data_nef_c25849_2n8g save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N8G stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 PRO middle . false 4 A 4 GLY middle . false 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 SER middle . . 8 A 8 ARG middle . . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 ARG middle . . 12 A 12 THR middle . . 13 A 13 ALA middle . . 14 A 14 PHE middle . . 15 A 15 THR middle . . 16 A 16 SER middle . . 17 A 17 GLU middle . . 18 A 18 GLN middle . . 19 A 19 LEU middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 ARG middle . . 24 A 24 LYS middle . . 25 A 25 GLU middle . . 26 A 26 PHE middle . . 27 A 27 HIS middle . . 28 A 28 CYS middle . . 29 A 29 LYS middle . . 30 A 30 LYS middle . . 31 A 31 TYR middle . . 32 A 32 LEU middle . . 33 A 33 SER middle . . 34 A 34 LEU middle . . 35 A 35 THR middle . . 36 A 36 GLU middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 GLN middle . . 40 A 40 ILE middle . . 41 A 41 ALA middle . . 42 A 42 HIS middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 LEU middle . . 47 A 47 SER middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 GLN middle . . 51 A 51 VAL middle . . 52 A 52 LYS middle . . 53 A 53 ILE middle . . 54 A 54 TRP middle . . 55 A 55 PHE middle . . 56 A 56 GLN middle . . 57 A 57 ASN middle . . 58 A 58 GLU middle . . 59 A 59 ARG middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 TRP middle . . 63 A 63 LYS middle . . 64 A 64 ARG middle . . 65 A 65 ILE middle . . 66 A 66 LYS middle . . 67 A 67 ALA middle . . 68 A 68 GLY middle . false 69 A 69 ASN middle . . 70 A 70 VAL middle . . 71 A 71 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 PRO HA H 1 4.365 0.008 A 3 PRO C C 13 177.410 0.179 A 3 PRO CA C 13 63.261 0.179 A 3 PRO CB C 13 31.782 0.179 A 4 GLY H H 1 8.463 0.008 A 4 GLY C C 13 173.688 0.179 A 4 GLY CA C 13 45.075 0.179 A 4 GLY N N 15 109.481 0.132 A 5 GLY H H 1 8.226 0.008 A 5 GLY HAx H 1 3.906 0.008 A 5 GLY HAy H 1 3.906 0.008 A 5 GLY C C 13 174.231 0.179 A 5 GLY CA C 13 45.382 0.179 A 5 GLY N N 15 108.665 0.132 A 6 LYS H H 1 8.238 0.008 A 6 LYS HA H 1 4.256 0.008 A 6 LYS C C 13 176.715 0.179 A 6 LYS CA C 13 56.292 0.179 A 6 LYS CB C 13 32.806 0.179 A 6 LYS N N 15 120.860 0.132 A 7 SER H H 1 8.274 0.008 A 7 SER HA H 1 4.344 0.008 A 7 SER C C 13 174.437 0.179 A 7 SER CA C 13 58.373 0.179 A 7 SER CB C 13 63.557 0.179 A 7 SER N N 15 116.762 0.132 A 8 ARG H H 1 8.343 0.008 A 8 ARG HA H 1 4.263 0.008 A 8 ARG C C 13 176.017 0.179 A 8 ARG CA C 13 55.951 0.179 A 8 ARG CB C 13 30.533 0.179 A 8 ARG N N 15 123.315 0.132 A 9 ARG H H 1 8.270 0.008 A 9 ARG HA H 1 4.228 0.008 A 9 ARG C C 13 176.001 0.179 A 9 ARG CA C 13 55.936 0.179 A 9 ARG CB C 13 30.625 0.179 A 9 ARG N N 15 122.423 0.132 A 10 ARG H H 1 8.382 0.008 A 10 ARG HA H 1 4.249 0.008 A 10 ARG C C 13 176.008 0.179 A 10 ARG CA C 13 55.866 0.179 A 10 ARG CB C 13 30.716 0.179 A 10 ARG N N 15 123.297 0.132 A 11 ARG H H 1 8.463 0.008 A 11 ARG HA H 1 4.312 0.008 A 11 ARG C C 13 176.115 0.179 A 11 ARG CA C 13 56.079 0.179 A 11 ARG CB C 13 30.783 0.179 A 11 ARG N N 15 123.308 0.132 A 12 THR H H 1 8.176 0.008 A 12 THR HA H 1 4.193 0.008 A 12 THR HB H 1 4.049 0.008 A 12 THR HG2% H 1 1.043 0.008 A 12 THR C C 13 173.498 0.179 A 12 THR CA C 13 61.491 0.179 A 12 THR CB C 13 69.706 0.179 A 12 THR N N 15 116.294 0.132 A 13 ALA H H 1 8.184 0.008 A 13 ALA HA H 1 4.221 0.008 A 13 ALA HB% H 1 1.195 0.008 A 13 ALA C C 13 176.874 0.179 A 13 ALA CA C 13 52.023 0.179 A 13 ALA CB C 13 19.632 0.179 A 13 ALA N N 15 127.117 0.132 A 14 PHE H H 1 7.979 0.008 A 14 PHE HA H 1 4.892 0.008 A 14 PHE HBy H 1 3.139 0.008 A 14 PHE HBx H 1 2.723 0.008 A 14 PHE HDx H 1 7.041 0.008 A 14 PHE HDy H 1 7.178 0.008 A 14 PHE HEx H 1 7.321 0.008 A 14 PHE HEy H 1 7.321 0.008 A 14 PHE C C 13 176.653 0.179 A 14 PHE CA C 13 56.134 0.179 A 14 PHE CB C 13 40.512 0.179 A 14 PHE CDx C 13 128.420 0.179 A 14 PHE CDy C 13 128.476 0.179 A 14 PHE CEx C 13 126.347 0.179 A 14 PHE CEy C 13 126.347 0.179 A 14 PHE N N 15 118.798 0.132 A 15 THR H H 1 9.006 0.008 A 15 THR HA H 1 4.426 0.008 A 15 THR HB H 1 4.750 0.008 A 15 THR HG2% H 1 1.235 0.008 A 15 THR C C 13 175.371 0.179 A 15 THR CA C 13 60.434 0.179 A 15 THR CB C 13 70.826 0.179 A 15 THR CG2 C 13 21.777 0.179 A 15 THR N N 15 113.522 0.132 A 16 SER H H 1 9.027 0.008 A 16 SER HA H 1 3.862 0.008 A 16 SER HBx H 1 4.056 0.008 A 16 SER HBy H 1 4.056 0.008 A 16 SER C C 13 176.742 0.179 A 16 SER CA C 13 62.165 0.179 A 16 SER CB C 13 61.908 0.179 A 16 SER N N 15 116.611 0.132 A 17 GLU H H 1 8.629 0.008 A 17 GLU HA H 1 3.943 0.008 A 17 GLU HBy H 1 1.987 0.008 A 17 GLU HBx H 1 1.883 0.008 A 17 GLU HGx H 1 2.208 0.008 A 17 GLU HGy H 1 2.288 0.008 A 17 GLU C C 13 178.802 0.179 A 17 GLU CA C 13 60.081 0.179 A 17 GLU CB C 13 29.106 0.179 A 17 GLU CG C 13 36.835 0.179 A 17 GLU N N 15 120.901 0.132 A 18 GLN H H 1 7.653 0.008 A 18 GLN HA H 1 3.746 0.008 A 18 GLN HBx H 1 1.431 0.008 A 18 GLN HBy H 1 2.499 0.008 A 18 GLN HE2x H 1 6.529 0.008 A 18 GLN HE2y H 1 7.600 0.008 A 18 GLN HGx H 1 2.269 0.008 A 18 GLN HGy H 1 2.556 0.008 A 18 GLN C C 13 177.493 0.179 A 18 GLN CA C 13 58.884 0.179 A 18 GLN CB C 13 28.058 0.179 A 18 GLN CG C 13 34.893 0.179 A 18 GLN N N 15 118.523 0.132 A 18 GLN NE2 N 15 110.935 0.132 A 19 LEU H H 1 8.085 0.008 A 19 LEU HA H 1 3.532 0.008 A 19 LEU HBx H 1 1.358 0.008 A 19 LEU HBy H 1 1.680 0.008 A 19 LEU HDx% H 1 0.725 0.008 A 19 LEU HDy% H 1 0.843 0.008 A 19 LEU HG H 1 1.533 0.008 A 19 LEU C C 13 178.289 0.179 A 19 LEU CA C 13 57.719 0.179 A 19 LEU CB C 13 41.990 0.179 A 19 LEU CDx C 13 23.814 0.179 A 19 LEU CDy C 13 25.019 0.179 A 19 LEU CG C 13 26.986 0.179 A 19 LEU N N 15 117.349 0.132 A 20 LEU H H 1 7.891 0.008 A 20 LEU HA H 1 3.872 0.008 A 20 LEU HBx H 1 1.606 0.008 A 20 LEU HBy H 1 1.729 0.008 A 20 LEU HDx% H 1 0.804 0.008 A 20 LEU HDy% H 1 0.828 0.008 A 20 LEU HG H 1 1.550 0.008 A 20 LEU C C 13 179.808 0.179 A 20 LEU CA C 13 58.332 0.179 A 20 LEU CB C 13 42.004 0.179 A 20 LEU CDx C 13 24.418 0.179 A 20 LEU CDy C 13 24.888 0.179 A 20 LEU CG C 13 27.162 0.179 A 20 LEU N N 15 118.800 0.132 A 21 GLU H H 1 7.373 0.008 A 21 GLU HA H 1 4.037 0.008 A 21 GLU HBx H 1 1.901 0.008 A 21 GLU HBy H 1 2.008 0.008 A 21 GLU HGx H 1 2.223 0.008 A 21 GLU HGy H 1 2.341 0.008 A 21 GLU C C 13 175.996 0.179 A 21 GLU CA C 13 58.410 0.179 A 21 GLU CB C 13 29.813 0.179 A 21 GLU CG C 13 35.063 0.179 A 21 GLU N N 15 118.036 0.132 A 22 LEU H H 1 8.090 0.008 A 22 LEU HA H 1 3.486 0.008 A 22 LEU HBx H 1 -0.809 0.008 A 22 LEU HBy H 1 0.564 0.008 A 22 LEU HDx% H 1 -0.615 0.008 A 22 LEU HDy% H 1 1.058 0.008 A 22 LEU HG H 1 0.374 0.008 A 22 LEU CA C 13 58.255 0.179 A 22 LEU CB C 13 38.435 0.179 A 22 LEU CDx C 13 24.163 0.179 A 22 LEU CDy C 13 25.889 0.179 A 22 LEU CG C 13 22.581 0.179 A 22 LEU N N 15 121.854 0.132 A 23 ARG H H 1 8.048 0.008 A 23 ARG HA H 1 3.925 0.008 A 23 ARG HBx H 1 1.822 0.008 A 23 ARG HBy H 1 1.822 0.008 A 23 ARG HDx H 1 3.115 0.008 A 23 ARG HDy H 1 3.115 0.008 A 23 ARG HGx H 1 1.685 0.008 A 23 ARG HGy H 1 1.917 0.008 A 23 ARG CA C 13 60.148 0.179 A 23 ARG CB C 13 30.011 0.179 A 23 ARG CD C 13 43.433 0.179 A 23 ARG CG C 13 29.014 0.179 A 23 ARG N N 15 116.956 0.132 A 24 LYS H H 1 7.780 0.008 A 24 LYS HA H 1 3.981 0.008 A 24 LYS HBx H 1 1.914 0.008 A 24 LYS HBy H 1 1.914 0.008 A 24 LYS HDx H 1 1.690 0.008 A 24 LYS HDy H 1 1.690 0.008 A 24 LYS HGx H 1 1.538 0.008 A 24 LYS HGy H 1 1.538 0.008 A 24 LYS CA C 13 59.709 0.179 A 24 LYS CB C 13 32.442 0.179 A 24 LYS N N 15 121.392 0.132 A 25 GLU H H 1 8.005 0.008 A 25 GLU HA H 1 4.240 0.008 A 25 GLU HBx H 1 2.230 0.008 A 25 GLU HBy H 1 2.230 0.008 A 25 GLU HGx H 1 2.263 0.008 A 25 GLU HGy H 1 2.489 0.008 A 25 GLU C C 13 178.495 0.179 A 25 GLU CA C 13 58.763 0.179 A 25 GLU CB C 13 28.715 0.179 A 25 GLU CG C 13 34.612 0.179 A 25 GLU N N 15 119.698 0.132 A 26 PHE H H 1 8.782 0.008 A 26 PHE HA H 1 4.631 0.008 A 26 PHE HBx H 1 2.990 0.008 A 26 PHE HBy H 1 3.036 0.008 A 26 PHE HDy H 1 6.887 0.008 A 26 PHE HDx H 1 6.851 0.008 A 26 PHE HEx H 1 6.844 0.008 A 26 PHE HEy H 1 6.844 0.008 A 26 PHE HZ H 1 6.566 0.008 A 26 PHE C C 13 176.071 0.179 A 26 PHE CA C 13 59.830 0.179 A 26 PHE CB C 13 39.581 0.179 A 26 PHE CDy C 13 129.513 0.179 A 26 PHE CDx C 13 129.486 0.179 A 26 PHE CEx C 13 127.993 0.179 A 26 PHE CEy C 13 127.993 0.179 A 26 PHE CZ C 13 125.865 0.179 A 26 PHE N N 15 121.062 0.132 A 27 HIS H H 1 7.786 0.008 A 27 HIS HA H 1 4.034 0.008 A 27 HIS HBx H 1 3.196 0.008 A 27 HIS HBy H 1 3.196 0.008 A 27 HIS HD2 H 1 6.927 0.008 A 27 HIS CA C 13 58.231 0.179 A 27 HIS CB C 13 29.096 0.179 A 27 HIS CD2 C 13 118.030 0.179 A 27 HIS N N 15 115.944 0.132 A 28 CYS H H 1 7.330 0.008 A 28 CYS C C 13 175.913 0.179 A 28 CYS CA C 13 51.047 0.179 A 28 CYS CB C 13 49.898 0.179 A 28 CYS N N 15 113.854 0.132 A 29 LYS H H 1 8.355 0.008 A 29 LYS HA H 1 4.264 0.008 A 29 LYS HBx H 1 1.625 0.008 A 29 LYS HBy H 1 1.751 0.008 A 29 LYS HDx H 1 1.597 0.008 A 29 LYS HDy H 1 1.597 0.008 A 29 LYS HEx H 1 2.915 0.008 A 29 LYS HEy H 1 2.915 0.008 A 29 LYS HGy H 1 1.321 0.008 A 29 LYS HGx H 1 1.253 0.008 A 29 LYS C C 13 172.365 0.179 A 29 LYS CA C 13 56.072 0.179 A 29 LYS CB C 13 35.073 0.179 A 29 LYS CD C 13 29.519 0.179 A 29 LYS CE C 13 42.259 0.179 A 29 LYS CG C 13 24.743 0.179 A 29 LYS N N 15 121.350 0.132 A 30 LYS H H 1 7.845 0.008 A 30 LYS HA H 1 3.716 0.008 A 30 LYS HBy H 1 1.393 0.008 A 30 LYS HBx H 1 1.093 0.008 A 30 LYS HGx H 1 0.388 0.008 A 30 LYS HGy H 1 0.698 0.008 A 30 LYS C C 13 174.932 0.179 A 30 LYS CA C 13 55.928 0.179 A 30 LYS CB C 13 32.548 0.179 A 30 LYS CG C 13 24.324 0.179 A 30 LYS N N 15 117.744 0.132 A 31 TYR H H 1 7.271 0.008 A 31 TYR HA H 1 4.500 0.008 A 31 TYR HBx H 1 2.603 0.008 A 31 TYR HBy H 1 2.843 0.008 A 31 TYR HDx H 1 7.022 0.008 A 31 TYR HDy H 1 7.022 0.008 A 31 TYR HEx H 1 6.749 0.008 A 31 TYR HEy H 1 6.749 0.008 A 31 TYR CA C 13 56.394 0.179 A 31 TYR CB C 13 41.161 0.179 A 31 TYR CDy C 13 130.702 0.179 A 31 TYR CDx C 13 130.700 0.179 A 31 TYR CEx C 13 115.140 0.179 A 31 TYR CEy C 13 115.140 0.179 A 31 TYR N N 15 113.437 0.132 A 32 LEU H H 1 8.276 0.008 A 32 LEU HA H 1 4.621 0.008 A 32 LEU HBy H 1 1.401 0.008 A 32 LEU HBx H 1 1.257 0.008 A 32 LEU HDx% H 1 0.029 0.008 A 32 LEU HDy% H 1 0.407 0.008 A 32 LEU HG H 1 0.624 0.008 A 32 LEU C C 13 177.448 0.179 A 32 LEU CA C 13 52.785 0.179 A 32 LEU CB C 13 44.699 0.179 A 32 LEU CDy C 13 26.426 0.179 A 32 LEU CDx C 13 22.653 0.179 A 32 LEU CG C 13 26.494 0.179 A 32 LEU N N 15 122.416 0.132 A 33 SER H H 1 9.224 0.008 A 33 SER HA H 1 4.495 0.008 A 33 SER HBx H 1 3.918 0.008 A 33 SER HBy H 1 4.292 0.008 A 33 SER C C 13 174.599 0.179 A 33 SER CA C 13 56.591 0.179 A 33 SER CB C 13 64.944 0.179 A 33 SER N N 15 119.021 0.132 A 34 LEU H H 1 8.742 0.008 A 34 LEU HA H 1 3.906 0.008 A 34 LEU HBx H 1 1.614 0.008 A 34 LEU HBy H 1 1.686 0.008 A 34 LEU HDx% H 1 0.871 0.008 A 34 LEU HDy% H 1 0.835 0.008 A 34 LEU HG H 1 1.622 0.008 A 34 LEU C C 13 179.869 0.179 A 34 LEU CA C 13 58.918 0.179 A 34 LEU CB C 13 41.385 0.179 A 34 LEU CDy C 13 24.446 0.179 A 34 LEU CDx C 13 24.023 0.179 A 34 LEU CG C 13 27.217 0.179 A 34 LEU N N 15 121.555 0.132 A 35 THR H H 1 8.039 0.008 A 35 THR HA H 1 3.861 0.008 A 35 THR HB H 1 3.956 0.008 A 35 THR HG2% H 1 1.142 0.008 A 35 THR C C 13 176.846 0.179 A 35 THR CA C 13 65.790 0.179 A 35 THR CB C 13 68.421 0.179 A 35 THR CG2 C 13 21.835 0.179 A 35 THR N N 15 113.629 0.132 A 36 GLU H H 1 7.619 0.008 A 36 GLU HA H 1 3.911 0.008 A 36 GLU HBx H 1 1.796 0.008 A 36 GLU HBy H 1 2.177 0.008 A 36 GLU HGx H 1 2.178 0.008 A 36 GLU HGy H 1 2.178 0.008 A 36 GLU C C 13 178.858 0.179 A 36 GLU CA C 13 58.847 0.179 A 36 GLU CB C 13 30.538 0.179 A 36 GLU CG C 13 37.110 0.179 A 36 GLU N N 15 122.918 0.132 A 37 ARG H H 1 8.661 0.008 A 37 ARG HA H 1 3.684 0.008 A 37 ARG HBx H 1 1.778 0.008 A 37 ARG HBy H 1 1.876 0.008 A 37 ARG HDx H 1 3.119 0.008 A 37 ARG HDy H 1 3.119 0.008 A 37 ARG HGx H 1 1.271 0.008 A 37 ARG HGy H 1 1.566 0.008 A 37 ARG C C 13 177.748 0.179 A 37 ARG CA C 13 60.036 0.179 A 37 ARG CB C 13 30.812 0.179 A 37 ARG CD C 13 43.444 0.179 A 37 ARG CG C 13 27.968 0.179 A 37 ARG N N 15 119.042 0.132 A 38 SER H H 1 7.998 0.008 A 38 SER HA H 1 4.004 0.008 A 38 SER HBx H 1 3.882 0.008 A 38 SER HBy H 1 3.935 0.008 A 38 SER C C 13 176.517 0.179 A 38 SER CA C 13 61.804 0.179 A 38 SER CB C 13 62.810 0.179 A 38 SER N N 15 113.447 0.132 A 39 GLN H H 1 7.944 0.008 A 39 GLN HA H 1 4.047 0.008 A 39 GLN HBx H 1 2.075 0.008 A 39 GLN HBy H 1 2.166 0.008 A 39 GLN HE2x H 1 6.841 0.008 A 39 GLN HE2y H 1 7.352 0.008 A 39 GLN HGx H 1 2.342 0.008 A 39 GLN HGy H 1 2.480 0.008 A 39 GLN C C 13 178.889 0.179 A 39 GLN CA C 13 59.090 0.179 A 39 GLN CB C 13 28.315 0.179 A 39 GLN CG C 13 33.928 0.179 A 39 GLN N N 15 121.739 0.132 A 39 GLN NE2 N 15 111.285 0.132 A 40 ILE H H 1 8.109 0.008 A 40 ILE HA H 1 3.837 0.008 A 40 ILE HB H 1 1.684 0.008 A 40 ILE HD1% H 1 0.790 0.008 A 40 ILE HG1x H 1 1.006 0.008 A 40 ILE HG1y H 1 1.621 0.008 A 40 ILE HG2% H 1 0.681 0.008 A 40 ILE C C 13 176.844 0.179 A 40 ILE CA C 13 64.398 0.179 A 40 ILE CB C 13 38.175 0.179 A 40 ILE CD1 C 13 17.900 0.179 A 40 ILE CG1 C 13 29.702 0.179 A 40 ILE CG2 C 13 14.279 0.179 A 40 ILE N N 15 121.471 0.132 A 41 ALA H H 1 8.223 0.008 A 41 ALA HA H 1 3.594 0.008 A 41 ALA HB% H 1 1.321 0.008 A 41 ALA C C 13 179.238 0.179 A 41 ALA CA C 13 55.926 0.179 A 41 ALA CB C 13 17.584 0.179 A 41 ALA N N 15 121.897 0.132 A 42 HIS H H 1 8.011 0.008 A 42 HIS HA H 1 4.323 0.008 A 42 HIS HBx H 1 3.239 0.008 A 42 HIS HBy H 1 3.239 0.008 A 42 HIS HD2 H 1 7.222 0.008 A 42 HIS C C 13 178.003 0.179 A 42 HIS CA C 13 58.745 0.179 A 42 HIS CB C 13 28.762 0.179 A 42 HIS CD2 C 13 117.296 0.179 A 42 HIS N N 15 114.139 0.132 A 43 ALA H H 1 8.067 0.008 A 43 ALA HA H 1 3.992 0.008 A 43 ALA HB% H 1 1.458 0.008 A 43 ALA C C 13 179.235 0.179 A 43 ALA CA C 13 54.911 0.179 A 43 ALA CB C 13 18.403 0.179 A 43 ALA N N 15 121.931 0.132 A 44 LEU H H 1 7.939 0.008 A 44 LEU HA H 1 4.239 0.008 A 44 LEU HBy H 1 1.519 0.008 A 44 LEU HBx H 1 1.372 0.008 A 44 LEU HDx% H 1 0.621 0.008 A 44 LEU HDy% H 1 0.665 0.008 A 44 LEU HG H 1 1.868 0.008 A 44 LEU C C 13 175.891 0.179 A 44 LEU CA C 13 54.236 0.179 A 44 LEU CB C 13 42.580 0.179 A 44 LEU CDy C 13 26.227 0.179 A 44 LEU CDx C 13 22.675 0.179 A 44 LEU CG C 13 26.802 0.179 A 44 LEU N N 15 114.067 0.132 A 45 LYS H H 1 7.735 0.008 A 45 LYS HA H 1 3.877 0.008 A 45 LYS HBx H 1 1.771 0.008 A 45 LYS HBy H 1 2.072 0.008 A 45 LYS HGx H 1 1.248 0.008 A 45 LYS HGy H 1 1.248 0.008 A 45 LYS C C 13 175.207 0.179 A 45 LYS CA C 13 57.254 0.179 A 45 LYS CB C 13 28.397 0.179 A 45 LYS CG C 13 24.984 0.179 A 45 LYS N N 15 116.940 0.132 A 46 LEU H H 1 8.285 0.008 A 46 LEU HA H 1 4.707 0.008 A 46 LEU HBx H 1 1.166 0.008 A 46 LEU HBy H 1 1.500 0.008 A 46 LEU HDx% H 1 0.701 0.008 A 46 LEU HDy% H 1 0.446 0.008 A 46 LEU HG H 1 1.380 0.008 A 46 LEU C C 13 175.958 0.179 A 46 LEU CA C 13 52.339 0.179 A 46 LEU CB C 13 47.312 0.179 A 46 LEU CDx C 13 23.655 0.179 A 46 LEU CDy C 13 26.944 0.179 A 46 LEU CG C 13 26.254 0.179 A 46 LEU N N 15 119.505 0.132 A 47 SER H H 1 8.726 0.008 A 47 SER HA H 1 4.641 0.008 A 47 SER HBx H 1 3.879 0.008 A 47 SER HBy H 1 4.243 0.008 A 47 SER C C 13 175.899 0.179 A 47 SER CA C 13 56.675 0.179 A 47 SER CB C 13 64.911 0.179 A 47 SER N N 15 114.844 0.132 A 48 GLU H H 1 9.152 0.008 A 48 GLU HA H 1 3.595 0.008 A 48 GLU HBx H 1 1.970 0.008 A 48 GLU HBy H 1 1.970 0.008 A 48 GLU HGx H 1 2.044 0.008 A 48 GLU HGy H 1 2.317 0.008 A 48 GLU C C 13 178.430 0.179 A 48 GLU CA C 13 61.115 0.179 A 48 GLU CB C 13 29.010 0.179 A 48 GLU CG C 13 37.507 0.179 A 48 GLU N N 15 122.920 0.132 A 49 VAL H H 1 7.931 0.008 A 49 VAL HA H 1 3.690 0.008 A 49 VAL HB H 1 1.977 0.008 A 49 VAL HGx% H 1 1.021 0.008 A 49 VAL HGy% H 1 0.930 0.008 A 49 VAL C C 13 177.001 0.179 A 49 VAL CA C 13 65.753 0.179 A 49 VAL CB C 13 31.809 0.179 A 49 VAL CGy C 13 22.760 0.179 A 49 VAL CGx C 13 20.932 0.179 A 49 VAL N N 15 118.053 0.132 A 50 GLN H H 1 7.632 0.008 A 50 GLN HA H 1 4.074 0.008 A 50 GLN HBy H 1 2.542 0.008 A 50 GLN HBx H 1 2.008 0.008 A 50 GLN HE2x H 1 6.873 0.008 A 50 GLN HE2y H 1 7.361 0.008 A 50 GLN HGx H 1 2.428 0.008 A 50 GLN HGy H 1 2.428 0.008 A 50 GLN C C 13 179.480 0.179 A 50 GLN CA C 13 59.254 0.179 A 50 GLN CB C 13 29.657 0.179 A 50 GLN CG C 13 35.580 0.179 A 50 GLN N N 15 119.121 0.132 A 50 GLN NE2 N 15 112.710 0.132 A 51 VAL H H 1 7.617 0.008 A 51 VAL HA H 1 3.644 0.008 A 51 VAL HB H 1 2.142 0.008 A 51 VAL HGx% H 1 0.898 0.008 A 51 VAL HGy% H 1 0.925 0.008 A 51 VAL C C 13 176.652 0.179 A 51 VAL CA C 13 67.421 0.179 A 51 VAL CB C 13 32.160 0.179 A 51 VAL CGy C 13 23.617 0.179 A 51 VAL CGx C 13 22.529 0.179 A 51 VAL N N 15 118.983 0.132 A 52 LYS H H 1 8.446 0.008 A 52 LYS HA H 1 4.167 0.008 A 52 LYS HBy H 1 2.147 0.008 A 52 LYS HBx H 1 1.797 0.008 A 52 LYS HDx H 1 1.622 0.008 A 52 LYS HDy H 1 1.690 0.008 A 52 LYS HEx H 1 2.905 0.008 A 52 LYS HEy H 1 2.905 0.008 A 52 LYS HGx H 1 1.280 0.008 A 52 LYS HGy H 1 1.503 0.008 A 52 LYS C C 13 179.592 0.179 A 52 LYS CA C 13 59.948 0.179 A 52 LYS CB C 13 33.291 0.179 A 52 LYS CD C 13 29.951 0.179 A 52 LYS CE C 13 42.230 0.179 A 52 LYS CG C 13 24.975 0.179 A 52 LYS N N 15 120.962 0.132 A 53 ILE H H 1 8.624 0.008 A 53 ILE HA H 1 3.735 0.008 A 53 ILE HB H 1 1.983 0.008 A 53 ILE HD1% H 1 0.795 0.008 A 53 ILE HG1y H 1 1.706 0.008 A 53 ILE HG1x H 1 1.251 0.008 A 53 ILE HG2% H 1 0.926 0.008 A 53 ILE C C 13 177.452 0.179 A 53 ILE CA C 13 64.226 0.179 A 53 ILE CB C 13 38.026 0.179 A 53 ILE CD1 C 13 12.870 0.179 A 53 ILE CG1 C 13 29.244 0.179 A 53 ILE CG2 C 13 17.421 0.179 A 53 ILE N N 15 120.085 0.132 A 54 TRP H H 1 8.347 0.008 A 54 TRP HA H 1 3.987 0.008 A 54 TRP HBx H 1 3.319 0.008 A 54 TRP HBy H 1 3.450 0.008 A 54 TRP HD1 H 1 6.785 0.008 A 54 TRP HE1 H 1 9.111 0.008 A 54 TRP HZ2 H 1 6.815 0.008 A 54 TRP HZ3 H 1 6.142 0.008 A 54 TRP C C 13 179.143 0.179 A 54 TRP CA C 13 63.592 0.179 A 54 TRP CB C 13 28.940 0.179 A 54 TRP CD1 C 13 124.206 0.179 A 54 TRP CZ2 C 13 111.132 0.179 A 54 TRP CZ3 C 13 119.846 0.179 A 54 TRP N N 15 122.169 0.132 A 54 TRP NE1 N 15 128.446 0.132 A 55 PHE H H 1 8.874 0.008 A 55 PHE HA H 1 3.654 0.008 A 55 PHE HBx H 1 3.172 0.008 A 55 PHE HBy H 1 3.455 0.008 A 55 PHE HDx H 1 7.660 0.008 A 55 PHE HDy H 1 7.660 0.008 A 55 PHE HEy H 1 7.484 0.008 A 55 PHE HEx H 1 7.147 0.008 A 55 PHE C C 13 177.833 0.179 A 55 PHE CA C 13 63.202 0.179 A 55 PHE CB C 13 39.539 0.179 A 55 PHE CDx C 13 129.154 0.179 A 55 PHE CDy C 13 129.154 0.179 A 55 PHE CEy C 13 129.297 0.179 A 55 PHE CEx C 13 126.666 0.179 A 55 PHE N N 15 118.530 0.132 A 56 GLN H H 1 8.068 0.008 A 56 GLN HA H 1 3.889 0.008 A 56 GLN HBx H 1 2.147 0.008 A 56 GLN HBy H 1 2.236 0.008 A 56 GLN HE2x H 1 6.730 0.008 A 56 GLN HE2y H 1 7.568 0.008 A 56 GLN HGx H 1 2.393 0.008 A 56 GLN HGy H 1 2.494 0.008 A 56 GLN C C 13 179.052 0.179 A 56 GLN CA C 13 59.485 0.179 A 56 GLN CB C 13 28.569 0.179 A 56 GLN CG C 13 34.007 0.179 A 56 GLN N N 15 118.313 0.132 A 56 GLN NE2 N 15 111.285 0.132 A 57 ASN H H 1 8.429 0.008 A 57 ASN HA H 1 4.281 0.008 A 57 ASN HBx H 1 2.465 0.008 A 57 ASN HBy H 1 2.671 0.008 A 57 ASN HD2x H 1 6.820 0.008 A 57 ASN HD2y H 1 7.510 0.008 A 57 ASN C C 13 177.385 0.179 A 57 ASN CA C 13 55.392 0.179 A 57 ASN CB C 13 37.833 0.179 A 57 ASN N N 15 119.607 0.132 A 57 ASN ND2 N 15 112.846 0.132 A 58 GLU H H 1 8.224 0.008 A 58 GLU HA H 1 3.361 0.008 A 58 GLU HBx H 1 -0.030 0.008 A 58 GLU HBy H 1 0.315 0.008 A 58 GLU HGy H 1 0.391 0.008 A 58 GLU HGx H 1 0.350 0.008 A 58 GLU C C 13 179.522 0.179 A 58 GLU CA C 13 58.287 0.179 A 58 GLU CB C 13 27.532 0.179 A 58 GLU CG C 13 33.300 0.179 A 58 GLU N N 15 124.516 0.132 A 59 ARG H H 1 8.321 0.008 A 59 ARG HA H 1 4.140 0.008 A 59 ARG HBx H 1 1.734 0.008 A 59 ARG HBy H 1 2.122 0.008 A 59 ARG HDx H 1 2.533 0.008 A 59 ARG HDy H 1 2.712 0.008 A 59 ARG HGx H 1 1.280 0.008 A 59 ARG HGy H 1 1.280 0.008 A 59 ARG C C 13 178.813 0.179 A 59 ARG CA C 13 60.913 0.179 A 59 ARG CB C 13 31.691 0.179 A 59 ARG CD C 13 43.703 0.179 A 59 ARG CG C 13 30.499 0.179 A 59 ARG N N 15 118.692 0.132 A 60 ALA H H 1 7.484 0.008 A 60 ALA HA H 1 4.083 0.008 A 60 ALA HB% H 1 1.436 0.008 A 60 ALA C C 13 179.753 0.179 A 60 ALA CA C 13 54.800 0.179 A 60 ALA CB C 13 17.898 0.179 A 60 ALA N N 15 120.662 0.132 A 61 LYS H H 1 7.433 0.008 A 61 LYS HA H 1 3.841 0.008 A 61 LYS HBx H 1 1.650 0.008 A 61 LYS HBy H 1 1.650 0.008 A 61 LYS HDx H 1 1.374 0.008 A 61 LYS HDy H 1 1.374 0.008 A 61 LYS HEx H 1 2.574 0.008 A 61 LYS HEy H 1 2.574 0.008 A 61 LYS HGx H 1 1.030 0.008 A 61 LYS HGy H 1 1.300 0.008 A 61 LYS C C 13 177.994 0.179 A 61 LYS CA C 13 58.772 0.179 A 61 LYS CB C 13 32.495 0.179 A 61 LYS CD C 13 29.436 0.179 A 61 LYS CE C 13 41.822 0.179 A 61 LYS CG C 13 24.696 0.179 A 61 LYS N N 15 118.620 0.132 A 62 TRP H H 1 8.003 0.008 A 62 TRP HA H 1 4.327 0.008 A 62 TRP HBx H 1 3.323 0.008 A 62 TRP HBy H 1 3.549 0.008 A 62 TRP HD1 H 1 7.341 0.008 A 62 TRP HE1 H 1 10.244 0.008 A 62 TRP HE3 H 1 7.642 0.008 A 62 TRP HH2 H 1 7.194 0.008 A 62 TRP HZ2 H 1 7.443 0.008 A 62 TRP HZ3 H 1 7.076 0.008 A 62 TRP C C 13 177.118 0.179 A 62 TRP CA C 13 59.336 0.179 A 62 TRP CB C 13 29.119 0.179 A 62 TRP CD1 C 13 124.772 0.179 A 62 TRP CE3 C 13 117.751 0.179 A 62 TRP CH2 C 13 121.731 0.179 A 62 TRP CZ2 C 13 111.808 0.179 A 62 TRP CZ3 C 13 119.037 0.179 A 62 TRP N N 15 120.517 0.132 A 62 TRP NE1 N 15 129.849 0.132 A 63 LYS H H 1 8.045 0.008 A 63 LYS HA H 1 3.795 0.008 A 63 LYS HBx H 1 1.777 0.008 A 63 LYS HBy H 1 1.777 0.008 A 63 LYS HDx H 1 1.601 0.008 A 63 LYS HDy H 1 1.601 0.008 A 63 LYS HEx H 1 2.894 0.008 A 63 LYS HEy H 1 2.894 0.008 A 63 LYS HGx H 1 1.295 0.008 A 63 LYS HGy H 1 1.496 0.008 A 63 LYS C C 13 177.429 0.179 A 63 LYS CA C 13 58.089 0.179 A 63 LYS CB C 13 32.745 0.179 A 63 LYS CD C 13 29.251 0.179 A 63 LYS CE C 13 42.128 0.179 A 63 LYS CG C 13 25.268 0.179 A 63 LYS N N 15 119.074 0.132 A 64 ARG H H 1 7.551 0.008 A 64 ARG HA H 1 4.084 0.008 A 64 ARG HBx H 1 1.798 0.008 A 64 ARG HBy H 1 1.798 0.008 A 64 ARG HDx H 1 3.119 0.008 A 64 ARG HDy H 1 3.119 0.008 A 64 ARG HGx H 1 1.510 0.008 A 64 ARG HGy H 1 1.636 0.008 A 64 ARG C C 13 177.231 0.179 A 64 ARG CA C 13 57.470 0.179 A 64 ARG CB C 13 30.278 0.179 A 64 ARG CD C 13 43.354 0.179 A 64 ARG CG C 13 27.457 0.179 A 64 ARG N N 15 118.825 0.132 A 65 ILE H H 1 7.797 0.008 A 65 ILE HA H 1 3.873 0.008 A 65 ILE HB H 1 1.769 0.008 A 65 ILE HD1% H 1 0.660 0.008 A 65 ILE HG1x H 1 1.062 0.008 A 65 ILE HG1y H 1 1.438 0.008 A 65 ILE HG2% H 1 0.788 0.008 A 65 ILE C C 13 177.198 0.179 A 65 ILE CA C 13 62.392 0.179 A 65 ILE CB C 13 38.398 0.179 A 65 ILE CD1 C 13 13.014 0.179 A 65 ILE CG1 C 13 27.978 0.179 A 65 ILE CG2 C 13 17.325 0.179 A 65 ILE N N 15 120.523 0.132 A 66 LYS H H 1 8.084 0.008 A 66 LYS HA H 1 4.073 0.008 A 66 LYS HBx H 1 1.562 0.008 A 66 LYS HBy H 1 1.629 0.008 A 66 LYS HDx H 1 1.459 0.008 A 66 LYS HDy H 1 1.459 0.008 A 66 LYS HEx H 1 2.768 0.008 A 66 LYS HEy H 1 2.825 0.008 A 66 LYS HGx H 1 1.207 0.008 A 66 LYS HGy H 1 1.207 0.008 A 66 LYS C C 13 176.387 0.179 A 66 LYS CA C 13 56.625 0.179 A 66 LYS CB C 13 32.364 0.179 A 66 LYS CD C 13 28.867 0.179 A 66 LYS CE C 13 42.006 0.179 A 66 LYS CG C 13 24.449 0.179 A 66 LYS N N 15 123.201 0.132 A 67 ALA H H 1 7.900 0.008 A 67 ALA HA H 1 4.202 0.008 A 67 ALA HB% H 1 1.332 0.008 A 67 ALA C C 13 177.870 0.179 A 67 ALA CA C 13 52.583 0.179 A 67 ALA CB C 13 19.086 0.179 A 67 ALA N N 15 123.500 0.132 A 68 GLY H H 1 8.076 0.008 A 68 GLY HAx H 1 3.840 0.008 A 68 GLY HAy H 1 3.840 0.008 A 68 GLY C C 13 173.688 0.179 A 68 GLY CA C 13 45.348 0.179 A 68 GLY N N 15 107.120 0.132 A 69 ASN H H 1 8.155 0.008 A 69 ASN HA H 1 4.683 0.008 A 69 ASN HBx H 1 2.651 0.008 A 69 ASN HBy H 1 2.760 0.008 A 69 ASN HD2y H 1 7.488 0.008 A 69 ASN HD2x H 1 6.825 0.008 A 69 ASN C C 13 174.792 0.179 A 69 ASN CA C 13 53.009 0.179 A 69 ASN CB C 13 39.064 0.179 A 69 ASN N N 15 118.671 0.132 A 69 ASN ND2 N 15 112.735 0.132 A 70 VAL H H 1 8.022 0.008 A 70 VAL HA H 1 4.130 0.008 A 70 VAL HB H 1 2.071 0.008 A 70 VAL HGx% H 1 0.839 0.008 A 70 VAL HGy% H 1 0.857 0.008 A 70 VAL C C 13 175.126 0.179 A 70 VAL CA C 13 62.091 0.179 A 70 VAL CB C 13 32.863 0.179 A 70 VAL CGx C 13 20.166 0.179 A 70 VAL CGy C 13 21.336 0.179 A 70 VAL N N 15 119.480 0.132 A 71 SER H H 1 7.883 0.008 A 71 SER HA H 1 4.180 0.008 A 71 SER CA C 13 59.832 0.179 A 71 SER CB C 13 62.098 0.179 A 71 SER N N 15 124.511 0.132 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 26 PHE HE% A 62 TRP HE1 1.0 . 5.36 2 2 A 62 TRP HE1 A 62 TRP HA 1.0 . 5.50 3 3 A 12 THR HA A 13 ALA H 1.0 . 2.86 4 4 A 13 ALA H A 13 ALA HB% 1.0 . 3.46 5 5 A 13 ALA H A 12 THR HG2% 1.0 . 4.76 6 6 A 54 TRP HA A 58 GLU H 1.0 . 5.50 7 7 A 58 GLU H A 58 GLU HBy 1.0 . 3.63 8 8 A 58 GLU H A 58 GLU HBx 1.0 . 3.61 9 9 A 26 PHE HE% A 58 GLU H 1.0 . 5.31 10 10 A 58 GLU H A 55 PHE H 1.0 . 5.50 11 11 A 58 GLU H A 60 ALA H 1.0 . 4.97 12 12 A 58 GLU H A 55 PHE HA 1.0 . 4.58 13 13 A 69 ASN H A 71 SER H 1.0 . 4.14 14 14 A 71 SER H A 70 VAL HA 1.0 . 3.26 15 15 A 71 SER H A 69 ASN HBy 1.0 . 4.74 16 16 A 71 SER H A 70 VAL HB 1.0 . 4.80 17 17 A 71 SER H A 70 VAL HGy% 1.0 . 5.12 18 18 A 65 ILE HB A 67 ALA H 1.0 . 5.32 19 19 A 67 ALA H A 66 LYS HA 1.0 . 3.36 20 20 A 67 ALA H A 65 ILE HA 1.0 . 5.35 21 21 A 67 ALA H A 65 ILE HG2% 1.0 . 5.50 22 22 A 10 ARG HA A 11 ARG H 1.0 . 3.09 23 23 A 67 ALA H A 66 LYS H 1.0 . 3.79 24 24 A 66 LYS H A 66 LYS HBx 1.0 . 3.13 25 25 A 65 ILE HG2% A 66 LYS H 1.0 . 4.28 26 26 A 48 GLU H A 51 VAL HGy% 1.0 . 5.50 27 27 A 48 GLU H A 47 SER H 1.0 . 5.50 28 28 A 48 GLU H A 47 SER HBy 1.0 . 3.76 29 29 A 48 GLU H A 47 SER HBx 1.0 . 4.18 30 30 A 48 GLU H A 48 GLU HBx 1.0 . 3.31 31 30 A 48 GLU H A 48 GLU HBy 1.0 . 3.31 32 31 A 33 SER H A 36 GLU H 1.0 . 4.13 33 32 A 36 GLU H A 37 ARG H 1.0 . 3.36 34 33 A 36 GLU H A 35 THR H 1.0 . 3.34 35 34 A 36 GLU H A 33 SER HA 1.0 . 5.27 36 35 A 36 GLU H A 33 SER HBy 1.0 . 5.22 37 36 A 36 GLU H A 35 THR HB 1.0 . 3.08 38 37 A 36 GLU H A 36 GLU HGx 1.0 . 2.97 39 37 A 36 GLU H A 36 GLU HGy 1.0 . 2.97 40 38 A 36 GLU H A 36 GLU HBx 1.0 . 3.70 41 39 A 36 GLU H A 34 LEU HBx 1.0 . 5.50 42 40 A 31 TYR HBy A 32 LEU H 1.0 . 4.13 43 41 A 32 LEU H A 32 LEU HBy 1.0 . 3.78 44 42 A 32 LEU H A 32 LEU HG 1.0 . 3.99 45 43 A 32 LEU H A 32 LEU HDy% 1.0 . 4.67 46 44 A 33 SER H A 32 LEU H 1.0 . 5.17 47 45 A 32 LEU H A 31 TYR H 1.0 . 5.43 48 46 A 8 ARG HA A 9 ARG H 1.0 . 3.14 49 47 A 32 LEU H A 55 PHE HBy 1.0 . 5.50 50 48 A 32 LEU H A 32 LEU HBx 1.0 . 4.05 51 49 A 55 PHE H A 54 TRP H 1.0 . 3.68 52 50 A 54 TRP H A 56 GLN H 1.0 . 5.26 53 51 A 54 TRP H A 53 ILE HG1y 1.0 . 5.08 54 52 A 54 TRP H A 53 ILE HD1% 1.0 . 5.41 55 53 A 54 TRP H A 54 TRP HBy 1.0 . 3.39 56 54 A 54 TRP H A 54 TRP HBx 1.0 . 3.38 57 55 A 54 TRP H A 57 ASN HBy 1.0 . 5.40 58 56 A 54 TRP H A 53 ILE HB 1.0 . 3.54 59 57 A 54 TRP H A 53 ILE HG1x 1.0 . 5.50 60 58 A 38 SER HA A 41 ALA H 1.0 . 4.18 61 59 A 41 ALA H A 39 GLN HBy 1.0 . 5.50 62 60 A 41 ALA H A 40 ILE HD1% 1.0 . 4.23 63 61 A 40 ILE HA A 43 ALA H 1.0 . 3.75 64 62 A 43 ALA H A 42 HIS HBx 1.0 . 3.20 65 62 A 43 ALA H A 42 HIS HBy 1.0 . 3.20 66 63 A 41 ALA H A 43 ALA H 1.0 . 3.44 67 64 A 22 LEU H A 22 LEU HBy 1.0 . 3.74 68 65 A 22 LEU H A 22 LEU HG 1.0 . 4.96 69 66 A 40 ILE HD1% A 43 ALA H 1.0 . 5.50 70 67 A 43 ALA H A 44 LEU HG 1.0 . 5.10 71 68 A 37 ARG H A 39 GLN H 1.0 . 4.57 72 69 A 39 GLN H A 40 ILE H 1.0 . 3.11 73 70 A 39 GLN H A 38 SER HBx 1.0 . 3.53 74 71 A 39 GLN HBy A 39 GLN H 1.0 . 2.99 75 72 A 39 GLN H A 40 ILE HB 1.0 . 5.10 76 73 A 39 GLN H A 41 ALA HB% 1.0 . 5.50 77 74 A 39 GLN H A 35 THR HG2% 1.0 . 5.50 78 75 A 33 SER H A 34 LEU H 1.0 . 4.83 79 76 A 36 GLU H A 34 LEU H 1.0 . 5.50 80 77 A 33 SER HBy A 34 LEU H 1.0 . 3.31 81 78 A 34 LEU HBx A 34 LEU H 1.0 . 2.99 82 79 A 40 ILE H A 39 GLN HGy 1.0 . 5.17 83 80 A 39 GLN HBy A 40 ILE H 1.0 . 3.53 84 81 A 40 ILE H A 40 ILE HB 1.0 . 2.93 85 82 A 40 ILE H A 41 ALA HB% 1.0 . 4.91 86 83 A 40 ILE H A 40 ILE HG1x 1.0 . 4.00 87 84 A 22 LEU HBy A 24 LYS H 1.0 . 5.50 88 85 A 28 CYS H A 29 LYS H 1.0 . 3.72 89 86 A 24 LYS H A 23 ARG H 1.0 . 3.20 90 87 A 24 LYS H A 21 GLU H 1.0 . 5.45 91 88 A 24 LYS H A 24 LYS HBx 1.0 . 3.10 92 88 A 24 LYS H A 24 LYS HBy 1.0 . 3.10 93 89 A 24 LYS H A 24 LYS HGx 1.0 . 3.63 94 89 A 24 LYS H A 24 LYS HGy 1.0 . 3.63 95 90 A 24 LYS H A 22 LEU HDy% 1.0 . 5.50 96 91 A 26 PHE H A 27 HIS HA 1.0 . 5.50 97 92 A 26 PHE H A 55 PHE HEy 1.0 . 5.50 98 93 A 23 ARG H A 26 PHE H 1.0 . 4.84 99 94 A 26 PHE H A 26 PHE HDx 1.0 . 5.50 100 95 A 15 THR HG2% A 17 GLU H 1.0 . 5.38 101 96 A 17 GLU H A 20 LEU HDy% 1.0 . 5.50 102 97 A 49 VAL HA A 52 LYS H 1.0 . 4.01 103 98 A 52 LYS H A 37 ARG HDx 1.0 . 4.85 104 98 A 52 LYS H A 37 ARG HDy 1.0 . 4.85 105 99 A 52 LYS H A 52 LYS HGx 1.0 . 4.63 106 100 A 52 LYS H A 53 ILE H 1.0 . 4.01 107 101 A 52 LYS H A 52 LYS HBy 1.0 . 3.22 108 102 A 52 LYS H A 52 LYS HBx 1.0 . 3.48 109 103 A 52 LYS H A 37 ARG HGy 1.0 . 4.94 110 104 A 52 LYS H A 51 VAL HGx% 1.0 . 4.24 111 105 A 17 GLU H A 15 THR HB 1.0 . 3.48 112 106 A 17 GLU H A 15 THR HA 1.0 . 4.92 113 107 A 60 ALA H A 56 GLN HA 1.0 . 5.50 114 108 A 60 ALA H A 59 ARG H 1.0 . 3.46 115 109 A 60 ALA H A 59 ARG HBx 1.0 . 3.82 116 110 A 60 ALA H A 57 ASN HA 1.0 . 3.88 117 111 A 60 ALA H A 58 GLU HA 1.0 . 5.48 118 112 A 60 ALA H A 59 ARG HBy 1.0 . 3.73 119 113 A 58 GLU HBx A 60 ALA H 1.0 . 5.50 120 114 A 59 ARG HA A 62 TRP H 1.0 . 4.28 121 115 A 62 TRP H A 62 TRP HBx 1.0 . 3.43 122 116 A 62 TRP H A 61 LYS HGy 1.0 . 5.50 123 117 A 64 ARG H A 65 ILE H 1.0 . 3.22 124 118 A 62 TRP HA A 65 ILE H 1.0 . 3.99 125 119 A 65 ILE H A 64 ARG HA 1.0 . 3.31 126 120 A 65 ILE H A 65 ILE HG1x 1.0 . 3.65 127 121 A 60 ALA H A 63 LYS H 1.0 . 4.46 128 122 A 62 TRP H A 61 LYS HBx 1.0 . 3.60 129 122 A 62 TRP H A 61 LYS HBy 1.0 . 3.60 130 123 A 66 LYS H A 65 ILE H 1.0 . 3.14 131 124 A 65 ILE HB A 65 ILE H 1.0 . 2.78 132 125 A 65 ILE H A 65 ILE HG1y 1.0 . 3.30 133 126 A 53 ILE H A 51 VAL H 1.0 . 5.50 134 127 A 54 TRP H A 53 ILE H 1.0 . 3.90 135 128 A 53 ILE H A 52 LYS HGy 1.0 . 5.50 136 129 A 24 LYS H A 25 GLU H 1.0 . 4.44 137 130 A 25 GLU H A 25 GLU HGy 1.0 . 4.55 138 131 A 25 GLU H A 25 GLU HBx 1.0 . 3.82 139 131 A 25 GLU H A 25 GLU HBy 1.0 . 3.82 140 132 A 25 GLU H A 24 LYS HBx 1.0 . 4.32 141 132 A 24 LYS HBy A 25 GLU H 1.0 . 4.32 142 133 A 58 GLU H A 57 ASN H 1.0 . 3.43 143 134 A 57 ASN H A 57 ASN HD2x 1.0 . 4.72 144 135 A 57 ASN HBy A 57 ASN H 1.0 . 3.15 145 136 A 57 ASN H A 56 GLN HBx 1.0 . 3.86 146 137 A 57 ASN H A 60 ALA HB% 1.0 . 5.50 147 138 A 57 ASN H A 53 ILE HG2% 1.0 . 5.00 148 139 A 57 ASN H A 57 ASN HD2y 1.0 . 4.28 149 140 A 45 LYS HBx A 46 LEU H 1.0 . 4.28 150 141 A 46 LEU H A 51 VAL HGy% 1.0 . 5.19 151 142 A 46 LEU H A 41 ALA HA 1.0 . 3.83 152 143 A 46 LEU H A 46 LEU HBy 1.0 . 3.57 153 144 A 46 LEU H A 46 LEU HG 1.0 . 3.73 154 145 A 46 LEU H A 46 LEU HBx 1.0 . 3.42 155 146 A 67 ALA HB% A 70 VAL H 1.0 . 5.50 156 147 A 71 SER H A 70 VAL H 1.0 . 3.78 157 148 A 70 VAL H A 69 ASN HA 1.0 . 2.95 158 149 A 69 ASN HBy A 70 VAL H 1.0 . 4.21 159 150 A 70 VAL HB A 70 VAL H 1.0 . 3.88 160 151 A 70 VAL HGy% A 70 VAL H 1.0 . 4.14 161 152 A 37 ARG H A 32 LEU HDx% 1.0 . 5.31 162 153 A 62 TRP HBx A 63 LYS H 1.0 . 4.36 163 154 A 63 LYS H A 62 TRP HBy 1.0 . 3.97 164 155 A 47 SER HBy A 50 GLN H 1.0 . 4.33 165 156 A 47 SER HBx A 50 GLN H 1.0 . 4.50 166 157 A 50 GLN H A 50 GLN HBy 1.0 . 3.17 167 158 A 50 GLN H A 50 GLN HGx 1.0 . 3.25 168 158 A 50 GLN H A 50 GLN HGy 1.0 . 3.25 169 159 A 50 GLN H A 49 VAL HB 1.0 . 3.19 170 160 A 48 GLU H A 50 GLN H 1.0 . 4.73 171 161 A 50 GLN H A 50 GLN HE2y 1.0 . 5.50 172 162 A 33 SER H A 32 LEU HDx% 1.0 . 5.50 173 163 A 33 SER H A 32 LEU HA 1.0 . 3.53 174 164 A 33 SER H A 36 GLU HGx 1.0 . 3.59 175 164 A 33 SER H A 36 GLU HGy 1.0 . 3.59 176 165 A 33 SER H A 32 LEU HBy 1.0 . 4.78 177 166 A 33 SER H A 32 LEU HBx 1.0 . 4.27 178 167 A 37 ARG H A 38 SER H 1.0 . 3.46 179 168 A 37 ARG H A 36 GLU HBy 1.0 . 3.54 180 169 A 37 ARG H A 36 GLU HBx 1.0 . 3.33 181 170 A 37 ARG H A 37 ARG HGy 1.0 . 4.20 182 171 A 37 ARG H A 32 LEU HBx 1.0 . 3.94 183 172 A 37 ARG H A 32 LEU HDy% 1.0 . 5.50 184 173 A 63 LYS H A 63 LYS HDx 1.0 . 4.87 185 173 A 63 LYS H A 63 LYS HDy 1.0 . 4.87 186 174 A 52 LYS H A 51 VAL H 1.0 . 3.50 187 175 A 59 ARG H A 57 ASN HA 1.0 . 5.45 188 176 A 14 PHE H A 15 THR H 1.0 . 4.32 189 177 A 14 PHE H A 14 PHE HDx 1.0 . 4.01 190 178 A 14 PHE H A 13 ALA HA 1.0 . 2.68 191 179 A 14 PHE H A 14 PHE HBx 1.0 . 3.03 192 180 A 14 PHE H A 19 LEU HG 1.0 . 5.20 193 181 A 13 ALA HB% A 14 PHE H 1.0 . 3.64 194 182 A 12 THR HG2% A 14 PHE H 1.0 . 5.45 195 183 A 14 PHE H A 19 LEU HDy% 1.0 . 4.98 196 184 A 14 PHE H A 19 LEU HDx% 1.0 . 4.86 197 185 A 19 LEU H A 20 LEU H 1.0 . 3.38 198 186 A 20 LEU H A 20 LEU HBy 1.0 . 3.08 199 187 A 20 LEU H A 20 LEU HBx 1.0 . 3.13 200 188 A 20 LEU HDy% A 20 LEU H 1.0 . 4.47 201 189 A 64 ARG H A 63 LYS H 1.0 . 3.52 202 190 A 62 TRP HA A 64 ARG H 1.0 . 5.50 203 191 A 64 ARG H A 64 ARG HBx 1.0 . 2.98 204 191 A 64 ARG H A 64 ARG HBy 1.0 . 2.98 205 192 A 55 PHE H A 53 ILE HB 1.0 . 5.50 206 193 A 26 PHE HE% A 59 ARG H 1.0 . 4.51 207 194 A 56 GLN HA A 59 ARG H 1.0 . 4.91 208 195 A 59 ARG H A 59 ARG HBy 1.0 . 3.46 209 196 A 59 ARG H A 59 ARG HBx 1.0 . 4.01 210 197 A 59 ARG H A 59 ARG HGx 1.0 . 4.63 211 197 A 59 ARG H A 59 ARG HGy 1.0 . 4.63 212 198 A 58 GLU HBy A 59 ARG H 1.0 . 4.27 213 199 A 69 ASN H A 70 VAL H 1.0 . 3.95 214 200 A 69 ASN H A 69 ASN HA 1.0 . 2.89 215 201 A 69 ASN H A 69 ASN HBx 1.0 . 3.68 216 202 A 69 ASN H A 67 ALA HB% 1.0 . 5.50 217 203 A 55 PHE H A 22 LEU HG 1.0 . 5.50 218 204 A 62 TRP HBy A 61 LYS H 1.0 . 5.25 219 205 A 62 TRP H A 61 LYS H 1.0 . 3.42 220 206 A 57 ASN HA A 61 LYS H 1.0 . 4.85 221 207 A 58 GLU HA A 61 LYS H 1.0 . 3.88 222 208 A 60 ALA HB% A 61 LYS H 1.0 . 3.72 223 209 A 61 LYS HGy A 61 LYS H 1.0 . 3.77 224 210 A 55 PHE H A 53 ILE H 1.0 . 4.85 225 211 A 55 PHE H A 54 TRP HBy 1.0 . 3.24 226 212 A 55 PHE H A 51 VAL HGx% 1.0 . 5.36 227 213 A 55 PHE H A 55 PHE HD% 1.0 . 3.93 228 214 A 55 PHE H A 52 LYS HA 1.0 . 5.34 229 215 A 20 LEU H A 21 GLU HGx 1.0 . 3.91 230 216 A 14 PHE HA A 18 GLN H 1.0 . 5.37 231 217 A 15 THR H A 18 GLN H 1.0 . 3.98 232 218 A 17 GLU H A 18 GLN H 1.0 . 3.47 233 219 A 18 GLN H A 18 GLN HBx 1.0 . 3.74 234 220 A 18 GLN H A 44 LEU HDy% 1.0 . 5.50 235 221 A 15 THR HB A 18 GLN H 1.0 . 4.09 236 222 A 15 THR HA A 18 GLN H 1.0 . 5.46 237 223 A 18 GLN H A 14 PHE HBy 1.0 . 5.10 238 224 A 18 GLN H A 18 GLN HGy 1.0 . 3.25 239 225 A 18 GLN H A 18 GLN HGx 1.0 . 3.91 240 226 A 18 GLN H A 17 GLU HBy 1.0 . 3.82 241 227 A 18 GLN H A 19 LEU HBy 1.0 . 4.89 242 228 A 15 THR HG2% A 18 GLN H 1.0 . 5.14 243 229 A 56 GLN H A 53 ILE HG2% 1.0 . 5.50 244 230 A 55 PHE H A 56 GLN H 1.0 . 3.56 245 231 A 56 GLN H A 57 ASN H 1.0 . 3.34 246 232 A 58 GLU H A 56 GLN H 1.0 . 4.94 247 233 A 56 GLN H A 53 ILE HA 1.0 . 3.76 248 234 A 55 PHE HBy A 56 GLN H 1.0 . 3.99 249 235 A 56 GLN H A 55 PHE HBx 1.0 . 4.20 250 236 A 41 ALA HB% A 49 VAL H 1.0 . 5.36 251 237 A 52 LYS H A 49 VAL H 1.0 . 5.19 252 238 A 47 SER HBx A 49 VAL H 1.0 . 4.11 253 239 A 48 GLU H A 49 VAL H 1.0 . 3.41 254 240 A 50 GLN H A 49 VAL H 1.0 . 3.21 255 241 A 47 SER HBy A 49 VAL H 1.0 . 3.57 256 242 A 49 VAL HB A 49 VAL H 1.0 . 2.72 257 243 A 21 GLU H A 20 LEU HDy% 1.0 . 5.50 258 244 A 22 LEU H A 21 GLU H 1.0 . 3.60 259 245 A 21 GLU H A 20 LEU H 1.0 . 3.60 260 246 A 21 GLU H A 21 GLU HBx 1.0 . 3.45 261 247 A 31 TYR H A 30 LYS H 1.0 . 3.69 262 248 A 30 LYS H A 30 LYS HGx 1.0 . 4.10 263 249 A 29 LYS H A 30 LYS H 1.0 . 5.10 264 250 A 30 LYS H A 31 TYR HD% 1.0 . 5.50 265 251 A 19 LEU H A 16 SER H 1.0 . 5.03 266 252 A 19 LEU H A 17 GLU HA 1.0 . 5.50 267 253 A 19 LEU H A 18 GLN H 1.0 . 3.48 268 254 A 19 LEU H A 16 SER HBx 1.0 . 4.52 269 254 A 19 LEU H A 16 SER HBy 1.0 . 4.52 270 255 A 19 LEU H A 14 PHE HBy 1.0 . 4.47 271 256 A 19 LEU H A 18 GLN HBy 1.0 . 3.74 272 257 A 19 LEU H A 19 LEU HBx 1.0 . 3.55 273 258 A 17 GLU H A 19 LEU H 1.0 . 5.42 274 259 A 23 ARG H A 23 ARG HBx 1.0 . 3.36 275 259 A 23 ARG H A 23 ARG HBy 1.0 . 3.36 276 260 A 22 LEU HBy A 23 ARG H 1.0 . 4.16 277 261 A 46 LEU H A 45 LYS H 1.0 . 3.18 278 262 A 45 LYS H A 44 LEU HBy 1.0 . 4.49 279 263 A 41 ALA HA A 45 LYS H 1.0 . 5.19 280 264 A 44 LEU HDy% A 45 LYS H 1.0 . 5.10 281 265 A 23 ARG H A 22 LEU HDx% 1.0 . 5.50 282 266 A 15 THR HB A 16 SER H 1.0 . 3.06 283 267 A 16 SER H A 17 GLU HBx 1.0 . 5.50 284 268 A 15 THR HG2% A 16 SER H 1.0 . 4.30 285 269 A 17 GLU H A 16 SER H 1.0 . 3.84 286 270 A 18 GLN H A 16 SER H 1.0 . 5.19 287 271 A 16 SER H A 16 SER HBx 1.0 . 3.64 288 271 A 16 SER H A 16 SER HBy 1.0 . 3.64 289 272 A 18 GLN HGy A 16 SER H 1.0 . 5.50 290 273 A 11 ARG HA A 12 THR H 1.0 . 3.03 291 274 A 12 THR H A 12 THR HB 1.0 . 3.82 292 275 A 12 THR HG2% A 12 THR H 1.0 . 4.83 293 276 A 11 ARG H A 12 THR H 1.0 . 4.82 294 277 A 26 PHE H A 27 HIS H 1.0 . 5.05 295 278 A 27 HIS H A 27 HIS HD2 1.0 . 5.41 296 279 A 28 CYS H A 27 HIS H 1.0 . 4.75 297 280 A 29 LYS H A 27 HIS H 1.0 . 5.50 298 281 A 47 SER H A 51 VAL HGy% 1.0 . 5.50 299 282 A 47 SER H A 46 LEU H 1.0 . 5.41 300 283 A 47 SER H A 50 GLN H 1.0 . 4.33 301 284 A 47 SER H A 50 GLN HA 1.0 . 5.50 302 285 A 47 SER H A 46 LEU HBx 1.0 . 3.90 303 286 A 47 SER H A 47 SER HBy 1.0 . 3.96 304 287 A 47 SER H A 47 SER HBx 1.0 . 3.49 305 288 A 47 SER H A 50 GLN HBy 1.0 . 3.64 306 289 A 47 SER H A 46 LEU HBy 1.0 . 3.36 307 290 A 42 HIS H A 51 VAL HGy% 1.0 . 5.50 308 291 A 42 HIS H A 39 GLN HA 1.0 . 3.60 309 292 A 41 ALA H A 42 HIS H 1.0 . 3.28 310 293 A 46 LEU H A 44 LEU H 1.0 . 3.97 311 294 A 45 LYS H A 44 LEU H 1.0 . 3.12 312 295 A 41 ALA HA A 44 LEU H 1.0 . 4.53 313 296 A 44 LEU HG A 44 LEU H 1.0 . 3.45 314 297 A 28 CYS H A 25 GLU HBx 1.0 . 5.50 315 297 A 28 CYS H A 25 GLU HBy 1.0 . 5.50 316 298 A 15 THR H A 19 LEU HDy% 1.0 . 5.50 317 299 A 35 THR H A 33 SER HA 1.0 . 5.11 318 300 A 35 THR H A 34 LEU H 1.0 . 3.46 319 301 A 35 THR H A 33 SER HBy 1.0 . 3.91 320 302 A 35 THR H A 35 THR HB 1.0 . 2.85 321 303 A 35 THR H A 34 LEU HBx 1.0 . 3.35 322 304 A 35 THR H A 34 LEU HDx% 1.0 . 5.08 323 305 A 15 THR H A 14 PHE HBx 1.0 . 4.50 324 306 A 15 THR H A 18 GLN HBy 1.0 . 3.71 325 307 A 15 THR H A 18 GLN HGx 1.0 . 5.42 326 308 A 15 THR H A 18 GLN HBx 1.0 . 4.74 327 309 A 35 THR H A 36 GLU HGx 1.0 . 4.89 328 309 A 35 THR H A 36 GLU HGy 1.0 . 4.89 329 310 A 38 SER H A 37 ARG HDx 1.0 . 5.50 330 310 A 37 ARG HDy A 38 SER H 1.0 . 5.50 331 311 A 41 ALA H A 38 SER H 1.0 . 5.40 332 312 A 38 SER HBx A 38 SER H 1.0 . 2.91 333 313 A 38 SER H A 37 ARG HBx 1.0 . 3.60 334 314 A 38 SER H A 37 ARG HGx 1.0 . 4.87 335 315 A 31 TYR H A 29 LYS HA 1.0 . 5.26 336 316 A 31 TYR H A 29 LYS HBx 1.0 . 4.89 337 317 A 31 TYR H A 30 LYS HGx 1.0 . 5.50 338 318 A 58 GLU H A 57 ASN HD2y 1.0 . 5.50 339 319 A 54 TRP HA A 57 ASN HD2y 1.0 . 4.77 340 320 A 57 ASN HBy A 57 ASN HD2y 1.0 . 3.54 341 321 A 54 TRP HA A 57 ASN HD2x 1.0 . 5.50 342 322 A 57 ASN HBy A 57 ASN HD2x 1.0 . 3.94 343 323 A 69 ASN HA A 69 ASN HD2y 1.0 . 3.70 344 324 A 69 ASN HBx A 69 ASN HD2y 1.0 . 3.94 345 325 A 50 GLN HE2y A 50 GLN HBx 1.0 . 4.92 346 326 A 50 GLN HBx A 50 GLN HE2x 1.0 . 5.21 347 327 A 69 ASN HA A 69 ASN HD2x 1.0 . 4.04 348 328 A 53 ILE HD1% A 57 ASN HD2x 1.0 . 5.50 349 329 A 50 GLN HE2y A 50 GLN HGx 1.0 . 3.67 350 329 A 50 GLN HGy A 50 GLN HE2y 1.0 . 3.67 351 330 A 47 SER H A 50 GLN HE2x 1.0 . 5.50 352 331 A 50 GLN HE2x A 50 GLN HGx 1.0 . 3.85 353 331 A 50 GLN HGy A 50 GLN HE2x 1.0 . 3.85 354 332 A 50 GLN HE2x A 46 LEU HDx% 1.0 . 4.65 355 333 A 50 GLN HA A 50 GLN HE2x 1.0 . 5.48 356 334 A 36 GLU HA A 39 GLN HE2y 1.0 . 5.49 357 335 A 56 GLN HA A 56 GLN HE2y 1.0 . 5.39 358 336 A 53 ILE HA A 56 GLN HE2y 1.0 . 5.24 359 337 A 56 GLN HE2y A 52 LYS HEx 1.0 . 5.28 360 337 A 56 GLN HE2y A 52 LYS HEy 1.0 . 5.28 361 338 A 56 GLN HE2y A 56 GLN HGy 1.0 . 4.05 362 339 A 56 GLN HE2y A 56 GLN HGx 1.0 . 3.93 363 340 A 56 GLN HE2y A 56 GLN HBy 1.0 . 4.60 364 341 A 52 LYS HGx A 56 GLN HE2y 1.0 . 5.50 365 342 A 53 ILE HG2% A 56 GLN HE2y 1.0 . 5.50 366 343 A 53 ILE HD1% A 56 GLN HE2y 1.0 . 5.49 367 344 A 35 THR HG2% A 39 GLN HE2y 1.0 . 5.10 368 345 A 36 GLU H A 39 GLN HE2y 1.0 . 4.60 369 346 A 40 ILE HD1% A 39 GLN HE2x 1.0 . 5.50 370 347 A 57 ASN HD2y A 56 GLN HE2x 1.0 . 5.08 371 348 A 56 GLN HBx A 56 GLN HE2x 1.0 . 5.41 372 349 A 46 LEU H A 18 GLN HE2y 1.0 . 5.50 373 350 A 18 GLN HE2y A 18 GLN HA 1.0 . 5.50 374 351 A 18 GLN HE2y A 45 LYS HBy 1.0 . 5.14 375 352 A 46 LEU HG A 18 GLN HE2y 1.0 . 4.17 376 353 A 46 LEU HDx% A 18 GLN HE2y 1.0 . 4.53 377 354 A 46 LEU HG A 18 GLN HE2x 1.0 . 4.45 378 355 A 4 GLY H A 5 GLY HAx 1.0 . 4.11 379 355 A 4 GLY H A 5 GLY HAy 1.0 . 4.11 380 356 A 4 GLY H A 5 GLY H 1.0 . 5.27 381 357 A 67 ALA H A 68 GLY H 1.0 . 3.42 382 358 A 67 ALA HB% A 68 GLY HAx 1.0 . 5.16 383 358 A 67 ALA HB% A 68 GLY HAy 1.0 . 5.16 384 359 A 32 LEU HBx A 36 GLU HA 1.0 . 5.21 385 360 A 32 LEU HBy A 36 GLU HBy 1.0 . 4.85 386 361 A 37 ARG H A 32 LEU HBy 1.0 . 4.95 387 362 A 20 LEU HA A 23 ARG HDx 1.0 . 3.95 388 362 A 20 LEU HA A 23 ARG HDy 1.0 . 3.95 389 363 A 19 LEU HDy% A 23 ARG HDx 1.0 . 4.66 390 363 A 19 LEU HDy% A 23 ARG HDy 1.0 . 4.66 391 364 A 59 ARG HA A 59 ARG HDy 1.0 . 5.35 392 365 A 23 ARG H A 23 ARG HDx 1.0 . 4.85 393 365 A 23 ARG H A 23 ARG HDy 1.0 . 4.85 394 366 A 26 PHE HE% A 59 ARG HDy 1.0 . 5.50 395 367 A 26 PHE HE% A 59 ARG HDx 1.0 . 5.31 396 368 A 37 ARG HGy A 37 ARG HDx 1.0 . 2.47 397 368 A 37 ARG HDy A 37 ARG HGy 1.0 . 2.47 398 369 A 18 GLN HGx A 44 LEU HBy 1.0 . 5.11 399 370 A 44 LEU HBy A 44 LEU H 1.0 . 3.69 400 371 A 44 LEU HBy A 46 LEU HDy% 1.0 . 4.41 401 372 A 44 LEU H A 44 LEU HBx 1.0 . 3.94 402 373 A 45 LYS H A 44 LEU HBx 1.0 . 5.24 403 374 A 18 GLN HE2y A 44 LEU HBx 1.0 . 4.85 404 375 A 18 GLN HGx A 44 LEU HBx 1.0 . 4.65 405 376 A 46 LEU HDy% A 44 LEU HBx 1.0 . 4.37 406 377 A 52 LYS HGx A 52 LYS HEx 1.0 . 2.99 407 377 A 52 LYS HGx A 52 LYS HEy 1.0 . 2.99 408 378 A 32 LEU HDy% A 29 LYS HEx 1.0 . 4.49 409 378 A 32 LEU HDy% A 29 LYS HEy 1.0 . 4.49 410 379 A 52 LYS HBy A 52 LYS HEx 1.0 . 3.63 411 379 A 52 LYS HBy A 52 LYS HEy 1.0 . 3.63 412 380 A 20 LEU H A 19 LEU HBx 1.0 . 3.98 413 381 A 19 LEU HBx A 20 LEU HA 1.0 . 5.04 414 382 A 66 LYS HBy A 66 LYS HEy 1.0 . 3.57 415 383 A 61 LYS HA A 61 LYS HEx 1.0 . 5.24 416 383 A 61 LYS HA A 61 LYS HEy 1.0 . 5.24 417 384 A 21 GLU H A 20 LEU HBy 1.0 . 3.93 418 385 A 19 LEU H A 19 LEU HBy 1.0 . 3.27 419 386 A 19 LEU HBy A 16 SER HBx 1.0 . 3.87 420 386 A 19 LEU HBy A 16 SER HBy 1.0 . 3.87 421 387 A 22 LEU H A 20 LEU HBx 1.0 . 4.72 422 388 A 21 GLU H A 20 LEU HBx 1.0 . 3.70 423 389 A 19 LEU HDx% A 19 LEU HBx 1.0 . 3.71 424 390 A 61 LYS HGx A 61 LYS HEx 1.0 . 3.92 425 390 A 61 LYS HEy A 61 LYS HGx 1.0 . 3.92 426 391 A 61 LYS HBx A 61 LYS HEx 1.0 . 3.91 427 391 A 61 LYS HBy A 61 LYS HEx 1.0 . 3.91 428 391 A 61 LYS HEy A 61 LYS HBx 1.0 . 3.91 429 391 A 61 LYS HBy A 61 LYS HEy 1.0 . 3.91 430 392 A 34 LEU HBx A 34 LEU HDy% 1.0 . 3.41 431 393 A 34 LEU H A 34 LEU HBy 1.0 . 3.47 432 394 A 34 LEU HDy% A 34 LEU HBy 1.0 . 3.42 433 395 A 32 LEU H A 31 TYR HBx 1.0 . 4.41 434 396 A 31 TYR H A 31 TYR HBx 1.0 . 3.94 435 397 A 15 THR H A 14 PHE HBy 1.0 . 3.77 436 398 A 14 PHE HBy A 18 GLN HBy 1.0 . 4.15 437 399 A 14 PHE H A 14 PHE HBy 1.0 . 3.79 438 400 A 14 PHE HBx A 19 LEU HG 1.0 . 4.04 439 401 A 13 ALA HA A 14 PHE HBx 1.0 . 5.38 440 402 A 55 PHE H A 55 PHE HBy 1.0 . 3.72 441 403 A 55 PHE HBy A 52 LYS HA 1.0 . 4.80 442 404 A 55 PHE H A 55 PHE HBx 1.0 . 3.73 443 405 A 32 LEU HDx% A 55 PHE HBx 1.0 . 5.50 444 406 A 52 LYS HA A 55 PHE HBx 1.0 . 5.19 445 407 A 55 PHE HEy A 26 PHE HBy 1.0 . 5.44 446 408 A 26 PHE H A 26 PHE HBy 1.0 . 3.88 447 409 A 54 TRP HZ3 A 26 PHE HBy 1.0 . 4.62 448 410 A 54 TRP HZ3 A 26 PHE HBx 1.0 . 5.14 449 411 A 58 GLU HGy A 26 PHE HBx 1.0 . 5.32 450 412 A 26 PHE H A 26 PHE HBx 1.0 . 3.97 451 413 A 23 ARG HA A 26 PHE HBx 1.0 . 4.25 452 414 A 71 SER H A 69 ASN HBx 1.0 . 5.30 453 415 A 70 VAL H A 69 ASN HBx 1.0 . 4.79 454 416 A 67 ALA HB% A 69 ASN HBx 1.0 . 5.50 455 417 A 65 ILE HB A 66 LYS H 1.0 . 3.45 456 418 A 39 GLN HBy A 40 ILE HB 1.0 . 5.32 457 419 A 40 ILE HB A 41 ALA HB% 1.0 . 4.87 458 420 A 40 ILE HB A 51 VAL HGx% 1.0 . 3.98 459 421 A 40 ILE HB A 32 LEU HDx% 1.0 . 5.43 460 422 A 53 ILE HB A 53 ILE H 1.0 . 3.14 461 423 A 53 ILE HB A 50 GLN HA 1.0 . 3.68 462 424 A 41 ALA H A 40 ILE HB 1.0 . 3.50 463 425 A 40 ILE HB A 37 ARG HA 1.0 . 3.98 464 426 A 58 GLU H A 57 ASN HBy 1.0 . 3.93 465 427 A 57 ASN H A 57 ASN HBx 1.0 . 3.38 466 428 A 58 GLU H A 57 ASN HBx 1.0 . 3.88 467 429 A 57 ASN HD2y A 57 ASN HBx 1.0 . 3.72 468 430 A 54 TRP HA A 57 ASN HBx 1.0 . 4.10 469 431 A 53 ILE HG2% A 57 ASN HBx 1.0 . 5.31 470 432 A 56 GLN H A 57 ASN HBy 1.0 . 4.93 471 433 A 54 TRP HA A 57 ASN HBy 1.0 . 4.01 472 434 A 48 GLU H A 48 GLU HGy 1.0 . 3.99 473 435 A 49 VAL H A 48 GLU HGy 1.0 . 4.46 474 436 A 48 GLU HGy A 48 GLU HA 1.0 . 3.82 475 437 A 48 GLU H A 48 GLU HGx 1.0 . 4.37 476 438 A 49 VAL H A 48 GLU HGx 1.0 . 5.11 477 439 A 48 GLU HA A 48 GLU HGx 1.0 . 3.70 478 440 A 48 GLU HGx A 51 VAL HGy% 1.0 . 5.12 479 441 A 38 SER HA A 48 GLU HGy 1.0 . 4.50 480 442 A 32 LEU HDy% A 36 GLU HGx 1.0 . 4.75 481 442 A 36 GLU HGy A 32 LEU HDy% 1.0 . 4.75 482 443 A 32 LEU HG A 36 GLU HGx 1.0 . 5.50 483 443 A 36 GLU HGy A 32 LEU HG 1.0 . 5.50 484 444 A 37 ARG H A 36 GLU HGx 1.0 . 4.56 485 444 A 37 ARG H A 36 GLU HGy 1.0 . 4.56 486 445 A 36 GLU HA A 36 GLU HGx 1.0 . 3.23 487 445 A 36 GLU HGy A 36 GLU HA 1.0 . 3.23 488 446 A 20 LEU HDy% A 17 GLU HGy 1.0 . 5.25 489 447 A 17 GLU H A 17 GLU HGy 1.0 . 4.14 490 448 A 18 GLN H A 17 GLU HGy 1.0 . 4.92 491 449 A 17 GLU HA A 17 GLU HGy 1.0 . 3.55 492 450 A 17 GLU H A 17 GLU HGx 1.0 . 4.19 493 451 A 47 SER H A 50 GLN HGx 1.0 . 4.55 494 451 A 47 SER H A 50 GLN HGy 1.0 . 4.55 495 452 A 46 LEU HA A 50 GLN HGx 1.0 . 3.84 496 452 A 50 GLN HGy A 46 LEU HA 1.0 . 3.84 497 453 A 46 LEU HDx% A 50 GLN HGx 1.0 . 5.30 498 453 A 50 GLN HGy A 46 LEU HDx% 1.0 . 5.30 499 454 A 22 LEU H A 21 GLU HGy 1.0 . 5.28 500 455 A 21 GLU H A 21 GLU HGy 1.0 . 3.75 501 456 A 44 LEU HDy% A 21 GLU HGy 1.0 . 3.98 502 457 A 18 GLN HA A 21 GLU HGy 1.0 . 4.77 503 458 A 20 LEU HBx A 21 GLU HGx 1.0 . 4.95 504 459 A 22 LEU H A 21 GLU HGx 1.0 . 5.50 505 460 A 21 GLU HGx A 21 GLU HA 1.0 . 4.13 506 461 A 21 GLU H A 21 GLU HGx 1.0 . 3.68 507 462 A 30 LYS H A 29 LYS HBy 1.0 . 4.44 508 463 A 31 TYR H A 29 LYS HBy 1.0 . 5.12 509 464 A 32 LEU HDy% A 29 LYS HBy 1.0 . 4.30 510 465 A 29 LYS HBy A 29 LYS HEx 1.0 . 4.95 511 465 A 29 LYS HEy A 29 LYS HBy 1.0 . 4.95 512 466 A 30 LYS H A 29 LYS HBx 1.0 . 4.61 513 467 A 32 LEU HDy% A 29 LYS HBx 1.0 . 4.18 514 468 A 15 THR H A 18 GLN HGy 1.0 . 5.33 515 469 A 18 GLN HGy A 18 GLN HA 1.0 . 3.97 516 470 A 15 THR HG2% A 18 GLN HGy 1.0 . 5.50 517 471 A 44 LEU HDy% A 18 GLN HGy 1.0 . 5.05 518 472 A 15 THR HB A 18 GLN HGy 1.0 . 4.00 519 473 A 18 GLN HGy A 46 LEU HDy% 1.0 . 5.50 520 474 A 19 LEU H A 18 GLN HGy 1.0 . 5.50 521 475 A 18 GLN HGy A 14 PHE HDy 1.0 . 5.50 522 476 A 18 GLN HGx A 46 LEU HDy% 1.0 . 5.27 523 477 A 18 GLN HGx A 18 GLN HE2y 1.0 . 3.77 524 478 A 22 LEU HA A 25 GLU HGx 1.0 . 5.29 525 479 A 44 LEU HDy% A 18 GLN HGx 1.0 . 4.24 526 480 A 25 GLU HGy A 40 ILE HG2% 1.0 . 5.09 527 481 A 13 ALA HB% A 12 THR HB 1.0 . 5.24 528 482 A 57 ASN H A 56 GLN HGy 1.0 . 4.50 529 483 A 56 GLN H A 56 GLN HGy 1.0 . 3.74 530 484 A 57 ASN HD2x A 56 GLN HGy 1.0 . 4.43 531 485 A 53 ILE HA A 56 GLN HGy 1.0 . 4.20 532 486 A 57 ASN H A 56 GLN HGx 1.0 . 4.65 533 487 A 56 GLN H A 56 GLN HGx 1.0 . 3.94 534 488 A 53 ILE HA A 56 GLN HGx 1.0 . 4.47 535 489 A 53 ILE HG2% A 56 GLN HGx 1.0 . 5.50 536 490 A 56 GLN HA A 56 GLN HGx 1.0 . 3.89 537 491 A 13 ALA H A 12 THR HB 1.0 . 3.88 538 492 A 12 THR HA A 12 THR HB 1.0 . 2.90 539 493 A 14 PHE H A 12 THR HB 1.0 . 4.97 540 494 A 56 GLN HA A 56 GLN HGy 1.0 . 3.66 541 495 A 39 GLN H A 39 GLN HGy 1.0 . 3.52 542 496 A 39 GLN HGy A 39 GLN HA 1.0 . 3.58 543 497 A 57 ASN HD2x A 56 GLN HGx 1.0 . 4.42 544 498 A 52 LYS HGx A 56 GLN HGx 1.0 . 5.50 545 499 A 40 ILE H A 39 GLN HGx 1.0 . 4.43 546 500 A 39 GLN H A 39 GLN HGx 1.0 . 3.58 547 501 A 36 GLU HA A 39 GLN HGx 1.0 . 4.07 548 502 A 39 GLN HBy A 39 GLN HGx 1.0 . 2.90 549 503 A 52 LYS HBy A 37 ARG HDx 1.0 . 5.09 550 503 A 37 ARG HDy A 52 LYS HBy 1.0 . 5.09 551 504 A 52 LYS HBx A 37 ARG HDx 1.0 . 5.08 552 504 A 37 ARG HDy A 52 LYS HBx 1.0 . 5.08 553 505 A 52 LYS HBx A 52 LYS HEx 1.0 . 5.34 554 505 A 52 LYS HBx A 52 LYS HEy 1.0 . 5.34 555 506 A 53 ILE H A 52 LYS HBy 1.0 . 3.86 556 507 A 53 ILE H A 52 LYS HBx 1.0 . 4.27 557 508 A 26 PHE HE% A 58 GLU HGx 1.0 . 5.50 558 509 A 63 LYS H A 63 LYS HBx 1.0 . 2.95 559 509 A 63 LYS H A 63 LYS HBy 1.0 . 2.95 560 510 A 64 ARG H A 63 LYS HBx 1.0 . 3.61 561 510 A 64 ARG H A 63 LYS HBy 1.0 . 3.61 562 511 A 63 LYS HA A 63 LYS HBx 1.0 . 2.96 563 511 A 63 LYS HBy A 63 LYS HA 1.0 . 2.96 564 512 A 63 LYS HGy A 63 LYS HBx 1.0 . 2.98 565 512 A 63 LYS HBy A 63 LYS HGy 1.0 . 2.98 566 513 A 35 THR HB A 34 LEU H 1.0 . 4.93 567 514 A 35 THR HB A 36 GLU HGx 1.0 . 4.29 568 514 A 35 THR HB A 36 GLU HGy 1.0 . 4.29 569 515 A 63 LYS HBx A 63 LYS HEx 1.0 . 4.70 570 515 A 63 LYS HBy A 63 LYS HEx 1.0 . 4.70 571 515 A 63 LYS HEy A 63 LYS HBx 1.0 . 4.70 572 515 A 63 LYS HBy A 63 LYS HEy 1.0 . 4.70 573 516 A 30 LYS H A 30 LYS HBy 1.0 . 3.79 574 517 A 31 TYR H A 30 LYS HBy 1.0 . 5.04 575 518 A 31 TYR H A 30 LYS HBx 1.0 . 5.30 576 519 A 61 LYS H A 61 LYS HBx 1.0 . 2.99 577 519 A 61 LYS HBy A 61 LYS H 1.0 . 2.99 578 520 A 62 TRP HA A 61 LYS HBx 1.0 . 4.66 579 520 A 62 TRP HA A 61 LYS HBy 1.0 . 4.66 580 521 A 61 LYS HGy A 61 LYS HBx 1.0 . 2.98 581 521 A 61 LYS HGy A 61 LYS HBy 1.0 . 2.98 582 522 A 65 ILE HD1% A 61 LYS HBx 1.0 . 5.50 583 522 A 61 LYS HBy A 65 ILE HD1% 1.0 . 5.50 584 523 A 67 ALA H A 66 LYS HBx 1.0 . 4.55 585 524 A 51 VAL H A 51 VAL HB 1.0 . 3.22 586 525 A 52 LYS H A 51 VAL HB 1.0 . 3.56 587 526 A 41 ALA HB% A 51 VAL HB 1.0 . 4.36 588 527 A 56 GLN HA A 59 ARG HBx 1.0 . 4.26 589 528 A 56 GLN HA A 59 ARG HBy 1.0 . 4.73 590 529 A 47 SER HBy A 49 VAL HB 1.0 . 4.89 591 530 A 54 TRP H A 51 VAL HA 1.0 . 4.84 592 531 A 26 PHE HE% A 59 ARG HBy 1.0 . 5.34 593 532 A 50 GLN HBx A 51 VAL HA 1.0 . 5.38 594 533 A 32 LEU HBy A 37 ARG HBy 1.0 . 4.84 595 534 A 37 ARG HBx A 37 ARG HDx 1.0 . 3.37 596 534 A 37 ARG HDy A 37 ARG HBx 1.0 . 3.37 597 535 A 36 GLU HBx A 32 LEU HBx 1.0 . 3.61 598 536 A 32 LEU HDx% A 37 ARG HBy 1.0 . 4.82 599 537 A 37 ARG H A 37 ARG HBy 1.0 . 3.64 600 538 A 38 SER H A 37 ARG HBy 1.0 . 3.99 601 539 A 32 LEU HDx% A 37 ARG HBx 1.0 . 4.56 602 540 A 37 ARG H A 37 ARG HBx 1.0 . 3.60 603 541 A 33 SER H A 36 GLU HBy 1.0 . 3.73 604 542 A 36 GLU H A 36 GLU HBy 1.0 . 3.70 605 543 A 32 LEU HDx% A 36 GLU HBy 1.0 . 5.34 606 544 A 36 GLU HBx A 32 LEU HDy% 1.0 . 4.08 607 545 A 36 GLU HBx A 32 LEU HDx% 1.0 . 4.58 608 546 A 33 SER H A 36 GLU HBx 1.0 . 4.03 609 547 A 36 GLU HBy A 39 GLN HE2x 1.0 . 4.45 610 548 A 32 LEU HBx A 36 GLU HBy 1.0 . 3.39 611 549 A 65 ILE H A 64 ARG HBx 1.0 . 3.56 612 549 A 65 ILE H A 64 ARG HBy 1.0 . 3.56 613 550 A 64 ARG HBx A 64 ARG HDx 1.0 . 3.34 614 550 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.34 615 550 A 64 ARG HDy A 64 ARG HBx 1.0 . 3.34 616 550 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.34 617 551 A 20 LEU HA A 23 ARG HBx 1.0 . 3.49 618 551 A 23 ARG HBy A 20 LEU HA 1.0 . 3.49 619 552 A 52 LYS H A 52 LYS HDy 1.0 . 5.16 620 553 A 52 LYS HA A 52 LYS HDy 1.0 . 5.29 621 554 A 52 LYS HA A 52 LYS HDx 1.0 . 5.50 622 555 A 35 THR HG2% A 35 THR HA 1.0 . 4.11 623 556 A 49 VAL HA A 52 LYS HBx 1.0 . 4.50 624 557 A 49 VAL HA A 52 LYS HBy 1.0 . 3.75 625 558 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.99 626 559 A 49 VAL HA A 52 LYS HEx 1.0 . 4.96 627 559 A 49 VAL HA A 52 LYS HEy 1.0 . 4.96 628 560 A 44 LEU HDy% A 21 GLU HBx 1.0 . 3.76 629 561 A 52 LYS HBy A 52 LYS HDy 1.0 . 3.91 630 562 A 52 LYS HBy A 52 LYS HDx 1.0 . 3.87 631 563 A 47 SER H A 50 GLN HBx 1.0 . 4.11 632 564 A 22 LEU H A 21 GLU HBy 1.0 . 4.20 633 565 A 21 GLU H A 21 GLU HBy 1.0 . 3.65 634 566 A 44 LEU HDy% A 21 GLU HBy 1.0 . 3.59 635 567 A 22 LEU H A 21 GLU HBx 1.0 . 3.98 636 568 A 21 GLU HBx A 18 GLN HA 1.0 . 4.49 637 569 A 40 ILE H A 40 ILE HG1y 1.0 . 3.48 638 570 A 39 GLN H A 40 ILE HG1y 1.0 . 5.05 639 571 A 40 ILE HA A 40 ILE HG1y 1.0 . 3.66 640 572 A 40 ILE HA A 40 ILE HG1x 1.0 . 3.78 641 573 A 40 ILE HG1x A 32 LEU HDx% 1.0 . 5.50 642 574 A 40 ILE HG1x A 25 GLU HGx 1.0 . 5.27 643 575 A 50 GLN HBy A 46 LEU HA 1.0 . 5.33 644 576 A 46 LEU HBx A 50 GLN HBy 1.0 . 4.57 645 577 A 50 GLN HBy A 50 GLN HE2y 1.0 . 5.50 646 578 A 50 GLN H A 50 GLN HBx 1.0 . 3.51 647 579 A 29 LYS HA A 29 LYS HDx 1.0 . 4.70 648 579 A 29 LYS HA A 29 LYS HDy 1.0 . 4.70 649 580 A 61 LYS HA A 61 LYS HDx 1.0 . 4.34 650 580 A 61 LYS HA A 61 LYS HDy 1.0 . 4.34 651 581 A 60 ALA HA A 63 LYS HDx 1.0 . 4.33 652 581 A 63 LYS HDy A 60 ALA HA 1.0 . 4.33 653 582 A 63 LYS HDx A 63 LYS HEx 1.0 . 2.97 654 582 A 63 LYS HDy A 63 LYS HEx 1.0 . 2.97 655 582 A 63 LYS HEy A 63 LYS HDx 1.0 . 2.97 656 582 A 63 LYS HDy A 63 LYS HEy 1.0 . 2.97 657 583 A 29 LYS HGy A 29 LYS HDx 1.0 . 2.67 658 583 A 29 LYS HDy A 29 LYS HGy 1.0 . 2.67 659 584 A 62 TRP H A 61 LYS HDx 1.0 . 5.47 660 584 A 62 TRP H A 61 LYS HDy 1.0 . 5.47 661 585 A 61 LYS H A 61 LYS HDx 1.0 . 4.30 662 585 A 61 LYS H A 61 LYS HDy 1.0 . 4.30 663 586 A 26 PHE HE% A 62 TRP HBy 1.0 . 5.45 664 587 A 62 TRP HBy A 26 PHE HZ 1.0 . 4.68 665 588 A 62 TRP H A 62 TRP HBy 1.0 . 3.32 666 589 A 53 ILE HG1y A 53 ILE H 1.0 . 3.55 667 590 A 53 ILE HG1y A 53 ILE HA 1.0 . 3.58 668 591 A 53 ILE HG1x A 50 GLN HA 1.0 . 5.24 669 592 A 53 ILE HG1x A 53 ILE H 1.0 . 3.77 670 593 A 53 ILE HG1x A 53 ILE HA 1.0 . 3.56 671 594 A 53 ILE HG1x A 52 LYS HEx 1.0 . 5.04 672 594 A 53 ILE HG1x A 52 LYS HEy 1.0 . 5.04 673 595 A 47 SER HBx A 49 VAL HB 1.0 . 4.63 674 596 A 62 TRP HBx A 62 TRP HE3 1.0 . 4.17 675 597 A 17 GLU H A 17 GLU HBy 1.0 . 3.52 676 598 A 49 VAL H A 48 GLU HBx 1.0 . 3.78 677 598 A 48 GLU HBy A 49 VAL H 1.0 . 3.78 678 599 A 23 ARG H A 23 ARG HGy 1.0 . 4.36 679 600 A 17 GLU H A 17 GLU HBx 1.0 . 3.51 680 601 A 18 GLN H A 17 GLU HBx 1.0 . 3.95 681 602 A 15 THR HB A 17 GLU HBx 1.0 . 4.07 682 603 A 18 GLN HGx A 17 GLU HBx 1.0 . 3.36 683 604 A 23 ARG HGx A 54 TRP HZ2 1.0 . 4.60 684 605 A 23 ARG H A 23 ARG HGx 1.0 . 4.14 685 606 A 23 ARG HA A 23 ARG HGx 1.0 . 4.08 686 607 A 47 SER HBy A 51 VAL HGy% 1.0 . 5.42 687 608 A 54 TRP HBy A 22 LEU HG 1.0 . 5.45 688 609 A 54 TRP HBy A 51 VAL HA 1.0 . 4.03 689 610 A 54 TRP HBy A 22 LEU HDx% 1.0 . 5.50 690 611 A 55 PHE H A 54 TRP HBx 1.0 . 4.26 691 612 A 54 TRP HBx A 22 LEU HDx% 1.0 . 5.50 692 613 A 54 TRP HBx A 53 ILE HG2% 1.0 . 5.50 693 614 A 26 PHE H A 27 HIS HBx 1.0 . 5.20 694 614 A 26 PHE H A 27 HIS HBy 1.0 . 5.20 695 615 A 42 HIS H A 42 HIS HBx 1.0 . 2.79 696 615 A 42 HIS HBy A 42 HIS H 1.0 . 2.79 697 616 A 54 TRP HZ3 A 23 ARG HGy 1.0 . 5.42 698 617 A 66 LYS H A 66 LYS HDx 1.0 . 5.01 699 617 A 66 LYS H A 66 LYS HDy 1.0 . 5.01 700 618 A 66 LYS HA A 66 LYS HDx 1.0 . 3.97 701 618 A 66 LYS HA A 66 LYS HDy 1.0 . 3.97 702 619 A 43 ALA HB% A 42 HIS HBx 1.0 . 4.82 703 619 A 42 HIS HBy A 43 ALA HB% 1.0 . 4.82 704 620 A 56 GLN H A 56 GLN HBy 1.0 . 3.23 705 621 A 53 ILE HA A 56 GLN HBy 1.0 . 3.97 706 622 A 56 GLN HGx A 56 GLN HBy 1.0 . 2.99 707 623 A 26 PHE H A 25 GLU HBx 1.0 . 4.75 708 623 A 26 PHE H A 25 GLU HBy 1.0 . 4.75 709 624 A 57 ASN HD2x A 56 GLN HBx 1.0 . 5.49 710 625 A 40 ILE HA A 39 GLN HBx 1.0 . 4.51 711 626 A 40 ILE HD1% A 40 ILE HA 1.0 . 4.13 712 627 A 53 ILE HG2% A 56 GLN HBy 1.0 . 5.50 713 628 A 58 GLU H A 56 GLN HBx 1.0 . 5.38 714 629 A 56 GLN HBx A 53 ILE HG2% 1.0 . 5.50 715 630 A 45 LYS HBx A 44 LEU H 1.0 . 5.16 716 631 A 53 ILE HD1% A 53 ILE HA 1.0 . 4.32 717 632 A 39 GLN HBy A 35 THR HG2% 1.0 . 5.44 718 633 A 46 LEU H A 45 LYS HBy 1.0 . 4.70 719 634 A 45 LYS HBy A 18 GLN HE2x 1.0 . 5.12 720 635 A 46 LEU HDx% A 45 LYS HBy 1.0 . 5.50 721 636 A 45 LYS HBx A 45 LYS H 1.0 . 4.16 722 637 A 40 ILE H A 39 GLN HBx 1.0 . 3.57 723 638 A 18 GLN HBx A 22 LEU HDx% 1.0 . 5.31 724 639 A 18 GLN HBy A 46 LEU HDx% 1.0 . 5.50 725 640 A 18 GLN H A 18 GLN HBy 1.0 . 3.80 726 641 A 66 LYS H A 65 ILE HG1y 1.0 . 4.25 727 642 A 14 PHE HA A 18 GLN HBx 1.0 . 4.69 728 643 A 18 GLN HBx A 14 PHE HBy 1.0 . 4.69 729 644 A 54 TRP HA A 53 ILE HG2% 1.0 . 4.64 730 645 A 44 LEU HDy% A 18 GLN HBy 1.0 . 5.50 731 646 A 37 ARG HGy A 37 ARG HA 1.0 . 4.06 732 647 A 37 ARG HGy A 32 LEU HDx% 1.0 . 5.06 733 648 A 37 ARG HGy A 51 VAL HB 1.0 . 4.37 734 649 A 37 ARG HGy A 51 VAL HGx% 1.0 . 4.28 735 650 A 62 TRP HA A 65 ILE HG1y 1.0 . 4.44 736 651 A 37 ARG H A 37 ARG HGx 1.0 . 5.13 737 652 A 32 LEU HDy% A 37 ARG HGx 1.0 . 5.50 738 653 A 32 LEU HDx% A 37 ARG HGx 1.0 . 5.09 739 654 A 37 ARG HGx A 51 VAL HGx% 1.0 . 4.56 740 655 A 66 LYS H A 65 ILE HG1x 1.0 . 5.40 741 656 A 65 ILE H A 64 ARG HGy 1.0 . 4.96 742 657 A 64 ARG H A 64 ARG HGy 1.0 . 3.91 743 658 A 58 GLU HBy A 55 PHE HA 1.0 . 4.38 744 659 A 64 ARG H A 64 ARG HGx 1.0 . 4.10 745 660 A 61 LYS HA A 64 ARG HGx 1.0 . 4.74 746 661 A 58 GLU HBx A 55 PHE HA 1.0 . 4.77 747 662 A 55 PHE HA A 55 PHE HD% 1.0 . 4.23 748 663 A 35 THR H A 34 LEU HG 1.0 . 5.50 749 664 A 34 LEU H A 34 LEU HG 1.0 . 3.69 750 665 A 19 LEU HG A 14 PHE HBy 1.0 . 2.79 751 666 A 21 GLU H A 20 LEU HG 1.0 . 5.38 752 667 A 20 LEU HA A 20 LEU HG 1.0 . 4.18 753 668 A 19 LEU HG A 19 LEU H 1.0 . 3.50 754 669 A 50 GLN HBy A 46 LEU HDy% 1.0 . 4.58 755 670 A 50 GLN HBx A 46 LEU HDy% 1.0 . 5.38 756 671 A 38 SER H A 38 SER HBy 1.0 . 3.22 757 672 A 41 ALA HB% A 38 SER HBy 1.0 . 5.26 758 673 A 44 LEU HG A 45 LYS H 1.0 . 5.50 759 674 A 47 SER H A 46 LEU HDy% 1.0 . 4.98 760 675 A 46 LEU H A 46 LEU HDy% 1.0 . 4.58 761 676 A 18 GLN HE2y A 46 LEU HDy% 1.0 . 4.57 762 677 A 18 GLN HE2x A 46 LEU HDy% 1.0 . 5.50 763 678 A 46 LEU HDy% A 46 LEU HA 1.0 . 4.15 764 679 A 41 ALA HA A 46 LEU HDy% 1.0 . 4.10 765 680 A 46 LEU HBy A 46 LEU HDy% 1.0 . 3.15 766 681 A 46 LEU HBx A 46 LEU HDy% 1.0 . 3.47 767 682 A 65 ILE HA A 65 ILE HG1y 1.0 . 3.63 768 683 A 65 ILE HA A 65 ILE HG1x 1.0 . 3.41 769 684 A 32 LEU H A 32 LEU HDx% 1.0 . 4.70 770 685 A 32 LEU HDx% A 55 PHE HD% 1.0 . 5.13 771 686 A 32 LEU HDx% A 55 PHE HEx 1.0 . 4.72 772 687 A 32 LEU HDx% A 32 LEU HA 1.0 . 5.50 773 688 A 32 LEU HBy A 32 LEU HDx% 1.0 . 3.94 774 689 A 32 LEU HBx A 32 LEU HDx% 1.0 . 3.81 775 690 A 70 VAL HA A 70 VAL HGx% 1.0 . 4.06 776 691 A 16 SER HA A 16 SER HBx 1.0 . 2.40 777 691 A 16 SER HBy A 16 SER HA 1.0 . 2.40 778 692 A 47 SER H A 46 LEU HG 1.0 . 5.09 779 693 A 21 GLU H A 44 LEU HDx% 1.0 . 5.36 780 694 A 22 LEU HA A 44 LEU HDx% 1.0 . 4.97 781 695 A 18 GLN HBy A 44 LEU HDx% 1.0 . 5.20 782 696 A 22 LEU H A 44 LEU HDx% 1.0 . 4.25 783 697 A 44 LEU H A 44 LEU HDx% 1.0 . 4.02 784 698 A 44 LEU HDx% A 44 LEU HA 1.0 . 4.27 785 699 A 18 GLN HA A 44 LEU HDx% 1.0 . 4.05 786 700 A 44 LEU HBy A 44 LEU HDx% 1.0 . 3.35 787 701 A 44 LEU HBx A 44 LEU HDx% 1.0 . 3.30 788 702 A 22 LEU HDx% A 44 LEU HDx% 1.0 . 4.53 789 703 A 17 GLU H A 16 SER HBx 1.0 . 4.44 790 703 A 17 GLU H A 16 SER HBy 1.0 . 4.44 791 704 A 15 THR HB A 16 SER HBx 1.0 . 4.14 792 704 A 15 THR HB A 16 SER HBy 1.0 . 4.14 793 705 A 19 LEU HDy% A 16 SER HBx 1.0 . 4.16 794 705 A 19 LEU HDy% A 16 SER HBy 1.0 . 4.16 795 706 A 46 LEU HG A 45 LYS H 1.0 . 5.41 796 707 A 38 SER HA A 48 GLU HGx 1.0 . 3.87 797 708 A 22 LEU H A 22 LEU HDy% 1.0 . 3.80 798 709 A 22 LEU HDy% A 44 LEU HDx% 1.0 . 3.97 799 710 A 12 THR HA A 13 ALA HB% 1.0 . 4.62 800 711 A 12 THR HA A 14 PHE H 1.0 . 5.22 801 712 A 12 THR HA A 12 THR HG2% 1.0 . 3.29 802 713 A 63 LYS H A 63 LYS HGy 1.0 . 3.95 803 714 A 63 LYS HGy A 62 TRP HE3 1.0 . 5.04 804 715 A 63 LYS HA A 63 LYS HGy 1.0 . 3.98 805 716 A 60 ALA HA A 63 LYS HGx 1.0 . 5.50 806 717 A 63 LYS H A 63 LYS HGx 1.0 . 4.18 807 718 A 59 ARG HA A 62 TRP HBx 1.0 . 4.18 808 719 A 59 ARG HA A 59 ARG HGx 1.0 . 3.98 809 719 A 59 ARG HA A 59 ARG HGy 1.0 . 3.98 810 720 A 51 VAL H A 48 GLU HA 1.0 . 3.98 811 721 A 41 ALA HB% A 48 GLU HA 1.0 . 3.49 812 722 A 48 GLU HA A 51 VAL HGy% 1.0 . 4.02 813 723 A 52 LYS H A 48 GLU HA 1.0 . 4.73 814 724 A 52 LYS HGy A 52 LYS HEx 1.0 . 4.00 815 724 A 52 LYS HGy A 52 LYS HEy 1.0 . 4.00 816 725 A 63 LYS HGx A 63 LYS HEx 1.0 . 3.95 817 725 A 63 LYS HEy A 63 LYS HGx 1.0 . 3.95 818 726 A 59 ARG HA A 62 TRP HBy 1.0 . 3.99 819 727 A 59 ARG HA A 26 PHE HZ 1.0 . 3.86 820 728 A 46 LEU H A 45 LYS HGx 1.0 . 4.75 821 728 A 46 LEU H A 45 LYS HGy 1.0 . 4.75 822 729 A 19 LEU HDy% A 19 LEU H 1.0 . 4.10 823 730 A 19 LEU HDy% A 54 TRP HZ2 1.0 . 4.58 824 731 A 19 LEU HDy% A 14 PHE HBy 1.0 . 3.96 825 732 A 14 PHE HBx A 19 LEU HDy% 1.0 . 3.92 826 733 A 19 LEU HDy% A 19 LEU HBx 1.0 . 3.45 827 734 A 19 LEU HDy% A 54 TRP HE1 1.0 . 4.54 828 735 A 19 LEU HDy% A 19 LEU HBy 1.0 . 3.15 829 736 A 52 LYS HGx A 53 ILE H 1.0 . 5.31 830 737 A 29 LYS HGx A 29 LYS HEx 1.0 . 3.62 831 737 A 29 LYS HEy A 29 LYS HGx 1.0 . 3.62 832 738 A 45 LYS H A 45 LYS HGx 1.0 . 3.59 833 738 A 45 LYS H A 45 LYS HGy 1.0 . 3.59 834 739 A 45 LYS HA A 45 LYS HGx 1.0 . 3.27 835 739 A 45 LYS HGy A 45 LYS HA 1.0 . 3.27 836 740 A 19 LEU HDy% A 22 LEU HDx% 1.0 . 5.11 837 741 A 19 LEU HDy% A 14 PHE HDy 1.0 . 5.50 838 742 A 20 LEU HDy% A 17 GLU HA 1.0 . 3.60 839 743 A 61 LYS HGy A 61 LYS HDx 1.0 . 2.40 840 743 A 61 LYS HGy A 61 LYS HDy 1.0 . 2.40 841 744 A 61 LYS HGy A 61 LYS HA 1.0 . 3.92 842 745 A 61 LYS H A 61 LYS HGx 1.0 . 4.43 843 746 A 61 LYS HA A 61 LYS HGx 1.0 . 4.09 844 747 A 61 LYS HGx A 65 ILE HD1% 1.0 . 5.50 845 748 A 20 LEU HDy% A 20 LEU HBx 1.0 . 3.19 846 749 A 15 THR HA A 16 SER HA 1.0 . 4.50 847 750 A 15 THR HA A 16 SER H 1.0 . 3.02 848 751 A 15 THR HB A 15 THR HA 1.0 . 2.85 849 752 A 29 LYS H A 29 LYS HGy 1.0 . 5.50 850 753 A 29 LYS HGy A 29 LYS HEx 1.0 . 4.10 851 753 A 29 LYS HEy A 29 LYS HGy 1.0 . 4.10 852 754 A 32 LEU HDy% A 29 LYS HGy 1.0 . 5.35 853 755 A 31 TYR H A 29 LYS HGx 1.0 . 5.50 854 756 A 23 ARG H A 20 LEU HDx% 1.0 . 5.50 855 757 A 41 ALA H A 37 ARG HA 1.0 . 5.27 856 758 A 31 TYR H A 29 LYS HGy 1.0 . 5.45 857 759 A 67 ALA H A 66 LYS HGx 1.0 . 4.99 858 759 A 67 ALA H A 66 LYS HGy 1.0 . 4.99 859 760 A 66 LYS H A 66 LYS HGx 1.0 . 3.79 860 760 A 66 LYS H A 66 LYS HGy 1.0 . 3.79 861 761 A 66 LYS HDx A 66 LYS HGx 1.0 . 2.96 862 761 A 66 LYS HDy A 66 LYS HGx 1.0 . 2.96 863 761 A 66 LYS HGy A 66 LYS HDx 1.0 . 2.96 864 761 A 66 LYS HDy A 66 LYS HGy 1.0 . 2.96 865 762 A 34 LEU H A 34 LEU HDx% 1.0 . 4.40 866 763 A 34 LEU HDx% A 34 LEU HA 1.0 . 3.26 867 764 A 21 GLU H A 20 LEU HDx% 1.0 . 5.09 868 765 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.21 869 766 A 20 LEU HBx A 20 LEU HDx% 1.0 . 2.89 870 767 A 30 LYS H A 30 LYS HGy 1.0 . 4.71 871 768 A 52 LYS HA A 37 ARG HDx 1.0 . 4.86 872 768 A 37 ARG HDy A 52 LYS HA 1.0 . 4.86 873 769 A 20 LEU H A 17 GLU HA 1.0 . 4.62 874 770 A 17 GLU HA A 17 GLU HGx 1.0 . 3.49 875 771 A 17 GLU HA A 17 GLU HBx 1.0 . 3.00 876 772 A 20 LEU HBy A 17 GLU HA 1.0 . 3.26 877 773 A 26 PHE H A 23 ARG HA 1.0 . 4.71 878 774 A 54 TRP HZ3 A 23 ARG HA 1.0 . 3.58 879 775 A 23 ARG HA A 26 PHE HBy 1.0 . 3.44 880 776 A 32 LEU HDy% A 37 ARG HA 1.0 . 5.50 881 777 A 40 ILE H A 37 ARG HA 1.0 . 4.34 882 778 A 37 ARG HGx A 37 ARG HA 1.0 . 4.08 883 779 A 37 ARG HA A 51 VAL HGx% 1.0 . 4.11 884 780 A 32 LEU HDx% A 37 ARG HA 1.0 . 3.57 885 781 A 33 SER HA A 34 LEU HDy% 1.0 . 5.20 886 782 A 20 LEU H A 20 LEU HDx% 1.0 . 4.61 887 783 A 20 LEU HDx% A 23 ARG HDx 1.0 . 4.65 888 783 A 23 ARG HDy A 20 LEU HDx% 1.0 . 4.65 889 784 A 22 LEU H A 22 LEU HDx% 1.0 . 4.65 890 785 A 14 PHE HDx A 22 LEU HDx% 1.0 . 5.24 891 786 A 52 LYS HGy A 52 LYS HA 1.0 . 3.58 892 787 A 52 LYS HGx A 52 LYS HA 1.0 . 3.82 893 788 A 52 LYS HA A 51 VAL HGx% 1.0 . 4.55 894 789 A 35 THR H A 34 LEU HDy% 1.0 . 5.50 895 790 A 34 LEU H A 34 LEU HDy% 1.0 . 4.44 896 791 A 34 LEU HDy% A 34 LEU HA 1.0 . 3.15 897 792 A 18 GLN HBy A 22 LEU HDx% 1.0 . 5.50 898 793 A 22 LEU HBy A 22 LEU HDx% 1.0 . 4.03 899 794 A 56 GLN H A 52 LYS HA 1.0 . 4.69 900 795 A 55 PHE HD% A 52 LYS HA 1.0 . 5.50 901 796 A 23 ARG H A 24 LYS HA 1.0 . 4.82 902 797 A 19 LEU HDx% A 54 TRP HE1 1.0 . 3.44 903 798 A 19 LEU HDx% A 19 LEU H 1.0 . 4.18 904 799 A 19 LEU HDx% A 54 TRP HZ2 1.0 . 3.95 905 800 A 19 LEU HDx% A 19 LEU HA 1.0 . 3.02 906 801 A 14 PHE HBx A 19 LEU HDx% 1.0 . 3.70 907 802 A 19 LEU HDx% A 19 LEU HBy 1.0 . 3.56 908 803 A 19 LEU HDx% A 14 PHE HBy 1.0 . 3.78 909 804 A 19 LEU HDx% A 22 LEU HDx% 1.0 . 3.85 910 805 A 47 SER H A 46 LEU HDx% 1.0 . 3.88 911 806 A 50 GLN HBy A 46 LEU HDx% 1.0 . 4.20 912 807 A 62 TRP HA A 65 ILE HB 1.0 . 3.66 913 808 A 62 TRP HA A 65 ILE HG1x 1.0 . 4.93 914 809 A 56 GLN HA A 59 ARG HA 1.0 . 5.46 915 810 A 50 GLN HBy A 51 VAL HGy% 1.0 . 4.72 916 811 A 52 LYS H A 51 VAL HGy% 1.0 . 4.57 917 812 A 41 ALA H A 51 VAL HGy% 1.0 . 3.94 918 813 A 51 VAL H A 51 VAL HGy% 1.0 . 3.06 919 814 A 46 LEU HA A 51 VAL HGy% 1.0 . 4.99 920 815 A 51 VAL HA A 51 VAL HGy% 1.0 . 2.87 921 816 A 40 ILE HB A 51 VAL HGy% 1.0 . 4.28 922 817 A 46 LEU HBy A 51 VAL HGy% 1.0 . 3.63 923 818 A 46 LEU HBx A 51 VAL HGy% 1.0 . 3.40 924 819 A 46 LEU HDy% A 51 VAL HGy% 1.0 . 3.38 925 820 A 22 LEU HDx% A 51 VAL HGy% 1.0 . 4.97 926 821 A 46 LEU H A 46 LEU HDx% 1.0 . 4.43 927 822 A 50 GLN HE2y A 46 LEU HDx% 1.0 . 5.12 928 823 A 46 LEU HDx% A 18 GLN HE2x 1.0 . 3.70 929 824 A 46 LEU HDx% A 46 LEU HA 1.0 . 2.98 930 825 A 50 GLN HBx A 46 LEU HDx% 1.0 . 4.31 931 826 A 46 LEU HBx A 46 LEU HDx% 1.0 . 4.06 932 827 A 54 TRP H A 50 GLN HA 1.0 . 4.65 933 828 A 53 ILE H A 50 GLN HA 1.0 . 4.41 934 829 A 50 GLN HE2y A 50 GLN HA 1.0 . 4.70 935 830 A 50 GLN HA A 50 GLN HGx 1.0 . 3.20 936 830 A 50 GLN HGy A 50 GLN HA 1.0 . 3.20 937 831 A 39 GLN HA A 42 HIS HBx 1.0 . 3.36 938 831 A 42 HIS HBy A 39 GLN HA 1.0 . 3.36 939 832 A 39 GLN HA A 39 GLN HGx 1.0 . 3.47 940 833 A 28 CYS H A 25 GLU HA 1.0 . 5.33 941 834 A 61 LYS HA A 60 ALA HA 1.0 . 4.71 942 835 A 21 GLU H A 18 GLN HA 1.0 . 4.44 943 836 A 18 GLN HGx A 18 GLN HA 1.0 . 3.63 944 837 A 46 LEU H A 42 HIS HA 1.0 . 4.01 945 838 A 42 HIS HA A 42 HIS HBx 1.0 . 2.87 946 838 A 42 HIS HBy A 42 HIS HA 1.0 . 2.87 947 839 A 41 ALA HB% A 42 HIS HA 1.0 . 4.88 948 840 A 45 LYS H A 42 HIS HA 1.0 . 4.36 949 841 A 35 THR HG2% A 36 GLU HA 1.0 . 5.50 950 842 A 61 LYS HA A 64 ARG HBx 1.0 . 3.51 951 842 A 64 ARG HBy A 61 LYS HA 1.0 . 3.51 952 843 A 61 LYS HA A 64 ARG HDx 1.0 . 4.58 953 843 A 61 LYS HA A 64 ARG HDy 1.0 . 4.58 954 844 A 61 LYS HA A 61 LYS HBx 1.0 . 2.83 955 844 A 61 LYS HBy A 61 LYS HA 1.0 . 2.83 956 845 A 22 LEU HDy% A 18 GLN HA 1.0 . 4.86 957 846 A 47 SER HBy A 49 VAL HGy% 1.0 . 4.90 958 847 A 49 VAL HGy% A 52 LYS HEx 1.0 . 4.19 959 847 A 52 LYS HEy A 49 VAL HGy% 1.0 . 4.19 960 848 A 49 VAL H A 49 VAL HGy% 1.0 . 3.14 961 849 A 50 GLN H A 49 VAL HGy% 1.0 . 4.09 962 850 A 52 LYS HDy A 49 VAL HGy% 1.0 . 4.64 963 851 A 44 LEU HDy% A 44 LEU H 1.0 . 3.78 964 852 A 21 GLU H A 44 LEU HDy% 1.0 . 4.88 965 853 A 44 LEU HDy% A 18 GLN HA 1.0 . 3.58 966 854 A 44 LEU HDy% A 22 LEU HDx% 1.0 . 4.97 967 855 A 44 LEU HDy% A 44 LEU HA 1.0 . 2.84 968 856 A 21 GLU HGx A 44 LEU HDy% 1.0 . 3.38 969 857 A 44 LEU HDy% A 44 LEU HBx 1.0 . 3.23 970 858 A 32 LEU HDy% A 32 LEU HBx 1.0 . 3.58 971 859 A 33 SER H A 32 LEU HDy% 1.0 . 4.59 972 860 A 21 GLU HGy A 21 GLU HA 1.0 . 4.25 973 861 A 21 GLU HBx A 21 GLU HA 1.0 . 2.99 974 862 A 44 LEU HDy% A 21 GLU HA 1.0 . 5.50 975 863 A 26 PHE HE% A 58 GLU HA 1.0 . 5.36 976 864 A 55 PHE HD% A 51 VAL HGx% 1.0 . 3.53 977 865 A 55 PHE HEx A 51 VAL HGx% 1.0 . 3.91 978 866 A 51 VAL HA A 51 VAL HGx% 1.0 . 3.12 979 867 A 40 ILE HG2% A 51 VAL HGx% 1.0 . 3.98 980 868 A 22 LEU HDx% A 51 VAL HGx% 1.0 . 5.49 981 869 A 54 TRP HBy A 51 VAL HGx% 1.0 . 4.40 982 870 A 41 ALA H A 51 VAL HGx% 1.0 . 5.33 983 871 A 32 LEU HDy% A 36 GLU HBy 1.0 . 4.24 984 872 A 32 LEU HDy% A 29 LYS HDx 1.0 . 3.44 985 872 A 32 LEU HDy% A 29 LYS HDy 1.0 . 3.44 986 873 A 32 LEU HDy% A 55 PHE HEx 1.0 . 4.47 987 874 A 32 LEU HDy% A 32 LEU HA 1.0 . 3.30 988 875 A 22 LEU HG A 55 PHE HEx 1.0 . 3.52 989 876 A 22 LEU HG A 22 LEU HA 1.0 . 2.86 990 877 A 22 LEU HG A 51 VAL HGx% 1.0 . 3.29 991 878 A 21 GLU HA A 20 LEU HDx% 1.0 . 4.38 992 879 A 23 ARG H A 20 LEU HA 1.0 . 4.05 993 880 A 22 LEU HA A 25 GLU HBx 1.0 . 3.79 994 880 A 25 GLU HBy A 22 LEU HA 1.0 . 3.79 995 881 A 22 LEU HDx% A 22 LEU HA 1.0 . 4.72 996 882 A 25 GLU HGy A 22 LEU HA 1.0 . 4.94 997 883 A 22 LEU HDy% A 22 LEU HA 1.0 . 4.14 998 884 A 58 GLU HA A 61 LYS HEx 1.0 . 4.45 999 884 A 58 GLU HA A 61 LYS HEy 1.0 . 4.45 1000 885 A 58 GLU HA A 61 LYS HBx 1.0 . 3.43 1001 885 A 58 GLU HA A 61 LYS HBy 1.0 . 3.43 1002 886 A 58 GLU HA A 61 LYS HDx 1.0 . 3.97 1003 886 A 58 GLU HA A 61 LYS HDy 1.0 . 3.97 1004 887 A 58 GLU HA A 58 GLU HGx 1.0 . 3.56 1005 888 A 66 LYS HBx A 63 LYS HA 1.0 . 3.64 1006 889 A 63 LYS HA A 63 LYS HGx 1.0 . 3.78 1007 890 A 19 LEU HA A 22 LEU HBx 1.0 . 4.75 1008 891 A 19 LEU HG A 19 LEU HA 1.0 . 4.12 1009 892 A 22 LEU HDy% A 19 LEU HA 1.0 . 5.50 1010 893 A 22 LEU HBy A 19 LEU HA 1.0 . 3.70 1011 894 A 22 LEU HDx% A 19 LEU HA 1.0 . 3.92 1012 895 A 54 TRP HE1 A 19 LEU HA 1.0 . 5.20 1013 896 A 15 THR HG2% A 18 GLN HE2x 1.0 . 5.00 1014 897 A 35 THR HG2% A 39 GLN HGx 1.0 . 4.89 1015 898 A 35 THR H A 35 THR HG2% 1.0 . 3.78 1016 899 A 36 GLU H A 35 THR HG2% 1.0 . 4.25 1017 900 A 35 THR HG2% A 39 GLN HGy 1.0 . 4.63 1018 901 A 35 THR HG2% A 36 GLU HGx 1.0 . 4.61 1019 901 A 36 GLU HGy A 35 THR HG2% 1.0 . 4.61 1020 902 A 15 THR HG2% A 15 THR H 1.0 . 3.00 1021 903 A 15 THR HG2% A 14 PHE HA 1.0 . 3.91 1022 904 A 15 THR HG2% A 15 THR HA 1.0 . 3.10 1023 905 A 15 THR HG2% A 18 GLN HGx 1.0 . 5.12 1024 906 A 64 ARG HA A 64 ARG HDx 1.0 . 4.21 1025 906 A 64 ARG HA A 64 ARG HDy 1.0 . 4.21 1026 907 A 64 ARG HA A 64 ARG HBx 1.0 . 2.77 1027 907 A 64 ARG HA A 64 ARG HBy 1.0 . 2.77 1028 908 A 64 ARG HA A 64 ARG HGy 1.0 . 3.55 1029 909 A 64 ARG HA A 64 ARG HGx 1.0 . 3.43 1030 910 A 44 LEU H A 45 LYS HA 1.0 . 4.22 1031 911 A 46 LEU H A 45 LYS HA 1.0 . 3.21 1032 912 A 45 LYS H A 45 LYS HA 1.0 . 2.78 1033 913 A 52 LYS HBy A 49 VAL HGx% 1.0 . 5.38 1034 914 A 50 GLN H A 49 VAL HGx% 1.0 . 3.47 1035 915 A 47 SER HBy A 49 VAL HGx% 1.0 . 4.65 1036 916 A 50 GLN HA A 49 VAL HGx% 1.0 . 3.94 1037 917 A 49 VAL HGx% A 52 LYS HEx 1.0 . 4.53 1038 917 A 52 LYS HEy A 49 VAL HGx% 1.0 . 4.53 1039 918 A 53 ILE HG1y A 49 VAL HGx% 1.0 . 4.24 1040 919 A 49 VAL HGx% A 50 GLN HGx 1.0 . 4.39 1041 919 A 50 GLN HGy A 49 VAL HGx% 1.0 . 4.39 1042 920 A 52 LYS HGx A 49 VAL HGx% 1.0 . 4.20 1043 921 A 48 GLU H A 47 SER HA 1.0 . 3.01 1044 922 A 33 SER HA A 34 LEU H 1.0 . 3.06 1045 923 A 33 SER HA A 33 SER HBy 1.0 . 2.91 1046 924 A 66 LYS HA A 66 LYS HBy 1.0 . 2.92 1047 925 A 66 LYS HA A 66 LYS HGx 1.0 . 3.46 1048 925 A 66 LYS HA A 66 LYS HGy 1.0 . 3.46 1049 926 A 66 LYS HA A 65 ILE HG2% 1.0 . 4.32 1050 927 A 32 LEU H A 31 TYR HA 1.0 . 3.07 1051 928 A 30 LYS HGx A 31 TYR HA 1.0 . 4.60 1052 929 A 15 THR HA A 14 PHE HA 1.0 . 4.44 1053 930 A 14 PHE HDx A 14 PHE HA 1.0 . 3.81 1054 931 A 15 THR H A 14 PHE HA 1.0 . 3.00 1055 932 A 14 PHE HA A 18 GLN HBy 1.0 . 4.04 1056 933 A 30 LYS H A 29 LYS HA 1.0 . 2.89 1057 934 A 30 LYS HGx A 29 LYS HA 1.0 . 4.57 1058 935 A 29 LYS HA A 29 LYS HGy 1.0 . 3.70 1059 936 A 14 PHE HA A 46 LEU HDx% 1.0 . 4.62 1060 937 A 12 THR HG2% A 11 ARG HA 1.0 . 5.50 1061 938 A 6 LYS HA A 5 GLY HAx 1.0 . 4.09 1062 938 A 5 GLY HAy A 6 LYS HA 1.0 . 4.09 1063 939 A 29 LYS HA A 29 LYS HBy 1.0 . 2.80 1064 940 A 70 VAL H A 70 VAL HGx% 1.0 . 4.78 1065 941 A 6 LYS HA A 7 SER H 1.0 . 3.37 1066 942 A 30 LYS HGx A 30 LYS HA 1.0 . 3.66 1067 943 A 41 ALA HA A 40 ILE HG2% 1.0 . 5.47 1068 944 A 41 ALA HA A 46 LEU HBx 1.0 . 3.35 1069 945 A 41 ALA HA A 51 VAL HGy% 1.0 . 3.47 1070 946 A 41 ALA HA A 44 LEU HDx% 1.0 . 4.92 1071 947 A 13 ALA HB% A 14 PHE HA 1.0 . 4.95 1072 948 A 57 ASN HA A 57 ASN HD2y 1.0 . 3.84 1073 949 A 57 ASN HA A 57 ASN HD2x 1.0 . 4.95 1074 950 A 13 ALA HB% A 12 THR HG2% 1.0 . 3.25 1075 951 A 43 ALA HA A 42 HIS HBx 1.0 . 4.69 1076 951 A 42 HIS HBy A 43 ALA HA 1.0 . 4.69 1077 952 A 67 ALA HB% A 68 GLY H 1.0 . 3.95 1078 953 A 67 ALA H A 67 ALA HB% 1.0 . 3.08 1079 954 A 65 ILE HA A 67 ALA HB% 1.0 . 5.04 1080 955 A 65 ILE HG2% A 67 ALA HB% 1.0 . 4.68 1081 956 A 60 ALA HA A 63 LYS HBx 1.0 . 3.35 1082 956 A 63 LYS HBy A 60 ALA HA 1.0 . 3.35 1083 957 A 63 LYS H A 60 ALA HA 1.0 . 3.89 1084 958 A 44 LEU HG A 44 LEU HA 1.0 . 3.91 1085 959 A 44 LEU HA A 43 ALA HA 1.0 . 5.12 1086 960 A 39 GLN HBy A 43 ALA HB% 1.0 . 5.50 1087 961 A 43 ALA H A 43 ALA HB% 1.0 . 2.96 1088 962 A 44 LEU H A 43 ALA HB% 1.0 . 3.39 1089 963 A 40 ILE HA A 43 ALA HB% 1.0 . 3.33 1090 964 A 39 GLN HGy A 43 ALA HB% 1.0 . 5.50 1091 965 A 44 LEU HG A 43 ALA HB% 1.0 . 4.09 1092 966 A 44 LEU HDy% A 43 ALA HB% 1.0 . 4.16 1093 967 A 18 GLN HGx A 44 LEU HA 1.0 . 4.82 1094 968 A 41 ALA H A 43 ALA HB% 1.0 . 4.52 1095 969 A 60 ALA HB% A 57 ASN HBx 1.0 . 5.28 1096 970 A 56 GLN HBx A 60 ALA HB% 1.0 . 5.29 1097 971 A 60 ALA H A 60 ALA HB% 1.0 . 2.77 1098 972 A 57 ASN HA A 60 ALA HB% 1.0 . 3.26 1099 973 A 58 GLU HA A 60 ALA HB% 1.0 . 5.22 1100 974 A 60 ALA HB% A 63 LYS HBx 1.0 . 3.88 1101 974 A 60 ALA HB% A 63 LYS HBy 1.0 . 3.88 1102 975 A 40 ILE HD1% A 25 GLU HGy 1.0 . 4.84 1103 976 A 40 ILE HD1% A 40 ILE H 1.0 . 3.64 1104 977 A 40 ILE HD1% A 25 GLU HGx 1.0 . 4.56 1105 978 A 40 ILE HD1% A 40 ILE HB 1.0 . 3.13 1106 979 A 40 ILE HD1% A 32 LEU HDx% 1.0 . 4.34 1107 980 A 48 GLU H A 41 ALA HB% 1.0 . 4.26 1108 981 A 47 SER H A 41 ALA HB% 1.0 . 5.11 1109 982 A 41 ALA H A 41 ALA HB% 1.0 . 2.87 1110 983 A 41 ALA HB% A 42 HIS H 1.0 . 3.12 1111 984 A 41 ALA HB% A 51 VAL H 1.0 . 4.31 1112 985 A 38 SER HA A 41 ALA HB% 1.0 . 3.41 1113 986 A 41 ALA HB% A 42 HIS HBx 1.0 . 4.59 1114 986 A 42 HIS HBy A 41 ALA HB% 1.0 . 4.59 1115 987 A 41 ALA HB% A 48 GLU HGy 1.0 . 3.89 1116 988 A 41 ALA HB% A 48 GLU HGx 1.0 . 3.59 1117 989 A 41 ALA HB% A 51 VAL HGy% 1.0 . 3.24 1118 990 A 53 ILE H A 53 ILE HG2% 1.0 . 3.91 1119 991 A 54 TRP H A 53 ILE HG2% 1.0 . 3.85 1120 992 A 53 ILE HG2% A 57 ASN HD2y 1.0 . 3.74 1121 993 A 57 ASN HD2x A 53 ILE HG2% 1.0 . 3.50 1122 994 A 53 ILE HG2% A 53 ILE HA 1.0 . 3.14 1123 995 A 57 ASN HBy A 53 ILE HG2% 1.0 . 4.63 1124 996 A 53 ILE HG1y A 53 ILE HG2% 1.0 . 3.54 1125 997 A 53 ILE HG1x A 53 ILE HG2% 1.0 . 3.32 1126 998 A 53 ILE HD1% A 53 ILE HG2% 1.0 . 2.94 1127 999 A 65 ILE HG2% A 65 ILE H 1.0 . 3.90 1128 1000 A 65 ILE HA A 65 ILE HG2% 1.0 . 3.08 1129 1001 A 65 ILE HG2% A 65 ILE HG1y 1.0 . 3.66 1130 1002 A 65 ILE HG2% A 65 ILE HG1x 1.0 . 3.27 1131 1003 A 65 ILE HG2% A 62 TRP HE3 1.0 . 5.50 1132 1004 A 62 TRP HA A 65 ILE HG2% 1.0 . 5.06 1133 1005 A 68 GLY H A 67 ALA HA 1.0 . 3.45 1134 1006 A 65 ILE HG2% A 67 ALA HA 1.0 . 5.50 1135 1007 A 47 SER H A 46 LEU HA 1.0 . 3.03 1136 1008 A 69 ASN HA A 69 ASN HBx 1.0 . 2.86 1137 1009 A 12 THR HG2% A 13 ALA HA 1.0 . 5.33 1138 1010 A 14 PHE HDx A 13 ALA HA 1.0 . 4.97 1139 1011 A 13 ALA HA A 14 PHE HA 1.0 . 4.51 1140 1012 A 40 ILE H A 40 ILE HG2% 1.0 . 4.29 1141 1013 A 37 ARG HA A 40 ILE HG2% 1.0 . 4.87 1142 1014 A 40 ILE HG2% A 43 ALA HB% 1.0 . 5.50 1143 1015 A 40 ILE HG2% A 55 PHE HEx 1.0 . 4.94 1144 1016 A 40 ILE HA A 40 ILE HG2% 1.0 . 4.19 1145 1017 A 40 ILE HG2% A 25 GLU HBx 1.0 . 3.69 1146 1017 A 25 GLU HBy A 40 ILE HG2% 1.0 . 3.69 1147 1018 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.15 1148 1019 A 40 ILE HG1x A 40 ILE HG2% 1.0 . 3.35 1149 1020 A 32 LEU HDx% A 40 ILE HG2% 1.0 . 3.83 1150 1021 A 65 ILE H A 65 ILE HD1% 1.0 . 4.29 1151 1022 A 65 ILE HA A 65 ILE HD1% 1.0 . 3.88 1152 1023 A 65 ILE HD1% A 61 LYS HEx 1.0 . 4.90 1153 1023 A 61 LYS HEy A 65 ILE HD1% 1.0 . 4.90 1154 1024 A 65 ILE HB A 65 ILE HD1% 1.0 . 3.27 1155 1025 A 65 ILE HG2% A 65 ILE HD1% 1.0 . 2.97 1156 1026 A 66 LYS H A 65 ILE HD1% 1.0 . 5.50 1157 1027 A 62 TRP HA A 65 ILE HD1% 1.0 . 3.96 1158 1028 A 53 ILE HD1% A 53 ILE H 1.0 . 4.08 1159 1029 A 53 ILE HD1% A 52 LYS HEx 1.0 . 4.59 1160 1029 A 53 ILE HD1% A 52 LYS HEy 1.0 . 4.59 1161 1030 A 53 ILE HD1% A 53 ILE HB 1.0 . 3.27 1162 1031 A 53 ILE HD1% A 49 VAL HGx% 1.0 . 2.77 1163 1032 A 62 TRP HBx A 65 ILE HD1% 1.0 . 5.24 1164 1033 A 53 ILE HD1% A 50 GLN HA 1.0 . 4.18 1165 1034 A 46 LEU HBy A 50 GLN HBx 1.0 . 4.87 1166 1035 A 46 LEU HBx A 44 LEU H 1.0 . 5.07 1167 1036 A 51 VAL H A 46 LEU HBy 1.0 . 5.02 1168 1037 A 41 ALA HA A 46 LEU HBy 1.0 . 4.40 1169 1038 A 46 LEU HBy A 46 LEU HDx% 1.0 . 4.01 1170 1039 A 46 LEU HBy A 50 GLN HBy 1.0 . 4.55 1171 1040 A 32 LEU H A 31 TYR HD% 1.0 . 4.48 1172 1041 A 31 TYR HD% A 31 TYR HA 1.0 . 3.90 1173 1042 A 31 TYR H A 31 TYR HD% 1.0 . 3.68 1174 1043 A 31 TYR HD% A 30 LYS HBy 1.0 . 4.02 1175 1044 A 31 TYR HD% A 30 LYS HBx 1.0 . 4.45 1176 1045 A 58 GLU HGx A 26 PHE HDy 1.0 . 4.83 1177 1045 A 26 PHE HDx A 58 GLU HGx 1.0 . 4.83 1178 1046 A 26 PHE HA A 26 PHE HDy 1.0 . 4.55 1179 1046 A 26 PHE HDx A 26 PHE HA 1.0 . 4.55 1180 1047 A 62 TRP HD1 A 26 PHE HDy 1.0 . 5.41 1181 1047 A 26 PHE HDx A 62 TRP HD1 1.0 . 5.41 1182 1048 A 55 PHE HD% A 55 PHE HEx 1.0 . 2.89 1183 1049 A 55 PHE HEy A 55 PHE HD% 1.0 . 4.11 1184 1050 A 22 LEU HG A 55 PHE HD% 1.0 . 4.28 1185 1051 A 55 PHE HBx A 55 PHE HEx 1.0 . 4.99 1186 1052 A 55 PHE HEx A 51 VAL HGy% 1.0 . 4.08 1187 1052 A 55 PHE HEx A 51 VAL HGx% 1.0 . 4.08 1188 1053 A 55 PHE HD% A 51 VAL HGy% 1.0 . 3.98 1189 1053 A 55 PHE HD% A 51 VAL HGx% 1.0 . 3.98 1190 1054 A 46 LEU HDy% A 14 PHE HDy 1.0 . 3.78 1191 1055 A 22 LEU HDx% A 14 PHE HDy 1.0 . 3.94 1192 1056 A 19 LEU HG A 14 PHE HDy 1.0 . 5.10 1193 1057 A 14 PHE HA A 14 PHE HDy 1.0 . 4.48 1194 1058 A 19 LEU HDx% A 14 PHE HDy 1.0 . 3.52 1195 1059 A 14 PHE HDy A 54 TRP HD1 1.0 . 4.40 1196 1060 A 14 PHE HDx A 54 TRP HD1 1.0 . 4.49 1197 1061 A 13 ALA HB% A 14 PHE HDx 1.0 . 5.50 1198 1062 A 14 PHE HDx A 46 LEU HDx% 1.0 . 3.36 1199 1063 A 14 PHE HDx A 46 LEU HDy% 1.0 . 3.82 1200 1064 A 26 PHE HE% A 60 ALA H 1.0 . 5.15 1201 1065 A 26 PHE HE% A 62 TRP HE3 1.0 . 4.60 1202 1066 A 26 PHE HE% A 59 ARG HA 1.0 . 4.47 1203 1067 A 26 PHE HE% A 55 PHE HA 1.0 . 4.91 1204 1068 A 26 PHE HE% A 62 TRP HBx 1.0 . 4.75 1205 1069 A 26 PHE HE% A 59 ARG HGx 1.0 . 4.14 1206 1069 A 26 PHE HE% A 59 ARG HGy 1.0 . 4.14 1207 1070 A 26 PHE HE% A 58 GLU HBx 1.0 . 5.50 1208 1071 A 55 PHE HEy A 25 GLU HBx 1.0 . 3.40 1209 1071 A 55 PHE HEy A 25 GLU HBy 1.0 . 3.40 1210 1072 A 55 PHE HEy A 40 ILE HG2% 1.0 . 4.81 1211 1073 A 32 LEU HDy% A 55 PHE HEy 1.0 . 4.03 1212 1074 A 55 PHE HEy A 26 PHE HA 1.0 . 4.91 1213 1075 A 55 PHE HEy A 25 GLU HGy 1.0 . 5.26 1214 1076 A 55 PHE HEy A 32 LEU HDx% 1.0 . 4.76 1215 1077 A 55 PHE HEy A 51 VAL HGy% 1.0 . 5.50 1216 1077 A 55 PHE HEy A 51 VAL HGx% 1.0 . 5.50 1217 1078 A 50 GLN HBy A 14 PHE HE% 1.0 . 5.05 1218 1079 A 54 TRP HD1 A 14 PHE HE% 1.0 . 5.03 1219 1080 A 14 PHE HE% A 51 VAL HGy% 1.0 . 5.19 1220 1080 A 51 VAL HGx% A 14 PHE HE% 1.0 . 5.19 1221 1081 A 54 TRP HBx A 14 PHE HE% 1.0 . 4.27 1222 1082 A 14 PHE HDy A 14 PHE HE% 1.0 . 2.91 1223 1083 A 54 TRP HBy A 14 PHE HE% 1.0 . 4.71 1224 1084 A 50 GLN HBx A 14 PHE HE% 1.0 . 4.01 1225 1085 A 54 TRP H A 14 PHE HE% 1.0 . 4.87 1226 1086 A 46 LEU HDy% A 14 PHE HE% 1.0 . 5.50 1227 1087 A 12 THR HB A 14 PHE HE% 1.0 . 5.30 1228 1088 A 50 GLN HA A 14 PHE HE% 1.0 . 5.32 1229 1089 A 59 ARG H A 26 PHE HZ 1.0 . 4.81 1230 1090 A 26 PHE HZ A 59 ARG HGx 1.0 . 5.35 1231 1090 A 59 ARG HGy A 26 PHE HZ 1.0 . 5.35 1232 1091 A 62 TRP HBx A 26 PHE HZ 1.0 . 4.62 1233 1092 A 58 GLU HBy A 26 PHE HZ 1.0 . 5.23 1234 1093 A 58 GLU HGx A 26 PHE HZ 1.0 . 5.46 1235 1094 A 65 ILE HD1% A 62 TRP HD1 1.0 . 5.03 1236 1095 A 62 TRP HBx A 62 TRP HD1 1.0 . 3.65 1237 1096 A 26 PHE HE% A 62 TRP HD1 1.0 . 4.87 1238 1097 A 62 TRP HA A 62 TRP HD1 1.0 . 3.92 1239 1098 A 57 ASN HBy A 54 TRP HD1 1.0 . 5.50 1240 1099 A 54 TRP HA A 54 TRP HD1 1.0 . 4.45 1241 1100 A 19 LEU HDx% A 54 TRP HD1 1.0 . 4.67 1242 1101 A 54 TRP HZ3 A 23 ARG HGx 1.0 . 5.36 1243 1102 A 54 TRP HZ3 A 26 PHE HBx 1.0 . 4.61 1244 1102 A 54 TRP HZ3 A 26 PHE HBy 1.0 . 4.61 1245 1103 A 58 GLU HBy A 54 TRP HZ3 1.0 . 4.80 1246 1104 A 54 TRP HZ3 A 22 LEU HBx 1.0 . 5.50 1247 1105 A 22 LEU HDy% A 54 TRP HZ3 1.0 . 5.46 1248 1106 A 63 LYS HGx A 62 TRP HZ3 1.0 . 5.50 1249 1107 A 62 TRP HZ3 A 63 LYS HEx 1.0 . 5.50 1250 1107 A 63 LYS HEy A 62 TRP HZ3 1.0 . 5.50 1251 1108 A 65 ILE HB A 62 TRP HZ3 1.0 . 5.50 1252 1109 A 65 ILE HG2% A 62 TRP HZ3 1.0 . 4.85 1253 1110 A 27 HIS HD2 A 26 PHE HBx 1.0 . 5.26 1254 1110 A 27 HIS HD2 A 26 PHE HBy 1.0 . 5.26 1255 1111 A 63 LYS H A 62 TRP HE3 1.0 . 4.32 1256 1112 A 62 TRP HA A 62 TRP HE3 1.0 . 4.05 1257 1113 A 63 LYS HA A 62 TRP HE3 1.0 . 5.00 1258 1114 A 62 TRP HBy A 62 TRP HE3 1.0 . 3.74 1259 1115 A 65 ILE HB A 62 TRP HE3 1.0 . 4.35 1260 1116 A 62 TRP HE3 A 63 LYS HGx 1.0 . 4.25 1261 1117 A 65 ILE HD1% A 62 TRP HE3 1.0 . 5.50 1262 1118 A 42 HIS H A 42 HIS HD2 1.0 . 5.37 1263 1119 A 42 HIS HA A 42 HIS HD2 1.0 . 4.41 1264 1120 A 43 ALA HA A 42 HIS HD2 1.0 . 4.60 1265 1121 A 42 HIS HD2 A 42 HIS HBx 1.0 . 3.85 1266 1121 A 42 HIS HBy A 42 HIS HD2 1.0 . 3.85 1267 1122 A 43 ALA HB% A 42 HIS HD2 1.0 . 5.50 1268 1123 A 30 LYS HGx A 31 TYR HE% 1.0 . 5.50 1269 1124 A 30 LYS HBy A 31 TYR HE% 1.0 . 4.45 1270 1125 A 23 ARG HGy A 54 TRP HZ2 1.0 . 4.30 1271 1126 A 54 TRP HZ2 A 22 LEU HBx 1.0 . 5.50 stop_ save_