data_nef_c15314_2jr1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PHE start . . 2 A 2 ASN middle . . 3 A 3 VAL middle . . 4 A 4 LYS middle . . 5 A 5 GLN middle . . 6 A 6 LYS middle . . 7 A 7 SER middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 THR middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 VAL middle . . 14 A 14 LYS middle . . 15 A 15 GLU middle . . 16 A 16 VAL middle . . 17 A 17 THR middle . . 18 A 18 PRO middle . false 19 A 19 PRO middle . false 20 A 20 ARG middle . . 21 A 21 LYS middle . . 22 A 22 ALA middle . . 23 A 23 PRO middle . false 24 A 24 SER middle . . 25 A 25 LYS middle . . 26 A 26 ALA middle . . 27 A 27 LYS middle . . 28 A 28 ARG middle . . 29 A 29 GLU middle . . 30 A 30 ALA middle . . 31 A 31 PRO middle . false 32 A 32 ILE middle . . 33 A 33 LYS middle . . 34 A 34 TYR middle . . 35 A 35 TRP middle . . 36 A 36 LEU middle . . 37 A 37 PRO middle . false 38 A 38 HIS middle . . 39 A 39 SER middle . . 40 A 40 GLY middle . false 41 A 41 ALA middle . . 42 A 42 THR middle . . 43 A 43 TRP middle . . 44 A 44 SER middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 ILE middle . . 50 A 50 PRO middle . false 51 A 51 LYS middle . . 52 A 52 PRO middle . false 53 A 53 PHE middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 TRP middle . . 57 A 57 ILE middle . . 58 A 58 GLY middle . false 59 A 59 THR middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 TYR middle . . 63 A 63 THR middle . . 64 A 64 ALA middle . . 65 A 65 TRP middle . . 66 A 66 LYS middle . . 67 A 67 ALA middle . . 68 A 68 LYS middle . . 69 A 69 HIS middle . . 70 A 70 PRO middle . false 71 A 71 ASP middle . . 72 A 72 GLU middle . . 73 A 73 LYS middle . . 74 A 74 PHE middle . . 75 A 75 PRO middle . false 76 A 76 ALA middle . . 77 A 77 PHE middle . . 78 A 78 PRO middle . false 79 A 79 GLY end . false stop_ save_ save_assignments_HNS79c _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assignments_HNS79c 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 PHE HA H 1 6.211 0.03 A 1 PHE HBx H 1 2.809 0.03 A 1 PHE HBy H 1 3.518 0.03 A 1 PHE HDx H 1 6.774 0.03 A 1 PHE HEx H 1 7.176 0.03 A 1 PHE HZ H 1 7.082 0.03 A 1 PHE C C 13 175.918 0.5 A 1 PHE CA C 13 54.876 0.5 A 1 PHE CB C 13 42.869 0.5 A 1 PHE CDx C 13 130.34 0.5 A 1 PHE CEx C 13 130.612 0.5 A 1 PHE CZ C 13 124.658 0.5 A 2 ASN H H 1 9.438 0.03 A 2 ASN HA H 1 5.912 0.03 A 2 ASN HBy H 1 3.525 0.03 A 2 ASN HBx H 1 3.229 0.03 A 2 ASN HD2y H 1 7.69 0.03 A 2 ASN HD2x H 1 7.023 0.03 A 2 ASN C C 13 175.436 0.5 A 2 ASN CA C 13 54.299 0.5 A 2 ASN CB C 13 38.092 0.5 A 2 ASN N N 15 121.344 0.2 A 2 ASN ND2 N 15 113.894 0.2 A 3 VAL H H 1 8.328 0.03 A 3 VAL HA H 1 4.161 0.03 A 3 VAL HB H 1 2.146 0.03 A 3 VAL HGy% H 1 1.039 0.03 A 3 VAL C C 13 178.2 0.5 A 3 VAL CA C 13 61.577 0.5 A 3 VAL CB C 13 32.162 0.5 A 3 VAL CG2 C 13 21.615 0.5 A 3 VAL N N 15 122.195 0.2 A 4 LYS H H 1 8.474 0.03 A 4 LYS HA H 1 4.283 0.03 A 4 LYS HBx H 1 1.869 0.03 A 4 LYS HBy H 1 1.869 0.03 A 4 LYS HDx H 1 1.722 0.03 A 4 LYS HDy H 1 1.722 0.03 A 4 LYS HEx H 1 3.284 0.03 A 4 LYS HGx H 1 1.52 0.03 A 4 LYS HGy H 1 1.52 0.03 A 4 LYS C C 13 177.509 0.5 A 4 LYS CA C 13 55.197 0.5 A 4 LYS CB C 13 30.194 0.5 A 4 LYS N N 15 122.239 0.2 A 5 GLN H H 1 8.507 0.03 A 5 GLN HA H 1 4.383 0.03 A 5 GLN HBx H 1 2.074 0.03 A 5 GLN HBy H 1 2.074 0.03 A 5 GLN HE2y H 1 7.626 0.03 A 5 GLN HE2x H 1 6.957 0.03 A 5 GLN HGx H 1 2.388 0.03 A 5 GLN HGy H 1 2.388 0.03 A 5 GLN C C 13 177.44 0.5 A 5 GLN CA C 13 55.081 0.5 A 5 GLN CB C 13 29.505 0.5 A 5 GLN CG C 13 35.426 0.5 A 5 GLN N N 15 123.847 0.2 A 5 GLN NE2 N 15 113.454 0.2 A 6 LYS H H 1 8.407 0.03 A 6 LYS HA H 1 4.392 0.03 A 6 LYS HBx H 1 1.883 0.03 A 6 LYS HBy H 1 2.35 0.03 A 6 LYS HDy H 1 1.844 0.03 A 6 LYS HDx H 1 1.779 0.03 A 6 LYS HEx H 1 3.133 0.03 A 6 LYS HEy H 1 3.133 0.03 A 6 LYS HGx H 1 1.549 0.03 A 6 LYS HGy H 1 1.549 0.03 A 6 LYS C C 13 178.373 0.5 A 6 LYS CA C 13 61.491 0.5 A 6 LYS CB C 13 31.993 0.5 A 6 LYS CD C 13 27.575 0.5 A 6 LYS CE C 13 41.166 0.5 A 6 LYS CG C 13 23.945 0.5 A 6 LYS N N 15 123.099 0.2 A 7 SER H H 1 8.516 0.03 A 7 SER HA H 1 4.483 0.03 A 7 SER HBx H 1 3.953 0.03 A 7 SER HBy H 1 3.953 0.03 A 7 SER C C 13 175.401 0.5 A 7 SER CA C 13 57.37 0.5 A 7 SER CB C 13 62.979 0.5 A 7 SER N N 15 117.184 0.2 A 8 GLU H H 1 8.548 0.03 A 8 GLU HA H 1 4.397 0.03 A 8 GLU HBx H 1 2.043 0.03 A 8 GLU HBy H 1 2.043 0.03 A 8 GLU HGx H 1 2.323 0.03 A 8 GLU HGy H 1 2.323 0.03 A 8 GLU C C 13 177.785 0.5 A 8 GLU CA C 13 55.856 0.5 A 8 GLU CB C 13 29.726 0.5 A 8 GLU CG C 13 35.51 0.5 A 8 GLU N N 15 123.697 0.2 A 9 ILE H H 1 8.279 0.03 A 9 ILE HA H 1 4.276 0.03 A 9 ILE HB H 1 1.979 0.03 A 9 ILE HD1% H 1 0.625 0.03 A 9 ILE HG12 H 1 1.673 0.03 A 9 ILE HG13 H 1 1.228 0.03 A 9 ILE HG2% H 1 0.993 0.03 A 9 ILE C C 13 177.958 0.5 A 9 ILE CA C 13 60.538 0.5 A 9 ILE CB C 13 37.725 0.5 A 9 ILE CD1 C 13 11.705 0.5 A 9 ILE CG1 C 13 28.842 0.5 A 9 ILE CG2 C 13 15.672 0.5 A 9 ILE N N 15 122.616 0.2 A 10 THR H H 1 8.255 0.03 A 10 THR HA H 1 4.592 0.03 A 10 THR HB H 1 4.23 0.03 A 10 THR HG2% H 1 1.31 0.03 A 10 THR C C 13 174.993 0.5 A 10 THR CA C 13 61.01 0.5 A 10 THR CB C 13 68.505 0.5 A 10 THR CG2 C 13 20.316 0.5 A 10 THR N N 15 119.401 0.2 A 11 ALA H H 1 8.308 0.03 A 11 ALA HA H 1 4.4 0.03 A 11 ALA HB% H 1 1.449 0.03 A 11 ALA C C 13 178.822 0.5 A 11 ALA CA C 13 51.438 0.5 A 11 ALA CB C 13 18.303 0.5 A 11 ALA N N 15 127.285 0.2 A 12 LEU H H 1 8.228 0.03 A 12 LEU HA H 1 4.457 0.03 A 12 LEU HBx H 1 1.713 0.03 A 12 LEU HBy H 1 2.04 0.03 A 12 LEU HDx% H 1 0.997 0.03 A 12 LEU HDy% H 1 0.635 0.03 A 12 LEU HG H 1 1.363 0.03 A 12 LEU C C 13 178.787 0.5 A 12 LEU CA C 13 54.261 0.5 A 12 LEU CB C 13 41.457 0.5 A 12 LEU CD1 C 13 23.608 0.5 A 12 LEU CG C 13 26.056 0.5 A 12 LEU N N 15 122.431 0.2 A 13 VAL H H 1 8.171 0.03 A 13 VAL HA H 1 4.164 0.03 A 13 VAL HB H 1 2.131 0.03 A 13 VAL HGy% H 1 1.03 0.03 A 13 VAL C C 13 177.412 0.5 A 13 VAL CA C 13 61.489 0.5 A 13 VAL CB C 13 31.791 0.5 A 13 VAL CG2 C 13 21.497 0.5 A 13 VAL N N 15 122.619 0.2 A 14 LYS H H 1 8.459 0.03 A 14 LYS HA H 1 4.375 0.03 A 14 LYS HBx H 1 1.868 0.03 A 14 LYS HBy H 1 2.082 0.03 A 14 LYS HDx H 1 1.756 0.03 A 14 LYS HDy H 1 1.756 0.03 A 14 LYS HEx H 1 3.104 0.03 A 14 LYS HEy H 1 3.104 0.03 A 14 LYS HGx H 1 1.513 0.03 A 14 LYS HGy H 1 1.513 0.03 A 14 LYS C C 13 177.509 0.5 A 14 LYS CA C 13 55.532 0.5 A 14 LYS CB C 13 32.114 0.5 A 14 LYS CD C 13 28.082 0.5 A 14 LYS CE C 13 40.829 0.5 A 14 LYS CG C 13 23.945 0.5 A 14 LYS N N 15 125.566 0.2 A 15 GLU H H 1 8.434 0.03 A 15 GLU HA H 1 4.38 0.03 A 15 GLU HBx H 1 2.167 0.03 A 15 GLU HBy H 1 2.167 0.03 A 15 GLU HGx H 1 2.381 0.03 A 15 GLU HGy H 1 2.381 0.03 A 15 GLU C C 13 177.44 0.5 A 15 GLU CA C 13 55.302 0.5 A 15 GLU CB C 13 29.616 0.5 A 15 GLU N N 15 123.95 0.2 A 16 VAL H H 1 8.326 0.03 A 16 VAL HA H 1 4.205 0.03 A 16 VAL HB H 1 2.148 0.03 A 16 VAL HGy% H 1 1.03 0.03 A 16 VAL CA C 13 61.613 0.5 A 16 VAL CB C 13 32.231 0.5 A 16 VAL N N 15 123.175 0.2 A 17 THR H H 1 8.171 0.03 A 17 THR HA H 1 4.47 0.03 A 17 THR HB H 1 3.976 0.03 A 17 THR HG2% H 1 1.287 0.03 A 17 THR CA C 13 57.893 0.5 A 17 THR CB C 13 70.047 0.5 A 17 THR N N 15 119.533 0.2 A 19 PRO HA H 1 4.355 0.03 A 19 PRO HBx H 1 2.297 0.03 A 19 PRO HGx H 1 2.041 0.03 A 19 PRO C C 13 177.057 0.5 A 19 PRO CA C 13 61.531 0.5 A 19 PRO CB C 13 31.869 0.5 A 20 ARG H H 1 8.435 0.03 A 20 ARG HA H 1 4.391 0.03 A 20 ARG HBx H 1 1.786 0.03 A 20 ARG HBy H 1 1.83 0.03 A 20 ARG HDx H 1 3.091 0.03 A 20 ARG HDy H 1 3.091 0.03 A 20 ARG HGy H 1 1.534 0.03 A 20 ARG HGx H 1 1.523 0.03 A 20 ARG C C 13 177.509 0.5 A 20 ARG CA C 13 55.3 0.5 A 20 ARG CB C 13 32.492 0.5 A 20 ARG CD C 13 42.56 0.5 A 20 ARG CG C 13 28.166 0.5 A 20 ARG N N 15 126.489 0.2 A 21 LYS H H 1 8.426 0.03 A 21 LYS HA H 1 4.397 0.03 A 21 LYS HBx H 1 1.817 0.03 A 21 LYS HBy H 1 1.943 0.03 A 21 LYS HDx H 1 1.712 0.03 A 21 LYS HDy H 1 1.712 0.03 A 21 LYS HEx H 1 3.229 0.03 A 21 LYS HEy H 1 3.229 0.03 A 21 LYS HGx H 1 1.597 0.03 A 21 LYS HGy H 1 1.597 0.03 A 21 LYS C C 13 177.412 0.5 A 21 LYS CA C 13 55.296 0.5 A 21 LYS CB C 13 29.837 0.5 A 21 LYS CD C 13 26.309 0.5 A 21 LYS CE C 13 39.393 0.5 A 21 LYS N N 15 123.626 0.2 A 22 ALA H H 1 8.378 0.03 A 22 ALA HA H 1 4.628 0.03 A 22 ALA HB% H 1 1.413 0.03 A 22 ALA CA C 13 49.376 0.5 A 22 ALA CB C 13 17.501 0.5 A 22 ALA N N 15 127.197 0.2 A 23 PRO HA H 1 4.219 0.03 A 23 PRO HBx H 1 1.86 0.03 A 23 PRO HDx H 1 3.78 0.03 A 23 PRO HGx H 1 1.611 0.03 A 23 PRO C C 13 177.44 0.5 A 23 PRO CA C 13 61.724 0.5 A 23 PRO CB C 13 32.162 0.5 A 24 SER H H 1 8.425 0.03 A 24 SER HA H 1 4.344 0.03 A 24 SER HBx H 1 3.892 0.03 A 24 SER HBy H 1 3.892 0.03 A 24 SER C C 13 175.61 0.5 A 24 SER CA C 13 58.845 0.5 A 24 SER CB C 13 68.92 0.5 A 24 SER N N 15 122.433 0.2 A 25 LYS H H 1 8.323 0.03 A 25 LYS HA H 1 4.137 0.03 A 25 LYS HBx H 1 1.861 0.03 A 25 LYS HBy H 1 1.985 0.03 A 25 LYS HDx H 1 1.551 0.03 A 25 LYS HDy H 1 1.551 0.03 A 25 LYS HGx H 1 1.507 0.03 A 25 LYS HGy H 1 1.507 0.03 A 25 LYS C C 13 177.462 0.5 A 25 LYS CA C 13 55.504 0.5 A 25 LYS CB C 13 32.155 0.5 A 25 LYS CD C 13 28.504 0.5 A 25 LYS CG C 13 24.03 0.5 A 25 LYS N N 15 121.718 0.2 A 26 ALA H H 1 8.333 0.03 A 26 ALA HA H 1 4.334 0.03 A 26 ALA HB% H 1 1.455 0.03 A 26 ALA CA C 13 51.512 0.5 A 26 ALA CB C 13 18.486 0.5 A 26 ALA N N 15 125.817 0.2 A 27 LYS H H 1 8.347 0.03 A 27 LYS HA H 1 4.354 0.03 A 27 LYS HBx H 1 1.877 0.03 A 27 LYS HBy H 1 1.877 0.03 A 27 LYS HDx H 1 1.54 0.03 A 27 LYS HDy H 1 1.54 0.03 A 27 LYS HEx H 1 3.104 0.03 A 27 LYS HEy H 1 3.104 0.03 A 27 LYS HGx H 1 1.494 0.03 A 27 LYS HGy H 1 1.494 0.03 A 27 LYS C C 13 177.923 0.5 A 27 LYS CA C 13 55.413 0.5 A 27 LYS CB C 13 32.162 0.5 A 27 LYS CD C 13 29.686 0.5 A 27 LYS CE C 13 40.238 0.5 A 27 LYS CG C 13 24.705 0.5 A 27 LYS N N 15 121.81 0.2 A 28 ARG H H 1 8.44 0.03 A 28 ARG HA H 1 4.672 0.03 A 28 ARG HBx H 1 2.2 0.03 A 28 ARG HBy H 1 2.2 0.03 A 28 ARG HDx H 1 3.287 0.03 A 28 ARG HDy H 1 3.287 0.03 A 28 ARG HGx H 1 1.409 0.03 A 28 ARG HGy H 1 1.409 0.03 A 28 ARG C C 13 177.474 0.5 A 28 ARG CA C 13 55.14 0.5 A 28 ARG CB C 13 28.508 0.5 A 28 ARG N N 15 122.679 0.2 A 29 GLU H H 1 8.47 0.03 A 29 GLU HA H 1 4.391 0.03 A 29 GLU HBx H 1 2.127 0.03 A 29 GLU HBy H 1 2.127 0.03 A 29 GLU HGx H 1 2.316 0.03 A 29 GLU HGy H 1 2.316 0.03 A 29 GLU C C 13 177.057 0.5 A 29 GLU CA C 13 55.634 0.5 A 29 GLU CB C 13 32.461 0.5 A 29 GLU CG C 13 37.283 0.5 A 29 GLU N N 15 124.395 0.2 A 30 ALA H H 1 8.485 0.03 A 30 ALA HA H 1 4.652 0.03 A 30 ALA HB% H 1 1.428 0.03 A 30 ALA CA C 13 49.523 0.5 A 30 ALA CB C 13 17.328 0.5 A 30 ALA N N 15 128.118 0.2 A 31 PRO HA H 1 4.44 0.03 A 31 PRO HBx H 1 2.3 0.03 A 31 PRO HBy H 1 2.447 0.03 A 31 PRO HDx H 1 3.623 0.03 A 31 PRO HDy H 1 3.623 0.03 A 31 PRO HGx H 1 2.018 0.03 A 31 PRO HGy H 1 2.018 0.03 A 31 PRO C C 13 177.612 0.5 A 31 PRO CA C 13 61.605 0.5 A 31 PRO CB C 13 31.616 0.5 A 32 ILE H H 1 8.202 0.03 A 32 ILE HA H 1 3.503 0.03 A 32 ILE HB H 1 1.408 0.03 A 32 ILE HD1% H 1 0.609 0.03 A 32 ILE HG12 H 1 0.99 0.03 A 32 ILE HG13 H 1 0.99 0.03 A 32 ILE HG2% H 1 0.32 0.03 A 32 ILE C C 13 176.061 0.5 A 32 ILE CA C 13 60.929 0.5 A 32 ILE CB C 13 37.219 0.5 A 32 ILE CD1 C 13 11.199 0.5 A 32 ILE CG1 C 13 26.478 0.5 A 32 ILE CG2 C 13 18.036 0.5 A 32 ILE N N 15 121.27 0.2 A 33 LYS H H 1 7.434 0.03 A 33 LYS HA H 1 4.37 0.03 A 33 LYS HBx H 1 1.939 0.03 A 33 LYS HBy H 1 1.939 0.03 A 33 LYS HDx H 1 1.511 0.03 A 33 LYS HDy H 1 1.511 0.03 A 33 LYS HEx H 1 3 0.03 A 33 LYS HEy H 1 3 0.03 A 33 LYS HGx H 1 1.208 0.03 A 33 LYS HGy H 1 1.208 0.03 A 33 LYS C C 13 176.96 0.5 A 33 LYS CA C 13 56.553 0.5 A 33 LYS CB C 13 35.043 0.5 A 33 LYS CD C 13 28.082 0.5 A 33 LYS CE C 13 42.264 0.5 A 33 LYS CG C 13 23.945 0.5 A 33 LYS N N 15 126.133 0.2 A 34 TYR H H 1 7.974 0.03 A 34 TYR HA H 1 4.551 0.03 A 34 TYR HBx H 1 3.08 0.03 A 34 TYR HBy H 1 3.08 0.03 A 34 TYR HDx H 1 6.994 0.03 A 34 TYR HEx H 1 7 0.03 A 34 TYR CA C 13 57.337 0.5 A 34 TYR CB C 13 38.051 0.5 A 34 TYR CDx C 13 132.952 0.5 A 34 TYR CEx C 13 117.013 0.5 A 34 TYR N N 15 121.936 0.2 A 35 TRP H H 1 7.912 0.03 A 35 TRP HA H 1 4.687 0.03 A 35 TRP HBx H 1 3.243 0.03 A 35 TRP HBy H 1 3.243 0.03 A 35 TRP HE1 H 1 9.979 0.03 A 35 TRP HE3 H 1 7.41 0.03 A 35 TRP HH2 H 1 6.774 0.03 A 35 TRP HZ2 H 1 7.201 0.03 A 35 TRP HZ3 H 1 6.046 0.03 A 35 TRP C C 13 171.862 0.5 A 35 TRP CA C 13 56.72 0.5 A 35 TRP CB C 13 28.638 0.5 A 35 TRP CE3 C 13 119.309 0.5 A 35 TRP CH2 C 13 130.34 0.5 A 35 TRP CZ2 C 13 115.072 0.5 A 35 TRP CZ3 C 13 129.419 0.5 A 35 TRP N N 15 122.844 0.2 A 35 TRP NE1 N 15 131.265 0.2 A 36 LEU H H 1 7.598 0.03 A 36 LEU HA H 1 4.028 0.03 A 36 LEU HBx H 1 1.046 0.03 A 36 LEU HBy H 1 1.508 0.03 A 36 LEU HDx% H 1 -0.223 0.03 A 36 LEU HDy% H 1 -0.47 0.03 A 36 LEU HG H 1 0.008 0.03 A 36 LEU CA C 13 47.586 0.5 A 36 LEU CB C 13 39.448 0.5 A 36 LEU CD1 C 13 24.452 0.5 A 36 LEU CD2 C 13 21.714 0.5 A 36 LEU CG C 13 24.452 0.5 A 36 LEU N N 15 117.117 0.2 A 37 PRO HA H 1 4.34 0.03 A 37 PRO HBx H 1 2.294 0.03 A 37 PRO HBy H 1 2.294 0.03 A 37 PRO HDx H 1 3.626 0.03 A 37 PRO HDy H 1 3.626 0.03 A 37 PRO HGx H 1 2.117 0.03 A 37 PRO HGy H 1 2.117 0.03 A 37 PRO C C 13 175.85 0.5 A 37 PRO CA C 13 62.513 0.5 A 37 PRO CB C 13 31.51 0.5 A 38 HIS H H 1 7.704 0.03 A 38 HIS HA H 1 4.366 0.03 A 38 HIS HBx H 1 2.992 0.03 A 38 HIS HBy H 1 3.163 0.03 A 38 HIS HD2 H 1 8.728 0.03 A 38 HIS HE1 H 1 7.345 0.03 A 38 HIS C C 13 176.772 0.5 A 38 HIS CA C 13 56.604 0.5 A 38 HIS CB C 13 28.736 0.5 A 38 HIS CD2 C 13 134.413 0.5 A 38 HIS CE1 C 13 130.921 0.5 A 38 HIS N N 15 111.845 0.2 A 39 SER H H 1 6.451 0.03 A 39 SER HA H 1 4.62 0.03 A 39 SER HBx H 1 3.844 0.03 A 39 SER HBy H 1 3.844 0.03 A 39 SER C C 13 176.576 0.5 A 39 SER CA C 13 56.604 0.5 A 39 SER CB C 13 65.579 0.5 A 39 SER N N 15 113.386 0.2 A 40 GLY H H 1 8.42 0.03 A 40 GLY HAy H 1 4.346 0.03 A 40 GLY HAx H 1 3.741 0.03 A 40 GLY C C 13 176.997 0.5 A 40 GLY CA C 13 44.153 0.5 A 40 GLY N N 15 113.16 0.2 A 41 ALA H H 1 7.187 0.03 A 41 ALA HA H 1 4.397 0.03 A 41 ALA HB% H 1 1.204 0.03 A 41 ALA C C 13 177.989 0.5 A 41 ALA CA C 13 51.533 0.5 A 41 ALA CB C 13 17.99 0.5 A 41 ALA N N 15 123.786 0.2 A 42 THR H H 1 8.358 0.03 A 42 THR HA H 1 5.612 0.03 A 42 THR HB H 1 4.232 0.03 A 42 THR HG2% H 1 1.23 0.03 A 42 THR C C 13 175.505 0.5 A 42 THR CA C 13 58.816 0.5 A 42 THR CB C 13 71.944 0.5 A 42 THR CG2 C 13 21.328 0.5 A 42 THR N N 15 108.609 0.2 A 43 TRP H H 1 8.625 0.03 A 43 TRP HA H 1 5.338 0.03 A 43 TRP HBx H 1 2.233 0.03 A 43 TRP HBy H 1 2.327 0.03 A 43 TRP HE1 H 1 9.853 0.03 A 43 TRP HE3 H 1 7.408 0.03 A 43 TRP HH2 H 1 7.305 0.03 A 43 TRP HZ2 H 1 7.55 0.03 A 43 TRP HZ3 H 1 6.898 0.03 A 43 TRP C C 13 177.892 0.5 A 43 TRP CA C 13 54.345 0.5 A 43 TRP CB C 13 31.571 0.5 A 43 TRP CE3 C 13 119.101 0.5 A 43 TRP CH2 C 13 123.955 0.5 A 43 TRP CZ2 C 13 113.347 0.5 A 43 TRP CZ3 C 13 121.606 0.5 A 43 TRP N N 15 117.778 0.2 A 43 TRP NE1 N 15 131.151 0.2 A 44 SER H H 1 8.451 0.03 A 44 SER HA H 1 4.498 0.03 A 44 SER HBx H 1 3.946 0.03 A 44 SER HBy H 1 3.946 0.03 A 44 SER C C 13 175.85 0.5 A 44 SER CA C 13 57.363 0.5 A 44 SER CB C 13 62.55 0.5 A 44 SER N N 15 117.818 0.2 A 45 GLY H H 1 7.513 0.03 A 45 GLY HAy H 1 4.344 0.03 A 45 GLY HAx H 1 3.775 0.03 A 45 GLY C C 13 172.858 0.5 A 45 GLY CA C 13 44.312 0.5 A 45 GLY N N 15 111.146 0.2 A 46 ARG H H 1 8.534 0.03 A 46 ARG HA H 1 4.632 0.03 A 46 ARG HBx H 1 1.713 0.03 A 46 ARG HBy H 1 1.905 0.03 A 46 ARG HDx H 1 3.179 0.03 A 46 ARG HDy H 1 3.179 0.03 A 46 ARG HGx H 1 1.484 0.03 A 46 ARG HGy H 1 1.484 0.03 A 46 ARG C C 13 177.983 0.5 A 46 ARG CA C 13 53.53 0.5 A 46 ARG CB C 13 31.064 0.5 A 46 ARG CD C 13 42.01 0.5 A 46 ARG CG C 13 26.14 0.5 A 46 ARG N N 15 120.921 0.2 A 47 GLY H H 1 8.864 0.03 A 47 GLY HAx H 1 3.919 0.03 A 47 GLY HAy H 1 4.336 0.03 A 47 GLY C C 13 177.44 0.5 A 47 GLY CA C 13 44.06 0.5 A 47 GLY N N 15 111.872 0.2 A 48 LYS H H 1 7.752 0.03 A 48 LYS HA H 1 4.274 0.03 A 48 LYS HBx H 1 1.763 0.03 A 48 LYS HBy H 1 1.763 0.03 A 48 LYS HDx H 1 1.497 0.03 A 48 LYS HDy H 1 1.497 0.03 A 48 LYS HEx H 1 3.243 0.03 A 48 LYS HEy H 1 3.243 0.03 A 48 LYS HGx H 1 1.324 0.03 A 48 LYS HGy H 1 1.324 0.03 A 48 LYS C C 13 178.053 0.5 A 48 LYS CA C 13 55.302 0.5 A 48 LYS CB C 13 32.162 0.5 A 48 LYS N N 15 125.971 0.2 A 49 ILE H H 1 8.236 0.03 A 49 ILE HA H 1 2.797 0.03 A 49 ILE HB H 1 1.578 0.03 A 49 ILE HD1% H 1 0.707 0.03 A 49 ILE HG12 H 1 1.095 0.03 A 49 ILE HG13 H 1 1.095 0.03 A 49 ILE HG2% H 1 0.315 0.03 A 49 ILE CA C 13 58.222 0.5 A 49 ILE CB C 13 37.578 0.5 A 49 ILE CD1 C 13 12.887 0.5 A 49 ILE CG1 C 13 27.575 0.5 A 49 ILE CG2 C 13 17.879 0.5 A 49 ILE N N 15 126.182 0.2 A 50 PRO HA H 1 4.344 0.03 A 50 PRO HBx H 1 1.912 0.03 A 50 PRO HDx H 1 3.808 0.03 A 50 PRO C C 13 178.547 0.5 A 50 PRO CA C 13 60.998 0.5 A 50 PRO CB C 13 32.796 0.5 A 50 PRO CD C 13 49.7 0.5 A 51 LYS H H 1 9.065 0.03 A 51 LYS HA H 1 4.87 0.03 A 51 LYS HBx H 1 1.689 0.03 A 51 LYS HBy H 1 1.689 0.03 A 51 LYS HEx H 1 2.776 0.03 A 51 LYS HEy H 1 2.875 0.03 A 51 LYS CA C 13 59.788 0.5 A 51 LYS CB C 13 28.838 0.5 A 51 LYS N N 15 125.299 0.2 A 52 PRO HA H 1 4.391 0.03 A 52 PRO HBx H 1 2.31 0.03 A 52 PRO HBy H 1 2.31 0.03 A 52 PRO HDx H 1 3.8 0.03 A 52 PRO HDy H 1 3.8 0.03 A 52 PRO HGx H 1 1.961 0.03 A 52 PRO HGy H 1 1.961 0.03 A 52 PRO C C 13 181.184 0.5 A 52 PRO CA C 13 64.975 0.5 A 52 PRO CB C 13 30.072 0.5 A 52 PRO CD C 13 49.7 0.5 A 53 PHE H H 1 7.144 0.03 A 53 PHE HA H 1 3.875 0.03 A 53 PHE HBx H 1 2.21 0.03 A 53 PHE HBy H 1 2.74 0.03 A 53 PHE HDx H 1 7.087 0.03 A 53 PHE HEx H 1 7.349 0.03 A 53 PHE C C 13 177.838 0.5 A 53 PHE CA C 13 60.265 0.5 A 53 PHE CB C 13 37.091 0.5 A 53 PHE CDx C 13 130.464 0.5 A 53 PHE CEx C 13 126.311 0.5 A 53 PHE N N 15 116.868 0.2 A 54 GLU H H 1 7.788 0.03 A 54 GLU HA H 1 3.997 0.03 A 54 GLU HBx H 1 2.009 0.03 A 54 GLU HBy H 1 2.158 0.03 A 54 GLU HGx H 1 2.298 0.03 A 54 GLU HGy H 1 2.298 0.03 A 54 GLU C C 13 180.998 0.5 A 54 GLU CA C 13 58.691 0.5 A 54 GLU CB C 13 29.328 0.5 A 54 GLU CG C 13 35.679 0.5 A 54 GLU N N 15 120.523 0.2 A 55 ALA H H 1 8.379 0.03 A 55 ALA HA H 1 4.086 0.03 A 55 ALA HB% H 1 1.487 0.03 A 55 ALA C C 13 180.899 0.5 A 55 ALA CA C 13 53.119 0.5 A 55 ALA CB C 13 17.854 0.5 A 55 ALA N N 15 119.006 0.2 A 56 TRP H H 1 7.575 0.03 A 56 TRP HA H 1 4.616 0.03 A 56 TRP HBx H 1 3.412 0.03 A 56 TRP HBy H 1 3.412 0.03 A 56 TRP HE1 H 1 10.138 0.03 A 56 TRP HH2 H 1 6.652 0.03 A 56 TRP HZ2 H 1 7.291 0.03 A 56 TRP C C 13 179.334 0.5 A 56 TRP CA C 13 59.039 0.5 A 56 TRP CB C 13 27.791 0.5 A 56 TRP CH2 C 13 123.624 0.5 A 56 TRP CZ2 C 13 113.069 0.5 A 56 TRP N N 15 119.77 0.2 A 56 TRP NE1 N 15 133.493 0.2 A 57 ILE H H 1 7.291 0.03 A 57 ILE HA H 1 2.517 0.03 A 57 ILE HB H 1 1.767 0.03 A 57 ILE HD1% H 1 0.997 0.03 A 57 ILE HG12 H 1 1.247 0.03 A 57 ILE HG2% H 1 0.675 0.03 A 57 ILE C C 13 177.768 0.5 A 57 ILE CA C 13 62.722 0.5 A 57 ILE CB C 13 36.507 0.5 A 57 ILE CD1 C 13 12.957 0.5 A 57 ILE CG1 C 13 27.406 0.5 A 57 ILE CG2 C 13 15.926 0.5 A 57 ILE N N 15 117.374 0.2 A 58 GLY H H 1 6.565 0.03 A 58 GLY HAx H 1 3.985 0.03 A 58 GLY HAy H 1 4.069 0.03 A 58 GLY C C 13 178.787 0.5 A 58 GLY CA C 13 43.958 0.5 A 58 GLY N N 15 110.422 0.2 A 59 THR H H 1 7.629 0.03 A 59 THR HA H 1 4.554 0.03 A 59 THR HB H 1 3.952 0.03 A 59 THR HG2% H 1 1.506 0.03 A 59 THR CA C 13 60.466 0.5 A 59 THR CB C 13 71.728 0.5 A 59 THR N N 15 111.6 0.2 A 60 ALA H H 1 9.01 0.03 A 60 ALA HA H 1 4.917 0.03 A 60 ALA HB% H 1 1.536 0.03 A 60 ALA C C 13 182.933 0.5 A 60 ALA CA C 13 54.222 0.5 A 60 ALA CB C 13 18.122 0.5 A 60 ALA N N 15 125.89 0.2 A 61 ALA H H 1 8.368 0.03 A 61 ALA HA H 1 4.256 0.03 A 61 ALA HB% H 1 1.716 0.03 A 61 ALA C C 13 182.536 0.5 A 61 ALA CA C 13 54.071 0.5 A 61 ALA CB C 13 18.122 0.5 A 61 ALA N N 15 121.272 0.2 A 62 TYR H H 1 7.31 0.03 A 62 TYR HA H 1 3.381 0.03 A 62 TYR HBx H 1 2.693 0.03 A 62 TYR HBy H 1 2.693 0.03 A 62 TYR HDx H 1 7.021 0.03 A 62 TYR HEx H 1 6.98 0.03 A 62 TYR C C 13 177.889 0.5 A 62 TYR CA C 13 60.203 0.5 A 62 TYR CB C 13 36.771 0.5 A 62 TYR CDx C 13 133.038 0.5 A 62 TYR CEx C 13 117.05 0.5 A 62 TYR N N 15 122.066 0.2 A 63 THR H H 1 8.303 0.03 A 63 THR HA H 1 4.405 0.03 A 63 THR HB H 1 4.239 0.03 A 63 THR HG2% H 1 1.304 0.03 A 63 THR C C 13 178.2 0.5 A 63 THR CA C 13 65.547 0.5 A 63 THR CB C 13 67.47 0.5 A 63 THR N N 15 117.473 0.2 A 64 ALA H H 1 7.931 0.03 A 64 ALA HA H 1 4.22 0.03 A 64 ALA HB% H 1 1.577 0.03 A 64 ALA C C 13 181.966 0.5 A 64 ALA CA C 13 53.966 0.5 A 64 ALA CB C 13 17.432 0.5 A 64 ALA N N 15 123.649 0.2 A 65 TRP H H 1 8.049 0.03 A 65 TRP HA H 1 4.294 0.03 A 65 TRP HBx H 1 3.626 0.03 A 65 TRP HBy H 1 3.626 0.03 A 65 TRP HE1 H 1 10.312 0.03 A 65 TRP HH2 H 1 6.612 0.03 A 65 TRP HZ2 H 1 7.101 0.03 A 65 TRP C C 13 181.255 0.5 A 65 TRP CA C 13 61.458 0.5 A 65 TRP CB C 13 27.748 0.5 A 65 TRP CH2 C 13 118.871 0.5 A 65 TRP CZ2 C 13 113.105 0.5 A 65 TRP N N 15 121.372 0.2 A 65 TRP NE1 N 15 130.602 0.2 A 66 LYS H H 1 9.624 0.03 A 66 LYS HA H 1 4.352 0.03 A 66 LYS HBx H 1 1.816 0.03 A 66 LYS HBy H 1 1.919 0.03 A 66 LYS HDx H 1 1.763 0.03 A 66 LYS HDy H 1 1.763 0.03 A 66 LYS HEx H 1 3.026 0.03 A 66 LYS HGx H 1 1.539 0.03 A 66 LYS HGy H 1 1.539 0.03 A 66 LYS C C 13 180.615 0.5 A 66 LYS CA C 13 56.03 0.5 A 66 LYS CB C 13 30.842 0.5 A 66 LYS CD C 13 28.166 0.5 A 66 LYS CE C 13 40.913 0.5 A 66 LYS CG C 13 24.861 0.5 A 66 LYS N N 15 123.631 0.2 A 67 ALA H H 1 8.822 0.03 A 67 ALA HA H 1 4.027 0.03 A 67 ALA HB% H 1 1.492 0.03 A 67 ALA C C 13 180.899 0.5 A 67 ALA CA C 13 53.759 0.5 A 67 ALA CB C 13 17.534 0.5 A 67 ALA N N 15 120.803 0.2 A 68 LYS H H 1 6.888 0.03 A 68 LYS HA H 1 4.233 0.03 A 68 LYS HBx H 1 1.792 0.03 A 68 LYS HBy H 1 1.792 0.03 A 68 LYS HDx H 1 1.545 0.03 A 68 LYS HDy H 1 1.545 0.03 A 68 LYS HEx H 1 3.086 0.03 A 68 LYS HEy H 1 3.086 0.03 A 68 LYS HGx H 1 1.411 0.03 A 68 LYS HGy H 1 1.411 0.03 A 68 LYS C C 13 175.989 0.5 A 68 LYS CA C 13 54.355 0.5 A 68 LYS CB C 13 33.056 0.5 A 68 LYS CD C 13 27.829 0.5 A 68 LYS CE C 13 41.673 0.5 A 68 LYS CG C 13 24.452 0.5 A 68 LYS N N 15 113.741 0.2 A 69 HIS H H 1 7.111 0.03 A 69 HIS HA H 1 4.768 0.03 A 69 HIS HBx H 1 2.562 0.03 A 69 HIS HBy H 1 2.562 0.03 A 69 HIS HD2 H 1 8.114 0.03 A 69 HIS HE1 H 1 7.478 0.03 A 69 HIS CA C 13 52.654 0.5 A 69 HIS CB C 13 27.381 0.5 A 69 HIS CD2 C 13 136.572 0.5 A 69 HIS CE1 C 13 131.327 0.5 A 69 HIS N N 15 120.596 0.2 A 70 PRO HA H 1 4.23 0.03 A 70 PRO HBx H 1 2.327 0.03 A 70 PRO HBy H 1 2.327 0.03 A 70 PRO HDy H 1 3.8 0.03 A 70 PRO HDx H 1 3.505 0.03 A 70 PRO HGx H 1 1.961 0.03 A 70 PRO HGy H 1 1.961 0.03 A 70 PRO C C 13 179.651 0.5 A 70 PRO CA C 13 64.184 0.5 A 70 PRO CB C 13 30.854 0.5 A 70 PRO CD C 13 49.319 0.5 A 71 ASP H H 1 8.619 0.03 A 71 ASP HA H 1 4.917 0.03 A 71 ASP HBx H 1 2.741 0.03 A 71 ASP HBy H 1 2.946 0.03 A 71 ASP C C 13 177.057 0.5 A 71 ASP CA C 13 52.975 0.5 A 71 ASP CB C 13 40.475 0.5 A 71 ASP N N 15 116.294 0.2 A 72 GLU H H 1 7.389 0.03 A 72 GLU HA H 1 4.92 0.03 A 72 GLU HBx H 1 2.159 0.03 A 72 GLU HBy H 1 2.159 0.03 A 72 GLU HGx H 1 2.388 0.03 A 72 GLU HGy H 1 2.388 0.03 A 72 GLU C C 13 176.986 0.5 A 72 GLU CA C 13 54.236 0.5 A 72 GLU CB C 13 33.622 0.5 A 72 GLU CG C 13 36.43 0.5 A 72 GLU N N 15 120.136 0.2 A 73 LYS H H 1 9.155 0.03 A 73 LYS HA H 1 4.245 0.03 A 73 LYS HBx H 1 1.69 0.03 A 73 LYS HBy H 1 1.854 0.03 A 73 LYS HDx H 1 1.585 0.03 A 73 LYS HDy H 1 1.585 0.03 A 73 LYS HEx H 1 3.278 0.03 A 73 LYS HEy H 1 3.278 0.03 A 73 LYS HGx H 1 1.403 0.03 A 73 LYS HGy H 1 1.403 0.03 A 73 LYS C C 13 176.68 0.5 A 73 LYS CA C 13 57.999 0.5 A 73 LYS CB C 13 33.418 0.5 A 73 LYS CD C 13 28.335 0.5 A 73 LYS CE C 13 41.166 0.5 A 73 LYS CG C 13 24.452 0.5 A 73 LYS N N 15 121.554 0.2 A 74 PHE H H 1 7.171 0.03 A 74 PHE HA H 1 4.6 0.03 A 74 PHE HBx H 1 3.188 0.03 A 74 PHE HBy H 1 3.293 0.03 A 74 PHE HDx H 1 7.087 0.03 A 74 PHE HEx H 1 7.623 0.03 A 74 PHE HZ H 1 7.433 0.03 A 74 PHE CA C 13 55.159 0.5 A 74 PHE CB C 13 40.451 0.5 A 74 PHE CDx C 13 130.464 0.5 A 74 PHE CEx C 13 131.512 0.5 A 74 PHE CZ C 13 125.987 0.5 A 74 PHE N N 15 111.944 0.2 A 75 PRO HA H 1 4.64 0.03 A 75 PRO HBx H 1 2.321 0.03 A 75 PRO HBy H 1 2.485 0.03 A 75 PRO HDx H 1 3.79 0.03 A 75 PRO HDy H 1 3.79 0.03 A 75 PRO HGx H 1 2.002 0.03 A 75 PRO HGy H 1 2.002 0.03 A 75 PRO C C 13 176.914 0.5 A 75 PRO CA C 13 62.713 0.5 A 75 PRO CB C 13 30.073 0.5 A 75 PRO CD C 13 48.781 0.5 A 76 ALA H H 1 9.039 0.03 A 76 ALA HA H 1 4.87 0.03 A 76 ALA HB% H 1 1.695 0.03 A 76 ALA C C 13 179.974 0.5 A 76 ALA CA C 13 50.923 0.5 A 76 ALA CB C 13 18.13 0.5 A 76 ALA N N 15 128.387 0.2 A 77 PHE H H 1 8.117 0.03 A 77 PHE HA H 1 4.915 0.03 A 77 PHE HBx H 1 2.743 0.03 A 77 PHE HBy H 1 2.96 0.03 A 77 PHE HDx H 1 7.078 0.03 A 77 PHE HEx H 1 7.342 0.03 A 77 PHE CA C 13 53.371 0.5 A 77 PHE CB C 13 36.523 0.5 A 77 PHE CEx C 13 125.748 0.5 A 77 PHE N N 15 125.115 0.2 A 78 PRO HA H 1 4.245 0.03 A 78 PRO HBx H 1 2.391 0.03 A 78 PRO HBy H 1 2.391 0.03 A 78 PRO HDx H 1 3.876 0.03 A 78 PRO HDy H 1 3.876 0.03 A 78 PRO HGx H 1 2.064 0.03 A 78 PRO HGy H 1 2.064 0.03 A 78 PRO C C 13 176.487 0.5 A 78 PRO CA C 13 62.48 0.5 A 78 PRO CB C 13 30.324 0.5 A 79 GLY H H 1 5.46 0.03 A 79 GLY HAx H 1 3.342 0.03 A 79 GLY HAy H 1 3.549 0.03 A 79 GLY CA C 13 44.924 0.5 A 79 GLY N N 15 113.022 0.2 stop_ save_ save_Discover_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 1 PHE HA A 1 PHE HEx 1.0 1.9 5.14 2 2 A 1 PHE HA A 2 ASN H 1.0 1.9 2.86 3 3 A 1 PHE HDx A 1 PHE HBx 1.0 1.9 3.11 4 3 A 1 PHE HBy A 1 PHE HDx 1.0 1.9 3.11 5 4 A 2 ASN HA A 1 PHE HBx 1.0 1.9 6.34 6 4 A 1 PHE HBy A 2 ASN HA 1.0 1.9 6.34 7 5 A 2 ASN H A 1 PHE HDx 1.0 1.9 3.32 8 6 A 2 ASN H A 2 ASN HBx 1.0 1.9 3.00 9 7 A 2 ASN H A 2 ASN HBy 1.0 1.9 3.72 10 8 A 2 ASN H A 2 ASN HD2x 1.0 1.9 6.90 11 8 A 2 ASN H A 2 ASN HD2y 1.0 1.9 6.90 12 9 A 2 ASN H A 3 VAL H 1.0 1.9 2.62 13 10 A 2 ASN HA A 2 ASN HBx 1.0 1.9 2.96 14 11 A 2 ASN HA A 3 VAL HA 1.0 1.9 4.88 15 12 A 2 ASN HA A 3 VAL HB 1.0 1.9 5.83 16 13 A 2 ASN HBx A 33 LYS HGx 1.0 1.9 6.88 17 13 A 2 ASN HBx A 33 LYS HGy 1.0 1.9 6.88 18 14 A 2 ASN HBx A 69 HIS HE1 1.0 1.9 6.00 19 15 A 2 ASN HBy A 3 VAL H 1.0 1.9 2.66 20 16 A 2 ASN HBy A 33 LYS HGx 1.0 1.9 5.98 21 16 A 2 ASN HBy A 33 LYS HGy 1.0 1.9 5.98 22 17 A 2 ASN HD2y A 33 LYS HGx 1.0 1.9 4.11 23 17 A 2 ASN HD2x A 33 LYS HGx 1.0 1.9 4.11 24 17 A 33 LYS HGy A 2 ASN HD2x 1.0 1.9 4.11 25 17 A 2 ASN HD2y A 33 LYS HGy 1.0 1.9 4.11 26 18 A 2 ASN HD2x A 33 LYS HDx 1.0 1.9 4.89 27 18 A 2 ASN HD2y A 33 LYS HDx 1.0 1.9 4.89 28 18 A 33 LYS HDy A 2 ASN HD2x 1.0 1.9 4.89 29 18 A 2 ASN HD2y A 33 LYS HDy 1.0 1.9 4.89 30 19 A 69 HIS HE1 A 2 ASN HD2x 1.0 1.9 4.92 31 19 A 2 ASN HD2y A 69 HIS HE1 1.0 1.9 4.92 32 20 A 3 VAL H A 3 VAL HB 1.0 1.9 2.97 33 21 A 3 VAL H A 3 VAL HGy% 1.0 1.9 4.80 34 22 A 3 VAL H A 4 LYS H 1.0 1.9 4.60 35 23 A 3 VAL HA A 3 VAL HB 1.0 1.9 2.68 36 24 A 3 VAL HA A 3 VAL HGy% 1.0 1.9 3.15 37 25 A 3 VAL HA A 33 LYS HEy 1.0 1.9 6.88 38 25 A 3 VAL HA A 33 LYS HEx 1.0 1.9 6.88 39 26 A 3 VAL HA A 69 HIS HE1 1.0 1.9 5.09 40 27 A 3 VAL HB A 69 HIS HE1 1.0 1.9 4.31 41 28 A 3 VAL HGy% A 4 LYS H 1.0 1.9 6.00 42 29 A 69 HIS HE1 A 3 VAL HGy% 1.0 1.9 3.13 43 30 A 3 VAL HGy% A 72 GLU HA 1.0 1.9 6.00 44 31 A 3 VAL HGy% A 72 GLU HBy 1.0 1.9 3.48 45 32 A 4 LYS H A 4 LYS HBx 1.0 1.9 3.60 46 32 A 4 LYS H A 4 LYS HBy 1.0 1.9 3.60 47 33 A 4 LYS H A 4 LYS HDx 1.0 1.9 5.47 48 33 A 4 LYS H A 4 LYS HDy 1.0 1.9 5.47 49 34 A 4 LYS H A 5 GLN H 1.0 1.9 4.60 50 35 A 4 LYS H A 72 GLU HGx 1.0 1.9 4.15 51 35 A 4 LYS H A 72 GLU HGy 1.0 1.9 4.15 52 36 A 5 GLN H A 4 LYS HA 1.0 1.9 2.58 53 37 A 5 GLN H A 5 GLN HBx 1.0 1.9 3.46 54 37 A 5 GLN H A 5 GLN HBy 1.0 1.9 3.46 55 38 A 5 GLN H A 5 GLN HGx 1.0 1.9 5.24 56 38 A 5 GLN H A 5 GLN HGy 1.0 1.9 5.24 57 39 A 5 GLN H A 6 LYS H 1.0 1.9 4.62 58 40 A 72 GLU HA A 5 GLN H 1.0 1.9 6.00 59 41 A 6 LYS H A 5 GLN HA 1.0 1.9 2.77 60 42 A 6 LYS H A 5 GLN HBx 1.0 1.9 3.70 61 42 A 5 GLN HBy A 6 LYS H 1.0 1.9 3.70 62 43 A 72 GLU HA A 5 GLN HBx 1.0 1.9 5.05 63 43 A 72 GLU HA A 5 GLN HBy 1.0 1.9 5.05 64 44 A 71 ASP H A 5 GLN HGx 1.0 1.9 6.88 65 44 A 5 GLN HGy A 71 ASP H 1.0 1.9 6.88 66 45 A 72 GLU HA A 5 GLN HGx 1.0 1.9 3.87 67 45 A 72 GLU HA A 5 GLN HGy 1.0 1.9 3.87 68 46 A 5 GLN HGy A 72 GLU HGx 1.0 1.9 5.45 69 46 A 72 GLU HGy A 5 GLN HGx 1.0 1.9 5.45 70 46 A 72 GLU HGy A 5 GLN HGy 1.0 1.9 5.45 71 46 A 5 GLN HGx A 72 GLU HGx 1.0 1.9 5.45 72 47 A 5 GLN HE2y A 72 GLU H 1.0 1.9 6.00 73 48 A 72 GLU HA A 5 GLN HE2y 1.0 1.9 4.09 74 49 A 72 GLU HA A 5 GLN HE2y 1.0 1.9 3.75 75 49 A 72 GLU HA A 5 GLN HE2x 1.0 1.9 3.75 76 50 A 72 GLU H A 5 GLN HE2x 1.0 1.9 6.00 77 51 A 72 GLU HA A 5 GLN HE2x 1.0 1.9 4.09 78 52 A 6 LYS H A 6 LYS HGx 1.0 1.9 5.41 79 52 A 6 LYS H A 6 LYS HGy 1.0 1.9 5.41 80 53 A 6 LYS H A 6 LYS HDy 1.0 1.9 5.94 81 53 A 6 LYS H A 6 LYS HDx 1.0 1.9 5.94 82 54 A 6 LYS H A 7 SER H 1.0 1.9 4.54 83 55 A 72 GLU HA A 6 LYS H 1.0 1.9 6.04 84 56 A 6 LYS HA A 6 LYS HBy 1.0 1.9 2.65 85 56 A 6 LYS HA A 6 LYS HBx 1.0 1.9 2.65 86 57 A 7 SER H A 6 LYS HA 1.0 1.9 2.43 87 58 A 6 LYS HA A 30 ALA H 1.0 1.9 4.32 88 59 A 6 LYS HA A 30 ALA HB% 1.0 1.9 4.58 89 60 A 30 ALA H A 6 LYS HBy 1.0 1.9 6.88 90 60 A 6 LYS HBx A 30 ALA H 1.0 1.9 6.88 91 61 A 74 PHE HA A 6 LYS HBy 1.0 1.9 5.39 92 61 A 6 LYS HBx A 74 PHE HA 1.0 1.9 5.39 93 62 A 6 LYS HBy A 74 PHE HBy 1.0 1.9 6.28 94 63 A 6 LYS HBy A 74 PHE HBy 1.0 1.9 5.15 95 63 A 6 LYS HBx A 74 PHE HBy 1.0 1.9 5.15 96 63 A 74 PHE HBx A 6 LYS HBy 1.0 1.9 5.15 97 63 A 6 LYS HBx A 74 PHE HBx 1.0 1.9 5.15 98 64 A 74 PHE HBx A 6 LYS HBy 1.0 1.9 6.28 99 65 A 6 LYS HBx A 74 PHE HBy 1.0 1.9 6.28 100 66 A 6 LYS HBx A 74 PHE HBx 1.0 1.9 6.28 101 67 A 6 LYS HGy A 30 ALA HB% 1.0 1.9 4.32 102 67 A 30 ALA HB% A 6 LYS HGx 1.0 1.9 4.32 103 68 A 74 PHE H A 6 LYS HGx 1.0 1.9 4.00 104 68 A 6 LYS HGy A 74 PHE H 1.0 1.9 4.00 105 69 A 6 LYS HGy A 74 PHE HBy 1.0 1.9 4.53 106 69 A 6 LYS HGx A 74 PHE HBy 1.0 1.9 4.53 107 69 A 74 PHE HBx A 6 LYS HGx 1.0 1.9 4.53 108 69 A 6 LYS HGy A 74 PHE HBx 1.0 1.9 4.53 109 70 A 74 PHE HDx A 6 LYS HGx 1.0 1.9 4.18 110 70 A 6 LYS HGy A 74 PHE HDx 1.0 1.9 4.18 111 71 A 74 PHE HEx A 6 LYS HGx 1.0 1.9 6.88 112 71 A 6 LYS HGy A 74 PHE HEx 1.0 1.9 6.88 113 72 A 75 PRO HDy A 6 LYS HGx 1.0 1.9 6.88 114 72 A 6 LYS HGy A 75 PRO HDy 1.0 1.9 6.88 115 73 A 72 GLU HA A 6 LYS HDy 1.0 1.9 5.88 116 73 A 72 GLU HA A 6 LYS HDx 1.0 1.9 5.88 117 74 A 6 LYS HDy A 72 GLU HGx 1.0 1.9 7.75 118 74 A 6 LYS HDx A 72 GLU HGx 1.0 1.9 7.75 119 74 A 72 GLU HGy A 6 LYS HDy 1.0 1.9 7.75 120 74 A 72 GLU HGy A 6 LYS HDx 1.0 1.9 7.75 121 75 A 73 LYS H A 6 LYS HDy 1.0 1.9 5.43 122 75 A 6 LYS HDx A 73 LYS H 1.0 1.9 5.43 123 76 A 73 LYS HA A 6 LYS HDy 1.0 1.9 4.19 124 76 A 6 LYS HDx A 73 LYS HA 1.0 1.9 4.19 125 77 A 6 LYS HDx A 73 LYS HGx 1.0 1.9 5.18 126 77 A 6 LYS HDy A 73 LYS HGx 1.0 1.9 5.18 127 77 A 73 LYS HGy A 6 LYS HDy 1.0 1.9 5.18 128 77 A 6 LYS HDx A 73 LYS HGy 1.0 1.9 5.18 129 78 A 74 PHE H A 6 LYS HDy 1.0 1.9 3.53 130 78 A 6 LYS HDx A 74 PHE H 1.0 1.9 3.53 131 79 A 6 LYS HDy A 74 PHE HBy 1.0 1.9 4.62 132 79 A 6 LYS HDx A 74 PHE HBy 1.0 1.9 4.62 133 79 A 74 PHE HBx A 6 LYS HDy 1.0 1.9 4.62 134 79 A 6 LYS HDx A 74 PHE HBx 1.0 1.9 4.62 135 80 A 30 ALA HB% A 6 LYS HEy 1.0 1.9 3.29 136 80 A 30 ALA HB% A 6 LYS HEx 1.0 1.9 3.29 137 81 A 30 ALA HB% A 6 LYS HEy 1.0 1.9 4.01 138 81 A 30 ALA HB% A 6 LYS HEx 1.0 1.9 4.01 139 82 A 6 LYS HEy A 39 SER HBy 1.0 1.9 5.20 140 82 A 6 LYS HEx A 39 SER HBy 1.0 1.9 5.20 141 82 A 39 SER HBx A 6 LYS HEx 1.0 1.9 5.20 142 82 A 6 LYS HEy A 39 SER HBx 1.0 1.9 5.20 143 83 A 72 GLU HA A 6 LYS HEx 1.0 1.9 5.70 144 83 A 72 GLU HA A 6 LYS HEy 1.0 1.9 5.70 145 84 A 7 SER H A 7 SER HBx 1.0 1.9 3.47 146 84 A 7 SER H A 7 SER HBy 1.0 1.9 3.47 147 85 A 7 SER H A 8 GLU H 1.0 1.9 4.60 148 86 A 7 SER H A 29 GLU HA 1.0 1.9 6.00 149 87 A 7 SER H A 30 ALA H 1.0 1.9 2.45 150 88 A 8 GLU H A 7 SER HA 1.0 1.9 2.55 151 89 A 7 SER HBy A 28 ARG HDx 1.0 1.9 6.79 152 89 A 7 SER HBx A 28 ARG HDx 1.0 1.9 6.79 153 89 A 28 ARG HDy A 7 SER HBx 1.0 1.9 6.79 154 89 A 7 SER HBy A 28 ARG HDy 1.0 1.9 6.79 155 90 A 8 GLU H A 8 GLU HBy 1.0 1.9 4.01 156 91 A 8 GLU H A 8 GLU HBx 1.0 1.9 3.38 157 91 A 8 GLU H A 8 GLU HBy 1.0 1.9 3.38 158 92 A 8 GLU H A 8 GLU HBx 1.0 1.9 4.01 159 93 A 8 GLU H A 8 GLU HGx 1.0 1.9 5.79 160 93 A 8 GLU H A 8 GLU HGy 1.0 1.9 5.79 161 94 A 8 GLU H A 9 ILE H 1.0 1.9 4.25 162 95 A 8 GLU H A 29 GLU HA 1.0 1.9 6.00 163 96 A 9 ILE H A 8 GLU HA 1.0 1.9 2.49 164 97 A 8 GLU HA A 28 ARG H 1.0 1.9 4.40 165 98 A 29 GLU HA A 8 GLU HA 1.0 1.9 3.20 166 99 A 8 GLU HA A 29 GLU HGx 1.0 1.9 3.70 167 99 A 8 GLU HA A 29 GLU HGy 1.0 1.9 3.70 168 100 A 30 ALA H A 8 GLU HA 1.0 1.9 5.02 169 101 A 29 GLU HA A 8 GLU HBx 1.0 1.9 5.83 170 101 A 29 GLU HA A 8 GLU HBy 1.0 1.9 5.83 171 102 A 8 GLU HBx A 29 GLU HGx 1.0 1.9 6.75 172 102 A 8 GLU HBy A 29 GLU HGx 1.0 1.9 6.75 173 102 A 29 GLU HGy A 8 GLU HBx 1.0 1.9 6.75 174 102 A 8 GLU HBy A 29 GLU HGy 1.0 1.9 6.75 175 103 A 9 ILE H A 8 GLU HGx 1.0 1.9 5.31 176 103 A 8 GLU HGy A 9 ILE H 1.0 1.9 5.31 177 104 A 29 GLU HA A 8 GLU HGx 1.0 1.9 3.40 178 104 A 29 GLU HA A 8 GLU HGy 1.0 1.9 3.40 179 105 A 8 GLU HGy A 29 GLU HGx 1.0 1.9 4.50 180 105 A 8 GLU HGx A 29 GLU HGx 1.0 1.9 4.50 181 105 A 29 GLU HGy A 8 GLU HGx 1.0 1.9 4.50 182 105 A 8 GLU HGy A 29 GLU HGy 1.0 1.9 4.50 183 106 A 74 PHE HDx A 8 GLU HGx 1.0 1.9 6.88 184 106 A 74 PHE HDx A 8 GLU HGy 1.0 1.9 6.88 185 107 A 9 ILE H A 9 ILE HB 1.0 1.9 2.69 186 108 A 9 ILE H A 9 ILE HG12 1.0 1.9 5.12 187 108 A 9 ILE H A 9 ILE HG13 1.0 1.9 5.12 188 109 A 9 ILE H A 9 ILE HG2% 1.0 1.9 4.62 189 110 A 9 ILE H A 10 THR H 1.0 1.9 4.46 190 111 A 9 ILE H A 27 LYS HA 1.0 1.9 4.90 191 112 A 9 ILE H A 28 ARG H 1.0 1.9 3.01 192 113 A 9 ILE H A 28 ARG HBx 1.0 1.9 3.42 193 113 A 9 ILE H A 28 ARG HBy 1.0 1.9 3.42 194 114 A 9 ILE HG2% A 9 ILE HA 1.0 1.9 3.19 195 115 A 10 THR H A 9 ILE HA 1.0 1.9 2.36 196 116 A 9 ILE HB A 10 THR H 1.0 1.9 4.03 197 117 A 9 ILE HB A 28 ARG HBx 1.0 1.9 4.24 198 117 A 9 ILE HB A 28 ARG HBy 1.0 1.9 4.24 199 118 A 9 ILE HB A 28 ARG HGy 1.0 1.9 4.80 200 118 A 9 ILE HB A 28 ARG HGx 1.0 1.9 4.80 201 119 A 9 ILE HG12 A 28 ARG HDx 1.0 1.9 4.63 202 119 A 9 ILE HG13 A 28 ARG HDx 1.0 1.9 4.63 203 119 A 28 ARG HDy A 9 ILE HG12 1.0 1.9 4.63 204 119 A 28 ARG HDy A 9 ILE HG13 1.0 1.9 4.63 205 120 A 9 ILE HG2% A 10 THR H 1.0 1.9 2.73 206 121 A 9 ILE HG2% A 10 THR HA 1.0 1.9 5.00 207 122 A 28 ARG HDy A 9 ILE HG2% 1.0 1.9 3.31 208 122 A 9 ILE HG2% A 28 ARG HDx 1.0 1.9 3.31 209 123 A 10 THR H A 10 THR HA 1.0 1.9 2.92 210 124 A 10 THR H A 10 THR HB 1.0 1.9 2.28 211 125 A 10 THR H A 10 THR HG2% 1.0 1.9 4.32 212 126 A 10 THR H A 11 ALA H 1.0 1.9 4.61 213 127 A 10 THR HA A 11 ALA H 1.0 1.9 2.49 214 128 A 10 THR HA A 27 LYS HBx 1.0 1.9 6.88 215 128 A 10 THR HA A 27 LYS HBy 1.0 1.9 6.88 216 129 A 28 ARG H A 10 THR HA 1.0 1.9 5.00 217 130 A 10 THR HB A 12 LEU HDx% 1.0 1.9 7.58 218 130 A 10 THR HB A 12 LEU HDy% 1.0 1.9 7.58 219 131 A 11 ALA H A 11 ALA HA 1.0 1.9 2.87 220 132 A 11 ALA H A 11 ALA HB% 1.0 1.9 2.76 221 133 A 11 ALA H A 12 LEU H 1.0 1.9 4.63 222 134 A 11 ALA H A 26 ALA H 1.0 1.9 4.86 223 135 A 11 ALA H A 26 ALA HB% 1.0 1.9 6.00 224 136 A 27 LYS HA A 11 ALA H 1.0 1.9 4.90 225 137 A 11 ALA HA A 12 LEU H 1.0 1.9 2.63 226 138 A 11 ALA HB% A 26 ALA HB% 1.0 1.9 3.15 227 139 A 11 ALA HB% A 27 LYS HEy 1.0 1.9 3.64 228 139 A 11 ALA HB% A 27 LYS HEx 1.0 1.9 3.64 229 140 A 11 ALA HB% A 26 ALA H 1.0 1.9 3.81 230 141 A 12 LEU H A 12 LEU HBy 1.0 1.9 3.32 231 142 A 12 LEU H A 12 LEU HBy 1.0 1.9 2.95 232 142 A 12 LEU H A 12 LEU HBx 1.0 1.9 2.95 233 143 A 12 LEU H A 12 LEU HBx 1.0 1.9 3.32 234 144 A 12 LEU H A 12 LEU HG 1.0 1.9 5.10 235 145 A 12 LEU H A 12 LEU HDx% 1.0 1.9 6.97 236 145 A 12 LEU HDy% A 12 LEU H 1.0 1.9 6.97 237 146 A 12 LEU H A 13 VAL H 1.0 1.9 4.40 238 147 A 12 LEU H A 26 ALA HB% 1.0 1.9 2.90 239 148 A 13 VAL H A 12 LEU HA 1.0 1.9 2.56 240 149 A 13 VAL HA A 12 LEU HBy 1.0 1.9 5.54 241 149 A 12 LEU HBx A 13 VAL HA 1.0 1.9 5.54 242 150 A 13 VAL H A 13 VAL HA 1.0 1.9 2.94 243 151 A 13 VAL H A 13 VAL HB 1.0 1.9 3.56 244 152 A 13 VAL H A 13 VAL HG11 1.0 1.9 3.65 245 152 A 13 VAL H A 13 VAL HGy% 1.0 1.9 3.65 246 153 A 13 VAL H A 14 LYS H 1.0 1.9 4.67 247 154 A 13 VAL H A 24 SER H 1.0 1.9 6.01 248 155 A 13 VAL HA A 14 LYS H 1.0 1.9 2.47 249 156 A 13 VAL HA A 14 LYS HBx 1.0 1.9 5.94 250 156 A 13 VAL HA A 14 LYS HBy 1.0 1.9 5.94 251 157 A 13 VAL HA A 24 SER HBx 1.0 1.9 5.38 252 157 A 13 VAL HA A 24 SER HBy 1.0 1.9 5.38 253 158 A 13 VAL HB A 14 LYS H 1.0 1.9 2.97 254 159 A 13 VAL HB A 21 LYS HBx 1.0 1.9 4.38 255 159 A 13 VAL HB A 21 LYS HBy 1.0 1.9 4.38 256 160 A 13 VAL HB A 21 LYS HEy 1.0 1.9 6.00 257 161 A 13 VAL HB A 21 LYS HEy 1.0 1.9 5.49 258 161 A 13 VAL HB A 21 LYS HEx 1.0 1.9 5.49 259 162 A 13 VAL HB A 21 LYS HEx 1.0 1.9 6.00 260 163 A 13 VAL HG11 A 21 LYS HDx 1.0 1.9 7.88 261 163 A 13 VAL HGy% A 21 LYS HDx 1.0 1.9 7.88 262 163 A 21 LYS HDy A 13 VAL HG11 1.0 1.9 7.88 263 163 A 13 VAL HGy% A 21 LYS HDy 1.0 1.9 7.88 264 164 A 14 LYS H A 14 LYS HBx 1.0 1.9 3.43 265 164 A 14 LYS H A 14 LYS HBy 1.0 1.9 3.43 266 165 A 14 LYS H A 14 LYS HGx 1.0 1.9 5.53 267 165 A 14 LYS H A 14 LYS HGy 1.0 1.9 5.53 268 166 A 14 LYS HA A 14 LYS HBx 1.0 1.9 2.71 269 166 A 14 LYS HBy A 14 LYS HA 1.0 1.9 2.71 270 167 A 14 LYS HGy A 14 LYS HA 1.0 1.9 4.09 271 168 A 14 LYS HA A 14 LYS HGx 1.0 1.9 3.65 272 168 A 14 LYS HGy A 14 LYS HA 1.0 1.9 3.65 273 169 A 14 LYS HA A 14 LYS HGx 1.0 1.9 4.09 274 170 A 14 LYS HA A 15 GLU H 1.0 1.9 2.50 275 171 A 14 LYS HA A 24 SER HBx 1.0 1.9 4.24 276 171 A 24 SER HBy A 14 LYS HA 1.0 1.9 4.24 277 172 A 15 GLU H A 14 LYS HBx 1.0 1.9 5.29 278 172 A 14 LYS HBy A 15 GLU H 1.0 1.9 5.29 279 173 A 22 ALA H A 14 LYS HBx 1.0 1.9 4.69 280 173 A 14 LYS HBy A 22 ALA H 1.0 1.9 4.69 281 174 A 22 ALA HB% A 14 LYS HBx 1.0 1.9 4.05 282 174 A 14 LYS HBy A 22 ALA HB% 1.0 1.9 4.05 283 175 A 24 SER H A 14 LYS HBx 1.0 1.9 3.91 284 175 A 24 SER H A 14 LYS HBy 1.0 1.9 3.91 285 176 A 24 SER HA A 14 LYS HBx 1.0 1.9 4.88 286 176 A 14 LYS HBy A 24 SER HA 1.0 1.9 4.88 287 177 A 15 GLU H A 14 LYS HGx 1.0 1.9 4.13 288 177 A 14 LYS HGy A 15 GLU H 1.0 1.9 4.13 289 178 A 22 ALA H A 14 LYS HGx 1.0 1.9 6.88 290 178 A 14 LYS HGy A 22 ALA H 1.0 1.9 6.88 291 179 A 15 GLU H A 15 GLU HBx 1.0 1.9 3.45 292 179 A 15 GLU H A 15 GLU HBy 1.0 1.9 3.45 293 180 A 15 GLU H A 15 GLU HGx 1.0 1.9 4.18 294 180 A 15 GLU H A 15 GLU HGy 1.0 1.9 4.18 295 181 A 15 GLU H A 16 VAL H 1.0 1.9 4.56 296 182 A 16 VAL H A 15 GLU HA 1.0 1.9 2.50 297 183 A 16 VAL H A 16 VAL HB 1.0 1.9 4.01 298 184 A 16 VAL H A 17 THR H 1.0 1.9 4.51 299 185 A 17 THR H A 16 VAL HA 1.0 1.9 2.56 300 186 A 16 VAL HA A 17 THR HB 1.0 1.9 4.95 301 187 A 16 VAL HB A 20 ARG H 1.0 1.9 3.69 302 188 A 17 THR H A 16 VAL HG11 1.0 1.9 6.16 303 188 A 17 THR H A 16 VAL HGy% 1.0 1.9 6.16 304 189 A 21 LYS H A 16 VAL HG11 1.0 1.9 7.56 305 189 A 16 VAL HGy% A 21 LYS H 1.0 1.9 7.56 306 190 A 17 THR H A 18 PRO HDy 1.0 1.9 3.21 307 191 A 17 THR H A 18 PRO HDx 1.0 1.9 2.99 308 191 A 17 THR H A 18 PRO HDy 1.0 1.9 2.99 309 192 A 17 THR H A 18 PRO HDx 1.0 1.9 3.21 310 193 A 20 ARG H A 19 PRO HA 1.0 1.9 3.54 311 194 A 20 ARG H A 20 ARG HBy 1.0 1.9 3.27 312 195 A 20 ARG H A 20 ARG HBx 1.0 1.9 3.02 313 195 A 20 ARG H A 20 ARG HBy 1.0 1.9 3.02 314 196 A 20 ARG H A 20 ARG HBx 1.0 1.9 3.27 315 197 A 20 ARG H A 20 ARG HGy 1.0 1.9 5.62 316 197 A 20 ARG H A 20 ARG HGx 1.0 1.9 5.62 317 198 A 20 ARG H A 21 LYS H 1.0 1.9 4.74 318 199 A 20 ARG HA A 20 ARG HGy 1.0 1.9 3.86 319 199 A 20 ARG HGx A 20 ARG HA 1.0 1.9 3.86 320 200 A 21 LYS H A 20 ARG HA 1.0 1.9 2.50 321 201 A 20 ARG HA A 21 LYS HBx 1.0 1.9 5.68 322 201 A 21 LYS HBy A 20 ARG HA 1.0 1.9 5.68 323 202 A 21 LYS HA A 20 ARG HGy 1.0 1.9 5.71 324 202 A 20 ARG HGx A 21 LYS HA 1.0 1.9 5.71 325 203 A 21 LYS HA A 21 LYS HBx 1.0 1.9 2.70 326 203 A 21 LYS HBy A 21 LYS HA 1.0 1.9 2.70 327 204 A 22 ALA H A 21 LYS HA 1.0 1.9 2.70 328 205 A 22 ALA H A 21 LYS HBx 1.0 1.9 5.21 329 205 A 21 LYS HBy A 22 ALA H 1.0 1.9 5.21 330 206 A 22 ALA HA A 21 LYS HBx 1.0 1.9 5.81 331 206 A 21 LYS HBy A 22 ALA HA 1.0 1.9 5.81 332 207 A 22 ALA H A 22 ALA HB% 1.0 1.9 3.49 333 208 A 22 ALA HA A 23 PRO HDx 1.0 1.9 3.25 334 208 A 22 ALA HA A 23 PRO HDy 1.0 1.9 3.25 335 209 A 22 ALA HB% A 24 SER HBx 1.0 1.9 5.33 336 209 A 24 SER HBy A 22 ALA HB% 1.0 1.9 5.33 337 210 A 24 SER H A 23 PRO HA 1.0 1.9 2.60 338 211 A 24 SER H A 24 SER HBx 1.0 1.9 3.66 339 211 A 24 SER H A 24 SER HBy 1.0 1.9 3.66 340 212 A 24 SER H A 25 LYS H 1.0 1.9 4.52 341 213 A 24 SER HA A 25 LYS H 1.0 1.9 2.60 342 214 A 24 SER HA A 25 LYS HA 1.0 1.9 4.61 343 215 A 24 SER HA A 45 GLY HAx 1.0 1.9 6.00 344 216 A 24 SER HA A 45 GLY HAy 1.0 1.9 5.85 345 216 A 24 SER HA A 45 GLY HAx 1.0 1.9 5.85 346 217 A 24 SER HA A 45 GLY HAy 1.0 1.9 6.00 347 218 A 24 SER HBx A 45 GLY HAy 1.0 1.9 6.45 348 218 A 24 SER HBy A 45 GLY HAy 1.0 1.9 6.45 349 218 A 45 GLY HAx A 24 SER HBx 1.0 1.9 6.45 350 218 A 24 SER HBy A 45 GLY HAx 1.0 1.9 6.45 351 219 A 25 LYS H A 25 LYS HBy 1.0 1.9 3.30 352 219 A 25 LYS H A 25 LYS HBx 1.0 1.9 3.30 353 220 A 25 LYS H A 25 LYS HGy 1.0 1.9 4.40 354 221 A 25 LYS H A 25 LYS HGx 1.0 1.9 4.22 355 221 A 25 LYS H A 25 LYS HGy 1.0 1.9 4.22 356 222 A 25 LYS H A 25 LYS HGx 1.0 1.9 4.40 357 223 A 25 LYS H A 25 LYS HDx 1.0 1.9 3.89 358 223 A 25 LYS H A 25 LYS HDy 1.0 1.9 3.89 359 224 A 26 ALA H A 25 LYS H 1.0 1.9 4.80 360 225 A 25 LYS H A 45 GLY H 1.0 1.9 6.00 361 226 A 25 LYS H A 45 GLY HAy 1.0 1.9 4.34 362 226 A 25 LYS H A 45 GLY HAx 1.0 1.9 4.34 363 227 A 25 LYS H A 46 ARG HA 1.0 1.9 6.00 364 228 A 26 ALA H A 25 LYS HBy 1.0 1.9 6.00 365 229 A 26 ALA H A 25 LYS HBy 1.0 1.9 5.32 366 229 A 26 ALA H A 25 LYS HBx 1.0 1.9 5.32 367 230 A 25 LYS HBy A 27 LYS HDx 1.0 1.9 5.31 368 230 A 27 LYS HDy A 25 LYS HBy 1.0 1.9 5.31 369 230 A 25 LYS HBx A 27 LYS HDy 1.0 1.9 5.31 370 230 A 25 LYS HBx A 27 LYS HDx 1.0 1.9 5.31 371 231 A 25 LYS HBy A 27 LYS HEx 1.0 1.9 4.61 372 231 A 25 LYS HBx A 27 LYS HEx 1.0 1.9 4.61 373 231 A 27 LYS HEy A 25 LYS HBy 1.0 1.9 4.61 374 231 A 27 LYS HEy A 25 LYS HBx 1.0 1.9 4.61 375 232 A 25 LYS HBy A 45 GLY HAy 1.0 1.9 6.58 376 232 A 25 LYS HBx A 45 GLY HAy 1.0 1.9 6.58 377 232 A 45 GLY HAx A 25 LYS HBy 1.0 1.9 6.58 378 232 A 45 GLY HAx A 25 LYS HBx 1.0 1.9 6.58 379 233 A 47 GLY HAy A 25 LYS HBy 1.0 1.9 4.96 380 234 A 25 LYS HBy A 47 GLY HAx 1.0 1.9 4.35 381 234 A 47 GLY HAy A 25 LYS HBy 1.0 1.9 4.35 382 234 A 25 LYS HBx A 47 GLY HAy 1.0 1.9 4.35 383 234 A 25 LYS HBx A 47 GLY HAx 1.0 1.9 4.35 384 235 A 25 LYS HBy A 47 GLY HAx 1.0 1.9 4.96 385 236 A 26 ALA H A 25 LYS HBx 1.0 1.9 6.00 386 237 A 25 LYS HBx A 47 GLY HAy 1.0 1.9 4.96 387 238 A 25 LYS HBx A 47 GLY HAx 1.0 1.9 4.96 388 239 A 25 LYS HGx A 27 LYS HEx 1.0 1.9 6.11 389 239 A 25 LYS HGy A 27 LYS HEx 1.0 1.9 6.11 390 239 A 27 LYS HEy A 25 LYS HGx 1.0 1.9 6.11 391 239 A 27 LYS HEy A 25 LYS HGy 1.0 1.9 6.11 392 240 A 48 LYS H A 25 LYS HGx 1.0 1.9 6.88 393 240 A 25 LYS HGy A 48 LYS H 1.0 1.9 6.88 394 241 A 25 LYS HDy A 47 GLY HAx 1.0 1.9 6.46 395 241 A 25 LYS HDx A 47 GLY HAx 1.0 1.9 6.46 396 241 A 47 GLY HAy A 25 LYS HDx 1.0 1.9 6.46 397 241 A 25 LYS HDy A 47 GLY HAy 1.0 1.9 6.46 398 242 A 26 ALA H A 26 ALA HB% 1.0 1.9 3.59 399 243 A 26 ALA H A 27 LYS H 1.0 1.9 4.40 400 244 A 27 LYS H A 26 ALA HA 1.0 1.9 2.53 401 245 A 26 ALA HA A 28 ARG HGy 1.0 1.9 6.34 402 245 A 28 ARG HGx A 26 ALA HA 1.0 1.9 6.34 403 246 A 26 ALA HA A 43 TRP H 1.0 1.9 4.93 404 247 A 26 ALA HA A 44 SER HA 1.0 1.9 2.45 405 248 A 26 ALA HA A 44 SER HBx 1.0 1.9 4.64 406 248 A 26 ALA HA A 44 SER HBy 1.0 1.9 4.64 407 249 A 26 ALA HB% A 44 SER HA 1.0 1.9 4.51 408 250 A 27 LYS H A 27 LYS HBx 1.0 1.9 3.48 409 250 A 27 LYS HBy A 27 LYS H 1.0 1.9 3.48 410 251 A 27 LYS H A 27 LYS HGx 1.0 1.9 4.91 411 251 A 27 LYS H A 27 LYS HGy 1.0 1.9 4.91 412 252 A 27 LYS H A 27 LYS HDx 1.0 1.9 5.71 413 252 A 27 LYS HDy A 27 LYS H 1.0 1.9 5.71 414 253 A 28 ARG H A 27 LYS H 1.0 1.9 4.50 415 254 A 27 LYS H A 43 TRP H 1.0 1.9 3.21 416 255 A 27 LYS H A 44 SER H 1.0 1.9 6.00 417 256 A 27 LYS H A 44 SER HA 1.0 1.9 3.90 418 257 A 27 LYS HA A 27 LYS HGx 1.0 1.9 3.41 419 257 A 27 LYS HA A 27 LYS HGy 1.0 1.9 3.41 420 258 A 28 ARG H A 27 LYS HA 1.0 1.9 2.49 421 259 A 29 GLU H A 27 LYS HBx 1.0 1.9 5.59 422 259 A 27 LYS HBy A 29 GLU H 1.0 1.9 5.59 423 260 A 27 LYS HBx A 29 GLU HGx 1.0 1.9 6.29 424 260 A 27 LYS HBy A 29 GLU HGx 1.0 1.9 6.29 425 260 A 29 GLU HGy A 27 LYS HBx 1.0 1.9 6.29 426 260 A 29 GLU HGy A 27 LYS HBy 1.0 1.9 6.29 427 261 A 27 LYS HBy A 48 LYS HBy 1.0 1.9 6.59 428 261 A 27 LYS HBx A 48 LYS HBy 1.0 1.9 6.59 429 261 A 48 LYS HBx A 27 LYS HBx 1.0 1.9 6.59 430 261 A 27 LYS HBy A 48 LYS HBx 1.0 1.9 6.59 431 262 A 49 ILE HA A 27 LYS HBx 1.0 1.9 5.74 432 262 A 27 LYS HBy A 49 ILE HA 1.0 1.9 5.74 433 263 A 27 LYS HBy A 49 ILE HG12 1.0 1.9 5.59 434 263 A 27 LYS HBx A 49 ILE HG12 1.0 1.9 5.59 435 263 A 49 ILE HG13 A 27 LYS HBx 1.0 1.9 5.59 436 263 A 27 LYS HBy A 49 ILE HG13 1.0 1.9 5.59 437 264 A 28 ARG H A 27 LYS HGx 1.0 1.9 5.31 438 264 A 28 ARG H A 27 LYS HGy 1.0 1.9 5.31 439 265 A 48 LYS H A 27 LYS HGx 1.0 1.9 6.88 440 265 A 48 LYS H A 27 LYS HGy 1.0 1.9 6.88 441 266 A 27 LYS HGx A 49 ILE HG12 1.0 1.9 5.65 442 266 A 27 LYS HGy A 49 ILE HG12 1.0 1.9 5.65 443 266 A 49 ILE HG13 A 27 LYS HGx 1.0 1.9 5.65 444 266 A 27 LYS HGy A 49 ILE HG13 1.0 1.9 5.65 445 267 A 48 LYS H A 27 LYS HDx 1.0 1.9 4.34 446 267 A 27 LYS HDy A 48 LYS H 1.0 1.9 4.34 447 268 A 27 LYS HDy A 49 ILE HG12 1.0 1.9 4.42 448 268 A 27 LYS HDx A 49 ILE HG12 1.0 1.9 4.42 449 268 A 49 ILE HG13 A 27 LYS HDx 1.0 1.9 4.42 450 268 A 27 LYS HDy A 49 ILE HG13 1.0 1.9 4.42 451 269 A 49 ILE HD1% A 27 LYS HDx 1.0 1.9 4.67 452 269 A 27 LYS HDy A 49 ILE HD1% 1.0 1.9 4.67 453 270 A 48 LYS H A 27 LYS HEx 1.0 1.9 6.88 454 270 A 27 LYS HEy A 48 LYS H 1.0 1.9 6.88 455 271 A 28 ARG H A 28 ARG HGy 1.0 1.9 4.31 456 272 A 28 ARG H A 28 ARG HGy 1.0 1.9 3.53 457 272 A 28 ARG H A 28 ARG HGx 1.0 1.9 3.53 458 273 A 28 ARG H A 28 ARG HGx 1.0 1.9 4.31 459 274 A 28 ARG H A 29 GLU H 1.0 1.9 4.20 460 275 A 28 ARG H A 43 TRP H 1.0 1.9 6.00 461 276 A 29 GLU H A 28 ARG HA 1.0 1.9 2.42 462 277 A 28 ARG HA A 41 ALA H 1.0 1.9 4.45 463 278 A 28 ARG HA A 42 THR H 1.0 1.9 6.00 464 279 A 28 ARG HA A 42 THR HA 1.0 1.9 2.60 465 280 A 43 TRP H A 28 ARG HA 1.0 1.9 4.09 466 281 A 42 THR HB A 28 ARG HBx 1.0 1.9 4.41 467 281 A 28 ARG HBy A 42 THR HB 1.0 1.9 4.41 468 282 A 43 TRP H A 28 ARG HBx 1.0 1.9 5.87 469 282 A 28 ARG HBy A 43 TRP H 1.0 1.9 5.87 470 283 A 42 THR HB A 28 ARG HGy 1.0 1.9 3.37 471 283 A 28 ARG HGx A 42 THR HB 1.0 1.9 3.37 472 284 A 42 THR HA A 28 ARG HDx 1.0 1.9 5.36 473 284 A 28 ARG HDy A 42 THR HA 1.0 1.9 5.36 474 285 A 29 GLU H A 29 GLU HGx 1.0 1.9 5.48 475 285 A 29 GLU HGy A 29 GLU H 1.0 1.9 5.48 476 286 A 30 ALA H A 29 GLU H 1.0 1.9 4.59 477 287 A 29 GLU H A 40 GLY HAy 1.0 1.9 4.48 478 287 A 29 GLU H A 40 GLY HAx 1.0 1.9 4.48 479 288 A 29 GLU H A 41 ALA H 1.0 1.9 3.36 480 289 A 43 TRP H A 29 GLU H 1.0 1.9 5.36 481 290 A 30 ALA H A 29 GLU HA 1.0 1.9 2.55 482 291 A 29 GLU HA A 41 ALA H 1.0 1.9 6.00 483 292 A 29 GLU HBx A 50 PRO HDx 1.0 1.9 4.68 484 292 A 50 PRO HDy A 29 GLU HBx 1.0 1.9 4.68 485 292 A 29 GLU HBy A 50 PRO HDy 1.0 1.9 4.68 486 292 A 29 GLU HBy A 50 PRO HDx 1.0 1.9 4.68 487 293 A 49 ILE HA A 29 GLU HGx 1.0 1.9 5.64 488 293 A 29 GLU HGy A 49 ILE HA 1.0 1.9 5.64 489 294 A 30 ALA H A 30 ALA HB% 1.0 1.9 3.03 490 295 A 30 ALA HA A 31 PRO HGy 1.0 1.9 5.30 491 295 A 30 ALA HA A 31 PRO HGx 1.0 1.9 5.30 492 296 A 30 ALA HA A 31 PRO HDx 1.0 1.9 3.25 493 296 A 30 ALA HA A 31 PRO HDy 1.0 1.9 3.25 494 297 A 30 ALA HA A 39 SER H 1.0 1.9 6.03 495 298 A 30 ALA HA A 39 SER HA 1.0 1.9 3.68 496 299 A 30 ALA HA A 39 SER HBy 1.0 1.9 4.65 497 300 A 30 ALA HA A 39 SER HBy 1.0 1.9 3.85 498 300 A 39 SER HBx A 30 ALA HA 1.0 1.9 3.85 499 301 A 39 SER HBx A 30 ALA HA 1.0 1.9 4.65 500 302 A 30 ALA HA A 40 GLY H 1.0 1.9 2.52 501 303 A 30 ALA HA A 40 GLY HAy 1.0 1.9 3.48 502 303 A 40 GLY HAx A 30 ALA HA 1.0 1.9 3.48 503 304 A 41 ALA H A 30 ALA HA 1.0 1.9 4.02 504 305 A 30 ALA HB% A 39 SER HA 1.0 1.9 5.14 505 306 A 30 ALA HB% A 39 SER HBy 1.0 1.9 3.60 506 306 A 30 ALA HB% A 39 SER HBx 1.0 1.9 3.60 507 307 A 30 ALA HB% A 40 GLY HAy 1.0 1.9 4.05 508 307 A 30 ALA HB% A 40 GLY HAx 1.0 1.9 4.05 509 308 A 30 ALA HB% A 40 GLY HAx 1.0 1.9 4.45 510 309 A 30 ALA HB% A 40 GLY HAy 1.0 1.9 4.45 511 310 A 31 PRO HA A 32 ILE HA 1.0 1.9 4.52 512 311 A 31 PRO HA A 53 PHE HEx 1.0 1.9 4.47 513 312 A 32 ILE HA A 31 PRO HBy 1.0 1.9 5.48 514 312 A 32 ILE HA A 31 PRO HBx 1.0 1.9 5.48 515 313 A 32 ILE HG2% A 31 PRO HBy 1.0 1.9 6.00 516 314 A 32 ILE HG2% A 31 PRO HBy 1.0 1.9 5.73 517 314 A 31 PRO HBx A 32 ILE HG2% 1.0 1.9 5.73 518 315 A 31 PRO HBy A 50 PRO HBx 1.0 1.9 5.36 519 315 A 31 PRO HBx A 50 PRO HBx 1.0 1.9 5.36 520 315 A 50 PRO HBy A 31 PRO HBy 1.0 1.9 5.36 521 315 A 31 PRO HBx A 50 PRO HBy 1.0 1.9 5.36 522 316 A 53 PHE HDx A 31 PRO HBy 1.0 1.9 3.79 523 317 A 53 PHE HDx A 31 PRO HBy 1.0 1.9 3.64 524 317 A 31 PRO HBx A 53 PHE HDx 1.0 1.9 3.64 525 318 A 53 PHE HEx A 31 PRO HBy 1.0 1.9 3.42 526 318 A 53 PHE HEx A 31 PRO HBx 1.0 1.9 3.42 527 319 A 31 PRO HBx A 32 ILE HG2% 1.0 1.9 6.00 528 320 A 31 PRO HBx A 53 PHE HDx 1.0 1.9 3.79 529 321 A 32 ILE H A 31 PRO HGy 1.0 1.9 3.93 530 322 A 31 PRO HGy A 36 LEU HBy 1.0 1.9 7.07 531 323 A 31 PRO HGy A 36 LEU HBy 1.0 1.9 5.49 532 323 A 31 PRO HGx A 36 LEU HBy 1.0 1.9 5.49 533 323 A 36 LEU HBx A 31 PRO HGy 1.0 1.9 5.49 534 323 A 31 PRO HGx A 36 LEU HBx 1.0 1.9 5.49 535 324 A 36 LEU HBx A 31 PRO HGy 1.0 1.9 7.07 536 325 A 39 SER HA A 31 PRO HGy 1.0 1.9 4.48 537 325 A 31 PRO HGx A 39 SER HA 1.0 1.9 4.48 538 326 A 31 PRO HGy A 39 SER HBy 1.0 1.9 7.75 539 326 A 31 PRO HGx A 39 SER HBy 1.0 1.9 7.75 540 326 A 39 SER HBx A 31 PRO HGy 1.0 1.9 7.75 541 326 A 39 SER HBx A 31 PRO HGx 1.0 1.9 7.75 542 327 A 40 GLY H A 31 PRO HGy 1.0 1.9 4.88 543 327 A 31 PRO HGx A 40 GLY H 1.0 1.9 4.88 544 328 A 53 PHE HEx A 31 PRO HGy 1.0 1.9 4.00 545 328 A 31 PRO HGx A 53 PHE HEx 1.0 1.9 4.00 546 329 A 31 PRO HGx A 32 ILE H 1.0 1.9 3.93 547 330 A 31 PRO HGx A 36 LEU HBy 1.0 1.9 7.07 548 331 A 31 PRO HGx A 36 LEU HBx 1.0 1.9 7.07 549 332 A 39 SER HA A 31 PRO HDx 1.0 1.9 3.18 550 332 A 31 PRO HDy A 39 SER HA 1.0 1.9 3.18 551 333 A 31 PRO HDy A 40 GLY HAy 1.0 1.9 5.75 552 333 A 31 PRO HDx A 40 GLY HAy 1.0 1.9 5.75 553 333 A 40 GLY HAx A 31 PRO HDx 1.0 1.9 5.75 554 333 A 40 GLY HAx A 31 PRO HDy 1.0 1.9 5.75 555 334 A 41 ALA H A 31 PRO HDx 1.0 1.9 5.08 556 334 A 41 ALA H A 31 PRO HDy 1.0 1.9 5.08 557 335 A 32 ILE H A 32 ILE HB 1.0 1.9 4.10 558 336 A 32 ILE H A 32 ILE HG13 1.0 1.9 2.97 559 337 A 32 ILE HG2% A 32 ILE H 1.0 1.9 4.24 560 338 A 32 ILE H A 32 ILE HD1% 1.0 1.9 5.15 561 339 A 32 ILE H A 33 LYS H 1.0 1.9 4.44 562 340 A 32 ILE H A 39 SER HBy 1.0 1.9 5.93 563 340 A 39 SER HBx A 32 ILE H 1.0 1.9 5.93 564 341 A 53 PHE HEx A 32 ILE H 1.0 1.9 3.45 565 342 A 32 ILE HA A 32 ILE HB 1.0 1.9 2.60 566 343 A 32 ILE HA A 32 ILE HG13 1.0 1.9 3.94 567 344 A 32 ILE HA A 32 ILE HG2% 1.0 1.9 3.08 568 345 A 32 ILE HA A 33 LYS H 1.0 1.9 2.44 569 346 A 32 ILE HA A 34 TYR HBx 1.0 1.9 6.58 570 346 A 32 ILE HA A 34 TYR HBy 1.0 1.9 6.58 571 347 A 32 ILE HA A 39 SER HBy 1.0 1.9 4.59 572 347 A 39 SER HBx A 32 ILE HA 1.0 1.9 4.59 573 348 A 32 ILE HA A 65 TRP HH2 1.0 1.9 3.91 574 349 A 32 ILE HA A 65 TRP HZ2 1.0 1.9 2.89 575 350 A 73 LYS HA A 32 ILE HA 1.0 1.9 6.00 576 351 A 32 ILE HA A 73 LYS HGx 1.0 1.9 4.10 577 351 A 73 LYS HGy A 32 ILE HA 1.0 1.9 4.10 578 352 A 32 ILE HB A 32 ILE HG12 1.0 1.9 2.63 579 353 A 32 ILE HB A 32 ILE HD1% 1.0 1.9 3.04 580 354 A 32 ILE HB A 34 TYR H 1.0 1.9 2.50 581 355 A 32 ILE HB A 34 TYR HBx 1.0 1.9 4.22 582 355 A 32 ILE HB A 34 TYR HBy 1.0 1.9 4.22 583 356 A 32 ILE HB A 65 TRP HE1 1.0 1.9 6.00 584 357 A 32 ILE HB A 65 TRP HH2 1.0 1.9 6.00 585 358 A 32 ILE HB A 65 TRP HZ2 1.0 1.9 2.57 586 359 A 32 ILE HB A 73 LYS HBy 1.0 1.9 6.88 587 359 A 32 ILE HB A 73 LYS HBx 1.0 1.9 6.88 588 360 A 32 ILE HG13 A 36 LEU HG 1.0 1.9 5.05 589 361 A 53 PHE HEx A 32 ILE HG13 1.0 1.9 3.27 590 362 A 32 ILE HG13 A 57 ILE HG2% 1.0 1.9 3.61 591 363 A 32 ILE HG12 A 36 LEU H 1.0 1.9 3.51 592 364 A 32 ILE HG12 A 36 LEU HBy 1.0 1.9 6.18 593 364 A 36 LEU HBx A 32 ILE HG12 1.0 1.9 6.18 594 365 A 32 ILE HG12 A 36 LEU HG 1.0 1.9 4.30 595 366 A 53 PHE HEx A 32 ILE HG12 1.0 1.9 4.26 596 367 A 32 ILE HG2% A 32 ILE HD1% 1.0 1.9 3.54 597 368 A 32 ILE HG2% A 65 TRP HZ2 1.0 1.9 4.58 598 369 A 32 ILE HG2% A 65 TRP HZ2 1.0 1.9 3.27 599 370 A 73 LYS HGy A 32 ILE HG2% 1.0 1.9 3.43 600 370 A 32 ILE HG2% A 73 LYS HGx 1.0 1.9 3.43 601 371 A 32 ILE HG2% A 57 ILE HG2% 1.0 1.9 3.66 602 372 A 32 ILE HG2% A 73 LYS HEy 1.0 1.9 5.18 603 372 A 32 ILE HG2% A 73 LYS HEx 1.0 1.9 5.18 604 373 A 32 ILE HG2% A 65 TRP HE1 1.0 1.9 2.79 605 374 A 32 ILE HD1% A 35 TRP HBy 1.0 1.9 4.49 606 374 A 32 ILE HD1% A 35 TRP HBx 1.0 1.9 4.49 607 375 A 32 ILE HD1% A 57 ILE HB 1.0 1.9 4.25 608 376 A 32 ILE HD1% A 57 ILE HG2% 1.0 1.9 3.31 609 377 A 32 ILE HD1% A 57 ILE HD1% 1.0 1.9 5.20 610 378 A 33 LYS H A 33 LYS HDx 1.0 1.9 5.78 611 378 A 33 LYS HDy A 33 LYS H 1.0 1.9 5.78 612 379 A 33 LYS H A 34 TYR H 1.0 1.9 2.40 613 380 A 39 SER HA A 33 LYS H 1.0 1.9 6.00 614 381 A 33 LYS H A 65 TRP HE1 1.0 1.9 6.00 615 382 A 69 HIS HE1 A 33 LYS H 1.0 1.9 6.00 616 383 A 33 LYS H A 73 LYS HBy 1.0 1.9 5.42 617 383 A 33 LYS H A 73 LYS HBx 1.0 1.9 5.42 618 384 A 33 LYS HA A 33 LYS HDx 1.0 1.9 4.25 619 384 A 33 LYS HDy A 33 LYS HA 1.0 1.9 4.25 620 385 A 33 LYS HA A 33 LYS HEy 1.0 1.9 5.73 621 385 A 33 LYS HEx A 33 LYS HA 1.0 1.9 5.73 622 386 A 36 LEU H A 33 LYS HA 1.0 1.9 3.40 623 387 A 33 LYS HA A 36 LEU HBy 1.0 1.9 5.65 624 387 A 36 LEU HBx A 33 LYS HA 1.0 1.9 5.65 625 388 A 33 LYS HA A 39 SER HBy 1.0 1.9 5.38 626 388 A 39 SER HBx A 33 LYS HA 1.0 1.9 5.38 627 389 A 33 LYS HBy A 39 SER HBy 1.0 1.9 5.75 628 389 A 33 LYS HBx A 39 SER HBy 1.0 1.9 5.75 629 389 A 39 SER HBx A 33 LYS HBx 1.0 1.9 5.75 630 389 A 39 SER HBx A 33 LYS HBy 1.0 1.9 5.75 631 390 A 69 HIS HE1 A 33 LYS HBx 1.0 1.9 4.52 632 390 A 69 HIS HE1 A 33 LYS HBy 1.0 1.9 4.52 633 391 A 34 TYR H A 33 LYS HGx 1.0 1.9 5.08 634 391 A 33 LYS HGy A 34 TYR H 1.0 1.9 5.08 635 392 A 69 HIS HE1 A 33 LYS HGx 1.0 1.9 6.88 636 392 A 33 LYS HGy A 69 HIS HE1 1.0 1.9 6.88 637 393 A 37 PRO HA A 33 LYS HDx 1.0 1.9 4.86 638 393 A 33 LYS HDy A 37 PRO HA 1.0 1.9 4.86 639 394 A 38 HIS H A 33 LYS HDx 1.0 1.9 4.68 640 394 A 33 LYS HDy A 38 HIS H 1.0 1.9 4.68 641 395 A 38 HIS HA A 33 LYS HDx 1.0 1.9 4.55 642 395 A 33 LYS HDy A 38 HIS HA 1.0 1.9 4.55 643 396 A 38 HIS HD2 A 33 LYS HDx 1.0 1.9 6.99 644 396 A 33 LYS HDy A 38 HIS HD2 1.0 1.9 6.99 645 397 A 38 HIS HA A 33 LYS HEy 1.0 1.9 3.41 646 397 A 33 LYS HEx A 38 HIS HA 1.0 1.9 3.41 647 398 A 38 HIS HBy A 33 LYS HEy 1.0 1.9 7.55 648 399 A 33 LYS HEy A 38 HIS HBx 1.0 1.9 6.26 649 399 A 33 LYS HEx A 38 HIS HBx 1.0 1.9 6.26 650 399 A 38 HIS HBy A 33 LYS HEy 1.0 1.9 6.26 651 399 A 33 LYS HEx A 38 HIS HBy 1.0 1.9 6.26 652 400 A 33 LYS HEy A 38 HIS HBx 1.0 1.9 7.55 653 401 A 39 SER H A 33 LYS HEy 1.0 1.9 4.42 654 401 A 33 LYS HEx A 39 SER H 1.0 1.9 4.42 655 402 A 33 LYS HEy A 39 SER HBy 1.0 1.9 5.97 656 402 A 33 LYS HEx A 39 SER HBy 1.0 1.9 5.97 657 402 A 39 SER HBx A 33 LYS HEy 1.0 1.9 5.97 658 402 A 33 LYS HEx A 39 SER HBx 1.0 1.9 5.97 659 403 A 33 LYS HEx A 38 HIS HBy 1.0 1.9 7.55 660 404 A 33 LYS HEx A 38 HIS HBx 1.0 1.9 7.55 661 405 A 34 TYR H A 35 TRP H 1.0 1.9 2.69 662 406 A 65 TRP HZ2 A 34 TYR HA 1.0 1.9 5.38 663 407 A 36 LEU H A 34 TYR HBx 1.0 1.9 5.88 664 407 A 34 TYR HBy A 36 LEU H 1.0 1.9 5.88 665 408 A 34 TYR HBx A 68 LYS HBy 1.0 1.9 7.56 666 408 A 34 TYR HBy A 68 LYS HBy 1.0 1.9 7.56 667 408 A 68 LYS HBx A 34 TYR HBx 1.0 1.9 7.56 668 408 A 34 TYR HBy A 68 LYS HBx 1.0 1.9 7.56 669 409 A 34 TYR HDx A 69 HIS HBx 1.0 1.9 6.88 670 409 A 34 TYR HDx A 69 HIS HBy 1.0 1.9 6.88 671 410 A 34 TYR HEx A 68 LYS HDy 1.0 1.9 4.76 672 410 A 34 TYR HEx A 68 LYS HDx 1.0 1.9 4.76 673 411 A 35 TRP HA A 36 LEU HA 1.0 1.9 4.70 674 412 A 36 LEU H A 35 TRP HBx 1.0 1.9 3.58 675 412 A 36 LEU H A 35 TRP HBy 1.0 1.9 3.58 676 413 A 36 LEU H A 36 LEU HBy 1.0 1.9 3.33 677 413 A 36 LEU HBx A 36 LEU H 1.0 1.9 3.33 678 414 A 36 LEU HG A 36 LEU H 1.0 1.9 3.15 679 415 A 36 LEU H A 36 LEU HDx% 1.0 1.9 4.90 680 416 A 36 LEU H A 36 LEU HDx% 1.0 1.9 4.49 681 416 A 36 LEU H A 36 LEU HDy% 1.0 1.9 4.49 682 417 A 36 LEU H A 36 LEU HDy% 1.0 1.9 4.90 683 418 A 36 LEU HG A 36 LEU HA 1.0 1.9 3.81 684 419 A 36 LEU HA A 36 LEU HDy% 1.0 1.9 3.28 685 420 A 37 PRO HA A 36 LEU HA 1.0 1.9 4.53 686 421 A 38 HIS H A 36 LEU HA 1.0 1.9 4.08 687 422 A 38 HIS H A 36 LEU HBy 1.0 1.9 3.88 688 422 A 36 LEU HBx A 38 HIS H 1.0 1.9 3.88 689 423 A 53 PHE HEx A 36 LEU HDx% 1.0 1.9 5.77 690 423 A 53 PHE HEx A 36 LEU HDy% 1.0 1.9 5.77 691 424 A 37 PRO HBy A 38 HIS HBx 1.0 1.9 5.64 692 424 A 38 HIS HBy A 37 PRO HBx 1.0 1.9 5.64 693 424 A 38 HIS HBy A 37 PRO HBy 1.0 1.9 5.64 694 424 A 37 PRO HBx A 38 HIS HBx 1.0 1.9 5.64 695 425 A 38 HIS H A 38 HIS HBy 1.0 1.9 2.93 696 426 A 38 HIS H A 38 HIS HBx 1.0 1.9 2.60 697 426 A 38 HIS H A 38 HIS HBy 1.0 1.9 2.60 698 427 A 38 HIS H A 38 HIS HBx 1.0 1.9 2.93 699 428 A 39 SER H A 38 HIS H 1.0 1.9 4.78 700 429 A 38 HIS HA A 38 HIS HD2 1.0 1.9 3.51 701 430 A 39 SER H A 38 HIS HA 1.0 1.9 2.58 702 431 A 39 SER H A 38 HIS HBx 1.0 1.9 5.52 703 431 A 39 SER H A 38 HIS HBy 1.0 1.9 5.52 704 432 A 40 GLY H A 38 HIS HBx 1.0 1.9 6.88 705 432 A 40 GLY H A 38 HIS HBy 1.0 1.9 6.88 706 433 A 39 SER H A 39 SER HBy 1.0 1.9 3.78 707 434 A 39 SER H A 39 SER HBy 1.0 1.9 3.20 708 434 A 39 SER HBx A 39 SER H 1.0 1.9 3.20 709 435 A 39 SER HBx A 39 SER H 1.0 1.9 3.78 710 436 A 39 SER H A 40 GLY H 1.0 1.9 4.84 711 437 A 39 SER HA A 39 SER HBy 1.0 1.9 2.71 712 437 A 39 SER HBx A 39 SER HA 1.0 1.9 2.71 713 438 A 39 SER HA A 40 GLY H 1.0 1.9 2.88 714 439 A 40 GLY H A 40 GLY HAy 1.0 1.9 2.60 715 439 A 40 GLY HAx A 40 GLY H 1.0 1.9 2.60 716 440 A 41 ALA H A 40 GLY H 1.0 1.9 3.35 717 441 A 41 ALA H A 40 GLY HAy 1.0 1.9 3.06 718 441 A 41 ALA H A 40 GLY HAx 1.0 1.9 3.06 719 442 A 41 ALA H A 41 ALA HB% 1.0 1.9 3.21 720 443 A 41 ALA H A 42 THR H 1.0 1.9 4.57 721 444 A 42 THR H A 41 ALA HA 1.0 1.9 2.50 722 445 A 42 THR H A 41 ALA HB% 1.0 1.9 4.67 723 446 A 41 ALA HB% A 43 TRP HBx 1.0 1.9 6.28 724 446 A 41 ALA HB% A 43 TRP HBy 1.0 1.9 6.28 725 447 A 42 THR H A 42 THR HB 1.0 1.9 2.92 726 448 A 42 THR H A 42 THR HG2% 1.0 1.9 3.01 727 449 A 43 TRP H A 42 THR H 1.0 1.9 4.67 728 450 A 42 THR HA A 42 THR HB 1.0 1.9 3.00 729 451 A 43 TRP H A 42 THR HA 1.0 1.9 2.52 730 452 A 43 TRP H A 42 THR HB 1.0 1.9 4.40 731 453 A 43 TRP H A 43 TRP HBx 1.0 1.9 3.51 732 453 A 43 TRP H A 43 TRP HBy 1.0 1.9 3.51 733 454 A 43 TRP H A 44 SER H 1.0 1.9 4.47 734 455 A 43 TRP H A 48 LYS HGx 1.0 1.9 6.88 735 455 A 43 TRP H A 48 LYS HGy 1.0 1.9 6.88 736 456 A 43 TRP HA A 48 LYS HEx 1.0 1.9 5.78 737 456 A 43 TRP HA A 48 LYS HEy 1.0 1.9 5.78 738 457 A 43 TRP HBy A 48 LYS HBy 1.0 1.9 6.26 739 458 A 43 TRP HBy A 48 LYS HBy 1.0 1.9 4.62 740 458 A 48 LYS HBx A 43 TRP HBx 1.0 1.9 4.62 741 458 A 48 LYS HBx A 43 TRP HBy 1.0 1.9 4.62 742 458 A 43 TRP HBx A 48 LYS HBy 1.0 1.9 4.62 743 459 A 48 LYS HBx A 43 TRP HBy 1.0 1.9 6.26 744 460 A 43 TRP HBx A 48 LYS HGx 1.0 1.9 4.29 745 460 A 43 TRP HBy A 48 LYS HGx 1.0 1.9 4.29 746 460 A 48 LYS HGy A 43 TRP HBx 1.0 1.9 4.29 747 460 A 43 TRP HBy A 48 LYS HGy 1.0 1.9 4.29 748 461 A 43 TRP HBx A 48 LYS HBy 1.0 1.9 6.26 749 462 A 48 LYS HBx A 43 TRP HBx 1.0 1.9 6.26 750 463 A 46 ARG HA A 43 TRP HE1 1.0 1.9 4.78 751 464 A 43 TRP HE1 A 46 ARG HBx 1.0 1.9 3.96 752 464 A 43 TRP HE1 A 46 ARG HBy 1.0 1.9 3.96 753 465 A 48 LYS H A 43 TRP HE1 1.0 1.9 6.00 754 466 A 43 TRP HE3 A 48 LYS HBy 1.0 1.9 4.45 755 466 A 48 LYS HBx A 43 TRP HE3 1.0 1.9 4.45 756 467 A 43 TRP HE3 A 48 LYS HDx 1.0 1.9 4.00 757 467 A 43 TRP HE3 A 48 LYS HDy 1.0 1.9 4.00 758 468 A 43 TRP HH2 A 46 ARG HBx 1.0 1.9 6.88 759 468 A 46 ARG HBy A 43 TRP HH2 1.0 1.9 6.88 760 469 A 43 TRP HH2 A 46 ARG HGx 1.0 1.9 5.53 761 469 A 43 TRP HH2 A 46 ARG HGy 1.0 1.9 5.53 762 470 A 43 TRP HH2 A 46 ARG HDx 1.0 1.9 6.88 763 470 A 43 TRP HH2 A 46 ARG HDy 1.0 1.9 6.88 764 471 A 43 TRP HH2 A 48 LYS HBy 1.0 1.9 6.88 765 471 A 48 LYS HBx A 43 TRP HH2 1.0 1.9 6.88 766 472 A 43 TRP HZ2 A 46 ARG HBx 1.0 1.9 3.91 767 472 A 46 ARG HBy A 43 TRP HZ2 1.0 1.9 3.91 768 473 A 43 TRP HZ2 A 46 ARG HGx 1.0 1.9 5.12 769 473 A 46 ARG HGy A 43 TRP HZ2 1.0 1.9 5.12 770 474 A 44 SER HA A 44 SER HBx 1.0 1.9 2.72 771 474 A 44 SER HA A 44 SER HBy 1.0 1.9 2.72 772 475 A 45 GLY H A 44 SER HA 1.0 1.9 2.70 773 476 A 44 SER HA A 45 GLY HAy 1.0 1.9 5.48 774 476 A 45 GLY HAx A 44 SER HA 1.0 1.9 5.48 775 477 A 45 GLY HAx A 46 ARG HBx 1.0 1.9 6.14 776 477 A 45 GLY HAy A 46 ARG HBx 1.0 1.9 6.14 777 477 A 46 ARG HBy A 45 GLY HAy 1.0 1.9 6.14 778 477 A 45 GLY HAx A 46 ARG HBy 1.0 1.9 6.14 779 478 A 46 ARG HA A 46 ARG HGx 1.0 1.9 3.40 780 478 A 46 ARG HA A 46 ARG HGy 1.0 1.9 3.40 781 479 A 46 ARG HA A 46 ARG HDx 1.0 1.9 4.33 782 479 A 46 ARG HA A 46 ARG HDy 1.0 1.9 4.33 783 480 A 46 ARG HA A 47 GLY H 1.0 1.9 2.73 784 481 A 46 ARG HBx A 46 ARG HDx 1.0 1.9 3.60 785 481 A 46 ARG HBy A 46 ARG HDx 1.0 1.9 3.60 786 481 A 46 ARG HDy A 46 ARG HBx 1.0 1.9 3.60 787 481 A 46 ARG HBy A 46 ARG HDy 1.0 1.9 3.60 788 482 A 46 ARG HBy A 47 GLY H 1.0 1.9 4.26 789 483 A 46 ARG HBy A 48 LYS HBy 1.0 1.9 6.08 790 483 A 46 ARG HBx A 48 LYS HBy 1.0 1.9 6.08 791 483 A 48 LYS HBx A 46 ARG HBx 1.0 1.9 6.08 792 483 A 48 LYS HBx A 46 ARG HBy 1.0 1.9 6.08 793 484 A 46 ARG HBx A 48 LYS HGx 1.0 1.9 7.75 794 484 A 46 ARG HBy A 48 LYS HGx 1.0 1.9 7.75 795 484 A 48 LYS HGy A 46 ARG HBx 1.0 1.9 7.75 796 484 A 48 LYS HGy A 46 ARG HBy 1.0 1.9 7.75 797 485 A 47 GLY H A 46 ARG HBx 1.0 1.9 4.26 798 486 A 47 GLY H A 46 ARG HGx 1.0 1.9 3.36 799 486 A 46 ARG HGy A 47 GLY H 1.0 1.9 3.36 800 487 A 46 ARG HDx A 47 GLY HAx 1.0 1.9 6.02 801 487 A 46 ARG HDy A 47 GLY HAx 1.0 1.9 6.02 802 487 A 47 GLY HAy A 46 ARG HDx 1.0 1.9 6.02 803 487 A 47 GLY HAy A 46 ARG HDy 1.0 1.9 6.02 804 488 A 48 LYS H A 46 ARG HDx 1.0 1.9 4.12 805 488 A 48 LYS H A 46 ARG HDy 1.0 1.9 4.12 806 489 A 48 LYS HA A 46 ARG HDx 1.0 1.9 3.90 807 489 A 46 ARG HDy A 48 LYS HA 1.0 1.9 3.90 808 490 A 46 ARG HDx A 48 LYS HBy 1.0 1.9 4.34 809 490 A 48 LYS HBx A 46 ARG HDx 1.0 1.9 4.34 810 490 A 48 LYS HBx A 46 ARG HDy 1.0 1.9 4.34 811 490 A 46 ARG HDy A 48 LYS HBy 1.0 1.9 4.34 812 491 A 47 GLY H A 47 GLY HAx 1.0 1.9 2.60 813 491 A 47 GLY HAy A 47 GLY H 1.0 1.9 2.60 814 492 A 48 LYS H A 47 GLY H 1.0 1.9 4.29 815 493 A 49 ILE HD1% A 47 GLY HAx 1.0 1.9 4.63 816 493 A 47 GLY HAy A 49 ILE HD1% 1.0 1.9 4.63 817 494 A 48 LYS H A 48 LYS HDx 1.0 1.9 5.09 818 494 A 48 LYS H A 48 LYS HDy 1.0 1.9 5.09 819 495 A 48 LYS H A 49 ILE H 1.0 1.9 4.55 820 496 A 48 LYS HA A 49 ILE H 1.0 1.9 2.50 821 497 A 48 LYS HA A 50 PRO HDx 1.0 1.9 6.26 822 497 A 50 PRO HDy A 48 LYS HA 1.0 1.9 6.26 823 498 A 49 ILE H A 48 LYS HBy 1.0 1.9 4.79 824 499 A 49 ILE H A 48 LYS HBy 1.0 1.9 4.63 825 499 A 48 LYS HBx A 49 ILE H 1.0 1.9 4.63 826 500 A 48 LYS HBx A 49 ILE H 1.0 1.9 4.79 827 501 A 49 ILE H A 48 LYS HGx 1.0 1.9 6.88 828 501 A 48 LYS HGy A 49 ILE H 1.0 1.9 6.88 829 502 A 49 ILE HA A 48 LYS HGx 1.0 1.9 5.72 830 502 A 49 ILE HA A 48 LYS HGy 1.0 1.9 5.72 831 503 A 49 ILE H A 48 LYS HDx 1.0 1.9 5.77 832 503 A 48 LYS HDy A 49 ILE H 1.0 1.9 5.77 833 504 A 48 LYS HDy A 50 PRO HDx 1.0 1.9 4.17 834 504 A 48 LYS HDx A 50 PRO HDx 1.0 1.9 4.17 835 504 A 50 PRO HDy A 48 LYS HDx 1.0 1.9 4.17 836 504 A 50 PRO HDy A 48 LYS HDy 1.0 1.9 4.17 837 505 A 49 ILE H A 49 ILE HB 1.0 1.9 2.79 838 506 A 49 ILE HG13 A 49 ILE H 1.0 1.9 6.00 839 507 A 49 ILE H A 49 ILE HG12 1.0 1.9 5.41 840 507 A 49 ILE HG13 A 49 ILE H 1.0 1.9 5.41 841 508 A 49 ILE H A 49 ILE HG12 1.0 1.9 6.00 842 509 A 49 ILE HD1% A 49 ILE H 1.0 1.9 4.58 843 510 A 49 ILE HA A 49 ILE HG12 1.0 1.9 3.47 844 510 A 49 ILE HA A 49 ILE HG13 1.0 1.9 3.47 845 511 A 49 ILE HA A 49 ILE HG2% 1.0 1.9 3.20 846 512 A 49 ILE HA A 49 ILE HD1% 1.0 1.9 4.27 847 513 A 49 ILE HA A 50 PRO HDx 1.0 1.9 3.25 848 513 A 49 ILE HA A 50 PRO HDy 1.0 1.9 3.25 849 514 A 49 ILE HB A 51 LYS HBx 1.0 1.9 4.40 850 514 A 49 ILE HB A 51 LYS HBy 1.0 1.9 4.40 851 515 A 49 ILE HG2% A 50 PRO HA 1.0 1.9 5.49 852 516 A 50 PRO HA A 51 LYS H 1.0 1.9 2.60 853 517 A 50 PRO HA A 52 PRO HDx 1.0 1.9 4.12 854 517 A 50 PRO HA A 52 PRO HDy 1.0 1.9 4.12 855 518 A 50 PRO HA A 53 PHE H 1.0 1.9 3.28 856 519 A 50 PRO HA A 54 GLU H 1.0 1.9 4.38 857 520 A 50 PRO HA A 54 GLU HBx 1.0 1.9 5.82 858 520 A 50 PRO HA A 54 GLU HBy 1.0 1.9 5.82 859 521 A 50 PRO HBx A 53 PHE HBy 1.0 1.9 4.51 860 521 A 53 PHE HBx A 50 PRO HBx 1.0 1.9 4.51 861 521 A 50 PRO HBy A 53 PHE HBx 1.0 1.9 4.51 862 521 A 50 PRO HBy A 53 PHE HBy 1.0 1.9 4.51 863 522 A 54 GLU H A 50 PRO HBx 1.0 1.9 4.18 864 522 A 50 PRO HBy A 54 GLU H 1.0 1.9 4.18 865 523 A 50 PRO HBx A 54 GLU HBx 1.0 1.9 5.17 866 523 A 50 PRO HBy A 54 GLU HBx 1.0 1.9 5.17 867 523 A 54 GLU HBy A 50 PRO HBx 1.0 1.9 5.17 868 523 A 50 PRO HBy A 54 GLU HBy 1.0 1.9 5.17 869 524 A 51 LYS H A 51 LYS HBx 1.0 1.9 3.34 870 524 A 51 LYS HBy A 51 LYS H 1.0 1.9 3.34 871 525 A 51 LYS H A 52 PRO HGx 1.0 1.9 5.67 872 525 A 51 LYS H A 52 PRO HGy 1.0 1.9 5.67 873 526 A 51 LYS H A 52 PRO HDx 1.0 1.9 3.53 874 526 A 51 LYS H A 52 PRO HDy 1.0 1.9 3.53 875 527 A 51 LYS H A 54 GLU HBx 1.0 1.9 6.88 876 527 A 51 LYS H A 54 GLU HBy 1.0 1.9 6.88 877 528 A 54 GLU H A 51 LYS HA 1.0 1.9 3.67 878 529 A 51 LYS HA A 55 ALA H 1.0 1.9 4.81 879 530 A 79 GLY H A 51 LYS HBx 1.0 1.9 6.88 880 530 A 51 LYS HBy A 79 GLY H 1.0 1.9 6.88 881 531 A 54 GLU H A 52 PRO HA 1.0 1.9 4.98 882 532 A 55 ALA H A 52 PRO HA 1.0 1.9 3.92 883 533 A 52 PRO HA A 55 ALA HB% 1.0 1.9 3.83 884 534 A 52 PRO HA A 56 TRP H 1.0 1.9 4.92 885 535 A 53 PHE H A 52 PRO HBx 1.0 1.9 4.12 886 535 A 53 PHE H A 52 PRO HBy 1.0 1.9 4.12 887 536 A 53 PHE H A 52 PRO HDx 1.0 1.9 4.47 888 536 A 52 PRO HDy A 53 PHE H 1.0 1.9 4.47 889 537 A 53 PHE H A 53 PHE HBy 1.0 1.9 2.97 890 538 A 53 PHE H A 53 PHE HBy 1.0 1.9 2.55 891 538 A 53 PHE H A 53 PHE HBx 1.0 1.9 2.55 892 539 A 53 PHE H A 53 PHE HBx 1.0 1.9 2.97 893 540 A 53 PHE HDx A 53 PHE H 1.0 1.9 5.00 894 541 A 53 PHE H A 54 GLU H 1.0 1.9 2.60 895 542 A 53 PHE H A 54 GLU HBx 1.0 1.9 5.96 896 542 A 53 PHE H A 54 GLU HBy 1.0 1.9 5.96 897 543 A 53 PHE H A 55 ALA H 1.0 1.9 3.67 898 544 A 53 PHE H A 56 TRP H 1.0 1.9 5.04 899 545 A 53 PHE HA A 53 PHE HBy 1.0 1.9 3.01 900 546 A 53 PHE HBx A 53 PHE HA 1.0 1.9 3.01 901 547 A 55 ALA H A 53 PHE HA 1.0 1.9 4.44 902 548 A 56 TRP H A 53 PHE HA 1.0 1.9 4.25 903 549 A 53 PHE HA A 56 TRP HBx 1.0 1.9 4.01 904 549 A 53 PHE HA A 56 TRP HBy 1.0 1.9 4.01 905 550 A 53 PHE HA A 57 ILE H 1.0 1.9 4.69 906 551 A 53 PHE HDx A 53 PHE HBy 1.0 1.9 3.04 907 551 A 53 PHE HDx A 53 PHE HBx 1.0 1.9 3.04 908 552 A 53 PHE HEx A 53 PHE HBy 1.0 1.9 5.20 909 552 A 53 PHE HEx A 53 PHE HBx 1.0 1.9 5.20 910 553 A 54 GLU H A 53 PHE HBy 1.0 1.9 4.00 911 554 A 54 GLU H A 53 PHE HBy 1.0 1.9 3.34 912 554 A 54 GLU H A 53 PHE HBx 1.0 1.9 3.34 913 555 A 54 GLU H A 53 PHE HBx 1.0 1.9 4.00 914 556 A 53 PHE HDx A 54 GLU H 1.0 1.9 3.20 915 557 A 53 PHE HDx A 54 GLU HA 1.0 1.9 3.80 916 558 A 53 PHE HEx A 57 ILE HG2% 1.0 1.9 5.00 917 559 A 53 PHE HEx A 73 LYS HGx 1.0 1.9 6.88 918 559 A 73 LYS HGy A 53 PHE HEx 1.0 1.9 6.88 919 560 A 57 ILE HD1% A 53 PHE HEy 1.0 1.9 3.36 920 561 A 57 ILE H A 53 PHE HDy 1.0 1.9 5.05 921 562 A 53 PHE HDy A 57 ILE HG12 1.0 1.9 5.52 922 562 A 53 PHE HDy A 57 ILE HG1y 1.0 1.9 5.52 923 563 A 54 GLU H A 54 GLU HBy 1.0 1.9 2.85 924 564 A 54 GLU H A 54 GLU HBx 1.0 1.9 2.63 925 564 A 54 GLU H A 54 GLU HBy 1.0 1.9 2.63 926 565 A 54 GLU H A 54 GLU HBx 1.0 1.9 2.85 927 566 A 54 GLU H A 54 GLU HGx 1.0 1.9 5.38 928 566 A 54 GLU H A 54 GLU HGy 1.0 1.9 5.38 929 567 A 54 GLU H A 55 ALA H 1.0 1.9 2.82 930 568 A 54 GLU H A 56 TRP H 1.0 1.9 4.89 931 569 A 54 GLU H A 57 ILE H 1.0 1.9 5.03 932 570 A 55 ALA H A 54 GLU HA 1.0 1.9 3.60 933 571 A 56 TRP H A 54 GLU HA 1.0 1.9 4.68 934 572 A 57 ILE H A 54 GLU HA 1.0 1.9 3.51 935 573 A 57 ILE HB A 54 GLU HA 1.0 1.9 4.50 936 574 A 54 GLU HA A 57 ILE HG2% 1.0 1.9 4.94 937 575 A 54 GLU HA A 58 GLY H 1.0 1.9 4.77 938 576 A 55 ALA H A 54 GLU HBx 1.0 1.9 4.11 939 576 A 54 GLU HBy A 55 ALA H 1.0 1.9 4.11 940 577 A 55 ALA HA A 54 GLU HBx 1.0 1.9 5.88 941 577 A 54 GLU HBy A 55 ALA HA 1.0 1.9 5.88 942 578 A 54 GLU HBy A 73 LYS HGx 1.0 1.9 6.56 943 578 A 54 GLU HBx A 73 LYS HGx 1.0 1.9 6.56 944 578 A 73 LYS HGy A 54 GLU HBx 1.0 1.9 6.56 945 578 A 73 LYS HGy A 54 GLU HBy 1.0 1.9 6.56 946 579 A 57 ILE HB A 54 GLU HGx 1.0 1.9 5.44 947 579 A 57 ILE HB A 54 GLU HGy 1.0 1.9 5.44 948 580 A 54 GLU HGy A 58 GLY HAx 1.0 1.9 5.96 949 580 A 58 GLY HAy A 54 GLU HGx 1.0 1.9 5.96 950 580 A 54 GLU HGy A 58 GLY HAy 1.0 1.9 5.96 951 580 A 54 GLU HGx A 58 GLY HAx 1.0 1.9 5.96 952 581 A 55 ALA H A 55 ALA HB% 1.0 1.9 2.80 953 582 A 55 ALA H A 56 TRP H 1.0 1.9 2.83 954 583 A 55 ALA H A 57 ILE H 1.0 1.9 3.68 955 584 A 55 ALA H A 78 PRO HA 1.0 1.9 6.00 956 585 A 55 ALA HA A 56 TRP HA 1.0 1.9 4.74 957 586 A 57 ILE H A 55 ALA HA 1.0 1.9 4.93 958 587 A 58 GLY H A 55 ALA HA 1.0 1.9 4.10 959 588 A 55 ALA HA A 59 THR H 1.0 1.9 4.63 960 589 A 55 ALA HA A 73 LYS HEx 1.0 1.9 6.88 961 589 A 73 LYS HEy A 55 ALA HA 1.0 1.9 6.88 962 590 A 55 ALA HA A 76 ALA H 1.0 1.9 5.12 963 591 A 55 ALA HA A 78 PRO HBx 1.0 1.9 5.88 964 591 A 55 ALA HA A 78 PRO HBy 1.0 1.9 5.88 965 592 A 55 ALA HB% A 78 PRO HA 1.0 1.9 3.14 966 593 A 55 ALA HB% A 56 TRP H 1.0 1.9 3.89 967 594 A 56 TRP H A 56 TRP HBx 1.0 1.9 3.32 968 594 A 56 TRP H A 56 TRP HBy 1.0 1.9 3.32 969 595 A 56 TRP H A 57 ILE H 1.0 1.9 2.69 970 596 A 57 ILE HB A 56 TRP H 1.0 1.9 4.46 971 597 A 56 TRP H A 58 GLY H 1.0 1.9 4.08 972 598 A 56 TRP H A 59 THR H 1.0 1.9 4.90 973 599 A 56 TRP HA A 57 ILE HA 1.0 1.9 4.85 974 600 A 58 GLY H A 56 TRP HA 1.0 1.9 4.86 975 601 A 56 TRP HA A 59 THR H 1.0 1.9 3.60 976 602 A 56 TRP HA A 59 THR HB 1.0 1.9 4.58 977 603 A 56 TRP HA A 59 THR HG2% 1.0 1.9 6.08 978 604 A 56 TRP HA A 60 ALA H 1.0 1.9 4.61 979 605 A 57 ILE H A 56 TRP HBx 1.0 1.9 4.44 980 605 A 56 TRP HBy A 57 ILE H 1.0 1.9 4.44 981 606 A 57 ILE HB A 56 TRP HBx 1.0 1.9 5.95 982 606 A 57 ILE HB A 56 TRP HBy 1.0 1.9 5.95 983 607 A 59 THR H A 56 TRP HBx 1.0 1.9 6.88 984 607 A 56 TRP HBy A 59 THR H 1.0 1.9 6.88 985 608 A 57 ILE HB A 57 ILE H 1.0 1.9 2.60 986 609 A 57 ILE HD1% A 57 ILE H 1.0 1.9 4.57 987 610 A 57 ILE H A 58 GLY H 1.0 1.9 2.89 988 611 A 57 ILE H A 59 THR H 1.0 1.9 4.61 989 612 A 57 ILE HG2% A 57 ILE HA 1.0 1.9 3.20 990 613 A 57 ILE HD1% A 57 ILE HA 1.0 1.9 4.54 991 614 A 58 GLY H A 57 ILE HA 1.0 1.9 3.39 992 615 A 59 THR H A 57 ILE HA 1.0 1.9 4.66 993 616 A 57 ILE HB A 61 ALA HB% 1.0 1.9 6.00 994 617 A 57 ILE HB A 73 LYS HDx 1.0 1.9 6.88 995 617 A 57 ILE HB A 73 LYS HDy 1.0 1.9 6.88 996 618 A 61 ALA HB% A 57 ILE HG12 1.0 1.9 6.38 997 618 A 57 ILE HG1y A 61 ALA HB% 1.0 1.9 6.38 998 619 A 57 ILE HD1% A 57 ILE HG2% 1.0 1.9 3.56 999 620 A 65 TRP HE1 A 57 ILE HG2% 1.0 1.9 4.51 1000 621 A 73 LYS HGy A 57 ILE HG2% 1.0 1.9 4.51 1001 621 A 57 ILE HG2% A 73 LYS HGx 1.0 1.9 4.51 1002 622 A 57 ILE HD1% A 61 ALA HB% 1.0 1.9 6.00 1003 623 A 58 GLY H A 59 THR H 1.0 1.9 2.37 1004 624 A 58 GLY H A 60 ALA H 1.0 1.9 4.20 1005 625 A 61 ALA HA A 58 GLY HAx 1.0 1.9 5.98 1006 625 A 58 GLY HAy A 61 ALA HA 1.0 1.9 5.98 1007 626 A 62 TYR HDx A 58 GLY HAx 1.0 1.9 5.62 1008 626 A 58 GLY HAy A 62 TYR HDx 1.0 1.9 5.62 1009 627 A 58 GLY HAy A 73 LYS HGx 1.0 1.9 6.86 1010 627 A 58 GLY HAx A 73 LYS HGx 1.0 1.9 6.86 1011 627 A 73 LYS HGy A 58 GLY HAx 1.0 1.9 6.86 1012 627 A 73 LYS HGy A 58 GLY HAy 1.0 1.9 6.86 1013 628 A 59 THR H A 59 THR HG2% 1.0 1.9 4.76 1014 629 A 59 THR H A 60 ALA H 1.0 1.9 3.20 1015 630 A 59 THR H A 61 ALA H 1.0 1.9 4.33 1016 631 A 59 THR H A 61 ALA HB% 1.0 1.9 6.00 1017 632 A 59 THR H A 62 TYR H 1.0 1.9 5.31 1018 633 A 59 THR H A 62 TYR HBy 1.0 1.9 5.57 1019 633 A 59 THR H A 62 TYR HBx 1.0 1.9 5.57 1020 634 A 59 THR HG2% A 59 THR HA 1.0 1.9 3.24 1021 635 A 59 THR HA A 60 ALA HA 1.0 1.9 4.94 1022 636 A 61 ALA H A 59 THR HA 1.0 1.9 5.18 1023 637 A 62 TYR H A 59 THR HA 1.0 1.9 6.00 1024 638 A 59 THR HA A 77 PHE HA 1.0 1.9 3.88 1025 639 A 59 THR HG1 A 78 PRO HBx 1.0 1.9 4.04 1026 639 A 78 PRO HBy A 59 THR HG1 1.0 1.9 4.04 1027 640 A 59 THR HG2% A 60 ALA H 1.0 1.9 6.00 1028 641 A 60 ALA H A 61 ALA H 1.0 1.9 2.90 1029 642 A 60 ALA H A 61 ALA HB% 1.0 1.9 5.38 1030 643 A 60 ALA H A 62 TYR H 1.0 1.9 3.58 1031 644 A 62 TYR H A 60 ALA HA 1.0 1.9 4.50 1032 645 A 60 ALA HA A 62 TYR HBy 1.0 1.9 5.08 1033 645 A 62 TYR HBx A 60 ALA HA 1.0 1.9 5.08 1034 646 A 60 ALA HA A 63 THR HG2% 1.0 1.9 5.36 1035 647 A 61 ALA HB% A 61 ALA H 1.0 1.9 2.81 1036 648 A 61 ALA H A 62 TYR H 1.0 1.9 2.98 1037 649 A 61 ALA H A 63 THR H 1.0 1.9 4.83 1038 650 A 61 ALA HA A 63 THR H 1.0 1.9 4.57 1039 651 A 61 ALA HA A 64 ALA H 1.0 1.9 3.70 1040 652 A 61 ALA HA A 64 ALA HB% 1.0 1.9 4.20 1041 653 A 61 ALA HA A 65 TRP H 1.0 1.9 4.70 1042 654 A 61 ALA HA A 65 TRP HBy 1.0 1.9 4.58 1043 655 A 61 ALA HB% A 62 TYR H 1.0 1.9 3.41 1044 656 A 61 ALA HB% A 62 TYR HA 1.0 1.9 4.99 1045 657 A 61 ALA HB% A 65 TRP HBy 1.0 1.9 4.30 1046 658 A 62 TYR H A 62 TYR HA 1.0 1.9 2.90 1047 659 A 62 TYR H A 62 TYR HBy 1.0 1.9 3.44 1048 659 A 62 TYR H A 62 TYR HBx 1.0 1.9 3.44 1049 660 A 62 TYR HDx A 62 TYR H 1.0 1.9 5.43 1050 661 A 62 TYR H A 63 THR H 1.0 1.9 3.09 1051 662 A 62 TYR H A 64 ALA H 1.0 1.9 4.30 1052 663 A 62 TYR H A 65 TRP H 1.0 1.9 4.62 1053 664 A 62 TYR HA A 62 TYR HBy 1.0 1.9 3.04 1054 665 A 62 TYR HBx A 62 TYR HA 1.0 1.9 3.04 1055 666 A 62 TYR HDx A 62 TYR HA 1.0 1.9 3.60 1056 667 A 62 TYR HA A 62 TYR HEx 1.0 1.9 4.75 1057 668 A 62 TYR HA A 63 THR HA 1.0 1.9 4.90 1058 669 A 64 ALA H A 62 TYR HA 1.0 1.9 4.52 1059 670 A 65 TRP H A 62 TYR HA 1.0 1.9 3.77 1060 671 A 65 TRP HBy A 62 TYR HA 1.0 1.9 3.52 1061 672 A 62 TYR HA A 66 LYS H 1.0 1.9 4.89 1062 673 A 62 TYR HA A 66 LYS HGx 1.0 1.9 4.92 1063 673 A 62 TYR HA A 66 LYS HGy 1.0 1.9 4.92 1064 674 A 63 THR HA A 62 TYR HBy 1.0 1.9 5.08 1065 674 A 62 TYR HBx A 63 THR HA 1.0 1.9 5.08 1066 675 A 63 THR HB A 62 TYR HBy 1.0 1.9 5.46 1067 675 A 62 TYR HBx A 63 THR HB 1.0 1.9 5.46 1068 676 A 62 TYR HBy A 66 LYS HGx 1.0 1.9 6.83 1069 676 A 62 TYR HBx A 66 LYS HGx 1.0 1.9 6.83 1070 676 A 66 LYS HGy A 62 TYR HBy 1.0 1.9 6.83 1071 676 A 62 TYR HBx A 66 LYS HGy 1.0 1.9 6.83 1072 677 A 62 TYR HBx A 66 LYS HDx 1.0 1.9 6.81 1073 677 A 62 TYR HBy A 66 LYS HDx 1.0 1.9 6.81 1074 677 A 66 LYS HDy A 62 TYR HBy 1.0 1.9 6.81 1075 677 A 62 TYR HBx A 66 LYS HDy 1.0 1.9 6.81 1076 678 A 62 TYR HBx A 73 LYS HEx 1.0 1.9 5.67 1077 678 A 62 TYR HBy A 73 LYS HEx 1.0 1.9 5.67 1078 678 A 73 LYS HEy A 62 TYR HBy 1.0 1.9 5.67 1079 678 A 73 LYS HEy A 62 TYR HBx 1.0 1.9 5.67 1080 679 A 62 TYR HDx A 65 TRP HBy 1.0 1.9 4.80 1081 680 A 62 TYR HDx A 65 TRP HBx 1.0 1.9 3.57 1082 681 A 62 TYR HDx A 66 LYS HGx 1.0 1.9 4.46 1083 681 A 62 TYR HDx A 66 LYS HGy 1.0 1.9 4.46 1084 682 A 62 TYR HDx A 66 LYS HDx 1.0 1.9 5.14 1085 682 A 62 TYR HDx A 66 LYS HDy 1.0 1.9 5.14 1086 683 A 62 TYR HDx A 73 LYS HEx 1.0 1.9 4.17 1087 683 A 73 LYS HEy A 62 TYR HDx 1.0 1.9 4.17 1088 684 A 62 TYR HDx A 75 PRO HA 1.0 1.9 4.56 1089 685 A 62 TYR HEx A 66 LYS HGy 1.0 1.9 4.10 1090 686 A 62 TYR HEx A 66 LYS HGx 1.0 1.9 3.83 1091 686 A 62 TYR HEx A 66 LYS HGy 1.0 1.9 3.83 1092 687 A 62 TYR HEx A 66 LYS HGx 1.0 1.9 4.10 1093 688 A 62 TYR HEx A 66 LYS HDx 1.0 1.9 3.78 1094 688 A 62 TYR HEx A 66 LYS HDy 1.0 1.9 3.78 1095 689 A 73 LYS H A 62 TYR HEx 1.0 1.9 6.00 1096 690 A 62 TYR HEx A 73 LYS HBy 1.0 1.9 5.55 1097 690 A 73 LYS HBx A 62 TYR HEx 1.0 1.9 5.55 1098 691 A 62 TYR HEx A 73 LYS HEx 1.0 1.9 5.70 1099 691 A 73 LYS HEy A 62 TYR HEx 1.0 1.9 5.70 1100 692 A 62 TYR HEx A 75 PRO HA 1.0 1.9 4.28 1101 693 A 62 TYR HEx A 75 PRO HBx 1.0 1.9 5.47 1102 693 A 62 TYR HEx A 75 PRO HBy 1.0 1.9 5.47 1103 694 A 62 TYR HEx A 75 PRO HDx 1.0 1.9 4.32 1104 695 A 63 THR H A 63 THR HB 1.0 1.9 2.57 1105 696 A 63 THR HG2% A 63 THR H 1.0 1.9 4.55 1106 697 A 63 THR H A 64 ALA H 1.0 1.9 2.67 1107 698 A 63 THR H A 65 TRP H 1.0 1.9 4.48 1108 699 A 63 THR H A 65 TRP HBx 1.0 1.9 6.00 1109 700 A 63 THR H A 66 LYS HGx 1.0 1.9 6.88 1110 700 A 63 THR H A 66 LYS HGy 1.0 1.9 6.88 1111 701 A 65 TRP H A 63 THR HA 1.0 1.9 4.80 1112 702 A 63 THR HA A 66 LYS H 1.0 1.9 3.70 1113 703 A 63 THR HA A 66 LYS HBx 1.0 1.9 4.88 1114 703 A 63 THR HA A 66 LYS HBy 1.0 1.9 4.88 1115 704 A 63 THR HA A 66 LYS HGy 1.0 1.9 4.73 1116 705 A 63 THR HA A 66 LYS HGx 1.0 1.9 4.54 1117 705 A 63 THR HA A 66 LYS HGy 1.0 1.9 4.54 1118 706 A 63 THR HA A 66 LYS HGx 1.0 1.9 4.73 1119 707 A 63 THR HA A 66 LYS HEx 1.0 1.9 6.30 1120 707 A 63 THR HA A 66 LYS HEy 1.0 1.9 6.30 1121 708 A 64 ALA H A 63 THR HB 1.0 1.9 4.30 1122 709 A 63 THR HG2% A 64 ALA H 1.0 1.9 4.27 1123 710 A 64 ALA H A 64 ALA HB% 1.0 1.9 2.90 1124 711 A 64 ALA H A 65 TRP H 1.0 1.9 2.69 1125 712 A 64 ALA H A 65 TRP HBy 1.0 1.9 4.00 1126 713 A 64 ALA H A 66 LYS H 1.0 1.9 4.08 1127 714 A 66 LYS H A 64 ALA HA 1.0 1.9 4.50 1128 715 A 64 ALA HA A 67 ALA HB% 1.0 1.9 4.47 1129 716 A 64 ALA HA A 68 LYS H 1.0 1.9 4.77 1130 717 A 64 ALA HA A 68 LYS HDy 1.0 1.9 6.08 1131 717 A 68 LYS HDx A 64 ALA HA 1.0 1.9 6.08 1132 718 A 64 ALA HB% A 65 TRP H 1.0 1.9 4.01 1133 719 A 64 ALA HB% A 65 TRP H 1.0 1.9 3.97 1134 720 A 64 ALA HB% A 68 LYS HEy 1.0 1.9 3.95 1135 720 A 64 ALA HB% A 68 LYS HEx 1.0 1.9 3.95 1136 721 A 65 TRP H A 65 TRP HBy 1.0 1.9 2.60 1137 722 A 65 TRP H A 66 LYS H 1.0 1.9 2.78 1138 723 A 65 TRP H A 67 ALA H 1.0 1.9 6.00 1139 724 A 65 TRP H A 68 LYS H 1.0 1.9 5.00 1140 725 A 65 TRP HBx A 65 TRP HA 1.0 1.9 2.90 1141 726 A 68 LYS H A 65 TRP HA 1.0 1.9 3.67 1142 727 A 65 TRP HA A 68 LYS HBy 1.0 1.9 5.10 1143 727 A 68 LYS HBx A 65 TRP HA 1.0 1.9 5.10 1144 728 A 65 TRP HA A 68 LYS HGx 1.0 1.9 5.10 1145 728 A 65 TRP HA A 68 LYS HGy 1.0 1.9 5.10 1146 729 A 65 TRP HA A 68 LYS HDy 1.0 1.9 3.91 1147 730 A 65 TRP HA A 68 LYS HDy 1.0 1.9 3.37 1148 730 A 68 LYS HDx A 65 TRP HA 1.0 1.9 3.37 1149 731 A 68 LYS HDx A 65 TRP HA 1.0 1.9 3.91 1150 732 A 65 TRP HA A 69 HIS HBx 1.0 1.9 5.57 1151 732 A 69 HIS HBy A 65 TRP HA 1.0 1.9 5.57 1152 733 A 65 TRP HBy A 66 LYS H 1.0 1.9 3.60 1153 734 A 66 LYS H A 65 TRP HBx 1.0 1.9 2.83 1154 735 A 65 TRP HBx A 68 LYS HBy 1.0 1.9 6.58 1155 735 A 68 LYS HBx A 65 TRP HBx 1.0 1.9 6.58 1156 736 A 65 TRP HE1 A 69 HIS HBx 1.0 1.9 6.88 1157 736 A 65 TRP HE1 A 69 HIS HBy 1.0 1.9 6.88 1158 737 A 65 TRP HE1 A 73 LYS HDx 1.0 1.9 6.88 1159 737 A 65 TRP HE1 A 73 LYS HDy 1.0 1.9 6.88 1160 738 A 65 TRP HE3 A 73 LYS HBy 1.0 1.9 4.12 1161 738 A 73 LYS HBx A 65 TRP HE3 1.0 1.9 4.12 1162 739 A 72 GLU HBy A 65 TRP HZ3 1.0 1.9 2.89 1163 740 A 65 TRP HH2 A 72 GLU HBx 1.0 1.9 2.54 1164 741 A 73 LYS HA A 65 TRP HH2 1.0 1.9 4.92 1165 742 A 65 TRP HH2 A 73 LYS HGx 1.0 1.9 5.66 1166 742 A 73 LYS HGy A 65 TRP HH2 1.0 1.9 5.66 1167 743 A 65 TRP HZ2 A 69 HIS HBx 1.0 1.9 4.82 1168 743 A 65 TRP HZ2 A 69 HIS HBy 1.0 1.9 4.82 1169 744 A 65 TRP HZ2 A 73 LYS HBy 1.0 1.9 4.48 1170 744 A 65 TRP HZ2 A 73 LYS HBx 1.0 1.9 4.48 1171 745 A 66 LYS H A 66 LYS HA 1.0 1.9 2.91 1172 746 A 66 LYS H A 66 LYS HGy 1.0 1.9 3.57 1173 747 A 66 LYS H A 66 LYS HGx 1.0 1.9 3.57 1174 748 A 66 LYS H A 68 LYS H 1.0 1.9 4.11 1175 749 A 66 LYS H A 69 HIS H 1.0 1.9 5.33 1176 750 A 66 LYS HA A 66 LYS HDx 1.0 1.9 5.08 1177 750 A 66 LYS HDy A 66 LYS HA 1.0 1.9 5.08 1178 751 A 68 LYS H A 66 LYS HA 1.0 1.9 4.79 1179 752 A 67 ALA HA A 66 LYS HBx 1.0 1.9 5.48 1180 752 A 66 LYS HBy A 67 ALA HA 1.0 1.9 5.48 1181 753 A 71 ASP HA A 66 LYS HDx 1.0 1.9 3.62 1182 753 A 66 LYS HDy A 71 ASP HA 1.0 1.9 3.62 1183 754 A 72 GLU H A 66 LYS HDx 1.0 1.9 6.88 1184 754 A 72 GLU H A 66 LYS HDy 1.0 1.9 6.88 1185 755 A 68 LYS H A 67 ALA HA 1.0 1.9 3.60 1186 756 A 67 ALA HA A 68 LYS HA 1.0 1.9 4.89 1187 757 A 67 ALA HB% A 68 LYS H 1.0 1.9 3.52 1188 758 A 68 LYS H A 68 LYS HBy 1.0 1.9 3.55 1189 758 A 68 LYS HBx A 68 LYS H 1.0 1.9 3.55 1190 759 A 68 LYS H A 68 LYS HGx 1.0 1.9 5.58 1191 759 A 68 LYS H A 68 LYS HGy 1.0 1.9 5.58 1192 760 A 68 LYS H A 68 LYS HDy 1.0 1.9 3.49 1193 760 A 68 LYS HDx A 68 LYS H 1.0 1.9 3.49 1194 761 A 68 LYS H A 68 LYS HEx 1.0 1.9 6.88 1195 761 A 68 LYS H A 68 LYS HEy 1.0 1.9 6.88 1196 762 A 68 LYS H A 69 HIS H 1.0 1.9 2.83 1197 763 A 68 LYS HA A 68 LYS HDy 1.0 1.9 5.54 1198 763 A 68 LYS HDx A 68 LYS HA 1.0 1.9 5.54 1199 764 A 68 LYS HBy A 68 LYS HEx 1.0 1.9 6.45 1200 764 A 68 LYS HBx A 68 LYS HEx 1.0 1.9 6.45 1201 764 A 68 LYS HEy A 68 LYS HBy 1.0 1.9 6.45 1202 764 A 68 LYS HBx A 68 LYS HEy 1.0 1.9 6.45 1203 765 A 69 HIS H A 68 LYS HBy 1.0 1.9 3.71 1204 765 A 68 LYS HBx A 69 HIS H 1.0 1.9 3.71 1205 766 A 69 HIS HBy A 68 LYS HBy 1.0 1.9 7.27 1206 767 A 68 LYS HBy A 69 HIS HBx 1.0 1.9 6.20 1207 767 A 69 HIS HBy A 68 LYS HBy 1.0 1.9 6.20 1208 767 A 68 LYS HBx A 69 HIS HBy 1.0 1.9 6.20 1209 767 A 68 LYS HBx A 69 HIS HBx 1.0 1.9 6.20 1210 768 A 68 LYS HBy A 69 HIS HBx 1.0 1.9 7.27 1211 769 A 69 HIS HD2 A 68 LYS HBy 1.0 1.9 4.19 1212 769 A 68 LYS HBx A 69 HIS HD2 1.0 1.9 4.19 1213 770 A 68 LYS HBx A 69 HIS HBy 1.0 1.9 7.27 1214 771 A 68 LYS HBx A 69 HIS HBx 1.0 1.9 7.27 1215 772 A 69 HIS H A 68 LYS HGx 1.0 1.9 5.49 1216 772 A 68 LYS HGy A 69 HIS H 1.0 1.9 5.49 1217 773 A 69 HIS H A 69 HIS HBx 1.0 1.9 3.46 1218 773 A 69 HIS HBy A 69 HIS H 1.0 1.9 3.46 1219 774 A 69 HIS HA A 70 PRO HGx 1.0 1.9 4.80 1220 775 A 69 HIS HA A 70 PRO HDy 1.0 1.9 3.30 1221 775 A 69 HIS HA A 70 PRO HDx 1.0 1.9 3.30 1222 776 A 69 HIS HE1 A 69 HIS HBx 1.0 1.9 5.11 1223 776 A 69 HIS HE1 A 69 HIS HBy 1.0 1.9 5.11 1224 777 A 72 GLU H A 69 HIS HBx 1.0 1.9 6.88 1225 777 A 72 GLU H A 69 HIS HBy 1.0 1.9 6.88 1226 778 A 72 GLU HBx A 69 HIS HBx 1.0 1.9 6.21 1227 778 A 69 HIS HBy A 72 GLU HBx 1.0 1.9 6.21 1228 779 A 69 HIS HBy A 72 GLU HGx 1.0 1.9 6.65 1229 779 A 69 HIS HBx A 72 GLU HGx 1.0 1.9 6.65 1230 779 A 72 GLU HGy A 69 HIS HBx 1.0 1.9 6.65 1231 779 A 72 GLU HGy A 69 HIS HBy 1.0 1.9 6.65 1232 780 A 73 LYS H A 69 HIS HBx 1.0 1.9 6.88 1233 780 A 73 LYS H A 69 HIS HBy 1.0 1.9 6.88 1234 781 A 72 GLU H A 70 PRO HA 1.0 1.9 4.51 1235 782 A 71 ASP HA A 70 PRO HBx 1.0 1.9 5.88 1236 782 A 71 ASP HA A 70 PRO HBy 1.0 1.9 5.88 1237 783 A 70 PRO HBy A 71 ASP HBy 1.0 1.9 6.22 1238 783 A 71 ASP HBx A 70 PRO HBx 1.0 1.9 6.22 1239 783 A 70 PRO HBy A 71 ASP HBx 1.0 1.9 6.22 1240 783 A 70 PRO HBx A 71 ASP HBy 1.0 1.9 6.22 1241 784 A 71 ASP H A 70 PRO HGy 1.0 1.9 2.63 1242 785 A 72 GLU H A 70 PRO HGy 1.0 1.9 4.56 1243 786 A 72 GLU HA A 70 PRO HGy 1.0 1.9 4.57 1244 787 A 71 ASP H A 70 PRO HGx 1.0 1.9 3.93 1245 788 A 72 GLU H A 70 PRO HDy 1.0 1.9 6.88 1246 788 A 72 GLU H A 70 PRO HDx 1.0 1.9 6.88 1247 789 A 72 GLU HBx A 70 PRO HDy 1.0 1.9 5.48 1248 789 A 72 GLU HBx A 70 PRO HDx 1.0 1.9 5.48 1249 790 A 71 ASP H A 71 ASP HBy 1.0 1.9 3.30 1250 791 A 71 ASP H A 71 ASP HBy 1.0 1.9 2.78 1251 791 A 71 ASP H A 71 ASP HBx 1.0 1.9 2.78 1252 792 A 71 ASP H A 71 ASP HBx 1.0 1.9 3.30 1253 793 A 71 ASP H A 72 GLU H 1.0 1.9 3.03 1254 794 A 72 GLU H A 71 ASP HA 1.0 1.9 3.20 1255 795 A 73 LYS H A 71 ASP HA 1.0 1.9 3.89 1256 796 A 72 GLU H A 71 ASP HBy 1.0 1.9 4.99 1257 797 A 72 GLU HA A 71 ASP HBy 1.0 1.9 5.48 1258 797 A 72 GLU HA A 71 ASP HBx 1.0 1.9 5.48 1259 798 A 72 GLU H A 71 ASP HBx 1.0 1.9 4.99 1260 799 A 72 GLU HA A 72 GLU H 1.0 1.9 2.90 1261 800 A 72 GLU HBy A 72 GLU H 1.0 1.9 2.55 1262 801 A 72 GLU H A 72 GLU HGx 1.0 1.9 4.83 1263 801 A 72 GLU HGy A 72 GLU H 1.0 1.9 4.83 1264 802 A 72 GLU H A 73 LYS H 1.0 1.9 3.20 1265 803 A 72 GLU HA A 72 GLU HBy 1.0 1.9 2.87 1266 804 A 72 GLU HA A 72 GLU HGx 1.0 1.9 3.48 1267 804 A 72 GLU HA A 72 GLU HGy 1.0 1.9 3.48 1268 805 A 73 LYS H A 72 GLU HBx 1.0 1.9 4.92 1269 806 A 72 GLU HBx A 73 LYS HBy 1.0 1.9 4.96 1270 806 A 73 LYS HBx A 72 GLU HBx 1.0 1.9 4.96 1271 807 A 73 LYS H A 72 GLU HGx 1.0 1.9 5.68 1272 807 A 72 GLU HGy A 73 LYS H 1.0 1.9 5.68 1273 808 A 73 LYS H A 73 LYS HBy 1.0 1.9 3.52 1274 809 A 73 LYS H A 73 LYS HBy 1.0 1.9 3.31 1275 809 A 73 LYS H A 73 LYS HBx 1.0 1.9 3.31 1276 810 A 73 LYS H A 73 LYS HBx 1.0 1.9 3.52 1277 811 A 73 LYS H A 73 LYS HGx 1.0 1.9 5.71 1278 811 A 73 LYS H A 73 LYS HGy 1.0 1.9 5.71 1279 812 A 73 LYS H A 73 LYS HDx 1.0 1.9 5.79 1280 812 A 73 LYS H A 73 LYS HDy 1.0 1.9 5.79 1281 813 A 74 PHE H A 73 LYS H 1.0 1.9 4.68 1282 814 A 73 LYS HA A 73 LYS HBy 1.0 1.9 2.71 1283 814 A 73 LYS HA A 73 LYS HBx 1.0 1.9 2.71 1284 815 A 73 LYS HA A 73 LYS HGx 1.0 1.9 3.51 1285 815 A 73 LYS HA A 73 LYS HGy 1.0 1.9 3.51 1286 816 A 73 LYS HA A 73 LYS HDx 1.0 1.9 5.19 1287 816 A 73 LYS HA A 73 LYS HDy 1.0 1.9 5.19 1288 817 A 74 PHE H A 73 LYS HA 1.0 1.9 2.89 1289 818 A 73 LYS HA A 74 PHE HBy 1.0 1.9 5.00 1290 819 A 73 LYS HA A 74 PHE HBy 1.0 1.9 4.71 1291 819 A 74 PHE HBx A 73 LYS HA 1.0 1.9 4.71 1292 820 A 74 PHE HBx A 73 LYS HA 1.0 1.9 5.00 1293 821 A 74 PHE H A 73 LYS HBy 1.0 1.9 4.40 1294 822 A 74 PHE H A 73 LYS HBy 1.0 1.9 3.99 1295 822 A 74 PHE H A 73 LYS HBx 1.0 1.9 3.99 1296 823 A 75 PRO HDx A 73 LYS HBy 1.0 1.9 6.61 1297 823 A 73 LYS HBx A 75 PRO HDx 1.0 1.9 6.61 1298 824 A 74 PHE H A 73 LYS HBx 1.0 1.9 4.40 1299 825 A 74 PHE H A 73 LYS HGx 1.0 1.9 4.72 1300 825 A 74 PHE H A 73 LYS HGy 1.0 1.9 4.72 1301 826 A 74 PHE H A 74 PHE HBy 1.0 1.9 3.37 1302 826 A 74 PHE HBx A 74 PHE H 1.0 1.9 3.37 1303 827 A 74 PHE H A 74 PHE HDx 1.0 1.9 6.00 1304 828 A 74 PHE HA A 74 PHE HBy 1.0 1.9 2.76 1305 828 A 74 PHE HA A 74 PHE HBx 1.0 1.9 2.76 1306 829 A 74 PHE HA A 74 PHE HDx 1.0 1.9 3.00 1307 830 A 74 PHE HA A 75 PRO HDx 1.0 1.9 2.35 1308 831 A 75 PRO HDy A 74 PHE HBy 1.0 1.9 4.68 1309 831 A 74 PHE HBx A 75 PRO HDy 1.0 1.9 4.68 1310 832 A 74 PHE HBx A 76 ALA HB% 1.0 1.9 4.42 1311 832 A 76 ALA HB% A 74 PHE HBy 1.0 1.9 4.42 1312 833 A 74 PHE HEy A 76 ALA HB% 1.0 1.9 5.08 1313 834 A 74 PHE HDy A 76 ALA HB% 1.0 1.9 2.82 1314 835 A 76 ALA H A 75 PRO HA 1.0 1.9 2.50 1315 836 A 75 PRO HA A 76 ALA HA 1.0 1.9 4.50 1316 837 A 75 PRO HA A 76 ALA HB% 1.0 1.9 5.10 1317 838 A 76 ALA H A 76 ALA HB% 1.0 1.9 3.10 1318 839 A 76 ALA H A 77 PHE H 1.0 1.9 4.72 1319 840 A 76 ALA HA A 77 PHE H 1.0 1.9 2.76 1320 841 A 77 PHE HA A 76 ALA HA 1.0 1.9 4.70 1321 842 A 76 ALA HA A 77 PHE HBy 1.0 1.9 5.38 1322 842 A 76 ALA HA A 77 PHE HBx 1.0 1.9 5.38 1323 843 A 76 ALA HA A 77 PHE HDy 1.0 1.9 3.58 1324 844 A 77 PHE HA A 76 ALA HB% 1.0 1.9 5.20 1325 845 A 77 PHE H A 77 PHE HBy 1.0 1.9 3.33 1326 845 A 77 PHE H A 77 PHE HBx 1.0 1.9 3.33 1327 846 A 77 PHE HA A 77 PHE HBy 1.0 1.9 2.85 1328 847 A 77 PHE HA A 77 PHE HBy 1.0 1.9 2.64 1329 847 A 77 PHE HA A 77 PHE HBx 1.0 1.9 2.64 1330 848 A 77 PHE HA A 77 PHE HBx 1.0 1.9 2.85 1331 849 A 77 PHE HA A 78 PRO HBx 1.0 1.9 6.23 1332 849 A 78 PRO HBy A 77 PHE HA 1.0 1.9 6.23 1333 850 A 77 PHE HA A 78 PRO HGx 1.0 1.9 5.46 1334 850 A 77 PHE HA A 78 PRO HGy 1.0 1.9 5.46 1335 851 A 77 PHE HA A 78 PRO HDx 1.0 1.9 3.45 1336 851 A 77 PHE HA A 78 PRO HDy 1.0 1.9 3.45 1337 852 A 77 PHE HDx A 79 GLY HAx 1.0 1.9 5.48 1338 852 A 77 PHE HDx A 79 GLY HAy 1.0 1.9 5.48 1339 853 A 79 GLY H A 77 PHE HEx 1.0 1.9 4.92 1340 854 A 77 PHE HEx A 79 GLY HAx 1.0 1.9 2.77 1341 854 A 79 GLY HAy A 77 PHE HEx 1.0 1.9 2.77 1342 855 A 78 PRO HA A 79 GLY HAx 1.0 1.9 5.54 1343 855 A 78 PRO HA A 79 GLY HAy 1.0 1.9 5.54 1344 856 A 79 GLY H A 79 GLY HAx 1.0 1.9 2.64 1345 856 A 79 GLY H A 79 GLY HAy 1.0 1.9 2.64 stop_ save_