data_nef_c18813_2m0o save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 5 VAL C 2 6 M3L N 2 6 M3L C 2 7 LYS N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 5 SER start . . 2 A 6 ARG middle . . 3 A 7 LEU middle . . 4 A 8 SER middle . . 5 A 9 ARG middle . . 6 A 10 SER middle . . 7 A 11 GLY middle . false 8 A 12 ALA middle . . 9 A 13 SER middle . . 10 A 14 SER middle . . 11 A 15 LEU middle . . 12 A 16 TRP middle . . 13 A 17 ASP middle . . 14 A 18 PRO middle . false 15 A 19 ALA middle . . 16 A 20 SER middle . . 17 A 21 PRO middle . false 18 A 22 ALA middle . . 19 A 23 PRO middle . false 20 A 24 THR middle . . 21 A 25 SER middle . . 22 A 26 GLY middle . false 23 A 27 PRO middle . false 24 A 28 ARG middle . . 25 A 29 PRO middle . false 26 A 30 ARG middle . . 27 A 31 LEU middle . . 28 A 32 TRP middle . . 29 A 33 GLU middle . . 30 A 34 GLY middle . false 31 A 35 GLN middle . . 32 A 36 ASP middle . . 33 A 37 VAL middle . . 34 A 38 LEU middle . . 35 A 39 ALA middle . . 36 A 40 ARG middle . . 37 A 41 TRP middle . . 38 A 42 THR middle . . 39 A 43 ASP middle . . 40 A 44 GLY middle . false 41 A 45 LEU middle . . 42 A 46 LEU middle . . 43 A 47 TYR middle . . 44 A 48 LEU middle . . 45 A 49 GLY middle . false 46 A 50 THR middle . . 47 A 51 ILE middle . . 48 A 52 LYS middle . . 49 A 53 LYS middle . . 50 A 54 VAL middle . . 51 A 55 ASP middle . . 52 A 56 SER middle . . 53 A 57 ALA middle . . 54 A 58 ARG middle . . 55 A 59 GLU middle . . 56 A 60 VAL middle . . 57 A 61 CYS middle . . 58 A 62 LEU middle . . 59 A 63 VAL middle . . 60 A 64 GLN middle . . 61 A 65 PHE middle . . 62 A 66 GLU middle . . 63 A 67 ASP middle . . 64 A 68 ASP middle . . 65 A 69 SER middle . . 66 A 70 GLN middle . . 67 A 71 PHE middle . . 68 A 72 LEU middle . . 69 A 73 VAL middle . . 70 A 74 LEU middle . . 71 A 75 TRP middle . . 72 A 76 LYS middle . . 73 A 77 ASP middle . . 74 A 78 ILE middle . . 75 A 79 SER middle . . 76 A 80 PRO middle . false 77 A 81 ALA middle . . 78 A 82 ALA middle . . 79 A 83 LEU end . . 80 B 331 ALA start . . 81 B 332 THR middle . . 82 B 333 GLY middle . false 83 B 334 GLY middle . false 84 B 335 VAL middle . . 85 B 336 M3L middle . . 86 B 337 LYS middle . . 87 B 338 PRO middle . false 88 B 339 HIS middle . . 89 B 340 ARG middle . . 90 B 341 TYR 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 10 SER HA H 1 4.519 0.05 A 10 SER HBx H 1 3.854 0.05 A 11 GLY H H 1 8.207 0.05 A 11 GLY CA C 13 44.545 0.15 A 11 GLY N N 15 110.610 0.15 A 14 SER HA H 1 4.419 0.05 A 14 SER HBx H 1 3.801 0.05 A 14 SER CA C 13 58.413 0.15 A 14 SER CB C 13 63.879 0.15 A 15 LEU H H 1 8.084 0.05 A 15 LEU HA H 1 4.248 0.05 A 15 LEU HBx H 1 1.399 0.05 A 15 LEU C C 13 176.667 0.15 A 15 LEU CA C 13 55.550 0.15 A 15 LEU CB C 13 42.257 0.15 A 15 LEU N N 15 123.421 0.15 A 18 PRO HA H 1 4.183 0.05 A 18 PRO HBx H 1 1.922 0.05 A 18 PRO HBy H 1 2.229 0.05 A 18 PRO C C 13 176.735 0.15 A 18 PRO CA C 13 63.490 0.15 A 18 PRO CB C 13 31.985 0.15 A 19 ALA H H 1 8.242 0.05 A 19 ALA HA H 1 4.277 0.05 A 19 ALA HB% H 1 1.348 0.05 A 19 ALA C C 13 177.686 0.15 A 19 ALA CA C 13 52.438 0.15 A 19 ALA CB C 13 19.164 0.15 A 19 ALA N N 15 122.156 0.15 A 20 SER H H 1 7.916 0.05 A 20 SER HBy H 1 3.855 0.05 A 20 SER HBx H 1 3.784 0.05 A 20 SER CA C 13 56.508 0.15 A 20 SER CB C 13 63.579 0.15 A 20 SER N N 15 116.002 0.15 A 21 PRO HA H 1 4.410 0.05 A 21 PRO HBx H 1 1.884 0.05 A 21 PRO HBy H 1 2.242 0.05 A 21 PRO C C 13 176.324 0.15 A 21 PRO CA C 13 62.968 0.15 A 21 PRO CB C 13 31.971 0.15 A 22 ALA H H 1 8.295 0.05 A 22 ALA CA C 13 50.533 0.15 A 22 ALA CB C 13 17.935 0.15 A 22 ALA N N 15 125.657 0.15 A 23 PRO HA H 1 4.473 0.05 A 23 PRO HBx H 1 1.907 0.05 A 23 PRO HBy H 1 2.278 0.05 A 23 PRO C C 13 177.255 0.15 A 23 PRO CA C 13 63.211 0.15 A 23 PRO CB C 13 31.877 0.15 A 24 THR H H 1 8.203 0.05 A 24 THR HA H 1 4.326 0.05 A 24 THR CA C 13 61.854 0.15 A 24 THR CB C 13 69.860 0.15 A 24 THR N N 15 113.523 0.15 A 25 SER H H 1 8.227 0.05 A 25 SER N N 15 117.288 0.15 A 27 PRO CA C 13 63.077 0.15 A 27 PRO CB C 13 32.026 0.15 A 28 ARG H H 1 8.410 0.05 A 28 ARG CA C 13 53.977 0.15 A 28 ARG CB C 13 30.221 0.15 A 28 ARG N N 15 122.692 0.15 A 29 PRO HA H 1 4.393 0.05 A 29 PRO HBy H 1 2.231 0.05 A 29 PRO HBx H 1 1.849 0.05 A 29 PRO C C 13 175.983 0.15 A 30 ARG H H 1 8.309 0.05 A 30 ARG HA H 1 4.119 0.05 A 30 ARG HBx H 1 1.684 0.05 A 30 ARG C C 13 174.974 0.15 A 30 ARG CA C 13 57.101 0.15 A 30 ARG CB C 13 30.956 0.15 A 30 ARG N N 15 121.295 0.15 A 31 LEU H H 1 7.098 0.05 A 31 LEU HA H 1 5.248 0.05 A 31 LEU HBx H 1 0.850 0.05 A 31 LEU HDx% H 1 0.376 0.05 A 31 LEU HDy% H 1 -0.212 0.05 A 31 LEU HG H 1 0.843 0.05 A 31 LEU C C 13 176.663 0.15 A 31 LEU CA C 13 52.712 0.15 A 31 LEU CB C 13 44.300 0.15 A 31 LEU CDx C 13 22.661 0.15 A 31 LEU CDy C 13 25.083 0.15 A 31 LEU CG C 13 26.717 0.15 A 31 LEU N N 15 118.922 0.15 A 32 TRP H H 1 7.526 0.05 A 32 TRP HA H 1 4.759 0.05 A 32 TRP HBx H 1 3.115 0.05 A 32 TRP HBy H 1 3.253 0.05 A 32 TRP HD1 H 1 7.002 0.05 A 32 TRP HE1 H 1 10.104 0.05 A 32 TRP HE3 H 1 7.181 0.05 A 32 TRP HZ2 H 1 7.184 0.05 A 32 TRP C C 13 173.685 0.15 A 32 TRP CA C 13 55.691 0.15 A 32 TRP CB C 13 30.920 0.15 A 32 TRP CE3 C 13 121.197 0.15 A 32 TRP N N 15 116.897 0.15 A 33 GLU H H 1 8.714 0.05 A 33 GLU HA H 1 3.562 0.05 A 33 GLU HBx H 1 1.962 0.05 A 33 GLU HGx H 1 2.149 0.05 A 33 GLU HGy H 1 2.324 0.05 A 33 GLU C C 13 177.057 0.15 A 33 GLU CA C 13 58.792 0.15 A 33 GLU CB C 13 30.161 0.15 A 33 GLU N N 15 118.641 0.15 A 34 GLY H H 1 9.189 0.05 A 34 GLY HAy H 1 4.423 0.05 A 34 GLY HAx H 1 3.528 0.05 A 34 GLY CA C 13 44.612 0.15 A 34 GLY N N 15 112.950 0.15 A 35 GLN H H 1 7.346 0.05 A 35 GLN HA H 1 3.726 0.05 A 35 GLN HBy H 1 1.596 0.05 A 35 GLN HBx H 1 0.242 0.05 A 35 GLN HE2y H 1 6.184 0.05 A 35 GLN HE2x H 1 5.727 0.05 A 35 GLN HGy H 1 1.799 0.05 A 35 GLN HGx H 1 1.574 0.05 A 35 GLN C C 13 175.411 0.15 A 35 GLN CA C 13 56.011 0.15 A 35 GLN CB C 13 30.614 0.15 A 35 GLN CG C 13 32.066 0.15 A 35 GLN N N 15 123.766 0.15 A 36 ASP H H 1 8.413 0.05 A 36 ASP HA H 1 5.309 0.05 A 36 ASP HBx H 1 2.444 0.05 A 36 ASP HBy H 1 2.531 0.05 A 36 ASP C C 13 176.142 0.15 A 36 ASP CA C 13 54.075 0.15 A 36 ASP CB C 13 41.012 0.15 A 36 ASP N N 15 125.487 0.15 A 37 VAL H H 1 9.105 0.05 A 37 VAL HA H 1 4.753 0.05 A 37 VAL HB H 1 1.997 0.05 A 37 VAL HGx% H 1 0.436 0.05 A 37 VAL HGy% H 1 0.351 0.05 A 37 VAL C C 13 173.563 0.15 A 37 VAL CA C 13 59.163 0.15 A 37 VAL CB C 13 36.253 0.15 A 37 VAL CGy C 13 21.984 0.15 A 37 VAL CGx C 13 16.492 0.15 A 37 VAL N N 15 115.943 0.15 A 38 LEU H H 1 8.719 0.05 A 38 LEU HA H 1 4.860 0.05 A 38 LEU HBx H 1 1.054 0.05 A 38 LEU HBy H 1 1.594 0.05 A 38 LEU HDx% H 1 0.638 0.05 A 38 LEU HDy% H 1 0.400 0.05 A 38 LEU HG H 1 1.298 0.05 A 38 LEU C C 13 175.494 0.15 A 38 LEU CA C 13 53.572 0.15 A 38 LEU CB C 13 43.627 0.15 A 38 LEU CDy C 13 25.379 0.15 A 38 LEU CDx C 13 23.015 0.15 A 38 LEU CG C 13 26.970 0.15 A 38 LEU N N 15 118.802 0.15 A 39 ALA H H 1 9.358 0.05 A 39 ALA HA H 1 5.418 0.05 A 39 ALA HB% H 1 1.469 0.05 A 39 ALA C C 13 175.921 0.15 A 39 ALA CA C 13 49.446 0.15 A 39 ALA CB C 13 21.877 0.15 A 39 ALA N N 15 125.457 0.15 A 40 ARG H H 1 8.942 0.05 A 40 ARG HA H 1 4.863 0.05 A 40 ARG HBx H 1 1.668 0.05 A 40 ARG HBy H 1 1.905 0.05 A 40 ARG HDx H 1 3.177 0.05 A 40 ARG HGx H 1 1.451 0.05 A 40 ARG HGy H 1 1.794 0.05 A 40 ARG C C 13 175.333 0.15 A 40 ARG CA C 13 55.978 0.15 A 40 ARG CB C 13 30.418 0.15 A 40 ARG CD C 13 43.050 0.15 A 40 ARG CG C 13 27.152 0.15 A 40 ARG N N 15 125.000 0.15 A 41 TRP H H 1 9.057 0.05 A 41 TRP HA H 1 5.161 0.05 A 41 TRP HBx H 1 3.004 0.05 A 41 TRP HBy H 1 3.995 0.05 A 41 TRP HD1 H 1 6.988 0.05 A 41 TRP HE3 H 1 7.385 0.05 A 41 TRP CA C 13 54.474 0.15 A 41 TRP CB C 13 31.281 0.15 A 41 TRP N N 15 128.368 0.15 A 42 THR H H 1 6.019 0.05 A 42 THR HA H 1 3.752 0.05 A 42 THR HB H 1 3.815 0.05 A 42 THR HG2% H 1 0.631 0.05 A 42 THR C C 13 174.329 0.15 A 42 THR CA C 13 63.780 0.15 A 42 THR CB C 13 67.625 0.15 A 42 THR CG2 C 13 21.673 0.15 A 43 ASP H H 1 7.548 0.05 A 43 ASP HA H 1 4.475 0.05 A 43 ASP HBx H 1 2.693 0.05 A 43 ASP HBy H 1 3.060 0.05 A 43 ASP C C 13 176.713 0.15 A 43 ASP CA C 13 53.198 0.15 A 43 ASP CB C 13 40.236 0.15 A 43 ASP N N 15 118.841 0.15 A 44 GLY H H 1 8.246 0.05 A 44 GLY HAx H 1 3.637 0.05 A 44 GLY HAy H 1 4.228 0.05 A 44 GLY C C 13 173.657 0.15 A 44 GLY CA C 13 45.331 0.15 A 44 GLY N N 15 107.903 0.15 A 45 LEU H H 1 8.393 0.05 A 45 LEU HA H 1 4.600 0.05 A 45 LEU HBx H 1 1.089 0.05 A 45 LEU HBy H 1 2.039 0.05 A 45 LEU HDx% H 1 0.822 0.05 A 45 LEU HDy% H 1 0.770 0.05 A 45 LEU HG H 1 1.368 0.05 A 45 LEU C C 13 174.774 0.15 A 45 LEU CA C 13 53.487 0.15 A 45 LEU CB C 13 41.730 0.15 A 45 LEU CDy C 13 25.510 0.15 A 45 LEU CDx C 13 22.451 0.15 A 45 LEU N N 15 123.389 0.15 A 46 LEU H H 1 8.063 0.05 A 46 LEU HA H 1 5.044 0.05 A 46 LEU HBx H 1 1.112 0.05 A 46 LEU HBy H 1 1.817 0.05 A 46 LEU HDx% H 1 0.685 0.05 A 46 LEU HDy% H 1 0.846 0.05 A 46 LEU HG H 1 1.627 0.05 A 46 LEU C C 13 176.146 0.15 A 46 LEU CA C 13 53.555 0.15 A 46 LEU CB C 13 44.512 0.15 A 46 LEU CDx C 13 23.483 0.15 A 46 LEU CDy C 13 25.602 0.15 A 46 LEU N N 15 118.025 0.15 A 47 TYR H H 1 8.839 0.05 A 47 TYR HA H 1 4.744 0.05 A 47 TYR HBx H 1 2.557 0.05 A 47 TYR HBy H 1 3.189 0.05 A 47 TYR HD1 H 1 6.903 0.05 A 47 TYR C C 13 174.820 0.15 A 47 TYR CA C 13 57.106 0.15 A 47 TYR CB C 13 42.610 0.15 A 47 TYR CDx C 13 133.729 0.15 A 47 TYR N N 15 118.063 0.15 A 48 LEU H H 1 9.134 0.05 A 48 LEU HA H 1 4.900 0.05 A 48 LEU HBx H 1 1.383 0.05 A 48 LEU HBy H 1 1.753 0.05 A 48 LEU HDx% H 1 0.831 0.05 A 48 LEU HG H 1 1.535 0.05 A 48 LEU C C 13 176.600 0.15 A 48 LEU CA C 13 55.248 0.15 A 48 LEU CB C 13 43.206 0.15 A 48 LEU CDx C 13 24.175 0.15 A 48 LEU N N 15 124.866 0.15 A 49 GLY H H 1 9.185 0.05 A 49 GLY HAx H 1 2.989 0.05 A 49 GLY HAy H 1 4.638 0.05 A 49 GLY C C 13 171.682 0.15 A 49 GLY CA C 13 45.113 0.15 A 49 GLY N N 15 112.027 0.15 A 50 THR H H 1 8.542 0.05 A 50 THR HA H 1 5.238 0.05 A 50 THR HB H 1 3.550 0.05 A 50 THR HG2% H 1 1.018 0.05 A 50 THR C C 13 174.815 0.15 A 50 THR CA C 13 60.547 0.15 A 50 THR CB C 13 71.981 0.15 A 50 THR CG2 C 13 21.363 0.15 A 50 THR N N 15 115.417 0.15 A 51 ILE H H 1 8.718 0.05 A 51 ILE HA H 1 3.809 0.05 A 51 ILE HB H 1 2.140 0.05 A 51 ILE HD1% H 1 0.773 0.05 A 51 ILE HG1y H 1 1.625 0.05 A 51 ILE HG1x H 1 0.781 0.05 A 51 ILE HG2% H 1 0.630 0.05 A 51 ILE C C 13 176.312 0.15 A 51 ILE CA C 13 63.181 0.15 A 51 ILE CB C 13 37.011 0.15 A 51 ILE CD1 C 13 14.722 0.15 A 51 ILE CG1 C 13 28.451 0.15 A 51 ILE CG2 C 13 19.336 0.15 A 51 ILE N N 15 125.736 0.15 A 52 LYS H H 1 9.406 0.05 A 52 LYS HA H 1 4.590 0.05 A 52 LYS HBx H 1 1.440 0.05 A 52 LYS HBy H 1 1.724 0.05 A 52 LYS HGx H 1 1.411 0.05 A 52 LYS C C 13 176.199 0.15 A 52 LYS CA C 13 54.585 0.15 A 52 LYS CB C 13 32.357 0.15 A 52 LYS CG C 13 23.758 0.15 A 52 LYS N N 15 128.114 0.15 A 53 LYS H H 1 7.380 0.05 A 53 LYS HA H 1 4.646 0.05 A 53 LYS HBx H 1 1.637 0.05 A 53 LYS HDx H 1 1.677 0.05 A 53 LYS HEx H 1 2.928 0.05 A 53 LYS HGx H 1 1.287 0.05 A 53 LYS C C 13 174.789 0.15 A 53 LYS CA C 13 55.587 0.15 A 53 LYS CB C 13 37.016 0.15 A 53 LYS CD C 13 28.772 0.15 A 53 LYS CE C 13 42.152 0.15 A 53 LYS CG C 13 24.853 0.15 A 53 LYS N N 15 116.526 0.15 A 54 VAL H H 1 9.547 0.05 A 54 VAL HA H 1 4.501 0.05 A 54 VAL HB H 1 2.227 0.05 A 54 VAL HGx% H 1 1.174 0.05 A 54 VAL HGy% H 1 0.841 0.05 A 54 VAL C C 13 174.378 0.15 A 54 VAL CA C 13 62.428 0.15 A 54 VAL CB C 13 34.101 0.15 A 54 VAL CGy C 13 22.336 0.15 A 54 VAL CGx C 13 21.498 0.15 A 54 VAL N N 15 126.337 0.15 A 55 ASP H H 1 8.752 0.05 A 55 ASP HA H 1 5.133 0.05 A 55 ASP HBx H 1 2.364 0.05 A 55 ASP HBy H 1 3.099 0.05 A 55 ASP C C 13 176.760 0.15 A 55 ASP CA C 13 52.720 0.15 A 55 ASP CB C 13 41.776 0.15 A 55 ASP N N 15 127.468 0.15 A 56 SER H H 1 9.100 0.05 A 56 SER HA H 1 4.462 0.05 A 56 SER HBx H 1 4.133 0.05 A 56 SER C C 13 174.823 0.15 A 56 SER CA C 13 60.561 0.15 A 56 SER CB C 13 63.165 0.15 A 56 SER N N 15 120.605 0.15 A 57 ALA H H 1 8.276 0.05 A 57 ALA HA H 1 4.247 0.05 A 57 ALA HB% H 1 1.476 0.05 A 57 ALA C C 13 179.458 0.15 A 57 ALA CA C 13 54.422 0.15 A 57 ALA CB C 13 18.483 0.15 A 57 ALA N N 15 124.749 0.15 A 58 ARG H H 1 7.391 0.05 A 58 ARG HA H 1 4.109 0.05 A 58 ARG HBx H 1 1.296 0.05 A 58 ARG HBy H 1 1.756 0.05 A 58 ARG HDx H 1 3.069 0.05 A 58 ARG C C 13 174.663 0.15 A 58 ARG CA C 13 55.423 0.15 A 58 ARG CB C 13 31.840 0.15 A 58 ARG CD C 13 43.507 0.15 A 58 ARG N N 15 114.760 0.15 A 59 GLU H H 1 7.189 0.05 A 59 GLU HA H 1 1.571 0.05 A 59 GLU HBy H 1 1.792 0.05 A 59 GLU HBx H 1 1.047 0.05 A 59 GLU HGy H 1 1.597 0.05 A 59 GLU HGx H 1 0.788 0.05 A 59 GLU C C 13 175.062 0.15 A 59 GLU CA C 13 56.705 0.15 A 59 GLU CB C 13 25.496 0.15 A 59 GLU CG C 13 36.434 0.15 A 59 GLU N N 15 115.955 0.15 A 60 VAL H H 1 7.453 0.05 A 60 VAL HA H 1 5.117 0.05 A 60 VAL HB H 1 1.861 0.05 A 60 VAL HGx% H 1 0.817 0.05 A 60 VAL C C 13 175.746 0.15 A 60 VAL CA C 13 59.254 0.15 A 60 VAL CB C 13 37.042 0.15 A 60 VAL CGx C 13 21.592 0.15 A 60 VAL N N 15 111.441 0.15 A 61 CYS H H 1 9.391 0.05 A 61 CYS HA H 1 5.396 0.05 A 61 CYS HBx H 1 2.507 0.05 A 61 CYS HBy H 1 2.962 0.05 A 61 CYS C C 13 172.997 0.15 A 61 CYS CA C 13 57.111 0.15 A 61 CYS CB C 13 32.631 0.15 A 61 CYS N N 15 118.835 0.15 A 62 LEU H H 1 8.674 0.05 A 62 LEU HA H 1 4.764 0.05 A 62 LEU HBx H 1 1.275 0.05 A 62 LEU HBy H 1 1.745 0.05 A 62 LEU HDx% H 1 0.742 0.05 A 62 LEU CA C 13 54.947 0.15 A 62 LEU CB C 13 43.781 0.15 A 62 LEU CDx C 13 22.892 0.15 A 62 LEU N N 15 125.001 0.15 A 63 VAL H H 1 9.162 0.05 A 63 VAL HA H 1 4.329 0.05 A 63 VAL HB H 1 1.708 0.05 A 63 VAL HGx% H 1 0.637 0.05 A 63 VAL HGy% H 1 -0.178 0.05 A 63 VAL C C 13 172.896 0.15 A 63 VAL CA C 13 61.228 0.15 A 63 VAL CB C 13 34.245 0.15 A 63 VAL CGy C 13 22.624 0.15 A 63 VAL CGx C 13 21.143 0.15 A 63 VAL N N 15 130.948 0.15 A 64 GLN H H 1 8.713 0.05 A 64 GLN HA H 1 5.388 0.05 A 64 GLN HBx H 1 1.727 0.05 A 64 GLN HBy H 1 1.907 0.05 A 64 GLN HE2y H 1 7.660 0.05 A 64 GLN HE2x H 1 6.798 0.05 A 64 GLN HGx H 1 2.102 0.05 A 64 GLN HGy H 1 2.512 0.05 A 64 GLN C C 13 176.083 0.15 A 64 GLN CA C 13 53.442 0.15 A 64 GLN CB C 13 31.788 0.15 A 64 GLN CG C 13 33.868 0.15 A 64 GLN N N 15 125.317 0.15 A 65 PHE H H 1 9.101 0.05 A 65 PHE HA H 1 4.986 0.05 A 65 PHE HBx H 1 2.939 0.05 A 65 PHE HBy H 1 3.528 0.05 A 65 PHE HD1 H 1 7.383 0.05 A 65 PHE HE1 H 1 7.170 0.05 A 65 PHE HZ H 1 6.862 0.05 A 65 PHE C C 13 177.435 0.15 A 65 PHE CA C 13 58.748 0.15 A 65 PHE CB C 13 39.745 0.15 A 65 PHE CD1 C 13 132.850 0.15 A 65 PHE CE1 C 13 131.015 0.15 A 65 PHE CZ C 13 128.198 0.15 A 65 PHE N N 15 126.899 0.15 A 66 GLU H H 1 9.778 0.05 A 66 GLU HA H 1 4.145 0.05 A 66 GLU HBx H 1 2.169 0.05 A 66 GLU HBy H 1 2.213 0.05 A 66 GLU HGx H 1 2.312 0.05 A 66 GLU HGy H 1 2.575 0.05 A 66 GLU C C 13 175.818 0.15 A 66 GLU CA C 13 59.901 0.15 A 66 GLU CB C 13 31.003 0.15 A 66 GLU CG C 13 37.954 0.15 A 66 GLU N N 15 119.848 0.15 A 67 ASP H H 1 7.934 0.05 A 67 ASP HA H 1 4.492 0.05 A 67 ASP HBx H 1 2.302 0.05 A 67 ASP HBy H 1 3.076 0.05 A 67 ASP C C 13 176.079 0.15 A 67 ASP CA C 13 52.954 0.15 A 67 ASP CB C 13 40.342 0.15 A 67 ASP N N 15 115.699 0.15 A 68 ASP H H 1 8.236 0.05 A 68 ASP HA H 1 4.250 0.05 A 68 ASP HBx H 1 2.866 0.05 A 68 ASP HBy H 1 3.144 0.05 A 68 ASP C C 13 175.086 0.15 A 68 ASP CA C 13 57.122 0.15 A 68 ASP CB C 13 38.728 0.15 A 68 ASP N N 15 113.566 0.15 A 69 SER H H 1 8.067 0.05 A 69 SER HA H 1 4.142 0.05 A 69 SER HBx H 1 3.846 0.05 A 69 SER C C 13 173.471 0.15 A 69 SER CA C 13 59.606 0.15 A 69 SER CB C 13 63.982 0.15 A 69 SER N N 15 117.657 0.15 A 70 GLN H H 1 8.014 0.05 A 70 GLN HA H 1 5.797 0.05 A 70 GLN HBx H 1 1.638 0.05 A 70 GLN HBy H 1 1.727 0.05 A 70 GLN HE2x H 1 6.624 0.05 A 70 GLN HE2y H 1 7.509 0.05 A 70 GLN HGy H 1 2.363 0.05 A 70 GLN HGx H 1 1.847 0.05 A 70 GLN C C 13 175.146 0.15 A 70 GLN CA C 13 54.174 0.15 A 70 GLN CB C 13 31.854 0.15 A 70 GLN CG C 13 33.830 0.15 A 70 GLN N N 15 117.461 0.15 A 71 PHE H H 1 8.734 0.05 A 71 PHE HA H 1 4.933 0.05 A 71 PHE HBx H 1 2.803 0.05 A 71 PHE HBy H 1 3.571 0.05 A 71 PHE HD1 H 1 7.349 0.05 A 71 PHE HE1 H 1 7.170 0.05 A 71 PHE CA C 13 56.906 0.15 A 71 PHE CB C 13 45.107 0.15 A 71 PHE CDx C 13 132.259 0.15 A 71 PHE N N 15 118.756 0.15 A 72 LEU H H 1 8.917 0.05 A 72 LEU HA H 1 5.089 0.05 A 72 LEU HBx H 1 1.239 0.05 A 72 LEU HBy H 1 1.879 0.05 A 72 LEU HDx% H 1 0.796 0.05 A 72 LEU HDy% H 1 0.945 0.05 A 72 LEU HG H 1 1.705 0.05 A 72 LEU C C 13 176.899 0.15 A 72 LEU CA C 13 54.762 0.15 A 72 LEU CB C 13 42.246 0.15 A 72 LEU CDy C 13 23.009 0.15 A 72 LEU N N 15 123.439 0.15 A 73 VAL H H 1 9.314 0.05 A 73 VAL HA H 1 4.437 0.05 A 73 VAL HB H 1 1.911 0.05 A 73 VAL HGx% H 1 1.343 0.05 A 73 VAL HGy% H 1 1.156 0.05 A 73 VAL C C 13 175.342 0.15 A 73 VAL CA C 13 61.171 0.15 A 73 VAL CB C 13 36.232 0.15 A 73 VAL CGy C 13 22.707 0.15 A 73 VAL CGx C 13 21.465 0.15 A 73 VAL N N 15 125.389 0.15 A 74 LEU H H 1 9.288 0.05 A 74 LEU HA H 1 4.645 0.05 A 74 LEU HBx H 1 1.900 0.05 A 74 LEU HDx% H 1 0.987 0.05 A 74 LEU HG H 1 1.950 0.05 A 74 LEU C C 13 179.119 0.15 A 74 LEU CA C 13 56.138 0.15 A 74 LEU CB C 13 42.169 0.15 A 74 LEU CDx C 13 25.810 0.15 A 74 LEU CG C 13 27.594 0.15 A 74 LEU N N 15 127.929 0.15 A 75 TRP H H 1 8.634 0.05 A 75 TRP HA H 1 4.291 0.05 A 75 TRP HBx H 1 3.197 0.05 A 75 TRP HBy H 1 3.303 0.05 A 75 TRP HD1 H 1 6.702 0.05 A 75 TRP HE1 H 1 8.205 0.05 A 75 TRP HE3 H 1 7.533 0.05 A 75 TRP HH2 H 1 7.325 0.05 A 75 TRP HZ2 H 1 7.147 0.05 A 75 TRP HZ3 H 1 7.221 0.05 A 75 TRP C C 13 179.099 0.15 A 75 TRP CA C 13 59.411 0.15 A 75 TRP CB C 13 28.939 0.15 A 75 TRP CD1 C 13 122.541 0.15 A 75 TRP CE3 C 13 121.368 0.15 A 75 TRP CH2 C 13 125.568 0.15 A 75 TRP CZ2 C 13 113.820 0.15 A 75 TRP CZ3 C 13 123.093 0.15 A 75 TRP N N 15 121.509 0.15 A 75 TRP NE1 N 15 125.191 0.15 A 76 LYS H H 1 8.273 0.05 A 76 LYS HA H 1 4.323 0.05 A 76 LYS HBx H 1 1.914 0.05 A 76 LYS HEx H 1 2.979 0.05 A 76 LYS HEy H 1 3.023 0.05 A 76 LYS HGx H 1 1.336 0.05 A 76 LYS HGy H 1 1.452 0.05 A 76 LYS C C 13 176.087 0.15 A 76 LYS CA C 13 58.338 0.15 A 76 LYS CB C 13 31.440 0.15 A 76 LYS CE C 13 42.187 0.15 A 76 LYS N N 15 113.979 0.15 A 77 ASP H H 1 7.954 0.05 A 77 ASP HA H 1 5.024 0.05 A 77 ASP HBx H 1 2.839 0.05 A 77 ASP HBy H 1 3.389 0.05 A 77 ASP C C 13 174.603 0.15 A 77 ASP CA C 13 54.805 0.15 A 77 ASP CB C 13 42.768 0.15 A 77 ASP N N 15 119.992 0.15 A 78 ILE H H 1 7.716 0.05 A 78 ILE HA H 1 4.738 0.05 A 78 ILE HB H 1 1.775 0.05 A 78 ILE HD1% H 1 0.695 0.05 A 78 ILE HG1y H 1 1.960 0.05 A 78 ILE HG1x H 1 0.655 0.05 A 78 ILE HG2% H 1 0.626 0.05 A 78 ILE C C 13 174.944 0.15 A 78 ILE CA C 13 61.210 0.15 A 78 ILE CB C 13 40.164 0.15 A 78 ILE CD1 C 13 14.538 0.15 A 78 ILE CG1 C 13 28.494 0.15 A 78 ILE CG2 C 13 18.867 0.15 A 78 ILE N N 15 121.009 0.15 A 79 SER H H 1 8.919 0.05 A 79 SER HA H 1 4.974 0.05 A 79 SER HBx H 1 3.668 0.05 A 79 SER HBy H 1 3.827 0.05 A 79 SER CA C 13 55.362 0.15 A 79 SER CB C 13 64.648 0.15 A 79 SER N N 15 122.355 0.15 A 80 PRO HA H 1 4.259 0.05 A 80 PRO HBx H 1 1.835 0.05 A 80 PRO HBy H 1 2.247 0.05 A 80 PRO HDx H 1 3.649 0.05 A 80 PRO HGx H 1 1.777 0.05 A 80 PRO HGy H 1 2.068 0.05 A 80 PRO C C 13 175.768 0.15 A 80 PRO CA C 13 63.462 0.15 A 80 PRO CB C 13 32.152 0.15 A 80 PRO CG C 13 27.808 0.15 A 81 ALA H H 1 8.050 0.05 A 81 ALA HA H 1 4.132 0.05 A 81 ALA HB% H 1 1.058 0.05 A 81 ALA C C 13 176.504 0.15 A 81 ALA CA C 13 52.474 0.15 A 81 ALA CB C 13 18.782 0.15 A 81 ALA N N 15 124.762 0.15 A 82 ALA H H 1 8.033 0.05 A 82 ALA HA H 1 4.402 0.05 A 82 ALA HB% H 1 1.337 0.05 A 82 ALA C C 13 175.913 0.15 A 82 ALA CA C 13 51.960 0.15 A 82 ALA CB C 13 19.164 0.15 A 82 ALA N N 15 123.447 0.15 A 83 LEU H H 1 7.843 0.05 A 83 LEU CA C 13 56.817 0.15 A 83 LEU CB C 13 43.310 0.15 A 83 LEU N N 15 127.853 0.15 B 332 THR HA H 1 4.406 0.05 B 333 GLY H H 1 8.656 0.05 B 333 GLY HAx H 1 3.972 0.05 B 333 GLY HAy H 1 4.019 0.05 B 334 GLY H H 1 8.265 0.05 B 334 GLY HAx H 1 3.935 0.05 B 334 GLY HAy H 1 4.018 0.05 B 335 VAL H H 1 7.975 0.05 B 335 VAL HA H 1 4.189 0.05 B 335 VAL HB H 1 1.990 0.05 B 335 VAL HGx% H 1 0.911 0.05 B 336 M3L H H 1 8.548 0.05 B 336 M3L HA H 1 4.433 0.05 B 336 M3L HB3 H 1 1.706 0.05 B 336 M3L HD2 H 1 1.649 0.05 B 336 M3L HE2 H 1 2.932 0.05 B 336 M3L HG2 H 1 1.295 0.05 B 336 M3L HG3 H 1 1.409 0.05 B 336 M3L HM11 H 1 1.713 0.05 B 336 M3L HM12 H 1 1.713 0.05 B 336 M3L HM13 H 1 1.713 0.05 B 336 M3L HM21 H 1 1.291 0.05 B 336 M3L HM22 H 1 1.291 0.05 B 336 M3L HM23 H 1 1.291 0.05 B 337 LYS H H 1 8.681 0.05 B 337 LYS HA H 1 4.772 0.05 B 337 LYS HBx H 1 1.961 0.05 B 337 LYS HDx H 1 1.748 0.05 B 337 LYS HEx H 1 2.993 0.05 B 338 PRO HA H 1 4.827 0.05 B 338 PRO HBx H 1 1.770 0.05 B 338 PRO HBy H 1 1.819 0.05 B 338 PRO HDy H 1 3.848 0.05 B 338 PRO HDx H 1 3.652 0.05 B 338 PRO HGx H 1 1.957 0.05 B 339 HIS H H 1 8.773 0.05 B 339 HIS HA H 1 4.760 0.05 B 339 HIS HBx H 1 2.901 0.05 B 339 HIS HD2 H 1 6.884 0.05 B 339 HIS HE1 H 1 8.071 0.05 B 340 ARG H H 1 8.042 0.05 B 340 ARG HA H 1 4.270 0.05 B 340 ARG HBx H 1 1.594 0.05 B 340 ARG HBy H 1 1.731 0.05 B 340 ARG HDx H 1 3.110 0.05 B 340 ARG HGx H 1 1.482 0.05 B 341 TYR H H 1 7.717 0.05 B 341 TYR HA H 1 4.309 0.05 B 341 TYR HBx H 1 2.827 0.05 B 341 TYR HBy H 1 3.056 0.05 B 341 TYR HDx H 1 7.113 0.05 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_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 10 SER HA A 11 GLY H 1.0 1.8 4.2 2 2 A 14 SER HA A 15 LEU H 1.0 1.8 4.4 3 3 A 14 SER HA A 16 TRP H 1.0 1.8 5.0 4 4 A 15 LEU H A 14 SER HBy 1.0 1.8 5.0 5 5 A 15 LEU H A 15 LEU HA 1.0 1.8 4.4 6 6 A 15 LEU H A 15 LEU HBy 1.0 1.8 4.4 7 7 A 15 LEU HA A 15 LEU HBy 1.0 1.8 5.0 8 8 A 16 TRP H A 15 LEU HA 1.0 1.8 4.6 9 9 A 16 TRP H A 15 LEU HBy 1.0 1.8 5.0 10 10 A 16 TRP H A 16 TRP HBy 1.0 1.8 4.8 11 11 A 16 TRP H A 16 TRP HBx 1.0 1.8 5.0 12 12 A 18 PRO HA A 19 ALA H 1.0 1.8 4.6 13 13 A 18 PRO HA A 18 PRO HBy 1.0 1.8 5.0 14 14 A 19 ALA H A 18 PRO HBy 1.0 1.8 5.0 15 15 A 18 PRO HA A 18 PRO HBx 1.0 1.8 4.8 16 16 A 19 ALA H A 18 PRO HBx 1.0 1.8 5.0 17 17 A 19 ALA H A 19 ALA HA 1.0 1.8 3.6 18 18 A 19 ALA H A 19 ALA HB% 1.0 1.8 4.4 19 19 A 19 ALA H A 20 SER H 1.0 1.8 4.6 20 20 A 19 ALA HA A 20 SER H 1.0 1.8 4.4 21 21 A 19 ALA HA A 19 ALA HB% 1.0 1.8 4.4 22 22 A 19 ALA HB% A 20 SER H 1.0 1.8 5.0 23 23 A 21 PRO HA A 22 ALA H 1.0 1.8 3.8 24 24 A 21 PRO HA A 21 PRO HBy 1.0 1.8 4.6 25 25 A 22 ALA H A 21 PRO HBy 1.0 1.8 5.0 26 26 A 21 PRO HA A 21 PRO HBx 1.0 1.8 4.0 27 27 A 22 ALA H A 21 PRO HBx 1.0 1.8 5.0 28 28 A 23 PRO HA A 24 THR H 1.0 1.8 4.2 29 29 A 23 PRO HA A 23 PRO HBx 1.0 1.8 5.0 30 30 A 24 THR H A 23 PRO HBx 1.0 1.8 5.0 31 31 A 24 THR HA A 25 SER H 1.0 1.8 5.0 32 32 A 29 PRO HA A 30 ARG H 1.0 1.8 4.0 33 33 A 30 ARG H A 29 PRO HBx 1.0 1.8 5.0 34 34 A 30 ARG H A 29 PRO HBy 1.0 1.8 5.0 35 35 A 30 ARG H A 30 ARG HA 1.0 1.8 5.0 36 36 A 30 ARG H A 30 ARG HBy 1.0 1.8 4.4 37 37 A 30 ARG H A 31 LEU H 1.0 1.8 5.0 38 38 A 30 ARG HA A 30 ARG HBy 1.0 1.8 4.6 39 39 A 30 ARG HA A 31 LEU H 1.0 1.8 4.2 40 40 A 30 ARG HBy A 31 LEU H 1.0 1.8 5.0 41 41 A 30 ARG HBy A 31 LEU HA 1.0 1.8 5.0 42 42 A 30 ARG HBy A 31 LEU HBy 1.0 1.8 5.5 43 43 A 31 LEU H A 31 LEU HA 1.0 1.8 5.0 44 44 A 31 LEU H A 31 LEU HBy 1.0 1.8 4.4 45 45 A 31 LEU H A 31 LEU HDx% 1.0 1.8 5.0 46 46 A 31 LEU H A 31 LEU HDy% 1.0 1.8 5.0 47 47 A 31 LEU H A 32 TRP HBy 1.0 1.8 5.0 48 48 A 31 LEU HA A 31 LEU HBy 1.0 1.8 4.6 49 49 A 31 LEU HA A 31 LEU HDx% 1.0 1.8 4.0 50 50 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 5.0 51 51 A 31 LEU HA A 32 TRP H 1.0 1.8 4.0 52 52 A 31 LEU HA A 51 ILE HD1% 1.0 1.8 5.0 53 53 A 31 LEU HA A 51 ILE HG2% 1.0 1.8 5.0 54 54 A 31 LEU HA A 35 GLN HE2x 1.0 1.8 5.0 55 55 A 31 LEU HBy A 31 LEU HDx% 1.0 1.8 5.0 56 56 A 31 LEU HBy A 31 LEU HDy% 1.0 1.8 5.0 57 57 A 31 LEU HBy A 32 TRP H 1.0 1.8 5.0 58 58 A 31 LEU HDx% A 31 LEU HDy% 1.0 1.8 4.6 59 59 A 31 LEU HDx% A 32 TRP H 1.0 1.8 5.0 60 60 A 31 LEU HDx% A 35 GLN HE2y 1.0 1.8 5.0 61 61 A 31 LEU HDx% A 35 GLN HE2x 1.0 1.8 5.0 62 62 A 31 LEU HDx% A 54 VAL HGy% 1.0 1.8 5.2 63 63 A 31 LEU HDx% A 78 ILE HB 1.0 1.8 5.0 64 64 A 31 LEU HDy% A 35 GLN HGy 1.0 1.8 5.5 65 65 A 31 LEU HDy% A 75 TRP HA 1.0 1.8 5.0 66 66 A 31 LEU HDy% A 75 TRP HBy 1.0 1.8 5.0 67 67 A 31 LEU HDy% A 75 TRP HBx 1.0 1.8 5.0 68 68 A 31 LEU HDy% A 75 TRP HD1 1.0 1.8 4.8 69 69 A 31 LEU HDy% A 75 TRP HE1 1.0 1.8 5.0 70 70 A 31 LEU HDy% A 78 ILE HB 1.0 1.8 5.0 71 71 A 31 LEU HDy% A 78 ILE HD1% 1.0 1.8 5.0 72 72 A 32 TRP H A 32 TRP HA 1.0 1.8 5.0 73 73 A 32 TRP HBy A 32 TRP H 1.0 1.8 5.0 74 74 A 32 TRP H A 32 TRP HE1 1.0 1.4 4.6 75 75 A 32 TRP H A 35 GLN HBx 1.0 1.8 5.0 76 76 A 32 TRP H A 35 GLN HBy 1.0 1.8 5.0 77 77 A 32 TRP H A 51 ILE HG1y 1.0 1.8 4.4 78 78 A 32 TRP H A 51 ILE HD1% 1.0 1.8 5.2 79 79 A 32 TRP H A 51 ILE HG2% 1.0 1.8 5.0 80 80 A 32 TRP HBy A 32 TRP HA 1.0 1.8 5.0 81 81 A 32 TRP HA A 33 GLU H 1.0 1.8 3.8 82 82 A 32 TRP HA A 54 VAL HGx% 1.0 1.8 5.0 83 83 A 54 VAL HGy% A 32 TRP HA 1.0 1.8 5.0 84 84 A 32 TRP HBy A 32 TRP HD1 1.0 1.8 4.2 85 85 A 32 TRP HBy A 32 TRP HE3 1.0 1.8 4.6 86 86 A 32 TRP HBy A 32 TRP HE1 1.0 1.8 5.3 87 87 A 32 TRP HBy A 33 GLU H 1.0 1.8 4.4 88 88 A 32 TRP HD1 A 32 TRP HBx 1.0 1.8 4.4 89 89 A 32 TRP HE1 A 32 TRP HBx 1.0 1.8 5.2 90 90 A 32 TRP HBy A 32 TRP HE3 1.0 1.8 4.8 91 91 A 33 GLU H A 32 TRP HBx 1.0 1.8 4.8 92 92 A 32 TRP HE1 A 32 TRP HD1 1.0 1.8 3.8 93 93 A 32 TRP HD1 A 35 GLN HA 1.0 1.8 5.0 94 94 A 32 TRP HE1 A 35 GLN HA 1.0 1.8 5.0 95 95 A 32 TRP HE1 A 35 GLN HBx 1.0 1.8 5.0 96 96 A 32 TRP HE1 A 35 GLN HBy 1.0 1.8 5.0 97 97 A 35 GLN HE2y A 32 TRP HE1 1.0 1.8 5.0 98 98 A 35 GLN HE2x A 32 TRP HE1 1.0 1.8 5.0 99 99 A 32 TRP HE1 A 35 GLN HGx 1.0 1.8 5.0 100 100 A 32 TRP HE1 A 36 ASP H 1.0 1.8 5.0 101 101 A 32 TRP HE1 A 32 TRP HZ2 1.0 1.8 4.2 102 102 A 33 GLU H A 33 GLU HA 1.0 1.8 4.8 103 103 A 33 GLU H A 33 GLU HBy 1.0 1.8 5.0 104 104 A 33 GLU H A 33 GLU HGx 1.0 1.8 4.4 105 105 A 33 GLU H A 34 GLY H 1.0 1.8 5.0 106 106 A 54 VAL HGy% A 33 GLU H 1.0 1.8 5.0 107 107 A 33 GLU HA A 33 GLU HBy 1.0 1.8 4.8 108 108 A 33 GLU HA A 33 GLU HGy 1.0 1.8 4.4 109 109 A 33 GLU HA A 33 GLU HGx 1.0 1.8 5.0 110 110 A 33 GLU HA A 34 GLY H 1.0 1.8 3.6 111 111 A 33 GLU HA A 35 GLN H 1.0 1.8 5.0 112 112 A 33 GLU HA A 51 ILE HB 1.0 1.8 5.0 113 113 A 51 ILE HG2% A 33 GLU HA 1.0 1.7 4.7 114 114 A 54 VAL HGy% A 33 GLU HA 1.0 1.8 5.0 115 115 A 33 GLU HBy A 34 GLY H 1.0 1.8 5.0 116 116 A 33 GLU HGy A 54 VAL H 1.0 1.8 5.0 117 117 A 33 GLU HGx A 34 GLY H 1.0 1.8 5.0 118 118 A 51 ILE HG2% A 33 GLU HGx 1.0 1.8 5.0 119 119 A 33 GLU HGx A 54 VAL H 1.0 1.8 5.0 120 120 A 34 GLY H A 34 GLY HAx 1.0 1.8 5.0 121 121 A 34 GLY H A 35 GLN H 1.0 1.8 4.6 122 122 A 35 GLN HA A 34 GLY H 1.0 1.8 5.0 123 123 A 34 GLY H A 50 THR HA 1.0 1.8 5.0 124 124 A 34 GLY H A 50 THR HG2% 1.0 1.8 5.0 125 125 A 34 GLY H A 51 ILE HB 1.0 1.8 4.8 126 126 A 51 ILE HG2% A 34 GLY H 1.0 1.8 5.0 127 127 A 35 GLN H A 34 GLY HAy 1.0 1.8 5.0 128 128 A 35 GLN H A 34 GLY HAx 1.0 1.8 4.8 129 129 A 34 GLY HAx A 50 THR HG2% 1.0 1.8 4.4 130 130 A 35 GLN HA A 35 GLN H 1.0 1.8 4.8 131 131 A 35 GLN HBx A 35 GLN H 1.0 1.8 4.2 132 132 A 35 GLN HBy A 35 GLN H 1.0 1.8 4.4 133 133 A 35 GLN HGx A 35 GLN H 1.0 1.8 5.0 134 134 A 36 ASP H A 35 GLN H 1.0 1.8 5.0 135 135 A 35 GLN H A 50 THR HG2% 1.0 1.8 5.0 136 136 A 35 GLN H A 51 ILE H 1.0 1.8 5.0 137 137 A 35 GLN H A 51 ILE HB 1.0 1.8 4.6 138 138 A 51 ILE HD1% A 35 GLN H 1.0 1.8 5.2 139 139 A 51 ILE HG2% A 35 GLN H 1.0 1.8 5.0 140 140 A 35 GLN HBx A 35 GLN HA 1.0 1.8 5.0 141 141 A 35 GLN HBy A 35 GLN HA 1.0 1.8 5.0 142 142 A 35 GLN HA A 35 GLN HGx 1.0 1.8 5.0 143 143 A 35 GLN HGy A 35 GLN HA 1.0 1.8 5.0 144 144 A 35 GLN HA A 36 ASP H 1.0 1.8 3.6 145 145 A 35 GLN HBx A 35 GLN HBy 1.0 1.8 4.6 146 146 A 35 GLN HBx A 36 ASP H 1.0 1.8 5.0 147 147 A 35 GLN HBx A 37 VAL HGx% 1.0 1.8 4.8 148 148 A 35 GLN HBy A 35 GLN HGx 1.0 1.8 5.0 149 149 A 35 GLN HGy A 35 GLN HBy 1.0 1.8 5.0 150 150 A 35 GLN HBy A 36 ASP H 1.0 1.8 5.0 151 151 A 35 GLN HBy A 51 ILE H 1.0 1.8 5.0 152 152 A 35 GLN HE2y A 35 GLN HGx 1.0 1.8 5.0 153 153 A 35 GLN HGx A 36 ASP H 1.0 1.8 5.0 154 154 A 35 GLN HGx A 37 VAL HGx% 1.0 1.8 5.0 155 155 A 35 GLN HE2y A 35 GLN HGy 1.0 1.8 5.0 156 156 A 35 GLN HE2x A 35 GLN HGy 1.0 1.8 5.0 157 157 A 35 GLN HGy A 36 ASP H 1.0 1.8 5.0 158 158 A 35 GLN HGy A 37 VAL HGx% 1.0 1.8 5.0 159 159 A 35 GLN HE2y A 37 VAL HGx% 1.0 1.8 5.0 160 160 A 35 GLN HE2y A 80 PRO HBx 1.0 1.8 5.0 161 161 A 35 GLN HE2x A 80 PRO HBx 1.0 1.8 5.0 162 162 A 35 GLN HE2x A 80 PRO HGy 1.0 1.8 5.0 163 163 A 36 ASP H A 36 ASP HA 1.0 1.8 5.0 164 164 A 36 ASP H A 36 ASP HBy 1.0 1.8 4.8 165 165 A 36 ASP H A 36 ASP HBx 1.0 1.8 4.2 166 166 A 36 ASP H A 37 VAL H 1.0 1.8 5.0 167 167 A 36 ASP HA A 36 ASP HBy 1.0 1.8 5.0 168 168 A 36 ASP HA A 36 ASP HBx 1.0 1.8 5.0 169 169 A 36 ASP HA A 37 VAL H 1.0 1.8 3.8 170 170 A 37 VAL HGx% A 36 ASP HA 1.0 1.8 5.0 171 171 A 36 ASP HA A 37 VAL HGy% 1.0 1.8 5.0 172 172 A 36 ASP HA A 48 LEU HDx% 1.0 1.8 5.0 173 173 A 36 ASP HA A 49 GLY H 1.0 1.8 5.0 174 174 A 50 THR HG2% A 36 ASP HA 1.0 1.8 5.0 175 175 A 51 ILE H A 36 ASP HA 1.0 1.8 5.0 176 176 A 36 ASP HBy A 37 VAL H 1.0 1.8 5.0 177 177 A 36 ASP HBy A 48 LEU HDx% 1.0 1.8 5.0 178 178 A 36 ASP HBy A 49 GLY H 1.0 1.8 5.0 179 179 A 36 ASP HBy A 81 ALA H 1.0 1.8 5.0 180 180 A 36 ASP HBy A 81 ALA HB% 1.0 1.8 4.6 181 181 A 36 ASP HBx A 37 VAL H 1.0 1.8 5.0 182 182 A 36 ASP HBx A 48 LEU HDx% 1.0 1.8 5.0 183 183 A 50 THR HG2% A 36 ASP HBx 1.0 1.8 5.0 184 184 A 36 ASP HBx A 81 ALA HB% 1.0 1.8 4.8 185 185 A 37 VAL H A 37 VAL HA 1.0 1.8 5.0 186 186 A 37 VAL H A 37 VAL HB 1.0 1.8 5.0 187 187 A 37 VAL HGx% A 37 VAL H 1.0 1.8 5.0 188 188 A 37 VAL H A 37 VAL HGy% 1.0 1.8 4.0 189 189 A 37 VAL H A 48 LEU HDx% 1.0 1.8 5.0 190 190 A 37 VAL H A 50 THR H 1.0 1.8 5.0 191 191 A 50 THR HA A 37 VAL H 1.0 1.8 5.0 192 192 A 50 THR HG2% A 37 VAL H 1.0 1.8 5.0 193 193 A 37 VAL H A 51 ILE HG1x 1.0 1.8 5.5 194 194 A 37 VAL H A 63 VAL HGy% 1.0 1.8 5.3 195 195 A 37 VAL H A 81 ALA H 1.0 1.8 5.0 196 196 A 37 VAL H A 81 ALA HB% 1.0 1.8 5.0 197 197 A 37 VAL HA A 37 VAL HB 1.0 1.8 4.8 198 198 A 37 VAL HGx% A 37 VAL HA 1.0 1.8 4.8 199 199 A 37 VAL HGy% A 37 VAL HA 1.0 1.8 5.0 200 200 A 81 ALA H A 37 VAL HA 1.0 1.8 4.0 201 201 A 81 ALA HB% A 37 VAL HA 1.0 1.8 5.0 202 202 A 37 VAL HGy% A 37 VAL HB 1.0 1.8 4.6 203 203 A 37 VAL HB A 38 LEU H 1.0 1.8 3.8 204 204 A 51 ILE HD1% A 37 VAL HB 1.0 1.8 5.0 205 205 A 37 VAL HB A 78 ILE HG2% 1.0 1.8 4.4 206 206 A 37 VAL HB A 79 SER H 1.0 1.8 5.0 207 207 A 37 VAL HB A 80 PRO HA 1.0 1.8 5.0 208 208 A 81 ALA H A 37 VAL HB 1.0 1.8 5.0 209 209 A 37 VAL HGx% A 37 VAL HB 1.0 1.8 4.6 210 210 A 37 VAL HGx% A 38 LEU H 1.0 1.8 5.0 211 211 A 37 VAL HGx% A 51 ILE HG1x 1.0 1.8 4.4 212 212 A 37 VAL HGx% A 80 PRO HA 1.0 1.8 4.6 213 213 A 37 VAL HGx% A 80 PRO HGy 1.0 1.8 4.6 214 214 A 37 VAL HGx% A 81 ALA H 1.0 1.8 5.0 215 215 A 37 VAL HGy% A 38 LEU H 1.0 1.8 5.0 216 216 A 37 VAL HGy% A 39 ALA H 1.0 1.8 5.0 217 217 A 37 VAL HGy% A 39 ALA HB% 1.0 1.8 5.0 218 218 A 37 VAL HGy% A 49 GLY H 1.0 1.8 4.8 219 219 A 37 VAL HGy% A 49 GLY HAx 1.0 1.8 5.0 220 220 A 37 VAL HGy% A 49 GLY HAy 1.0 1.8 5.0 221 221 A 50 THR HA A 37 VAL HGy% 1.0 1.8 5.0 222 222 A 51 ILE H A 37 VAL HGy% 1.0 1.8 5.0 223 223 A 37 VAL HGy% A 51 ILE HG1x 1.0 1.8 5.0 224 224 A 37 VAL HGy% A 63 VAL HA 1.0 1.8 5.0 225 225 A 37 VAL HGy% A 63 VAL HGy% 1.0 1.8 4.8 226 226 A 38 LEU H A 38 LEU HBy 1.0 1.8 5.0 227 227 A 38 LEU H A 38 LEU HBx 1.0 1.8 4.6 228 228 A 38 LEU H A 38 LEU HG 1.0 1.8 5.0 229 229 A 38 LEU H A 38 LEU HDx% 1.0 1.8 4.8 230 230 A 38 LEU H A 38 LEU HDy% 1.0 1.8 5.0 231 231 A 38 LEU H A 39 ALA H 1.0 1.8 5.0 232 232 A 38 LEU H A 78 ILE HG2% 1.0 1.8 5.0 233 233 A 38 LEU H A 79 SER HBy 1.0 1.8 5.0 234 234 A 38 LEU H A 80 PRO HA 1.0 1.8 5.0 235 235 A 81 ALA H A 38 LEU H 1.0 1.8 5.0 236 236 A 38 LEU HBy A 38 LEU HA 1.0 1.8 5.0 237 237 A 38 LEU HBx A 38 LEU HA 1.0 1.8 5.0 238 238 A 38 LEU HDx% A 38 LEU HA 1.0 1.8 5.0 239 239 A 38 LEU HDy% A 38 LEU HA 1.0 1.8 4.2 240 240 A 39 ALA H A 38 LEU HA 1.0 1.8 3.8 241 241 A 38 LEU HA A 46 LEU HDx% 1.0 1.8 4.2 242 242 A 38 LEU HBy A 38 LEU HBx 1.0 1.8 4.0 243 243 A 38 LEU HBy A 38 LEU HDx% 1.0 1.8 5.0 244 244 A 38 LEU HBy A 38 LEU HDy% 1.0 1.8 5.0 245 245 A 39 ALA H A 38 LEU HBy 1.0 1.8 5.0 246 246 A 38 LEU HBy A 48 LEU HA 1.0 1.8 5.0 247 247 A 38 LEU HBy A 79 SER HBy 1.0 1.8 5.0 248 248 A 38 LEU HBx A 38 LEU HDy% 1.0 1.8 5.0 249 249 A 39 ALA H A 38 LEU HBx 1.0 1.8 5.0 250 250 A 38 LEU HBx A 46 LEU HDx% 1.0 1.8 5.0 251 251 A 79 SER H A 38 LEU HBx 1.0 1.8 5.0 252 252 A 38 LEU HBx A 79 SER HBy 1.0 1.8 5.0 253 253 A 38 LEU HBx A 79 SER HBx 1.0 1.8 5.0 254 254 A 38 LEU HBx A 81 ALA HA 1.0 1.8 5.0 255 255 A 38 LEU HG A 46 LEU HDy% 1.0 1.8 5.0 256 256 A 38 LEU HG A 81 ALA HA 1.0 1.8 5.0 257 257 A 38 LEU HDx% B 339 HIS HBy 1.0 1.8 5.0 258 258 A 38 LEU HDx% B 339 HIS HD2 1.0 1.8 5.0 259 259 A 38 LEU HG A 38 LEU HDx% 1.0 1.8 4.8 260 260 A 81 ALA H A 38 LEU HDx% 1.0 1.8 5.0 261 261 A 38 LEU HDx% A 81 ALA HA 1.0 1.8 5.0 262 262 A 38 LEU HDx% B 338 PRO HBy 1.0 1.8 5.2 263 263 A 38 LEU HDy% B 338 PRO HBy 1.0 1.8 4.8 264 264 A 38 LEU HDy% B 339 HIS HBy 1.0 1.8 4.8 265 265 A 38 LEU HDy% B 339 HIS HD2 1.0 1.8 5.0 266 266 A 38 LEU HG A 38 LEU HDy% 1.0 1.8 4.8 267 267 A 39 ALA H A 38 LEU HDy% 1.0 1.8 5.0 268 268 A 38 LEU HDy% A 46 LEU HBy 1.0 1.8 5.0 269 269 A 38 LEU HDy% A 46 LEU HBx 1.0 1.8 5.6 270 270 A 38 LEU HDy% A 47 TYR H 1.0 1.8 4.6 271 271 A 38 LEU HDy% A 48 LEU H 1.0 1.8 5.0 272 272 A 38 LEU HDy% A 48 LEU HA 1.0 1.8 4.6 273 273 A 38 LEU HDy% A 48 LEU HBy 1.0 1.8 5.0 274 274 A 49 GLY H A 38 LEU HDy% 1.0 1.8 4.8 275 275 A 38 LEU HDy% A 79 SER HBy 1.0 1.8 5.0 276 276 A 38 LEU HDy% A 81 ALA HA 1.0 1.8 5.0 277 277 A 39 ALA H A 39 ALA HA 1.0 1.8 5.0 278 278 A 39 ALA H A 39 ALA HB% 1.0 1.8 4.2 279 279 A 39 ALA H A 40 ARG H 1.0 1.8 5.0 280 280 A 39 ALA H A 46 LEU HG 1.0 1.8 5.0 281 281 A 39 ALA H A 46 LEU HDx% 1.0 1.8 5.0 282 282 A 39 ALA H A 47 TYR H 1.0 1.8 4.6 283 283 A 39 ALA H A 48 LEU HA 1.0 1.8 5.0 284 284 A 39 ALA H A 65 PHE HE1 1.0 1.8 5.0 285 285 A 39 ALA HB% A 39 ALA HA 1.0 1.8 3.8 286 286 A 39 ALA HA A 40 ARG H 1.0 1.8 4.4 287 287 A 39 ALA HA A 40 ARG HBy 1.0 1.8 5.0 288 288 A 47 TYR H A 39 ALA HA 1.0 1.8 5.0 289 289 A 39 ALA HA A 73 VAL HGx% 1.0 1.8 5.0 290 290 A 39 ALA HA A 78 ILE HA 1.0 1.8 5.0 291 291 A 39 ALA HA A 78 ILE HG1x 1.0 1.8 5.0 292 292 A 39 ALA HA A 78 ILE HG1y 1.0 1.8 4.8 293 293 A 78 ILE HD1% A 39 ALA HA 1.0 1.8 5.3 294 294 A 78 ILE HG2% A 39 ALA HA 1.0 1.8 5.0 295 295 A 79 SER H A 39 ALA HA 1.0 1.8 5.0 296 296 A 39 ALA HB% A 40 ARG H 1.0 1.8 5.0 297 297 A 39 ALA HB% A 47 TYR H 1.0 1.8 5.0 298 298 A 39 ALA HB% A 63 VAL HGx% 1.0 1.8 4.8 299 299 A 63 VAL HGy% A 39 ALA HB% 1.0 1.8 5.0 300 300 A 39 ALA HB% A 65 PHE HD1 1.0 1.8 5.0 301 301 A 39 ALA HB% A 65 PHE HE1 1.0 1.8 4.0 302 302 A 39 ALA HB% A 65 PHE HZ 1.0 1.8 4.2 303 303 A 40 ARG H A 40 ARG HA 1.0 1.8 4.8 304 304 A 40 ARG H A 40 ARG HBy 1.0 1.8 5.0 305 305 A 40 ARG H A 40 ARG HBx 1.0 1.8 5.0 306 306 A 46 LEU HDx% A 40 ARG H 1.0 1.8 5.0 307 307 A 40 ARG H A 73 VAL HGx% 1.0 1.8 5.0 308 308 A 40 ARG H A 77 ASP HBy 1.0 1.8 5.0 309 309 A 40 ARG H A 77 ASP HBx 1.0 1.8 5.0 310 310 A 40 ARG HBy A 40 ARG HA 1.0 1.8 5.0 311 311 A 40 ARG HA A 40 ARG HBx 1.0 1.8 5.0 312 312 A 40 ARG HA A 41 TRP H 1.0 1.8 4.2 313 313 A 46 LEU HBy A 40 ARG HA 1.0 1.8 5.0 314 314 A 46 LEU HDx% A 40 ARG HA 1.0 1.8 5.0 315 315 A 47 TYR H A 40 ARG HA 1.0 1.8 5.0 316 316 A 40 ARG HBy A 41 TRP H 1.0 1.8 5.0 317 317 A 40 ARG HBy A 46 LEU HA 1.0 1.8 5.0 318 318 A 46 LEU HDx% A 40 ARG HBy 1.0 1.8 5.2 319 319 A 40 ARG HBy A 77 ASP HBx 1.0 1.8 5.0 320 320 A 46 LEU HDx% A 40 ARG HBx 1.0 1.8 5.0 321 321 A 40 ARG HBx A 77 ASP HA 1.0 1.8 5.0 322 322 A 40 ARG HBx A 77 ASP HBx 1.0 1.8 5.0 323 323 A 41 TRP H A 40 ARG HGy 1.0 1.8 5.0 324 324 A 41 TRP H A 40 ARG HGx 1.0 1.8 4.7 325 325 A 46 LEU HDx% A 40 ARG HGx 1.0 1.8 5.0 326 326 A 46 LEU HDx% A 40 ARG HDy 1.0 1.8 5.0 327 327 A 41 TRP H A 41 TRP HA 1.0 1.8 5.0 328 328 A 41 TRP H A 41 TRP HBy 1.0 1.8 5.0 329 329 A 41 TRP H A 41 TRP HBx 1.0 1.8 5.0 330 330 A 41 TRP H A 43 ASP H 1.0 1.8 5.0 331 331 A 41 TRP H A 44 GLY H 1.0 1.8 5.2 332 332 A 41 TRP H A 46 LEU HA 1.0 1.8 5.0 333 333 A 46 LEU HDx% A 41 TRP H 1.0 1.8 5.0 334 334 A 41 TRP HA A 41 TRP HBy 1.0 1.8 5.0 335 335 A 41 TRP HA A 41 TRP HE3 1.0 1.8 5.0 336 336 A 41 TRP HA A 42 THR H 1.0 1.8 5.0 337 337 A 41 TRP HA A 43 ASP H 1.0 1.8 4.6 338 338 A 41 TRP HBy A 41 TRP HE3 1.0 1.8 4.8 339 339 A 41 TRP HBy A 47 TYR HD1 1.0 1.8 4.6 340 340 A 41 TRP HBy A 43 ASP H 1.0 1.8 5.3 341 341 A 41 TRP HBy A 41 TRP HBx 1.0 1.8 5.0 342 342 A 41 TRP HBx A 43 ASP H 1.0 1.8 4.8 343 343 A 41 TRP HD1 A 42 THR HG2% 1.0 1.8 4.8 344 344 A 43 ASP H A 41 TRP HD1 1.0 1.8 4.5 345 345 A 41 TRP HBx A 47 TYR HD1 1.0 1.8 4.6 346 346 A 42 THR H A 42 THR HA 1.0 1.8 5.0 347 347 A 42 THR H A 42 THR HG2% 1.0 1.8 5.0 348 348 A 43 ASP H A 42 THR H 1.0 1.8 5.0 349 349 A 44 GLY H A 42 THR HA 1.0 1.8 4.6 350 350 A 42 THR HG2% A 42 THR HA 1.0 1.8 4.6 351 351 A 43 ASP H A 42 THR HA 1.0 1.8 4.8 352 352 A 42 THR HG2% A 42 THR HB 1.0 1.8 5.0 353 353 A 43 ASP H A 42 THR HG2% 1.0 1.8 5.2 354 354 A 43 ASP H A 43 ASP HA 1.0 1.8 5.0 355 355 A 43 ASP H A 43 ASP HBy 1.0 1.8 5.0 356 356 A 43 ASP H A 43 ASP HBx 1.0 1.8 4.6 357 357 A 43 ASP H A 44 GLY H 1.0 1.8 4.2 358 358 A 43 ASP H A 44 GLY HAy 1.0 1.8 5.0 359 359 A 43 ASP H A 45 LEU H 1.0 1.8 4.6 360 360 A 43 ASP HA A 43 ASP HBy 1.0 1.8 4.8 361 361 A 43 ASP HA A 43 ASP HBx 1.0 1.8 4.4 362 362 A 44 GLY H A 43 ASP HA 1.0 1.8 5.0 363 363 A 43 ASP HBy A 45 LEU H 1.0 1.8 5.1 364 364 A 43 ASP HBy A 43 ASP HBx 1.0 1.8 4.0 365 365 A 43 ASP HBx A 45 LEU H 1.0 1.8 4.8 366 366 A 44 GLY H A 44 GLY HAx 1.0 1.8 4.2 367 367 A 44 GLY H A 44 GLY HAy 1.0 1.8 4.6 368 368 A 45 LEU H A 44 GLY HAx 1.0 1.8 5.0 369 369 A 44 GLY HAy A 45 LEU H 1.0 1.8 5.0 370 370 A 45 LEU H A 45 LEU HA 1.0 1.8 4.8 371 371 A 45 LEU H A 45 LEU HBy 1.0 1.8 5.0 372 372 A 45 LEU H A 45 LEU HBx 1.0 1.8 4.6 373 373 A 45 LEU H A 45 LEU HDx% 1.0 1.8 5.0 374 374 A 45 LEU H A 45 LEU HDy% 1.0 1.8 5.0 375 375 A 45 LEU HA A 45 LEU HBy 1.0 1.8 5.0 376 376 A 45 LEU HA A 45 LEU HBx 1.0 1.8 5.0 377 377 A 45 LEU HA A 45 LEU HDx% 1.0 1.8 4.4 378 378 A 45 LEU HA A 45 LEU HDy% 1.0 1.8 3.6 379 379 A 45 LEU HA A 46 LEU H 1.0 1.8 4.2 380 380 A 45 LEU HBy A 45 LEU HDx% 1.0 1.8 4.8 381 381 A 45 LEU HBy A 46 LEU H 1.0 1.8 4.2 382 382 A 46 LEU HA A 45 LEU HBy 1.0 1.8 5.0 383 383 A 47 TYR HD1 A 45 LEU HBy 1.0 1.8 5.0 384 384 A 45 LEU HBy A 45 LEU HBx 1.0 1.8 4.4 385 385 A 45 LEU HBx A 45 LEU HDx% 1.0 1.8 4.8 386 386 A 45 LEU HBx A 46 LEU H 1.0 1.8 5.0 387 387 A 47 TYR HD1 A 45 LEU HBx 1.0 1.8 5.0 388 388 A 45 LEU HDy% A 46 LEU H 1.0 1.8 5.0 389 389 A 46 LEU HA A 46 LEU H 1.0 1.8 5.0 390 390 A 46 LEU HBy A 46 LEU H 1.0 1.8 5.0 391 391 A 46 LEU HBx A 46 LEU H 1.0 1.8 4.6 392 392 A 46 LEU HG A 46 LEU H 1.0 1.8 4.6 393 393 A 46 LEU HDx% A 46 LEU H 1.0 1.8 5.0 394 394 A 47 TYR H A 46 LEU H 1.0 1.8 5.0 395 395 A 46 LEU H B 341 TYR H 1.0 1.8 5.2 396 396 A 46 LEU HBy A 46 LEU HA 1.0 1.8 5.0 397 397 A 46 LEU HBx A 46 LEU HA 1.0 1.8 5.0 398 398 A 46 LEU HG A 46 LEU HA 1.0 1.8 5.0 399 399 A 46 LEU HDx% A 46 LEU HA 1.0 1.8 4.2 400 400 A 47 TYR H A 46 LEU HA 1.0 1.8 4.2 401 401 A 46 LEU HA A 47 TYR HD1 1.0 1.8 5.0 402 402 B 339 HIS HBy A 46 LEU HBy 1.0 1.8 5.0 403 403 A 46 LEU HBy A 46 LEU HBx 1.0 1.9 4.1 404 404 A 46 LEU HDx% A 46 LEU HBy 1.0 1.8 5.0 405 405 A 46 LEU HDy% A 46 LEU HBy 1.0 1.8 5.0 406 406 A 46 LEU HBy A 47 TYR H 1.0 1.8 5.0 407 407 B 339 HIS HBy A 46 LEU HBx 1.0 1.8 4.8 408 408 A 46 LEU HDx% A 46 LEU HBx 1.0 1.8 5.0 409 409 A 46 LEU HDy% A 46 LEU HBx 1.0 1.8 5.0 410 410 A 46 LEU HBx A 47 TYR H 1.0 1.8 5.0 411 411 A 46 LEU HDx% A 46 LEU HG 1.0 1.8 4.2 412 412 A 47 TYR H A 46 LEU HG 1.0 1.8 5.0 413 413 A 46 LEU HDx% B 339 HIS HD2 1.0 1.8 5.0 414 414 A 46 LEU HDx% A 47 TYR H 1.0 1.8 5.0 415 415 A 79 SER HBy A 46 LEU HDx% 1.0 1.8 5.0 416 416 A 46 LEU HDy% B 338 PRO HBy 1.0 1.8 5.1 417 417 A 46 LEU HDy% B 338 PRO HGy 1.0 1.8 5.2 418 418 A 46 LEU HDy% B 339 HIS HBx 1.0 1.8 5.0 419 419 A 46 LEU HDy% B 339 HIS HD2 1.0 1.8 4.6 420 420 A 46 LEU HDy% B 341 TYR H 1.0 1.8 5.2 421 421 A 46 LEU HDy% A 47 TYR H 1.0 1.8 5.0 422 422 A 47 TYR H A 47 TYR HA 1.0 1.8 5.0 423 423 A 47 TYR H A 47 TYR HBy 1.0 1.8 5.0 424 424 A 47 TYR H A 47 TYR HBx 1.0 1.8 5.0 425 425 A 47 TYR H A 47 TYR HD1 1.0 1.8 4.8 426 426 A 47 TYR H A 65 PHE HE1 1.0 1.8 5.0 427 427 A 47 TYR HA A 47 TYR HBy 1.0 1.8 5.0 428 428 A 47 TYR HD1 A 47 TYR HA 1.0 1.8 4.8 429 429 A 48 LEU H A 47 TYR HA 1.0 1.8 4.2 430 430 A 47 TYR HBy A 47 TYR HBx 1.0 1.8 4.0 431 431 A 47 TYR HD1 A 47 TYR HBy 1.0 1.8 4.4 432 432 A 48 LEU H A 47 TYR HBy 1.0 1.8 5.0 433 433 A 65 PHE HD1 A 47 TYR HBy 1.0 1.8 4.4 434 434 A 65 PHE HE1 A 47 TYR HBy 1.0 1.8 4.1 435 435 A 47 TYR HD1 A 47 TYR HBx 1.0 1.8 4.4 436 436 A 48 LEU H A 47 TYR HBx 1.0 1.8 4.7 437 437 A 65 PHE HD1 A 47 TYR HBx 1.0 1.7 4.7 438 438 A 65 PHE HE1 A 47 TYR HBx 1.0 1.7 4.7 439 439 A 47 TYR HD1 B 338 PRO HGy 1.0 1.8 5.0 440 440 A 48 LEU HA A 48 LEU H 1.0 1.8 5.0 441 441 A 48 LEU H A 48 LEU HBy 1.0 1.8 4.8 442 442 A 48 LEU H A 48 LEU HBx 1.0 1.8 4.8 443 443 A 48 LEU HDx% A 48 LEU H 1.0 1.8 5.3 444 444 A 48 LEU HA A 48 LEU HBy 1.0 1.8 5.0 445 445 A 48 LEU HA A 48 LEU HBx 1.0 1.8 5.0 446 446 A 48 LEU HA A 48 LEU HG 1.0 1.8 5.0 447 447 A 48 LEU HDx% A 48 LEU HA 1.0 1.8 3.8 448 448 A 49 GLY H A 48 LEU HA 1.0 1.8 3.6 449 449 A 48 LEU HDx% A 48 LEU HBy 1.0 1.8 3.8 450 450 A 49 GLY H A 48 LEU HBy 1.0 1.8 5.0 451 451 A 48 LEU HBy A 48 LEU HBx 1.0 1.8 4.0 452 452 A 48 LEU HBx A 48 LEU HG 1.0 1.8 4.8 453 453 A 48 LEU HDx% A 48 LEU HBx 1.0 1.8 3.8 454 454 A 49 GLY H A 48 LEU HBx 1.0 1.8 5.0 455 455 A 49 GLY H A 48 LEU HG 1.0 1.8 5.0 456 456 A 48 LEU HDx% A 49 GLY H 1.0 1.8 4.2 457 457 A 48 LEU HDx% A 81 ALA HB% 1.0 1.8 4.2 458 458 A 48 LEU HDx% B 338 PRO HGy 1.0 1.8 5.0 459 459 A 49 GLY H A 49 GLY HAx 1.0 1.8 4.8 460 460 A 49 GLY H A 49 GLY HAy 1.0 1.8 5.0 461 461 A 49 GLY H A 50 THR H 1.0 1.8 5.0 462 462 A 49 GLY H A 63 VAL HGy% 1.0 1.8 5.0 463 463 A 49 GLY H A 65 PHE HE1 1.0 1.8 5.0 464 464 A 50 THR H A 49 GLY HAx 1.0 1.8 4.4 465 465 A 63 VAL HGy% A 49 GLY HAx 1.0 1.8 4.6 466 466 A 49 GLY HAx A 64 GLN H 1.0 1.8 5.0 467 467 A 49 GLY HAx A 65 PHE HA 1.0 1.8 5.0 468 468 A 49 GLY HAx A 65 PHE HD1 1.0 1.8 5.0 469 469 A 49 GLY HAx A 65 PHE HE1 1.0 1.8 5.0 470 470 A 49 GLY HAx A 66 GLU H 1.0 1.8 5.0 471 471 A 49 GLY HAx A 49 GLY HAy 1.0 1.8 4.0 472 472 A 50 THR H A 49 GLY HAy 1.0 1.8 4.6 473 473 A 63 VAL HGy% A 49 GLY HAy 1.0 1.8 5.0 474 474 A 49 GLY HAy A 65 PHE HE1 1.0 1.8 5.0 475 475 A 50 THR HA A 50 THR H 1.0 1.8 5.0 476 476 A 50 THR H A 50 THR HB 1.0 1.8 4.6 477 477 A 50 THR HG2% A 50 THR H 1.0 1.8 5.0 478 478 A 50 THR H A 63 VAL HGy% 1.0 1.8 4.8 479 479 A 50 THR H A 64 GLN H 1.0 1.8 4.4 480 480 A 50 THR H A 64 GLN HBx 1.0 1.8 5.0 481 481 A 50 THR H A 65 PHE HA 1.0 1.8 5.0 482 482 A 50 THR HA A 50 THR HB 1.0 1.8 5.0 483 483 A 50 THR HA A 50 THR HG2% 1.0 1.8 4.2 484 484 A 50 THR HA A 51 ILE H 1.0 1.8 3.8 485 485 A 51 ILE HB A 50 THR HA 1.0 1.8 5.0 486 486 A 51 ILE H A 50 THR HB 1.0 1.8 5.0 487 487 A 50 THR HB A 64 GLN HBx 1.0 1.8 5.0 488 488 A 50 THR HG2% A 50 THR HB 1.0 1.8 4.8 489 489 A 50 THR HG2% A 51 ILE H 1.0 1.8 4.4 490 490 A 51 ILE H A 51 ILE HA 1.0 1.8 5.0 491 491 A 51 ILE HB A 51 ILE H 1.0 1.8 4.0 492 492 A 51 ILE H A 51 ILE HG1x 1.0 1.8 4.6 493 493 A 51 ILE HG1y A 51 ILE H 1.0 1.8 4.2 494 494 A 51 ILE HD1% A 51 ILE H 1.0 1.8 5.0 495 495 A 51 ILE HG2% A 51 ILE H 1.0 1.8 5.0 496 496 A 51 ILE HB A 51 ILE HA 1.0 1.8 5.0 497 497 A 51 ILE HG1x A 51 ILE HA 1.0 1.8 5.0 498 498 A 51 ILE HG1y A 51 ILE HA 1.0 1.8 4.4 499 499 A 51 ILE HD1% A 51 ILE HA 1.0 1.8 4.8 500 500 A 51 ILE HG2% A 51 ILE HA 1.0 1.8 4.6 501 501 A 51 ILE HA A 52 LYS H 1.0 1.8 3.8 502 502 A 51 ILE HA A 53 LYS H 1.0 1.8 5.0 503 503 A 63 VAL HGy% A 51 ILE HA 1.0 1.8 5.0 504 504 A 51 ILE HB A 51 ILE HG1x 1.0 1.8 5.0 505 505 A 51 ILE HG1y A 51 ILE HB 1.0 1.8 4.8 506 506 A 51 ILE HD1% A 51 ILE HB 1.0 1.8 5.0 507 507 A 51 ILE HG2% A 51 ILE HB 1.0 1.8 4.6 508 508 A 51 ILE HB A 52 LYS H 1.0 1.8 5.0 509 509 A 51 ILE HD1% A 51 ILE HG1x 1.0 1.8 4.2 510 510 A 51 ILE HG1x A 61 CYS HBx 1.0 1.8 5.0 511 511 A 51 ILE HG1y A 51 ILE HG1x 1.0 1.8 4.0 512 512 A 51 ILE HD1% A 52 LYS H 1.0 1.8 5.0 513 513 A 51 ILE HD1% A 53 LYS H 1.0 1.8 5.0 514 514 A 51 ILE HD1% A 61 CYS HBy 1.0 1.8 5.0 515 515 A 51 ILE HD1% A 61 CYS HBx 1.0 1.8 5.0 516 516 A 51 ILE HD1% A 62 LEU H 1.0 1.8 5.0 517 517 A 51 ILE HD1% A 62 LEU HA 1.0 1.8 5.6 518 518 A 51 ILE HD1% A 63 VAL HGy% 1.0 1.8 5.0 519 519 A 51 ILE HG2% A 51 ILE HG1x 1.0 1.8 5.0 520 520 A 51 ILE HG2% A 52 LYS H 1.0 1.8 4.4 521 521 A 51 ILE HG2% A 52 LYS HA 1.0 1.8 5.0 522 522 A 51 ILE HG2% A 53 LYS H 1.0 1.8 4.2 523 523 A 51 ILE HG2% A 53 LYS HA 1.0 1.8 5.0 524 524 A 51 ILE HG2% A 54 VAL H 1.0 1.8 5.0 525 525 A 51 ILE HG2% A 54 VAL HA 1.0 1.8 5.0 526 526 A 51 ILE HG2% A 61 CYS HA 1.0 1.8 5.0 527 527 A 51 ILE HG2% A 61 CYS HBx 1.0 1.8 5.0 528 528 A 51 ILE HG2% A 62 LEU H 1.0 1.8 5.0 529 529 A 52 LYS H A 52 LYS HA 1.0 1.8 5.0 530 530 A 52 LYS H A 52 LYS HBy 1.0 1.8 4.6 531 531 A 52 LYS H A 52 LYS HBx 1.0 1.8 4.6 532 532 A 52 LYS H A 52 LYS HGy 1.0 1.8 4.4 533 533 A 52 LYS H A 53 LYS H 1.0 1.8 4.2 534 534 A 63 VAL HA A 52 LYS H 1.0 1.8 4.8 535 535 A 63 VAL HGx% A 52 LYS H 1.0 1.8 5.0 536 536 A 63 VAL HGy% A 52 LYS H 1.0 1.8 5.4 537 537 A 64 GLN H A 52 LYS H 1.0 1.8 5.0 538 538 A 52 LYS HA A 52 LYS HBy 1.0 1.8 4.6 539 539 A 52 LYS HA A 52 LYS HBx 1.0 1.8 4.8 540 540 A 53 LYS H A 52 LYS HA 1.0 1.8 5.0 541 541 A 64 GLN H A 52 LYS HA 1.0 1.8 5.0 542 542 A 53 LYS H A 52 LYS HBy 1.0 1.8 4.8 543 543 A 53 LYS H A 52 LYS HBx 1.0 1.8 5.0 544 544 A 52 LYS HGy A 70 GLN HE2x 1.0 1.8 5.0 545 545 A 52 LYS HGy A 70 GLN HE2y 1.0 1.8 5.0 546 546 A 53 LYS H A 53 LYS HA 1.0 1.8 5.0 547 547 A 53 LYS H A 53 LYS HBy 1.0 1.8 4.6 548 548 A 53 LYS H A 53 LYS HEy 1.0 1.8 5.0 549 549 A 54 VAL H A 53 LYS H 1.0 1.8 5.0 550 550 A 53 LYS H A 61 CYS HA 1.0 1.8 5.0 551 551 A 53 LYS H A 62 LEU H 1.0 1.8 5.0 552 552 A 53 LYS H A 62 LEU HBy 1.0 1.8 4.4 553 553 A 53 LYS H A 62 LEU HBx 1.0 1.8 4.4 554 554 A 53 LYS HA A 53 LYS HBy 1.0 1.8 5.0 555 555 A 53 LYS HA A 53 LYS HDy 1.0 1.8 5.0 556 556 A 53 LYS HA A 53 LYS HGy 1.0 1.8 5.0 557 557 A 54 VAL H A 53 LYS HA 1.0 1.8 3.6 558 558 A 54 VAL HGy% A 53 LYS HA 1.0 1.8 5.0 559 559 A 53 LYS HBy A 53 LYS HGy 1.0 1.8 4.6 560 560 A 54 VAL H A 53 LYS HBy 1.0 1.8 4.8 561 561 A 62 LEU H A 53 LYS HBy 1.0 1.8 5.0 562 562 A 53 LYS HEy A 53 LYS HDy 1.0 1.8 4.6 563 563 A 54 VAL H A 53 LYS HEy 1.0 1.8 5.0 564 564 A 53 LYS HEy A 53 LYS HGy 1.0 1.8 5.0 565 565 A 54 VAL H A 53 LYS HGy 1.0 1.8 5.0 566 566 A 54 VAL H A 54 VAL HA 1.0 1.8 5.0 567 567 A 54 VAL H A 54 VAL HB 1.0 1.8 4.2 568 568 A 54 VAL HGx% A 54 VAL H 1.0 1.8 5.0 569 569 A 54 VAL HGy% A 54 VAL H 1.0 1.8 4.4 570 570 A 54 VAL H A 55 ASP H 1.0 1.8 5.0 571 571 A 54 VAL H A 62 LEU H 1.0 1.8 5.0 572 572 A 54 VAL H A 62 LEU HBx 1.0 1.8 5.0 573 573 A 54 VAL HA A 54 VAL HB 1.0 1.8 5.0 574 574 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 5.0 575 575 A 54 VAL HGy% A 54 VAL HA 1.0 1.8 4.2 576 576 A 54 VAL HA A 55 ASP H 1.0 1.8 4.0 577 577 A 75 TRP HE1 A 54 VAL HA 1.0 1.8 5.0 578 578 A 54 VAL HGx% A 54 VAL HB 1.0 1.8 4.4 579 579 A 54 VAL HGy% A 54 VAL HB 1.0 1.8 4.4 580 580 A 54 VAL HGx% A 55 ASP H 1.0 1.8 4.6 581 581 A 54 VAL HGx% A 56 SER HBy 1.0 1.8 5.0 582 582 A 54 VAL HGx% A 61 CYS HA 1.0 1.8 5.0 583 583 A 75 TRP HE1 A 54 VAL HGx% 1.0 1.8 4.8 584 584 A 54 VAL HGx% A 75 TRP HH2 1.0 1.8 4.6 585 585 A 54 VAL HGx% A 75 TRP HZ2 1.0 1.8 4.6 586 586 A 54 VAL HGy% A 55 ASP H 1.0 1.8 5.0 587 587 A 54 VAL HGy% A 61 CYS HA 1.0 1.8 5.0 588 588 A 55 ASP H A 55 ASP HA 1.0 1.8 5.0 589 589 A 55 ASP H A 55 ASP HBy 1.0 1.8 5.0 590 590 A 55 ASP H A 55 ASP HBx 1.0 1.8 4.8 591 591 A 55 ASP H A 60 VAL H 1.0 1.8 5.0 592 592 A 61 CYS HA A 55 ASP H 1.0 1.8 4.8 593 593 A 75 TRP HE1 A 55 ASP H 1.0 1.8 5.0 594 594 A 55 ASP HA A 55 ASP HBx 1.0 1.8 5.0 595 595 A 55 ASP HA A 56 SER H 1.0 1.8 4.4 596 596 A 55 ASP HA A 57 ALA H 1.0 1.8 5.0 597 597 A 55 ASP HBy A 55 ASP HBx 1.0 1.8 4.2 598 598 A 55 ASP HBy A 60 VAL HGx% 1.0 1.8 5.4 599 599 A 55 ASP HBx A 60 VAL H 1.0 1.8 5.0 600 600 A 55 ASP HBx A 60 VAL HB 1.0 1.8 5.0 601 601 A 55 ASP HBx A 60 VAL HGx% 1.0 1.8 4.4 602 602 A 56 SER H A 56 SER HA 1.0 1.8 5.0 603 603 A 56 SER HBy A 56 SER H 1.0 1.8 5.0 604 604 A 56 SER H A 57 ALA H 1.0 1.8 5.0 605 605 A 56 SER H A 57 ALA HA 1.0 1.8 5.3 606 606 A 75 TRP HH2 A 56 SER H 1.0 1.8 5.0 607 607 A 57 ALA H A 56 SER HA 1.0 1.8 5.0 608 608 A 75 TRP HH2 A 56 SER HA 1.0 1.8 4.8 609 609 A 75 TRP HZ2 A 56 SER HA 1.0 1.8 5.0 610 610 A 56 SER HBy A 75 TRP HH2 1.0 1.8 5.0 611 611 A 56 SER HBy A 75 TRP HZ2 1.0 1.8 5.0 612 612 A 57 ALA H A 57 ALA HA 1.0 1.8 4.6 613 613 A 57 ALA H A 57 ALA HB% 1.0 1.8 3.6 614 614 A 57 ALA H A 58 ARG H 1.0 1.8 4.2 615 615 A 57 ALA H A 59 GLU H 1.0 1.8 5.0 616 616 A 57 ALA HA A 58 ARG H 1.0 1.8 5.0 617 617 A 57 ALA HA A 57 ALA HB% 1.0 1.9 4.1 618 618 A 57 ALA HB% A 58 ARG H 1.0 1.8 4.2 619 619 A 58 ARG H A 58 ARG HA 1.0 1.8 5.0 620 620 A 58 ARG H A 58 ARG HBy 1.0 1.8 4.4 621 621 A 58 ARG H A 58 ARG HBx 1.0 1.8 5.0 622 622 A 58 ARG H A 58 ARG HDy 1.0 1.8 5.0 623 623 A 58 ARG H A 59 GLU HGy 1.0 1.8 5.0 624 624 A 58 ARG HA A 58 ARG HBy 1.0 1.8 5.0 625 625 A 58 ARG HA A 58 ARG HBx 1.0 1.8 5.0 626 626 A 58 ARG HA A 58 ARG HDy 1.0 1.8 5.0 627 627 A 59 GLU H A 58 ARG HA 1.0 1.8 5.0 628 628 A 58 ARG HBy A 58 ARG HDy 1.0 1.8 5.0 629 629 A 59 GLU H A 59 GLU HA 1.0 1.8 4.4 630 630 A 59 GLU H A 59 GLU HBx 1.0 1.8 5.0 631 631 A 59 GLU H A 59 GLU HGx 1.0 1.8 5.0 632 632 A 59 GLU H A 59 GLU HGy 1.0 1.8 5.0 633 633 A 60 VAL H A 59 GLU H 1.0 1.8 5.0 634 634 A 59 GLU HA A 59 GLU HBx 1.0 1.8 5.0 635 635 A 59 GLU HA A 59 GLU HBy 1.0 1.8 5.0 636 636 A 59 GLU HGy A 59 GLU HA 1.0 1.8 5.0 637 637 A 60 VAL H A 59 GLU HA 1.0 1.8 4.8 638 638 A 75 TRP HD1 A 59 GLU HA 1.0 1.8 4.4 639 639 A 75 TRP HE1 A 59 GLU HA 1.0 1.8 5.0 640 640 A 59 GLU HGy A 59 GLU HBx 1.0 1.8 5.0 641 641 A 60 VAL H A 59 GLU HBx 1.0 1.8 5.0 642 642 A 75 TRP HD1 A 59 GLU HBx 1.0 1.8 5.0 643 643 A 59 GLU HGx A 59 GLU HBy 1.0 1.8 5.0 644 644 A 59 GLU HGy A 59 GLU HBy 1.0 1.8 5.0 645 645 A 59 GLU HGy A 59 GLU HGx 1.0 1.8 4.4 646 646 A 60 VAL H A 60 VAL HA 1.0 1.8 5.0 647 647 A 60 VAL H A 60 VAL HB 1.0 1.8 5.0 648 648 A 60 VAL H A 60 VAL HGx% 1.0 1.8 4.8 649 649 A 75 TRP HE1 A 60 VAL H 1.0 1.8 5.0 650 650 A 60 VAL HB A 60 VAL HA 1.0 1.8 4.8 651 651 A 60 VAL HGx% A 60 VAL HA 1.0 1.8 4.0 652 652 A 60 VAL HA A 61 CYS H 1.0 1.8 4.0 653 653 A 60 VAL HA A 74 LEU HDx% 1.0 1.8 5.0 654 654 A 60 VAL HA A 75 TRP H 1.0 1.8 4.4 655 655 A 75 TRP HD1 A 60 VAL HA 1.0 1.8 5.0 656 656 A 78 ILE HD1% A 60 VAL HA 1.0 1.8 5.0 657 657 A 60 VAL HB A 61 CYS H 1.0 1.8 4.2 658 658 A 60 VAL HB A 74 LEU HA 1.0 1.8 5.0 659 659 A 60 VAL HB A 74 LEU HDx% 1.0 1.8 5.0 660 660 A 75 TRP HD1 A 60 VAL HB 1.0 1.8 5.0 661 661 A 60 VAL HGx% A 60 VAL HB 1.0 1.8 3.8 662 662 A 60 VAL HGx% A 61 CYS H 1.0 1.8 4.6 663 663 A 61 CYS HA A 60 VAL HGx% 1.0 1.8 5.0 664 664 A 60 VAL HGx% A 73 VAL H 1.0 1.8 4.6 665 665 A 60 VAL HGx% A 73 VAL HA 1.0 1.8 5.0 666 666 A 60 VAL HGx% A 74 LEU H 1.0 1.8 5.0 667 667 A 60 VAL HGx% A 74 LEU HA 1.0 1.8 5.0 668 668 A 60 VAL HGx% A 75 TRP H 1.0 1.8 5.0 669 669 A 75 TRP HD1 A 60 VAL HGx% 1.0 1.8 5.0 670 670 A 61 CYS HA A 61 CYS H 1.0 1.8 5.0 671 671 A 61 CYS HBy A 61 CYS H 1.0 1.8 5.0 672 672 A 61 CYS HBx A 61 CYS H 1.0 1.8 5.0 673 673 A 61 CYS H A 75 TRP H 1.0 1.8 5.0 674 674 A 75 TRP HD1 A 61 CYS H 1.0 1.8 5.0 675 675 A 78 ILE HD1% A 61 CYS H 1.0 1.8 5.0 676 676 A 61 CYS HBy A 61 CYS HA 1.0 1.8 4.8 677 677 A 61 CYS HBx A 61 CYS HA 1.0 1.8 5.0 678 678 A 62 LEU H A 61 CYS HA 1.0 1.8 4.0 679 679 A 61 CYS HBy A 62 LEU H 1.0 1.8 5.0 680 680 A 63 VAL HGx% A 61 CYS HBy 1.0 1.8 5.0 681 681 A 75 TRP HD1 A 61 CYS HBy 1.0 1.8 5.0 682 682 A 78 ILE HD1% A 61 CYS HBy 1.0 1.8 4.6 683 683 A 61 CYS HBx A 61 CYS HBy 1.0 1.8 3.8 684 684 A 61 CYS HBx A 62 LEU H 1.0 1.8 5.0 685 685 A 63 VAL HGx% A 61 CYS HBx 1.0 1.7 4.7 686 686 A 78 ILE HD1% A 61 CYS HBx 1.0 1.8 5.0 687 687 A 62 LEU H A 62 LEU HA 1.0 1.8 5.0 688 688 A 62 LEU H A 62 LEU HBy 1.0 1.8 4.8 689 689 A 62 LEU H A 62 LEU HBx 1.0 1.8 4.6 690 690 A 62 LEU HA A 62 LEU HBy 1.0 1.8 5.0 691 691 A 62 LEU HA A 62 LEU HBx 1.0 1.8 5.0 692 692 A 62 LEU HA A 62 LEU HDx% 1.0 1.8 4.6 693 693 A 62 LEU HA A 63 VAL H 1.0 1.8 4.0 694 694 A 63 VAL HGx% A 62 LEU HA 1.0 1.8 5.0 695 695 A 62 LEU HA A 72 LEU HA 1.0 1.8 5.0 696 696 A 62 LEU HBy A 62 LEU HDx% 1.0 1.8 4.4 697 697 A 62 LEU HBy A 63 VAL H 1.0 1.8 5.0 698 698 A 62 LEU HBy A 72 LEU HA 1.0 1.8 5.0 699 699 A 62 LEU HDx% A 63 VAL H 1.0 1.8 4.6 700 700 A 62 LEU HDx% A 64 GLN HA 1.0 1.8 5.0 701 701 A 62 LEU HDx% A 70 GLN HA 1.0 1.8 5.0 702 702 A 62 LEU HDx% A 70 GLN HBy 1.0 1.8 5.0 703 703 A 62 LEU HDx% A 70 GLN HGx 1.0 1.8 5.0 704 704 A 62 LEU HDx% A 70 GLN HGy 1.0 1.8 5.0 705 705 A 62 LEU HDx% A 71 PHE H 1.0 1.8 5.0 706 706 A 62 LEU HDx% A 71 PHE HA 1.0 1.8 5.0 707 707 A 62 LEU HDx% A 72 LEU H 1.0 1.8 5.0 708 708 A 73 VAL H A 62 LEU HDx% 1.0 1.8 5.0 709 709 A 63 VAL HA A 63 VAL H 1.0 1.8 5.0 710 710 A 63 VAL H A 63 VAL HB 1.0 1.8 4.2 711 711 A 63 VAL HGx% A 63 VAL H 1.0 1.8 4.4 712 712 A 63 VAL HGy% A 63 VAL H 1.0 1.8 5.0 713 713 A 64 GLN H A 63 VAL H 1.0 1.8 4.8 714 714 A 63 VAL H A 70 GLN HA 1.0 1.8 5.0 715 715 A 63 VAL H A 71 PHE H 1.0 1.8 4.6 716 716 A 63 VAL H A 72 LEU HA 1.0 1.8 5.0 717 717 A 63 VAL H A 73 VAL HGy% 1.0 1.8 5.0 718 718 A 63 VAL HA A 63 VAL HGx% 1.0 1.8 4.2 719 719 A 63 VAL HGy% A 63 VAL HA 1.0 1.8 4.4 720 720 A 63 VAL HA A 64 GLN H 1.0 1.8 3.8 721 721 A 63 VAL HA A 64 GLN HBy 1.0 1.8 5.0 722 722 A 63 VAL HGx% A 63 VAL HB 1.0 1.8 4.4 723 723 A 63 VAL HGy% A 63 VAL HB 1.0 1.8 4.6 724 724 A 64 GLN H A 63 VAL HB 1.0 1.8 5.0 725 725 A 65 PHE HE1 A 63 VAL HB 1.0 1.8 5.3 726 725 A 63 VAL HB A 65 PHE HEy 1.0 1.8 5.3 727 726 A 65 PHE HZ A 63 VAL HB 1.0 1.8 5.3 728 727 A 63 VAL HB A 73 VAL HGy% 1.0 1.8 5.2 729 728 A 63 VAL HGx% A 64 GLN H 1.0 1.8 5.0 730 729 A 63 VAL HGx% A 73 VAL H 1.0 1.8 5.0 731 730 A 63 VAL HGx% A 73 VAL HB 1.0 1.8 4.6 732 731 A 63 VAL HGx% A 73 VAL HGy% 1.0 1.8 5.4 733 732 A 63 VAL HGy% A 63 VAL HGx% 1.0 1.8 4.2 734 733 A 63 VAL HGy% A 64 GLN H 1.0 1.8 4.6 735 734 A 63 VAL HGy% A 64 GLN HA 1.0 1.8 5.0 736 735 A 63 VAL HGy% A 65 PHE HA 1.0 1.8 5.0 737 736 A 63 VAL HGy% A 65 PHE HD1 1.0 1.8 5.0 738 737 A 63 VAL HGy% A 65 PHE HE1 1.0 1.8 4.6 739 738 A 63 VAL HGy% A 65 PHE HZ 1.0 1.8 4.8 740 739 A 63 VAL HGy% A 71 PHE H 1.0 1.8 5.0 741 740 A 63 VAL HGy% A 73 VAL HGy% 1.0 1.8 5.4 742 741 A 64 GLN H A 64 GLN HA 1.0 1.8 5.0 743 742 A 64 GLN H A 64 GLN HBy 1.0 1.8 5.0 744 743 A 64 GLN H A 64 GLN HBx 1.0 1.8 4.8 745 744 A 64 GLN H A 65 PHE H 1.0 1.8 5.0 746 745 A 64 GLN HA A 64 GLN HBy 1.0 1.8 5.0 747 746 A 64 GLN HBx A 64 GLN HA 1.0 1.8 5.0 748 747 A 64 GLN HA A 64 GLN HGy 1.0 1.8 5.0 749 748 A 64 GLN HA A 64 GLN HGx 1.0 1.8 5.0 750 749 A 64 GLN HA A 65 PHE H 1.0 1.8 4.0 751 750 A 64 GLN HA A 70 GLN HA 1.0 1.8 4.4 752 751 A 64 GLN HA A 70 GLN HGx 1.0 1.8 5.0 753 752 A 64 GLN HA A 70 GLN HGy 1.0 1.8 5.0 754 753 A 64 GLN HA A 71 PHE H 1.0 1.8 5.0 755 754 A 64 GLN HBy A 64 GLN HGx 1.0 1.8 5.0 756 755 A 64 GLN HBy A 65 PHE H 1.0 1.8 5.0 757 756 A 64 GLN HBx A 64 GLN HGx 1.0 1.8 5.0 758 757 A 64 GLN HE2y A 68 ASP HA 1.0 1.8 5.0 759 758 A 64 GLN HE2y A 68 ASP HBy 1.0 1.8 5.0 760 759 A 64 GLN HGy A 64 GLN HE2y 1.0 1.8 5.0 761 760 A 64 GLN HGy A 64 GLN HE2x 1.0 1.8 5.0 762 761 A 64 GLN HGy A 64 GLN HGx 1.0 1.8 3.8 763 762 A 65 PHE H A 64 GLN HGy 1.0 1.8 5.0 764 763 A 64 GLN HGy A 68 ASP H 1.0 1.8 5.0 765 764 A 64 GLN HGy A 68 ASP HA 1.0 1.8 5.0 766 765 A 70 GLN HA A 64 GLN HGy 1.0 1.8 5.0 767 766 A 70 GLN HE2y A 64 GLN HGy 1.0 1.8 5.0 768 767 A 64 GLN HGx A 64 GLN HE2y 1.0 1.8 4.8 769 768 A 65 PHE H A 64 GLN HGx 1.0 1.8 5.0 770 769 A 64 GLN HGx A 68 ASP H 1.0 1.8 5.0 771 770 A 64 GLN HGx A 68 ASP HA 1.0 1.8 5.0 772 771 A 70 GLN HGy A 64 GLN HGx 1.0 1.8 5.0 773 772 A 65 PHE HA A 65 PHE H 1.0 1.8 5.0 774 773 A 65 PHE H A 65 PHE HBy 1.0 1.8 4.6 775 774 A 65 PHE H A 65 PHE HBx 1.0 1.8 5.0 776 775 A 65 PHE HD1 A 65 PHE H 1.0 1.8 4.9 777 776 A 66 GLU H A 65 PHE H 1.0 1.8 5.0 778 777 A 65 PHE H A 69 SER H 1.0 1.8 5.0 779 778 A 70 GLN HA A 65 PHE H 1.0 1.8 5.0 780 779 A 70 GLN HGy A 65 PHE H 1.0 1.8 5.0 781 780 A 65 PHE HA A 65 PHE HBy 1.0 1.8 5.0 782 781 A 65 PHE HA A 65 PHE HBx 1.0 1.8 5.0 783 782 A 65 PHE HD1 A 65 PHE HA 1.0 1.8 4.4 784 783 A 65 PHE HA A 66 GLU H 1.0 1.8 5.0 785 784 A 65 PHE HA A 67 ASP H 1.0 1.8 5.0 786 785 A 65 PHE HA A 68 ASP H 1.0 1.8 5.2 787 786 A 65 PHE HD1 A 65 PHE HBy 1.0 1.8 4.2 788 787 A 66 GLU H A 65 PHE HBy 1.0 1.8 5.0 789 788 A 65 PHE HBy A 67 ASP H 1.0 1.8 5.0 790 789 A 68 ASP H A 65 PHE HBy 1.0 1.8 5.0 791 790 A 65 PHE HBy A 69 SER H 1.0 1.8 5.0 792 791 A 65 PHE HBy A 65 PHE HBx 1.0 1.8 4.4 793 792 A 65 PHE HD1 A 65 PHE HBx 1.0 1.8 4.2 794 793 A 66 GLU H A 65 PHE HBx 1.0 1.8 4.8 795 794 A 65 PHE HBx A 67 ASP H 1.0 1.8 5.0 796 795 A 65 PHE HBx A 69 SER H 1.0 1.8 5.0 797 796 A 65 PHE HD1 A 65 PHE HZ 1.0 1.8 4.8 798 797 A 65 PHE HD1 A 66 GLU H 1.0 1.8 5.0 799 798 A 65 PHE HD1 A 69 SER HBy 1.0 1.8 5.1 800 799 A 65 PHE HE1 A 65 PHE HD1 1.0 1.8 3.2 801 800 A 65 PHE HE1 A 71 PHE HBy 1.0 1.8 3.5 802 800 A 71 PHE HBy A 65 PHE HEy 1.0 1.8 3.5 803 801 A 65 PHE HE1 A 71 PHE HBx 1.0 1.8 4.5 804 801 A 71 PHE HBx A 65 PHE HEy 1.0 1.8 4.5 805 802 A 65 PHE HE1 A 73 VAL HGy% 1.0 1.8 5.0 806 803 A 65 PHE HE1 A 65 PHE HZ 1.0 1.8 3.6 807 804 A 65 PHE HZ A 73 VAL HGy% 1.0 1.8 4.6 808 805 A 66 GLU H A 66 GLU HA 1.0 1.8 5.0 809 806 A 66 GLU H A 66 GLU HBy 1.0 1.8 4.8 810 807 A 66 GLU H A 66 GLU HBx 1.0 1.8 5.0 811 808 A 66 GLU H A 66 GLU HGy 1.0 1.8 5.0 812 809 A 66 GLU H A 66 GLU HGx 1.0 1.8 5.0 813 810 A 66 GLU H A 67 ASP H 1.0 1.8 4.8 814 811 A 66 GLU HA B 337 LYS HDy 1.0 1.8 5.0 815 812 A 66 GLU HA A 66 GLU HBy 1.0 1.8 5.0 816 813 A 66 GLU HA A 66 GLU HGy 1.0 1.7 4.7 817 814 A 66 GLU HA A 66 GLU HGx 1.0 1.8 5.0 818 815 A 67 ASP H A 66 GLU HA 1.0 1.8 5.0 819 816 A 66 GLU HBy A 66 GLU HGx 1.0 1.8 4.6 820 817 A 67 ASP H A 66 GLU HBy 1.0 1.8 5.0 821 818 A 66 GLU HGy A 66 GLU HGx 1.0 1.8 4.2 822 819 A 67 ASP H A 66 GLU HGy 1.0 1.8 5.0 823 820 A 66 GLU HGx B 337 LYS HDy 1.0 1.8 5.0 824 821 A 67 ASP H A 66 GLU HGx 1.0 1.8 5.0 825 822 A 67 ASP H A 67 ASP HA 1.0 1.8 4.6 826 823 A 67 ASP H A 67 ASP HBy 1.0 1.8 4.8 827 824 A 67 ASP H A 67 ASP HBx 1.0 1.8 5.0 828 825 A 68 ASP H A 67 ASP H 1.0 1.8 4.2 829 826 A 67 ASP HA A 67 ASP HBy 1.0 1.8 4.8 830 827 A 67 ASP HBy A 67 ASP HBx 1.0 1.8 4.0 831 828 A 68 ASP H A 67 ASP HBy 1.0 1.8 5.0 832 829 A 68 ASP H A 67 ASP HBx 1.0 1.8 5.0 833 830 A 68 ASP HA A 68 ASP H 1.0 1.8 4.0 834 831 A 68 ASP HBy A 68 ASP H 1.0 1.8 5.0 835 832 A 68 ASP H A 68 ASP HBx 1.0 1.8 5.0 836 833 A 68 ASP HA A 68 ASP HBy 1.0 1.8 5.0 837 834 A 68 ASP HA A 68 ASP HBx 1.0 1.8 5.0 838 835 A 68 ASP HA A 69 SER H 1.0 1.8 5.0 839 836 A 69 SER H A 68 ASP HBx 1.0 1.8 5.0 840 837 A 69 SER H A 69 SER HA 1.0 1.8 4.4 841 838 A 69 SER H A 69 SER HBy 1.0 1.8 4.4 842 839 A 69 SER HBy A 69 SER HA 1.0 1.8 4.4 843 840 A 69 SER HA A 70 GLN H 1.0 1.8 4.0 844 841 A 69 SER HBy A 70 GLN H 1.0 1.8 4.6 845 842 A 69 SER HBy A 71 PHE HD1 1.0 1.8 4.6 846 843 A 69 SER HBy A 71 PHE HDy 1.0 1.8 4.6 847 844 A 70 GLN HA A 70 GLN H 1.0 1.8 5.0 848 845 A 70 GLN HBy A 70 GLN H 1.0 1.8 4.6 849 846 A 70 GLN H A 70 GLN HBx 1.0 1.8 4.8 850 847 A 70 GLN HGx A 70 GLN H 1.0 1.8 5.0 851 848 A 70 GLN HA A 70 GLN HBy 1.0 1.8 5.0 852 849 A 70 GLN HA A 70 GLN HBx 1.0 1.8 5.0 853 850 A 70 GLN HA A 70 GLN HGx 1.0 1.8 5.0 854 851 A 70 GLN HA A 70 GLN HGy 1.0 1.8 5.0 855 852 A 70 GLN HA A 71 PHE H 1.0 1.8 3.8 856 853 A 70 GLN HA A 71 PHE HD1 1.0 1.8 5.0 857 854 A 70 GLN HBy A 71 PHE H 1.0 1.8 5.0 858 855 A 70 GLN HE2x A 70 GLN HE2y 1.0 1.8 3.0 859 856 A 70 GLN HE2x A 70 GLN HGx 1.0 1.8 5.0 860 857 A 70 GLN HE2y A 70 GLN HGx 1.0 1.8 5.0 861 858 A 70 GLN HE2x A 70 GLN HGy 1.0 1.8 5.0 862 859 A 70 GLN HE2y A 70 GLN HGy 1.0 1.8 5.0 863 860 A 70 GLN HGx A 70 GLN HGy 1.0 1.8 4.0 864 861 A 71 PHE H A 71 PHE HA 1.0 1.8 5.0 865 862 A 71 PHE H A 71 PHE HBy 1.0 1.8 5.0 866 863 A 71 PHE H A 71 PHE HBx 1.0 1.8 4.2 867 864 A 71 PHE H A 71 PHE HD1 1.0 1.8 5.0 868 865 A 71 PHE HA A 71 PHE HBy 1.0 1.8 5.0 869 866 A 71 PHE HA A 71 PHE HBx 1.0 1.8 5.0 870 867 A 71 PHE HA A 71 PHE HD1 1.0 1.8 5.0 871 868 A 71 PHE HA A 72 LEU H 1.0 1.8 4.2 872 869 A 71 PHE HBy A 71 PHE HD1 1.0 1.8 4.2 873 870 A 72 LEU H A 71 PHE HBy 1.0 1.8 5.0 874 871 A 73 VAL HGy% A 71 PHE HBy 1.0 1.8 5.0 875 872 A 71 PHE HBy A 71 PHE HBx 1.0 1.8 4.4 876 873 A 71 PHE HBx A 71 PHE HD1 1.0 1.8 4.2 877 874 A 72 LEU H A 71 PHE HBx 1.0 1.8 4.8 878 875 A 73 VAL HGy% A 71 PHE HBx 1.0 1.8 5.0 879 876 A 72 LEU H A 71 PHE HD1 1.0 1.8 5.0 880 877 A 72 LEU HA A 72 LEU H 1.0 1.8 5.0 881 878 A 72 LEU H A 72 LEU HBy 1.0 1.8 5.0 882 879 A 72 LEU H A 72 LEU HBx 1.0 1.8 4.4 883 880 A 72 LEU H A 72 LEU HG 1.0 1.8 4.6 884 881 A 72 LEU H A 72 LEU HDy% 1.0 1.8 5.0 885 882 A 73 VAL H A 72 LEU H 1.0 1.8 5.0 886 883 A 72 LEU HA A 72 LEU HBy 1.0 1.8 5.0 887 884 A 72 LEU HA A 72 LEU HBx 1.0 1.8 5.0 888 885 A 72 LEU HA A 72 LEU HG 1.0 1.8 5.0 889 886 A 72 LEU HA A 72 LEU HDx% 1.0 1.8 4.0 890 887 A 72 LEU HA A 72 LEU HDy% 1.0 1.8 5.0 891 888 A 73 VAL H A 72 LEU HA 1.0 1.8 3.8 892 889 A 72 LEU HBy A 72 LEU HBx 1.0 1.8 4.0 893 890 A 72 LEU HBy A 72 LEU HDx% 1.0 1.8 4.8 894 891 A 72 LEU HBy A 72 LEU HDy% 1.0 1.8 5.0 895 892 A 73 VAL H A 72 LEU HBy 1.0 1.8 5.0 896 893 A 72 LEU HBx A 72 LEU HDx% 1.0 1.8 5.0 897 894 A 72 LEU HBx A 72 LEU HDy% 1.0 1.8 4.4 898 895 A 73 VAL H A 72 LEU HDx% 1.0 1.8 5.7 899 896 A 73 VAL H A 72 LEU HDy% 1.0 1.8 5.3 900 897 A 73 VAL HA A 72 LEU HDy% 1.0 1.8 5.0 901 898 A 73 VAL H A 73 VAL HA 1.0 1.8 4.2 902 899 A 73 VAL H A 73 VAL HB 1.0 1.8 4.2 903 900 A 73 VAL HGx% A 73 VAL H 1.0 1.8 5.0 904 901 A 73 VAL H A 73 VAL HGy% 1.0 1.8 4.4 905 902 A 73 VAL HA A 73 VAL HB 1.0 1.8 5.0 906 903 A 73 VAL HGx% A 73 VAL HA 1.0 1.8 4.8 907 904 A 73 VAL HA A 73 VAL HGy% 1.0 1.8 4.6 908 905 A 73 VAL HA A 74 LEU H 1.0 1.8 3.8 909 906 A 74 LEU HDx% A 73 VAL HA 1.0 1.8 5.0 910 907 A 74 LEU H A 73 VAL HB 1.0 1.8 3.8 911 908 A 77 ASP HBy A 73 VAL HB 1.0 1.8 5.0 912 909 A 77 ASP HBx A 73 VAL HB 1.0 1.8 5.0 913 910 A 73 VAL HGx% A 73 VAL HB 1.0 1.8 4.6 914 911 A 73 VAL HGx% A 74 LEU H 1.0 1.8 4.4 915 912 A 73 VAL HGx% A 77 ASP H 1.0 1.8 4.8 916 913 A 73 VAL HGx% A 77 ASP HA 1.0 1.8 5.3 917 914 A 73 VAL HGx% A 77 ASP HBy 1.0 1.8 4.6 918 915 A 73 VAL HGx% A 77 ASP HBx 1.0 1.8 4.6 919 916 A 73 VAL HGx% A 78 ILE H 1.0 1.8 5.0 920 917 A 73 VAL HGx% A 78 ILE HA 1.0 1.8 5.0 921 918 A 78 ILE HD1% A 73 VAL HGx% 1.0 1.8 4.4 922 919 A 73 VAL HGy% A 73 VAL HB 1.0 1.8 4.4 923 920 A 74 LEU H A 73 VAL HGy% 1.0 1.8 5.0 924 921 A 74 LEU HA A 74 LEU H 1.0 1.8 5.0 925 922 A 74 LEU H A 74 LEU HBy 1.0 1.8 5.0 926 923 A 74 LEU H A 74 LEU HG 1.0 1.8 5.0 927 924 A 74 LEU HDx% A 74 LEU H 1.0 1.8 5.0 928 925 A 75 TRP H A 74 LEU H 1.0 1.8 5.0 929 926 A 74 LEU H A 76 LYS H 1.0 1.8 5.0 930 927 A 74 LEU H A 77 ASP H 1.0 1.8 5.0 931 928 A 77 ASP HBy A 74 LEU H 1.0 1.8 5.0 932 929 A 77 ASP HBx A 74 LEU H 1.0 1.8 5.0 933 930 A 78 ILE HG1x A 74 LEU H 1.0 1.8 4.0 934 931 A 74 LEU HA A 74 LEU HBy 1.0 1.8 4.8 935 932 A 74 LEU HDx% A 74 LEU HA 1.0 1.8 5.0 936 933 A 75 TRP H A 74 LEU HA 1.0 1.8 3.8 937 934 A 75 TRP HD1 A 74 LEU HA 1.0 1.8 5.0 938 935 A 75 TRP H A 74 LEU HBy 1.0 1.8 4.8 939 936 A 74 LEU HBy A 76 LYS H 1.0 1.8 4.0 940 937 A 77 ASP H A 74 LEU HBy 1.0 1.8 4.6 941 938 A 74 LEU HDx% A 74 LEU HG 1.0 1.8 3.6 942 939 A 74 LEU HDx% A 75 TRP H 1.0 1.8 5.0 943 940 A 74 LEU HDx% A 76 LYS H 1.0 1.8 5.5 944 941 A 74 LEU HDx% A 76 LYS HEx 1.0 1.8 4.5 945 942 A 75 TRP HA A 75 TRP H 1.0 1.8 4.8 946 943 A 75 TRP HBy A 75 TRP H 1.0 1.8 5.0 947 944 A 75 TRP HBx A 75 TRP H 1.0 1.8 4.6 948 945 A 75 TRP HD1 A 75 TRP H 1.0 1.8 5.0 949 946 A 75 TRP H A 76 LYS H 1.0 1.8 5.0 950 947 A 75 TRP H A 77 ASP H 1.0 1.8 5.0 951 948 A 75 TRP HA A 75 TRP HBy 1.0 1.8 5.0 952 949 A 75 TRP HA A 75 TRP HD1 1.0 1.8 4.0 953 950 A 75 TRP HA A 76 LYS H 1.0 1.8 4.4 954 951 A 75 TRP HA A 77 ASP H 1.0 1.8 5.0 955 952 A 75 TRP HA A 78 ILE H 1.0 1.8 5.0 956 953 A 78 ILE HB A 75 TRP HA 1.0 1.8 5.0 957 954 A 75 TRP HA A 78 ILE HD1% 1.0 1.8 4.8 958 955 A 75 TRP HBy A 75 TRP HD1 1.0 1.8 5.0 959 956 A 75 TRP HBy A 75 TRP HE3 1.0 1.8 5.0 960 957 A 75 TRP HBy A 76 LYS H 1.0 1.8 5.0 961 958 A 75 TRP HBx A 75 TRP HD1 1.0 1.8 5.0 962 959 A 75 TRP HD1 A 75 TRP HE1 1.0 1.8 4.6 963 960 A 75 TRP HD1 A 78 ILE HG1x 1.0 1.8 5.0 964 961 A 75 TRP HD1 A 78 ILE HD1% 1.0 1.8 4.4 965 962 A 75 TRP HE1 A 78 ILE HD1% 1.0 1.8 5.0 966 963 A 75 TRP HE3 A 75 TRP HZ3 1.0 1.8 5.0 967 964 A 75 TRP HH2 A 75 TRP HZ2 1.0 1.8 4.4 968 965 A 76 LYS H A 76 LYS HA 1.0 1.8 5.0 969 966 A 76 LYS H A 76 LYS HGx 1.0 1.8 4.6 970 967 A 76 LYS HA A 76 LYS HBy 1.0 1.8 4.2 971 968 A 77 ASP H A 76 LYS HA 1.0 1.8 5.0 972 969 A 76 LYS HBy A 76 LYS HEy 1.0 1.8 5.0 973 970 A 76 LYS HEx A 76 LYS HBy 1.0 1.8 5.0 974 971 A 76 LYS HGx A 76 LYS HEy 1.0 1.8 5.0 975 972 A 77 ASP H A 76 LYS HGx 1.0 1.8 5.0 976 973 A 77 ASP HA A 77 ASP H 1.0 1.8 4.6 977 974 A 77 ASP HBy A 77 ASP H 1.0 1.8 4.2 978 975 A 77 ASP HBx A 77 ASP H 1.0 1.8 4.8 979 976 A 77 ASP H A 78 ILE H 1.0 1.8 4.2 980 977 A 77 ASP HBy A 77 ASP HA 1.0 1.8 5.0 981 978 A 77 ASP HBx A 77 ASP HA 1.0 1.8 4.8 982 979 A 77 ASP HA A 78 ILE H 1.0 1.8 5.0 983 980 A 77 ASP HBy A 78 ILE H 1.0 1.8 5.0 984 981 A 78 ILE HA A 78 ILE H 1.0 1.8 5.0 985 982 A 78 ILE HB A 78 ILE H 1.0 1.8 4.2 986 983 A 78 ILE HG1x A 78 ILE H 1.0 1.8 4.8 987 984 A 78 ILE HD1% A 78 ILE H 1.0 1.8 5.0 988 985 A 78 ILE HG2% A 78 ILE H 1.0 1.8 4.8 989 986 A 78 ILE HB A 78 ILE HA 1.0 1.8 5.0 990 987 A 78 ILE HD1% A 78 ILE HA 1.0 1.8 4.4 991 988 A 78 ILE HG2% A 78 ILE HA 1.0 1.8 5.0 992 989 A 79 SER H A 78 ILE HA 1.0 1.8 4.0 993 990 A 78 ILE HB A 78 ILE HG1x 1.0 1.8 5.0 994 991 A 78 ILE HB A 78 ILE HD1% 1.0 1.8 5.0 995 992 A 78 ILE HB A 79 SER H 1.0 1.8 5.0 996 993 A 78 ILE HD1% A 78 ILE HG1x 1.0 1.8 4.4 997 994 A 78 ILE HB A 78 ILE HG2% 1.0 1.8 4.4 998 995 A 78 ILE HG2% A 79 SER H 1.0 1.8 4.6 999 996 A 78 ILE HG2% A 79 SER HA 1.0 1.8 5.0 1000 997 A 79 SER H A 79 SER HA 1.0 1.8 4.6 1001 998 A 79 SER H A 79 SER HBy 1.0 1.8 5.0 1002 999 A 79 SER H A 79 SER HBx 1.0 1.8 5.0 1003 1000 A 79 SER HBy A 79 SER HA 1.0 1.8 4.0 1004 1001 A 79 SER HBx A 79 SER HA 1.0 1.8 5.0 1005 1002 A 80 PRO HBx A 80 PRO HA 1.0 1.8 4.6 1006 1003 A 81 ALA H A 80 PRO HA 1.0 1.8 3.8 1007 1004 A 81 ALA H A 80 PRO HBy 1.0 1.8 5.0 1008 1005 A 80 PRO HBx A 81 ALA H 1.0 1.8 5.0 1009 1006 A 81 ALA H A 81 ALA HA 1.0 1.8 4.6 1010 1007 A 81 ALA H A 81 ALA HB% 1.0 1.8 4.0 1011 1008 A 81 ALA HB% A 81 ALA HA 1.0 1.8 3.6 1012 1009 A 81 ALA HA A 82 ALA H 1.0 1.8 4.4 1013 1010 A 81 ALA HB% A 82 ALA H 1.0 1.8 4.8 1014 1011 A 81 ALA HB% A 82 ALA HA 1.0 1.8 5.0 1015 1012 A 82 ALA H A 82 ALA HA 1.0 1.8 4.6 1016 1013 A 82 ALA H A 82 ALA HB% 1.0 1.8 4.4 1017 1014 A 82 ALA HA A 83 LEU H 1.0 1.8 4.2 1018 1015 A 82 ALA HA A 82 ALA HB% 1.0 1.8 4.8 1019 1016 A 82 ALA HB% A 83 LEU H 1.0 1.8 5.0 1020 1017 B 332 THR HA B 333 GLY H 1.0 1.8 5.0 1021 1018 B 333 GLY H B 333 GLY HAx 1.0 1.8 5.0 1022 1019 B 333 GLY H B 333 GLY HAy 1.0 1.8 5.0 1023 1020 B 334 GLY H B 334 GLY HAx 1.0 1.8 4.4 1024 1021 B 334 GLY H B 334 GLY HAy 1.0 1.8 4.4 1025 1022 B 334 GLY H B 335 VAL HGx% 1.0 1.8 5.6 1026 1023 B 334 GLY HAx B 335 VAL H 1.0 1.8 4.2 1027 1024 B 334 GLY HAy B 335 VAL H 1.0 1.8 4.0 1028 1025 B 335 VAL H B 335 VAL HA 1.0 1.8 4.8 1029 1026 B 335 VAL H B 335 VAL HB 1.0 1.8 4.2 1030 1027 B 335 VAL HGx% B 335 VAL H 1.0 1.8 4.0 1031 1028 B 335 VAL HA B 335 VAL HB 1.0 1.8 5.0 1032 1029 B 335 VAL HGx% B 335 VAL HA 1.0 1.8 4.2 1033 1030 B 335 VAL HGx% B 335 VAL HB 1.0 1.8 3.2 1034 1031 B 337 LYS H B 337 LYS HA 1.0 1.8 5.0 1035 1032 B 338 PRO HGy B 338 PRO HDx 1.0 1.8 4.0 1036 1033 B 339 HIS HBy B 339 HIS H 1.0 1.8 5.0 1037 1034 B 339 HIS HBy B 339 HIS HA 1.0 1.8 4.8 1038 1035 B 339 HIS HD2 B 339 HIS HA 1.0 1.8 5.0 1039 1036 B 339 HIS HA B 340 ARG H 1.0 1.8 4.8 1040 1037 B 339 HIS HBy B 339 HIS HD2 1.0 1.8 4.2 1041 1038 B 339 HIS HBy B 339 HIS HE1 1.0 1.8 5.2 1042 1039 B 339 HIS HD2 B 339 HIS HE1 1.0 1.8 5.0 1043 1040 B 340 ARG HA B 340 ARG HGy 1.0 1.8 3.4 1044 1041 B 341 TYR H B 340 ARG HA 1.0 1.8 3.8 1045 1042 B 340 ARG HBy B 340 ARG HDy 1.0 1.8 4.6 1046 1043 B 341 TYR H B 340 ARG HBy 1.0 1.8 5.0 1047 1044 B 340 ARG HDy B 340 ARG HBx 1.0 1.8 4.4 1048 1045 B 341 TYR H B 340 ARG HBx 1.0 1.8 5.0 1049 1046 B 340 ARG HGy B 340 ARG HDy 1.0 1.8 4.2 1050 1047 B 341 TYR H B 340 ARG HGy 1.0 1.8 5.0 1051 1048 B 341 TYR H B 341 TYR HA 1.0 1.8 4.6 1052 1049 B 341 TYR H B 341 TYR HBy 1.0 1.8 4.4 1053 1050 B 341 TYR H B 341 TYR HBx 1.0 1.8 5.0 1054 1051 B 341 TYR H B 341 TYR HDx 1.0 1.8 5.0 1055 1052 B 341 TYR HA B 341 TYR HBx 1.0 1.8 4.4 1056 1053 B 341 TYR HA B 341 TYR HDx 1.0 1.8 4.8 1057 1054 B 341 TYR HBy B 341 TYR HDx 1.0 1.8 4.4 1058 1055 B 341 TYR HBx B 341 TYR HDx 1.0 1.8 4.6 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 51 ILE H A 35 GLN O 1.0 1.8 2.4 2 2 A 35 GLN O A 51 ILE N 1.0 1.8 3.4 3 3 A 37 VAL H A 49 GLY O 1.0 1.8 2.4 4 4 A 49 GLY O A 37 VAL N 1.0 1.8 3.4 5 5 A 49 GLY H A 37 VAL O 1.0 1.8 2.4 6 6 A 37 VAL O A 49 GLY N 1.0 1.8 3.4 7 7 A 38 LEU H A 79 SER O 1.0 1.8 2.4 8 8 A 79 SER O A 38 LEU N 1.0 1.8 3.4 9 9 A 79 SER H A 38 LEU O 1.0 1.8 2.4 10 10 A 38 LEU O A 79 SER N 1.0 1.8 3.4 11 11 A 39 ALA H A 47 TYR O 1.0 1.8 2.4 12 12 A 47 TYR O A 39 ALA N 1.0 1.8 3.4 13 13 A 47 TYR H A 39 ALA O 1.0 1.8 2.4 14 14 A 39 ALA O A 47 TYR N 1.0 1.8 3.4 15 15 A 41 TRP H A 45 LEU O 1.0 1.8 2.4 16 16 A 45 LEU O A 41 TRP N 1.0 1.8 3.4 17 17 A 53 LYS H A 62 LEU O 1.0 1.8 2.4 18 18 A 62 LEU O A 53 LYS N 1.0 1.8 3.4 19 19 A 55 ASP H A 60 VAL O 1.0 1.8 2.4 20 20 A 60 VAL O A 55 ASP N 1.0 1.8 3.4 21 21 A 61 CYS H A 73 VAL O 1.0 1.8 2.4 22 22 A 73 VAL O A 61 CYS N 1.0 1.8 3.4 23 23 A 73 VAL H A 61 CYS O 1.0 1.8 2.4 24 24 A 61 CYS O A 73 VAL N 1.0 1.8 3.4 25 25 A 71 PHE H A 63 VAL O 1.0 1.8 2.4 26 26 A 63 VAL O A 71 PHE N 1.0 1.8 3.4 27 27 A 65 PHE H A 69 SER O 1.0 1.8 2.4 28 28 A 69 SER O A 65 PHE N 1.0 1.8 3.4 29 29 A 66 GLU OE2 B 337 LYS HZ% 1.0 1.8 2.4 30 30 A 66 GLU OE2 B 337 LYS NZ 1.0 1.8 2.9 31 31 A 66 GLU OE2 B 337 LYS HZ% 1.0 1.8 2.4 32 32 A 66 GLU OE2 B 337 LYS NZ 1.0 1.8 2.9 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 15 LEU C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -167.8 -132.0 PHI 2 2 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 ASP N 1.0 128.5 164.1 PSI 3 3 A 16 TRP C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -177.7 -65.3 PHI 4 4 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 PRO N 1.0 92.5 178.3 PSI 5 5 A 18 PRO C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -108.5 -67.1 PHI 6 6 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 SER N 1.0 -19.9 11.3 PSI 7 7 A 28 ARG C A 29 PRO N A 29 PRO CA A 29 PRO C 1.0 -82.6 -55.4 PHI 8 8 A 29 PRO N A 29 PRO CA A 29 PRO C A 30 ARG N 1.0 127.7 173.9 PSI 9 9 A 30 ARG C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -168.3 -78.7 PHI 10 10 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 TRP N 1.0 103.9 172.1 PSI 11 11 A 31 LEU C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 -174.4 -60.4 PHI 12 12 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 GLU N 1.0 134.1 181.7 PSI 13 13 A 32 TRP C A 33 GLU N A 33 GLU CA A 33 GLU C 1.0 -81.6 -32.2 PHI 14 14 A 33 GLU N A 33 GLU CA A 33 GLU C A 34 GLY N 1.0 116.4 151.8 PSI 15 15 A 34 GLY C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -123.6 -28.0 PHI 16 16 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 ASP N 1.0 97.7 172.9 PSI 17 17 A 35 GLN C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -122.1 -60.5 PHI 18 18 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 VAL N 1.0 94.0 171.6 PSI 19 19 A 36 ASP C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -141.1 -118.5 PHI 20 20 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 LEU N 1.0 148.7 186.7 PSI 21 21 A 37 VAL C A 38 LEU N A 38 LEU CA A 38 LEU C 1.0 -163.9 -87.3 PHI 22 22 A 38 LEU N A 38 LEU CA A 38 LEU C A 39 ALA N 1.0 104.3 173.5 PSI 23 23 A 38 LEU C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -147.4 -87.4 PHI 24 24 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 ARG N 1.0 97.7 164.7 PSI 25 25 A 39 ALA C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -124.3 -59.9 PHI 26 26 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 TRP N 1.0 105.7 148.5 PSI 27 27 A 40 ARG C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -132.9 -61.3 PHI 28 28 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 THR N 1.0 98.5 215.7 PSI 29 29 A 41 TRP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -96.4 -40.6 PHI 30 30 A 42 THR N A 42 THR CA A 42 THR C A 43 ASP N 1.0 -56.8 26.4 PSI 31 31 A 42 THR C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -115.4 -58.6 PHI 32 32 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 GLY N 1.0 -18.7 16.3 PSI 33 33 A 43 ASP C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 61.7 116.9 PHI 34 34 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 LEU N 1.0 -15.3 32.1 PSI 35 35 A 45 LEU C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -181.5 -61.1 PHI 36 36 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 TYR N 1.0 125.9 177.7 PSI 37 37 A 46 LEU C A 47 TYR N A 47 TYR CA A 47 TYR C 1.0 -160.1 -116.1 PHI 38 38 A 47 TYR N A 47 TYR CA A 47 TYR C A 48 LEU N 1.0 121.2 170.2 PSI 39 39 A 47 TYR C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -150.2 -63.6 PHI 40 40 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 GLY N 1.0 103.1 155.1 PSI 41 41 A 48 LEU C A 49 GLY N A 49 GLY CA A 49 GLY C 1.0 -191.3 -78.1 PHI 42 42 A 49 GLY N A 49 GLY CA A 49 GLY C A 50 THR N 1.0 107.6 196.4 PSI 43 43 A 49 GLY C A 50 THR N A 50 THR CA A 50 THR C 1.0 -158.4 -81.2 PHI 44 44 A 50 THR N A 50 THR CA A 50 THR C A 51 ILE N 1.0 99.0 184.0 PSI 45 45 A 50 THR C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -109.3 -61.9 PHI 46 46 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 LYS N 1.0 95.4 134.0 PSI 47 47 A 51 ILE C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -120.3 -74.7 PHI 48 48 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 LYS N 1.0 -54.8 -10.2 PSI 49 49 A 52 LYS C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -170.0 -134.6 PHI 50 50 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 VAL N 1.0 119.5 168.1 PSI 51 51 A 53 LYS C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -152.3 -74.3 PHI 52 52 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 ASP N 1.0 100.9 143.1 PSI 53 53 A 54 VAL C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -122.9 -65.3 PHI 54 54 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 SER N 1.0 59.4 174.2 PSI 55 55 A 55 ASP C A 56 SER N A 56 SER CA A 56 SER C 1.0 -76.3 -51.5 PHI 56 56 A 56 SER N A 56 SER CA A 56 SER C A 57 ALA N 1.0 -43.8 7.8 PSI 57 57 A 56 SER C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -90.8 -59.2 PHI 58 58 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 ARG N 1.0 -53.2 -11.8 PSI 59 59 A 57 ALA C A 58 ARG N A 58 ARG CA A 58 ARG C 1.0 -108.0 -75.8 PHI 60 60 A 58 ARG N A 58 ARG CA A 58 ARG C A 59 GLU N 1.0 -14.4 22.6 PSI 61 61 A 58 ARG C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 35.2 88.2 PHI 62 62 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 VAL N 1.0 14.7 64.1 PSI 63 63 A 59 GLU C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -167.1 -104.5 PHI 64 64 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 CYS N 1.0 142.1 194.3 PSI 65 65 A 60 VAL C A 61 CYS N A 61 CYS CA A 61 CYS C 1.0 -179.9 -107.7 PHI 66 66 A 61 CYS N A 61 CYS CA A 61 CYS C A 62 LEU N 1.0 106.5 173.3 PSI 67 67 A 61 CYS C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -145.3 -55.1 PHI 68 68 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 VAL N 1.0 86.4 134.2 PSI 69 69 A 62 LEU C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -140.0 -96.8 PHI 70 70 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 GLN N 1.0 112.0 143.8 PSI 71 71 A 63 VAL C A 64 GLN N A 64 GLN CA A 64 GLN C 1.0 -140.5 -87.9 PHI 72 72 A 64 GLN N A 64 GLN CA A 64 GLN C A 65 PHE N 1.0 91.3 163.7 PSI 73 73 A 65 PHE C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -82.4 -43.4 PHI 74 74 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 ASP N 1.0 -55.0 -1.4 PSI 75 75 A 66 GLU C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -124.3 -69.7 PHI 76 76 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ASP N 1.0 -20.3 39.3 PSI 77 77 A 67 ASP C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 43.2 81.0 PHI 78 78 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 SER N 1.0 -2.8 57.2 PSI 79 79 A 69 SER C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -181.5 -97.7 PHI 80 80 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 PHE N 1.0 94.7 169.9 PSI 81 81 A 70 GLN C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -156.6 -118.0 PHI 82 82 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 LEU N 1.0 118.7 171.1 PSI 83 83 A 71 PHE C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -114.9 -72.5 PHI 84 84 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 VAL N 1.0 113.7 140.1 PSI 85 85 A 72 LEU C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -139.0 -89.2 PHI 86 86 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 LEU N 1.0 106.4 149.4 PSI 87 87 A 74 LEU C A 75 TRP N A 75 TRP CA A 75 TRP C 1.0 -85.9 -37.3 PHI 88 88 A 75 TRP N A 75 TRP CA A 75 TRP C A 76 LYS N 1.0 -52.4 -15.6 PSI 89 89 A 75 TRP C A 76 LYS N A 76 LYS CA A 76 LYS C 1.0 -100.2 -57.4 PHI 90 90 A 76 LYS N A 76 LYS CA A 76 LYS C A 77 ASP N 1.0 -48.7 16.5 PSI 91 91 A 77 ASP C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -152.2 -42.8 PHI 92 92 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 SER N 1.0 96.8 157.6 PSI 93 93 A 78 ILE C A 79 SER N A 79 SER CA A 79 SER C 1.0 -142.9 -49.5 PHI 94 94 A 79 SER N A 79 SER CA A 79 SER C A 80 PRO N 1.0 103.5 171.9 PSI 95 95 A 79 SER C A 80 PRO N A 80 PRO CA A 80 PRO C 1.0 -84.5 -46.3 PHI 96 96 A 80 PRO N A 80 PRO CA A 80 PRO C A 81 ALA N 1.0 123.3 166.3 PSI stop_ save_