data_nef_c17104_2l1s 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 ALA middle . . 3 A 3 ALA middle . . 4 A 4 GLY middle . false 5 A 5 ILE middle . . 6 A 6 ASP middle . . 7 A 7 GLN middle . . 8 A 8 TYR middle . . 9 A 9 ALA middle . . 10 A 10 LEU middle . . 11 A 11 LYS middle . . 12 A 12 GLU middle . . 13 A 13 PHE middle . . 14 A 14 THR middle . . 15 A 15 ALA middle . . 16 A 16 ASP middle . . 17 A 17 PHE middle . . 18 A 18 THR middle . . 19 A 19 GLN middle . . 20 A 20 PHE middle . . 21 A 21 HIS middle . . 22 A 22 ILE middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 THR middle . . 26 A 26 VAL middle . . 27 A 27 PRO middle . false 28 A 28 ALA middle . . 29 A 29 MET middle . . 30 A 30 TYR middle . . 31 A 31 LEU middle . . 32 A 32 THR middle . . 33 A 33 PRO middle . false 34 A 34 GLU middle . . 35 A 35 TYR middle . . 36 A 36 ASN middle . . 37 A 37 ILE middle . . 38 A 38 LYS middle . . 39 A 39 GLN middle . . 40 A 40 TRP middle . . 41 A 41 GLN middle . . 42 A 42 GLN middle . . 43 A 43 ARG middle . . 44 A 44 ASN middle . . 45 A 45 LEU middle . . 46 A 46 PRO middle . false 47 A 47 ALA middle . . 48 A 48 PRO middle . false 49 A 49 ASP middle . . 50 A 50 ALA middle . . 51 A 51 GLY middle . false 52 A 52 SER middle . . 53 A 53 HIS middle . . 54 A 54 TRP middle . . 55 A 55 THR middle . . 56 A 56 TYR middle . . 57 A 57 MET middle . . 58 A 58 GLY middle . false 59 A 59 GLY middle . false 60 A 60 ASN middle . . 61 A 61 TYR middle . . 62 A 62 VAL middle . . 63 A 63 LEU middle . . 64 A 64 ILE middle . . 65 A 65 THR middle . . 66 A 66 ASP middle . . 67 A 67 THR middle . . 68 A 68 GLU middle . . 69 A 69 GLY middle . false 70 A 70 LYS middle . . 71 A 71 ILE middle . . 72 A 72 LEU middle . . 73 A 73 LYS middle . . 74 A 74 VAL middle . . 75 A 75 TYR middle . . 76 A 76 ASP middle . . 77 A 77 GLY middle . false 78 A 78 GLU middle . . 79 A 79 ILE middle . . 80 A 80 PHE middle . . 81 A 81 TYR middle . . 82 A 82 HIS middle . . 83 A 83 ARG 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 1 GLY HAx H 1 3.782 0.014 A 1 GLY HAy H 1 3.782 0.014 A 1 GLY CA C 13 43.366 0.18 A 2 ALA HA H 1 4.300 0.014 A 2 ALA HB% H 1 1.309 0.014 A 2 ALA CA C 13 52.460 0.18 A 2 ALA CB C 13 19.449 0.18 A 3 ALA H H 1 8.413 0.014 A 3 ALA HA H 1 4.339 0.014 A 3 ALA HB% H 1 1.360 0.014 A 3 ALA CA C 13 52.424 0.18 A 3 ALA CB C 13 19.635 0.18 A 3 ALA N N 15 123.639 0.12 A 4 GLY H H 1 8.405 0.014 A 4 GLY HAx H 1 4.012 0.014 A 4 GLY HAy H 1 4.012 0.014 A 4 GLY CA C 13 45.640 0.18 A 4 GLY N N 15 108.502 0.12 A 5 ILE H H 1 8.048 0.014 A 5 ILE HA H 1 4.281 0.014 A 5 ILE HB H 1 2.029 0.014 A 5 ILE HD1% H 1 0.590 0.014 A 5 ILE HG1y H 1 1.333 0.014 A 5 ILE HG1x H 1 1.123 0.014 A 5 ILE HG2% H 1 0.816 0.014 A 5 ILE CA C 13 62.915 0.18 A 5 ILE CB C 13 38.592 0.18 A 5 ILE CD1 C 13 13.738 0.18 A 5 ILE CG1 C 13 26.218 0.18 A 5 ILE CG2 C 13 18.111 0.18 A 5 ILE N N 15 114.402 0.12 A 6 ASP H H 1 8.285 0.014 A 6 ASP HA H 1 4.612 0.014 A 6 ASP HBx H 1 2.661 0.014 A 6 ASP HBy H 1 2.710 0.014 A 6 ASP CA C 13 57.008 0.18 A 6 ASP CB C 13 39.979 0.18 A 6 ASP N N 15 121.512 0.12 A 7 GLN H H 1 8.136 0.014 A 7 GLN HA H 1 4.093 0.014 A 7 GLN HBy H 1 1.827 0.014 A 7 GLN HBx H 1 1.609 0.014 A 7 GLN HE2x H 1 6.699 0.014 A 7 GLN HE2y H 1 7.190 0.014 A 7 GLN HGy H 1 1.600 0.014 A 7 GLN HGx H 1 1.149 0.014 A 7 GLN CA C 13 57.538 0.18 A 7 GLN CB C 13 28.200 0.18 A 7 GLN CG C 13 32.433 0.18 A 7 GLN N N 15 118.427 0.12 A 7 GLN NE2 N 15 111.896 0.12 A 8 TYR H H 1 7.951 0.014 A 8 TYR HA H 1 4.801 0.014 A 8 TYR HBx H 1 3.141 0.014 A 8 TYR HBy H 1 3.789 0.014 A 8 TYR HDx H 1 7.143 0.014 A 8 TYR HDy H 1 7.143 0.014 A 8 TYR HEx H 1 6.622 0.014 A 8 TYR HEy H 1 6.622 0.014 A 8 TYR CA C 13 57.364 0.18 A 8 TYR CB C 13 39.111 0.18 A 8 TYR CDx C 13 132.893 0.18 A 8 TYR CDy C 13 132.893 0.18 A 8 TYR CEx C 13 118.370 0.18 A 8 TYR CEy C 13 118.370 0.18 A 8 TYR N N 15 117.688 0.12 A 9 ALA H H 1 7.566 0.014 A 9 ALA HA H 1 4.297 0.014 A 9 ALA HB% H 1 1.363 0.014 A 9 ALA CA C 13 53.135 0.18 A 9 ALA CB C 13 19.315 0.18 A 9 ALA N N 15 123.667 0.12 A 10 LEU H H 1 8.083 0.014 A 10 LEU HA H 1 4.816 0.014 A 10 LEU HBx H 1 1.276 0.014 A 10 LEU HBy H 1 1.598 0.014 A 10 LEU HD1% H 1 0.876 0.014 A 10 LEU HD2% H 1 1.042 0.014 A 10 LEU HG H 1 1.732 0.014 A 10 LEU CA C 13 53.291 0.18 A 10 LEU CB C 13 46.284 0.18 A 10 LEU CDy C 13 26.044 0.18 A 10 LEU CDx C 13 23.142 0.18 A 10 LEU CG C 13 26.676 0.18 A 10 LEU N N 15 122.507 0.12 A 11 LYS H H 1 8.860 0.014 A 11 LYS HA H 1 4.500 0.014 A 11 LYS HBy H 1 1.948 0.014 A 11 LYS HBx H 1 1.719 0.014 A 11 LYS HDy H 1 1.644 0.014 A 11 LYS HDx H 1 1.526 0.014 A 11 LYS HEx H 1 2.936 0.014 A 11 LYS HEy H 1 2.936 0.014 A 11 LYS HGy H 1 1.442 0.014 A 11 LYS HGx H 1 1.374 0.014 A 11 LYS CA C 13 55.661 0.18 A 11 LYS CB C 13 33.919 0.18 A 11 LYS CD C 13 29.174 0.18 A 11 LYS CE C 13 42.147 0.18 A 11 LYS CG C 13 25.223 0.18 A 11 LYS N N 15 116.894 0.12 A 12 GLU H H 1 7.505 0.014 A 12 GLU HA H 1 5.146 0.014 A 12 GLU HBy H 1 1.962 0.014 A 12 GLU HBx H 1 1.737 0.014 A 12 GLU HGx H 1 1.827 0.014 A 12 GLU HGy H 1 1.995 0.014 A 12 GLU CA C 13 54.195 0.18 A 12 GLU CB C 13 32.891 0.18 A 12 GLU CG C 13 34.639 0.18 A 12 GLU N N 15 115.335 0.12 A 13 PHE H H 1 8.374 0.014 A 13 PHE HA H 1 4.833 0.014 A 13 PHE HBx H 1 2.946 0.014 A 13 PHE HBy H 1 3.053 0.014 A 13 PHE HDx H 1 6.645 0.014 A 13 PHE HDy H 1 6.645 0.014 A 13 PHE HEx H 1 6.596 0.014 A 13 PHE HEy H 1 6.596 0.014 A 13 PHE CA C 13 56.750 0.18 A 13 PHE CB C 13 39.511 0.18 A 13 PHE CDx C 13 132.098 0.18 A 13 PHE CDy C 13 132.098 0.18 A 13 PHE CEx C 13 130.857 0.18 A 13 PHE CEy C 13 130.857 0.18 A 13 PHE CZ C 13 130.561 0.18 A 13 PHE N N 15 116.356 0.12 A 14 THR H H 1 8.664 0.014 A 14 THR HA H 1 5.085 0.014 A 14 THR HB H 1 3.740 0.014 A 14 THR HG2% H 1 0.863 0.014 A 14 THR CA C 13 60.890 0.18 A 14 THR CB C 13 70.624 0.18 A 14 THR CG2 C 13 21.165 0.18 A 14 THR N N 15 116.189 0.12 A 15 ALA H H 1 8.881 0.014 A 15 ALA HA H 1 4.510 0.014 A 15 ALA HB% H 1 1.213 0.014 A 15 ALA CA C 13 51.890 0.18 A 15 ALA CB C 13 21.486 0.18 A 15 ALA N N 15 126.925 0.12 A 16 ASP H H 1 9.232 0.014 A 16 ASP HA H 1 3.955 0.014 A 16 ASP HBy H 1 2.811 0.014 A 16 ASP HBx H 1 2.770 0.014 A 16 ASP CA C 13 55.727 0.18 A 16 ASP CB C 13 39.177 0.18 A 16 ASP N N 15 123.296 0.12 A 17 PHE H H 1 8.412 0.014 A 17 PHE HA H 1 3.836 0.014 A 17 PHE HBy H 1 3.299 0.014 A 17 PHE HBx H 1 3.198 0.014 A 17 PHE HDx H 1 7.126 0.014 A 17 PHE HDy H 1 7.310 0.014 A 17 PHE HZ H 1 7.247 0.014 A 17 PHE CA C 13 59.747 0.18 A 17 PHE CB C 13 36.553 0.18 A 17 PHE CDx C 13 131.714 0.18 A 17 PHE CDy C 13 131.761 0.18 A 17 PHE CZ C 13 129.497 0.18 A 17 PHE N N 15 110.216 0.12 A 18 THR H H 1 7.867 0.014 A 18 THR HA H 1 4.213 0.014 A 18 THR HB H 1 3.881 0.014 A 18 THR HG2% H 1 0.404 0.014 A 18 THR CA C 13 61.853 0.18 A 18 THR CB C 13 70.998 0.18 A 18 THR CG2 C 13 20.715 0.18 A 18 THR N N 15 117.575 0.12 A 19 GLN H H 1 8.115 0.014 A 19 GLN HA H 1 4.376 0.014 A 19 GLN HBy H 1 1.658 0.014 A 19 GLN HBx H 1 1.588 0.014 A 19 GLN HE2x H 1 6.670 0.014 A 19 GLN HE2y H 1 7.510 0.014 A 19 GLN HGx H 1 1.873 0.014 A 19 GLN HGy H 1 1.892 0.014 A 19 GLN CA C 13 54.876 0.18 A 19 GLN CB C 13 29.878 0.18 A 19 GLN CG C 13 34.058 0.18 A 19 GLN N N 15 124.382 0.12 A 19 GLN NE2 N 15 112.224 0.12 A 20 PHE H H 1 8.520 0.014 A 20 PHE HA H 1 4.352 0.014 A 20 PHE HBy H 1 2.158 0.014 A 20 PHE HBx H 1 0.965 0.014 A 20 PHE HDx H 1 6.539 0.014 A 20 PHE HDy H 1 6.539 0.014 A 20 PHE HEx H 1 7.273 0.014 A 20 PHE HEy H 1 7.273 0.014 A 20 PHE HZ H 1 7.038 0.014 A 20 PHE CA C 13 57.384 0.18 A 20 PHE CB C 13 43.007 0.18 A 20 PHE CDx C 13 132.167 0.18 A 20 PHE CDy C 13 132.167 0.18 A 20 PHE CEx C 13 131.176 0.18 A 20 PHE CEy C 13 131.176 0.18 A 20 PHE CZ C 13 128.909 0.18 A 20 PHE N N 15 123.303 0.12 A 21 HIS H H 1 8.794 0.014 A 21 HIS HA H 1 5.054 0.014 A 21 HIS HBy H 1 3.436 0.014 A 21 HIS HBx H 1 2.775 0.014 A 21 HIS HD2 H 1 7.286 0.014 A 21 HIS HE1 H 1 8.300 0.014 A 21 HIS CA C 13 53.372 0.18 A 21 HIS CB C 13 31.369 0.18 A 21 HIS CD2 C 13 120.140 0.18 A 21 HIS CE1 C 13 135.714 0.18 A 21 HIS N N 15 116.757 0.12 A 22 ILE H H 1 7.578 0.014 A 22 ILE HA H 1 3.391 0.014 A 22 ILE HB H 1 1.929 0.014 A 22 ILE HD1% H 1 0.786 0.014 A 22 ILE HG12 H 1 1.540 0.014 A 22 ILE HG13 H 1 1.540 0.014 A 22 ILE HG2% H 1 0.879 0.014 A 22 ILE CA C 13 63.155 0.18 A 22 ILE CB C 13 35.958 0.18 A 22 ILE CD1 C 13 10.924 0.18 A 22 ILE CG1 C 13 27.605 0.18 A 22 ILE CG2 C 13 17.680 0.18 A 22 ILE N N 15 119.333 0.12 A 23 GLY H H 1 8.882 0.014 A 23 GLY HAy H 1 4.477 0.014 A 23 GLY HAx H 1 3.478 0.014 A 23 GLY CA C 13 45.267 0.18 A 23 GLY N N 15 116.724 0.12 A 24 ASP H H 1 7.983 0.014 A 24 ASP HA H 1 4.808 0.014 A 24 ASP HBy H 1 3.113 0.014 A 24 ASP HBx H 1 3.054 0.014 A 24 ASP CA C 13 54.572 0.18 A 24 ASP CB C 13 42.137 0.18 A 24 ASP N N 15 120.559 0.12 A 25 THR H H 1 8.322 0.014 A 25 THR HA H 1 4.921 0.014 A 25 THR HB H 1 4.036 0.014 A 25 THR HG2% H 1 1.110 0.014 A 25 THR CA C 13 60.619 0.18 A 25 THR CB C 13 70.374 0.18 A 25 THR CG2 C 13 22.004 0.18 A 25 THR N N 15 111.446 0.12 A 26 VAL H H 1 8.220 0.014 A 26 VAL HA H 1 4.411 0.014 A 26 VAL HB H 1 1.916 0.014 A 26 VAL HG1% H 1 0.847 0.014 A 26 VAL HG2% H 1 0.528 0.014 A 26 VAL CA C 13 59.601 0.18 A 26 VAL CB C 13 30.807 0.18 A 26 VAL CGx C 13 18.606 0.18 A 26 VAL CGy C 13 22.580 0.18 A 26 VAL N N 15 117.330 0.12 A 27 PRO HA H 1 4.440 0.014 A 27 PRO HBy H 1 2.574 0.014 A 27 PRO HBx H 1 1.919 0.014 A 27 PRO HDy H 1 3.984 0.014 A 27 PRO HDx H 1 3.495 0.014 A 27 PRO HGx H 1 2.292 0.014 A 27 PRO HGy H 1 2.407 0.014 A 27 PRO CA C 13 63.142 0.18 A 27 PRO CB C 13 32.842 0.18 A 27 PRO CD C 13 50.887 0.18 A 27 PRO CG C 13 28.126 0.18 A 28 ALA H H 1 8.320 0.014 A 28 ALA HA H 1 3.895 0.014 A 28 ALA HB% H 1 1.376 0.014 A 28 ALA CA C 13 55.273 0.18 A 28 ALA CB C 13 18.469 0.18 A 28 ALA N N 15 123.388 0.12 A 29 MET H H 1 8.497 0.014 A 29 MET HA H 1 4.004 0.014 A 29 MET HBy H 1 1.842 0.014 A 29 MET HBx H 1 1.559 0.014 A 29 MET HGy H 1 1.766 0.014 A 29 MET HGx H 1 1.349 0.014 A 29 MET CA C 13 58.569 0.18 A 29 MET CB C 13 32.108 0.18 A 29 MET CE C 13 16.974 0.18 A 29 MET CG C 13 30.622 0.18 A 29 MET N N 15 116.349 0.12 A 30 TYR H H 1 7.621 0.014 A 30 TYR HA H 1 3.879 0.014 A 30 TYR HBy H 1 3.082 0.014 A 30 TYR HBx H 1 2.413 0.014 A 30 TYR HDx H 1 6.645 0.014 A 30 TYR HDy H 1 6.645 0.014 A 30 TYR HEx H 1 6.642 0.014 A 30 TYR HEy H 1 6.642 0.014 A 30 TYR CA C 13 60.303 0.18 A 30 TYR CB C 13 37.331 0.18 A 30 TYR CDx C 13 132.783 0.18 A 30 TYR CDy C 13 132.783 0.18 A 30 TYR CEx C 13 117.820 0.18 A 30 TYR CEy C 13 117.820 0.18 A 30 TYR N N 15 115.469 0.12 A 31 LEU H H 1 7.650 0.014 A 31 LEU HA H 1 4.305 0.014 A 31 LEU HBx H 1 1.719 0.014 A 31 LEU HBy H 1 1.719 0.014 A 31 LEU HD1% H 1 0.752 0.014 A 31 LEU HD2% H 1 0.657 0.014 A 31 LEU HG H 1 1.513 0.014 A 31 LEU CA C 13 55.271 0.18 A 31 LEU CB C 13 42.400 0.18 A 31 LEU CDy C 13 25.283 0.18 A 31 LEU CDx C 13 23.805 0.18 A 31 LEU CG C 13 27.592 0.18 A 31 LEU N N 15 118.483 0.12 A 32 THR H H 1 7.309 0.014 A 32 THR HA H 1 4.607 0.014 A 32 THR HG2% H 1 1.342 0.014 A 32 THR CA C 13 60.533 0.18 A 32 THR CG2 C 13 22.131 0.18 A 32 THR N N 15 110.119 0.12 A 33 PRO HA H 1 4.309 0.014 A 33 PRO HBy H 1 2.351 0.014 A 33 PRO HBx H 1 1.879 0.014 A 33 PRO HDx H 1 3.858 0.014 A 33 PRO HDy H 1 3.858 0.014 A 33 PRO HGx H 1 1.973 0.014 A 33 PRO HGy H 1 2.107 0.014 A 33 PRO CA C 13 65.450 0.18 A 33 PRO CB C 13 31.954 0.18 A 33 PRO CD C 13 51.167 0.18 A 33 PRO CG C 13 27.868 0.18 A 34 GLU H H 1 8.578 0.014 A 34 GLU HA H 1 3.890 0.014 A 34 GLU HBx H 1 1.602 0.014 A 34 GLU HBy H 1 1.822 0.014 A 34 GLU HGx H 1 1.893 0.014 A 34 GLU HGy H 1 1.997 0.014 A 34 GLU CA C 13 59.254 0.18 A 34 GLU CB C 13 29.073 0.18 A 34 GLU CG C 13 36.530 0.18 A 34 GLU N N 15 117.100 0.12 A 35 TYR H H 1 7.338 0.014 A 35 TYR HA H 1 4.502 0.014 A 35 TYR HBx H 1 2.741 0.014 A 35 TYR HBy H 1 3.639 0.014 A 35 TYR HDx H 1 7.338 0.014 A 35 TYR HEx H 1 6.732 0.014 A 35 TYR HEy H 1 6.732 0.014 A 35 TYR CA C 13 59.178 0.18 A 35 TYR CB C 13 39.564 0.18 A 35 TYR CDx C 13 133.848 0.18 A 35 TYR CDy C 13 133.848 0.18 A 35 TYR CEx C 13 118.150 0.18 A 35 TYR CEy C 13 118.150 0.18 A 35 TYR N N 15 115.872 0.12 A 36 ASN H H 1 7.424 0.014 A 36 ASN HA H 1 4.820 0.014 A 36 ASN HBy H 1 3.022 0.014 A 36 ASN HBx H 1 2.525 0.014 A 36 ASN HD2x H 1 6.262 0.014 A 36 ASN HD2y H 1 7.143 0.014 A 36 ASN CA C 13 53.568 0.18 A 36 ASN CB C 13 38.945 0.18 A 36 ASN N N 15 119.123 0.12 A 36 ASN ND2 N 15 108.140 0.12 A 37 ILE H H 1 8.790 0.014 A 37 ILE HA H 1 4.191 0.014 A 37 ILE HB H 1 1.997 0.014 A 37 ILE HD1% H 1 0.800 0.014 A 37 ILE HG1x H 1 1.357 0.014 A 37 ILE HG1y H 1 1.512 0.014 A 37 ILE HG2% H 1 0.550 0.014 A 37 ILE CA C 13 59.124 0.18 A 37 ILE CB C 13 36.115 0.18 A 37 ILE CD1 C 13 11.780 0.18 A 37 ILE CG1 C 13 26.549 0.18 A 37 ILE CG2 C 13 16.360 0.18 A 37 ILE N N 15 127.973 0.12 A 38 LYS H H 1 8.030 0.014 A 38 LYS HA H 1 4.343 0.014 A 38 LYS HBx H 1 1.809 0.014 A 38 LYS HBy H 1 1.809 0.014 A 38 LYS HDx H 1 1.664 0.014 A 38 LYS HDy H 1 1.664 0.014 A 38 LYS HEx H 1 2.940 0.014 A 38 LYS HEy H 1 2.940 0.014 A 38 LYS HGy H 1 1.477 0.014 A 38 LYS HGx H 1 1.381 0.014 A 38 LYS CA C 13 58.677 0.18 A 38 LYS CB C 13 32.894 0.18 A 38 LYS CD C 13 29.193 0.18 A 38 LYS CE C 13 42.177 0.18 A 38 LYS CG C 13 25.545 0.18 A 38 LYS N N 15 128.204 0.12 A 39 GLN H H 1 8.388 0.014 A 39 GLN HA H 1 4.431 0.014 A 39 GLN HBy H 1 1.935 0.014 A 39 GLN HBx H 1 1.761 0.014 A 39 GLN HE2y H 1 7.366 0.014 A 39 GLN HE2x H 1 6.750 0.014 A 39 GLN HGx H 1 2.182 0.014 A 39 GLN HGy H 1 2.182 0.014 A 39 GLN CA C 13 54.109 0.18 A 39 GLN CB C 13 25.931 0.18 A 39 GLN CG C 13 33.654 0.18 A 39 GLN N N 15 119.818 0.12 A 39 GLN NE2 N 15 111.879 0.12 A 40 TRP H H 1 6.942 0.014 A 40 TRP HA H 1 3.601 0.014 A 40 TRP HBx H 1 2.901 0.014 A 40 TRP HBy H 1 2.967 0.014 A 40 TRP HD1 H 1 7.596 0.014 A 40 TRP HE1 H 1 10.404 0.014 A 40 TRP HE3 H 1 7.041 0.014 A 40 TRP HH2 H 1 7.234 0.014 A 40 TRP HZ2 H 1 7.511 0.014 A 40 TRP CA C 13 58.035 0.18 A 40 TRP CB C 13 28.557 0.18 A 40 TRP CD1 C 13 128.701 0.18 A 40 TRP CE3 C 13 122.511 0.18 A 40 TRP CH2 C 13 125.170 0.18 A 40 TRP CZ2 C 13 114.481 0.18 A 40 TRP N N 15 119.874 0.12 A 40 TRP NE1 N 15 130.496 0.12 A 41 GLN H H 1 7.864 0.014 A 41 GLN HA H 1 3.569 0.014 A 41 GLN HBx H 1 0.915 0.014 A 41 GLN HBy H 1 1.312 0.014 A 41 GLN HE2y H 1 7.128 0.014 A 41 GLN HE2x H 1 6.563 0.014 A 41 GLN HGx H 1 1.320 0.014 A 41 GLN HGy H 1 1.840 0.014 A 41 GLN CA C 13 59.392 0.18 A 41 GLN CB C 13 26.993 0.18 A 41 GLN CG C 13 33.105 0.18 A 41 GLN N N 15 125.146 0.12 A 41 GLN NE2 N 15 111.166 0.12 A 42 GLN H H 1 7.534 0.014 A 42 GLN HA H 1 3.918 0.014 A 42 GLN HBy H 1 1.970 0.014 A 42 GLN HBx H 1 1.827 0.014 A 42 GLN HE2x H 1 6.647 0.014 A 42 GLN HE2y H 1 7.302 0.014 A 42 GLN HGx H 1 2.206 0.014 A 42 GLN HGy H 1 2.281 0.014 A 42 GLN CA C 13 57.328 0.18 A 42 GLN CB C 13 28.207 0.18 A 42 GLN CG C 13 34.282 0.18 A 42 GLN N N 15 118.060 0.12 A 42 GLN NE2 N 15 111.191 0.12 A 43 ARG H H 1 6.793 0.014 A 43 ARG HA H 1 3.942 0.014 A 43 ARG HBy H 1 1.252 0.014 A 43 ARG HBx H 1 0.925 0.014 A 43 ARG HDy H 1 2.334 0.014 A 43 ARG HDx H 1 2.202 0.014 A 43 ARG HGx H 1 0.880 0.014 A 43 ARG HGy H 1 0.987 0.014 A 43 ARG CA C 13 54.274 0.18 A 43 ARG CB C 13 29.118 0.18 A 43 ARG CD C 13 42.368 0.18 A 43 ARG CG C 13 27.084 0.18 A 43 ARG N N 15 116.035 0.12 A 44 ASN H H 1 7.220 0.014 A 44 ASN HA H 1 4.030 0.014 A 44 ASN HBx H 1 2.790 0.014 A 44 ASN HBy H 1 2.790 0.014 A 44 ASN HD2x H 1 6.614 0.014 A 44 ASN HD2y H 1 7.306 0.014 A 44 ASN CA C 13 54.357 0.18 A 44 ASN CB C 13 37.239 0.18 A 44 ASN N N 15 107.226 0.12 A 44 ASN ND2 N 15 114.245 0.12 A 45 LEU H H 1 6.533 0.014 A 45 LEU HA H 1 3.654 0.014 A 45 LEU HBy H 1 0.970 0.014 A 45 LEU HBx H 1 0.071 0.014 A 45 LEU HD1% H 1 -0.563 0.014 A 45 LEU HD2% H 1 -0.533 0.014 A 45 LEU HG H 1 0.548 0.014 A 45 LEU CA C 13 52.161 0.18 A 45 LEU CB C 13 40.758 0.18 A 45 LEU CDx C 13 21.247 0.18 A 45 LEU CDy C 13 22.630 0.18 A 45 LEU CG C 13 25.344 0.18 A 45 LEU N N 15 116.783 0.12 A 46 PRO HA H 1 4.453 0.014 A 46 PRO HBx H 1 1.872 0.014 A 46 PRO HBy H 1 2.178 0.014 A 46 PRO HDy H 1 3.063 0.014 A 46 PRO HDx H 1 2.946 0.014 A 46 PRO HGy H 1 2.048 0.014 A 46 PRO CA C 13 61.616 0.18 A 46 PRO CB C 13 32.070 0.18 A 46 PRO CD C 13 49.022 0.18 A 46 PRO CG C 13 27.313 0.18 A 47 ALA H H 1 7.963 0.014 A 47 ALA HA H 1 2.213 0.014 A 47 ALA HB% H 1 0.981 0.014 A 47 ALA CA C 13 49.911 0.18 A 47 ALA CB C 13 17.372 0.18 A 47 ALA N N 15 121.897 0.12 A 48 PRO HA H 1 3.665 0.014 A 48 PRO HBx H 1 1.366 0.014 A 48 PRO HBy H 1 1.643 0.014 A 48 PRO HDy H 1 2.601 0.014 A 48 PRO HDx H 1 1.701 0.014 A 48 PRO HGx H 1 1.635 0.014 A 48 PRO HGy H 1 1.803 0.014 A 48 PRO CA C 13 61.978 0.18 A 48 PRO CB C 13 31.958 0.18 A 48 PRO CD C 13 49.417 0.18 A 48 PRO CG C 13 26.603 0.18 A 49 ASP H H 1 6.081 0.014 A 49 ASP HA H 1 4.295 0.014 A 49 ASP HBx H 1 2.131 0.014 A 49 ASP HBy H 1 2.468 0.014 A 49 ASP CA C 13 53.869 0.18 A 49 ASP CB C 13 40.814 0.18 A 49 ASP N N 15 121.015 0.12 A 50 ALA H H 1 8.705 0.014 A 50 ALA HA H 1 4.119 0.014 A 50 ALA HB% H 1 1.286 0.014 A 50 ALA CA C 13 54.004 0.18 A 50 ALA CB C 13 17.634 0.18 A 50 ALA N N 15 125.925 0.12 A 51 GLY H H 1 8.964 0.014 A 51 GLY HAy H 1 4.008 0.014 A 51 GLY HAx H 1 3.700 0.014 A 51 GLY CA C 13 45.914 0.18 A 51 GLY N N 15 110.695 0.12 A 52 SER H H 1 7.935 0.014 A 52 SER HA H 1 5.231 0.014 A 52 SER HBy H 1 3.295 0.014 A 52 SER HBx H 1 3.111 0.014 A 52 SER CA C 13 57.734 0.18 A 52 SER CB C 13 68.122 0.18 A 52 SER N N 15 116.212 0.12 A 53 HIS H H 1 8.747 0.014 A 53 HIS HA H 1 4.423 0.014 A 53 HIS HBy H 1 3.387 0.014 A 53 HIS HBx H 1 3.261 0.014 A 53 HIS HD2 H 1 7.164 0.014 A 53 HIS HE1 H 1 9.251 0.014 A 53 HIS CA C 13 55.439 0.18 A 53 HIS CB C 13 30.566 0.18 A 53 HIS CD2 C 13 121.389 0.18 A 53 HIS N N 15 111.692 0.12 A 54 TRP H H 1 9.255 0.014 A 54 TRP HA H 1 4.892 0.014 A 54 TRP HBy H 1 3.232 0.014 A 54 TRP HBx H 1 3.074 0.014 A 54 TRP HD1 H 1 6.829 0.014 A 54 TRP HE1 H 1 9.432 0.014 A 54 TRP HE3 H 1 7.419 0.014 A 54 TRP HH2 H 1 6.944 0.014 A 54 TRP HZ2 H 1 7.156 0.014 A 54 TRP HZ3 H 1 6.948 0.014 A 54 TRP CA C 13 57.571 0.18 A 54 TRP CB C 13 31.602 0.18 A 54 TRP CD1 C 13 127.023 0.18 A 54 TRP CE3 C 13 120.758 0.18 A 54 TRP CH2 C 13 123.466 0.18 A 54 TRP CZ2 C 13 114.572 0.18 A 54 TRP CZ3 C 13 123.341 0.18 A 54 TRP N N 15 122.013 0.12 A 54 TRP NE1 N 15 125.965 0.12 A 55 THR H H 1 9.229 0.014 A 55 THR HA H 1 5.505 0.014 A 55 THR HB H 1 4.053 0.014 A 55 THR HG2% H 1 1.153 0.014 A 55 THR CA C 13 60.539 0.18 A 55 THR CB C 13 72.953 0.18 A 55 THR CG2 C 13 21.360 0.18 A 55 THR N N 15 116.371 0.12 A 56 TYR H H 1 8.593 0.014 A 56 TYR HA H 1 5.524 0.014 A 56 TYR HBy H 1 3.090 0.014 A 56 TYR HBx H 1 2.699 0.014 A 56 TYR HDx H 1 6.505 0.014 A 56 TYR HDy H 1 6.505 0.014 A 56 TYR HEx H 1 6.287 0.014 A 56 TYR HEy H 1 6.287 0.014 A 56 TYR CA C 13 55.494 0.18 A 56 TYR CB C 13 40.762 0.18 A 56 TYR CDx C 13 133.671 0.18 A 56 TYR CDy C 13 133.671 0.18 A 56 TYR CEx C 13 117.406 0.18 A 56 TYR CEy C 13 117.406 0.18 A 56 TYR N N 15 124.767 0.12 A 57 MET H H 1 8.479 0.014 A 57 MET HA H 1 4.392 0.014 A 57 MET HBy H 1 1.356 0.014 A 57 MET HBx H 1 1.272 0.014 A 57 MET HGy H 1 1.673 0.014 A 57 MET HGx H 1 1.564 0.014 A 57 MET CA C 13 54.816 0.18 A 57 MET CB C 13 36.164 0.18 A 57 MET CE C 13 15.199 0.18 A 57 MET CG C 13 30.545 0.18 A 57 MET N N 15 123.861 0.12 A 58 GLY H H 1 9.008 0.014 A 58 GLY HAy H 1 3.878 0.014 A 58 GLY HAx H 1 3.777 0.014 A 58 GLY CA C 13 47.274 0.18 A 58 GLY N N 15 114.037 0.12 A 59 GLY H H 1 7.313 0.014 A 59 GLY HAy H 1 4.010 0.014 A 59 GLY HAx H 1 3.230 0.014 A 59 GLY CA C 13 44.672 0.18 A 59 GLY N N 15 103.444 0.12 A 60 ASN H H 1 7.080 0.014 A 60 ASN HA H 1 4.802 0.014 A 60 ASN HBy H 1 2.013 0.014 A 60 ASN HBx H 1 1.648 0.014 A 60 ASN HD2x H 1 5.590 0.014 A 60 ASN HD2y H 1 6.846 0.014 A 60 ASN CA C 13 51.109 0.18 A 60 ASN CB C 13 41.640 0.18 A 60 ASN N N 15 116.162 0.12 A 60 ASN ND2 N 15 112.676 0.12 A 61 TYR H H 1 8.928 0.014 A 61 TYR HA H 1 5.409 0.014 A 61 TYR HBy H 1 2.968 0.014 A 61 TYR HBx H 1 2.574 0.014 A 61 TYR HDx H 1 6.880 0.014 A 61 TYR HDy H 1 6.880 0.014 A 61 TYR HEx H 1 6.627 0.014 A 61 TYR HEy H 1 6.627 0.014 A 61 TYR CA C 13 58.060 0.18 A 61 TYR CB C 13 40.922 0.18 A 61 TYR CDx C 13 133.445 0.18 A 61 TYR CDy C 13 133.445 0.18 A 61 TYR CEx C 13 118.506 0.18 A 61 TYR CEy C 13 118.506 0.18 A 61 TYR N N 15 119.362 0.12 A 62 VAL H H 1 9.043 0.014 A 62 VAL HA H 1 4.574 0.014 A 62 VAL HB H 1 1.640 0.014 A 62 VAL HG1% H 1 0.610 0.014 A 62 VAL HG2% H 1 0.194 0.014 A 62 VAL CA C 13 61.322 0.18 A 62 VAL CB C 13 34.456 0.18 A 62 VAL CGy C 13 22.880 0.18 A 62 VAL CGx C 13 21.475 0.18 A 62 VAL N N 15 125.272 0.12 A 63 LEU H H 1 8.798 0.014 A 63 LEU HA H 1 3.915 0.014 A 63 LEU HBy H 1 1.097 0.014 A 63 LEU HBx H 1 -0.811 0.014 A 63 LEU HD1% H 1 -0.670 0.014 A 63 LEU HD2% H 1 0.312 0.014 A 63 LEU HG H 1 0.580 0.014 A 63 LEU CA C 13 53.823 0.18 A 63 LEU CB C 13 41.322 0.18 A 63 LEU CDx C 13 20.669 0.18 A 63 LEU CDy C 13 26.601 0.18 A 63 LEU CG C 13 26.190 0.18 A 63 LEU N N 15 134.426 0.12 A 64 ILE H H 1 8.276 0.014 A 64 ILE HA H 1 5.487 0.014 A 64 ILE HB H 1 1.121 0.014 A 64 ILE HD1% H 1 0.443 0.014 A 64 ILE HG1x H 1 0.436 0.014 A 64 ILE HG1y H 1 0.699 0.014 A 64 ILE HG2% H 1 0.452 0.014 A 64 ILE CA C 13 57.242 0.18 A 64 ILE CB C 13 42.052 0.18 A 64 ILE CD1 C 13 15.225 0.18 A 64 ILE CG1 C 13 23.999 0.18 A 64 ILE CG2 C 13 19.004 0.18 A 64 ILE N N 15 120.740 0.12 A 65 THR H H 1 8.479 0.014 A 65 THR HA H 1 4.233 0.014 A 65 THR HB H 1 4.596 0.014 A 65 THR HG2% H 1 1.292 0.014 A 65 THR CA C 13 61.300 0.18 A 65 THR CB C 13 70.354 0.18 A 65 THR CG2 C 13 23.641 0.18 A 65 THR N N 15 111.571 0.12 A 66 ASP H H 1 8.647 0.014 A 66 ASP HA H 1 4.134 0.014 A 66 ASP HBy H 1 2.603 0.014 A 66 ASP HBx H 1 2.475 0.014 A 66 ASP CA C 13 57.358 0.18 A 66 ASP CB C 13 40.615 0.18 A 66 ASP N N 15 121.979 0.12 A 67 THR H H 1 8.075 0.014 A 67 THR HA H 1 4.111 0.014 A 67 THR HB H 1 4.163 0.014 A 67 THR HG2% H 1 1.168 0.014 A 67 THR CA C 13 63.911 0.18 A 67 THR CB C 13 68.516 0.18 A 67 THR CG2 C 13 22.482 0.18 A 67 THR N N 15 108.403 0.12 A 68 GLU H H 1 7.246 0.014 A 68 GLU HA H 1 4.342 0.014 A 68 GLU HBx H 1 1.794 0.014 A 68 GLU HBy H 1 1.973 0.014 A 68 GLU HGx H 1 2.159 0.014 A 68 GLU HGy H 1 2.159 0.014 A 68 GLU CA C 13 56.373 0.18 A 68 GLU CB C 13 31.648 0.18 A 68 GLU CG C 13 36.566 0.18 A 68 GLU N N 15 115.878 0.12 A 69 GLY H H 1 7.854 0.014 A 69 GLY HAx H 1 3.769 0.014 A 69 GLY HAy H 1 3.849 0.014 A 69 GLY CA C 13 47.611 0.18 A 69 GLY N N 15 109.720 0.12 A 70 LYS H H 1 7.907 0.014 A 70 LYS HA H 1 4.415 0.014 A 70 LYS HBy H 1 1.617 0.014 A 70 LYS HBx H 1 1.404 0.014 A 70 LYS HDx H 1 1.526 0.014 A 70 LYS HDy H 1 1.526 0.014 A 70 LYS HEx H 1 2.799 0.014 A 70 LYS HEy H 1 2.866 0.014 A 70 LYS HGy H 1 1.148 0.014 A 70 LYS HGx H 1 1.052 0.014 A 70 LYS CA C 13 56.157 0.18 A 70 LYS CB C 13 33.423 0.18 A 70 LYS CD C 13 29.546 0.18 A 70 LYS CE C 13 41.955 0.18 A 70 LYS CG C 13 25.223 0.18 A 70 LYS N N 15 119.561 0.12 A 71 ILE H H 1 8.870 0.014 A 71 ILE HA H 1 3.862 0.014 A 71 ILE HB H 1 1.789 0.014 A 71 ILE HD1% H 1 0.651 0.014 A 71 ILE HG1y H 1 1.755 0.014 A 71 ILE HG1x H 1 0.422 0.014 A 71 ILE HG2% H 1 0.620 0.014 A 71 ILE CA C 13 62.932 0.18 A 71 ILE CB C 13 38.863 0.18 A 71 ILE CD1 C 13 14.516 0.18 A 71 ILE CG1 C 13 28.148 0.18 A 71 ILE CG2 C 13 18.398 0.18 A 71 ILE N N 15 123.587 0.12 A 72 LEU H H 1 9.456 0.014 A 72 LEU HA H 1 4.341 0.014 A 72 LEU HBx H 1 1.312 0.014 A 72 LEU HBy H 1 1.312 0.014 A 72 LEU HD1% H 1 0.572 0.014 A 72 LEU HD2% H 1 0.579 0.014 A 72 LEU HG H 1 1.542 0.014 A 72 LEU CA C 13 55.886 0.18 A 72 LEU CB C 13 44.254 0.18 A 72 LEU CDy C 13 25.200 0.18 A 72 LEU CDx C 13 21.746 0.18 A 72 LEU CG C 13 26.414 0.18 A 72 LEU N N 15 129.297 0.12 A 73 LYS H H 1 7.146 0.014 A 73 LYS HA H 1 4.407 0.014 A 73 LYS HBx H 1 1.552 0.014 A 73 LYS HBy H 1 1.834 0.014 A 73 LYS HDy H 1 1.749 0.014 A 73 LYS HDx H 1 1.528 0.014 A 73 LYS HEx H 1 2.783 0.014 A 73 LYS HEy H 1 2.922 0.014 A 73 LYS HGy H 1 1.367 0.014 A 73 LYS HGx H 1 1.143 0.014 A 73 LYS CA C 13 55.770 0.18 A 73 LYS CB C 13 38.090 0.18 A 73 LYS CD C 13 29.749 0.18 A 73 LYS CE C 13 42.060 0.18 A 73 LYS CG C 13 25.769 0.18 A 73 LYS N N 15 114.347 0.12 A 74 VAL H H 1 8.328 0.014 A 74 VAL HA H 1 4.980 0.014 A 74 VAL HB H 1 1.913 0.014 A 74 VAL HG1% H 1 0.404 0.014 A 74 VAL HG2% H 1 0.600 0.014 A 74 VAL CA C 13 61.125 0.18 A 74 VAL CB C 13 35.017 0.18 A 74 VAL CGx C 13 21.875 0.18 A 74 VAL CGy C 13 22.114 0.18 A 74 VAL N N 15 120.727 0.12 A 75 TYR H H 1 9.628 0.014 A 75 TYR HA H 1 5.200 0.014 A 75 TYR HBy H 1 2.934 0.014 A 75 TYR HBx H 1 2.437 0.014 A 75 TYR HDx H 1 6.958 0.014 A 75 TYR HDy H 1 6.958 0.014 A 75 TYR HEx H 1 6.737 0.014 A 75 TYR HEy H 1 6.737 0.014 A 75 TYR CA C 13 57.256 0.18 A 75 TYR CB C 13 42.830 0.18 A 75 TYR CDx C 13 133.039 0.18 A 75 TYR CDy C 13 133.039 0.18 A 75 TYR CEx C 13 117.801 0.18 A 75 TYR CEy C 13 117.801 0.18 A 75 TYR N N 15 124.477 0.12 A 76 ASP H H 1 9.321 0.014 A 76 ASP HA H 1 4.688 0.014 A 76 ASP HBy H 1 2.920 0.014 A 76 ASP HBx H 1 2.836 0.014 A 76 ASP CA C 13 54.700 0.18 A 76 ASP CB C 13 44.048 0.18 A 76 ASP N N 15 123.632 0.12 A 77 GLY H H 1 8.093 0.014 A 77 GLY HAy H 1 4.262 0.014 A 77 GLY HAx H 1 4.181 0.014 A 77 GLY CA C 13 47.697 0.18 A 77 GLY N N 15 112.510 0.12 A 78 GLU H H 1 9.264 0.014 A 78 GLU HA H 1 4.141 0.014 A 78 GLU HBx H 1 1.996 0.014 A 78 GLU HBy H 1 1.996 0.014 A 78 GLU HGx H 1 2.422 0.014 A 78 GLU HGy H 1 2.465 0.014 A 78 GLU CA C 13 58.255 0.18 A 78 GLU CB C 13 29.500 0.18 A 78 GLU CG C 13 36.832 0.18 A 78 GLU N N 15 122.931 0.12 A 79 ILE H H 1 8.056 0.014 A 79 ILE HA H 1 2.906 0.014 A 79 ILE HB H 1 1.434 0.014 A 79 ILE HD1% H 1 0.301 0.014 A 79 ILE HG1x H 1 1.055 0.014 A 79 ILE HG1y H 1 1.117 0.014 A 79 ILE HG2% H 1 0.810 0.014 A 79 ILE CA C 13 64.144 0.18 A 79 ILE CB C 13 38.371 0.18 A 79 ILE CD1 C 13 14.865 0.18 A 79 ILE CG1 C 13 28.852 0.18 A 79 ILE CG2 C 13 17.382 0.18 A 79 ILE N N 15 120.319 0.12 A 80 PHE H H 1 7.356 0.014 A 80 PHE HA H 1 4.178 0.014 A 80 PHE HBy H 1 3.044 0.014 A 80 PHE HBx H 1 2.595 0.014 A 80 PHE HDx H 1 6.646 0.014 A 80 PHE HDy H 1 6.646 0.014 A 80 PHE HEx H 1 7.003 0.014 A 80 PHE HEy H 1 7.003 0.014 A 80 PHE HZ H 1 7.003 0.014 A 80 PHE CA C 13 57.812 0.18 A 80 PHE CB C 13 40.596 0.18 A 80 PHE CDx C 13 131.286 0.18 A 80 PHE CDy C 13 131.319 0.18 A 80 PHE CEx C 13 131.240 0.18 A 80 PHE CEy C 13 131.240 0.18 A 80 PHE CZ C 13 129.567 0.18 A 80 PHE N N 15 121.405 0.12 A 81 TYR H H 1 7.390 0.014 A 81 TYR HA H 1 4.121 0.014 A 81 TYR HBy H 1 2.992 0.014 A 81 TYR HBx H 1 2.685 0.014 A 81 TYR HDx H 1 6.954 0.014 A 81 TYR HDy H 1 6.954 0.014 A 81 TYR HEx H 1 6.731 0.014 A 81 TYR HEy H 1 6.731 0.014 A 81 TYR CA C 13 57.506 0.18 A 81 TYR CB C 13 38.441 0.18 A 81 TYR CDx C 13 133.305 0.18 A 81 TYR CDy C 13 133.305 0.18 A 81 TYR CEx C 13 118.396 0.18 A 81 TYR CEy C 13 118.396 0.18 A 81 TYR N N 15 116.851 0.12 A 82 HIS H H 1 7.537 0.014 A 82 HIS HA H 1 4.394 0.014 A 82 HIS HBx H 1 2.958 0.014 A 82 HIS HBy H 1 3.034 0.014 A 82 HIS HD2 H 1 7.072 0.014 A 82 HIS CA C 13 56.420 0.18 A 82 HIS CB C 13 29.740 0.18 A 82 HIS CD2 C 13 120.376 0.18 A 82 HIS N N 15 120.295 0.12 A 83 ARG H H 1 7.634 0.014 A 83 ARG HA H 1 3.971 0.014 A 83 ARG HBy H 1 1.678 0.014 A 83 ARG HBx H 1 1.542 0.014 A 83 ARG HDx H 1 3.031 0.014 A 83 ARG HDy H 1 3.031 0.014 A 83 ARG HGx H 1 1.422 0.014 A 83 ARG HGy H 1 1.422 0.014 A 83 ARG CA C 13 57.248 0.18 A 83 ARG CB C 13 31.728 0.18 A 83 ARG CD C 13 43.477 0.18 A 83 ARG CG C 13 27.139 0.18 A 83 ARG N N 15 128.426 0.12 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 63 LEU H A 72 LEU H 1.0 . 4.98 2 2 A 63 LEU H A 62 VAL H 1.0 . 4.86 3 3 A 63 LEU H A 74 VAL HA 1.0 . 4.15 4 4 A 63 LEU H A 62 VAL HA 1.0 . 3.24 5 5 A 63 LEU H A 63 LEU HBy 1.0 . 3.49 6 6 A 63 LEU H A 63 LEU HBx 1.0 . 3.59 7 7 A 63 LEU H A 64 ILE H 1.0 . 4.76 8 8 A 63 LEU H A 63 LEU HD1% 1.0 . 4.84 9 9 A 40 TRP H A 40 TRP HE1 1.0 . 5.18 10 10 A 40 TRP HE1 A 48 PRO HDy 1.0 . 5.34 11 11 A 40 TRP HE1 A 47 ALA HA 1.0 . 5.50 12 12 A 40 TRP HE1 A 48 PRO HDx 1.0 . 5.01 13 13 A 40 TRP HE1 A 48 PRO HBx 1.0 . 5.50 14 14 A 72 LEU H A 71 ILE H 1.0 . 4.65 15 15 A 72 LEU H A 64 ILE HA 1.0 . 3.85 16 16 A 72 LEU H A 63 LEU HBy 1.0 . 4.42 17 17 A 72 LEU H A 71 ILE HA 1.0 . 2.93 18 18 A 72 LEU H A 72 LEU HG 1.0 . 3.72 19 19 A 72 LEU H A 72 LEU HBx 1.0 . 3.37 20 19 A 72 LEU H A 72 LEU HBy 1.0 . 3.37 21 20 A 72 LEU H A 72 LEU HD2% 1.0 . 3.79 22 21 A 72 LEU H A 63 LEU HD2% 1.0 . 5.19 23 22 A 82 HIS HD2 A 83 ARG H 1.0 . 5.50 24 23 A 83 ARG H A 82 HIS HA 1.0 . 2.82 25 24 A 83 ARG H A 82 HIS HBy 1.0 . 4.57 26 25 A 83 ARG H A 83 ARG HBy 1.0 . 3.93 27 26 A 83 ARG H A 83 ARG HBx 1.0 . 3.50 28 27 A 83 ARG H A 83 ARG HGx 1.0 . 3.77 29 27 A 83 ARG H A 83 ARG HGy 1.0 . 3.77 30 28 A 83 ARG H A 44 ASN HD2x 1.0 . 5.32 31 29 A 37 ILE H A 38 LYS H 1.0 . 5.46 32 30 A 38 LYS H A 39 GLN H 1.0 . 4.08 33 31 A 38 LYS H A 36 ASN HBy 1.0 . 5.50 34 32 A 38 LYS H A 37 ILE HA 1.0 . 3.14 35 33 A 37 ILE H A 55 THR HA 1.0 . 5.12 36 34 A 15 ALA H A 18 THR HA 1.0 . 5.50 37 35 A 15 ALA H A 16 ASP HBx 1.0 . 5.50 38 35 A 15 ALA H A 16 ASP HBy 1.0 . 5.50 39 36 A 15 ALA H A 20 PHE HZ 1.0 . 5.50 40 37 A 15 ALA H A 13 PHE HD% 1.0 . 4.77 41 38 A 15 ALA H A 14 THR HA 1.0 . 2.89 42 39 A 15 ALA H A 19 GLN HA 1.0 . 4.18 43 40 A 15 ALA H A 18 THR HB 1.0 . 4.35 44 41 A 15 ALA H A 14 THR HB 1.0 . 4.31 45 42 A 48 PRO HBx A 54 TRP HE1 1.0 . 5.50 46 43 A 54 TRP HE1 A 48 PRO HA 1.0 . 4.88 47 44 A 54 TRP HE1 A 40 TRP HBy 1.0 . 5.50 48 45 A 48 PRO HDy A 54 TRP HE1 1.0 . 5.50 49 46 A 48 PRO HDx A 54 TRP HE1 1.0 . 4.93 50 47 A 54 TRP HE1 A 45 LEU HD1% 1.0 . 5.50 51 48 A 50 ALA H A 51 GLY H 1.0 . 4.52 52 49 A 50 ALA H A 52 SER H 1.0 . 5.50 53 50 A 50 ALA H A 49 ASP H 1.0 . 4.89 54 51 A 50 ALA H A 49 ASP HA 1.0 . 2.78 55 52 A 50 ALA H A 49 ASP HBy 1.0 . 3.37 56 53 A 50 ALA H A 49 ASP HBx 1.0 . 3.99 57 54 A 62 VAL H A 55 THR HB 1.0 . 5.50 58 55 A 62 VAL H A 57 MET HBx 1.0 . 5.50 59 56 A 62 VAL H A 54 TRP HBx 1.0 . 5.04 60 57 A 62 VAL H A 57 MET H 1.0 . 4.87 61 58 A 62 VAL H A 61 TYR HD% 1.0 . 5.16 62 59 A 62 VAL H A 61 TYR HA 1.0 . 2.89 63 60 A 62 VAL H A 54 TRP HA 1.0 . 5.35 64 61 A 62 VAL H A 61 TYR HBy 1.0 . 4.23 65 62 A 62 VAL H A 61 TYR HBx 1.0 . 4.84 66 63 A 62 VAL H A 62 VAL HB 1.0 . 3.84 67 64 A 39 GLN HA A 41 GLN H 1.0 . 5.50 68 65 A 35 TYR HA A 56 TYR H 1.0 . 4.01 69 66 A 56 TYR H A 55 THR H 1.0 . 5.07 70 67 A 56 TYR H A 36 ASN H 1.0 . 5.50 71 68 A 55 THR HA A 56 TYR H 1.0 . 3.11 72 69 A 55 THR HB A 56 TYR H 1.0 . 3.46 73 70 A 56 TYR H A 56 TYR HBy 1.0 . 3.61 74 71 A 56 TYR H A 56 TYR HBx 1.0 . 3.89 75 72 A 63 LEU H A 75 TYR H 1.0 . 5.14 76 73 A 75 TYR H A 54 TRP HZ3 1.0 . 4.36 77 74 A 74 VAL HA A 75 TYR H 1.0 . 2.88 78 75 A 62 VAL HA A 75 TYR H 1.0 . 4.98 79 76 A 75 TYR H A 75 TYR HBy 1.0 . 3.95 80 77 A 61 TYR HBx A 75 TYR H 1.0 . 4.25 81 78 A 75 TYR H A 75 TYR HBx 1.0 . 3.68 82 79 A 75 TYR H A 60 ASN HBy 1.0 . 4.92 83 80 A 75 TYR H A 74 VAL HB 1.0 . 4.71 84 81 A 14 THR HA A 19 GLN H 1.0 . 5.28 85 82 A 19 GLN H A 20 PHE H 1.0 . 5.14 86 83 A 19 GLN H A 19 GLN HGy 1.0 . 3.98 87 83 A 19 GLN H A 19 GLN HGx 1.0 . 3.98 88 84 A 19 GLN H A 19 GLN HBy 1.0 . 3.27 89 85 A 57 MET H A 58 GLY H 1.0 . 4.32 90 86 A 57 MET H A 59 GLY H 1.0 . 4.76 91 87 A 57 MET H A 56 TYR HA 1.0 . 2.84 92 88 A 57 MET H A 56 TYR HBy 1.0 . 4.73 93 89 A 57 MET H A 56 TYR HBx 1.0 . 4.63 94 90 A 57 MET H A 60 ASN HBy 1.0 . 5.41 95 91 A 57 MET H A 57 MET HGy 1.0 . 4.27 96 92 A 57 MET H A 57 MET HGx 1.0 . 4.73 97 93 A 57 MET HBx A 57 MET H 1.0 . 3.94 98 94 A 57 MET H A 62 VAL HG1% 1.0 . 5.50 99 95 A 57 MET H A 56 TYR HE% 1.0 . 5.50 100 96 A 57 MET H A 56 TYR HD% 1.0 . 4.41 101 97 A 75 TYR H A 76 ASP H 1.0 . 5.43 102 98 A 76 ASP H A 10 LEU H 1.0 . 4.61 103 99 A 76 ASP H A 75 TYR HA 1.0 . 3.16 104 100 A 76 ASP H A 8 TYR HBy 1.0 . 4.06 105 101 A 76 ASP H A 8 TYR HBx 1.0 . 4.67 106 102 A 76 ASP H A 76 ASP HBy 1.0 . 3.36 107 103 A 76 ASP H A 76 ASP HBx 1.0 . 3.40 108 104 A 76 ASP H A 9 ALA HA 1.0 . 4.70 109 105 A 71 ILE H A 25 THR HB 1.0 . 5.50 110 106 A 71 ILE H A 24 ASP HBy 1.0 . 5.50 111 107 A 2 ALA HA A 3 ALA H 1.0 . 3.09 112 108 A 76 ASP H A 9 ALA H 1.0 . 5.49 113 109 A 75 TYR HA A 9 ALA H 1.0 . 5.06 114 110 A 8 TYR HBx A 9 ALA H 1.0 . 4.49 115 111 A 9 ALA H A 6 ASP HBx 1.0 . 5.50 116 112 A 10 LEU H A 9 ALA H 1.0 . 4.30 117 113 A 9 ALA H A 8 TYR H 1.0 . 2.90 118 114 A 9 ALA H A 8 TYR HD% 1.0 . 5.33 119 115 A 9 ALA H A 6 ASP HA 1.0 . 4.43 120 116 A 9 ALA H A 7 GLN HA 1.0 . 4.27 121 117 A 9 ALA H A 7 GLN HGy 1.0 . 5.28 122 118 A 71 ILE H A 24 ASP H 1.0 . 5.11 123 119 A 71 ILE H A 70 LYS HA 1.0 . 2.84 124 120 A 71 ILE H A 71 ILE HG2% 1.0 . 3.97 125 121 A 71 ILE H A 64 ILE HA 1.0 . 5.50 126 122 A 71 ILE H A 23 GLY HAy 1.0 . 5.50 127 123 A 71 ILE H A 71 ILE HB 1.0 . 2.95 128 124 A 71 ILE H A 26 VAL HG2% 1.0 . 4.26 129 125 A 71 ILE H A 71 ILE HG1x 1.0 . 3.79 130 126 A 20 PHE H A 20 PHE HE% 1.0 . 5.50 131 127 A 28 ALA H A 29 MET H 1.0 . 3.34 132 128 A 28 ALA H A 30 TYR H 1.0 . 4.74 133 129 A 28 ALA H A 27 PRO HBy 1.0 . 3.75 134 130 A 28 ALA H A 27 PRO HGy 1.0 . 5.28 135 131 A 28 ALA H A 27 PRO HGx 1.0 . 5.35 136 132 A 28 ALA H A 27 PRO HBx 1.0 . 4.06 137 133 A 15 ALA H A 16 ASP H 1.0 . 5.50 138 134 A 16 ASP H A 16 ASP HBx 1.0 . 4.14 139 134 A 16 ASP HBy A 16 ASP H 1.0 . 4.14 140 135 A 20 PHE H A 18 THR HG2% 1.0 . 5.50 141 136 A 20 PHE H A 13 PHE H 1.0 . 3.66 142 137 A 13 PHE HD% A 20 PHE H 1.0 . 4.79 143 138 A 20 PHE H A 20 PHE HD% 1.0 . 4.31 144 139 A 14 THR HA A 20 PHE H 1.0 . 3.95 145 140 A 20 PHE H A 20 PHE HBx 1.0 . 3.72 146 141 A 76 ASP HBy A 78 GLU H 1.0 . 4.33 147 142 A 78 GLU H A 8 TYR HE% 1.0 . 5.32 148 143 A 78 GLU H A 79 ILE HB 1.0 . 5.50 149 144 A 78 GLU H A 79 ILE H 1.0 . 3.26 150 145 A 78 GLU H A 80 PHE H 1.0 . 5.23 151 146 A 8 TYR HD% A 78 GLU H 1.0 . 5.50 152 147 A 78 GLU H A 78 GLU HGx 1.0 . 3.85 153 148 A 78 GLU H A 78 GLU HBx 1.0 . 3.01 154 148 A 78 GLU H A 78 GLU HBy 1.0 . 3.01 155 149 A 78 GLU H A 79 ILE HG2% 1.0 . 5.50 156 150 A 75 TYR H A 10 LEU H 1.0 . 5.36 157 151 A 10 LEU H A 11 LYS H 1.0 . 4.80 158 152 A 10 LEU H A 74 VAL H 1.0 . 4.61 159 153 A 10 LEU H A 75 TYR HD% 1.0 . 5.50 160 154 A 10 LEU H A 75 TYR HA 1.0 . 3.84 161 155 A 74 VAL HB A 10 LEU H 1.0 . 3.94 162 156 A 10 LEU H A 10 LEU HG 1.0 . 3.99 163 157 A 10 LEU H A 10 LEU HBy 1.0 . 3.91 164 158 A 10 LEU H A 10 LEU HBx 1.0 . 3.47 165 159 A 53 HIS HA A 54 TRP H 1.0 . 3.56 166 160 A 54 TRP H A 53 HIS HBy 1.0 . 3.86 167 161 A 54 TRP H A 54 TRP HBy 1.0 . 3.66 168 162 A 54 TRP HBx A 54 TRP H 1.0 . 4.21 169 163 A 48 PRO HBx A 54 TRP H 1.0 . 5.50 170 164 A 66 ASP H A 67 THR H 1.0 . 3.46 171 165 A 52 SER H A 66 ASP H 1.0 . 4.64 172 166 A 66 ASP H A 52 SER HA 1.0 . 3.02 173 167 A 66 ASP H A 65 THR HB 1.0 . 3.80 174 168 A 66 ASP H A 65 THR HA 1.0 . 2.74 175 169 A 66 ASP H A 51 GLY HAx 1.0 . 4.96 176 170 A 66 ASP H A 52 SER HBy 1.0 . 4.15 177 171 A 66 ASP H A 52 SER HBx 1.0 . 4.39 178 172 A 66 ASP H A 66 ASP HBy 1.0 . 3.54 179 173 A 66 ASP H A 66 ASP HBx 1.0 . 3.28 180 174 A 66 ASP H A 67 THR HG2% 1.0 . 5.22 181 175 A 66 ASP H A 72 LEU HD1% 1.0 . 5.50 182 176 A 66 ASP H A 64 ILE HD1% 1.0 . 5.50 183 177 A 8 TYR HD% A 6 ASP H 1.0 . 5.50 184 178 A 6 ASP H A 5 ILE HB 1.0 . 4.44 185 179 A 6 ASP H A 7 GLN H 1.0 . 3.18 186 180 A 6 ASP H A 5 ILE H 1.0 . 2.96 187 181 A 9 ALA H A 6 ASP H 1.0 . 5.50 188 182 A 6 ASP HBx A 6 ASP H 1.0 . 3.03 189 183 A 7 GLN HGy A 6 ASP H 1.0 . 5.03 190 184 A 6 ASP H A 5 ILE HG1y 1.0 . 3.88 191 185 A 6 ASP H A 5 ILE HG1x 1.0 . 4.29 192 186 A 6 ASP H A 5 ILE HG2% 1.0 . 4.76 193 187 A 80 PHE H A 80 PHE HBy 1.0 . 3.34 194 188 A 80 PHE H A 81 TYR HE% 1.0 . 5.16 195 189 A 80 PHE H A 79 ILE HG1y 1.0 . 5.50 196 190 A 79 ILE HB A 80 PHE H 1.0 . 4.95 197 191 A 75 TYR H A 74 VAL H 1.0 . 4.63 198 192 A 74 VAL H A 73 LYS HA 1.0 . 2.77 199 193 A 74 VAL HB A 74 VAL H 1.0 . 3.41 200 194 A 74 VAL H A 73 LYS HBx 1.0 . 4.01 201 195 A 74 VAL H A 73 LYS HGy 1.0 . 4.67 202 196 A 74 VAL H A 22 ILE HG2% 1.0 . 5.36 203 197 A 74 VAL H A 73 LYS HGx 1.0 . 5.04 204 198 A 64 ILE H A 52 SER HA 1.0 . 5.50 205 199 A 64 ILE H A 54 TRP HA 1.0 . 4.60 206 200 A 64 ILE H A 63 LEU HA 1.0 . 3.13 207 201 A 64 ILE H A 63 LEU HG 1.0 . 4.08 208 202 A 64 ILE H A 64 ILE HG2% 1.0 . 3.76 209 203 A 63 LEU HBx A 64 ILE H 1.0 . 4.61 210 204 A 24 ASP H A 22 ILE H 1.0 . 5.50 211 205 A 24 ASP H A 71 ILE HG1x 1.0 . 5.50 212 206 A 24 ASP H A 23 GLY H 1.0 . 3.14 213 207 A 24 ASP H A 25 THR H 1.0 . 4.62 214 208 A 24 ASP H A 22 ILE HA 1.0 . 4.17 215 209 A 24 ASP HBy A 24 ASP H 1.0 . 3.15 216 210 A 24 ASP H A 21 HIS HBx 1.0 . 4.89 217 211 A 24 ASP H A 71 ILE HB 1.0 . 3.57 218 212 A 24 ASP H A 22 ILE HG2% 1.0 . 5.36 219 213 A 24 ASP H A 71 ILE HD1% 1.0 . 4.12 220 214 A 79 ILE H A 80 PHE H 1.0 . 3.40 221 215 A 79 ILE H A 77 GLY HAx 1.0 . 4.49 222 216 A 8 TYR HBy A 79 ILE H 1.0 . 4.98 223 217 A 79 ILE H A 78 GLU HGx 1.0 . 5.15 224 218 A 79 ILE H A 78 GLU HBx 1.0 . 3.92 225 218 A 79 ILE H A 78 GLU HBy 1.0 . 3.92 226 219 A 79 ILE HB A 79 ILE H 1.0 . 3.10 227 220 A 79 ILE H A 79 ILE HG1x 1.0 . 4.46 228 221 A 82 HIS H A 83 ARG HA 1.0 . 5.50 229 222 A 82 HIS H A 81 TYR H 1.0 . 3.30 230 223 A 82 HIS HD2 A 82 HIS H 1.0 . 5.29 231 224 A 44 ASN HD2x A 82 HIS H 1.0 . 4.60 232 225 A 82 HIS H A 81 TYR HA 1.0 . 3.38 233 226 A 82 HIS HBy A 82 HIS H 1.0 . 3.22 234 227 A 82 HIS H A 82 HIS HBx 1.0 . 3.18 235 228 A 82 HIS H A 81 TYR HBx 1.0 . 4.39 236 229 A 40 TRP H A 39 GLN H 1.0 . 5.30 237 230 A 39 GLN H A 37 ILE HA 1.0 . 5.33 238 231 A 39 GLN H A 39 GLN HBx 1.0 . 4.07 239 232 A 40 TRP H A 41 GLN H 1.0 . 4.21 240 233 A 40 TRP H A 39 GLN HBx 1.0 . 5.50 241 234 A 64 ILE HA A 70 LYS H 1.0 . 4.49 242 235 A 70 LYS H A 25 THR HA 1.0 . 5.27 243 236 A 65 THR HB A 70 LYS H 1.0 . 5.13 244 237 A 65 THR HA A 70 LYS H 1.0 . 5.50 245 238 A 70 LYS H A 70 LYS HBy 1.0 . 3.32 246 239 A 70 LYS H A 25 THR HG2% 1.0 . 4.21 247 240 A 71 ILE H A 70 LYS H 1.0 . 4.72 248 241 A 70 LYS H A 68 GLU H 1.0 . 4.57 249 242 A 70 LYS H A 68 GLU HBx 1.0 . 4.42 250 243 A 70 LYS H A 70 LYS HBx 1.0 . 3.28 251 244 A 70 LYS H A 31 LEU HD2% 1.0 . 5.50 252 245 A 75 TYR H A 61 TYR H 1.0 . 3.91 253 246 A 61 TYR H A 77 GLY H 1.0 . 4.69 254 247 A 61 TYR H A 77 GLY HAy 1.0 . 5.49 255 248 A 61 TYR HBy A 61 TYR H 1.0 . 4.17 256 249 A 61 TYR HBx A 61 TYR H 1.0 . 3.73 257 250 A 60 ASN HBy A 61 TYR H 1.0 . 3.60 258 251 A 61 TYR H A 60 ASN HBx 1.0 . 4.16 259 252 A 77 GLY HAx A 61 TYR H 1.0 . 5.50 260 253 A 22 ILE H A 23 GLY H 1.0 . 4.84 261 254 A 22 ILE H A 21 HIS H 1.0 . 4.99 262 255 A 22 ILE H A 11 LYS HA 1.0 . 4.71 263 256 A 37 ILE H A 36 ASN H 1.0 . 4.92 264 257 A 36 ASN H A 34 GLU H 1.0 . 4.57 265 258 A 36 ASN H A 53 HIS HD2 1.0 . 5.10 266 259 A 55 THR HA A 36 ASN H 1.0 . 5.50 267 260 A 36 ASN H A 33 PRO HA 1.0 . 3.83 268 261 A 36 ASN H A 34 GLU HA 1.0 . 4.27 269 262 A 36 ASN H A 35 TYR HBy 1.0 . 4.98 270 263 A 36 ASN HBy A 36 ASN H 1.0 . 3.14 271 264 A 36 ASN H A 35 TYR HBx 1.0 . 4.61 272 265 A 36 ASN H A 36 ASN HBx 1.0 . 3.28 273 266 A 36 ASN H A 36 ASN HD2x 1.0 . 5.50 274 267 A 29 MET H A 31 LEU H 1.0 . 4.75 275 268 A 31 LEU H A 29 MET HA 1.0 . 4.78 276 269 A 31 LEU H A 28 ALA HA 1.0 . 3.55 277 270 A 31 LEU H A 30 TYR HBy 1.0 . 4.90 278 271 A 31 LEU H A 30 TYR HBx 1.0 . 4.46 279 272 A 31 LEU H A 31 LEU HBx 1.0 . 2.95 280 272 A 31 LEU H A 31 LEU HBy 1.0 . 2.95 281 273 A 8 TYR H A 7 GLN H 1.0 . 3.32 282 274 A 9 ALA H A 7 GLN H 1.0 . 4.68 283 275 A 7 GLN H A 7 GLN HE2y 1.0 . 4.76 284 276 A 8 TYR HE% A 7 GLN H 1.0 . 5.50 285 277 A 7 GLN H A 5 ILE HA 1.0 . 4.31 286 278 A 6 ASP HBx A 7 GLN H 1.0 . 3.85 287 279 A 7 GLN H A 7 GLN HBy 1.0 . 3.57 288 280 A 7 GLN HGy A 7 GLN H 1.0 . 3.08 289 281 A 7 GLN H A 9 ALA HB% 1.0 . 5.50 290 282 A 41 GLN H A 42 GLN H 1.0 . 4.08 291 283 A 40 TRP H A 42 GLN H 1.0 . 5.45 292 284 A 42 GLN H A 43 ARG H 1.0 . 3.71 293 285 A 42 GLN H A 42 GLN HBx 1.0 . 3.49 294 286 A 8 TYR H A 5 ILE HA 1.0 . 4.29 295 287 A 8 TYR HBy A 8 TYR H 1.0 . 4.05 296 288 A 8 TYR HBx A 8 TYR H 1.0 . 3.54 297 289 A 8 TYR H A 7 GLN HGy 1.0 . 4.00 298 290 A 8 TYR H A 6 ASP HA 1.0 . 5.35 299 291 A 6 ASP HBx A 8 TYR H 1.0 . 5.50 300 292 A 16 ASP H A 18 THR H 1.0 . 5.08 301 293 A 15 ALA H A 18 THR H 1.0 . 3.38 302 294 A 18 THR H A 17 PHE H 1.0 . 3.30 303 295 A 19 GLN H A 18 THR H 1.0 . 4.63 304 296 A 20 PHE HE% A 18 THR H 1.0 . 5.20 305 297 A 18 THR H A 17 PHE HDx 1.0 . 5.50 306 298 A 14 THR HA A 18 THR H 1.0 . 4.50 307 299 A 18 THR H A 15 ALA HA 1.0 . 5.50 308 300 A 18 THR H A 17 PHE HA 1.0 . 2.94 309 301 A 18 THR H A 17 PHE HBx 1.0 . 4.91 310 302 A 18 THR H A 16 ASP HBx 1.0 . 4.69 311 302 A 16 ASP HBy A 18 THR H 1.0 . 4.69 312 303 A 18 THR H A 17 PHE HBy 1.0 . 4.99 313 304 A 71 ILE H A 26 VAL H 1.0 . 4.73 314 305 A 26 VAL H A 71 ILE HG1y 1.0 . 4.96 315 306 A 26 VAL H A 31 LEU HD1% 1.0 . 4.26 316 307 A 34 GLU H A 33 PRO HGx 1.0 . 4.24 317 308 A 34 GLU H A 34 GLU HBy 1.0 . 3.47 318 309 A 11 LYS H A 12 GLU HA 1.0 . 5.50 319 310 A 11 LYS H A 10 LEU HBy 1.0 . 3.75 320 311 A 11 LYS H A 11 LYS HBx 1.0 . 3.48 321 312 A 79 ILE H A 81 TYR H 1.0 . 5.42 322 313 A 82 HIS HA A 81 TYR H 1.0 . 5.35 323 314 A 81 TYR H A 81 TYR HBy 1.0 . 3.87 324 315 A 81 TYR H A 81 TYR HBx 1.0 . 3.56 325 316 A 79 ILE HG2% A 81 TYR H 1.0 . 5.50 326 317 A 44 ASN H A 45 LEU H 1.0 . 4.28 327 318 A 45 LEU H A 46 PRO HDx 1.0 . 5.50 328 319 A 23 GLY H A 21 HIS HBx 1.0 . 5.50 329 320 A 22 ILE HG2% A 23 GLY H 1.0 . 3.80 330 321 A 20 PHE HD% A 21 HIS H 1.0 . 4.77 331 322 A 21 HIS H A 21 HIS HBy 1.0 . 3.98 332 323 A 21 HIS H A 20 PHE HBy 1.0 . 3.86 333 324 A 24 ASP H A 21 HIS H 1.0 . 4.51 334 325 A 24 ASP HBy A 21 HIS H 1.0 . 3.81 335 326 A 21 HIS HBx A 21 HIS H 1.0 . 3.66 336 327 A 20 PHE HBx A 21 HIS H 1.0 . 4.47 337 328 A 71 ILE HD1% A 21 HIS H 1.0 . 4.87 338 329 A 43 ARG H A 45 LEU H 1.0 . 5.12 339 330 A 45 LEU HD1% A 45 LEU H 1.0 . 5.19 340 331 A 45 LEU H A 46 PRO HDy 1.0 . 5.50 341 332 A 45 LEU H A 44 ASN HBx 1.0 . 5.50 342 332 A 45 LEU H A 44 ASN HBy 1.0 . 5.50 343 333 A 71 ILE HA A 23 GLY H 1.0 . 5.50 344 334 A 64 ILE H A 55 THR H 1.0 . 5.05 345 335 A 62 VAL H A 55 THR H 1.0 . 3.67 346 336 A 54 TRP HA A 55 THR H 1.0 . 3.04 347 337 A 55 THR HB A 55 THR H 1.0 . 4.01 348 338 A 55 THR H A 63 LEU HA 1.0 . 4.08 349 339 A 55 THR H A 54 TRP HBy 1.0 . 4.38 350 340 A 55 THR H A 64 ILE HG1x 1.0 . 4.98 351 341 A 63 LEU HD1% A 55 THR H 1.0 . 5.50 352 342 A 29 MET H A 30 TYR H 1.0 . 3.25 353 343 A 29 MET H A 30 TYR HD% 1.0 . 5.38 354 344 A 29 MET H A 27 PRO HGy 1.0 . 5.08 355 345 A 29 MET H A 27 PRO HGx 1.0 . 5.50 356 346 A 29 MET H A 29 MET HGy 1.0 . 3.32 357 347 A 29 MET H A 29 MET HBx 1.0 . 3.23 358 348 A 29 MET H A 29 MET HGx 1.0 . 3.25 359 349 A 13 PHE H A 14 THR H 1.0 . 4.64 360 350 A 13 PHE H A 12 GLU H 1.0 . 4.29 361 351 A 13 PHE H A 20 PHE HD% 1.0 . 4.47 362 352 A 13 PHE H A 12 GLU HA 1.0 . 2.84 363 353 A 19 GLN HA A 13 PHE H 1.0 . 4.71 364 354 A 13 PHE H A 20 PHE HBy 1.0 . 5.14 365 355 A 13 PHE H A 12 GLU HBy 1.0 . 3.75 366 356 A 13 PHE H A 12 GLU HGx 1.0 . 4.09 367 357 A 13 PHE H A 12 GLU HBx 1.0 . 3.53 368 358 A 13 PHE H A 20 PHE HBx 1.0 . 4.44 369 359 A 13 PHE H A 74 VAL HG2% 1.0 . 5.50 370 360 A 14 THR H A 60 ASN HD2x 1.0 . 5.39 371 361 A 14 THR H A 60 ASN HD2y 1.0 . 4.96 372 362 A 20 PHE HD% A 14 THR H 1.0 . 5.07 373 363 A 19 GLN HA A 14 THR H 1.0 . 5.35 374 364 A 14 THR HB A 14 THR H 1.0 . 3.19 375 365 A 14 THR H A 13 PHE HBy 1.0 . 3.61 376 366 A 14 THR H A 13 PHE HBx 1.0 . 3.32 377 367 A 51 GLY H A 52 SER H 1.0 . 3.05 378 368 A 52 SER H A 53 HIS H 1.0 . 4.52 379 369 A 52 SER H A 49 ASP H 1.0 . 4.95 380 370 A 52 SER H A 50 ALA HA 1.0 . 4.40 381 371 A 52 SER H A 52 SER HBy 1.0 . 3.77 382 372 A 52 SER H A 52 SER HBx 1.0 . 4.13 383 373 A 52 SER H A 49 ASP HBx 1.0 . 5.43 384 374 A 52 SER H A 48 PRO HBy 1.0 . 4.95 385 375 A 48 PRO HBx A 52 SER H 1.0 . 5.39 386 376 A 52 SER H A 65 THR HA 1.0 . 5.29 387 377 A 52 SER H A 65 THR HG2% 1.0 . 5.00 388 378 A 63 LEU HD1% A 52 SER H 1.0 . 5.50 389 379 A 58 GLY HAx A 60 ASN H 1.0 . 4.97 390 380 A 60 ASN H A 58 GLY HAy 1.0 . 4.88 391 381 A 58 GLY H A 60 ASN H 1.0 . 4.60 392 382 A 61 TYR H A 60 ASN H 1.0 . 4.73 393 383 A 57 MET H A 60 ASN H 1.0 . 3.55 394 384 A 77 GLY H A 60 ASN H 1.0 . 5.25 395 385 A 59 GLY H A 60 ASN H 1.0 . 3.30 396 386 A 60 ASN HD2x A 60 ASN H 1.0 . 4.04 397 387 A 60 ASN HBy A 60 ASN H 1.0 . 4.04 398 388 A 60 ASN HBx A 60 ASN H 1.0 . 3.43 399 389 A 60 ASN H A 57 MET HA 1.0 . 5.50 400 390 A 61 TYR HA A 60 ASN H 1.0 . 5.50 401 391 A 60 ASN H A 74 VAL HG1% 1.0 . 5.50 402 392 A 41 GLN H A 43 ARG H 1.0 . 5.50 403 393 A 43 ARG H A 44 ASN H 1.0 . 4.64 404 394 A 43 ARG H A 40 TRP HA 1.0 . 4.85 405 395 A 43 ARG H A 42 GLN HBy 1.0 . 5.34 406 396 A 43 ARG H A 42 GLN HBx 1.0 . 5.03 407 397 A 43 ARG H A 43 ARG HBx 1.0 . 4.02 408 398 A 43 ARG H A 45 LEU HD2% 1.0 . 5.50 409 399 A 35 TYR H A 35 TYR HE% 1.0 . 5.50 410 400 A 34 GLU H A 35 TYR H 1.0 . 3.39 411 401 A 33 PRO HA A 35 TYR H 1.0 . 4.54 412 402 A 36 ASN HBy A 35 TYR H 1.0 . 5.50 413 403 A 35 TYR HBx A 35 TYR H 1.0 . 3.27 414 404 A 35 TYR H A 34 GLU HGy 1.0 . 5.15 415 405 A 66 ASP H A 68 GLU H 1.0 . 5.50 416 406 A 68 GLU H A 66 ASP HA 1.0 . 4.19 417 407 A 68 GLU H A 68 GLU HGx 1.0 . 4.19 418 407 A 68 GLU H A 68 GLU HGy 1.0 . 4.19 419 408 A 68 GLU H A 68 GLU HBx 1.0 . 3.93 420 409 A 68 GLU H A 65 THR HG2% 1.0 . 5.50 421 410 A 43 ARG H A 42 GLN HGx 1.0 . 5.50 422 411 A 36 ASN HBx A 35 TYR H 1.0 . 5.08 423 412 A 68 GLU H A 31 LEU HD2% 1.0 . 5.50 424 413 A 30 TYR H A 32 THR H 1.0 . 5.06 425 414 A 30 TYR H A 30 TYR HD% 1.0 . 3.63 426 415 A 30 TYR H A 27 PRO HDx 1.0 . 5.50 427 416 A 30 TYR H A 30 TYR HBx 1.0 . 3.22 428 417 A 30 TYR H A 26 VAL HB 1.0 . 4.76 429 418 A 30 TYR H A 29 MET HBx 1.0 . 4.15 430 419 A 30 TYR H A 26 VAL HG1% 1.0 . 4.79 431 420 A 30 TYR H A 31 LEU HD1% 1.0 . 5.46 432 421 A 30 TYR H A 31 LEU HD2% 1.0 . 5.50 433 422 A 11 LYS H A 12 GLU H 1.0 . 2.88 434 423 A 12 GLU H A 10 LEU HA 1.0 . 4.51 435 424 A 12 GLU H A 12 GLU HBy 1.0 . 3.57 436 425 A 10 LEU HBy A 12 GLU H 1.0 . 3.40 437 426 A 10 LEU HBx A 12 GLU H 1.0 . 4.11 438 427 A 6 ASP HBx A 5 ILE H 1.0 . 5.06 439 428 A 5 ILE HB A 5 ILE H 1.0 . 3.90 440 429 A 5 ILE H A 5 ILE HG1y 1.0 . 3.67 441 430 A 5 ILE H A 5 ILE HG1x 1.0 . 3.29 442 431 A 72 LEU H A 73 LYS H 1.0 . 2.97 443 432 A 63 LEU H A 73 LYS H 1.0 . 3.47 444 433 A 74 VAL H A 73 LYS H 1.0 . 4.58 445 434 A 64 ILE HA A 73 LYS H 1.0 . 5.18 446 435 A 74 VAL HA A 73 LYS H 1.0 . 5.50 447 436 A 71 ILE HA A 73 LYS H 1.0 . 3.87 448 437 A 73 LYS HBx A 73 LYS H 1.0 . 3.61 449 438 A 73 LYS H A 72 LEU HBx 1.0 . 3.36 450 438 A 72 LEU HBy A 73 LYS H 1.0 . 3.36 451 439 A 63 LEU HBy A 73 LYS H 1.0 . 3.32 452 440 A 63 LEU HD2% A 73 LYS H 1.0 . 4.83 453 441 A 63 LEU HD1% A 73 LYS H 1.0 . 5.40 454 442 A 63 LEU HBx A 73 LYS H 1.0 . 3.87 455 443 A 79 ILE HG1x A 44 ASN HD2y 1.0 . 5.50 456 444 A 83 ARG HA A 44 ASN HD2y 1.0 . 5.50 457 445 A 58 GLY H A 30 TYR HE% 1.0 . 5.50 458 446 A 58 GLY H A 57 MET HA 1.0 . 3.00 459 447 A 58 GLY H A 59 GLY HAy 1.0 . 5.50 460 448 A 58 GLY H A 57 MET HGx 1.0 . 5.50 461 449 A 60 ASN HD2y A 60 ASN H 1.0 . 4.61 462 450 A 60 ASN HD2y A 60 ASN HA 1.0 . 5.50 463 451 A 60 ASN HD2y A 58 GLY HAy 1.0 . 5.04 464 452 A 60 ASN HD2y A 13 PHE HBx 1.0 . 4.17 465 453 A 77 GLY H A 10 LEU HD1% 1.0 . 5.50 466 454 A 59 GLY H A 60 ASN HD2y 1.0 . 5.50 467 455 A 78 GLU H A 77 GLY H 1.0 . 3.85 468 456 A 77 GLY H A 61 TYR HE% 1.0 . 5.50 469 457 A 77 GLY H A 60 ASN HA 1.0 . 3.71 470 458 A 77 GLY H A 76 ASP HA 1.0 . 3.45 471 459 A 60 ASN HBy A 77 GLY H 1.0 . 5.06 472 460 A 20 PHE H A 19 GLN HE2y 1.0 . 5.50 473 461 A 20 PHE H A 19 GLN HE2x 1.0 . 5.50 474 462 A 19 GLN HA A 19 GLN HE2y 1.0 . 5.28 475 463 A 13 PHE H A 19 GLN HE2y 1.0 . 5.28 476 464 A 19 GLN HE2y A 19 GLN HGy 1.0 . 3.69 477 464 A 19 GLN HGx A 19 GLN HE2y 1.0 . 3.69 478 465 A 19 GLN HE2y A 19 GLN HBx 1.0 . 4.61 479 466 A 19 GLN HA A 19 GLN HE2x 1.0 . 5.50 480 467 A 39 GLN HA A 39 GLN HE2y 1.0 . 5.50 481 468 A 39 GLN H A 39 GLN HE2y 1.0 . 5.50 482 469 A 39 GLN HBx A 39 GLN HE2y 1.0 . 5.25 483 470 A 7 GLN HE2y A 4 GLY H 1.0 . 5.02 484 471 A 7 GLN HE2y A 5 ILE HA 1.0 . 5.04 485 472 A 7 GLN HE2y A 7 GLN HBy 1.0 . 4.78 486 473 A 7 GLN HGy A 7 GLN HE2y 1.0 . 3.50 487 474 A 39 GLN H A 39 GLN HE2x 1.0 . 5.50 488 475 A 4 GLY H A 7 GLN HE2x 1.0 . 5.23 489 476 A 5 ILE H A 7 GLN HE2x 1.0 . 5.50 490 477 A 7 GLN HE2x A 4 GLY HAx 1.0 . 5.50 491 477 A 7 GLN HE2x A 4 GLY HAy 1.0 . 5.50 492 478 A 7 GLN HBy A 7 GLN HE2x 1.0 . 5.50 493 479 A 7 GLN H A 7 GLN HE2x 1.0 . 5.50 494 480 A 53 HIS H A 64 ILE HB 1.0 . 5.50 495 481 A 64 ILE HA A 53 HIS H 1.0 . 5.45 496 482 A 39 GLN HE2y A 39 GLN HBy 1.0 . 5.50 497 483 A 53 HIS H A 64 ILE HG1y 1.0 . 4.51 498 484 A 63 LEU HG A 53 HIS H 1.0 . 4.22 499 485 A 64 ILE HD1% A 53 HIS H 1.0 . 4.58 500 486 A 63 LEU HD2% A 53 HIS H 1.0 . 5.29 501 487 A 54 TRP H A 53 HIS H 1.0 . 4.86 502 488 A 64 ILE H A 53 HIS H 1.0 . 3.64 503 489 A 52 SER HA A 53 HIS H 1.0 . 2.98 504 490 A 65 THR HA A 53 HIS H 1.0 . 4.15 505 491 A 63 LEU HA A 53 HIS H 1.0 . 4.68 506 492 A 52 SER HBy A 53 HIS H 1.0 . 3.87 507 493 A 52 SER HBx A 53 HIS H 1.0 . 3.19 508 494 A 53 HIS H A 65 THR HG2% 1.0 . 5.50 509 495 A 52 SER HBy A 65 THR H 1.0 . 5.50 510 496 A 52 SER HBx A 65 THR H 1.0 . 5.50 511 497 A 72 LEU H A 65 THR H 1.0 . 4.68 512 498 A 64 ILE H A 65 THR H 1.0 . 4.82 513 499 A 70 LYS H A 65 THR H 1.0 . 3.12 514 500 A 64 ILE HA A 65 THR H 1.0 . 2.82 515 501 A 52 SER HA A 65 THR H 1.0 . 4.92 516 502 A 70 LYS HA A 65 THR H 1.0 . 5.41 517 503 A 65 THR H A 69 GLY HAx 1.0 . 4.08 518 504 A 65 THR H A 69 GLY HAy 1.0 . 4.33 519 505 A 72 LEU HG A 65 THR H 1.0 . 4.39 520 506 A 64 ILE HB A 65 THR H 1.0 . 3.35 521 507 A 64 ILE HG1y A 65 THR H 1.0 . 4.54 522 508 A 72 LEU HD1% A 65 THR H 1.0 . 4.18 523 509 A 25 THR H A 71 ILE HD1% 1.0 . 5.50 524 510 A 71 ILE HG1x A 25 THR H 1.0 . 5.50 525 511 A 71 ILE H A 25 THR H 1.0 . 5.15 526 512 A 25 THR H A 21 HIS H 1.0 . 5.42 527 513 A 25 THR H A 26 VAL HA 1.0 . 4.90 528 514 A 25 THR H A 24 ASP HBx 1.0 . 3.19 529 515 A 26 VAL HG2% A 25 THR H 1.0 . 5.50 530 516 A 42 GLN HA A 42 GLN HE2y 1.0 . 5.50 531 517 A 42 GLN HGx A 42 GLN HE2y 1.0 . 4.03 532 518 A 42 GLN HBy A 42 GLN HE2y 1.0 . 5.38 533 519 A 51 GLY H A 50 ALA HA 1.0 . 2.67 534 520 A 16 ASP H A 17 PHE H 1.0 . 3.55 535 521 A 15 ALA H A 17 PHE H 1.0 . 5.32 536 522 A 17 PHE H A 15 ALA HA 1.0 . 4.73 537 523 A 17 PHE H A 16 ASP HA 1.0 . 3.17 538 524 A 17 PHE H A 17 PHE HA 1.0 . 2.80 539 525 A 17 PHE H A 16 ASP HBx 1.0 . 3.96 540 525 A 16 ASP HBy A 17 PHE H 1.0 . 3.96 541 526 A 30 TYR HBx A 32 THR H 1.0 . 5.50 542 527 A 34 GLU H A 32 THR H 1.0 . 5.42 543 528 A 31 LEU H A 32 THR H 1.0 . 3.01 544 529 A 35 TYR HE% A 32 THR H 1.0 . 5.50 545 530 A 32 THR H A 30 TYR HA 1.0 . 4.23 546 531 A 32 THR H A 31 LEU HBx 1.0 . 3.93 547 531 A 31 LEU HBy A 32 THR H 1.0 . 3.93 548 532 A 31 LEU HD1% A 32 THR H 1.0 . 5.50 549 533 A 65 THR H A 69 GLY H 1.0 . 4.70 550 534 A 68 GLU H A 69 GLY H 1.0 . 3.19 551 535 A 66 ASP HA A 69 GLY H 1.0 . 4.62 552 536 A 65 THR HG2% A 69 GLY H 1.0 . 5.50 553 537 A 25 THR HG2% A 69 GLY H 1.0 . 4.76 554 538 A 69 GLY H A 68 GLU HGx 1.0 . 5.01 555 538 A 68 GLU HGy A 69 GLY H 1.0 . 5.01 556 539 A 69 GLY H A 68 GLU HBy 1.0 . 4.67 557 540 A 68 GLU HBx A 69 GLY H 1.0 . 4.45 558 541 A 31 LEU HD1% A 69 GLY H 1.0 . 4.84 559 542 A 5 ILE HG2% A 4 GLY H 1.0 . 5.50 560 543 A 6 ASP H A 4 GLY H 1.0 . 3.90 561 544 A 5 ILE H A 4 GLY H 1.0 . 4.14 562 545 A 4 GLY H A 3 ALA HA 1.0 . 3.18 563 546 A 4 GLY H A 3 ALA HB% 1.0 . 4.55 564 547 A 67 THR H A 69 GLY H 1.0 . 4.19 565 548 A 67 THR H A 68 GLU H 1.0 . 3.30 566 549 A 67 THR H A 65 THR HB 1.0 . 4.34 567 550 A 67 THR H A 66 ASP HA 1.0 . 3.52 568 551 A 67 THR H A 66 ASP HBy 1.0 . 3.85 569 552 A 67 THR H A 66 ASP HBx 1.0 . 4.04 570 553 A 67 THR H A 68 GLU HBx 1.0 . 5.50 571 554 A 67 THR H A 65 THR HG2% 1.0 . 4.81 572 555 A 67 THR H A 52 SER HA 1.0 . 5.25 573 556 A 33 PRO HA A 36 ASN HD2y 1.0 . 4.67 574 557 A 36 ASN HD2y A 53 HIS HBx 1.0 . 5.50 575 558 A 36 ASN HD2y A 38 LYS HGx 1.0 . 5.50 576 559 A 53 HIS HBy A 36 ASN HD2x 1.0 . 5.50 577 560 A 33 PRO HA A 36 ASN HD2x 1.0 . 5.07 578 561 A 44 ASN H A 45 LEU HG 1.0 . 5.50 579 562 A 59 GLY H A 60 ASN HBx 1.0 . 5.50 580 563 A 58 GLY H A 59 GLY H 1.0 . 3.74 581 564 A 59 GLY H A 57 MET HA 1.0 . 4.97 582 565 A 77 GLY HAx A 61 TYR HE% 1.0 . 3.79 583 566 A 79 ILE HG2% A 77 GLY HAx 1.0 . 4.83 584 567 A 61 TYR HD% A 77 GLY HAx 1.0 . 4.17 585 568 A 64 ILE HB A 69 GLY HAx 1.0 . 3.46 586 569 A 64 ILE HD1% A 69 GLY HAx 1.0 . 3.99 587 570 A 26 VAL H A 69 GLY HAx 1.0 . 4.83 588 571 A 26 VAL H A 69 GLY HAy 1.0 . 4.92 589 572 A 26 VAL HG1% A 69 GLY HAy 1.0 . 4.37 590 573 A 31 LEU HD2% A 69 GLY HAy 1.0 . 4.20 591 574 A 69 GLY HAy A 68 GLU HBy 1.0 . 5.07 592 575 A 69 GLY HAy A 31 LEU HG 1.0 . 5.50 593 576 A 16 ASP H A 58 GLY HAx 1.0 . 5.49 594 577 A 58 GLY HAx A 15 ALA HB% 1.0 . 4.05 595 578 A 16 ASP H A 58 GLY HAy 1.0 . 5.13 596 579 A 60 ASN HD2x A 58 GLY HAy 1.0 . 5.50 597 580 A 60 ASN HD2y A 58 GLY HAx 1.0 . 5.49 598 581 A 60 ASN HD2x A 58 GLY HAx 1.0 . 5.42 599 582 A 58 GLY HAy A 13 PHE HE% 1.0 . 5.01 600 583 A 11 LYS H A 10 LEU HBx 1.0 . 4.40 601 584 A 9 ALA HA A 10 LEU HBx 1.0 . 5.15 602 585 A 66 ASP H A 51 GLY HAy 1.0 . 5.13 603 586 A 5 ILE HA A 4 GLY HAx 1.0 . 3.92 604 586 A 5 ILE HA A 4 GLY HAy 1.0 . 3.92 605 587 A 6 ASP H A 4 GLY HAx 1.0 . 3.62 606 587 A 6 ASP H A 4 GLY HAy 1.0 . 3.62 607 588 A 5 ILE H A 4 GLY HAx 1.0 . 2.69 608 588 A 5 ILE H A 4 GLY HAy 1.0 . 2.69 609 589 A 7 GLN HE2y A 4 GLY HAx 1.0 . 4.80 610 589 A 7 GLN HE2y A 4 GLY HAy 1.0 . 4.80 611 590 A 7 GLN HGy A 4 GLY HAx 1.0 . 5.32 612 590 A 7 GLN HGy A 4 GLY HAy 1.0 . 5.32 613 591 A 5 ILE HG1x A 4 GLY HAx 1.0 . 4.31 614 591 A 5 ILE HG1x A 4 GLY HAy 1.0 . 4.31 615 592 A 5 ILE HG2% A 4 GLY HAx 1.0 . 4.29 616 592 A 5 ILE HG2% A 4 GLY HAy 1.0 . 4.29 617 593 A 79 ILE HD1% A 4 GLY HAx 1.0 . 5.50 618 593 A 4 GLY HAy A 79 ILE HD1% 1.0 . 5.50 619 594 A 6 ASP HBx A 4 GLY HAx 1.0 . 4.94 620 594 A 6 ASP HBx A 4 GLY HAy 1.0 . 4.94 621 595 A 5 ILE HB A 4 GLY HAx 1.0 . 5.16 622 595 A 5 ILE HB A 4 GLY HAy 1.0 . 5.16 623 596 A 71 ILE HB A 23 GLY HAx 1.0 . 5.32 624 597 A 23 GLY HAx A 70 LYS HDx 1.0 . 5.02 625 597 A 23 GLY HAx A 70 LYS HDy 1.0 . 5.02 626 598 A 23 GLY HAy A 71 ILE HB 1.0 . 4.95 627 599 A 23 GLY HAy A 22 ILE HG2% 1.0 . 4.72 628 600 A 23 GLY HAy A 70 LYS HDx 1.0 . 4.53 629 600 A 23 GLY HAy A 70 LYS HDy 1.0 . 4.53 630 601 A 76 ASP HBy A 78 GLU HBx 1.0 . 4.27 631 601 A 76 ASP HBy A 78 GLU HBy 1.0 . 4.27 632 602 A 76 ASP HBy A 77 GLY H 1.0 . 4.70 633 603 A 8 TYR HBy A 76 ASP HBy 1.0 . 3.88 634 604 A 76 ASP HBy A 10 LEU HD1% 1.0 . 4.47 635 605 A 76 ASP HBy A 10 LEU HD2% 1.0 . 4.85 636 606 A 76 ASP HBx A 8 TYR HD% 1.0 . 4.17 637 607 A 8 TYR HBy A 76 ASP HBx 1.0 . 4.04 638 608 A 76 ASP HBx A 10 LEU HG 1.0 . 4.50 639 609 A 52 SER HBx A 72 LEU HBx 1.0 . 4.80 640 609 A 72 LEU HBy A 52 SER HBx 1.0 . 4.80 641 610 A 76 ASP HBy A 8 TYR HA 1.0 . 4.43 642 611 A 8 TYR HBx A 76 ASP HBy 1.0 . 4.66 643 612 A 76 ASP HBx A 77 GLY H 1.0 . 4.59 644 613 A 76 ASP HBx A 78 GLU HBx 1.0 . 4.80 645 613 A 76 ASP HBx A 78 GLU HBy 1.0 . 4.80 646 614 A 76 ASP HBx A 8 TYR HA 1.0 . 4.18 647 615 A 83 ARG H A 83 ARG HDx 1.0 . 5.15 648 615 A 83 ARG H A 83 ARG HDy 1.0 . 5.15 649 616 A 83 ARG HBy A 83 ARG HDx 1.0 . 3.70 650 616 A 83 ARG HBy A 83 ARG HDy 1.0 . 3.70 651 617 A 83 ARG HBx A 83 ARG HDx 1.0 . 3.79 652 617 A 83 ARG HBx A 83 ARG HDy 1.0 . 3.79 653 618 A 20 PHE H A 20 PHE HBy 1.0 . 4.16 654 619 A 71 ILE HG2% A 20 PHE HBy 1.0 . 3.88 655 620 A 20 PHE HBx A 15 ALA HB% 1.0 . 5.50 656 621 A 71 ILE HG2% A 20 PHE HBx 1.0 . 4.32 657 622 A 75 TYR HBy A 76 ASP H 1.0 . 4.29 658 623 A 75 TYR HBy A 9 ALA HA 1.0 . 5.33 659 624 A 75 TYR HBx A 8 TYR HBy 1.0 . 5.50 660 625 A 75 TYR HBx A 79 ILE HB 1.0 . 5.23 661 626 A 75 TYR HBx A 76 ASP H 1.0 . 4.88 662 627 A 75 TYR HBx A 61 TYR H 1.0 . 5.14 663 628 A 63 LEU HD2% A 73 LYS HEy 1.0 . 4.52 664 629 A 43 ARG HDy A 80 PHE HD% 1.0 . 5.29 665 630 A 45 LEU HD2% A 43 ARG HDy 1.0 . 5.50 666 631 A 37 ILE HG2% A 43 ARG HDx 1.0 . 5.50 667 632 A 45 LEU HD2% A 43 ARG HDx 1.0 . 5.50 668 633 A 24 ASP HBy A 20 PHE HA 1.0 . 5.29 669 634 A 24 ASP HBy A 25 THR H 1.0 . 3.73 670 635 A 24 ASP HBy A 20 PHE HD% 1.0 . 4.51 671 636 A 24 ASP HBx A 20 PHE HA 1.0 . 5.16 672 637 A 38 LYS HDy A 38 LYS HEx 1.0 . 2.86 673 637 A 38 LYS HDx A 38 LYS HEx 1.0 . 2.86 674 637 A 38 LYS HEy A 38 LYS HDx 1.0 . 2.86 675 637 A 38 LYS HDy A 38 LYS HEy 1.0 . 2.86 676 638 A 11 LYS HGx A 11 LYS HEx 1.0 . 3.21 677 638 A 11 LYS HGx A 11 LYS HEy 1.0 . 3.21 678 639 A 73 LYS HGx A 73 LYS HEy 1.0 . 4.22 679 640 A 54 TRP HZ2 A 73 LYS HEx 1.0 . 5.50 680 641 A 63 LEU HD2% A 73 LYS HEx 1.0 . 4.49 681 642 A 24 ASP HBy A 71 ILE HG2% 1.0 . 4.47 682 643 A 21 HIS H A 24 ASP HBx 1.0 . 4.02 683 644 A 24 ASP H A 24 ASP HBx 1.0 . 3.65 684 645 A 36 ASN HD2x A 38 LYS HEx 1.0 . 4.96 685 645 A 36 ASN HD2x A 38 LYS HEy 1.0 . 4.96 686 646 A 73 LYS HGy A 73 LYS HEx 1.0 . 3.88 687 647 A 73 LYS HGx A 73 LYS HEx 1.0 . 3.77 688 648 A 26 VAL HG1% A 64 ILE HB 1.0 . 4.95 689 649 A 64 ILE HB A 69 GLY H 1.0 . 4.23 690 650 A 64 ILE HB A 69 GLY HAy 1.0 . 3.41 691 651 A 23 GLY HAy A 70 LYS HEy 1.0 . 4.81 692 652 A 70 LYS HBx A 70 LYS HEy 1.0 . 4.79 693 653 A 72 LEU HD2% A 70 LYS HEy 1.0 . 4.83 694 654 A 23 GLY HAx A 70 LYS HEx 1.0 . 5.50 695 655 A 71 ILE H A 70 LYS HEx 1.0 . 5.50 696 656 A 60 ASN HBy A 74 VAL HG1% 1.0 . 4.01 697 657 A 57 MET H A 60 ASN HBx 1.0 . 5.35 698 658 A 60 ASN HBx A 62 VAL HG2% 1.0 . 4.44 699 659 A 60 ASN HBx A 60 ASN HD2x 1.0 . 3.93 700 660 A 62 VAL HG1% A 60 ASN HBx 1.0 . 5.50 701 661 A 60 ASN HBx A 74 VAL HG1% 1.0 . 4.41 702 662 A 60 ASN HBy A 10 LEU HD1% 1.0 . 5.19 703 663 A 60 ASN HBy A 74 VAL HG2% 1.0 . 5.50 704 664 A 60 ASN HBx A 10 LEU HD1% 1.0 . 5.50 705 665 A 63 LEU HBy A 72 LEU HBx 1.0 . 4.12 706 665 A 63 LEU HBy A 72 LEU HBy 1.0 . 4.12 707 666 A 63 LEU HBy A 73 LYS HBx 1.0 . 3.97 708 667 A 63 LEU HBx A 54 TRP HZ2 1.0 . 4.28 709 668 A 63 LEU HBx A 63 LEU HD1% 1.0 . 4.12 710 669 A 63 LEU HBx A 73 LYS HBx 1.0 . 4.20 711 670 A 63 LEU HBx A 72 LEU HBx 1.0 . 4.46 712 670 A 63 LEU HBx A 72 LEU HBy 1.0 . 4.46 713 671 A 61 TYR HBy A 75 TYR H 1.0 . 4.99 714 672 A 49 ASP H A 49 ASP HBy 1.0 . 3.77 715 673 A 56 TYR HBy A 37 ILE HG1y 1.0 . 5.50 716 674 A 56 TYR HBx A 37 ILE HG1y 1.0 . 5.19 717 675 A 61 TYR HD% A 56 TYR HBx 1.0 . 5.50 718 676 A 79 ILE HG2% A 80 PHE HBx 1.0 . 4.84 719 677 A 63 LEU HD2% A 49 ASP HBy 1.0 . 5.10 720 678 A 52 SER H A 49 ASP HBy 1.0 . 5.36 721 679 A 49 ASP H A 49 ASP HBx 1.0 . 3.61 722 680 A 49 ASP HBx A 52 SER HBx 1.0 . 5.20 723 681 A 63 LEU HD2% A 49 ASP HBx 1.0 . 4.89 724 682 A 54 TRP HE1 A 45 LEU HBy 1.0 . 5.50 725 683 A 45 LEU HBy A 40 TRP HE3 1.0 . 4.98 726 684 A 45 LEU H A 45 LEU HBy 1.0 . 3.95 727 685 A 40 TRP HBy A 45 LEU HBy 1.0 . 4.12 728 686 A 40 TRP HE3 A 45 LEU HBx 1.0 . 5.28 729 687 A 40 TRP HBy A 45 LEU HBx 1.0 . 4.01 730 688 A 54 TRP HE1 A 45 LEU HBx 1.0 . 4.98 731 689 A 79 ILE HG2% A 80 PHE HBy 1.0 . 4.70 732 690 A 80 PHE HBy A 77 GLY HAy 1.0 . 3.92 733 691 A 80 PHE H A 80 PHE HBx 1.0 . 3.10 734 692 A 6 ASP HBx A 75 TYR HE% 1.0 . 5.39 735 693 A 6 ASP H A 6 ASP HBy 1.0 . 3.23 736 694 A 7 GLN H A 6 ASP HBy 1.0 . 4.03 737 695 A 9 ALA HB% A 6 ASP HBy 1.0 . 4.61 738 696 A 6 ASP HBx A 9 ALA HB% 1.0 . 4.67 739 697 A 4 GLY H A 6 ASP HBy 1.0 . 5.50 740 698 A 35 TYR HBy A 30 TYR HE% 1.0 . 4.90 741 698 A 35 TYR HBy A 30 TYR HD% 1.0 . 4.90 742 699 A 56 TYR HBy A 35 TYR HBy 1.0 . 5.50 743 700 A 56 TYR H A 35 TYR HBx 1.0 . 5.29 744 701 A 56 TYR H A 35 TYR HBy 1.0 . 4.76 745 702 A 35 TYR HBy A 35 TYR H 1.0 . 3.73 746 703 A 35 TYR HBy A 30 TYR HA 1.0 . 4.77 747 704 A 60 ASN HD2y A 13 PHE HBy 1.0 . 4.62 748 705 A 60 ASN HD2x A 13 PHE HBy 1.0 . 4.71 749 706 A 13 PHE HBx A 10 LEU HD1% 1.0 . 4.70 750 707 A 13 PHE HBx A 74 VAL HG1% 1.0 . 4.99 751 708 A 60 ASN HD2x A 13 PHE HBx 1.0 . 4.80 752 709 A 35 TYR HBx A 30 TYR HE% 1.0 . 5.49 753 709 A 35 TYR HBx A 30 TYR HD% 1.0 . 5.49 754 710 A 20 PHE HZ A 16 ASP HBx 1.0 . 5.50 755 711 A 8 TYR HBy A 79 ILE HG2% 1.0 . 5.41 756 712 A 8 TYR HBx A 5 ILE HA 1.0 . 5.48 757 713 A 8 TYR HBx A 79 ILE HG2% 1.0 . 5.50 758 714 A 16 ASP HBy A 17 PHE H 1.0 . 4.23 759 715 A 16 ASP HBy A 15 ALA HB% 1.0 . 5.12 760 716 A 16 ASP HBy A 18 THR H 1.0 . 4.95 761 717 A 17 PHE H A 16 ASP HBx 1.0 . 4.25 762 718 A 18 THR H A 16 ASP HBx 1.0 . 5.24 763 719 A 8 TYR HBy A 9 ALA H 1.0 . 5.14 764 720 A 37 ILE H A 36 ASN HBy 1.0 . 5.00 765 721 A 36 ASN HBy A 36 ASN HD2y 1.0 . 3.94 766 722 A 37 ILE H A 36 ASN HBx 1.0 . 5.17 767 723 A 36 ASN HBx A 36 ASN HD2y 1.0 . 3.93 768 724 A 72 LEU H A 71 ILE HB 1.0 . 5.27 769 725 A 71 ILE HB A 23 GLY H 1.0 . 3.04 770 726 A 8 TYR HBx A 5 ILE HB 1.0 . 5.45 771 727 A 82 HIS H A 81 TYR HBy 1.0 . 5.50 772 728 A 8 TYR HD% A 5 ILE HB 1.0 . 4.13 773 729 A 45 LEU HD1% A 79 ILE HB 1.0 . 5.50 774 730 A 8 TYR HE% A 79 ILE HB 1.0 . 5.35 775 731 A 8 TYR HBy A 79 ILE HB 1.0 . 4.36 776 732 A 8 TYR HBx A 79 ILE HB 1.0 . 4.47 777 733 A 63 LEU HBx A 73 LYS HBy 1.0 . 4.51 778 734 A 73 LYS HBy A 22 ILE HD1% 1.0 . 5.50 779 735 A 73 LYS HBx A 74 VAL HG2% 1.0 . 5.50 780 736 A 73 LYS HBx A 73 LYS HEy 1.0 . 5.28 781 737 A 73 LYS HBx A 73 LYS HEx 1.0 . 5.12 782 738 A 74 VAL H A 73 LYS HBy 1.0 . 3.78 783 739 A 73 LYS HBy A 54 TRP HH2 1.0 . 4.41 784 740 A 75 TYR HE% A 73 LYS HBy 1.0 . 5.37 785 741 A 73 LYS HEy A 73 LYS HBy 1.0 . 4.87 786 742 A 63 LEU HD2% A 73 LYS HBy 1.0 . 4.88 787 743 A 63 LEU HD1% A 73 LYS HBx 1.0 . 5.50 788 744 A 73 LYS HBx A 75 TYR HE% 1.0 . 5.08 789 745 A 63 LEU H A 73 LYS HBx 1.0 . 4.83 790 746 A 30 TYR HBy A 32 THR H 1.0 . 5.48 791 747 A 30 TYR H A 30 TYR HBy 1.0 . 3.66 792 748 A 30 TYR HBy A 26 VAL HB 1.0 . 4.48 793 749 A 44 ASN HD2y A 44 ASN HBx 1.0 . 3.87 794 749 A 44 ASN HBy A 44 ASN HD2y 1.0 . 3.87 795 750 A 79 ILE HG1x A 44 ASN HBx 1.0 . 4.18 796 750 A 79 ILE HG1x A 44 ASN HBy 1.0 . 4.18 797 751 A 79 ILE HG2% A 44 ASN HBx 1.0 . 5.32 798 751 A 79 ILE HG2% A 44 ASN HBy 1.0 . 5.32 799 752 A 79 ILE HD1% A 44 ASN HBx 1.0 . 5.15 800 752 A 44 ASN HBy A 79 ILE HD1% 1.0 . 5.15 801 753 A 79 ILE H A 78 GLU HGy 1.0 . 5.33 802 754 A 78 GLU H A 78 GLU HGy 1.0 . 3.84 803 755 A 78 GLU HGy A 81 TYR HD% 1.0 . 5.50 804 756 A 70 LYS HEx A 68 GLU HGx 1.0 . 5.50 805 756 A 68 GLU HGy A 70 LYS HEx 1.0 . 5.50 806 757 A 70 LYS H A 68 GLU HGx 1.0 . 4.38 807 757 A 70 LYS H A 68 GLU HGy 1.0 . 4.38 808 758 A 68 GLU HBy A 68 GLU HGx 1.0 . 2.78 809 758 A 68 GLU HGy A 68 GLU HBy 1.0 . 2.78 810 759 A 70 LYS HGy A 68 GLU HGx 1.0 . 4.27 811 759 A 68 GLU HGy A 70 LYS HGy 1.0 . 4.27 812 760 A 67 THR H A 68 GLU HGx 1.0 . 5.50 813 760 A 67 THR H A 68 GLU HGy 1.0 . 5.50 814 761 A 34 GLU H A 34 GLU HGy 1.0 . 4.29 815 762 A 35 TYR HE% A 34 GLU HGx 1.0 . 5.50 816 763 A 17 PHE HBy A 14 THR HG2% 1.0 . 5.50 817 764 A 17 PHE HBx A 14 THR HG2% 1.0 . 5.50 818 765 A 34 GLU H A 34 GLU HGx 1.0 . 4.46 819 766 A 62 VAL HG1% A 57 MET HBy 1.0 . 3.99 820 767 A 37 ILE H A 37 ILE HB 1.0 . 3.83 821 768 A 54 TRP HBy A 37 ILE HB 1.0 . 3.99 822 769 A 54 TRP H A 37 ILE HB 1.0 . 5.20 823 770 A 38 LYS H A 37 ILE HB 1.0 . 5.30 824 771 A 58 GLY H A 57 MET HBy 1.0 . 5.02 825 772 A 13 PHE HE% A 57 MET HBy 1.0 . 4.32 826 773 A 62 VAL HG2% A 57 MET HBy 1.0 . 4.16 827 774 A 57 MET HBx A 13 PHE HE% 1.0 . 4.20 828 775 A 57 MET HBx A 62 VAL HG1% 1.0 . 3.99 829 776 A 57 MET HBx A 58 GLY H 1.0 . 5.04 830 777 A 23 GLY H A 22 ILE HB 1.0 . 4.53 831 778 A 11 LYS HA A 22 ILE HB 1.0 . 4.59 832 779 A 22 ILE H A 22 ILE HB 1.0 . 3.15 833 780 A 22 ILE HB A 21 HIS HA 1.0 . 5.38 834 781 A 74 VAL HB A 22 ILE HD1% 1.0 . 4.75 835 782 A 74 VAL HB A 9 ALA HA 1.0 . 5.50 836 783 A 74 VAL HB A 10 LEU HBx 1.0 . 3.56 837 784 A 74 VAL HB A 62 VAL HG2% 1.0 . 5.50 838 785 A 12 GLU HGy A 13 PHE HA 1.0 . 5.25 839 786 A 11 LYS H A 12 GLU HGy 1.0 . 5.42 840 787 A 13 PHE H A 12 GLU HGy 1.0 . 4.50 841 788 A 12 GLU H A 12 GLU HGy 1.0 . 3.97 842 789 A 12 GLU HGy A 21 HIS HD2 1.0 . 5.50 843 790 A 12 GLU HGx A 21 HIS HD2 1.0 . 5.50 844 791 A 11 LYS H A 12 GLU HGx 1.0 . 5.50 845 792 A 12 GLU H A 12 GLU HGx 1.0 . 4.07 846 793 A 12 GLU HGx A 13 PHE HA 1.0 . 5.36 847 794 A 62 VAL HB A 55 THR H 1.0 . 5.24 848 795 A 42 GLN H A 42 GLN HGy 1.0 . 4.06 849 796 A 43 ARG H A 42 GLN HGy 1.0 . 5.38 850 797 A 42 GLN HBy A 42 GLN HGy 1.0 . 2.89 851 798 A 63 LEU H A 62 VAL HB 1.0 . 5.09 852 799 A 42 GLN H A 42 GLN HGx 1.0 . 4.18 853 800 A 42 GLN HBy A 42 GLN HGx 1.0 . 2.96 854 801 A 13 PHE H A 19 GLN HGy 1.0 . 5.49 855 801 A 19 GLN HGx A 13 PHE H 1.0 . 5.49 856 802 A 14 THR HA A 19 GLN HGy 1.0 . 4.99 857 802 A 14 THR HA A 19 GLN HGx 1.0 . 4.99 858 803 A 20 PHE H A 19 GLN HGy 1.0 . 4.33 859 803 A 20 PHE H A 19 GLN HGx 1.0 . 4.33 860 804 A 11 LYS HBx A 22 ILE HD1% 1.0 . 5.50 861 805 A 11 LYS HBx A 10 LEU HA 1.0 . 5.48 862 806 A 11 LYS H A 11 LYS HBy 1.0 . 3.93 863 807 A 22 ILE HD1% A 11 LYS HBy 1.0 . 5.50 864 808 A 11 LYS HBy A 11 LYS HEx 1.0 . 5.50 865 808 A 11 LYS HEy A 11 LYS HBy 1.0 . 5.50 866 809 A 11 LYS HBx A 11 LYS HEx 1.0 . 5.50 867 809 A 11 LYS HBx A 11 LYS HEy 1.0 . 5.50 868 810 A 11 LYS HBx A 12 GLU H 1.0 . 4.39 869 811 A 39 GLN HBy A 39 GLN HGx 1.0 . 2.87 870 811 A 39 GLN HBy A 39 GLN HGy 1.0 . 2.87 871 812 A 39 GLN H A 39 GLN HGx 1.0 . 4.25 872 812 A 39 GLN H A 39 GLN HGy 1.0 . 4.25 873 813 A 70 LYS HBy A 68 GLU HGx 1.0 . 5.31 874 813 A 70 LYS HBy A 68 GLU HGy 1.0 . 5.31 875 814 A 71 ILE H A 70 LYS HBy 1.0 . 4.64 876 815 A 70 LYS HBy A 65 THR H 1.0 . 4.70 877 816 A 70 LYS HBy A 70 LYS HEy 1.0 . 5.21 878 817 A 72 LEU HD2% A 70 LYS HBy 1.0 . 4.91 879 818 A 71 ILE H A 70 LYS HBx 1.0 . 4.57 880 819 A 70 LYS HBx A 65 THR H 1.0 . 4.85 881 820 A 70 LYS HBx A 68 GLU HGx 1.0 . 4.32 882 820 A 70 LYS HBx A 68 GLU HGy 1.0 . 4.32 883 821 A 72 LEU HD2% A 70 LYS HBx 1.0 . 4.87 884 822 A 70 LYS HBx A 70 LYS HEx 1.0 . 4.87 885 823 A 41 GLN H A 41 GLN HGy 1.0 . 5.50 886 824 A 30 TYR H A 27 PRO HBy 1.0 . 5.50 887 825 A 27 PRO HBy A 29 MET HGx 1.0 . 5.02 888 826 A 30 TYR H A 27 PRO HBx 1.0 . 4.79 889 827 A 39 GLN H A 38 LYS HBx 1.0 . 4.49 890 827 A 39 GLN H A 38 LYS HBy 1.0 . 4.49 891 828 A 38 LYS H A 38 LYS HBx 1.0 . 3.96 892 828 A 38 LYS H A 38 LYS HBy 1.0 . 3.96 893 829 A 12 GLU H A 12 GLU HBx 1.0 . 4.15 894 830 A 27 PRO HBy A 29 MET HBx 1.0 . 5.38 895 831 A 29 MET H A 27 PRO HBy 1.0 . 4.30 896 832 A 20 PHE HZ A 27 PRO HBy 1.0 . 5.50 897 833 A 29 MET H A 27 PRO HBx 1.0 . 4.29 898 834 A 38 LYS HBx A 38 LYS HEx 1.0 . 5.50 899 834 A 38 LYS HEy A 38 LYS HBx 1.0 . 5.50 900 834 A 38 LYS HEy A 38 LYS HBy 1.0 . 5.50 901 834 A 38 LYS HBy A 38 LYS HEx 1.0 . 5.50 902 835 A 7 GLN HA A 7 GLN HGy 1.0 . 4.02 903 836 A 7 GLN H A 7 GLN HGx 1.0 . 4.36 904 837 A 8 TYR H A 7 GLN HGx 1.0 . 4.54 905 838 A 8 TYR HE% A 7 GLN HGx 1.0 . 5.05 906 839 A 8 TYR HA A 7 GLN HGx 1.0 . 5.50 907 840 A 75 TYR HE% A 46 PRO HBy 1.0 . 5.50 908 841 A 46 PRO HBy A 47 ALA H 1.0 . 4.22 909 842 A 54 TRP HZ2 A 46 PRO HBy 1.0 . 5.02 910 843 A 73 LYS HEy A 46 PRO HBy 1.0 . 4.51 911 844 A 73 LYS HEy A 46 PRO HBx 1.0 . 4.50 912 845 A 46 PRO HBx A 5 ILE HD1% 1.0 . 4.97 913 846 A 47 ALA H A 46 PRO HBx 1.0 . 3.99 914 847 A 46 PRO HBx A 47 ALA HB% 1.0 . 5.50 915 848 A 29 MET H A 29 MET HBy 1.0 . 3.66 916 849 A 30 TYR H A 29 MET HBy 1.0 . 4.89 917 850 A 36 ASN HD2x A 33 PRO HBy 1.0 . 5.50 918 851 A 36 ASN HBy A 33 PRO HBy 1.0 . 5.28 919 852 A 34 GLU H A 33 PRO HBy 1.0 . 4.44 920 853 A 34 GLU H A 33 PRO HBx 1.0 . 4.04 921 854 A 48 PRO HBy A 54 TRP HD1 1.0 . 5.41 922 855 A 49 ASP H A 48 PRO HBy 1.0 . 4.54 923 856 A 54 TRP HE1 A 48 PRO HBy 1.0 . 5.50 924 857 A 63 LEU HD2% A 48 PRO HBy 1.0 . 5.50 925 858 A 65 THR HG2% A 68 GLU HBy 1.0 . 5.50 926 859 A 48 PRO HBy A 47 ALA HB% 1.0 . 5.50 927 860 A 54 TRP HBy A 45 LEU HD2% 1.0 . 5.16 928 861 A 54 TRP HBx A 55 THR H 1.0 . 3.77 929 862 A 54 TRP HBx A 37 ILE HD1% 1.0 . 5.38 930 863 A 54 TRP HBx A 37 ILE HB 1.0 . 3.96 931 864 A 54 TRP HBx A 45 LEU HD2% 1.0 . 4.74 932 865 A 70 LYS H A 68 GLU HBy 1.0 . 4.20 933 866 A 70 LYS HBx A 68 GLU HBy 1.0 . 4.71 934 867 A 25 THR HG2% A 68 GLU HBy 1.0 . 4.60 935 868 A 25 THR HG2% A 68 GLU HBx 1.0 . 4.71 936 869 A 83 ARG HBx A 83 ARG HGx 1.0 . 2.68 937 869 A 83 ARG HBx A 83 ARG HGy 1.0 . 2.68 938 870 A 21 HIS HBy A 20 PHE HA 1.0 . 5.50 939 871 A 21 HIS HBy A 12 GLU HBy 1.0 . 4.60 940 872 A 21 HIS HBy A 22 ILE HG12 1.0 . 5.26 941 872 A 21 HIS HBy A 22 ILE HG13 1.0 . 5.26 942 873 A 21 HIS HBx A 22 ILE HG12 1.0 . 5.50 943 873 A 21 HIS HBx A 22 ILE HG13 1.0 . 5.50 944 874 A 22 ILE H A 21 HIS HBy 1.0 . 3.49 945 875 A 21 HIS HBx A 20 PHE HA 1.0 . 5.09 946 876 A 22 ILE H A 21 HIS HBx 1.0 . 3.78 947 877 A 21 HIS HBx A 12 GLU HBy 1.0 . 5.18 948 878 A 30 TYR HBx A 26 VAL HB 1.0 . 4.05 949 879 A 63 LEU HD1% A 53 HIS HBy 1.0 . 5.50 950 880 A 30 TYR H A 29 MET HGy 1.0 . 4.46 951 881 A 27 PRO HBy A 29 MET HGy 1.0 . 4.91 952 882 A 27 PRO HGy A 29 MET HGy 1.0 . 5.50 953 883 A 57 MET HGy A 62 VAL HG1% 1.0 . 4.41 954 884 A 57 MET HGx A 57 MET HBy 1.0 . 2.95 955 885 A 29 MET HA A 29 MET HGx 1.0 . 4.16 956 886 A 29 MET HBx A 29 MET HGx 1.0 . 2.83 957 887 A 54 TRP H A 53 HIS HBx 1.0 . 3.90 958 888 A 58 GLY H A 57 MET HGy 1.0 . 5.50 959 889 A 57 MET HGy A 62 VAL HG2% 1.0 . 4.92 960 890 A 57 MET HGx A 62 VAL HG1% 1.0 . 4.08 961 891 A 18 THR HB A 19 GLN H 1.0 . 4.20 962 892 A 18 THR HB A 18 THR H 1.0 . 3.16 963 893 A 20 PHE HZ A 18 THR HB 1.0 . 4.16 964 894 A 18 THR HB A 20 PHE HD% 1.0 . 4.98 965 895 A 18 THR HB A 15 ALA HB% 1.0 . 5.47 966 896 A 18 THR HB A 16 ASP HBx 1.0 . 4.93 967 897 A 18 THR HB A 14 THR HG2% 1.0 . 5.50 968 898 A 20 PHE H A 19 GLN HBy 1.0 . 4.42 969 899 A 14 THR HB A 18 THR H 1.0 . 5.25 970 900 A 19 GLN HBy A 19 GLN HE2y 1.0 . 5.17 971 901 A 19 GLN HBy A 21 HIS HE1 1.0 . 5.02 972 902 A 14 THR HA A 19 GLN HBy 1.0 . 5.26 973 903 A 19 GLN HBy A 19 GLN HGy 1.0 . 2.83 974 903 A 19 GLN HGx A 19 GLN HBy 1.0 . 2.83 975 904 A 18 THR HA A 19 GLN HBx 1.0 . 5.04 976 905 A 20 PHE H A 19 GLN HBx 1.0 . 4.31 977 906 A 19 GLN H A 19 GLN HBx 1.0 . 3.37 978 907 A 14 THR HB A 13 PHE HBx 1.0 . 5.18 979 908 A 19 GLN HA A 14 THR HB 1.0 . 5.25 980 909 A 82 HIS HBy A 79 ILE HG1y 1.0 . 5.32 981 910 A 82 HIS HBy A 44 ASN HD2y 1.0 . 5.09 982 911 A 82 HIS HBy A 44 ASN HD2x 1.0 . 4.20 983 912 A 82 HIS HBy A 79 ILE HG2% 1.0 . 5.50 984 913 A 8 TYR HE% A 82 HIS HBx 1.0 . 4.28 985 914 A 5 ILE HG2% A 82 HIS HBx 1.0 . 5.50 986 915 A 54 TRP HZ2 A 73 LYS HDy 1.0 . 5.43 987 916 A 54 TRP HH2 A 73 LYS HDy 1.0 . 4.73 988 917 A 63 LEU HD2% A 73 LYS HDy 1.0 . 4.70 989 918 A 74 VAL H A 73 LYS HDy 1.0 . 5.50 990 919 A 75 TYR HE% A 73 LYS HDy 1.0 . 4.41 991 920 A 18 THR HA A 19 GLN HBy 1.0 . 4.88 992 921 A 54 TRP HZ2 A 73 LYS HDx 1.0 . 5.11 993 922 A 54 TRP HH2 A 73 LYS HDx 1.0 . 4.79 994 923 A 75 TYR HE% A 73 LYS HDx 1.0 . 4.79 995 924 A 63 LEU HD2% A 73 LYS HDx 1.0 . 4.31 996 925 A 14 THR HB A 15 ALA HB% 1.0 . 5.50 997 926 A 81 TYR HD% A 78 GLU HBx 1.0 . 5.07 998 926 A 78 GLU HBy A 81 TYR HD% 1.0 . 5.07 999 927 A 79 ILE HG2% A 78 GLU HBx 1.0 . 5.50 1000 927 A 78 GLU HBy A 79 ILE HG2% 1.0 . 5.50 1001 928 A 8 TYR HA A 78 GLU HBx 1.0 . 5.25 1002 928 A 78 GLU HBy A 8 TYR HA 1.0 . 5.25 1003 929 A 70 LYS H A 70 LYS HDx 1.0 . 5.24 1004 929 A 70 LYS H A 70 LYS HDy 1.0 . 5.24 1005 930 A 25 THR HB A 25 THR H 1.0 . 3.24 1006 931 A 25 THR HB A 26 VAL H 1.0 . 3.37 1007 932 A 25 THR HB A 26 VAL HG1% 1.0 . 5.36 1008 933 A 80 PHE H A 78 GLU HBx 1.0 . 5.17 1009 933 A 80 PHE H A 78 GLU HBy 1.0 . 5.17 1010 934 A 71 ILE H A 70 LYS HDx 1.0 . 4.84 1011 934 A 71 ILE H A 70 LYS HDy 1.0 . 4.84 1012 935 A 72 LEU HD2% A 70 LYS HDx 1.0 . 4.51 1013 935 A 72 LEU HD2% A 70 LYS HDy 1.0 . 4.51 1014 936 A 38 LYS H A 38 LYS HDx 1.0 . 4.77 1015 936 A 38 LYS H A 38 LYS HDy 1.0 . 4.77 1016 937 A 38 LYS HGy A 38 LYS HDx 1.0 . 2.60 1017 937 A 38 LYS HDy A 38 LYS HGy 1.0 . 2.60 1018 938 A 11 LYS H A 11 LYS HDy 1.0 . 4.88 1019 939 A 34 GLU HBy A 35 TYR H 1.0 . 4.06 1020 940 A 36 ASN HD2y A 38 LYS HDx 1.0 . 5.50 1021 940 A 36 ASN HD2y A 38 LYS HDy 1.0 . 5.50 1022 941 A 36 ASN HD2x A 38 LYS HDx 1.0 . 5.50 1023 941 A 36 ASN HD2x A 38 LYS HDy 1.0 . 5.50 1024 942 A 34 GLU H A 34 GLU HBx 1.0 . 3.59 1025 943 A 35 TYR H A 34 GLU HBx 1.0 . 3.94 1026 944 A 45 LEU HD2% A 43 ARG HBy 1.0 . 4.80 1027 945 A 43 ARG HBx A 45 LEU HD2% 1.0 . 5.04 1028 946 A 43 ARG HBx A 45 LEU HG 1.0 . 4.94 1029 947 A 79 ILE H A 79 ILE HG1y 1.0 . 5.03 1030 948 A 79 ILE HG2% A 79 ILE HG1y 1.0 . 4.12 1031 949 A 8 TYR HD% A 79 ILE HG1x 1.0 . 5.03 1032 950 A 40 TRP HBy A 54 TRP HD1 1.0 . 4.97 1033 951 A 40 TRP HBy A 37 ILE HG2% 1.0 . 5.26 1034 952 A 40 TRP HBy A 45 LEU HD2% 1.0 . 4.78 1035 953 A 54 TRP HD1 A 40 TRP HBx 1.0 . 4.94 1036 954 A 45 LEU HBy A 40 TRP HBx 1.0 . 4.42 1037 955 A 45 LEU HBx A 40 TRP HBx 1.0 . 5.08 1038 956 A 54 TRP HE1 A 40 TRP HBx 1.0 . 5.50 1039 957 A 45 LEU HD2% A 40 TRP HBx 1.0 . 4.65 1040 958 A 42 GLN HBy A 43 ARG HGx 1.0 . 5.50 1041 959 A 42 GLN H A 42 GLN HBy 1.0 . 3.59 1042 960 A 8 TYR H A 7 GLN HBy 1.0 . 4.72 1043 961 A 71 ILE HG1y A 26 VAL HA 1.0 . 4.67 1044 962 A 25 THR HA A 71 ILE HG1y 1.0 . 5.26 1045 963 A 8 TYR H A 7 GLN HBx 1.0 . 4.56 1046 964 A 7 GLN HE2y A 7 GLN HBx 1.0 . 4.71 1047 965 A 6 ASP H A 7 GLN HBx 1.0 . 5.50 1048 966 A 7 GLN H A 7 GLN HBx 1.0 . 3.50 1049 967 A 72 LEU H A 71 ILE HG1x 1.0 . 5.38 1050 968 A 20 PHE HE% A 27 PRO HGy 1.0 . 5.50 1051 969 A 27 PRO HGx A 30 TYR HE% 1.0 . 4.32 1052 969 A 27 PRO HGx A 30 TYR HD% 1.0 . 4.32 1053 970 A 20 PHE HD% A 71 ILE HG1y 1.0 . 5.50 1054 971 A 72 LEU H A 71 ILE HG1y 1.0 . 5.36 1055 972 A 71 ILE H A 71 ILE HG1y 1.0 . 3.56 1056 973 A 24 ASP H A 71 ILE HG1y 1.0 . 5.50 1057 974 A 71 ILE HG2% A 71 ILE HG1y 1.0 . 3.52 1058 975 A 5 ILE HA A 7 GLN HBx 1.0 . 5.47 1059 976 A 8 TYR HE% A 7 GLN HBx 1.0 . 5.43 1060 977 A 71 ILE HG2% A 71 ILE HG1x 1.0 . 3.43 1061 978 A 34 GLU H A 33 PRO HGy 1.0 . 4.79 1062 979 A 23 GLY H A 22 ILE HG12 1.0 . 4.80 1063 979 A 23 GLY H A 22 ILE HG13 1.0 . 4.80 1064 980 A 22 ILE H A 22 ILE HG12 1.0 . 3.15 1065 980 A 22 ILE H A 22 ILE HG13 1.0 . 3.15 1066 981 A 32 THR H A 31 LEU HG 1.0 . 5.27 1067 982 A 31 LEU HG A 31 LEU HBx 1.0 . 2.71 1068 982 A 31 LEU HBy A 31 LEU HG 1.0 . 2.71 1069 983 A 5 ILE HG2% A 46 PRO HGy 1.0 . 5.50 1070 984 A 54 TRP HE1 A 46 PRO HGy 1.0 . 5.47 1071 985 A 54 TRP HZ2 A 46 PRO HGy 1.0 . 3.69 1072 986 A 73 LYS HEy A 46 PRO HGy 1.0 . 3.49 1073 987 A 5 ILE HD1% A 46 PRO HGy 1.0 . 4.03 1074 988 A 45 LEU HBx A 46 PRO HGy 1.0 . 5.19 1075 989 A 47 ALA H A 46 PRO HGy 1.0 . 5.07 1076 990 A 79 ILE HD1% A 46 PRO HGy 1.0 . 5.50 1077 991 A 64 ILE H A 52 SER HBx 1.0 . 5.14 1078 992 A 52 SER HBx A 72 LEU HD1% 1.0 . 3.70 1079 993 A 83 ARG HBy A 83 ARG HGx 1.0 . 2.59 1080 993 A 83 ARG HBy A 83 ARG HGy 1.0 . 2.59 1081 994 A 43 ARG H A 43 ARG HGy 1.0 . 4.89 1082 995 A 37 ILE HG2% A 43 ARG HGy 1.0 . 5.50 1083 996 A 80 PHE HD% A 43 ARG HGy 1.0 . 5.42 1084 997 A 42 GLN HBx A 43 ARG HGx 1.0 . 4.79 1085 998 A 43 ARG H A 43 ARG HGx 1.0 . 5.06 1086 999 A 80 PHE HD% A 43 ARG HGx 1.0 . 5.50 1087 1000 A 37 ILE HG2% A 43 ARG HGx 1.0 . 5.50 1088 1001 A 42 GLN H A 41 GLN HBy 1.0 . 4.44 1089 1002 A 41 GLN H A 41 GLN HBy 1.0 . 4.18 1090 1003 A 42 GLN H A 41 GLN HBx 1.0 . 5.13 1091 1004 A 40 TRP HE1 A 48 PRO HGy 1.0 . 5.50 1092 1005 A 54 TRP HD1 A 48 PRO HGy 1.0 . 5.50 1093 1006 A 54 TRP HE1 A 48 PRO HGy 1.0 . 5.50 1094 1007 A 11 LYS H A 10 LEU HG 1.0 . 5.50 1095 1008 A 76 ASP H A 10 LEU HG 1.0 . 4.39 1096 1009 A 10 LEU HG A 74 VAL HG1% 1.0 . 5.05 1097 1010 A 40 TRP HE1 A 48 PRO HGx 1.0 . 5.50 1098 1011 A 54 TRP HD1 A 48 PRO HGx 1.0 . 5.27 1099 1012 A 63 LEU HD1% A 48 PRO HGx 1.0 . 5.50 1100 1013 A 63 LEU HD2% A 54 TRP HE1 1.0 . 4.93 1101 1014 A 63 LEU H A 63 LEU HD2% 1.0 . 4.70 1102 1015 A 63 LEU HD2% A 54 TRP HH2 1.0 . 5.13 1103 1016 A 63 LEU HD2% A 49 ASP H 1.0 . 3.78 1104 1017 A 63 LEU HD2% A 73 LYS HBx 1.0 . 3.48 1105 1018 A 63 LEU HD2% A 72 LEU HBx 1.0 . 3.34 1106 1018 A 72 LEU HBy A 63 LEU HD2% 1.0 . 3.34 1107 1019 A 63 LEU HBy A 63 LEU HD2% 1.0 . 3.38 1108 1020 A 63 LEU HBx A 63 LEU HD2% 1.0 . 3.59 1109 1021 A 37 ILE H A 37 ILE HG1y 1.0 . 4.52 1110 1022 A 61 TYR HE% A 37 ILE HG1y 1.0 . 5.50 1111 1023 A 54 TRP HBx A 37 ILE HG1y 1.0 . 5.50 1112 1024 A 56 TYR H A 37 ILE HG1y 1.0 . 5.45 1113 1025 A 61 TYR HD% A 37 ILE HG1y 1.0 . 5.33 1114 1026 A 37 ILE H A 37 ILE HG1x 1.0 . 4.50 1115 1027 A 56 TYR H A 37 ILE HG1x 1.0 . 5.20 1116 1028 A 64 ILE H A 63 LEU HD2% 1.0 . 4.92 1117 1029 A 63 LEU HD2% A 52 SER HBx 1.0 . 4.52 1118 1030 A 63 LEU HD2% A 72 LEU HD1% 1.0 . 2.98 1119 1031 A 72 LEU HG A 73 LYS H 1.0 . 4.86 1120 1032 A 5 ILE HG1y A 6 ASP HBy 1.0 . 5.50 1121 1033 A 63 LEU HG A 65 THR H 1.0 . 5.50 1122 1034 A 49 ASP H A 63 LEU HG 1.0 . 5.50 1123 1035 A 72 LEU HG A 63 LEU HD2% 1.0 . 5.50 1124 1036 A 5 ILE HG1y A 75 TYR HE% 1.0 . 4.80 1125 1037 A 52 SER HBx A 63 LEU HG 1.0 . 4.53 1126 1038 A 63 LEU HG A 72 LEU HBx 1.0 . 3.00 1127 1038 A 72 LEU HBy A 63 LEU HG 1.0 . 3.00 1128 1039 A 72 LEU H A 63 LEU HG 1.0 . 4.41 1129 1040 A 63 LEU HG A 73 LYS H 1.0 . 5.05 1130 1041 A 72 LEU HG A 63 LEU HG 1.0 . 3.16 1131 1042 A 40 TRP H A 39 GLN HBy 1.0 . 4.85 1132 1043 A 5 ILE HG1x A 75 TYR HE% 1.0 . 5.08 1133 1044 A 6 ASP HBx A 5 ILE HG1x 1.0 . 5.50 1134 1045 A 75 TYR H A 10 LEU HD1% 1.0 . 5.50 1135 1046 A 76 ASP H A 10 LEU HD1% 1.0 . 4.13 1136 1047 A 11 LYS H A 10 LEU HD1% 1.0 . 5.10 1137 1048 A 14 THR H A 10 LEU HD1% 1.0 . 5.50 1138 1049 A 10 LEU H A 10 LEU HD1% 1.0 . 4.10 1139 1050 A 12 GLU H A 10 LEU HD1% 1.0 . 4.70 1140 1051 A 60 ASN HD2y A 10 LEU HD1% 1.0 . 4.63 1141 1052 A 13 PHE HD% A 10 LEU HD1% 1.0 . 5.11 1142 1053 A 60 ASN HD2x A 10 LEU HD1% 1.0 . 5.23 1143 1054 A 10 LEU HA A 10 LEU HD1% 1.0 . 3.86 1144 1055 A 9 ALA HA A 10 LEU HD1% 1.0 . 5.50 1145 1056 A 13 PHE HBy A 10 LEU HD1% 1.0 . 3.89 1146 1057 A 76 ASP HBx A 10 LEU HD1% 1.0 . 3.62 1147 1058 A 10 LEU HBy A 10 LEU HD1% 1.0 . 3.35 1148 1059 A 10 LEU HBx A 10 LEU HD1% 1.0 . 3.31 1149 1060 A 42 GLN H A 39 GLN HBy 1.0 . 5.42 1150 1061 A 73 LYS HGy A 54 TRP HH2 1.0 . 5.27 1151 1062 A 73 LYS HGy A 73 LYS H 1.0 . 4.76 1152 1063 A 73 LYS HGx A 73 LYS H 1.0 . 4.62 1153 1064 A 73 LYS HGx A 54 TRP HH2 1.0 . 5.10 1154 1065 A 63 LEU HD2% A 73 LYS HGx 1.0 . 4.46 1155 1066 A 74 VAL HG2% A 10 LEU HD1% 1.0 . 5.12 1156 1067 A 63 LEU HBx A 73 LYS HGx 1.0 . 5.50 1157 1068 A 38 LYS H A 38 LYS HGy 1.0 . 4.36 1158 1069 A 36 ASN HD2x A 38 LYS HGy 1.0 . 5.50 1159 1070 A 38 LYS H A 38 LYS HGx 1.0 . 4.31 1160 1071 A 38 LYS HGx A 38 LYS HEx 1.0 . 3.93 1161 1071 A 38 LYS HGx A 38 LYS HEy 1.0 . 3.93 1162 1072 A 38 LYS HGy A 38 LYS HEx 1.0 . 4.23 1163 1072 A 38 LYS HEy A 38 LYS HGy 1.0 . 4.23 1164 1073 A 72 LEU HD2% A 70 LYS HGx 1.0 . 4.78 1165 1074 A 45 LEU H A 45 LEU HG 1.0 . 3.86 1166 1075 A 75 TYR HBy A 45 LEU HG 1.0 . 5.50 1167 1076 A 11 LYS HGy A 11 LYS HEx 1.0 . 4.22 1168 1076 A 11 LYS HEy A 11 LYS HGy 1.0 . 4.22 1169 1077 A 11 LYS HDy A 11 LYS HGy 1.0 . 2.75 1170 1078 A 11 LYS H A 11 LYS HGy 1.0 . 4.30 1171 1079 A 12 GLU H A 11 LYS HGy 1.0 . 5.36 1172 1080 A 10 LEU HA A 11 LYS HGy 1.0 . 5.42 1173 1081 A 11 LYS HA A 11 LYS HGy 1.0 . 3.93 1174 1082 A 11 LYS H A 11 LYS HGx 1.0 . 4.23 1175 1083 A 12 GLU H A 11 LYS HGx 1.0 . 5.33 1176 1084 A 70 LYS H A 70 LYS HGy 1.0 . 5.05 1177 1085 A 71 ILE H A 70 LYS HGy 1.0 . 4.18 1178 1086 A 25 THR HA A 70 LYS HGy 1.0 . 5.41 1179 1087 A 68 GLU HBy A 70 LYS HGx 1.0 . 5.50 1180 1088 A 70 LYS H A 70 LYS HGx 1.0 . 5.02 1181 1089 A 25 THR HA A 70 LYS HGx 1.0 . 5.50 1182 1090 A 29 MET H A 31 LEU HD1% 1.0 . 4.84 1183 1091 A 28 ALA H A 31 LEU HD1% 1.0 . 5.42 1184 1092 A 31 LEU H A 31 LEU HD1% 1.0 . 3.96 1185 1093 A 28 ALA HA A 31 LEU HD1% 1.0 . 3.16 1186 1094 A 30 TYR HBx A 31 LEU HD1% 1.0 . 5.50 1187 1095 A 31 LEU HD1% A 31 LEU HBx 1.0 . 2.90 1188 1095 A 31 LEU HBy A 31 LEU HD1% 1.0 . 2.90 1189 1096 A 31 LEU HD1% A 28 ALA HB% 1.0 . 3.84 1190 1097 A 26 VAL HG2% A 31 LEU HD1% 1.0 . 4.30 1191 1098 A 64 ILE HD1% A 31 LEU HD1% 1.0 . 4.30 1192 1099 A 49 ASP HBx A 72 LEU HD1% 1.0 . 4.25 1193 1100 A 63 LEU HBx A 72 LEU HD1% 1.0 . 5.50 1194 1101 A 72 LEU H A 72 LEU HD1% 1.0 . 4.30 1195 1102 A 72 LEU HD1% A 53 HIS H 1.0 . 5.50 1196 1103 A 52 SER H A 72 LEU HD1% 1.0 . 5.41 1197 1104 A 72 LEU HD1% A 73 LYS H 1.0 . 4.89 1198 1105 A 72 LEU HD1% A 72 LEU HBx 1.0 . 2.72 1199 1105 A 72 LEU HBy A 72 LEU HD1% 1.0 . 2.72 1200 1106 A 63 LEU HD1% A 72 LEU HD1% 1.0 . 4.38 1201 1107 A 11 LYS HGx A 22 ILE HD1% 1.0 . 5.43 1202 1108 A 49 ASP H A 72 LEU HD1% 1.0 . 5.09 1203 1109 A 49 ASP HBy A 72 LEU HD1% 1.0 . 4.66 1204 1110 A 64 ILE H A 64 ILE HG1y 1.0 . 4.00 1205 1111 A 64 ILE H A 64 ILE HG1x 1.0 . 3.79 1206 1112 A 64 ILE HG1x A 69 GLY HAy 1.0 . 5.50 1207 1113 A 64 ILE HG1x A 53 HIS H 1.0 . 5.13 1208 1114 A 31 LEU HD2% A 69 GLY H 1.0 . 3.77 1209 1115 A 31 LEU HD2% A 31 LEU H 1.0 . 4.04 1210 1116 A 31 LEU HD2% A 32 THR H 1.0 . 5.01 1211 1117 A 31 LEU HD2% A 69 GLY HAx 1.0 . 3.28 1212 1118 A 31 LEU HD2% A 31 LEU HBx 1.0 . 3.11 1213 1118 A 31 LEU HD2% A 31 LEU HBy 1.0 . 3.11 1214 1119 A 31 LEU HD2% A 64 ILE HB 1.0 . 3.54 1215 1120 A 31 LEU HD2% A 26 VAL HG1% 1.0 . 3.24 1216 1121 A 52 SER HBx A 65 THR HG2% 1.0 . 4.48 1217 1122 A 72 LEU H A 65 THR HG2% 1.0 . 5.24 1218 1123 A 66 ASP H A 65 THR HG2% 1.0 . 4.14 1219 1124 A 65 THR HG2% A 65 THR H 1.0 . 3.11 1220 1125 A 70 LYS H A 65 THR HG2% 1.0 . 3.81 1221 1126 A 72 LEU HD1% A 65 THR HG2% 1.0 . 3.01 1222 1127 A 63 LEU HD1% A 65 THR HG2% 1.0 . 5.50 1223 1128 A 76 ASP H A 10 LEU HD2% 1.0 . 4.47 1224 1129 A 11 LYS H A 10 LEU HD2% 1.0 . 3.81 1225 1130 A 10 LEU H A 10 LEU HD2% 1.0 . 4.16 1226 1131 A 12 GLU H A 10 LEU HD2% 1.0 . 4.18 1227 1132 A 10 LEU HA A 10 LEU HD2% 1.0 . 2.89 1228 1133 A 76 ASP HBx A 10 LEU HD2% 1.0 . 3.81 1229 1134 A 10 LEU HBy A 10 LEU HD2% 1.0 . 3.19 1230 1135 A 74 VAL HG1% A 10 LEU HD2% 1.0 . 5.50 1231 1136 A 55 THR H A 62 VAL HG1% 1.0 . 5.50 1232 1137 A 62 VAL H A 62 VAL HG1% 1.0 . 4.47 1233 1138 A 63 LEU H A 62 VAL HG1% 1.0 . 3.62 1234 1139 A 26 VAL HG2% A 30 TYR HBy 1.0 . 4.89 1235 1140 A 26 VAL HG2% A 26 VAL H 1.0 . 3.39 1236 1141 A 26 VAL HG2% A 26 VAL HA 1.0 . 3.32 1237 1142 A 26 VAL HG2% A 30 TYR HBx 1.0 . 4.67 1238 1143 A 26 VAL HG2% A 71 ILE HG1y 1.0 . 3.75 1239 1144 A 26 VAL HG2% A 25 THR HG2% 1.0 . 4.62 1240 1145 A 54 TRP HE1 A 45 LEU HD2% 1.0 . 5.50 1241 1146 A 45 LEU HD2% A 54 TRP HE3 1.0 . 4.87 1242 1147 A 45 LEU H A 45 LEU HD2% 1.0 . 4.61 1243 1148 A 61 TYR HBy A 45 LEU HD2% 1.0 . 3.48 1244 1149 A 61 TYR HBx A 45 LEU HD2% 1.0 . 4.73 1245 1150 A 45 LEU HD2% A 37 ILE HB 1.0 . 5.36 1246 1151 A 45 LEU HD2% A 45 LEU HBy 1.0 . 3.38 1247 1152 A 45 LEU HD2% A 45 LEU HBx 1.0 . 3.68 1248 1153 A 67 THR H A 67 THR HG2% 1.0 . 3.61 1249 1154 A 67 THR HG2% A 68 GLU H 1.0 . 4.64 1250 1155 A 66 ASP HBy A 67 THR HG2% 1.0 . 4.61 1251 1156 A 66 ASP HBx A 67 THR HG2% 1.0 . 4.56 1252 1157 A 67 THR HG2% A 65 THR HG2% 1.0 . 2.84 1253 1158 A 72 LEU H A 26 VAL HG2% 1.0 . 5.50 1254 1159 A 26 VAL HG2% A 30 TYR HE% 1.0 . 4.31 1255 1159 A 26 VAL HG2% A 30 TYR HD% 1.0 . 4.31 1256 1160 A 26 VAL HG2% A 20 PHE HD% 1.0 . 4.29 1257 1161 A 26 VAL HG2% A 27 PRO HDy 1.0 . 4.50 1258 1162 A 26 VAL HG2% A 69 GLY HAx 1.0 . 4.63 1259 1163 A 26 VAL HG2% A 27 PRO HDx 1.0 . 4.58 1260 1164 A 74 VAL HG2% A 13 PHE HBy 1.0 . 5.22 1261 1165 A 28 ALA H A 27 PRO HA 1.0 . 2.60 1262 1166 A 30 TYR HE% A 27 PRO HA 1.0 . 4.98 1263 1166 A 30 TYR HD% A 27 PRO HA 1.0 . 4.98 1264 1167 A 28 ALA HA A 27 PRO HA 1.0 . 4.29 1265 1168 A 29 MET H A 27 PRO HA 1.0 . 4.35 1266 1169 A 23 GLY H A 22 ILE HA 1.0 . 2.78 1267 1170 A 22 ILE HA A 21 HIS HA 1.0 . 4.97 1268 1171 A 22 ILE HA A 23 GLY HAx 1.0 . 4.37 1269 1172 A 71 ILE HB A 22 ILE HA 1.0 . 3.46 1270 1173 A 22 ILE HA A 22 ILE HG12 1.0 . 3.71 1271 1173 A 22 ILE HA A 22 ILE HG13 1.0 . 3.71 1272 1174 A 34 GLU H A 32 THR HG2% 1.0 . 4.80 1273 1175 A 31 LEU H A 32 THR HG2% 1.0 . 3.97 1274 1176 A 32 THR H A 32 THR HG2% 1.0 . 3.08 1275 1177 A 35 TYR HE% A 32 THR HG2% 1.0 . 5.32 1276 1178 A 32 THR HG2% A 33 PRO HDx 1.0 . 3.63 1277 1178 A 32 THR HG2% A 33 PRO HDy 1.0 . 3.63 1278 1179 A 34 GLU HBy A 32 THR HG2% 1.0 . 4.18 1279 1180 A 75 TYR H A 74 VAL HG2% 1.0 . 4.26 1280 1181 A 74 VAL H A 74 VAL HG2% 1.0 . 3.65 1281 1182 A 74 VAL HG2% A 73 LYS H 1.0 . 4.71 1282 1183 A 74 VAL HG2% A 13 PHE HE% 1.0 . 3.26 1283 1184 A 22 ILE HA A 74 VAL HG2% 1.0 . 4.80 1284 1185 A 10 LEU H A 74 VAL HG2% 1.0 . 5.39 1285 1186 A 28 ALA HB% A 27 PRO HA 1.0 . 4.06 1286 1187 A 34 GLU HGy A 32 THR HG2% 1.0 . 4.55 1287 1188 A 25 THR HG2% A 68 GLU H 1.0 . 5.50 1288 1189 A 71 ILE H A 25 THR HG2% 1.0 . 4.32 1289 1190 A 25 THR H A 25 THR HG2% 1.0 . 3.79 1290 1191 A 25 THR HG2% A 26 VAL H 1.0 . 3.60 1291 1192 A 25 THR HA A 25 THR HG2% 1.0 . 3.17 1292 1193 A 25 THR HG2% A 68 GLU HGx 1.0 . 4.02 1293 1193 A 25 THR HG2% A 68 GLU HGy 1.0 . 4.02 1294 1194 A 25 THR HG2% A 70 LYS HDx 1.0 . 3.84 1295 1194 A 25 THR HG2% A 70 LYS HDy 1.0 . 3.84 1296 1195 A 25 THR HG2% A 26 VAL HG1% 1.0 . 4.75 1297 1196 A 25 THR HG2% A 24 ASP HBx 1.0 . 5.50 1298 1197 A 5 ILE HA A 7 GLN HGx 1.0 . 4.55 1299 1198 A 5 ILE HA A 4 GLY H 1.0 . 5.32 1300 1199 A 8 TYR HE% A 5 ILE HA 1.0 . 3.72 1301 1200 A 7 GLN HGy A 5 ILE HA 1.0 . 4.44 1302 1201 A 5 ILE HG1x A 5 ILE HA 1.0 . 4.24 1303 1202 A 25 THR HG2% A 31 LEU HD2% 1.0 . 5.50 1304 1203 A 71 ILE H A 72 LEU HD2% 1.0 . 5.40 1305 1204 A 72 LEU HD2% A 73 LYS H 1.0 . 4.66 1306 1205 A 72 LEU HD2% A 49 ASP HBy 1.0 . 5.50 1307 1206 A 75 TYR H A 74 VAL HG1% 1.0 . 3.45 1308 1207 A 76 ASP H A 74 VAL HG1% 1.0 . 5.24 1309 1208 A 61 TYR H A 74 VAL HG1% 1.0 . 4.57 1310 1209 A 74 VAL H A 74 VAL HG1% 1.0 . 4.29 1311 1210 A 10 LEU H A 74 VAL HG1% 1.0 . 4.25 1312 1211 A 60 ASN HD2y A 74 VAL HG1% 1.0 . 5.31 1313 1212 A 60 ASN HD2x A 74 VAL HG1% 1.0 . 5.17 1314 1213 A 74 VAL HG1% A 10 LEU HA 1.0 . 5.22 1315 1214 A 13 PHE HBy A 74 VAL HG1% 1.0 . 4.11 1316 1215 A 10 LEU HBy A 74 VAL HG1% 1.0 . 3.63 1317 1216 A 10 LEU HBx A 74 VAL HG1% 1.0 . 3.46 1318 1217 A 74 VAL HG1% A 10 LEU HD1% 1.0 . 3.55 1319 1218 A 12 GLU H A 74 VAL HG1% 1.0 . 5.20 1320 1219 A 72 LEU HD2% A 65 THR H 1.0 . 4.88 1321 1220 A 72 LEU HD2% A 70 LYS H 1.0 . 5.50 1322 1221 A 72 LEU HD2% A 70 LYS HEx 1.0 . 4.45 1323 1222 A 72 LEU HD2% A 72 LEU HBx 1.0 . 2.78 1324 1222 A 72 LEU HBy A 72 LEU HD2% 1.0 . 2.78 1325 1223 A 16 ASP H A 15 ALA HB% 1.0 . 3.75 1326 1224 A 58 GLY H A 15 ALA HB% 1.0 . 4.21 1327 1225 A 15 ALA H A 15 ALA HB% 1.0 . 3.56 1328 1226 A 18 THR H A 15 ALA HB% 1.0 . 5.12 1329 1227 A 15 ALA HB% A 13 PHE HE% 1.0 . 3.21 1330 1228 A 14 THR HA A 15 ALA HB% 1.0 . 4.66 1331 1229 A 58 GLY HAy A 15 ALA HB% 1.0 . 3.61 1332 1230 A 15 ALA HB% A 16 ASP HBx 1.0 . 4.54 1333 1231 A 57 MET HGx A 15 ALA HB% 1.0 . 4.11 1334 1232 A 13 PHE HBx A 15 ALA HB% 1.0 . 5.50 1335 1233 A 75 TYR H A 62 VAL HG2% 1.0 . 4.94 1336 1234 A 62 VAL H A 62 VAL HG2% 1.0 . 3.64 1337 1235 A 61 TYR H A 62 VAL HG2% 1.0 . 4.90 1338 1236 A 63 LEU H A 62 VAL HG2% 1.0 . 4.57 1339 1237 A 57 MET H A 62 VAL HG2% 1.0 . 4.08 1340 1238 A 60 ASN H A 62 VAL HG2% 1.0 . 5.31 1341 1239 A 60 ASN HBy A 62 VAL HG2% 1.0 . 4.22 1342 1240 A 57 MET HBx A 62 VAL HG2% 1.0 . 3.60 1343 1241 A 74 VAL HG2% A 62 VAL HG2% 1.0 . 3.03 1344 1242 A 74 VAL HG1% A 62 VAL HG2% 1.0 . 3.38 1345 1243 A 55 THR H A 55 THR HG2% 1.0 . 3.64 1346 1244 A 62 VAL H A 55 THR HG2% 1.0 . 4.76 1347 1245 A 56 TYR H A 55 THR HG2% 1.0 . 4.01 1348 1246 A 64 ILE H A 55 THR HG2% 1.0 . 5.40 1349 1247 A 30 TYR HE% A 55 THR HG2% 1.0 . 4.74 1350 1247 A 30 TYR HD% A 55 THR HG2% 1.0 . 4.74 1351 1248 A 35 TYR HBx A 55 THR HG2% 1.0 . 4.57 1352 1249 A 64 ILE HG1x A 55 THR HG2% 1.0 . 3.08 1353 1250 A 30 TYR HA A 55 THR HG2% 1.0 . 5.39 1354 1251 A 35 TYR HBy A 55 THR HG2% 1.0 . 4.65 1355 1252 A 30 TYR HBy A 55 THR HG2% 1.0 . 4.04 1356 1253 A 62 VAL HG1% A 55 THR HG2% 1.0 . 4.19 1357 1254 A 30 TYR HBx A 55 THR HG2% 1.0 . 5.27 1358 1255 A 19 GLN HBy A 14 THR HG2% 1.0 . 4.55 1359 1256 A 16 ASP H A 14 THR HG2% 1.0 . 5.04 1360 1257 A 15 ALA H A 14 THR HG2% 1.0 . 3.43 1361 1258 A 14 THR H A 14 THR HG2% 1.0 . 4.25 1362 1259 A 17 PHE H A 14 THR HG2% 1.0 . 3.73 1363 1260 A 19 GLN H A 14 THR HG2% 1.0 . 5.05 1364 1261 A 18 THR H A 14 THR HG2% 1.0 . 3.63 1365 1262 A 19 GLN HE2y A 14 THR HG2% 1.0 . 5.23 1366 1263 A 19 GLN HE2x A 14 THR HG2% 1.0 . 5.01 1367 1264 A 20 PHE HD% A 14 THR HG2% 1.0 . 5.50 1368 1265 A 14 THR HA A 14 THR HG2% 1.0 . 3.30 1369 1266 A 19 GLN HA A 14 THR HG2% 1.0 . 4.14 1370 1267 A 14 THR HG2% A 19 GLN HGy 1.0 . 4.54 1371 1267 A 19 GLN HGx A 14 THR HG2% 1.0 . 4.54 1372 1268 A 15 ALA HB% A 14 THR HG2% 1.0 . 4.42 1373 1269 A 45 LEU HD1% A 75 TYR H 1.0 . 5.28 1374 1270 A 45 LEU HD1% A 61 TYR H 1.0 . 5.39 1375 1271 A 45 LEU HD1% A 54 TRP HE3 1.0 . 5.24 1376 1272 A 45 LEU HD1% A 75 TYR HBy 1.0 . 3.32 1377 1273 A 45 LEU HD1% A 61 TYR HBx 1.0 . 3.72 1378 1274 A 45 LEU HD1% A 75 TYR HBx 1.0 . 4.06 1379 1275 A 45 LEU HD1% A 46 PRO HGy 1.0 . 4.95 1380 1276 A 45 LEU HD1% A 45 LEU HBy 1.0 . 4.11 1381 1277 A 45 LEU HD1% A 79 ILE HG2% 1.0 . 3.93 1382 1278 A 45 LEU HD1% A 45 LEU HBx 1.0 . 3.67 1383 1279 A 18 THR HA A 14 THR HG2% 1.0 . 5.18 1384 1280 A 18 THR HA A 19 GLN H 1.0 . 2.66 1385 1281 A 15 ALA H A 18 THR HG2% 1.0 . 5.31 1386 1282 A 19 GLN H A 18 THR HG2% 1.0 . 3.22 1387 1283 A 18 THR HG2% A 18 THR H 1.0 . 4.16 1388 1284 A 19 GLN HA A 18 THR HG2% 1.0 . 4.40 1389 1285 A 18 THR HA A 18 THR HG2% 1.0 . 3.16 1390 1286 A 19 GLN HBy A 18 THR HG2% 1.0 . 5.07 1391 1287 A 63 LEU HD1% A 54 TRP HE1 1.0 . 4.74 1392 1288 A 63 LEU HD1% A 54 TRP H 1.0 . 4.36 1393 1289 A 63 LEU HD1% A 53 HIS H 1.0 . 3.85 1394 1290 A 64 ILE H A 63 LEU HD1% 1.0 . 3.75 1395 1291 A 63 LEU HD1% A 49 ASP H 1.0 . 4.01 1396 1292 A 63 LEU HD1% A 53 HIS HBx 1.0 . 4.35 1397 1293 A 63 LEU HD1% A 52 SER HBx 1.0 . 3.87 1398 1294 A 63 LEU HD1% A 48 PRO HBy 1.0 . 3.78 1399 1295 A 63 LEU HBy A 63 LEU HD1% 1.0 . 4.02 1400 1296 A 40 TRP HE3 A 46 PRO HA 1.0 . 4.56 1401 1297 A 47 ALA H A 46 PRO HA 1.0 . 2.90 1402 1298 A 47 ALA HB% A 46 PRO HA 1.0 . 4.38 1403 1299 A 13 PHE HD% A 14 THR HA 1.0 . 4.81 1404 1300 A 25 THR HA A 69 GLY HAx 1.0 . 5.06 1405 1301 A 71 ILE H A 25 THR HA 1.0 . 3.64 1406 1302 A 25 THR HA A 26 VAL H 1.0 . 2.79 1407 1303 A 3 ALA H A 3 ALA HB% 1.0 . 3.51 1408 1304 A 26 VAL HG2% A 25 THR HA 1.0 . 4.32 1409 1305 A 30 TYR HA A 32 THR HG2% 1.0 . 5.20 1410 1306 A 3 ALA H A 2 ALA HB% 1.0 . 4.49 1411 1307 A 35 TYR HBx A 30 TYR HA 1.0 . 4.09 1412 1308 A 10 LEU H A 9 ALA HB% 1.0 . 3.49 1413 1309 A 8 TYR H A 9 ALA HB% 1.0 . 4.40 1414 1310 A 9 ALA H A 9 ALA HB% 1.0 . 2.86 1415 1311 A 6 ASP HA A 9 ALA HB% 1.0 . 3.62 1416 1312 A 9 ALA HB% A 10 LEU HD2% 1.0 . 5.50 1417 1313 A 64 ILE HD1% A 30 TYR HA 1.0 . 5.48 1418 1314 A 72 LEU H A 64 ILE HG2% 1.0 . 4.08 1419 1315 A 55 THR H A 64 ILE HG2% 1.0 . 5.50 1420 1316 A 71 ILE H A 64 ILE HG2% 1.0 . 4.98 1421 1317 A 64 ILE HG2% A 65 THR H 1.0 . 4.01 1422 1318 A 64 ILE HG2% A 70 LYS H 1.0 . 4.91 1423 1319 A 64 ILE HG2% A 73 LYS H 1.0 . 5.19 1424 1320 A 64 ILE HG2% A 25 THR HA 1.0 . 5.50 1425 1321 A 64 ILE HG2% A 26 VAL HA 1.0 . 4.95 1426 1322 A 64 ILE HG2% A 30 TYR HBy 1.0 . 5.50 1427 1323 A 64 ILE HG2% A 71 ILE HG1y 1.0 . 4.01 1428 1324 A 62 VAL HB A 64 ILE HG2% 1.0 . 4.29 1429 1325 A 64 ILE HG2% A 26 VAL HG1% 1.0 . 3.59 1430 1326 A 63 LEU HD1% A 64 ILE HG2% 1.0 . 5.50 1431 1327 A 63 LEU HBx A 64 ILE HG2% 1.0 . 5.50 1432 1328 A 17 PHE HA A 14 THR HG2% 1.0 . 3.92 1433 1329 A 16 ASP H A 17 PHE HA 1.0 . 5.22 1434 1330 A 20 PHE HD% A 26 VAL HA 1.0 . 4.52 1435 1331 A 27 PRO HDx A 26 VAL HA 1.0 . 3.33 1436 1332 A 26 VAL HA A 27 PRO HDy 1.0 . 3.01 1437 1333 A 27 PRO HGy A 26 VAL HA 1.0 . 4.51 1438 1334 A 26 VAL H A 26 VAL HG1% 1.0 . 3.02 1439 1335 A 26 VAL HG1% A 69 GLY H 1.0 . 5.17 1440 1336 A 31 LEU H A 26 VAL HG1% 1.0 . 4.14 1441 1337 A 25 THR HA A 26 VAL HG1% 1.0 . 4.28 1442 1338 A 26 VAL HG1% A 26 VAL HA 1.0 . 3.89 1443 1339 A 26 VAL HG1% A 69 GLY HAx 1.0 . 3.93 1444 1340 A 30 TYR HBy A 26 VAL HG1% 1.0 . 3.78 1445 1341 A 30 TYR HBx A 26 VAL HG1% 1.0 . 3.45 1446 1342 A 71 ILE HG1y A 26 VAL HG1% 1.0 . 4.28 1447 1343 A 26 VAL HG1% A 31 LEU HG 1.0 . 4.09 1448 1344 A 27 PRO HGx A 26 VAL HA 1.0 . 4.61 1449 1345 A 29 MET H A 28 ALA HB% 1.0 . 3.30 1450 1346 A 28 ALA H A 28 ALA HB% 1.0 . 2.79 1451 1347 A 30 TYR H A 28 ALA HB% 1.0 . 4.67 1452 1348 A 28 ALA HB% A 31 LEU HBx 1.0 . 4.36 1453 1348 A 31 LEU HBy A 28 ALA HB% 1.0 . 4.36 1454 1349 A 71 ILE H A 26 VAL HG1% 1.0 . 5.50 1455 1350 A 72 LEU H A 71 ILE HG2% 1.0 . 3.73 1456 1351 A 71 ILE HG2% A 23 GLY H 1.0 . 3.46 1457 1352 A 24 ASP H A 71 ILE HG2% 1.0 . 4.70 1458 1353 A 71 ILE HG2% A 22 ILE H 1.0 . 4.83 1459 1354 A 71 ILE HG2% A 73 LYS H 1.0 . 3.69 1460 1355 A 71 ILE HG2% A 22 ILE HA 1.0 . 3.17 1461 1356 A 6 ASP HA A 5 ILE HG2% 1.0 . 5.50 1462 1357 A 5 ILE HG2% A 5 ILE HA 1.0 . 3.20 1463 1358 A 5 ILE HG1y A 5 ILE HG2% 1.0 . 3.69 1464 1359 A 5 ILE HG1x A 5 ILE HG2% 1.0 . 3.20 1465 1360 A 5 ILE H A 5 ILE HG2% 1.0 . 3.37 1466 1361 A 29 MET HA A 32 THR H 1.0 . 4.41 1467 1362 A 28 ALA H A 29 MET HA 1.0 . 5.23 1468 1363 A 49 ASP HBy A 50 ALA HB% 1.0 . 4.35 1469 1364 A 51 GLY H A 50 ALA HB% 1.0 . 3.64 1470 1365 A 50 ALA H A 50 ALA HB% 1.0 . 3.00 1471 1366 A 51 GLY HAy A 50 ALA HB% 1.0 . 4.88 1472 1367 A 49 ASP HBx A 50 ALA HB% 1.0 . 4.94 1473 1368 A 72 LEU H A 22 ILE HG2% 1.0 . 5.50 1474 1369 A 22 ILE HG2% A 23 GLY HAx 1.0 . 3.86 1475 1370 A 22 ILE HG2% A 22 ILE HG12 1.0 . 3.07 1476 1370 A 22 ILE HG2% A 22 ILE HG13 1.0 . 3.07 1477 1371 A 22 ILE HG2% A 22 ILE H 1.0 . 3.92 1478 1372 A 22 ILE HG2% A 73 LYS H 1.0 . 5.21 1479 1373 A 22 ILE HG2% A 22 ILE HA 1.0 . 3.16 1480 1374 A 29 MET HA A 29 MET HBy 1.0 . 2.90 1481 1375 A 29 MET HA A 32 THR HG2% 1.0 . 3.22 1482 1376 A 54 TRP HE1 A 47 ALA HB% 1.0 . 5.50 1483 1377 A 40 TRP HE1 A 47 ALA HB% 1.0 . 5.50 1484 1378 A 47 ALA H A 47 ALA HB% 1.0 . 3.44 1485 1379 A 79 ILE HG2% A 61 TYR H 1.0 . 5.50 1486 1380 A 79 ILE H A 79 ILE HG2% 1.0 . 3.38 1487 1381 A 80 PHE H A 79 ILE HG2% 1.0 . 3.66 1488 1382 A 79 ILE HG2% A 75 TYR HE% 1.0 . 5.50 1489 1383 A 79 ILE HG2% A 61 TYR HE% 1.0 . 3.88 1490 1384 A 79 ILE HG2% A 77 GLY HAy 1.0 . 4.10 1491 1385 A 75 TYR HBy A 79 ILE HG2% 1.0 . 3.84 1492 1386 A 61 TYR HBx A 79 ILE HG2% 1.0 . 4.86 1493 1387 A 75 TYR HBx A 79 ILE HG2% 1.0 . 4.45 1494 1388 A 79 ILE HG2% A 79 ILE HD1% 1.0 . 3.62 1495 1389 A 7 GLN HA A 7 GLN HBy 1.0 . 2.88 1496 1390 A 7 GLN HA A 7 GLN HBx 1.0 . 2.82 1497 1391 A 7 GLN HA A 9 ALA HB% 1.0 . 5.50 1498 1392 A 21 HIS H A 20 PHE HA 1.0 . 2.84 1499 1393 A 71 ILE HG2% A 20 PHE HA 1.0 . 5.03 1500 1394 A 18 THR HG2% A 20 PHE HA 1.0 . 5.18 1501 1395 A 37 ILE HG2% A 39 GLN HGx 1.0 . 4.92 1502 1395 A 37 ILE HG2% A 39 GLN HGy 1.0 . 4.92 1503 1396 A 37 ILE HG2% A 37 ILE HG1x 1.0 . 4.14 1504 1397 A 37 ILE H A 37 ILE HG2% 1.0 . 5.39 1505 1398 A 39 GLN H A 37 ILE HG2% 1.0 . 4.71 1506 1399 A 38 LYS H A 37 ILE HG2% 1.0 . 4.66 1507 1400 A 54 TRP HBy A 37 ILE HG2% 1.0 . 5.02 1508 1401 A 54 TRP HBx A 37 ILE HG2% 1.0 . 4.64 1509 1402 A 37 ILE HG2% A 40 TRP HBx 1.0 . 4.40 1510 1403 A 43 ARG HDy A 37 ILE HG2% 1.0 . 5.05 1511 1404 A 37 ILE HG2% A 37 ILE HD1% 1.0 . 3.65 1512 1405 A 45 LEU HD2% A 37 ILE HG2% 1.0 . 4.45 1513 1406 A 6 ASP HA A 75 TYR HE% 1.0 . 3.56 1514 1407 A 20 PHE HE% A 20 PHE HA 1.0 . 5.50 1515 1408 A 20 PHE HA A 19 GLN HGy 1.0 . 5.30 1516 1408 A 19 GLN HGx A 20 PHE HA 1.0 . 5.30 1517 1409 A 6 ASP HBx A 6 ASP HA 1.0 . 2.96 1518 1410 A 14 THR H A 13 PHE HA 1.0 . 2.92 1519 1411 A 13 PHE HD% A 13 PHE HA 1.0 . 3.97 1520 1412 A 64 ILE HD1% A 69 GLY HAy 1.0 . 3.83 1521 1413 A 64 ILE HD1% A 30 TYR HBy 1.0 . 4.68 1522 1414 A 64 ILE HD1% A 30 TYR HBx 1.0 . 5.36 1523 1415 A 64 ILE HD1% A 31 LEU HG 1.0 . 4.76 1524 1416 A 64 ILE HD1% A 32 THR H 1.0 . 5.50 1525 1417 A 64 ILE HD1% A 31 LEU HBx 1.0 . 4.89 1526 1417 A 64 ILE HD1% A 31 LEU HBy 1.0 . 4.89 1527 1418 A 64 ILE H A 64 ILE HD1% 1.0 . 3.95 1528 1419 A 64 ILE HD1% A 69 GLY H 1.0 . 4.81 1529 1420 A 64 ILE HD1% A 64 ILE HB 1.0 . 2.97 1530 1421 A 64 ILE HD1% A 26 VAL HG1% 1.0 . 3.51 1531 1422 A 64 ILE HD1% A 31 LEU HD2% 1.0 . 2.86 1532 1423 A 64 ILE HD1% A 31 LEU H 1.0 . 5.38 1533 1424 A 75 TYR HBx A 79 ILE HD1% 1.0 . 4.61 1534 1425 A 18 THR H A 16 ASP HA 1.0 . 5.31 1535 1426 A 16 ASP H A 16 ASP HA 1.0 . 2.92 1536 1427 A 16 ASP HBy A 16 ASP HA 1.0 . 2.97 1537 1428 A 16 ASP HA A 15 ALA HB% 1.0 . 5.31 1538 1429 A 79 ILE H A 79 ILE HD1% 1.0 . 4.57 1539 1430 A 8 TYR H A 79 ILE HD1% 1.0 . 5.50 1540 1431 A 5 ILE HA A 79 ILE HD1% 1.0 . 4.88 1541 1432 A 75 TYR HBy A 79 ILE HD1% 1.0 . 3.54 1542 1433 A 5 ILE HB A 79 ILE HD1% 1.0 . 3.58 1543 1434 A 79 ILE HB A 79 ILE HD1% 1.0 . 3.62 1544 1435 A 5 ILE HG2% A 79 ILE HD1% 1.0 . 3.29 1545 1436 A 79 ILE HD1% A 5 ILE HD1% 1.0 . 3.72 1546 1437 A 45 LEU HD1% A 79 ILE HD1% 1.0 . 3.75 1547 1438 A 8 TYR HBy A 79 ILE HD1% 1.0 . 4.93 1548 1439 A 8 TYR HBx A 79 ILE HD1% 1.0 . 4.42 1549 1440 A 10 LEU H A 11 LYS HA 1.0 . 5.13 1550 1441 A 11 LYS HA A 22 ILE HG12 1.0 . 3.27 1551 1441 A 11 LYS HA A 22 ILE HG13 1.0 . 3.27 1552 1442 A 11 LYS HA A 11 LYS HGx 1.0 . 3.55 1553 1443 A 11 LYS HA A 74 VAL HG2% 1.0 . 5.02 1554 1444 A 16 ASP HA A 17 PHE HZ 1.0 . 5.33 1555 1445 A 16 ASP HA A 14 THR HG2% 1.0 . 5.50 1556 1446 A 17 PHE HBy A 16 ASP HA 1.0 . 5.35 1557 1447 A 27 PRO HGy A 28 ALA HA 1.0 . 5.42 1558 1448 A 28 ALA HA A 31 LEU HBx 1.0 . 3.67 1559 1448 A 28 ALA HA A 31 LEU HBy 1.0 . 3.67 1560 1449 A 28 ALA HA A 31 LEU HG 1.0 . 3.47 1561 1450 A 19 GLN HA A 20 PHE HD% 1.0 . 4.53 1562 1451 A 19 GLN HA A 20 PHE H 1.0 . 2.84 1563 1452 A 14 THR HA A 19 GLN HA 1.0 . 3.18 1564 1453 A 19 GLN HA A 19 GLN HGy 1.0 . 3.69 1565 1453 A 19 GLN HA A 19 GLN HGx 1.0 . 3.69 1566 1454 A 6 ASP H A 5 ILE HD1% 1.0 . 4.96 1567 1455 A 5 ILE H A 5 ILE HD1% 1.0 . 4.29 1568 1456 A 8 TYR HD% A 5 ILE HD1% 1.0 . 5.08 1569 1457 A 5 ILE HA A 5 ILE HD1% 1.0 . 4.51 1570 1458 A 46 PRO HDy A 5 ILE HD1% 1.0 . 4.24 1571 1459 A 46 PRO HBy A 5 ILE HD1% 1.0 . 4.14 1572 1460 A 5 ILE HB A 5 ILE HD1% 1.0 . 3.06 1573 1461 A 5 ILE HG2% A 5 ILE HD1% 1.0 . 3.23 1574 1462 A 45 LEU HD1% A 5 ILE HD1% 1.0 . 4.94 1575 1463 A 25 THR H A 24 ASP HA 1.0 . 2.96 1576 1464 A 12 GLU HA A 21 HIS HBy 1.0 . 4.72 1577 1465 A 20 PHE H A 12 GLU HA 1.0 . 4.77 1578 1466 A 22 ILE H A 21 HIS HA 1.0 . 3.04 1579 1467 A 12 GLU HBy A 21 HIS HA 1.0 . 3.84 1580 1468 A 21 HIS HA A 22 ILE HG12 1.0 . 4.73 1581 1468 A 21 HIS HA A 22 ILE HG13 1.0 . 4.73 1582 1469 A 11 LYS H A 10 LEU HA 1.0 . 2.92 1583 1470 A 10 LEU HG A 10 LEU HA 1.0 . 4.11 1584 1471 A 9 ALA HA A 10 LEU HA 1.0 . 4.45 1585 1472 A 22 ILE HD1% A 21 HIS HA 1.0 . 5.26 1586 1473 A 13 PHE H A 21 HIS HA 1.0 . 4.31 1587 1474 A 71 ILE HG2% A 21 HIS HA 1.0 . 5.16 1588 1475 A 10 LEU H A 9 ALA HA 1.0 . 2.78 1589 1476 A 9 ALA HA A 10 LEU HG 1.0 . 4.75 1590 1477 A 9 ALA HA A 8 TYR H 1.0 . 4.78 1591 1478 A 55 THR H A 37 ILE HD1% 1.0 . 5.48 1592 1479 A 37 ILE H A 37 ILE HD1% 1.0 . 5.32 1593 1480 A 56 TYR H A 37 ILE HD1% 1.0 . 5.09 1594 1481 A 38 LYS H A 37 ILE HD1% 1.0 . 5.50 1595 1482 A 61 TYR HD% A 37 ILE HD1% 1.0 . 4.20 1596 1483 A 54 TRP HBy A 37 ILE HD1% 1.0 . 5.11 1597 1484 A 56 TYR HBy A 37 ILE HD1% 1.0 . 4.07 1598 1485 A 56 TYR HBx A 37 ILE HD1% 1.0 . 4.11 1599 1486 A 7 GLN HE2x A 3 ALA HA 1.0 . 5.50 1600 1487 A 16 ASP H A 15 ALA HA 1.0 . 3.13 1601 1488 A 15 ALA HA A 16 ASP HA 1.0 . 4.49 1602 1489 A 15 ALA HA A 14 THR HG2% 1.0 . 4.52 1603 1490 A 23 GLY H A 22 ILE HD1% 1.0 . 4.30 1604 1491 A 74 VAL H A 22 ILE HD1% 1.0 . 3.66 1605 1492 A 22 ILE H A 22 ILE HD1% 1.0 . 3.79 1606 1493 A 73 LYS H A 22 ILE HD1% 1.0 . 4.59 1607 1494 A 11 LYS HA A 22 ILE HD1% 1.0 . 3.27 1608 1495 A 22 ILE HA A 22 ILE HD1% 1.0 . 3.22 1609 1496 A 22 ILE HD1% A 22 ILE HB 1.0 . 3.49 1610 1497 A 73 LYS HGy A 22 ILE HD1% 1.0 . 4.29 1611 1498 A 73 LYS HGx A 22 ILE HD1% 1.0 . 4.68 1612 1499 A 71 ILE HG2% A 22 ILE HD1% 1.0 . 2.87 1613 1500 A 74 VAL HG1% A 22 ILE HD1% 1.0 . 4.80 1614 1501 A 34 GLU H A 33 PRO HDx 1.0 . 4.37 1615 1501 A 34 GLU H A 33 PRO HDy 1.0 . 4.37 1616 1502 A 32 THR H A 33 PRO HDx 1.0 . 5.12 1617 1502 A 32 THR H A 33 PRO HDy 1.0 . 5.12 1618 1503 A 26 VAL H A 27 PRO HDx 1.0 . 5.50 1619 1504 A 20 PHE HE% A 27 PRO HDy 1.0 . 4.18 1620 1505 A 30 TYR HE% A 27 PRO HDy 1.0 . 4.11 1621 1505 A 30 TYR HD% A 27 PRO HDy 1.0 . 4.11 1622 1506 A 26 VAL HG1% A 27 PRO HDy 1.0 . 5.37 1623 1507 A 26 VAL HB A 27 PRO HDy 1.0 . 3.68 1624 1508 A 27 PRO HDx A 26 VAL HG1% 1.0 . 5.08 1625 1509 A 27 PRO HDx A 26 VAL HB 1.0 . 3.42 1626 1510 A 48 PRO HDx A 54 TRP HD1 1.0 . 5.32 1627 1511 A 48 PRO HDx A 47 ALA HB% 1.0 . 5.47 1628 1512 A 46 PRO HDy A 79 ILE HD1% 1.0 . 5.48 1629 1513 A 46 PRO HDy A 45 LEU HBy 1.0 . 4.76 1630 1514 A 54 TRP HE1 A 46 PRO HDy 1.0 . 5.50 1631 1515 A 75 TYR HD% A 46 PRO HDy 1.0 . 4.84 1632 1516 A 46 PRO HDy A 45 LEU HBx 1.0 . 3.99 1633 1517 A 45 LEU HD1% A 46 PRO HDy 1.0 . 4.25 1634 1518 A 19 GLN HGx A 21 HIS HE1 1.0 . 4.10 1635 1519 A 19 GLN HBx A 21 HIS HE1 1.0 . 3.96 1636 1520 A 20 PHE HA A 21 HIS HE1 1.0 . 4.73 1637 1521 A 34 GLU H A 35 TYR HDx 1.0 . 3.95 1638 1522 A 30 TYR HA A 35 TYR HDx 1.0 . 3.26 1639 1523 A 34 GLU HBy A 35 TYR HDx 1.0 . 3.71 1640 1524 A 35 TYR HBx A 35 TYR HDx 1.0 . 2.97 1641 1525 A 34 GLU HBx A 35 TYR HDx 1.0 . 3.63 1642 1526 A 32 THR HG2% A 35 TYR HDx 1.0 . 3.84 1643 1527 A 56 TYR HD% A 37 ILE HG1y 1.0 . 4.98 1644 1528 A 56 TYR H A 56 TYR HD% 1.0 . 4.19 1645 1529 A 59 GLY H A 56 TYR HD% 1.0 . 4.39 1646 1530 A 56 TYR HA A 56 TYR HD% 1.0 . 2.90 1647 1531 A 61 TYR HD% A 56 TYR HD% 1.0 . 4.19 1648 1532 A 61 TYR HA A 56 TYR HD% 1.0 . 3.67 1649 1533 A 56 TYR HD% A 37 ILE HD1% 1.0 . 3.95 1650 1534 A 81 TYR H A 81 TYR HD% 1.0 . 3.67 1651 1535 A 61 TYR HD% A 77 GLY H 1.0 . 4.52 1652 1536 A 61 TYR HD% A 37 ILE HG1x 1.0 . 4.74 1653 1537 A 61 TYR HD% A 61 TYR H 1.0 . 3.60 1654 1538 A 61 TYR HD% A 77 GLY HAy 1.0 . 3.46 1655 1539 A 61 TYR HD% A 79 ILE HG2% 1.0 . 2.90 1656 1540 A 61 TYR HD% A 45 LEU HD2% 1.0 . 3.18 1657 1541 A 61 TYR HD% A 75 TYR H 1.0 . 4.98 1658 1542 A 61 TYR HD% A 61 TYR HA 1.0 . 3.26 1659 1543 A 61 TYR HD% A 37 ILE HG2% 1.0 . 4.30 1660 1544 A 79 ILE HG2% A 75 TYR HD% 1.0 . 4.54 1661 1545 A 81 TYR HD% A 78 GLU HA 1.0 . 2.75 1662 1546 A 8 TYR HD% A 7 GLN HGy 1.0 . 4.15 1663 1547 A 75 TYR H A 75 TYR HD% 1.0 . 3.87 1664 1548 A 8 TYR H A 75 TYR HD% 1.0 . 4.41 1665 1549 A 9 ALA HA A 75 TYR HD% 1.0 . 3.51 1666 1550 A 75 TYR HD% A 9 ALA HB% 1.0 . 3.66 1667 1551 A 76 ASP H A 75 TYR HD% 1.0 . 4.08 1668 1552 A 75 TYR HA A 75 TYR HD% 1.0 . 3.28 1669 1553 A 8 TYR HBy A 75 TYR HD% 1.0 . 3.64 1670 1554 A 8 TYR HBx A 75 TYR HD% 1.0 . 3.14 1671 1555 A 75 TYR HD% A 79 ILE HD1% 1.0 . 3.48 1672 1556 A 45 LEU HD1% A 75 TYR HD% 1.0 . 3.32 1673 1557 A 75 TYR HD% A 5 ILE HB 1.0 . 3.96 1674 1558 A 75 TYR HD% A 5 ILE HD1% 1.0 . 4.67 1675 1559 A 9 ALA H A 75 TYR HD% 1.0 . 4.60 1676 1560 A 8 TYR H A 8 TYR HD% 1.0 . 3.39 1677 1561 A 8 TYR HD% A 8 TYR HA 1.0 . 2.99 1678 1562 A 8 TYR HD% A 5 ILE HA 1.0 . 2.94 1679 1563 A 76 ASP HBy A 8 TYR HD% 1.0 . 3.19 1680 1564 A 8 TYR HD% A 78 GLU HBx 1.0 . 3.13 1681 1564 A 8 TYR HD% A 78 GLU HBy 1.0 . 3.13 1682 1565 A 8 TYR HD% A 79 ILE HB 1.0 . 4.10 1683 1566 A 8 TYR HD% A 79 ILE HG1y 1.0 . 3.41 1684 1567 A 8 TYR HD% A 5 ILE HG2% 1.0 . 3.51 1685 1568 A 8 TYR HD% A 79 ILE HD1% 1.0 . 3.59 1686 1569 A 76 ASP H A 8 TYR HD% 1.0 . 4.28 1687 1570 A 8 TYR HD% A 79 ILE H 1.0 . 4.32 1688 1571 A 29 MET H A 30 TYR HE% 1.0 . 4.61 1689 1571 A 29 MET H A 30 TYR HD% 1.0 . 4.61 1690 1572 A 30 TYR H A 30 TYR HE% 1.0 . 3.33 1691 1572 A 30 TYR H A 30 TYR HD% 1.0 . 3.33 1692 1573 A 30 TYR HE% A 26 VAL HA 1.0 . 4.10 1693 1573 A 30 TYR HD% A 26 VAL HA 1.0 . 4.10 1694 1574 A 30 TYR HE% A 30 TYR HA 1.0 . 3.38 1695 1574 A 30 TYR HD% A 30 TYR HA 1.0 . 3.38 1696 1575 A 27 PRO HDx A 30 TYR HE% 1.0 . 3.32 1697 1575 A 30 TYR HD% A 27 PRO HDx 1.0 . 3.32 1698 1576 A 27 PRO HGy A 30 TYR HE% 1.0 . 3.14 1699 1576 A 27 PRO HGy A 30 TYR HD% 1.0 . 3.14 1700 1577 A 26 VAL HB A 30 TYR HE% 1.0 . 3.09 1701 1577 A 30 TYR HD% A 26 VAL HB 1.0 . 3.09 1702 1578 A 30 TYR HE% A 35 TYR HDx 1.0 . 4.82 1703 1578 A 30 TYR HD% A 35 TYR HDx 1.0 . 4.82 1704 1579 A 27 PRO HBy A 30 TYR HE% 1.0 . 4.34 1705 1579 A 27 PRO HBy A 30 TYR HD% 1.0 . 4.34 1706 1580 A 29 MET HBx A 30 TYR HE% 1.0 . 4.00 1707 1580 A 30 TYR HD% A 29 MET HBx 1.0 . 4.00 1708 1581 A 29 MET HGx A 30 TYR HE% 1.0 . 4.21 1709 1581 A 30 TYR HD% A 29 MET HGx 1.0 . 4.21 1710 1582 A 26 VAL HG1% A 30 TYR HE% 1.0 . 4.10 1711 1582 A 30 TYR HD% A 26 VAL HG1% 1.0 . 4.10 1712 1583 A 13 PHE HD% A 12 GLU HA 1.0 . 4.09 1713 1584 A 20 PHE HD% A 25 THR H 1.0 . 4.87 1714 1585 A 15 ALA H A 20 PHE HD% 1.0 . 4.06 1715 1586 A 20 PHE HD% A 20 PHE HA 1.0 . 3.24 1716 1587 A 20 PHE HD% A 24 ASP HBx 1.0 . 3.64 1717 1588 A 20 PHE HD% A 71 ILE HD1% 1.0 . 3.25 1718 1589 A 18 THR HG2% A 20 PHE HD% 1.0 . 4.38 1719 1590 A 14 THR HA A 20 PHE HD% 1.0 . 4.18 1720 1591 A 13 PHE HD% A 13 PHE H 1.0 . 3.66 1721 1592 A 13 PHE HD% A 15 ALA HB% 1.0 . 3.61 1722 1593 A 13 PHE HD% A 74 VAL HG2% 1.0 . 3.13 1723 1594 A 13 PHE HD% A 74 VAL HG1% 1.0 . 3.52 1724 1595 A 13 PHE HD% A 62 VAL HG2% 1.0 . 4.57 1725 1596 A 13 PHE HD% A 14 THR H 1.0 . 3.86 1726 1597 A 13 PHE HD% A 60 ASN HD2x 1.0 . 3.93 1727 1598 A 20 PHE HD% A 15 ALA HB% 1.0 . 3.72 1728 1599 A 17 PHE HA A 17 PHE HDy 1.0 . 3.95 1729 1600 A 17 PHE H A 17 PHE HDy 1.0 . 4.22 1730 1601 A 17 PHE HDx A 16 ASP HA 1.0 . 4.49 1731 1602 A 17 PHE HDx A 17 PHE HBy 1.0 . 3.56 1732 1603 A 17 PHE H A 17 PHE HDx 1.0 . 4.08 1733 1604 A 16 ASP HBy A 17 PHE HDx 1.0 . 4.70 1734 1605 A 80 PHE HD% A 80 PHE HA 1.0 . 3.49 1735 1606 A 15 ALA H A 20 PHE HE% 1.0 . 4.01 1736 1607 A 20 PHE HE% A 18 THR HG2% 1.0 . 3.72 1737 1608 A 20 PHE HE% A 26 VAL HA 1.0 . 3.53 1738 1609 A 18 THR HB A 20 PHE HE% 1.0 . 3.40 1739 1610 A 20 PHE HE% A 15 ALA HB% 1.0 . 3.31 1740 1611 A 20 PHE HE% A 71 ILE HD1% 1.0 . 3.73 1741 1612 A 20 PHE HE% A 27 PRO HDx 1.0 . 4.43 1742 1613 A 20 PHE HE% A 26 VAL HB 1.0 . 4.64 1743 1614 A 20 PHE HE% A 16 ASP HBx 1.0 . 4.74 1744 1615 A 26 VAL HG2% A 20 PHE HE% 1.0 . 4.58 1745 1616 A 20 PHE HE% A 27 PRO HGx 1.0 . 4.53 1746 1617 A 74 VAL HG1% A 13 PHE HE% 1.0 . 4.56 1747 1618 A 13 PHE HE% A 62 VAL HG2% 1.0 . 4.22 1748 1619 A 20 PHE HBy A 13 PHE HE% 1.0 . 4.74 1749 1620 A 80 PHE HD% A 80 PHE HZ 1.0 . 4.07 1750 1621 A 20 PHE HZ A 27 PRO HDx 1.0 . 3.94 1751 1622 A 20 PHE HZ A 27 PRO HGx 1.0 . 4.05 1752 1623 A 20 PHE HZ A 26 VAL HA 1.0 . 4.08 1753 1624 A 20 PHE HZ A 27 PRO HDy 1.0 . 3.59 1754 1625 A 20 PHE HZ A 26 VAL HB 1.0 . 4.86 1755 1626 A 20 PHE HZ A 18 THR HG2% 1.0 . 3.59 1756 1627 A 20 PHE HZ A 27 PRO HGy 1.0 . 4.57 1757 1628 A 40 TRP H A 40 TRP HD1 1.0 . 3.69 1758 1629 A 20 PHE HZ A 20 PHE HD% 1.0 . 4.01 1759 1630 A 20 PHE HZ A 15 ALA HB% 1.0 . 4.49 1760 1631 A 54 TRP HBy A 54 TRP HD1 1.0 . 3.86 1761 1632 A 48 PRO HBx A 54 TRP HD1 1.0 . 4.33 1762 1633 A 63 LEU HD1% A 54 TRP HD1 1.0 . 4.77 1763 1634 A 54 TRP HD1 A 40 TRP HD1 1.0 . 4.62 1764 1635 A 54 TRP H A 54 TRP HD1 1.0 . 4.05 1765 1636 A 40 TRP HH2 A 41 GLN HGx 1.0 . 4.88 1766 1637 A 47 ALA HB% A 40 TRP HH2 1.0 . 3.49 1767 1638 A 47 ALA HA A 40 TRP HH2 1.0 . 4.67 1768 1639 A 74 VAL HA A 54 TRP HZ3 1.0 . 4.42 1769 1640 A 54 TRP HH2 A 46 PRO HGy 1.0 . 4.78 1770 1641 A 73 LYS HBx A 54 TRP HH2 1.0 . 3.98 1771 1642 A 63 LEU HBy A 54 TRP HH2 1.0 . 4.47 1772 1643 A 63 LEU HBx A 54 TRP HH2 1.0 . 4.24 1773 1644 A 75 TYR HE% A 54 TRP HH2 1.0 . 3.76 1774 1645 A 62 VAL HA A 54 TRP HZ3 1.0 . 4.40 1775 1646 A 46 PRO HDy A 54 TRP HH2 1.0 . 4.57 1776 1647 A 63 LEU H A 54 TRP HZ3 1.0 . 4.20 1777 1648 A 61 TYR HBx A 54 TRP HZ3 1.0 . 5.03 1778 1649 A 54 TRP HZ3 A 74 VAL HG2% 1.0 . 4.93 1779 1650 A 47 ALA HA A 40 TRP HE3 1.0 . 4.69 1780 1651 A 40 TRP HE3 A 47 ALA HB% 1.0 . 4.30 1781 1652 A 40 TRP HE3 A 41 GLN HA 1.0 . 4.02 1782 1653 A 37 ILE H A 53 HIS HD2 1.0 . 4.23 1783 1654 A 53 HIS HD2 A 36 ASN HBx 1.0 . 4.63 1784 1655 A 54 TRP H A 53 HIS HD2 1.0 . 4.32 1785 1656 A 55 THR HA A 53 HIS HD2 1.0 . 4.83 1786 1657 A 53 HIS HD2 A 36 ASN HA 1.0 . 3.33 1787 1658 A 53 HIS HBy A 53 HIS HD2 1.0 . 3.94 1788 1659 A 53 HIS HD2 A 55 THR HG2% 1.0 . 3.69 1789 1660 A 55 THR HB A 53 HIS HD2 1.0 . 4.72 1790 1661 A 64 ILE HD1% A 53 HIS HD2 1.0 . 4.73 1791 1662 A 63 LEU H A 54 TRP HE3 1.0 . 4.52 1792 1663 A 55 THR H A 54 TRP HE3 1.0 . 3.54 1793 1664 A 62 VAL H A 54 TRP HE3 1.0 . 3.58 1794 1665 A 54 TRP HA A 54 TRP HE3 1.0 . 3.29 1795 1666 A 62 VAL HA A 54 TRP HE3 1.0 . 4.46 1796 1667 A 54 TRP HBy A 54 TRP HE3 1.0 . 4.12 1797 1668 A 54 TRP HBx A 54 TRP HE3 1.0 . 3.39 1798 1669 A 61 TYR HBy A 54 TRP HE3 1.0 . 3.39 1799 1670 A 61 TYR HBx A 54 TRP HE3 1.0 . 4.02 1800 1671 A 63 LEU HD1% A 54 TRP HE3 1.0 . 4.47 1801 1672 A 61 TYR HA A 54 TRP HE3 1.0 . 4.27 1802 1673 A 63 LEU HA A 54 TRP HE3 1.0 . 3.92 1803 1674 A 63 LEU HBy A 54 TRP HE3 1.0 . 4.84 1804 1675 A 63 LEU HBx A 54 TRP HE3 1.0 . 4.52 1805 1676 A 82 HIS HD2 A 8 TYR HE% 1.0 . 4.33 1806 1677 A 82 HIS HD2 A 82 HIS HBy 1.0 . 3.48 1807 1678 A 21 HIS H A 21 HIS HD2 1.0 . 5.17 1808 1679 A 21 HIS HA A 21 HIS HD2 1.0 . 4.25 1809 1680 A 82 HIS HD2 A 5 ILE HG2% 1.0 . 3.95 1810 1681 A 21 HIS HBy A 21 HIS HD2 1.0 . 3.50 1811 1682 A 12 GLU HBy A 21 HIS HD2 1.0 . 3.21 1812 1683 A 12 GLU HBx A 21 HIS HD2 1.0 . 3.54 1813 1684 A 8 TYR HE% A 79 ILE H 1.0 . 4.47 1814 1685 A 80 PHE H A 61 TYR HE% 1.0 . 4.16 1815 1686 A 77 GLY HAy A 61 TYR HE% 1.0 . 3.12 1816 1687 A 80 PHE HBy A 61 TYR HE% 1.0 . 3.30 1817 1688 A 61 TYR HE% A 80 PHE HBx 1.0 . 3.82 1818 1689 A 61 TYR HE% A 37 ILE HD1% 1.0 . 2.80 1819 1690 A 61 TYR HE% A 37 ILE HG2% 1.0 . 3.93 1820 1691 A 45 LEU HD2% A 61 TYR HE% 1.0 . 3.72 1821 1692 A 61 TYR HA A 61 TYR HE% 1.0 . 4.71 1822 1693 A 8 TYR HE% A 79 ILE HD1% 1.0 . 4.51 1823 1694 A 81 TYR HE% A 78 GLU HA 1.0 . 3.52 1824 1695 A 81 TYR HE% A 80 PHE HBx 1.0 . 4.60 1825 1696 A 8 TYR HE% A 78 GLU HBx 1.0 . 3.02 1826 1696 A 8 TYR HE% A 78 GLU HBy 1.0 . 3.02 1827 1697 A 8 TYR HE% A 79 ILE HG1y 1.0 . 3.70 1828 1698 A 8 TYR H A 8 TYR HE% 1.0 . 4.47 1829 1699 A 35 TYR HE% A 30 TYR HA 1.0 . 4.05 1830 1700 A 35 TYR HE% A 35 TYR HDx 1.0 . 2.40 1831 1701 A 35 TYR HE% A 34 GLU HBx 1.0 . 3.46 1832 1702 A 79 ILE HD1% A 75 TYR HE% 1.0 . 4.58 1833 1703 A 46 PRO HDy A 75 TYR HE% 1.0 . 4.00 1834 1704 A 75 TYR HE% A 46 PRO HGy 1.0 . 3.13 1835 1705 A 9 ALA HB% A 75 TYR HE% 1.0 . 2.91 1836 1706 A 34 GLU HBy A 35 TYR HE% 1.0 . 3.35 1837 1707 A 5 ILE HG2% A 75 TYR HE% 1.0 . 4.45 1838 1708 A 8 TYR H A 75 TYR HE% 1.0 . 4.41 1839 1709 A 9 ALA HA A 75 TYR HE% 1.0 . 3.82 1840 1710 A 6 ASP H A 75 TYR HE% 1.0 . 4.98 1841 1711 A 9 ALA H A 75 TYR HE% 1.0 . 4.26 1842 1712 A 73 LYS HEy A 75 TYR HE% 1.0 . 3.85 1843 1713 A 75 TYR HE% A 5 ILE HD1% 1.0 . 3.56 1844 1714 A 45 LEU HD1% A 75 TYR HE% 1.0 . 3.88 1845 1715 A 75 TYR HA A 75 TYR HE% 1.0 . 4.47 1846 1716 A 74 VAL H A 75 TYR HE% 1.0 . 4.86 1847 1717 A 56 TYR HE% A 60 ASN H 1.0 . 4.74 1848 1718 A 59 GLY H A 56 TYR HE% 1.0 . 3.90 1849 1719 A 56 TYR HA A 56 TYR HE% 1.0 . 4.50 1850 1720 A 56 TYR HE% A 77 GLY HAy 1.0 . 3.94 1851 1721 A 56 TYR HE% A 59 GLY HAx 1.0 . 4.05 1852 1722 A 56 TYR HE% A 37 ILE HD1% 1.0 . 4.87 1853 1723 A 56 TYR HE% A 77 GLY HAx 1.0 . 3.96 1854 1724 A 56 TYR HE% A 59 GLY HAy 1.0 . 3.53 1855 1725 A 47 ALA HA A 40 TRP HZ2 1.0 . 4.86 1856 1726 A 48 PRO HDy A 40 TRP HZ2 1.0 . 4.26 1857 1727 A 47 ALA HB% A 40 TRP HZ2 1.0 . 3.80 1858 1728 A 73 LYS HEy A 54 TRP HZ2 1.0 . 4.07 1859 1729 A 54 TRP HZ2 A 75 TYR HE% 1.0 . 3.93 1860 1730 A 46 PRO HDy A 54 TRP HZ2 1.0 . 3.31 1861 1731 A 54 TRP HZ2 A 46 PRO HBx 1.0 . 3.89 1862 1732 A 73 LYS HBx A 54 TRP HZ2 1.0 . 4.12 1863 1733 A 63 LEU HD2% A 54 TRP HZ2 1.0 . 3.99 1864 1734 A 54 TRP HZ2 A 45 LEU HBx 1.0 . 4.26 1865 1735 A 45 LEU HD1% A 54 TRP HZ2 1.0 . 4.21 1866 1736 A 63 LEU HD1% A 54 TRP HZ2 1.0 . 4.30 stop_ save_