134 0.000 A 35 ILE HG13 H 1 1.016 0.000 A 35 ILE HG2% H 1 0.787 0.000 A 35 ILE CA C 13 61.775 0.000 A 35 ILE CB C 13 36.390 0.000 A 35 ILE CD1 C 13 11.427 0.000 A 35 ILE CG1 C 13 26.925 0.000 A 35 ILE CG2 C 13 14.606 0.000 A 35 ILE N N 15 122.015 0.000 A 36 SER H H 1 8.936 0.000 A 36 SER HA H 1 4.366 0.000 A 36 SER HB2 H 1 3.972 0.000 A 36 SER HB3 H 1 3.972 0.000 A 36 SER CA C 13 59.274 0.000 A 36 SER CB C 13 59.818 0.000 A 36 SER N N 15 119.851 0.000 A 37 TYR H H 1 7.808 0.000 A 37 TYR HA H 1 4.203 0.000 A 37 TYR HB2 H 1 3.330 0.000 A 37 TYR HB3 H 1 3.404 0.000 A 37 TYR HD1 H 1 7.427 0.000 A 37 TYR HD2 H 1 7.427 0.000 A 37 TYR HE1 H 1 6.862 0.000 A 37 TYR HE2 H 1 6.862 0.000 A 37 TYR CA C 13 59.185 0.000 A 37 TYR CB C 13 36.393 0.000 A 37 TYR CD1 C 13 130.487 0.000 A 37 TYR CE1 C 13 116.468 0.000 A 37 TYR N N 15 122.338 0.000 A 38 ALA H H 1 7.364 0.000 A 38 ALA HA H 1 3.871 0.000 A 38 ALA HB% H 1 1.233 0.000 A 38 ALA CA C 13 51.797 0.000 A 38 ALA CB C 13 16.656 0.000 A 38 ALA N N 15 120.761 0.000 A 39 TRP H H 1 7.134 0.000 A 39 TRP HA H 1 4.076 0.000 A 39 TRP HB2 H 1 3.046 0.000 A 39 TRP HB3 H 1 3.080 0.000 A 39 TRP HD1 H 1 6.920 0.000 A 39 TRP HE1 H 1 10.081 0.000 A 39 TRP HE3 H 1 7.179 0.000 A 39 TRP HH2 H 1 6.982 0.000 A 39 TRP HZ2 H 1 7.362 0.000 A 39 TRP HZ3 H 1 6.477 0.000 A 39 TRP CA C 13 57.730 0.000 A 39 TRP CB C 13 27.712 0.000 A 39 TRP CD1 C 13 124.676 0.000 A 39 TRP CE3 C 13 116.864 0.000 A 39 TRP CH2 C 13 122.146 0.000 A 39 TRP CZ2 C 13 113.083 0.000 A 39 TRP CZ3 C 13 118.199 0.000 A 39 TRP N N 15 115.813 0.000 A 39 TRP NE1 N 15 129.943 0.000 A 40 LYS H H 1 8.091 0.000 A 40 LYS HA H 1 3.849 0.000 A 40 LYS HB2 H 1 1.829 0.000 A 40 LYS HB3 H 1 1.829 0.000 A 40 LYS HD2 H 1 1.577 0.000 A 40 LYS HD3 H 1 1.577 0.000 A 40 LYS HE2 H 1 2.890 0.000 A 40 LYS HE3 H 1 2.890 0.000 A 40 LYS HG2 H 1 1.359 0.000 A 40 LYS HG3 H 1 1.421 0.000 A 40 LYS CA C 13 56.984 0.000 A 40 LYS CB C 13 29.989 0.000 A 40 LYS CD C 13 26.878 0.000 A 40 LYS CE C 13 39.743 0.000 A 40 LYS CG C 13 22.360 0.000 A 40 LYS N N 15 117.209 0.000 A 41 GLU H H 1 6.674 0.000 A 41 GLU HA H 1 3.954 0.000 A 41 GLU HB2 H 1 1.339 0.000 A 41 GLU HB3 H 1 0.799 0.000 A 41 GLU HG2 H 1 1.640 0.000 A 41 GLU HG3 H 1 0.707 0.000 A 41 GLU CA C 13 55.902 0.000 A 41 GLU CB C 13 25.922 0.000 A 41 GLU CG C 13 31.141 0.000 A 41 GLU N N 15 119.521 0.000 A 42 LEU H H 1 7.866 0.000 A 42 LEU HA H 1 3.887 0.000 A 42 LEU HB2 H 1 1.033 0.000 A 42 LEU HB3 H 1 1.673 0.000 A 42 LEU HD1% H 1 -0.309 0.000 A 42 LEU HD2% H 1 0.386 0.000 A 42 LEU HG H 1 1.278 0.000 A 42 LEU CA C 13 55.840 0.000 A 42 LEU CB C 13 39.838 0.000 A 42 LEU CD1 C 13 23.241 0.000 A 42 LEU CD2 C 13 20.674 0.000 A 42 LEU CG C 13 23.804 0.000 A 42 LEU N N 15 117.269 0.000 A 43 LYS H H 1 8.458 0.000 A 43 LYS HA H 1 3.969 0.000 A 43 LYS HB2 H 1 1.565 0.000 A 43 LYS HB3 H 1 1.756 0.000 A 43 LYS HD2 H 1 1.560 0.000 A 43 LYS HD3 H 1 1.560 0.000 A 43 LYS HE2 H 1 2.685 0.000 A 43 LYS HE3 H 1 2.714 0.000 A 43 LYS HG2 H 1 1.561 0.000 A 43 LYS HG3 H 1 1.370 0.000 A 43 LYS CA C 13 56.007 0.000 A 43 LYS CB C 13 30.092 0.000 A 43 LYS CD C 13 27.166 0.000 A 43 LYS CE C 13 39.786 0.000 A 43 LYS CG C 13 24.667 0.000 A 43 LYS N N 15 117.633 0.000 A 44 GLU H H 1 8.013 0.000 A 44 GLU HA H 1 3.843 0.000 A 44 GLU HB2 H 1 2.073 0.000 A 44 GLU HB3 H 1 1.916 0.000 A 44 GLU HG2 H 1 2.152 0.000 A 44 GLU HG3 H 1 2.286 0.000 A 44 GLU CA C 13 56.955 0.000 A 44 GLU CB C 13 26.855 0.000 A 44 GLU CG C 13 34.067 0.000 A 44 GLU N N 15 120.906 0.000 A 45 GLN H H 1 7.665 0.000 A 45 GLN HA H 1 4.138 0.000 A 45 GLN HB2 H 1 2.239 0.000 A 45 GLN HB3 H 1 1.868 0.000 A 45 GLN HE21 H 1 7.082 0.000 A 45 GLN HE22 H 1 5.503 0.000 A 45 GLN HG2 H 1 2.258 0.000 A 45 GLN HG3 H 1 1.710 0.000 A 45 GLN CA C 13 58.177 0.000 A 45 GLN CB C 13 27.536 0.000 A 45 GLN CG C 13 31.815 0.000 A 45 GLN N N 15 113.584 0.000 A 45 GLN NE2 N 15 112.369 0.000 A 46 LEU H H 1 8.652 0.000 A 46 LEU HA H 1 4.470 0.000 A 46 LEU HB2 H 1 1.551 0.000 A 46 LEU HB3 H 1 1.971 0.000 A 46 LEU HD1% H 1 1.050 0.000 A 46 LEU HD2% H 1 1.050 0.000 A 46 LEU HG H 1 0.934 0.000 A 46 LEU CA C 13 51.929 0.000 A 46 LEU CB C 13 39.636 0.000 A 46 LEU CD2 C 13 21.441 0.000 A 46 LEU CG C 13 24.132 0.000 A 46 LEU N N 15 114.594 0.000 A 47 GLY H H 1 7.642 0.000 A 47 GLY HA2 H 1 3.758 0.000 A 47 GLY HA3 H 1 4.453 0.000 A 47 GLY CA C 13 41.839 0.000 A 47 GLY N N 15 110.084 0.000 A 48 GLU H H 1 8.348 0.000 A 48 GLU HA H 1 3.712 0.000 A 48 GLU HB2 H 1 1.941 0.000 A 48 GLU HB3 H 1 1.981 0.000 A 48 GLU HG2 H 1 2.247 0.000 A 48 GLU HG3 H 1 2.247 0.000 A 48 GLU CA C 13 56.422 0.000 A 48 GLU CB C 13 27.465 0.000 A 48 GLU CG C 13 33.550 0.000 A 48 GLU N N 15 118.535 0.000 A 49 GLU H H 1 8.498 0.000 A 49 GLU HA H 1 4.373 0.000 A 49 GLU HB2 H 1 1.916 0.000 A 49 GLU HB3 H 1 2.115 0.000 A 49 GLU HG2 H 1 2.226 0.000 A 49 GLU HG3 H 1 2.226 0.000 A 49 GLU CA C 13 54.413 0.000 A 49 GLU CB C 13 25.961 0.000 A 49 GLU CG C 13 33.979 0.000 A 49 GLU N N 15 114.460 0.000 A 50 ILE H H 1 7.617 0.000 A 50 ILE HA H 1 4.102 0.000 A 50 ILE HB H 1 1.820 0.000 A 50 ILE HD1% H 1 0.819 0.000 A 50 ILE HG12 H 1 1.385 0.000 A 50 ILE HG13 H 1 1.201 0.000 A 50 ILE HG2% H 1 0.843 0.000 A 50 ILE CA C 13 57.703 0.000 A 50 ILE CB C 13 35.737 0.000 A 50 ILE CD1 C 13 11.589 0.000 A 50 ILE CG1 C 13 26.192 0.000 A 50 ILE CG2 C 13 17.376 0.000 A 50 ILE N N 15 121.524 0.000 A 51 ASP H H 1 7.926 0.000 A 51 ASP HA H 1 4.300 0.000 A 51 ASP HB2 H 1 2.405 0.000 A 51 ASP HB3 H 1 2.023 0.000 A 51 ASP CA C 13 53.532 0.000 A 51 ASP CB C 13 37.198 0.000 A 51 ASP N N 15 119.881 0.000 A 52 SER H H 1 7.888 0.000 A 52 SER HA H 1 4.403 0.000 A 52 SER HB2 H 1 3.921 0.000 A 52 SER HB3 H 1 3.992 0.000 A 52 SER CA C 13 56.968 0.000 A 52 SER CB C 13 61.183 0.000 A 52 SER N N 15 113.164 0.000 A 53 LYS H H 1 7.714 0.000 A 53 LYS HA H 1 4.454 0.000 A 53 LYS HB2 H 1 1.855 0.000 A 53 LYS HB3 H 1 1.855 0.000 A 53 LYS HD2 H 1 1.491 0.000 A 53 LYS HD3 H 1 1.585 0.000 A 53 LYS HE2 H 1 2.861 0.000 A 53 LYS HE3 H 1 2.861 0.000 A 53 LYS HG2 H 1 1.393 0.000 A 53 LYS HG3 H 1 1.479 0.000 A 53 LYS CA C 13 53.813 0.000 A 53 LYS CB C 13 32.359 0.000 A 53 LYS CD C 13 26.692 0.000 A 53 LYS CE C 13 39.741 0.000 A 53 LYS CG C 13 22.621 0.000 A 53 LYS N N 15 120.411 0.000 A 54 VAL H H 1 7.041 0.000 A 54 VAL HA H 1 4.467 0.000 A 54 VAL HB H 1 1.988 0.000 A 54 VAL HG1% H 1 0.401 0.000 A 54 VAL HG2% H 1 0.613 0.000 A 54 VAL CA C 13 59.565 0.000 A 54 VAL CB C 13 30.833 0.000 A 54 VAL CG1 C 13 19.562 0.000 A 54 VAL CG2 C 13 18.771 0.000 A 54 VAL N N 15 116.701 0.000 A 55 LYS H H 1 9.138 0.000 A 55 LYS HA H 1 4.748 0.000 A 55 LYS HB2 H 1 1.544 0.000 A 55 LYS HB3 H 1 1.632 0.000 A 55 LYS HD2 H 1 1.169 0.000 A 55 LYS HD3 H 1 1.278 0.000 A 55 LYS HE2 H 1 2.445 0.000 A 55 LYS HE3 H 1 2.509 0.000 A 55 LYS HG2 H 1 1.170 0.000 A 55 LYS HG3 H 1 1.170 0.000 A 55 LYS CA C 13 51.602 0.000 A 55 LYS CB C 13 33.288 0.000 A 55 LYS CD C 13 26.430 0.000 A 55 LYS CE C 13 39.422 0.000 A 55 LYS CG C 13 21.639 0.000 A 55 LYS N N 15 125.891 0.000 A 56 GLY H H 1 8.489 0.000 A 56 GLY HA2 H 1 3.688 0.000 A 56 GLY HA3 H 1 3.688 0.000 A 56 GLY CA C 13 44.716 0.000 A 56 GLY N N 15 109.312 0.000 A 57 MET H H 1 8.039 0.000 A 57 MET HA H 1 4.930 0.000 A 57 MET HB2 H 1 1.499 0.000 A 57 MET HB3 H 1 1.773 0.000 A 57 MET HE% H 1 0.063 0.000 A 57 MET HG2 H 1 1.823 0.000 A 57 MET HG3 H 1 1.870 0.000 A 57 MET CA C 13 53.906 0.000 A 57 MET CB C 13 30.841 0.000 A 57 MET CE C 13 12.773 0.000 A 57 MET CG C 13 29.193 0.000 A 57 MET N N 15 118.391 0.000 A 58 VAL H H 1 8.780 0.000 A 58 VAL HA H 1 4.449 0.000 A 58 VAL HB H 1 2.101 0.000 A 58 VAL HG1% H 1 0.856 0.000 A 58 VAL HG2% H 1 0.843 0.000 A 58 VAL CA C 13 57.050 0.000 A 58 VAL CB C 13 33.856 0.000 A 58 VAL CG1 C 13 18.876 0.000 A 58 VAL CG2 C 13 17.188 0.000 A 58 VAL N N 15 124.257 0.000 A 59 PHE H H 1 8.432 0.000 A 59 PHE HA H 1 4.975 0.000 A 59 PHE HB2 H 1 2.829 0.000 A 59 PHE HB3 H 1 3.438 0.000 A 59 PHE HD1 H 1 7.476 0.000 A 59 PHE HD2 H 1 7.476 0.000 A 59 PHE HE1 H 1 7.332 0.000 A 59 PHE HE2 H 1 7.332 0.000 A 59 PHE HZ H 1 6.847 0.000 A 59 PHE CA C 13 56.564 0.000 A 59 PHE CB C 13 37.690 0.000 A 59 PHE CD1 C 13 129.072 0.000 A 59 PHE CE1 C 13 129.041 0.000 A 59 PHE CZ C 13 126.454 0.000 A 59 PHE N N 15 120.512 0.000 A 60 LEU H H 1 8.291 0.000 A 60 LEU HA H 1 4.376 0.000 A 60 LEU HB2 H 1 1.498 0.000 A 60 LEU HB3 H 1 1.322 0.000 A 60 LEU HD1% H 1 0.751 0.000 A 60 LEU HD2% H 1 0.694 0.000 A 60 LEU HG H 1 1.269 0.000 A 60 LEU CA C 13 51.227 0.000 A 60 LEU CB C 13 40.525 0.000 A 60 LEU CD1 C 13 20.287 0.000 A 60 LEU CD2 C 13 22.959 0.000 A 60 LEU CG C 13 24.777 0.000 A 60 LEU N N 15 120.934 0.000 A 61 LYS H H 1 8.371 0.000 A 61 LYS HA H 1 3.981 0.000 A 61 LYS HB2 H 1 1.670 0.000 A 61 LYS HB3 H 1 1.642 0.000 A 61 LYS HD2 H 1 1.614 0.000 A 61 LYS HD3 H 1 1.614 0.000 A 61 LYS HE2 H 1 2.908 0.000 A 61 LYS HE3 H 1 2.908 0.000 A 61 LYS HG2 H 1 1.313 0.000 A 61 LYS HG3 H 1 1.287 0.000 A 61 LYS CA C 13 55.543 0.000 A 61 LYS CB C 13 29.642 0.000 A 61 LYS CD C 13 27.062 0.000 A 61 LYS CE C 13 39.621 0.000 A 61 LYS CG C 13 22.239 0.000 A 61 LYS N N 15 122.117 0.000 A 62 GLY H H 1 8.870 0.000 A 62 GLY HA2 H 1 3.565 0.000 A 62 GLY HA3 H 1 3.978 0.000 A 62 GLY CA C 13 42.972 0.000 A 62 GLY N N 15 114.590 0.000 A 63 LYS H H 1 8.129 0.000 A 63 LYS N N 15 111.406 0.000 A 64 LEU HA H 1 4.466 0.000 A 64 LEU HB2 H 1 1.448 0.000 A 64 LEU HB3 H 1 1.857 0.000 A 64 LEU HD1% H 1 0.778 0.000 A 64 LEU HD2% H 1 0.548 0.000 A 64 LEU HG H 1 1.385 0.000 A 64 LEU CA C 13 52.271 0.000 A 64 LEU CB C 13 38.456 0.000 A 64 LEU CD1 C 13 22.970 0.000 A 64 LEU CD2 C 13 19.996 0.000 A 64 LEU CG C 13 24.505 0.000 A 65 GLY H H 1 7.375 0.000 A 65 GLY HA2 H 1 4.745 0.000 A 65 GLY HA3 H 1 4.479 0.000 A 65 GLY CA C 13 42.592 0.000 A 65 GLY N N 15 105.164 0.000 A 66 VAL H H 1 9.127 0.000 A 66 VAL HA H 1 5.391 0.000 A 66 VAL HB H 1 2.057 0.000 A 66 VAL HG1% H 1 0.766 0.000 A 66 VAL HG2% H 1 0.642 0.000 A 66 VAL CA C 13 56.267 0.000 A 66 VAL CB C 13 34.051 0.000 A 66 VAL CG1 C 13 17.540 0.000 A 66 VAL CG2 C 13 20.142 0.000 A 66 VAL N N 15 111.490 0.000 A 67 CYS H H 1 8.914 0.000 A 67 CYS HA H 1 5.494 0.000 A 67 CYS HB2 H 1 2.666 0.000 A 67 CYS HB3 H 1 2.515 0.000 A 67 CYS CA C 13 52.870 0.000 A 67 CYS CB C 13 28.485 0.000 A 67 CYS N N 15 116.847 0.000 A 68 PHE H H 1 8.118 0.000 A 68 PHE HA H 1 4.640 0.000 A 68 PHE HB2 H 1 2.841 0.000 A 68 PHE HB3 H 1 2.727 0.000 A 68 PHE HD1 H 1 6.534 0.000 A 68 PHE HD2 H 1 6.534 0.000 A 68 PHE CA C 13 53.636 0.000 A 68 PHE CB C 13 36.964 0.000 A 68 PHE CD1 C 13 130.322 0.000 A 68 PHE N N 15 116.013 0.000 A 69 ASP H H 1 8.999 0.000 A 69 ASP HA H 1 5.737 0.000 A 69 ASP HB2 H 1 2.292 0.000 A 69 ASP HB3 H 1 2.292 0.000 A 69 ASP CA C 13 50.163 0.000 A 69 ASP CB C 13 40.589 0.000 A 69 ASP N N 15 119.562 0.000 A 70 VAL H H 1 8.913 0.000 A 70 VAL HA H 1 5.334 0.000 A 70 VAL HB H 1 2.062 0.000 A 70 VAL HG1% H 1 0.793 0.000 A 70 VAL HG2% H 1 1.009 0.000 A 70 VAL CA C 13 54.964 0.000 A 70 VAL CB C 13 31.536 0.000 A 70 VAL CG1 C 13 17.227 0.000 A 70 VAL CG2 C 13 19.847 0.000 A 70 VAL N N 15 114.283 0.000 A 71 PRO HA H 1 4.227 0.000 A 71 PRO HB2 H 1 2.169 0.000 A 71 PRO HB3 H 1 1.733 0.000 A 71 PRO HD2 H 1 3.530 0.000 A 71 PRO HD3 H 1 4.289 0.000 A 71 PRO HG2 H 1 1.920 0.000 A 71 PRO HG3 H 1 2.069 0.000 A 71 PRO CA C 13 59.838 0.000 A 71 PRO CB C 13 29.473 0.000 A 71 PRO CD C 13 48.204 0.000 A 71 PRO CG C 13 25.884 0.000 A 72 THR H H 1 8.235 0.000 A 72 THR HA H 1 3.597 0.000 A 72 THR HB H 1 3.785 0.000 A 72 THR HG2% H 1 1.043 0.000 A 72 THR CA C 13 63.671 0.000 A 72 THR CB C 13 65.826 0.000 A 72 THR CG2 C 13 19.820 0.000 A 72 THR N N 15 121.039 0.000 A 73 ALA H H 1 8.466 0.000 A 73 ALA HA H 1 4.143 0.000 A 73 ALA HB% H 1 1.344 0.000 A 73 ALA CA C 13 51.471 0.000 A 73 ALA CB C 13 16.095 0.000 A 73 ALA N N 15 120.196 0.000 A 74 SER H H 1 8.019 0.000 A 74 SER HA H 1 4.552 0.000 A 74 SER HB2 H 1 3.933 0.000 A 74 SER HB3 H 1 3.766 0.000 A 74 SER CA C 13 57.492 0.000 A 74 SER CB C 13 62.101 0.000 A 74 SER N N 15 112.214 0.000 A 75 VAL H H 1 7.222 0.000 A 75 VAL HA H 1 3.255 0.000 A 75 VAL HB H 1 1.975 0.000 A 75 VAL HG1% H 1 0.919 0.000 A 75 VAL HG2% H 1 0.919 0.000 A 75 VAL CA C 13 65.007 0.000 A 75 VAL CB C 13 29.350 0.000 A 75 VAL CG1 C 13 21.343 0.000 A 75 VAL N N 15 121.652 0.000 A 76 THR H H 1 8.107 0.000 A 76 THR HA H 1 3.963 0.000 A 76 THR HB H 1 4.052 0.000 A 76 THR HG2% H 1 1.168 0.000 A 76 THR CA C 13 63.804 0.000 A 76 THR CB C 13 65.567 0.000 A 76 THR CG2 C 13 19.576 0.000 A 76 THR N N 15 113.812 0.000 A 77 GLU H H 1 7.737 0.000 A 77 GLU HA H 1 4.033 0.000 A 77 GLU HB2 H 1 2.080 0.000 A 77 GLU HB3 H 1 1.804 0.000 A 77 GLU HG2 H 1 2.184 0.000 A 77 GLU HG3 H 1 2.274 0.000 A 77 GLU CA C 13 56.356 0.000 A 77 GLU CB C 13 27.032 0.000 A 77 GLU CG C 13 33.807 0.000 A 77 GLU N N 15 121.634 0.000 A 78 ILE H H 1 7.694 0.000 A 78 ILE HA H 1 3.611 0.000 A 78 ILE HB H 1 1.853 0.000 A 78 ILE HD1% H 1 0.733 0.000 A 78 ILE HG12 H 1 1.851 0.000 A 78 ILE HG13 H 1 0.998 0.000 A 78 ILE HG2% H 1 0.716 0.000 A 78 ILE CA C 13 63.089 0.000 A 78 ILE CB C 13 35.616 0.000 A 78 ILE CD1 C 13 11.584 0.000 A 78 ILE CG1 C 13 27.086 0.000 A 78 ILE CG2 C 13 14.178 0.000 A 78 ILE N N 15 119.383 0.000 A 79 GLN H H 1 8.319 0.000 A 79 GLN HA H 1 3.928 0.000 A 79 GLN HB2 H 1 1.960 0.000 A 79 GLN HB3 H 1 2.174 0.000 A 79 GLN HE21 H 1 7.349 0.000 A 79 GLN HE22 H 1 6.584 0.000 A 79 GLN HG2 H 1 2.458 0.000 A 79 GLN HG3 H 1 2.101 0.000 A 79 GLN CA C 13 56.668 0.000 A 79 GLN CB C 13 26.407 0.000 A 79 GLN CG C 13 32.747 0.000 A 79 GLN N N 15 116.015 0.000 A 79 GLN NE2 N 15 110.596 0.000 A 80 GLU H H 1 7.884 0.000 A 80 GLU HA H 1 4.067 0.000 A 80 GLU HB2 H 1 2.113 0.000 A 80 GLU HB3 H 1 2.024 0.000 A 80 GLU HG2 H 1 2.110 0.000 A 80 GLU HG3 H 1 2.226 0.000 A 80 GLU CA C 13 55.591 0.000 A 80 GLU CB C 13 27.429 0.000 A 80 GLU CG C 13 33.957 0.000 A 80 GLU N N 15 116.824 0.000 A 81 LYS H H 1 7.396 0.000 A 81 LYS HA H 1 4.194 0.000 A 81 LYS HB2 H 1 1.885 0.000 A 81 LYS HB3 H 1 1.766 0.000 A 81 LYS HD2 H 1 1.703 0.000 A 81 LYS HD3 H 1 1.676 0.000 A 81 LYS HE2 H 1 2.983 0.000 A 81 LYS HE3 H 1 2.983 0.000 A 81 LYS HG2 H 1 1.643 0.000 A 81 LYS HG3 H 1 1.482 0.000 A 81 LYS CA C 13 54.843 0.000 A 81 LYS CB C 13 32.776 0.000 A 81 LYS CD C 13 27.092 0.000 A 81 LYS CE C 13 39.754 0.000 A 81 LYS CG C 13 23.367 0.000 A 81 LYS N N 15 118.113 0.000 A 82 TRP H H 1 7.966 0.000 A 82 TRP HA H 1 4.112 0.000 A 82 TRP HB2 H 1 2.984 0.000 A 82 TRP HB3 H 1 2.984 0.000 A 82 TRP HD1 H 1 6.853 0.000 A 82 TRP HE1 H 1 11.412 0.000 A 82 TRP HE3 H 1 6.952 0.000 A 82 TRP HH2 H 1 6.572 0.000 A 82 TRP HZ2 H 1 6.976 0.000 A 82 TRP HZ3 H 1 6.465 0.000 A 82 TRP CA C 13 55.919 0.000 A 82 TRP CB C 13 27.453 0.000 A 82 TRP CD1 C 13 124.815 0.000 A 82 TRP CE3 C 13 117.365 0.000 A 82 TRP CH2 C 13 122.317 0.000 A 82 TRP CZ2 C 13 111.360 0.000 A 82 TRP CZ3 C 13 117.802 0.000 A 82 TRP N N 15 119.572 0.000 A 82 TRP NE1 N 15 133.335 0.000 A 83 HIS H H 1 8.566 0.000 A 83 HIS HA H 1 4.664 0.000 A 83 HIS HB2 H 1 2.689 0.000 A 83 HIS HB3 H 1 2.930 0.000 A 83 HIS HD2 H 1 7.211 0.000 A 83 HIS CA C 13 51.655 0.000 A 83 HIS CB C 13 28.017 0.000 A 83 HIS CD2 C 13 117.770 0.000 A 83 HIS N N 15 126.139 0.000 A 84 ASP H H 1 8.913 0.000 A 84 ASP HA H 1 4.999 0.000 A 84 ASP HB2 H 1 3.015 0.000 A 84 ASP HB3 H 1 2.754 0.000 A 84 ASP CA C 13 52.619 0.000 A 84 ASP CB C 13 39.741 0.000 A 84 ASP N N 15 125.751 0.000 A 85 SER H H 1 9.621 0.000 A 85 SER HA H 1 4.924 0.000 A 85 SER HB2 H 1 3.986 0.000 A 85 SER HB3 H 1 4.397 0.000 A 85 SER CA C 13 53.657 0.000 A 85 SER CB C 13 64.982 0.000 A 85 SER N N 15 116.332 0.000 A 86 ARG H H 1 8.695 0.000 A 86 ARG HA H 1 4.058 0.000 A 86 ARG HB2 H 1 1.801 0.000 A 86 ARG HB3 H 1 1.801 0.000 A 86 ARG HD2 H 1 3.159 0.000 A 86 ARG HD3 H 1 3.159 0.000 A 86 ARG HG2 H 1 1.634 0.000 A 86 ARG HG3 H 1 1.684 0.000 A 86 ARG CA C 13 55.847 0.000 A 86 ARG CB C 13 27.132 0.000 A 86 ARG CD C 13 40.698 0.000 A 86 ARG CG C 13 24.932 0.000 A 86 ARG N N 15 118.680 0.000 A 87 ARG H H 1 7.710 0.000 A 87 ARG HA H 1 4.276 0.000 A 87 ARG HB2 H 1 1.658 0.000 A 87 ARG HB3 H 1 1.528 0.000 A 87 ARG HD2 H 1 2.935 0.000 A 87 ARG HD3 H 1 3.070 0.000 A 87 ARG HG2 H 1 0.938 0.000 A 87 ARG HG3 H 1 0.902 0.000 A 87 ARG CA C 13 53.989 0.000 A 87 ARG CB C 13 29.582 0.000 A 87 ARG CD C 13 40.331 0.000 A 87 ARG CG C 13 24.446 0.000 A 87 ARG N N 15 117.323 0.000 A 88 TRP H H 1 7.374 0.000 A 88 TRP HA H 1 5.877 0.000 A 88 TRP HB2 H 1 3.216 0.000 A 88 TRP HB3 H 1 3.401 0.000 A 88 TRP HD1 H 1 7.007 0.000 A 88 TRP HE1 H 1 9.815 0.000 A 88 TRP HE3 H 1 7.553 0.000 A 88 TRP HH2 H 1 7.088 0.000 A 88 TRP HZ2 H 1 7.298 0.000 A 88 TRP HZ3 H 1 6.927 0.000 A 88 TRP CA C 13 52.411 0.000 A 88 TRP CB C 13 32.110 0.000 A 88 TRP CD1 C 13 126.021 0.000 A 88 TRP CE3 C 13 118.190 0.000 A 88 TRP CH2 C 13 122.035 0.000 A 88 TRP CZ2 C 13 112.277 0.000 A 88 TRP CZ3 C 13 118.810 0.000 A 88 TRP N N 15 115.976 0.000 A 88 TRP NE1 N 15 128.905 0.000 A 89 GLN H H 1 8.803 0.000 A 89 GLN HA H 1 5.527 0.000 A 89 GLN HB2 H 1 2.058 0.000 A 89 GLN HB3 H 1 2.058 0.000 A 89 GLN HE21 H 1 7.293 0.000 A 89 GLN HE22 H 1 5.727 0.000 A 89 GLN HG2 H 1 2.328 0.000 A 89 GLN HG3 H 1 2.407 0.000 A 89 GLN CA C 13 52.665 0.000 A 89 GLN CB C 13 29.926 0.000 A 89 GLN CG C 13 31.855 0.000 A 89 GLN N N 15 118.426 0.000 A 89 GLN NE2 N 15 110.338 0.000 A 90 LEU H H 1 8.518 0.000 A 90 LEU HA H 1 5.229 0.000 A 90 LEU HB2 H 1 0.489 0.000 A 90 LEU HB3 H 1 -0.345 0.000 A 90 LEU HD1% H 1 0.756 0.000 A 90 LEU HD2% H 1 -0.097 0.000 A 90 LEU HG H 1 0.760 0.000 A 90 LEU CA C 13 50.846 0.000 A 90 LEU CB C 13 39.965 0.000 A 90 LEU CD1 C 13 22.963 0.000 A 90 LEU CD2 C 13 22.335 0.000 A 90 LEU CG C 13 24.000 0.000 A 90 LEU N N 15 127.680 0.000 A 91 SER H H 1 8.979 0.000 A 91 SER HA H 1 4.639 0.000 A 91 SER HB2 H 1 3.715 0.000 A 91 SER HB3 H 1 3.715 0.000 A 91 SER CA C 13 54.241 0.000 A 91 SER CB C 13 63.274 0.000 A 91 SER N N 15 121.513 0.000 A 92 VAL H H 1 8.277 0.000 A 92 VAL HA H 1 4.116 0.000 A 92 VAL HB H 1 1.818 0.000 A 92 VAL HG1% H 1 0.863 0.000 A 92 VAL HG2% H 1 0.787 0.000 A 92 VAL CA C 13 59.889 0.000 A 92 VAL CB C 13 30.225 0.000 A 92 VAL CG1 C 13 19.142 0.000 A 92 VAL CG2 C 13 19.206 0.000 A 92 VAL N N 15 120.290 0.000 A 93 ALA H H 1 8.521 0.000 A 93 ALA HA H 1 4.179 0.000 A 93 ALA HB% H 1 1.132 0.000 A 93 ALA CA C 13 50.193 0.000 A 93 ALA CB C 13 16.620 0.000 A 93 ALA N N 15 130.076 0.000 A 94 THR H H 1 8.099 0.000 A 94 THR HA H 1 4.190 0.000 A 94 THR HB H 1 4.191 0.000 A 94 THR HG2% H 1 1.108 0.000 A 94 THR CA C 13 65.409 0.000 A 94 THR CB C 13 67.702 0.000 A 94 THR CG2 C 13 19.022 0.000 A 94 THR N N 15 113.705 0.000 A 95 GLU H H 1 7.896 0.000 A 95 GLU HA H 1 4.065 0.000 A 95 GLU HB2 H 1 1.974 0.000 A 95 GLU HB3 H 1 1.824 0.000 A 95 GLU HG2 H 1 1.820 0.000 A 95 GLU HG3 H 1 1.730 0.000 A 95 GLU CA C 13 55.727 0.000 A 95 GLU CB C 13 28.467 0.000 A 95 GLU CG C 13 35.740 0.000 A 95 GLU N N 15 127.166 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 26 LEU H A 27 GLN H 1.0 . 5.17 2 2 A 26 LEU H A 66 VAL H 1.0 . 4.01 3 3 A 26 LEU H A 25 ILE H 1.0 . 4.97 4 4 A 26 LEU H A 68 PHE H 1.0 . 5.29 5 5 A 26 LEU H A 26 LEU HB2 1.0 . 3.56 6 6 A 26 LEU H A 26 LEU HG 1.0 . 5.46 7 7 A 26 LEU H A 25 ILE HB 1.0 . 4.92 8 8 A 26 LEU H A 25 ILE HG12 1.0 . 4.88 9 8 A 26 LEU H A 25 ILE HG13 1.0 . 4.88 10 9 A 26 LEU H A 26 LEU HB3 1.0 . 3.89 11 10 A 26 LEU H A 25 ILE HG2% 1.0 . 3.69 12 11 A 26 LEU H A 26 LEU HD2% 1.0 . 4.77 13 12 A 24 MET HA A 93 ALA H 1.0 . 3.58 14 13 A 93 ALA H A 23 THR HB 1.0 . 4.72 15 14 A 36 SER HA A 39 TRP HE1 1.0 . 5.11 16 15 A 39 TRP HE1 A 57 MET HB3 1.0 . 4.61 17 16 A 93 ALA H A 94 THR H 1.0 . 4.78 18 17 A 87 ARG HD3 A 88 TRP HE1 1.0 . 4.92 19 18 A 88 TRP HE1 A 87 ARG HD2 1.0 . 4.55 20 19 A 88 TRP HE1 A 87 ARG HB3 1.0 . 4.70 21 20 A 88 TRP HE1 A 41 GLU HB2 1.0 . 4.53 22 21 A 88 TRP HE1 A 41 GLU HG3 1.0 . 4.62 23 22 A 82 TRP HE1 A 90 LEU H 1.0 . 3.67 24 23 A 90 LEU H A 91 SER H 1.0 . 5.50 25 24 A 90 LEU H A 82 TRP HD1 1.0 . 4.94 26 25 A 90 LEU H A 84 ASP HA 1.0 . 4.76 27 26 A 90 LEU H A 84 ASP HB2 1.0 . 5.50 28 27 A 90 LEU H A 89 GLN HG3 1.0 . 4.95 29 28 A 90 LEU H A 89 GLN HB2 1.0 . 3.85 30 28 A 90 LEU H A 89 GLN HB3 1.0 . 3.85 31 29 A 90 LEU H A 90 LEU HD1% 1.0 . 4.87 32 30 A 90 LEU H A 90 LEU HB2 1.0 . 3.61 33 31 A 90 LEU H A 90 LEU HB3 1.0 . 3.85 34 32 A 94 THR H A 95 GLU H 1.0 . 3.30 35 33 A 95 GLU H A 95 GLU HB3 1.0 . 3.64 36 34 A 95 GLU H A 94 THR HG2% 1.0 . 4.21 37 35 A 31 GLU H A 32 MET H 1.0 . 5.19 38 36 A 32 MET H A 65 GLY H 1.0 . 4.76 39 37 A 32 MET H A 64 LEU HA 1.0 . 4.38 40 38 A 32 MET H A 32 MET HB2 1.0 . 3.41 41 39 A 32 MET H A 31 GLU HB3 1.0 . 3.98 42 40 A 83 HIS H A 84 ASP H 1.0 . 5.06 43 41 A 83 HIS H A 45 GLN HE21 1.0 . 4.72 44 42 A 83 HIS H A 45 GLN HE22 1.0 . 3.99 45 43 A 83 HIS H A 82 TRP HA 1.0 . 2.87 46 44 A 83 HIS H A 83 HIS HB3 1.0 . 3.79 47 45 A 83 HIS H A 83 HIS HB2 1.0 . 3.70 48 46 A 83 HIS H A 45 GLN HB2 1.0 . 4.96 49 47 A 83 HIS H A 45 GLN HG3 1.0 . 5.50 50 48 A 83 HIS H A 46 LEU HD1% 1.0 . 5.50 51 48 A 83 HIS H A 46 LEU HD2% 1.0 . 5.50 52 49 A 24 MET H A 70 VAL HG1% 1.0 . 4.81 53 50 A 24 MET H A 24 MET HB3 1.0 . 3.74 54 51 A 25 ILE H A 24 MET H 1.0 . 5.50 55 52 A 24 MET H A 67 CYS HA 1.0 . 5.50 56 53 A 24 MET H A 67 CYS HB2 1.0 . 5.50 57 54 A 23 THR HB A 24 MET H 1.0 . 4.89 58 55 A 24 MET H A 70 VAL H 1.0 . 5.18 59 56 A 55 LYS H A 69 ASP H 1.0 . 4.35 60 57 A 55 LYS H A 54 VAL H 1.0 . 4.97 61 58 A 55 LYS H A 68 PHE HD% 1.0 . 4.95 62 59 A 55 LYS H A 69 ASP HA 1.0 . 5.50 63 60 A 55 LYS H A 70 VAL HA 1.0 . 4.92 64 61 A 55 LYS H A 68 PHE HB3 1.0 . 4.66 65 62 A 55 LYS H A 69 ASP HB2 1.0 . 4.64 66 62 A 55 LYS H A 69 ASP HB3 1.0 . 4.64 67 63 A 55 LYS H A 55 LYS HB2 1.0 . 3.65 68 64 A 55 LYS H A 70 VAL HG2% 1.0 . 5.38 69 65 A 82 TRP HE1 A 84 ASP H 1.0 . 4.46 70 66 A 84 ASP H A 85 SER H 1.0 . 4.92 71 67 A 84 ASP HB2 A 84 ASP H 1.0 . 3.63 72 68 A 84 ASP H A 84 ASP HB3 1.0 . 3.27 73 69 A 27 GLN H A 26 LEU HB3 1.0 . 4.61 74 70 A 27 GLN H A 88 TRP HE3 1.0 . 5.43 75 71 A 27 GLN H A 26 LEU HA 1.0 . 2.91 76 72 A 27 GLN H A 27 GLN HG3 1.0 . 4.32 77 73 A 27 GLN H A 27 GLN HB2 1.0 . 3.47 78 74 A 27 GLN H A 26 LEU HG 1.0 . 4.85 79 75 A 58 VAL H A 68 PHE HA 1.0 . 4.73 80 76 A 58 VAL H A 68 PHE HB2 1.0 . 4.41 81 77 A 58 VAL H A 58 VAL HB 1.0 . 3.84 82 78 A 58 VAL H A 57 MET HG2 1.0 . 3.86 83 79 A 58 VAL H A 57 MET HB2 1.0 . 4.72 84 80 A 58 VAL H A 58 VAL HG2% 1.0 . 3.57 85 81 A 58 VAL H A 35 ILE HD1% 1.0 . 5.50 86 82 A 68 PHE HD% A 58 VAL H 1.0 . 5.50 87 83 A 27 GLN H A 28 CYS H 1.0 . 5.50 88 84 A 65 GLY H A 28 CYS H 1.0 . 5.33 89 85 A 28 CYS H A 60 LEU HD2% 1.0 . 5.50 90 86 A 28 CYS H A 27 GLN HA 1.0 . 3.30 91 87 A 28 CYS H A 65 GLY HA3 1.0 . 4.41 92 88 A 28 CYS H A 27 GLN HB3 1.0 . 4.73 93 89 A 3 ILE H A 3 ILE HB 1.0 . 4.09 94 90 A 3 ILE H A 3 ILE HG12 1.0 . 4.88 95 91 A 5 GLY H A 6 ALA H 1.0 . 4.23 96 92 A 6 ALA H A 5 GLY HA2 1.0 . 3.41 97 92 A 6 ALA H A 5 GLY HA3 1.0 . 3.41 98 93 A 6 ALA H A 6 ALA HB% 1.0 . 3.79 99 94 A 24 MET H A 23 THR H 1.0 . 4.81 100 95 A 24 MET HA A 23 THR H 1.0 . 5.50 101 96 A 23 THR HB A 23 THR H 1.0 . 3.27 102 97 A 23 THR H A 93 ALA HB% 1.0 . 5.27 103 98 A 23 THR H A 22 VAL HG1% 1.0 . 3.86 104 98 A 23 THR H A 22 VAL HG2% 1.0 . 3.86 105 99 A 23 THR H A 21 PHE HB2 1.0 . 5.30 106 99 A 23 THR H A 21 PHE HB3 1.0 . 5.30 107 100 A 8 SER HB2 A 10 ASP H 1.0 . 5.14 108 101 A 10 ASP H A 10 ASP HB2 1.0 . 3.41 109 102 A 10 ASP H A 9 VAL HG1% 1.0 . 4.32 110 102 A 10 ASP H A 9 VAL HG2% 1.0 . 4.32 111 103 A 35 ILE H A 37 TYR H 1.0 . 5.17 112 104 A 37 TYR H A 36 SER H 1.0 . 3.43 113 105 A 37 TYR H A 39 TRP H 1.0 . 4.49 114 106 A 37 TYR H A 37 TYR HE% 1.0 . 5.31 115 107 A 37 TYR H A 35 ILE HA 1.0 . 3.82 116 108 A 37 TYR H A 37 TYR HB3 1.0 . 3.09 117 109 A 37 TYR H A 40 LYS HB2 1.0 . 5.31 118 109 A 37 TYR H A 40 LYS HB3 1.0 . 5.31 119 110 A 37 TYR H A 38 ALA HB% 1.0 . 5.18 120 111 A 37 TYR H A 35 ILE HG2% 1.0 . 5.50 121 112 A 61 LYS H A 62 GLY H 1.0 . 5.50 122 113 A 61 LYS H A 61 LYS HB2 1.0 . 3.06 123 114 A 61 LYS H A 60 LEU HB2 1.0 . 3.44 124 115 A 61 LYS H A 60 LEU HB3 1.0 . 3.70 125 116 A 35 ILE H A 34 ASN HB3 1.0 . 3.40 126 117 A 35 ILE H A 35 ILE HB 1.0 . 3.19 127 118 A 73 ALA HA A 75 VAL H 1.0 . 4.55 128 119 A 77 GLU H A 79 GLN H 1.0 . 5.03 129 120 A 77 GLU H A 76 THR H 1.0 . 3.34 130 121 A 77 GLU H A 74 SER HA 1.0 . 4.20 131 122 A 77 GLU H A 76 THR HG2% 1.0 . 4.57 132 123 A 77 GLU H A 78 ILE HG13 1.0 . 5.38 133 124 A 77 GLU H A 78 ILE HD1% 1.0 . 5.18 134 125 A 77 GLU H A 75 VAL HA 1.0 . 5.23 135 126 A 77 GLU H A 74 SER HB3 1.0 . 5.50 136 127 A 75 VAL H A 74 SER HB2 1.0 . 4.52 137 128 A 75 VAL H A 74 SER HB3 1.0 . 4.23 138 129 A 75 VAL H A 72 THR HA 1.0 . 4.26 139 130 A 75 VAL H A 75 VAL HB 1.0 . 3.06 140 131 A 25 ILE H A 91 SER H 1.0 . 3.92 141 132 A 91 SER H A 90 LEU HA 1.0 . 2.90 142 133 A 91 SER H A 91 SER HB2 1.0 . 3.89 143 133 A 91 SER H A 91 SER HB3 1.0 . 3.89 144 134 A 25 ILE HB A 91 SER H 1.0 . 4.20 145 135 A 91 SER H A 90 LEU HB3 1.0 . 4.60 146 136 A 10 ASP HB2 A 11 GLN H 1.0 . 5.00 147 137 A 11 GLN H A 11 GLN HG2 1.0 . 4.40 148 137 A 11 GLN H A 11 GLN HG3 1.0 . 4.40 149 138 A 48 GLU H A 50 ILE H 1.0 . 5.45 150 139 A 50 ILE H A 50 ILE HB 1.0 . 3.01 151 140 A 50 ILE H A 43 LYS HG2 1.0 . 4.62 152 141 A 50 ILE H A 43 LYS HG3 1.0 . 4.23 153 142 A 50 ILE H A 50 ILE HG13 1.0 . 4.60 154 143 A 29 SER H A 30 ILE HG12 1.0 . 5.50 155 143 A 29 SER H A 30 ILE HG13 1.0 . 5.50 156 144 A 13 SER H A 13 SER HB3 1.0 . 3.88 157 145 A 29 SER H A 28 CYS HA 1.0 . 2.96 158 146 A 29 SER H A 29 SER HB2 1.0 . 3.23 159 146 A 29 SER H A 29 SER HB3 1.0 . 3.23 160 147 A 87 ARG HD3 A 29 SER H 1.0 . 4.55 161 148 A 29 SER H A 28 CYS HB2 1.0 . 4.24 162 148 A 29 SER H A 28 CYS HB3 1.0 . 4.24 163 149 A 29 SER H A 87 ARG HG3 1.0 . 4.38 164 150 A 29 SER H A 30 ILE HG2% 1.0 . 4.94 165 151 A 13 SER H A 14 LEU H 1.0 . 4.38 166 152 A 13 SER H A 16 ASN HD22 1.0 . 5.21 167 153 A 13 SER H A 16 ASN HB2 1.0 . 3.47 168 154 A 60 LEU H A 66 VAL HB 1.0 . 5.50 169 155 A 72 THR H A 21 PHE HB2 1.0 . 5.46 170 155 A 21 PHE HB3 A 72 THR H 1.0 . 5.46 171 156 A 72 THR H A 21 PHE HD% 1.0 . 5.50 172 157 A 12 ARG H A 12 ARG HD2 1.0 . 5.15 173 157 A 12 ARG H A 12 ARG HD3 1.0 . 5.15 174 158 A 12 ARG H A 11 GLN HG2 1.0 . 4.89 175 158 A 11 GLN HG3 A 12 ARG H 1.0 . 4.89 176 159 A 12 ARG H A 11 GLN HB2 1.0 . 4.75 177 160 A 8 SER HB2 A 9 VAL H 1.0 . 4.00 178 161 A 9 VAL H A 9 VAL HB 1.0 . 3.56 179 162 A 9 VAL H A 9 VAL HG1% 1.0 . 3.67 180 162 A 9 VAL HG2% A 9 VAL H 1.0 . 3.67 181 163 A 72 THR H A 22 VAL H 1.0 . 4.62 182 164 A 72 THR H A 73 ALA H 1.0 . 3.85 183 165 A 72 THR H A 72 THR HB 1.0 . 3.47 184 166 A 72 THR H A 22 VAL HG1% 1.0 . 5.50 185 166 A 22 VAL HG2% A 72 THR H 1.0 . 5.50 186 167 A 72 THR H A 74 SER H 1.0 . 4.39 187 168 A 72 THR H A 21 PHE H 1.0 . 5.09 188 169 A 12 ARG H A 11 GLN HA 1.0 . 2.92 189 170 A 12 ARG H A 11 GLN HB3 1.0 . 4.40 190 171 A 12 ARG H A 12 ARG HB2 1.0 . 3.21 191 172 A 12 ARG H A 12 ARG HG2 1.0 . 3.63 192 173 A 60 LEU H A 59 PHE HB2 1.0 . 4.56 193 174 A 60 LEU HB2 A 60 LEU H 1.0 . 4.04 194 175 A 60 LEU HB3 A 60 LEU H 1.0 . 3.21 195 176 A 60 LEU H A 67 CYS H 1.0 . 4.85 196 177 A 60 LEU H A 59 PHE HD% 1.0 . 4.24 197 178 A 60 LEU H A 59 PHE HB3 1.0 . 4.03 198 179 A 44 GLU H A 46 LEU H 1.0 . 4.80 199 180 A 44 GLU H A 43 LYS H 1.0 . 3.46 200 181 A 15 ILE H A 16 ASN H 1.0 . 4.43 201 182 A 44 GLU H A 45 GLN H 1.0 . 3.42 202 183 A 16 ASN H A 16 ASN HD21 1.0 . 5.50 203 184 A 44 GLU H A 44 GLU HB2 1.0 . 3.05 204 185 A 44 GLU H A 44 GLU HB3 1.0 . 3.32 205 186 A 44 GLU H A 43 LYS HB3 1.0 . 3.61 206 187 A 44 GLU H A 43 LYS HB2 1.0 . 4.15 207 188 A 16 ASN H A 15 ILE HG12 1.0 . 4.73 208 189 A 69 ASP HA A 22 VAL H 1.0 . 5.02 209 190 A 70 VAL HA A 22 VAL H 1.0 . 5.50 210 191 A 23 THR H A 22 VAL H 1.0 . 5.42 211 192 A 22 VAL H A 21 PHE H 1.0 . 5.50 212 193 A 72 THR HA A 22 VAL H 1.0 . 5.50 213 194 A 22 VAL H A 21 PHE HB2 1.0 . 3.61 214 194 A 21 PHE HB3 A 22 VAL H 1.0 . 3.61 215 195 A 22 VAL H A 69 ASP HB2 1.0 . 5.26 216 195 A 69 ASP HB3 A 22 VAL H 1.0 . 5.26 217 196 A 22 VAL H A 22 VAL HG1% 1.0 . 3.85 218 196 A 22 VAL HG2% A 22 VAL H 1.0 . 3.85 219 197 A 36 SER H A 38 ALA H 1.0 . 5.29 220 198 A 37 TYR H A 38 ALA H 1.0 . 3.53 221 199 A 39 TRP H A 38 ALA H 1.0 . 3.22 222 200 A 36 SER HA A 38 ALA H 1.0 . 4.84 223 201 A 37 TYR HB3 A 38 ALA H 1.0 . 3.75 224 202 A 38 ALA H A 32 MET HE% 1.0 . 4.72 225 203 A 3 ILE HA A 4 SER H 1.0 . 3.39 226 204 A 4 SER H A 4 SER HB2 1.0 . 3.98 227 205 A 3 ILE HB A 4 SER H 1.0 . 4.92 228 206 A 59 PHE HD% A 59 PHE H 1.0 . 4.29 229 207 A 59 PHE HB2 A 59 PHE H 1.0 . 3.18 230 208 A 58 VAL HG2% A 59 PHE H 1.0 . 3.85 231 209 A 59 PHE H A 66 VAL HG2% 1.0 . 5.50 232 210 A 3 ILE H A 4 SER H 1.0 . 3.84 233 211 A 59 PHE H A 66 VAL HA 1.0 . 5.50 234 212 A 18 ASN HA A 19 VAL H 1.0 . 3.37 235 213 A 53 LYS H A 53 LYS HE2 1.0 . 5.50 236 213 A 53 LYS H A 53 LYS HE3 1.0 . 5.50 237 214 A 53 LYS H A 53 LYS HB2 1.0 . 3.22 238 214 A 53 LYS H A 53 LYS HB3 1.0 . 3.22 239 215 A 53 LYS H A 50 ILE HD1% 1.0 . 5.11 240 216 A 73 ALA H A 74 SER H 1.0 . 3.29 241 217 A 73 ALA H A 71 PRO HB2 1.0 . 4.30 242 218 A 92 VAL H A 91 SER HB2 1.0 . 3.15 243 218 A 91 SER HB3 A 92 VAL H 1.0 . 3.15 244 219 A 75 VAL H A 73 ALA H 1.0 . 4.66 245 220 A 73 ALA H A 72 THR HB 1.0 . 3.26 246 221 A 73 ALA H A 71 PRO HB3 1.0 . 4.18 247 222 A 15 ILE H A 16 ASN HA 1.0 . 5.29 248 223 A 13 SER HB3 A 15 ILE H 1.0 . 5.50 249 224 A 15 ILE H A 14 LEU HB3 1.0 . 4.21 250 225 A 35 ILE HD1% A 36 SER H 1.0 . 5.50 251 226 A 35 ILE H A 36 SER H 1.0 . 3.56 252 227 A 36 SER H A 37 TYR HD% 1.0 . 5.02 253 228 A 36 SER H A 36 SER HB2 1.0 . 3.09 254 228 A 36 SER H A 36 SER HB3 1.0 . 3.09 255 229 A 36 SER H A 34 ASN HB3 1.0 . 4.01 256 230 A 50 ILE H A 51 ASP H 1.0 . 3.46 257 231 A 51 ASP H A 51 ASP HB3 1.0 . 3.48 258 232 A 51 ASP H A 39 TRP HZ3 1.0 . 5.13 259 233 A 83 HIS H A 82 TRP H 1.0 . 4.63 260 234 A 82 TRP H A 79 GLN HA 1.0 . 4.24 261 235 A 82 TRP H A 78 ILE HG2% 1.0 . 5.26 262 236 A 68 PHE H A 69 ASP H 1.0 . 5.10 263 237 A 69 ASP H A 57 MET HA 1.0 . 4.69 264 238 A 69 ASP H A 69 ASP HB2 1.0 . 3.38 265 238 A 69 ASP H A 69 ASP HB3 1.0 . 3.38 266 239 A 69 ASP H A 54 VAL HG1% 1.0 . 4.93 267 240 A 82 TRP H A 78 ILE HA 1.0 . 5.41 268 241 A 82 TRP H A 82 TRP HB2 1.0 . 2.92 269 241 A 82 TRP H A 82 TRP HB3 1.0 . 2.92 270 242 A 82 TRP H A 46 LEU HD1% 1.0 . 4.51 271 242 A 46 LEU HD2% A 82 TRP H 1.0 . 4.51 272 243 A 31 GLU H A 64 LEU HA 1.0 . 5.35 273 244 A 31 GLU H A 31 GLU HG3 1.0 . 4.55 274 245 A 31 GLU H A 30 ILE HB 1.0 . 2.82 275 246 A 40 LYS H A 41 GLU H 1.0 . 3.59 276 247 A 41 GLU H A 42 LEU H 1.0 . 3.38 277 248 A 39 TRP H A 41 GLU H 1.0 . 5.33 278 249 A 41 GLU H A 40 LYS HB2 1.0 . 3.32 279 249 A 40 LYS HB3 A 41 GLU H 1.0 . 3.32 280 250 A 41 GLU HB2 A 41 GLU H 1.0 . 3.31 281 251 A 41 GLU H A 41 GLU HB3 1.0 . 3.36 282 252 A 79 GLN H A 78 ILE H 1.0 . 3.43 283 253 A 74 SER HA A 78 ILE H 1.0 . 5.26 284 254 A 75 VAL HA A 78 ILE H 1.0 . 4.10 285 255 A 78 ILE H A 78 ILE HB 1.0 . 2.82 286 256 A 78 ILE HG13 A 78 ILE H 1.0 . 3.81 287 257 A 78 ILE HD1% A 78 ILE H 1.0 . 3.84 288 258 A 41 GLU H A 42 LEU HD1% 1.0 . 5.50 289 259 A 41 GLU H A 39 TRP HB2 1.0 . 5.50 290 260 A 85 SER HB3 A 86 ARG H 1.0 . 3.82 291 261 A 86 ARG H A 86 ARG HB2 1.0 . 3.74 292 261 A 86 ARG H A 86 ARG HB3 1.0 . 3.74 293 262 A 86 ARG H A 88 TRP H 1.0 . 5.50 294 263 A 86 ARG H A 85 SER HB2 1.0 . 4.08 295 264 A 48 GLU H A 50 ILE HG2% 1.0 . 5.50 296 265 A 48 GLU H A 47 GLY H 1.0 . 4.24 297 266 A 48 GLU H A 47 GLY HA3 1.0 . 3.28 298 267 A 48 GLU H A 48 GLU HA 1.0 . 2.89 299 268 A 48 GLU H A 48 GLU HB2 1.0 . 2.94 300 269 A 48 GLU H A 43 LYS HB2 1.0 . 4.76 301 270 A 82 TRP HZ2 A 89 GLN H 1.0 . 5.50 302 271 A 27 GLN H A 89 GLN H 1.0 . 3.73 303 272 A 90 LEU H A 89 GLN H 1.0 . 4.55 304 273 A 88 TRP HE3 A 89 GLN H 1.0 . 4.82 305 274 A 88 TRP H A 89 GLN H 1.0 . 5.17 306 275 A 89 GLN H A 88 TRP HA 1.0 . 2.92 307 276 A 28 CYS HA A 89 GLN H 1.0 . 4.56 308 277 A 89 GLN H A 88 TRP HB3 1.0 . 4.15 309 278 A 89 GLN H A 88 TRP HB2 1.0 . 4.51 310 279 A 89 GLN H A 89 GLN HB2 1.0 . 3.48 311 279 A 89 GLN HB3 A 89 GLN H 1.0 . 3.48 312 280 A 90 LEU HD1% A 89 GLN H 1.0 . 4.35 313 281 A 58 VAL H A 57 MET H 1.0 . 4.96 314 282 A 57 MET H A 56 GLY H 1.0 . 4.02 315 283 A 57 MET H A 39 TRP HZ2 1.0 . 5.50 316 284 A 57 MET H A 55 LYS HA 1.0 . 5.21 317 285 A 57 MET H A 56 GLY HA2 1.0 . 3.44 318 285 A 57 MET H A 56 GLY HA3 1.0 . 3.44 319 286 A 68 PHE HB2 A 57 MET H 1.0 . 4.86 320 287 A 57 MET HB3 A 57 MET H 1.0 . 3.16 321 288 A 57 MET HB2 A 57 MET H 1.0 . 3.22 322 289 A 58 VAL HG2% A 57 MET H 1.0 . 5.50 323 290 A 79 GLN H A 81 LYS H 1.0 . 5.42 324 291 A 82 TRP H A 81 LYS H 1.0 . 2.98 325 292 A 78 ILE HA A 81 LYS H 1.0 . 4.30 326 293 A 81 LYS H A 82 TRP HB2 1.0 . 4.26 327 293 A 82 TRP HB3 A 81 LYS H 1.0 . 4.26 328 294 A 81 LYS H A 81 LYS HB3 1.0 . 3.17 329 295 A 81 LYS H A 46 LEU HD1% 1.0 . 4.97 330 295 A 46 LEU HD2% A 81 LYS H 1.0 . 4.97 331 296 A 78 ILE HG2% A 81 LYS H 1.0 . 5.50 332 297 A 7 THR HA A 8 SER H 1.0 . 3.29 333 298 A 8 SER HB2 A 8 SER H 1.0 . 3.67 334 299 A 8 SER H A 7 THR HG2% 1.0 . 5.50 335 300 A 29 SER H A 30 ILE H 1.0 . 3.32 336 301 A 31 GLU H A 30 ILE H 1.0 . 4.60 337 302 A 30 ILE H A 29 SER HB2 1.0 . 4.31 338 302 A 29 SER HB3 A 30 ILE H 1.0 . 4.31 339 303 A 30 ILE H A 28 CYS HB2 1.0 . 3.93 340 303 A 28 CYS HB3 A 30 ILE H 1.0 . 3.93 341 304 A 30 ILE HB A 30 ILE H 1.0 . 4.02 342 305 A 30 ILE H A 30 ILE HG12 1.0 . 3.87 343 305 A 30 ILE HG13 A 30 ILE H 1.0 . 3.87 344 306 A 87 ARG HG3 A 30 ILE H 1.0 . 5.20 345 307 A 30 ILE HG2% A 30 ILE H 1.0 . 3.41 346 308 A 25 ILE H A 67 CYS HA 1.0 . 5.50 347 309 A 25 ILE H A 26 LEU HA 1.0 . 5.02 348 310 A 25 ILE H A 92 VAL HA 1.0 . 4.09 349 311 A 25 ILE H A 24 MET HB2 1.0 . 3.47 350 312 A 25 ILE H A 24 MET HB3 1.0 . 4.13 351 313 A 46 LEU H A 43 LYS H 1.0 . 4.89 352 314 A 43 LYS H A 39 TRP HE3 1.0 . 5.17 353 315 A 43 LYS H A 41 GLU H 1.0 . 5.06 354 316 A 43 LYS H A 43 LYS HE2 1.0 . 5.50 355 317 A 43 LYS H A 43 LYS HB3 1.0 . 3.12 356 318 A 43 LYS HG3 A 43 LYS H 1.0 . 4.07 357 319 A 43 LYS H A 42 LEU HB2 1.0 . 4.03 358 320 A 43 LYS H A 50 ILE HG2% 1.0 . 4.55 359 321 A 87 ARG H A 88 TRP HD1 1.0 . 5.50 360 322 A 86 ARG H A 87 ARG H 1.0 . 3.82 361 323 A 88 TRP H A 87 ARG H 1.0 . 3.10 362 324 A 87 ARG H A 85 SER HA 1.0 . 5.10 363 325 A 88 TRP HB2 A 87 ARG H 1.0 . 5.17 364 326 A 87 ARG H A 87 ARG HB2 1.0 . 3.62 365 327 A 87 ARG HB3 A 87 ARG H 1.0 . 3.33 366 328 A 38 ALA H A 40 LYS H 1.0 . 4.67 367 329 A 39 TRP H A 40 LYS H 1.0 . 3.51 368 330 A 40 LYS H A 39 TRP HB2 1.0 . 3.47 369 331 A 40 LYS H A 40 LYS HB2 1.0 . 2.83 370 331 A 40 LYS HB3 A 40 LYS H 1.0 . 2.83 371 332 A 40 LYS H A 40 LYS HG2 1.0 . 4.51 372 333 A 43 LYS H A 42 LEU H 1.0 . 3.65 373 334 A 42 LEU H A 82 TRP HZ3 1.0 . 5.40 374 335 A 42 LEU H A 42 LEU HB3 1.0 . 3.25 375 336 A 42 LEU H A 42 LEU HB2 1.0 . 3.77 376 337 A 42 LEU H A 41 GLU HB3 1.0 . 3.63 377 338 A 42 LEU H A 42 LEU HD2% 1.0 . 4.24 378 339 A 87 ARG HD2 A 87 ARG H 1.0 . 5.50 379 340 A 68 PHE H A 67 CYS H 1.0 . 5.23 380 341 A 67 CYS H A 60 LEU HG 1.0 . 4.71 381 342 A 66 VAL H A 67 CYS H 1.0 . 4.48 382 343 A 67 CYS H A 59 PHE HA 1.0 . 4.28 383 344 A 67 CYS H A 25 ILE HA 1.0 . 5.50 384 345 A 79 GLN H A 80 GLU H 1.0 . 3.34 385 346 A 78 ILE H A 80 GLU H 1.0 . 4.21 386 347 A 81 LYS H A 80 GLU H 1.0 . 3.20 387 348 A 78 ILE HA A 80 GLU H 1.0 . 5.09 388 349 A 80 GLU H A 80 GLU HB2 1.0 . 2.94 389 350 A 68 PHE HD% A 67 CYS H 1.0 . 5.42 390 351 A 54 VAL H A 53 LYS H 1.0 . 3.01 391 352 A 54 VAL H A 39 TRP HZ3 1.0 . 5.50 392 353 A 54 VAL H A 54 VAL HG1% 1.0 . 4.42 393 354 A 54 VAL H A 70 VAL HG2% 1.0 . 5.50 394 355 A 35 ILE H A 34 ASN HD21 1.0 . 5.50 395 356 A 85 SER H A 87 ARG H 1.0 . 5.14 396 357 A 85 SER H A 88 TRP H 1.0 . 3.87 397 358 A 85 SER H A 89 GLN HA 1.0 . 4.58 398 359 A 84 ASP HA A 85 SER H 1.0 . 2.98 399 360 A 85 SER H A 85 SER HB2 1.0 . 4.12 400 361 A 85 SER H A 88 TRP HB2 1.0 . 5.00 401 362 A 84 ASP HB2 A 85 SER H 1.0 . 3.70 402 363 A 89 GLN HG3 A 85 SER H 1.0 . 5.50 403 364 A 82 TRP HE1 A 85 SER H 1.0 . 4.65 404 365 A 85 SER H A 86 ARG H 1.0 . 5.50 405 366 A 36 SER H A 34 ASN HD21 1.0 . 5.41 406 367 A 34 ASN HD21 A 34 ASN HB2 1.0 . 3.47 407 368 A 34 ASN HD21 A 33 PRO HG2 1.0 . 4.94 408 369 A 34 ASN HD22 A 36 SER HB2 1.0 . 5.50 409 369 A 36 SER HB3 A 34 ASN HD22 1.0 . 5.50 410 370 A 34 ASN HB2 A 34 ASN HD22 1.0 . 4.01 411 371 A 33 PRO HG2 A 34 ASN HD22 1.0 . 5.16 412 372 A 36 SER H A 34 ASN HD22 1.0 . 5.50 413 373 A 79 GLN H A 78 ILE HG13 1.0 . 5.06 414 374 A 79 GLN H A 75 VAL HA 1.0 . 4.77 415 375 A 79 GLN H A 79 GLN HG2 1.0 . 3.42 416 376 A 79 GLN H A 79 GLN HB3 1.0 . 3.17 417 377 A 79 GLN H A 78 ILE HB 1.0 . 3.31 418 378 A 79 GLN H A 78 ILE HG2% 1.0 . 3.99 419 379 A 68 PHE H A 24 MET H 1.0 . 3.61 420 380 A 68 PHE H A 67 CYS HB2 1.0 . 3.57 421 381 A 16 ASN HD21 A 17 SER H 1.0 . 5.20 422 382 A 68 PHE H A 23 THR HA 1.0 . 4.73 423 383 A 88 TRP H A 89 GLN HA 1.0 . 5.50 424 384 A 88 TRP H A 88 TRP HB2 1.0 . 3.67 425 385 A 87 ARG HG3 A 88 TRP H 1.0 . 5.02 426 386 A 88 TRP H A 85 SER HB2 1.0 . 5.28 427 387 A 14 LEU H A 14 LEU HD2% 1.0 . 4.80 428 388 A 39 TRP H A 40 LYS HB2 1.0 . 4.87 429 388 A 39 TRP H A 40 LYS HB3 1.0 . 4.87 430 389 A 39 TRP H A 35 ILE HG2% 1.0 . 5.50 431 390 A 14 LEU H A 15 ILE H 1.0 . 5.00 432 391 A 16 ASN HA A 17 SER H 1.0 . 3.36 433 392 A 39 TRP H A 39 TRP HD1 1.0 . 4.34 434 393 A 39 TRP H A 39 TRP HB2 1.0 . 3.24 435 394 A 39 TRP H A 42 LEU HD1% 1.0 . 5.50 436 395 A 13 SER HB3 A 14 LEU H 1.0 . 3.11 437 396 A 17 SER H A 15 ILE HB 1.0 . 4.35 438 397 A 62 GLY H A 63 LYS H 1.0 . 4.63 439 398 A 62 GLY H A 61 LYS HB2 1.0 . 5.50 440 399 A 46 LEU H A 45 GLN H 1.0 . 2.94 441 400 A 45 GLN HB2 A 46 LEU H 1.0 . 4.10 442 401 A 46 LEU H A 46 LEU HB3 1.0 . 3.02 443 402 A 46 LEU H A 46 LEU HB2 1.0 . 3.87 444 403 A 46 LEU H A 46 LEU HD1% 1.0 . 4.43 445 403 A 46 LEU HD2% A 46 LEU H 1.0 . 4.43 446 404 A 48 GLU H A 49 GLU H 1.0 . 3.53 447 405 A 50 ILE H A 49 GLU H 1.0 . 3.25 448 406 A 49 GLU H A 49 GLU HB2 1.0 . 2.96 449 407 A 50 ILE HG2% A 49 GLU H 1.0 . 5.04 450 408 A 70 VAL H A 22 VAL HB 1.0 . 4.95 451 409 A 70 VAL H A 22 VAL H 1.0 . 3.62 452 410 A 70 VAL H A 21 PHE HD% 1.0 . 4.92 453 411 A 70 VAL H A 68 PHE HD% 1.0 . 5.50 454 412 A 70 VAL H A 22 VAL HA 1.0 . 4.97 455 413 A 70 VAL H A 21 PHE HB2 1.0 . 4.36 456 413 A 70 VAL H A 21 PHE HB3 1.0 . 4.36 457 414 A 70 VAL H A 69 ASP HB2 1.0 . 3.81 458 414 A 70 VAL H A 69 ASP HB3 1.0 . 3.81 459 415 A 70 VAL H A 70 VAL HB 1.0 . 4.18 460 416 A 75 VAL H A 76 THR H 1.0 . 3.41 461 417 A 76 THR H A 75 VAL HB 1.0 . 3.20 462 418 A 94 THR H A 93 ALA HB% 1.0 . 3.60 463 419 A 94 THR H A 93 ALA HA 1.0 . 2.79 464 420 A 43 LYS H A 45 GLN H 1.0 . 5.07 465 421 A 45 GLN H A 82 TRP HZ3 1.0 . 5.44 466 422 A 45 GLN H A 45 GLN HG2 1.0 . 3.45 467 423 A 45 GLN H A 44 GLU HB2 1.0 . 3.60 468 424 A 45 GLN H A 45 GLN HB3 1.0 . 3.10 469 425 A 45 GLN H A 42 LEU HD2% 1.0 . 5.50 470 426 A 53 LYS H A 52 SER H 1.0 . 3.16 471 427 A 52 SER H A 52 SER HB2 1.0 . 3.26 472 428 A 52 SER H A 51 ASP HB2 1.0 . 4.63 473 429 A 51 ASP HB3 A 52 SER H 1.0 . 4.67 474 430 A 52 SER H A 53 LYS HB2 1.0 . 4.79 475 430 A 53 LYS HB3 A 52 SER H 1.0 . 4.79 476 431 A 50 ILE HD1% A 52 SER H 1.0 . 5.40 477 432 A 54 VAL H A 52 SER H 1.0 . 4.47 478 433 A 13 SER H A 16 ASN HD21 1.0 . 5.50 479 434 A 16 ASN HD21 A 16 ASN HA 1.0 . 4.93 480 435 A 16 ASN HB2 A 16 ASN HD21 1.0 . 4.08 481 436 A 16 ASN HD22 A 17 SER H 1.0 . 5.50 482 437 A 18 ASN HA A 18 ASN HD21 1.0 . 4.71 483 438 A 18 ASN HD21 A 18 ASN HB3 1.0 . 3.39 484 439 A 18 ASN HD21 A 15 ILE HG2% 1.0 . 5.38 485 440 A 11 GLN HE22 A 11 GLN HG2 1.0 . 3.99 486 440 A 11 GLN HG3 A 11 GLN HE22 1.0 . 3.99 487 441 A 11 GLN HE22 A 14 LEU HD1% 1.0 . 5.35 488 442 A 18 ASN HA A 18 ASN HD22 1.0 . 5.29 489 443 A 14 LEU HD1% A 11 GLN HE21 1.0 . 5.07 490 444 A 45 GLN HE21 A 82 TRP HA 1.0 . 5.50 491 445 A 45 GLN HE21 A 45 GLN HB2 1.0 . 3.71 492 446 A 21 PHE H A 20 GLY H 1.0 . 3.59 493 447 A 21 PHE HD% A 20 GLY H 1.0 . 5.50 494 448 A 20 GLY H A 71 PRO HA 1.0 . 5.41 495 449 A 20 GLY H A 21 PHE HB2 1.0 . 5.50 496 449 A 21 PHE HB3 A 20 GLY H 1.0 . 5.50 497 450 A 20 GLY H A 19 VAL HB 1.0 . 4.23 498 451 A 20 GLY H A 19 VAL HG2% 1.0 . 3.99 499 452 A 77 GLU H A 74 SER H 1.0 . 5.50 500 453 A 75 VAL H A 74 SER H 1.0 . 3.01 501 454 A 74 SER HB2 A 74 SER H 1.0 . 3.64 502 455 A 74 SER HB3 A 74 SER H 1.0 . 3.20 503 456 A 72 THR HA A 74 SER H 1.0 . 4.33 504 457 A 75 VAL HA A 74 SER H 1.0 . 5.12 505 458 A 74 SER H A 75 VAL HG1% 1.0 . 4.57 506 458 A 74 SER H A 75 VAL HG2% 1.0 . 4.57 507 459 A 66 VAL H A 65 GLY H 1.0 . 4.99 508 460 A 66 VAL H A 65 GLY HA2 1.0 . 3.50 509 461 A 66 VAL H A 65 GLY HA3 1.0 . 3.43 510 462 A 66 VAL H A 66 VAL HB 1.0 . 4.01 511 463 A 66 VAL H A 60 LEU HG 1.0 . 4.53 512 464 A 66 VAL H A 26 LEU HB3 1.0 . 5.06 513 465 A 66 VAL H A 26 LEU HD2% 1.0 . 5.50 514 466 A 60 LEU HD2% A 27 GLN HE22 1.0 . 4.67 515 467 A 25 ILE HG2% A 27 GLN HE21 1.0 . 4.96 516 468 A 28 CYS H A 27 GLN HE22 1.0 . 5.50 517 469 A 79 GLN HA A 79 GLN HE21 1.0 . 5.07 518 470 A 79 GLN HE21 A 79 GLN HG3 1.0 . 3.72 519 471 A 79 GLN HE21 A 92 VAL HG2% 1.0 . 4.14 520 472 A 79 GLN HE21 A 90 LEU HD2% 1.0 . 5.50 521 473 A 79 GLN HA A 79 GLN HE22 1.0 . 5.50 522 474 A 92 VAL HG2% A 79 GLN HE22 1.0 . 4.19 523 475 A 79 GLN HE21 A 91 SER HA 1.0 . 5.50 524 476 A 85 SER H A 89 GLN HE21 1.0 . 5.15 525 477 A 89 GLN H A 89 GLN HE21 1.0 . 5.50 526 478 A 89 GLN HA A 89 GLN HE21 1.0 . 4.77 527 479 A 89 GLN HG3 A 89 GLN HE21 1.0 . 3.43 528 480 A 89 GLN HE21 A 89 GLN HB2 1.0 . 4.93 529 480 A 89 GLN HB3 A 89 GLN HE21 1.0 . 4.93 530 481 A 89 GLN HA A 89 GLN HE22 1.0 . 4.82 531 482 A 87 ARG H A 89 GLN HE21 1.0 . 5.50 532 483 A 89 GLN HE22 A 89 GLN HB2 1.0 . 5.50 533 483 A 89 GLN HB3 A 89 GLN HE22 1.0 . 5.50 534 484 A 47 GLY H A 46 LEU HD1% 1.0 . 5.50 535 484 A 46 LEU HD2% A 47 GLY H 1.0 . 5.50 536 485 A 46 LEU H A 47 GLY H 1.0 . 3.13 537 486 A 47 GLY H A 46 LEU HB3 1.0 . 4.38 538 487 A 47 GLY H A 46 LEU HB2 1.0 . 4.79 539 488 A 50 ILE HG2% A 47 GLY H 1.0 . 5.32 540 489 A 55 LYS H A 56 GLY H 1.0 . 5.02 541 490 A 56 GLY H A 55 LYS HA 1.0 . 3.09 542 491 A 35 ILE H A 34 ASN H 1.0 . 4.74 543 492 A 37 TYR HE% A 34 ASN H 1.0 . 4.06 544 493 A 34 ASN H A 33 PRO HD2 1.0 . 4.41 545 494 A 34 ASN HB2 A 34 ASN H 1.0 . 3.99 546 495 A 34 ASN H A 32 MET HB3 1.0 . 3.69 547 496 A 36 SER H A 34 ASN H 1.0 . 5.25 548 497 A 34 ASN H A 32 MET HG2 1.0 . 4.83 549 497 A 34 ASN H A 32 MET HG3 1.0 . 4.83 550 498 A 55 LYS HG3 A 56 GLY HA2 1.0 . 5.31 551 498 A 56 GLY HA3 A 55 LYS HG2 1.0 . 5.31 552 498 A 56 GLY HA3 A 55 LYS HG3 1.0 . 5.31 553 498 A 55 LYS HG2 A 56 GLY HA2 1.0 . 5.31 554 499 A 56 GLY H A 56 GLY HA2 1.0 . 2.92 555 499 A 56 GLY H A 56 GLY HA3 1.0 . 2.92 556 500 A 62 GLY HA3 A 61 LYS HE2 1.0 . 5.14 557 500 A 61 LYS HE3 A 62 GLY HA3 1.0 . 5.14 558 501 A 62 GLY HA3 A 64 LEU HG 1.0 . 4.37 559 502 A 64 LEU HG A 62 GLY HA2 1.0 . 4.85 560 503 A 62 GLY HA2 A 64 LEU HD1% 1.0 . 5.47 561 504 A 21 PHE HD% A 20 GLY HA3 1.0 . 4.96 562 505 A 20 GLY HA3 A 21 PHE HB2 1.0 . 5.30 563 505 A 21 PHE HB3 A 20 GLY HA3 1.0 . 5.30 564 506 A 19 VAL HG2% A 20 GLY HA3 1.0 . 4.79 565 507 A 20 GLY HA3 A 72 THR HG2% 1.0 . 5.25 566 508 A 6 ALA HB% A 5 GLY HA2 1.0 . 5.36 567 508 A 5 GLY HA3 A 6 ALA HB% 1.0 . 5.36 568 509 A 20 GLY HA2 A 21 PHE HB2 1.0 . 4.76 569 509 A 21 PHE HB3 A 20 GLY HA2 1.0 . 4.76 570 510 A 72 THR HG2% A 20 GLY HA2 1.0 . 5.10 571 511 A 19 VAL HG2% A 20 GLY HA2 1.0 . 4.95 572 512 A 60 LEU HD2% A 65 GLY HA3 1.0 . 4.21 573 513 A 50 ILE HD1% A 47 GLY HA2 1.0 . 5.50 574 514 A 47 GLY HA3 A 49 GLU H 1.0 . 4.40 575 515 A 47 GLY HA3 A 48 GLU HB2 1.0 . 4.53 576 516 A 46 LEU H A 47 GLY HA2 1.0 . 5.34 577 517 A 49 GLU H A 47 GLY HA2 1.0 . 4.77 578 518 A 48 GLU H A 47 GLY HA2 1.0 . 3.20 579 519 A 26 LEU HB2 A 25 ILE HA 1.0 . 5.13 580 520 A 66 VAL H A 26 LEU HB2 1.0 . 4.61 581 521 A 26 LEU HB2 A 66 VAL HG1% 1.0 . 3.53 582 522 A 26 LEU HB2 A 26 LEU HD2% 1.0 . 3.68 583 523 A 26 LEU HB3 A 66 VAL HG1% 1.0 . 3.75 584 524 A 26 LEU HB3 A 26 LEU HD1% 1.0 . 3.62 585 525 A 12 ARG HB2 A 12 ARG HD2 1.0 . 3.43 586 525 A 12 ARG HB3 A 12 ARG HD2 1.0 . 3.43 587 525 A 12 ARG HD3 A 12 ARG HB3 1.0 . 3.43 588 525 A 12 ARG HD3 A 12 ARG HB2 1.0 . 3.43 589 526 A 21 PHE H A 21 PHE HB2 1.0 . 3.88 590 526 A 21 PHE HB3 A 21 PHE H 1.0 . 3.88 591 527 A 69 ASP HA A 21 PHE HB2 1.0 . 4.74 592 527 A 69 ASP HA A 21 PHE HB3 1.0 . 4.74 593 528 A 21 PHE HB3 A 22 VAL HG1% 1.0 . 5.08 594 528 A 21 PHE HB2 A 22 VAL HG1% 1.0 . 5.08 595 528 A 22 VAL HG2% A 21 PHE HB2 1.0 . 5.08 596 528 A 22 VAL HG2% A 21 PHE HB3 1.0 . 5.08 597 529 A 22 VAL HA A 21 PHE HB2 1.0 . 4.67 598 529 A 21 PHE HB3 A 22 VAL HA 1.0 . 4.67 599 530 A 86 ARG HG2 A 86 ARG HD2 1.0 . 2.91 600 530 A 86 ARG HG2 A 86 ARG HD3 1.0 . 2.91 601 531 A 21 PHE HB3 A 69 ASP HB2 1.0 . 3.46 602 531 A 21 PHE HB2 A 69 ASP HB2 1.0 . 3.46 603 531 A 69 ASP HB3 A 21 PHE HB2 1.0 . 3.46 604 531 A 69 ASP HB3 A 21 PHE HB3 1.0 . 3.46 605 532 A 60 LEU HB2 A 66 VAL HA 1.0 . 5.14 606 533 A 65 GLY H A 60 LEU HB2 1.0 . 5.11 607 534 A 60 LEU HB3 A 59 PHE HA 1.0 . 4.89 608 535 A 87 ARG HD3 A 30 ILE HG12 1.0 . 5.50 609 535 A 87 ARG HD3 A 30 ILE HG13 1.0 . 5.50 610 536 A 65 GLY H A 60 LEU HB3 1.0 . 4.78 611 537 A 60 LEU HD2% A 60 LEU HB3 1.0 . 3.82 612 538 A 87 ARG HD3 A 30 ILE H 1.0 . 4.91 613 539 A 87 ARG HD3 A 30 ILE HD1% 1.0 . 4.29 614 540 A 87 ARG HD2 A 29 SER H 1.0 . 5.45 615 541 A 87 ARG HD2 A 87 ARG HA 1.0 . 5.21 616 542 A 87 ARG HD2 A 30 ILE HG12 1.0 . 5.50 617 542 A 87 ARG HD2 A 30 ILE HG13 1.0 . 5.50 618 543 A 82 TRP HE1 A 90 LEU HB2 1.0 . 4.69 619 544 A 90 LEU HB2 A 90 LEU HD2% 1.0 . 3.84 620 545 A 82 TRP HE1 A 90 LEU HB3 1.0 . 5.02 621 546 A 90 LEU HD1% A 90 LEU HB3 1.0 . 3.85 622 547 A 90 LEU HB3 A 90 LEU HD2% 1.0 . 4.07 623 548 A 46 LEU HD2% A 81 LYS HE2 1.0 . 4.85 624 548 A 81 LYS HE3 A 46 LEU HD1% 1.0 . 4.85 625 548 A 46 LEU HD2% A 81 LYS HE3 1.0 . 4.85 626 548 A 46 LEU HD1% A 81 LYS HE2 1.0 . 4.85 627 549 A 84 ASP HB3 A 89 GLN HA 1.0 . 4.96 628 550 A 50 ILE HG2% A 43 LYS HE3 1.0 . 4.76 629 551 A 51 ASP HB3 A 43 LYS HE3 1.0 . 4.26 630 552 A 39 TRP HE3 A 43 LYS HE2 1.0 . 4.56 631 553 A 43 LYS HG3 A 43 LYS HE2 1.0 . 4.11 632 554 A 39 TRP HE3 A 42 LEU HB3 1.0 . 4.87 633 555 A 43 LYS H A 42 LEU HB3 1.0 . 3.79 634 556 A 42 LEU HB2 A 39 TRP HA 1.0 . 4.32 635 557 A 42 LEU HB2 A 42 LEU HD2% 1.0 . 3.96 636 558 A 50 ILE HG2% A 42 LEU HB2 1.0 . 4.41 637 559 A 46 LEU HA A 81 LYS HE2 1.0 . 4.39 638 559 A 81 LYS HE3 A 46 LEU HA 1.0 . 4.39 639 560 A 81 LYS HD2 A 81 LYS HE2 1.0 . 3.00 640 560 A 81 LYS HD3 A 81 LYS HE2 1.0 . 3.00 641 560 A 81 LYS HE3 A 81 LYS HD2 1.0 . 3.00 642 560 A 81 LYS HE3 A 81 LYS HD3 1.0 . 3.00 643 561 A 81 LYS HG3 A 81 LYS HE2 1.0 . 3.74 644 561 A 81 LYS HE3 A 81 LYS HG3 1.0 . 3.74 645 562 A 40 LYS HD3 A 40 LYS HE2 1.0 . 2.89 646 562 A 40 LYS HE3 A 40 LYS HD2 1.0 . 2.89 647 562 A 40 LYS HD3 A 40 LYS HE3 1.0 . 2.89 648 562 A 40 LYS HD2 A 40 LYS HE2 1.0 . 2.89 649 563 A 40 LYS H A 40 LYS HE2 1.0 . 5.50 650 563 A 40 LYS H A 40 LYS HE3 1.0 . 5.50 651 564 A 52 SER HB2 A 53 LYS HE2 1.0 . 5.03 652 564 A 53 LYS HE3 A 52 SER HB2 1.0 . 5.03 653 565 A 53 LYS HB3 A 53 LYS HE2 1.0 . 3.86 654 565 A 53 LYS HB2 A 53 LYS HE2 1.0 . 3.86 655 565 A 53 LYS HE3 A 53 LYS HB2 1.0 . 3.86 656 565 A 53 LYS HE3 A 53 LYS HB3 1.0 . 3.86 657 566 A 53 LYS HD2 A 53 LYS HE2 1.0 . 2.98 658 566 A 53 LYS HE3 A 53 LYS HD2 1.0 . 2.98 659 567 A 50 ILE HD1% A 53 LYS HE2 1.0 . 4.69 660 567 A 53 LYS HE3 A 50 ILE HD1% 1.0 . 4.69 661 568 A 85 SER H A 84 ASP HB3 1.0 . 4.22 662 569 A 51 ASP H A 43 LYS HE3 1.0 . 4.74 663 570 A 46 LEU HB3 A 42 LEU HA 1.0 . 5.15 664 571 A 14 LEU H A 14 LEU HB2 1.0 . 4.12 665 572 A 15 ILE H A 14 LEU HB2 1.0 . 4.37 666 573 A 78 ILE HA A 46 LEU HB2 1.0 . 5.05 667 574 A 14 LEU HB3 A 14 LEU HD2% 1.0 . 3.57 668 575 A 14 LEU H A 14 LEU HB3 1.0 . 4.05 669 576 A 55 LYS HA A 55 LYS HE3 1.0 . 3.89 670 577 A 55 LYS HE3 A 55 LYS HG2 1.0 . 3.49 671 577 A 55 LYS HG3 A 55 LYS HE3 1.0 . 3.49 672 578 A 55 LYS HE3 A 21 PHE HE% 1.0 . 4.94 673 579 A 21 PHE HD% A 55 LYS HE3 1.0 . 5.34 674 580 A 21 PHE HE% A 55 LYS HE2 1.0 . 5.25 675 581 A 55 LYS HA A 55 LYS HE2 1.0 . 4.73 676 582 A 10 ASP H A 10 ASP HB3 1.0 . 3.61 677 583 A 9 VAL HG2% A 10 ASP HB3 1.0 . 5.50 678 584 A 10 ASP HB2 A 9 VAL HG2% 1.0 . 5.23 679 585 A 30 ILE H A 64 LEU HB2 1.0 . 3.84 680 586 A 64 LEU HD1% A 64 LEU HB2 1.0 . 3.81 681 587 A 28 CYS H A 64 LEU HB3 1.0 . 5.18 682 588 A 34 ASN HB2 A 33 PRO HB3 1.0 . 4.72 683 589 A 35 ILE H A 34 ASN HB2 1.0 . 3.72 684 590 A 36 SER H A 34 ASN HB2 1.0 . 4.56 685 591 A 34 ASN HB2 A 36 SER HB2 1.0 . 5.30 686 591 A 36 SER HB3 A 34 ASN HB2 1.0 . 5.30 687 592 A 34 ASN HB3 A 34 ASN HD21 1.0 . 3.98 688 593 A 35 ILE HG2% A 34 ASN HB3 1.0 . 5.44 689 594 A 25 ILE HB A 26 LEU HA 1.0 . 4.94 690 595 A 25 ILE H A 25 ILE HB 1.0 . 3.37 691 596 A 25 ILE HB A 91 SER HB2 1.0 . 4.50 692 596 A 25 ILE HB A 91 SER HB3 1.0 . 4.50 693 597 A 59 PHE HB3 A 59 PHE H 1.0 . 3.56 694 598 A 51 ASP HB2 A 39 TRP HH2 1.0 . 5.03 695 599 A 69 ASP H A 68 PHE HB2 1.0 . 4.08 696 600 A 68 PHE HB3 A 58 VAL H 1.0 . 4.87 697 601 A 68 PHE HB3 A 57 MET HE% 1.0 . 5.24 698 602 A 69 ASP H A 68 PHE HB3 1.0 . 3.75 699 603 A 68 PHE HB3 A 57 MET HA 1.0 . 3.81 700 604 A 68 PHE HB3 A 57 MET HB2 1.0 . 4.92 701 605 A 51 ASP H A 51 ASP HB2 1.0 . 3.71 702 606 A 39 TRP HZ3 A 51 ASP HB2 1.0 . 4.61 703 607 A 50 ILE HG2% A 51 ASP HB2 1.0 . 5.27 704 608 A 51 ASP HB3 A 39 TRP HZ3 1.0 . 4.44 705 609 A 51 ASP HB3 A 43 LYS HE2 1.0 . 4.35 706 610 A 51 ASP HB3 A 50 ILE HG2% 1.0 . 5.03 707 611 A 51 ASP HB3 A 39 TRP HH2 1.0 . 4.90 708 612 A 68 PHE HB2 A 54 VAL HG1% 1.0 . 4.49 709 613 A 68 PHE HB2 A 57 MET HG2 1.0 . 4.53 710 614 A 68 PHE HB2 A 57 MET HB2 1.0 . 4.84 711 615 A 68 PHE HB3 A 57 MET HG3 1.0 . 4.41 712 616 A 37 TYR HB3 A 34 ASN H 1.0 . 4.13 713 617 A 37 TYR HB3 A 32 MET HG2 1.0 . 4.72 714 617 A 37 TYR HB3 A 32 MET HG3 1.0 . 4.72 715 618 A 37 TYR H A 37 TYR HB2 1.0 . 3.41 716 619 A 17 SER H A 18 ASN HB2 1.0 . 5.22 717 620 A 18 ASN HB3 A 18 ASN HD22 1.0 . 4.06 718 621 A 18 ASN HB3 A 15 ILE HG2% 1.0 . 5.21 719 622 A 16 ASN HD22 A 16 ASN HB3 1.0 . 3.94 720 623 A 36 SER H A 35 ILE HB 1.0 . 4.80 721 624 A 32 MET HB2 A 37 TYR HB3 1.0 . 4.95 722 625 A 18 ASN HB2 A 18 ASN H 1.0 . 4.14 723 626 A 18 ASN HD21 A 18 ASN HB2 1.0 . 3.79 724 627 A 15 ILE HG2% A 18 ASN HB2 1.0 . 5.12 725 628 A 15 ILE HB A 18 ASN H 1.0 . 4.11 726 629 A 15 ILE H A 15 ILE HB 1.0 . 3.82 727 630 A 16 ASN HA A 15 ILE HB 1.0 . 4.80 728 631 A 15 ILE HB A 18 ASN HB3 1.0 . 4.76 729 632 A 78 ILE HB A 80 GLU H 1.0 . 5.19 730 633 A 50 ILE HB A 51 ASP H 1.0 . 4.67 731 634 A 50 ILE HB A 49 GLU H 1.0 . 5.24 732 635 A 49 GLU H A 49 GLU HG2 1.0 . 3.70 733 635 A 49 GLU H A 49 GLU HG3 1.0 . 3.70 734 636 A 80 GLU H A 80 GLU HG3 1.0 . 3.95 735 637 A 76 THR HG2% A 80 GLU HG3 1.0 . 4.88 736 638 A 49 GLU HA A 49 GLU HG2 1.0 . 3.54 737 638 A 49 GLU HG3 A 49 GLU HA 1.0 . 3.54 738 639 A 44 GLU HA A 44 GLU HG2 1.0 . 3.78 739 640 A 66 VAL HB A 59 PHE HA 1.0 . 4.24 740 641 A 78 ILE HG13 A 77 GLU HG3 1.0 . 5.50 741 642 A 80 GLU HG3 A 80 GLU HA 1.0 . 3.67 742 643 A 80 GLU H A 80 GLU HG2 1.0 . 4.08 743 644 A 80 GLU HA A 80 GLU HG2 1.0 . 4.05 744 645 A 58 VAL HB A 59 PHE H 1.0 . 3.25 745 646 A 77 GLU H A 77 GLU HG3 1.0 . 5.35 746 647 A 77 GLU HG3 A 77 GLU HA 1.0 . 3.93 747 648 A 48 GLU HB2 A 48 GLU HG2 1.0 . 2.71 748 648 A 48 GLU HB2 A 48 GLU HG3 1.0 . 2.71 749 649 A 77 GLU H A 77 GLU HG2 1.0 . 5.13 750 650 A 32 MET H A 31 GLU HG3 1.0 . 4.27 751 651 A 48 GLU H A 48 GLU HG2 1.0 . 3.36 752 651 A 48 GLU H A 48 GLU HG3 1.0 . 3.36 753 652 A 48 GLU HA A 48 GLU HG2 1.0 . 3.62 754 652 A 48 GLU HA A 48 GLU HG3 1.0 . 3.62 755 653 A 31 GLU HG3 A 64 LEU HD2% 1.0 . 5.16 756 654 A 32 MET H A 31 GLU HG2 1.0 . 4.47 757 655 A 31 GLU H A 31 GLU HG2 1.0 . 4.56 758 656 A 31 GLU HG2 A 31 GLU HA 1.0 . 4.02 759 657 A 55 LYS HB2 A 69 ASP HB2 1.0 . 4.30 760 657 A 69 ASP HB3 A 55 LYS HB2 1.0 . 4.30 761 658 A 55 LYS HB2 A 56 GLY HA2 1.0 . 4.66 762 658 A 55 LYS HB2 A 56 GLY HA3 1.0 . 4.66 763 659 A 55 LYS H A 55 LYS HB3 1.0 . 3.87 764 660 A 56 GLY H A 55 LYS HB3 1.0 . 3.90 765 661 A 55 LYS HB3 A 56 GLY HA2 1.0 . 4.53 766 661 A 56 GLY HA3 A 55 LYS HB3 1.0 . 4.53 767 662 A 55 LYS HB2 A 56 GLY H 1.0 . 3.95 768 663 A 22 VAL H A 22 VAL HB 1.0 . 3.44 769 664 A 23 THR H A 22 VAL HB 1.0 . 4.23 770 665 A 72 THR HA A 22 VAL HB 1.0 . 4.17 771 666 A 69 ASP H A 55 LYS HB2 1.0 . 5.24 772 667 A 81 LYS HB3 A 81 LYS HE2 1.0 . 4.62 773 667 A 81 LYS HB3 A 81 LYS HE3 1.0 . 4.62 774 668 A 33 PRO HD2 A 32 MET HB3 1.0 . 5.50 775 669 A 81 LYS H A 81 LYS HB2 1.0 . 3.62 776 670 A 81 LYS HB2 A 81 LYS HE2 1.0 . 4.43 777 670 A 81 LYS HE3 A 81 LYS HB2 1.0 . 4.43 778 671 A 81 LYS HB2 A 46 LEU HD1% 1.0 . 3.87 779 671 A 46 LEU HD2% A 81 LYS HB2 1.0 . 3.87 780 672 A 82 TRP H A 81 LYS HB2 1.0 . 4.34 781 673 A 78 ILE HA A 81 LYS HB2 1.0 . 4.71 782 674 A 81 LYS HB3 A 46 LEU HD1% 1.0 . 3.84 783 674 A 46 LEU HD2% A 81 LYS HB3 1.0 . 3.84 784 675 A 82 TRP H A 81 LYS HB3 1.0 . 4.25 785 676 A 78 ILE HA A 81 LYS HB3 1.0 . 4.46 786 677 A 79 GLN HA A 79 GLN HG2 1.0 . 3.68 787 678 A 32 MET HB2 A 37 TYR HB2 1.0 . 5.09 788 679 A 32 MET H A 32 MET HB3 1.0 . 3.76 789 680 A 79 GLN H A 79 GLN HG3 1.0 . 3.90 790 681 A 80 GLU H A 79 GLN HG3 1.0 . 4.85 791 682 A 78 ILE HG2% A 79 GLN HG3 1.0 . 4.18 792 683 A 79 GLN HG3 A 90 LEU HD2% 1.0 . 5.31 793 684 A 32 MET HB3 A 34 ASN HA 1.0 . 5.50 794 685 A 81 LYS HB3 A 46 LEU HA 1.0 . 4.68 795 686 A 27 GLN HG3 A 28 CYS H 1.0 . 4.80 796 687 A 27 GLN HG3 A 27 GLN HA 1.0 . 3.99 797 688 A 25 ILE HG2% A 27 GLN HG3 1.0 . 3.82 798 689 A 27 GLN H A 27 GLN HG2 1.0 . 4.34 799 690 A 27 GLN HA A 27 GLN HG2 1.0 . 3.88 800 691 A 25 ILE HG2% A 27 GLN HG2 1.0 . 3.80 801 692 A 28 CYS H A 27 GLN HG2 1.0 . 5.50 802 693 A 50 ILE HD1% A 53 LYS HB2 1.0 . 4.05 803 693 A 53 LYS HB3 A 50 ILE HD1% 1.0 . 4.05 804 694 A 54 VAL H A 53 LYS HB2 1.0 . 3.93 805 694 A 54 VAL H A 53 LYS HB3 1.0 . 3.93 806 695 A 50 ILE HA A 53 LYS HB2 1.0 . 3.99 807 695 A 53 LYS HB3 A 50 ILE HA 1.0 . 3.99 808 696 A 71 PRO HD2 A 53 LYS HB2 1.0 . 4.43 809 696 A 53 LYS HB3 A 71 PRO HD2 1.0 . 4.43 810 697 A 54 VAL HG2% A 53 LYS HB2 1.0 . 4.58 811 697 A 53 LYS HB3 A 54 VAL HG2% 1.0 . 4.58 812 698 A 91 SER H A 24 MET HB2 1.0 . 5.22 813 699 A 92 VAL HA A 24 MET HB2 1.0 . 5.14 814 700 A 24 MET HB3 A 24 MET HE% 1.0 . 4.82 815 701 A 24 MET HB3 A 79 GLN HE22 1.0 . 4.37 816 702 A 84 ASP HB2 A 89 GLN HG3 1.0 . 4.49 817 703 A 90 LEU H A 89 GLN HG2 1.0 . 5.24 818 704 A 89 GLN HE21 A 89 GLN HG2 1.0 . 3.60 819 705 A 89 GLN HA A 89 GLN HG2 1.0 . 3.81 820 706 A 84 ASP HB2 A 89 GLN HG2 1.0 . 4.39 821 707 A 45 GLN HE21 A 45 GLN HG2 1.0 . 3.95 822 708 A 45 GLN HG2 A 42 LEU HA 1.0 . 4.91 823 709 A 45 GLN HG3 A 45 GLN H 1.0 . 4.33 824 710 A 45 GLN HG3 A 46 LEU H 1.0 . 5.33 825 711 A 89 GLN HG3 A 89 GLN H 1.0 . 5.09 826 712 A 45 GLN HG2 A 45 GLN HA 1.0 . 3.77 827 713 A 45 GLN HG3 A 82 TRP HZ3 1.0 . 5.50 828 714 A 70 VAL HB A 71 PRO HD3 1.0 . 3.84 829 715 A 74 SER HB3 A 70 VAL HB 1.0 . 4.63 830 716 A 11 GLN HB3 A 11 GLN HG2 1.0 . 2.71 831 716 A 11 GLN HG3 A 11 GLN HB3 1.0 . 2.71 832 717 A 25 ILE H A 24 MET HG2 1.0 . 4.66 833 718 A 23 THR HA A 24 MET HG2 1.0 . 4.91 834 719 A 70 VAL H A 24 MET HG3 1.0 . 5.39 835 720 A 25 ILE H A 24 MET HG3 1.0 . 4.42 836 721 A 88 TRP HB2 A 41 GLU HG2 1.0 . 5.12 837 722 A 24 MET H A 24 MET HG2 1.0 . 4.28 838 723 A 24 MET HA A 24 MET HG2 1.0 . 3.84 839 724 A 92 VAL HA A 24 MET HG2 1.0 . 4.42 840 725 A 24 MET HE% A 24 MET HG2 1.0 . 4.43 841 726 A 24 MET HG2 A 23 THR HG2% 1.0 . 5.35 842 727 A 70 VAL HG1% A 24 MET HG2 1.0 . 3.60 843 728 A 24 MET H A 24 MET HG3 1.0 . 4.12 844 729 A 24 MET HA A 24 MET HG3 1.0 . 3.79 845 730 A 92 VAL HA A 24 MET HG3 1.0 . 4.01 846 731 A 70 VAL HG1% A 24 MET HG3 1.0 . 3.66 847 732 A 88 TRP HD1 A 41 GLU HG2 1.0 . 5.42 848 733 A 55 LYS H A 54 VAL HB 1.0 . 4.12 849 734 A 53 LYS H A 54 VAL HB 1.0 . 4.75 850 735 A 54 VAL H A 54 VAL HB 1.0 . 3.04 851 736 A 54 VAL HB A 51 ASP HA 1.0 . 4.09 852 737 A 57 MET HB3 A 54 VAL HG1% 1.0 . 4.97 853 738 A 57 MET HB3 A 57 MET HE% 1.0 . 4.48 854 739 A 57 MET HB3 A 58 VAL H 1.0 . 5.10 855 740 A 91 SER HA A 92 VAL HB 1.0 . 4.38 856 741 A 93 ALA H A 92 VAL HB 1.0 . 4.05 857 742 A 92 VAL H A 92 VAL HB 1.0 . 3.02 858 743 A 43 LYS H A 43 LYS HB2 1.0 . 3.67 859 744 A 10 ASP H A 9 VAL HB 1.0 . 4.32 860 745 A 37 TYR HE% A 33 PRO HB3 1.0 . 4.62 861 746 A 34 ASN H A 33 PRO HB3 1.0 . 3.93 862 747 A 43 LYS HB2 A 43 LYS HE2 1.0 . 5.50 863 748 A 43 LYS HB2 A 50 ILE HG2% 1.0 . 4.60 864 749 A 28 CYS H A 32 MET HG2 1.0 . 5.50 865 749 A 28 CYS H A 32 MET HG3 1.0 . 5.50 866 750 A 34 ASN H A 33 PRO HB2 1.0 . 4.46 867 751 A 37 TYR HE% A 33 PRO HB2 1.0 . 5.14 868 752 A 37 TYR HD% A 40 LYS HB2 1.0 . 5.50 869 752 A 40 LYS HB3 A 37 TYR HD% 1.0 . 5.50 870 753 A 32 MET H A 32 MET HG2 1.0 . 3.49 871 753 A 32 MET H A 32 MET HG3 1.0 . 3.49 872 754 A 64 LEU HA A 32 MET HG2 1.0 . 4.67 873 754 A 64 LEU HA A 32 MET HG3 1.0 . 4.67 874 755 A 37 TYR HB2 A 32 MET HG2 1.0 . 4.07 875 755 A 32 MET HG3 A 37 TYR HB2 1.0 . 4.07 876 756 A 27 GLN HG3 A 27 GLN HB3 1.0 . 2.91 877 757 A 90 LEU HA A 89 GLN HB2 1.0 . 4.78 878 757 A 89 GLN HB3 A 90 LEU HA 1.0 . 4.78 879 758 A 19 VAL H A 19 VAL HB 1.0 . 3.24 880 759 A 27 GLN HB3 A 27 GLN HE22 1.0 . 5.17 881 760 A 25 ILE HG2% A 27 GLN HB3 1.0 . 5.50 882 761 A 27 GLN HB2 A 89 GLN H 1.0 . 4.80 883 762 A 27 GLN HB2 A 28 CYS H 1.0 . 4.34 884 763 A 27 GLN HB2 A 27 GLN HE21 1.0 . 5.28 885 764 A 71 PRO HB3 A 73 ALA HB% 1.0 . 4.13 886 765 A 88 TRP H A 87 ARG HB2 1.0 . 4.65 887 766 A 88 TRP HD1 A 87 ARG HB2 1.0 . 4.42 888 767 A 27 GLN HB2 A 27 GLN HE22 1.0 . 5.50 889 768 A 74 SER H A 71 PRO HB3 1.0 . 4.03 890 769 A 61 LYS H A 61 LYS HB2 1.0 . 3.31 891 769 A 61 LYS H A 61 LYS HB3 1.0 . 3.31 892 770 A 87 ARG HB3 A 88 TRP H 1.0 . 4.10 893 771 A 95 GLU H A 94 THR HB 1.0 . 3.56 894 772 A 94 THR H A 94 THR HB 1.0 . 3.84 895 773 A 72 THR H A 71 PRO HB2 1.0 . 4.19 896 774 A 74 SER H A 71 PRO HB2 1.0 . 4.59 897 775 A 74 SER HB3 A 71 PRO HB2 1.0 . 5.31 898 776 A 71 PRO HB2 A 73 ALA HB% 1.0 . 5.37 899 777 A 72 THR HA A 75 VAL HB 1.0 . 4.79 900 778 A 71 PRO HB3 A 21 PHE HE% 1.0 . 4.85 901 779 A 58 VAL H A 57 MET HG3 1.0 . 4.33 902 780 A 35 ILE HD1% A 57 MET HG3 1.0 . 4.93 903 781 A 57 MET HE% A 57 MET HG3 1.0 . 4.58 904 782 A 64 LEU HA A 28 CYS HB2 1.0 . 4.56 905 782 A 64 LEU HA A 28 CYS HB3 1.0 . 4.56 906 783 A 28 CYS H A 28 CYS HB2 1.0 . 3.55 907 783 A 28 CYS H A 28 CYS HB3 1.0 . 3.55 908 784 A 68 PHE HB2 A 57 MET HG3 1.0 . 4.26 909 785 A 57 MET HA A 57 MET HG3 1.0 . 4.01 910 786 A 68 PHE HD% A 57 MET HG2 1.0 . 4.57 911 787 A 57 MET HG2 A 66 VAL HG1% 1.0 . 5.11 912 788 A 25 ILE HA A 67 CYS HB3 1.0 . 4.16 913 789 A 95 GLU H A 95 GLU HB2 1.0 . 4.00 914 790 A 67 CYS HB2 A 67 CYS H 1.0 . 3.91 915 791 A 67 CYS HB2 A 25 ILE HA 1.0 . 4.49 916 792 A 67 CYS HB2 A 60 LEU HD1% 1.0 . 3.65 917 793 A 67 CYS H A 67 CYS HB3 1.0 . 3.88 918 794 A 68 PHE H A 67 CYS HB3 1.0 . 3.92 919 795 A 60 LEU HG A 67 CYS HB3 1.0 . 4.64 920 796 A 23 THR HG2% A 67 CYS HB3 1.0 . 3.85 921 797 A 67 CYS HB3 A 60 LEU HD1% 1.0 . 3.54 922 798 A 12 ARG H A 12 ARG HB3 1.0 . 3.90 923 798 A 12 ARG H A 12 ARG HB2 1.0 . 3.90 924 799 A 84 ASP H A 83 HIS HB3 1.0 . 4.28 925 800 A 82 TRP HA A 83 HIS HB2 1.0 . 4.72 926 801 A 72 THR HB A 19 VAL HG2% 1.0 . 4.79 927 802 A 39 TRP HB3 A 40 LYS HB2 1.0 . 5.50 928 802 A 40 LYS HB3 A 39 TRP HB3 1.0 . 5.50 929 803 A 40 LYS H A 39 TRP HB3 1.0 . 3.96 930 804 A 36 SER HA A 39 TRP HB3 1.0 . 4.01 931 805 A 39 TRP HB3 A 43 LYS HD2 1.0 . 4.83 932 805 A 39 TRP HB3 A 43 LYS HD3 1.0 . 4.83 933 806 A 38 ALA H A 39 TRP HB2 1.0 . 5.50 934 807 A 39 TRP HB2 A 40 LYS HB2 1.0 . 4.67 935 807 A 40 LYS HB3 A 39 TRP HB2 1.0 . 4.67 936 808 A 45 GLN HE22 A 45 GLN HB2 1.0 . 5.06 937 809 A 45 GLN HB2 A 46 LEU HD1% 1.0 . 4.73 938 809 A 45 GLN HB2 A 46 LEU HD2% 1.0 . 4.73 939 810 A 45 GLN HB2 A 45 GLN H 1.0 . 3.99 940 811 A 81 LYS H A 80 GLU HB2 1.0 . 3.99 941 812 A 46 LEU H A 45 GLN HB3 1.0 . 4.16 942 813 A 45 GLN HB3 A 82 TRP HE3 1.0 . 4.78 943 814 A 82 TRP HZ3 A 45 GLN HB3 1.0 . 4.73 944 815 A 76 THR H A 76 THR HB 1.0 . 3.69 945 816 A 77 GLU H A 76 THR HB 1.0 . 3.82 946 817 A 46 LEU HD2% A 82 TRP HB2 1.0 . 4.11 947 817 A 46 LEU HD1% A 82 TRP HB2 1.0 . 4.11 948 817 A 82 TRP HB3 A 46 LEU HD1% 1.0 . 4.11 949 817 A 46 LEU HD2% A 82 TRP HB3 1.0 . 4.11 950 818 A 83 HIS H A 82 TRP HB2 1.0 . 4.67 951 818 A 83 HIS H A 82 TRP HB3 1.0 . 4.67 952 819 A 80 GLU H A 80 GLU HB3 1.0 . 3.27 953 820 A 81 LYS H A 80 GLU HB3 1.0 . 3.88 954 821 A 49 GLU H A 48 GLU HB3 1.0 . 3.90 955 822 A 48 GLU H A 48 GLU HB3 1.0 . 3.26 956 823 A 48 GLU HB2 A 49 GLU H 1.0 . 3.98 957 824 A 31 GLU H A 31 GLU HB3 1.0 . 3.29 958 825 A 31 GLU HB3 A 64 LEU HD2% 1.0 . 4.93 959 826 A 31 GLU H A 31 GLU HB2 1.0 . 3.31 960 827 A 64 LEU HD2% A 31 GLU HB2 1.0 . 4.71 961 828 A 32 MET H A 31 GLU HB2 1.0 . 4.39 962 829 A 48 GLU HA A 43 LYS HD2 1.0 . 3.72 963 829 A 48 GLU HA A 43 LYS HD3 1.0 . 3.72 964 830 A 78 ILE HA A 78 ILE HG12 1.0 . 3.66 965 831 A 78 ILE HG2% A 78 ILE HG12 1.0 . 3.45 966 832 A 86 ARG HB3 A 86 ARG HD2 1.0 . 3.67 967 832 A 86 ARG HB2 A 86 ARG HD2 1.0 . 3.67 968 832 A 86 ARG HD3 A 86 ARG HB2 1.0 . 3.67 969 832 A 86 ARG HB3 A 86 ARG HD3 1.0 . 3.67 970 833 A 81 LYS H A 81 LYS HD2 1.0 . 5.21 971 833 A 81 LYS H A 81 LYS HD3 1.0 . 5.21 972 834 A 46 LEU HA A 81 LYS HD2 1.0 . 4.20 973 834 A 46 LEU HA A 81 LYS HD3 1.0 . 4.20 974 835 A 46 LEU HD2% A 81 LYS HD2 1.0 . 4.28 975 835 A 46 LEU HD1% A 81 LYS HD2 1.0 . 4.28 976 835 A 81 LYS HD3 A 46 LEU HD1% 1.0 . 4.28 977 835 A 46 LEU HD2% A 81 LYS HD3 1.0 . 4.28 978 836 A 39 TRP HE3 A 43 LYS HD2 1.0 . 5.06 979 836 A 39 TRP HE3 A 43 LYS HD3 1.0 . 5.06 980 837 A 43 LYS H A 43 LYS HD2 1.0 . 4.00 981 837 A 43 LYS H A 43 LYS HD3 1.0 . 4.00 982 838 A 43 LYS HA A 43 LYS HD2 1.0 . 3.99 983 838 A 43 LYS HD3 A 43 LYS HA 1.0 . 3.99 984 839 A 50 ILE HG2% A 43 LYS HD2 1.0 . 4.47 985 839 A 50 ILE HG2% A 43 LYS HD3 1.0 . 4.47 986 840 A 77 GLU H A 77 GLU HB2 1.0 . 3.08 987 841 A 45 GLN H A 44 GLU HB3 1.0 . 3.55 988 842 A 40 LYS HA A 40 LYS HD2 1.0 . 3.86 989 842 A 40 LYS HD3 A 40 LYS HA 1.0 . 3.86 990 843 A 35 ILE HA A 35 ILE HG12 1.0 . 3.77 991 844 A 39 TRP HE1 A 35 ILE HG12 1.0 . 5.36 992 845 A 75 VAL HA A 78 ILE HB 1.0 . 3.73 993 846 A 75 VAL HA A 75 VAL HG1% 1.0 . 3.84 994 846 A 75 VAL HA A 75 VAL HG2% 1.0 . 3.84 995 847 A 78 ILE HD1% A 75 VAL HA 1.0 . 3.66 996 848 A 44 GLU HB2 A 44 GLU HG3 1.0 . 2.56 997 849 A 61 LYS HA A 61 LYS HD2 1.0 . 4.86 998 849 A 61 LYS HA A 61 LYS HD3 1.0 . 4.86 999 850 A 40 LYS H A 40 LYS HD2 1.0 . 4.58 1000 850 A 40 LYS H A 40 LYS HD3 1.0 . 4.58 1001 851 A 35 ILE HG12 A 59 PHE HE% 1.0 . 4.89 1002 852 A 35 ILE H A 35 ILE HG12 1.0 . 4.22 1003 853 A 39 TRP HD1 A 35 ILE HG12 1.0 . 4.56 1004 854 A 36 SER H A 35 ILE HG13 1.0 . 5.09 1005 855 A 53 LYS HA A 53 LYS HD3 1.0 . 4.59 1006 856 A 53 LYS HD2 A 53 LYS HA 1.0 . 4.39 1007 857 A 55 LYS HA A 55 LYS HD2 1.0 . 4.80 1008 858 A 11 GLN H A 11 GLN HB3 1.0 . 3.87 1009 859 A 11 GLN H A 11 GLN HB2 1.0 . 3.65 1010 860 A 80 GLU H A 79 GLN HB3 1.0 . 4.17 1011 861 A 79 GLN HB3 A 79 GLN HE21 1.0 . 5.15 1012 862 A 78 ILE HG2% A 79 GLN HB3 1.0 . 5.12 1013 863 A 80 GLU H A 79 GLN HB2 1.0 . 4.29 1014 864 A 79 GLN H A 79 GLN HB2 1.0 . 3.72 1015 865 A 21 PHE HE% A 55 LYS HD3 1.0 . 4.60 1016 866 A 55 LYS HA A 55 LYS HD3 1.0 . 3.70 1017 867 A 50 ILE H A 50 ILE HG12 1.0 . 5.08 1018 868 A 39 TRP HZ3 A 50 ILE HG12 1.0 . 5.50 1019 869 A 50 ILE HG13 A 39 TRP HZ3 1.0 . 5.42 1020 870 A 50 ILE HG13 A 54 VAL HG2% 1.0 . 4.61 1021 871 A 50 ILE HG13 A 54 VAL HG1% 1.0 . 5.50 1022 872 A 49 GLU H A 49 GLU HB3 1.0 . 3.54 1023 873 A 50 ILE H A 49 GLU HB3 1.0 . 4.83 1024 874 A 75 VAL H A 71 PRO HG3 1.0 . 4.55 1025 875 A 70 VAL HA A 71 PRO HG3 1.0 . 4.63 1026 876 A 73 ALA H A 71 PRO HG3 1.0 . 5.38 1027 877 A 50 ILE H A 49 GLU HB2 1.0 . 4.72 1028 878 A 41 GLU HB2 A 42 LEU H 1.0 . 4.46 1029 879 A 41 GLU HB3 A 42 LEU HA 1.0 . 3.82 1030 880 A 70 VAL HA A 71 PRO HG2 1.0 . 4.74 1031 881 A 41 GLU HB3 A 82 TRP HZ3 1.0 . 4.62 1032 882 A 78 ILE HD1% A 76 THR HA 1.0 . 5.50 1033 883 A 79 GLN H A 76 THR HA 1.0 . 4.47 1034 884 A 79 GLN HB3 A 76 THR HA 1.0 . 3.91 1035 885 A 76 THR HG2% A 76 THR HA 1.0 . 4.10 1036 886 A 25 ILE H A 91 SER HB2 1.0 . 5.01 1037 886 A 25 ILE H A 91 SER HB3 1.0 . 5.01 1038 887 A 25 ILE H A 25 ILE HG12 1.0 . 4.19 1039 887 A 25 ILE H A 25 ILE HG13 1.0 . 4.19 1040 888 A 93 ALA HA A 25 ILE HG12 1.0 . 4.70 1041 888 A 25 ILE HG13 A 93 ALA HA 1.0 . 4.70 1042 889 A 92 VAL HB A 91 SER HB2 1.0 . 5.07 1043 889 A 91 SER HB3 A 92 VAL HB 1.0 . 5.07 1044 890 A 78 ILE HG13 A 78 ILE HA 1.0 . 3.16 1045 891 A 33 PRO HG2 A 34 ASN H 1.0 . 4.39 1046 892 A 37 TYR HE% A 33 PRO HG2 1.0 . 5.07 1047 893 A 26 LEU HG A 38 ALA HB% 1.0 . 5.50 1048 894 A 34 ASN H A 33 PRO HG3 1.0 . 4.17 1049 895 A 37 TYR HE% A 33 PRO HG3 1.0 . 4.65 1050 896 A 24 MET HA A 25 ILE HG12 1.0 . 5.25 1051 896 A 25 ILE HG13 A 24 MET HA 1.0 . 5.25 1052 897 A 26 LEU HG A 88 TRP HE3 1.0 . 3.65 1053 898 A 86 ARG HA A 86 ARG HG3 1.0 . 4.04 1054 899 A 86 ARG H A 86 ARG HG3 1.0 . 5.02 1055 900 A 86 ARG H A 86 ARG HG2 1.0 . 4.88 1056 901 A 86 ARG HG2 A 86 ARG HA 1.0 . 4.05 1057 902 A 15 ILE H A 15 ILE HG12 1.0 . 3.88 1058 903 A 15 ILE HG12 A 16 ASN HA 1.0 . 5.07 1059 904 A 25 ILE HA A 25 ILE HG12 1.0 . 3.81 1060 904 A 25 ILE HG13 A 25 ILE HA 1.0 . 3.81 1061 905 A 15 ILE H A 15 ILE HG13 1.0 . 4.24 1062 906 A 60 LEU H A 60 LEU HG 1.0 . 3.68 1063 907 A 43 LYS HG2 A 43 LYS H 1.0 . 3.76 1064 908 A 43 LYS HG2 A 43 LYS HA 1.0 . 3.69 1065 909 A 43 LYS HG2 A 48 GLU HA 1.0 . 4.05 1066 910 A 43 LYS HG2 A 43 LYS HE2 1.0 . 4.02 1067 911 A 12 ARG HB3 A 12 ARG HG3 1.0 . 2.40 1068 911 A 12 ARG HB2 A 12 ARG HG3 1.0 . 2.40 1069 911 A 12 ARG HG2 A 12 ARG HB3 1.0 . 2.40 1070 911 A 12 ARG HB2 A 12 ARG HG2 1.0 . 2.40 1071 912 A 12 ARG H A 12 ARG HG3 1.0 . 3.91 1072 912 A 12 ARG H A 12 ARG HG2 1.0 . 3.91 1073 913 A 12 ARG HA A 12 ARG HG3 1.0 . 3.72 1074 913 A 12 ARG HG2 A 12 ARG HA 1.0 . 3.72 1075 914 A 64 LEU HA A 64 LEU HG 1.0 . 3.91 1076 915 A 43 LYS HG3 A 43 LYS HE3 1.0 . 4.24 1077 916 A 88 TRP HE1 A 87 ARG HG3 1.0 . 5.50 1078 917 A 87 ARG HG3 A 87 ARG H 1.0 . 4.99 1079 918 A 46 LEU H A 46 LEU HG 1.0 . 4.35 1080 919 A 45 GLN H A 46 LEU HG 1.0 . 4.46 1081 920 A 82 TRP HE3 A 46 LEU HG 1.0 . 3.89 1082 921 A 42 LEU HA A 46 LEU HG 1.0 . 4.08 1083 922 A 78 ILE HA A 46 LEU HG 1.0 . 4.62 1084 923 A 46 LEU HB3 A 46 LEU HG 1.0 . 2.81 1085 924 A 78 ILE HG2% A 46 LEU HG 1.0 . 3.43 1086 925 A 90 LEU HG A 26 LEU HD2% 1.0 . 3.95 1087 926 A 91 SER H A 90 LEU HG 1.0 . 4.07 1088 927 A 90 LEU HA A 90 LEU HG 1.0 . 4.10 1089 928 A 78 ILE HD1% A 74 SER HB3 1.0 . 4.21 1090 929 A 74 SER HB3 A 71 PRO HB3 1.0 . 5.07 1091 930 A 74 SER HB3 A 71 PRO HG3 1.0 . 4.30 1092 931 A 39 TRP HA A 42 LEU HG 1.0 . 4.94 1093 932 A 42 LEU HA A 42 LEU HG 1.0 . 4.17 1094 933 A 31 GLU H A 30 ILE HG12 1.0 . 4.55 1095 933 A 31 GLU H A 30 ILE HG13 1.0 . 4.55 1096 934 A 35 ILE HA A 38 ALA H 1.0 . 3.82 1097 935 A 35 ILE HA A 35 ILE HG13 1.0 . 3.46 1098 936 A 42 LEU HD1% A 26 LEU HD1% 1.0 . 4.21 1099 937 A 42 LEU H A 26 LEU HD1% 1.0 . 4.82 1100 938 A 66 VAL H A 26 LEU HD1% 1.0 . 5.45 1101 939 A 26 LEU H A 26 LEU HD1% 1.0 . 5.31 1102 940 A 88 TRP HE3 A 26 LEU HD1% 1.0 . 4.57 1103 941 A 88 TRP HZ3 A 26 LEU HD1% 1.0 . 4.58 1104 942 A 26 LEU HA A 26 LEU HD1% 1.0 . 4.57 1105 943 A 88 TRP HB3 A 26 LEU HD1% 1.0 . 5.50 1106 944 A 26 LEU HB2 A 26 LEU HD1% 1.0 . 3.47 1107 945 A 90 LEU HD1% A 26 LEU HD1% 1.0 . 3.35 1108 946 A 81 LYS HG2 A 46 LEU HD1% 1.0 . 5.22 1109 946 A 46 LEU HD2% A 81 LYS HG2 1.0 . 5.22 1110 947 A 81 LYS H A 81 LYS HG2 1.0 . 4.09 1111 948 A 46 LEU HA A 81 LYS HG2 1.0 . 5.26 1112 949 A 81 LYS HG2 A 81 LYS HA 1.0 . 4.05 1113 950 A 81 LYS HG2 A 81 LYS HE2 1.0 . 4.07 1114 950 A 81 LYS HE3 A 81 LYS HG2 1.0 . 4.07 1115 951 A 81 LYS H A 81 LYS HG3 1.0 . 4.23 1116 952 A 42 LEU H A 42 LEU HD1% 1.0 . 4.15 1117 953 A 43 LYS H A 42 LEU HD1% 1.0 . 5.31 1118 954 A 42 LEU HD1% A 39 TRP HE3 1.0 . 4.57 1119 955 A 42 LEU HD1% A 39 TRP HA 1.0 . 3.82 1120 956 A 42 LEU HD1% A 42 LEU HA 1.0 . 4.30 1121 957 A 42 LEU HD1% A 42 LEU HB3 1.0 . 3.50 1122 958 A 42 LEU HD1% A 42 LEU HB2 1.0 . 3.72 1123 959 A 52 SER H A 52 SER HB3 1.0 . 3.66 1124 960 A 13 SER HB3 A 15 ILE HG2% 1.0 . 5.23 1125 961 A 64 LEU HD1% A 64 LEU HB3 1.0 . 3.85 1126 962 A 64 LEU HA A 64 LEU HD1% 1.0 . 4.49 1127 963 A 62 GLY HA3 A 64 LEU HD1% 1.0 . 4.41 1128 964 A 90 LEU HD1% A 26 LEU HD2% 1.0 . 3.11 1129 965 A 90 LEU HD1% A 88 TRP HE3 1.0 . 3.69 1130 966 A 90 LEU HD1% A 82 TRP HH2 1.0 . 3.83 1131 967 A 90 LEU HD1% A 88 TRP HA 1.0 . 5.00 1132 968 A 90 LEU HD1% A 90 LEU HA 1.0 . 3.15 1133 969 A 90 LEU HD1% A 88 TRP HB3 1.0 . 3.61 1134 970 A 26 LEU HG A 90 LEU HD1% 1.0 . 3.59 1135 971 A 66 VAL H A 60 LEU HD2% 1.0 . 4.15 1136 972 A 60 LEU HD2% A 67 CYS H 1.0 . 4.54 1137 973 A 60 LEU HD2% A 60 LEU H 1.0 . 4.31 1138 974 A 60 LEU HD2% A 27 GLN HE21 1.0 . 5.32 1139 975 A 60 LEU HD2% A 65 GLY HA2 1.0 . 3.44 1140 976 A 60 LEU HD2% A 67 CYS HB3 1.0 . 5.25 1141 977 A 60 LEU HD2% A 27 GLN HG2 1.0 . 5.12 1142 978 A 60 LEU HD2% A 60 LEU HB2 1.0 . 3.05 1143 979 A 14 LEU H A 13 SER HB2 1.0 . 3.47 1144 980 A 10 ASP HB3 A 8 SER HB3 1.0 . 4.42 1145 981 A 30 ILE HG2% A 29 SER HB2 1.0 . 5.44 1146 981 A 29 SER HB3 A 30 ILE HG2% 1.0 . 5.44 1147 982 A 53 LYS H A 53 LYS HG3 1.0 . 4.13 1148 983 A 53 LYS HA A 53 LYS HG3 1.0 . 3.96 1149 984 A 53 LYS HG3 A 53 LYS HE2 1.0 . 3.98 1150 984 A 53 LYS HE3 A 53 LYS HG3 1.0 . 3.98 1151 985 A 53 LYS H A 53 LYS HG2 1.0 . 4.27 1152 986 A 53 LYS HA A 53 LYS HG2 1.0 . 3.94 1153 987 A 14 LEU HD1% A 14 LEU HA 1.0 . 3.84 1154 988 A 53 LYS HG2 A 53 LYS HE2 1.0 . 3.66 1155 988 A 53 LYS HE3 A 53 LYS HG2 1.0 . 3.66 1156 989 A 40 LYS HG2 A 40 LYS HE2 1.0 . 3.92 1157 989 A 40 LYS HG2 A 40 LYS HE3 1.0 . 3.92 1158 990 A 82 TRP HA A 90 LEU HD2% 1.0 . 5.50 1159 991 A 40 LYS HG3 A 40 LYS HD2 1.0 . 2.47 1160 991 A 40 LYS HD3 A 40 LYS HG3 1.0 . 2.47 1161 992 A 40 LYS H A 40 LYS HG3 1.0 . 4.58 1162 993 A 40 LYS HG2 A 40 LYS HA 1.0 . 3.88 1163 994 A 82 TRP HE1 A 90 LEU HD2% 1.0 . 5.50 1164 995 A 91 SER H A 90 LEU HD2% 1.0 . 5.34 1165 996 A 90 LEU H A 90 LEU HD2% 1.0 . 4.75 1166 997 A 82 TRP H A 90 LEU HD2% 1.0 . 5.50 1167 998 A 90 LEU HD2% A 82 TRP HH2 1.0 . 5.14 1168 999 A 90 LEU HA A 90 LEU HD2% 1.0 . 4.56 1169 1000 A 90 LEU HD2% A 82 TRP HB2 1.0 . 3.74 1170 1000 A 82 TRP HB3 A 90 LEU HD2% 1.0 . 3.74 1171 1001 A 42 LEU HD1% A 90 LEU HD2% 1.0 . 3.86 1172 1002 A 20 GLY H A 19 VAL HA 1.0 . 2.87 1173 1003 A 19 VAL HG2% A 19 VAL HA 1.0 . 3.14 1174 1004 A 61 LYS HE3 A 61 LYS HG2 1.0 . 4.12 1175 1004 A 61 LYS HG3 A 61 LYS HE2 1.0 . 4.12 1176 1004 A 61 LYS HE3 A 61 LYS HG3 1.0 . 4.12 1177 1004 A 61 LYS HE2 A 61 LYS HG2 1.0 . 4.12 1178 1005 A 61 LYS HA A 61 LYS HG2 1.0 . 4.14 1179 1005 A 61 LYS HA A 61 LYS HG3 1.0 . 4.14 1180 1006 A 61 LYS HD2 A 61 LYS HG2 1.0 . 2.85 1181 1006 A 61 LYS HD3 A 61 LYS HG2 1.0 . 2.85 1182 1006 A 61 LYS HG3 A 61 LYS HD2 1.0 . 2.85 1183 1006 A 61 LYS HD3 A 61 LYS HG3 1.0 . 2.85 1184 1007 A 61 LYS H A 61 LYS HG2 1.0 . 4.70 1185 1007 A 61 LYS H A 61 LYS HG3 1.0 . 4.70 1186 1008 A 10 ASP HB3 A 9 VAL HA 1.0 . 5.12 1187 1009 A 62 GLY H A 61 LYS HG2 1.0 . 5.00 1188 1009 A 62 GLY H A 61 LYS HG3 1.0 . 5.00 1189 1010 A 9 VAL HA A 9 VAL HG1% 1.0 . 3.21 1190 1011 A 73 ALA H A 71 PRO HA 1.0 . 4.57 1191 1012 A 93 ALA H A 92 VAL HA 1.0 . 2.82 1192 1013 A 24 MET HA A 92 VAL HA 1.0 . 3.09 1193 1014 A 93 ALA HB% A 92 VAL HA 1.0 . 4.81 1194 1015 A 10 ASP H A 9 VAL HA 1.0 . 3.05 1195 1016 A 27 GLN H A 26 LEU HD2% 1.0 . 4.65 1196 1017 A 91 SER H A 26 LEU HD2% 1.0 . 3.50 1197 1018 A 25 ILE H A 26 LEU HD2% 1.0 . 4.12 1198 1019 A 67 CYS HA A 26 LEU HD2% 1.0 . 5.50 1199 1020 A 26 LEU HA A 26 LEU HD2% 1.0 . 3.02 1200 1021 A 24 MET HB2 A 26 LEU HD2% 1.0 . 3.83 1201 1022 A 90 LEU HD2% A 26 LEU HD2% 1.0 . 3.33 1202 1023 A 24 MET H A 23 THR HA 1.0 . 2.92 1203 1024 A 70 VAL H A 23 THR HA 1.0 . 4.13 1204 1025 A 70 VAL HG1% A 23 THR HA 1.0 . 4.38 1205 1026 A 22 VAL H A 71 PRO HA 1.0 . 4.45 1206 1027 A 72 THR H A 71 PRO HA 1.0 . 2.92 1207 1028 A 71 PRO HA A 21 PHE HB2 1.0 . 4.47 1208 1028 A 21 PHE HB3 A 71 PRO HA 1.0 . 4.47 1209 1029 A 37 TYR H A 36 SER HB2 1.0 . 4.77 1210 1029 A 37 TYR H A 36 SER HB3 1.0 . 4.77 1211 1030 A 54 VAL HA A 55 LYS HG2 1.0 . 4.68 1212 1030 A 55 LYS HG3 A 54 VAL HA 1.0 . 4.68 1213 1031 A 55 LYS HE2 A 55 LYS HG2 1.0 . 3.88 1214 1031 A 55 LYS HG3 A 55 LYS HE2 1.0 . 3.88 1215 1032 A 55 LYS HG3 A 69 ASP HB2 1.0 . 4.22 1216 1032 A 55 LYS HG2 A 69 ASP HB2 1.0 . 4.22 1217 1032 A 69 ASP HB3 A 55 LYS HG2 1.0 . 4.22 1218 1032 A 69 ASP HB3 A 55 LYS HG3 1.0 . 4.22 1219 1033 A 55 LYS H A 55 LYS HG2 1.0 . 3.81 1220 1033 A 55 LYS H A 55 LYS HG3 1.0 . 3.81 1221 1034 A 56 GLY H A 55 LYS HG2 1.0 . 4.55 1222 1034 A 56 GLY H A 55 LYS HG3 1.0 . 4.55 1223 1035 A 21 PHE HE% A 55 LYS HG2 1.0 . 4.57 1224 1035 A 55 LYS HG3 A 21 PHE HE% 1.0 . 4.57 1225 1036 A 55 LYS HA A 55 LYS HG2 1.0 . 3.80 1226 1036 A 55 LYS HA A 55 LYS HG3 1.0 . 3.80 1227 1037 A 55 LYS H A 54 VAL HA 1.0 . 2.83 1228 1038 A 75 VAL H A 75 VAL HG1% 1.0 . 3.00 1229 1038 A 75 VAL H A 75 VAL HG2% 1.0 . 3.00 1230 1039 A 72 THR HA A 75 VAL HG1% 1.0 . 3.23 1231 1039 A 72 THR HA A 75 VAL HG2% 1.0 . 3.23 1232 1040 A 74 SER HB3 A 75 VAL HG1% 1.0 . 4.70 1233 1040 A 74 SER HB3 A 75 VAL HG2% 1.0 . 4.70 1234 1041 A 36 SER HA A 39 TRP H 1.0 . 4.01 1235 1042 A 36 SER HA A 36 SER HB2 1.0 . 3.01 1236 1042 A 36 SER HA A 36 SER HB3 1.0 . 3.01 1237 1043 A 36 SER HA A 39 TRP HB2 1.0 . 3.36 1238 1044 A 40 LYS H A 37 TYR HA 1.0 . 4.16 1239 1045 A 37 TYR HA A 40 LYS HB2 1.0 . 3.27 1240 1045 A 40 LYS HB3 A 37 TYR HA 1.0 . 3.27 1241 1046 A 37 TYR HA A 40 LYS HD2 1.0 . 4.49 1242 1046 A 40 LYS HD3 A 37 TYR HA 1.0 . 4.49 1243 1047 A 6 ALA HB% A 7 THR HA 1.0 . 4.87 1244 1048 A 18 ASN H A 15 ILE HA 1.0 . 3.25 1245 1049 A 15 ILE HG13 A 15 ILE HA 1.0 . 3.67 1246 1050 A 15 ILE HG2% A 15 ILE HA 1.0 . 3.52 1247 1051 A 15 ILE HG12 A 15 ILE HA 1.0 . 4.04 1248 1052 A 90 LEU HA A 42 LEU HD2% 1.0 . 5.50 1249 1053 A 43 LYS H A 42 LEU HD2% 1.0 . 5.11 1250 1054 A 42 LEU HD2% A 42 LEU HA 1.0 . 3.08 1251 1055 A 42 LEU HB3 A 42 LEU HD2% 1.0 . 3.98 1252 1056 A 42 LEU HD2% A 46 LEU HG 1.0 . 3.11 1253 1057 A 42 LEU HD2% A 90 LEU HD2% 1.0 . 4.13 1254 1058 A 7 THR HA A 7 THR HG2% 1.0 . 3.32 1255 1059 A 24 MET H A 23 THR HG2% 1.0 . 3.46 1256 1060 A 68 PHE H A 23 THR HG2% 1.0 . 3.88 1257 1061 A 69 ASP HA A 23 THR HG2% 1.0 . 4.49 1258 1062 A 67 CYS HA A 23 THR HG2% 1.0 . 4.60 1259 1063 A 23 THR HA A 23 THR HG2% 1.0 . 3.39 1260 1064 A 67 CYS HB2 A 23 THR HG2% 1.0 . 3.51 1261 1065 A 67 CYS H A 60 LEU HD1% 1.0 . 4.56 1262 1066 A 61 LYS H A 60 LEU HD1% 1.0 . 4.02 1263 1067 A 60 LEU HD1% A 60 LEU HA 1.0 . 2.99 1264 1068 A 59 PHE HB3 A 66 VAL HG2% 1.0 . 5.07 1265 1069 A 55 LYS HB2 A 70 VAL HG2% 1.0 . 5.02 1266 1070 A 66 VAL H A 66 VAL HG2% 1.0 . 4.14 1267 1071 A 67 CYS H A 66 VAL HG2% 1.0 . 3.99 1268 1072 A 60 LEU H A 66 VAL HG2% 1.0 . 4.38 1269 1073 A 66 VAL HG2% A 66 VAL HA 1.0 . 3.36 1270 1074 A 66 VAL HG2% A 59 PHE HA 1.0 . 3.29 1271 1075 A 66 VAL HG2% A 58 VAL HA 1.0 . 4.66 1272 1076 A 35 ILE HA A 66 VAL HG2% 1.0 . 4.65 1273 1077 A 57 MET HG2 A 66 VAL HG2% 1.0 . 4.22 1274 1078 A 38 ALA HB% A 66 VAL HG2% 1.0 . 4.15 1275 1079 A 32 MET H A 64 LEU HD2% 1.0 . 4.46 1276 1080 A 31 GLU H A 64 LEU HD2% 1.0 . 3.85 1277 1081 A 30 ILE H A 64 LEU HD2% 1.0 . 4.06 1278 1082 A 64 LEU HA A 64 LEU HD2% 1.0 . 3.08 1279 1083 A 64 LEU HD2% A 30 ILE HA 1.0 . 3.83 1280 1084 A 64 LEU HD2% A 31 GLU HA 1.0 . 3.41 1281 1085 A 64 LEU HB3 A 64 LEU HD2% 1.0 . 3.48 1282 1086 A 70 VAL HG2% A 54 VAL HG1% 1.0 . 3.94 1283 1087 A 23 THR H A 22 VAL HA 1.0 . 2.76 1284 1088 A 22 VAL HA A 22 VAL HG1% 1.0 . 3.17 1285 1088 A 22 VAL HG2% A 22 VAL HA 1.0 . 3.17 1286 1089 A 23 THR HB A 22 VAL HA 1.0 . 4.84 1287 1090 A 72 THR HG2% A 21 PHE HA 1.0 . 5.19 1288 1091 A 22 VAL H A 72 THR HG2% 1.0 . 5.14 1289 1092 A 73 ALA H A 72 THR HG2% 1.0 . 4.04 1290 1093 A 72 THR H A 72 THR HG2% 1.0 . 3.85 1291 1094 A 75 VAL H A 72 THR HG2% 1.0 . 5.14 1292 1095 A 72 THR HA A 72 THR HG2% 1.0 . 3.15 1293 1096 A 69 ASP HA A 70 VAL HG2% 1.0 . 5.00 1294 1097 A 70 VAL H A 70 VAL HG2% 1.0 . 4.09 1295 1098 A 70 VAL HA A 70 VAL HG2% 1.0 . 3.33 1296 1099 A 70 VAL HG2% A 54 VAL HA 1.0 . 3.70 1297 1100 A 70 VAL HG2% A 71 PRO HD3 1.0 . 4.41 1298 1101 A 70 VAL HG2% A 71 PRO HD2 1.0 . 4.22 1299 1102 A 70 VAL HG2% A 53 LYS HB2 1.0 . 4.06 1300 1102 A 70 VAL HG2% A 53 LYS HB3 1.0 . 4.06 1301 1103 A 43 LYS H A 39 TRP HA 1.0 . 4.74 1302 1104 A 42 LEU HB3 A 39 TRP HA 1.0 . 3.71 1303 1105 A 57 MET HB2 A 54 VAL HG1% 1.0 . 4.61 1304 1106 A 74 SER HA A 73 ALA H 1.0 . 5.37 1305 1107 A 50 ILE HB A 50 ILE HA 1.0 . 2.88 1306 1108 A 50 ILE HA A 50 ILE HG12 1.0 . 3.64 1307 1109 A 50 ILE HD1% A 50 ILE HA 1.0 . 2.97 1308 1110 A 42 LEU HD2% A 39 TRP HA 1.0 . 5.31 1309 1111 A 76 THR HG2% A 80 GLU H 1.0 . 4.87 1310 1112 A 76 THR H A 76 THR HG2% 1.0 . 4.59 1311 1113 A 54 VAL HG1% A 51 ASP HA 1.0 . 5.49 1312 1114 A 54 VAL HG1% A 55 LYS HG2 1.0 . 4.08 1313 1114 A 54 VAL HG1% A 55 LYS HG3 1.0 . 4.08 1314 1115 A 55 LYS H A 54 VAL HG1% 1.0 . 3.63 1315 1116 A 54 VAL HG1% A 56 GLY H 1.0 . 5.24 1316 1117 A 54 VAL HG1% A 57 MET H 1.0 . 4.74 1317 1118 A 54 VAL HG1% A 55 LYS HA 1.0 . 4.67 1318 1119 A 54 VAL HG1% A 54 VAL HA 1.0 . 3.45 1319 1120 A 68 PHE HB3 A 54 VAL HG1% 1.0 . 3.52 1320 1121 A 74 SER HA A 77 GLU HB2 1.0 . 4.31 1321 1122 A 92 VAL HG2% A 24 MET HG3 1.0 . 4.47 1322 1123 A 93 ALA H A 92 VAL HG2% 1.0 . 4.09 1323 1124 A 92 VAL HA A 92 VAL HG2% 1.0 . 3.24 1324 1125 A 92 VAL HG2% A 24 MET HE% 1.0 . 3.51 1325 1126 A 59 PHE HB2 A 58 VAL HA 1.0 . 4.39 1326 1127 A 7 THR HG2% A 7 THR H 1.0 . 3.75 1327 1128 A 6 ALA HB% A 7 THR HG2% 1.0 . 3.31 1328 1129 A 92 VAL H A 92 VAL HG1% 1.0 . 4.49 1329 1130 A 59 PHE H A 58 VAL HA 1.0 . 2.75 1330 1131 A 58 VAL HG2% A 58 VAL HA 1.0 . 3.05 1331 1132 A 52 SER HB2 A 52 SER HA 1.0 . 2.85 1332 1133 A 29 SER HA A 29 SER HB2 1.0 . 2.76 1333 1133 A 29 SER HB3 A 29 SER HA 1.0 . 2.76 1334 1134 A 28 CYS HA A 29 SER HA 1.0 . 5.02 1335 1135 A 43 LYS H A 40 LYS HA 1.0 . 4.15 1336 1136 A 40 LYS HA A 40 LYS HB2 1.0 . 2.77 1337 1136 A 40 LYS HB3 A 40 LYS HA 1.0 . 2.77 1338 1137 A 40 LYS HA A 40 LYS HG3 1.0 . 3.37 1339 1138 A 44 GLU HA A 44 GLU HG3 1.0 . 3.65 1340 1139 A 44 GLU HB2 A 44 GLU HA 1.0 . 2.98 1341 1140 A 93 ALA H A 92 VAL HG1% 1.0 . 3.43 1342 1141 A 92 VAL HA A 92 VAL HG1% 1.0 . 3.26 1343 1142 A 58 VAL H A 58 VAL HG1% 1.0 . 4.03 1344 1143 A 57 MET HA A 58 VAL HG1% 1.0 . 4.89 1345 1144 A 58 VAL HA A 58 VAL HG1% 1.0 . 3.30 1346 1145 A 19 VAL HG2% A 72 THR HG2% 1.0 . 3.21 1347 1146 A 50 ILE HA A 54 VAL HG2% 1.0 . 5.07 1348 1147 A 55 LYS H A 54 VAL HG2% 1.0 . 4.36 1349 1148 A 53 LYS H A 54 VAL HG2% 1.0 . 4.63 1350 1149 A 54 VAL H A 54 VAL HG2% 1.0 . 3.29 1351 1150 A 68 PHE HD% A 54 VAL HG2% 1.0 . 3.86 1352 1151 A 54 VAL HG2% A 54 VAL HA 1.0 . 3.25 1353 1152 A 54 VAL HG2% A 51 ASP HA 1.0 . 4.11 1354 1153 A 54 VAL HG2% A 50 ILE HG12 1.0 . 4.22 1355 1154 A 26 LEU H A 25 ILE HA 1.0 . 2.82 1356 1155 A 79 GLN HA A 90 LEU HD2% 1.0 . 4.77 1357 1156 A 19 VAL H A 19 VAL HG2% 1.0 . 3.84 1358 1157 A 60 LEU H A 59 PHE HA 1.0 . 2.95 1359 1158 A 60 LEU HG A 59 PHE HA 1.0 . 4.10 1360 1159 A 25 ILE HA A 26 LEU HD2% 1.0 . 5.50 1361 1160 A 31 GLU H A 30 ILE HA 1.0 . 2.79 1362 1161 A 79 GLN HA A 82 TRP HB2 1.0 . 3.69 1363 1161 A 79 GLN HA A 82 TRP HB3 1.0 . 3.69 1364 1162 A 79 GLN HA A 81 LYS H 1.0 . 4.51 1365 1163 A 79 GLN HA A 79 GLN HG3 1.0 . 3.10 1366 1164 A 79 GLN HA A 78 ILE HG2% 1.0 . 4.13 1367 1165 A 72 THR HB A 19 VAL HG1% 1.0 . 4.68 1368 1166 A 10 ASP H A 9 VAL HG2% 1.0 . 4.39 1369 1167 A 81 LYS H A 77 GLU HA 1.0 . 5.47 1370 1168 A 77 GLU HA A 77 GLU HB2 1.0 . 2.81 1371 1169 A 76 THR HG2% A 77 GLU HA 1.0 . 4.72 1372 1170 A 79 GLN H A 77 GLU HA 1.0 . 4.94 1373 1171 A 50 ILE H A 48 GLU HA 1.0 . 4.27 1374 1172 A 47 GLY HA3 A 48 GLU HA 1.0 . 4.51 1375 1173 A 48 GLU HA A 43 LYS HE3 1.0 . 4.40 1376 1174 A 48 GLU HA A 48 GLU HB2 1.0 . 2.93 1377 1175 A 43 LYS HB3 A 48 GLU HA 1.0 . 4.16 1378 1176 A 43 LYS HB2 A 48 GLU HA 1.0 . 3.01 1379 1177 A 43 LYS HG3 A 48 GLU HA 1.0 . 3.51 1380 1178 A 50 ILE HG2% A 48 GLU HA 1.0 . 4.38 1381 1179 A 9 VAL HG2% A 9 VAL HA 1.0 . 3.57 1382 1180 A 67 CYS H A 66 VAL HA 1.0 . 2.97 1383 1181 A 60 LEU H A 66 VAL HA 1.0 . 3.41 1384 1182 A 59 PHE HD% A 66 VAL HA 1.0 . 4.74 1385 1183 A 66 VAL HA A 59 PHE HA 1.0 . 3.42 1386 1184 A 66 VAL HA A 60 LEU HG 1.0 . 3.69 1387 1185 A 80 GLU H A 77 GLU HA 1.0 . 3.94 1388 1186 A 20 GLY H A 19 VAL HG1% 1.0 . 4.41 1389 1187 A 19 VAL H A 19 VAL HG1% 1.0 . 3.30 1390 1188 A 18 ASN HA A 19 VAL HG1% 1.0 . 5.17 1391 1189 A 19 VAL HA A 19 VAL HG1% 1.0 . 3.48 1392 1190 A 18 ASN HA A 17 SER HA 1.0 . 4.51 1393 1191 A 9 VAL H A 9 VAL HG1% 1.0 . 3.97 1394 1192 A 14 LEU H A 13 SER HA 1.0 . 3.11 1395 1193 A 82 TRP HA A 46 LEU HD1% 1.0 . 4.44 1396 1193 A 82 TRP HA A 46 LEU HD2% 1.0 . 4.44 1397 1194 A 43 LYS HB2 A 43 LYS HA 1.0 . 3.01 1398 1195 A 50 ILE HG2% A 43 LYS HA 1.0 . 3.40 1399 1196 A 44 GLU HB3 A 41 GLU HA 1.0 . 3.60 1400 1197 A 42 LEU HD2% A 43 LYS HA 1.0 . 5.50 1401 1198 A 44 GLU HB2 A 41 GLU HA 1.0 . 3.85 1402 1199 A 82 TRP HA A 81 LYS H 1.0 . 5.38 1403 1200 A 82 TRP HA A 45 GLN HB2 1.0 . 4.16 1404 1201 A 82 TRP HA A 83 HIS HA 1.0 . 4.70 1405 1202 A 86 ARG HA A 86 ARG HD2 1.0 . 4.06 1406 1202 A 86 ARG HD3 A 86 ARG HA 1.0 . 4.06 1407 1203 A 86 ARG HA A 86 ARG HB2 1.0 . 2.85 1408 1203 A 86 ARG HB3 A 86 ARG HA 1.0 . 2.85 1409 1204 A 43 LYS HG3 A 43 LYS HA 1.0 . 3.11 1410 1205 A 46 LEU H A 42 LEU HA 1.0 . 4.46 1411 1206 A 82 TRP HZ3 A 42 LEU HA 1.0 . 3.63 1412 1207 A 45 GLN H A 42 LEU HA 1.0 . 4.43 1413 1208 A 9 VAL HG2% A 8 SER HA 1.0 . 3.93 1414 1209 A 66 VAL H A 66 VAL HG1% 1.0 . 3.42 1415 1210 A 67 CYS H A 66 VAL HG1% 1.0 . 3.63 1416 1211 A 68 PHE HD% A 66 VAL HG1% 1.0 . 4.00 1417 1212 A 66 VAL HA A 66 VAL HG1% 1.0 . 4.01 1418 1213 A 66 VAL HG1% A 26 LEU HD1% 1.0 . 4.21 1419 1214 A 66 VAL HG1% A 57 MET HE% 1.0 . 3.58 1420 1215 A 9 VAL H A 8 SER HA 1.0 . 3.04 1421 1216 A 62 GLY H A 61 LYS HA 1.0 . 3.25 1422 1217 A 50 ILE HG2% A 43 LYS HE2 1.0 . 4.64 1423 1218 A 51 ASP H A 50 ILE HG2% 1.0 . 3.60 1424 1219 A 50 ILE H A 50 ILE HG2% 1.0 . 3.19 1425 1220 A 42 LEU HD1% A 50 ILE HG2% 1.0 . 4.45 1426 1221 A 70 VAL HG1% A 70 VAL H 1.0 . 3.38 1427 1222 A 70 VAL HG1% A 70 VAL HA 1.0 . 3.96 1428 1223 A 70 VAL HG1% A 74 SER HB3 1.0 . 4.85 1429 1224 A 70 VAL HA A 54 VAL HG2% 1.0 . 5.27 1430 1225 A 6 ALA HB% A 7 THR H 1.0 . 3.72 1431 1226 A 70 VAL HA A 21 PHE HE% 1.0 . 4.84 1432 1227 A 70 VAL HA A 54 VAL HA 1.0 . 3.91 1433 1228 A 70 VAL HA A 71 PRO HD3 1.0 . 2.97 1434 1229 A 70 VAL HA A 71 PRO HD2 1.0 . 3.37 1435 1230 A 66 VAL H A 38 ALA HB% 1.0 . 5.42 1436 1231 A 81 LYS HA A 81 LYS HE2 1.0 . 5.11 1437 1231 A 81 LYS HE3 A 81 LYS HA 1.0 . 5.11 1438 1232 A 81 LYS HG3 A 81 LYS HA 1.0 . 3.52 1439 1233 A 38 ALA HB% A 38 ALA H 1.0 . 3.13 1440 1234 A 39 TRP H A 38 ALA HB% 1.0 . 3.43 1441 1235 A 38 ALA HB% A 66 VAL HB 1.0 . 4.40 1442 1236 A 38 ALA HB% A 66 VAL HG1% 1.0 . 3.42 1443 1237 A 38 ALA HB% A 26 LEU HD1% 1.0 . 3.89 1444 1238 A 38 ALA HB% A 42 LEU HD1% 1.0 . 4.95 1445 1239 A 38 ALA HB% A 40 LYS H 1.0 . 5.50 1446 1240 A 38 ALA HB% A 37 TYR HB2 1.0 . 4.84 1447 1241 A 93 ALA H A 93 ALA HB% 1.0 . 3.04 1448 1242 A 95 GLU H A 93 ALA HB% 1.0 . 4.60 1449 1243 A 24 MET HA A 93 ALA HB% 1.0 . 4.22 1450 1244 A 23 THR HB A 93 ALA HB% 1.0 . 3.30 1451 1245 A 93 ALA HB% A 92 VAL HG2% 1.0 . 3.60 1452 1246 A 90 LEU HA A 91 SER HA 1.0 . 4.68 1453 1247 A 50 ILE HG2% A 49 GLU HA 1.0 . 5.32 1454 1248 A 22 VAL H A 21 PHE HA 1.0 . 2.99 1455 1249 A 72 THR H A 21 PHE HA 1.0 . 3.41 1456 1250 A 71 PRO HA A 21 PHE HA 1.0 . 3.19 1457 1251 A 21 PHE HA A 22 VAL HG1% 1.0 . 4.97 1458 1251 A 22 VAL HG2% A 21 PHE HA 1.0 . 4.97 1459 1252 A 22 VAL HB A 21 PHE HA 1.0 . 4.63 1460 1253 A 71 PRO HB2 A 21 PHE HA 1.0 . 4.91 1461 1254 A 92 VAL H A 91 SER HA 1.0 . 2.83 1462 1255 A 43 LYS HG3 A 49 GLU HA 1.0 . 4.75 1463 1256 A 51 ASP H A 49 GLU HA 1.0 . 3.71 1464 1257 A 49 GLU HA A 49 GLU HB3 1.0 . 2.94 1465 1258 A 70 VAL H A 21 PHE HA 1.0 . 4.89 1466 1259 A 30 ILE H A 31 GLU HA 1.0 . 5.08 1467 1260 A 32 MET H A 31 GLU HA 1.0 . 2.84 1468 1261 A 31 GLU HA A 32 MET HA 1.0 . 4.34 1469 1262 A 31 GLU HA A 32 MET HG2 1.0 . 4.87 1470 1262 A 32 MET HG3 A 31 GLU HA 1.0 . 4.87 1471 1263 A 31 GLU HG3 A 31 GLU HA 1.0 . 3.69 1472 1264 A 64 LEU HG A 31 GLU HA 1.0 . 4.40 1473 1265 A 64 LEU HD1% A 31 GLU HA 1.0 . 4.98 1474 1266 A 73 ALA H A 73 ALA HB% 1.0 . 2.94 1475 1267 A 72 THR H A 73 ALA HB% 1.0 . 5.42 1476 1268 A 74 SER H A 73 ALA HB% 1.0 . 3.80 1477 1269 A 75 VAL H A 73 ALA HB% 1.0 . 4.96 1478 1270 A 74 SER HA A 73 ALA HB% 1.0 . 5.08 1479 1271 A 72 THR HB A 73 ALA HB% 1.0 . 4.75 1480 1272 A 72 THR HG2% A 73 ALA HB% 1.0 . 4.30 1481 1273 A 29 SER H A 87 ARG HA 1.0 . 3.96 1482 1274 A 87 ARG HA A 29 SER HB2 1.0 . 3.52 1483 1274 A 29 SER HB3 A 87 ARG HA 1.0 . 3.52 1484 1275 A 87 ARG HA A 87 ARG HG2 1.0 . 3.77 1485 1276 A 66 VAL H A 32 MET HE% 1.0 . 4.14 1486 1277 A 28 CYS H A 32 MET HE% 1.0 . 4.71 1487 1278 A 32 MET H A 32 MET HE% 1.0 . 4.27 1488 1279 A 65 GLY H A 32 MET HE% 1.0 . 3.09 1489 1280 A 32 MET HE% A 88 TRP HH2 1.0 . 3.84 1490 1281 A 32 MET HE% A 88 TRP HZ3 1.0 . 3.91 1491 1282 A 32 MET HE% A 65 GLY HA2 1.0 . 4.02 1492 1283 A 65 GLY HA3 A 32 MET HE% 1.0 . 3.51 1493 1284 A 32 MET HE% A 32 MET HG2 1.0 . 3.83 1494 1284 A 32 MET HE% A 32 MET HG3 1.0 . 3.83 1495 1285 A 66 VAL HB A 32 MET HE% 1.0 . 3.13 1496 1286 A 38 ALA HB% A 32 MET HE% 1.0 . 3.48 1497 1287 A 32 MET HE% A 66 VAL HG2% 1.0 . 3.26 1498 1288 A 58 VAL H A 57 MET HA 1.0 . 2.91 1499 1289 A 68 PHE HB2 A 57 MET HA 1.0 . 3.74 1500 1290 A 57 MET HG2 A 57 MET HA 1.0 . 3.49 1501 1291 A 68 PHE HA A 23 THR HG2% 1.0 . 3.79 1502 1292 A 11 GLN HA A 11 GLN HG2 1.0 . 3.64 1503 1292 A 11 GLN HG3 A 11 GLN HA 1.0 . 3.64 1504 1293 A 11 GLN HA A 12 ARG HG3 1.0 . 4.69 1505 1293 A 11 GLN HA A 12 ARG HG2 1.0 . 4.69 1506 1294 A 68 PHE HA A 57 MET HA 1.0 . 2.98 1507 1295 A 69 ASP H A 68 PHE HA 1.0 . 3.10 1508 1296 A 68 PHE HD% A 68 PHE HA 1.0 . 3.68 1509 1297 A 39 TRP HZ2 A 51 ASP HA 1.0 . 5.15 1510 1298 A 31 GLU H A 30 ILE HG2% 1.0 . 3.88 1511 1299 A 50 ILE HG2% A 51 ASP HA 1.0 . 4.41 1512 1300 A 30 ILE HG2% A 30 ILE HA 1.0 . 3.15 1513 1301 A 15 ILE H A 15 ILE HG2% 1.0 . 4.39 1514 1302 A 25 ILE H A 25 ILE HG2% 1.0 . 4.08 1515 1303 A 25 ILE HG2% A 25 ILE HA 1.0 . 3.47 1516 1304 A 25 ILE HG2% A 67 CYS HA 1.0 . 4.84 1517 1305 A 25 ILE HG2% A 26 LEU HA 1.0 . 4.46 1518 1306 A 25 ILE HG2% A 25 ILE HG12 1.0 . 3.70 1519 1306 A 25 ILE HG13 A 25 ILE HG2% 1.0 . 3.70 1520 1307 A 25 ILE HG2% A 91 SER HB2 1.0 . 5.50 1521 1307 A 25 ILE HG2% A 91 SER HB3 1.0 . 5.50 1522 1308 A 28 CYS HA A 30 ILE H 1.0 . 4.32 1523 1309 A 88 TRP HE3 A 28 CYS HA 1.0 . 4.67 1524 1310 A 26 LEU H A 67 CYS HA 1.0 . 3.38 1525 1311 A 68 PHE H A 67 CYS HA 1.0 . 2.91 1526 1312 A 67 CYS HA A 25 ILE HA 1.0 . 3.22 1527 1313 A 15 ILE H A 14 LEU HA 1.0 . 3.31 1528 1314 A 14 LEU HB3 A 14 LEU HA 1.0 . 2.96 1529 1315 A 91 SER H A 24 MET HE% 1.0 . 4.53 1530 1316 A 25 ILE H A 24 MET HE% 1.0 . 4.21 1531 1317 A 79 GLN H A 24 MET HE% 1.0 . 4.12 1532 1318 A 79 GLN HE21 A 24 MET HE% 1.0 . 4.46 1533 1319 A 79 GLN HE22 A 24 MET HE% 1.0 . 4.20 1534 1320 A 24 MET HA A 24 MET HE% 1.0 . 3.88 1535 1321 A 92 VAL HA A 24 MET HE% 1.0 . 3.92 1536 1322 A 79 GLN HA A 24 MET HE% 1.0 . 4.74 1537 1323 A 79 GLN HG2 A 24 MET HE% 1.0 . 3.93 1538 1324 A 79 GLN HG3 A 24 MET HE% 1.0 . 3.47 1539 1325 A 24 MET HE% A 24 MET HG3 1.0 . 3.51 1540 1326 A 24 MET HB2 A 24 MET HE% 1.0 . 3.65 1541 1327 A 24 MET HE% A 26 LEU HD2% 1.0 . 3.55 1542 1328 A 90 LEU HD2% A 24 MET HE% 1.0 . 3.34 1543 1329 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.43 1544 1330 A 14 LEU HB3 A 15 ILE HG2% 1.0 . 4.32 1545 1331 A 82 TRP HE1 A 89 GLN HA 1.0 . 4.01 1546 1332 A 90 LEU H A 89 GLN HA 1.0 . 2.99 1547 1333 A 89 GLN HG3 A 89 GLN HA 1.0 . 3.77 1548 1334 A 84 ASP HA A 89 GLN HA 1.0 . 4.12 1549 1335 A 35 ILE HG2% A 34 ASN HA 1.0 . 4.47 1550 1336 A 35 ILE H A 35 ILE HG2% 1.0 . 3.37 1551 1337 A 36 SER H A 35 ILE HG2% 1.0 . 3.72 1552 1338 A 35 ILE HD1% A 35 ILE HG2% 1.0 . 3.13 1553 1339 A 84 ASP HB2 A 89 GLN HA 1.0 . 4.75 1554 1340 A 82 TRP HE1 A 84 ASP HA 1.0 . 3.19 1555 1341 A 39 TRP HE1 A 35 ILE HG2% 1.0 . 4.41 1556 1342 A 78 ILE HG2% A 79 GLN HG2 1.0 . 5.07 1557 1343 A 27 GLN H A 88 TRP HA 1.0 . 5.06 1558 1344 A 29 SER H A 88 TRP HA 1.0 . 4.71 1559 1345 A 28 CYS HA A 88 TRP HA 1.0 . 3.70 1560 1346 A 88 TRP HA A 89 GLN HB2 1.0 . 4.90 1561 1346 A 89 GLN HB3 A 88 TRP HA 1.0 . 4.90 1562 1347 A 78 ILE HG13 A 78 ILE HG2% 1.0 . 3.07 1563 1348 A 78 ILE HG2% A 42 LEU HD1% 1.0 . 4.89 1564 1349 A 78 ILE HG2% A 78 ILE H 1.0 . 4.07 1565 1350 A 78 ILE HG2% A 78 ILE HA 1.0 . 3.44 1566 1351 A 78 ILE HG2% A 82 TRP HB2 1.0 . 3.87 1567 1351 A 78 ILE HG2% A 82 TRP HB3 1.0 . 3.87 1568 1352 A 78 ILE HG2% A 90 LEU HD2% 1.0 . 3.78 1569 1353 A 65 GLY H A 64 LEU HA 1.0 . 3.40 1570 1354 A 64 LEU HA A 31 GLU HA 1.0 . 3.61 1571 1355 A 46 LEU HA A 81 LYS HB2 1.0 . 3.34 1572 1356 A 46 LEU HA A 46 LEU HD1% 1.0 . 3.37 1573 1356 A 46 LEU HD2% A 46 LEU HA 1.0 . 3.37 1574 1357 A 41 GLU H A 38 ALA HA 1.0 . 4.43 1575 1358 A 32 MET HE% A 38 ALA HA 1.0 . 5.50 1576 1359 A 38 ALA HA A 26 LEU HD1% 1.0 . 3.99 1577 1360 A 42 LEU H A 38 ALA HA 1.0 . 4.98 1578 1361 A 84 ASP H A 83 HIS HA 1.0 . 3.08 1579 1362 A 11 GLN H A 10 ASP HA 1.0 . 2.93 1580 1363 A 73 ALA HA A 72 THR HG2% 1.0 . 4.68 1581 1364 A 61 LYS H A 60 LEU HA 1.0 . 2.93 1582 1365 A 25 ILE H A 24 MET HA 1.0 . 3.07 1583 1366 A 33 PRO HD2 A 32 MET HA 1.0 . 3.08 1584 1367 A 32 MET HA A 32 MET HG2 1.0 . 3.44 1585 1367 A 32 MET HG3 A 32 MET HA 1.0 . 3.44 1586 1368 A 32 MET HA A 33 PRO HD3 1.0 . 3.27 1587 1369 A 31 GLU HB3 A 32 MET HA 1.0 . 4.68 1588 1370 A 39 TRP HE1 A 57 MET HE% 1.0 . 4.61 1589 1371 A 57 MET H A 57 MET HE% 1.0 . 4.68 1590 1372 A 57 MET HA A 57 MET HE% 1.0 . 4.67 1591 1373 A 54 VAL HG1% A 57 MET HE% 1.0 . 3.40 1592 1374 A 39 TRP H A 57 MET HE% 1.0 . 4.46 1593 1375 A 39 TRP HA A 57 MET HE% 1.0 . 4.26 1594 1376 A 68 PHE HB2 A 57 MET HE% 1.0 . 4.01 1595 1377 A 57 MET HG2 A 57 MET HE% 1.0 . 3.40 1596 1378 A 57 MET HB2 A 57 MET HE% 1.0 . 3.42 1597 1379 A 38 ALA HB% A 57 MET HE% 1.0 . 3.88 1598 1380 A 57 MET HE% A 54 VAL HG2% 1.0 . 4.46 1599 1381 A 90 LEU HA A 26 LEU HD2% 1.0 . 3.46 1600 1382 A 34 ASN H A 32 MET HA 1.0 . 4.76 1601 1383 A 39 TRP HB2 A 57 MET HE% 1.0 . 4.67 1602 1384 A 24 MET H A 69 ASP HA 1.0 . 3.75 1603 1385 A 70 VAL H A 69 ASP HA 1.0 . 2.90 1604 1386 A 69 ASP HA A 23 THR HA 1.0 . 3.18 1605 1387 A 70 VAL HG1% A 69 ASP HA 1.0 . 4.50 1606 1388 A 90 LEU HD1% A 26 LEU HA 1.0 . 4.11 1607 1389 A 93 ALA HA A 92 VAL HG2% 1.0 . 4.81 1608 1390 A 35 ILE H A 34 ASN HA 1.0 . 2.99 1609 1391 A 7 THR H A 6 ALA HA 1.0 . 3.36 1610 1392 A 75 VAL H A 78 ILE HD1% 1.0 . 5.05 1611 1393 A 50 ILE H A 50 ILE HD1% 1.0 . 4.49 1612 1394 A 50 ILE HB A 50 ILE HD1% 1.0 . 3.07 1613 1395 A 79 GLN H A 78 ILE HD1% 1.0 . 4.60 1614 1396 A 78 ILE HD1% A 74 SER HB2 1.0 . 4.11 1615 1397 A 78 ILE HD1% A 78 ILE HB 1.0 . 2.85 1616 1398 A 78 ILE HD1% A 78 ILE HA 1.0 . 5.21 1617 1399 A 39 TRP HE1 A 35 ILE HD1% 1.0 . 4.48 1618 1400 A 35 ILE HD1% A 35 ILE H 1.0 . 4.78 1619 1401 A 35 ILE HD1% A 59 PHE H 1.0 . 4.42 1620 1402 A 35 ILE HD1% A 39 TRP HZ2 1.0 . 4.70 1621 1403 A 35 ILE HD1% A 57 MET HA 1.0 . 5.39 1622 1404 A 35 ILE HD1% A 58 VAL HA 1.0 . 3.98 1623 1405 A 35 ILE HD1% A 35 ILE HA 1.0 . 3.96 1624 1406 A 35 ILE HD1% A 59 PHE HB2 1.0 . 5.23 1625 1407 A 57 MET HG2 A 35 ILE HD1% 1.0 . 3.59 1626 1408 A 35 ILE HD1% A 35 ILE HB 1.0 . 3.44 1627 1409 A 35 ILE HD1% A 66 VAL HB 1.0 . 4.94 1628 1410 A 35 ILE HD1% A 66 VAL HG2% 1.0 . 3.46 1629 1411 A 31 GLU H A 30 ILE HD1% 1.0 . 4.76 1630 1412 A 30 ILE H A 30 ILE HD1% 1.0 . 4.27 1631 1413 A 30 ILE HB A 30 ILE HD1% 1.0 . 3.27 1632 1414 A 24 MET HA A 25 ILE HD1% 1.0 . 4.39 1633 1415 A 25 ILE HB A 25 ILE HD1% 1.0 . 3.36 1634 1416 A 26 LEU H A 25 ILE HD1% 1.0 . 4.72 1635 1417 A 25 ILE H A 25 ILE HD1% 1.0 . 4.23 1636 1418 A 68 PHE H A 25 ILE HD1% 1.0 . 4.69 1637 1419 A 67 CYS HA A 25 ILE HD1% 1.0 . 4.90 1638 1420 A 25 ILE HA A 25 ILE HD1% 1.0 . 3.87 1639 1421 A 93 ALA HA A 25 ILE HD1% 1.0 . 3.66 1640 1422 A 67 CYS HB2 A 25 ILE HD1% 1.0 . 4.36 1641 1423 A 67 CYS HB3 A 25 ILE HD1% 1.0 . 4.40 1642 1424 A 15 ILE HA A 15 ILE HD1% 1.0 . 4.44 1643 1425 A 15 ILE H A 15 ILE HD1% 1.0 . 4.67 1644 1426 A 15 ILE HB A 15 ILE HD1% 1.0 . 3.61 1645 1427 A 21 PHE HE% A 71 PRO HD3 1.0 . 4.59 1646 1428 A 21 PHE HE% A 71 PRO HD2 1.0 . 5.50 1647 1429 A 70 VAL HB A 71 PRO HD2 1.0 . 3.16 1648 1430 A 70 VAL HG1% A 71 PRO HD2 1.0 . 4.72 1649 1431 A 37 TYR HD% A 33 PRO HD3 1.0 . 5.50 1650 1432 A 34 ASN H A 33 PRO HD3 1.0 . 4.02 1651 1433 A 31 GLU HB3 A 33 PRO HD3 1.0 . 3.40 1652 1434 A 37 TYR HE% A 33 PRO HD3 1.0 . 4.99 1653 1435 A 33 PRO HD3 A 32 MET HG2 1.0 . 5.05 1654 1435 A 32 MET HG3 A 33 PRO HD3 1.0 . 5.05 1655 1436 A 37 TYR H A 37 TYR HD% 1.0 . 2.98 1656 1437 A 37 TYR HD% A 34 ASN HD22 1.0 . 3.28 1657 1438 A 37 TYR HD% A 34 ASN H 1.0 . 3.02 1658 1439 A 37 TYR HD% A 37 TYR HA 1.0 . 3.43 1659 1440 A 37 TYR HD% A 32 MET HG2 1.0 . 3.86 1660 1440 A 37 TYR HD% A 32 MET HG3 1.0 . 3.86 1661 1441 A 37 TYR HD% A 33 PRO HB3 1.0 . 5.44 1662 1442 A 68 PHE H A 68 PHE HD% 1.0 . 3.79 1663 1443 A 68 PHE HD% A 57 MET HG3 1.0 . 3.72 1664 1444 A 69 ASP H A 68 PHE HD% 1.0 . 3.88 1665 1445 A 67 CYS HA A 68 PHE HD% 1.0 . 4.08 1666 1446 A 68 PHE HD% A 57 MET HA 1.0 . 4.72 1667 1447 A 68 PHE HD% A 54 VAL HA 1.0 . 4.55 1668 1448 A 68 PHE HD% A 70 VAL HG2% 1.0 . 3.03 1669 1449 A 68 PHE HD% A 54 VAL HG1% 1.0 . 3.03 1670 1450 A 68 PHE HD% A 57 MET HE% 1.0 . 3.68 1671 1451 A 21 PHE HD% A 22 VAL H 1.0 . 4.27 1672 1452 A 21 PHE HD% A 21 PHE H 1.0 . 4.06 1673 1453 A 70 VAL HA A 21 PHE HD% 1.0 . 4.15 1674 1454 A 21 PHE HD% A 21 PHE HA 1.0 . 3.92 1675 1455 A 21 PHE HD% A 71 PRO HA 1.0 . 3.70 1676 1456 A 21 PHE HD% A 69 ASP HB2 1.0 . 3.54 1677 1456 A 69 ASP HB3 A 21 PHE HD% 1.0 . 3.54 1678 1457 A 35 ILE H A 59 PHE HD% 1.0 . 5.41 1679 1458 A 59 PHE HD% A 59 PHE HA 1.0 . 3.34 1680 1459 A 59 PHE HD% A 32 MET HE% 1.0 . 3.63 1681 1460 A 35 ILE HB A 59 PHE HD% 1.0 . 4.22 1682 1461 A 59 PHE HD% A 66 VAL HG2% 1.0 . 3.68 1683 1462 A 32 MET H A 59 PHE HE% 1.0 . 4.05 1684 1463 A 66 VAL HG2% A 59 PHE HE% 1.0 . 4.10 1685 1464 A 21 PHE HE% A 69 ASP HB2 1.0 . 4.81 1686 1464 A 69 ASP HB3 A 21 PHE HE% 1.0 . 4.81 1687 1465 A 35 ILE H A 59 PHE HE% 1.0 . 4.64 1688 1466 A 35 ILE HB A 59 PHE HE% 1.0 . 4.07 1689 1467 A 32 MET HB2 A 59 PHE HE% 1.0 . 3.49 1690 1468 A 71 PRO HA A 21 PHE HE% 1.0 . 4.03 1691 1469 A 21 PHE HE% A 71 PRO HG2 1.0 . 4.40 1692 1470 A 21 PHE HE% A 55 LYS HD2 1.0 . 4.69 1693 1471 A 21 PHE HD% A 21 PHE HZ 1.0 . 4.13 1694 1472 A 71 PRO HA A 21 PHE HZ 1.0 . 4.75 1695 1473 A 35 ILE HG2% A 59 PHE HZ 1.0 . 4.58 1696 1474 A 35 ILE H A 59 PHE HZ 1.0 . 3.91 1697 1475 A 34 ASN HA A 59 PHE HZ 1.0 . 3.57 1698 1476 A 35 ILE HA A 59 PHE HZ 1.0 . 3.94 1699 1477 A 35 ILE HB A 59 PHE HZ 1.0 . 3.86 1700 1478 A 88 TRP H A 88 TRP HD1 1.0 . 3.77 1701 1479 A 88 TRP HB2 A 88 TRP HD1 1.0 . 3.42 1702 1480 A 87 ARG HB3 A 88 TRP HD1 1.0 . 3.35 1703 1481 A 41 GLU HG3 A 88 TRP HD1 1.0 . 3.84 1704 1482 A 35 ILE HD1% A 39 TRP HD1 1.0 . 4.77 1705 1483 A 82 TRP HD1 A 84 ASP H 1.0 . 3.78 1706 1484 A 82 TRP HD1 A 83 HIS H 1.0 . 3.91 1707 1485 A 82 TRP HD1 A 82 TRP H 1.0 . 4.64 1708 1486 A 82 TRP HD1 A 83 HIS HA 1.0 . 3.96 1709 1487 A 82 TRP HD1 A 82 TRP HB2 1.0 . 3.08 1710 1487 A 82 TRP HD1 A 82 TRP HB3 1.0 . 3.08 1711 1488 A 82 TRP HD1 A 90 LEU HB3 1.0 . 4.40 1712 1489 A 82 TRP HD1 A 84 ASP HA 1.0 . 4.55 1713 1490 A 38 ALA H A 39 TRP HD1 1.0 . 4.81 1714 1491 A 36 SER HA A 39 TRP HD1 1.0 . 3.07 1715 1492 A 39 TRP HD1 A 36 SER HB2 1.0 . 4.47 1716 1492 A 36 SER HB3 A 39 TRP HD1 1.0 . 4.47 1717 1493 A 39 TRP HB2 A 39 TRP HD1 1.0 . 3.15 1718 1494 A 39 TRP HD1 A 35 ILE HG13 1.0 . 4.24 1719 1495 A 35 ILE HG2% A 39 TRP HD1 1.0 . 3.25 1720 1496 A 36 SER H A 39 TRP HD1 1.0 . 4.67 1721 1497 A 88 TRP HB2 A 82 TRP HH2 1.0 . 4.16 1722 1498 A 57 MET HB2 A 39 TRP HH2 1.0 . 5.12 1723 1499 A 88 TRP HB3 A 82 TRP HH2 1.0 . 3.74 1724 1500 A 41 GLU HG2 A 82 TRP HH2 1.0 . 3.36 1725 1501 A 41 GLU HG3 A 82 TRP HH2 1.0 . 3.01 1726 1502 A 42 LEU HD2% A 82 TRP HH2 1.0 . 5.40 1727 1503 A 42 LEU HA A 82 TRP HH2 1.0 . 4.94 1728 1504 A 39 TRP HH2 A 51 ASP HA 1.0 . 3.53 1729 1505 A 39 TRP HH2 A 54 VAL HB 1.0 . 3.21 1730 1506 A 39 TRP HH2 A 54 VAL HG2% 1.0 . 3.69 1731 1507 A 54 VAL HG1% A 39 TRP HH2 1.0 . 3.43 1732 1508 A 39 TRP HH2 A 57 MET HE% 1.0 . 4.84 1733 1509 A 42 LEU HD1% A 82 TRP HH2 1.0 . 5.25 1734 1510 A 42 LEU H A 82 TRP HH2 1.0 . 4.62 1735 1511 A 88 TRP HH2 A 32 MET HG2 1.0 . 4.06 1736 1511 A 32 MET HG3 A 88 TRP HH2 1.0 . 4.06 1737 1512 A 66 VAL HG1% A 88 TRP HH2 1.0 . 5.00 1738 1513 A 88 TRP HH2 A 38 ALA HA 1.0 . 3.52 1739 1514 A 37 TYR HB2 A 88 TRP HH2 1.0 . 3.72 1740 1515 A 38 ALA HB% A 88 TRP HH2 1.0 . 3.79 1741 1516 A 88 TRP HH2 A 26 LEU HD2% 1.0 . 4.44 1742 1516 A 88 TRP HH2 A 26 LEU HD1% 1.0 . 4.44 1743 1517 A 88 TRP HZ3 A 38 ALA HA 1.0 . 4.56 1744 1518 A 38 ALA HB% A 88 TRP HZ3 1.0 . 4.43 1745 1519 A 88 TRP HZ3 A 28 CYS HB2 1.0 . 3.73 1746 1519 A 28 CYS HB3 A 88 TRP HZ3 1.0 . 3.73 1747 1520 A 88 TRP HZ3 A 26 LEU HD2% 1.0 . 3.91 1748 1520 A 88 TRP HZ3 A 26 LEU HD1% 1.0 . 3.91 1749 1521 A 26 LEU HG A 88 TRP HZ3 1.0 . 3.66 1750 1522 A 88 TRP HE3 A 28 CYS HB2 1.0 . 4.29 1751 1522 A 88 TRP HE3 A 28 CYS HB3 1.0 . 4.29 1752 1523 A 88 TRP HE3 A 26 LEU HD2% 1.0 . 3.94 1753 1523 A 88 TRP HE3 A 26 LEU HD1% 1.0 . 3.94 1754 1524 A 88 TRP HE3 A 88 TRP HA 1.0 . 3.87 1755 1525 A 88 TRP HE3 A 88 TRP HB3 1.0 . 4.11 1756 1526 A 42 LEU HD1% A 82 TRP HZ3 1.0 . 4.83 1757 1527 A 39 TRP HZ3 A 51 ASP HA 1.0 . 3.34 1758 1528 A 39 TRP HZ3 A 54 VAL HB 1.0 . 3.48 1759 1529 A 39 TRP HZ3 A 50 ILE HG2% 1.0 . 3.45 1760 1530 A 39 TRP HZ3 A 54 VAL HG2% 1.0 . 3.65 1761 1531 A 82 TRP HZ3 A 42 LEU HD2% 1.0 . 3.52 1762 1532 A 82 TRP HZ3 A 41 GLU HG2 1.0 . 4.14 1763 1533 A 83 HIS H A 83 HIS HD2 1.0 . 5.07 1764 1534 A 42 LEU HA A 82 TRP HE3 1.0 . 4.61 1765 1535 A 45 GLN HB2 A 82 TRP HE3 1.0 . 4.07 1766 1536 A 42 LEU HD2% A 82 TRP HE3 1.0 . 4.12 1767 1537 A 82 TRP HA A 82 TRP HE3 1.0 . 4.11 1768 1538 A 82 TRP HE3 A 82 TRP HB2 1.0 . 3.62 1769 1538 A 82 TRP HB3 A 82 TRP HE3 1.0 . 3.62 1770 1539 A 90 LEU HD2% A 82 TRP HE3 1.0 . 4.14 1771 1540 A 42 LEU H A 39 TRP HE3 1.0 . 5.50 1772 1541 A 39 TRP HE3 A 39 TRP HA 1.0 . 3.02 1773 1542 A 39 TRP HE3 A 39 TRP HB3 1.0 . 3.55 1774 1543 A 43 LYS HG2 A 39 TRP HE3 1.0 . 4.16 1775 1544 A 50 ILE HG2% A 39 TRP HE3 1.0 . 3.81 1776 1545 A 37 TYR HE% A 34 ASN HD22 1.0 . 4.04 1777 1546 A 37 TYR HE% A 37 TYR HA 1.0 . 4.87 1778 1547 A 37 TYR HE% A 33 PRO HD2 1.0 . 4.63 1779 1548 A 39 TRP HZ2 A 54 VAL HB 1.0 . 4.86 1780 1549 A 57 MET HB3 A 39 TRP HZ2 1.0 . 3.84 1781 1550 A 57 MET HB2 A 39 TRP HZ2 1.0 . 4.00 1782 1551 A 54 VAL HG1% A 39 TRP HZ2 1.0 . 4.01 1783 1552 A 39 TRP HZ2 A 57 MET HE% 1.0 . 3.93 1784 1553 A 38 ALA HA A 88 TRP HZ2 1.0 . 4.08 1785 1554 A 41 GLU HG3 A 88 TRP HZ2 1.0 . 4.92 1786 1555 A 37 TYR HB2 A 88 TRP HZ2 1.0 . 3.73 1787 1556 A 88 TRP HZ2 A 32 MET HG2 1.0 . 4.87 1788 1556 A 32 MET HG3 A 88 TRP HZ2 1.0 . 4.87 1789 1557 A 85 SER H A 82 TRP HZ2 1.0 . 4.60 1790 1558 A 82 TRP HZ2 A 88 TRP HA 1.0 . 4.90 1791 1559 A 82 TRP HZ2 A 88 TRP HB3 1.0 . 3.25 1792 1560 A 82 TRP HZ2 A 88 TRP HB2 1.0 . 3.48 1793 1561 A 90 LEU HD1% A 82 TRP HZ2 1.0 . 3.31 1794 1562 A 90 LEU H A 82 TRP HZ2 1.0 . 4.42 1795 1563 A 82 TRP HZ2 A 89 GLN HA 1.0 . 4.33 1796 1564 A 84 ASP HA A 82 TRP HZ2 1.0 . 4.14 1797 1565 A 90 LEU HB3 A 82 TRP HZ2 1.0 . 4.26 1798 1566 A 82 TRP HZ2 A 41 GLU HG2 1.0 . 5.01 stop_ save_