data_nef_c18789_2m01 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 4 CYS SG 1 54 CYS SG 1 29 CYS SG 1 50 CYS SG 1 51 CYS SG 1 59 CYS SG stop_ 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 LYS start . . 2 A 2 LYS middle . . 3 A 3 LYS middle . . 4 A 4 CYS middle -HG . 5 A 5 GLN middle . . 6 A 6 LEU middle . . 7 A 7 PRO middle . false 8 A 8 SER middle . . 9 A 9 ASP middle . . 10 A 10 VAL middle . . 11 A 11 GLY middle . false 12 A 12 LYS middle . . 13 A 13 GLY middle . false 14 A 14 LYS middle . . 15 A 15 ALA middle . . 16 A 16 SER middle . . 17 A 17 PHE middle . . 18 A 18 THR middle . . 19 A 19 ARG middle . . 20 A 20 TYR middle . . 21 A 21 TYR middle . . 22 A 22 TYR middle . . 23 A 23 ASN middle . . 24 A 24 GLU middle . . 25 A 25 GLU middle . . 26 A 26 SER middle . . 27 A 27 GLY middle . false 28 A 28 LYS middle . . 29 A 29 CYS middle -HG . 30 A 30 GLU middle . . 31 A 31 THR middle . . 32 A 32 PHE middle . . 33 A 33 ILE middle . . 34 A 34 TYR middle . . 35 A 35 GLY middle . false 36 A 36 GLY middle . false 37 A 37 VAL middle . . 38 A 38 GLY middle . false 39 A 39 GLY middle . false 40 A 40 ASN middle . . 41 A 41 SER middle . . 42 A 42 ASN middle . . 43 A 43 ASN middle . . 44 A 44 PHE middle . . 45 A 45 LEU middle . . 46 A 46 THR middle . . 47 A 47 LYS middle . . 48 A 48 GLU middle . . 49 A 49 ASP middle . . 50 A 50 CYS middle -HG . 51 A 51 CYS middle -HG . 52 A 52 ARG middle . . 53 A 53 GLU middle . . 54 A 54 CYS middle -HG . 55 A 55 ALA middle . . 56 A 56 GLN middle . . 57 A 57 GLY middle . false 58 A 58 SER middle . . 59 A 59 CYS end -HG . 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 LYS H1 H 1 8.755 0.009 A 1 LYS HA H 1 4.220 0.009 A 1 LYS HB2 H 1 1.790 0.009 A 1 LYS HB3 H 1 1.724 0.009 A 1 LYS HDx H 1 1.655 0.009 A 1 LYS HDy H 1 1.655 0.009 A 1 LYS HEx H 1 2.951 0.009 A 1 LYS HEy H 1 2.951 0.009 A 1 LYS HG2 H 1 1.509 0.009 A 1 LYS HG3 H 1 1.377 0.009 A 1 LYS CA C 13 53.549 0.403 A 1 LYS CB C 13 30.701 0.403 A 1 LYS CD C 13 26.723 0.403 A 1 LYS CE C 13 39.414 0.403 A 1 LYS CG C 13 22.612 0.403 A 1 LYS N N 15 124.048 0.266 A 2 LYS H H 1 8.427 0.009 A 2 LYS HA H 1 3.940 0.009 A 2 LYS HB2 H 1 1.750 0.009 A 2 LYS HB3 H 1 1.708 0.009 A 2 LYS HDx H 1 1.600 0.009 A 2 LYS HDy H 1 1.600 0.009 A 2 LYS HEx H 1 2.840 0.009 A 2 LYS HEy H 1 2.840 0.009 A 2 LYS HG2 H 1 1.439 0.009 A 2 LYS HG3 H 1 1.383 0.009 A 2 LYS CA C 13 55.888 0.403 A 2 LYS CB C 13 29.130 0.403 A 2 LYS CD C 13 25.849 0.403 A 2 LYS CE C 13 39.225 0.403 A 2 LYS CG C 13 22.168 0.403 A 2 LYS N N 15 124.137 0.266 A 3 LYS H H 1 8.330 0.009 A 3 LYS HA H 1 3.901 0.009 A 3 LYS HB2 H 1 1.762 0.009 A 3 LYS HB3 H 1 1.708 0.009 A 3 LYS HDx H 1 1.600 0.009 A 3 LYS HDy H 1 1.600 0.009 A 3 LYS HE2 H 1 2.907 0.009 A 3 LYS HE3 H 1 2.850 0.009 A 3 LYS HG2 H 1 1.433 0.009 A 3 LYS HG3 H 1 1.375 0.009 A 3 LYS CA C 13 55.805 0.403 A 3 LYS CB C 13 29.212 0.403 A 3 LYS CD C 13 25.801 0.403 A 3 LYS CE C 13 39.483 0.403 A 3 LYS CG C 13 22.243 0.403 A 3 LYS N N 15 117.027 0.266 A 4 CYS H H 1 7.202 0.009 A 4 CYS HA H 1 4.373 0.009 A 4 CYS HB2 H 1 2.897 0.009 A 4 CYS HB3 H 1 2.640 0.009 A 4 CYS CA C 13 53.140 0.403 A 4 CYS CB C 13 37.298 0.403 A 4 CYS N N 15 113.784 0.266 A 5 GLN H H 1 7.530 0.009 A 5 GLN HA H 1 4.425 0.009 A 5 GLN HB2 H 1 2.189 0.009 A 5 GLN HB3 H 1 1.965 0.009 A 5 GLN HG2 H 1 2.263 0.009 A 5 GLN HG3 H 1 2.170 0.009 A 5 GLN CA C 13 52.378 0.403 A 5 GLN CB C 13 27.346 0.403 A 5 GLN CG C 13 31.905 0.403 A 5 GLN N N 15 113.006 0.266 A 6 LEU H H 1 7.077 0.009 A 6 LEU HA H 1 4.418 0.009 A 6 LEU HB2 H 1 1.696 0.009 A 6 LEU HB3 H 1 1.457 0.009 A 6 LEU HD1% H 1 0.812 0.009 A 6 LEU HD2% H 1 0.812 0.009 A 6 LEU HG H 1 0.857 0.009 A 6 LEU CA C 13 50.351 0.403 A 6 LEU CB C 13 38.607 0.403 A 6 LEU CD1 C 13 19.558 0.403 A 6 LEU CD2 C 13 19.546 0.403 A 6 LEU CG C 13 23.574 0.403 A 6 LEU N N 15 120.822 0.266 A 8 SER H H 1 7.568 0.009 A 8 SER HA H 1 3.432 0.009 A 8 SER CA C 13 55.055 0.403 A 8 SER N N 15 113.519 0.266 A 9 ASP H H 1 7.094 0.009 A 9 ASP HA H 1 4.768 0.009 A 9 ASP HB2 H 1 2.450 0.009 A 9 ASP HB3 H 1 2.151 0.009 A 9 ASP CA C 13 49.670 0.403 A 9 ASP CB C 13 40.770 0.403 A 9 ASP N N 15 120.321 0.266 A 10 VAL H H 1 8.334 0.009 A 10 VAL HA H 1 4.396 0.009 A 10 VAL HB H 1 2.438 0.009 A 10 VAL HG1% H 1 1.135 0.009 A 10 VAL HG2% H 1 1.024 0.009 A 10 VAL CA C 13 61.053 0.403 A 10 VAL CB C 13 29.280 0.403 A 10 VAL CG1 C 13 17.670 0.403 A 10 VAL CG2 C 13 16.445 0.403 A 10 VAL N N 15 123.324 0.266 A 11 GLY H H 1 8.630 0.009 A 11 GLY HA2 H 1 3.997 0.009 A 11 GLY HA3 H 1 3.732 0.009 A 11 GLY CA C 13 42.595 0.403 A 11 GLY N N 15 107.906 0.266 A 12 LYS H H 1 8.681 0.009 A 12 LYS HA H 1 4.486 0.009 A 12 LYS HB2 H 1 1.734 0.009 A 12 LYS HB3 H 1 1.360 0.009 A 12 LYS HD2 H 1 1.552 0.009 A 12 LYS HD3 H 1 1.487 0.009 A 12 LYS HGx H 1 1.257 0.009 A 12 LYS HGy H 1 1.257 0.009 A 12 LYS CA C 13 51.744 0.403 A 12 LYS CB C 13 31.728 0.403 A 12 LYS CD C 13 26.101 0.403 A 12 LYS CE C 13 39.386 0.403 A 12 LYS CG C 13 22.009 0.403 A 12 LYS N N 15 121.083 0.266 A 13 GLY H H 1 8.197 0.009 A 13 GLY HA2 H 1 4.156 0.009 A 13 GLY HA3 H 1 3.554 0.009 A 13 GLY CA C 13 40.993 0.403 A 13 GLY N N 15 106.479 0.266 A 14 LYS H H 1 8.133 0.009 A 14 LYS HA H 1 4.435 0.009 A 14 LYS HB2 H 1 1.868 0.009 A 14 LYS HB3 H 1 1.457 0.009 A 14 LYS HD2 H 1 1.510 0.009 A 14 LYS HD3 H 1 1.436 0.009 A 14 LYS HEx H 1 2.837 0.009 A 14 LYS HEy H 1 2.837 0.009 A 14 LYS HG2 H 1 1.256 0.009 A 14 LYS HG3 H 1 1.205 0.009 A 14 LYS CA C 13 52.244 0.403 A 14 LYS CB C 13 29.671 0.403 A 14 LYS CD C 13 25.949 0.403 A 14 LYS CE C 13 39.319 0.403 A 14 LYS CG C 13 21.659 0.403 A 14 LYS N N 15 115.872 0.266 A 15 ALA H H 1 7.783 0.009 A 15 ALA HA H 1 3.835 0.009 A 15 ALA CA C 13 49.386 0.403 A 15 ALA CB C 13 16.399 0.403 A 15 ALA N N 15 123.180 0.266 A 16 SER H H 1 7.715 0.009 A 16 SER HA H 1 3.957 0.009 A 16 SER HB2 H 1 3.580 0.009 A 16 SER HB3 H 1 3.428 0.009 A 16 SER CA C 13 53.537 0.403 A 16 SER CB C 13 59.837 0.403 A 16 SER N N 15 112.188 0.266 A 17 PHE H H 1 8.173 0.009 A 17 PHE HA H 1 4.791 0.009 A 17 PHE HB2 H 1 3.171 0.009 A 17 PHE HB3 H 1 2.900 0.009 A 17 PHE CA C 13 52.740 0.403 A 17 PHE CB C 13 36.843 0.403 A 17 PHE N N 15 121.398 0.266 A 18 THR H H 1 9.024 0.009 A 18 THR HA H 1 4.304 0.009 A 18 THR HB H 1 3.967 0.009 A 18 THR HG2% H 1 0.894 0.009 A 18 THR CA C 13 61.451 0.403 A 18 THR CG2 C 13 18.493 0.403 A 18 THR N N 15 120.956 0.266 A 19 ARG H H 1 8.537 0.009 A 19 ARG HA H 1 4.558 0.009 A 19 ARG HB2 H 1 1.524 0.009 A 19 ARG HD2 H 1 3.334 0.009 A 19 ARG HD3 H 1 2.803 0.009 A 19 ARG HG2 H 1 1.131 0.009 A 19 ARG HG3 H 1 0.978 0.009 A 19 ARG CB C 13 31.460 0.403 A 19 ARG CG C 13 25.707 0.403 A 19 ARG N N 15 130.390 0.266 A 20 TYR H H 1 8.835 0.009 A 20 TYR HA H 1 5.570 0.009 A 20 TYR HB2 H 1 2.559 0.009 A 20 TYR HB3 H 1 2.559 0.009 A 20 TYR HDx H 1 6.557 0.009 A 20 TYR HDy H 1 6.557 0.009 A 20 TYR HE1 H 1 7.007 0.009 A 20 TYR HE2 H 1 7.007 0.009 A 20 TYR CA C 13 54.190 0.403 A 20 TYR CB C 13 39.023 0.403 A 20 TYR CD1 C 13 130.547 0.403 A 20 TYR N N 15 115.573 0.266 A 21 TYR H H 1 9.739 0.009 A 21 TYR HA H 1 5.035 0.009 A 21 TYR HB2 H 1 2.739 0.009 A 21 TYR HB3 H 1 2.612 0.009 A 21 TYR HDx H 1 6.884 0.009 A 21 TYR HDy H 1 6.884 0.009 A 21 TYR CA C 13 51.929 0.403 A 21 TYR CB C 13 38.745 0.403 A 21 TYR N N 15 121.351 0.266 A 22 TYR H H 1 10.197 0.009 A 22 TYR HA H 1 4.213 0.009 A 22 TYR HB2 H 1 3.168 0.009 A 22 TYR HB3 H 1 2.629 0.009 A 22 TYR CA C 13 55.942 0.403 A 22 TYR CB C 13 36.688 0.403 A 22 TYR N N 15 124.575 0.266 A 24 GLU H H 1 8.585 0.009 A 24 GLU HA H 1 3.683 0.009 A 24 GLU HB2 H 1 2.149 0.009 A 24 GLU HB3 H 1 1.986 0.009 A 24 GLU HG2 H 1 2.340 0.009 A 24 GLU HG3 H 1 2.304 0.009 A 24 GLU CA C 13 55.858 0.403 A 24 GLU CB C 13 26.774 0.403 A 24 GLU CG C 13 33.038 0.403 A 24 GLU N N 15 124.387 0.266 A 25 GLU H H 1 7.850 0.009 A 25 GLU HA H 1 3.924 0.009 A 25 GLU HBx H 1 1.980 0.009 A 25 GLU HBy H 1 1.980 0.009 A 25 GLU CA C 13 56.178 0.403 A 25 GLU CB C 13 26.521 0.403 A 25 GLU CG C 13 33.520 0.403 A 25 GLU N N 15 117.250 0.266 A 26 SER H H 1 7.144 0.009 A 26 SER HA H 1 4.326 0.009 A 26 SER HB2 H 1 3.763 0.009 A 26 SER HB3 H 1 3.569 0.009 A 26 SER CA C 13 54.627 0.403 A 26 SER CB C 13 62.220 0.403 A 26 SER N N 15 111.371 0.266 A 27 GLY H H 1 8.324 0.009 A 27 GLY HA2 H 1 3.814 0.009 A 27 GLY HA3 H 1 3.567 0.009 A 27 GLY CA C 13 43.013 0.403 A 27 GLY N N 15 112.897 0.266 A 28 LYS H H 1 7.152 0.009 A 28 LYS HA H 1 4.563 0.009 A 28 LYS HB2 H 1 1.570 0.009 A 28 LYS HB3 H 1 1.489 0.009 A 28 LYS HD2 H 1 1.512 0.009 A 28 LYS HDy H 1 1.512 0.009 A 28 LYS HDx H 1 1.440 0.009 A 28 LYS HEx H 1 2.831 0.009 A 28 LYS HEy H 1 2.831 0.009 A 28 LYS HG2 H 1 1.143 0.009 A 28 LYS HG3 H 1 1.098 0.009 A 28 LYS CA C 13 50.794 0.403 A 28 LYS CB C 13 32.796 0.403 A 28 LYS CD C 13 25.921 0.403 A 28 LYS CE C 13 39.556 0.403 A 28 LYS CG C 13 21.370 0.403 A 28 LYS N N 15 116.209 0.266 A 29 CYS H H 1 8.517 0.009 A 29 CYS HA H 1 5.230 0.009 A 29 CYS HB2 H 1 3.199 0.009 A 29 CYS HB3 H 1 2.463 0.009 A 29 CYS CA C 13 55.771 0.403 A 29 CYS CB C 13 44.705 0.403 A 29 CYS N N 15 119.291 0.266 A 30 GLU H H 1 8.965 0.009 A 30 GLU HA H 1 4.699 0.009 A 30 GLU HB2 H 1 2.168 0.009 A 30 GLU HBy H 1 2.168 0.009 A 30 GLU HBx H 1 1.474 0.009 A 30 GLU HGx H 1 1.962 0.009 A 30 GLU HGy H 1 1.962 0.009 A 30 GLU CA C 13 51.712 0.403 A 30 GLU CB C 13 30.507 0.403 A 30 GLU CG C 13 33.653 0.403 A 30 GLU N N 15 126.203 0.266 A 31 THR H H 1 8.070 0.009 A 31 THR HA H 1 5.064 0.009 A 31 THR HB H 1 3.877 0.009 A 31 THR HG2% H 1 0.553 0.009 A 31 THR CA C 13 57.801 0.403 A 31 THR CB C 13 67.717 0.403 A 31 THR CG2 C 13 19.374 0.403 A 31 THR N N 15 108.918 0.266 A 32 PHE H H 1 9.144 0.009 A 32 PHE HA H 1 4.746 0.009 A 32 PHE HB2 H 1 2.973 0.009 A 32 PHE HB3 H 1 2.774 0.009 A 32 PHE HDx H 1 6.926 0.009 A 32 PHE HDy H 1 6.926 0.009 A 32 PHE HEx H 1 7.086 0.009 A 32 PHE HEy H 1 7.086 0.009 A 32 PHE CA C 13 52.941 0.403 A 32 PHE CB C 13 38.104 0.403 A 32 PHE CD1 C 13 131.345 0.403 A 32 PHE CE1 C 13 129.618 0.403 A 32 PHE N N 15 119.261 0.266 A 33 ILE H H 1 8.067 0.009 A 33 ILE HA H 1 4.428 0.009 A 33 ILE HB H 1 1.739 0.009 A 33 ILE HG12 H 1 1.278 0.009 A 33 ILE HG13 H 1 1.145 0.009 A 33 ILE HG2% H 1 0.570 0.009 A 33 ILE CA C 13 55.916 0.403 A 33 ILE CB C 13 33.583 0.403 A 33 ILE CD1 C 13 2.905 0.403 A 33 ILE CG1 C 13 23.805 0.403 A 33 ILE CG2 C 13 15.023 0.403 A 33 ILE N N 15 119.982 0.266 A 34 TYR H H 1 9.047 0.009 A 34 TYR HA H 1 4.940 0.009 A 34 TYR HB2 H 1 2.436 0.009 A 34 TYR HB3 H 1 2.382 0.009 A 34 TYR HDx H 1 6.677 0.009 A 34 TYR HDy H 1 6.677 0.009 A 34 TYR CA C 13 51.542 0.403 A 34 TYR CB C 13 39.425 0.403 A 34 TYR N N 15 127.803 0.266 A 35 GLY H H 1 8.849 0.009 A 35 GLY HA2 H 1 3.871 0.009 A 35 GLY HA3 H 1 3.091 0.009 A 35 GLY CA C 13 43.424 0.403 A 35 GLY N N 15 113.856 0.266 A 36 GLY H H 1 8.904 0.009 A 36 GLY HA2 H 1 4.320 0.009 A 36 GLY HA3 H 1 2.997 0.009 A 36 GLY CA C 13 42.714 0.403 A 36 GLY N N 15 111.910 0.266 A 37 VAL H H 1 7.603 0.009 A 37 VAL HA H 1 4.290 0.009 A 37 VAL HB H 1 1.576 0.009 A 37 VAL HG1% H 1 0.757 0.009 A 37 VAL HG2% H 1 0.693 0.009 A 37 VAL CA C 13 58.086 0.403 A 37 VAL CB C 13 32.263 0.403 A 37 VAL CG1 C 13 18.171 0.403 A 37 VAL CG2 C 13 17.916 0.403 A 37 VAL N N 15 119.311 0.266 A 38 GLY H H 1 8.897 0.009 A 38 GLY HA2 H 1 3.988 0.009 A 38 GLY HA3 H 1 3.740 0.009 A 38 GLY CA C 13 42.686 0.403 A 38 GLY N N 15 111.807 0.266 A 39 GLY H H 1 9.338 0.009 A 39 GLY HA2 H 1 4.371 0.009 A 39 GLY HA3 H 1 3.672 0.009 A 39 GLY CA C 13 40.873 0.403 A 39 GLY N N 15 114.314 0.266 A 40 ASN H H 1 9.177 0.009 A 40 ASN HA H 1 4.853 0.009 A 40 ASN HB2 H 1 3.098 0.009 A 40 ASN HB3 H 1 2.791 0.009 A 40 ASN CA C 13 48.714 0.403 A 40 ASN CB C 13 37.573 0.403 A 40 ASN N N 15 120.029 0.266 A 41 SER H H 1 7.739 0.009 A 41 SER HA H 1 4.144 0.009 A 41 SER HB2 H 1 3.767 0.009 A 41 SER HB3 H 1 3.684 0.009 A 41 SER CA C 13 56.686 0.403 A 41 SER CB C 13 60.555 0.403 A 41 SER N N 15 108.169 0.266 A 42 ASN H H 1 8.174 0.009 A 42 ASN HA H 1 4.670 0.009 A 42 ASN HB2 H 1 3.082 0.009 A 42 ASN HB3 H 1 2.785 0.009 A 42 ASN CA C 13 48.046 0.403 A 42 ASN CB C 13 32.231 0.403 A 42 ASN N N 15 124.858 0.266 A 43 ASN H H 1 7.641 0.009 A 43 ASN HA H 1 4.400 0.009 A 43 ASN HB2 H 1 3.109 0.009 A 43 ASN HB3 H 1 1.791 0.009 A 43 ASN CA C 13 47.920 0.403 A 43 ASN CB C 13 35.394 0.403 A 43 ASN N N 15 126.065 0.266 A 44 PHE H H 1 9.770 0.009 A 44 PHE HA H 1 4.930 0.009 A 44 PHE HB2 H 1 3.203 0.009 A 44 PHE HB3 H 1 2.622 0.009 A 44 PHE HDx H 1 7.204 0.009 A 44 PHE HDy H 1 7.204 0.009 A 44 PHE HEx H 1 7.240 0.009 A 44 PHE HEy H 1 7.240 0.009 A 44 PHE C C 13 171.129 0.403 A 44 PHE CA C 13 53.136 0.403 A 44 PHE CB C 13 40.065 0.403 A 44 PHE CD2 C 13 128.800 0.403 A 44 PHE CE2 C 13 130.500 0.403 A 44 PHE N N 15 123.416 0.266 A 45 LEU H H 1 9.741 0.009 A 45 LEU HA H 1 4.135 0.009 A 45 LEU HB2 H 1 1.840 0.009 A 45 LEU HB3 H 1 1.620 0.009 A 45 LEU HD1% H 1 0.845 0.009 A 45 LEU HD2% H 1 0.703 0.009 A 45 LEU HG H 1 1.725 0.009 A 45 LEU CA C 13 54.741 0.403 A 45 LEU CB C 13 39.887 0.403 A 45 LEU CD1 C 13 21.881 0.403 A 45 LEU CD2 C 13 19.561 0.403 A 45 LEU CG C 13 24.959 0.403 A 45 LEU N N 15 121.524 0.266 A 46 THR H H 1 7.102 0.009 A 46 THR HA H 1 4.498 0.009 A 46 THR HB H 1 4.324 0.009 A 46 THR HG2% H 1 1.089 0.009 A 46 THR CA C 13 55.536 0.403 A 46 THR CB C 13 69.357 0.403 A 46 THR CG2 C 13 15.374 0.403 A 46 THR N N 15 102.391 0.266 A 47 LYS H H 1 8.097 0.009 A 47 LYS HA H 1 4.355 0.009 A 47 LYS HB2 H 1 1.660 0.009 A 47 LYS HB3 H 1 1.616 0.009 A 47 LYS HD2 H 1 1.644 0.009 A 47 LYS HDx H 1 1.644 0.009 A 47 LYS HDy H 1 1.644 0.009 A 47 LYS HEx H 1 2.889 0.009 A 47 LYS HEy H 1 2.889 0.009 A 47 LYS HG2 H 1 1.276 0.009 A 47 LYS HG3 H 1 1.276 0.009 A 47 LYS HZ1 H 1 6.616 0.009 A 47 LYS HZ2 H 1 6.616 0.009 A 47 LYS HZ3 H 1 6.616 0.009 A 47 LYS CA C 13 55.819 0.403 A 47 LYS CB C 13 29.013 0.403 A 47 LYS CD C 13 26.951 0.403 A 47 LYS CE C 13 39.212 0.403 A 47 LYS CG C 13 21.332 0.403 A 47 LYS N N 15 124.404 0.266 A 48 GLU H H 1 8.549 0.009 A 48 GLU HA H 1 3.618 0.009 A 48 GLU HB2 H 1 1.862 0.009 A 48 GLU HB3 H 1 1.678 0.009 A 48 GLU HG2 H 1 2.244 0.009 A 48 GLU HG3 H 1 2.045 0.009 A 48 GLU CA C 13 57.554 0.403 A 48 GLU CB C 13 25.710 0.403 A 48 GLU CG C 13 33.987 0.403 A 48 GLU N N 15 117.327 0.266 A 49 ASP H H 1 7.724 0.009 A 49 ASP HA H 1 4.144 0.009 A 49 ASP HB2 H 1 2.641 0.009 A 49 ASP HB3 H 1 2.790 0.009 A 49 ASP CA C 13 54.546 0.403 A 49 ASP CB C 13 38.443 0.403 A 49 ASP N N 15 119.744 0.266 A 50 CYS H H 1 6.678 0.009 A 50 CYS HA H 1 3.826 0.009 A 50 CYS HB2 H 1 2.990 0.009 A 50 CYS HB3 H 1 2.560 0.009 A 50 CYS CA C 13 55.949 0.403 A 50 CYS CB C 13 39.155 0.403 A 50 CYS N N 15 118.793 0.266 A 51 CYS H H 1 8.875 0.009 A 51 CYS HA H 1 3.808 0.009 A 51 CYS HB2 H 1 3.030 0.009 A 51 CYS HB3 H 1 2.556 0.009 A 51 CYS CA C 13 55.951 0.403 A 51 CYS CB C 13 39.102 0.403 A 51 CYS N N 15 120.522 0.266 A 52 ARG H H 1 8.071 0.009 A 52 ARG HA H 1 3.728 0.009 A 52 ARG HB2 H 1 1.771 0.009 A 52 ARG HB3 H 1 1.713 0.009 A 52 ARG HD2 H 1 3.106 0.009 A 52 ARG HD3 H 1 3.106 0.009 A 52 ARG HG2 H 1 1.561 0.009 A 52 ARG HG3 H 1 1.384 0.009 A 52 ARG CA C 13 56.512 0.403 A 52 ARG CB C 13 27.263 0.403 A 52 ARG CD C 13 40.300 0.403 A 52 ARG CG C 13 24.915 0.403 A 52 ARG N N 15 120.053 0.266 A 53 GLU H H 1 7.316 0.009 A 53 GLU HA H 1 4.031 0.009 A 53 GLU HB2 H 1 1.857 0.009 A 53 GLU HB3 H 1 1.770 0.009 A 53 GLU HG2 H 1 2.307 0.009 A 53 GLU HG3 H 1 2.165 0.009 A 53 GLU CA C 13 55.948 0.403 A 53 GLU CB C 13 28.275 0.403 A 53 GLU CG C 13 33.933 0.403 A 53 GLU N N 15 115.344 0.266 A 54 CYS H H 1 7.791 0.009 A 54 CYS HA H 1 4.724 0.009 A 54 CYS HB2 H 1 2.059 0.009 A 54 CYS HB3 H 1 1.829 0.009 A 54 CYS CA C 13 50.923 0.403 A 54 CYS CB C 13 39.997 0.403 A 54 CYS N N 15 111.421 0.266 A 55 ALA H H 1 7.867 0.009 A 55 ALA HA H 1 4.172 0.009 A 55 ALA HB% H 1 1.430 0.009 A 55 ALA CA C 13 50.210 0.403 A 55 ALA CB C 13 17.833 0.403 A 55 ALA N N 15 121.347 0.266 A 56 GLN H H 1 8.365 0.009 A 56 GLN HA H 1 4.194 0.009 A 56 GLN HB2 H 1 2.048 0.009 A 56 GLN HB3 H 1 1.873 0.009 A 56 GLN HG2 H 1 2.189 0.009 A 56 GLN HG3 H 1 2.139 0.009 A 56 GLN CA C 13 52.706 0.403 A 56 GLN CB C 13 25.658 0.403 A 56 GLN CG C 13 31.118 0.403 A 56 GLN N N 15 119.667 0.266 A 57 GLY H H 1 8.144 0.009 A 57 GLY HA2 H 1 4.078 0.009 A 57 GLY HA3 H 1 3.627 0.009 A 57 GLY CA C 13 42.555 0.403 A 57 GLY N N 15 108.916 0.266 A 58 SER H H 1 7.891 0.009 A 58 SER HA H 1 4.324 0.009 A 58 SER HB2 H 1 3.794 0.009 A 58 SER HB3 H 1 3.710 0.009 A 58 SER HG H 1 4.675 0.009 A 58 SER CA C 13 55.529 0.403 A 58 SER CB C 13 61.064 0.403 A 58 SER N N 15 115.911 0.266 A 59 CYS H H 1 7.963 0.009 A 59 CYS HA H 1 4.416 0.009 A 59 CYS HB2 H 1 3.159 0.009 A 59 CYS HB3 H 1 3.057 0.009 A 59 CYS CA C 13 54.711 0.403 A 59 CYS CB C 13 41.803 0.403 A 59 CYS N N 15 124.520 0.266 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 30 GLU HA A 31 THR H 1.0 . 2.80 2 2 A 31 THR H A 30 GLU HBx 1.0 . 3.33 3 3 A 31 THR H A 30 GLU HBy 1.0 . 3.30 4 4 A 26 SER H A 25 GLU HBx 1.0 . 4.27 5 4 A 25 GLU HBy A 26 SER H 1.0 . 4.27 6 5 A 26 SER H A 26 SER HB2 1.0 . 3.80 7 6 A 26 SER H A 27 GLY H 1.0 . 2.50 8 7 A 26 SER H A 26 SER HB3 1.0 . 3.21 9 8 A 28 LYS H A 28 LYS HA 1.0 . 3.42 10 9 A 28 LYS H A 28 LYS HB2 1.0 . 2.80 11 10 A 28 LYS H A 27 GLY HA2 1.0 . 3.45 12 11 A 28 LYS H A 27 GLY HA3 1.0 . 3.42 13 12 A 12 LYS H A 37 VAL H 1.0 . 3.70 14 13 A 37 VAL H A 37 VAL HB 1.0 . 3.08 15 14 A 37 VAL H A 36 GLY HA3 1.0 . 3.64 16 15 A 37 VAL H A 37 VAL HA 1.0 . 3.08 17 16 A 14 LYS H A 14 LYS HB2 1.0 . 3.52 18 17 A 14 LYS H A 13 GLY HA2 1.0 . 3.02 19 18 A 14 LYS H A 14 LYS HA 1.0 . 3.27 20 19 A 14 LYS H A 13 GLY HA3 1.0 . 2.93 21 20 A 17 PHE H A 34 TYR H 1.0 . 3.48 22 21 A 17 PHE H A 17 PHE HA 1.0 . 3.64 23 22 A 17 PHE H A 17 PHE HB3 1.0 . 3.08 24 23 A 17 PHE H A 17 PHE HB2 1.0 . 3.42 25 24 A 41 SER H A 42 ASN H 1.0 . 3.42 26 25 A 42 ASN H A 42 ASN HB3 1.0 . 3.08 27 26 A 42 ASN H A 42 ASN HB2 1.0 . 3.05 28 27 A 2 LYS H A 2 LYS HB2 1.0 . 2.96 29 28 A 34 TYR H A 34 TYR HB3 1.0 . 3.30 30 29 A 34 TYR H A 33 ILE HA 1.0 . 2.71 31 30 A 34 TYR H A 18 THR HA 1.0 . 3.42 32 31 A 34 TYR H A 34 TYR HB2 1.0 . 3.30 33 32 A 40 ASN H A 40 ASN HB3 1.0 . 3.95 34 33 A 40 ASN H A 39 GLY HA3 1.0 . 3.17 35 34 A 40 ASN H A 40 ASN HB2 1.0 . 4.23 36 35 A 40 ASN H A 39 GLY HA2 1.0 . 2.93 37 36 A 24 GLU H A 24 GLU HB2 1.0 . 3.08 38 37 A 24 GLU H A 24 GLU HB3 1.0 . 2.96 39 38 A 24 GLU H A 25 GLU H 1.0 . 4.30 40 39 A 26 SER H A 24 GLU H 1.0 . 5.00 41 40 A 27 GLY H A 25 GLU H 1.0 . 5.00 42 41 A 45 LEU H A 45 LEU HB3 1.0 . 3.70 43 42 A 45 LEU H A 45 LEU HB2 1.0 . 3.21 44 43 A 45 LEU HB3 A 46 THR H 1.0 . 4.35 45 44 A 45 LEU H A 46 THR H 1.0 . 3.17 46 45 A 46 THR H A 46 THR HA 1.0 . 3.48 47 46 A 45 LEU HB2 A 46 THR H 1.0 . 3.36 48 47 A 46 THR H A 44 PHE HB3 1.0 . 3.05 49 48 A 46 THR H A 46 THR HB 1.0 . 4.17 50 49 A 4 CYS H A 4 CYS HB3 1.0 . 3.11 51 50 A 4 CYS H A 3 LYS HA 1.0 . 3.55 52 51 A 4 CYS H A 4 CYS HB2 1.0 . 3.48 53 52 A 4 CYS H A 3 LYS H 1.0 . 3.42 54 53 A 3 LYS HA A 5 GLN H 1.0 . 3.58 55 54 A 4 CYS H A 5 GLN H 1.0 . 2.96 56 55 A 5 GLN H A 5 GLN HB3 1.0 . 3.61 57 56 A 8 SER H A 8 SER HBx 1.0 . 3.11 58 57 A 8 SER H A 8 SER HBy 1.0 . 3.24 59 58 A 50 CYS H A 50 CYS HB3 1.0 . 2.93 60 59 A 50 CYS H A 49 ASP HB2 1.0 . 3.02 61 60 A 50 CYS H A 49 ASP H 1.0 . 3.11 62 61 A 50 CYS H A 50 CYS HB2 1.0 . 2.96 63 62 A 28 LYS H A 23 ASN H 1.0 . 3.39 64 63 A 23 ASN H A 23 ASN HBy 1.0 . 3.60 65 64 A 23 ASN H A 23 ASN HBx 1.0 . 3.60 66 65 A 23 ASN H A 22 TYR HB3 1.0 . 4.01 67 66 A 23 ASN H A 22 TYR HB2 1.0 . 3.90 68 67 A 49 ASP HB2 A 49 ASP H 1.0 . 3.02 69 68 A 49 ASP H A 48 GLU H 1.0 . 3.30 70 69 A 49 ASP H A 48 GLU HB3 1.0 . 3.55 71 70 A 49 ASP H A 48 GLU HB2 1.0 . 3.39 72 71 A 49 ASP H A 49 ASP HB3 1.0 . 3.60 73 72 A 50 CYS H A 48 GLU H 1.0 . 4.32 74 73 A 48 GLU H A 47 LYS H 1.0 . 3.21 75 74 A 48 GLU H A 51 CYS H 1.0 . 5.80 76 75 A 48 GLU H A 48 GLU HB3 1.0 . 3.45 77 76 A 48 GLU H A 48 GLU HB2 1.0 . 3.02 78 77 A 48 GLU H A 47 LYS HA 1.0 . 3.50 79 78 A 47 LYS H A 47 LYS HB3 1.0 . 3.40 80 79 A 46 THR HA A 47 LYS H 1.0 . 3.64 81 80 A 44 PHE HB3 A 47 LYS H 1.0 . 3.95 82 81 A 47 LYS H A 47 LYS HB2 1.0 . 3.40 83 82 A 46 THR HB A 47 LYS H 1.0 . 2.65 84 83 A 28 LYS HB3 A 29 CYS H 1.0 . 3.30 85 84 A 28 LYS HA A 29 CYS H 1.0 . 2.83 86 85 A 29 CYS H A 29 CYS HB2 1.0 . 3.05 87 86 A 28 LYS HB2 A 29 CYS H 1.0 . 3.30 88 87 A 29 CYS H A 29 CYS HB3 1.0 . 3.52 89 88 A 12 LYS H A 12 LYS HB3 1.0 . 3.39 90 89 A 12 LYS H A 12 LYS HA 1.0 . 3.30 91 90 A 12 LYS H A 11 GLY HA3 1.0 . 2.99 92 91 A 12 LYS H A 11 GLY HA2 1.0 . 2.77 93 92 A 12 LYS H A 12 LYS HB2 1.0 . 3.52 94 93 A 30 GLU HBx A 30 GLU H 1.0 . 3.58 95 94 A 30 GLU HBy A 30 GLU H 1.0 . 3.90 96 95 A 29 CYS HB2 A 30 GLU H 1.0 . 3.98 97 96 A 30 GLU H A 21 TYR H 1.0 . 3.39 98 97 A 29 CYS HB3 A 30 GLU H 1.0 . 4.14 99 98 A 32 PHE HA A 33 ILE H 1.0 . 3.02 100 99 A 33 ILE HA A 33 ILE H 1.0 . 3.42 101 100 A 33 ILE H A 32 PHE HB2 1.0 . 3.76 102 101 A 33 ILE H A 32 PHE HB3 1.0 . 3.20 103 102 A 50 CYS H A 51 CYS H 1.0 . 3.08 104 103 A 49 ASP H A 51 CYS H 1.0 . 5.50 105 104 A 51 CYS H A 51 CYS HB2 1.0 . 2.74 106 105 A 51 CYS H A 51 CYS HB3 1.0 . 3.70 107 106 A 51 CYS H A 52 ARG H 1.0 . 4.00 108 107 A 31 THR HB A 32 PHE H 1.0 . 3.02 109 108 A 18 THR HA A 32 PHE H 1.0 . 4.11 110 109 A 32 PHE HB2 A 32 PHE H 1.0 . 4.04 111 110 A 32 PHE HB3 A 32 PHE H 1.0 . 4.11 112 111 A 38 GLY H A 38 GLY HA3 1.0 . 3.17 113 112 A 38 GLY H A 38 GLY HA2 1.0 . 3.42 114 113 A 38 GLY HA3 A 39 GLY H 1.0 . 3.42 115 114 A 39 GLY HA3 A 39 GLY H 1.0 . 3.30 116 115 A 38 GLY HA2 A 39 GLY H 1.0 . 3.14 117 116 A 39 GLY HA2 A 39 GLY H 1.0 . 3.70 118 117 A 41 SER H A 40 ASN HA 1.0 . 3.02 119 118 A 41 SER H A 41 SER HB2 1.0 . 3.30 120 119 A 41 SER H A 40 ASN HB3 1.0 . 3.11 121 120 A 41 SER H A 41 SER HB3 1.0 . 3.30 122 121 A 41 SER H A 40 ASN HB2 1.0 . 2.83 123 122 A 12 LYS HB3 A 13 GLY H 1.0 . 3.39 124 123 A 13 GLY HA2 A 13 GLY H 1.0 . 3.05 125 124 A 12 LYS HA A 13 GLY H 1.0 . 2.86 126 125 A 12 LYS HB2 A 13 GLY H 1.0 . 3.14 127 126 A 13 GLY HA3 A 13 GLY H 1.0 . 2.99 128 127 A 27 GLY H A 28 LYS H 1.0 . 4.30 129 128 A 27 GLY H A 25 GLU HBx 1.0 . 5.36 130 128 A 25 GLU HBy A 27 GLY H 1.0 . 5.36 131 129 A 27 GLY H A 27 GLY HA2 1.0 . 3.05 132 130 A 27 GLY H A 27 GLY HA3 1.0 . 2.90 133 131 A 16 SER H A 16 SER HB2 1.0 . 3.52 134 132 A 16 SER H A 16 SER HB3 1.0 . 3.50 135 133 A 21 TYR H A 21 TYR HB2 1.0 . 3.83 136 134 A 21 TYR H A 21 TYR HA 1.0 . 2.83 137 135 A 21 TYR H A 21 TYR HB3 1.0 . 4.17 138 136 A 43 ASN H A 43 ASN HA 1.0 . 2.80 139 137 A 42 ASN H A 43 ASN H 1.0 . 3.98 140 138 A 43 ASN H A 43 ASN HB3 1.0 . 3.55 141 139 A 42 ASN HB3 A 43 ASN H 1.0 . 4.04 142 140 A 43 ASN H A 43 ASN HB2 1.0 . 3.48 143 141 A 42 ASN HB2 A 43 ASN H 1.0 . 4.29 144 142 A 43 ASN H A 44 PHE H 1.0 . 4.38 145 143 A 6 LEU H A 6 LEU HB2 1.0 . 2.93 146 144 A 5 GLN H A 6 LEU H 1.0 . 3.96 147 145 A 6 LEU H A 6 LEU HA 1.0 . 3.08 148 146 A 6 LEU H A 6 LEU HB3 1.0 . 3.59 149 147 A 54 CYS HB3 A 55 ALA H 1.0 . 3.83 150 148 A 55 ALA H A 52 ARG HA 1.0 . 3.70 151 149 A 55 ALA H A 54 CYS HB2 1.0 . 3.86 152 150 A 58 SER H A 58 SER HB2 1.0 . 3.44 153 151 A 58 SER H A 58 SER HB3 1.0 . 3.33 154 152 A 58 SER H A 57 GLY HA2 1.0 . 3.50 155 153 A 3 LYS H A 3 LYS HB2 1.0 . 2.74 156 154 A 59 CYS H A 59 CYS HB2 1.0 . 3.36 157 155 A 58 SER HB2 A 59 CYS H 1.0 . 3.11 158 156 A 59 CYS H A 59 CYS HA 1.0 . 2.96 159 157 A 59 CYS H A 59 CYS HB3 1.0 . 3.36 160 158 A 56 GLN H A 56 GLN HB2 1.0 . 3.39 161 159 A 56 GLN H A 56 GLN HB3 1.0 . 3.60 162 160 A 55 ALA H A 56 GLN H 1.0 . 3.33 163 161 A 32 PHE H A 19 ARG H 1.0 . 3.27 164 162 A 33 ILE HA A 19 ARG H 1.0 . 3.58 165 163 A 19 ARG H A 18 THR HB 1.0 . 4.00 166 164 A 19 ARG H A 19 ARG HB2 1.0 . 3.92 167 165 A 19 ARG H A 19 ARG HBy 1.0 . 3.70 168 166 A 18 THR HB A 18 THR H 1.0 . 3.10 169 167 A 17 PHE HA A 18 THR H 1.0 . 2.86 170 168 A 17 PHE HB3 A 18 THR H 1.0 . 4.11 171 169 A 17 PHE HB2 A 18 THR H 1.0 . 3.90 172 170 A 35 GLY H A 35 GLY HA3 1.0 . 2.96 173 171 A 34 TYR HB3 A 35 GLY H 1.0 . 4.14 174 172 A 35 GLY H A 35 GLY HA2 1.0 . 3.17 175 173 A 34 TYR HB2 A 35 GLY H 1.0 . 4.14 176 174 A 11 GLY HA3 A 11 GLY H 1.0 . 2.77 177 175 A 11 GLY H A 9 ASP HA 1.0 . 4.04 178 176 A 11 GLY H A 10 VAL HB 1.0 . 3.76 179 177 A 11 GLY H A 10 VAL H 1.0 . 3.14 180 178 A 54 CYS HB3 A 57 GLY H 1.0 . 4.72 181 179 A 57 GLY H A 56 GLN HA 1.0 . 3.50 182 180 A 57 GLY H A 57 GLY HA3 1.0 . 3.05 183 181 A 57 GLY HA2 A 57 GLY H 1.0 . 3.17 184 182 A 53 GLU HB2 A 54 CYS H 1.0 . 3.10 185 183 A 54 CYS HB2 A 54 CYS H 1.0 . 3.27 186 184 A 54 CYS H A 53 GLU HB3 1.0 . 3.30 187 185 A 55 ALA H A 54 CYS H 1.0 . 2.40 188 186 A 36 GLY H A 36 GLY HA2 1.0 . 3.55 189 187 A 53 GLU HB2 A 53 GLU H 1.0 . 2.71 190 188 A 53 GLU H A 52 ARG HB3 1.0 . 2.40 191 189 A 53 GLU H A 52 ARG HB2 1.0 . 3.20 192 190 A 54 CYS H A 53 GLU H 1.0 . 3.05 193 191 A 8 SER HBx A 9 ASP H 1.0 . 3.52 194 192 A 9 ASP H A 9 ASP HB2 1.0 . 3.45 195 193 A 9 ASP HA A 9 ASP H 1.0 . 3.73 196 194 A 8 SER HBy A 9 ASP H 1.0 . 3.83 197 195 A 9 ASP H A 9 ASP HB3 1.0 . 3.58 198 196 A 10 VAL H A 9 ASP H 1.0 . 3.92 199 197 A 14 LYS H A 15 ALA H 1.0 . 2.93 200 198 A 14 LYS HB2 A 15 ALA H 1.0 . 4.20 201 199 A 13 GLY HA2 A 15 ALA H 1.0 . 3.89 202 200 A 35 GLY HA3 A 15 ALA H 1.0 . 3.64 203 201 A 15 ALA H A 14 LYS HB3 1.0 . 4.39 204 202 A 35 GLY HA2 A 15 ALA H 1.0 . 3.32 205 203 A 14 LYS HA A 15 ALA H 1.0 . 3.27 206 204 A 13 GLY HA3 A 15 ALA H 1.0 . 3.89 207 205 A 26 SER H A 25 GLU H 1.0 . 3.02 208 206 A 25 GLU H A 25 GLU HBx 1.0 . 3.78 209 206 A 25 GLU HBy A 25 GLU H 1.0 . 3.78 210 207 A 52 ARG H A 52 ARG HB3 1.0 . 3.32 211 208 A 52 ARG H A 52 ARG HB2 1.0 . 3.05 212 209 A 52 ARG H A 51 CYS HA 1.0 . 3.27 213 210 A 52 ARG H A 53 GLU H 1.0 . 3.14 214 211 A 52 ARG H A 48 GLU HA 1.0 . 5.30 215 212 A 9 ASP HA A 10 VAL H 1.0 . 2.83 216 213 A 1 LYS H1 A 1 LYS HA 1.0 . 2.99 217 214 A 1 LYS H1 A 1 LYS HB2 1.0 . 3.08 218 215 A 20 TYR H A 20 TYR HB2 1.0 . 4.27 219 215 A 20 TYR H A 20 TYR HB3 1.0 . 4.27 220 216 A 19 ARG HB2 A 20 TYR H 1.0 . 3.37 221 217 A 19 ARG HBy A 20 TYR H 1.0 . 3.55 222 218 A 44 PHE H A 20 TYR H 1.0 . 3.45 223 219 A 44 PHE H A 44 PHE HA 1.0 . 4.32 224 220 A 43 ASN HB3 A 44 PHE H 1.0 . 4.54 225 221 A 44 PHE HB3 A 44 PHE H 1.0 . 3.80 226 222 A 31 THR H A 30 GLU HGx 1.0 . 6.13 227 222 A 31 THR H A 30 GLU HGy 1.0 . 6.13 228 223 A 28 LYS H A 28 LYS HG3 1.0 . 4.26 229 224 A 28 LYS H A 28 LYS HDx 1.0 . 3.63 230 225 A 28 LYS H A 28 LYS HG2 1.0 . 4.38 231 226 A 14 LYS H A 14 LYS HD3 1.0 . 2.90 232 227 A 14 LYS H A 14 LYS HD2 1.0 . 2.80 233 228 A 14 LYS H A 14 LYS HG3 1.0 . 3.76 234 229 A 42 ASN H A 6 LEU HB2 1.0 . 4.54 235 230 A 42 ASN H A 6 LEU HG 1.0 . 3.79 236 231 A 2 LYS H A 2 LYS HDx 1.0 . 5.27 237 231 A 2 LYS H A 2 LYS HDy 1.0 . 5.27 238 232 A 2 LYS H A 2 LYS HG3 1.0 . 4.50 239 233 A 34 TYR H A 34 TYR HD% 1.0 . 7.63 240 234 A 34 TYR H A 33 ILE HG13 1.0 . 4.97 241 235 A 34 TYR H A 17 PHE HB3 1.0 . 4.97 242 236 A 40 ASN H A 9 ASP HB2 1.0 . 4.60 243 237 A 40 ASN H A 9 ASP HB3 1.0 . 5.47 244 238 A 24 GLU H A 24 GLU HG3 1.0 . 4.50 245 239 A 5 GLN H A 5 GLN HG3 1.0 . 2.40 246 240 A 5 GLN H A 5 GLN HG2 1.0 . 3.02 247 241 A 49 ASP H A 48 GLU HG2 1.0 . 5.38 248 242 A 48 GLU H A 48 GLU HG3 1.0 . 4.14 249 243 A 48 GLU H A 48 GLU HG2 1.0 . 4.91 250 244 A 47 LYS H A 47 LYS HG2 1.0 . 4.71 251 244 A 47 LYS H A 47 LYS HG3 1.0 . 4.71 252 245 A 47 LYS H A 47 LYS HZ% 1.0 . 6.48 253 246 A 29 CYS H A 28 LYS HG3 1.0 . 5.34 254 247 A 12 LYS H A 12 LYS HD3 1.0 . 4.11 255 248 A 12 LYS H A 12 LYS HGx 1.0 . 5.21 256 248 A 12 LYS H A 12 LYS HGy 1.0 . 5.21 257 249 A 30 GLU H A 20 TYR HD% 1.0 . 7.63 258 250 A 30 GLU H A 21 TYR HD% 1.0 . 7.63 259 251 A 30 GLU H A 30 GLU HGx 1.0 . 5.55 260 251 A 30 GLU H A 30 GLU HGy 1.0 . 5.55 261 252 A 33 ILE H A 33 ILE HG13 1.0 . 3.67 262 253 A 33 ILE H A 33 ILE HG12 1.0 . 4.11 263 254 A 32 PHE H A 32 PHE HE% 1.0 . 7.63 264 255 A 32 PHE H A 32 PHE HD% 1.0 . 6.64 265 256 A 41 SER H A 6 LEU HG 1.0 . 3.48 266 257 A 21 TYR H A 20 TYR HD% 1.0 . 7.63 267 258 A 21 TYR H A 21 TYR HD% 1.0 . 7.19 268 259 A 21 TYR H A 20 TYR HE% 1.0 . 7.63 269 260 A 23 ASN HBy A 6 LEU H 1.0 . 4.26 270 261 A 42 ASN HB3 A 6 LEU H 1.0 . 5.16 271 262 A 42 ASN HB2 A 6 LEU H 1.0 . 4.79 272 263 A 58 SER H A 58 SER HG 1.0 . 4.79 273 264 A 3 LYS H A 3 LYS HG3 1.0 . 3.05 274 265 A 3 LYS H A 3 LYS HDx 1.0 . 4.31 275 265 A 3 LYS H A 3 LYS HDy 1.0 . 4.31 276 266 A 56 GLN H A 56 GLN HG2 1.0 . 3.61 277 267 A 19 ARG H A 19 ARG HG3 1.0 . 4.20 278 268 A 35 GLY H A 34 TYR HD% 1.0 . 7.63 279 269 A 53 GLU H A 53 GLU HG2 1.0 . 4.29 280 270 A 53 GLU H A 53 GLU HG3 1.0 . 3.52 281 271 A 25 GLU H A 24 GLU HG3 1.0 . 3.27 282 272 A 52 ARG H A 52 ARG HD2 1.0 . 5.82 283 272 A 52 ARG H A 52 ARG HD3 1.0 . 5.82 284 273 A 52 ARG H A 52 ARG HG2 1.0 . 4.50 285 274 A 1 LYS H1 A 1 LYS HG3 1.0 . 4.69 286 275 A 1 LYS H1 A 1 LYS HDx 1.0 . 5.17 287 275 A 1 LYS H1 A 1 LYS HDy 1.0 . 5.17 288 276 A 20 TYR H A 20 TYR HD% 1.0 . 6.79 289 277 A 20 TYR H A 19 ARG HD3 1.0 . 5.19 290 278 A 20 TYR H A 19 ARG HD2 1.0 . 4.88 291 279 A 20 TYR H A 20 TYR HE% 1.0 . 7.63 292 280 A 44 PHE H A 44 PHE HE% 1.0 . 7.63 293 281 A 44 PHE H A 44 PHE HD% 1.0 . 7.63 294 282 A 31 THR H A 31 THR HG2% 1.0 . 4.29 295 283 A 37 VAL H A 37 VAL HG1% 1.0 . 5.06 296 284 A 17 PHE H A 33 ILE HG2% 1.0 . 4.60 297 285 A 34 TYR H A 33 ILE HG2% 1.0 . 4.50 298 286 A 46 THR H A 46 THR HG2% 1.0 . 4.88 299 287 A 49 ASP H A 46 THR HG2% 1.0 . 5.99 300 288 A 12 LYS H A 37 VAL HG2% 1.0 . 6.05 301 289 A 32 PHE H A 31 THR HG2% 1.0 . 4.97 302 290 A 38 GLY H A 37 VAL HG2% 1.0 . 5.56 303 291 A 13 GLY H A 37 VAL HG2% 1.0 . 5.90 304 292 A 6 LEU H A 6 LEU HD1% 1.0 . 7.26 305 292 A 6 LEU H A 6 LEU HD2% 1.0 . 7.26 306 293 A 55 ALA H A 55 ALA HB% 1.0 . 4.10 307 294 A 57 GLY H A 55 ALA HB% 1.0 . 5.46 308 295 A 5 GLN H A 5 GLN HA 1.0 . 3.14 309 296 A 5 GLN HB3 A 5 GLN HA 1.0 . 2.90 310 297 A 54 CYS HB3 A 54 CYS HA 1.0 . 3.64 311 298 A 54 CYS HB3 A 54 CYS H 1.0 . 3.86 312 299 A 53 GLU HB2 A 53 GLU HA 1.0 . 2.90 313 300 A 53 GLU HB3 A 53 GLU HA 1.0 . 2.59 314 301 A 54 CYS H A 53 GLU HA 1.0 . 3.50 315 302 A 53 GLU H A 53 GLU HA 1.0 . 2.93 316 303 A 52 ARG HA A 52 ARG HB3 1.0 . 2.80 317 304 A 52 ARG HA A 52 ARG HB2 1.0 . 2.71 318 305 A 52 ARG HA A 53 GLU H 1.0 . 3.48 319 306 A 52 ARG H A 52 ARG HA 1.0 . 2.90 320 307 A 43 ASN HA A 44 PHE H 1.0 . 2.68 321 308 A 42 ASN H A 41 SER HA 1.0 . 3.30 322 309 A 41 SER HB2 A 41 SER HA 1.0 . 2.52 323 310 A 41 SER H A 41 SER HA 1.0 . 2.86 324 311 A 43 ASN H A 41 SER HA 1.0 . 3.73 325 312 A 41 SER HB3 A 41 SER HA 1.0 . 3.00 326 313 A 3 LYS H A 3 LYS HB3 1.0 . 3.58 327 314 A 2 LYS H A 1 LYS HA 1.0 . 2.77 328 315 A 1 LYS HA A 1 LYS HB2 1.0 . 2.49 329 316 A 3 LYS H A 1 LYS HA 1.0 . 2.93 330 317 A 34 TYR H A 33 ILE HB 1.0 . 4.26 331 318 A 33 ILE H A 33 ILE HB 1.0 . 2.83 332 319 A 33 ILE HA A 33 ILE HB 1.0 . 3.39 333 320 A 30 GLU HA A 29 CYS HA 1.0 . 4.50 334 321 A 30 GLU HA A 30 GLU H 1.0 . 2.90 335 322 A 30 GLU HA A 30 GLU HBx 1.0 . 2.65 336 323 A 28 LYS H A 28 LYS HB3 1.0 . 3.92 337 324 A 28 LYS HA A 28 LYS HB3 1.0 . 3.55 338 325 A 22 TYR H A 22 TYR HA 1.0 . 3.48 339 326 A 29 CYS HA A 22 TYR HA 1.0 . 2.59 340 327 A 23 ASN H A 22 TYR HA 1.0 . 2.52 341 328 A 30 GLU H A 22 TYR HA 1.0 . 3.80 342 329 A 22 TYR HB3 A 22 TYR HA 1.0 . 2.96 343 330 A 22 TYR HB2 A 22 TYR HA 1.0 . 3.14 344 331 A 13 GLY HA2 A 13 GLY HA3 1.0 . 2.52 345 332 A 12 LYS HB3 A 12 LYS HA 1.0 . 3.21 346 333 A 12 LYS HA A 12 LYS HB2 1.0 . 3.05 347 334 A 47 LYS HA A 47 LYS HB3 1.0 . 5.00 348 335 A 42 ASN H A 42 ASN HA 1.0 . 3.11 349 336 A 40 ASN H A 40 ASN HA 1.0 . 3.14 350 337 A 40 ASN HB3 A 40 ASN HA 1.0 . 3.02 351 338 A 40 ASN HB2 A 40 ASN HA 1.0 . 2.93 352 339 A 35 GLY HA3 A 35 GLY HA2 1.0 . 2.74 353 340 A 32 PHE HA A 32 PHE H 1.0 . 3.21 354 341 A 23 ASN H A 29 CYS HA 1.0 . 3.27 355 342 A 29 CYS H A 29 CYS HA 1.0 . 3.21 356 343 A 30 GLU H A 29 CYS HA 1.0 . 2.46 357 344 A 29 CYS HB2 A 29 CYS HA 1.0 . 2.99 358 345 A 29 CYS HB3 A 29 CYS HA 1.0 . 2.99 359 346 A 21 TYR HB2 A 21 TYR HA 1.0 . 2.68 360 347 A 21 TYR HA A 22 TYR H 1.0 . 2.71 361 348 A 21 TYR HA A 21 TYR HB3 1.0 . 2.75 362 349 A 17 PHE H A 16 SER HA 1.0 . 2.74 363 350 A 16 SER HB2 A 16 SER HA 1.0 . 2.74 364 351 A 16 SER H A 16 SER HA 1.0 . 2.71 365 352 A 16 SER HB3 A 16 SER HA 1.0 . 2.74 366 353 A 31 THR H A 31 THR HB 1.0 . 3.80 367 354 A 3 LYS HA A 3 LYS HB3 1.0 . 2.83 368 355 A 3 LYS HA A 3 LYS H 1.0 . 3.02 369 356 A 3 LYS HA A 3 LYS HB2 1.0 . 3.00 370 357 A 5 GLN HA A 5 GLN HB2 1.0 . 3.27 371 358 A 5 GLN H A 5 GLN HB2 1.0 . 3.79 372 359 A 56 GLN HB2 A 56 GLN HA 1.0 . 3.00 373 360 A 56 GLN HB3 A 56 GLN HA 1.0 . 2.74 374 361 A 56 GLN H A 56 GLN HA 1.0 . 2.80 375 362 A 45 LEU H A 44 PHE HA 1.0 . 2.59 376 363 A 46 THR H A 44 PHE HA 1.0 . 3.73 377 364 A 44 PHE HB3 A 44 PHE HA 1.0 . 3.24 378 365 A 44 PHE HA A 44 PHE HB2 1.0 . 3.30 379 366 A 42 ASN H A 41 SER HB2 1.0 . 4.20 380 367 A 38 GLY HA3 A 38 GLY HA2 1.0 . 2.80 381 368 A 34 TYR H A 34 TYR HA 1.0 . 3.58 382 369 A 34 TYR HB3 A 34 TYR HA 1.0 . 3.17 383 370 A 35 GLY H A 34 TYR HA 1.0 . 2.80 384 371 A 34 TYR HB2 A 34 TYR HA 1.0 . 3.36 385 372 A 1 LYS HA A 1 LYS HB3 1.0 . 3.36 386 373 A 1 LYS H1 A 1 LYS HB3 1.0 . 3.95 387 374 A 26 SER H A 26 SER HA 1.0 . 3.05 388 375 A 26 SER HB2 A 26 SER HA 1.0 . 2.40 389 376 A 27 GLY H A 26 SER HA 1.0 . 3.33 390 377 A 26 SER HB3 A 26 SER HA 1.0 . 2.84 391 378 A 30 GLU HA A 30 GLU HBy 1.0 . 3.36 392 379 A 2 LYS H A 2 LYS HB3 1.0 . 3.73 393 380 A 8 SER HBx A 8 SER HA 1.0 . 2.74 394 381 A 8 SER H A 8 SER HA 1.0 . 3.14 395 382 A 8 SER HBy A 8 SER HA 1.0 . 2.77 396 383 A 9 ASP H A 8 SER HA 1.0 . 2.59 397 384 A 59 CYS HB2 A 59 CYS HA 1.0 . 2.77 398 385 A 59 CYS HA A 59 CYS HB3 1.0 . 2.96 399 386 A 43 ASN HA A 43 ASN HB3 1.0 . 3.73 400 387 A 37 VAL HB A 38 GLY H 1.0 . 4.11 401 388 A 26 SER H A 25 GLU HA 1.0 . 3.33 402 389 A 25 GLU HA A 25 GLU HBx 1.0 . 3.50 403 389 A 25 GLU HBy A 25 GLU HA 1.0 . 3.50 404 390 A 25 GLU H A 25 GLU HA 1.0 . 2.83 405 391 A 22 TYR HB3 A 22 TYR H 1.0 . 3.58 406 392 A 14 LYS H A 14 LYS HB3 1.0 . 3.61 407 393 A 28 LYS HA A 28 LYS HB2 1.0 . 3.45 408 394 A 9 ASP HA A 9 ASP HB2 1.0 . 2.96 409 395 A 9 ASP HA A 9 ASP HB3 1.0 . 3.73 410 396 A 58 SER HB2 A 58 SER HA 1.0 . 2.60 411 397 A 58 SER H A 58 SER HA 1.0 . 2.80 412 398 A 59 CYS H A 58 SER HA 1.0 . 3.50 413 399 A 58 SER HB3 A 58 SER HA 1.0 . 2.90 414 400 A 53 GLU HB3 A 53 GLU H 1.0 . 3.33 415 401 A 47 LYS H A 47 LYS HA 1.0 . 5.50 416 402 A 42 ASN HB3 A 42 ASN HA 1.0 . 3.95 417 403 A 39 GLY HA3 A 39 GLY HA2 1.0 . 2.86 418 404 A 31 THR H A 31 THR HA 1.0 . 3.17 419 405 A 31 THR HB A 31 THR HA 1.0 . 2.65 420 406 A 32 PHE H A 31 THR HA 1.0 . 2.49 421 407 A 21 TYR H A 31 THR HA 1.0 . 3.64 422 408 A 19 ARG H A 31 THR HA 1.0 . 4.40 423 409 A 31 THR HA A 20 TYR HA 1.0 . 2.83 424 410 A 28 LYS H A 24 GLU HA 1.0 . 4.20 425 411 A 24 GLU H A 24 GLU HA 1.0 . 2.90 426 412 A 24 GLU HB2 A 24 GLU HA 1.0 . 2.74 427 413 A 27 GLY HA2 A 24 GLU HA 1.0 . 2.90 428 414 A 24 GLU HB3 A 24 GLU HA 1.0 . 3.00 429 415 A 25 GLU H A 24 GLU HA 1.0 . 3.48 430 416 A 27 GLY HA3 A 24 GLU HA 1.0 . 4.19 431 417 A 21 TYR H A 20 TYR HB2 1.0 . 4.89 432 417 A 21 TYR H A 20 TYR HB3 1.0 . 4.89 433 418 A 33 ILE HA A 18 THR HA 1.0 . 2.40 434 419 A 18 THR HA A 19 ARG H 1.0 . 2.49 435 420 A 18 THR HA A 18 THR HB 1.0 . 2.83 436 421 A 18 THR HA A 18 THR H 1.0 . 2.99 437 422 A 11 GLY HA3 A 11 GLY HA2 1.0 . 2.43 438 423 A 11 GLY HA2 A 11 GLY H 1.0 . 3.05 439 424 A 10 VAL HB A 10 VAL H 1.0 . 3.05 440 425 A 52 ARG HB3 A 49 ASP HA 1.0 . 4.36 441 426 A 49 ASP HB2 A 49 ASP HA 1.0 . 3.00 442 427 A 50 CYS H A 49 ASP HA 1.0 . 3.30 443 428 A 49 ASP H A 49 ASP HA 1.0 . 2.93 444 429 A 52 ARG HB2 A 49 ASP HA 1.0 . 4.30 445 430 A 52 ARG H A 49 ASP HA 1.0 . 5.65 446 431 A 49 ASP HB3 A 49 ASP HA 1.0 . 2.49 447 432 A 45 LEU H A 44 PHE HB2 1.0 . 4.00 448 433 A 46 THR H A 44 PHE HB2 1.0 . 3.90 449 434 A 44 PHE H A 44 PHE HB2 1.0 . 4.01 450 435 A 42 ASN H A 41 SER HB3 1.0 . 4.32 451 436 A 36 GLY HA3 A 36 GLY H 1.0 . 5.50 452 437 A 36 GLY HA3 A 36 GLY HA2 1.0 . 2.74 453 438 A 47 LYS HA A 47 LYS HB2 1.0 . 5.28 454 439 A 24 GLU H A 23 ASN HA 1.0 . 2.62 455 440 A 23 ASN H A 23 ASN HA 1.0 . 3.39 456 441 A 23 ASN HBy A 23 ASN HA 1.0 . 3.11 457 442 A 23 ASN HBx A 23 ASN HA 1.0 . 3.42 458 443 A 16 SER H A 15 ALA HA 1.0 . 2.62 459 444 A 15 ALA H A 15 ALA HA 1.0 . 3.02 460 445 A 22 TYR HB2 A 22 TYR H 1.0 . 3.58 461 446 A 2 LYS H A 2 LYS HA 1.0 . 3.33 462 447 A 2 LYS HB2 A 2 LYS HA 1.0 . 2.49 463 448 A 2 LYS HB3 A 2 LYS HA 1.0 . 3.42 464 449 A 3 LYS H A 2 LYS HA 1.0 . 3.30 465 450 A 4 CYS HB3 A 4 CYS HA 1.0 . 3.14 466 451 A 4 CYS H A 4 CYS HA 1.0 . 3.05 467 452 A 4 CYS HB2 A 4 CYS HA 1.0 . 3.08 468 453 A 6 LEU HB2 A 6 LEU HA 1.0 . 2.90 469 454 A 6 LEU HA A 6 LEU HB3 1.0 . 3.21 470 455 A 10 VAL H A 9 ASP HB3 1.0 . 3.89 471 456 A 34 TYR HA A 10 VAL HA 1.0 . 3.05 472 457 A 10 VAL HB A 10 VAL HA 1.0 . 2.71 473 458 A 11 GLY H A 10 VAL HA 1.0 . 3.36 474 459 A 10 VAL H A 10 VAL HA 1.0 . 3.14 475 460 A 54 CYS HB2 A 54 CYS HA 1.0 . 3.67 476 461 A 55 ALA H A 54 CYS HA 1.0 . 3.50 477 462 A 57 GLY H A 54 CYS HA 1.0 . 3.50 478 463 A 54 CYS H A 54 CYS HA 1.0 . 3.05 479 464 A 51 CYS H A 51 CYS HA 1.0 . 3.02 480 465 A 51 CYS HB2 A 51 CYS HA 1.0 . 3.00 481 466 A 51 CYS HB3 A 51 CYS HA 1.0 . 4.45 482 467 A 55 ALA H A 51 CYS HA 1.0 . 4.40 483 468 A 54 CYS H A 51 CYS HA 1.0 . 3.90 484 469 A 53 GLU H A 51 CYS HA 1.0 . 4.32 485 470 A 43 ASN HA A 43 ASN HB2 1.0 . 3.76 486 471 A 37 VAL HA A 38 GLY H 1.0 . 2.77 487 472 A 37 VAL HB A 37 VAL HA 1.0 . 3.11 488 473 A 46 THR HA A 46 THR HB 1.0 . 2.74 489 474 A 32 PHE HA A 32 PHE HB2 1.0 . 3.27 490 475 A 14 LYS HB2 A 14 LYS HA 1.0 . 2.86 491 476 A 14 LYS HA A 14 LYS HB3 1.0 . 2.77 492 477 A 32 PHE HA A 32 PHE HB3 1.0 . 3.17 493 478 A 27 GLY HA2 A 27 GLY HA3 1.0 . 2.65 494 479 A 50 CYS H A 49 ASP HB3 1.0 . 3.55 495 480 A 50 CYS H A 48 GLU HA 1.0 . 4.40 496 481 A 49 ASP H A 48 GLU HA 1.0 . 3.50 497 482 A 48 GLU H A 48 GLU HA 1.0 . 2.86 498 483 A 51 CYS H A 48 GLU HA 1.0 . 3.90 499 484 A 51 CYS HB2 A 48 GLU HA 1.0 . 4.90 500 485 A 48 GLU HB3 A 48 GLU HA 1.0 . 2.74 501 486 A 48 GLU HB2 A 48 GLU HA 1.0 . 2.83 502 487 A 45 LEU HB3 A 45 LEU HA 1.0 . 2.49 503 488 A 45 LEU H A 45 LEU HA 1.0 . 2.93 504 489 A 46 THR H A 45 LEU HA 1.0 . 3.21 505 490 A 45 LEU HB2 A 45 LEU HA 1.0 . 2.90 506 491 A 20 TYR H A 45 LEU HA 1.0 . 3.80 507 492 A 42 ASN HB2 A 42 ASN HA 1.0 . 3.76 508 493 A 50 CYS HB3 A 50 CYS HA 1.0 . 5.50 509 494 A 50 CYS H A 50 CYS HA 1.0 . 4.26 510 495 A 50 CYS HB2 A 50 CYS HA 1.0 . 3.17 511 496 A 57 GLY HA2 A 57 GLY HA3 1.0 . 2.46 512 497 A 30 GLU H A 20 TYR HA 1.0 . 4.50 513 498 A 32 PHE H A 20 TYR HA 1.0 . 3.58 514 499 A 21 TYR H A 20 TYR HA 1.0 . 2.71 515 500 A 20 TYR HA A 20 TYR HB2 1.0 . 4.06 516 500 A 20 TYR HB3 A 20 TYR HA 1.0 . 4.06 517 501 A 20 TYR H A 20 TYR HA 1.0 . 3.55 518 502 A 19 ARG H A 19 ARG HA 1.0 . 5.50 519 503 A 19 ARG HB2 A 19 ARG HA 1.0 . 3.45 520 504 A 19 ARG HBy A 19 ARG HA 1.0 . 2.99 521 505 A 20 TYR H A 19 ARG HA 1.0 . 3.05 522 506 A 44 PHE H A 19 ARG HA 1.0 . 4.14 523 507 A 17 PHE HA A 17 PHE HB3 1.0 . 3.73 524 508 A 55 ALA H A 55 ALA HA 1.0 . 2.83 525 509 A 56 GLN H A 55 ALA HA 1.0 . 3.50 526 510 A 17 PHE HA A 17 PHE HB2 1.0 . 3.45 527 511 A 2 LYS HDy A 2 LYS HEx 1.0 . 6.06 528 511 A 2 LYS HDx A 2 LYS HEx 1.0 . 6.06 529 511 A 2 LYS HEy A 2 LYS HDx 1.0 . 6.06 530 511 A 2 LYS HDy A 2 LYS HEy 1.0 . 6.06 531 512 A 2 LYS HB3 A 2 LYS HDx 1.0 . 3.28 532 512 A 2 LYS HDy A 2 LYS HB3 1.0 . 3.28 533 513 A 2 LYS HG2 A 2 LYS HDx 1.0 . 3.75 534 513 A 2 LYS HDy A 2 LYS HG2 1.0 . 3.75 535 514 A 4 CYS HB3 A 54 CYS HB2 1.0 . 5.10 536 515 A 5 GLN HG3 A 5 GLN HA 1.0 . 3.65 537 516 A 5 GLN HG2 A 5 GLN HA 1.0 . 3.46 538 517 A 12 LYS HB3 A 12 LYS HD3 1.0 . 3.36 539 518 A 12 LYS HB3 A 12 LYS HGx 1.0 . 3.90 540 518 A 12 LYS HB3 A 12 LYS HGy 1.0 . 3.90 541 519 A 12 LYS HB3 A 12 LYS HB2 1.0 . 2.55 542 520 A 4 CYS HB3 A 54 CYS HB3 1.0 . 5.15 543 521 A 54 CYS HB3 A 54 CYS HB2 1.0 . 3.11 544 522 A 53 GLU HG2 A 53 GLU HA 1.0 . 3.55 545 523 A 53 GLU HG3 A 53 GLU HA 1.0 . 3.02 546 524 A 52 ARG HA A 52 ARG HG3 1.0 . 3.39 547 525 A 52 ARG HA A 52 ARG HD2 1.0 . 6.16 548 525 A 52 ARG HA A 52 ARG HD3 1.0 . 6.16 549 526 A 52 ARG HA A 52 ARG HG2 1.0 . 3.05 550 527 A 3 LYS HG3 A 3 LYS HB3 1.0 . 2.71 551 528 A 3 LYS HB3 A 3 LYS HDx 1.0 . 3.31 552 528 A 3 LYS HDy A 3 LYS HB3 1.0 . 3.31 553 529 A 3 LYS HB2 A 3 LYS HB3 1.0 . 2.40 554 530 A 1 LYS HG3 A 1 LYS HB3 1.0 . 3.11 555 531 A 1 LYS HA A 1 LYS HG3 1.0 . 3.08 556 532 A 1 LYS HA A 1 LYS HDx 1.0 . 3.87 557 532 A 1 LYS HA A 1 LYS HDy 1.0 . 3.87 558 533 A 1 LYS HA A 1 LYS HG2 1.0 . 3.64 559 534 A 33 ILE HG13 A 33 ILE HB 1.0 . 2.99 560 535 A 33 ILE HG12 A 33 ILE HB 1.0 . 3.02 561 536 A 30 GLU HA A 30 GLU HGx 1.0 . 4.49 562 536 A 30 GLU HA A 30 GLU HGy 1.0 . 4.49 563 537 A 28 LYS HB2 A 28 LYS HB3 1.0 . 2.40 564 538 A 14 LYS H A 14 LYS HG2 1.0 . 4.48 565 539 A 14 LYS HB2 A 14 LYS HG2 1.0 . 3.64 566 540 A 14 LYS HD3 A 14 LYS HG2 1.0 . 2.40 567 541 A 14 LYS HD2 A 14 LYS HG2 1.0 . 2.90 568 542 A 14 LYS HA A 14 LYS HG2 1.0 . 3.83 569 543 A 28 LYS H A 28 LYS HDy 1.0 . 5.50 570 544 A 28 LYS HB3 A 28 LYS HDy 1.0 . 2.40 571 545 A 28 LYS HG3 A 28 LYS HDy 1.0 . 2.60 572 546 A 21 TYR HB2 A 21 TYR HD% 1.0 . 6.82 573 547 A 21 TYR HB2 A 21 TYR HB3 1.0 . 2.93 574 548 A 14 LYS HB2 A 14 LYS HD3 1.0 . 2.40 575 549 A 14 LYS HB2 A 14 LYS HD2 1.0 . 2.90 576 550 A 14 LYS HB2 A 14 LYS HG3 1.0 . 3.58 577 551 A 12 LYS HB3 A 12 LYS HD2 1.0 . 2.40 578 552 A 12 LYS HA A 12 LYS HD2 1.0 . 4.63 579 553 A 12 LYS H A 12 LYS HD2 1.0 . 5.50 580 554 A 12 LYS HA A 12 LYS HGx 1.0 . 5.36 581 554 A 12 LYS HA A 12 LYS HGy 1.0 . 5.36 582 555 A 58 SER HB2 A 58 SER HG 1.0 . 4.48 583 556 A 56 GLN HB2 A 56 GLN HB3 1.0 . 2.40 584 557 A 47 LYS HB3 A 47 LYS HG2 1.0 . 5.02 585 557 A 47 LYS HB3 A 47 LYS HG3 1.0 . 5.02 586 558 A 47 LYS HB3 A 47 LYS HZ% 1.0 . 6.48 587 559 A 45 LEU HB3 A 45 LEU HB2 1.0 . 2.65 588 560 A 3 LYS HB3 A 3 LYS HG2 1.0 . 5.50 589 561 A 3 LYS HA A 3 LYS HG2 1.0 . 5.47 590 562 A 3 LYS HG3 A 3 LYS HG2 1.0 . 2.40 591 563 A 3 LYS H A 3 LYS HG2 1.0 . 5.50 592 564 A 3 LYS HB2 A 3 LYS HG2 1.0 . 2.80 593 565 A 2 LYS H A 2 LYS HEx 1.0 . 6.38 594 565 A 2 LYS H A 2 LYS HEy 1.0 . 6.38 595 566 A 2 LYS HB3 A 2 LYS HEx 1.0 . 3.84 596 566 A 2 LYS HB3 A 2 LYS HEy 1.0 . 3.84 597 567 A 2 LYS HG2 A 2 LYS HEx 1.0 . 5.02 598 567 A 2 LYS HEy A 2 LYS HG2 1.0 . 5.02 599 568 A 32 PHE HA A 32 PHE HE% 1.0 . 7.63 600 569 A 32 PHE HA A 32 PHE HD% 1.0 . 7.63 601 570 A 29 CYS HA A 30 GLU HGx 1.0 . 5.73 602 570 A 30 GLU HGy A 29 CYS HA 1.0 . 5.73 603 571 A 28 LYS HA A 28 LYS HDy 1.0 . 2.60 604 572 A 28 LYS HA A 28 LYS HEx 1.0 . 5.79 605 572 A 28 LYS HA A 28 LYS HEy 1.0 . 5.79 606 573 A 28 LYS HA A 28 LYS HDx 1.0 . 2.60 607 574 A 28 LYS HA A 28 LYS HG2 1.0 . 4.01 608 575 A 24 GLU HB2 A 24 GLU HG3 1.0 . 2.93 609 576 A 21 TYR HA A 21 TYR HD% 1.0 . 6.76 610 577 A 21 TYR HA A 44 PHE HD% 1.0 . 5.86 611 578 A 19 ARG HG3 A 19 ARG HD3 1.0 . 4.26 612 579 A 19 ARG H A 19 ARG HD3 1.0 . 5.50 613 580 A 19 ARG HD3 A 19 ARG HG2 1.0 . 4.32 614 581 A 19 ARG HB2 A 19 ARG HD3 1.0 . 3.80 615 582 A 19 ARG HD3 A 19 ARG HA 1.0 . 4.76 616 583 A 3 LYS HA A 3 LYS HG3 1.0 . 3.39 617 584 A 3 LYS HA A 6 LEU HG 1.0 . 3.46 618 585 A 3 LYS HA A 3 LYS HDx 1.0 . 3.78 619 585 A 3 LYS HA A 3 LYS HDy 1.0 . 3.78 620 586 A 3 LYS HA A 3 LYS HE2 1.0 . 4.35 621 587 A 5 GLN HG3 A 5 GLN HB2 1.0 . 2.40 622 588 A 5 GLN HG2 A 5 GLN HB2 1.0 . 2.90 623 589 A 5 GLN HB3 A 5 GLN HB2 1.0 . 2.71 624 590 A 56 GLN HA A 56 GLN HG3 1.0 . 3.68 625 591 A 56 GLN HB3 A 56 GLN HG3 1.0 . 2.40 626 592 A 53 GLU HB2 A 53 GLU HG2 1.0 . 3.45 627 593 A 53 GLU HB3 A 53 GLU HG2 1.0 . 3.42 628 594 A 47 LYS HDy A 47 LYS HG2 1.0 . 4.94 629 594 A 47 LYS HDx A 47 LYS HG2 1.0 . 4.94 630 594 A 47 LYS HG3 A 47 LYS HDx 1.0 . 4.94 631 594 A 47 LYS HG3 A 47 LYS HDy 1.0 . 4.94 632 595 A 47 LYS HZ% A 47 LYS HG2 1.0 . 7.36 633 595 A 47 LYS HG3 A 47 LYS HZ% 1.0 . 7.36 634 596 A 47 LYS HB2 A 47 LYS HG2 1.0 . 4.28 635 596 A 47 LYS HB2 A 47 LYS HG3 1.0 . 4.28 636 597 A 44 PHE HA A 44 PHE HE% 1.0 . 7.63 637 598 A 44 PHE HA A 44 PHE HD% 1.0 . 7.63 638 599 A 34 TYR HD% A 34 TYR HA 1.0 . 7.57 639 600 A 3 LYS HB2 A 3 LYS HG3 1.0 . 2.80 640 601 A 3 LYS HG3 A 3 LYS HE2 1.0 . 4.72 641 602 A 2 LYS HB2 A 2 LYS HDx 1.0 . 4.46 642 602 A 2 LYS HB2 A 2 LYS HDy 1.0 . 4.46 643 603 A 2 LYS HB2 A 2 LYS HEx 1.0 . 6.38 644 603 A 2 LYS HB2 A 2 LYS HEy 1.0 . 6.38 645 604 A 2 LYS HB2 A 2 LYS HB3 1.0 . 2.40 646 605 A 2 LYS HB2 A 2 LYS HG2 1.0 . 4.94 647 606 A 2 LYS HB2 A 2 LYS HG3 1.0 . 3.58 648 607 A 1 LYS HB2 A 1 LYS HB3 1.0 . 2.40 649 608 A 1 LYS HB3 A 1 LYS HDx 1.0 . 3.59 650 608 A 1 LYS HDy A 1 LYS HB3 1.0 . 3.59 651 609 A 47 LYS HB3 A 47 LYS HDx 1.0 . 3.28 652 609 A 47 LYS HB3 A 47 LYS HDy 1.0 . 3.28 653 610 A 47 LYS H A 47 LYS HDx 1.0 . 6.38 654 610 A 47 LYS H A 47 LYS HDy 1.0 . 6.38 655 611 A 47 LYS HZ% A 47 LYS HDx 1.0 . 7.36 656 611 A 47 LYS HZ% A 47 LYS HDy 1.0 . 7.36 657 612 A 47 LYS HDx A 47 LYS HEx 1.0 . 6.46 658 612 A 47 LYS HDy A 47 LYS HEx 1.0 . 6.46 659 612 A 47 LYS HEy A 47 LYS HDx 1.0 . 6.46 660 612 A 47 LYS HDy A 47 LYS HEy 1.0 . 6.46 661 613 A 47 LYS HB2 A 47 LYS HDx 1.0 . 3.28 662 613 A 47 LYS HB2 A 47 LYS HDy 1.0 . 3.28 663 614 A 34 TYR HB3 A 34 TYR HD% 1.0 . 7.63 664 615 A 34 TYR HB3 A 32 PHE HE% 1.0 . 7.63 665 616 A 34 TYR HB3 A 34 TYR HB2 1.0 . 3.21 666 617 A 30 GLU HBx A 20 TYR HD% 1.0 . 7.63 667 618 A 23 ASN HBy A 23 ASN HBx 1.0 . 3.02 668 619 A 19 ARG HD3 A 19 ARG HD2 1.0 . 2.71 669 620 A 19 ARG HG3 A 19 ARG HD2 1.0 . 4.63 670 621 A 19 ARG H A 19 ARG HD2 1.0 . 5.50 671 622 A 19 ARG HB2 A 19 ARG HD2 1.0 . 4.94 672 623 A 19 ARG HD2 A 19 ARG HA 1.0 . 4.07 673 624 A 30 GLU HBx A 30 GLU HBy 1.0 . 2.86 674 625 A 28 LYS H A 23 ASN HBx 1.0 . 4.45 675 626 A 4 CYS HB3 A 4 CYS HB2 1.0 . 3.14 676 627 A 12 LYS HD3 A 12 LYS HD2 1.0 . 2.40 677 628 A 12 LYS HA A 12 LYS HD3 1.0 . 4.38 678 629 A 4 CYS HB2 A 54 CYS HB2 1.0 . 4.20 679 630 A 52 ARG HB3 A 52 ARG HB2 1.0 . 2.40 680 631 A 52 ARG HB2 A 52 ARG HG3 1.0 . 3.55 681 632 A 52 ARG HB2 A 52 ARG HD2 1.0 . 5.42 682 632 A 52 ARG HB2 A 52 ARG HD3 1.0 . 5.42 683 633 A 52 ARG HB2 A 52 ARG HG2 1.0 . 2.40 684 634 A 51 CYS HB2 A 51 CYS HB3 1.0 . 3.33 685 635 A 48 GLU HB3 A 48 GLU HG3 1.0 . 3.08 686 636 A 43 ASN HB3 A 34 TYR HD% 1.0 . 7.63 687 637 A 43 ASN HB3 A 32 PHE HE% 1.0 . 7.32 688 638 A 43 ASN HB3 A 43 ASN HB2 1.0 . 2.99 689 639 A 40 ASN HB3 A 40 ASN HB2 1.0 . 2.77 690 640 A 2 LYS H A 2 LYS HG2 1.0 . 5.50 691 641 A 2 LYS HB3 A 2 LYS HG2 1.0 . 2.59 692 642 A 33 ILE HA A 33 ILE HG13 1.0 . 4.14 693 643 A 33 ILE HA A 33 ILE HG12 1.0 . 3.83 694 644 A 29 CYS HB2 A 29 CYS HB3 1.0 . 2.93 695 645 A 28 LYS H A 28 LYS HEx 1.0 . 6.38 696 645 A 28 LYS H A 28 LYS HEy 1.0 . 6.38 697 646 A 28 LYS HB3 A 28 LYS HEx 1.0 . 3.70 698 646 A 28 LYS HB3 A 28 LYS HEy 1.0 . 3.70 699 647 A 28 LYS HDy A 28 LYS HEx 1.0 . 6.38 700 647 A 28 LYS HDy A 28 LYS HEy 1.0 . 6.38 701 648 A 28 LYS HB2 A 28 LYS HEx 1.0 . 4.20 702 648 A 28 LYS HB2 A 28 LYS HEy 1.0 . 4.20 703 649 A 28 LYS HG2 A 28 LYS HEx 1.0 . 4.65 704 649 A 28 LYS HG2 A 28 LYS HEy 1.0 . 4.65 705 650 A 22 TYR HB3 A 54 CYS HB3 1.0 . 4.66 706 651 A 22 TYR HB3 A 54 CYS HB2 1.0 . 4.63 707 652 A 22 TYR HB3 A 22 TYR HB2 1.0 . 3.11 708 653 A 14 LYS H A 14 LYS HEx 1.0 . 6.38 709 653 A 14 LYS H A 14 LYS HEy 1.0 . 6.38 710 654 A 14 LYS HG2 A 14 LYS HEx 1.0 . 4.58 711 654 A 14 LYS HG2 A 14 LYS HEy 1.0 . 4.58 712 655 A 14 LYS HB2 A 14 LYS HEx 1.0 . 5.02 713 655 A 14 LYS HB2 A 14 LYS HEy 1.0 . 5.02 714 656 A 14 LYS HD3 A 14 LYS HEx 1.0 . 3.28 715 656 A 14 LYS HD3 A 14 LYS HEy 1.0 . 3.28 716 657 A 14 LYS HD2 A 14 LYS HEx 1.0 . 3.28 717 657 A 14 LYS HD2 A 14 LYS HEy 1.0 . 3.28 718 658 A 14 LYS HA A 14 LYS HEx 1.0 . 6.04 719 658 A 14 LYS HA A 14 LYS HEy 1.0 . 6.04 720 659 A 14 LYS HB3 A 14 LYS HG2 1.0 . 5.50 721 660 A 14 LYS HB2 A 14 LYS HB3 1.0 . 2.52 722 661 A 14 LYS HB3 A 14 LYS HEx 1.0 . 6.38 723 661 A 14 LYS HB3 A 14 LYS HEy 1.0 . 6.38 724 662 A 14 LYS HB3 A 14 LYS HD3 1.0 . 3.40 725 663 A 14 LYS HB3 A 14 LYS HD2 1.0 . 3.80 726 664 A 14 LYS HB3 A 14 LYS HG3 1.0 . 3.39 727 665 A 28 LYS HB2 A 28 LYS HDy 1.0 . 3.40 728 666 A 19 ARG HBy A 19 ARG HG3 1.0 . 4.42 729 667 A 20 TYR H A 19 ARG HG3 1.0 . 5.50 730 668 A 6 LEU HB2 A 6 LEU HG 1.0 . 2.62 731 669 A 40 ASN HB3 A 6 LEU HG 1.0 . 3.58 732 670 A 6 LEU H A 6 LEU HG 1.0 . 4.20 733 671 A 40 ASN HB2 A 6 LEU HG 1.0 . 3.60 734 672 A 6 LEU HB3 A 6 LEU HG 1.0 . 3.36 735 673 A 58 SER HG A 58 SER HA 1.0 . 3.30 736 674 A 56 GLN HB2 A 56 GLN HG2 1.0 . 2.40 737 675 A 56 GLN HA A 56 GLN HG2 1.0 . 4.04 738 676 A 56 GLN HB3 A 56 GLN HG2 1.0 . 3.27 739 677 A 53 GLU H A 56 GLN HG2 1.0 . 5.10 740 678 A 53 GLU HB2 A 53 GLU HB3 1.0 . 2.40 741 679 A 52 ARG HB3 A 52 ARG HG3 1.0 . 2.55 742 680 A 52 ARG H A 52 ARG HG3 1.0 . 5.34 743 681 A 48 GLU HG2 A 48 GLU HG3 1.0 . 2.40 744 682 A 48 GLU HB3 A 48 GLU HG2 1.0 . 3.27 745 683 A 48 GLU HB2 A 48 GLU HG2 1.0 . 2.99 746 684 A 47 LYS HA A 47 LYS HG2 1.0 . 6.38 747 684 A 47 LYS HA A 47 LYS HG3 1.0 . 6.38 748 685 A 47 LYS HA A 47 LYS HDx 1.0 . 3.28 749 685 A 47 LYS HA A 47 LYS HDy 1.0 . 3.28 750 686 A 47 LYS HA A 47 LYS HZ% 1.0 . 6.48 751 687 A 42 ASN HB3 A 6 LEU HB2 1.0 . 4.42 752 688 A 42 ASN HB3 A 42 ASN HB2 1.0 . 3.14 753 689 A 3 LYS HG2 A 3 LYS HDx 1.0 . 3.28 754 689 A 3 LYS HDy A 3 LYS HG2 1.0 . 3.28 755 690 A 3 LYS HG3 A 3 LYS HDx 1.0 . 3.28 756 690 A 3 LYS HG3 A 3 LYS HDy 1.0 . 3.28 757 691 A 3 LYS HB2 A 3 LYS HDx 1.0 . 3.28 758 691 A 3 LYS HB2 A 3 LYS HDy 1.0 . 3.28 759 692 A 3 LYS HE2 A 3 LYS HDx 1.0 . 5.48 760 692 A 3 LYS HDy A 3 LYS HE2 1.0 . 5.48 761 693 A 1 LYS HB2 A 1 LYS HG3 1.0 . 3.76 762 694 A 50 CYS HB3 A 50 CYS HB2 1.0 . 3.02 763 695 A 44 PHE HB3 A 44 PHE HE% 1.0 . 7.14 764 696 A 44 PHE HB3 A 44 PHE HD% 1.0 . 7.63 765 697 A 32 PHE HD% A 31 THR HA 1.0 . 6.64 766 698 A 28 LYS HB3 A 28 LYS HG3 1.0 . 3.17 767 699 A 28 LYS HA A 28 LYS HG3 1.0 . 4.54 768 700 A 28 LYS HG3 A 28 LYS HEx 1.0 . 6.38 769 700 A 28 LYS HG3 A 28 LYS HEy 1.0 . 6.38 770 701 A 28 LYS HB2 A 28 LYS HG3 1.0 . 3.08 771 702 A 24 GLU HG3 A 24 GLU HA 1.0 . 3.50 772 703 A 20 TYR HD% A 20 TYR HB2 1.0 . 7.89 773 703 A 20 TYR HB3 A 20 TYR HD% 1.0 . 7.89 774 704 A 20 TYR HE% A 20 TYR HB2 1.0 . 8.51 775 704 A 20 TYR HB3 A 20 TYR HE% 1.0 . 8.51 776 705 A 16 SER HB2 A 16 SER HB3 1.0 . 2.40 777 706 A 24 GLU HB2 A 24 GLU HB3 1.0 . 2.40 778 707 A 24 GLU HB3 A 24 GLU HG3 1.0 . 2.40 779 708 A 34 TYR H A 18 THR HB 1.0 . 5.10 780 709 A 5 GLN HG3 A 5 GLN HG2 1.0 . 2.40 781 710 A 8 SER HBx A 8 SER HBy 1.0 . 3.05 782 711 A 12 LYS HD2 A 12 LYS HGx 1.0 . 6.38 783 711 A 12 LYS HGy A 12 LYS HD2 1.0 . 6.38 784 712 A 12 LYS HD3 A 12 LYS HGx 1.0 . 3.28 785 712 A 12 LYS HD3 A 12 LYS HGy 1.0 . 3.28 786 713 A 12 LYS HB2 A 12 LYS HGx 1.0 . 4.15 787 713 A 12 LYS HB2 A 12 LYS HGy 1.0 . 4.15 788 714 A 59 CYS HB2 A 59 CYS HB3 1.0 . 2.40 789 715 A 56 GLN HB2 A 56 GLN HG3 1.0 . 2.40 790 716 A 56 GLN HG2 A 56 GLN HG3 1.0 . 2.40 791 717 A 56 GLN H A 56 GLN HG3 1.0 . 5.04 792 718 A 52 ARG HB3 A 52 ARG HD2 1.0 . 4.15 793 718 A 52 ARG HB3 A 52 ARG HD3 1.0 . 4.15 794 719 A 52 ARG HG3 A 52 ARG HD2 1.0 . 4.43 795 719 A 52 ARG HD3 A 52 ARG HG3 1.0 . 4.43 796 720 A 52 ARG HG2 A 52 ARG HD2 1.0 . 4.21 797 720 A 52 ARG HD3 A 52 ARG HG2 1.0 . 4.21 798 721 A 47 LYS HB3 A 47 LYS HEx 1.0 . 3.34 799 721 A 47 LYS HB3 A 47 LYS HEy 1.0 . 3.34 800 722 A 47 LYS HEy A 47 LYS HG2 1.0 . 7.27 801 722 A 47 LYS HEx A 47 LYS HG2 1.0 . 7.27 802 722 A 47 LYS HG3 A 47 LYS HEx 1.0 . 7.27 803 722 A 47 LYS HG3 A 47 LYS HEy 1.0 . 7.27 804 723 A 47 LYS H A 47 LYS HEx 1.0 . 6.38 805 723 A 47 LYS H A 47 LYS HEy 1.0 . 6.38 806 724 A 47 LYS HA A 47 LYS HEx 1.0 . 6.38 807 724 A 47 LYS HA A 47 LYS HEy 1.0 . 6.38 808 725 A 47 LYS HZ% A 47 LYS HEx 1.0 . 7.36 809 725 A 47 LYS HZ% A 47 LYS HEy 1.0 . 7.36 810 726 A 47 LYS HB2 A 47 LYS HEx 1.0 . 3.28 811 726 A 47 LYS HB2 A 47 LYS HEy 1.0 . 3.28 812 727 A 44 PHE HE% A 44 PHE HB2 1.0 . 6.64 813 728 A 44 PHE HD% A 44 PHE HB2 1.0 . 7.63 814 729 A 44 PHE HB3 A 44 PHE HB2 1.0 . 2.77 815 730 A 41 SER HB3 A 6 LEU HB2 1.0 . 4.20 816 731 A 41 SER HB2 A 41 SER HB3 1.0 . 2.40 817 732 A 3 LYS HB3 A 3 LYS HE2 1.0 . 5.50 818 733 A 3 LYS HG2 A 3 LYS HE2 1.0 . 3.33 819 734 A 3 LYS H A 3 LYS HE2 1.0 . 5.50 820 735 A 3 LYS HB2 A 3 LYS HE2 1.0 . 5.50 821 736 A 1 LYS HG3 A 1 LYS HDx 1.0 . 4.12 822 736 A 1 LYS HG3 A 1 LYS HDy 1.0 . 4.12 823 737 A 1 LYS HB2 A 1 LYS HDx 1.0 . 3.31 824 737 A 1 LYS HB2 A 1 LYS HDy 1.0 . 3.31 825 738 A 1 LYS HG3 A 1 LYS HEx 1.0 . 5.73 826 738 A 1 LYS HG3 A 1 LYS HEy 1.0 . 5.73 827 739 A 1 LYS HA A 1 LYS HEx 1.0 . 6.38 828 739 A 1 LYS HA A 1 LYS HEy 1.0 . 6.38 829 740 A 1 LYS HB3 A 1 LYS HEx 1.0 . 6.38 830 740 A 1 LYS HB3 A 1 LYS HEy 1.0 . 6.38 831 741 A 1 LYS HB2 A 1 LYS HEx 1.0 . 5.70 832 741 A 1 LYS HB2 A 1 LYS HEy 1.0 . 5.70 833 742 A 1 LYS HDx A 1 LYS HEx 1.0 . 6.37 834 742 A 1 LYS HDy A 1 LYS HEx 1.0 . 6.37 835 742 A 1 LYS HEy A 1 LYS HDx 1.0 . 6.37 836 742 A 1 LYS HDy A 1 LYS HEy 1.0 . 6.37 837 743 A 1 LYS H1 A 1 LYS HEx 1.0 . 6.38 838 743 A 1 LYS H1 A 1 LYS HEy 1.0 . 6.38 839 744 A 1 LYS HG2 A 1 LYS HEx 1.0 . 5.20 840 744 A 1 LYS HG2 A 1 LYS HEy 1.0 . 5.20 841 745 A 47 LYS HB3 A 47 LYS HB2 1.0 . 2.40 842 746 A 47 LYS HB2 A 47 LYS HZ% 1.0 . 6.48 843 747 A 30 GLU HBx A 30 GLU HGx 1.0 . 4.06 844 747 A 30 GLU HBx A 30 GLU HGy 1.0 . 4.06 845 748 A 30 GLU HBy A 30 GLU HGx 1.0 . 4.40 846 748 A 30 GLU HBy A 30 GLU HGy 1.0 . 4.40 847 749 A 28 LYS HB3 A 28 LYS HDx 1.0 . 3.40 848 750 A 28 LYS HDx A 28 LYS HDy 1.0 . 5.50 849 751 A 28 LYS HDx A 28 LYS HEx 1.0 . 6.13 850 751 A 28 LYS HDx A 28 LYS HEy 1.0 . 6.13 851 752 A 28 LYS HB2 A 28 LYS HDx 1.0 . 3.90 852 753 A 28 LYS HG3 A 28 LYS HDx 1.0 . 2.90 853 754 A 14 LYS HD3 A 14 LYS HD2 1.0 . 2.40 854 755 A 14 LYS HA A 14 LYS HD2 1.0 . 4.45 855 756 A 19 ARG HD2 A 19 ARG HG2 1.0 . 5.00 856 757 A 19 ARG HG3 A 19 ARG HG2 1.0 . 3.30 857 758 A 19 ARG H A 19 ARG HG2 1.0 . 5.50 858 759 A 19 ARG HBy A 19 ARG HG2 1.0 . 4.26 859 760 A 20 TYR H A 19 ARG HG2 1.0 . 5.50 860 761 A 19 ARG HA A 19 ARG HG2 1.0 . 5.34 861 762 A 28 LYS HB3 A 28 LYS HG2 1.0 . 3.00 862 763 A 28 LYS HG2 A 28 LYS HDy 1.0 . 5.50 863 764 A 29 CYS H A 28 LYS HG2 1.0 . 5.50 864 765 A 28 LYS HB2 A 28 LYS HG2 1.0 . 2.96 865 766 A 28 LYS HG3 A 28 LYS HG2 1.0 . 2.40 866 767 A 28 LYS HDx A 28 LYS HG2 1.0 . 3.92 867 768 A 14 LYS HG3 A 14 LYS HG2 1.0 . 2.40 868 769 A 14 LYS HG3 A 14 LYS HEx 1.0 . 6.13 869 769 A 14 LYS HG3 A 14 LYS HEy 1.0 . 6.13 870 770 A 14 LYS HD3 A 14 LYS HG3 1.0 . 2.90 871 771 A 14 LYS HD2 A 14 LYS HG3 1.0 . 2.40 872 772 A 15 ALA H A 14 LYS HG3 1.0 . 5.50 873 773 A 2 LYS HA A 2 LYS HDx 1.0 . 4.21 874 773 A 2 LYS HDy A 2 LYS HA 1.0 . 4.21 875 774 A 2 LYS HA A 2 LYS HEx 1.0 . 6.38 876 774 A 2 LYS HA A 2 LYS HEy 1.0 . 6.38 877 775 A 2 LYS HA A 2 LYS HG2 1.0 . 4.17 878 776 A 2 LYS HG3 A 2 LYS HA 1.0 . 3.33 879 777 A 6 LEU HA A 6 LEU HG 1.0 . 3.98 880 778 A 9 ASP HB2 A 9 ASP HB3 1.0 . 2.96 881 779 A 12 LYS HB2 A 12 LYS HD2 1.0 . 5.50 882 780 A 12 LYS HB2 A 12 LYS HD3 1.0 . 3.79 883 781 A 58 SER HB2 A 58 SER HB3 1.0 . 2.40 884 782 A 58 SER HB3 A 58 SER HG 1.0 . 4.07 885 783 A 48 GLU HB2 A 48 GLU HG3 1.0 . 2.40 886 784 A 48 GLU HB3 A 48 GLU HB2 1.0 . 2.43 887 785 A 45 LEU HB3 A 45 LEU HG 1.0 . 2.60 888 786 A 45 LEU H A 45 LEU HG 1.0 . 3.33 889 787 A 45 LEU HB2 A 45 LEU HG 1.0 . 2.90 890 788 A 43 ASN HB2 A 34 TYR HD% 1.0 . 7.63 891 789 A 43 ASN HB2 A 32 PHE HE% 1.0 . 7.35 892 790 A 2 LYS HG3 A 2 LYS HDx 1.0 . 4.03 893 790 A 2 LYS HDy A 2 LYS HG3 1.0 . 4.03 894 791 A 2 LYS HG3 A 2 LYS HEx 1.0 . 6.38 895 791 A 2 LYS HG3 A 2 LYS HEy 1.0 . 6.38 896 792 A 2 LYS HG3 A 2 LYS HB3 1.0 . 2.46 897 793 A 2 LYS HG3 A 2 LYS HG2 1.0 . 2.40 898 794 A 33 ILE HG13 A 33 ILE HG12 1.0 . 2.40 899 795 A 32 PHE HB2 A 32 PHE HE% 1.0 . 7.63 900 796 A 32 PHE HB2 A 32 PHE HD% 1.0 . 6.82 901 797 A 32 PHE HB2 A 32 PHE HB3 1.0 . 2.90 902 798 A 21 TYR HB3 A 21 TYR HD% 1.0 . 6.92 903 799 A 19 ARG HB2 A 19 ARG HG3 1.0 . 4.72 904 800 A 19 ARG HB2 A 19 ARG HG2 1.0 . 4.60 905 801 A 19 ARG HB2 A 19 ARG HBy 1.0 . 3.52 906 802 A 44 PHE H A 19 ARG HB2 1.0 . 5.50 907 803 A 14 LYS HA A 14 LYS HD3 1.0 . 5.50 908 804 A 14 LYS HA A 14 LYS HG3 1.0 . 3.48 909 805 A 32 PHE HB3 A 32 PHE HE% 1.0 . 7.04 910 806 A 32 PHE HB3 A 32 PHE HD% 1.0 . 6.64 911 807 A 19 ARG HBy A 19 ARG HD3 1.0 . 5.31 912 808 A 19 ARG HBy A 19 ARG HD2 1.0 . 5.50 913 809 A 19 ARG HBy A 21 TYR HD% 1.0 . 7.63 914 810 A 44 PHE H A 19 ARG HBy 1.0 . 5.50 915 811 A 5 GLN HB3 A 5 GLN HG3 1.0 . 2.90 916 812 A 5 GLN HB3 A 5 GLN HG2 1.0 . 2.52 917 813 A 42 ASN H A 6 LEU HB3 1.0 . 4.72 918 814 A 6 LEU HB2 A 6 LEU HB3 1.0 . 3.11 919 815 A 41 SER HB3 A 6 LEU HB3 1.0 . 5.10 920 816 A 42 ASN HB2 A 6 LEU HB3 1.0 . 4.85 921 817 A 53 GLU HB2 A 53 GLU HG3 1.0 . 3.45 922 818 A 53 GLU HG2 A 53 GLU HG3 1.0 . 2.40 923 819 A 53 GLU HB3 A 53 GLU HG3 1.0 . 3.48 924 820 A 52 ARG HB3 A 52 ARG HG2 1.0 . 2.90 925 821 A 52 ARG HG2 A 52 ARG HG3 1.0 . 2.40 926 822 A 49 ASP HB2 A 49 ASP HB3 1.0 . 2.40 927 823 A 48 GLU HA A 48 GLU HG3 1.0 . 2.99 928 824 A 48 GLU HA A 48 GLU HG2 1.0 . 3.76 929 825 A 48 GLU HA A 47 LYS HEx 1.0 . 4.49 930 825 A 48 GLU HA A 47 LYS HEy 1.0 . 4.49 931 826 A 19 ARG HD2 A 45 LEU HA 1.0 . 3.17 932 827 A 45 LEU HA A 45 LEU HG 1.0 . 3.45 933 828 A 42 ASN HB2 A 6 LEU HB2 1.0 . 4.14 934 829 A 34 TYR HB2 A 34 TYR HD% 1.0 . 7.63 935 830 A 3 LYS HB3 A 3 LYS HE3 1.0 . 5.50 936 831 A 3 LYS HG2 A 3 LYS HE3 1.0 . 5.50 937 832 A 3 LYS HA A 3 LYS HE3 1.0 . 5.50 938 833 A 3 LYS HG3 A 3 LYS HE3 1.0 . 3.14 939 834 A 3 LYS HE3 A 3 LYS HDx 1.0 . 5.45 940 834 A 3 LYS HDy A 3 LYS HE3 1.0 . 5.45 941 835 A 3 LYS H A 3 LYS HE3 1.0 . 5.50 942 836 A 3 LYS HB2 A 3 LYS HE3 1.0 . 4.54 943 837 A 3 LYS HE2 A 3 LYS HE3 1.0 . 2.40 944 838 A 1 LYS HG3 A 1 LYS HG2 1.0 . 2.40 945 839 A 1 LYS HB3 A 1 LYS HG2 1.0 . 5.50 946 840 A 1 LYS HB2 A 1 LYS HG2 1.0 . 3.17 947 841 A 1 LYS HG2 A 1 LYS HDx 1.0 . 4.03 948 841 A 1 LYS HDy A 1 LYS HG2 1.0 . 4.03 949 842 A 1 LYS H1 A 1 LYS HG2 1.0 . 5.50 950 843 A 26 SER HB2 A 26 SER HB3 1.0 . 2.86 951 844 A 20 TYR HD% A 20 TYR HA 1.0 . 6.70 952 845 A 20 TYR HE% A 20 TYR HA 1.0 . 7.32 953 846 A 19 ARG HG3 A 19 ARG HA 1.0 . 4.42 954 847 A 24 GLU H A 24 GLU HG2 1.0 . 4.76 955 848 A 24 GLU HB2 A 24 GLU HG2 1.0 . 2.40 956 849 A 24 GLU HA A 24 GLU HG2 1.0 . 4.35 957 850 A 24 GLU HB3 A 24 GLU HG2 1.0 . 3.33 958 851 A 25 GLU H A 24 GLU HG2 1.0 . 5.50 959 852 A 24 GLU HG3 A 24 GLU HG2 1.0 . 2.40 960 853 A 34 TYR H A 17 PHE HB2 1.0 . 5.50 961 854 A 17 PHE HB3 A 17 PHE HB2 1.0 . 2.80 962 855 A 14 LYS H A 15 ALA HB1 1.0 . 5.22 963 856 A 16 SER H A 15 ALA HB1 1.0 . 3.88 964 857 A 36 GLY HA3 A 15 ALA HB1 1.0 . 5.12 965 858 A 15 ALA H A 15 ALA HB1 1.0 . 3.88 966 859 A 36 GLY HA2 A 15 ALA HB1 1.0 . 4.97 967 860 A 45 LEU HB3 A 46 THR HG2% 1.0 . 5.25 968 861 A 33 ILE HG2% A 16 SER HA 1.0 . 3.42 969 862 A 31 THR HB A 31 THR HG2% 1.0 . 3.64 970 863 A 35 GLY H A 10 VAL HG1% 1.0 . 5.96 971 864 A 10 VAL HB A 10 VAL HG1% 1.0 . 3.45 972 865 A 11 GLY H A 10 VAL HG1% 1.0 . 4.81 973 866 A 10 VAL H A 10 VAL HG1% 1.0 . 3.79 974 867 A 46 THR HA A 46 THR HG2% 1.0 . 4.32 975 868 A 38 GLY H A 37 VAL HG1% 1.0 . 5.43 976 869 A 37 VAL HB A 37 VAL HG1% 1.0 . 3.79 977 870 A 34 TYR HA A 10 VAL HG2% 1.0 . 4.57 978 871 A 31 THR HB A 18 THR HG2% 1.0 . 3.70 979 872 A 32 PHE H A 18 THR HG2% 1.0 . 5.40 980 873 A 19 ARG H A 18 THR HG2% 1.0 . 4.81 981 874 A 18 THR H A 18 THR HG2% 1.0 . 5.06 982 875 A 31 THR HG2% A 18 THR HG2% 1.0 . 5.09 983 876 A 59 CYS HB2 A 55 ALA HB% 1.0 . 4.44 984 877 A 56 GLN H A 55 ALA HB% 1.0 . 4.84 985 878 A 59 CYS HB3 A 55 ALA HB% 1.0 . 4.16 986 879 A 54 CYS H A 55 ALA HB% 1.0 . 4.66 987 880 A 6 LEU HB2 A 6 LEU HD1% 1.0 . 5.92 988 880 A 6 LEU HB2 A 6 LEU HD2% 1.0 . 5.92 989 881 A 6 LEU HA A 6 LEU HD1% 1.0 . 5.95 990 881 A 6 LEU HA A 6 LEU HD2% 1.0 . 5.95 991 882 A 6 LEU HB3 A 6 LEU HD1% 1.0 . 6.76 992 882 A 6 LEU HB3 A 6 LEU HD2% 1.0 . 6.76 993 883 A 37 VAL HB A 37 VAL HG2% 1.0 . 3.85 994 884 A 45 LEU HB3 A 45 LEU HD2% 1.0 . 3.76 995 885 A 45 LEU H A 45 LEU HD2% 1.0 . 5.31 996 886 A 46 THR H A 45 LEU HD2% 1.0 . 6.12 997 887 A 45 LEU HB2 A 45 LEU HD2% 1.0 . 4.35 998 888 A 45 LEU HG A 45 LEU HD2% 1.0 . 4.01 999 889 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.79 1000 890 A 6 LEU HG A 6 LEU HD1% 1.0 . 4.50 1001 890 A 6 LEU HG A 6 LEU HD2% 1.0 . 4.50 1002 891 A 45 LEU HB2 A 46 THR HG2% 1.0 . 5.25 1003 892 A 31 THR HG2% A 31 THR HA 1.0 . 3.67 1004 893 A 18 THR HA A 18 THR HG2% 1.0 . 3.85 1005 894 A 18 THR HA A 33 ILE HG2% 1.0 . 4.26 1006 895 A 18 THR HB A 18 THR HG2% 1.0 . 3.64 1007 896 A 37 VAL H A 37 VAL HG2% 1.0 . 4.66 1008 897 A 14 LYS H A 37 VAL HG2% 1.0 . 6.36 1009 898 A 13 GLY HA2 A 37 VAL HG2% 1.0 . 4.50 1010 899 A 37 VAL HG1% A 37 VAL HG2% 1.0 . 4.44 1011 900 A 13 GLY HA3 A 37 VAL HG2% 1.0 . 5.03 1012 901 A 33 ILE HG2% A 33 ILE HB 1.0 . 3.51 1013 902 A 33 ILE HG13 A 33 ILE HG2% 1.0 . 3.88 1014 903 A 33 ILE H A 33 ILE HG2% 1.0 . 4.88 1015 904 A 16 SER HB2 A 33 ILE HG2% 1.0 . 4.38 1016 905 A 16 SER HB3 A 33 ILE HG2% 1.0 . 4.63 1017 906 A 18 THR H A 33 ILE HG2% 1.0 . 5.19 1018 907 A 33 ILE HG12 A 33 ILE HG2% 1.0 . 4.01 1019 908 A 15 ALA HA A 15 ALA HB1 1.0 . 3.42 1020 909 A 10 VAL HA A 10 VAL HG1% 1.0 . 3.98 1021 910 A 10 VAL HA A 10 VAL HG2% 1.0 . 4.04 1022 911 A 51 CYS HA A 55 ALA HB% 1.0 . 3.60 1023 912 A 37 VAL HA A 37 VAL HG1% 1.0 . 3.76 1024 913 A 37 VAL HA A 37 VAL HG2% 1.0 . 3.76 1025 914 A 46 THR HB A 46 THR HG2% 1.0 . 3.60 1026 915 A 45 LEU HB3 A 45 LEU HD1% 1.0 . 3.85 1027 916 A 45 LEU H A 45 LEU HD1% 1.0 . 5.37 1028 917 A 46 THR H A 45 LEU HD1% 1.0 . 6.24 1029 918 A 45 LEU HD2% A 45 LEU HD1% 1.0 . 4.44 1030 919 A 45 LEU HB2 A 45 LEU HD1% 1.0 . 3.82 1031 920 A 45 LEU HG A 45 LEU HD1% 1.0 . 4.19 1032 921 A 10 VAL HG1% A 10 VAL HG2% 1.0 . 4.44 1033 922 A 35 GLY H A 10 VAL HG2% 1.0 . 5.28 1034 923 A 10 VAL HB A 10 VAL HG2% 1.0 . 3.45 1035 924 A 11 GLY H A 10 VAL HG2% 1.0 . 4.97 1036 925 A 10 VAL H A 10 VAL HG2% 1.0 . 3.91 1037 926 A 45 LEU HA A 45 LEU HD2% 1.0 . 4.07 1038 927 A 45 LEU HA A 45 LEU HD1% 1.0 . 4.32 1039 928 A 31 THR HG2% A 20 TYR HA 1.0 . 5.28 1040 929 A 55 ALA HB% A 55 ALA HA 1.0 . 3.42 stop_ save_