data_nef_c19511_2me0 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 SER start . . 2 A 2 ALA middle . . 3 A 3 PRO middle . false 4 A 4 GLY middle . false 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 SER middle . . 8 A 8 ARG middle . . 9 A 9 ARG middle . . 10 A 10 ARG middle . . 11 A 11 ARG middle . . 12 A 12 THR middle . . 13 A 13 ALA middle . . 14 A 14 PHE middle . . 15 A 15 THR middle . . 16 A 16 SER middle . . 17 A 17 GLU middle . . 18 A 18 GLN middle . . 19 A 19 LEU middle . . 20 A 20 LEU middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 GLU middle . . 24 A 24 LYS middle . . 25 A 25 GLU middle . . 26 A 26 PHE middle . . 27 A 27 HIS middle . . 28 A 28 CYS middle . . 29 A 29 LYS middle . . 30 A 30 LYS middle . . 31 A 31 TYR middle . . 32 A 32 LEU middle . . 33 A 33 SER middle . . 34 A 34 LEU middle . . 35 A 35 THR middle . . 36 A 36 GLU middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 GLN middle . . 40 A 40 ILE middle . . 41 A 41 ALA middle . . 42 A 42 HIS middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 LYS middle . . 46 A 46 LEU middle . . 47 A 47 SER middle . . 48 A 48 GLU middle . . 49 A 49 VAL middle . . 50 A 50 GLN middle . . 51 A 51 VAL middle . . 52 A 52 LYS middle . . 53 A 53 ILE middle . . 54 A 54 TRP middle . . 55 A 55 PHE middle . . 56 A 56 GLN middle . . 57 A 57 ASN middle . . 58 A 58 ARG middle . . 59 A 59 ARG middle . . 60 A 60 ALA middle . . 61 A 61 LYS middle . . 62 A 62 TRP middle . . 63 A 63 LYS middle . . 64 A 64 ARG middle . . 65 A 65 ILE middle . . 66 A 66 LYS middle . . 67 A 67 ALA middle . . 68 A 68 GLY middle . false 69 A 69 ASN middle . . 70 A 70 VAL middle . . 71 A 71 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 PRO HA H 1 4.499 . A 3 PRO HBx H 1 2.357 . A 3 PRO HBy H 1 2.357 . A 3 PRO HDy H 1 3.869 . A 3 PRO HDx H 1 3.711 . A 3 PRO HGx H 1 2.068 . A 3 PRO HGy H 1 2.117 . A 3 PRO CA C 13 61.077 . A 3 PRO CB C 13 29.635 . A 3 PRO CD C 13 47.932 . A 3 PRO CG C 13 25.051 . A 4 GLY H H 1 8.521 . A 4 GLY HAx H 1 4.030 . A 4 GLY CA C 13 42.963 . A 4 GLY N N 15 109.482 . A 5 GLY H H 1 8.245 . A 5 GLY HAx H 1 4.016 . A 5 GLY HAy H 1 4.016 . A 5 GLY CA C 13 42.869 . A 5 GLY N N 15 108.605 . A 6 LYS H H 1 8.201 . A 6 LYS HA H 1 4.454 . A 6 LYS HBx H 1 1.798 . A 6 LYS HBy H 1 1.893 . A 6 LYS HGx H 1 1.482 . A 6 LYS HGy H 1 1.482 . A 6 LYS CA C 13 53.594 . A 6 LYS CB C 13 31.034 . A 6 LYS CE C 13 39.904 . A 6 LYS CG C 13 22.261 . A 6 LYS N N 15 120.900 . A 7 SER H H 1 8.425 . A 7 SER HA H 1 4.533 . A 7 SER HBx H 1 3.891 . A 7 SER HBy H 1 3.891 . A 7 SER CA C 13 55.637 . A 7 SER CB C 13 61.343 . A 7 SER N N 15 118.055 . A 8 ARG HA H 1 4.547 . A 8 ARG HBy H 1 1.903 . A 8 ARG HBx H 1 1.856 . A 8 ARG HDx H 1 3.327 . A 8 ARG HDy H 1 3.327 . A 8 ARG HGx H 1 1.769 . A 8 ARG HGy H 1 1.769 . A 8 ARG CA C 13 53.146 . A 8 ARG CB C 13 29.317 . A 8 ARG CD C 13 41.306 . A 8 ARG CG C 13 24.889 . A 9 ARG H H 1 9.037 . A 9 ARG HA H 1 4.321 . A 9 ARG HBy H 1 1.939 . A 9 ARG HBx H 1 1.803 . A 9 ARG HDx H 1 3.351 . A 9 ARG HDy H 1 3.351 . A 9 ARG HGx H 1 1.819 . A 9 ARG HGy H 1 1.857 . A 9 ARG CA C 13 54.049 . A 9 ARG CB C 13 28.705 . A 9 ARG CD C 13 41.931 . A 9 ARG CG C 13 24.973 . A 9 ARG N N 15 124.954 . A 10 ARG H H 1 8.350 . A 10 ARG HA H 1 4.322 . A 10 ARG HBx H 1 1.789 . A 10 ARG HBy H 1 1.832 . A 10 ARG HDx H 1 3.257 . A 10 ARG HDy H 1 3.257 . A 10 ARG HGy H 1 1.751 . A 10 ARG HGx H 1 1.668 . A 10 ARG CA C 13 53.971 . A 10 ARG CB C 13 28.386 . A 10 ARG CD C 13 40.831 . A 10 ARG CG C 13 24.682 . A 10 ARG N N 15 122.493 . A 11 ARG H H 1 8.508 . A 11 ARG HA H 1 4.312 . A 11 ARG HBx H 1 1.654 . A 11 ARG HBy H 1 1.747 . A 11 ARG HGx H 1 1.824 . A 11 ARG HGy H 1 1.824 . A 11 ARG CA C 13 53.146 . A 11 ARG CB C 13 30.162 . A 11 ARG CG C 13 28.729 . A 11 ARG N N 15 123.361 . A 12 THR H H 1 8.068 . A 12 THR HA H 1 3.790 . A 12 THR HB H 1 3.653 . A 12 THR HG2% H 1 0.347 . A 12 THR CA C 13 62.948 . A 12 THR CB C 13 66.854 . A 12 THR CG2 C 13 17.614 . A 12 THR N N 15 126.287 . A 13 ALA H H 1 8.317 . A 13 ALA HA H 1 4.664 . A 13 ALA HB% H 1 1.331 . A 13 ALA CA C 13 47.602 . A 13 ALA CB C 13 16.412 . A 13 ALA N N 15 129.745 . A 14 PHE H H 1 8.594 . A 14 PHE HA H 1 4.708 . A 14 PHE HBy H 1 3.191 . A 14 PHE HBx H 1 2.824 . A 14 PHE HDx H 1 7.374 . A 14 PHE HDy H 1 7.502 . A 14 PHE HEx H 1 7.742 . A 14 PHE HEy H 1 7.742 . A 14 PHE CA C 13 56.288 . A 14 PHE CB C 13 38.229 . A 14 PHE CDx C 13 129.024 . A 14 PHE CDy C 13 129.118 . A 14 PHE CEy C 13 127.230 . A 14 PHE CEx C 13 127.226 . A 14 PHE N N 15 124.589 . A 15 THR H H 1 9.053 . A 15 THR HA H 1 4.575 . A 15 THR HB H 1 4.867 . A 15 THR HG2% H 1 1.394 . A 15 THR CA C 13 58.027 . A 15 THR CB C 13 68.256 . A 15 THR CG2 C 13 19.501 . A 15 THR N N 15 113.746 . A 16 SER H H 1 9.092 . A 16 SER HA H 1 4.713 . A 16 SER HBx H 1 3.985 . A 16 SER HBy H 1 4.189 . A 16 SER CA C 13 59.750 . A 16 SER CB C 13 59.639 . A 16 SER N N 15 116.624 . A 17 GLU H H 1 8.560 . A 17 GLU HA H 1 4.081 . A 17 GLU HBx H 1 2.016 . A 17 GLU HBy H 1 2.114 . A 17 GLU HGx H 1 2.361 . A 17 GLU HGy H 1 2.361 . A 17 GLU CA C 13 57.565 . A 17 GLU CB C 13 26.998 . A 17 GLU CG C 13 34.435 . A 17 GLU N N 15 120.287 . A 18 GLN H H 1 7.769 . A 18 GLN HA H 1 3.898 . A 18 GLN HBy H 1 2.779 . A 18 GLN HBx H 1 2.469 . A 18 GLN HE2y H 1 7.722 . A 18 GLN HE2x H 1 6.705 . A 18 GLN CA C 13 56.609 . A 18 GLN CB C 13 32.647 . A 18 GLN N N 15 118.169 . A 18 GLN NE2 N 15 110.557 . A 19 LEU H H 1 8.227 . A 19 LEU HA H 1 3.655 . A 19 LEU HBy H 1 1.824 . A 19 LEU HBx H 1 1.558 . A 19 LEU HDx% H 1 0.987 . A 19 LEU HDy% H 1 0.830 . A 19 LEU CA C 13 55.390 . A 19 LEU CB C 13 39.414 . A 19 LEU CDy C 13 23.024 . A 19 LEU CDx C 13 21.055 . A 19 LEU CG C 13 24.555 . A 19 LEU N N 15 116.929 . A 20 LEU H H 1 8.037 . A 20 LEU HA H 1 4.034 . A 20 LEU HBx H 1 1.675 . A 20 LEU HBy H 1 1.867 . A 20 LEU HDx% H 1 0.928 . A 20 LEU HDy% H 1 0.928 . A 20 LEU HG H 1 1.765 . A 20 LEU CA C 13 55.765 . A 20 LEU CB C 13 39.758 . A 20 LEU CDx C 13 22.030 . A 20 LEU CDy C 13 22.030 . A 20 LEU CG C 13 24.770 . A 20 LEU N N 15 118.864 . A 21 GLU H H 1 7.491 . A 21 GLU HA H 1 4.159 . A 21 GLU HBy H 1 2.131 . A 21 GLU HBx H 1 2.033 . A 21 GLU HGy H 1 2.477 . A 21 GLU HGx H 1 2.335 . A 21 GLU CA C 13 56.062 . A 21 GLU CB C 13 27.576 . A 21 GLU CG C 13 32.740 . A 21 GLU N N 15 118.147 . A 22 LEU H H 1 8.254 . A 22 LEU HA H 1 3.534 . A 22 LEU HBx H 1 -1.017 . A 22 LEU HBy H 1 0.542 . A 22 LEU HDx% H 1 0.421 . A 22 LEU HDy% H 1 -0.783 . A 22 LEU CA C 13 56.091 . A 22 LEU CB C 13 35.557 . A 22 LEU CDx C 13 19.881 . A 22 LEU CDy C 13 20.629 . A 22 LEU CG C 13 23.500 . A 22 LEU N N 15 122.316 . A 23 GLU H H 1 8.084 . A 23 GLU HA H 1 4.319 . A 23 GLU HBy H 1 2.196 . A 23 GLU HBx H 1 2.071 . A 23 GLU HGx H 1 2.410 . A 23 GLU HGy H 1 2.579 . A 23 GLU CA C 13 56.627 . A 23 GLU CB C 13 26.800 . A 23 GLU CG C 13 32.599 . A 23 GLU N N 15 117.645 . A 24 LYS H H 1 7.884 . A 24 LYS HA H 1 4.088 . A 24 LYS HGx H 1 2.017 . A 24 LYS HGy H 1 2.017 . A 24 LYS CA C 13 57.392 . A 24 LYS CG C 13 27.064 . A 24 LYS N N 15 120.989 . A 25 GLU H H 1 8.179 . A 25 GLU HA H 1 4.325 . A 25 GLU HBx H 1 2.365 . A 25 GLU HBy H 1 2.365 . A 25 GLU HGx H 1 2.633 . A 25 GLU HGy H 1 2.633 . A 25 GLU CA C 13 56.529 . A 25 GLU CB C 13 26.344 . A 25 GLU CG C 13 32.497 . A 25 GLU N N 15 119.686 . A 26 PHE H H 1 8.896 . A 26 PHE HA H 1 4.769 . A 26 PHE HBy H 1 3.341 . A 26 PHE HBx H 1 3.252 . A 26 PHE HDx H 1 6.962 . A 26 PHE HDy H 1 6.962 . A 26 PHE HEx H 1 6.902 . A 26 PHE HEy H 1 6.902 . A 26 PHE HZ H 1 6.534 . A 26 PHE CA C 13 57.746 . A 26 PHE CB C 13 41.554 . A 26 PHE CDy C 13 130.150 . A 26 PHE CDx C 13 130.144 . A 26 PHE CEx C 13 127.863 . A 26 PHE CEy C 13 127.863 . A 26 PHE CZ C 13 126.062 . A 26 PHE N N 15 121.229 . A 27 HIS H H 1 8.110 . A 27 HIS HA H 1 4.069 . A 27 HIS HBy H 1 3.361 . A 27 HIS HBx H 1 3.303 . A 27 HIS HD2 H 1 7.251 . A 27 HIS CA C 13 56.598 . A 27 HIS CB C 13 27.235 . A 27 HIS CD2 C 13 117.962 . A 27 HIS N N 15 115.789 . A 28 CYS H H 1 7.470 . A 28 CYS HA H 1 4.553 . A 28 CYS HBx H 1 3.312 . A 28 CYS HBy H 1 3.312 . A 28 CYS CA C 13 54.270 . A 28 CYS CB C 13 39.551 . A 28 CYS N N 15 115.311 . A 29 LYS H H 1 8.648 . A 29 LYS HA H 1 4.412 . A 29 LYS HBy H 1 1.887 . A 29 LYS HBx H 1 1.768 . A 29 LYS HDx H 1 1.788 . A 29 LYS HDy H 1 1.788 . A 29 LYS HEx H 1 3.032 . A 29 LYS HEy H 1 3.032 . A 29 LYS HGy H 1 1.478 . A 29 LYS HGx H 1 1.381 . A 29 LYS CA C 13 53.840 . A 29 LYS CB C 13 32.448 . A 29 LYS CD C 13 27.102 . A 29 LYS CE C 13 39.834 . A 29 LYS CG C 13 21.810 . A 29 LYS N N 15 122.013 . A 30 LYS H H 1 7.887 . A 30 LYS HA H 1 3.837 . A 30 LYS HBy H 1 1.523 . A 30 LYS HBx H 1 1.140 . A 30 LYS HDx H 1 0.297 . A 30 LYS HDy H 1 0.297 . A 30 LYS HEx H 1 1.582 . A 30 LYS HEy H 1 1.825 . A 30 LYS HGx H 1 0.433 . A 30 LYS HGy H 1 0.433 . A 30 LYS CA C 13 53.748 . A 30 LYS CB C 13 30.195 . A 30 LYS CD C 13 25.416 . A 30 LYS CE C 13 38.837 . A 30 LYS CG C 13 21.872 . A 30 LYS N N 15 117.519 . A 31 TYR H H 1 7.368 . A 31 TYR HA H 1 4.591 . A 31 TYR HBx H 1 3.027 . A 31 TYR HBy H 1 3.027 . A 31 TYR HDx H 1 7.263 . A 31 TYR HDy H 1 7.263 . A 31 TYR HEx H 1 6.883 . A 31 TYR HEy H 1 6.883 . A 31 TYR CA C 13 53.415 . A 31 TYR CB C 13 39.905 . A 31 TYR CDx C 13 131.253 . A 31 TYR CDy C 13 131.253 . A 31 TYR CEx C 13 115.183 . A 31 TYR CEy C 13 115.183 . A 31 TYR N N 15 112.770 . A 32 LEU H H 1 8.442 . A 32 LEU HA H 1 4.766 . A 32 LEU HBx H 1 1.378 . A 32 LEU HBy H 1 1.378 . A 32 LEU HDx% H 1 0.456 . A 32 LEU HDy% H 1 0.116 . A 32 LEU HG H 1 0.574 . A 32 LEU CA C 13 50.290 . A 32 LEU CB C 13 42.846 . A 32 LEU CDx C 13 20.190 . A 32 LEU CDy C 13 24.179 . A 32 LEU CG C 13 24.014 . A 32 LEU N N 15 120.286 . A 33 SER H H 1 9.439 . A 33 SER HA H 1 4.045 . A 33 SER HBy H 1 2.293 . A 33 SER HBx H 1 1.919 . A 33 SER CA C 13 54.957 . A 33 SER CB C 13 63.875 . A 33 SER N N 15 120.490 . A 34 LEU H H 1 8.886 . A 34 LEU HA H 1 4.059 . A 34 LEU HBy H 1 1.888 . A 34 LEU HBx H 1 1.716 . A 34 LEU HDx% H 1 1.002 . A 34 LEU HDy% H 1 1.032 . A 34 LEU HG H 1 1.796 . A 34 LEU CA C 13 56.683 . A 34 LEU CB C 13 38.920 . A 34 LEU CDx C 13 21.054 . A 34 LEU CDy C 13 22.391 . A 34 LEU CG C 13 24.864 . A 34 LEU N N 15 121.725 . A 35 THR H H 1 8.142 . A 35 THR HA H 1 4.047 . A 35 THR HB H 1 4.080 . A 35 THR HG2% H 1 1.268 . A 35 THR CA C 13 63.322 . A 35 THR CB C 13 65.973 . A 35 THR CG2 C 13 19.505 . A 35 THR N N 15 113.779 . A 36 GLU H H 1 7.658 . A 36 GLU HA H 1 4.036 . A 36 GLU HBx H 1 1.915 . A 36 GLU HBy H 1 2.292 . A 36 GLU HGx H 1 2.299 . A 36 GLU HGy H 1 2.299 . A 36 GLU CA C 13 56.454 . A 36 GLU CB C 13 27.949 . A 36 GLU CG C 13 34.727 . A 36 GLU N N 15 122.728 . A 37 ARG H H 1 8.762 . A 37 ARG HA H 1 3.842 . A 37 ARG HBx H 1 1.864 . A 37 ARG HBy H 1 1.886 . A 37 ARG HGx H 1 0.118 . A 37 ARG HGy H 1 0.118 . A 37 ARG CA C 13 57.537 . A 37 ARG CB C 13 28.496 . A 37 ARG CG C 13 24.293 . A 37 ARG N N 15 118.862 . A 38 SER H H 1 7.989 . A 38 SER HA H 1 4.039 . A 38 SER HBx H 1 2.121 . A 38 SER HBy H 1 2.121 . A 38 SER CA C 13 60.349 . A 38 SER CB C 13 65.383 . A 38 SER N N 15 113.126 . A 39 GLN H H 1 8.017 . A 39 GLN HA H 1 4.176 . A 39 GLN HBx H 1 2.200 . A 39 GLN HBy H 1 2.298 . A 39 GLN HE2y H 1 7.421 . A 39 GLN HE2x H 1 6.794 . A 39 GLN HGy H 1 2.607 . A 39 GLN HGx H 1 2.471 . A 39 GLN CA C 13 56.766 . A 39 GLN CB C 13 25.985 . A 39 GLN CG C 13 31.650 . A 39 GLN N N 15 121.461 . A 39 GLN NE2 N 15 111.041 . A 40 ILE H H 1 8.290 . A 40 ILE HA H 1 3.943 . A 40 ILE HB H 1 1.790 . A 40 ILE HD1% H 1 0.801 . A 40 ILE HG1x H 1 1.125 . A 40 ILE HG1y H 1 1.125 . A 40 ILE HG2% H 1 0.929 . A 40 ILE CA C 13 62.170 . A 40 ILE CB C 13 35.984 . A 40 ILE CD1 C 13 12.129 . A 40 ILE CG1 C 13 27.347 . A 40 ILE CG2 C 13 15.567 . A 40 ILE N N 15 121.303 . A 41 ALA H H 1 8.201 . A 41 ALA HA H 1 3.757 . A 41 ALA HB% H 1 1.458 . A 41 ALA CA C 13 53.812 . A 41 ALA CB C 13 15.288 . A 41 ALA N N 15 121.610 . A 42 HIS H H 1 8.136 . A 42 HIS HA H 1 3.751 . A 42 HIS HBx H 1 1.520 . A 42 HIS HBy H 1 1.520 . A 42 HIS HD2 H 1 7.261 . A 42 HIS HE1 H 1 8.161 . A 42 HIS CA C 13 53.713 . A 42 HIS CB C 13 25.282 . A 42 HIS CD2 C 13 117.870 . A 42 HIS CE1 C 13 135.343 . A 42 HIS N N 15 114.498 . A 43 ALA H H 1 8.181 . A 43 ALA HA H 1 4.118 . A 43 ALA HB% H 1 1.598 . A 43 ALA CA C 13 52.521 . A 43 ALA CB C 13 16.046 . A 43 ALA N N 15 121.763 . A 44 LEU H H 1 8.016 . A 44 LEU HA H 1 4.416 . A 44 LEU HBx H 1 1.602 . A 44 LEU HBy H 1 1.602 . A 44 LEU HDx% H 1 0.784 . A 44 LEU HDy% H 1 0.815 . A 44 LEU HG H 1 2.035 . A 44 LEU CA C 13 51.814 . A 44 LEU CB C 13 40.181 . A 44 LEU CDy C 13 23.864 . A 44 LEU CDx C 13 20.262 . A 44 LEU CG C 13 24.406 . A 44 LEU N N 15 114.063 . A 45 LYS H H 1 7.867 . A 45 LYS HA H 1 4.026 . A 45 LYS HBy H 1 2.228 . A 45 LYS HBx H 1 1.942 . A 45 LYS HDx H 1 1.768 . A 45 LYS HDy H 1 1.768 . A 45 LYS HEx H 1 2.998 . A 45 LYS HEy H 1 3.122 . A 45 LYS HGx H 1 1.403 . A 45 LYS HGy H 1 1.403 . A 45 LYS CA C 13 54.887 . A 45 LYS CB C 13 26.031 . A 45 LYS CD C 13 26.826 . A 45 LYS CE C 13 39.482 . A 45 LYS CG C 13 22.601 . A 45 LYS N N 15 116.933 . A 46 LEU H H 1 8.517 . A 46 LEU HA H 1 4.937 . A 46 LEU HBx H 1 1.381 . A 46 LEU HBy H 1 1.826 . A 46 LEU HDx% H 1 0.839 . A 46 LEU HDy% H 1 1.059 . A 46 LEU HG H 1 1.665 . A 46 LEU CA C 13 49.983 . A 46 LEU CB C 13 45.389 . A 46 LEU CDy C 13 24.855 . A 46 LEU CDx C 13 21.041 . A 46 LEU CG C 13 23.972 . A 46 LEU N N 15 119.776 . A 47 SER H H 1 9.225 . A 47 SER HA H 1 4.856 . A 47 SER HBy H 1 4.406 . A 47 SER HBx H 1 4.054 . A 47 SER CA C 13 54.112 . A 47 SER CB C 13 62.635 . A 47 SER N N 15 114.945 . A 48 GLU H H 1 9.278 . A 48 GLU HA H 1 3.778 . A 48 GLU HBx H 1 2.088 . A 48 GLU HBy H 1 2.155 . A 48 GLU HGx H 1 2.161 . A 48 GLU HGy H 1 2.525 . A 48 GLU CA C 13 58.893 . A 48 GLU CB C 13 27.002 . A 48 GLU CG C 13 35.881 . A 48 GLU N N 15 122.216 . A 49 VAL H H 1 7.993 . A 49 VAL HA H 1 3.854 . A 49 VAL HB H 1 2.124 . A 49 VAL HGx% H 1 1.104 . A 49 VAL HGy% H 1 1.168 . A 49 VAL CA C 13 63.808 . A 49 VAL CB C 13 29.556 . A 49 VAL CGx C 13 18.662 . A 49 VAL CGy C 13 20.492 . A 49 VAL N N 15 118.235 . A 50 GLN H H 1 7.705 . A 50 GLN HA H 1 4.296 . A 50 GLN HBx H 1 2.123 . A 50 GLN HBy H 1 2.833 . A 50 GLN HE2x H 1 7.010 . A 50 GLN HE2y H 1 8.050 . A 50 GLN HGx H 1 2.593 . A 50 GLN HGy H 1 2.645 . A 50 GLN CA C 13 57.495 . A 50 GLN CB C 13 27.381 . A 50 GLN CG C 13 33.577 . A 50 GLN N N 15 119.879 . A 50 GLN NE2 N 15 116.224 . A 51 VAL H H 1 7.629 . A 51 VAL HA H 1 3.818 . A 51 VAL HB H 1 2.247 . A 51 VAL HGx% H 1 1.067 . A 51 VAL HGy% H 1 1.066 . A 51 VAL CA C 13 64.839 . A 51 VAL CB C 13 29.968 . A 51 VAL CGx C 13 20.022 . A 51 VAL CGy C 13 21.143 . A 51 VAL N N 15 117.905 . A 52 LYS H H 1 8.802 . A 52 LYS HA H 1 4.168 . A 52 LYS HBy H 1 2.238 . A 52 LYS HBx H 1 2.070 . A 52 LYS HDx H 1 1.732 . A 52 LYS HDy H 1 1.732 . A 52 LYS HEx H 1 2.986 . A 52 LYS HEy H 1 2.986 . A 52 LYS HGx H 1 1.720 . A 52 LYS HGy H 1 1.720 . A 52 LYS CA C 13 57.489 . A 52 LYS CB C 13 30.473 . A 52 LYS CD C 13 27.297 . A 52 LYS CE C 13 39.675 . A 52 LYS CG C 13 22.421 . A 52 LYS N N 15 120.669 . A 53 ILE H H 1 8.711 . A 53 ILE HA H 1 3.710 . A 53 ILE HB H 1 2.259 . A 53 ILE HD1% H 1 0.873 . A 53 ILE HG1y H 1 1.758 . A 53 ILE HG1x H 1 1.382 . A 53 ILE HG2% H 1 1.143 . A 53 ILE CA C 13 61.549 . A 53 ILE CB C 13 35.022 . A 53 ILE CD1 C 13 9.799 . A 53 ILE CG1 C 13 27.127 . A 53 ILE CG2 C 13 16.265 . A 53 ILE N N 15 120.041 . A 54 TRP H H 1 8.467 . A 54 TRP HA H 1 4.731 . A 54 TRP HBx H 1 3.384 . A 54 TRP HBy H 1 3.472 . A 54 TRP HD1 H 1 7.050 . A 54 TRP HE1 H 1 9.242 . A 54 TRP HE3 H 1 6.913 . A 54 TRP HH2 H 1 6.377 . A 54 TRP HZ2 H 1 7.179 . A 54 TRP HZ3 H 1 5.693 . A 54 TRP CA C 13 60.105 . A 54 TRP CB C 13 26.108 . A 54 TRP CD1 C 13 126.596 . A 54 TRP CE3 C 13 118.662 . A 54 TRP CH2 C 13 120.687 . A 54 TRP CZ2 C 13 111.398 . A 54 TRP CZ3 C 13 118.004 . A 54 TRP N N 15 123.292 . A 54 TRP NE1 N 15 128.715 . A 55 PHE H H 1 8.923 . A 55 PHE HA H 1 3.801 . A 55 PHE HBy H 1 3.467 . A 55 PHE HBx H 1 3.273 . A 55 PHE HDx H 1 7.774 . A 55 PHE HDy H 1 7.774 . A 55 PHE HEx H 1 7.632 . A 55 PHE HEy H 1 7.632 . A 55 PHE CA C 13 61.097 . A 55 PHE CB C 13 36.812 . A 55 PHE CDy C 13 129.125 . A 55 PHE CDx C 13 129.124 . A 55 PHE CEy C 13 130.085 . A 55 PHE CEx C 13 130.082 . A 55 PHE N N 15 118.279 . A 56 GLN H H 1 7.994 . A 56 GLN HA H 1 4.036 . A 56 GLN HBx H 1 2.238 . A 56 GLN HBy H 1 2.494 . A 56 GLN HE2y H 1 8.173 . A 56 GLN HE2x H 1 6.998 . A 56 GLN HGx H 1 2.765 . A 56 GLN HGy H 1 2.765 . A 56 GLN CA C 13 57.329 . A 56 GLN CB C 13 25.312 . A 56 GLN CG C 13 32.371 . A 56 GLN N N 15 117.830 . A 56 GLN NE2 N 15 112.469 . A 57 ASN H H 1 8.715 . A 57 ASN HA H 1 4.632 . A 57 ASN HBy H 1 2.956 . A 57 ASN HBx H 1 2.586 . A 57 ASN HD2y H 1 9.043 . A 57 ASN HD2x H 1 8.513 . A 57 ASN CA C 13 55.637 . A 57 ASN CB C 13 35.824 . A 57 ASN N N 15 119.840 . A 57 ASN ND2 N 15 123.741 . A 58 ARG H H 1 8.806 . A 58 ARG HA H 1 3.656 . A 58 ARG HBx H 1 -0.455 . A 58 ARG HBy H 1 0.578 . A 58 ARG HGx H 1 -0.686 . A 58 ARG HGy H 1 -0.201 . A 58 ARG CA C 13 53.865 . A 58 ARG CB C 13 25.436 . A 58 ARG CG C 13 21.098 . A 58 ARG N N 15 125.366 . A 59 ARG H H 1 8.345 . A 59 ARG HBx H 1 2.414 . A 59 ARG HGy H 1 2.353 . A 59 ARG CB C 13 29.582 . A 59 ARG CG C 13 29.707 . A 59 ARG N N 15 120.172 . A 60 ALA H H 1 7.587 . A 60 ALA HA H 1 4.420 . A 60 ALA HB% H 1 1.701 . A 60 ALA CA C 13 53.005 . A 60 ALA CB C 13 15.567 . A 60 ALA N N 15 122.418 . A 61 LYS H H 1 7.856 . A 61 LYS HA H 1 4.003 . A 61 LYS HBx H 1 1.849 . A 61 LYS HBy H 1 2.004 . A 61 LYS HDy H 1 1.728 . A 61 LYS HDx H 1 1.531 . A 61 LYS HEx H 1 2.895 . A 61 LYS HEy H 1 2.895 . A 61 LYS HGy H 1 1.501 . A 61 LYS HGx H 1 1.279 . A 61 LYS CA C 13 57.164 . A 61 LYS CB C 13 30.390 . A 61 LYS CD C 13 27.664 . A 61 LYS CE C 13 39.685 . A 61 LYS CG C 13 22.738 . A 61 LYS N N 15 119.912 . A 62 TRP H H 1 8.265 . A 62 TRP HA H 1 4.535 . A 62 TRP HBx H 1 3.424 . A 62 TRP HBy H 1 3.934 . A 62 TRP HD1 H 1 7.527 . A 62 TRP HE1 H 1 10.390 . A 62 TRP HE3 H 1 7.832 . A 62 TRP HH2 H 1 7.350 . A 62 TRP HZ2 H 1 7.591 . A 62 TRP HZ3 H 1 7.246 . A 62 TRP CA C 13 57.359 . A 62 TRP CB C 13 27.020 . A 62 TRP CD1 C 13 124.904 . A 62 TRP CE3 C 13 118.045 . A 62 TRP CH2 C 13 122.271 . A 62 TRP CZ2 C 13 112.242 . A 62 TRP CZ3 C 13 119.526 . A 62 TRP N N 15 119.782 . A 62 TRP NE1 N 15 130.137 . A 63 LYS H H 1 8.262 . A 63 LYS HA H 1 3.713 . A 63 LYS HBx H 1 2.005 . A 63 LYS HBy H 1 2.046 . A 63 LYS HDx H 1 1.782 . A 63 LYS HDy H 1 1.782 . A 63 LYS HEx H 1 3.059 . A 63 LYS HEy H 1 3.059 . A 63 LYS HGy H 1 1.693 . A 63 LYS HGx H 1 1.470 . A 63 LYS CA C 13 56.518 . A 63 LYS CB C 13 30.224 . A 63 LYS CD C 13 26.819 . A 63 LYS CE C 13 40.021 . A 63 LYS CG C 13 23.199 . A 63 LYS N N 15 117.139 . A 64 ARG H H 1 7.737 . A 64 ARG HA H 1 4.192 . A 64 ARG HBx H 1 1.962 . A 64 ARG HBy H 1 2.058 . A 64 ARG HDx H 1 3.339 . A 64 ARG HDy H 1 3.339 . A 64 ARG HGy H 1 1.894 . A 64 ARG HGx H 1 1.670 . A 64 ARG CA C 13 56.249 . A 64 ARG CB C 13 28.227 . A 64 ARG CD C 13 41.391 . A 64 ARG CG C 13 25.551 . A 64 ARG N N 15 118.868 . A 65 ILE H H 1 8.010 . A 65 ILE HA H 1 4.012 . A 65 ILE HB H 1 1.995 . A 65 ILE HD1% H 1 0.885 . A 65 ILE HG1y H 1 1.611 . A 65 ILE HG1x H 1 1.326 . A 65 ILE HG2% H 1 0.938 . A 65 ILE CA C 13 60.187 . A 65 ILE CB C 13 35.588 . A 65 ILE CD1 C 13 10.644 . A 65 ILE CG1 C 13 25.804 . A 65 ILE CG2 C 13 15.004 . A 65 ILE N N 15 119.744 . A 66 LYS H H 1 8.055 . A 66 LYS HA H 1 4.106 . A 66 LYS HBy H 1 1.643 . A 66 LYS HBx H 1 1.598 . A 66 LYS HDy H 1 1.418 . A 66 LYS HDx H 1 1.386 . A 66 LYS HGx H 1 1.207 . A 66 LYS HGy H 1 1.239 . A 66 LYS CA C 13 54.657 . A 66 LYS CB C 13 29.634 . A 66 LYS CD C 13 26.413 . A 66 LYS CG C 13 21.791 . A 66 LYS N N 15 122.316 . A 67 ALA H H 1 7.846 . A 67 ALA HA H 1 4.291 . A 67 ALA HB% H 1 1.460 . A 67 ALA CA C 13 50.463 . A 67 ALA CB C 13 16.535 . A 67 ALA N N 15 122.520 . A 68 GLY H H 1 8.053 . A 68 GLY HAx H 1 4.006 . A 68 GLY HAy H 1 4.006 . A 68 GLY CA C 13 42.991 . A 68 GLY N N 15 106.371 . A 69 ASN H H 1 8.166 . A 69 ASN HA H 1 4.832 . A 69 ASN HBx H 1 2.785 . A 69 ASN HBy H 1 2.906 . A 69 ASN HD2x H 1 6.912 . A 69 ASN HD2y H 1 7.570 . A 69 ASN CA C 13 50.749 . A 69 ASN CB C 13 36.737 . A 69 ASN N N 15 118.766 . A 69 ASN ND2 N 15 112.594 . A 70 VAL H H 1 8.087 . A 70 VAL HA H 1 4.265 . A 70 VAL HB H 1 2.210 . A 70 VAL HGx% H 1 0.991 . A 70 VAL HGy% H 1 0.977 . A 70 VAL CA C 13 59.765 . A 70 VAL CB C 13 30.482 . A 70 VAL CGy C 13 18.943 . A 70 VAL CGx C 13 17.737 . A 70 VAL N N 15 119.471 . A 71 SER H H 1 7.950 . A 71 SER HA H 1 4.329 . A 71 SER HBx H 1 3.887 . A 71 SER HBy H 1 3.887 . A 71 SER CA C 13 57.378 . A 71 SER CB C 13 62.424 . A 71 SER N N 15 124.453 . 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 61 LYS HGx A 62 TRP HE1 1.0 . 5.50 2 2 A 13 ALA H A 14 PHE HBx 1.0 . 5.32 3 3 A 13 ALA H A 14 PHE HDy 1.0 . 5.16 4 4 A 13 ALA H A 12 THR HA 1.0 . 2.81 5 5 A 13 ALA H A 12 THR HB 1.0 . 4.12 6 6 A 13 ALA H A 14 PHE H 1.0 . 4.78 7 7 A 54 TRP HBx A 54 TRP HE1 1.0 . 5.23 8 8 A 54 TRP HE1 A 19 LEU HDx% 1.0 . 4.88 9 9 A 54 TRP HE1 A 22 LEU HDy% 1.0 . 4.96 10 10 A 54 TRP HE1 A 19 LEU HA 1.0 . 5.38 11 11 A 12 THR H A 10 ARG HDx 1.0 . 5.50 12 11 A 10 ARG HDy A 12 THR H 1.0 . 5.50 13 12 A 12 THR H A 12 THR HG2% 1.0 . 4.76 14 13 A 12 THR H A 11 ARG H 1.0 . 4.71 15 14 A 12 THR H A 11 ARG HA 1.0 . 3.37 16 15 A 12 THR H A 11 ARG HBy 1.0 . 4.46 17 16 A 12 THR HB A 12 THR H 1.0 . 3.51 18 17 A 58 ARG H A 60 ALA H 1.0 . 4.97 19 18 A 58 ARG H A 55 PHE HD% 1.0 . 5.37 20 19 A 58 ARG H A 59 ARG H 1.0 . 3.85 21 20 A 58 ARG H A 55 PHE HA 1.0 . 4.22 22 21 A 58 ARG H A 58 ARG HBy 1.0 . 3.69 23 22 A 58 ARG H A 58 ARG HBx 1.0 . 3.67 24 23 A 58 ARG H A 57 ASN HBy 1.0 . 4.37 25 24 A 58 ARG H A 57 ASN HBx 1.0 . 4.52 26 25 A 9 ARG H A 9 ARG HDx 1.0 . 5.00 27 25 A 9 ARG H A 9 ARG HDy 1.0 . 5.00 28 26 A 9 ARG H A 9 ARG HBx 1.0 . 3.14 29 27 A 14 PHE H A 19 LEU HDy% 1.0 . 5.10 30 28 A 14 PHE H A 14 PHE HDx 1.0 . 4.10 31 29 A 14 PHE H A 13 ALA HA 1.0 . 2.95 32 30 A 14 PHE H A 14 PHE HBy 1.0 . 3.93 33 31 A 14 PHE HBx A 14 PHE H 1.0 . 3.50 34 32 A 14 PHE H A 13 ALA HB% 1.0 . 3.90 35 33 A 53 ILE HA A 57 ASN HD2y 1.0 . 5.46 36 34 A 54 TRP HA A 57 ASN HD2x 1.0 . 5.10 37 35 A 57 ASN HD2y A 54 TRP HA 1.0 . 5.50 38 36 A 11 ARG H A 10 ARG HA 1.0 . 2.81 39 37 A 11 ARG H A 11 ARG HBy 1.0 . 3.22 40 38 A 54 TRP H A 54 TRP HBy 1.0 . 3.36 41 39 A 54 TRP H A 53 ILE HB 1.0 . 3.77 42 40 A 54 TRP H A 56 GLN H 1.0 . 5.50 43 41 A 54 TRP H A 53 ILE HG2% 1.0 . 5.20 44 42 A 36 GLU H A 37 ARG HA 1.0 . 5.04 45 43 A 36 GLU H A 36 GLU HBx 1.0 . 3.97 46 44 A 36 GLU H A 35 THR H 1.0 . 3.96 47 45 A 36 GLU H A 33 SER H 1.0 . 4.37 48 46 A 9 ARG H A 10 ARG H 1.0 . 4.56 49 47 A 10 ARG H A 9 ARG HA 1.0 . 2.72 50 48 A 10 ARG H A 8 ARG HDx 1.0 . 4.79 51 48 A 10 ARG H A 8 ARG HDy 1.0 . 4.79 52 49 A 10 ARG H A 10 ARG HBx 1.0 . 2.88 53 50 A 66 LYS H A 67 ALA H 1.0 . 3.62 54 51 A 36 GLU H A 34 LEU HBx 1.0 . 5.16 55 52 A 11 ARG H A 10 ARG H 1.0 . 4.08 56 53 A 67 ALA H A 63 LYS HA 1.0 . 5.30 57 54 A 60 ALA H A 57 ASN HA 1.0 . 4.90 58 55 A 60 ALA H A 61 LYS H 1.0 . 3.64 59 56 A 60 ALA H A 61 LYS HBy 1.0 . 4.68 60 57 A 19 LEU HA A 22 LEU H 1.0 . 4.62 61 58 A 22 LEU H A 21 GLU HGx 1.0 . 5.50 62 59 A 22 LEU H A 21 GLU HBx 1.0 . 4.03 63 60 A 22 LEU H A 40 ILE HG1x 1.0 . 3.69 64 60 A 22 LEU H A 40 ILE HG1y 1.0 . 3.69 65 61 A 22 LEU H A 22 LEU HBy 1.0 . 3.68 66 62 A 66 LYS H A 65 ILE HB 1.0 . 3.62 67 63 A 66 LYS H A 66 LYS HBx 1.0 . 3.17 68 64 A 66 LYS H A 63 LYS HA 1.0 . 5.17 69 65 A 60 ALA H A 58 ARG HA 1.0 . 5.25 70 66 A 47 SER HBx A 48 GLU H 1.0 . 4.97 71 67 A 48 GLU H A 47 SER HBy 1.0 . 4.54 72 68 A 48 GLU H A 48 GLU HGy 1.0 . 4.59 73 69 A 48 GLU H A 41 ALA HB% 1.0 . 5.48 74 70 A 22 LEU H A 21 GLU HGy 1.0 . 5.50 75 71 A 22 LEU H A 22 LEU HDx% 1.0 . 4.38 76 72 A 29 LYS H A 29 LYS HGy 1.0 . 4.35 77 73 A 29 LYS H A 28 CYS H 1.0 . 3.22 78 74 A 29 LYS H A 28 CYS HBx 1.0 . 3.51 79 74 A 29 LYS H A 28 CYS HBy 1.0 . 3.51 80 75 A 29 LYS H A 29 LYS HBx 1.0 . 3.76 81 76 A 29 LYS H A 29 LYS HEx 1.0 . 5.31 82 76 A 29 LYS H A 29 LYS HEy 1.0 . 5.31 83 77 A 34 LEU H A 34 LEU HDy% 1.0 . 4.75 84 78 A 34 LEU H A 34 LEU HBy 1.0 . 3.48 85 79 A 40 ILE HA A 43 ALA H 1.0 . 4.30 86 80 A 43 ALA H A 45 LYS H 1.0 . 5.17 87 81 A 43 ALA H A 44 LEU HA 1.0 . 4.75 88 82 A 41 ALA H A 51 VAL HGy% 1.0 . 4.02 89 83 A 41 ALA H A 40 ILE HB 1.0 . 3.54 90 84 A 37 ARG HBx A 39 GLN H 1.0 . 5.27 91 85 A 41 ALA HB% A 40 ILE H 1.0 . 5.50 92 86 A 39 GLN H A 39 GLN HGy 1.0 . 3.69 93 87 A 39 GLN H A 39 GLN HBy 1.0 . 3.14 94 88 A 40 ILE HB A 39 GLN H 1.0 . 4.81 95 89 A 26 PHE H A 24 LYS HGx 1.0 . 5.50 96 89 A 24 LYS HGy A 26 PHE H 1.0 . 5.50 97 90 A 39 GLN H A 37 ARG H 1.0 . 4.79 98 91 A 26 PHE H A 25 GLU HBx 1.0 . 3.71 99 91 A 26 PHE H A 25 GLU HBy 1.0 . 3.71 100 92 A 39 GLN H A 40 ILE H 1.0 . 3.52 101 93 A 40 ILE HB A 40 ILE H 1.0 . 3.03 102 94 A 40 ILE H A 40 ILE HG2% 1.0 . 4.16 103 95 A 40 ILE H A 39 GLN HGx 1.0 . 4.58 104 96 A 26 PHE H A 26 PHE HD% 1.0 . 4.61 105 97 A 26 PHE H A 24 LYS HA 1.0 . 5.50 106 98 A 23 GLU HGx A 24 LYS H 1.0 . 4.92 107 99 A 24 LYS H A 23 GLU HBx 1.0 . 2.99 108 100 A 24 LYS H A 21 GLU H 1.0 . 5.50 109 101 A 52 LYS H A 52 LYS HBy 1.0 . 3.11 110 102 A 52 LYS H A 52 LYS HBx 1.0 . 3.43 111 103 A 51 VAL HGy% A 52 LYS H 1.0 . 4.18 112 104 A 52 LYS H A 50 GLN HA 1.0 . 5.14 113 105 A 52 LYS H A 53 ILE HD1% 1.0 . 5.42 114 106 A 52 LYS H A 52 LYS HDx 1.0 . 4.92 115 106 A 52 LYS H A 52 LYS HDy 1.0 . 4.92 116 107 A 52 LYS H A 53 ILE HG1x 1.0 . 5.31 117 108 A 36 GLU HBx A 33 SER H 1.0 . 3.96 118 109 A 33 SER H A 32 LEU HBx 1.0 . 3.76 119 109 A 33 SER H A 32 LEU HBy 1.0 . 3.76 120 110 A 52 LYS H A 49 VAL H 1.0 . 5.48 121 111 A 17 GLU H A 18 GLN HBy 1.0 . 4.87 122 112 A 17 GLU H A 15 THR HG2% 1.0 . 5.04 123 113 A 17 GLU H A 16 SER H 1.0 . 3.92 124 114 A 17 GLU H A 15 THR HB 1.0 . 3.71 125 115 A 17 GLU H A 15 THR HA 1.0 . 4.44 126 116 A 31 TYR HD% A 32 LEU H 1.0 . 4.96 127 117 A 32 LEU H A 55 PHE HE% 1.0 . 4.90 128 118 A 32 LEU H A 31 TYR HA 1.0 . 3.25 129 119 A 32 LEU H A 29 LYS HEx 1.0 . 4.64 130 119 A 29 LYS HEy A 32 LEU H 1.0 . 4.64 131 120 A 32 LEU H A 32 LEU HBx 1.0 . 3.48 132 120 A 32 LEU HBy A 32 LEU H 1.0 . 3.48 133 121 A 54 TRP HA A 53 ILE H 1.0 . 5.14 134 122 A 32 LEU H A 29 LYS HDx 1.0 . 5.34 135 122 A 32 LEU H A 29 LYS HDy 1.0 . 5.34 136 123 A 60 ALA H A 59 ARG H 1.0 . 3.64 137 124 A 59 ARG H A 60 ALA HB% 1.0 . 5.38 138 125 A 59 ARG H A 58 ARG HBx 1.0 . 4.45 139 126 A 59 ARG H A 58 ARG HBy 1.0 . 4.31 140 127 A 32 LEU H A 31 TYR H 1.0 . 5.37 141 128 A 59 ARG H A 61 LYS H 1.0 . 4.83 142 129 A 54 TRP H A 53 ILE H 1.0 . 4.32 143 130 A 50 GLN HA A 53 ILE H 1.0 . 4.69 144 131 A 53 ILE HB A 53 ILE H 1.0 . 3.10 145 132 A 53 ILE H A 53 ILE HG1y 1.0 . 4.41 146 133 A 52 LYS HBx A 53 ILE H 1.0 . 4.37 147 134 A 61 LYS H A 58 ARG HA 1.0 . 4.61 148 135 A 61 LYS H A 61 LYS HGy 1.0 . 4.62 149 136 A 52 LYS H A 50 GLN H 1.0 . 4.92 150 137 A 61 LYS HGx A 61 LYS H 1.0 . 5.02 151 138 A 61 LYS H A 61 LYS HBx 1.0 . 3.36 152 139 A 61 LYS H A 62 TRP H 1.0 . 3.55 153 140 A 61 LYS H A 61 LYS HBy 1.0 . 3.32 154 141 A 50 GLN H A 50 GLN HGy 1.0 . 3.57 155 141 A 50 GLN H A 50 GLN HGx 1.0 . 3.57 156 142 A 50 GLN H A 50 GLN HBy 1.0 . 3.50 157 143 A 50 GLN H A 50 GLN HBx 1.0 . 3.31 158 144 A 50 GLN H A 47 SER H 1.0 . 4.64 159 145 A 44 LEU HA A 46 LEU H 1.0 . 5.20 160 146 A 46 LEU H A 45 LYS HA 1.0 . 3.25 161 147 A 46 LEU H A 45 LYS HBy 1.0 . 4.98 162 148 A 46 LEU H A 46 LEU HG 1.0 . 3.99 163 149 A 46 LEU H A 46 LEU HBx 1.0 . 3.42 164 150 A 47 SER H A 46 LEU H 1.0 . 4.53 165 151 A 61 LYS HGy A 62 TRP H 1.0 . 5.50 166 152 A 62 TRP H A 62 TRP HBy 1.0 . 3.82 167 153 A 62 TRP H A 62 TRP HBx 1.0 . 3.61 168 154 A 61 LYS HBy A 62 TRP H 1.0 . 4.15 169 155 A 61 LYS HBx A 62 TRP H 1.0 . 4.04 170 156 A 26 PHE H A 25 GLU H 1.0 . 3.91 171 157 A 25 GLU H A 22 LEU HA 1.0 . 4.85 172 158 A 67 ALA H A 65 ILE H 1.0 . 4.47 173 159 A 65 ILE H A 65 ILE HG1y 1.0 . 3.59 174 160 A 65 ILE H A 64 ARG H 1.0 . 3.39 175 161 A 63 LYS HA A 65 ILE H 1.0 . 5.25 176 162 A 65 ILE H A 65 ILE HG2% 1.0 . 4.14 177 163 A 53 ILE H A 51 VAL H 1.0 . 5.07 178 164 A 57 ASN HD2y A 57 ASN H 1.0 . 5.25 179 165 A 57 ASN HBy A 57 ASN H 1.0 . 3.64 180 166 A 24 LYS H A 25 GLU H 1.0 . 3.62 181 167 A 25 GLU H A 25 GLU HGx 1.0 . 3.95 182 167 A 25 GLU H A 25 GLU HGy 1.0 . 3.95 183 168 A 25 GLU H A 25 GLU HBx 1.0 . 3.20 184 168 A 25 GLU HBy A 25 GLU H 1.0 . 3.20 185 169 A 65 ILE H A 63 LYS H 1.0 . 5.21 186 170 A 65 ILE H A 62 TRP HA 1.0 . 4.65 187 171 A 57 ASN H A 55 PHE HBx 1.0 . 5.50 188 172 A 69 ASN HBy A 70 VAL H 1.0 . 4.82 189 173 A 70 VAL H A 70 VAL HGy% 1.0 . 5.08 190 174 A 70 VAL H A 71 SER H 1.0 . 4.64 191 175 A 37 ARG H A 32 LEU HDy% 1.0 . 5.50 192 176 A 34 LEU HDy% A 37 ARG H 1.0 . 5.50 193 177 A 37 ARG H A 32 LEU HDx% 1.0 . 5.42 194 178 A 37 ARG H A 38 SER H 1.0 . 3.58 195 179 A 36 GLU H A 37 ARG H 1.0 . 3.57 196 180 A 37 ARG HBx A 37 ARG H 1.0 . 3.38 197 181 A 37 ARG H A 32 LEU HBx 1.0 . 4.04 198 181 A 37 ARG H A 32 LEU HBy 1.0 . 4.04 199 182 A 33 SER H A 37 ARG H 1.0 . 5.45 200 183 A 37 ARG H A 36 GLU HBy 1.0 . 3.62 201 184 A 19 LEU H A 20 LEU H 1.0 . 3.89 202 185 A 20 LEU H A 20 LEU HBy 1.0 . 3.12 203 186 A 20 LEU H A 20 LEU HBx 1.0 . 3.36 204 187 A 20 LEU H A 20 LEU HDx% 1.0 . 4.61 205 187 A 20 LEU H A 20 LEU HDy% 1.0 . 4.61 206 188 A 64 ARG H A 63 LYS HBy 1.0 . 2.98 207 188 A 64 ARG H A 63 LYS HBx 1.0 . 2.98 208 189 A 20 LEU H A 22 LEU HBx 1.0 . 4.96 209 190 A 53 ILE HB A 55 PHE H 1.0 . 5.16 210 191 A 55 PHE H A 52 LYS HA 1.0 . 4.90 211 192 A 54 TRP H A 55 PHE H 1.0 . 3.96 212 193 A 55 PHE HD% A 55 PHE H 1.0 . 3.81 213 194 A 55 PHE H A 54 TRP HE3 1.0 . 4.54 214 195 A 55 PHE H A 55 PHE HBy 1.0 . 3.22 215 196 A 55 PHE H A 51 VAL HGx% 1.0 . 5.50 216 197 A 48 GLU H A 49 VAL H 1.0 . 4.05 217 198 A 47 SER HBy A 49 VAL H 1.0 . 3.96 218 199 A 49 VAL H A 50 GLN H 1.0 . 3.65 219 200 A 49 VAL H A 49 VAL HB 1.0 . 3.34 220 201 A 21 GLU H A 22 LEU HBx 1.0 . 5.23 221 202 A 49 VAL H A 47 SER HA 1.0 . 4.73 222 203 A 15 THR H A 18 GLN H 1.0 . 4.38 223 204 A 17 GLU H A 18 GLN H 1.0 . 3.52 224 205 A 19 LEU H A 18 GLN H 1.0 . 3.63 225 206 A 18 GLN H A 16 SER HA 1.0 . 4.62 226 207 A 15 THR HA A 18 GLN H 1.0 . 4.98 227 208 A 18 GLN HBy A 18 GLN H 1.0 . 3.25 228 209 A 19 LEU HDy% A 18 GLN H 1.0 . 5.50 229 210 A 15 THR HB A 18 GLN H 1.0 . 4.71 230 211 A 22 LEU H A 21 GLU H 1.0 . 3.62 231 212 A 21 GLU H A 20 LEU H 1.0 . 3.56 232 213 A 21 GLU HGy A 21 GLU H 1.0 . 3.78 233 214 A 21 GLU H A 20 LEU HBx 1.0 . 3.74 234 215 A 21 GLU H A 44 LEU HDx% 1.0 . 4.77 235 216 A 22 LEU HDy% A 21 GLU H 1.0 . 5.50 236 217 A 52 LYS H A 51 VAL H 1.0 . 3.54 237 218 A 50 GLN HBy A 51 VAL H 1.0 . 4.06 238 219 A 51 VAL H A 51 VAL HB 1.0 . 3.24 239 220 A 41 ALA HB% A 51 VAL H 1.0 . 5.50 240 221 A 56 GLN H A 55 PHE H 1.0 . 3.69 241 222 A 56 GLN H A 56 GLN HGx 1.0 . 4.07 242 222 A 56 GLN H A 56 GLN HGy 1.0 . 4.07 243 223 A 56 GLN H A 56 GLN HBx 1.0 . 4.19 244 224 A 56 GLN H A 57 ASN H 1.0 . 3.61 245 225 A 56 GLN H A 56 GLN HE2x 1.0 . 5.50 246 226 A 56 GLN H A 55 PHE HBx 1.0 . 5.33 247 227 A 51 VAL H A 50 GLN HGy 1.0 . 5.40 248 227 A 50 GLN HGx A 51 VAL H 1.0 . 5.40 249 228 A 22 LEU HDy% A 23 GLU H 1.0 . 5.50 250 229 A 19 LEU HA A 23 GLU H 1.0 . 5.30 251 230 A 56 GLN H A 56 GLN HE2y 1.0 . 5.27 252 231 A 22 LEU H A 23 GLU H 1.0 . 3.91 253 232 A 23 GLU H A 54 TRP HZ2 1.0 . 5.23 254 233 A 23 GLU H A 20 LEU HA 1.0 . 4.42 255 234 A 23 GLU H A 23 GLU HGy 1.0 . 4.27 256 235 A 23 GLU H A 23 GLU HBy 1.0 . 3.58 257 236 A 22 LEU HBx A 23 GLU H 1.0 . 4.40 258 237 A 24 LYS H A 23 GLU H 1.0 . 4.08 259 238 A 21 GLU H A 23 GLU H 1.0 . 4.75 260 239 A 23 GLU HBx A 23 GLU H 1.0 . 3.62 261 240 A 22 LEU HBy A 23 GLU H 1.0 . 4.01 262 241 A 23 GLU H A 40 ILE HG1x 1.0 . 5.24 263 241 A 40 ILE HG1y A 23 GLU H 1.0 . 5.24 264 242 A 31 TYR HA A 30 LYS H 1.0 . 5.50 265 243 A 22 LEU HDx% A 23 GLU H 1.0 . 5.19 266 244 A 29 LYS HBx A 30 LYS H 1.0 . 4.74 267 245 A 30 LYS H A 30 LYS HBx 1.0 . 4.09 268 246 A 30 LYS H A 30 LYS HGx 1.0 . 3.91 269 246 A 30 LYS H A 30 LYS HGy 1.0 . 3.91 270 247 A 29 LYS H A 30 LYS H 1.0 . 4.77 271 248 A 30 LYS H A 30 LYS HBy 1.0 . 3.66 272 249 A 30 LYS H A 29 LYS HBy 1.0 . 4.88 273 250 A 62 TRP HBy A 63 LYS H 1.0 . 4.05 274 251 A 64 ARG H A 63 LYS H 1.0 . 3.63 275 252 A 63 LYS H A 63 LYS HBy 1.0 . 3.20 276 252 A 63 LYS H A 63 LYS HBx 1.0 . 3.20 277 253 A 62 TRP HBx A 63 LYS H 1.0 . 4.66 278 254 A 63 LYS H A 63 LYS HGx 1.0 . 5.22 279 255 A 30 LYS H A 29 LYS HEx 1.0 . 5.50 280 255 A 29 LYS HEy A 30 LYS H 1.0 . 5.50 281 256 A 14 PHE HBy A 19 LEU H 1.0 . 4.71 282 257 A 45 LYS H A 46 LEU HDy% 1.0 . 5.45 283 258 A 22 LEU HDy% A 19 LEU H 1.0 . 5.50 284 259 A 18 GLN HBy A 19 LEU H 1.0 . 3.74 285 260 A 19 LEU H A 19 LEU HBy 1.0 . 3.49 286 261 A 19 LEU H A 19 LEU HBx 1.0 . 3.76 287 262 A 45 LYS H A 18 GLN HE2y 1.0 . 5.37 288 263 A 45 LYS H A 44 LEU HDy% 1.0 . 5.32 289 264 A 45 LYS H A 46 LEU H 1.0 . 3.31 290 265 A 45 LYS H A 44 LEU H 1.0 . 3.48 291 266 A 45 LYS H A 45 LYS HA 1.0 . 2.89 292 267 A 45 LYS H A 45 LYS HGx 1.0 . 3.61 293 267 A 45 LYS H A 45 LYS HGy 1.0 . 3.61 294 268 A 19 LEU H A 15 THR H 1.0 . 4.68 295 269 A 16 SER H A 17 GLU HGx 1.0 . 5.50 296 269 A 16 SER H A 17 GLU HGy 1.0 . 5.50 297 270 A 15 THR HG2% A 16 SER H 1.0 . 4.49 298 271 A 16 SER H A 15 THR HB 1.0 . 3.57 299 272 A 16 SER H A 16 SER HBy 1.0 . 4.11 300 273 A 16 SER H A 16 SER HBx 1.0 . 3.52 301 274 A 50 GLN HE2y A 51 VAL HA 1.0 . 5.50 302 275 A 51 VAL HA A 50 GLN HE2x 1.0 . 5.16 303 276 A 14 PHE HDy A 50 GLN HE2x 1.0 . 5.26 304 277 A 50 GLN HBx A 50 GLN HE2x 1.0 . 5.50 305 278 A 51 VAL HGy% A 50 GLN HE2x 1.0 . 5.50 306 279 A 50 GLN HBy A 50 GLN HE2x 1.0 . 5.50 307 280 A 27 HIS H A 27 HIS HD2 1.0 . 5.50 308 281 A 26 PHE HD% A 27 HIS H 1.0 . 5.50 309 282 A 28 CYS H A 27 HIS H 1.0 . 3.60 310 283 A 27 HIS H A 25 GLU HA 1.0 . 5.02 311 284 A 29 LYS H A 27 HIS H 1.0 . 4.81 312 285 A 26 PHE H A 27 HIS H 1.0 . 3.86 313 286 A 27 HIS H A 25 GLU HGx 1.0 . 5.50 314 286 A 25 GLU HGy A 27 HIS H 1.0 . 5.50 315 287 A 28 CYS H A 29 LYS HGx 1.0 . 5.50 316 288 A 28 CYS H A 28 CYS HBx 1.0 . 3.09 317 288 A 28 CYS H A 28 CYS HBy 1.0 . 3.09 318 289 A 28 CYS H A 29 LYS HBx 1.0 . 5.32 319 290 A 28 CYS H A 25 GLU HA 1.0 . 5.14 320 291 A 28 CYS H A 29 LYS HDx 1.0 . 5.50 321 291 A 28 CYS H A 29 LYS HDy 1.0 . 5.50 322 292 A 14 PHE HDy A 47 SER H 1.0 . 5.28 323 293 A 50 GLN HBx A 47 SER H 1.0 . 4.46 324 294 A 47 SER H A 46 LEU HBx 1.0 . 3.92 325 295 A 47 SER HBx A 47 SER H 1.0 . 3.71 326 296 A 50 GLN HBy A 47 SER H 1.0 . 3.96 327 297 A 47 SER H A 46 LEU HBy 1.0 . 3.65 328 298 A 47 SER H A 50 GLN HGy 1.0 . 4.70 329 298 A 50 GLN HGx A 47 SER H 1.0 . 4.70 330 299 A 47 SER H A 46 LEU HDx% 1.0 . 4.72 331 300 A 47 SER H A 46 LEU HG 1.0 . 5.21 332 301 A 42 HIS H A 43 ALA HB% 1.0 . 4.88 333 302 A 42 HIS H A 39 GLN HA 1.0 . 3.82 334 303 A 41 ALA HB% A 42 HIS H 1.0 . 3.59 335 304 A 40 ILE HG2% A 42 HIS H 1.0 . 5.50 336 305 A 40 ILE HA A 44 LEU H 1.0 . 4.91 337 306 A 44 LEU H A 45 LYS HGx 1.0 . 5.50 338 306 A 44 LEU H A 45 LYS HGy 1.0 . 5.50 339 307 A 44 LEU H A 44 LEU HG 1.0 . 3.68 340 308 A 44 LEU H A 44 LEU HBx 1.0 . 3.17 341 308 A 44 LEU H A 44 LEU HBy 1.0 . 3.17 342 309 A 43 ALA H A 44 LEU H 1.0 . 3.49 343 310 A 44 LEU H A 42 HIS HA 1.0 . 4.87 344 311 A 46 LEU H A 44 LEU H 1.0 . 4.52 345 312 A 19 LEU HDy% A 15 THR H 1.0 . 5.39 346 313 A 14 PHE H A 15 THR H 1.0 . 4.58 347 314 A 12 THR HG2% A 15 THR H 1.0 . 5.50 348 315 A 15 THR H A 14 PHE HA 1.0 . 3.14 349 316 A 14 PHE HBy A 15 THR H 1.0 . 4.00 350 317 A 18 GLN HBy A 15 THR H 1.0 . 3.57 351 318 A 35 THR H A 34 LEU H 1.0 . 4.42 352 319 A 35 THR H A 34 LEU HBx 1.0 . 4.44 353 320 A 35 THR H A 36 GLU HGx 1.0 . 5.41 354 320 A 35 THR H A 36 GLU HGy 1.0 . 5.41 355 321 A 35 THR H A 34 LEU HBy 1.0 . 4.44 356 322 A 38 SER H A 38 SER HA 1.0 . 2.90 357 323 A 37 ARG HBx A 38 SER H 1.0 . 4.15 358 324 A 36 GLU H A 38 SER H 1.0 . 5.19 359 325 A 38 SER H A 37 ARG HGx 1.0 . 5.50 360 325 A 38 SER H A 37 ARG HGy 1.0 . 5.50 361 326 A 31 TYR H A 30 LYS H 1.0 . 3.36 362 327 A 31 TYR H A 29 LYS HA 1.0 . 4.44 363 328 A 31 TYR H A 29 LYS HEx 1.0 . 4.67 364 328 A 29 LYS HEy A 31 TYR H 1.0 . 4.67 365 329 A 31 TYR H A 30 LYS HBy 1.0 . 4.44 366 330 A 31 TYR H A 32 LEU HDx% 1.0 . 5.36 367 331 A 70 VAL H A 69 ASN HD2y 1.0 . 4.80 368 332 A 56 GLN HE2y A 56 GLN HBy 1.0 . 4.37 369 333 A 53 ILE HG1x A 56 GLN HE2y 1.0 . 5.50 370 334 A 56 GLN HE2y A 56 GLN HA 1.0 . 5.50 371 335 A 56 GLN HE2x A 56 GLN HBy 1.0 . 4.85 372 336 A 56 GLN HBx A 56 GLN HE2x 1.0 . 4.59 373 337 A 53 ILE HD1% A 56 GLN HE2x 1.0 . 5.50 374 338 A 39 GLN HBy A 39 GLN HE2y 1.0 . 5.32 375 339 A 39 GLN HE2y A 35 THR HG2% 1.0 . 5.27 376 340 A 35 THR HG2% A 39 GLN HE2x 1.0 . 5.50 377 341 A 18 GLN HE2y A 18 GLN HA 1.0 . 5.43 378 342 A 46 LEU HDy% A 18 GLN HE2y 1.0 . 5.08 379 343 A 46 LEU HG A 18 GLN HE2y 1.0 . 4.73 380 344 A 18 GLN HE2y A 44 LEU HDy% 1.0 . 5.50 381 345 A 46 LEU HG A 18 GLN HE2x 1.0 . 4.95 382 346 A 46 LEU HDx% A 18 GLN HE2x 1.0 . 5.11 383 347 A 67 ALA H A 68 GLY H 1.0 . 4.32 384 348 A 68 GLY H A 67 ALA HB% 1.0 . 5.05 385 349 A 37 ARG HBy A 32 LEU HBx 1.0 . 4.57 386 349 A 32 LEU HBy A 37 ARG HBy 1.0 . 4.57 387 350 A 36 GLU HBy A 32 LEU HBx 1.0 . 4.80 388 350 A 32 LEU HBy A 36 GLU HBy 1.0 . 4.80 389 351 A 9 ARG HA A 9 ARG HDx 1.0 . 4.06 390 351 A 9 ARG HDy A 9 ARG HA 1.0 . 4.06 391 352 A 9 ARG HGx A 9 ARG HDx 1.0 . 2.91 392 352 A 9 ARG HDy A 9 ARG HGx 1.0 . 2.91 393 353 A 8 ARG HDy A 8 ARG HGx 1.0 . 2.95 394 353 A 8 ARG HDx A 8 ARG HGx 1.0 . 2.95 395 353 A 8 ARG HGy A 8 ARG HDx 1.0 . 2.95 396 353 A 8 ARG HDy A 8 ARG HGy 1.0 . 2.95 397 354 A 8 ARG HBy A 8 ARG HDx 1.0 . 2.90 398 354 A 8 ARG HDy A 8 ARG HBy 1.0 . 2.90 399 355 A 10 ARG H A 10 ARG HDx 1.0 . 4.64 400 355 A 10 ARG HDy A 10 ARG H 1.0 . 4.64 401 356 A 10 ARG HA A 10 ARG HDx 1.0 . 4.68 402 356 A 10 ARG HDy A 10 ARG HA 1.0 . 4.68 403 357 A 10 ARG HGy A 10 ARG HDx 1.0 . 2.72 404 357 A 10 ARG HDy A 10 ARG HGy 1.0 . 2.72 405 358 A 46 LEU HDy% A 44 LEU HBx 1.0 . 5.00 406 358 A 46 LEU HDy% A 44 LEU HBy 1.0 . 5.00 407 359 A 33 SER H A 29 LYS HEx 1.0 . 4.76 408 359 A 33 SER H A 29 LYS HEy 1.0 . 4.76 409 360 A 31 TYR HE% A 29 LYS HEx 1.0 . 5.25 410 360 A 29 LYS HEy A 31 TYR HE% 1.0 . 5.25 411 361 A 63 LYS HBx A 63 LYS HEy 1.0 . 4.28 412 361 A 63 LYS HBx A 63 LYS HEx 1.0 . 4.28 413 362 A 29 LYS HGy A 29 LYS HEx 1.0 . 3.94 414 362 A 29 LYS HGy A 29 LYS HEy 1.0 . 3.94 415 363 A 32 LEU HG A 29 LYS HEx 1.0 . 5.27 416 363 A 29 LYS HEy A 32 LEU HG 1.0 . 5.27 417 364 A 21 GLU H A 20 LEU HBy 1.0 . 3.73 418 365 A 20 LEU HBy A 20 LEU HDx% 1.0 . 3.51 419 365 A 20 LEU HBy A 20 LEU HDy% 1.0 . 3.51 420 366 A 20 LEU HBx A 20 LEU HDx% 1.0 . 3.53 421 366 A 20 LEU HBx A 20 LEU HDy% 1.0 . 3.53 422 367 A 61 LYS HGx A 61 LYS HEx 1.0 . 3.71 423 367 A 61 LYS HGx A 61 LYS HEy 1.0 . 3.71 424 368 A 25 GLU HA A 28 CYS HBx 1.0 . 4.00 425 368 A 28 CYS HBy A 25 GLU HA 1.0 . 4.00 426 369 A 29 LYS HGx A 28 CYS HBx 1.0 . 4.42 427 369 A 28 CYS HBy A 29 LYS HGx 1.0 . 4.42 428 370 A 45 LYS HEy A 45 LYS HGx 1.0 . 3.89 429 370 A 45 LYS HGy A 45 LYS HEy 1.0 . 3.89 430 371 A 45 LYS HBy A 45 LYS HEy 1.0 . 3.86 431 372 A 52 LYS HBy A 52 LYS HEx 1.0 . 4.24 432 372 A 52 LYS HBy A 52 LYS HEy 1.0 . 4.24 433 373 A 49 VAL HA A 52 LYS HEx 1.0 . 4.13 434 373 A 52 LYS HEy A 49 VAL HA 1.0 . 4.13 435 374 A 20 LEU H A 19 LEU HBy 1.0 . 4.13 436 375 A 22 LEU HBy A 19 LEU HBx 1.0 . 4.82 437 376 A 20 LEU H A 19 LEU HBx 1.0 . 4.42 438 377 A 34 LEU HDy% A 34 LEU HBy 1.0 . 3.39 439 378 A 34 LEU HBx A 34 LEU HDx% 1.0 . 3.44 440 379 A 14 PHE HBy A 46 LEU HG 1.0 . 3.93 441 380 A 14 PHE HBx A 15 THR H 1.0 . 4.28 442 381 A 14 PHE HBx A 19 LEU HDx% 1.0 . 4.49 443 382 A 55 PHE HBx A 55 PHE H 1.0 . 3.86 444 383 A 56 GLN H A 55 PHE HBy 1.0 . 4.33 445 384 A 69 ASN HBy A 70 VAL HA 1.0 . 4.63 446 385 A 57 ASN HBy A 54 TRP HA 1.0 . 4.43 447 386 A 48 GLU HGy A 48 GLU HA 1.0 . 3.78 448 387 A 48 GLU HGy A 41 ALA HB% 1.0 . 4.00 449 388 A 48 GLU HGy A 49 VAL H 1.0 . 5.35 450 389 A 49 VAL H A 48 GLU HGx 1.0 . 5.50 451 390 A 48 GLU HA A 48 GLU HGx 1.0 . 3.77 452 391 A 65 ILE HB A 65 ILE H 1.0 . 2.96 453 392 A 22 LEU HDy% A 22 LEU HBy 1.0 . 3.86 454 393 A 22 LEU HBx A 40 ILE HG1x 1.0 . 4.35 455 393 A 40 ILE HG1y A 22 LEU HBx 1.0 . 4.35 456 394 A 22 LEU H A 22 LEU HBx 1.0 . 4.00 457 395 A 54 TRP HE1 A 22 LEU HBy 1.0 . 5.19 458 396 A 36 GLU H A 36 GLU HGx 1.0 . 3.88 459 396 A 36 GLU H A 36 GLU HGy 1.0 . 3.88 460 397 A 33 SER H A 36 GLU HGx 1.0 . 4.69 461 397 A 33 SER H A 36 GLU HGy 1.0 . 4.69 462 398 A 17 GLU H A 17 GLU HGx 1.0 . 3.76 463 398 A 17 GLU H A 17 GLU HGy 1.0 . 3.76 464 399 A 44 LEU HDy% A 17 GLU HGx 1.0 . 5.50 465 399 A 44 LEU HDy% A 17 GLU HGy 1.0 . 5.50 466 400 A 18 GLN H A 17 GLU HGx 1.0 . 5.14 467 400 A 18 GLN H A 17 GLU HGy 1.0 . 5.14 468 401 A 17 GLU HA A 17 GLU HGx 1.0 . 3.22 469 401 A 17 GLU HGy A 17 GLU HA 1.0 . 3.22 470 402 A 17 GLU HBy A 17 GLU HGx 1.0 . 2.93 471 402 A 17 GLU HGy A 17 GLU HBy 1.0 . 2.93 472 403 A 17 GLU HBx A 17 GLU HGx 1.0 . 2.89 473 403 A 17 GLU HGy A 17 GLU HBx 1.0 . 2.89 474 404 A 17 GLU HGx A 20 LEU HDx% 1.0 . 4.95 475 404 A 17 GLU HGy A 20 LEU HDx% 1.0 . 4.95 476 404 A 20 LEU HDy% A 17 GLU HGx 1.0 . 4.95 477 404 A 20 LEU HDy% A 17 GLU HGy 1.0 . 4.95 478 405 A 14 PHE HDy A 50 GLN HGy 1.0 . 4.82 479 406 A 50 GLN HE2y A 50 GLN HGy 1.0 . 4.09 480 407 A 50 GLN HA A 50 GLN HGy 1.0 . 3.90 481 408 A 50 GLN H A 50 GLN HGx 1.0 . 3.90 482 409 A 50 GLN HGx A 50 GLN HE2y 1.0 . 4.03 483 410 A 21 GLU HGx A 20 LEU HA 1.0 . 5.47 484 411 A 21 GLU HGx A 20 LEU HBx 1.0 . 4.77 485 412 A 21 GLU HGx A 21 GLU H 1.0 . 3.79 486 413 A 21 GLU HGy A 20 LEU HDx% 1.0 . 5.50 487 413 A 21 GLU HGy A 20 LEU HDy% 1.0 . 5.50 488 414 A 21 GLU HGx A 21 GLU HA 1.0 . 4.11 489 415 A 21 GLU HGx A 20 LEU HBy 1.0 . 4.21 490 416 A 21 GLU HGx A 20 LEU H 1.0 . 5.12 491 417 A 18 GLN HBy A 18 GLN HE2x 1.0 . 4.62 492 418 A 19 LEU HDy% A 18 GLN HBy 1.0 . 4.74 493 419 A 15 THR H A 18 GLN HBx 1.0 . 5.15 494 420 A 18 GLN HE2x A 18 GLN HBx 1.0 . 4.40 495 421 A 21 GLU HGy A 20 LEU H 1.0 . 5.38 496 422 A 18 GLN HE2y A 18 GLN HBx 1.0 . 3.81 497 423 A 15 THR HG2% A 18 GLN HBx 1.0 . 4.83 498 424 A 46 LEU HG A 18 GLN HBx 1.0 . 3.95 499 425 A 23 GLU HGx A 23 GLU H 1.0 . 4.10 500 426 A 22 LEU HA A 25 GLU HGx 1.0 . 5.06 501 426 A 22 LEU HA A 25 GLU HGy 1.0 . 5.06 502 427 A 25 GLU HBy A 25 GLU HGx 1.0 . 2.67 503 427 A 25 GLU HBx A 25 GLU HGx 1.0 . 2.67 504 427 A 25 GLU HGy A 25 GLU HBx 1.0 . 2.67 505 427 A 25 GLU HBy A 25 GLU HGy 1.0 . 2.67 506 428 A 40 ILE HD1% A 25 GLU HGx 1.0 . 4.98 507 428 A 25 GLU HGy A 40 ILE HD1% 1.0 . 4.98 508 429 A 23 GLU HGx A 19 LEU HBx 1.0 . 4.52 509 430 A 40 ILE H A 39 GLN HGy 1.0 . 4.73 510 431 A 39 GLN HGy A 39 GLN HA 1.0 . 3.53 511 432 A 39 GLN HGy A 39 GLN HBy 1.0 . 2.96 512 433 A 39 GLN HBy A 39 GLN HGx 1.0 . 2.90 513 434 A 39 GLN H A 39 GLN HGx 1.0 . 3.93 514 435 A 39 GLN HGx A 36 GLU HA 1.0 . 4.41 515 436 A 12 THR HB A 14 PHE HE% 1.0 . 5.12 516 437 A 52 LYS HBy A 53 ILE H 1.0 . 4.26 517 438 A 11 ARG HBy A 10 ARG HA 1.0 . 5.26 518 439 A 30 LYS HBx A 31 TYR HE% 1.0 . 5.19 519 440 A 41 ALA HB% A 51 VAL HB 1.0 . 4.70 520 441 A 60 ALA HA A 63 LYS HBy 1.0 . 3.86 521 442 A 63 LYS H A 63 LYS HBy 1.0 . 3.35 522 443 A 64 ARG H A 63 LYS HBy 1.0 . 3.83 523 444 A 64 ARG H A 63 LYS HBx 1.0 . 4.04 524 445 A 63 LYS H A 63 LYS HBx 1.0 . 3.35 525 446 A 63 LYS HBx A 60 ALA HA 1.0 . 4.19 526 447 A 52 LYS H A 51 VAL HB 1.0 . 3.70 527 448 A 58 ARG HBy A 59 ARG HGy 1.0 . 5.02 528 449 A 66 LYS H A 66 LYS HBy 1.0 . 3.44 529 450 A 63 LYS HA A 66 LYS HBy 1.0 . 4.94 530 451 A 50 GLN H A 49 VAL HB 1.0 . 3.99 531 452 A 38 SER H A 38 SER HBx 1.0 . 3.13 532 452 A 38 SER H A 38 SER HBy 1.0 . 3.13 533 453 A 9 ARG H A 8 ARG HBy 1.0 . 4.63 534 454 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.67 535 454 A 9 ARG HDy A 9 ARG HBy 1.0 . 3.67 536 455 A 50 GLN HA A 51 VAL HA 1.0 . 4.82 537 456 A 10 ARG H A 9 ARG HBy 1.0 . 4.53 538 457 A 9 ARG H A 9 ARG HBy 1.0 . 4.11 539 458 A 9 ARG HBx A 9 ARG HDx 1.0 . 4.11 540 458 A 9 ARG HDy A 9 ARG HBx 1.0 . 4.11 541 459 A 37 ARG HBx A 51 VAL HGx% 1.0 . 5.03 542 460 A 10 ARG H A 10 ARG HBy 1.0 . 3.49 543 461 A 11 ARG H A 11 ARG HGx 1.0 . 5.22 544 461 A 11 ARG H A 11 ARG HGy 1.0 . 5.22 545 462 A 11 ARG H A 10 ARG HBx 1.0 . 5.07 546 463 A 10 ARG HBx A 10 ARG HDx 1.0 . 4.17 547 463 A 10 ARG HDy A 10 ARG HBx 1.0 . 4.17 548 464 A 65 ILE H A 64 ARG HBy 1.0 . 4.45 549 465 A 65 ILE H A 64 ARG HBx 1.0 . 4.37 550 466 A 10 ARG HBy A 10 ARG HDx 1.0 . 3.93 551 466 A 10 ARG HDy A 10 ARG HBy 1.0 . 3.93 552 467 A 64 ARG H A 64 ARG HBy 1.0 . 3.39 553 468 A 64 ARG H A 64 ARG HBx 1.0 . 3.52 554 469 A 32 LEU HDx% A 36 GLU HBy 1.0 . 4.52 555 470 A 33 SER H A 36 GLU HBy 1.0 . 4.42 556 471 A 36 GLU H A 36 GLU HBy 1.0 . 3.97 557 472 A 64 ARG HBy A 61 LYS HA 1.0 . 4.16 558 473 A 52 LYS HBy A 49 VAL HA 1.0 . 3.84 559 474 A 36 GLU HBx A 32 LEU HBx 1.0 . 4.30 560 474 A 36 GLU HBx A 32 LEU HBy 1.0 . 4.30 561 475 A 62 TRP H A 61 LYS HDx 1.0 . 5.28 562 476 A 35 THR HG2% A 35 THR HA 1.0 . 4.23 563 477 A 21 GLU H A 21 GLU HBy 1.0 . 3.73 564 478 A 21 GLU HBx A 21 GLU H 1.0 . 3.67 565 479 A 61 LYS H A 61 LYS HDy 1.0 . 5.40 566 480 A 25 GLU HBy A 40 ILE HG1x 1.0 . 4.90 567 480 A 25 GLU HBx A 40 ILE HG1x 1.0 . 4.90 568 480 A 40 ILE HG1y A 25 GLU HBx 1.0 . 4.90 569 480 A 40 ILE HG1y A 25 GLU HBy 1.0 . 4.90 570 481 A 53 ILE HD1% A 50 GLN HBy 1.0 . 5.21 571 482 A 51 VAL HGy% A 50 GLN HBx 1.0 . 4.39 572 483 A 62 TRP HBy A 63 LYS HDx 1.0 . 3.75 573 483 A 62 TRP HBy A 63 LYS HDy 1.0 . 3.75 574 484 A 61 LYS HBy A 61 LYS HDy 1.0 . 3.28 575 485 A 61 LYS HA A 61 LYS HDx 1.0 . 4.58 576 486 A 40 ILE HA A 40 ILE HG1x 1.0 . 3.62 577 486 A 40 ILE HG1y A 40 ILE HA 1.0 . 3.62 578 487 A 40 ILE HB A 40 ILE HG1x 1.0 . 2.69 579 487 A 40 ILE HG1y A 40 ILE HB 1.0 . 2.69 580 488 A 40 ILE HG2% A 40 ILE HG1x 1.0 . 3.77 581 488 A 40 ILE HG1y A 40 ILE HG2% 1.0 . 3.77 582 489 A 27 HIS H A 27 HIS HBy 1.0 . 2.74 583 490 A 28 CYS H A 27 HIS HBy 1.0 . 4.52 584 491 A 63 LYS HBx A 63 LYS HDy 1.0 . 2.62 585 491 A 63 LYS HBx A 63 LYS HDx 1.0 . 2.62 586 492 A 63 LYS H A 63 LYS HDx 1.0 . 3.57 587 492 A 63 LYS H A 63 LYS HDy 1.0 . 3.57 588 493 A 53 ILE HG2% A 53 ILE HG1y 1.0 . 2.84 589 494 A 44 LEU HDy% A 45 LYS HDx 1.0 . 3.25 590 494 A 44 LEU HDy% A 45 LYS HDy 1.0 . 3.25 591 495 A 21 GLU HBx A 40 ILE HG1x 1.0 . 4.99 592 495 A 21 GLU HBx A 40 ILE HG1y 1.0 . 4.99 593 496 A 40 ILE H A 40 ILE HG1x 1.0 . 4.11 594 496 A 40 ILE HG1y A 40 ILE H 1.0 . 4.11 595 497 A 22 LEU HDx% A 40 ILE HG1x 1.0 . 5.50 596 497 A 40 ILE HG1y A 22 LEU HDx% 1.0 . 5.50 597 498 A 27 HIS H A 27 HIS HBx 1.0 . 2.86 598 499 A 28 CYS H A 27 HIS HBx 1.0 . 4.55 599 500 A 41 ALA HB% A 48 GLU HBy 1.0 . 4.42 600 501 A 41 ALA HB% A 48 GLU HBx 1.0 . 4.46 601 502 A 63 LYS HA A 63 LYS HDx 1.0 . 4.21 602 502 A 63 LYS HA A 63 LYS HDy 1.0 . 4.21 603 503 A 53 ILE HG1x A 53 ILE H 1.0 . 3.79 604 504 A 53 ILE HA A 53 ILE HG1x 1.0 . 3.97 605 505 A 47 SER HBy A 51 VAL HGy% 1.0 . 5.03 606 506 A 24 LYS H A 23 GLU HBy 1.0 . 4.50 607 507 A 24 LYS HA A 23 GLU HBy 1.0 . 4.27 608 508 A 17 GLU H A 17 GLU HBy 1.0 . 3.38 609 509 A 18 GLN H A 17 GLU HBy 1.0 . 3.75 610 510 A 17 GLU H A 17 GLU HBx 1.0 . 3.41 611 511 A 18 GLN H A 17 GLU HBx 1.0 . 4.24 612 512 A 45 LYS HA A 45 LYS HDx 1.0 . 4.34 613 512 A 45 LYS HA A 45 LYS HDy 1.0 . 4.34 614 513 A 47 SER HBy A 47 SER H 1.0 . 3.95 615 514 A 45 LYS HBy A 45 LYS HDx 1.0 . 3.74 616 514 A 45 LYS HBy A 45 LYS HDy 1.0 . 3.74 617 515 A 40 ILE HA A 42 HIS H 1.0 . 4.26 618 516 A 40 ILE HA A 44 LEU HDx% 1.0 . 4.20 619 517 A 63 LYS HA A 66 LYS HDy 1.0 . 4.46 620 517 A 63 LYS HA A 66 LYS HDx 1.0 . 4.46 621 518 A 66 LYS HBx A 66 LYS HDy 1.0 . 3.46 622 518 A 66 LYS HBx A 66 LYS HDx 1.0 . 3.46 623 519 A 40 ILE HA A 40 ILE HD1% 1.0 . 4.22 624 520 A 18 GLN HE2y A 45 LYS HBx 1.0 . 5.40 625 521 A 45 LYS HBy A 18 GLN HE2y 1.0 . 5.23 626 522 A 53 ILE HA A 56 GLN H 1.0 . 4.63 627 523 A 54 TRP HBx A 54 TRP H 1.0 . 4.14 628 524 A 40 ILE H A 39 GLN HBy 1.0 . 3.63 629 525 A 39 GLN HBy A 36 GLU HA 1.0 . 3.62 630 526 A 40 ILE H A 39 GLN HBx 1.0 . 3.86 631 527 A 54 TRP HBx A 55 PHE H 1.0 . 4.31 632 528 A 39 GLN HBy A 40 ILE HG1x 1.0 . 5.41 633 528 A 40 ILE HG1y A 39 GLN HBy 1.0 . 5.41 634 529 A 53 ILE HA A 53 ILE HD1% 1.0 . 3.83 635 530 A 65 ILE HG2% A 65 ILE HG1x 1.0 . 3.22 636 531 A 65 ILE H A 65 ILE HG1x 1.0 . 3.66 637 532 A 53 ILE HA A 56 GLN HBy 1.0 . 4.34 638 533 A 64 ARG HA A 64 ARG HGy 1.0 . 4.08 639 534 A 64 ARG H A 64 ARG HGy 1.0 . 3.94 640 535 A 30 LYS H A 30 LYS HDx 1.0 . 4.62 641 535 A 30 LYS H A 30 LYS HDy 1.0 . 4.62 642 536 A 26 PHE HD% A 30 LYS HDx 1.0 . 4.92 643 536 A 26 PHE HD% A 30 LYS HDy 1.0 . 4.92 644 537 A 53 ILE HA A 56 GLN HE2y 1.0 . 4.40 645 538 A 57 ASN H A 56 GLN HBy 1.0 . 4.51 646 539 A 53 ILE HG2% A 56 GLN HBy 1.0 . 5.50 647 540 A 57 ASN H A 56 GLN HBx 1.0 . 4.26 648 541 A 56 GLN HBx A 56 GLN HE2y 1.0 . 4.31 649 542 A 53 ILE HA A 56 GLN HBx 1.0 . 4.25 650 543 A 64 ARG H A 64 ARG HGx 1.0 . 3.90 651 544 A 26 PHE HZ A 30 LYS HDx 1.0 . 5.40 652 544 A 30 LYS HDy A 26 PHE HZ 1.0 . 5.40 653 545 A 55 PHE HA A 58 ARG HBx 1.0 . 4.32 654 546 A 55 PHE HA A 58 ARG HBy 1.0 . 4.43 655 547 A 55 PHE HA A 54 TRP HE3 1.0 . 3.73 656 548 A 30 LYS HDx A 31 TYR HBx 1.0 . 4.33 657 548 A 30 LYS HDy A 31 TYR HBx 1.0 . 4.33 658 548 A 31 TYR HBy A 30 LYS HDx 1.0 . 4.33 659 548 A 30 LYS HDy A 31 TYR HBy 1.0 . 4.33 660 549 A 26 PHE HE% A 30 LYS HDx 1.0 . 5.50 661 549 A 30 LYS HDy A 26 PHE HE% 1.0 . 5.50 662 550 A 9 ARG H A 9 ARG HGy 1.0 . 4.67 663 551 A 9 ARG HA A 9 ARG HGy 1.0 . 4.12 664 552 A 10 ARG H A 9 ARG HGx 1.0 . 5.50 665 553 A 9 ARG HA A 9 ARG HGx 1.0 . 4.17 666 554 A 9 ARG H A 9 ARG HGx 1.0 . 4.77 667 555 A 8 ARG HA A 8 ARG HGx 1.0 . 3.64 668 555 A 8 ARG HGy A 8 ARG HA 1.0 . 3.64 669 556 A 46 LEU HDx% A 14 PHE HE% 1.0 . 4.52 670 557 A 46 LEU HDx% A 41 ALA HA 1.0 . 4.89 671 558 A 46 LEU H A 46 LEU HDx% 1.0 . 4.37 672 559 A 46 LEU HDx% A 46 LEU HA 1.0 . 4.93 673 560 A 46 LEU HBy A 46 LEU HDx% 1.0 . 3.50 674 561 A 46 LEU HBx A 46 LEU HDx% 1.0 . 3.37 675 562 A 22 LEU HDx% A 46 LEU HDx% 1.0 . 4.04 676 563 A 34 LEU HA A 34 LEU HG 1.0 . 3.90 677 564 A 34 LEU H A 34 LEU HG 1.0 . 5.05 678 565 A 10 ARG HA A 10 ARG HGy 1.0 . 3.89 679 566 A 10 ARG H A 10 ARG HGx 1.0 . 4.46 680 567 A 20 LEU H A 20 LEU HG 1.0 . 3.75 681 568 A 20 LEU HA A 20 LEU HG 1.0 . 3.86 682 569 A 10 ARG HA A 10 ARG HGx 1.0 . 3.86 683 570 A 16 SER HA A 19 LEU HBy 1.0 . 3.24 684 571 A 65 ILE HG1y A 65 ILE HA 1.0 . 3.84 685 572 A 65 ILE HG1x A 65 ILE HA 1.0 . 3.49 686 573 A 33 SER H A 32 LEU HDy% 1.0 . 5.45 687 574 A 55 PHE HD% A 32 LEU HDy% 1.0 . 4.97 688 575 A 55 PHE HE% A 32 LEU HDy% 1.0 . 4.27 689 576 A 37 ARG HA A 32 LEU HG 1.0 . 5.02 690 577 A 32 LEU H A 32 LEU HDy% 1.0 . 4.94 691 578 A 32 LEU HDy% A 32 LEU HA 1.0 . 4.15 692 579 A 37 ARG HA A 32 LEU HDy% 1.0 . 3.42 693 580 A 32 LEU HDy% A 36 GLU HBy 1.0 . 5.50 694 581 A 32 LEU HDy% A 32 LEU HBx 1.0 . 3.10 695 581 A 32 LEU HBy A 32 LEU HDy% 1.0 . 3.10 696 582 A 17 GLU H A 16 SER HBx 1.0 . 5.21 697 583 A 70 VAL HGy% A 70 VAL HA 1.0 . 4.20 698 584 A 18 GLN HBy A 44 LEU HDx% 1.0 . 4.58 699 585 A 44 LEU HDx% A 44 LEU H 1.0 . 4.18 700 586 A 44 LEU HA A 44 LEU HDx% 1.0 . 4.43 701 587 A 21 GLU HGy A 44 LEU HDx% 1.0 . 4.20 702 588 A 44 LEU HDx% A 44 LEU HBx 1.0 . 3.18 703 588 A 44 LEU HDx% A 44 LEU HBy 1.0 . 3.18 704 589 A 44 LEU HDx% A 40 ILE HG1x 1.0 . 3.39 705 589 A 40 ILE HG1y A 44 LEU HDx% 1.0 . 3.39 706 590 A 22 LEU HDy% A 44 LEU HDx% 1.0 . 4.12 707 591 A 22 LEU H A 44 LEU HDx% 1.0 . 4.58 708 592 A 44 LEU HDx% A 18 GLN HA 1.0 . 3.81 709 593 A 32 LEU H A 32 LEU HG 1.0 . 4.76 710 594 A 19 LEU HDx% A 16 SER HBy 1.0 . 3.98 711 595 A 16 SER HBx A 17 GLU HBx 1.0 . 5.12 712 596 A 63 LYS H A 63 LYS HGy 1.0 . 4.11 713 597 A 19 LEU HDx% A 15 THR H 1.0 . 5.11 714 598 A 19 LEU HDx% A 16 SER HBx 1.0 . 5.34 715 599 A 19 LEU HDx% A 14 PHE HDx 1.0 . 5.15 716 600 A 41 ALA HB% A 48 GLU HA 1.0 . 3.49 717 601 A 51 VAL HGy% A 48 GLU HA 1.0 . 3.86 718 602 A 51 VAL H A 48 GLU HA 1.0 . 4.79 719 603 A 19 LEU HDx% A 19 LEU HBy 1.0 . 3.08 720 604 A 19 LEU HDx% A 19 LEU HBx 1.0 . 2.99 721 605 A 19 LEU HDx% A 19 LEU H 1.0 . 3.98 722 606 A 19 LEU HDx% A 14 PHE HBy 1.0 . 4.22 723 607 A 61 LYS HGy A 61 LYS HEx 1.0 . 4.23 724 607 A 61 LYS HGy A 61 LYS HEy 1.0 . 4.23 725 608 A 14 PHE H A 19 LEU HDx% 1.0 . 5.04 726 609 A 45 LYS HA A 45 LYS HGx 1.0 . 3.10 727 609 A 45 LYS HA A 45 LYS HGy 1.0 . 3.10 728 610 A 45 LYS HBy A 45 LYS HGx 1.0 . 2.91 729 610 A 45 LYS HBy A 45 LYS HGy 1.0 . 2.91 730 611 A 46 LEU H A 45 LYS HGx 1.0 . 5.04 731 611 A 46 LEU H A 45 LYS HGy 1.0 . 5.04 732 612 A 34 LEU HDy% A 34 LEU HA 1.0 . 3.41 733 613 A 16 SER H A 15 THR HA 1.0 . 3.08 734 614 A 44 LEU HA A 45 LYS HGx 1.0 . 4.74 735 614 A 44 LEU HA A 45 LYS HGy 1.0 . 4.74 736 615 A 37 ARG HA A 40 ILE HD1% 1.0 . 4.49 737 616 A 29 LYS HGy A 32 LEU HDx% 1.0 . 5.50 738 617 A 66 LYS H A 66 LYS HGx 1.0 . 4.70 739 617 A 66 LYS H A 66 LYS HGy 1.0 . 4.70 740 618 A 52 LYS HA A 51 VAL HGx% 1.0 . 5.12 741 619 A 17 GLU HA A 20 LEU HDx% 1.0 . 3.84 742 619 A 20 LEU HDy% A 17 GLU HA 1.0 . 3.84 743 620 A 37 ARG HA A 40 ILE H 1.0 . 4.53 744 621 A 37 ARG HA A 51 VAL HGx% 1.0 . 3.83 745 622 A 29 LYS HGy A 28 CYS HBx 1.0 . 4.88 746 622 A 29 LYS HGy A 28 CYS HBy 1.0 . 4.88 747 623 A 66 LYS HDx A 66 LYS HGx 1.0 . 2.66 748 623 A 66 LYS HGy A 66 LYS HDy 1.0 . 2.66 749 623 A 66 LYS HDx A 66 LYS HGy 1.0 . 2.66 750 623 A 66 LYS HDy A 66 LYS HGx 1.0 . 2.66 751 624 A 20 LEU HA A 20 LEU HDx% 1.0 . 3.05 752 624 A 20 LEU HDy% A 20 LEU HA 1.0 . 3.05 753 625 A 53 ILE HB A 50 GLN HA 1.0 . 4.33 754 626 A 50 GLN HA A 50 GLN HGx 1.0 . 3.78 755 627 A 52 LYS HA A 52 LYS HGx 1.0 . 3.70 756 627 A 52 LYS HA A 52 LYS HGy 1.0 . 3.70 757 628 A 24 LYS HA A 24 LYS HGx 1.0 . 2.75 758 628 A 24 LYS HGy A 24 LYS HA 1.0 . 2.75 759 629 A 20 LEU H A 17 GLU HA 1.0 . 4.29 760 630 A 53 ILE HG2% A 56 GLN HA 1.0 . 5.03 761 631 A 62 TRP HA A 66 LYS HBy 1.0 . 4.52 762 632 A 65 ILE HB A 62 TRP HA 1.0 . 4.32 763 633 A 65 ILE HG2% A 62 TRP HA 1.0 . 5.16 764 634 A 24 LYS HA A 27 HIS HBx 1.0 . 3.90 765 635 A 56 GLN HE2x A 56 GLN HA 1.0 . 4.64 766 636 A 61 LYS HA A 64 ARG HGx 1.0 . 4.46 767 637 A 61 LYS HGy A 61 LYS HA 1.0 . 3.43 768 638 A 51 VAL HGy% A 51 VAL H 1.0 . 3.18 769 639 A 22 LEU HDx% A 51 VAL HGy% 1.0 . 3.95 770 640 A 22 LEU HDy% A 51 VAL HGy% 1.0 . 4.78 771 641 A 19 LEU HDy% A 15 THR HA 1.0 . 5.50 772 642 A 46 LEU HDy% A 44 LEU H 1.0 . 5.04 773 643 A 46 LEU HDy% A 46 LEU HBy 1.0 . 3.10 774 644 A 46 LEU H A 46 LEU HDy% 1.0 . 4.15 775 645 A 51 VAL HGy% A 50 GLN HBy 1.0 . 4.21 776 646 A 34 LEU HDx% A 34 LEU HA 1.0 . 3.09 777 647 A 54 TRP HE1 A 19 LEU HDy% 1.0 . 3.27 778 648 A 19 LEU HDy% A 19 LEU H 1.0 . 3.93 779 649 A 19 LEU HDy% A 54 TRP HZ2 1.0 . 4.58 780 650 A 19 LEU HA A 19 LEU HDy% 1.0 . 3.03 781 651 A 19 LEU HDy% A 14 PHE HBy 1.0 . 3.80 782 652 A 14 PHE HBx A 19 LEU HDy% 1.0 . 3.53 783 653 A 19 LEU HDy% A 19 LEU HBx 1.0 . 3.20 784 654 A 22 LEU HDy% A 19 LEU HDy% 1.0 . 3.59 785 655 A 19 LEU HDy% A 19 LEU HBy 1.0 . 3.34 786 656 A 58 ARG H A 58 ARG HGx 1.0 . 5.40 787 657 A 39 GLN HGx A 39 GLN HA 1.0 . 3.52 788 658 A 39 GLN HA A 39 GLN HBx 1.0 . 3.01 789 659 A 51 VAL HGy% A 47 SER H 1.0 . 3.70 790 660 A 46 LEU HDy% A 18 GLN HE2x 1.0 . 3.64 791 661 A 29 LYS HGy A 25 GLU HA 1.0 . 4.33 792 662 A 23 GLU HA A 54 TRP HH2 1.0 . 3.74 793 663 A 36 GLU H A 34 LEU HA 1.0 . 4.43 794 664 A 44 LEU HG A 18 GLN HA 1.0 . 4.75 795 665 A 25 GLU HA A 25 GLU HBx 1.0 . 2.98 796 665 A 25 GLU HBy A 25 GLU HA 1.0 . 2.98 797 666 A 27 HIS HBx A 27 HIS HA 1.0 . 3.02 798 667 A 36 GLU HA A 36 GLU HGx 1.0 . 2.94 799 667 A 36 GLU HGy A 36 GLU HA 1.0 . 2.94 800 668 A 63 LYS HA A 63 LYS HBx 1.0 . 2.99 801 669 A 63 LYS HA A 63 LYS HGy 1.0 . 3.59 802 670 A 63 LYS HA A 63 LYS HGx 1.0 . 3.71 803 671 A 22 LEU HDy% A 19 LEU HBx 1.0 . 5.50 804 672 A 22 LEU HDy% A 22 LEU H 1.0 . 4.31 805 673 A 22 LEU HDy% A 19 LEU HA 1.0 . 3.44 806 674 A 22 LEU HDy% A 46 LEU HDx% 1.0 . 3.19 807 675 A 22 LEU HDy% A 22 LEU HBx 1.0 . 3.26 808 676 A 22 LEU HDy% A 46 LEU HG 1.0 . 4.63 809 677 A 49 VAL HGy% A 52 LYS HEx 1.0 . 4.25 810 677 A 52 LYS HEy A 49 VAL HGy% 1.0 . 4.25 811 678 A 50 GLN H A 49 VAL HGy% 1.0 . 4.34 812 679 A 49 VAL H A 49 VAL HGy% 1.0 . 3.26 813 680 A 49 VAL HA A 49 VAL HGy% 1.0 . 3.12 814 681 A 22 LEU HDy% A 51 VAL HA 1.0 . 5.37 815 682 A 64 ARG HA A 64 ARG HGx 1.0 . 3.35 816 683 A 67 ALA HB% A 64 ARG HA 1.0 . 3.75 817 684 A 64 ARG HBy A 64 ARG HA 1.0 . 2.88 818 685 A 21 GLU HGy A 21 GLU HA 1.0 . 3.78 819 686 A 21 GLU HBx A 21 GLU HA 1.0 . 2.80 820 687 A 22 LEU HA A 25 GLU HBx 1.0 . 3.56 821 687 A 25 GLU HBy A 22 LEU HA 1.0 . 3.56 822 688 A 22 LEU HA A 40 ILE HG1x 1.0 . 3.95 823 688 A 40 ILE HG1y A 22 LEU HA 1.0 . 3.95 824 689 A 22 LEU HA A 40 ILE HD1% 1.0 . 4.76 825 690 A 22 LEU HDy% A 22 LEU HA 1.0 . 4.34 826 691 A 21 GLU H A 44 LEU HDy% 1.0 . 4.75 827 692 A 44 LEU HA A 44 LEU HDy% 1.0 . 2.82 828 693 A 44 LEU HDy% A 18 GLN HA 1.0 . 3.36 829 694 A 21 GLU HGy A 44 LEU HDy% 1.0 . 3.43 830 695 A 21 GLU HGx A 44 LEU HDy% 1.0 . 3.40 831 696 A 44 LEU HDy% A 44 LEU HBx 1.0 . 2.97 832 696 A 44 LEU HDy% A 44 LEU HBy 1.0 . 2.97 833 697 A 46 LEU HDy% A 44 LEU HDy% 1.0 . 3.97 834 698 A 37 ARG HA A 32 LEU HDx% 1.0 . 4.80 835 699 A 32 LEU H A 32 LEU HDx% 1.0 . 4.44 836 700 A 33 SER H A 32 LEU HDx% 1.0 . 3.92 837 701 A 32 LEU HDx% A 32 LEU HA 1.0 . 2.98 838 702 A 32 LEU HDx% A 29 LYS HEx 1.0 . 4.49 839 702 A 29 LYS HEy A 32 LEU HDx% 1.0 . 4.49 840 703 A 36 GLU HBx A 32 LEU HDx% 1.0 . 3.39 841 704 A 32 LEU HDx% A 29 LYS HDx 1.0 . 3.23 842 704 A 29 LYS HDy A 32 LEU HDx% 1.0 . 3.23 843 705 A 32 LEU HDx% A 32 LEU HBx 1.0 . 3.07 844 705 A 32 LEU HBy A 32 LEU HDx% 1.0 . 3.07 845 706 A 32 LEU HDx% A 40 ILE HD1% 1.0 . 3.56 846 707 A 32 LEU HDx% A 36 GLU HA 1.0 . 5.42 847 708 A 24 LYS H A 21 GLU HA 1.0 . 4.10 848 709 A 24 LYS H A 22 LEU HA 1.0 . 4.99 849 710 A 52 LYS H A 51 VAL HGx% 1.0 . 4.57 850 711 A 55 PHE HE% A 51 VAL HGx% 1.0 . 3.64 851 712 A 24 LYS H A 20 LEU HA 1.0 . 5.12 852 713 A 23 GLU HBx A 20 LEU HA 1.0 . 3.99 853 714 A 22 LEU HDy% A 51 VAL HGx% 1.0 . 5.50 854 715 A 51 VAL HGx% A 51 VAL HA 1.0 . 3.15 855 716 A 51 VAL HGx% A 37 ARG HGx 1.0 . 3.33 856 716 A 51 VAL HGx% A 37 ARG HGy 1.0 . 3.33 857 717 A 22 LEU HDx% A 22 LEU HA 1.0 . 3.03 858 718 A 22 LEU HDx% A 51 VAL HGx% 1.0 . 3.03 859 719 A 22 LEU HDx% A 40 ILE HG2% 1.0 . 3.42 860 720 A 22 LEU HDx% A 40 ILE HD1% 1.0 . 3.24 861 721 A 22 LEU HDx% A 22 LEU HBx 1.0 . 3.43 862 722 A 59 ARG H A 57 ASN HA 1.0 . 3.70 863 723 A 19 LEU HDx% A 19 LEU HA 1.0 . 4.69 864 724 A 19 LEU HA A 22 LEU HBy 1.0 . 3.58 865 725 A 15 THR HG2% A 15 THR H 1.0 . 3.02 866 726 A 15 THR HG2% A 18 GLN H 1.0 . 4.55 867 727 A 15 THR HG2% A 14 PHE HA 1.0 . 3.01 868 728 A 15 THR HG2% A 15 THR HA 1.0 . 3.04 869 729 A 18 GLN HBy A 15 THR HG2% 1.0 . 4.69 870 730 A 36 GLU H A 35 THR HG2% 1.0 . 4.28 871 731 A 39 GLN HGx A 35 THR HG2% 1.0 . 4.78 872 732 A 35 THR H A 35 THR HG2% 1.0 . 4.83 873 733 A 39 GLN HGy A 35 THR HG2% 1.0 . 4.18 874 734 A 35 THR HG2% A 36 GLU HGx 1.0 . 4.01 875 734 A 36 GLU HGy A 35 THR HG2% 1.0 . 4.01 876 735 A 19 LEU HA A 22 LEU HBx 1.0 . 4.11 877 736 A 38 SER H A 35 THR HG2% 1.0 . 5.50 878 737 A 31 TYR HD% A 33 SER HA 1.0 . 5.37 879 738 A 70 VAL HGx% A 71 SER HBx 1.0 . 4.35 880 738 A 70 VAL HGx% A 71 SER HBy 1.0 . 4.35 881 739 A 45 LYS HA A 18 GLN HE2y 1.0 . 5.05 882 740 A 66 LYS HBy A 66 LYS HA 1.0 . 2.85 883 741 A 66 LYS HA A 66 LYS HGx 1.0 . 3.38 884 741 A 66 LYS HGy A 66 LYS HA 1.0 . 3.38 885 742 A 65 ILE HG2% A 66 LYS HA 1.0 . 4.55 886 743 A 66 LYS HA A 66 LYS HDy 1.0 . 3.63 887 743 A 66 LYS HDx A 66 LYS HA 1.0 . 3.63 888 744 A 49 VAL HGx% A 52 LYS HEx 1.0 . 5.32 889 744 A 52 LYS HEy A 49 VAL HGx% 1.0 . 5.32 890 745 A 50 GLN H A 49 VAL HGx% 1.0 . 3.74 891 746 A 49 VAL HGx% A 52 LYS HDx 1.0 . 4.12 892 746 A 52 LYS HDy A 49 VAL HGx% 1.0 . 4.12 893 747 A 50 GLN HA A 49 VAL HGx% 1.0 . 4.25 894 748 A 49 VAL HA A 49 VAL HGx% 1.0 . 3.22 895 749 A 50 GLN HGx A 49 VAL HGx% 1.0 . 4.44 896 750 A 12 THR H A 10 ARG HA 1.0 . 3.66 897 751 A 29 LYS HA A 30 LYS HA 1.0 . 4.34 898 752 A 30 LYS H A 29 LYS HA 1.0 . 2.77 899 753 A 29 LYS H A 30 LYS HA 1.0 . 4.87 900 754 A 30 LYS HA A 30 LYS HGx 1.0 . 4.19 901 754 A 30 LYS HGy A 30 LYS HA 1.0 . 4.19 902 755 A 30 LYS HA A 30 LYS HDx 1.0 . 3.58 903 755 A 30 LYS HDy A 30 LYS HA 1.0 . 3.58 904 756 A 46 LEU H A 41 ALA HA 1.0 . 3.95 905 757 A 69 ASN HBy A 70 VAL HGy% 1.0 . 4.45 906 758 A 12 THR HG2% A 50 GLN HGy 1.0 . 4.53 907 759 A 13 ALA H A 12 THR HG2% 1.0 . 3.31 908 760 A 12 THR HG2% A 50 GLN HE2y 1.0 . 3.55 909 761 A 12 THR HG2% A 14 PHE HE% 1.0 . 4.77 910 762 A 12 THR HG2% A 50 GLN HE2x 1.0 . 3.96 911 763 A 12 THR HA A 12 THR HG2% 1.0 . 3.21 912 764 A 9 ARG H A 8 ARG HA 1.0 . 2.91 913 765 A 14 PHE H A 12 THR HG2% 1.0 . 4.13 914 766 A 14 PHE HDy A 12 THR HG2% 1.0 . 5.03 915 767 A 60 ALA HA A 59 ARG HBx 1.0 . 4.88 916 768 A 64 ARG H A 60 ALA HA 1.0 . 4.08 917 769 A 11 ARG H A 11 ARG HA 1.0 . 2.92 918 770 A 11 ARG HA A 11 ARG HGx 1.0 . 3.15 919 770 A 11 ARG HA A 11 ARG HGy 1.0 . 3.15 920 771 A 63 LYS H A 60 ALA HA 1.0 . 4.24 921 772 A 67 ALA H A 67 ALA HB% 1.0 . 3.22 922 773 A 13 ALA H A 13 ALA HB% 1.0 . 3.00 923 774 A 12 THR HA A 13 ALA HB% 1.0 . 3.97 924 775 A 12 THR HG2% A 13 ALA HB% 1.0 . 4.37 925 776 A 53 ILE HG2% A 50 GLN HE2y 1.0 . 5.50 926 777 A 57 ASN HD2y A 53 ILE HG2% 1.0 . 3.99 927 778 A 53 ILE HG2% A 53 ILE H 1.0 . 4.00 928 779 A 57 ASN HD2x A 53 ILE HG2% 1.0 . 3.80 929 780 A 53 ILE HA A 53 ILE HG2% 1.0 . 3.37 930 781 A 53 ILE HG2% A 53 ILE HG1x 1.0 . 3.74 931 782 A 44 LEU HA A 44 LEU HG 1.0 . 4.07 932 783 A 43 ALA H A 43 ALA HB% 1.0 . 2.82 933 784 A 40 ILE HA A 43 ALA HB% 1.0 . 3.22 934 785 A 44 LEU H A 43 ALA HB% 1.0 . 3.26 935 786 A 43 ALA HB% A 44 LEU HG 1.0 . 3.74 936 787 A 44 LEU HA A 45 LYS HBy 1.0 . 5.04 937 788 A 41 ALA H A 40 ILE HG2% 1.0 . 3.66 938 789 A 61 LYS H A 60 ALA HB% 1.0 . 3.44 939 790 A 60 ALA H A 60 ALA HB% 1.0 . 3.07 940 791 A 40 ILE HA A 40 ILE HG2% 1.0 . 3.16 941 792 A 41 ALA HB% A 40 ILE HG2% 1.0 . 5.11 942 793 A 40 ILE HG2% A 44 LEU HDx% 1.0 . 2.85 943 794 A 41 ALA HB% A 41 ALA H 1.0 . 2.85 944 795 A 41 ALA HB% A 48 GLU HGx 1.0 . 3.50 945 796 A 41 ALA HB% A 51 VAL HGy% 1.0 . 3.12 946 797 A 41 ALA HB% A 46 LEU H 1.0 . 5.01 947 798 A 66 LYS H A 65 ILE HG2% 1.0 . 3.90 948 799 A 65 ILE HG2% A 65 ILE HA 1.0 . 3.05 949 800 A 65 ILE HG1y A 65 ILE HG2% 1.0 . 3.32 950 801 A 67 ALA HA A 68 GLY HAx 1.0 . 3.99 951 801 A 67 ALA HA A 68 GLY HAy 1.0 . 3.99 952 802 A 32 LEU H A 32 LEU HA 1.0 . 2.90 953 803 A 36 GLU HBx A 32 LEU HA 1.0 . 3.49 954 804 A 33 SER H A 32 LEU HA 1.0 . 2.76 955 805 A 32 LEU HA A 29 LYS HDx 1.0 . 3.64 956 805 A 29 LYS HDy A 32 LEU HA 1.0 . 3.64 957 806 A 47 SER H A 46 LEU HA 1.0 . 3.12 958 807 A 46 LEU HDy% A 46 LEU HA 1.0 . 3.20 959 808 A 40 ILE H A 40 ILE HD1% 1.0 . 4.18 960 809 A 40 ILE HB A 40 ILE HD1% 1.0 . 2.79 961 810 A 40 ILE HD1% A 25 GLU HBx 1.0 . 3.28 962 810 A 25 GLU HBy A 40 ILE HD1% 1.0 . 3.28 963 811 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 3.14 964 812 A 32 LEU HDy% A 40 ILE HD1% 1.0 . 3.47 965 813 A 62 TRP HA A 65 ILE HD1% 1.0 . 4.74 966 814 A 65 ILE H A 65 ILE HD1% 1.0 . 4.07 967 815 A 65 ILE HA A 65 ILE HD1% 1.0 . 3.76 968 816 A 65 ILE HB A 65 ILE HD1% 1.0 . 3.22 969 817 A 54 TRP H A 53 ILE HD1% 1.0 . 4.80 970 818 A 53 ILE HD1% A 49 VAL HA 1.0 . 4.25 971 819 A 53 ILE HD1% A 53 ILE H 1.0 . 4.27 972 820 A 53 ILE HD1% A 51 VAL H 1.0 . 4.76 973 821 A 50 GLN HA A 53 ILE HD1% 1.0 . 5.10 974 822 A 53 ILE HD1% A 52 LYS HEx 1.0 . 4.08 975 822 A 53 ILE HD1% A 52 LYS HEy 1.0 . 4.08 976 823 A 53 ILE HB A 53 ILE HD1% 1.0 . 3.60 977 824 A 53 ILE HG2% A 53 ILE HD1% 1.0 . 2.85 978 825 A 46 LEU HBy A 41 ALA HA 1.0 . 4.34 979 826 A 46 LEU HBx A 46 LEU HDy% 1.0 . 3.88 980 827 A 46 LEU HBx A 41 ALA HA 1.0 . 4.04 981 828 A 31 TYR HD% A 30 LYS H 1.0 . 4.99 982 829 A 33 SER H A 31 TYR HD% 1.0 . 4.76 983 830 A 31 TYR HD% A 30 LYS HBy 1.0 . 4.30 984 831 A 31 TYR HD% A 30 LYS HBx 1.0 . 4.47 985 832 A 31 TYR HD% A 30 LYS HGx 1.0 . 4.90 986 832 A 31 TYR HD% A 30 LYS HGy 1.0 . 4.90 987 833 A 55 PHE HE% A 52 LYS HGx 1.0 . 4.93 988 833 A 55 PHE HE% A 52 LYS HGy 1.0 . 4.93 989 834 A 55 PHE HD% A 55 PHE HA 1.0 . 4.03 990 835 A 55 PHE HD% A 51 VAL HGx% 1.0 . 3.89 991 836 A 14 PHE HDx A 50 GLN HE2y 1.0 . 4.99 992 837 A 14 PHE HDx A 46 LEU HG 1.0 . 5.31 993 838 A 55 PHE HD% A 54 TRP HE3 1.0 . 3.72 994 839 A 55 PHE HD% A 56 GLN H 1.0 . 5.02 995 840 A 14 PHE HDy A 15 THR HG2% 1.0 . 4.77 996 841 A 14 PHE HDy A 14 PHE HE% 1.0 . 3.87 997 842 A 14 PHE HDy A 14 PHE HA 1.0 . 4.30 998 843 A 14 PHE HDy A 46 LEU HDy% 1.0 . 4.25 999 844 A 14 PHE HDy A 46 LEU HDx% 1.0 . 3.67 1000 845 A 14 PHE HDy A 46 LEU HG 1.0 . 4.89 1001 846 A 14 PHE HDx A 14 PHE HE% 1.0 . 4.03 1002 847 A 19 LEU HDy% A 14 PHE HDx 1.0 . 3.65 1003 848 A 22 LEU HDy% A 14 PHE HDx 1.0 . 4.75 1004 849 A 12 THR HG2% A 14 PHE HDx 1.0 . 4.69 1005 850 A 14 PHE HDy A 14 PHE H 1.0 . 4.37 1006 851 A 58 ARG HBy A 26 PHE HE% 1.0 . 4.57 1007 852 A 58 ARG HBx A 26 PHE HE% 1.0 . 5.00 1008 853 A 26 PHE HE% A 32 LEU HBx 1.0 . 4.51 1009 853 A 32 LEU HBy A 26 PHE HE% 1.0 . 4.51 1010 854 A 51 VAL HGy% A 14 PHE HE% 1.0 . 4.63 1011 855 A 22 LEU HDy% A 14 PHE HE% 1.0 . 4.57 1012 856 A 50 GLN HGx A 14 PHE HE% 1.0 . 4.98 1013 857 A 19 LEU HDy% A 54 TRP HD1 1.0 . 4.44 1014 858 A 22 LEU HDy% A 54 TRP HD1 1.0 . 4.61 1015 859 A 54 TRP HA A 54 TRP HD1 1.0 . 3.78 1016 860 A 61 LYS HDx A 62 TRP HD1 1.0 . 4.36 1017 861 A 62 TRP HA A 62 TRP HD1 1.0 . 3.89 1018 862 A 23 GLU H A 54 TRP HH2 1.0 . 5.02 1019 863 A 23 GLU HGx A 54 TRP HH2 1.0 . 4.81 1020 864 A 23 GLU HGy A 54 TRP HH2 1.0 . 4.76 1021 865 A 62 TRP HZ3 A 63 LYS HDx 1.0 . 4.69 1022 865 A 63 LYS HDy A 62 TRP HZ3 1.0 . 4.69 1023 866 A 62 TRP HBy A 62 TRP HE3 1.0 . 4.18 1024 867 A 61 LYS HBy A 62 TRP HE3 1.0 . 4.78 1025 868 A 62 TRP H A 62 TRP HE3 1.0 . 4.74 1026 869 A 63 LYS H A 62 TRP HE3 1.0 . 4.87 1027 870 A 27 HIS HD2 A 27 HIS HBx 1.0 . 3.62 1028 871 A 30 LYS H A 31 TYR HE% 1.0 . 4.79 1029 872 A 61 LYS HDx A 62 TRP HZ2 1.0 . 4.73 1030 873 A 23 GLU HGx A 54 TRP HZ2 1.0 . 4.68 1031 874 A 54 TRP HZ2 A 23 GLU HGy 1.0 . 4.69 stop_ save_