data_nef_c34194_6ewt 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6EWT stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 LYS middle . . 3 A 3 ASN middle . . 4 A 4 ALA middle . . 5 A 5 ALA middle . . 6 A 6 LYS middle . . 7 A 7 ILE middle . . 8 A 8 VAL middle . . 9 A 9 ASN middle . . 10 A 10 GLU middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 ASN middle . . 14 A 14 GLN middle . . 15 A 15 GLY middle . false 16 A 16 ILE middle . . 17 A 17 THR middle . . 18 A 18 LEU middle . . 19 A 19 PHE middle . . 20 A 20 VAL middle . . 21 A 21 SER middle . . 22 A 22 ASP middle . . 23 A 23 ASN middle . . 24 A 24 LYS middle . . 25 A 25 LEU middle . . 26 A 26 LYS middle . . 27 A 27 TYR middle . . 28 A 28 LYS middle . . 29 A 29 THR middle . . 30 A 30 ASN middle . . 31 A 31 ARG middle . . 32 A 32 ASP middle . . 33 A 33 SER middle . . 34 A 34 ILE middle . . 35 A 35 PRO middle . false 36 A 36 SER middle . . 37 A 37 GLU middle . . 38 A 38 LEU middle . . 39 A 39 LEU middle . . 40 A 40 GLU middle . . 41 A 41 GLU middle . . 42 A 42 TRP middle . . 43 A 43 LYS middle . . 44 A 44 GLN middle . . 45 A 45 HIS middle . . 46 A 46 LYS middle . . 47 A 47 GLN middle . . 48 A 48 GLU middle . . 49 A 49 LEU middle . . 50 A 50 ILE middle . . 51 A 51 ASP middle . . 52 A 52 PHE middle . . 53 A 53 LEU middle . . 54 A 54 THR middle . . 55 A 55 GLN middle . . 56 A 56 LEU middle . . 57 A 57 GLU middle . . 58 A 58 SER middle . . 59 A 59 GLU middle . . 60 A 60 GLU middle . . 61 A 61 GLU middle . . 62 A 62 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 MET HA H 1 3.994 0.020 A 1 MET HB2 H 1 2.537 0.020 A 1 MET HB3 H 1 2.537 0.020 A 1 MET HG2 H 1 2.065 0.020 A 1 MET HG3 H 1 2.065 0.020 A 1 MET C C 13 172.559 0.3 A 1 MET CA C 13 55.188 0.3 A 1 MET CB C 13 30.996 0.3 A 1 MET CG C 13 33.618 0.3 A 2 LYS H H 1 8.589 0.020 A 2 LYS HA H 1 4.205 0.020 A 2 LYS HBx H 1 1.547 0.020 A 2 LYS HBy H 1 1.589 0.020 A 2 LYS HD2 H 1 1.505 0.020 A 2 LYS HD3 H 1 1.505 0.020 A 2 LYS HE2 H 1 2.816 0.020 A 2 LYS HE3 H 1 2.816 0.020 A 2 LYS HGy H 1 1.360 0.020 A 2 LYS HGx H 1 1.303 0.020 A 2 LYS C C 13 172.030 0.3 A 2 LYS CA C 13 56.442 0.3 A 2 LYS CB C 13 33.871 0.3 A 2 LYS CD C 13 29.353 0.3 A 2 LYS CE C 13 41.676 0.3 A 2 LYS CG C 13 25.241 0.3 A 2 LYS N N 15 119.684 0.3 A 3 ASN H H 1 8.129 0.020 A 3 ASN HA H 1 4.521 0.020 A 3 ASN HBx H 1 2.698 0.020 A 3 ASN HBy H 1 2.894 0.020 A 3 ASN HD21 H 1 6.713 0.020 A 3 ASN HD22 H 1 7.694 0.020 A 3 ASN C C 13 171.854 0.3 A 3 ASN CA C 13 52.737 0.3 A 3 ASN CB C 13 38.942 0.3 A 3 ASN N N 15 120.042 0.3 A 3 ASN ND2 N 15 112.195 0.3 A 4 ALA H H 1 8.419 0.020 A 4 ALA HA H 1 3.515 0.020 A 4 ALA HB% H 1 0.970 0.020 A 4 ALA C C 13 173.658 0.3 A 4 ALA CA C 13 55.245 0.3 A 4 ALA CB C 13 19.245 0.3 A 4 ALA N N 15 121.461 0.3 A 5 ALA H H 1 7.537 0.020 A 5 ALA HA H 1 3.151 0.020 A 5 ALA HB% H 1 1.107 0.020 A 5 ALA C C 13 176.396 0.3 A 5 ALA CA C 13 54.841 0.3 A 5 ALA CB C 13 17.845 0.3 A 5 ALA N N 15 117.696 0.3 A 6 LYS H H 1 7.417 0.020 A 6 LYS HA H 1 3.958 0.020 A 6 LYS HBx H 1 1.769 0.020 A 6 LYS HBy H 1 1.859 0.020 A 6 LYS HD2 H 1 1.628 0.020 A 6 LYS HD3 H 1 1.628 0.020 A 6 LYS HE2 H 1 2.903 0.020 A 6 LYS HE3 H 1 2.903 0.020 A 6 LYS HGy H 1 1.388 0.020 A 6 LYS HGx H 1 1.283 0.020 A 6 LYS C C 13 174.672 0.3 A 6 LYS CA C 13 58.841 0.3 A 6 LYS CB C 13 32.210 0.3 A 6 LYS CD C 13 29.325 0.3 A 6 LYS CE C 13 41.889 0.3 A 6 LYS CG C 13 24.586 0.3 A 6 LYS N N 15 118.340 0.3 A 7 ILE H H 1 7.562 0.020 A 7 ILE HA H 1 3.616 0.020 A 7 ILE HB H 1 1.713 0.020 A 7 ILE HD1% H 1 0.143 0.020 A 7 ILE HG1y H 1 1.457 0.020 A 7 ILE HG1x H 1 0.784 0.020 A 7 ILE HG2% H 1 0.954 0.020 A 7 ILE C C 13 175.628 0.3 A 7 ILE CA C 13 65.337 0.3 A 7 ILE CB C 13 37.937 0.3 A 7 ILE CD1 C 13 12.772 0.3 A 7 ILE CG1 C 13 28.928 0.3 A 7 ILE CG2 C 13 18.799 0.3 A 7 ILE N N 15 120.241 0.3 A 8 VAL H H 1 8.395 0.020 A 8 VAL HA H 1 3.443 0.020 A 8 VAL HB H 1 2.035 0.020 A 8 VAL HGx% H 1 1.056 0.020 A 8 VAL HGy% H 1 0.953 0.020 A 8 VAL C C 13 174.658 0.3 A 8 VAL CA C 13 67.328 0.3 A 8 VAL CB C 13 31.627 0.3 A 8 VAL CG1 C 13 21.377 0.3 A 8 VAL CG2 C 13 24.270 0.3 A 8 VAL N N 15 121.288 0.3 A 9 ASN H H 1 8.097 0.020 A 9 ASN HA H 1 4.478 0.020 A 9 ASN HBx H 1 2.752 0.020 A 9 ASN HBy H 1 2.863 0.020 A 9 ASN HD21 H 1 7.011 0.020 A 9 ASN HD22 H 1 7.593 0.020 A 9 ASN C C 13 173.861 0.3 A 9 ASN CA C 13 56.890 0.3 A 9 ASN CB C 13 38.806 0.3 A 9 ASN N N 15 120.007 0.3 A 9 ASN ND2 N 15 112.337 0.3 A 10 GLU H H 1 8.723 0.020 A 10 GLU HA H 1 4.018 0.020 A 10 GLU HB2 H 1 2.166 0.020 A 10 GLU HB3 H 1 2.166 0.020 A 10 GLU HG2 H 1 2.504 0.020 A 10 GLU HG3 H 1 2.504 0.020 A 10 GLU C C 13 175.816 0.3 A 10 GLU CA C 13 59.319 0.3 A 10 GLU CB C 13 29.131 0.3 A 10 GLU CG C 13 36.853 0.3 A 10 GLU N N 15 121.110 0.3 A 11 ALA H H 1 7.998 0.020 A 11 ALA HA H 1 4.094 0.020 A 11 ALA HB% H 1 1.582 0.020 A 11 ALA C C 13 176.639 0.3 A 11 ALA CA C 13 55.949 0.3 A 11 ALA CB C 13 16.715 0.3 A 11 ALA N N 15 122.746 0.3 A 12 LEU H H 1 8.217 0.020 A 12 LEU HA H 1 4.169 0.020 A 12 LEU HBx H 1 1.768 0.020 A 12 LEU HBy H 1 1.852 0.020 A 12 LEU HDx% H 1 1.766 0.020 A 12 LEU HDy% H 1 0.905 0.020 A 12 LEU HG H 1 0.928 0.020 A 12 LEU C C 13 178.278 0.3 A 12 LEU CA C 13 58.273 0.3 A 12 LEU CB C 13 41.779 0.3 A 12 LEU CD1 C 13 26.738 0.3 A 12 LEU CD2 C 13 24.442 0.3 A 12 LEU CG C 13 23.977 0.3 A 12 LEU N N 15 121.983 0.3 A 13 ASN H H 1 8.295 0.020 A 13 ASN HA H 1 4.501 0.020 A 13 ASN HB2 H 1 2.904 0.020 A 13 ASN HB3 H 1 2.904 0.020 A 13 ASN HD21 H 1 6.830 0.020 A 13 ASN HD22 H 1 7.292 0.020 A 13 ASN C C 13 172.587 0.3 A 13 ASN CA C 13 55.483 0.3 A 13 ASN CB C 13 38.299 0.3 A 13 ASN N N 15 119.185 0.3 A 13 ASN ND2 N 15 111.771 0.3 A 14 GLN H H 1 7.644 0.020 A 14 GLN HA H 1 4.518 0.020 A 14 GLN HBy H 1 2.363 0.020 A 14 GLN HBx H 1 2.005 0.020 A 14 GLN HE21 H 1 6.832 0.020 A 14 GLN HE22 H 1 7.290 0.020 A 14 GLN HG2 H 1 2.386 0.020 A 14 GLN HG3 H 1 2.386 0.020 A 14 GLN C C 13 171.602 0.3 A 14 GLN CA C 13 55.242 0.3 A 14 GLN CB C 13 29.214 0.3 A 14 GLN CG C 13 33.806 0.3 A 14 GLN N N 15 117.162 0.3 A 14 GLN NE2 N 15 111.814 0.3 A 15 GLY H H 1 8.022 0.020 A 15 GLY HAy H 1 4.197 0.020 A 15 GLY HAx H 1 3.906 0.020 A 15 GLY C C 13 172.007 0.3 A 15 GLY CA C 13 46.275 0.3 A 15 GLY N N 15 106.804 0.3 A 16 ILE H H 1 8.694 0.020 A 16 ILE HA H 1 4.516 0.020 A 16 ILE HB H 1 1.647 0.020 A 16 ILE HD1% H 1 0.970 0.020 A 16 ILE HG12 H 1 1.509 0.020 A 16 ILE HG13 H 1 1.509 0.020 A 16 ILE HG2% H 1 0.792 0.020 A 16 ILE C C 13 170.414 0.3 A 16 ILE CA C 13 61.007 0.3 A 16 ILE CB C 13 41.050 0.3 A 16 ILE CD1 C 13 16.399 0.3 A 16 ILE CG1 C 13 27.324 0.3 A 16 ILE CG2 C 13 19.460 0.3 A 16 ILE N N 15 124.921 0.3 A 17 THR H H 1 8.948 0.020 A 17 THR HA H 1 4.210 0.020 A 17 THR HB H 1 4.024 0.020 A 17 THR HG2% H 1 1.105 0.020 A 17 THR C C 13 170.241 0.3 A 17 THR CA C 13 62.197 0.3 A 17 THR CB C 13 69.901 0.3 A 17 THR CG2 C 13 20.883 0.3 A 17 THR N N 15 124.681 0.3 A 18 LEU H H 1 7.852 0.020 A 18 LEU HA H 1 4.905 0.020 A 18 LEU HBx H 1 0.985 0.020 A 18 LEU HBy H 1 1.461 0.020 A 18 LEU HDx% H 1 -0.500 0.020 A 18 LEU HDy% H 1 0.037 0.020 A 18 LEU HG H 1 0.986 0.020 A 18 LEU C C 13 171.718 0.3 A 18 LEU CA C 13 54.014 0.3 A 18 LEU CB C 13 44.131 0.3 A 18 LEU CD1 C 13 21.365 0.3 A 18 LEU CD2 C 13 25.256 0.3 A 18 LEU CG C 13 26.866 0.3 A 18 LEU N N 15 128.372 0.3 A 19 PHE H H 1 8.639 0.020 A 19 PHE HA H 1 4.689 0.020 A 19 PHE HB2 H 1 2.949 0.020 A 19 PHE HB3 H 1 2.949 0.020 A 19 PHE HDy H 1 6.939 0.020 A 19 PHE HDx H 1 6.863 0.020 A 19 PHE HEy H 1 6.918 0.020 A 19 PHE HEx H 1 6.891 0.020 A 19 PHE HZ H 1 7.037 0.020 A 19 PHE C C 13 167.015 0.3 A 19 PHE CA C 13 56.199 0.3 A 19 PHE CB C 13 39.974 0.3 A 19 PHE CD1 C 13 132.768 0.3 A 19 PHE CD2 C 13 132.768 0.3 A 19 PHE CE1 C 13 130.829 0.3 A 19 PHE CE2 C 13 130.367 0.3 A 19 PHE CZ C 13 130.443 0.3 A 19 PHE N N 15 117.867 0.3 A 20 VAL H H 1 8.541 0.020 A 20 VAL HA H 1 4.854 0.020 A 20 VAL HB H 1 1.673 0.020 A 20 VAL HGx% H 1 0.791 0.020 A 20 VAL HGy% H 1 0.700 0.020 A 20 VAL C C 13 172.196 0.3 A 20 VAL CA C 13 59.636 0.3 A 20 VAL CB C 13 34.071 0.3 A 20 VAL CG1 C 13 23.329 0.3 A 20 VAL CG2 C 13 21.135 0.3 A 20 VAL N N 15 117.936 0.3 A 21 SER H H 1 8.237 0.020 A 21 SER HA H 1 4.553 0.020 A 21 SER HBy H 1 3.694 0.020 A 21 SER HBx H 1 3.372 0.020 A 21 SER C C 13 170.924 0.3 A 21 SER CA C 13 56.957 0.3 A 21 SER CB C 13 64.588 0.3 A 21 SER N N 15 119.917 0.3 A 22 ASP H H 1 9.431 0.020 A 22 ASP HA H 1 4.146 0.020 A 22 ASP HBy H 1 2.854 0.020 A 22 ASP HBx H 1 2.437 0.020 A 22 ASP C C 13 171.211 0.3 A 22 ASP CA C 13 55.559 0.3 A 22 ASP CB C 13 39.675 0.3 A 22 ASP N N 15 129.044 0.3 A 23 ASN H H 1 8.699 0.020 A 23 ASN HA H 1 3.905 0.020 A 23 ASN HBy H 1 3.001 0.020 A 23 ASN HBx H 1 2.707 0.020 A 23 ASN HD21 H 1 6.766 0.020 A 23 ASN HD22 H 1 7.462 0.020 A 23 ASN C C 13 169.328 0.3 A 23 ASN CA C 13 54.505 0.3 A 23 ASN CB C 13 38.178 0.3 A 23 ASN N N 15 109.453 0.3 A 23 ASN ND2 N 15 112.431 0.3 A 24 LYS H H 1 7.609 0.020 A 24 LYS HA H 1 4.460 0.020 A 24 LYS HB2 H 1 1.648 0.020 A 24 LYS HB3 H 1 1.648 0.020 A 24 LYS HD2 H 1 1.522 0.020 A 24 LYS HD3 H 1 1.522 0.020 A 24 LYS HE2 H 1 2.753 0.020 A 24 LYS HE3 H 1 2.753 0.020 A 24 LYS HG2 H 1 1.386 0.020 A 24 LYS HG3 H 1 1.386 0.020 A 24 LYS C C 13 170.588 0.3 A 24 LYS CA C 13 54.485 0.3 A 24 LYS CB C 13 35.077 0.3 A 24 LYS CD C 13 29.100 0.3 A 24 LYS CE C 13 38.715 0.3 A 24 LYS CG C 13 24.391 0.3 A 24 LYS N N 15 117.507 0.3 A 25 LEU H H 1 8.411 0.020 A 25 LEU HA H 1 4.197 0.020 A 25 LEU HBy H 1 1.728 0.020 A 25 LEU HBx H 1 1.035 0.020 A 25 LEU HDx% H 1 0.738 0.020 A 25 LEU HDy% H 1 0.594 0.020 A 25 LEU HG H 1 1.259 0.020 A 25 LEU C C 13 171.269 0.3 A 25 LEU CA C 13 54.754 0.3 A 25 LEU CB C 13 42.288 0.3 A 25 LEU CD1 C 13 26.795 0.3 A 25 LEU CD2 C 13 24.233 0.3 A 25 LEU CG C 13 26.867 0.3 A 25 LEU N N 15 122.490 0.3 A 26 LYS H H 1 8.741 0.020 A 26 LYS HA H 1 4.142 0.020 A 26 LYS HBx H 1 -0.300 0.020 A 26 LYS HBy H 1 0.946 0.020 A 26 LYS HDx H 1 1.296 0.020 A 26 LYS HDy H 1 1.393 0.020 A 26 LYS HEx H 1 2.705 0.020 A 26 LYS HEy H 1 2.777 0.020 A 26 LYS HG2 H 1 0.874 0.020 A 26 LYS HG3 H 1 0.874 0.020 A 26 LYS C C 13 169.002 0.3 A 26 LYS CA C 13 53.632 0.3 A 26 LYS CB C 13 35.899 0.3 A 26 LYS CD C 13 29.030 0.3 A 26 LYS CE C 13 41.914 0.3 A 26 LYS CG C 13 24.831 0.3 A 26 LYS N N 15 128.833 0.3 A 27 TYR H H 1 7.146 0.020 A 27 TYR HA H 1 5.557 0.020 A 27 TYR HBy H 1 2.528 0.020 A 27 TYR HBx H 1 2.403 0.020 A 27 TYR HDy H 1 6.769 0.020 A 27 TYR HDx H 1 6.619 0.020 A 27 TYR HE1 H 1 6.771 0.020 A 27 TYR HE2 H 1 6.771 0.020 A 27 TYR C C 13 171.298 0.3 A 27 TYR CA C 13 54.544 0.3 A 27 TYR CB C 13 41.220 0.3 A 27 TYR CD1 C 13 133.937 0.3 A 27 TYR CD2 C 13 133.954 0.3 A 27 TYR CE1 C 13 117.965 0.3 A 27 TYR CE2 C 13 117.965 0.3 A 27 TYR N N 15 111.254 0.3 A 28 LYS H H 1 8.792 0.020 A 28 LYS HA H 1 4.884 0.020 A 28 LYS HB2 H 1 1.783 0.020 A 28 LYS HB3 H 1 1.783 0.020 A 28 LYS HDx H 1 1.294 0.020 A 28 LYS HDy H 1 1.389 0.020 A 28 LYS HEx H 1 2.550 0.020 A 28 LYS HEy H 1 2.615 0.020 A 28 LYS HG2 H 1 1.360 0.020 A 28 LYS HG3 H 1 1.360 0.020 A 28 LYS C C 13 170.834 0.3 A 28 LYS CA C 13 54.616 0.3 A 28 LYS CB C 13 35.441 0.3 A 28 LYS CD C 13 29.205 0.3 A 28 LYS CE C 13 41.900 0.3 A 28 LYS CG C 13 24.356 0.3 A 28 LYS N N 15 120.277 0.3 A 29 THR H H 1 8.776 0.020 A 29 THR HA H 1 4.831 0.020 A 29 THR HB H 1 4.362 0.020 A 29 THR HG2% H 1 1.203 0.020 A 29 THR C C 13 167.271 0.3 A 29 THR CA C 13 60.670 0.3 A 29 THR CB C 13 69.382 0.3 A 29 THR CG2 C 13 18.220 0.3 A 29 THR N N 15 118.567 0.3 A 30 ASN H H 1 8.739 0.020 A 30 ASN HA H 1 4.948 0.020 A 30 ASN HBx H 1 2.757 0.020 A 30 ASN HBy H 1 2.897 0.020 A 30 ASN HD21 H 1 6.899 0.020 A 30 ASN HD22 H 1 7.603 0.020 A 30 ASN C C 13 172.408 0.3 A 30 ASN CA C 13 52.964 0.3 A 30 ASN CB C 13 38.595 0.3 A 30 ASN N N 15 123.205 0.3 A 30 ASN ND2 N 15 112.449 0.3 A 31 ARG H H 1 8.418 0.020 A 31 ARG HA H 1 4.268 0.020 A 31 ARG HBx H 1 1.663 0.020 A 31 ARG HBy H 1 2.166 0.020 A 31 ARG HDx H 1 2.998 0.020 A 31 ARG HDy H 1 3.584 0.020 A 31 ARG HG2 H 1 1.763 0.020 A 31 ARG HG3 H 1 1.763 0.020 A 31 ARG C C 13 173.650 0.3 A 31 ARG CA C 13 56.197 0.3 A 31 ARG CB C 13 31.981 0.3 A 31 ARG CD C 13 43.842 0.3 A 31 ARG CG C 13 27.254 0.3 A 31 ARG N N 15 122.059 0.3 A 32 ASP H H 1 8.590 0.020 A 32 ASP HA H 1 4.397 0.020 A 32 ASP HB2 H 1 2.676 0.020 A 32 ASP HB3 H 1 2.676 0.020 A 32 ASP C C 13 172.109 0.3 A 32 ASP CA C 13 55.654 0.3 A 32 ASP CB C 13 41.127 0.3 A 32 ASP N N 15 119.561 0.3 A 33 SER H H 1 7.544 0.020 A 33 SER HA H 1 4.492 0.020 A 33 SER HBx H 1 3.647 0.020 A 33 SER HBy H 1 3.742 0.020 A 33 SER C C 13 168.474 0.3 A 33 SER CA C 13 56.869 0.3 A 33 SER CB C 13 64.606 0.3 A 33 SER N N 15 110.659 0.3 A 34 ILE H H 1 8.347 0.020 A 34 ILE HA H 1 4.418 0.020 A 34 ILE HB H 1 1.592 0.020 A 34 ILE HD1% H 1 0.546 0.020 A 34 ILE HG1x H 1 1.057 0.020 A 34 ILE HG1y H 1 1.176 0.020 A 34 ILE HG2% H 1 0.598 0.020 A 34 ILE C C 13 169.951 0.3 A 34 ILE CA C 13 56.776 0.3 A 34 ILE CB C 13 39.351 0.3 A 34 ILE CD1 C 13 12.409 0.3 A 34 ILE CG1 C 13 26.781 0.3 A 34 ILE CG2 C 13 17.536 0.3 A 34 ILE N N 15 121.868 0.3 A 35 PRO HA H 1 4.283 0.020 A 35 PRO HBy H 1 2.407 0.020 A 35 PRO HBx H 1 1.689 0.020 A 35 PRO HDy H 1 3.822 0.020 A 35 PRO HDx H 1 3.299 0.020 A 35 PRO HGy H 1 1.994 0.020 A 35 PRO HGx H 1 1.933 0.020 A 35 PRO C C 13 174.235 0.3 A 35 PRO CA C 13 63.106 0.3 A 35 PRO CB C 13 32.573 0.3 A 35 PRO CD C 13 51.000 0.3 A 35 PRO CG C 13 27.556 0.3 A 36 SER H H 1 8.825 0.020 A 36 SER HA H 1 3.810 0.020 A 36 SER HB2 H 1 3.806 0.020 A 36 SER HB3 H 1 3.806 0.020 A 36 SER C C 13 172.529 0.3 A 36 SER CA C 13 62.258 0.3 A 36 SER CB C 13 62.566 0.3 A 36 SER N N 15 122.018 0.3 A 37 GLU H H 1 9.556 0.020 A 37 GLU HA H 1 3.893 0.020 A 37 GLU HB2 H 1 1.824 0.020 A 37 GLU HB3 H 1 1.824 0.020 A 37 GLU HG2 H 1 2.163 0.020 A 37 GLU HG3 H 1 2.163 0.020 A 37 GLU C C 13 175.483 0.3 A 37 GLU CA C 13 59.391 0.3 A 37 GLU CB C 13 28.064 0.3 A 37 GLU CG C 13 35.858 0.3 A 37 GLU N N 15 120.275 0.3 A 38 LEU H H 1 6.837 0.020 A 38 LEU HA H 1 3.616 0.020 A 38 LEU HBy H 1 1.012 0.020 A 38 LEU HBx H 1 0.538 0.020 A 38 LEU HDx% H 1 1.203 0.020 A 38 LEU HDy% H 1 0.714 0.020 A 38 LEU HG H 1 0.689 0.020 A 38 LEU C C 13 172.022 0.3 A 38 LEU CA C 13 56.911 0.3 A 38 LEU CB C 13 40.321 0.3 A 38 LEU CD1 C 13 27.141 0.3 A 38 LEU CD2 C 13 24.767 0.3 A 38 LEU CG C 13 23.216 0.3 A 38 LEU N N 15 120.779 0.3 A 39 LEU H H 1 6.270 0.020 A 39 LEU HA H 1 3.144 0.020 A 39 LEU HBy H 1 1.488 0.020 A 39 LEU HBx H 1 1.253 0.020 A 39 LEU HDx% H 1 0.735 0.020 A 39 LEU HDy% H 1 0.677 0.020 A 39 LEU HG H 1 1.128 0.020 A 39 LEU C C 13 176.569 0.3 A 39 LEU CA C 13 57.654 0.3 A 39 LEU CB C 13 41.405 0.3 A 39 LEU CD1 C 13 25.504 0.3 A 39 LEU CD2 C 13 23.603 0.3 A 39 LEU CG C 13 26.791 0.3 A 39 LEU N N 15 115.901 0.3 A 40 GLU H H 1 7.636 0.020 A 40 GLU HA H 1 3.918 0.020 A 40 GLU HB2 H 1 1.846 0.020 A 40 GLU HB3 H 1 1.846 0.020 A 40 GLU HG2 H 1 2.192 0.020 A 40 GLU HG3 H 1 2.192 0.020 A 40 GLU C C 13 174.412 0.3 A 40 GLU CA C 13 58.613 0.3 A 40 GLU CB C 13 29.116 0.3 A 40 GLU CG C 13 35.487 0.3 A 40 GLU N N 15 116.393 0.3 A 41 GLU H H 1 7.191 0.020 A 41 GLU HA H 1 4.115 0.020 A 41 GLU HBy H 1 2.069 0.020 A 41 GLU HBx H 1 1.981 0.020 A 41 GLU HG2 H 1 2.254 0.020 A 41 GLU HG3 H 1 2.254 0.020 A 41 GLU C C 13 175.715 0.3 A 41 GLU CA C 13 59.741 0.3 A 41 GLU CB C 13 29.533 0.3 A 41 GLU CG C 13 36.463 0.3 A 41 GLU N N 15 122.314 0.3 A 42 TRP H H 1 8.329 0.020 A 42 TRP HA H 1 4.370 0.020 A 42 TRP HBy H 1 3.211 0.020 A 42 TRP HBx H 1 2.879 0.020 A 42 TRP HD1 H 1 6.412 0.020 A 42 TRP HE1 H 1 10.882 0.020 A 42 TRP HE3 H 1 7.232 0.020 A 42 TRP HH2 H 1 6.509 0.020 A 42 TRP HZ2 H 1 6.911 0.020 A 42 TRP HZ3 H 1 6.034 0.020 A 42 TRP C C 13 174.889 0.3 A 42 TRP CA C 13 57.552 0.3 A 42 TRP CB C 13 27.906 0.3 A 42 TRP CD1 C 13 123.314 0.3 A 42 TRP CE3 C 13 120.529 0.3 A 42 TRP CH2 C 13 123.480 0.3 A 42 TRP CZ2 C 13 112.597 0.3 A 42 TRP CZ3 C 13 121.547 0.3 A 42 TRP N N 15 120.165 0.3 A 42 TRP NE1 N 15 128.983 0.3 A 43 LYS H H 1 7.746 0.020 A 43 LYS HA H 1 3.965 0.020 A 43 LYS HB2 H 1 1.943 0.020 A 43 LYS HB3 H 1 1.943 0.020 A 43 LYS HD2 H 1 1.646 0.020 A 43 LYS HE2 H 1 2.900 0.020 A 43 LYS HE3 H 1 2.900 0.020 A 43 LYS HGy H 1 1.576 0.020 A 43 LYS HGx H 1 1.330 0.020 A 43 LYS C C 13 176.251 0.3 A 43 LYS CA C 13 59.846 0.3 A 43 LYS CB C 13 32.456 0.3 A 43 LYS CD C 13 29.485 0.3 A 43 LYS CE C 13 41.711 0.3 A 43 LYS CG C 13 25.019 0.3 A 43 LYS N N 15 117.245 0.3 A 44 GLN H H 1 8.077 0.020 A 44 GLN HA H 1 3.977 0.020 A 44 GLN HBy H 1 2.059 0.020 A 44 GLN HBx H 1 1.897 0.020 A 44 GLN HE21 H 1 6.827 0.020 A 44 GLN HE22 H 1 7.569 0.020 A 44 GLN HGy H 1 2.338 0.020 A 44 GLN HGx H 1 2.225 0.020 A 44 GLN C C 13 173.123 0.3 A 44 GLN CA C 13 57.865 0.3 A 44 GLN CB C 13 28.421 0.3 A 44 GLN CG C 13 33.378 0.3 A 44 GLN N N 15 117.868 0.3 A 44 GLN NE2 N 15 111.969 0.3 A 45 HIS H H 1 7.585 0.020 A 45 HIS HA H 1 4.975 0.020 A 45 HIS HBy H 1 3.480 0.020 A 45 HIS HBx H 1 2.638 0.020 A 45 HIS HD2 H 1 7.468 0.020 A 45 HIS HE1 H 1 8.308 0.020 A 45 HIS C C 13 171.153 0.3 A 45 HIS CA C 13 54.666 0.3 A 45 HIS CB C 13 28.394 0.3 A 45 HIS CD2 C 13 123.059 0.3 A 45 HIS CE1 C 13 137.174 0.3 A 45 HIS N N 15 115.053 0.3 A 46 LYS H H 1 6.921 0.020 A 46 LYS HA H 1 3.824 0.020 A 46 LYS HBy H 1 2.176 0.020 A 46 LYS HBx H 1 1.819 0.020 A 46 LYS HDx H 1 1.749 0.020 A 46 LYS HDy H 1 1.834 0.020 A 46 LYS HE2 H 1 2.986 0.020 A 46 LYS HE3 H 1 2.986 0.020 A 46 LYS HGx H 1 1.346 0.020 A 46 LYS HGy H 1 1.427 0.020 A 46 LYS C C 13 173.514 0.3 A 46 LYS CA C 13 61.854 0.3 A 46 LYS CB C 13 32.816 0.3 A 46 LYS CD C 13 29.439 0.3 A 46 LYS CE C 13 41.695 0.3 A 46 LYS CG C 13 24.124 0.3 A 46 LYS N N 15 122.115 0.3 A 47 GLN H H 1 8.636 0.020 A 47 GLN HA H 1 3.800 0.020 A 47 GLN HBy H 1 2.099 0.020 A 47 GLN HBx H 1 1.971 0.020 A 47 GLN HE21 H 1 6.961 0.020 A 47 GLN HE22 H 1 7.892 0.020 A 47 GLN HG2 H 1 2.354 0.020 A 47 GLN HG3 H 1 2.354 0.020 A 47 GLN C C 13 173.896 0.3 A 47 GLN CA C 13 58.568 0.3 A 47 GLN CB C 13 28.090 0.3 A 47 GLN CG C 13 33.613 0.3 A 47 GLN N N 15 117.725 0.3 A 47 GLN NE2 N 15 116.421 0.3 A 48 GLU H H 1 8.295 0.020 A 48 GLU HA H 1 4.124 0.020 A 48 GLU HBy H 1 2.233 0.020 A 48 GLU HBx H 1 2.086 0.020 A 48 GLU HG2 H 1 2.393 0.020 A 48 GLU HG3 H 1 2.393 0.020 A 48 GLU C C 13 176.682 0.3 A 48 GLU CA C 13 59.392 0.3 A 48 GLU CB C 13 29.605 0.3 A 48 GLU CG C 13 36.744 0.3 A 48 GLU N N 15 119.029 0.3 A 49 LEU H H 1 8.444 0.020 A 49 LEU HA H 1 3.941 0.020 A 49 LEU HBy H 1 2.166 0.020 A 49 LEU HBx H 1 1.031 0.020 A 49 LEU HDx% H 1 0.872 0.020 A 49 LEU HDy% H 1 0.686 0.020 A 49 LEU HG H 1 1.686 0.020 A 49 LEU C C 13 174.209 0.3 A 49 LEU CA C 13 58.313 0.3 A 49 LEU CB C 13 42.391 0.3 A 49 LEU CD1 C 13 26.647 0.3 A 49 LEU CD2 C 13 24.119 0.3 A 49 LEU CG C 13 27.348 0.3 A 49 LEU N N 15 120.550 0.3 A 50 ILE H H 1 8.511 0.020 A 50 ILE HA H 1 3.406 0.020 A 50 ILE HB H 1 1.813 0.020 A 50 ILE HD1% H 1 0.703 0.020 A 50 ILE HG12 H 1 0.596 0.020 A 50 ILE HG13 H 1 0.596 0.020 A 50 ILE HG2% H 1 0.745 0.020 A 50 ILE C C 13 175.628 0.3 A 50 ILE CA C 13 65.823 0.3 A 50 ILE CB C 13 38.045 0.3 A 50 ILE CD1 C 13 13.609 0.3 A 50 ILE CG1 C 13 30.066 0.3 A 50 ILE CG2 C 13 16.565 0.3 A 50 ILE N N 15 120.584 0.3 A 51 ASP H H 1 8.802 0.020 A 51 ASP HA H 1 4.224 0.020 A 51 ASP HBx H 1 2.630 0.020 A 51 ASP HBy H 1 2.724 0.020 A 51 ASP C C 13 174.281 0.3 A 51 ASP CA C 13 57.634 0.3 A 51 ASP CB C 13 40.002 0.3 A 51 ASP N N 15 122.097 0.3 A 52 PHE H H 1 7.962 0.020 A 52 PHE HA H 1 4.223 0.020 A 52 PHE HBy H 1 3.238 0.020 A 52 PHE HBx H 1 2.912 0.020 A 52 PHE HDx H 1 7.275 0.020 A 52 PHE HDy H 1 7.323 0.020 A 52 PHE HEy H 1 7.109 0.020 A 52 PHE HEx H 1 7.046 0.020 A 52 PHE HZ H 1 7.452 0.020 A 52 PHE C C 13 173.847 0.3 A 52 PHE CA C 13 61.020 0.3 A 52 PHE CB C 13 40.754 0.3 A 52 PHE CD1 C 13 131.443 0.3 A 52 PHE CD2 C 13 131.431 0.3 A 52 PHE CE1 C 13 131.169 0.3 A 52 PHE CE2 C 13 131.278 0.3 A 52 PHE CZ C 13 128.919 0.3 A 52 PHE N N 15 120.025 0.3 A 53 LEU H H 1 8.608 0.020 A 53 LEU HA H 1 3.835 0.020 A 53 LEU HBy H 1 1.831 0.020 A 53 LEU HBx H 1 1.367 0.020 A 53 LEU HDx% H 1 0.460 0.020 A 53 LEU HDy% H 1 0.929 0.020 A 53 LEU HG H 1 1.859 0.020 A 53 LEU C C 13 175.657 0.3 A 53 LEU CA C 13 56.960 0.3 A 53 LEU CB C 13 42.393 0.3 A 53 LEU CD1 C 13 26.561 0.3 A 53 LEU CD2 C 13 22.702 0.3 A 53 LEU CG C 13 27.836 0.3 A 53 LEU N N 15 118.268 0.3 A 54 THR H H 1 8.045 0.020 A 54 THR HA H 1 4.051 0.020 A 54 THR HB H 1 4.271 0.020 A 54 THR HG2% H 1 1.191 0.020 A 54 THR C C 13 171.906 0.3 A 54 THR CA C 13 64.783 0.3 A 54 THR CB C 13 69.267 0.3 A 54 THR CG2 C 13 21.170 0.3 A 54 THR N N 15 113.382 0.3 A 55 GLN H H 1 7.474 0.020 A 55 GLN HA H 1 4.123 0.020 A 55 GLN HB2 H 1 2.032 0.020 A 55 GLN HB3 H 1 2.032 0.020 A 55 GLN HE21 H 1 6.733 0.020 A 55 GLN HE22 H 1 7.433 0.020 A 55 GLN HGx H 1 2.293 0.020 A 55 GLN HGy H 1 2.388 0.020 A 55 GLN C C 13 173.007 0.3 A 55 GLN CA C 13 57.008 0.3 A 55 GLN CB C 13 28.258 0.3 A 55 GLN CG C 13 33.620 0.3 A 55 GLN N N 15 121.343 0.3 A 55 GLN NE2 N 15 112.284 0.3 A 56 LEU H H 1 7.640 0.020 A 56 LEU HA H 1 4.028 0.020 A 56 LEU HB2 H 1 1.434 0.020 A 56 LEU HB3 H 1 1.434 0.020 A 56 LEU HDx% H 1 0.671 0.020 A 56 LEU HDy% H 1 0.730 0.020 A 56 LEU HG H 1 1.408 0.020 A 56 LEU C C 13 174.180 0.3 A 56 LEU CA C 13 56.010 0.3 A 56 LEU CB C 13 42.199 0.3 A 56 LEU CD1 C 13 23.263 0.3 A 56 LEU CD2 C 13 24.867 0.3 A 56 LEU CG C 13 26.511 0.3 A 56 LEU N N 15 121.227 0.3 A 57 GLU H H 1 7.916 0.020 A 57 GLU HA H 1 4.185 0.020 A 57 GLU HBx H 1 1.953 0.020 A 57 GLU HBy H 1 2.037 0.020 A 57 GLU HGx H 1 2.190 0.020 A 57 GLU HGy H 1 2.269 0.020 A 57 GLU C C 13 172.963 0.3 A 57 GLU CA C 13 56.761 0.3 A 57 GLU CB C 13 29.867 0.3 A 57 GLU CG C 13 36.196 0.3 A 57 GLU N N 15 119.926 0.3 A 58 SER H H 1 8.050 0.020 A 58 SER HA H 1 4.369 0.020 A 58 SER HB2 H 1 3.815 0.020 A 58 SER HB3 H 1 3.815 0.020 A 58 SER C C 13 170.852 0.3 A 58 SER CA C 13 58.479 0.3 A 58 SER CB C 13 63.879 0.3 A 58 SER N N 15 115.988 0.3 A 59 GLU H H 1 8.282 0.020 A 59 GLU HA H 1 4.245 0.020 A 59 GLU HBy H 1 2.017 0.020 A 59 GLU HBx H 1 1.860 0.020 A 59 GLU HG2 H 1 2.243 0.020 A 59 GLU HG3 H 1 2.243 0.020 A 59 GLU C C 13 172.721 0.3 A 59 GLU CA C 13 56.463 0.3 A 59 GLU CB C 13 30.387 0.3 A 59 GLU CG C 13 36.222 0.3 A 59 GLU N N 15 122.855 0.3 A 60 GLU H H 1 8.272 0.020 A 60 GLU HA H 1 4.248 0.020 A 60 GLU HBy H 1 2.014 0.020 A 60 GLU HBx H 1 1.865 0.020 A 60 GLU HG2 H 1 2.173 0.020 A 60 GLU HG3 H 1 2.173 0.020 A 60 GLU C C 13 172.572 0.3 A 60 GLU CA C 13 56.390 0.3 A 60 GLU CB C 13 30.395 0.3 A 60 GLU CG C 13 36.028 0.3 A 60 GLU N N 15 121.745 0.3 A 61 GLU H H 1 8.403 0.020 A 61 GLU HA H 1 4.209 0.020 A 61 GLU HBy H 1 2.014 0.020 A 61 GLU HBx H 1 1.868 0.020 A 61 GLU HG2 H 1 2.240 0.020 A 61 GLU HG3 H 1 2.240 0.020 A 61 GLU C C 13 171.880 0.3 A 61 GLU CA C 13 56.367 0.3 A 61 GLU CB C 13 30.404 0.3 A 61 GLU CG C 13 36.236 0.3 A 61 GLU N N 15 122.842 0.3 A 62 SER H H 1 7.994 0.020 A 62 SER HA H 1 4.271 0.020 A 62 SER HB2 H 1 3.771 0.020 A 62 SER HB3 H 1 3.771 0.020 A 62 SER C C 13 174.938 0.3 A 62 SER CA C 13 59.898 0.3 A 62 SER CB C 13 65.259 0.3 A 62 SER N N 15 123.034 0.3 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 21 SER HA A 22 ASP H 1.0 . 3.28 2 2 A 22 ASP H A 23 ASN HA 1.0 . 5.24 3 3 A 22 ASP H A 21 SER HBy 1.0 . 4.80 4 4 A 22 ASP H A 21 SER HBx 1.0 . 4.98 5 5 A 42 TRP H A 42 TRP HE1 1.0 . 5.13 6 6 A 42 TRP HE1 A 7 ILE HA 1.0 . 5.02 7 7 A 42 TRP HE1 A 38 LEU HA 1.0 . 5.26 8 8 A 42 TRP HE1 A 18 LEU HBx 1.0 . 5.38 9 9 A 42 TRP HE1 A 7 ILE HG2% 1.0 . 3.14 10 10 A 42 TRP HE1 A 38 LEU HBx 1.0 . 4.36 11 11 A 42 TRP HE1 A 42 TRP HA 1.0 . 4.72 12 12 A 42 TRP HE1 A 41 GLU HBx 1.0 . 4.87 13 13 A 42 TRP HE1 A 11 ALA HB% 1.0 . 3.53 14 14 A 42 TRP HE1 A 16 ILE HG2% 1.0 . 4.67 15 15 A 42 TRP HE1 A 38 LEU HG 1.0 . 3.39 16 16 A 42 TRP HE1 A 7 ILE HD1% 1.0 . 5.38 17 17 A 42 TRP HE1 A 18 LEU HDx% 1.0 . 3.69 18 18 A 22 ASP H A 24 LYS HB3 1.0 . 5.48 19 19 A 20 VAL H A 26 LYS H 1.0 . 4.77 20 20 A 26 LYS H A 20 VAL HA 1.0 . 3.56 21 21 A 26 LYS H A 25 LEU HA 1.0 . 2.80 22 22 A 26 LYS H A 26 LYS HDx 1.0 . 4.63 23 23 A 26 LYS H A 20 VAL HGy% 1.0 . 4.91 24 24 A 26 LYS H A 50 ILE HG12 1.0 . 5.49 25 25 A 26 LYS H A 53 LEU HDx% 1.0 . 4.73 26 26 A 26 LYS H A 26 LYS HBy 1.0 . 3.53 27 27 A 26 LYS H A 25 LEU H 1.0 . 4.67 28 28 A 26 LYS H A 19 PHE HD% 1.0 . 4.91 29 29 A 26 LYS H A 25 LEU HBx 1.0 . 4.52 30 30 A 26 LYS H A 25 LEU HG 1.0 . 4.76 31 31 A 26 LYS H A 26 LYS HDy 1.0 . 5.08 32 32 A 26 LYS H A 25 LEU HBy 1.0 . 4.39 33 33 A 26 LYS H A 26 LYS HBx 1.0 . 3.62 34 34 A 26 LYS H A 20 VAL HGx% 1.0 . 4.91 35 35 A 26 LYS H A 27 TYR H 1.0 . 4.49 36 36 A 18 LEU H A 28 LYS H 1.0 . 5.17 37 37 A 18 LEU H A 27 TYR HA 1.0 . 4.86 38 38 A 18 LEU H A 8 VAL HA 1.0 . 5.00 39 39 A 18 LEU H A 17 THR HA 1.0 . 2.73 40 40 A 18 LEU H A 12 LEU HG 1.0 . 5.08 41 41 A 11 ALA HB% A 18 LEU H 1.0 . 4.10 42 42 A 18 LEU HBx A 18 LEU H 1.0 . 3.30 43 43 A 18 LEU H A 17 THR HG2% 1.0 . 3.29 44 44 A 18 LEU H A 18 LEU HG 1.0 . 3.20 45 45 A 16 ILE HG2% A 18 LEU H 1.0 . 4.15 46 46 A 18 LEU HDx% A 18 LEU H 1.0 . 4.08 47 47 A 16 ILE H A 38 LEU HDy% 1.0 . 5.47 48 48 A 16 ILE H A 12 LEU H 1.0 . 4.40 49 49 A 16 ILE H A 14 GLN H 1.0 . 3.78 50 50 A 16 ILE H A 29 THR HB 1.0 . 5.23 51 51 A 16 ILE H A 12 LEU HA 1.0 . 2.99 52 52 A 16 ILE H A 11 ALA HA 1.0 . 4.39 53 53 A 16 ILE H A 14 GLN HBx 1.0 . 5.11 54 54 A 16 ILE H A 14 GLN HBy 1.0 . 4.53 55 55 A 16 ILE H A 12 LEU HBy 1.0 . 4.90 56 56 A 16 ILE H A 16 ILE HB 1.0 . 3.19 57 57 A 16 ILE H A 16 ILE HG12 1.0 . 3.48 58 57 A 16 ILE H A 16 ILE HG13 1.0 . 3.48 59 58 A 16 ILE H A 16 ILE HD1% 1.0 . 3.64 60 59 A 16 ILE HG2% A 16 ILE H 1.0 . 3.94 61 60 A 17 THR H A 29 THR HA 1.0 . 3.96 62 61 A 17 THR H A 16 ILE HA 1.0 . 2.85 63 62 A 17 THR H A 17 THR HB 1.0 . 3.03 64 63 A 17 THR H A 27 TYR HBy 1.0 . 5.07 65 64 A 17 THR H A 28 LYS HB2 1.0 . 4.08 66 64 A 17 THR H A 28 LYS HB3 1.0 . 4.08 67 65 A 17 THR H A 16 ILE HG12 1.0 . 4.20 68 65 A 16 ILE HG13 A 17 THR H 1.0 . 4.20 69 66 A 17 THR H A 28 LYS HG2 1.0 . 5.29 70 66 A 17 THR H A 28 LYS HG3 1.0 . 5.29 71 67 A 16 ILE HG2% A 17 THR H 1.0 . 3.12 72 68 A 17 THR H A 18 LEU HDy% 1.0 . 5.50 73 69 A 28 LYS H A 17 THR H 1.0 . 3.62 74 70 A 16 ILE H A 17 THR H 1.0 . 4.46 75 71 A 18 LEU H A 17 THR H 1.0 . 4.40 76 72 A 27 TYR HA A 17 THR H 1.0 . 4.92 77 73 A 29 THR HB A 17 THR H 1.0 . 4.06 78 74 A 16 ILE HB A 17 THR H 1.0 . 4.42 79 75 A 17 THR H A 29 THR HG2% 1.0 . 4.72 80 76 A 17 THR H A 27 TYR HD% 1.0 . 5.04 81 77 A 29 THR HG2% A 30 ASN H 1.0 . 5.07 82 78 A 29 THR HB A 30 ASN H 1.0 . 5.27 83 79 A 61 GLU H A 60 GLU HBy 1.0 . 4.42 84 80 A 57 GLU H A 59 GLU H 1.0 . 4.87 85 81 A 61 GLU H A 60 GLU H 1.0 . 3.38 86 82 A 61 GLU H A 60 GLU HBx 1.0 . 4.42 87 83 A 59 GLU H A 58 SER H 1.0 . 3.40 88 84 A 59 GLU H A 58 SER HB2 1.0 . 2.88 89 84 A 59 GLU H A 58 SER HB3 1.0 . 2.88 90 85 A 59 GLU H A 59 GLU HG2 1.0 . 4.15 91 85 A 59 GLU H A 59 GLU HG3 1.0 . 4.15 92 86 A 59 GLU H A 59 GLU HBy 1.0 . 3.58 93 87 A 59 GLU H A 59 GLU HBx 1.0 . 3.58 94 88 A 42 TRP HE1 A 11 ALA H 1.0 . 4.67 95 89 A 7 ILE HA A 11 ALA H 1.0 . 4.58 96 90 A 62 SER H A 61 GLU HBx 1.0 . 4.50 97 91 A 11 ALA H A 8 VAL HGx% 1.0 . 4.58 98 92 A 61 GLU H A 62 SER H 1.0 . 4.13 99 93 A 25 LEU HA A 25 LEU H 1.0 . 2.87 100 94 A 59 GLU H A 56 LEU HA 1.0 . 4.85 101 95 A 11 ALA H A 9 ASN H 1.0 . 4.26 102 96 A 11 ALA H A 10 GLU HG2 1.0 . 4.43 103 96 A 11 ALA H A 10 GLU HG3 1.0 . 4.43 104 97 A 11 ALA H A 10 GLU HB2 1.0 . 4.17 105 98 A 11 ALA H A 10 GLU HB3 1.0 . 4.17 106 99 A 11 ALA HB% A 11 ALA H 1.0 . 2.83 107 100 A 7 ILE HG2% A 11 ALA H 1.0 . 4.27 108 101 A 11 ALA H A 9 ASN HA 1.0 . 4.56 109 102 A 8 VAL HA A 11 ALA H 1.0 . 3.86 110 103 A 38 LEU HG A 11 ALA H 1.0 . 5.18 111 104 A 11 ALA H A 38 LEU HDx% 1.0 . 5.50 112 105 A 18 LEU HDx% A 11 ALA H 1.0 . 4.32 113 106 A 61 GLU H A 61 GLU HG2 1.0 . 4.42 114 106 A 61 GLU H A 61 GLU HG3 1.0 . 4.42 115 107 A 25 LEU H A 24 LYS HG2 1.0 . 4.34 116 107 A 25 LEU H A 24 LYS HG3 1.0 . 4.34 117 108 A 25 LEU H A 50 ILE HG13 1.0 . 3.75 118 109 A 25 LEU H A 24 LYS HA 1.0 . 2.82 119 110 A 25 LEU H A 25 LEU HBy 1.0 . 3.30 120 111 A 25 LEU H A 50 ILE HD1% 1.0 . 3.39 121 112 A 39 LEU H A 41 GLU H 1.0 . 4.56 122 113 A 41 GLU H A 39 LEU HA 1.0 . 4.97 123 114 A 41 GLU H A 41 GLU HG2 1.0 . 4.22 124 114 A 41 GLU H A 41 GLU HG3 1.0 . 4.22 125 115 A 41 GLU HBx A 41 GLU H 1.0 . 3.20 126 116 A 41 GLU H A 41 GLU HBy 1.0 . 3.07 127 117 A 41 GLU H A 40 GLU HB2 1.0 . 3.07 128 117 A 41 GLU H A 40 GLU HB3 1.0 . 3.07 129 118 A 41 GLU H A 42 TRP HD1 1.0 . 5.50 130 119 A 20 VAL HA A 25 LEU H 1.0 . 4.73 131 120 A 30 ASN H A 31 ARG H 1.0 . 3.70 132 121 A 38 LEU HA A 41 GLU H 1.0 . 3.58 133 122 A 38 LEU HDx% A 41 GLU H 1.0 . 5.12 134 123 A 31 ARG H A 31 ARG HDx 1.0 . 4.13 135 124 A 29 THR HB A 31 ARG H 1.0 . 4.37 136 125 A 25 LEU H A 25 LEU HBx 1.0 . 2.93 137 126 A 46 LYS H A 48 GLU H 1.0 . 4.62 138 127 A 46 LYS H A 46 LYS HE2 1.0 . 5.50 139 128 A 46 LYS H A 46 LYS HE3 1.0 . 5.50 140 129 A 34 ILE HD1% A 36 SER H 1.0 . 4.00 141 130 A 51 ASP H A 53 LEU H 1.0 . 4.23 142 131 A 51 ASP H A 50 ILE H 1.0 . 3.26 143 132 A 48 GLU H A 51 ASP H 1.0 . 5.16 144 133 A 51 ASP H A 47 GLN HE22 1.0 . 5.01 145 134 A 51 ASP H A 48 GLU HA 1.0 . 3.61 146 135 A 51 ASP H A 52 PHE HBx 1.0 . 4.76 147 136 A 51 ASP H A 51 ASP HBx 1.0 . 3.09 148 137 A 51 ASP H A 51 ASP HBy 1.0 . 3.14 149 138 A 51 ASP H A 50 ILE HB 1.0 . 3.09 150 139 A 51 ASP H A 4 ALA HB% 1.0 . 5.18 151 140 A 51 ASP H A 50 ILE HG2% 1.0 . 3.47 152 141 A 31 ARG H A 31 ARG HDy 1.0 . 4.13 153 142 A 25 LEU H A 46 LYS HBy 1.0 . 4.48 154 143 A 29 THR HG2% A 31 ARG H 1.0 . 3.50 155 144 A 16 ILE HG2% A 12 LEU H 1.0 . 5.23 156 145 A 46 LYS H A 44 GLN H 1.0 . 4.08 157 146 A 46 LYS H A 45 HIS HA 1.0 . 3.38 158 147 A 46 LYS H A 43 LYS HA 1.0 . 3.84 159 148 A 46 LYS H A 45 HIS HBx 1.0 . 4.76 160 149 A 46 LYS H A 45 HIS HBy 1.0 . 4.22 161 150 A 46 LYS H A 47 GLN HBx 1.0 . 5.08 162 151 A 46 LYS H A 46 LYS HBx 1.0 . 3.03 163 152 A 46 LYS H A 46 LYS HDx 1.0 . 5.33 164 153 A 46 LYS H A 46 LYS HDy 1.0 . 5.33 165 154 A 46 LYS H A 46 LYS HGx 1.0 . 3.89 166 154 A 46 LYS H A 46 LYS HGy 1.0 . 3.89 167 155 A 36 SER H A 35 PRO HA 1.0 . 2.68 168 156 A 36 SER H A 36 SER HA 1.0 . 2.89 169 157 A 36 SER H A 38 LEU H 1.0 . 4.66 170 158 A 36 SER H A 35 PRO HBy 1.0 . 3.80 171 159 A 36 SER H A 35 PRO HBx 1.0 . 4.10 172 160 A 51 ASP H A 49 LEU HA 1.0 . 4.82 173 161 A 12 LEU H A 14 GLN H 1.0 . 4.31 174 162 A 12 LEU H A 12 LEU HDy% 1.0 . 3.39 175 163 A 12 LEU H A 9 ASN H 1.0 . 5.22 176 164 A 12 LEU H A 11 ALA H 1.0 . 3.21 177 165 A 12 LEU H A 10 GLU HA 1.0 . 4.92 178 166 A 8 VAL HA A 12 LEU H 1.0 . 4.49 179 167 A 12 LEU H A 12 LEU HBx 1.0 . 3.07 180 168 A 12 LEU HG A 12 LEU H 1.0 . 2.87 181 169 A 11 ALA HB% A 12 LEU H 1.0 . 3.14 182 170 A 12 LEU H A 8 VAL HGx% 1.0 . 4.27 183 171 A 42 TRP HA A 46 LYS H 1.0 . 4.88 184 172 A 32 ASP HA A 34 ILE H 1.0 . 3.55 185 173 A 34 ILE H A 34 ILE HG2% 1.0 . 3.58 186 174 A 18 LEU HDx% A 12 LEU H 1.0 . 4.93 187 175 A 34 ILE H A 34 ILE HB 1.0 . 3.71 188 176 A 34 ILE H A 34 ILE HG1y 1.0 . 3.45 189 177 A 34 ILE H A 34 ILE HG1x 1.0 . 3.42 190 178 A 34 ILE H A 35 PRO HDx 1.0 . 5.24 191 179 A 60 GLU H A 60 GLU HBx 1.0 . 4.14 192 180 A 4 ALA H A 5 ALA HB% 1.0 . 4.93 193 181 A 5 ALA HB% A 8 VAL H 1.0 . 5.33 194 182 A 7 ILE HD1% A 4 ALA H 1.0 . 4.41 195 183 A 7 ILE HD1% A 8 VAL H 1.0 . 4.57 196 184 A 34 ILE H A 32 ASP HB2 1.0 . 4.73 197 184 A 34 ILE H A 32 ASP HB3 1.0 . 4.73 198 185 A 60 GLU H A 59 GLU HG2 1.0 . 4.12 199 185 A 60 GLU H A 59 GLU HG3 1.0 . 4.12 200 186 A 60 GLU H A 60 GLU HBy 1.0 . 4.14 201 187 A 4 ALA H A 3 ASN HA 1.0 . 2.92 202 188 A 4 ALA H A 3 ASN HBy 1.0 . 3.85 203 189 A 4 ALA H A 3 ASN HBx 1.0 . 3.85 204 190 A 4 ALA H A 48 GLU HG3 1.0 . 4.63 205 191 A 54 THR H A 55 GLN H 1.0 . 3.06 206 192 A 55 GLN H A 52 PHE HD% 1.0 . 5.50 207 193 A 55 GLN H A 51 ASP HA 1.0 . 4.29 208 194 A 55 GLN H A 52 PHE HA 1.0 . 4.54 209 195 A 55 GLN H A 54 THR HA 1.0 . 3.54 210 196 A 55 GLN H A 53 LEU HA 1.0 . 4.51 211 197 A 55 GLN H A 55 GLN HGx 1.0 . 3.47 212 198 A 55 GLN H A 55 GLN HGy 1.0 . 3.62 213 199 A 55 GLN H A 55 GLN HB2 1.0 . 2.88 214 199 A 55 GLN H A 55 GLN HB3 1.0 . 2.88 215 200 A 55 GLN H A 56 LEU HG 1.0 . 5.50 216 201 A 55 GLN H A 54 THR HG2% 1.0 . 3.46 217 202 A 8 VAL HGx% A 10 GLU H 1.0 . 4.98 218 203 A 8 VAL H A 5 ALA HA 1.0 . 3.69 219 204 A 8 VAL H A 8 VAL HB 1.0 . 3.02 220 205 A 4 ALA HB% A 4 ALA H 1.0 . 2.89 221 206 A 8 VAL H A 8 VAL HGy% 1.0 . 3.10 222 207 A 11 ALA HB% A 8 VAL H 1.0 . 4.79 223 208 A 8 VAL H A 7 ILE HG1x 1.0 . 4.45 224 209 A 55 GLN H A 56 LEU H 1.0 . 3.16 225 210 A 56 LEU H A 55 GLN HA 1.0 . 3.55 226 211 A 53 LEU HA A 56 LEU H 1.0 . 3.81 227 212 A 55 GLN HGy A 56 LEU H 1.0 . 4.18 228 213 A 56 LEU H A 56 LEU HB2 1.0 . 2.65 229 213 A 56 LEU H A 56 LEU HB3 1.0 . 2.65 230 214 A 56 LEU H A 56 LEU HDx% 1.0 . 4.20 231 215 A 56 LEU H A 54 THR HB 1.0 . 5.50 232 216 A 10 GLU H A 13 ASN H 1.0 . 5.09 233 217 A 12 LEU H A 10 GLU H 1.0 . 4.53 234 218 A 11 ALA H A 10 GLU H 1.0 . 3.23 235 219 A 10 GLU H A 9 ASN HD21 1.0 . 4.37 236 220 A 10 GLU H A 9 ASN HBy 1.0 . 3.45 237 221 A 10 GLU H A 10 GLU HG2 1.0 . 3.22 238 221 A 10 GLU HG3 A 10 GLU H 1.0 . 3.22 239 222 A 4 ALA H A 6 LYS H 1.0 . 4.49 240 223 A 8 VAL H A 6 LYS H 1.0 . 4.84 241 224 A 18 LEU HDx% A 8 VAL H 1.0 . 4.21 242 225 A 8 VAL H A 52 PHE HE% 1.0 . 5.32 243 226 A 8 VAL H A 6 LYS HA 1.0 . 4.78 244 227 A 8 VAL H A 7 ILE HB 1.0 . 3.42 245 228 A 55 GLN HGx A 56 LEU H 1.0 . 4.46 246 229 A 56 LEU H A 53 LEU HDy% 1.0 . 5.25 247 230 A 56 LEU H A 56 LEU HDy% 1.0 . 4.20 248 231 A 52 PHE HA A 56 LEU H 1.0 . 5.36 249 232 A 56 LEU H A 57 GLU HA 1.0 . 5.50 250 233 A 11 ALA HA A 10 GLU H 1.0 . 5.30 251 234 A 7 ILE HA A 10 GLU H 1.0 . 3.74 252 235 A 11 ALA HB% A 10 GLU H 1.0 . 4.48 253 236 A 7 ILE HG2% A 10 GLU H 1.0 . 4.71 254 237 A 8 VAL HA A 10 GLU H 1.0 . 4.46 255 238 A 11 ALA H A 8 VAL H 1.0 . 4.82 256 239 A 53 LEU H A 56 LEU H 1.0 . 5.18 257 240 A 8 VAL H A 10 GLU H 1.0 . 4.40 258 241 A 49 LEU H A 46 LYS HGx 1.0 . 5.50 259 241 A 46 LYS HGy A 49 LEU H 1.0 . 5.50 260 242 A 39 LEU H A 38 LEU H 1.0 . 3.09 261 243 A 35 PRO HA A 38 LEU H 1.0 . 4.90 262 244 A 39 LEU HA A 38 LEU H 1.0 . 5.50 263 245 A 38 LEU H A 35 PRO HBy 1.0 . 3.93 264 246 A 38 LEU H A 37 GLU HB2 1.0 . 4.34 265 247 A 38 LEU H A 37 GLU HB3 1.0 . 4.61 266 248 A 38 LEU H A 39 LEU HBy 1.0 . 4.79 267 249 A 38 LEU HDy% A 38 LEU H 1.0 . 3.82 268 250 A 38 LEU H A 38 LEU HBy 1.0 . 3.24 269 251 A 38 LEU HDx% A 38 LEU H 1.0 . 3.33 270 252 A 38 LEU HBx A 38 LEU H 1.0 . 3.57 271 253 A 53 LEU H A 50 ILE H 1.0 . 4.59 272 254 A 53 LEU HDx% A 49 LEU H 1.0 . 5.46 273 255 A 38 LEU H A 40 GLU H 1.0 . 4.28 274 256 A 36 SER HA A 38 LEU H 1.0 . 4.02 275 257 A 38 LEU H A 39 LEU HG 1.0 . 5.12 276 258 A 41 GLU H A 38 LEU H 1.0 . 4.79 277 259 A 48 GLU H A 50 ILE H 1.0 . 4.59 278 260 A 50 ILE H A 46 LYS HA 1.0 . 4.44 279 261 A 50 ILE H A 49 LEU HBx 1.0 . 3.56 280 262 A 50 ILE H A 50 ILE HB 1.0 . 2.85 281 263 A 50 ILE H A 49 LEU HBy 1.0 . 3.70 282 264 A 50 ILE HG12 A 50 ILE H 1.0 . 4.07 283 265 A 50 ILE HG13 A 50 ILE H 1.0 . 3.28 284 266 A 53 LEU HDx% A 50 ILE H 1.0 . 4.67 285 267 A 50 ILE H A 48 GLU HA 1.0 . 4.63 286 268 A 50 ILE H A 49 LEU H 1.0 . 3.12 287 269 A 49 LEU H A 49 LEU HBy 1.0 . 3.38 288 270 A 4 ALA HB% A 49 LEU H 1.0 . 3.76 289 271 A 50 ILE HG13 A 49 LEU H 1.0 . 4.72 290 272 A 51 ASP H A 49 LEU H 1.0 . 4.57 291 273 A 49 LEU H A 46 LYS HA 1.0 . 3.92 292 274 A 49 LEU H A 48 GLU HG2 1.0 . 3.95 293 275 A 49 LEU H A 49 LEU HBx 1.0 . 3.59 294 276 A 49 LEU H A 49 LEU HG 1.0 . 3.19 295 277 A 49 LEU H A 49 LEU HDx% 1.0 . 4.25 296 278 A 49 LEU H A 49 LEU HDy% 1.0 . 4.25 297 279 A 45 HIS HBy A 49 LEU H 1.0 . 4.49 298 280 A 40 GLU H A 37 GLU H 1.0 . 5.37 299 281 A 35 PRO HA A 37 GLU H 1.0 . 3.96 300 282 A 37 GLU HB3 A 37 GLU H 1.0 . 2.96 301 283 A 35 PRO HBx A 37 GLU H 1.0 . 4.30 302 284 A 38 LEU HBy A 37 GLU H 1.0 . 4.72 303 285 A 28 LYS H A 19 PHE H 1.0 . 4.63 304 286 A 27 TYR H A 28 LYS H 1.0 . 4.57 305 287 A 28 LYS H A 27 TYR HE% 1.0 . 5.50 306 288 A 28 LYS H A 27 TYR HA 1.0 . 2.95 307 289 A 28 LYS H A 17 THR HB 1.0 . 3.85 308 290 A 28 LYS H A 27 TYR HBx 1.0 . 4.21 309 291 A 28 LYS H A 27 TYR HBy 1.0 . 3.40 310 292 A 28 LYS H A 28 LYS HB2 1.0 . 3.46 311 292 A 28 LYS H A 28 LYS HB3 1.0 . 3.46 312 293 A 28 LYS H A 28 LYS HG2 1.0 . 4.12 313 293 A 28 LYS H A 28 LYS HG3 1.0 . 4.12 314 294 A 28 LYS H A 17 THR HG2% 1.0 . 4.02 315 295 A 28 LYS H A 18 LEU HG 1.0 . 5.16 316 296 A 16 ILE HG2% A 28 LYS H 1.0 . 3.64 317 297 A 28 LYS H A 18 LEU HDy% 1.0 . 4.48 318 298 A 8 VAL H A 7 ILE H 1.0 . 3.39 319 299 A 7 ILE H A 3 ASN H 1.0 . 5.16 320 300 A 9 ASN H A 7 ILE H 1.0 . 5.42 321 301 A 3 ASN HA A 7 ILE H 1.0 . 5.50 322 302 A 7 ILE H A 2 LYS HBx 1.0 . 4.08 323 302 A 7 ILE H A 2 LYS HBy 1.0 . 4.08 324 303 A 5 ALA HB% A 7 ILE H 1.0 . 4.78 325 304 A 36 SER H A 37 GLU H 1.0 . 3.48 326 305 A 38 LEU H A 37 GLU H 1.0 . 3.28 327 306 A 39 LEU H A 37 GLU H 1.0 . 4.71 328 307 A 37 GLU H A 36 SER HB2 1.0 . 3.47 329 307 A 37 GLU H A 36 SER HB3 1.0 . 3.47 330 308 A 36 SER HA A 37 GLU H 1.0 . 3.50 331 309 A 38 LEU HA A 37 GLU H 1.0 . 5.50 332 310 A 35 PRO HBy A 37 GLU H 1.0 . 3.99 333 311 A 37 GLU H A 35 PRO HGy 1.0 . 4.57 334 312 A 38 LEU HDy% A 37 GLU H 1.0 . 5.50 335 313 A 38 LEU HDx% A 37 GLU H 1.0 . 4.54 336 314 A 28 LYS H A 19 PHE HE% 1.0 . 4.38 337 315 A 28 LYS H A 27 TYR HD% 1.0 . 3.77 338 316 A 42 TRP H A 40 GLU H 1.0 . 4.17 339 317 A 42 TRP H A 41 GLU HG2 1.0 . 4.54 340 317 A 42 TRP H A 41 GLU HG3 1.0 . 4.54 341 318 A 42 TRP H A 43 LYS H 1.0 . 3.27 342 319 A 42 TRP H A 41 GLU H 1.0 . 3.03 343 320 A 42 TRP H A 40 GLU HA 1.0 . 4.58 344 321 A 42 TRP H A 42 TRP HBy 1.0 . 3.31 345 322 A 42 TRP H A 42 TRP HBx 1.0 . 3.80 346 323 A 42 TRP H A 41 GLU HBx 1.0 . 3.26 347 324 A 42 TRP H A 41 GLU HBy 1.0 . 3.81 348 325 A 42 TRP H A 40 GLU HB2 1.0 . 4.95 349 325 A 42 TRP H A 40 GLU HB3 1.0 . 4.95 350 326 A 7 ILE H A 4 ALA HA 1.0 . 3.88 351 327 A 5 ALA HA A 7 ILE H 1.0 . 4.66 352 328 A 8 VAL HB A 7 ILE H 1.0 . 4.87 353 329 A 7 ILE H A 6 LYS HBy 1.0 . 3.53 354 330 A 7 ILE HB A 7 ILE H 1.0 . 3.11 355 331 A 7 ILE HG1x A 7 ILE H 1.0 . 3.16 356 332 A 7 ILE HG2% A 7 ILE H 1.0 . 3.83 357 333 A 7 ILE H A 49 LEU HDx% 1.0 . 5.02 358 334 A 7 ILE H A 7 ILE HG1y 1.0 . 3.74 359 335 A 7 ILE HD1% A 7 ILE H 1.0 . 3.33 360 336 A 42 TRP H A 38 LEU HA 1.0 . 4.12 361 337 A 42 TRP H A 7 ILE HG2% 1.0 . 4.19 362 338 A 50 ILE HA A 52 PHE H 1.0 . 4.71 363 339 A 3 ASN H A 2 LYS HBx 1.0 . 4.09 364 339 A 3 ASN H A 2 LYS HBy 1.0 . 4.09 365 340 A 9 ASN H A 9 ASN HD21 1.0 . 4.03 366 341 A 9 ASN H A 52 PHE HE% 1.0 . 5.42 367 342 A 9 ASN H A 6 LYS HA 1.0 . 4.29 368 343 A 3 ASN H A 6 LYS HBy 1.0 . 4.01 369 344 A 9 ASN H A 10 GLU H 1.0 . 3.19 370 345 A 9 ASN H A 8 VAL H 1.0 . 3.31 371 346 A 7 ILE HA A 9 ASN H 1.0 . 4.77 372 347 A 9 ASN H A 9 ASN HBy 1.0 . 2.95 373 348 A 9 ASN H A 8 VAL HB 1.0 . 3.23 374 349 A 9 ASN H A 9 ASN HD22 1.0 . 4.88 375 350 A 53 LEU HDx% A 52 PHE H 1.0 . 5.35 376 351 A 51 ASP H A 52 PHE H 1.0 . 3.39 377 352 A 53 LEU H A 52 PHE H 1.0 . 3.35 378 353 A 49 LEU H A 52 PHE H 1.0 . 4.86 379 354 A 52 PHE HD% A 52 PHE H 1.0 . 4.22 380 355 A 49 LEU HA A 52 PHE H 1.0 . 3.64 381 356 A 53 LEU HA A 52 PHE H 1.0 . 5.15 382 357 A 52 PHE HBx A 52 PHE H 1.0 . 3.10 383 358 A 52 PHE H A 52 PHE HBy 1.0 . 3.14 384 359 A 51 ASP HBx A 52 PHE H 1.0 . 3.67 385 360 A 51 ASP HBy A 52 PHE H 1.0 . 3.49 386 361 A 55 GLN HGx A 52 PHE H 1.0 . 4.85 387 362 A 52 PHE H A 53 LEU HBy 1.0 . 4.57 388 363 A 4 ALA HB% A 52 PHE H 1.0 . 3.82 389 364 A 50 ILE H A 52 PHE H 1.0 . 4.45 390 365 A 21 SER H A 20 VAL HGx% 1.0 . 4.44 391 366 A 22 ASP H A 21 SER H 1.0 . 4.57 392 367 A 26 LYS H A 21 SER H 1.0 . 4.01 393 368 A 20 VAL H A 21 SER H 1.0 . 4.55 394 369 A 20 VAL HA A 21 SER H 1.0 . 2.71 395 370 A 24 LYS HA A 21 SER H 1.0 . 4.93 396 371 A 25 LEU HA A 21 SER H 1.0 . 4.10 397 372 A 21 SER HBy A 21 SER H 1.0 . 3.60 398 373 A 21 SER HBx A 21 SER H 1.0 . 3.42 399 374 A 24 LYS HB3 A 21 SER H 1.0 . 3.70 400 375 A 26 LYS HDy A 21 SER H 1.0 . 4.26 401 376 A 3 ASN H A 6 LYS HBx 1.0 . 4.11 402 377 A 9 ASN H A 5 ALA HA 1.0 . 4.06 403 378 A 9 ASN H A 10 GLU HG2 1.0 . 5.20 404 378 A 9 ASN H A 10 GLU HG3 1.0 . 5.20 405 379 A 8 VAL HGx% A 9 ASN H 1.0 . 3.47 406 380 A 57 GLU H A 56 LEU H 1.0 . 3.25 407 381 A 57 GLU H A 54 THR HB 1.0 . 5.50 408 382 A 57 GLU H A 54 THR HA 1.0 . 3.58 409 383 A 57 GLU H A 53 LEU HA 1.0 . 4.57 410 384 A 57 GLU H A 55 GLN HGy 1.0 . 4.63 411 385 A 57 GLU H A 57 GLU HBy 1.0 . 3.19 412 386 A 57 GLU H A 57 GLU HBx 1.0 . 3.19 413 387 A 57 GLU H A 56 LEU HB2 1.0 . 3.50 414 387 A 57 GLU H A 56 LEU HB3 1.0 . 3.50 415 388 A 26 LYS HDx A 21 SER H 1.0 . 4.69 416 389 A 26 LYS HBy A 21 SER H 1.0 . 4.77 417 390 A 19 PHE HD% A 21 SER H 1.0 . 4.51 418 391 A 57 GLU H A 55 GLN H 1.0 . 4.56 419 392 A 32 ASP H A 31 ARG HBx 1.0 . 4.26 420 393 A 31 ARG H A 32 ASP H 1.0 . 4.57 421 394 A 32 ASP H A 32 ASP HB2 1.0 . 3.26 422 394 A 32 ASP HB3 A 32 ASP H 1.0 . 3.26 423 395 A 32 ASP H A 31 ARG HBy 1.0 . 4.26 424 396 A 32 ASP H A 31 ARG HG2 1.0 . 4.03 425 396 A 32 ASP H A 31 ARG HG3 1.0 . 4.03 426 397 A 29 THR HG2% A 32 ASP H 1.0 . 5.26 427 398 A 13 ASN H A 13 ASN HD22 1.0 . 4.71 428 399 A 14 GLN H A 13 ASN H 1.0 . 3.20 429 400 A 12 LEU HBx A 13 ASN H 1.0 . 3.31 430 401 A 12 LEU HDy% A 13 ASN H 1.0 . 4.80 431 402 A 13 ASN H A 12 LEU HDx% 1.0 . 5.19 432 403 A 11 ALA H A 13 ASN H 1.0 . 4.46 433 404 A 48 GLU H A 45 HIS HA 1.0 . 4.10 434 405 A 10 GLU HA A 13 ASN H 1.0 . 3.68 435 406 A 48 GLU H A 49 LEU H 1.0 . 3.22 436 407 A 48 GLU H A 49 LEU HA 1.0 . 5.37 437 408 A 48 GLU H A 45 HIS HBy 1.0 . 5.40 438 409 A 48 GLU H A 48 GLU HG2 1.0 . 3.02 439 410 A 48 GLU H A 47 GLN HBx 1.0 . 3.06 440 411 A 48 GLU H A 45 HIS HBx 1.0 . 4.28 441 412 A 16 ILE HG2% A 29 THR H 1.0 . 4.84 442 413 A 27 TYR HD% A 29 THR H 1.0 . 4.87 443 414 A 17 THR HB A 29 THR H 1.0 . 5.50 444 415 A 29 THR H A 28 LYS HA 1.0 . 2.85 445 416 A 29 THR HB A 29 THR H 1.0 . 4.16 446 417 A 29 THR H A 28 LYS HB2 1.0 . 3.88 447 417 A 28 LYS HB3 A 29 THR H 1.0 . 3.88 448 418 A 29 THR H A 28 LYS HG2 1.0 . 4.29 449 418 A 28 LYS HG3 A 29 THR H 1.0 . 4.29 450 419 A 29 THR HG2% A 29 THR H 1.0 . 3.24 451 420 A 53 LEU H A 50 ILE HA 1.0 . 4.10 452 421 A 53 LEU H A 52 PHE HBx 1.0 . 3.74 453 422 A 53 LEU H A 55 GLN H 1.0 . 4.24 454 423 A 6 LYS H A 3 ASN HBy 1.0 . 4.70 455 424 A 6 LYS H A 6 LYS HE2 1.0 . 5.10 456 424 A 6 LYS H A 6 LYS HE3 1.0 . 5.10 457 425 A 6 LYS H A 3 ASN H 1.0 . 4.53 458 426 A 6 LYS H A 5 ALA H 1.0 . 2.90 459 427 A 6 LYS H A 7 ILE H 1.0 . 3.20 460 428 A 6 LYS H A 3 ASN HD22 1.0 . 4.79 461 429 A 3 ASN HA A 6 LYS H 1.0 . 4.68 462 430 A 7 ILE HA A 6 LYS H 1.0 . 5.43 463 431 A 6 LYS H A 4 ALA HA 1.0 . 4.40 464 432 A 6 LYS H A 3 ASN HBx 1.0 . 4.70 465 433 A 6 LYS H A 6 LYS HBy 1.0 . 3.39 466 434 A 6 LYS H A 6 LYS HBx 1.0 . 2.97 467 435 A 6 LYS H A 6 LYS HGy 1.0 . 4.37 468 436 A 6 LYS H A 6 LYS HGx 1.0 . 4.37 469 437 A 5 ALA HB% A 6 LYS H 1.0 . 2.99 470 438 A 4 ALA HB% A 6 LYS H 1.0 . 4.50 471 439 A 53 LEU H A 52 PHE HD% 1.0 . 3.47 472 440 A 53 LEU H A 49 LEU HA 1.0 . 4.11 473 441 A 53 LEU H A 53 LEU HBy 1.0 . 3.06 474 442 A 53 LEU H A 53 LEU HBx 1.0 . 3.64 475 443 A 53 LEU H A 53 LEU HDy% 1.0 . 4.66 476 444 A 53 LEU HDx% A 19 PHE H 1.0 . 3.84 477 445 A 53 LEU HDx% A 53 LEU H 1.0 . 4.18 478 446 A 20 VAL H A 25 LEU HA 1.0 . 5.29 479 447 A 18 LEU HDx% A 19 PHE H 1.0 . 5.26 480 448 A 20 VAL H A 19 PHE HD% 1.0 . 3.50 481 449 A 20 VAL H A 19 PHE HA 1.0 . 3.03 482 450 A 20 VAL H A 19 PHE HB2 1.0 . 3.00 483 451 A 20 VAL H A 20 VAL HB 1.0 . 3.47 484 452 A 20 VAL H A 53 LEU HBx 1.0 . 4.21 485 453 A 20 VAL H A 53 LEU HDy% 1.0 . 4.20 486 454 A 20 VAL H A 20 VAL HGy% 1.0 . 4.01 487 455 A 19 PHE HD% A 19 PHE H 1.0 . 3.29 488 456 A 27 TYR HA A 19 PHE H 1.0 . 3.62 489 457 A 19 PHE H A 18 LEU HA 1.0 . 2.90 490 458 A 19 PHE H A 18 LEU HBy 1.0 . 3.67 491 459 A 26 LYS HBy A 19 PHE H 1.0 . 4.64 492 460 A 18 LEU HDy% A 19 PHE H 1.0 . 3.38 493 461 A 20 VAL H A 19 PHE H 1.0 . 4.45 494 462 A 18 LEU H A 19 PHE H 1.0 . 4.62 495 463 A 19 PHE H A 19 PHE HB3 1.0 . 3.49 496 464 A 42 TRP H A 44 GLN H 1.0 . 4.36 497 465 A 44 GLN H A 43 LYS H 1.0 . 3.21 498 466 A 44 GLN H A 45 HIS H 1.0 . 3.13 499 467 A 44 GLN H A 45 HIS HA 1.0 . 5.24 500 468 A 42 TRP HA A 44 GLN H 1.0 . 4.67 501 469 A 44 GLN H A 41 GLU HA 1.0 . 3.73 502 470 A 44 GLN H A 42 TRP HBy 1.0 . 4.86 503 471 A 44 GLN H A 45 HIS HBy 1.0 . 5.43 504 472 A 44 GLN H A 44 GLN HGx 1.0 . 3.42 505 473 A 44 GLN H A 44 GLN HBy 1.0 . 3.03 506 474 A 44 GLN H A 43 LYS HB3 1.0 . 3.10 507 475 A 44 GLN H A 46 LYS HGx 1.0 . 4.81 508 475 A 44 GLN H A 46 LYS HGy 1.0 . 4.81 509 476 A 41 GLU H A 44 GLN H 1.0 . 4.77 510 477 A 46 LYS H A 47 GLN H 1.0 . 3.40 511 478 A 47 GLN H A 47 GLN HBy 1.0 . 3.11 512 479 A 47 GLN H A 46 LYS HDx 1.0 . 4.32 513 480 A 47 GLN H A 46 LYS HDy 1.0 . 4.32 514 481 A 48 GLU H A 47 GLN H 1.0 . 3.11 515 482 A 44 GLN H A 42 TRP HBx 1.0 . 5.50 516 483 A 6 LYS HA A 5 ALA H 1.0 . 5.50 517 484 A 49 LEU HA A 5 ALA H 1.0 . 5.50 518 485 A 6 LYS HBx A 5 ALA H 1.0 . 4.45 519 486 A 8 VAL HB A 5 ALA H 1.0 . 5.10 520 487 A 46 LYS HBy A 47 GLN H 1.0 . 3.88 521 488 A 19 PHE H A 26 LYS HA 1.0 . 5.05 522 489 A 47 GLN HBx A 47 GLN H 1.0 . 3.03 523 490 A 5 ALA H A 3 ASN HD22 1.0 . 4.80 524 491 A 5 ALA HB% A 5 ALA H 1.0 . 2.69 525 492 A 4 ALA HB% A 5 ALA H 1.0 . 3.07 526 493 A 4 ALA H A 5 ALA H 1.0 . 3.35 527 494 A 52 PHE HD% A 5 ALA H 1.0 . 4.38 528 495 A 3 ASN HA A 5 ALA H 1.0 . 4.80 529 496 A 52 PHE HBy A 5 ALA H 1.0 . 5.42 530 497 A 21 SER HBx A 24 LYS H 1.0 . 5.00 531 498 A 22 ASP H A 24 LYS H 1.0 . 4.76 532 499 A 24 LYS H A 23 ASN H 1.0 . 3.11 533 500 A 25 LEU H A 24 LYS H 1.0 . 4.30 534 501 A 21 SER H A 24 LYS H 1.0 . 3.28 535 502 A 20 VAL HA A 24 LYS H 1.0 . 4.00 536 503 A 23 ASN HA A 24 LYS H 1.0 . 3.18 537 504 A 24 LYS H A 24 LYS HB2 1.0 . 3.46 538 505 A 24 LYS HB3 A 24 LYS H 1.0 . 3.61 539 506 A 24 LYS H A 24 LYS HG2 1.0 . 4.38 540 506 A 24 LYS HG3 A 24 LYS H 1.0 . 4.38 541 507 A 50 ILE HG2% A 24 LYS H 1.0 . 4.04 542 508 A 43 LYS H A 45 HIS H 1.0 . 4.39 543 509 A 43 LYS H A 44 GLN HGx 1.0 . 4.88 544 510 A 43 LYS H A 40 GLU HB2 1.0 . 5.50 545 510 A 40 GLU HB3 A 43 LYS H 1.0 . 5.50 546 511 A 46 LYS HBx A 43 LYS H 1.0 . 5.50 547 512 A 43 LYS H A 41 GLU HA 1.0 . 4.97 548 513 A 14 GLN H A 14 GLN HE22 1.0 . 4.73 549 514 A 41 GLU H A 43 LYS H 1.0 . 4.56 550 515 A 46 LYS H A 43 LYS H 1.0 . 5.20 551 516 A 43 LYS H A 42 TRP HBy 1.0 . 3.53 552 517 A 43 LYS H A 42 TRP HBx 1.0 . 3.52 553 518 A 43 LYS H A 44 GLN HBy 1.0 . 4.73 554 519 A 43 LYS H A 43 LYS HB3 1.0 . 2.94 555 520 A 43 LYS H A 43 LYS HB2 1.0 . 3.18 556 521 A 43 LYS H A 43 LYS HGy 1.0 . 5.13 557 522 A 43 LYS H A 43 LYS HGx 1.0 . 5.13 558 523 A 42 TRP HD1 A 43 LYS H 1.0 . 5.42 559 524 A 14 GLN H A 14 GLN HE21 1.0 . 4.09 560 525 A 14 GLN H A 12 LEU HA 1.0 . 4.35 561 526 A 14 GLN H A 14 GLN HBx 1.0 . 3.53 562 527 A 14 GLN H A 16 ILE HD1% 1.0 . 4.19 563 528 A 14 GLN H A 14 GLN HBy 1.0 . 3.24 564 529 A 47 GLN HBy A 47 GLN HE21 1.0 . 4.30 565 530 A 47 GLN HE21 A 47 GLN HA 1.0 . 4.00 566 531 A 47 GLN HBx A 47 GLN HE21 1.0 . 4.31 567 532 A 50 ILE HB A 47 GLN HE21 1.0 . 4.01 568 533 A 47 GLN HE22 A 47 GLN HBx 1.0 . 5.09 569 534 A 47 GLN HE22 A 47 GLN HA 1.0 . 4.12 570 535 A 47 GLN HE22 A 47 GLN HG2 1.0 . 3.34 571 535 A 47 GLN HE22 A 47 GLN HG3 1.0 . 3.34 572 536 A 47 GLN HE22 A 47 GLN HBy 1.0 . 4.64 573 537 A 47 GLN HE22 A 50 ILE HB 1.0 . 4.07 574 538 A 47 GLN HE22 A 50 ILE HG2% 1.0 . 4.14 575 539 A 47 GLN HE21 A 47 GLN HG2 1.0 . 2.93 576 539 A 47 GLN HE21 A 47 GLN HG3 1.0 . 2.93 577 540 A 47 GLN H A 47 GLN HE21 1.0 . 5.05 578 541 A 41 GLU HBy A 40 GLU H 1.0 . 4.83 579 542 A 41 GLU H A 40 GLU H 1.0 . 3.20 580 543 A 39 LEU H A 40 GLU H 1.0 . 3.29 581 544 A 36 SER HA A 40 GLU H 1.0 . 4.67 582 545 A 38 LEU HA A 40 GLU H 1.0 . 4.80 583 546 A 40 GLU H A 40 GLU HB2 1.0 . 2.76 584 546 A 40 GLU HB3 A 40 GLU H 1.0 . 2.76 585 547 A 39 LEU HBy A 40 GLU H 1.0 . 3.42 586 548 A 40 GLU H A 39 LEU HBx 1.0 . 3.78 587 549 A 40 GLU H A 39 LEU HDx% 1.0 . 4.49 588 550 A 40 GLU H A 39 LEU HG 1.0 . 4.63 589 551 A 57 GLU H A 58 SER H 1.0 . 3.01 590 552 A 58 SER H A 56 LEU H 1.0 . 4.55 591 553 A 58 SER H A 58 SER HB2 1.0 . 3.18 592 553 A 58 SER H A 58 SER HB3 1.0 . 3.18 593 554 A 58 SER H A 56 LEU HG 1.0 . 5.50 594 555 A 42 TRP H A 39 LEU H 1.0 . 5.23 595 556 A 39 LEU H A 42 TRP HE3 1.0 . 5.23 596 557 A 58 SER H A 54 THR HA 1.0 . 4.71 597 558 A 58 SER H A 56 LEU HA 1.0 . 4.97 598 559 A 39 LEU H A 38 LEU HBy 1.0 . 3.79 599 560 A 39 LEU H A 36 SER HA 1.0 . 3.71 600 561 A 39 LEU H A 40 GLU HG2 1.0 . 5.50 601 562 A 39 LEU H A 40 GLU HG3 1.0 . 5.50 602 563 A 39 LEU H A 40 GLU HB2 1.0 . 5.31 603 563 A 39 LEU H A 40 GLU HB3 1.0 . 5.31 604 564 A 39 LEU H A 39 LEU HBy 1.0 . 3.55 605 565 A 39 LEU H A 39 LEU HBx 1.0 . 3.59 606 566 A 39 LEU H A 39 LEU HG 1.0 . 3.43 607 567 A 39 LEU H A 34 ILE HD1% 1.0 . 4.07 608 568 A 45 HIS H A 44 GLN HGy 1.0 . 5.17 609 569 A 45 HIS H A 47 GLN H 1.0 . 5.26 610 570 A 7 ILE HG2% A 45 HIS H 1.0 . 5.36 611 571 A 45 HIS H A 41 GLU HA 1.0 . 4.36 612 572 A 46 LYS H A 45 HIS H 1.0 . 3.02 613 573 A 46 LYS HA A 45 HIS H 1.0 . 4.66 614 574 A 45 HIS HBx A 45 HIS H 1.0 . 3.80 615 575 A 45 HIS HBy A 45 HIS H 1.0 . 3.27 616 576 A 45 HIS H A 44 GLN HGx 1.0 . 4.58 617 577 A 45 HIS H A 44 GLN HBy 1.0 . 3.49 618 578 A 45 HIS H A 44 GLN HBx 1.0 . 3.76 619 579 A 7 ILE HD1% A 45 HIS H 1.0 . 4.46 620 580 A 42 TRP H A 45 HIS H 1.0 . 4.90 621 581 A 42 TRP HA A 45 HIS H 1.0 . 3.98 622 582 A 53 LEU H A 54 THR H 1.0 . 3.37 623 583 A 54 THR H A 54 THR HB 1.0 . 3.09 624 584 A 54 THR H A 53 LEU HBx 1.0 . 3.89 625 585 A 54 THR H A 53 LEU HDy% 1.0 . 5.05 626 586 A 54 THR H A 20 VAL HGx% 1.0 . 5.04 627 587 A 53 LEU HDx% A 54 THR H 1.0 . 4.72 628 588 A 54 THR H A 55 GLN HA 1.0 . 5.50 629 589 A 54 THR H A 50 ILE HA 1.0 . 4.35 630 590 A 54 THR H A 55 GLN HB2 1.0 . 4.79 631 590 A 54 THR H A 55 GLN HB3 1.0 . 4.79 632 591 A 54 THR H A 53 LEU HBy 1.0 . 3.63 633 592 A 54 THR H A 54 THR HG2% 1.0 . 3.20 634 593 A 54 THR H A 56 LEU H 1.0 . 4.36 635 594 A 54 THR H A 52 PHE HD% 1.0 . 5.50 636 595 A 23 ASN HA A 23 ASN HD21 1.0 . 4.29 637 596 A 8 VAL HB A 9 ASN HD21 1.0 . 5.50 638 597 A 5 ALA HB% A 9 ASN HD21 1.0 . 5.27 639 598 A 23 ASN HD21 A 22 ASP HA 1.0 . 5.17 640 599 A 50 ILE HG2% A 23 ASN HD21 1.0 . 5.45 641 600 A 23 ASN HBy A 23 ASN HD22 1.0 . 3.79 642 601 A 9 ASN HD21 A 6 LYS HA 1.0 . 4.36 643 602 A 23 ASN HD21 A 23 ASN HBy 1.0 . 3.38 644 603 A 55 GLN HE21 A 56 LEU HB2 1.0 . 4.79 645 603 A 56 LEU HB3 A 55 GLN HE21 1.0 . 4.79 646 604 A 56 LEU HG A 55 GLN HE21 1.0 . 5.43 647 605 A 23 ASN HA A 23 ASN HD22 1.0 . 4.56 648 606 A 9 ASN HD21 A 6 LYS HE2 1.0 . 3.57 649 606 A 9 ASN HD21 A 6 LYS HE3 1.0 . 3.57 650 607 A 52 PHE HD% A 55 GLN HE21 1.0 . 5.44 651 608 A 55 GLN HE21 A 56 LEU HDx% 1.0 . 5.50 652 609 A 55 GLN HE21 A 56 LEU HDy% 1.0 . 5.50 653 610 A 10 GLU H A 9 ASN HD22 1.0 . 5.16 654 611 A 9 ASN HA A 9 ASN HD22 1.0 . 5.21 655 612 A 6 LYS HA A 9 ASN HD22 1.0 . 4.54 656 613 A 9 ASN HD22 A 6 LYS HE2 1.0 . 4.18 657 613 A 9 ASN HD22 A 6 LYS HE3 1.0 . 4.18 658 614 A 3 ASN HA A 3 ASN HD22 1.0 . 5.32 659 615 A 5 ALA HB% A 3 ASN HD21 1.0 . 4.46 660 616 A 4 ALA H A 3 ASN HD21 1.0 . 5.13 661 617 A 3 ASN HA A 3 ASN HD21 1.0 . 4.56 662 618 A 55 GLN HA A 55 GLN HE21 1.0 . 4.82 663 619 A 55 GLN HA A 55 GLN HE22 1.0 . 5.50 664 620 A 3 ASN HD22 A 2 LYS HA 1.0 . 5.50 665 621 A 52 PHE HA A 55 GLN HE22 1.0 . 5.50 666 622 A 4 ALA HB% A 3 ASN HD22 1.0 . 5.50 667 623 A 14 GLN HE22 A 14 GLN HA 1.0 . 5.17 668 624 A 56 LEU HA A 55 GLN HE22 1.0 . 4.90 669 625 A 3 ASN HD22 A 2 LYS HBx 1.0 . 5.50 670 625 A 2 LYS HBy A 3 ASN HD22 1.0 . 5.50 671 626 A 55 GLN HE22 A 56 LEU HDx% 1.0 . 5.50 672 627 A 55 GLN HE22 A 56 LEU HDy% 1.0 . 5.50 673 628 A 10 GLU HA A 9 ASN HD21 1.0 . 4.59 674 629 A 13 ASN H A 13 ASN HD21 1.0 . 4.71 675 630 A 10 GLU HA A 14 GLN HE22 1.0 . 4.50 676 631 A 55 GLN HE22 A 55 GLN HB2 1.0 . 5.20 677 631 A 55 GLN HB3 A 55 GLN HE22 1.0 . 5.20 678 632 A 6 LYS HBx A 3 ASN HD22 1.0 . 5.41 679 633 A 5 ALA HB% A 3 ASN HD22 1.0 . 4.03 680 634 A 7 ILE HD1% A 3 ASN HD22 1.0 . 5.50 681 635 A 14 GLN HBy A 14 GLN HE22 1.0 . 4.32 682 636 A 11 ALA HA A 14 GLN HE22 1.0 . 5.16 683 637 A 41 GLU HA A 44 GLN HE21 1.0 . 5.50 684 638 A 11 ALA HA A 14 GLN HE21 1.0 . 4.27 685 639 A 11 ALA HB% A 14 GLN HE21 1.0 . 5.23 686 640 A 38 LEU HDx% A 14 GLN HE21 1.0 . 3.60 687 641 A 14 GLN HBy A 14 GLN HE21 1.0 . 4.23 688 642 A 16 ILE HD1% A 14 GLN HE21 1.0 . 4.75 689 643 A 38 LEU HDx% A 14 GLN HE22 1.0 . 4.06 690 644 A 14 GLN HE22 A 14 GLN HG2 1.0 . 3.71 691 645 A 44 GLN HBx A 44 GLN HE21 1.0 . 4.46 692 646 A 14 GLN HE21 A 14 GLN HA 1.0 . 4.63 693 647 A 10 GLU HA A 14 GLN HE21 1.0 . 5.33 694 648 A 38 LEU HDy% A 14 GLN HE22 1.0 . 4.70 695 649 A 27 TYR H A 27 TYR HBx 1.0 . 4.06 696 650 A 27 TYR H A 28 LYS HG2 1.0 . 5.50 697 650 A 27 TYR H A 28 LYS HG3 1.0 . 5.50 698 651 A 27 TYR H A 19 PHE HE% 1.0 . 4.10 699 652 A 27 TYR H A 18 LEU HA 1.0 . 5.31 700 653 A 27 TYR H A 28 LYS HA 1.0 . 5.50 701 654 A 26 LYS HBy A 27 TYR H 1.0 . 3.32 702 655 A 27 TYR H A 27 TYR HD% 1.0 . 3.46 703 656 A 27 TYR H A 27 TYR HBy 1.0 . 4.17 704 657 A 27 TYR H A 18 LEU HDy% 1.0 . 4.39 705 658 A 27 TYR H A 27 TYR HE% 1.0 . 4.60 706 659 A 27 TYR H A 26 LYS HA 1.0 . 2.83 707 660 A 27 TYR H A 26 LYS HG3 1.0 . 3.23 708 661 A 34 ILE H A 33 SER H 1.0 . 4.13 709 662 A 33 SER H A 33 SER HBy 1.0 . 3.68 710 663 A 32 ASP H A 33 SER H 1.0 . 3.31 711 664 A 32 ASP HA A 33 SER H 1.0 . 3.43 712 665 A 33 SER H A 33 SER HBx 1.0 . 3.53 713 666 A 33 SER H A 31 ARG HG2 1.0 . 3.64 714 666 A 31 ARG HG3 A 33 SER H 1.0 . 3.64 715 667 A 29 THR HG2% A 33 SER H 1.0 . 5.33 716 668 A 23 ASN H A 23 ASN HD22 1.0 . 5.08 717 669 A 21 SER H A 23 ASN H 1.0 . 4.77 718 670 A 23 ASN H A 23 ASN HD21 1.0 . 4.93 719 671 A 20 VAL HB A 23 ASN H 1.0 . 5.50 720 672 A 23 ASN H A 24 LYS HB2 1.0 . 5.50 721 673 A 24 LYS HB3 A 23 ASN H 1.0 . 5.50 722 674 A 22 ASP H A 23 ASN H 1.0 . 3.76 723 675 A 20 VAL HA A 23 ASN H 1.0 . 5.50 724 676 A 21 SER HA A 23 ASN H 1.0 . 4.22 725 677 A 23 ASN H A 22 ASP HA 1.0 . 2.98 726 678 A 23 ASN HA A 23 ASN H 1.0 . 2.60 727 679 A 23 ASN H A 23 ASN HBx 1.0 . 4.21 728 680 A 23 ASN H A 22 ASP HBy 1.0 . 4.56 729 681 A 23 ASN H A 23 ASN HBy 1.0 . 3.49 730 682 A 23 ASN H A 22 ASP HBx 1.0 . 4.56 731 683 A 16 ILE H A 15 GLY H 1.0 . 3.11 732 684 A 14 GLN H A 15 GLY H 1.0 . 3.09 733 685 A 14 GLN HA A 15 GLY H 1.0 . 3.25 734 686 A 15 GLY H A 15 GLY HAx 1.0 . 2.93 735 687 A 15 GLY H A 15 GLY HAy 1.0 . 2.93 736 688 A 14 GLN HBx A 15 GLY H 1.0 . 4.45 737 689 A 15 GLY H A 16 ILE HG12 1.0 . 4.97 738 689 A 16 ILE HG13 A 15 GLY H 1.0 . 4.97 739 690 A 13 ASN H A 15 GLY H 1.0 . 4.20 740 691 A 15 GLY H A 13 ASN HB2 1.0 . 5.50 741 692 A 15 GLY H A 13 ASN HB3 1.0 . 5.50 742 693 A 14 GLN HBy A 15 GLY H 1.0 . 4.08 743 694 A 12 LEU HBy A 15 GLY H 1.0 . 5.29 744 695 A 3 ASN H A 2 LYS HA 1.0 . 3.33 745 696 A 3 ASN H A 3 ASN HBy 1.0 . 3.90 746 697 A 3 ASN H A 3 ASN HBx 1.0 . 3.90 747 698 A 7 ILE HG1x A 6 LYS H 1.0 . 4.78 748 699 A 8 VAL HB A 6 LYS H 1.0 . 5.20 749 700 A 6 LYS H A 2 LYS HA 1.0 . 5.50 750 701 A 6 LYS H A 3 ASN HD21 1.0 . 4.95 751 702 A 7 ILE H A 6 LYS HE2 1.0 . 5.18 752 702 A 7 ILE H A 6 LYS HE3 1.0 . 5.18 753 703 A 9 ASN HBy A 7 ILE H 1.0 . 5.46 754 704 A 7 ILE H A 49 LEU HDy% 1.0 . 5.02 755 705 A 38 LEU HDx% A 10 GLU H 1.0 . 5.50 756 706 A 10 GLU H A 8 VAL HB 1.0 . 4.91 757 707 A 12 LEU HG A 10 GLU H 1.0 . 5.30 758 708 A 7 ILE HD1% A 3 ASN HD21 1.0 . 5.50 759 709 A 52 PHE HE% A 5 ALA H 1.0 . 4.47 760 710 A 62 SER H A 61 GLU HBy 1.0 . 4.50 761 711 A 12 LEU HG A 11 ALA H 1.0 . 4.33 762 712 A 16 ILE HB A 11 ALA H 1.0 . 5.20 763 713 A 16 ILE HB A 15 GLY H 1.0 . 5.09 764 714 A 16 ILE H A 13 ASN H 1.0 . 4.65 765 715 A 16 ILE H A 12 LEU HBx 1.0 . 5.24 766 716 A 18 LEU H A 12 LEU HDy% 1.0 . 3.81 767 717 A 53 LEU HDx% A 18 LEU H 1.0 . 5.09 768 718 A 19 PHE HD% A 18 LEU H 1.0 . 5.49 769 719 A 49 LEU H A 47 GLN H 1.0 . 4.27 770 720 A 19 PHE H A 27 TYR HBx 1.0 . 4.86 771 721 A 20 VAL H A 53 LEU HDx% 1.0 . 3.79 772 722 A 20 VAL H A 53 LEU HBy 1.0 . 4.25 773 723 A 20 VAL H A 50 ILE HA 1.0 . 5.31 774 724 A 28 LYS H A 19 PHE HB3 1.0 . 5.50 775 725 A 28 LYS H A 29 THR HG2% 1.0 . 4.50 776 726 A 16 ILE HA A 29 THR H 1.0 . 5.18 777 727 A 29 THR HA A 31 ARG H 1.0 . 4.14 778 728 A 38 LEU H A 35 PRO HGy 1.0 . 4.38 779 729 A 38 LEU H A 34 ILE HB 1.0 . 5.50 780 730 A 42 TRP H A 39 LEU HA 1.0 . 3.90 781 731 A 42 TRP HE1 A 18 LEU HDy% 1.0 . 4.70 782 732 A 42 TRP HE1 A 38 LEU HDy% 1.0 . 4.74 783 733 A 44 GLN H A 43 LYS HD2 1.0 . 5.50 784 734 A 44 GLN H A 43 LYS HDy 1.0 . 5.50 785 735 A 44 GLN H A 40 GLU HA 1.0 . 4.56 786 736 A 46 LYS HBx A 45 HIS H 1.0 . 4.70 787 737 A 49 LEU HG A 45 HIS H 1.0 . 5.50 788 738 A 46 LYS H A 48 GLU HG2 1.0 . 5.23 789 739 A 51 ASP H A 47 GLN HE21 1.0 . 4.12 790 740 A 48 GLU HA A 52 PHE H 1.0 . 4.13 791 741 A 54 THR H A 20 VAL HGy% 1.0 . 5.04 792 742 A 54 THR H A 52 PHE H 1.0 . 4.31 793 743 A 54 THR HG2% A 56 LEU H 1.0 . 4.51 794 744 A 60 GLU H A 59 GLU HA 1.0 . 3.15 795 745 A 34 ILE HD1% A 37 GLU H 1.0 . 4.78 796 746 A 8 VAL HA A 8 VAL HGy% 1.0 . 2.93 797 747 A 50 ILE HA A 53 LEU HBy 1.0 . 3.83 798 748 A 21 SER HBx A 20 VAL HA 1.0 . 5.20 799 749 A 21 SER HBx A 26 LYS HG2 1.0 . 4.21 800 750 A 21 SER HBy A 26 LYS HG2 1.0 . 4.17 801 751 A 46 LYS HA A 25 LEU HDx% 1.0 . 4.36 802 752 A 41 GLU HA A 41 GLU HG2 1.0 . 3.19 803 752 A 41 GLU HG3 A 41 GLU HA 1.0 . 3.19 804 753 A 41 GLU HA A 44 GLN HBy 1.0 . 2.90 805 754 A 53 LEU HA A 53 LEU HG 1.0 . 3.98 806 755 A 58 SER H A 57 GLU HA 1.0 . 3.52 807 756 A 56 LEU HA A 56 LEU HB2 1.0 . 2.87 808 756 A 56 LEU HA A 56 LEU HB3 1.0 . 2.87 809 757 A 32 ASP HA A 32 ASP HB2 1.0 . 2.59 810 757 A 32 ASP HA A 32 ASP HB3 1.0 . 2.59 811 758 A 24 LYS HA A 24 LYS HD2 1.0 . 4.06 812 759 A 49 LEU HBx A 42 TRP HBx 1.0 . 5.50 813 760 A 55 GLN HA A 56 LEU HB2 1.0 . 5.48 814 760 A 55 GLN HA A 56 LEU HB3 1.0 . 5.48 815 761 A 46 LYS HBx A 46 LYS HE2 1.0 . 5.50 816 762 A 46 LYS HBx A 46 LYS HE3 1.0 . 5.50 817 763 A 47 GLN HBx A 48 GLU HG2 1.0 . 5.50 818 764 A 24 LYS HB3 A 26 LYS HDy 1.0 . 3.47 819 765 A 41 GLU HBx A 41 GLU HG2 1.0 . 2.85 820 765 A 41 GLU HBx A 41 GLU HG3 1.0 . 2.85 821 766 A 37 GLU HA A 40 GLU HB2 1.0 . 3.33 822 766 A 40 GLU HB3 A 37 GLU HA 1.0 . 3.33 823 767 A 16 ILE HG2% A 16 ILE HG12 1.0 . 3.28 824 767 A 16 ILE HG2% A 16 ILE HG13 1.0 . 3.28 825 768 A 38 LEU HBx A 34 ILE HG1x 1.0 . 5.50 826 769 A 54 THR HG2% A 20 VAL HGy% 1.0 . 4.32 827 770 A 16 ILE HG2% A 16 ILE HD1% 1.0 . 2.77 828 771 A 50 ILE HD1% A 50 ILE HB 1.0 . 2.84 829 772 A 7 ILE HD1% A 45 HIS HA 1.0 . 4.85 830 773 A 7 ILE HD1% A 18 LEU HDy% 1.0 . 5.50 831 774 A 26 LYS HBy A 18 LEU HDy% 1.0 . 5.37 832 775 A 18 LEU HDy% A 18 LEU HBy 1.0 . 3.22 833 776 A 18 LEU HDy% A 25 LEU HDx% 1.0 . 3.66 834 777 A 18 LEU HDy% A 25 LEU HDy% 1.0 . 3.66 835 778 A 53 LEU HDx% A 18 LEU HDy% 1.0 . 3.99 836 779 A 25 LEU HG A 18 LEU HDy% 1.0 . 4.15 837 780 A 18 LEU HBx A 18 LEU HDy% 1.0 . 3.58 838 781 A 18 LEU HDy% A 7 ILE HB 1.0 . 5.35 839 782 A 25 LEU HBx A 18 LEU HDy% 1.0 . 5.50 840 783 A 18 LEU HDy% A 27 TYR HBx 1.0 . 3.44 841 784 A 27 TYR HBy A 18 LEU HDy% 1.0 . 3.63 842 785 A 25 LEU HA A 18 LEU HDy% 1.0 . 5.50 843 786 A 18 LEU HDy% A 18 LEU HA 1.0 . 3.44 844 787 A 18 LEU HDy% A 19 PHE HA 1.0 . 5.27 845 788 A 18 LEU HDy% A 42 TRP HE3 1.0 . 4.84 846 789 A 18 LEU HDy% A 27 TYR HE% 1.0 . 5.50 847 790 A 18 LEU HDy% A 27 TYR HD% 1.0 . 4.10 848 791 A 18 LEU HDy% A 42 TRP HD1 1.0 . 5.40 849 792 A 26 LYS H A 18 LEU HDy% 1.0 . 4.47 850 793 A 18 LEU H A 18 LEU HDy% 1.0 . 4.04 851 794 A 2 LYS HA A 2 LYS HGy 1.0 . 4.23 852 795 A 2 LYS HA A 2 LYS HGx 1.0 . 4.23 853 796 A 6 LYS HBx A 2 LYS HA 1.0 . 3.70 854 797 A 2 LYS HBy A 2 LYS HD2 1.0 . 3.54 855 797 A 2 LYS HD2 A 2 LYS HBx 1.0 . 3.54 856 798 A 2 LYS HBy A 2 LYS HD3 1.0 . 3.54 857 798 A 2 LYS HBx A 2 LYS HD3 1.0 . 3.54 858 799 A 7 ILE HG1y A 2 LYS HE2 1.0 . 5.50 859 800 A 7 ILE HG1y A 2 LYS HE3 1.0 . 5.50 860 801 A 2 LYS HBy A 2 LYS HE2 1.0 . 4.47 861 801 A 2 LYS HE2 A 2 LYS HBx 1.0 . 4.47 862 802 A 2 LYS HBy A 2 LYS HE3 1.0 . 4.47 863 802 A 2 LYS HBx A 2 LYS HE3 1.0 . 4.47 864 803 A 2 LYS HA A 2 LYS HE2 1.0 . 5.50 865 804 A 2 LYS HA A 2 LYS HE3 1.0 . 5.50 866 805 A 3 ASN HA A 4 ALA HA 1.0 . 4.63 867 806 A 3 ASN HA A 6 LYS HBy 1.0 . 5.50 868 807 A 3 ASN HA A 6 LYS HBx 1.0 . 4.58 869 808 A 7 ILE HD1% A 3 ASN HA 1.0 . 4.70 870 809 A 4 ALA HA A 52 PHE HBy 1.0 . 5.50 871 810 A 7 ILE HG1x A 4 ALA HA 1.0 . 4.67 872 811 A 4 ALA HA A 49 LEU HDx% 1.0 . 4.28 873 812 A 4 ALA HA A 7 ILE HG1y 1.0 . 4.89 874 813 A 4 ALA HA A 49 LEU HDy% 1.0 . 4.28 875 814 A 4 ALA HB% A 3 ASN HA 1.0 . 4.34 876 815 A 4 ALA HB% A 52 PHE HBy 1.0 . 3.47 877 816 A 4 ALA HB% A 48 GLU HG2 1.0 . 4.65 878 817 A 4 ALA HB% A 48 GLU HG3 1.0 . 4.81 879 818 A 5 ALA HA A 8 VAL HGy% 1.0 . 3.45 880 819 A 8 VAL HGx% A 5 ALA HA 1.0 . 3.93 881 820 A 5 ALA HA A 53 LEU HG 1.0 . 5.50 882 821 A 5 ALA HA A 8 VAL HB 1.0 . 3.49 883 822 A 8 VAL HA A 5 ALA HA 1.0 . 5.23 884 823 A 5 ALA HA A 52 PHE HE% 1.0 . 3.46 885 824 A 52 PHE HD% A 5 ALA HA 1.0 . 4.45 886 825 A 4 ALA HB% A 5 ALA HB% 1.0 . 4.10 887 826 A 5 ALA HB% A 8 VAL HGy% 1.0 . 4.47 888 827 A 5 ALA HB% A 6 LYS HBx 1.0 . 4.52 889 828 A 5 ALA HB% A 8 VAL HB 1.0 . 3.96 890 829 A 5 ALA HB% A 6 LYS HE2 1.0 . 5.50 891 829 A 5 ALA HB% A 6 LYS HE3 1.0 . 5.50 892 830 A 5 ALA HB% A 52 PHE HBy 1.0 . 5.50 893 831 A 5 ALA HB% A 6 LYS HA 1.0 . 4.13 894 832 A 5 ALA HB% A 4 ALA HA 1.0 . 5.12 895 833 A 9 ASN H A 5 ALA HB% 1.0 . 4.84 896 834 A 5 ALA HB% A 52 PHE HE% 1.0 . 3.24 897 835 A 49 LEU HA A 49 LEU HDy% 1.0 . 4.06 898 836 A 7 ILE H A 6 LYS HBx 1.0 . 4.04 899 837 A 43 LYS H A 43 LYS HD2 1.0 . 5.50 900 838 A 43 LYS H A 43 LYS HDy 1.0 . 5.50 901 839 A 6 LYS HBy A 6 LYS HD2 1.0 . 4.00 902 839 A 6 LYS HBy A 6 LYS HD3 1.0 . 4.00 903 840 A 43 LYS HB3 A 43 LYS HE2 1.0 . 5.50 904 841 A 43 LYS HB3 A 43 LYS HE3 1.0 . 5.50 905 842 A 7 ILE HA A 7 ILE HG1x 1.0 . 3.62 906 843 A 7 ILE HA A 7 ILE HG2% 1.0 . 3.33 907 844 A 7 ILE HA A 7 ILE HG1y 1.0 . 3.70 908 845 A 7 ILE HA A 6 LYS HBy 1.0 . 4.06 909 846 A 7 ILE HA A 11 ALA HB% 1.0 . 5.21 910 847 A 7 ILE HA A 49 LEU HDx% 1.0 . 5.50 911 848 A 7 ILE HA A 38 LEU HDx% 1.0 . 5.12 912 849 A 7 ILE HA A 49 LEU HDy% 1.0 . 5.50 913 850 A 7 ILE HB A 4 ALA HA 1.0 . 4.28 914 851 A 7 ILE HB A 49 LEU HDx% 1.0 . 4.47 915 852 A 7 ILE HD1% A 53 LEU HDx% 1.0 . 5.50 916 853 A 7 ILE HD1% A 49 LEU HDx% 1.0 . 3.43 917 854 A 7 ILE HD1% A 49 LEU HDy% 1.0 . 3.43 918 855 A 41 GLU HBx A 7 ILE HD1% 1.0 . 4.30 919 856 A 7 ILE HD1% A 41 GLU HBy 1.0 . 5.50 920 857 A 7 ILE HD1% A 6 LYS HBy 1.0 . 4.47 921 858 A 7 ILE HD1% A 7 ILE HB 1.0 . 3.37 922 859 A 7 ILE HD1% A 2 LYS HBx 1.0 . 3.81 923 859 A 7 ILE HD1% A 2 LYS HBy 1.0 . 3.81 924 860 A 7 ILE HD1% A 2 LYS HE2 1.0 . 5.50 925 861 A 7 ILE HD1% A 2 LYS HE3 1.0 . 5.50 926 862 A 7 ILE HD1% A 45 HIS HBy 1.0 . 3.83 927 863 A 7 ILE HD1% A 41 GLU HG2 1.0 . 4.00 928 863 A 7 ILE HD1% A 41 GLU HG3 1.0 . 4.00 929 864 A 7 ILE HD1% A 6 LYS HE2 1.0 . 5.50 930 864 A 7 ILE HD1% A 6 LYS HE3 1.0 . 5.50 931 865 A 7 ILE HA A 7 ILE HD1% 1.0 . 3.98 932 866 A 7 ILE HD1% A 4 ALA HA 1.0 . 3.29 933 867 A 42 TRP HA A 7 ILE HD1% 1.0 . 4.50 934 868 A 7 ILE HD1% A 49 LEU HA 1.0 . 4.74 935 869 A 7 ILE HD1% A 45 HIS HE1 1.0 . 4.88 936 870 A 7 ILE HD1% A 6 LYS H 1.0 . 3.97 937 871 A 7 ILE HD1% A 45 HIS HD2 1.0 . 4.33 938 872 A 7 ILE HG2% A 7 ILE HD1% 1.0 . 3.00 939 873 A 7 ILE HG2% A 18 LEU HDx% 1.0 . 3.58 940 874 A 7 ILE HG2% A 7 ILE HG1y 1.0 . 3.41 941 875 A 7 ILE HG2% A 7 ILE HG1x 1.0 . 3.66 942 876 A 7 ILE HG2% A 11 ALA HB% 1.0 . 4.17 943 877 A 11 ALA HB% A 8 VAL HA 1.0 . 3.53 944 878 A 18 LEU HBx A 8 VAL HA 1.0 . 4.50 945 879 A 8 VAL HA A 8 VAL HGx% 1.0 . 3.23 946 880 A 18 LEU HDx% A 8 VAL HA 1.0 . 3.27 947 881 A 8 VAL HA A 18 LEU HDy% 1.0 . 4.68 948 882 A 8 VAL HB A 7 ILE HB 1.0 . 5.44 949 883 A 12 LEU HG A 8 VAL HB 1.0 . 5.50 950 884 A 9 ASN H A 8 VAL HGy% 1.0 . 3.88 951 885 A 8 VAL HGy% A 5 ALA H 1.0 . 4.47 952 886 A 8 VAL HGy% A 7 ILE H 1.0 . 4.76 953 887 A 8 VAL HGy% A 52 PHE HE% 1.0 . 3.48 954 888 A 52 PHE HD% A 8 VAL HGy% 1.0 . 3.51 955 889 A 18 LEU HBx A 8 VAL HGy% 1.0 . 3.66 956 890 A 53 LEU HDx% A 8 VAL HGy% 1.0 . 3.73 957 891 A 7 ILE HD1% A 8 VAL HGy% 1.0 . 4.62 958 892 A 18 LEU HDy% A 8 VAL HGy% 1.0 . 4.45 959 893 A 18 LEU HDy% A 8 VAL HGx% 1.0 . 5.07 960 894 A 53 LEU HDx% A 8 VAL HGx% 1.0 . 4.31 961 895 A 8 VAL HGx% A 53 LEU HG 1.0 . 4.41 962 896 A 12 LEU HG A 8 VAL HGx% 1.0 . 3.98 963 897 A 8 VAL HGx% A 8 VAL H 1.0 . 3.79 964 898 A 18 LEU H A 8 VAL HGx% 1.0 . 4.55 965 899 A 8 VAL HGx% A 52 PHE HE% 1.0 . 3.87 966 900 A 8 VAL HGx% A 52 PHE HD% 1.0 . 4.54 967 901 A 33 SER H A 31 ARG HA 1.0 . 3.87 968 902 A 9 ASN HA A 12 LEU HBx 1.0 . 3.57 969 903 A 12 LEU HG A 9 ASN HA 1.0 . 3.41 970 904 A 31 ARG HA A 31 ARG HG2 1.0 . 3.92 971 904 A 31 ARG HG3 A 31 ARG HA 1.0 . 3.92 972 905 A 8 VAL HGx% A 9 ASN HA 1.0 . 3.79 973 906 A 9 ASN HA A 12 LEU HDx% 1.0 . 3.43 974 907 A 12 LEU H A 9 ASN HA 1.0 . 3.74 975 908 A 12 LEU HG A 9 ASN HBx 1.0 . 5.29 976 909 A 8 VAL HB A 9 ASN HBx 1.0 . 5.22 977 910 A 10 GLU H A 9 ASN HBx 1.0 . 4.21 978 911 A 25 LEU H A 24 LYS HE2 1.0 . 4.49 979 911 A 25 LEU H A 24 LYS HE3 1.0 . 4.49 980 912 A 9 ASN H A 9 ASN HBx 1.0 . 3.33 981 913 A 9 ASN HBy A 6 LYS HA 1.0 . 3.78 982 914 A 8 VAL HB A 9 ASN HBy 1.0 . 4.45 983 915 A 12 LEU HG A 9 ASN HBy 1.0 . 5.50 984 916 A 10 GLU HA A 10 GLU HG2 1.0 . 3.52 985 916 A 10 GLU HG3 A 10 GLU HA 1.0 . 3.52 986 917 A 10 GLU HA A 9 ASN HBx 1.0 . 5.31 987 918 A 9 ASN HA A 10 GLU HA 1.0 . 4.97 988 919 A 11 ALA HA A 16 ILE HB 1.0 . 4.04 989 920 A 11 ALA HA A 16 ILE HD1% 1.0 . 3.71 990 921 A 16 ILE HG2% A 11 ALA HA 1.0 . 4.11 991 922 A 38 LEU HG A 11 ALA HA 1.0 . 4.03 992 923 A 11 ALA HA A 38 LEU HDx% 1.0 . 4.36 993 924 A 18 LEU HDx% A 11 ALA HA 1.0 . 4.78 994 925 A 11 ALA HA A 14 GLN HBy 1.0 . 3.66 995 926 A 11 ALA HA A 14 GLN HBx 1.0 . 4.71 996 927 A 14 GLN H A 11 ALA HA 1.0 . 3.70 997 928 A 42 TRP HE1 A 11 ALA HA 1.0 . 4.91 998 929 A 11 ALA HB% A 38 LEU HDy% 1.0 . 4.42 999 930 A 11 ALA HB% A 8 VAL HGx% 1.0 . 3.71 1000 931 A 11 ALA HB% A 18 LEU HG 1.0 . 3.02 1001 932 A 11 ALA HB% A 12 LEU HDy% 1.0 . 3.82 1002 933 A 11 ALA HB% A 16 ILE HG2% 1.0 . 3.27 1003 934 A 11 ALA HB% A 38 LEU HG 1.0 . 3.51 1004 935 A 11 ALA HB% A 18 LEU HDx% 1.0 . 3.18 1005 936 A 11 ALA HB% A 18 LEU HDy% 1.0 . 3.78 1006 937 A 18 LEU HBx A 11 ALA HB% 1.0 . 3.92 1007 938 A 11 ALA HB% A 12 LEU HG 1.0 . 3.94 1008 939 A 11 ALA HB% A 12 LEU HBx 1.0 . 4.77 1009 940 A 11 ALA HB% A 27 TYR HBy 1.0 . 4.59 1010 941 A 11 ALA HB% A 10 GLU HA 1.0 . 5.15 1011 942 A 11 ALA HB% A 17 THR HA 1.0 . 4.75 1012 943 A 11 ALA HB% A 16 ILE HA 1.0 . 4.42 1013 944 A 11 ALA HB% A 16 ILE H 1.0 . 4.76 1014 945 A 11 ALA HB% A 13 ASN H 1.0 . 4.50 1015 946 A 11 ALA HB% A 9 ASN H 1.0 . 4.96 1016 947 A 11 ALA HB% A 42 TRP HH2 1.0 . 4.33 1017 948 A 12 LEU HA A 15 GLY H 1.0 . 3.87 1018 949 A 12 LEU HA A 16 ILE HA 1.0 . 4.77 1019 950 A 11 ALA HB% A 12 LEU HA 1.0 . 4.16 1020 951 A 12 LEU HA A 12 LEU HDy% 1.0 . 2.95 1021 952 A 16 ILE HG2% A 12 LEU HA 1.0 . 4.92 1022 953 A 12 LEU HBy A 12 LEU HDy% 1.0 . 3.47 1023 954 A 12 LEU HBy A 12 LEU HDx% 1.0 . 3.68 1024 955 A 12 LEU HBy A 13 ASN H 1.0 . 3.99 1025 956 A 12 LEU H A 12 LEU HBy 1.0 . 3.66 1026 957 A 16 ILE H A 12 LEU HDy% 1.0 . 4.23 1027 958 A 12 LEU HBx A 12 LEU HDx% 1.0 . 3.25 1028 959 A 12 LEU HG A 12 LEU HA 1.0 . 4.04 1029 960 A 12 LEU HG A 13 ASN H 1.0 . 4.32 1030 961 A 12 LEU HA A 13 ASN HA 1.0 . 4.84 1031 962 A 15 GLY H A 13 ASN HA 1.0 . 3.69 1032 963 A 14 GLN HBx A 38 LEU HDx% 1.0 . 4.99 1033 964 A 14 GLN HA A 14 GLN HG3 1.0 . 3.51 1034 965 A 14 GLN H A 14 GLN HG3 1.0 . 4.50 1035 966 A 56 LEU HA A 55 GLN HGx 1.0 . 5.39 1036 967 A 55 GLN HGx A 52 PHE HBy 1.0 . 4.66 1037 968 A 16 ILE HD1% A 14 GLN HG3 1.0 . 4.61 1038 969 A 16 ILE HD1% A 14 GLN HG2 1.0 . 4.78 1039 970 A 38 LEU HDx% A 14 GLN HG2 1.0 . 4.05 1040 971 A 14 GLN HA A 15 GLY HAx 1.0 . 4.44 1041 972 A 14 GLN H A 15 GLY HAx 1.0 . 5.39 1042 973 A 16 ILE HA A 15 GLY HAy 1.0 . 4.42 1043 974 A 14 GLN H A 15 GLY HAy 1.0 . 4.97 1044 975 A 12 LEU HBy A 15 GLY HAy 1.0 . 5.50 1045 976 A 16 ILE HD1% A 15 GLY HAy 1.0 . 5.07 1046 977 A 15 GLY HAx A 31 ARG HG2 1.0 . 5.50 1047 977 A 31 ARG HG3 A 15 GLY HAx 1.0 . 5.50 1048 978 A 16 ILE HA A 28 LYS HB2 1.0 . 5.36 1049 978 A 16 ILE HA A 28 LYS HB3 1.0 . 5.36 1050 979 A 16 ILE HA A 16 ILE HG12 1.0 . 4.08 1051 979 A 16 ILE HG13 A 16 ILE HA 1.0 . 4.08 1052 980 A 16 ILE HD1% A 16 ILE HA 1.0 . 3.91 1053 981 A 16 ILE HG2% A 16 ILE HA 1.0 . 3.28 1054 982 A 16 ILE HA A 15 GLY HAx 1.0 . 5.50 1055 983 A 17 THR HA A 16 ILE HA 1.0 . 5.50 1056 984 A 16 ILE HA A 17 THR HB 1.0 . 4.55 1057 985 A 29 THR HB A 16 ILE HA 1.0 . 3.76 1058 986 A 29 THR HA A 16 ILE HA 1.0 . 4.12 1059 987 A 28 LYS H A 16 ILE HA 1.0 . 4.54 1060 988 A 16 ILE HB A 42 TRP HH2 1.0 . 5.40 1061 989 A 12 LEU HA A 16 ILE HB 1.0 . 4.65 1062 990 A 16 ILE HB A 27 TYR HBy 1.0 . 5.39 1063 991 A 16 ILE HB A 12 LEU HDy% 1.0 . 4.68 1064 992 A 38 LEU HG A 16 ILE HB 1.0 . 5.50 1065 993 A 16 ILE HB A 38 LEU HDx% 1.0 . 5.50 1066 994 A 38 LEU HDy% A 16 ILE HD1% 1.0 . 3.68 1067 995 A 16 ILE HD1% A 34 ILE HG1x 1.0 . 4.37 1068 996 A 16 ILE HB A 16 ILE HD1% 1.0 . 3.19 1069 997 A 16 ILE HD1% A 31 ARG HG2 1.0 . 4.64 1070 997 A 16 ILE HD1% A 31 ARG HG3 1.0 . 4.64 1071 998 A 14 GLN HBy A 16 ILE HD1% 1.0 . 3.86 1072 999 A 14 GLN HBx A 16 ILE HD1% 1.0 . 3.66 1073 1000 A 16 ILE HD1% A 34 ILE HA 1.0 . 4.17 1074 1001 A 16 ILE HD1% A 15 GLY HAx 1.0 . 4.72 1075 1002 A 16 ILE HD1% A 17 THR H 1.0 . 5.33 1076 1003 A 16 ILE HD1% A 15 GLY H 1.0 . 4.74 1077 1004 A 16 ILE HD1% A 42 TRP HZ2 1.0 . 3.62 1078 1005 A 16 ILE HD1% A 14 GLN HE22 1.0 . 5.39 1079 1006 A 16 ILE HD1% A 27 TYR HD% 1.0 . 4.71 1080 1007 A 16 ILE HD1% A 42 TRP HZ3 1.0 . 5.25 1081 1008 A 42 TRP HE1 A 16 ILE HD1% 1.0 . 5.50 1082 1009 A 16 ILE HG2% A 11 ALA H 1.0 . 5.28 1083 1010 A 16 ILE HG2% A 27 TYR H 1.0 . 5.50 1084 1011 A 16 ILE HG2% A 42 TRP HE3 1.0 . 5.50 1085 1012 A 16 ILE HG2% A 27 TYR HD% 1.0 . 3.57 1086 1013 A 16 ILE HG2% A 42 TRP HZ3 1.0 . 4.17 1087 1014 A 16 ILE HG2% A 18 LEU HA 1.0 . 4.76 1088 1015 A 16 ILE HG2% A 28 LYS HA 1.0 . 5.37 1089 1016 A 16 ILE HG2% A 17 THR HA 1.0 . 4.35 1090 1017 A 16 ILE HG2% A 17 THR HB 1.0 . 4.66 1091 1018 A 16 ILE HG2% A 35 PRO HDy 1.0 . 5.50 1092 1019 A 16 ILE HG2% A 27 TYR HBx 1.0 . 3.83 1093 1020 A 16 ILE HG2% A 27 TYR HBy 1.0 . 3.45 1094 1021 A 16 ILE HG2% A 38 LEU HDy% 1.0 . 4.26 1095 1022 A 16 ILE HG2% A 17 THR HG2% 1.0 . 4.71 1096 1023 A 16 ILE HG2% A 18 LEU HDx% 1.0 . 4.11 1097 1024 A 16 ILE HG2% A 18 LEU HDy% 1.0 . 3.31 1098 1025 A 16 ILE HG2% A 38 LEU HG 1.0 . 4.45 1099 1026 A 28 LYS H A 17 THR HA 1.0 . 4.88 1100 1027 A 17 THR HA A 17 THR HG2% 1.0 . 3.19 1101 1028 A 18 LEU HBx A 17 THR HA 1.0 . 4.64 1102 1029 A 17 THR HA A 18 LEU HDy% 1.0 . 5.50 1103 1030 A 17 THR HB A 28 LYS HEy 1.0 . 4.99 1104 1031 A 17 THR HB A 28 LYS HB2 1.0 . 3.82 1105 1031 A 17 THR HB A 28 LYS HB3 1.0 . 3.82 1106 1032 A 17 THR HB A 28 LYS HG2 1.0 . 4.29 1107 1032 A 17 THR HB A 28 LYS HG3 1.0 . 4.29 1108 1033 A 17 THR HB A 12 LEU HDy% 1.0 . 4.83 1109 1034 A 18 LEU H A 17 THR HB 1.0 . 4.60 1110 1035 A 19 PHE HD% A 17 THR HB 1.0 . 5.04 1111 1036 A 17 THR HG2% A 17 THR H 1.0 . 3.85 1112 1037 A 17 THR HG2% A 19 PHE H 1.0 . 4.78 1113 1038 A 19 PHE HD% A 17 THR HG2% 1.0 . 3.66 1114 1039 A 17 THR HG2% A 19 PHE HE% 1.0 . 4.97 1115 1040 A 17 THR HG2% A 18 LEU HA 1.0 . 4.70 1116 1041 A 17 THR HG2% A 19 PHE HA 1.0 . 4.88 1117 1042 A 17 THR HG2% A 16 ILE HA 1.0 . 5.50 1118 1043 A 17 THR HG2% A 19 PHE HB3 1.0 . 3.74 1119 1044 A 17 THR HG2% A 28 LYS HEy 1.0 . 4.63 1120 1045 A 17 THR HG2% A 28 LYS HB2 1.0 . 3.81 1121 1045 A 17 THR HG2% A 28 LYS HB3 1.0 . 3.81 1122 1046 A 11 ALA HB% A 17 THR HG2% 1.0 . 5.24 1123 1047 A 18 LEU HBx A 17 THR HG2% 1.0 . 4.68 1124 1048 A 17 THR HG2% A 28 LYS HG2 1.0 . 4.01 1125 1048 A 17 THR HG2% A 28 LYS HG3 1.0 . 4.01 1126 1049 A 17 THR HG2% A 12 LEU HDy% 1.0 . 3.70 1127 1050 A 17 THR HG2% A 18 LEU HDy% 1.0 . 5.18 1128 1051 A 18 LEU HDx% A 18 LEU HA 1.0 . 4.42 1129 1052 A 53 LEU HDx% A 18 LEU HA 1.0 . 4.80 1130 1053 A 8 VAL HGx% A 18 LEU HA 1.0 . 5.49 1131 1054 A 27 TYR HBx A 18 LEU HA 1.0 . 4.58 1132 1055 A 18 LEU H A 18 LEU HBy 1.0 . 4.09 1133 1056 A 27 TYR HA A 18 LEU HBy 1.0 . 5.50 1134 1057 A 8 VAL HA A 18 LEU HBy 1.0 . 5.49 1135 1058 A 27 TYR HBy A 18 LEU HBy 1.0 . 5.50 1136 1059 A 11 ALA HB% A 18 LEU HBy 1.0 . 4.85 1137 1060 A 53 LEU HBx A 18 LEU HBy 1.0 . 5.50 1138 1061 A 16 ILE HG2% A 18 LEU HBy 1.0 . 5.50 1139 1062 A 53 LEU HDx% A 18 LEU HBy 1.0 . 4.01 1140 1063 A 18 LEU HDx% A 18 LEU HBy 1.0 . 3.59 1141 1064 A 17 THR HG2% A 18 LEU HBy 1.0 . 5.18 1142 1065 A 18 LEU HBx A 12 LEU HG 1.0 . 5.50 1143 1066 A 18 LEU HBx A 16 ILE HG2% 1.0 . 4.92 1144 1067 A 18 LEU HBx A 8 VAL HGx% 1.0 . 4.49 1145 1068 A 18 LEU HBx A 19 PHE H 1.0 . 4.68 1146 1069 A 7 ILE HD1% A 18 LEU HDx% 1.0 . 4.31 1147 1070 A 18 LEU HDx% A 25 LEU HG 1.0 . 5.35 1148 1071 A 18 LEU HDx% A 8 VAL HGy% 1.0 . 2.88 1149 1072 A 18 LEU HDx% A 49 LEU HDx% 1.0 . 3.78 1150 1073 A 18 LEU HDx% A 49 LEU HDy% 1.0 . 3.78 1151 1074 A 18 LEU HDx% A 53 LEU HDx% 1.0 . 3.82 1152 1075 A 18 LEU HDx% A 8 VAL HGx% 1.0 . 3.53 1153 1076 A 18 LEU HDx% A 49 LEU HBx 1.0 . 5.45 1154 1077 A 18 LEU HDx% A 8 VAL HB 1.0 . 4.86 1155 1078 A 18 LEU HDx% A 7 ILE HB 1.0 . 4.51 1156 1079 A 18 LEU HBx A 18 LEU HDx% 1.0 . 3.48 1157 1080 A 18 LEU HDx% A 27 TYR HBx 1.0 . 5.16 1158 1081 A 18 LEU HDx% A 17 THR HA 1.0 . 5.50 1159 1082 A 18 LEU HDx% A 42 TRP HH2 1.0 . 5.39 1160 1083 A 18 LEU HDx% A 10 GLU H 1.0 . 5.50 1161 1084 A 18 LEU HDx% A 9 ASN H 1.0 . 5.50 1162 1085 A 18 LEU HG A 19 PHE H 1.0 . 4.95 1163 1086 A 17 THR HA A 18 LEU HG 1.0 . 5.04 1164 1087 A 53 LEU HDx% A 19 PHE HA 1.0 . 3.69 1165 1088 A 53 LEU HDy% A 19 PHE HA 1.0 . 3.95 1166 1089 A 18 LEU HA A 19 PHE HB3 1.0 . 4.46 1167 1090 A 53 LEU HDx% A 19 PHE HB2 1.0 . 5.39 1168 1091 A 53 LEU HDx% A 19 PHE HB3 1.0 . 5.50 1169 1092 A 21 SER H A 20 VAL HB 1.0 . 4.44 1170 1093 A 50 ILE HG13 A 20 VAL HGy% 1.0 . 4.99 1171 1094 A 53 LEU HDx% A 20 VAL HGy% 1.0 . 4.73 1172 1095 A 25 LEU H A 20 VAL HGy% 1.0 . 4.88 1173 1096 A 25 LEU H A 20 VAL HGx% 1.0 . 4.88 1174 1097 A 20 VAL HA A 20 VAL HGx% 1.0 . 3.60 1175 1098 A 23 ASN HA A 20 VAL HGx% 1.0 . 4.71 1176 1099 A 50 ILE HG13 A 20 VAL HGx% 1.0 . 4.99 1177 1100 A 53 LEU HDx% A 20 VAL HGx% 1.0 . 4.73 1178 1101 A 21 SER HBx A 26 LYS HDy 1.0 . 4.08 1179 1102 A 21 SER HBx A 19 PHE HE% 1.0 . 4.20 1180 1103 A 21 SER HBx A 23 ASN H 1.0 . 5.50 1181 1104 A 21 SER HBy A 20 VAL HA 1.0 . 4.94 1182 1105 A 21 SER HBy A 19 PHE HE% 1.0 . 3.89 1183 1106 A 21 SER HBy A 19 PHE HD% 1.0 . 3.92 1184 1107 A 21 SER HBy A 26 LYS HDx 1.0 . 5.23 1185 1108 A 21 SER HBy A 26 LYS HDy 1.0 . 4.39 1186 1109 A 22 ASP HA A 23 ASN HBy 1.0 . 4.67 1187 1110 A 23 ASN HA A 22 ASP HA 1.0 . 4.82 1188 1111 A 21 SER HA A 22 ASP HA 1.0 . 4.82 1189 1112 A 24 LYS H A 22 ASP HA 1.0 . 4.60 1190 1113 A 24 LYS HB3 A 22 ASP HBx 1.0 . 5.50 1191 1114 A 24 LYS HB3 A 22 ASP HBy 1.0 . 5.50 1192 1115 A 23 ASN HA A 50 ILE HB 1.0 . 5.50 1193 1116 A 23 ASN HA A 20 VAL HB 1.0 . 5.27 1194 1117 A 23 ASN HA A 24 LYS HB2 1.0 . 5.50 1195 1118 A 23 ASN HA A 20 VAL HGy% 1.0 . 4.71 1196 1119 A 24 LYS HB2 A 23 ASN HBy 1.0 . 5.50 1197 1120 A 24 LYS H A 23 ASN HBy 1.0 . 4.48 1198 1121 A 24 LYS HB2 A 23 ASN HBx 1.0 . 4.96 1199 1122 A 24 LYS H A 23 ASN HBx 1.0 . 4.38 1200 1123 A 25 LEU HBy A 24 LYS HA 1.0 . 5.02 1201 1124 A 24 LYS HA A 50 ILE HD1% 1.0 . 3.57 1202 1125 A 50 ILE HG13 A 24 LYS HA 1.0 . 4.55 1203 1126 A 24 LYS HA A 24 LYS HD3 1.0 . 4.06 1204 1127 A 24 LYS HA A 24 LYS HG2 1.0 . 3.67 1205 1127 A 24 LYS HG3 A 24 LYS HA 1.0 . 3.67 1206 1128 A 25 LEU HBx A 24 LYS HA 1.0 . 4.88 1207 1129 A 25 LEU HA A 24 LYS HA 1.0 . 4.61 1208 1130 A 25 LEU H A 24 LYS HB2 1.0 . 4.86 1209 1131 A 24 LYS HB3 A 25 LEU H 1.0 . 5.18 1210 1132 A 24 LYS HB2 A 24 LYS HE2 1.0 . 5.01 1211 1132 A 24 LYS HB2 A 24 LYS HE3 1.0 . 5.01 1212 1133 A 24 LYS HB3 A 24 LYS HE2 1.0 . 5.50 1213 1133 A 24 LYS HB3 A 24 LYS HE3 1.0 . 5.50 1214 1134 A 25 LEU H A 24 LYS HD3 1.0 . 5.01 1215 1135 A 25 LEU H A 24 LYS HD2 1.0 . 5.01 1216 1136 A 25 LEU HA A 25 LEU HG 1.0 . 3.98 1217 1137 A 25 LEU HA A 20 VAL HGx% 1.0 . 4.21 1218 1138 A 25 LEU HA A 20 VAL HGy% 1.0 . 4.21 1219 1139 A 25 LEU HA A 50 ILE HG12 1.0 . 4.42 1220 1140 A 25 LEU HA A 25 LEU HDy% 1.0 . 4.22 1221 1141 A 25 LEU HA A 53 LEU HBy 1.0 . 5.26 1222 1142 A 20 VAL HA A 25 LEU HA 1.0 . 3.90 1223 1143 A 25 LEU HA A 50 ILE H 1.0 . 5.50 1224 1144 A 25 LEU HBx A 50 ILE HG13 1.0 . 4.38 1225 1145 A 50 ILE HG12 A 25 LEU HBy 1.0 . 3.62 1226 1146 A 25 LEU HBy A 50 ILE HG13 1.0 . 3.52 1227 1147 A 25 LEU HBy A 24 LYS HG2 1.0 . 5.50 1228 1147 A 25 LEU HBy A 24 LYS HG3 1.0 . 5.50 1229 1148 A 25 LEU HBy A 46 LYS HGx 1.0 . 5.50 1230 1148 A 25 LEU HBy A 46 LYS HGy 1.0 . 5.50 1231 1149 A 49 LEU HBy A 46 LYS HGx 1.0 . 5.50 1232 1149 A 46 LYS HGy A 49 LEU HBy 1.0 . 5.50 1233 1150 A 25 LEU H A 25 LEU HDy% 1.0 . 4.46 1234 1151 A 46 LYS HA A 25 LEU HDy% 1.0 . 4.36 1235 1152 A 42 TRP HBy A 25 LEU HDy% 1.0 . 5.50 1236 1153 A 25 LEU HBx A 25 LEU HDy% 1.0 . 3.72 1237 1154 A 25 LEU HBy A 25 LEU HDy% 1.0 . 3.81 1238 1155 A 25 LEU HBy A 25 LEU HDx% 1.0 . 3.81 1239 1156 A 25 LEU HBx A 25 LEU HDx% 1.0 . 3.72 1240 1157 A 25 LEU HA A 25 LEU HDx% 1.0 . 4.22 1241 1158 A 26 LYS H A 25 LEU HDx% 1.0 . 4.66 1242 1159 A 25 LEU H A 25 LEU HDx% 1.0 . 4.46 1243 1160 A 27 TYR HD% A 26 LYS HA 1.0 . 4.20 1244 1161 A 26 LYS HDx A 26 LYS HA 1.0 . 4.07 1245 1162 A 26 LYS HDy A 26 LYS HA 1.0 . 4.16 1246 1163 A 26 LYS HA A 26 LYS HG3 1.0 . 3.22 1247 1164 A 26 LYS HBy A 19 PHE HE% 1.0 . 4.74 1248 1165 A 26 LYS HBx A 27 TYR H 1.0 . 4.10 1249 1166 A 26 LYS HDy A 27 TYR H 1.0 . 5.30 1250 1167 A 26 LYS HDy A 19 PHE HE% 1.0 . 4.82 1251 1168 A 26 LYS HDx A 26 LYS HBx 1.0 . 4.11 1252 1169 A 21 SER HBx A 26 LYS HDx 1.0 . 4.82 1253 1170 A 26 LYS HDx A 27 TYR H 1.0 . 4.84 1254 1171 A 19 PHE HE% A 28 LYS HDx 1.0 . 5.50 1255 1172 A 19 PHE HE% A 28 LYS HDy 1.0 . 5.50 1256 1173 A 26 LYS HA A 26 LYS HEy 1.0 . 5.10 1257 1174 A 26 LYS HA A 26 LYS HEx 1.0 . 5.10 1258 1175 A 19 PHE HE% A 26 LYS HG2 1.0 . 4.71 1259 1176 A 26 LYS H A 26 LYS HG2 1.0 . 5.24 1260 1177 A 26 LYS H A 26 LYS HG3 1.0 . 5.50 1261 1178 A 27 TYR HA A 18 LEU HDy% 1.0 . 3.53 1262 1179 A 18 LEU HDx% A 27 TYR HA 1.0 . 5.25 1263 1180 A 18 LEU HBx A 27 TYR HA 1.0 . 5.33 1264 1181 A 27 TYR HA A 28 LYS HG2 1.0 . 5.50 1265 1181 A 27 TYR HA A 28 LYS HG3 1.0 . 5.50 1266 1182 A 27 TYR HA A 29 THR HG2% 1.0 . 5.50 1267 1183 A 27 TYR HA A 17 THR HG2% 1.0 . 4.74 1268 1184 A 27 TYR HA A 18 LEU HG 1.0 . 4.30 1269 1185 A 27 TYR HA A 26 LYS HG3 1.0 . 5.50 1270 1186 A 16 ILE HG2% A 27 TYR HA 1.0 . 3.87 1271 1187 A 27 TYR HA A 28 LYS HB2 1.0 . 4.60 1272 1187 A 27 TYR HA A 28 LYS HB3 1.0 . 4.60 1273 1188 A 27 TYR HA A 19 PHE HB3 1.0 . 5.45 1274 1189 A 27 TYR HA A 26 LYS HA 1.0 . 4.71 1275 1190 A 27 TYR HA A 18 LEU HA 1.0 . 3.81 1276 1191 A 19 PHE HD% A 27 TYR HA 1.0 . 3.76 1277 1192 A 27 TYR HA A 27 TYR HD% 1.0 . 3.77 1278 1193 A 27 TYR HBy A 19 PHE H 1.0 . 5.36 1279 1194 A 27 TYR HBy A 42 TRP HE3 1.0 . 5.33 1280 1195 A 27 TYR HBy A 18 LEU HA 1.0 . 4.53 1281 1196 A 18 LEU HG A 27 TYR HBy 1.0 . 4.48 1282 1197 A 38 LEU HBx A 27 TYR HBy 1.0 . 5.50 1283 1198 A 18 LEU HG A 27 TYR HBx 1.0 . 4.63 1284 1199 A 27 TYR HBx A 42 TRP HE3 1.0 . 5.44 1285 1200 A 16 ILE HG2% A 28 LYS HB2 1.0 . 4.50 1286 1200 A 16 ILE HG2% A 28 LYS HB3 1.0 . 4.50 1287 1201 A 19 PHE HE% A 28 LYS HB2 1.0 . 4.16 1288 1201 A 28 LYS HB3 A 19 PHE HE% 1.0 . 4.16 1289 1202 A 17 THR HG2% A 28 LYS HEx 1.0 . 4.63 1290 1203 A 17 THR HB A 28 LYS HEx 1.0 . 4.99 1291 1204 A 29 THR HB A 16 ILE HB 1.0 . 4.77 1292 1205 A 29 THR HB A 16 ILE HG12 1.0 . 4.32 1293 1205 A 29 THR HB A 16 ILE HG13 1.0 . 4.32 1294 1206 A 29 THR HB A 16 ILE HD1% 1.0 . 4.16 1295 1207 A 16 ILE HG2% A 29 THR HB 1.0 . 3.49 1296 1208 A 29 THR HB A 27 TYR HD% 1.0 . 4.71 1297 1209 A 29 THR HG2% A 27 TYR HE% 1.0 . 3.66 1298 1210 A 29 THR HG2% A 27 TYR HD% 1.0 . 3.58 1299 1211 A 29 THR HA A 29 THR HG2% 1.0 . 3.88 1300 1212 A 16 ILE HA A 29 THR HG2% 1.0 . 4.13 1301 1213 A 27 TYR HBy A 29 THR HG2% 1.0 . 4.86 1302 1214 A 29 THR HG2% A 31 ARG HG2 1.0 . 3.80 1303 1214 A 29 THR HG2% A 31 ARG HG3 1.0 . 3.80 1304 1215 A 29 THR HG2% A 34 ILE HB 1.0 . 4.65 1305 1216 A 29 THR HG2% A 16 ILE HG12 1.0 . 4.44 1306 1216 A 16 ILE HG13 A 29 THR HG2% 1.0 . 4.44 1307 1217 A 29 THR HG2% A 34 ILE HG1x 1.0 . 3.90 1308 1218 A 16 ILE HD1% A 29 THR HG2% 1.0 . 4.11 1309 1219 A 16 ILE HG2% A 29 THR HG2% 1.0 . 3.49 1310 1220 A 29 THR HG2% A 34 ILE HG2% 1.0 . 4.32 1311 1221 A 29 THR HG2% A 30 ASN HA 1.0 . 4.68 1312 1222 A 32 ASP HA A 31 ARG HA 1.0 . 4.52 1313 1223 A 38 LEU HDy% A 35 PRO HBx 1.0 . 4.69 1314 1224 A 31 ARG HDx A 16 ILE HG12 1.0 . 4.88 1315 1224 A 16 ILE HG13 A 31 ARG HDx 1.0 . 4.88 1316 1225 A 29 THR HG2% A 31 ARG HDx 1.0 . 4.90 1317 1226 A 16 ILE HG12 A 31 ARG HDy 1.0 . 4.88 1318 1226 A 16 ILE HG13 A 31 ARG HDy 1.0 . 4.88 1319 1227 A 29 THR HG2% A 31 ARG HDy 1.0 . 4.90 1320 1228 A 31 ARG H A 31 ARG HG2 1.0 . 3.74 1321 1228 A 31 ARG H A 31 ARG HG3 1.0 . 3.74 1322 1229 A 29 THR HG2% A 32 ASP HA 1.0 . 4.80 1323 1230 A 31 ARG HA A 32 ASP HB2 1.0 . 4.59 1324 1230 A 32 ASP HB3 A 31 ARG HA 1.0 . 4.59 1325 1231 A 33 SER H A 32 ASP HB2 1.0 . 4.00 1326 1231 A 32 ASP HB3 A 33 SER H 1.0 . 4.00 1327 1232 A 34 ILE H A 33 SER HBy 1.0 . 4.31 1328 1233 A 32 ASP HA A 33 SER HBx 1.0 . 5.50 1329 1234 A 34 ILE H A 33 SER HBx 1.0 . 4.59 1330 1235 A 34 ILE HA A 31 ARG HG2 1.0 . 4.41 1331 1235 A 31 ARG HG3 A 34 ILE HA 1.0 . 4.41 1332 1236 A 39 LEU HA A 34 ILE HD1% 1.0 . 4.82 1333 1237 A 34 ILE HD1% A 35 PRO HBy 1.0 . 4.68 1334 1238 A 34 ILE HD1% A 35 PRO HGy 1.0 . 4.38 1335 1239 A 34 ILE HG2% A 31 ARG HG2 1.0 . 5.03 1336 1239 A 34 ILE HG2% A 31 ARG HG3 1.0 . 5.03 1337 1240 A 34 ILE HD1% A 34 ILE HB 1.0 . 3.70 1338 1241 A 34 ILE HG2% A 16 ILE HG12 1.0 . 4.14 1339 1241 A 16 ILE HG13 A 34 ILE HG2% 1.0 . 4.14 1340 1242 A 34 ILE HG2% A 34 ILE HG1x 1.0 . 3.77 1341 1243 A 16 ILE HD1% A 34 ILE HG2% 1.0 . 3.38 1342 1244 A 16 ILE HG2% A 34 ILE HG2% 1.0 . 3.76 1343 1245 A 32 ASP HA A 34 ILE HG2% 1.0 . 3.50 1344 1246 A 34 ILE HD1% A 35 PRO HDy 1.0 . 4.12 1345 1247 A 34 ILE HD1% A 36 SER HA 1.0 . 4.05 1346 1248 A 34 ILE HG2% A 33 SER HBy 1.0 . 5.21 1347 1249 A 34 ILE HD1% A 42 TRP HE3 1.0 . 4.89 1348 1250 A 34 ILE HD1% A 42 TRP HZ2 1.0 . 4.81 1349 1251 A 34 ILE HD1% A 38 LEU H 1.0 . 4.54 1350 1252 A 27 TYR HD% A 34 ILE HG2% 1.0 . 5.04 1351 1253 A 27 TYR HD% A 34 ILE HD1% 1.0 . 5.50 1352 1254 A 34 ILE HG2% A 42 TRP HH2 1.0 . 4.36 1353 1255 A 34 ILE HD1% A 42 TRP HH2 1.0 . 4.51 1354 1256 A 32 ASP HA A 34 ILE HG1x 1.0 . 4.41 1355 1257 A 32 ASP HA A 34 ILE HG1y 1.0 . 4.85 1356 1258 A 35 PRO HA A 37 GLU HB3 1.0 . 5.49 1357 1259 A 38 LEU HDy% A 35 PRO HA 1.0 . 5.36 1358 1260 A 38 LEU HDx% A 35 PRO HA 1.0 . 5.39 1359 1261 A 34 ILE HD1% A 35 PRO HA 1.0 . 4.71 1360 1262 A 38 LEU H A 35 PRO HBx 1.0 . 5.06 1361 1263 A 38 LEU HDx% A 35 PRO HBx 1.0 . 4.42 1362 1264 A 38 LEU HDy% A 35 PRO HBy 1.0 . 4.36 1363 1265 A 35 PRO HBy A 38 LEU HBy 1.0 . 4.59 1364 1266 A 35 PRO HDx A 14 GLN HG2 1.0 . 4.38 1365 1267 A 34 ILE HB A 35 PRO HDx 1.0 . 4.41 1366 1268 A 38 LEU HDy% A 35 PRO HDx 1.0 . 4.56 1367 1269 A 16 ILE HD1% A 35 PRO HDx 1.0 . 4.14 1368 1270 A 34 ILE HG2% A 35 PRO HDx 1.0 . 4.41 1369 1271 A 34 ILE HD1% A 35 PRO HDx 1.0 . 4.80 1370 1272 A 14 GLN HG2 A 35 PRO HDy 1.0 . 4.41 1371 1273 A 34 ILE HB A 35 PRO HDy 1.0 . 4.33 1372 1274 A 38 LEU HDy% A 35 PRO HDy 1.0 . 4.46 1373 1275 A 34 ILE HG1x A 35 PRO HDy 1.0 . 4.62 1374 1276 A 16 ILE HD1% A 35 PRO HDy 1.0 . 4.17 1375 1277 A 38 LEU HDx% A 35 PRO HDy 1.0 . 3.95 1376 1278 A 34 ILE HG2% A 35 PRO HDy 1.0 . 4.14 1377 1279 A 14 GLN HG2 A 35 PRO HGx 1.0 . 3.75 1378 1280 A 38 LEU HDx% A 35 PRO HGx 1.0 . 4.12 1379 1281 A 50 ILE HG2% A 47 GLN HA 1.0 . 4.79 1380 1282 A 47 GLN HA A 46 LYS HGx 1.0 . 4.59 1381 1282 A 46 LYS HGy A 47 GLN HA 1.0 . 4.59 1382 1283 A 47 GLN HA A 47 GLN HG2 1.0 . 3.31 1383 1283 A 47 GLN HA A 47 GLN HG3 1.0 . 3.31 1384 1284 A 50 ILE HB A 47 GLN HA 1.0 . 3.72 1385 1285 A 50 ILE H A 47 GLN HA 1.0 . 4.11 1386 1286 A 41 GLU H A 37 GLU HA 1.0 . 4.26 1387 1287 A 39 LEU H A 36 SER HB2 1.0 . 5.35 1388 1287 A 39 LEU H A 36 SER HB3 1.0 . 5.35 1389 1288 A 39 LEU H A 37 GLU HA 1.0 . 5.50 1390 1289 A 37 GLU HB2 A 37 GLU HA 1.0 . 2.83 1391 1290 A 38 LEU HDx% A 37 GLU HA 1.0 . 4.88 1392 1291 A 38 LEU HDx% A 37 GLU HB2 1.0 . 4.10 1393 1292 A 38 LEU HA A 34 ILE HD1% 1.0 . 4.97 1394 1293 A 38 LEU HA A 38 LEU HDx% 1.0 . 3.07 1395 1294 A 38 LEU HA A 38 LEU HDy% 1.0 . 3.92 1396 1295 A 38 LEU HA A 41 GLU HG2 1.0 . 5.09 1397 1295 A 38 LEU HA A 41 GLU HG3 1.0 . 5.09 1398 1296 A 38 LEU HA A 37 GLU HG2 1.0 . 5.24 1399 1297 A 38 LEU HA A 37 GLU HG3 1.0 . 5.24 1400 1298 A 38 LEU HA A 41 GLU HBx 1.0 . 3.70 1401 1299 A 38 LEU HA A 41 GLU HBy 1.0 . 3.92 1402 1300 A 38 LEU HA A 37 GLU HB2 1.0 . 5.27 1403 1301 A 38 LEU HA A 40 GLU HB2 1.0 . 5.50 1404 1301 A 38 LEU HA A 40 GLU HB3 1.0 . 5.50 1405 1302 A 38 LEU HA A 42 TRP HD1 1.0 . 4.99 1406 1303 A 38 LEU HBx A 39 LEU H 1.0 . 4.24 1407 1304 A 34 ILE HD1% A 38 LEU HBy 1.0 . 3.85 1408 1305 A 38 LEU HDx% A 38 LEU HBy 1.0 . 3.58 1409 1306 A 38 LEU HBy A 39 LEU HG 1.0 . 4.80 1410 1307 A 38 LEU HDy% A 38 LEU HBy 1.0 . 3.32 1411 1308 A 38 LEU HBx A 38 LEU HDy% 1.0 . 3.41 1412 1309 A 56 LEU HA A 56 LEU HDy% 1.0 . 4.22 1413 1310 A 38 LEU HDx% A 35 PRO HDx 1.0 . 4.50 1414 1311 A 38 LEU HA A 38 LEU HG 1.0 . 3.15 1415 1312 A 39 LEU HA A 42 TRP HE3 1.0 . 3.65 1416 1313 A 39 LEU HA A 39 LEU HG 1.0 . 3.75 1417 1314 A 39 LEU HA A 39 LEU HDx% 1.0 . 3.91 1418 1315 A 39 LEU HA A 39 LEU HDy% 1.0 . 3.08 1419 1316 A 39 LEU HBx A 39 LEU HDy% 1.0 . 3.61 1420 1317 A 39 LEU HBy A 39 LEU HDx% 1.0 . 3.58 1421 1318 A 39 LEU HBx A 39 LEU HDx% 1.0 . 3.29 1422 1319 A 36 SER HA A 39 LEU HDx% 1.0 . 3.26 1423 1320 A 39 LEU H A 39 LEU HDx% 1.0 . 4.01 1424 1321 A 40 GLU HA A 43 LYS HB3 1.0 . 3.33 1425 1322 A 43 LYS H A 40 GLU HA 1.0 . 3.76 1426 1323 A 40 GLU HA A 40 GLU HG2 1.0 . 3.73 1427 1324 A 40 GLU HA A 40 GLU HG3 1.0 . 3.73 1428 1325 A 40 GLU H A 40 GLU HG2 1.0 . 4.14 1429 1326 A 40 GLU H A 40 GLU HG3 1.0 . 4.14 1430 1327 A 41 GLU H A 40 GLU HG2 1.0 . 5.50 1431 1328 A 41 GLU H A 40 GLU HG3 1.0 . 5.50 1432 1329 A 41 GLU HA A 40 GLU HB2 1.0 . 4.22 1433 1329 A 40 GLU HB3 A 41 GLU HA 1.0 . 4.22 1434 1330 A 7 ILE HG2% A 41 GLU HBx 1.0 . 3.98 1435 1331 A 41 GLU HBx A 38 LEU HDx% 1.0 . 4.60 1436 1332 A 7 ILE HG2% A 42 TRP HA 1.0 . 3.80 1437 1333 A 42 TRP HBx A 42 TRP HE3 1.0 . 4.02 1438 1334 A 18 LEU HDy% A 42 TRP HBx 1.0 . 5.13 1439 1335 A 42 TRP HA A 7 ILE HG1y 1.0 . 4.92 1440 1336 A 42 TRP HA A 41 GLU HBx 1.0 . 4.40 1441 1337 A 42 TRP HA A 41 GLU H 1.0 . 5.50 1442 1338 A 42 TRP HA A 42 TRP HE3 1.0 . 5.50 1443 1339 A 40 GLU H A 41 GLU HA 1.0 . 5.47 1444 1340 A 41 GLU HA A 44 GLN HE22 1.0 . 5.50 1445 1341 A 42 TRP HBy A 25 LEU HDx% 1.0 . 5.50 1446 1342 A 42 TRP HBy A 42 TRP HE3 1.0 . 4.10 1447 1343 A 43 LYS HA A 46 LYS HE2 1.0 . 5.50 1448 1344 A 43 LYS HA A 46 LYS HE3 1.0 . 5.50 1449 1345 A 43 LYS HA A 42 TRP HBx 1.0 . 4.30 1450 1346 A 43 LYS HA A 46 LYS HBx 1.0 . 3.34 1451 1347 A 43 LYS HA A 43 LYS HD2 1.0 . 5.30 1452 1348 A 43 LYS HA A 43 LYS HDy 1.0 . 5.30 1453 1349 A 43 LYS HA A 46 LYS HDx 1.0 . 5.50 1454 1350 A 43 LYS HA A 46 LYS HDy 1.0 . 5.50 1455 1351 A 43 LYS HA A 46 LYS HGx 1.0 . 3.67 1456 1351 A 43 LYS HA A 46 LYS HGy 1.0 . 3.67 1457 1352 A 43 LYS HB3 A 43 LYS HD2 1.0 . 4.03 1458 1353 A 43 LYS HB3 A 43 LYS HDy 1.0 . 4.03 1459 1354 A 42 TRP H A 43 LYS HB3 1.0 . 5.39 1460 1355 A 42 TRP H A 43 LYS HB2 1.0 . 5.50 1461 1356 A 44 GLN HGy A 44 GLN HA 1.0 . 3.83 1462 1357 A 44 GLN HGx A 44 GLN HA 1.0 . 3.30 1463 1358 A 44 GLN HA A 46 LYS HGx 1.0 . 4.55 1464 1358 A 46 LYS HGy A 44 GLN HA 1.0 . 4.55 1465 1359 A 46 LYS H A 44 GLN HA 1.0 . 4.38 1466 1360 A 41 GLU HA A 44 GLN HBx 1.0 . 4.15 1467 1361 A 44 GLN H A 44 GLN HBx 1.0 . 3.58 1468 1362 A 44 GLN HBx A 44 GLN HE22 1.0 . 4.46 1469 1363 A 51 ASP HA A 55 GLN HB2 1.0 . 4.81 1470 1363 A 51 ASP HA A 55 GLN HB3 1.0 . 4.81 1471 1364 A 45 HIS HA A 47 GLN HBx 1.0 . 4.60 1472 1365 A 45 HIS HBy A 49 LEU HDy% 1.0 . 5.10 1473 1366 A 45 HIS HBy A 41 GLU HG2 1.0 . 4.55 1474 1366 A 41 GLU HG3 A 45 HIS HBy 1.0 . 4.55 1475 1367 A 45 HIS HBx A 48 GLU HG3 1.0 . 5.50 1476 1368 A 45 HIS HBx A 44 GLN HBy 1.0 . 5.50 1477 1369 A 45 HIS HBx A 49 LEU HG 1.0 . 5.18 1478 1370 A 4 ALA HB% A 45 HIS HBx 1.0 . 4.69 1479 1371 A 45 HIS HBx A 49 LEU HDy% 1.0 . 4.94 1480 1372 A 7 ILE HD1% A 45 HIS HBx 1.0 . 4.09 1481 1373 A 46 LYS HA A 46 LYS HGx 1.0 . 3.74 1482 1373 A 46 LYS HGy A 46 LYS HA 1.0 . 3.74 1483 1374 A 50 ILE HG13 A 46 LYS HA 1.0 . 4.83 1484 1375 A 46 LYS HA A 49 LEU HBy 1.0 . 4.12 1485 1376 A 43 LYS HA A 46 LYS HA 1.0 . 4.64 1486 1377 A 46 LYS HBx A 47 GLN H 1.0 . 4.19 1487 1378 A 46 LYS HBy A 43 LYS HA 1.0 . 4.29 1488 1379 A 46 LYS H A 46 LYS HBy 1.0 . 3.62 1489 1380 A 47 GLN HA A 46 LYS HDx 1.0 . 4.60 1490 1381 A 47 GLN HA A 46 LYS HDy 1.0 . 4.60 1491 1382 A 47 GLN H A 46 LYS HGx 1.0 . 4.83 1492 1382 A 46 LYS HGy A 47 GLN H 1.0 . 4.83 1493 1383 A 48 GLU H A 47 GLN HBy 1.0 . 4.11 1494 1384 A 47 GLN H A 47 GLN HG2 1.0 . 4.28 1495 1384 A 47 GLN H A 47 GLN HG3 1.0 . 4.28 1496 1385 A 48 GLU H A 47 GLN HG2 1.0 . 3.97 1497 1385 A 48 GLU H A 47 GLN HG3 1.0 . 3.97 1498 1386 A 44 GLN H A 44 GLN HGy 1.0 . 4.02 1499 1387 A 48 GLU HA A 51 ASP HBx 1.0 . 3.62 1500 1388 A 48 GLU HA A 51 ASP HBy 1.0 . 3.64 1501 1389 A 48 GLU HA A 47 GLN H 1.0 . 5.50 1502 1390 A 45 HIS HBx A 48 GLU HG2 1.0 . 4.40 1503 1391 A 48 GLU HA A 48 GLU HG2 1.0 . 3.99 1504 1392 A 48 GLU HG2 A 47 GLN H 1.0 . 4.66 1505 1393 A 52 PHE HBx A 49 LEU HA 1.0 . 4.07 1506 1394 A 6 LYS HA A 6 LYS HE2 1.0 . 3.54 1507 1394 A 6 LYS HA A 6 LYS HE3 1.0 . 3.54 1508 1395 A 6 LYS HA A 6 LYS HD2 1.0 . 3.64 1509 1395 A 6 LYS HA A 6 LYS HD3 1.0 . 3.64 1510 1396 A 49 LEU HA A 49 LEU HG 1.0 . 4.03 1511 1397 A 4 ALA HB% A 49 LEU HA 1.0 . 3.23 1512 1398 A 49 LEU HA A 49 LEU HDx% 1.0 . 4.06 1513 1399 A 4 ALA HB% A 49 LEU HBx 1.0 . 4.70 1514 1400 A 8 VAL HGy% A 49 LEU HBx 1.0 . 5.08 1515 1401 A 46 LYS HA A 49 LEU HBx 1.0 . 4.44 1516 1402 A 7 ILE HB A 49 LEU HDy% 1.0 . 4.47 1517 1403 A 49 LEU HBx A 49 LEU HDy% 1.0 . 3.78 1518 1404 A 45 HIS HBx A 49 LEU HDx% 1.0 . 4.94 1519 1405 A 45 HIS HBy A 49 LEU HDx% 1.0 . 5.10 1520 1406 A 49 LEU HBx A 49 LEU HDx% 1.0 . 3.78 1521 1407 A 50 ILE HA A 20 VAL HGx% 1.0 . 3.58 1522 1408 A 50 ILE HA A 20 VAL HGy% 1.0 . 3.58 1523 1409 A 50 ILE HG12 A 50 ILE HA 1.0 . 3.70 1524 1410 A 50 ILE HG13 A 50 ILE HA 1.0 . 3.47 1525 1411 A 53 LEU HDx% A 50 ILE HA 1.0 . 4.15 1526 1412 A 50 ILE HA A 53 LEU HBx 1.0 . 4.40 1527 1413 A 50 ILE HD1% A 20 VAL HB 1.0 . 5.50 1528 1414 A 50 ILE HD1% A 24 LYS HG2 1.0 . 4.59 1529 1414 A 24 LYS HG3 A 50 ILE HD1% 1.0 . 4.59 1530 1415 A 50 ILE HD1% A 46 LYS HGx 1.0 . 5.03 1531 1415 A 50 ILE HD1% A 46 LYS HGy 1.0 . 5.03 1532 1416 A 25 LEU HBy A 50 ILE HD1% 1.0 . 3.66 1533 1417 A 50 ILE HD1% A 46 LYS HBy 1.0 . 4.40 1534 1418 A 50 ILE HD1% A 23 ASN HBx 1.0 . 5.42 1535 1419 A 25 LEU HA A 50 ILE HD1% 1.0 . 4.42 1536 1420 A 50 ILE HD1% A 47 GLN HA 1.0 . 3.50 1537 1421 A 50 ILE HD1% A 50 ILE HA 1.0 . 4.02 1538 1422 A 50 ILE HD1% A 51 ASP H 1.0 . 4.52 1539 1423 A 50 ILE HD1% A 47 GLN H 1.0 . 4.42 1540 1424 A 50 ILE HD1% A 50 ILE H 1.0 . 3.63 1541 1425 A 50 ILE HD1% A 47 GLN HE21 1.0 . 4.51 1542 1426 A 50 ILE HD1% A 47 GLN HE22 1.0 . 4.39 1543 1427 A 50 ILE HD1% A 24 LYS H 1.0 . 4.81 1544 1428 A 50 ILE HG2% A 54 THR HG2% 1.0 . 3.54 1545 1429 A 25 LEU HBy A 50 ILE HG2% 1.0 . 4.57 1546 1430 A 50 ILE HG2% A 20 VAL HB 1.0 . 3.99 1547 1431 A 50 ILE HG2% A 23 ASN HBx 1.0 . 4.58 1548 1432 A 51 ASP HBx A 50 ILE HG2% 1.0 . 4.67 1549 1433 A 50 ILE HG2% A 50 ILE HA 1.0 . 3.28 1550 1434 A 24 LYS HA A 50 ILE HG2% 1.0 . 5.17 1551 1435 A 50 ILE HG2% A 51 ASP HA 1.0 . 3.96 1552 1436 A 23 ASN HA A 50 ILE HG2% 1.0 . 3.93 1553 1437 A 50 ILE HG2% A 23 ASN H 1.0 . 4.87 1554 1438 A 53 LEU H A 50 ILE HG2% 1.0 . 4.86 1555 1439 A 50 ILE H A 50 ILE HG2% 1.0 . 3.88 1556 1440 A 50 ILE HG2% A 54 THR H 1.0 . 4.97 1557 1441 A 50 ILE HG2% A 52 PHE H 1.0 . 5.31 1558 1442 A 50 ILE HG2% A 47 GLN HE21 1.0 . 4.57 1559 1443 A 54 THR H A 51 ASP HA 1.0 . 3.96 1560 1444 A 50 ILE H A 51 ASP HA 1.0 . 5.47 1561 1445 A 50 ILE HB A 51 ASP HA 1.0 . 4.61 1562 1446 A 52 PHE HD% A 52 PHE HA 1.0 . 3.43 1563 1447 A 52 PHE HA A 52 PHE HE% 1.0 . 4.97 1564 1448 A 52 PHE HA A 55 GLN HE21 1.0 . 5.18 1565 1449 A 52 PHE HA A 55 GLN HGx 1.0 . 4.30 1566 1450 A 52 PHE HA A 55 GLN HB2 1.0 . 3.91 1567 1450 A 52 PHE HA A 55 GLN HB3 1.0 . 3.91 1568 1451 A 4 ALA HB% A 52 PHE HA 1.0 . 4.28 1569 1452 A 52 PHE HBx A 53 LEU HG 1.0 . 4.81 1570 1453 A 52 PHE HBx A 4 ALA HB% 1.0 . 3.49 1571 1454 A 52 PHE HBy A 53 LEU HG 1.0 . 5.49 1572 1455 A 49 LEU HA A 52 PHE HBy 1.0 . 4.26 1573 1456 A 53 LEU H A 52 PHE HBy 1.0 . 4.18 1574 1457 A 52 PHE HD% A 53 LEU HA 1.0 . 4.21 1575 1458 A 53 LEU HA A 56 LEU HG 1.0 . 3.61 1576 1459 A 53 LEU HA A 53 LEU HDy% 1.0 . 2.87 1577 1460 A 53 LEU HDx% A 53 LEU HA 1.0 . 3.95 1578 1461 A 53 LEU HDy% A 53 LEU HBy 1.0 . 3.49 1579 1462 A 18 LEU HDx% A 53 LEU HDy% 1.0 . 4.43 1580 1463 A 53 LEU HDy% A 53 LEU HBx 1.0 . 3.24 1581 1464 A 8 VAL HGx% A 53 LEU HDy% 1.0 . 3.15 1582 1465 A 18 LEU HBx A 53 LEU HDy% 1.0 . 3.73 1583 1466 A 53 LEU HDy% A 19 PHE HB2 1.0 . 4.72 1584 1467 A 53 LEU HDy% A 19 PHE HB3 1.0 . 5.02 1585 1468 A 52 PHE HE% A 53 LEU HDy% 1.0 . 3.85 1586 1469 A 52 PHE HD% A 53 LEU HDy% 1.0 . 3.62 1587 1470 A 53 LEU HDy% A 19 PHE H 1.0 . 4.47 1588 1471 A 53 LEU HDx% A 25 LEU HBy 1.0 . 4.26 1589 1472 A 53 LEU HDx% A 49 LEU HBy 1.0 . 4.59 1590 1473 A 18 LEU HBx A 53 LEU HDx% 1.0 . 3.95 1591 1474 A 53 LEU HDx% A 53 LEU HBx 1.0 . 3.65 1592 1475 A 53 LEU HDx% A 53 LEU HBy 1.0 . 3.56 1593 1476 A 53 LEU HDx% A 20 VAL HB 1.0 . 5.02 1594 1477 A 53 LEU HDx% A 49 LEU HG 1.0 . 5.42 1595 1478 A 53 LEU HDx% A 49 LEU HBx 1.0 . 4.87 1596 1479 A 20 VAL HA A 53 LEU HDx% 1.0 . 5.50 1597 1480 A 25 LEU HA A 53 LEU HDx% 1.0 . 4.73 1598 1481 A 53 LEU HDx% A 52 PHE HD% 1.0 . 4.55 1599 1482 A 53 LEU H A 53 LEU HG 1.0 . 4.12 1600 1483 A 54 THR HA A 55 GLN HGy 1.0 . 5.50 1601 1484 A 54 THR HA A 57 GLU HBy 1.0 . 4.79 1602 1485 A 54 THR HA A 57 GLU HBx 1.0 . 4.79 1603 1486 A 54 THR HA A 53 LEU HBy 1.0 . 4.76 1604 1487 A 54 THR HA A 20 VAL HB 1.0 . 5.50 1605 1488 A 54 THR HA A 56 LEU HB2 1.0 . 5.50 1606 1488 A 54 THR HA A 56 LEU HB3 1.0 . 5.50 1607 1489 A 54 THR HA A 56 LEU HG 1.0 . 5.50 1608 1490 A 54 THR HA A 54 THR HG2% 1.0 . 3.20 1609 1491 A 54 THR HA A 20 VAL HGx% 1.0 . 4.77 1610 1492 A 54 THR HA A 20 VAL HGy% 1.0 . 4.77 1611 1493 A 53 LEU H A 54 THR HA 1.0 . 5.22 1612 1494 A 54 THR HB A 20 VAL HGx% 1.0 . 4.64 1613 1495 A 50 ILE HG2% A 54 THR HB 1.0 . 4.98 1614 1496 A 54 THR HB A 20 VAL HGy% 1.0 . 4.64 1615 1497 A 54 THR HB A 55 GLN HB2 1.0 . 5.50 1616 1497 A 55 GLN HB3 A 54 THR HB 1.0 . 5.50 1617 1498 A 55 GLN H A 54 THR HB 1.0 . 3.93 1618 1499 A 53 LEU H A 54 THR HB 1.0 . 4.91 1619 1500 A 54 THR HG2% A 20 VAL HGx% 1.0 . 4.32 1620 1501 A 54 THR HG2% A 53 LEU HBx 1.0 . 5.32 1621 1502 A 50 ILE HB A 54 THR HG2% 1.0 . 4.96 1622 1503 A 54 THR HG2% A 53 LEU HBy 1.0 . 5.25 1623 1504 A 54 THR HG2% A 55 GLN HB2 1.0 . 4.64 1624 1504 A 55 GLN HB3 A 54 THR HG2% 1.0 . 4.64 1625 1505 A 54 THR HG2% A 50 ILE HA 1.0 . 4.69 1626 1506 A 53 LEU HA A 54 THR HG2% 1.0 . 5.18 1627 1507 A 54 THR HG2% A 55 GLN HA 1.0 . 4.05 1628 1508 A 51 ASP HA A 54 THR HG2% 1.0 . 3.94 1629 1509 A 53 LEU H A 54 THR HG2% 1.0 . 4.73 1630 1510 A 50 ILE H A 54 THR HG2% 1.0 . 5.50 1631 1511 A 55 GLN HGx A 55 GLN HA 1.0 . 4.21 1632 1512 A 55 GLN HGy A 55 GLN HA 1.0 . 3.71 1633 1513 A 58 SER H A 55 GLN HA 1.0 . 4.06 1634 1514 A 57 GLU H A 55 GLN HA 1.0 . 4.51 1635 1515 A 56 LEU HA A 56 LEU HDx% 1.0 . 4.22 1636 1516 A 56 LEU HA A 59 GLU HBx 1.0 . 4.37 1637 1517 A 56 LEU HA A 55 GLN HGy 1.0 . 4.47 1638 1518 A 56 LEU HA A 59 GLU HBy 1.0 . 4.37 1639 1519 A 56 LEU HB3 A 56 LEU HDy% 1.0 . 3.14 1640 1519 A 56 LEU HB2 A 56 LEU HDy% 1.0 . 3.14 1641 1520 A 53 LEU HDy% A 56 LEU HB2 1.0 . 4.63 1642 1520 A 56 LEU HB3 A 53 LEU HDy% 1.0 . 4.63 1643 1521 A 53 LEU HA A 56 LEU HB2 1.0 . 3.92 1644 1521 A 53 LEU HA A 56 LEU HB3 1.0 . 3.92 1645 1522 A 54 THR H A 56 LEU HB2 1.0 . 5.50 1646 1522 A 54 THR H A 56 LEU HB3 1.0 . 5.50 1647 1523 A 58 SER H A 56 LEU HB2 1.0 . 5.50 1648 1523 A 58 SER H A 56 LEU HB3 1.0 . 5.50 1649 1524 A 55 GLN H A 56 LEU HB2 1.0 . 4.64 1650 1524 A 55 GLN H A 56 LEU HB3 1.0 . 4.64 1651 1525 A 56 LEU HB3 A 56 LEU HDx% 1.0 . 3.14 1652 1525 A 56 LEU HDx% A 56 LEU HB2 1.0 . 3.14 1653 1526 A 39 LEU H A 39 LEU HDy% 1.0 . 3.90 1654 1527 A 42 TRP HE3 A 39 LEU HDy% 1.0 . 3.53 1655 1528 A 38 LEU HDx% A 35 PRO HBy 1.0 . 3.84 1656 1529 A 38 LEU HDx% A 35 PRO HGy 1.0 . 3.46 1657 1530 A 56 LEU HA A 56 LEU HG 1.0 . 4.10 1658 1531 A 56 LEU HG A 56 LEU H 1.0 . 3.86 1659 1532 A 57 GLU HA A 57 GLU HGy 1.0 . 3.64 1660 1533 A 57 GLU HA A 57 GLU HGx 1.0 . 3.64 1661 1534 A 60 GLU HA A 60 GLU HG2 1.0 . 3.17 1662 1534 A 60 GLU HA A 60 GLU HG3 1.0 . 3.17 1663 1535 A 33 SER HA A 32 ASP HB2 1.0 . 4.50 1664 1535 A 32 ASP HB3 A 33 SER HA 1.0 . 4.50 1665 1536 A 59 GLU HA A 59 GLU HG2 1.0 . 3.97 1666 1536 A 59 GLU HG3 A 59 GLU HA 1.0 . 3.97 1667 1537 A 50 ILE H A 4 ALA HB% 1.0 . 4.58 1668 1538 A 53 LEU H A 4 ALA HB% 1.0 . 4.29 1669 1539 A 4 ALA HB% A 52 PHE HE% 1.0 . 4.38 1670 1540 A 4 ALA HB% A 53 LEU HBy 1.0 . 5.50 1671 1541 A 11 ALA H A 42 TRP HZ2 1.0 . 5.29 1672 1542 A 27 TYR HD% A 42 TRP HZ2 1.0 . 4.76 1673 1543 A 11 ALA HA A 42 TRP HZ2 1.0 . 3.76 1674 1544 A 38 LEU HA A 42 TRP HZ2 1.0 . 4.89 1675 1545 A 27 TYR HBy A 42 TRP HZ2 1.0 . 4.23 1676 1546 A 16 ILE HB A 42 TRP HZ2 1.0 . 3.74 1677 1547 A 11 ALA HB% A 42 TRP HZ2 1.0 . 2.83 1678 1548 A 42 TRP HZ2 A 16 ILE HG12 1.0 . 4.49 1679 1548 A 16 ILE HG13 A 42 TRP HZ2 1.0 . 4.49 1680 1549 A 38 LEU HDy% A 42 TRP HZ2 1.0 . 3.87 1681 1550 A 18 LEU HG A 42 TRP HZ2 1.0 . 4.08 1682 1551 A 16 ILE HG2% A 42 TRP HZ2 1.0 . 2.96 1683 1552 A 38 LEU HG A 42 TRP HZ2 1.0 . 2.77 1684 1553 A 38 LEU HBx A 42 TRP HZ2 1.0 . 3.16 1685 1554 A 18 LEU HDx% A 42 TRP HZ2 1.0 . 3.69 1686 1555 A 18 LEU HDy% A 42 TRP HZ2 1.0 . 3.54 1687 1556 A 42 TRP H A 42 TRP HD1 1.0 . 3.48 1688 1557 A 42 TRP HA A 42 TRP HD1 1.0 . 3.14 1689 1558 A 41 GLU HBx A 42 TRP HD1 1.0 . 3.76 1690 1559 A 7 ILE HG2% A 42 TRP HD1 1.0 . 2.89 1691 1560 A 42 TRP HD1 A 49 LEU HDx% 1.0 . 3.54 1692 1561 A 42 TRP HD1 A 49 LEU HDy% 1.0 . 3.54 1693 1562 A 7 ILE HD1% A 42 TRP HD1 1.0 . 3.98 1694 1563 A 18 LEU HDx% A 42 TRP HD1 1.0 . 4.09 1695 1564 A 18 LEU HDy% A 42 TRP HH2 1.0 . 4.20 1696 1565 A 34 ILE HG1x A 42 TRP HH2 1.0 . 4.65 1697 1566 A 16 ILE HD1% A 42 TRP HH2 1.0 . 3.29 1698 1567 A 16 ILE HG2% A 42 TRP HH2 1.0 . 3.06 1699 1568 A 38 LEU HBx A 42 TRP HH2 1.0 . 3.41 1700 1569 A 38 LEU HDy% A 42 TRP HH2 1.0 . 4.38 1701 1570 A 34 ILE HB A 42 TRP HH2 1.0 . 4.73 1702 1571 A 27 TYR HBy A 42 TRP HH2 1.0 . 4.49 1703 1572 A 27 TYR HD% A 42 TRP HZ3 1.0 . 4.09 1704 1573 A 42 TRP HZ3 A 39 LEU HDy% 1.0 . 3.73 1705 1574 A 34 ILE HD1% A 42 TRP HZ3 1.0 . 4.01 1706 1575 A 38 LEU HBx A 42 TRP HZ3 1.0 . 4.58 1707 1576 A 18 LEU HDy% A 42 TRP HZ3 1.0 . 4.48 1708 1577 A 44 GLN HBx A 45 HIS HD2 1.0 . 3.74 1709 1578 A 44 GLN HBy A 45 HIS HD2 1.0 . 3.28 1710 1579 A 45 HIS HD2 A 41 GLU HG2 1.0 . 3.53 1711 1579 A 41 GLU HG3 A 45 HIS HD2 1.0 . 3.53 1712 1580 A 45 HIS HBy A 45 HIS HD2 1.0 . 3.81 1713 1581 A 41 GLU HA A 45 HIS HD2 1.0 . 3.74 1714 1582 A 45 HIS HA A 45 HIS HD2 1.0 . 4.18 1715 1583 A 45 HIS H A 45 HIS HD2 1.0 . 3.68 1716 1584 A 44 GLN H A 45 HIS HD2 1.0 . 4.55 1717 1585 A 45 HIS HE1 A 41 GLU HG2 1.0 . 5.42 1718 1585 A 41 GLU HG3 A 45 HIS HE1 1.0 . 5.42 1719 1586 A 52 PHE HD% A 53 LEU HG 1.0 . 4.17 1720 1587 A 5 ALA HB% A 52 PHE HD% 1.0 . 4.12 1721 1588 A 4 ALA HB% A 52 PHE HD% 1.0 . 3.58 1722 1589 A 8 VAL HB A 52 PHE HE% 1.0 . 4.44 1723 1590 A 27 TYR HE% A 42 TRP HE3 1.0 . 5.04 1724 1591 A 27 TYR HE% A 42 TRP HZ3 1.0 . 4.66 1725 1592 A 27 TYR HE% A 39 LEU HDy% 1.0 . 4.09 1726 1593 A 16 ILE HG2% A 27 TYR HE% 1.0 . 4.41 1727 1594 A 1 MET HA A 1 MET HG2 1.0 . 3.67 1728 1594 A 1 MET HA A 1 MET HG3 1.0 . 3.67 1729 1595 A 2 LYS HA A 2 LYS HGx 1.0 . 3.65 1730 1595 A 2 LYS HA A 2 LYS HGy 1.0 . 3.65 1731 1596 A 2 LYS HBy A 2 LYS HD3 1.0 . 3.09 1732 1596 A 2 LYS HBx A 2 LYS HD3 1.0 . 3.09 1733 1596 A 2 LYS HD2 A 2 LYS HBx 1.0 . 3.09 1734 1596 A 2 LYS HBy A 2 LYS HD2 1.0 . 3.09 1735 1597 A 2 LYS HBy A 2 LYS HE3 1.0 . 3.84 1736 1597 A 2 LYS HBx A 2 LYS HE3 1.0 . 3.84 1737 1597 A 2 LYS HE2 A 2 LYS HBx 1.0 . 3.84 1738 1597 A 2 LYS HBy A 2 LYS HE2 1.0 . 3.84 1739 1598 A 2 LYS HBy A 6 LYS HGx 1.0 . 3.42 1740 1598 A 2 LYS HBx A 6 LYS HGx 1.0 . 3.42 1741 1598 A 6 LYS HGy A 2 LYS HBx 1.0 . 3.42 1742 1598 A 2 LYS HBy A 6 LYS HGy 1.0 . 3.42 1743 1599 A 2 LYS HE3 A 2 LYS HGx 1.0 . 3.31 1744 1599 A 2 LYS HE2 A 2 LYS HGx 1.0 . 3.31 1745 1599 A 2 LYS HGy A 2 LYS HE3 1.0 . 3.31 1746 1599 A 2 LYS HGy A 2 LYS HE2 1.0 . 3.31 1747 1600 A 7 ILE H A 2 LYS HGx 1.0 . 5.34 1748 1600 A 7 ILE H A 2 LYS HGy 1.0 . 5.34 1749 1601 A 4 ALA H A 3 ASN HBy 1.0 . 3.18 1750 1601 A 4 ALA H A 3 ASN HBx 1.0 . 3.18 1751 1602 A 4 ALA HB% A 3 ASN HBy 1.0 . 4.56 1752 1602 A 4 ALA HB% A 3 ASN HBx 1.0 . 4.56 1753 1603 A 5 ALA H A 3 ASN HBy 1.0 . 4.09 1754 1603 A 5 ALA H A 3 ASN HBx 1.0 . 4.09 1755 1604 A 5 ALA HB% A 3 ASN HBy 1.0 . 5.34 1756 1604 A 5 ALA HB% A 3 ASN HBx 1.0 . 5.34 1757 1605 A 6 LYS H A 3 ASN HBy 1.0 . 4.05 1758 1605 A 6 LYS H A 3 ASN HBx 1.0 . 4.05 1759 1606 A 7 ILE HD1% A 3 ASN HBy 1.0 . 5.34 1760 1606 A 7 ILE HD1% A 3 ASN HBx 1.0 . 5.34 1761 1607 A 3 ASN HD22 A 6 LYS HGx 1.0 . 4.61 1762 1607 A 3 ASN HD22 A 6 LYS HGy 1.0 . 4.61 1763 1608 A 4 ALA HA A 49 LEU HDy% 1.0 . 3.29 1764 1608 A 4 ALA HA A 49 LEU HDx% 1.0 . 3.29 1765 1609 A 4 ALA HB% A 48 GLU HBy 1.0 . 4.30 1766 1609 A 4 ALA HB% A 48 GLU HBx 1.0 . 4.30 1767 1610 A 4 ALA HB% A 49 LEU HDy% 1.0 . 2.84 1768 1610 A 4 ALA HB% A 49 LEU HDx% 1.0 . 2.84 1769 1611 A 5 ALA HB% A 6 LYS HGx 1.0 . 4.66 1770 1611 A 5 ALA HB% A 6 LYS HGy 1.0 . 4.66 1771 1612 A 5 ALA HB% A 49 LEU HDy% 1.0 . 5.44 1772 1612 A 5 ALA HB% A 49 LEU HDx% 1.0 . 5.44 1773 1613 A 5 ALA HB% A 56 LEU HDy% 1.0 . 5.44 1774 1613 A 5 ALA HB% A 56 LEU HDx% 1.0 . 5.44 1775 1614 A 6 LYS H A 6 LYS HGx 1.0 . 3.59 1776 1614 A 6 LYS H A 6 LYS HGy 1.0 . 3.59 1777 1615 A 6 LYS H A 49 LEU HDy% 1.0 . 5.29 1778 1615 A 6 LYS H A 49 LEU HDx% 1.0 . 5.29 1779 1616 A 6 LYS HE3 A 6 LYS HGx 1.0 . 3.42 1780 1616 A 6 LYS HE2 A 6 LYS HGx 1.0 . 3.42 1781 1616 A 6 LYS HGy A 6 LYS HE2 1.0 . 3.42 1782 1616 A 6 LYS HE3 A 6 LYS HGy 1.0 . 3.42 1783 1617 A 7 ILE H A 6 LYS HGx 1.0 . 5.34 1784 1617 A 7 ILE H A 6 LYS HGy 1.0 . 5.34 1785 1618 A 9 ASN HD21 A 6 LYS HGx 1.0 . 4.74 1786 1618 A 9 ASN HD21 A 6 LYS HGy 1.0 . 4.74 1787 1619 A 7 ILE H A 49 LEU HDy% 1.0 . 3.85 1788 1619 A 7 ILE H A 49 LEU HDx% 1.0 . 3.85 1789 1620 A 7 ILE HA A 10 GLU HB3 1.0 . 3.85 1790 1620 A 7 ILE HA A 10 GLU HB2 1.0 . 3.85 1791 1621 A 7 ILE HB A 49 LEU HDy% 1.0 . 3.22 1792 1621 A 7 ILE HB A 49 LEU HDx% 1.0 . 3.22 1793 1622 A 7 ILE HG2% A 49 LEU HDy% 1.0 . 3.08 1794 1622 A 7 ILE HG2% A 49 LEU HDx% 1.0 . 3.08 1795 1623 A 7 ILE HG1y A 49 LEU HDy% 1.0 . 3.84 1796 1623 A 7 ILE HG1y A 49 LEU HDx% 1.0 . 3.84 1797 1624 A 7 ILE HD1% A 49 LEU HDy% 1.0 . 3.00 1798 1624 A 7 ILE HD1% A 49 LEU HDx% 1.0 . 3.00 1799 1625 A 8 VAL H A 49 LEU HDy% 1.0 . 3.67 1800 1625 A 8 VAL H A 49 LEU HDx% 1.0 . 3.67 1801 1626 A 8 VAL HA A 49 LEU HDy% 1.0 . 4.17 1802 1626 A 8 VAL HA A 49 LEU HDx% 1.0 . 4.17 1803 1627 A 8 VAL HB A 49 LEU HDy% 1.0 . 4.24 1804 1627 A 8 VAL HB A 49 LEU HDx% 1.0 . 4.24 1805 1628 A 8 VAL HGx% A 56 LEU HDy% 1.0 . 3.93 1806 1628 A 8 VAL HGx% A 56 LEU HDx% 1.0 . 3.93 1807 1629 A 8 VAL HGy% A 49 LEU HDy% 1.0 . 2.96 1808 1629 A 8 VAL HGy% A 49 LEU HDx% 1.0 . 2.96 1809 1630 A 9 ASN H A 10 GLU HB3 1.0 . 4.84 1810 1630 A 9 ASN H A 10 GLU HB2 1.0 . 4.84 1811 1631 A 9 ASN H A 49 LEU HDy% 1.0 . 5.44 1812 1631 A 9 ASN H A 49 LEU HDx% 1.0 . 5.44 1813 1632 A 10 GLU H A 10 GLU HB3 1.0 . 2.97 1814 1632 A 10 GLU H A 10 GLU HB2 1.0 . 2.97 1815 1633 A 10 GLU HA A 13 ASN HB3 1.0 . 3.21 1816 1633 A 10 GLU HA A 13 ASN HB2 1.0 . 3.21 1817 1634 A 10 GLU HA A 13 ASN HD21 1.0 . 3.84 1818 1634 A 10 GLU HA A 13 ASN HD22 1.0 . 3.84 1819 1635 A 11 ALA H A 10 GLU HB3 1.0 . 3.40 1820 1635 A 11 ALA H A 10 GLU HB2 1.0 . 3.40 1821 1636 A 12 LEU H A 10 GLU HB3 1.0 . 5.34 1822 1636 A 12 LEU H A 10 GLU HB2 1.0 . 5.34 1823 1637 A 14 GLN HE22 A 10 GLU HB3 1.0 . 4.78 1824 1637 A 14 GLN HE22 A 10 GLU HB2 1.0 . 4.78 1825 1638 A 10 GLU HG2 A 13 ASN HB3 1.0 . 4.35 1826 1638 A 10 GLU HG3 A 13 ASN HB3 1.0 . 4.35 1827 1638 A 13 ASN HB2 A 10 GLU HG2 1.0 . 4.35 1828 1638 A 10 GLU HG3 A 13 ASN HB2 1.0 . 4.35 1829 1639 A 11 ALA H A 13 ASN HB3 1.0 . 5.13 1830 1639 A 11 ALA H A 13 ASN HB2 1.0 . 5.13 1831 1640 A 12 LEU H A 13 ASN HB3 1.0 . 4.81 1832 1640 A 12 LEU H A 13 ASN HB2 1.0 . 4.81 1833 1641 A 13 ASN H A 13 ASN HB3 1.0 . 2.71 1834 1641 A 13 ASN H A 13 ASN HB2 1.0 . 2.71 1835 1642 A 13 ASN H A 13 ASN HD21 1.0 . 3.89 1836 1642 A 13 ASN H A 13 ASN HD22 1.0 . 3.89 1837 1643 A 14 GLN H A 13 ASN HB3 1.0 . 3.36 1838 1643 A 14 GLN H A 13 ASN HB2 1.0 . 3.36 1839 1644 A 14 GLN HE22 A 13 ASN HB3 1.0 . 3.49 1840 1644 A 14 GLN HE22 A 13 ASN HB2 1.0 . 3.49 1841 1645 A 16 ILE HG12 A 31 ARG HDy 1.0 . 4.28 1842 1645 A 16 ILE HG13 A 31 ARG HDy 1.0 . 4.28 1843 1645 A 31 ARG HDx A 16 ILE HG12 1.0 . 4.28 1844 1645 A 16 ILE HG13 A 31 ARG HDx 1.0 . 4.28 1845 1646 A 16 ILE HD1% A 31 ARG HDy 1.0 . 3.98 1846 1646 A 16 ILE HD1% A 31 ARG HDx 1.0 . 3.98 1847 1647 A 17 THR HB A 28 LYS HDy 1.0 . 5.34 1848 1647 A 17 THR HB A 28 LYS HDx 1.0 . 5.34 1849 1648 A 17 THR HB A 28 LYS HEy 1.0 . 4.39 1850 1648 A 17 THR HB A 28 LYS HEx 1.0 . 4.39 1851 1649 A 17 THR HG2% A 28 LYS HEy 1.0 . 3.98 1852 1649 A 17 THR HG2% A 28 LYS HEx 1.0 . 3.98 1853 1650 A 18 LEU H A 25 LEU HDy% 1.0 . 5.44 1854 1650 A 18 LEU H A 25 LEU HDx% 1.0 . 5.44 1855 1651 A 18 LEU HBx A 25 LEU HDy% 1.0 . 4.48 1856 1651 A 18 LEU HBx A 25 LEU HDx% 1.0 . 4.48 1857 1652 A 18 LEU HBx A 49 LEU HDy% 1.0 . 4.85 1858 1652 A 18 LEU HBx A 49 LEU HDx% 1.0 . 4.85 1859 1653 A 18 LEU HBy A 20 VAL HGy% 1.0 . 5.44 1860 1653 A 18 LEU HBy A 20 VAL HGx% 1.0 . 5.44 1861 1654 A 18 LEU HBy A 25 LEU HDy% 1.0 . 3.57 1862 1654 A 18 LEU HBy A 25 LEU HDx% 1.0 . 3.57 1863 1655 A 18 LEU HBy A 49 LEU HDy% 1.0 . 4.73 1864 1655 A 18 LEU HBy A 49 LEU HDx% 1.0 . 4.73 1865 1656 A 18 LEU HDx% A 25 LEU HDy% 1.0 . 3.75 1866 1656 A 18 LEU HDx% A 25 LEU HDx% 1.0 . 3.75 1867 1657 A 18 LEU HDx% A 49 LEU HDy% 1.0 . 3.16 1868 1657 A 18 LEU HDx% A 49 LEU HDx% 1.0 . 3.16 1869 1658 A 18 LEU HDy% A 25 LEU HDy% 1.0 . 3.10 1870 1658 A 18 LEU HDy% A 25 LEU HDx% 1.0 . 3.10 1871 1659 A 18 LEU HDy% A 49 LEU HDy% 1.0 . 4.37 1872 1659 A 18 LEU HDy% A 49 LEU HDx% 1.0 . 4.37 1873 1660 A 19 PHE H A 25 LEU HDy% 1.0 . 3.63 1874 1660 A 19 PHE H A 25 LEU HDx% 1.0 . 3.63 1875 1661 A 19 PHE HA A 20 VAL HGy% 1.0 . 4.62 1876 1661 A 19 PHE HA A 20 VAL HGx% 1.0 . 4.62 1877 1662 A 19 PHE HB2 A 20 VAL HGy% 1.0 . 4.72 1878 1662 A 19 PHE HB2 A 20 VAL HGx% 1.0 . 4.72 1879 1663 A 19 PHE HB3 A 20 VAL HGy% 1.0 . 5.44 1880 1663 A 19 PHE HB3 A 20 VAL HGx% 1.0 . 5.44 1881 1664 A 19 PHE HD% A 28 LYS HEy 1.0 . 4.41 1882 1664 A 19 PHE HD% A 28 LYS HEx 1.0 . 4.41 1883 1665 A 19 PHE HE% A 28 LYS HDy 1.0 . 4.79 1884 1665 A 19 PHE HE% A 28 LYS HDx 1.0 . 4.79 1885 1666 A 19 PHE HE% A 28 LYS HEy 1.0 . 5.34 1886 1666 A 19 PHE HE% A 28 LYS HEx 1.0 . 5.34 1887 1667 A 20 VAL H A 20 VAL HGy% 1.0 . 3.14 1888 1667 A 20 VAL H A 20 VAL HGx% 1.0 . 3.14 1889 1668 A 20 VAL H A 25 LEU HDy% 1.0 . 5.10 1890 1668 A 20 VAL H A 25 LEU HDx% 1.0 . 5.10 1891 1669 A 20 VAL HA A 25 LEU HDy% 1.0 . 4.26 1892 1669 A 20 VAL HA A 25 LEU HDx% 1.0 . 4.26 1893 1670 A 21 SER H A 20 VAL HGy% 1.0 . 2.99 1894 1670 A 21 SER H A 20 VAL HGx% 1.0 . 2.99 1895 1671 A 21 SER HA A 20 VAL HGy% 1.0 . 4.27 1896 1671 A 21 SER HA A 20 VAL HGx% 1.0 . 4.27 1897 1672 A 21 SER HBy A 20 VAL HGy% 1.0 . 5.44 1898 1672 A 21 SER HBy A 20 VAL HGx% 1.0 . 5.44 1899 1673 A 22 ASP H A 20 VAL HGy% 1.0 . 5.17 1900 1673 A 22 ASP H A 20 VAL HGx% 1.0 . 5.17 1901 1674 A 22 ASP HA A 20 VAL HGy% 1.0 . 5.07 1902 1674 A 22 ASP HA A 20 VAL HGx% 1.0 . 5.07 1903 1675 A 23 ASN H A 20 VAL HGy% 1.0 . 3.17 1904 1675 A 23 ASN H A 20 VAL HGx% 1.0 . 3.17 1905 1676 A 23 ASN HA A 20 VAL HGy% 1.0 . 3.23 1906 1676 A 23 ASN HA A 20 VAL HGx% 1.0 . 3.23 1907 1677 A 23 ASN HBy A 20 VAL HGy% 1.0 . 4.73 1908 1677 A 23 ASN HBy A 20 VAL HGx% 1.0 . 4.73 1909 1678 A 23 ASN HBx A 20 VAL HGy% 1.0 . 4.78 1910 1678 A 23 ASN HBx A 20 VAL HGx% 1.0 . 4.78 1911 1679 A 23 ASN HD21 A 20 VAL HGy% 1.0 . 4.96 1912 1679 A 23 ASN HD21 A 20 VAL HGx% 1.0 . 4.96 1913 1680 A 24 LYS H A 20 VAL HGy% 1.0 . 3.12 1914 1680 A 24 LYS H A 20 VAL HGx% 1.0 . 3.12 1915 1681 A 20 VAL HGy% A 24 LYS HG2 1.0 . 5.37 1916 1681 A 20 VAL HGx% A 24 LYS HG2 1.0 . 5.37 1917 1681 A 24 LYS HG3 A 20 VAL HGy% 1.0 . 5.37 1918 1681 A 24 LYS HG3 A 20 VAL HGx% 1.0 . 5.37 1919 1682 A 25 LEU H A 20 VAL HGy% 1.0 . 4.17 1920 1682 A 25 LEU H A 20 VAL HGx% 1.0 . 4.17 1921 1683 A 25 LEU HA A 20 VAL HGy% 1.0 . 3.46 1922 1683 A 25 LEU HA A 20 VAL HGx% 1.0 . 3.46 1923 1684 A 25 LEU HBy A 20 VAL HGy% 1.0 . 4.18 1924 1684 A 25 LEU HBy A 20 VAL HGx% 1.0 . 4.18 1925 1685 A 20 VAL HGy% A 25 LEU HDy% 1.0 . 3.55 1926 1685 A 20 VAL HGx% A 25 LEU HDy% 1.0 . 3.55 1927 1685 A 25 LEU HDx% A 20 VAL HGy% 1.0 . 3.55 1928 1685 A 25 LEU HDx% A 20 VAL HGx% 1.0 . 3.55 1929 1686 A 26 LYS H A 20 VAL HGy% 1.0 . 3.83 1930 1686 A 26 LYS H A 20 VAL HGx% 1.0 . 3.83 1931 1687 A 49 LEU HBx A 20 VAL HGy% 1.0 . 4.69 1932 1687 A 49 LEU HBx A 20 VAL HGx% 1.0 . 4.69 1933 1688 A 50 ILE HA A 20 VAL HGy% 1.0 . 2.95 1934 1688 A 50 ILE HA A 20 VAL HGx% 1.0 . 2.95 1935 1689 A 50 ILE HB A 20 VAL HGy% 1.0 . 4.36 1936 1689 A 50 ILE HB A 20 VAL HGx% 1.0 . 4.36 1937 1690 A 50 ILE HG2% A 20 VAL HGy% 1.0 . 2.76 1938 1690 A 50 ILE HG2% A 20 VAL HGx% 1.0 . 2.76 1939 1691 A 50 ILE HG13 A 20 VAL HGy% 1.0 . 3.97 1940 1691 A 50 ILE HG13 A 20 VAL HGx% 1.0 . 3.97 1941 1692 A 53 LEU H A 20 VAL HGy% 1.0 . 3.76 1942 1692 A 53 LEU H A 20 VAL HGx% 1.0 . 3.76 1943 1693 A 53 LEU HA A 20 VAL HGy% 1.0 . 4.14 1944 1693 A 53 LEU HA A 20 VAL HGx% 1.0 . 4.14 1945 1694 A 53 LEU HBy A 20 VAL HGy% 1.0 . 3.32 1946 1694 A 53 LEU HBy A 20 VAL HGx% 1.0 . 3.32 1947 1695 A 53 LEU HBx A 20 VAL HGy% 1.0 . 3.59 1948 1695 A 53 LEU HBx A 20 VAL HGx% 1.0 . 3.59 1949 1696 A 53 LEU HDx% A 20 VAL HGy% 1.0 . 3.39 1950 1696 A 53 LEU HDx% A 20 VAL HGx% 1.0 . 3.39 1951 1697 A 53 LEU HDy% A 20 VAL HGy% 1.0 . 3.62 1952 1697 A 53 LEU HDy% A 20 VAL HGx% 1.0 . 3.62 1953 1698 A 54 THR H A 20 VAL HGy% 1.0 . 3.75 1954 1698 A 54 THR H A 20 VAL HGx% 1.0 . 3.75 1955 1699 A 54 THR HA A 20 VAL HGy% 1.0 . 3.79 1956 1699 A 54 THR HA A 20 VAL HGx% 1.0 . 3.79 1957 1700 A 54 THR HB A 20 VAL HGy% 1.0 . 3.98 1958 1700 A 54 THR HB A 20 VAL HGx% 1.0 . 3.98 1959 1701 A 54 THR HG2% A 20 VAL HGy% 1.0 . 3.58 1960 1701 A 54 THR HG2% A 20 VAL HGx% 1.0 . 3.58 1961 1702 A 21 SER H A 25 LEU HDy% 1.0 . 5.44 1962 1702 A 21 SER H A 25 LEU HDx% 1.0 . 5.44 1963 1703 A 21 SER HBy A 26 LYS HEy 1.0 . 4.85 1964 1703 A 21 SER HBy A 26 LYS HEx 1.0 . 4.85 1965 1704 A 21 SER HBx A 26 LYS HEy 1.0 . 4.32 1966 1704 A 21 SER HBx A 26 LYS HEx 1.0 . 4.32 1967 1705 A 23 ASN H A 22 ASP HBy 1.0 . 3.90 1968 1705 A 23 ASN H A 22 ASP HBx 1.0 . 3.90 1969 1706 A 24 LYS H A 22 ASP HBy 1.0 . 4.37 1970 1706 A 24 LYS H A 22 ASP HBx 1.0 . 4.37 1971 1707 A 24 LYS HB2 A 22 ASP HBy 1.0 . 4.59 1972 1707 A 24 LYS HB2 A 22 ASP HBx 1.0 . 4.59 1973 1708 A 24 LYS HB3 A 22 ASP HBy 1.0 . 4.76 1974 1708 A 24 LYS HB3 A 22 ASP HBx 1.0 . 4.76 1975 1709 A 24 LYS H A 24 LYS HD3 1.0 . 4.76 1976 1709 A 24 LYS H A 24 LYS HD2 1.0 . 4.76 1977 1710 A 24 LYS HA A 24 LYS HD3 1.0 . 3.47 1978 1710 A 24 LYS HA A 24 LYS HD2 1.0 . 3.47 1979 1711 A 24 LYS HB2 A 24 LYS HD3 1.0 . 3.56 1980 1711 A 24 LYS HB2 A 24 LYS HD2 1.0 . 3.56 1981 1712 A 24 LYS HB3 A 26 LYS HEy 1.0 . 4.26 1982 1712 A 24 LYS HB3 A 26 LYS HEx 1.0 . 4.26 1983 1713 A 24 LYS HG2 A 26 LYS HEy 1.0 . 5.34 1984 1713 A 24 LYS HG3 A 26 LYS HEy 1.0 . 5.34 1985 1713 A 26 LYS HEx A 24 LYS HG2 1.0 . 5.34 1986 1713 A 24 LYS HG3 A 26 LYS HEx 1.0 . 5.34 1987 1714 A 25 LEU HBy A 24 LYS HD3 1.0 . 4.64 1988 1714 A 25 LEU HBy A 24 LYS HD2 1.0 . 4.64 1989 1715 A 46 LYS HBy A 24 LYS HD3 1.0 . 4.57 1990 1715 A 46 LYS HBy A 24 LYS HD2 1.0 . 4.57 1991 1716 A 50 ILE HD1% A 24 LYS HD3 1.0 . 4.31 1992 1716 A 50 ILE HD1% A 24 LYS HD2 1.0 . 4.31 1993 1717 A 25 LEU HA A 25 LEU HDy% 1.0 . 3.09 1994 1717 A 25 LEU HA A 25 LEU HDx% 1.0 . 3.09 1995 1718 A 26 LYS H A 25 LEU HDy% 1.0 . 3.16 1996 1718 A 26 LYS H A 25 LEU HDx% 1.0 . 3.16 1997 1719 A 26 LYS HA A 25 LEU HDy% 1.0 . 4.42 1998 1719 A 26 LYS HA A 25 LEU HDx% 1.0 . 4.42 1999 1720 A 27 TYR H A 25 LEU HDy% 1.0 . 4.87 2000 1720 A 27 TYR H A 25 LEU HDx% 1.0 . 4.87 2001 1721 A 27 TYR HA A 25 LEU HDy% 1.0 . 4.99 2002 1721 A 27 TYR HA A 25 LEU HDx% 1.0 . 4.99 2003 1722 A 42 TRP H A 25 LEU HDy% 1.0 . 4.76 2004 1722 A 42 TRP H A 25 LEU HDx% 1.0 . 4.76 2005 1723 A 42 TRP HBy A 25 LEU HDy% 1.0 . 4.27 2006 1723 A 42 TRP HBy A 25 LEU HDx% 1.0 . 4.27 2007 1724 A 42 TRP HBx A 25 LEU HDy% 1.0 . 4.12 2008 1724 A 42 TRP HBx A 25 LEU HDx% 1.0 . 4.12 2009 1725 A 43 LYS H A 25 LEU HDy% 1.0 . 4.37 2010 1725 A 43 LYS H A 25 LEU HDx% 1.0 . 4.37 2011 1726 A 44 GLN H A 25 LEU HDy% 1.0 . 5.44 2012 1726 A 44 GLN H A 25 LEU HDx% 1.0 . 5.44 2013 1727 A 46 LYS H A 25 LEU HDy% 1.0 . 4.93 2014 1727 A 46 LYS H A 25 LEU HDx% 1.0 . 4.93 2015 1728 A 46 LYS HA A 25 LEU HDy% 1.0 . 3.26 2016 1728 A 46 LYS HA A 25 LEU HDx% 1.0 . 3.26 2017 1729 A 46 LYS HBx A 25 LEU HDy% 1.0 . 4.35 2018 1729 A 46 LYS HBx A 25 LEU HDx% 1.0 . 4.35 2019 1730 A 49 LEU H A 25 LEU HDy% 1.0 . 4.92 2020 1730 A 49 LEU H A 25 LEU HDx% 1.0 . 4.92 2021 1731 A 49 LEU HA A 25 LEU HDy% 1.0 . 4.89 2022 1731 A 49 LEU HA A 25 LEU HDx% 1.0 . 4.89 2023 1732 A 49 LEU HBy A 25 LEU HDy% 1.0 . 4.11 2024 1732 A 49 LEU HBy A 25 LEU HDx% 1.0 . 4.11 2025 1733 A 49 LEU HBx A 25 LEU HDy% 1.0 . 3.96 2026 1733 A 49 LEU HBx A 25 LEU HDx% 1.0 . 3.96 2027 1734 A 25 LEU HDx% A 49 LEU HDy% 1.0 . 4.30 2028 1734 A 25 LEU HDy% A 49 LEU HDy% 1.0 . 4.30 2029 1734 A 49 LEU HDx% A 25 LEU HDy% 1.0 . 4.30 2030 1734 A 49 LEU HDx% A 25 LEU HDx% 1.0 . 4.30 2031 1735 A 50 ILE H A 25 LEU HDy% 1.0 . 5.43 2032 1735 A 50 ILE H A 25 LEU HDx% 1.0 . 5.43 2033 1736 A 50 ILE HA A 25 LEU HDy% 1.0 . 4.17 2034 1736 A 50 ILE HA A 25 LEU HDx% 1.0 . 4.17 2035 1737 A 53 LEU HDx% A 25 LEU HDy% 1.0 . 3.14 2036 1737 A 53 LEU HDx% A 25 LEU HDx% 1.0 . 3.14 2037 1738 A 26 LYS HBx A 26 LYS HEy 1.0 . 4.67 2038 1738 A 26 LYS HBx A 26 LYS HEx 1.0 . 4.67 2039 1739 A 26 LYS HBy A 26 LYS HEy 1.0 . 4.83 2040 1739 A 26 LYS HBy A 26 LYS HEx 1.0 . 4.83 2041 1740 A 26 LYS HG2 A 26 LYS HEy 1.0 . 3.57 2042 1740 A 26 LYS HG2 A 26 LYS HEx 1.0 . 3.57 2043 1741 A 28 LYS HA A 28 LYS HDy 1.0 . 4.86 2044 1741 A 28 LYS HA A 28 LYS HDx 1.0 . 4.86 2045 1742 A 28 LYS HB3 A 28 LYS HEy 1.0 . 4.65 2046 1742 A 28 LYS HB2 A 28 LYS HEy 1.0 . 4.65 2047 1742 A 28 LYS HEx A 28 LYS HB2 1.0 . 4.65 2048 1742 A 28 LYS HB3 A 28 LYS HEx 1.0 . 4.65 2049 1743 A 28 LYS HEx A 28 LYS HG2 1.0 . 3.55 2050 1743 A 28 LYS HEy A 28 LYS HG2 1.0 . 3.55 2051 1743 A 28 LYS HG3 A 28 LYS HEy 1.0 . 3.55 2052 1743 A 28 LYS HG3 A 28 LYS HEx 1.0 . 3.55 2053 1744 A 29 THR H A 28 LYS HDy 1.0 . 4.64 2054 1744 A 29 THR H A 28 LYS HDx 1.0 . 4.64 2055 1745 A 29 THR HG2% A 28 LYS HDy 1.0 . 5.34 2056 1745 A 29 THR HG2% A 28 LYS HDx 1.0 . 5.34 2057 1746 A 30 ASN HA A 30 ASN HD22 1.0 . 4.35 2058 1746 A 30 ASN HA A 30 ASN HD21 1.0 . 4.35 2059 1747 A 31 ARG H A 31 ARG HBy 1.0 . 2.94 2060 1747 A 31 ARG H A 31 ARG HBx 1.0 . 2.94 2061 1748 A 31 ARG H A 31 ARG HDy 1.0 . 3.62 2062 1748 A 31 ARG H A 31 ARG HDx 1.0 . 3.62 2063 1749 A 31 ARG HBx A 31 ARG HDy 1.0 . 3.26 2064 1749 A 31 ARG HDx A 31 ARG HBy 1.0 . 3.26 2065 1749 A 31 ARG HDx A 31 ARG HBx 1.0 . 3.26 2066 1749 A 31 ARG HBy A 31 ARG HDy 1.0 . 3.26 2067 1750 A 32 ASP H A 31 ARG HBy 1.0 . 3.59 2068 1750 A 32 ASP H A 31 ARG HBx 1.0 . 3.59 2069 1751 A 32 ASP HA A 31 ARG HBy 1.0 . 4.84 2070 1751 A 32 ASP HA A 31 ARG HBx 1.0 . 4.84 2071 1752 A 33 SER H A 31 ARG HBy 1.0 . 3.14 2072 1752 A 33 SER H A 31 ARG HBx 1.0 . 3.14 2073 1753 A 33 SER H A 31 ARG HDy 1.0 . 5.08 2074 1753 A 33 SER H A 31 ARG HDx 1.0 . 5.08 2075 1754 A 37 GLU H A 37 GLU HG3 1.0 . 3.22 2076 1754 A 37 GLU H A 37 GLU HG2 1.0 . 3.22 2077 1755 A 37 GLU HA A 37 GLU HG3 1.0 . 3.69 2078 1755 A 37 GLU HA A 37 GLU HG2 1.0 . 3.69 2079 1756 A 37 GLU HA A 40 GLU HG3 1.0 . 4.21 2080 1756 A 37 GLU HA A 40 GLU HG2 1.0 . 4.21 2081 1757 A 38 LEU H A 37 GLU HG3 1.0 . 3.61 2082 1757 A 38 LEU H A 37 GLU HG2 1.0 . 3.61 2083 1758 A 38 LEU HA A 37 GLU HG3 1.0 . 4.52 2084 1758 A 38 LEU HA A 37 GLU HG2 1.0 . 4.52 2085 1759 A 39 LEU H A 37 GLU HG3 1.0 . 5.34 2086 1759 A 39 LEU H A 37 GLU HG2 1.0 . 5.34 2087 1760 A 40 GLU H A 40 GLU HG3 1.0 . 3.50 2088 1760 A 40 GLU H A 40 GLU HG2 1.0 . 3.50 2089 1761 A 40 GLU HA A 40 GLU HG3 1.0 . 3.07 2090 1761 A 40 GLU HA A 40 GLU HG2 1.0 . 3.07 2091 1762 A 41 GLU HA A 44 GLN HE21 1.0 . 4.68 2092 1762 A 41 GLU HA A 44 GLN HE22 1.0 . 4.68 2093 1763 A 42 TRP H A 49 LEU HDy% 1.0 . 4.45 2094 1763 A 42 TRP H A 49 LEU HDx% 1.0 . 4.45 2095 1764 A 42 TRP HA A 49 LEU HDy% 1.0 . 3.27 2096 1764 A 42 TRP HA A 49 LEU HDx% 1.0 . 3.27 2097 1765 A 42 TRP HBy A 49 LEU HDy% 1.0 . 4.82 2098 1765 A 42 TRP HBy A 49 LEU HDx% 1.0 . 4.82 2099 1766 A 42 TRP HBx A 49 LEU HDy% 1.0 . 4.21 2100 1766 A 42 TRP HBx A 49 LEU HDx% 1.0 . 4.21 2101 1767 A 42 TRP HD1 A 49 LEU HDy% 1.0 . 3.06 2102 1767 A 42 TRP HD1 A 49 LEU HDx% 1.0 . 3.06 2103 1768 A 42 TRP HE1 A 49 LEU HDy% 1.0 . 4.67 2104 1768 A 42 TRP HE1 A 49 LEU HDx% 1.0 . 4.67 2105 1769 A 43 LYS H A 43 LYS HGx 1.0 . 4.37 2106 1769 A 43 LYS H A 43 LYS HGy 1.0 . 4.37 2107 1770 A 43 LYS H A 49 LEU HDy% 1.0 . 5.05 2108 1770 A 43 LYS H A 49 LEU HDx% 1.0 . 5.05 2109 1771 A 43 LYS HA A 43 LYS HGx 1.0 . 3.50 2110 1771 A 43 LYS HA A 43 LYS HGy 1.0 . 3.50 2111 1772 A 43 LYS HA A 43 LYS HDy 1.0 . 4.57 2112 1772 A 43 LYS HA A 43 LYS HD2 1.0 . 4.57 2113 1773 A 43 LYS HB3 A 43 LYS HDy 1.0 . 3.33 2114 1773 A 43 LYS HB3 A 43 LYS HD2 1.0 . 3.33 2115 1774 A 43 LYS HB3 A 43 LYS HE3 1.0 . 4.66 2116 1774 A 43 LYS HB3 A 43 LYS HE2 1.0 . 4.66 2117 1775 A 43 LYS HE2 A 43 LYS HGx 1.0 . 3.33 2118 1775 A 43 LYS HE3 A 43 LYS HGx 1.0 . 3.33 2119 1775 A 43 LYS HGy A 43 LYS HE3 1.0 . 3.33 2120 1775 A 43 LYS HGy A 43 LYS HE2 1.0 . 3.33 2121 1776 A 44 GLN H A 43 LYS HGx 1.0 . 4.56 2122 1776 A 44 GLN H A 43 LYS HGy 1.0 . 4.56 2123 1777 A 43 LYS HGy A 46 LYS HGx 1.0 . 3.33 2124 1777 A 43 LYS HGx A 46 LYS HGx 1.0 . 3.33 2125 1777 A 46 LYS HGy A 43 LYS HGx 1.0 . 3.33 2126 1777 A 46 LYS HGy A 43 LYS HGy 1.0 . 3.33 2127 1778 A 44 GLN HGx A 44 GLN HE21 1.0 . 3.53 2128 1778 A 44 GLN HGx A 44 GLN HE22 1.0 . 3.53 2129 1779 A 45 HIS H A 49 LEU HDy% 1.0 . 3.92 2130 1779 A 45 HIS H A 49 LEU HDx% 1.0 . 3.92 2131 1780 A 45 HIS HA A 48 GLU HBy 1.0 . 5.00 2132 1780 A 45 HIS HA A 48 GLU HBx 1.0 . 5.00 2133 1781 A 45 HIS HBy A 49 LEU HDy% 1.0 . 4.07 2134 1781 A 45 HIS HBy A 49 LEU HDx% 1.0 . 4.07 2135 1782 A 45 HIS HBx A 48 GLU HBy 1.0 . 4.66 2136 1782 A 45 HIS HBx A 48 GLU HBx 1.0 . 4.66 2137 1783 A 45 HIS HBx A 49 LEU HDy% 1.0 . 3.95 2138 1783 A 45 HIS HBx A 49 LEU HDx% 1.0 . 3.95 2139 1784 A 46 LYS H A 46 LYS HDy 1.0 . 4.60 2140 1784 A 46 LYS H A 46 LYS HDx 1.0 . 4.60 2141 1785 A 46 LYS H A 49 LEU HDy% 1.0 . 4.17 2142 1785 A 46 LYS H A 49 LEU HDx% 1.0 . 4.17 2143 1786 A 46 LYS HA A 46 LYS HDy 1.0 . 4.39 2144 1786 A 46 LYS HA A 46 LYS HDx 1.0 . 4.39 2145 1787 A 46 LYS HA A 49 LEU HDy% 1.0 . 3.64 2146 1787 A 46 LYS HA A 49 LEU HDx% 1.0 . 3.64 2147 1788 A 46 LYS HBy A 46 LYS HDy 1.0 . 3.62 2148 1788 A 46 LYS HBy A 46 LYS HDx 1.0 . 3.62 2149 1789 A 46 LYS HBx A 46 LYS HDy 1.0 . 3.45 2150 1789 A 46 LYS HBx A 46 LYS HDx 1.0 . 3.45 2151 1790 A 47 GLN H A 46 LYS HDy 1.0 . 3.77 2152 1790 A 47 GLN H A 46 LYS HDx 1.0 . 3.77 2153 1791 A 47 GLN HA A 46 LYS HDy 1.0 . 3.97 2154 1791 A 47 GLN HA A 46 LYS HDx 1.0 . 3.97 2155 1792 A 50 ILE HD1% A 46 LYS HDy 1.0 . 3.68 2156 1792 A 50 ILE HD1% A 46 LYS HDx 1.0 . 3.68 2157 1793 A 50 ILE HD1% A 46 LYS HE3 1.0 . 5.34 2158 1793 A 50 ILE HD1% A 46 LYS HE2 1.0 . 5.34 2159 1794 A 47 GLN H A 49 LEU HDy% 1.0 . 4.85 2160 1794 A 47 GLN H A 49 LEU HDx% 1.0 . 4.85 2161 1795 A 48 GLU H A 48 GLU HBy 1.0 . 3.02 2162 1795 A 48 GLU H A 48 GLU HBx 1.0 . 3.02 2163 1796 A 49 LEU H A 49 LEU HDy% 1.0 . 3.44 2164 1796 A 49 LEU H A 49 LEU HDx% 1.0 . 3.44 2165 1797 A 49 LEU HA A 49 LEU HDy% 1.0 . 2.99 2166 1797 A 49 LEU HA A 49 LEU HDx% 1.0 . 2.99 2167 1798 A 50 ILE H A 49 LEU HDy% 1.0 . 4.84 2168 1798 A 50 ILE H A 49 LEU HDx% 1.0 . 4.84 2169 1799 A 52 PHE HBy A 49 LEU HDy% 1.0 . 5.20 2170 1799 A 52 PHE HBy A 49 LEU HDx% 1.0 . 5.20 2171 1800 A 52 PHE HBx A 49 LEU HDy% 1.0 . 4.40 2172 1800 A 52 PHE HBx A 49 LEU HDx% 1.0 . 4.40 2173 1801 A 53 LEU H A 49 LEU HDy% 1.0 . 5.02 2174 1801 A 53 LEU H A 49 LEU HDx% 1.0 . 5.02 2175 1802 A 53 LEU HDx% A 49 LEU HDy% 1.0 . 3.67 2176 1802 A 53 LEU HDx% A 49 LEU HDx% 1.0 . 3.67 2177 1803 A 52 PHE HE% A 56 LEU HDy% 1.0 . 4.31 2178 1803 A 52 PHE HE% A 56 LEU HDx% 1.0 . 4.31 2179 1804 A 53 LEU H A 56 LEU HDy% 1.0 . 5.28 2180 1804 A 53 LEU H A 56 LEU HDx% 1.0 . 5.28 2181 1805 A 53 LEU HA A 56 LEU HDy% 1.0 . 3.37 2182 1805 A 53 LEU HA A 56 LEU HDx% 1.0 . 3.37 2183 1806 A 53 LEU HDy% A 56 LEU HDy% 1.0 . 3.36 2184 1806 A 53 LEU HDy% A 56 LEU HDx% 1.0 . 3.36 2185 1807 A 54 THR H A 56 LEU HDy% 1.0 . 5.44 2186 1807 A 54 THR H A 56 LEU HDx% 1.0 . 5.44 2187 1808 A 54 THR HA A 57 GLU HBy 1.0 . 3.95 2188 1808 A 54 THR HA A 57 GLU HBx 1.0 . 3.95 2189 1809 A 54 THR HB A 57 GLU HBy 1.0 . 5.34 2190 1809 A 54 THR HB A 57 GLU HBx 1.0 . 5.34 2191 1810 A 55 GLN H A 56 LEU HDy% 1.0 . 5.15 2192 1810 A 55 GLN H A 56 LEU HDx% 1.0 . 5.15 2193 1811 A 55 GLN HE21 A 56 LEU HDy% 1.0 . 4.85 2194 1811 A 55 GLN HE21 A 56 LEU HDx% 1.0 . 4.85 2195 1812 A 56 LEU H A 56 LEU HDy% 1.0 . 3.51 2196 1812 A 56 LEU H A 56 LEU HDx% 1.0 . 3.51 2197 1813 A 56 LEU HA A 56 LEU HDy% 1.0 . 3.17 2198 1813 A 56 LEU HA A 56 LEU HDx% 1.0 . 3.17 2199 1814 A 56 LEU HA A 59 GLU HBx 1.0 . 3.84 2200 1814 A 56 LEU HA A 59 GLU HBy 1.0 . 3.84 2201 1815 A 57 GLU H A 56 LEU HDy% 1.0 . 4.82 2202 1815 A 57 GLU H A 56 LEU HDx% 1.0 . 4.82 2203 1816 A 58 SER H A 56 LEU HDy% 1.0 . 5.44 2204 1816 A 58 SER H A 56 LEU HDx% 1.0 . 5.44 2205 1817 A 57 GLU H A 57 GLU HBy 1.0 . 2.78 2206 1817 A 57 GLU H A 57 GLU HBx 1.0 . 2.78 2207 1818 A 57 GLU H A 57 GLU HGy 1.0 . 4.42 2208 1818 A 57 GLU H A 57 GLU HGx 1.0 . 4.42 2209 1819 A 57 GLU HA A 57 GLU HGy 1.0 . 3.18 2210 1819 A 57 GLU HA A 57 GLU HGx 1.0 . 3.18 2211 1820 A 58 SER H A 57 GLU HBy 1.0 . 3.40 2212 1820 A 58 SER H A 57 GLU HBx 1.0 . 3.40 2213 1821 A 58 SER H A 57 GLU HGy 1.0 . 4.89 2214 1821 A 58 SER H A 57 GLU HGx 1.0 . 4.89 2215 1822 A 59 GLU H A 59 GLU HBx 1.0 . 3.00 2216 1822 A 59 GLU H A 59 GLU HBy 1.0 . 3.00 2217 1823 A 60 GLU H A 59 GLU HBx 1.0 . 3.81 2218 1823 A 60 GLU H A 59 GLU HBy 1.0 . 3.81 2219 1824 A 60 GLU H A 60 GLU HBx 1.0 . 3.54 2220 1824 A 60 GLU H A 60 GLU HBy 1.0 . 3.54 2221 1825 A 61 GLU H A 60 GLU HBx 1.0 . 3.85 2222 1825 A 61 GLU H A 60 GLU HBy 1.0 . 3.85 2223 1826 A 62 SER H A 61 GLU HBx 1.0 . 3.82 2224 1826 A 62 SER H A 61 GLU HBy 1.0 . 3.82 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 LYS C A 3 ASN N A 3 ASN CA A 3 ASN C 1.0 -98.0 -45.7 PHI 2 2 A 3 ASN N A 3 ASN CA A 3 ASN C A 4 ALA N 1.0 124.1 190.7 PSI 3 3 A 3 ASN C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -72.4 -52.4 PHI 4 4 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 ALA N 1.0 -54.1 -27.5 PSI 5 5 A 4 ALA C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -73.4 -53.4 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 LYS N 1.0 -51.1 -31.1 PSI 7 7 A 5 ALA C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -75.8 -55.8 PHI 8 8 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 ILE N 1.0 -51.6 -29.8 PSI 9 9 A 6 LYS C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -73.1 -53.1 PHI 10 10 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 VAL N 1.0 -55.2 -35.2 PSI 11 11 A 7 ILE C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -74.0 -54.0 PHI 12 12 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ASN N 1.0 -52.6 -32.6 PSI 13 13 A 8 VAL C A 9 ASN N A 9 ASN CA A 9 ASN C 1.0 -73.0 -53.0 PHI 14 14 A 9 ASN N A 9 ASN CA A 9 ASN C A 10 GLU N 1.0 -50.9 -30.9 PSI 15 15 A 9 ASN C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -74.8 -54.8 PHI 16 16 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ALA N 1.0 -53.1 -33.1 PSI 17 17 A 10 GLU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -74.1 -54.1 PHI 18 18 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LEU N 1.0 -52.1 -32.1 PSI 19 19 A 11 ALA C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -74.8 -54.8 PHI 20 20 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 -53.5 -30.3 PSI 21 21 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -77.8 -57.8 PHI 22 22 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 GLN N 1.0 -36.8 -12.4 PSI 23 23 A 13 ASN C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -114.6 -92.7 PHI 24 24 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 GLY N 1.0 -1.8 21.3 PSI 25 25 A 15 GLY C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -137.5 -97.6 PHI 26 26 A 16 ILE N A 16 ILE CA A 16 ILE C A 17 THR N 1.0 119.0 143.8 PSI 27 27 A 16 ILE C A 17 THR N A 17 THR CA A 17 THR C 1.0 -120.5 -71.1 PHI 28 28 A 17 THR N A 17 THR CA A 17 THR C A 18 LEU N 1.0 108.7 146.1 PSI 29 29 A 17 THR C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -141.6 -90.8 PHI 30 30 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 PHE N 1.0 112.0 156.7 PSI 31 31 A 18 LEU C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -167.1 -136.9 PHI 32 32 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 VAL N 1.0 153.4 176.2 PSI 33 33 A 19 PHE C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -131.2 -90.4 PHI 34 34 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 SER N 1.0 116.3 139.7 PSI 35 35 A 20 VAL C A 21 SER N A 21 SER CA A 21 SER C 1.0 -165.1 -108.4 PHI 36 36 A 21 SER N A 21 SER CA A 21 SER C A 22 ASP N 1.0 106.1 151.7 PSI 37 37 A 21 SER C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 44.0 64.0 PHI 38 38 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ASN N 1.0 31.9 51.9 PSI 39 39 A 22 ASP C A 23 ASN N A 23 ASN CA A 23 ASN C 1.0 52.1 79.0 PHI 40 40 A 23 ASN N A 23 ASN CA A 23 ASN C A 24 LYS N 1.0 6.1 41.8 PSI 41 41 A 23 ASN C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -153.5 -107.5 PHI 42 42 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 LEU N 1.0 130.1 162.0 PSI 43 43 A 24 LYS C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -108.7 -62.3 PHI 44 44 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 LYS N 1.0 111.5 141.2 PSI 45 45 A 25 LEU C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -150.6 -106.1 PHI 46 46 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 TYR N 1.0 134.1 171.4 PSI 47 47 A 26 LYS C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -167.5 -128.8 PHI 48 48 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 LYS N 1.0 144.5 177.5 PSI 49 49 A 27 TYR C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -151.4 -109.5 PHI 50 50 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 THR N 1.0 122.4 161.9 PSI 51 51 A 28 LYS C A 29 THR N A 29 THR CA A 29 THR C 1.0 -176.6 -105.9 PHI 52 52 A 29 THR N A 29 THR CA A 29 THR C A 30 ASN N 1.0 117.4 180.2 PSI 53 53 A 31 ARG C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -100.7 -51.7 PHI 54 54 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 SER N 1.0 -44.3 1.4 PSI 55 55 A 33 SER C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -161.4 -65.8 PHI 56 56 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 PRO N 1.0 99.8 167.4 PSI 57 57 A 35 PRO C A 36 SER N A 36 SER CA A 36 SER C 1.0 -68.3 -48.3 PHI 58 58 A 36 SER N A 36 SER CA A 36 SER C A 37 GLU N 1.0 -49.2 -29.0 PSI 59 59 A 36 SER C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -73.5 -53.5 PHI 60 60 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 LEU N 1.0 -43.9 -23.7 PSI 61 61 A 37 GLU C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -81.0 -61.0 PHI 62 62 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 LEU N 1.0 -52.5 -32.5 PSI 63 63 A 38 LEU C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -73.9 -53.9 PHI 64 64 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 GLU N 1.0 -49.8 -29.7 PSI 65 65 A 39 LEU C A 40 GLU N A 40 GLU CA A 40 GLU C 1.0 -74.1 -54.1 PHI 66 66 A 40 GLU N A 40 GLU CA A 40 GLU C A 41 GLU N 1.0 -50.1 -27.2 PSI 67 67 A 40 GLU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -74.9 -54.9 PHI 68 68 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 TRP N 1.0 -56.0 -30.6 PSI 69 69 A 41 GLU C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -74.9 -54.9 PHI 70 70 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 LYS N 1.0 -51.7 -26.7 PSI 71 71 A 42 TRP C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -78.1 -53.2 PHI 72 72 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 GLN N 1.0 -49.9 -23.0 PSI 73 73 A 43 LYS C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -81.2 -55.9 PHI 74 74 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 HIS N 1.0 -46.4 -17.4 PSI 75 75 A 44 GLN C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -140.3 -92.3 PHI 76 76 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 LYS N 1.0 -10.4 68.5 PSI 77 77 A 45 HIS C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -69.9 -47.1 PHI 78 78 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 GLN N 1.0 -53.2 -33.2 PSI 79 79 A 46 LYS C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -72.9 -52.9 PHI 80 80 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLU N 1.0 -56.8 -33.7 PSI 81 81 A 47 GLN C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -76.4 -56.4 PHI 82 82 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 LEU N 1.0 -51.6 -28.3 PSI 83 83 A 48 GLU C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -73.8 -53.8 PHI 84 84 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 ILE N 1.0 -53.2 -33.2 PSI 85 85 A 49 LEU C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -72.9 -52.9 PHI 86 86 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 ASP N 1.0 -53.5 -33.5 PSI 87 87 A 50 ILE C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -72.8 -52.8 PHI 88 88 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 PHE N 1.0 -50.5 -30.5 PSI 89 89 A 51 ASP C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -74.8 -54.8 PHI 90 90 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 LEU N 1.0 -54.9 -34.9 PSI 91 91 A 52 PHE C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -76.2 -56.2 PHI 92 92 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 THR N 1.0 -47.0 -27.0 PSI 93 93 A 53 LEU C A 54 THR N A 54 THR CA A 54 THR C 1.0 -76.6 -56.6 PHI 94 94 A 54 THR N A 54 THR CA A 54 THR C A 55 GLN N 1.0 -47.1 -23.4 PSI 95 95 A 54 THR C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -79.5 -59.5 PHI 96 96 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LEU N 1.0 -45.9 -25.4 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16 . . . . 2 ppm . . 65.6 . . . . 3 ppm . . 13 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16 . . . . 2 ppm . . 65.6 . . . . 3 ppm . . 13 . . . . stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 16 . . . . 2 ppm . . 24 . . . . 3 ppm . . 13 . . . . stop_ save_