data_nef_c25177_2mtq 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2A3D PDB 2MTQ stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 SER middle . . 4 A 4 TRP middle . . 5 A 5 ALA middle . . 6 A 6 GLU middle . . 7 A 7 PHE middle . . 8 A 8 LYS middle . . 9 A 9 GLN middle . . 10 A 10 ARG middle . . 11 A 11 LEU middle . . 12 A 12 ALA middle . . 13 A 13 ALA middle . . 14 A 14 ILE middle . . 15 A 15 LYS middle . . 16 A 16 THR middle . . 17 A 17 ARG middle . . 18 A 18 CYS middle . . 19 A 19 GLN middle . . 20 A 20 ALA middle . . 21 A 21 LEU middle . . 22 A 22 GLY middle . false 23 A 23 GLY middle . false 24 A 24 SER middle . . 25 A 25 GLU middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 CYS middle . . 29 A 29 ALA middle . . 30 A 30 ALA middle . . 31 A 31 PHE middle . . 32 A 32 GLU middle . . 33 A 33 LYS middle . . 34 A 34 GLU middle . . 35 A 35 ILE middle . . 36 A 36 ALA middle . . 37 A 37 ALA middle . . 38 A 38 PHE middle . . 39 A 39 GLU middle . . 40 A 40 SER middle . . 41 A 41 GLU middle . . 42 A 42 LEU middle . . 43 A 43 GLN middle . . 44 A 44 ALA middle . . 45 A 45 TYR middle . . 46 A 46 LYS middle . . 47 A 47 GLY middle . false 48 A 48 LYS middle . . 49 A 49 GLY middle . false 50 A 50 ASN middle . . 51 A 51 PRO middle . false 52 A 52 GLU middle . . 53 A 53 VAL middle . . 54 A 54 GLU middle . . 55 A 55 ALA middle . . 56 A 56 LEU middle . . 57 A 57 ARG middle . . 58 A 58 LYS middle . . 59 A 59 GLU middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 ILE middle . . 64 A 64 ARG middle . . 65 A 65 ASP middle . . 66 A 66 GLU middle . . 67 A 67 CYS middle . . 68 A 68 GLN middle . . 69 A 69 ALA middle . . 70 A 70 TYR middle . . 71 A 71 ARG middle . . 72 A 72 HIS middle . . 73 A 73 ASN 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 SER HA H 1 4.362 . A 3 SER C C 13 176.187 . A 3 SER CA C 13 55.064 . A 3 SER CB C 13 61.154 . A 4 TRP H H 1 8.287 . A 4 TRP HA H 1 4.532 . A 4 TRP HBy H 1 3.318 . A 4 TRP HBx H 1 3.296 . A 4 TRP HD1 H 1 7.001 . A 4 TRP HE1 H 1 10.078 . A 4 TRP HE3 H 1 7.238 . A 4 TRP HZ2 H 1 7.223 . A 4 TRP C C 13 177.481 . A 4 TRP CA C 13 59.541 . A 4 TRP CB C 13 29.557 . A 4 TRP N N 15 122.487 . A 4 TRP NE1 N 15 129.063 . A 5 ALA H H 1 8.287 . A 5 ALA HA H 1 3.882 . A 5 ALA HB% H 1 1.381 . A 5 ALA C C 13 180.462 . A 5 ALA CA C 13 55.398 . A 5 ALA CB C 13 18.029 . A 5 ALA N N 15 121.306 . A 6 GLU H H 1 7.805 . A 6 GLU HA H 1 4.062 . A 6 GLU HBx H 1 1.946 . A 6 GLU HBy H 1 1.946 . A 6 GLU HGy H 1 2.527 . A 6 GLU HGx H 1 2.177 . A 6 GLU C C 13 179.425 . A 6 GLU CA C 13 59.242 . A 6 GLU CB C 13 29.217 . A 6 GLU CG C 13 36.897 . A 6 GLU N N 15 118.841 . A 7 PHE H H 1 7.950 . A 7 PHE HA H 1 4.365 . A 7 PHE HBx H 1 3.048 . A 7 PHE HBy H 1 3.048 . A 7 PHE HDx H 1 7.165 . A 7 PHE HDy H 1 7.165 . A 7 PHE HEx H 1 6.984 . A 7 PHE HEy H 1 6.984 . A 7 PHE C C 13 178.168 . A 7 PHE CA C 13 61.400 . A 7 PHE CB C 13 39.174 . A 7 PHE CDx C 13 131.441 . A 7 PHE CDy C 13 131.441 . A 7 PHE CEx C 13 131.441 . A 7 PHE CEy C 13 131.441 . A 7 PHE N N 15 120.314 . A 8 LYS H H 1 8.214 . A 8 LYS HA H 1 3.807 . A 8 LYS HBy H 1 1.798 . A 8 LYS HBx H 1 1.727 . A 8 LYS HDx H 1 1.753 . A 8 LYS HDy H 1 1.753 . A 8 LYS HEx H 1 2.950 . A 8 LYS HEy H 1 2.950 . A 8 LYS HGx H 1 1.363 . A 8 LYS HGy H 1 1.363 . A 8 LYS C C 13 179.501 . A 8 LYS CA C 13 60.102 . A 8 LYS CB C 13 31.793 . A 8 LYS CD C 13 29.226 . A 8 LYS CE C 13 42.084 . A 8 LYS CG C 13 24.683 . A 8 LYS N N 15 119.370 . A 9 GLN H H 1 7.859 . A 9 GLN HA H 1 4.075 . A 9 GLN HBx H 1 2.140 . A 9 GLN HBy H 1 2.140 . A 9 GLN HGx H 1 2.398 . A 9 GLN HGy H 1 2.398 . A 9 GLN C C 13 178.818 . A 9 GLN CA C 13 58.598 . A 9 GLN CB C 13 28.100 . A 9 GLN CG C 13 34.019 . A 9 GLN N N 15 120.219 . A 10 ARG H H 1 8.135 . A 10 ARG HA H 1 4.053 . A 10 ARG HBx H 1 2.006 . A 10 ARG HBy H 1 2.006 . A 10 ARG HDy H 1 3.245 . A 10 ARG HDx H 1 3.041 . A 10 ARG HGx H 1 1.608 . A 10 ARG HGy H 1 1.870 . A 10 ARG C C 13 179.057 . A 10 ARG CA C 13 59.075 . A 10 ARG CB C 13 30.535 . A 10 ARG CD C 13 44.072 . A 10 ARG CG C 13 26.994 . A 10 ARG N N 15 122.005 . A 11 LEU H H 1 8.066 . A 11 LEU HA H 1 3.641 . A 11 LEU HBy H 1 1.725 . A 11 LEU HBx H 1 1.410 . A 11 LEU HDx% H 1 0.688 . A 11 LEU HDy% H 1 0.757 . A 11 LEU HG H 1 1.455 . A 11 LEU C C 13 177.921 . A 11 LEU CA C 13 57.226 . A 11 LEU CB C 13 40.604 . A 11 LEU CDx C 13 23.508 . A 11 LEU CDy C 13 26.026 . A 11 LEU CG C 13 26.297 . A 11 LEU N N 15 120.796 . A 12 ALA H H 1 7.670 . A 12 ALA HA H 1 4.013 . A 12 ALA HB% H 1 1.455 . A 12 ALA C C 13 180.299 . A 12 ALA CA C 13 55.055 . A 12 ALA CB C 13 17.431 . A 12 ALA N N 15 121.596 . A 13 ALA H H 1 7.601 . A 13 ALA HA H 1 4.162 . A 13 ALA HB% H 1 1.509 . A 13 ALA C C 13 180.732 . A 13 ALA CA C 13 54.881 . A 13 ALA CB C 13 17.816 . A 13 ALA N N 15 121.486 . A 14 ILE H H 1 7.843 . A 14 ILE HA H 1 3.674 . A 14 ILE HB H 1 1.912 . A 14 ILE HD1% H 1 0.472 . A 14 ILE HG1x H 1 1.653 . A 14 ILE HG1y H 1 1.653 . A 14 ILE HG2% H 1 0.856 . A 14 ILE C C 13 177.883 . A 14 ILE CA C 13 65.821 . A 14 ILE CB C 13 38.078 . A 14 ILE CD1 C 13 13.466 . A 14 ILE CG1 C 13 29.226 . A 14 ILE CG2 C 13 18.278 . A 14 ILE N N 15 121.912 . A 15 LYS H H 1 8.439 . A 15 LYS HA H 1 3.837 . A 15 LYS HBx H 1 1.795 . A 15 LYS HBy H 1 1.795 . A 15 LYS HDx H 1 1.620 . A 15 LYS HDy H 1 1.620 . A 15 LYS HEx H 1 2.895 . A 15 LYS HEy H 1 2.895 . A 15 LYS HGx H 1 1.424 . A 15 LYS HGy H 1 1.424 . A 15 LYS C C 13 178.896 . A 15 LYS CA C 13 60.438 . A 15 LYS CB C 13 32.117 . A 15 LYS CD C 13 29.582 . A 15 LYS CE C 13 42.071 . A 15 LYS CG C 13 25.456 . A 15 LYS N N 15 121.705 . A 16 THR H H 1 7.936 . A 16 THR HA H 1 3.919 . A 16 THR HB H 1 4.200 . A 16 THR HG2% H 1 1.221 . A 16 THR C C 13 176.872 . A 16 THR CA C 13 66.297 . A 16 THR CB C 13 69.045 . A 16 THR CG2 C 13 21.933 . A 16 THR N N 15 115.218 . A 17 ARG H H 1 7.781 . A 17 ARG HA H 1 4.019 . A 17 ARG HBx H 1 1.965 . A 17 ARG HBy H 1 1.965 . A 17 ARG HDy H 1 3.196 . A 17 ARG HDx H 1 3.150 . A 17 ARG HGy H 1 1.727 . A 17 ARG HGx H 1 1.584 . A 17 ARG C C 13 178.281 . A 17 ARG CA C 13 58.970 . A 17 ARG CB C 13 30.138 . A 17 ARG CD C 13 43.331 . A 17 ARG CG C 13 28.077 . A 17 ARG N N 15 122.508 . A 18 CYS H H 1 8.158 . A 18 CYS HA H 1 3.474 . A 18 CYS HBx H 1 2.816 . A 18 CYS HBy H 1 2.975 . A 18 CYS C C 13 176.151 . A 18 CYS CA C 13 61.355 . A 18 CYS CB C 13 26.572 . A 18 CYS N N 15 119.296 . A 19 GLN H H 1 7.523 . A 19 GLN HA H 1 4.040 . A 19 GLN HBx H 1 2.140 . A 19 GLN HBy H 1 2.140 . A 19 GLN HGx H 1 2.494 . A 19 GLN HGy H 1 2.494 . A 19 GLN C C 13 176.178 . A 19 GLN CA C 13 57.379 . A 19 GLN CB C 13 28.284 . A 19 GLN CG C 13 34.216 . A 19 GLN N N 15 116.825 . A 20 ALA H H 1 7.322 . A 20 ALA HA H 1 4.361 . A 20 ALA HB% H 1 1.356 . A 20 ALA C C 13 177.491 . A 20 ALA CA C 13 51.870 . A 20 ALA CB C 13 19.191 . A 20 ALA N N 15 121.265 . A 21 LEU H H 1 7.200 . A 21 LEU HA H 1 4.030 . A 21 LEU HBy H 1 1.549 . A 21 LEU HBx H 1 1.338 . A 21 LEU HDx% H 1 0.688 . A 21 LEU HDy% H 1 0.700 . A 21 LEU HG H 1 1.667 . A 21 LEU C C 13 177.889 . A 21 LEU CA C 13 55.960 . A 21 LEU CB C 13 42.488 . A 21 LEU CDx C 13 23.508 . A 21 LEU CDy C 13 25.378 . A 21 LEU CG C 13 26.575 . A 21 LEU N N 15 120.570 . A 22 GLY H H 1 8.454 . A 22 GLY HAy H 1 4.029 . A 22 GLY HAx H 1 3.983 . A 22 GLY C C 13 174.896 . A 22 GLY CA C 13 45.562 . A 22 GLY N N 15 109.881 . A 23 GLY H H 1 7.759 . A 23 GLY HAx H 1 3.890 . A 23 GLY HAy H 1 3.890 . A 23 GLY C C 13 174.347 . A 23 GLY CA C 13 45.514 . A 23 GLY N N 15 107.014 . A 24 SER H H 1 8.096 . A 24 SER HA H 1 4.519 . A 24 SER HBx H 1 3.991 . A 24 SER HBy H 1 3.991 . A 24 SER C C 13 175.184 . A 24 SER CA C 13 57.853 . A 24 SER CB C 13 64.487 . A 24 SER N N 15 116.572 . A 25 GLU H H 1 9.042 . A 25 GLU HA H 1 3.853 . A 25 GLU HBx H 1 1.957 . A 25 GLU HBy H 1 1.957 . A 25 GLU HGx H 1 2.115 . A 25 GLU HGy H 1 2.115 . A 25 GLU C C 13 178.773 . A 25 GLU CA C 13 59.974 . A 25 GLU CB C 13 29.182 . A 25 GLU CG C 13 36.738 . A 25 GLU N N 15 126.083 . A 26 ALA H H 1 8.514 . A 26 ALA HA H 1 4.147 . A 26 ALA HB% H 1 1.398 . A 26 ALA C C 13 180.987 . A 26 ALA CA C 13 54.991 . A 26 ALA CB C 13 18.099 . A 26 ALA N N 15 121.614 . A 27 GLU H H 1 7.757 . A 27 GLU HA H 1 4.111 . A 27 GLU HBx H 1 2.087 . A 27 GLU HBy H 1 2.087 . A 27 GLU HGx H 1 2.281 . A 27 GLU HGy H 1 2.281 . A 27 GLU C C 13 179.198 . A 27 GLU CA C 13 58.826 . A 27 GLU CB C 13 29.958 . A 27 GLU CG C 13 36.938 . A 27 GLU N N 15 119.564 . A 28 CYS H H 1 8.145 . A 28 CYS HA H 1 4.131 . A 28 CYS HBx H 1 2.971 . A 28 CYS HBy H 1 2.971 . A 28 CYS C C 13 176.521 . A 28 CYS CA C 13 63.711 . A 28 CYS CB C 13 26.601 . A 28 CYS N N 15 120.060 . A 29 ALA H H 1 8.342 . A 29 ALA HA H 1 4.210 . A 29 ALA HB% H 1 1.483 . A 29 ALA C C 13 179.659 . A 29 ALA CA C 13 54.894 . A 29 ALA CB C 13 17.701 . A 29 ALA N N 15 122.930 . A 30 ALA H H 1 7.676 . A 30 ALA HA H 1 4.225 . A 30 ALA HB% H 1 1.455 . A 30 ALA C C 13 180.452 . A 30 ALA CA C 13 54.960 . A 30 ALA CB C 13 17.749 . A 30 ALA N N 15 121.235 . A 31 PHE H H 1 8.086 . A 31 PHE HA H 1 4.341 . A 31 PHE HBx H 1 3.245 . A 31 PHE HBy H 1 3.245 . A 31 PHE HDx H 1 6.745 . A 31 PHE HDy H 1 6.745 . A 31 PHE HEx H 1 7.246 . A 31 PHE HEy H 1 7.246 . A 31 PHE C C 13 177.355 . A 31 PHE CA C 13 61.019 . A 31 PHE CB C 13 39.314 . A 31 PHE CDx C 13 133.575 . A 31 PHE CDy C 13 133.575 . A 31 PHE CEx C 13 132.321 . A 31 PHE CEy C 13 132.321 . A 31 PHE N N 15 121.297 . A 32 GLU H H 1 8.417 . A 32 GLU HA H 1 3.784 . A 32 GLU HBx H 1 2.091 . A 32 GLU HBy H 1 2.204 . A 32 GLU HGx H 1 2.469 . A 32 GLU HGy H 1 2.469 . A 32 GLU C C 13 178.906 . A 32 GLU CA C 13 59.944 . A 32 GLU CB C 13 28.943 . A 32 GLU CG C 13 36.694 . A 32 GLU N N 15 119.861 . A 33 LYS H H 1 7.491 . A 33 LYS HA H 1 4.044 . A 33 LYS HBx H 1 1.917 . A 33 LYS HBy H 1 1.917 . A 33 LYS HDx H 1 1.620 . A 33 LYS HDy H 1 1.620 . A 33 LYS HGx H 1 1.408 . A 33 LYS HGy H 1 1.408 . A 33 LYS C C 13 179.471 . A 33 LYS CA C 13 59.397 . A 33 LYS CB C 13 32.231 . A 33 LYS CD C 13 29.582 . A 33 LYS CE C 13 42.246 . A 33 LYS CG C 13 25.419 . A 33 LYS N N 15 118.133 . A 34 GLU H H 1 7.699 . A 34 GLU HA H 1 4.117 . A 34 GLU HBx H 1 2.063 . A 34 GLU HBy H 1 2.063 . A 34 GLU HGx H 1 2.302 . A 34 GLU HGy H 1 2.302 . A 34 GLU C C 13 179.955 . A 34 GLU CA C 13 59.516 . A 34 GLU CB C 13 29.463 . A 34 GLU CG C 13 36.228 . A 34 GLU N N 15 121.763 . A 35 ILE H H 1 8.120 . A 35 ILE HA H 1 3.783 . A 35 ILE HB H 1 1.665 . A 35 ILE HD1% H 1 0.696 . A 35 ILE HG1x H 1 1.491 . A 35 ILE HG1y H 1 1.491 . A 35 ILE HG2% H 1 0.856 . A 35 ILE C C 13 177.219 . A 35 ILE CA C 13 63.961 . A 35 ILE CB C 13 37.656 . A 35 ILE CD1 C 13 13.728 . A 35 ILE CG1 C 13 28.854 . A 35 ILE CG2 C 13 18.278 . A 35 ILE N N 15 121.167 . A 36 ALA H H 1 8.161 . A 36 ALA HA H 1 4.346 . A 36 ALA HB% H 1 1.476 . A 36 ALA C C 13 180.915 . A 36 ALA CA C 13 55.004 . A 36 ALA CB C 13 17.760 . A 36 ALA N N 15 124.132 . A 37 ALA H H 1 7.887 . A 37 ALA HA H 1 4.190 . A 37 ALA HB% H 1 1.476 . A 37 ALA C C 13 180.126 . A 37 ALA CA C 13 55.040 . A 37 ALA CB C 13 17.600 . A 37 ALA N N 15 121.980 . A 38 PHE H H 1 7.751 . A 38 PHE HA H 1 4.193 . A 38 PHE HBy H 1 3.356 . A 38 PHE HBx H 1 3.143 . A 38 PHE HDx H 1 7.053 . A 38 PHE HDy H 1 7.053 . A 38 PHE HEx H 1 7.143 . A 38 PHE HEy H 1 7.143 . A 38 PHE C C 13 177.044 . A 38 PHE CA C 13 61.485 . A 38 PHE CB C 13 39.077 . A 38 PHE CDx C 13 133.808 . A 38 PHE CDy C 13 133.808 . A 38 PHE CEx C 13 131.555 . A 38 PHE CEy C 13 131.555 . A 38 PHE N N 15 121.517 . A 39 GLU H H 1 8.746 . A 39 GLU HA H 1 3.638 . A 39 GLU HBx H 1 2.291 . A 39 GLU HBy H 1 2.291 . A 39 GLU HGy H 1 2.550 . A 39 GLU HGx H 1 2.081 . A 39 GLU C C 13 179.591 . A 39 GLU CA C 13 60.421 . A 39 GLU CB C 13 29.862 . A 39 GLU CG C 13 37.828 . A 39 GLU N N 15 118.815 . A 40 SER H H 1 8.171 . A 40 SER HA H 1 4.176 . A 40 SER HBx H 1 3.995 . A 40 SER HBy H 1 3.995 . A 40 SER C C 13 177.354 . A 40 SER CA C 13 61.771 . A 40 SER CB C 13 62.786 . A 40 SER N N 15 115.384 . A 41 GLU H H 1 7.819 . A 41 GLU HA H 1 4.073 . A 41 GLU HBx H 1 2.153 . A 41 GLU HBy H 1 2.153 . A 41 GLU HGx H 1 2.527 . A 41 GLU HGy H 1 2.527 . A 41 GLU C C 13 179.360 . A 41 GLU CA C 13 59.510 . A 41 GLU CB C 13 29.521 . A 41 GLU CG C 13 36.855 . A 41 GLU N N 15 123.650 . A 42 LEU H H 1 7.816 . A 42 LEU HA H 1 3.767 . A 42 LEU HBy H 1 1.458 . A 42 LEU HBx H 1 1.352 . A 42 LEU HDx% H 1 0.291 . A 42 LEU HDy% H 1 0.456 . A 42 LEU HG H 1 1.245 . A 42 LEU C C 13 179.152 . A 42 LEU CA C 13 56.964 . A 42 LEU CB C 13 41.492 . A 42 LEU CDx C 13 23.534 . A 42 LEU CDy C 13 25.260 . A 42 LEU CG C 13 25.441 . A 42 LEU N N 15 119.352 . A 43 GLN H H 1 7.785 . A 43 GLN HA H 1 3.958 . A 43 GLN HBx H 1 2.140 . A 43 GLN HBy H 1 2.140 . A 43 GLN HGx H 1 2.470 . A 43 GLN HGy H 1 2.470 . A 43 GLN C C 13 177.081 . A 43 GLN CA C 13 58.165 . A 43 GLN CB C 13 28.207 . A 43 GLN CG C 13 33.852 . A 43 GLN N N 15 118.423 . A 44 ALA H H 1 7.380 . A 44 ALA HA H 1 4.161 . A 44 ALA HB% H 1 1.366 . A 44 ALA C C 13 177.823 . A 44 ALA CA C 13 53.156 . A 44 ALA CB C 13 18.425 . A 44 ALA N N 15 120.300 . A 45 TYR H H 1 7.438 . A 45 TYR HA H 1 4.373 . A 45 TYR HBx H 1 3.026 . A 45 TYR HBy H 1 3.131 . A 45 TYR HDx H 1 7.128 . A 45 TYR HDy H 1 7.128 . A 45 TYR HEx H 1 7.013 . A 45 TYR HEy H 1 7.013 . A 45 TYR C C 13 176.018 . A 45 TYR CA C 13 58.749 . A 45 TYR CB C 13 38.797 . A 45 TYR CDx C 13 133.850 . A 45 TYR CDy C 13 133.850 . A 45 TYR CEx C 13 117.511 . A 45 TYR CEy C 13 117.511 . A 45 TYR N N 15 118.887 . A 46 LYS H H 1 7.884 . A 46 LYS HA H 1 4.186 . A 46 LYS HBx H 1 1.802 . A 46 LYS HBy H 1 1.802 . A 46 LYS HDx H 1 1.596 . A 46 LYS HDy H 1 1.596 . A 46 LYS HEx H 1 2.962 . A 46 LYS HEy H 1 2.962 . A 46 LYS HGx H 1 1.319 . A 46 LYS HGy H 1 1.319 . A 46 LYS C C 13 176.900 . A 46 LYS CA C 13 56.718 . A 46 LYS CB C 13 32.774 . A 46 LYS CD C 13 29.062 . A 46 LYS CE C 13 44.251 . A 46 LYS CG C 13 24.471 . A 46 LYS N N 15 124.177 . A 47 GLY H H 1 7.662 . A 47 GLY HAy H 1 4.189 . A 47 GLY HAx H 1 3.901 . A 47 GLY C C 13 174.029 . A 47 GLY CA C 13 45.597 . A 47 GLY N N 15 109.590 . A 48 LYS H H 1 8.049 . A 48 LYS HA H 1 3.921 . A 48 LYS HBx H 1 1.802 . A 48 LYS HBy H 1 1.802 . A 48 LYS HDx H 1 1.596 . A 48 LYS HDy H 1 1.596 . A 48 LYS HGx H 1 1.319 . A 48 LYS HGy H 1 1.319 . A 48 LYS C C 13 177.262 . A 48 LYS CA C 13 56.345 . A 48 LYS CB C 13 32.878 . A 48 LYS CD C 13 29.062 . A 48 LYS CG C 13 24.471 . A 48 LYS N N 15 120.521 . A 49 GLY H H 1 8.604 . A 49 GLY HAy H 1 4.320 . A 49 GLY HAx H 1 3.962 . A 49 GLY C C 13 173.842 . A 49 GLY CA C 13 45.585 . A 49 GLY N N 15 110.678 . A 50 ASN H H 1 8.045 . A 50 ASN HA H 1 4.956 . A 50 ASN HBy H 1 2.794 . A 50 ASN HBx H 1 2.751 . A 50 ASN C C 13 177.904 . A 50 ASN CA C 13 51.649 . A 50 ASN CB C 13 38.943 . A 50 ASN N N 15 120.298 . A 51 PRO HA H 1 4.272 . A 51 PRO HBx H 1 1.951 . A 51 PRO HBy H 1 2.315 . A 51 PRO HDy H 1 3.909 . A 51 PRO HDx H 1 3.823 . A 51 PRO HGy H 1 1.970 . A 51 PRO HGx H 1 1.576 . A 51 PRO C C 13 178.931 . A 51 PRO CA C 13 65.109 . A 51 PRO CB C 13 31.834 . A 51 PRO CD C 13 50.878 . A 51 PRO CG C 13 27.299 . A 52 GLU H H 1 8.344 . A 52 GLU HA H 1 4.059 . A 52 GLU HBx H 1 1.636 . A 52 GLU HBy H 1 1.636 . A 52 GLU HGx H 1 2.096 . A 52 GLU HGy H 1 2.096 . A 52 GLU C C 13 178.805 . A 52 GLU CA C 13 59.173 . A 52 GLU CB C 13 28.685 . A 52 GLU CG C 13 36.586 . A 52 GLU N N 15 119.291 . A 53 VAL H H 1 7.304 . A 53 VAL HA H 1 3.502 . A 53 VAL HB H 1 1.975 . A 53 VAL HGx% H 1 0.499 . A 53 VAL HGy% H 1 0.798 . A 53 VAL C C 13 177.587 . A 53 VAL CA C 13 65.946 . A 53 VAL CB C 13 31.475 . A 53 VAL CGy C 13 22.906 . A 53 VAL CGx C 13 21.302 . A 53 VAL N N 15 120.013 . A 54 GLU H H 1 7.820 . A 54 GLU HA H 1 4.048 . A 54 GLU HBx H 1 1.987 . A 54 GLU HBy H 1 1.987 . A 54 GLU HGx H 1 2.283 . A 54 GLU HGy H 1 2.283 . A 54 GLU C C 13 178.910 . A 54 GLU CA C 13 58.857 . A 54 GLU CB C 13 28.699 . A 54 GLU CG C 13 35.728 . A 54 GLU N N 15 119.848 . A 55 ALA H H 1 7.701 . A 55 ALA HA H 1 4.145 . A 55 ALA HB% H 1 1.509 . A 55 ALA C C 13 180.920 . A 55 ALA CA C 13 55.259 . A 55 ALA CB C 13 17.800 . A 55 ALA N N 15 121.463 . A 56 LEU H H 1 7.656 . A 56 LEU HA H 1 4.145 . A 56 LEU HBy H 1 2.056 . A 56 LEU HBx H 1 1.549 . A 56 LEU HDx% H 1 0.896 . A 56 LEU HDy% H 1 0.896 . A 56 LEU HG H 1 1.970 . A 56 LEU C C 13 178.721 . A 56 LEU CA C 13 57.899 . A 56 LEU CB C 13 42.198 . A 56 LEU CDx C 13 24.576 . A 56 LEU CDy C 13 24.576 . A 56 LEU CG C 13 27.299 . A 56 LEU N N 15 120.343 . A 57 ARG H H 1 8.350 . A 57 ARG HA H 1 3.821 . A 57 ARG HBx H 1 1.940 . A 57 ARG HBy H 1 1.940 . A 57 ARG HDx H 1 3.125 . A 57 ARG HDy H 1 3.125 . A 57 ARG HGx H 1 1.559 . A 57 ARG HGy H 1 1.796 . A 57 ARG C C 13 179.667 . A 57 ARG CA C 13 60.187 . A 57 ARG CB C 13 29.185 . A 57 ARG CD C 13 41.905 . A 57 ARG CG C 13 28.163 . A 57 ARG N N 15 119.950 . A 58 LYS H H 1 7.989 . A 58 LYS HA H 1 4.030 . A 58 LYS HBx H 1 1.917 . A 58 LYS HBy H 1 1.917 . A 58 LYS HDx H 1 1.599 . A 58 LYS HDy H 1 1.599 . A 58 LYS HGx H 1 1.403 . A 58 LYS HGy H 1 1.403 . A 58 LYS C C 13 179.448 . A 58 LYS CA C 13 59.578 . A 58 LYS CB C 13 32.369 . A 58 LYS CD C 13 27.956 . A 58 LYS CE C 13 42.246 . A 58 LYS CG C 13 25.661 . A 58 LYS N N 15 120.501 . A 59 GLU H H 1 7.891 . A 59 GLU HA H 1 4.144 . A 59 GLU HBx H 1 2.100 . A 59 GLU HBy H 1 2.100 . A 59 GLU HGx H 1 2.372 . A 59 GLU HGy H 1 2.372 . A 59 GLU C C 13 178.877 . A 59 GLU CA C 13 59.419 . A 59 GLU CB C 13 29.233 . A 59 GLU CG C 13 36.269 . A 60 ALA H H 1 8.480 . A 60 ALA HA H 1 3.936 . A 60 ALA HB% H 1 1.513 . A 60 ALA C C 13 178.379 . A 60 ALA CA C 13 54.894 . A 60 ALA CB C 13 17.528 . A 60 ALA N N 15 122.069 . A 61 ALA H H 1 7.702 . A 61 ALA HA H 1 4.145 . A 61 ALA HB% H 1 1.509 . A 61 ALA C C 13 178.579 . A 61 ALA CA C 13 55.440 . A 61 ALA CB C 13 18.166 . A 61 ALA N N 15 121.446 . A 62 ALA H H 1 7.818 . A 62 ALA HA H 1 4.032 . A 62 ALA HB% H 1 1.494 . A 62 ALA C C 13 180.829 . A 62 ALA CA C 13 54.795 . A 62 ALA CB C 13 17.672 . A 62 ALA N N 15 119.705 . A 63 ILE H H 1 7.876 . A 63 ILE HA H 1 3.851 . A 63 ILE HB H 1 1.954 . A 63 ILE HD1% H 1 0.797 . A 63 ILE HG1x H 1 1.061 . A 63 ILE HG1y H 1 1.061 . A 63 ILE HG2% H 1 0.993 . A 63 ILE C C 13 178.076 . A 63 ILE CA C 13 64.688 . A 63 ILE CB C 13 37.955 . A 63 ILE CD1 C 13 14.807 . A 63 ILE CG1 C 13 29.126 . A 63 ILE CG2 C 13 18.094 . A 63 ILE N N 15 121.021 . A 64 ARG H H 1 8.023 . A 64 ARG HA H 1 3.891 . A 64 ARG HBx H 1 1.858 . A 64 ARG HBy H 1 2.063 . A 64 ARG HDx H 1 3.150 . A 64 ARG HDy H 1 3.150 . A 64 ARG HGx H 1 1.585 . A 64 ARG HGy H 1 1.714 . A 64 ARG C C 13 178.617 . A 64 ARG CA C 13 60.327 . A 64 ARG CB C 13 29.322 . A 64 ARG CD C 13 43.392 . A 64 ARG CG C 13 28.683 . A 64 ARG N N 15 121.460 . A 65 ASP H H 1 8.046 . A 65 ASP HA H 1 4.385 . A 65 ASP HBx H 1 2.662 . A 65 ASP HBy H 1 2.763 . A 65 ASP C C 13 178.827 . A 65 ASP CA C 13 57.313 . A 65 ASP CB C 13 40.363 . A 65 ASP N N 15 119.343 . A 66 GLU H H 1 7.931 . A 66 GLU HA H 1 4.038 . A 66 GLU HBx H 1 2.153 . A 66 GLU HBy H 1 2.153 . A 66 GLU HGx H 1 2.338 . A 66 GLU HGy H 1 2.338 . A 66 GLU C C 13 178.410 . A 66 GLU CA C 13 58.893 . A 66 GLU CB C 13 29.476 . A 66 GLU CG C 13 36.379 . A 66 GLU N N 15 121.291 . A 67 CYS H H 1 8.009 . A 67 CYS HA H 1 4.199 . A 67 CYS HBx H 1 3.035 . A 67 CYS HBy H 1 3.035 . A 67 CYS C C 13 176.095 . A 67 CYS CA C 13 61.485 . A 67 CYS CB C 13 27.011 . A 67 CYS N N 15 117.825 . A 68 GLN H H 1 7.906 . A 68 GLN HA H 1 4.117 . A 68 GLN HBx H 1 2.140 . A 68 GLN HBy H 1 2.140 . A 68 GLN HGx H 1 2.470 . A 68 GLN HGy H 1 2.470 . A 68 GLN C C 13 177.110 . A 68 GLN CA C 13 57.454 . A 68 GLN CB C 13 28.348 . A 68 GLN CG C 13 33.852 . A 68 GLN N N 15 118.847 . A 69 ALA H H 1 7.648 . A 69 ALA HA H 1 4.103 . A 69 ALA HB% H 1 1.301 . A 69 ALA C C 13 178.367 . A 69 ALA CA C 13 53.682 . A 69 ALA CB C 13 18.196 . A 69 ALA N N 15 122.260 . A 70 TYR H H 1 7.541 . A 70 TYR HA H 1 4.410 . A 70 TYR HBx H 1 2.988 . A 70 TYR HBy H 1 3.077 . A 70 TYR HDx H 1 7.127 . A 70 TYR HDy H 1 7.127 . A 70 TYR HEx H 1 7.003 . A 70 TYR HEy H 1 7.003 . A 70 TYR C C 13 176.061 . A 70 TYR CA C 13 58.456 . A 70 TYR CB C 13 38.211 . A 70 TYR CDx C 13 133.555 . A 70 TYR CDy C 13 133.555 . A 70 TYR CEx C 13 117.562 . A 70 TYR CEy C 13 117.562 . A 70 TYR N N 15 117.039 . A 71 ARG H H 1 7.541 . A 71 ARG HA H 1 4.244 . A 71 ARG HBy H 1 1.782 . A 71 ARG HBx H 1 1.716 . A 71 ARG HDx H 1 3.150 . A 71 ARG HDy H 1 3.150 . A 71 ARG HGx H 1 1.550 . A 71 ARG HGy H 1 1.550 . A 71 ARG C C 13 175.759 . A 71 ARG CA C 13 56.020 . A 71 ARG CB C 13 30.629 . A 71 ARG CD C 13 43.392 . A 71 ARG CG C 13 27.169 . A 71 ARG N N 15 120.503 . A 72 HIS H H 1 8.126 . A 72 HIS HA H 1 4.664 . A 72 HIS HBx H 1 3.129 . A 72 HIS HBy H 1 3.233 . A 72 HIS HD2 H 1 7.155 . A 72 HIS HE1 H 1 8.057 . A 72 HIS C C 13 173.738 . A 72 HIS CA C 13 55.393 . A 72 HIS CB C 13 29.761 . A 72 HIS CE1 C 13 137.693 . A 72 HIS N N 15 120.119 . A 73 ASN H H 1 8.067 . A 73 ASN HA H 1 4.466 . A 73 ASN HBy H 1 2.768 . A 73 ASN HBx H 1 2.663 . A 73 ASN C C 13 179.665 . A 73 ASN CA C 13 54.771 . A 73 ASN CB C 13 40.180 . A 73 ASN N N 15 125.879 . 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 4 TRP H A 4 TRP HA 1.0 . 3.0 2 2 A 4 TRP HD1 A 4 TRP HBy 1.0 . 4.0 3 2 A 4 TRP HBx A 4 TRP HD1 1.0 . 4.0 4 3 A 4 TRP HA A 4 TRP HBy 1.0 . 3.0 5 3 A 4 TRP HA A 4 TRP HBx 1.0 . 3.0 6 4 A 4 TRP HA A 4 TRP HD1 1.0 . 4.5 7 5 A 4 TRP H A 5 ALA H 1.0 . 3.0 8 6 A 5 ALA HB% A 4 TRP HBy 1.0 . 5.0 9 6 A 4 TRP HBx A 5 ALA HB% 1.0 . 5.0 10 7 A 4 TRP HBy A 56 LEU HDx% 1.0 . 6.0 11 7 A 4 TRP HBx A 56 LEU HDx% 1.0 . 6.0 12 7 A 56 LEU HDy% A 4 TRP HBy 1.0 . 6.0 13 7 A 4 TRP HBx A 56 LEU HDy% 1.0 . 6.0 14 8 A 4 TRP HE3 A 52 GLU HBy 1.0 . 5.5 15 8 A 4 TRP HE3 A 52 GLU HBx 1.0 . 5.5 16 9 A 4 TRP HA A 56 LEU HDx% 1.0 . 7.0 17 9 A 4 TRP HA A 56 LEU HDy% 1.0 . 7.0 18 10 A 4 TRP HBx A 52 GLU HGx 1.0 . 7.0 19 10 A 4 TRP HBy A 52 GLU HGx 1.0 . 7.0 20 10 A 52 GLU HGy A 4 TRP HBy 1.0 . 7.0 21 10 A 4 TRP HBx A 52 GLU HGy 1.0 . 7.0 22 11 A 4 TRP HBy A 52 GLU HBy 1.0 . 7.0 23 11 A 4 TRP HBx A 52 GLU HBy 1.0 . 7.0 24 11 A 52 GLU HBx A 4 TRP HBy 1.0 . 7.0 25 11 A 4 TRP HBx A 52 GLU HBx 1.0 . 7.0 26 12 A 4 TRP HE3 A 54 GLU H 1.0 . 7.0 27 13 A 54 GLU H A 4 TRP HH2 1.0 . 7.0 28 14 A 54 GLU H A 4 TRP HZ3 1.0 . 7.0 29 15 A 4 TRP HA A 7 PHE HBx 1.0 . 4.5 30 15 A 4 TRP HA A 7 PHE HBy 1.0 . 4.5 31 16 A 4 TRP HD1 A 5 ALA H 1.0 . 5.0 32 17 A 4 TRP H A 6 GLU H 1.0 . 4.5 33 18 A 4 TRP HA A 6 GLU H 1.0 . 4.5 34 19 A 4 TRP HA A 7 PHE H 1.0 . 3.5 35 20 A 4 TRP HD1 A 8 LYS HA 1.0 . 6.0 36 21 A 4 TRP HZ3 A 8 LYS HDx 1.0 . 6.0 37 21 A 4 TRP HZ3 A 8 LYS HDy 1.0 . 6.0 38 22 A 4 TRP HZ2 A 8 LYS HDx 1.0 . 6.0 39 22 A 8 LYS HDy A 4 TRP HZ2 1.0 . 6.0 40 23 A 4 TRP HZ2 A 8 LYS HGx 1.0 . 6.0 41 23 A 4 TRP HZ2 A 8 LYS HGy 1.0 . 6.0 42 24 A 4 TRP HD1 A 8 LYS HEx 1.0 . 6.0 43 24 A 4 TRP HD1 A 8 LYS HEy 1.0 . 6.0 44 25 A 5 ALA H A 5 ALA HB% 1.0 . 3.5 45 26 A 5 ALA H A 5 ALA HA 1.0 . 3.0 46 27 A 4 TRP HA A 5 ALA H 1.0 . 4.0 47 28 A 5 ALA H A 5 ALA HB% 1.0 . 3.5 48 29 A 5 ALA H A 8 LYS H 1.0 . 6.0 49 30 A 5 ALA HB% A 6 GLU N 1.0 . 4.3 50 31 A 5 ALA H A 6 GLU H 1.0 . 3.0 51 32 A 5 ALA H A 7 PHE H 1.0 . 4.5 52 33 A 5 ALA HA A 8 LYS H 1.0 . 3.5 53 34 A 5 ALA HA A 8 LYS HBy 1.0 . 4.5 54 34 A 5 ALA HA A 8 LYS HBx 1.0 . 4.5 55 35 A 6 GLU H A 6 GLU HA 1.0 . 3.0 56 36 A 6 GLU H A 6 GLU HBx 1.0 . 3.5 57 36 A 6 GLU H A 6 GLU HBy 1.0 . 3.5 58 37 A 6 GLU HA A 6 GLU HBx 1.0 . 3.0 59 37 A 6 GLU HA A 6 GLU HBy 1.0 . 3.0 60 38 A 6 GLU HA A 6 GLU HGy 1.0 . 3.5 61 38 A 6 GLU HA A 6 GLU HGx 1.0 . 3.5 62 39 A 6 GLU HBx A 6 GLU HGy 1.0 . 3.0 63 39 A 6 GLU HBy A 6 GLU HGy 1.0 . 3.0 64 39 A 6 GLU HGx A 6 GLU HBx 1.0 . 3.0 65 39 A 6 GLU HBy A 6 GLU HGx 1.0 . 3.0 66 40 A 5 ALA H A 6 GLU H 1.0 . 3.0 67 41 A 7 PHE H A 6 GLU HBx 1.0 . 4.3 68 41 A 7 PHE H A 6 GLU HBy 1.0 . 4.3 69 42 A 6 GLU H A 8 LYS H 1.0 . 4.5 70 43 A 6 GLU H A 9 GLN H 1.0 . 5.5 71 44 A 6 GLU H A 7 PHE H 1.0 . 3.0 72 45 A 6 GLU HA A 9 GLN H 1.0 . 3.5 73 46 A 6 GLU HA A 9 GLN HBx 1.0 . 4.5 74 46 A 6 GLU HA A 9 GLN HBy 1.0 . 4.5 75 47 A 7 PHE H A 7 PHE HA 1.0 . 3.0 76 48 A 7 PHE H A 7 PHE HD% 1.0 . 5.5 77 49 A 7 PHE HA A 7 PHE HBx 1.0 . 3.0 78 49 A 7 PHE HBy A 7 PHE HA 1.0 . 3.0 79 50 A 7 PHE HE% A 7 PHE HBx 1.0 . 5.5 80 50 A 7 PHE HBy A 7 PHE HE% 1.0 . 5.5 81 51 A 7 PHE HD% A 7 PHE HBx 1.0 . 3.5 82 51 A 7 PHE HBy A 7 PHE HD% 1.0 . 3.5 83 52 A 7 PHE H A 7 PHE HBx 1.0 . 3.5 84 52 A 7 PHE HBy A 7 PHE H 1.0 . 3.5 85 53 A 7 PHE H A 8 LYS H 1.0 . 3.0 86 54 A 7 PHE H A 6 GLU HA 1.0 . 4.0 87 55 A 7 PHE HA A 10 ARG HBx 1.0 . 4.5 88 55 A 7 PHE HA A 10 ARG HBy 1.0 . 4.5 89 56 A 7 PHE HA A 10 ARG HGx 1.0 . 5.0 90 56 A 7 PHE HA A 10 ARG HGy 1.0 . 5.0 91 57 A 8 LYS H A 7 PHE HBx 1.0 . 4.3 92 57 A 7 PHE HBy A 8 LYS H 1.0 . 4.3 93 58 A 7 PHE HA A 11 LEU HDx% 1.0 . 5.0 94 58 A 7 PHE HA A 11 LEU HDy% 1.0 . 5.0 95 59 A 7 PHE HA A 10 ARG HDy 1.0 . 5.0 96 59 A 7 PHE HA A 10 ARG HDx 1.0 . 5.0 97 60 A 7 PHE H A 56 LEU HDx% 1.0 . 7.0 98 60 A 56 LEU HDy% A 7 PHE H 1.0 . 7.0 99 61 A 7 PHE HBx A 56 LEU HDx% 1.0 . 6.0 100 61 A 7 PHE HBy A 56 LEU HDx% 1.0 . 6.0 101 61 A 56 LEU HDy% A 7 PHE HBx 1.0 . 6.0 102 61 A 56 LEU HDy% A 7 PHE HBy 1.0 . 6.0 103 62 A 8 LYS H A 7 PHE HE% 1.0 . 7.0 104 62 A 8 LYS H A 7 PHE HD% 1.0 . 7.0 105 63 A 7 PHE H A 9 GLN H 1.0 . 4.5 106 64 A 9 GLN H A 7 PHE HA 1.0 . 4.5 107 65 A 9 GLN H A 7 PHE HE% 1.0 . 6.0 108 65 A 9 GLN H A 7 PHE HD% 1.0 . 6.0 109 66 A 7 PHE HA A 10 ARG H 1.0 . 4.0 110 67 A 7 PHE HD% A 42 LEU H 1.0 . 7.0 111 68 A 7 PHE HE% A 42 LEU H 1.0 . 6.0 112 69 A 42 LEU H A 7 PHE HZ 1.0 . 5.0 113 70 A 7 PHE HD% A 42 LEU HDy% 1.0 . 6.0 114 70 A 7 PHE HD% A 42 LEU HDx% 1.0 . 6.0 115 71 A 7 PHE HE% A 42 LEU HDy% 1.0 . 6.0 116 71 A 7 PHE HE% A 42 LEU HDx% 1.0 . 6.0 117 72 A 7 PHE HE% A 53 VAL HA 1.0 . 7.0 118 72 A 7 PHE HD% A 53 VAL HA 1.0 . 7.0 119 73 A 7 PHE HBx A 53 VAL HGy% 1.0 . 7.0 120 73 A 53 VAL HGx% A 7 PHE HBx 1.0 . 7.0 121 73 A 7 PHE HBy A 53 VAL HGx% 1.0 . 7.0 122 73 A 7 PHE HBy A 53 VAL HGy% 1.0 . 7.0 123 74 A 7 PHE HE% A 53 VAL HGx% 1.0 . 7.0 124 74 A 7 PHE HE% A 53 VAL HGy% 1.0 . 7.0 125 74 A 7 PHE HD% A 53 VAL HGx% 1.0 . 7.0 126 74 A 7 PHE HD% A 53 VAL HGy% 1.0 . 7.0 127 75 A 7 PHE HD% A 56 LEU HDx% 1.0 . 6.0 128 75 A 56 LEU HDy% A 7 PHE HD% 1.0 . 6.0 129 76 A 7 PHE HE% A 56 LEU HDx% 1.0 . 7.0 130 76 A 56 LEU HDy% A 7 PHE HE% 1.0 . 7.0 131 77 A 8 LYS HA A 8 LYS H 1.0 . 3.0 132 78 A 8 LYS H A 8 LYS HEx 1.0 . 5.5 133 78 A 8 LYS HEy A 8 LYS H 1.0 . 5.5 134 79 A 8 LYS H A 8 LYS HGx 1.0 . 4.5 135 79 A 8 LYS HGy A 8 LYS H 1.0 . 4.5 136 80 A 8 LYS HA A 8 LYS HBy 1.0 . 3.0 137 80 A 8 LYS HA A 8 LYS HBx 1.0 . 3.0 138 81 A 8 LYS HA A 8 LYS HGx 1.0 . 3.5 139 81 A 8 LYS HA A 8 LYS HGy 1.0 . 3.5 140 82 A 8 LYS HBx A 8 LYS HEx 1.0 . 4.0 141 82 A 8 LYS HBy A 8 LYS HEx 1.0 . 4.0 142 82 A 8 LYS HEy A 8 LYS HBy 1.0 . 4.0 143 82 A 8 LYS HEy A 8 LYS HBx 1.0 . 4.0 144 83 A 8 LYS HBx A 8 LYS HGx 1.0 . 3.0 145 83 A 8 LYS HBy A 8 LYS HGx 1.0 . 3.0 146 83 A 8 LYS HGy A 8 LYS HBy 1.0 . 3.0 147 83 A 8 LYS HGy A 8 LYS HBx 1.0 . 3.0 148 84 A 8 LYS H A 8 LYS HBy 1.0 . 3.0 149 84 A 8 LYS H A 8 LYS HBx 1.0 . 3.0 150 85 A 8 LYS HEy A 8 LYS HGx 1.0 . 3.5 151 85 A 8 LYS HEx A 8 LYS HGx 1.0 . 3.5 152 85 A 8 LYS HGy A 8 LYS HEx 1.0 . 3.5 153 85 A 8 LYS HGy A 8 LYS HEy 1.0 . 3.5 154 86 A 8 LYS HBx A 8 LYS HDx 1.0 . 3.5 155 86 A 8 LYS HBy A 8 LYS HDx 1.0 . 3.5 156 86 A 8 LYS HDy A 8 LYS HBy 1.0 . 3.5 157 86 A 8 LYS HDy A 8 LYS HBx 1.0 . 3.5 158 87 A 8 LYS HDy A 8 LYS HEx 1.0 . 3.0 159 87 A 8 LYS HDx A 8 LYS HEx 1.0 . 3.0 160 87 A 8 LYS HEy A 8 LYS HDx 1.0 . 3.0 161 87 A 8 LYS HDy A 8 LYS HEy 1.0 . 3.0 162 88 A 8 LYS HA A 8 LYS HDx 1.0 . 4.5 163 88 A 8 LYS HA A 8 LYS HDy 1.0 . 4.5 164 89 A 8 LYS HDx A 8 LYS HGx 1.0 . 3.0 165 89 A 8 LYS HDy A 8 LYS HGx 1.0 . 3.0 166 89 A 8 LYS HGy A 8 LYS HDx 1.0 . 3.0 167 89 A 8 LYS HDy A 8 LYS HGy 1.0 . 3.0 168 90 A 8 LYS H A 9 GLN HBx 1.0 . 5.0 169 90 A 8 LYS H A 9 GLN HBy 1.0 . 5.0 170 91 A 8 LYS H A 7 PHE HA 1.0 . 4.0 171 92 A 8 LYS HA A 10 ARG HDy 1.0 . 6.0 172 92 A 8 LYS HA A 10 ARG HDx 1.0 . 6.0 173 93 A 8 LYS H A 56 LEU HDx% 1.0 . 7.0 174 93 A 56 LEU HDy% A 8 LYS H 1.0 . 7.0 175 94 A 8 LYS HA A 56 LEU HDx% 1.0 . 6.0 176 94 A 56 LEU HDy% A 8 LYS HA 1.0 . 6.0 177 95 A 8 LYS H A 9 GLN H 1.0 . 3.0 178 96 A 9 GLN H A 8 LYS HBy 1.0 . 4.3 179 96 A 8 LYS HBx A 9 GLN H 1.0 . 4.3 180 97 A 9 GLN HA A 8 LYS HBy 1.0 . 5.0 181 97 A 8 LYS HBx A 9 GLN HA 1.0 . 5.0 182 98 A 8 LYS H A 10 ARG H 1.0 . 4.5 183 99 A 8 LYS HA A 11 LEU H 1.0 . 4.0 184 100 A 8 LYS HA A 11 LEU HBy 1.0 . 4.5 185 100 A 8 LYS HA A 11 LEU HBx 1.0 . 4.5 186 101 A 8 LYS HA A 11 LEU HDx% 1.0 . 5.0 187 101 A 8 LYS HA A 11 LEU HDy% 1.0 . 5.0 188 102 A 9 GLN H A 9 GLN HA 1.0 . 3.0 189 103 A 9 GLN H A 9 GLN HBx 1.0 . 3.0 190 103 A 9 GLN H A 9 GLN HBy 1.0 . 3.0 191 104 A 9 GLN HA A 9 GLN HBx 1.0 . 3.0 192 104 A 9 GLN HBy A 9 GLN HA 1.0 . 3.0 193 105 A 9 GLN HBy A 9 GLN HGx 1.0 . 3.0 194 105 A 9 GLN HGy A 9 GLN HBx 1.0 . 3.0 195 105 A 9 GLN HBy A 9 GLN HGy 1.0 . 3.0 196 105 A 9 GLN HBx A 9 GLN HGx 1.0 . 3.0 197 106 A 9 GLN H A 9 GLN HGx 1.0 . 4.5 198 106 A 9 GLN H A 9 GLN HGy 1.0 . 4.5 199 107 A 9 GLN HA A 9 GLN HGx 1.0 . 3.0 200 107 A 9 GLN HA A 9 GLN HGy 1.0 . 3.0 201 108 A 9 GLN H A 10 ARG H 1.0 . 3.0 202 109 A 9 GLN H A 11 LEU H 1.0 . 4.5 203 110 A 8 LYS HA A 9 GLN H 1.0 . 4.0 204 111 A 10 ARG H A 9 GLN HBx 1.0 . 4.3 205 111 A 9 GLN HBy A 10 ARG H 1.0 . 4.3 206 112 A 9 GLN HBy A 10 ARG HDy 1.0 . 5.5 207 112 A 10 ARG HDx A 9 GLN HBx 1.0 . 5.5 208 112 A 9 GLN HBy A 10 ARG HDx 1.0 . 5.5 209 112 A 9 GLN HBx A 10 ARG HDy 1.0 . 5.5 210 113 A 9 GLN HA A 11 LEU H 1.0 . 4.5 211 114 A 9 GLN HBy A 11 LEU HDx% 1.0 . 6.0 212 114 A 11 LEU HDy% A 9 GLN HBx 1.0 . 6.0 213 114 A 9 GLN HBy A 11 LEU HDy% 1.0 . 6.0 214 114 A 9 GLN HBx A 11 LEU HDx% 1.0 . 6.0 215 115 A 9 GLN HA A 12 ALA H 1.0 . 3.5 216 116 A 9 GLN HA A 12 ALA HB% 1.0 . 4.5 217 117 A 10 ARG H A 10 ARG HA 1.0 . 3.0 218 118 A 10 ARG H A 10 ARG HBx 1.0 . 3.5 219 118 A 10 ARG HBy A 10 ARG H 1.0 . 3.5 220 119 A 10 ARG H A 10 ARG HGx 1.0 . 4.5 221 119 A 10 ARG HGy A 10 ARG H 1.0 . 4.5 222 120 A 10 ARG HA A 10 ARG HDy 1.0 . 4.0 223 120 A 10 ARG HDx A 10 ARG HA 1.0 . 4.0 224 121 A 10 ARG HA A 10 ARG HGx 1.0 . 3.5 225 121 A 10 ARG HGy A 10 ARG HA 1.0 . 3.5 226 122 A 10 ARG HA A 10 ARG HBx 1.0 . 3.0 227 122 A 10 ARG HBy A 10 ARG HA 1.0 . 3.0 228 123 A 10 ARG HBx A 10 ARG HDy 1.0 . 3.5 229 123 A 10 ARG HBy A 10 ARG HDy 1.0 . 3.5 230 123 A 10 ARG HDx A 10 ARG HBx 1.0 . 3.5 231 123 A 10 ARG HBy A 10 ARG HDx 1.0 . 3.5 232 124 A 10 ARG HBy A 10 ARG HGx 1.0 . 3.0 233 124 A 10 ARG HBx A 10 ARG HGx 1.0 . 3.0 234 124 A 10 ARG HGy A 10 ARG HBx 1.0 . 3.0 235 124 A 10 ARG HBy A 10 ARG HGy 1.0 . 3.0 236 125 A 10 ARG HDy A 10 ARG HGx 1.0 . 3.0 237 125 A 10 ARG HDx A 10 ARG HGx 1.0 . 3.0 238 125 A 10 ARG HGy A 10 ARG HDy 1.0 . 3.0 239 125 A 10 ARG HGy A 10 ARG HDx 1.0 . 3.0 240 126 A 10 ARG H A 9 GLN HA 1.0 . 4.0 241 127 A 11 LEU H A 10 ARG HBx 1.0 . 4.3 242 127 A 10 ARG HBy A 11 LEU H 1.0 . 4.3 243 128 A 14 ILE HD1% A 10 ARG HBx 1.0 . 5.0 244 128 A 10 ARG HBy A 14 ILE HD1% 1.0 . 5.0 245 129 A 10 ARG H A 38 PHE HE% 1.0 . 7.0 246 130 A 10 ARG H A 38 PHE HZ 1.0 . 5.0 247 131 A 38 PHE HE% A 10 ARG HGx 1.0 . 5.0 248 131 A 10 ARG HGy A 38 PHE HE% 1.0 . 5.0 249 132 A 38 PHE HZ A 10 ARG HGx 1.0 . 4.5 250 132 A 10 ARG HGy A 38 PHE HZ 1.0 . 4.5 251 133 A 38 PHE HE% A 10 ARG HDy 1.0 . 6.0 252 133 A 10 ARG HDx A 38 PHE HE% 1.0 . 6.0 253 134 A 38 PHE HZ A 10 ARG HDy 1.0 . 5.0 254 134 A 10 ARG HDx A 38 PHE HZ 1.0 . 5.0 255 135 A 10 ARG H A 11 LEU H 1.0 . 3.0 256 136 A 10 ARG HBx A 11 LEU HDx% 1.0 . 5.0 257 136 A 10 ARG HBy A 11 LEU HDx% 1.0 . 5.0 258 136 A 11 LEU HDy% A 10 ARG HBx 1.0 . 5.0 259 136 A 10 ARG HBy A 11 LEU HDy% 1.0 . 5.0 260 137 A 12 ALA H A 10 ARG HA 1.0 . 4.5 261 138 A 10 ARG HA A 13 ALA H 1.0 . 3.5 262 139 A 10 ARG HA A 13 ALA HB% 1.0 . 4.5 263 140 A 11 LEU H A 11 LEU HA 1.0 . 3.0 264 141 A 11 LEU H A 11 LEU HBy 1.0 . 3.5 265 141 A 11 LEU H A 11 LEU HBx 1.0 . 3.5 266 142 A 11 LEU H A 11 LEU HDx% 1.0 . 6.0 267 142 A 11 LEU HDy% A 11 LEU H 1.0 . 6.0 268 143 A 11 LEU H A 11 LEU HG 1.0 . 5.0 269 144 A 11 LEU HA A 11 LEU HG 1.0 . 3.0 270 145 A 11 LEU HA A 11 LEU HDx% 1.0 . 4.0 271 145 A 11 LEU HDy% A 11 LEU HA 1.0 . 4.0 272 146 A 11 LEU HA A 11 LEU HBy 1.0 . 3.0 273 146 A 11 LEU HBx A 11 LEU HA 1.0 . 3.0 274 147 A 11 LEU HBx A 11 LEU HDx% 1.0 . 4.0 275 147 A 11 LEU HBy A 11 LEU HDx% 1.0 . 4.0 276 147 A 11 LEU HDy% A 11 LEU HBy 1.0 . 4.0 277 147 A 11 LEU HDy% A 11 LEU HBx 1.0 . 4.0 278 148 A 11 LEU HG A 11 LEU HBy 1.0 . 3.0 279 148 A 11 LEU HBx A 11 LEU HG 1.0 . 3.0 280 149 A 11 LEU HG A 11 LEU HDx% 1.0 . 3.0 281 149 A 11 LEU HDy% A 11 LEU HG 1.0 . 3.0 282 150 A 11 LEU H A 12 ALA H 1.0 . 3.0 283 151 A 11 LEU H A 10 ARG HA 1.0 . 4.0 284 152 A 11 LEU H A 13 ALA H 1.0 . 4.5 285 153 A 11 LEU HA A 14 ILE HB 1.0 . 4.5 286 154 A 12 ALA H A 11 LEU HBy 1.0 . 4.3 287 154 A 11 LEU HBx A 12 ALA H 1.0 . 4.3 288 155 A 14 ILE HD1% A 11 LEU HA 1.0 . 5.0 289 156 A 14 ILE HD1% A 11 LEU HBy 1.0 . 6.0 290 156 A 11 LEU HBx A 14 ILE HD1% 1.0 . 6.0 291 157 A 12 ALA HA A 11 LEU HDx% 1.0 . 6.0 292 157 A 11 LEU HDy% A 12 ALA HA 1.0 . 6.0 293 158 A 11 LEU H A 38 PHE HZ 1.0 . 4.5 294 159 A 11 LEU H A 38 PHE HE% 1.0 . 7.0 295 160 A 38 PHE HE% A 11 LEU HA 1.0 . 6.0 296 160 A 11 LEU HA A 38 PHE HD% 1.0 . 6.0 297 161 A 60 ALA HA A 11 LEU HDx% 1.0 . 6.0 298 161 A 11 LEU HDy% A 60 ALA HA 1.0 . 6.0 299 162 A 38 PHE HE% A 11 LEU HDx% 1.0 . 5.0 300 162 A 38 PHE HD% A 11 LEU HDx% 1.0 . 5.0 301 162 A 11 LEU HDy% A 38 PHE HD% 1.0 . 5.0 302 162 A 11 LEU HDy% A 38 PHE HE% 1.0 . 5.0 303 163 A 13 ALA H A 11 LEU HA 1.0 . 4.5 304 164 A 11 LEU HA A 14 ILE H 1.0 . 3.5 305 165 A 11 LEU HDy% A 56 LEU HDx% 1.0 . 5.0 306 165 A 11 LEU HDx% A 56 LEU HDx% 1.0 . 5.0 307 165 A 56 LEU HDy% A 11 LEU HDx% 1.0 . 5.0 308 165 A 56 LEU HDy% A 11 LEU HDy% 1.0 . 5.0 309 166 A 14 ILE HB A 11 LEU HDx% 1.0 . 5.0 310 166 A 11 LEU HDy% A 14 ILE HB 1.0 . 5.0 311 167 A 11 LEU HBy A 56 LEU HDx% 1.0 . 6.0 312 167 A 11 LEU HBx A 56 LEU HDx% 1.0 . 6.0 313 167 A 56 LEU HDy% A 11 LEU HBy 1.0 . 6.0 314 167 A 56 LEU HDy% A 11 LEU HBx 1.0 . 6.0 315 168 A 63 ILE HD1% A 11 LEU HDx% 1.0 . 5.0 316 168 A 11 LEU HDy% A 63 ILE HD1% 1.0 . 5.0 317 169 A 12 ALA H A 12 ALA HA 1.0 . 3.0 318 170 A 12 ALA H A 12 ALA HB% 1.0 . 3.5 319 171 A 12 ALA H A 14 ILE H 1.0 . 4.5 320 172 A 12 ALA H A 11 LEU HA 1.0 . 4.0 321 173 A 12 ALA HB% A 13 ALA H 1.0 . 4.3 322 174 A 12 ALA H A 13 ALA H 1.0 . 3.0 323 175 A 12 ALA HA A 14 ILE H 1.0 . 4.5 324 176 A 12 ALA HA A 15 LYS H 1.0 . 3.5 325 177 A 12 ALA HA A 15 LYS HBx 1.0 . 4.5 326 177 A 12 ALA HA A 15 LYS HBy 1.0 . 4.5 327 178 A 14 ILE H A 13 ALA HA 1.0 . 4.0 328 179 A 13 ALA H A 13 ALA HA 1.0 . 3.0 329 180 A 13 ALA H A 13 ALA HB% 1.0 . 3.5 330 181 A 13 ALA HB% A 13 ALA HA 1.0 . 3.0 331 182 A 13 ALA H A 12 ALA HA 1.0 . 4.0 332 183 A 13 ALA H A 14 ILE H 1.0 . 3.0 333 184 A 13 ALA H A 16 THR H 1.0 . 5.5 334 185 A 13 ALA HB% A 14 ILE H 1.0 . 4.3 335 186 A 13 ALA HA A 16 THR H 1.0 . 3.5 336 187 A 13 ALA HA A 16 THR HB 1.0 . 4.5 337 188 A 14 ILE H A 14 ILE HA 1.0 . 3.0 338 189 A 14 ILE HD1% A 14 ILE H 1.0 . 5.0 339 190 A 14 ILE H A 14 ILE HG2% 1.0 . 4.0 340 191 A 14 ILE HD1% A 14 ILE HA 1.0 . 5.0 341 192 A 14 ILE HB A 14 ILE HA 1.0 . 3.0 342 193 A 14 ILE HB A 14 ILE H 1.0 . 4.0 343 194 A 14 ILE HB A 14 ILE HG1x 1.0 . 3.0 344 194 A 14 ILE HB A 14 ILE HG1y 1.0 . 3.0 345 195 A 14 ILE HA A 14 ILE HG2% 1.0 . 4.0 346 196 A 14 ILE HB A 14 ILE HG2% 1.0 . 3.0 347 197 A 14 ILE HG2% A 14 ILE HG1x 1.0 . 3.5 348 197 A 14 ILE HG2% A 14 ILE HG1y 1.0 . 3.5 349 198 A 14 ILE H A 14 ILE HG1x 1.0 . 3.5 350 198 A 14 ILE H A 14 ILE HG1y 1.0 . 3.5 351 199 A 14 ILE HA A 14 ILE HG1x 1.0 . 3.0 352 199 A 14 ILE HA A 14 ILE HG1y 1.0 . 3.0 353 200 A 14 ILE HG2% A 14 ILE HG1x 1.0 . 3.5 354 200 A 14 ILE HG2% A 14 ILE HG1y 1.0 . 3.5 355 201 A 14 ILE HD1% A 14 ILE HG2% 1.0 . 4.0 356 202 A 14 ILE HD1% A 14 ILE HB 1.0 . 4.0 357 203 A 14 ILE HA A 17 ARG HBx 1.0 . 4.5 358 203 A 14 ILE HA A 17 ARG HBy 1.0 . 4.5 359 204 A 14 ILE HA A 17 ARG HDy 1.0 . 5.0 360 204 A 14 ILE HA A 17 ARG HDx 1.0 . 5.0 361 205 A 14 ILE HB A 15 LYS H 1.0 . 4.3 362 206 A 14 ILE HG2% A 17 ARG HGy 1.0 . 6.0 363 206 A 14 ILE HG2% A 17 ARG HGx 1.0 . 6.0 364 207 A 14 ILE HG2% A 15 LYS HA 1.0 . 5.0 365 208 A 11 LEU HA A 14 ILE HG2% 1.0 . 6.0 366 209 A 14 ILE H A 31 PHE HE% 1.0 . 7.0 367 209 A 14 ILE H A 31 PHE HD% 1.0 . 7.0 368 210 A 14 ILE HA A 31 PHE HE% 1.0 . 6.0 369 210 A 14 ILE HA A 31 PHE HD% 1.0 . 6.0 370 211 A 14 ILE HB A 35 ILE HD1% 1.0 . 5.0 371 212 A 14 ILE HG2% A 35 ILE HD1% 1.0 . 4.5 372 213 A 14 ILE HG2% A 31 PHE HE% 1.0 . 7.0 373 213 A 14 ILE HG2% A 31 PHE HD% 1.0 . 7.0 374 214 A 31 PHE HD% A 14 ILE HG1x 1.0 . 5.0 375 214 A 31 PHE HE% A 14 ILE HG1x 1.0 . 5.0 376 214 A 14 ILE HG1y A 31 PHE HE% 1.0 . 5.0 377 214 A 14 ILE HG1y A 31 PHE HD% 1.0 . 5.0 378 215 A 14 ILE HD1% A 38 PHE HE% 1.0 . 7.0 379 215 A 14 ILE HD1% A 38 PHE HD% 1.0 . 7.0 380 216 A 14 ILE HD1% A 34 GLU HBx 1.0 . 5.0 381 216 A 14 ILE HD1% A 34 GLU HBy 1.0 . 5.0 382 217 A 14 ILE HD1% A 34 GLU HGx 1.0 . 5.0 383 217 A 14 ILE HD1% A 34 GLU HGy 1.0 . 5.0 384 218 A 14 ILE HD1% A 35 ILE HA 1.0 . 6.0 385 219 A 14 ILE HD1% A 35 ILE HG1x 1.0 . 6.0 386 219 A 14 ILE HD1% A 35 ILE HG1y 1.0 . 6.0 387 220 A 14 ILE H A 15 LYS H 1.0 . 3.0 388 221 A 15 LYS H A 14 ILE HG2% 1.0 . 5.0 389 222 A 14 ILE H A 16 THR H 1.0 . 5.5 390 223 A 16 THR H A 14 ILE HA 1.0 . 4.5 391 224 A 17 ARG H A 14 ILE HG1x 1.0 . 6.0 392 224 A 14 ILE HG1y A 17 ARG H 1.0 . 6.0 393 225 A 14 ILE HA A 17 ARG H 1.0 . 4.0 394 226 A 14 ILE HG1y A 18 CYS HBx 1.0 . 6.0 395 226 A 14 ILE HG1x A 18 CYS HBx 1.0 . 6.0 396 226 A 18 CYS HBy A 14 ILE HG1x 1.0 . 6.0 397 226 A 14 ILE HG1y A 18 CYS HBy 1.0 . 6.0 398 227 A 14 ILE HD1% A 35 ILE HD1% 1.0 . 5.0 399 228 A 15 LYS H A 15 LYS HA 1.0 . 3.0 400 229 A 15 LYS H A 15 LYS HBx 1.0 . 3.0 401 229 A 15 LYS H A 15 LYS HBy 1.0 . 3.0 402 230 A 15 LYS H A 15 LYS HDx 1.0 . 6.0 403 230 A 15 LYS H A 15 LYS HDy 1.0 . 6.0 404 231 A 15 LYS H A 15 LYS HGx 1.0 . 4.5 405 231 A 15 LYS H A 15 LYS HGy 1.0 . 4.5 406 232 A 15 LYS HA A 15 LYS HDx 1.0 . 4.5 407 232 A 15 LYS HA A 15 LYS HDy 1.0 . 4.5 408 233 A 15 LYS HA A 15 LYS HEx 1.0 . 5.0 409 233 A 15 LYS HA A 15 LYS HEy 1.0 . 5.0 410 234 A 15 LYS HA A 15 LYS HBx 1.0 . 3.0 411 234 A 15 LYS HBy A 15 LYS HA 1.0 . 3.0 412 235 A 15 LYS HBy A 15 LYS HEx 1.0 . 4.0 413 235 A 15 LYS HBx A 15 LYS HEx 1.0 . 4.0 414 235 A 15 LYS HEy A 15 LYS HBx 1.0 . 4.0 415 235 A 15 LYS HBy A 15 LYS HEy 1.0 . 4.0 416 236 A 15 LYS HBx A 15 LYS HGx 1.0 . 3.0 417 236 A 15 LYS HBy A 15 LYS HGx 1.0 . 3.0 418 236 A 15 LYS HGy A 15 LYS HBx 1.0 . 3.0 419 236 A 15 LYS HBy A 15 LYS HGy 1.0 . 3.0 420 237 A 15 LYS HBx A 15 LYS HDx 1.0 . 3.5 421 237 A 15 LYS HBy A 15 LYS HDx 1.0 . 3.5 422 237 A 15 LYS HDy A 15 LYS HBx 1.0 . 3.5 423 237 A 15 LYS HBy A 15 LYS HDy 1.0 . 3.5 424 238 A 15 LYS HDy A 15 LYS HEx 1.0 . 3.0 425 238 A 15 LYS HDx A 15 LYS HEx 1.0 . 3.0 426 238 A 15 LYS HEy A 15 LYS HDx 1.0 . 3.0 427 238 A 15 LYS HDy A 15 LYS HEy 1.0 . 3.0 428 239 A 15 LYS HDx A 15 LYS HGx 1.0 . 3.0 429 239 A 15 LYS HDy A 15 LYS HGx 1.0 . 3.0 430 239 A 15 LYS HGy A 15 LYS HDx 1.0 . 3.0 431 239 A 15 LYS HDy A 15 LYS HGy 1.0 . 3.0 432 240 A 15 LYS H A 16 THR HA 1.0 . 6.0 433 241 A 15 LYS H A 14 ILE HA 1.0 . 4.0 434 242 A 15 LYS H A 16 THR H 1.0 . 3.0 435 243 A 16 THR H A 15 LYS HBx 1.0 . 4.3 436 243 A 15 LYS HBy A 16 THR H 1.0 . 4.3 437 244 A 15 LYS HA A 18 CYS HBx 1.0 . 4.5 438 244 A 15 LYS HA A 18 CYS HBy 1.0 . 4.5 439 245 A 15 LYS HBx A 19 GLN HBx 1.0 . 5.0 440 245 A 15 LYS HBy A 19 GLN HBx 1.0 . 5.0 441 245 A 19 GLN HBy A 15 LYS HBx 1.0 . 5.0 442 245 A 15 LYS HBy A 19 GLN HBy 1.0 . 5.0 443 246 A 15 LYS HGy A 18 CYS HBx 1.0 . 6.0 444 246 A 15 LYS HGx A 18 CYS HBx 1.0 . 6.0 445 246 A 18 CYS HBy A 15 LYS HGx 1.0 . 6.0 446 246 A 18 CYS HBy A 15 LYS HGy 1.0 . 6.0 447 247 A 19 GLN HA A 15 LYS HGx 1.0 . 6.0 448 247 A 15 LYS HGy A 19 GLN HA 1.0 . 6.0 449 248 A 63 ILE HD1% A 15 LYS HA 1.0 . 7.0 450 249 A 16 THR H A 15 LYS HGx 1.0 . 5.0 451 249 A 16 THR H A 15 LYS HGy 1.0 . 5.0 452 250 A 16 THR HG2% A 15 LYS HBx 1.0 . 6.0 453 250 A 15 LYS HBy A 16 THR HG2% 1.0 . 6.0 454 251 A 15 LYS H A 17 ARG H 1.0 . 4.5 455 252 A 15 LYS H A 17 ARG HDy 1.0 . 6.0 456 252 A 15 LYS H A 17 ARG HDx 1.0 . 6.0 457 253 A 15 LYS HA A 18 CYS H 1.0 . 3.5 458 254 A 63 ILE HD1% A 15 LYS HBx 1.0 . 7.0 459 254 A 63 ILE HD1% A 15 LYS HBy 1.0 . 7.0 460 255 A 16 THR H A 16 THR HA 1.0 . 3.0 461 256 A 16 THR H A 16 THR HB 1.0 . 3.0 462 257 A 16 THR HA A 16 THR HG2% 1.0 . 5.0 463 258 A 16 THR HB A 16 THR HA 1.0 . 3.0 464 259 A 16 THR HB A 16 THR HG2% 1.0 . 3.0 465 260 A 16 THR H A 16 THR HG2% 1.0 . 4.5 466 261 A 16 THR H A 18 CYS H 1.0 . 4.5 467 262 A 16 THR H A 15 LYS HA 1.0 . 4.0 468 263 A 16 THR H A 17 ARG H 1.0 . 3.0 469 264 A 16 THR H A 17 ARG HBx 1.0 . 5.0 470 264 A 16 THR H A 17 ARG HBy 1.0 . 5.0 471 265 A 16 THR HA A 19 GLN HGx 1.0 . 5.0 472 265 A 16 THR HA A 19 GLN HGy 1.0 . 5.0 473 266 A 16 THR HA A 19 GLN HBx 1.0 . 4.5 474 266 A 16 THR HA A 19 GLN HBy 1.0 . 4.5 475 267 A 17 ARG H A 16 THR HA 1.0 . 4.0 476 268 A 16 THR HA A 19 GLN H 1.0 . 3.5 477 269 A 16 THR HB A 17 ARG H 1.0 . 4.3 478 270 A 16 THR HG2% A 19 GLN HGx 1.0 . 5.0 479 270 A 16 THR HG2% A 19 GLN HGy 1.0 . 5.0 480 271 A 16 THR HG2% A 19 GLN H 1.0 . 5.0 481 272 A 16 THR HG2% A 17 ARG HGy 1.0 . 5.0 482 272 A 17 ARG HGx A 16 THR HG2% 1.0 . 5.0 483 273 A 16 THR HG2% A 18 CYS HBx 1.0 . 6.0 484 273 A 18 CYS HBy A 16 THR HG2% 1.0 . 6.0 485 274 A 16 THR HG2% A 19 GLN HBx 1.0 . 5.0 486 274 A 19 GLN HBy A 16 THR HG2% 1.0 . 5.0 487 275 A 17 ARG H A 16 THR HG2% 1.0 . 5.0 488 276 A 16 THR HA A 18 CYS H 1.0 . 4.5 489 277 A 17 ARG H A 17 ARG HA 1.0 . 3.0 490 278 A 17 ARG H A 17 ARG HGy 1.0 . 4.5 491 278 A 17 ARG HGx A 17 ARG H 1.0 . 4.5 492 279 A 17 ARG HA A 17 ARG HBx 1.0 . 3.0 493 279 A 17 ARG HBy A 17 ARG HA 1.0 . 3.0 494 280 A 17 ARG H A 17 ARG HBx 1.0 . 3.5 495 280 A 17 ARG HBy A 17 ARG H 1.0 . 3.5 496 281 A 17 ARG HBy A 17 ARG HGy 1.0 . 3.0 497 281 A 17 ARG HBx A 17 ARG HGy 1.0 . 3.0 498 281 A 17 ARG HGx A 17 ARG HBx 1.0 . 3.0 499 281 A 17 ARG HBy A 17 ARG HGx 1.0 . 3.0 500 282 A 17 ARG HA A 17 ARG HGy 1.0 . 3.5 501 282 A 17 ARG HGx A 17 ARG HA 1.0 . 3.5 502 283 A 17 ARG HDx A 17 ARG HGy 1.0 . 3.0 503 283 A 17 ARG HDy A 17 ARG HGy 1.0 . 3.0 504 283 A 17 ARG HGx A 17 ARG HDy 1.0 . 3.0 505 283 A 17 ARG HDx A 17 ARG HGx 1.0 . 3.0 506 284 A 17 ARG HBx A 17 ARG HDy 1.0 . 3.5 507 284 A 17 ARG HBy A 17 ARG HDy 1.0 . 3.5 508 284 A 17 ARG HDx A 17 ARG HBx 1.0 . 3.5 509 284 A 17 ARG HBy A 17 ARG HDx 1.0 . 3.5 510 285 A 17 ARG HA A 20 ALA HB% 1.0 . 4.5 511 286 A 18 CYS H A 17 ARG HBx 1.0 . 4.3 512 286 A 17 ARG HBy A 18 CYS H 1.0 . 4.3 513 287 A 18 CYS H A 17 ARG HA 1.0 . 4.0 514 288 A 17 ARG H A 31 PHE HD% 1.0 . 6.0 515 288 A 17 ARG H A 31 PHE HE% 1.0 . 6.0 516 289 A 17 ARG HGx A 31 PHE HE% 1.0 . 6.0 517 289 A 31 PHE HE% A 17 ARG HGy 1.0 . 6.0 518 289 A 17 ARG HGx A 31 PHE HD% 1.0 . 6.0 519 289 A 31 PHE HD% A 17 ARG HGy 1.0 . 6.0 520 290 A 17 ARG H A 18 CYS H 1.0 . 3.0 521 291 A 17 ARG HA A 18 CYS HBx 1.0 . 6.0 522 291 A 18 CYS HBy A 17 ARG HA 1.0 . 6.0 523 292 A 17 ARG HBx A 18 CYS HBx 1.0 . 5.0 524 292 A 18 CYS HBy A 17 ARG HBx 1.0 . 5.0 525 292 A 17 ARG HBy A 18 CYS HBy 1.0 . 5.0 526 292 A 17 ARG HBy A 18 CYS HBx 1.0 . 5.0 527 293 A 17 ARG H A 19 GLN H 1.0 . 4.5 528 294 A 19 GLN H A 17 ARG HA 1.0 . 4.5 529 295 A 17 ARG HA A 20 ALA H 1.0 . 3.5 530 296 A 18 CYS H A 18 CYS HA 1.0 . 3.0 531 297 A 18 CYS HA A 18 CYS HBx 1.0 . 3.0 532 297 A 18 CYS HBy A 18 CYS HA 1.0 . 3.0 533 298 A 18 CYS H A 18 CYS HBx 1.0 . 4.0 534 298 A 18 CYS HBy A 18 CYS H 1.0 . 4.0 535 299 A 19 GLN HA A 18 CYS H 1.0 . 6.0 536 300 A 18 CYS H A 21 LEU H 1.0 . 6.0 537 301 A 19 GLN H A 18 CYS HBx 1.0 . 4.3 538 301 A 18 CYS HBy A 19 GLN H 1.0 . 4.3 539 302 A 19 GLN H A 18 CYS HA 1.0 . 4.0 540 303 A 18 CYS HA A 21 LEU HDx% 1.0 . 5.0 541 303 A 18 CYS HA A 21 LEU HDy% 1.0 . 5.0 542 304 A 18 CYS HA A 21 LEU HG 1.0 . 6.0 543 305 A 19 GLN HA A 18 CYS HBx 1.0 . 5.0 544 305 A 18 CYS HBy A 19 GLN HA 1.0 . 5.0 545 306 A 18 CYS HBy A 19 GLN HBx 1.0 . 6.0 546 306 A 18 CYS HBx A 19 GLN HBx 1.0 . 6.0 547 306 A 19 GLN HBy A 18 CYS HBx 1.0 . 6.0 548 306 A 18 CYS HBy A 19 GLN HBy 1.0 . 6.0 549 307 A 18 CYS HBy A 21 LEU HDx% 1.0 . 6.0 550 307 A 18 CYS HBx A 21 LEU HDx% 1.0 . 6.0 551 307 A 21 LEU HDy% A 18 CYS HBx 1.0 . 6.0 552 307 A 18 CYS HBy A 21 LEU HDy% 1.0 . 6.0 553 308 A 18 CYS H A 31 PHE HE% 1.0 . 5.0 554 309 A 18 CYS H A 31 PHE HZ 1.0 . 4.5 555 310 A 31 PHE HE% A 18 CYS HBx 1.0 . 5.0 556 310 A 31 PHE HD% A 18 CYS HBx 1.0 . 5.0 557 310 A 18 CYS HBy A 31 PHE HD% 1.0 . 5.0 558 310 A 18 CYS HBy A 31 PHE HE% 1.0 . 5.0 559 311 A 18 CYS H A 19 GLN H 1.0 . 3.0 560 312 A 18 CYS HA A 21 LEU HBy 1.0 . 5.0 561 312 A 18 CYS HA A 21 LEU HBx 1.0 . 5.0 562 313 A 19 GLN HA A 19 GLN H 1.0 . 3.0 563 314 A 19 GLN H A 19 GLN HGx 1.0 . 3.0 564 314 A 19 GLN HGy A 19 GLN H 1.0 . 3.0 565 315 A 19 GLN HA A 19 GLN HBx 1.0 . 3.0 566 315 A 19 GLN HBy A 19 GLN HA 1.0 . 3.0 567 316 A 19 GLN H A 19 GLN HBx 1.0 . 3.0 568 316 A 19 GLN HBy A 19 GLN H 1.0 . 3.0 569 317 A 19 GLN HA A 19 GLN HGx 1.0 . 3.0 570 317 A 19 GLN HA A 19 GLN HGy 1.0 . 3.0 571 318 A 19 GLN HBx A 19 GLN HGx 1.0 . 3.0 572 318 A 19 GLN HGy A 19 GLN HBx 1.0 . 3.0 573 318 A 19 GLN HBy A 19 GLN HGy 1.0 . 3.0 574 318 A 19 GLN HBy A 19 GLN HGx 1.0 . 3.0 575 319 A 19 GLN H A 21 LEU H 1.0 . 4.5 576 320 A 20 ALA H A 19 GLN HBx 1.0 . 4.3 577 320 A 19 GLN HBy A 20 ALA H 1.0 . 4.3 578 321 A 19 GLN H A 20 ALA H 1.0 . 3.0 579 322 A 20 ALA HA A 19 GLN HBx 1.0 . 5.0 580 322 A 19 GLN HBy A 20 ALA HA 1.0 . 5.0 581 323 A 19 GLN HA A 21 LEU H 1.0 . 4.5 582 324 A 20 ALA H A 20 ALA HA 1.0 . 3.0 583 325 A 20 ALA HB% A 20 ALA H 1.0 . 3.5 584 326 A 20 ALA HB% A 20 ALA HA 1.0 . 3.0 585 327 A 19 GLN HA A 20 ALA H 1.0 . 4.0 586 328 A 20 ALA H A 21 LEU HA 1.0 . 6.0 587 329 A 20 ALA HB% A 21 LEU H 1.0 . 4.3 588 330 A 20 ALA H A 21 LEU H 1.0 . 3.0 589 331 A 20 ALA HB% A 22 GLY HAy 1.0 . 6.0 590 331 A 20 ALA HB% A 22 GLY HAx 1.0 . 6.0 591 332 A 21 LEU H A 21 LEU HA 1.0 . 3.0 592 333 A 21 LEU H A 21 LEU HDx% 1.0 . 6.0 593 333 A 21 LEU H A 21 LEU HDy% 1.0 . 6.0 594 334 A 21 LEU HA A 21 LEU HBy 1.0 . 3.0 595 334 A 21 LEU HBx A 21 LEU HA 1.0 . 3.0 596 335 A 21 LEU HBy A 21 LEU HDx% 1.0 . 4.0 597 335 A 21 LEU HDy% A 21 LEU HBy 1.0 . 4.0 598 335 A 21 LEU HDy% A 21 LEU HBx 1.0 . 4.0 599 335 A 21 LEU HBx A 21 LEU HDx% 1.0 . 4.0 600 336 A 21 LEU H A 21 LEU HBy 1.0 . 3.5 601 336 A 21 LEU H A 21 LEU HBx 1.0 . 3.5 602 337 A 21 LEU HG A 21 LEU HA 1.0 . 3.0 603 338 A 21 LEU HG A 21 LEU HDx% 1.0 . 3.0 604 338 A 21 LEU HDy% A 21 LEU HG 1.0 . 3.0 605 339 A 21 LEU H A 21 LEU HG 1.0 . 5.0 606 340 A 21 LEU HG A 21 LEU HBy 1.0 . 3.0 607 340 A 21 LEU HG A 21 LEU HBx 1.0 . 3.0 608 341 A 21 LEU HA A 21 LEU HDx% 1.0 . 4.0 609 341 A 21 LEU HDy% A 21 LEU HA 1.0 . 4.0 610 342 A 21 LEU H A 22 GLY H 1.0 . 3.0 611 343 A 21 LEU H A 20 ALA HA 1.0 . 4.0 612 344 A 21 LEU HA A 22 GLY H 1.0 . 4.0 613 345 A 21 LEU HA A 18 CYS HBx 1.0 . 5.5 614 345 A 18 CYS HBy A 21 LEU HA 1.0 . 5.5 615 346 A 70 TYR HD% A 21 LEU HBy 1.0 . 5.0 616 346 A 21 LEU HBx A 70 TYR HD% 1.0 . 5.0 617 347 A 21 LEU HDx% A 70 TYR HBx 1.0 . 5.0 618 347 A 21 LEU HDy% A 70 TYR HBx 1.0 . 5.0 619 347 A 70 TYR HBy A 21 LEU HDx% 1.0 . 5.0 620 347 A 21 LEU HDy% A 70 TYR HBy 1.0 . 5.0 621 348 A 70 TYR HD% A 21 LEU HDx% 1.0 . 4.0 622 348 A 21 LEU HDy% A 70 TYR HD% 1.0 . 4.0 623 349 A 21 LEU HDy% A 72 HIS HBx 1.0 . 7.0 624 349 A 21 LEU HDx% A 72 HIS HBx 1.0 . 7.0 625 349 A 72 HIS HBy A 21 LEU HDx% 1.0 . 7.0 626 349 A 21 LEU HDy% A 72 HIS HBy 1.0 . 7.0 627 350 A 22 GLY H A 21 LEU HBy 1.0 . 4.3 628 350 A 21 LEU HBx A 22 GLY H 1.0 . 4.3 629 351 A 22 GLY H A 21 LEU HDx% 1.0 . 5.0 630 351 A 21 LEU HDy% A 22 GLY H 1.0 . 5.0 631 352 A 21 LEU HA A 23 GLY H 1.0 . 4.5 632 353 A 22 GLY H A 22 GLY HAy 1.0 . 3.0 633 353 A 22 GLY HAx A 22 GLY H 1.0 . 3.0 634 354 A 22 GLY H A 23 GLY H 1.0 . 3.0 635 355 A 22 GLY H A 23 GLY HAx 1.0 . 5.0 636 355 A 22 GLY H A 23 GLY HAy 1.0 . 5.0 637 356 A 24 SER HA A 22 GLY HAy 1.0 . 6.5 638 356 A 22 GLY HAx A 24 SER HA 1.0 . 6.5 639 357 A 23 GLY H A 23 GLY HAx 1.0 . 3.0 640 357 A 23 GLY H A 23 GLY HAy 1.0 . 3.0 641 358 A 23 GLY H A 22 GLY HAy 1.0 . 4.0 642 358 A 22 GLY HAx A 23 GLY H 1.0 . 4.0 643 359 A 23 GLY H A 24 SER H 1.0 . 4.0 644 360 A 23 GLY HAy A 24 SER HBx 1.0 . 5.0 645 360 A 24 SER HBy A 23 GLY HAx 1.0 . 5.0 646 360 A 23 GLY HAy A 24 SER HBy 1.0 . 5.0 647 360 A 23 GLY HAx A 24 SER HBx 1.0 . 5.0 648 361 A 24 SER HA A 24 SER H 1.0 . 3.0 649 362 A 24 SER H A 24 SER HBx 1.0 . 3.5 650 362 A 24 SER H A 24 SER HBy 1.0 . 3.5 651 363 A 24 SER HA A 24 SER HBx 1.0 . 3.0 652 363 A 24 SER HA A 24 SER HBy 1.0 . 3.0 653 364 A 24 SER H A 27 GLU HBx 1.0 . 5.0 654 364 A 24 SER H A 27 GLU HBy 1.0 . 5.0 655 365 A 24 SER H A 27 GLU HGx 1.0 . 5.0 656 365 A 24 SER H A 27 GLU HGy 1.0 . 5.0 657 366 A 24 SER H A 26 ALA H 1.0 . 5.0 658 367 A 24 SER H A 28 CYS H 1.0 . 6.0 659 368 A 24 SER H A 23 GLY HAx 1.0 . 4.0 660 368 A 23 GLY HAy A 24 SER H 1.0 . 4.0 661 369 A 24 SER H A 25 GLU HA 1.0 . 5.0 662 370 A 24 SER HA A 27 GLU HBx 1.0 . 4.5 663 370 A 24 SER HA A 27 GLU HBy 1.0 . 4.5 664 371 A 24 SER HBx A 27 GLU HBx 1.0 . 5.0 665 371 A 24 SER HBy A 27 GLU HBx 1.0 . 5.0 666 371 A 27 GLU HBy A 24 SER HBx 1.0 . 5.0 667 371 A 24 SER HBy A 27 GLU HBy 1.0 . 5.0 668 372 A 24 SER HBy A 25 GLU HGx 1.0 . 4.0 669 372 A 24 SER HBx A 25 GLU HGx 1.0 . 4.0 670 372 A 25 GLU HGy A 24 SER HBx 1.0 . 4.0 671 372 A 24 SER HBy A 25 GLU HGy 1.0 . 4.0 672 373 A 25 GLU HA A 24 SER HBx 1.0 . 5.0 673 373 A 24 SER HBy A 25 GLU HA 1.0 . 5.0 674 374 A 28 CYS HA A 24 SER HBx 1.0 . 6.0 675 374 A 24 SER HBy A 28 CYS HA 1.0 . 6.0 676 375 A 25 GLU H A 24 SER HBx 1.0 . 4.3 677 375 A 24 SER HBy A 25 GLU H 1.0 . 4.3 678 376 A 24 SER HA A 25 GLU HA 1.0 . 5.0 679 377 A 24 SER H A 27 GLU H 1.0 . 5.5 680 378 A 24 SER HA A 27 GLU H 1.0 . 5.0 681 379 A 24 SER HBx A 27 GLU HGx 1.0 . 5.0 682 379 A 24 SER HBy A 27 GLU HGx 1.0 . 5.0 683 379 A 27 GLU HGy A 24 SER HBx 1.0 . 5.0 684 379 A 24 SER HBy A 27 GLU HGy 1.0 . 5.0 685 380 A 25 GLU HA A 25 GLU H 1.0 . 3.0 686 381 A 25 GLU H A 25 GLU HGx 1.0 . 3.5 687 381 A 25 GLU HGy A 25 GLU H 1.0 . 3.5 688 382 A 25 GLU HA A 25 GLU HBx 1.0 . 3.0 689 382 A 25 GLU HA A 25 GLU HBy 1.0 . 3.0 690 383 A 25 GLU HA A 25 GLU HGx 1.0 . 3.5 691 383 A 25 GLU HA A 25 GLU HGy 1.0 . 3.5 692 384 A 24 SER HA A 25 GLU H 1.0 . 4.0 693 385 A 25 GLU HA A 28 CYS HBx 1.0 . 4.5 694 385 A 25 GLU HA A 28 CYS HBy 1.0 . 4.5 695 386 A 26 ALA H A 25 GLU HGx 1.0 . 5.0 696 386 A 26 ALA H A 25 GLU HGy 1.0 . 5.0 697 387 A 25 GLU H A 26 ALA HB% 1.0 . 5.0 698 388 A 28 CYS H A 25 GLU HA 1.0 . 5.0 699 389 A 26 ALA H A 26 ALA HA 1.0 . 3.0 700 390 A 26 ALA H A 25 GLU HA 1.0 . 4.0 701 391 A 26 ALA H A 26 ALA HB% 1.0 . 3.5 702 392 A 26 ALA H A 27 GLU H 1.0 . 3.0 703 393 A 26 ALA HA A 29 ALA H 1.0 . 3.5 704 394 A 26 ALA HA A 29 ALA HB% 1.0 . 4.5 705 395 A 27 GLU H A 26 ALA HB% 1.0 . 4.3 706 396 A 26 ALA H A 27 GLU HGx 1.0 . 5.0 707 396 A 27 GLU HGy A 26 ALA H 1.0 . 5.0 708 397 A 28 CYS H A 26 ALA HA 1.0 . 4.5 709 398 A 26 ALA H A 27 GLU H 1.0 . 3.0 710 399 A 27 GLU H A 27 GLU HBx 1.0 . 3.5 711 399 A 27 GLU HBy A 27 GLU H 1.0 . 3.5 712 400 A 27 GLU H A 27 GLU HGx 1.0 . 3.5 713 400 A 27 GLU HGy A 27 GLU H 1.0 . 3.5 714 401 A 27 GLU HA A 27 GLU HBx 1.0 . 3.0 715 401 A 27 GLU HBy A 27 GLU HA 1.0 . 3.0 716 402 A 27 GLU HBx A 27 GLU HGx 1.0 . 3.0 717 402 A 27 GLU HBy A 27 GLU HGx 1.0 . 3.0 718 402 A 27 GLU HGy A 27 GLU HBx 1.0 . 3.0 719 402 A 27 GLU HBy A 27 GLU HGy 1.0 . 3.0 720 403 A 27 GLU HA A 27 GLU HGx 1.0 . 3.5 721 403 A 27 GLU HGy A 27 GLU HA 1.0 . 3.5 722 404 A 27 GLU H A 29 ALA HB% 1.0 . 6.0 723 405 A 27 GLU H A 26 ALA HA 1.0 . 4.0 724 406 A 28 CYS H A 27 GLU HBx 1.0 . 4.3 725 406 A 27 GLU HBy A 28 CYS H 1.0 . 4.3 726 407 A 31 PHE HD% A 27 GLU HBx 1.0 . 6.0 727 407 A 27 GLU HBy A 31 PHE HD% 1.0 . 6.0 728 408 A 31 PHE HE% A 27 GLU HBx 1.0 . 6.0 729 408 A 31 PHE HE% A 27 GLU HBy 1.0 . 6.0 730 409 A 31 PHE HD% A 27 GLU HGx 1.0 . 6.0 731 409 A 27 GLU HGy A 31 PHE HD% 1.0 . 6.0 732 410 A 31 PHE HE% A 27 GLU HGx 1.0 . 6.0 733 410 A 31 PHE HE% A 27 GLU HGy 1.0 . 6.0 734 411 A 28 CYS H A 27 GLU H 1.0 . 3.0 735 412 A 28 CYS H A 27 GLU HGx 1.0 . 5.0 736 412 A 27 GLU HGy A 28 CYS H 1.0 . 5.0 737 413 A 27 GLU HBy A 28 CYS HBx 1.0 . 5.0 738 413 A 28 CYS HBy A 27 GLU HBx 1.0 . 5.0 739 413 A 27 GLU HBy A 28 CYS HBy 1.0 . 5.0 740 413 A 27 GLU HBx A 28 CYS HBx 1.0 . 5.0 741 414 A 27 GLU H A 29 ALA H 1.0 . 4.5 742 415 A 29 ALA H A 27 GLU HA 1.0 . 4.5 743 416 A 27 GLU H A 30 ALA H 1.0 . 5.5 744 417 A 27 GLU HA A 30 ALA H 1.0 . 3.5 745 418 A 27 GLU HA A 30 ALA HB% 1.0 . 4.5 746 419 A 27 GLU HA A 31 PHE H 1.0 . 4.5 747 420 A 27 GLU HBx A 31 PHE HBx 1.0 . 6.0 748 420 A 31 PHE HBy A 27 GLU HBx 1.0 . 6.0 749 420 A 27 GLU HBy A 31 PHE HBy 1.0 . 6.0 750 420 A 27 GLU HBy A 31 PHE HBx 1.0 . 6.0 751 421 A 28 CYS H A 28 CYS HA 1.0 . 3.0 752 422 A 28 CYS H A 28 CYS HBx 1.0 . 3.5 753 422 A 28 CYS H A 28 CYS HBy 1.0 . 3.5 754 423 A 28 CYS HA A 28 CYS HBx 1.0 . 3.0 755 423 A 28 CYS HA A 28 CYS HBy 1.0 . 3.0 756 424 A 28 CYS H A 27 GLU HA 1.0 . 4.0 757 425 A 28 CYS H A 29 ALA H 1.0 . 3.0 758 426 A 28 CYS H A 29 ALA HB% 1.0 . 5.0 759 427 A 31 PHE HE% A 28 CYS HA 1.0 . 4.0 760 427 A 28 CYS HA A 31 PHE HD% 1.0 . 4.0 761 428 A 28 CYS HA A 31 PHE HBx 1.0 . 4.5 762 428 A 28 CYS HA A 31 PHE HBy 1.0 . 4.5 763 429 A 28 CYS HBy A 31 PHE HD% 1.0 . 6.0 764 429 A 31 PHE HE% A 28 CYS HBy 1.0 . 6.0 765 429 A 31 PHE HD% A 28 CYS HBx 1.0 . 6.0 766 429 A 31 PHE HE% A 28 CYS HBx 1.0 . 6.0 767 430 A 29 ALA H A 28 CYS HBx 1.0 . 4.3 768 430 A 28 CYS HBy A 29 ALA H 1.0 . 4.3 769 431 A 28 CYS H A 30 ALA H 1.0 . 4.5 770 432 A 28 CYS HA A 30 ALA H 1.0 . 5.0 771 433 A 28 CYS HA A 31 PHE H 1.0 . 4.0 772 434 A 28 CYS HBy A 71 ARG HDx 1.0 . 4.0 773 434 A 28 CYS HBx A 71 ARG HDx 1.0 . 4.0 774 434 A 71 ARG HDy A 28 CYS HBx 1.0 . 4.0 775 434 A 28 CYS HBy A 71 ARG HDy 1.0 . 4.0 776 435 A 18 CYS HA A 28 CYS HBx 1.0 . 5.5 777 435 A 18 CYS HA A 28 CYS HBy 1.0 . 5.5 778 436 A 29 ALA H A 29 ALA HB% 1.0 . 3.5 779 437 A 29 ALA H A 30 ALA H 1.0 . 3.0 780 438 A 29 ALA H A 31 PHE H 1.0 . 4.5 781 439 A 29 ALA HA A 32 GLU HBx 1.0 . 4.5 782 439 A 29 ALA HA A 32 GLU HBy 1.0 . 4.5 783 440 A 29 ALA HB% A 30 ALA H 1.0 . 4.3 784 441 A 29 ALA HA A 32 GLU H 1.0 . 3.5 785 442 A 29 ALA H A 32 GLU H 1.0 . 5.5 786 443 A 29 ALA HA A 33 LYS HDx 1.0 . 5.0 787 443 A 29 ALA HA A 33 LYS HDy 1.0 . 5.0 788 444 A 28 CYS HA A 29 ALA H 1.0 . 4.0 789 445 A 29 ALA H A 29 ALA HA 1.0 . 3.0 790 446 A 30 ALA H A 30 ALA HB% 1.0 . 3.5 791 447 A 30 ALA H A 31 PHE HBx 1.0 . 5.0 792 447 A 30 ALA H A 31 PHE HBy 1.0 . 5.0 793 448 A 30 ALA H A 32 GLU H 1.0 . 4.5 794 449 A 30 ALA HB% A 31 PHE H 1.0 . 4.3 795 450 A 30 ALA HA A 33 LYS HBx 1.0 . 4.5 796 450 A 30 ALA HA A 33 LYS HBy 1.0 . 4.5 797 451 A 30 ALA H A 31 PHE H 1.0 . 3.0 798 452 A 30 ALA HA A 31 PHE HBx 1.0 . 6.0 799 452 A 31 PHE HBy A 30 ALA HA 1.0 . 6.0 800 453 A 30 ALA HB% A 31 PHE HBx 1.0 . 5.0 801 453 A 30 ALA HB% A 31 PHE HBy 1.0 . 5.0 802 454 A 30 ALA HB% A 32 GLU H 1.0 . 5.0 803 455 A 30 ALA HA A 33 LYS H 1.0 . 4.0 804 456 A 30 ALA H A 29 ALA HA 1.0 . 4.0 805 457 A 30 ALA H A 30 ALA HA 1.0 . 3.0 806 458 A 30 ALA H A 30 ALA HB% 1.0 . 3.5 807 459 A 31 PHE H A 31 PHE HBx 1.0 . 3.5 808 459 A 31 PHE H A 31 PHE HBy 1.0 . 3.5 809 460 A 31 PHE HD% A 31 PHE H 1.0 . 5.5 810 461 A 31 PHE HE% A 31 PHE H 1.0 . 6.5 811 462 A 31 PHE HD% A 31 PHE HA 1.0 . 3.5 812 463 A 31 PHE HA A 31 PHE HBx 1.0 . 3.0 813 463 A 31 PHE HBy A 31 PHE HA 1.0 . 3.0 814 464 A 31 PHE HBx A 32 GLU HBx 1.0 . 6.0 815 464 A 31 PHE HBy A 32 GLU HBx 1.0 . 6.0 816 464 A 32 GLU HBy A 31 PHE HBx 1.0 . 6.0 817 464 A 31 PHE HBy A 32 GLU HBy 1.0 . 6.0 818 465 A 32 GLU H A 31 PHE HBx 1.0 . 4.3 819 465 A 31 PHE HBy A 32 GLU H 1.0 . 4.3 820 466 A 31 PHE H A 32 GLU H 1.0 . 3.0 821 467 A 31 PHE HD% A 32 GLU H 1.0 . 5.0 822 468 A 31 PHE HBy A 33 LYS HBx 1.0 . 6.0 823 468 A 31 PHE HBx A 33 LYS HBx 1.0 . 6.0 824 468 A 33 LYS HBy A 31 PHE HBx 1.0 . 6.0 825 468 A 31 PHE HBy A 33 LYS HBy 1.0 . 6.0 826 469 A 31 PHE HA A 34 GLU HBx 1.0 . 4.5 827 469 A 34 GLU HBy A 31 PHE HA 1.0 . 4.5 828 470 A 31 PHE HA A 34 GLU H 1.0 . 4.0 829 471 A 31 PHE HE% A 63 ILE HA 1.0 . 7.0 830 471 A 31 PHE HD% A 63 ILE HA 1.0 . 7.0 831 472 A 31 PHE HE% A 63 ILE HG2% 1.0 . 6.0 832 472 A 31 PHE HD% A 63 ILE HG2% 1.0 . 6.0 833 473 A 63 ILE HD1% A 31 PHE HE% 1.0 . 7.0 834 473 A 63 ILE HD1% A 31 PHE HD% 1.0 . 7.0 835 474 A 31 PHE HD% A 67 CYS HBx 1.0 . 5.5 836 474 A 31 PHE HE% A 67 CYS HBy 1.0 . 5.5 837 474 A 31 PHE HD% A 67 CYS HBy 1.0 . 5.5 838 474 A 31 PHE HE% A 67 CYS HBx 1.0 . 5.5 839 475 A 31 PHE H A 30 ALA HA 1.0 . 4.0 840 476 A 31 PHE H A 31 PHE HA 1.0 . 3.0 841 477 A 31 PHE HD% A 31 PHE HA 1.0 . 3.5 842 478 A 32 GLU H A 32 GLU HGx 1.0 . 4.0 843 478 A 32 GLU H A 32 GLU HGy 1.0 . 4.0 844 479 A 32 GLU HA A 32 GLU HBx 1.0 . 3.0 845 479 A 32 GLU HBy A 32 GLU HA 1.0 . 3.0 846 480 A 32 GLU H A 32 GLU HBx 1.0 . 3.5 847 480 A 32 GLU HBy A 32 GLU H 1.0 . 3.5 848 481 A 32 GLU HA A 32 GLU HGx 1.0 . 3.5 849 481 A 32 GLU HGy A 32 GLU HA 1.0 . 3.5 850 482 A 32 GLU HBx A 32 GLU HGx 1.0 . 3.0 851 482 A 32 GLU HBy A 32 GLU HGx 1.0 . 3.0 852 482 A 32 GLU HGy A 32 GLU HBx 1.0 . 3.0 853 482 A 32 GLU HBy A 32 GLU HGy 1.0 . 3.0 854 483 A 32 GLU H A 33 LYS H 1.0 . 3.0 855 484 A 32 GLU HA A 34 GLU HBx 1.0 . 6.0 856 484 A 34 GLU HBy A 32 GLU HA 1.0 . 6.0 857 485 A 33 LYS H A 32 GLU HBx 1.0 . 4.3 858 485 A 32 GLU HBy A 33 LYS H 1.0 . 4.3 859 486 A 32 GLU H A 34 GLU H 1.0 . 4.5 860 487 A 32 GLU HA A 35 ILE H 1.0 . 4.0 861 488 A 32 GLU HA A 35 ILE HB 1.0 . 4.5 862 489 A 32 GLU H A 31 PHE HA 1.0 . 4.0 863 490 A 32 GLU H A 32 GLU HA 1.0 . 3.0 864 491 A 33 LYS H A 33 LYS HBx 1.0 . 3.0 865 491 A 33 LYS HBy A 33 LYS H 1.0 . 3.0 866 492 A 33 LYS H A 33 LYS HDx 1.0 . 6.0 867 492 A 33 LYS HDy A 33 LYS H 1.0 . 6.0 868 493 A 33 LYS H A 33 LYS HGx 1.0 . 4.5 869 493 A 33 LYS H A 33 LYS HGy 1.0 . 4.5 870 494 A 33 LYS HA A 33 LYS HBx 1.0 . 3.0 871 494 A 33 LYS HBy A 33 LYS HA 1.0 . 3.0 872 495 A 33 LYS HBx A 33 LYS HDx 1.0 . 3.5 873 495 A 33 LYS HBy A 33 LYS HDx 1.0 . 3.5 874 495 A 33 LYS HDy A 33 LYS HBx 1.0 . 3.5 875 495 A 33 LYS HDy A 33 LYS HBy 1.0 . 3.5 876 496 A 33 LYS HBy A 33 LYS HEx 1.0 . 4.0 877 496 A 33 LYS HEy A 33 LYS HBx 1.0 . 4.0 878 496 A 33 LYS HBy A 33 LYS HEy 1.0 . 4.0 879 496 A 33 LYS HBx A 33 LYS HEx 1.0 . 4.0 880 497 A 33 LYS HBx A 33 LYS HGx 1.0 . 3.0 881 497 A 33 LYS HBy A 33 LYS HGx 1.0 . 3.0 882 497 A 33 LYS HGy A 33 LYS HBx 1.0 . 3.0 883 497 A 33 LYS HBy A 33 LYS HGy 1.0 . 3.0 884 498 A 33 LYS HEy A 33 LYS HGx 1.0 . 3.5 885 498 A 33 LYS HEx A 33 LYS HGx 1.0 . 3.5 886 498 A 33 LYS HGy A 33 LYS HEx 1.0 . 3.5 887 498 A 33 LYS HGy A 33 LYS HEy 1.0 . 3.5 888 499 A 33 LYS HDy A 33 LYS HGx 1.0 . 3.0 889 499 A 33 LYS HGy A 33 LYS HDx 1.0 . 3.0 890 499 A 33 LYS HDy A 33 LYS HGy 1.0 . 3.0 891 499 A 33 LYS HDx A 33 LYS HGx 1.0 . 3.0 892 500 A 33 LYS HA A 33 LYS HGx 1.0 . 3.5 893 500 A 33 LYS HGy A 33 LYS HA 1.0 . 3.5 894 501 A 33 LYS HA A 33 LYS HDx 1.0 . 4.5 895 501 A 33 LYS HDy A 33 LYS HA 1.0 . 4.5 896 502 A 33 LYS HDy A 33 LYS HEx 1.0 . 3.0 897 502 A 33 LYS HDx A 33 LYS HEx 1.0 . 3.0 898 502 A 33 LYS HEy A 33 LYS HDx 1.0 . 3.0 899 502 A 33 LYS HDy A 33 LYS HEy 1.0 . 3.0 900 503 A 33 LYS H A 34 GLU HBx 1.0 . 5.0 901 503 A 34 GLU HBy A 33 LYS H 1.0 . 5.0 902 504 A 34 GLU HA A 33 LYS HBx 1.0 . 5.0 903 504 A 33 LYS HBy A 34 GLU HA 1.0 . 5.0 904 505 A 33 LYS HA A 36 ALA HB% 1.0 . 4.5 905 506 A 34 GLU H A 33 LYS HBx 1.0 . 4.3 906 506 A 33 LYS HBy A 34 GLU H 1.0 . 4.3 907 507 A 33 LYS H A 34 GLU H 1.0 . 3.0 908 508 A 35 ILE H A 33 LYS HA 1.0 . 4.5 909 509 A 33 LYS HA A 36 ALA H 1.0 . 3.5 910 510 A 33 LYS H A 32 GLU HA 1.0 . 4.0 911 511 A 33 LYS H A 33 LYS HA 1.0 . 3.0 912 512 A 34 GLU HA A 34 GLU HBx 1.0 . 3.0 913 512 A 34 GLU HBy A 34 GLU HA 1.0 . 3.0 914 513 A 34 GLU HA A 37 ALA HB% 1.0 . 4.5 915 514 A 34 GLU H A 34 GLU HBx 1.0 . 3.5 916 514 A 34 GLU HBy A 34 GLU H 1.0 . 3.5 917 515 A 35 ILE H A 34 GLU HBx 1.0 . 4.3 918 515 A 34 GLU HBy A 35 ILE H 1.0 . 4.3 919 516 A 34 GLU HBx A 34 GLU HGx 1.0 . 3.0 920 516 A 34 GLU HBy A 34 GLU HGx 1.0 . 3.0 921 516 A 34 GLU HGy A 34 GLU HBx 1.0 . 3.0 922 516 A 34 GLU HBy A 34 GLU HGy 1.0 . 3.0 923 517 A 34 GLU H A 34 GLU HGx 1.0 . 3.5 924 517 A 34 GLU HGy A 34 GLU H 1.0 . 3.5 925 518 A 34 GLU HA A 34 GLU HGx 1.0 . 3.5 926 518 A 34 GLU HGy A 34 GLU HA 1.0 . 3.5 927 519 A 34 GLU H A 35 ILE H 1.0 . 3.0 928 520 A 35 ILE HG2% A 34 GLU HBx 1.0 . 5.0 929 520 A 34 GLU HBy A 35 ILE HG2% 1.0 . 5.0 930 521 A 35 ILE HD1% A 34 GLU HBx 1.0 . 6.0 931 521 A 35 ILE HD1% A 34 GLU HBy 1.0 . 6.0 932 522 A 34 GLU H A 36 ALA H 1.0 . 4.5 933 523 A 34 GLU HA A 36 ALA H 1.0 . 4.5 934 524 A 34 GLU HA A 37 ALA H 1.0 . 4.0 935 525 A 34 GLU H A 33 LYS HA 1.0 . 4.0 936 526 A 34 GLU H A 34 GLU HA 1.0 . 3.0 937 527 A 35 ILE H A 35 ILE HG1x 1.0 . 3.5 938 527 A 35 ILE HG1y A 35 ILE H 1.0 . 3.5 939 528 A 35 ILE HA A 35 ILE HG2% 1.0 . 4.0 940 529 A 35 ILE HD1% A 35 ILE HA 1.0 . 4.0 941 530 A 35 ILE HA A 35 ILE HG1x 1.0 . 3.5 942 530 A 35 ILE HA A 35 ILE HG1y 1.0 . 3.5 943 531 A 35 ILE HA A 35 ILE HB 1.0 . 3.0 944 532 A 35 ILE H A 35 ILE HB 1.0 . 4.0 945 533 A 35 ILE HB A 35 ILE HG1x 1.0 . 3.0 946 533 A 35 ILE HG1y A 35 ILE HB 1.0 . 3.0 947 534 A 35 ILE H A 35 ILE HG2% 1.0 . 4.0 948 535 A 35 ILE HG2% A 35 ILE HG1x 1.0 . 3.5 949 535 A 35 ILE HG1y A 35 ILE HG2% 1.0 . 3.5 950 536 A 35 ILE HD1% A 35 ILE HB 1.0 . 4.0 951 537 A 35 ILE HD1% A 35 ILE HG2% 1.0 . 4.0 952 538 A 35 ILE H A 37 ALA H 1.0 . 4.5 953 539 A 35 ILE H A 38 PHE H 1.0 . 5.5 954 540 A 35 ILE HB A 36 ALA H 1.0 . 4.3 955 541 A 31 PHE HE% A 35 ILE HG2% 1.0 . 6.0 956 541 A 31 PHE HD% A 35 ILE HG2% 1.0 . 6.0 957 542 A 38 PHE HE% A 35 ILE HG1y 1.0 . 5.5 958 542 A 35 ILE HG1y A 38 PHE HD% 1.0 . 5.5 959 542 A 38 PHE HE% A 35 ILE HG1x 1.0 . 5.5 960 542 A 38 PHE HD% A 35 ILE HG1x 1.0 . 5.5 961 543 A 38 PHE HE% A 35 ILE HD1% 1.0 . 5.0 962 543 A 35 ILE HD1% A 38 PHE HD% 1.0 . 5.0 963 544 A 35 ILE HA A 38 PHE HD% 1.0 . 4.0 964 545 A 35 ILE HG2% A 64 ARG HBx 1.0 . 5.0 965 545 A 35 ILE HG2% A 64 ARG HBy 1.0 . 5.0 966 546 A 35 ILE HG1y A 64 ARG HBx 1.0 . 5.0 967 546 A 35 ILE HG1x A 64 ARG HBx 1.0 . 5.0 968 546 A 64 ARG HBy A 35 ILE HG1x 1.0 . 5.0 969 546 A 35 ILE HG1y A 64 ARG HBy 1.0 . 5.0 970 547 A 60 ALA HA A 35 ILE HD1% 1.0 . 5.0 971 548 A 35 ILE HD1% A 63 ILE HB 1.0 . 4.5 972 549 A 35 ILE HD1% A 63 ILE HG2% 1.0 . 4.0 973 550 A 35 ILE HD1% A 64 ARG H 1.0 . 6.0 974 551 A 35 ILE H A 36 ALA H 1.0 . 3.0 975 552 A 36 ALA H A 35 ILE HG2% 1.0 . 5.0 976 553 A 35 ILE HA A 37 ALA H 1.0 . 4.5 977 554 A 35 ILE HA A 38 PHE H 1.0 . 3.5 978 555 A 35 ILE HA A 38 PHE HBy 1.0 . 4.5 979 555 A 35 ILE HA A 38 PHE HBx 1.0 . 4.5 980 556 A 35 ILE HB A 38 PHE HBy 1.0 . 6.0 981 556 A 35 ILE HB A 38 PHE HBx 1.0 . 6.0 982 557 A 35 ILE HD1% A 38 PHE HBy 1.0 . 6.0 983 557 A 35 ILE HD1% A 38 PHE HBx 1.0 . 6.0 984 558 A 35 ILE HB A 63 ILE HG1x 1.0 . 7.0 985 558 A 35 ILE HB A 63 ILE HG1y 1.0 . 7.0 986 559 A 63 ILE HD1% A 35 ILE HB 1.0 . 7.0 987 560 A 63 ILE HD1% A 35 ILE HD1% 1.0 . 5.0 988 561 A 63 ILE HD1% A 35 ILE HG1x 1.0 . 6.0 989 561 A 63 ILE HD1% A 35 ILE HG1y 1.0 . 6.0 990 562 A 35 ILE HD1% A 64 ARG HA 1.0 . 6.0 991 563 A 35 ILE HD1% A 64 ARG HBx 1.0 . 6.0 992 563 A 35 ILE HD1% A 64 ARG HBy 1.0 . 6.0 993 564 A 35 ILE H A 34 GLU HA 1.0 . 4.0 994 565 A 35 ILE HA A 35 ILE H 1.0 . 3.0 995 566 A 35 ILE HB A 35 ILE HG2% 1.0 . 3.0 996 567 A 35 ILE HD1% A 35 ILE HG1x 1.0 . 3.0 997 567 A 35 ILE HD1% A 35 ILE HG1y 1.0 . 3.0 998 568 A 36 ALA HB% A 36 ALA H 1.0 . 3.5 999 569 A 36 ALA H A 38 PHE HBy 1.0 . 6.0 1000 569 A 36 ALA H A 38 PHE HBx 1.0 . 6.0 1001 570 A 36 ALA HB% A 37 ALA H 1.0 . 4.3 1002 571 A 36 ALA H A 37 ALA H 1.0 . 3.0 1003 572 A 36 ALA H A 38 PHE H 1.0 . 4.5 1004 573 A 38 PHE H A 36 ALA HA 1.0 . 4.5 1005 574 A 36 ALA HA A 39 GLU H 1.0 . 4.0 1006 575 A 36 ALA HA A 39 GLU HBx 1.0 . 4.5 1007 575 A 36 ALA HA A 39 GLU HBy 1.0 . 4.5 1008 576 A 36 ALA HA A 39 GLU HGy 1.0 . 5.0 1009 576 A 36 ALA HA A 39 GLU HGx 1.0 . 5.0 1010 577 A 36 ALA HB% A 39 GLU HGy 1.0 . 5.0 1011 577 A 36 ALA HB% A 39 GLU HGx 1.0 . 5.0 1012 578 A 35 ILE HA A 36 ALA H 1.0 . 4.0 1013 579 A 36 ALA H A 36 ALA HA 1.0 . 3.0 1014 580 A 36 ALA HB% A 36 ALA HA 1.0 . 3.0 1015 581 A 37 ALA HB% A 37 ALA H 1.0 . 3.5 1016 582 A 37 ALA HB% A 38 PHE H 1.0 . 4.3 1017 583 A 38 PHE HE% A 37 ALA H 1.0 . 6.0 1018 583 A 37 ALA H A 38 PHE HD% 1.0 . 6.0 1019 584 A 37 ALA H A 39 GLU H 1.0 . 4.5 1020 585 A 37 ALA HA A 40 SER HBx 1.0 . 4.5 1021 585 A 37 ALA HA A 40 SER HBy 1.0 . 4.5 1022 586 A 37 ALA HA A 40 SER H 1.0 . 3.5 1023 587 A 37 ALA H A 38 PHE H 1.0 . 3.0 1024 588 A 37 ALA HA A 38 PHE HBy 1.0 . 6.0 1025 588 A 38 PHE HBx A 37 ALA HA 1.0 . 6.0 1026 589 A 37 ALA HB% A 39 GLU H 1.0 . 5.0 1027 590 A 37 ALA HB% A 40 SER HBx 1.0 . 5.0 1028 590 A 37 ALA HB% A 40 SER HBy 1.0 . 5.0 1029 591 A 37 ALA H A 36 ALA HA 1.0 . 4.0 1030 592 A 37 ALA H A 37 ALA HA 1.0 . 3.0 1031 593 A 38 PHE H A 38 PHE HD% 1.0 . 5.5 1032 594 A 38 PHE HD% A 38 PHE HA 1.0 . 3.5 1033 595 A 38 PHE HA A 38 PHE HBy 1.0 . 3.0 1034 595 A 38 PHE HBx A 38 PHE HA 1.0 . 3.0 1035 596 A 38 PHE H A 38 PHE HBy 1.0 . 3.5 1036 596 A 38 PHE H A 38 PHE HBx 1.0 . 3.5 1037 597 A 38 PHE H A 39 GLU H 1.0 . 3.0 1038 598 A 38 PHE HA A 41 GLU HBx 1.0 . 4.5 1039 598 A 38 PHE HA A 41 GLU HBy 1.0 . 4.5 1040 599 A 38 PHE HA A 41 GLU H 1.0 . 3.5 1041 600 A 39 GLU H A 38 PHE HBy 1.0 . 4.3 1042 600 A 38 PHE HBx A 39 GLU H 1.0 . 4.3 1043 601 A 38 PHE HE% A 39 GLU H 1.0 . 5.0 1044 601 A 38 PHE HD% A 39 GLU H 1.0 . 5.0 1045 602 A 38 PHE HE% A 39 GLU HA 1.0 . 6.0 1046 602 A 38 PHE HD% A 39 GLU HA 1.0 . 6.0 1047 603 A 38 PHE HE% A 39 GLU HGx 1.0 . 6.0 1048 603 A 38 PHE HD% A 39 GLU HGx 1.0 . 6.0 1049 603 A 38 PHE HD% A 39 GLU HGy 1.0 . 6.0 1050 603 A 38 PHE HE% A 39 GLU HGy 1.0 . 6.0 1051 604 A 38 PHE H A 40 SER H 1.0 . 4.5 1052 605 A 40 SER H A 38 PHE HA 1.0 . 4.5 1053 606 A 38 PHE H A 41 GLU H 1.0 . 5.5 1054 607 A 38 PHE HBy A 42 LEU HDy% 1.0 . 6.0 1055 607 A 38 PHE HBx A 42 LEU HDy% 1.0 . 6.0 1056 607 A 42 LEU HDx% A 38 PHE HBy 1.0 . 6.0 1057 607 A 42 LEU HDx% A 38 PHE HBx 1.0 . 6.0 1058 608 A 42 LEU HDx% A 38 PHE HE% 1.0 . 6.0 1059 608 A 38 PHE HD% A 42 LEU HDy% 1.0 . 6.0 1060 608 A 42 LEU HDx% A 38 PHE HD% 1.0 . 6.0 1061 608 A 38 PHE HE% A 42 LEU HDy% 1.0 . 6.0 1062 609 A 38 PHE H A 37 ALA HA 1.0 . 4.0 1063 610 A 38 PHE H A 38 PHE HA 1.0 . 3.0 1064 611 A 39 GLU H A 38 PHE HA 1.0 . 4.0 1065 612 A 38 PHE HD% A 38 PHE HBy 1.0 . 3.5 1066 612 A 38 PHE HD% A 38 PHE HBx 1.0 . 3.5 1067 613 A 39 GLU H A 39 GLU HBx 1.0 . 3.5 1068 613 A 39 GLU H A 39 GLU HBy 1.0 . 3.5 1069 614 A 39 GLU HA A 39 GLU HBx 1.0 . 3.0 1070 614 A 39 GLU HBy A 39 GLU HA 1.0 . 3.0 1071 615 A 39 GLU HBx A 39 GLU HGy 1.0 . 3.0 1072 615 A 39 GLU HBy A 39 GLU HGy 1.0 . 3.0 1073 615 A 39 GLU HGx A 39 GLU HBx 1.0 . 3.0 1074 615 A 39 GLU HBy A 39 GLU HGx 1.0 . 3.0 1075 616 A 39 GLU H A 39 GLU HGy 1.0 . 3.5 1076 616 A 39 GLU H A 39 GLU HGx 1.0 . 3.5 1077 617 A 39 GLU HA A 39 GLU HGy 1.0 . 3.5 1078 617 A 39 GLU HGx A 39 GLU HA 1.0 . 3.5 1079 618 A 39 GLU H A 41 GLU H 1.0 . 4.5 1080 619 A 42 LEU H A 39 GLU H 1.0 . 5.5 1081 620 A 39 GLU HA A 42 LEU HBy 1.0 . 4.5 1082 620 A 39 GLU HA A 42 LEU HBx 1.0 . 4.5 1083 621 A 39 GLU HA A 42 LEU HDy% 1.0 . 5.0 1084 621 A 42 LEU HDx% A 39 GLU HA 1.0 . 5.0 1085 622 A 39 GLU HGy A 42 LEU HDy% 1.0 . 5.0 1086 622 A 39 GLU HGx A 42 LEU HDy% 1.0 . 5.0 1087 622 A 42 LEU HDx% A 39 GLU HGy 1.0 . 5.0 1088 622 A 42 LEU HDx% A 39 GLU HGx 1.0 . 5.0 1089 623 A 39 GLU HGy A 42 LEU HBy 1.0 . 6.0 1090 623 A 39 GLU HGx A 42 LEU HBy 1.0 . 6.0 1091 623 A 42 LEU HBx A 39 GLU HGy 1.0 . 6.0 1092 623 A 39 GLU HGx A 42 LEU HBx 1.0 . 6.0 1093 624 A 39 GLU HGy A 43 GLN HGx 1.0 . 5.0 1094 624 A 39 GLU HGx A 43 GLN HGx 1.0 . 5.0 1095 624 A 43 GLN HGy A 39 GLU HGy 1.0 . 5.0 1096 624 A 39 GLU HGx A 43 GLN HGy 1.0 . 5.0 1097 625 A 39 GLU H A 40 SER H 1.0 . 3.0 1098 626 A 40 SER H A 39 GLU HBx 1.0 . 4.3 1099 626 A 39 GLU HBy A 40 SER H 1.0 . 4.3 1100 627 A 42 LEU H A 39 GLU HA 1.0 . 3.5 1101 628 A 39 GLU H A 39 GLU HA 1.0 . 3.0 1102 629 A 40 SER HA A 40 SER HBx 1.0 . 3.0 1103 629 A 40 SER HBy A 40 SER HA 1.0 . 3.0 1104 630 A 40 SER H A 40 SER HBx 1.0 . 3.5 1105 630 A 40 SER HBy A 40 SER H 1.0 . 3.5 1106 631 A 40 SER H A 41 GLU HBx 1.0 . 5.0 1107 631 A 40 SER H A 41 GLU HBy 1.0 . 5.0 1108 632 A 42 LEU H A 40 SER H 1.0 . 4.5 1109 633 A 40 SER H A 43 GLN H 1.0 . 5.5 1110 634 A 40 SER HA A 43 GLN HBx 1.0 . 4.5 1111 634 A 40 SER HA A 43 GLN HBy 1.0 . 4.5 1112 635 A 40 SER HBy A 41 GLU HBx 1.0 . 5.0 1113 635 A 40 SER HBx A 41 GLU HBx 1.0 . 5.0 1114 635 A 41 GLU HBy A 40 SER HBx 1.0 . 5.0 1115 635 A 40 SER HBy A 41 GLU HBy 1.0 . 5.0 1116 636 A 36 ALA HA A 40 SER HBx 1.0 . 5.0 1117 636 A 36 ALA HA A 40 SER HBy 1.0 . 5.0 1118 637 A 40 SER H A 41 GLU H 1.0 . 3.0 1119 638 A 41 GLU H A 40 SER HBx 1.0 . 4.3 1120 638 A 40 SER HBy A 41 GLU H 1.0 . 4.3 1121 639 A 42 LEU H A 40 SER HA 1.0 . 4.5 1122 640 A 40 SER HA A 43 GLN H 1.0 . 3.5 1123 641 A 40 SER H A 43 GLN HBx 1.0 . 6.0 1124 641 A 40 SER H A 43 GLN HBy 1.0 . 6.0 1125 642 A 40 SER H A 39 GLU HA 1.0 . 4.0 1126 643 A 40 SER H A 40 SER HA 1.0 . 3.0 1127 644 A 41 GLU H A 41 GLU HBx 1.0 . 3.5 1128 644 A 41 GLU HBy A 41 GLU H 1.0 . 3.5 1129 645 A 41 GLU H A 41 GLU HGx 1.0 . 3.5 1130 645 A 41 GLU H A 41 GLU HGy 1.0 . 3.5 1131 646 A 41 GLU HA A 41 GLU HGx 1.0 . 3.5 1132 646 A 41 GLU HGy A 41 GLU HA 1.0 . 3.5 1133 647 A 41 GLU HA A 41 GLU HBx 1.0 . 3.0 1134 647 A 41 GLU HBy A 41 GLU HA 1.0 . 3.0 1135 648 A 41 GLU HBx A 41 GLU HGx 1.0 . 3.0 1136 648 A 41 GLU HBy A 41 GLU HGx 1.0 . 3.0 1137 648 A 41 GLU HGy A 41 GLU HBx 1.0 . 3.0 1138 648 A 41 GLU HBy A 41 GLU HGy 1.0 . 3.0 1139 649 A 41 GLU HA A 44 ALA HB% 1.0 . 4.5 1140 650 A 42 LEU H A 41 GLU H 1.0 . 3.0 1141 651 A 42 LEU H A 41 GLU HBx 1.0 . 4.3 1142 651 A 42 LEU H A 41 GLU HBy 1.0 . 4.3 1143 652 A 41 GLU H A 43 GLN H 1.0 . 4.5 1144 653 A 43 GLN H A 41 GLU HA 1.0 . 4.5 1145 654 A 41 GLU H A 44 ALA H 1.0 . 5.5 1146 655 A 41 GLU HA A 44 ALA H 1.0 . 3.5 1147 656 A 41 GLU H A 40 SER HA 1.0 . 4.0 1148 657 A 41 GLU H A 41 GLU HA 1.0 . 3.0 1149 658 A 42 LEU H A 42 LEU HDy% 1.0 . 6.0 1150 658 A 42 LEU H A 42 LEU HDx% 1.0 . 6.0 1151 659 A 42 LEU HA A 42 LEU HBy 1.0 . 3.0 1152 659 A 42 LEU HBx A 42 LEU HA 1.0 . 3.0 1153 660 A 42 LEU HA A 42 LEU HDy% 1.0 . 4.0 1154 660 A 42 LEU HDx% A 42 LEU HA 1.0 . 4.0 1155 661 A 42 LEU H A 42 LEU HBy 1.0 . 3.5 1156 661 A 42 LEU H A 42 LEU HBx 1.0 . 3.5 1157 662 A 42 LEU HBy A 42 LEU HDy% 1.0 . 4.0 1158 662 A 42 LEU HBx A 42 LEU HDy% 1.0 . 4.0 1159 662 A 42 LEU HDx% A 42 LEU HBy 1.0 . 4.0 1160 662 A 42 LEU HDx% A 42 LEU HBx 1.0 . 4.0 1161 663 A 42 LEU HA A 42 LEU HG 1.0 . 3.0 1162 664 A 42 LEU H A 42 LEU HG 1.0 . 5.0 1163 665 A 42 LEU HG A 42 LEU HBy 1.0 . 3.0 1164 665 A 42 LEU HBx A 42 LEU HG 1.0 . 3.0 1165 666 A 42 LEU H A 43 GLN H 1.0 . 3.0 1166 667 A 42 LEU HA A 45 TYR HBx 1.0 . 4.5 1167 667 A 42 LEU HA A 45 TYR HBy 1.0 . 4.5 1168 668 A 42 LEU HA A 45 TYR H 1.0 . 3.5 1169 669 A 42 LEU HDy% A 56 LEU HDx% 1.0 . 6.0 1170 669 A 42 LEU HDx% A 56 LEU HDx% 1.0 . 6.0 1171 669 A 56 LEU HDy% A 42 LEU HDy% 1.0 . 6.0 1172 669 A 56 LEU HDy% A 42 LEU HDx% 1.0 . 6.0 1173 670 A 42 LEU HDy% A 53 VAL HGy% 1.0 . 3.5 1174 670 A 42 LEU HDx% A 53 VAL HGy% 1.0 . 3.5 1175 670 A 53 VAL HGx% A 42 LEU HDy% 1.0 . 3.5 1176 670 A 42 LEU HDx% A 53 VAL HGx% 1.0 . 3.5 1177 671 A 42 LEU HDx% A 57 ARG HGx 1.0 . 5.5 1178 671 A 42 LEU HDy% A 57 ARG HGx 1.0 . 5.5 1179 671 A 57 ARG HGy A 42 LEU HDy% 1.0 . 5.5 1180 671 A 42 LEU HDx% A 57 ARG HGy 1.0 . 5.5 1181 672 A 42 LEU HG A 56 LEU HDx% 1.0 . 6.0 1182 672 A 56 LEU HDy% A 42 LEU HG 1.0 . 6.0 1183 673 A 43 GLN H A 42 LEU HBy 1.0 . 4.3 1184 673 A 42 LEU HBx A 43 GLN H 1.0 . 4.3 1185 674 A 42 LEU H A 44 ALA H 1.0 . 4.5 1186 675 A 53 VAL HA A 42 LEU HDy% 1.0 . 6.0 1187 675 A 42 LEU HDx% A 53 VAL HA 1.0 . 6.0 1188 676 A 53 VAL HB A 42 LEU HBy 1.0 . 5.5 1189 676 A 42 LEU HBx A 53 VAL HB 1.0 . 5.5 1190 677 A 53 VAL HB A 42 LEU HDy% 1.0 . 5.0 1191 677 A 42 LEU HDx% A 53 VAL HB 1.0 . 5.0 1192 678 A 42 LEU HDy% A 56 LEU HBy 1.0 . 5.0 1193 678 A 42 LEU HDx% A 56 LEU HBy 1.0 . 5.0 1194 678 A 56 LEU HBx A 42 LEU HDy% 1.0 . 5.0 1195 678 A 42 LEU HDx% A 56 LEU HBx 1.0 . 5.0 1196 679 A 56 LEU HG A 42 LEU HDy% 1.0 . 7.0 1197 679 A 42 LEU HDx% A 56 LEU HG 1.0 . 7.0 1198 680 A 57 ARG HA A 42 LEU HDy% 1.0 . 4.5 1199 680 A 42 LEU HDx% A 57 ARG HA 1.0 . 4.5 1200 681 A 57 ARG H A 42 LEU HDy% 1.0 . 6.0 1201 681 A 42 LEU HDx% A 57 ARG H 1.0 . 6.0 1202 682 A 42 LEU H A 41 GLU HA 1.0 . 4.0 1203 683 A 42 LEU H A 42 LEU HA 1.0 . 3.0 1204 684 A 42 LEU HG A 42 LEU HDy% 1.0 . 3.0 1205 684 A 42 LEU HDx% A 42 LEU HG 1.0 . 3.0 1206 685 A 42 LEU HDx% A 42 LEU HDy% 1.0 . 3.0 1207 686 A 43 GLN H A 43 GLN HBx 1.0 . 3.0 1208 686 A 43 GLN H A 43 GLN HBy 1.0 . 3.0 1209 687 A 43 GLN HA A 43 GLN HBx 1.0 . 3.0 1210 687 A 43 GLN HBy A 43 GLN HA 1.0 . 3.0 1211 688 A 43 GLN H A 43 GLN HGx 1.0 . 4.5 1212 688 A 43 GLN HGy A 43 GLN H 1.0 . 4.5 1213 689 A 43 GLN HA A 43 GLN HGx 1.0 . 3.5 1214 689 A 43 GLN HGy A 43 GLN HA 1.0 . 3.5 1215 690 A 43 GLN HBx A 43 GLN HGx 1.0 . 3.0 1216 690 A 43 GLN HGy A 43 GLN HBx 1.0 . 3.0 1217 690 A 43 GLN HGy A 43 GLN HBy 1.0 . 3.0 1218 690 A 43 GLN HBy A 43 GLN HGx 1.0 . 3.0 1219 691 A 43 GLN H A 44 ALA H 1.0 . 3.0 1220 692 A 43 GLN H A 45 TYR HD% 1.0 . 5.0 1221 693 A 43 GLN H A 45 TYR H 1.0 . 4.5 1222 694 A 44 ALA H A 43 GLN HBx 1.0 . 4.3 1223 694 A 43 GLN HBy A 44 ALA H 1.0 . 4.3 1224 695 A 44 ALA HB% A 43 GLN HGx 1.0 . 3.0 1225 695 A 43 GLN HGy A 44 ALA HB% 1.0 . 3.0 1226 696 A 44 ALA HA A 43 GLN HBx 1.0 . 5.0 1227 696 A 43 GLN HBy A 44 ALA HA 1.0 . 5.0 1228 697 A 45 TYR H A 43 GLN HA 1.0 . 4.5 1229 698 A 43 GLN H A 42 LEU HA 1.0 . 4.0 1230 699 A 43 GLN H A 43 GLN HA 1.0 . 3.0 1231 700 A 44 ALA HB% A 44 ALA H 1.0 . 3.5 1232 701 A 44 ALA HB% A 45 TYR H 1.0 . 4.3 1233 702 A 44 ALA H A 45 TYR H 1.0 . 3.0 1234 703 A 44 ALA HB% A 45 TYR HA 1.0 . 5.0 1235 704 A 44 ALA HB% A 45 TYR HBx 1.0 . 5.5 1236 704 A 44 ALA HB% A 45 TYR HBy 1.0 . 5.5 1237 705 A 44 ALA H A 43 GLN HA 1.0 . 4.0 1238 706 A 44 ALA H A 44 ALA HA 1.0 . 3.0 1239 707 A 44 ALA HB% A 44 ALA HA 1.0 . 3.0 1240 708 A 45 TYR H A 45 TYR HD% 1.0 . 5.5 1241 709 A 45 TYR H A 45 TYR HE% 1.0 . 6.0 1242 710 A 45 TYR HD% A 45 TYR HA 1.0 . 4.5 1243 711 A 45 TYR H A 45 TYR HBx 1.0 . 3.5 1244 711 A 45 TYR HBy A 45 TYR H 1.0 . 3.5 1245 712 A 45 TYR HA A 45 TYR HBx 1.0 . 3.0 1246 712 A 45 TYR HBy A 45 TYR HA 1.0 . 3.0 1247 713 A 45 TYR H A 46 LYS H 1.0 . 3.0 1248 714 A 45 TYR HE% A 53 VAL H 1.0 . 6.0 1249 714 A 45 TYR HD% A 53 VAL H 1.0 . 6.0 1250 715 A 53 VAL HA A 45 TYR HE% 1.0 . 7.0 1251 715 A 53 VAL HA A 45 TYR HD% 1.0 . 7.0 1252 716 A 53 VAL HGx% A 45 TYR HE% 1.0 . 6.0 1253 716 A 45 TYR HD% A 53 VAL HGy% 1.0 . 6.0 1254 716 A 53 VAL HGx% A 45 TYR HD% 1.0 . 6.0 1255 716 A 45 TYR HE% A 53 VAL HGy% 1.0 . 6.0 1256 717 A 45 TYR H A 44 ALA HA 1.0 . 4.0 1257 718 A 45 TYR H A 45 TYR HA 1.0 . 3.0 1258 719 A 45 TYR HD% A 45 TYR HBx 1.0 . 3.5 1259 719 A 45 TYR HBy A 45 TYR HD% 1.0 . 3.5 1260 720 A 46 LYS HA A 46 LYS HBx 1.0 . 3.0 1261 720 A 46 LYS HA A 46 LYS HBy 1.0 . 3.0 1262 721 A 46 LYS HBx A 46 LYS HGx 1.0 . 3.0 1263 721 A 46 LYS HBy A 46 LYS HGx 1.0 . 3.0 1264 721 A 46 LYS HGy A 46 LYS HBx 1.0 . 3.0 1265 721 A 46 LYS HBy A 46 LYS HGy 1.0 . 3.0 1266 722 A 45 TYR HA A 46 LYS H 1.0 . 4.0 1267 723 A 47 GLY H A 52 GLU HGx 1.0 . 5.5 1268 723 A 52 GLU HGy A 47 GLY H 1.0 . 5.5 1269 724 A 49 GLY HAx A 50 ASN HBy 1.0 . 5.0 1270 724 A 49 GLY HAy A 50 ASN HBy 1.0 . 5.0 1271 724 A 50 ASN HBx A 49 GLY HAy 1.0 . 5.0 1272 724 A 49 GLY HAx A 50 ASN HBx 1.0 . 5.0 1273 725 A 50 ASN HA A 50 ASN HBy 1.0 . 3.0 1274 725 A 50 ASN HBx A 50 ASN HA 1.0 . 3.0 1275 726 A 51 PRO HA A 50 ASN HBy 1.0 . 5.0 1276 726 A 50 ASN HBx A 51 PRO HA 1.0 . 5.0 1277 727 A 53 VAL HB A 50 ASN HBy 1.0 . 7.0 1278 727 A 53 VAL HB A 50 ASN HBx 1.0 . 7.0 1279 728 A 50 ASN HBy A 51 PRO HBx 1.0 . 5.5 1280 728 A 50 ASN HBx A 51 PRO HBx 1.0 . 5.5 1281 728 A 51 PRO HBy A 50 ASN HBy 1.0 . 5.5 1282 728 A 50 ASN HBx A 51 PRO HBy 1.0 . 5.5 1283 729 A 50 ASN HBy A 53 VAL HGy% 1.0 . 7.0 1284 729 A 53 VAL HGx% A 50 ASN HBy 1.0 . 7.0 1285 729 A 53 VAL HGx% A 50 ASN HBx 1.0 . 7.0 1286 729 A 50 ASN HBx A 53 VAL HGy% 1.0 . 7.0 1287 730 A 50 ASN HA A 51 PRO HGy 1.0 . 5.0 1288 730 A 50 ASN HA A 51 PRO HGx 1.0 . 5.0 1289 731 A 50 ASN HBy A 51 PRO HDy 1.0 . 5.0 1290 731 A 50 ASN HBx A 51 PRO HDy 1.0 . 5.0 1291 731 A 51 PRO HDx A 50 ASN HBy 1.0 . 5.0 1292 731 A 50 ASN HBx A 51 PRO HDx 1.0 . 5.0 1293 732 A 50 ASN HA A 51 PRO HA 1.0 . 5.5 1294 733 A 54 GLU H A 51 PRO HA 1.0 . 3.5 1295 734 A 51 PRO HA A 54 GLU HBx 1.0 . 4.5 1296 734 A 51 PRO HA A 54 GLU HBy 1.0 . 4.5 1297 735 A 51 PRO HA A 54 GLU HGx 1.0 . 5.0 1298 735 A 51 PRO HA A 54 GLU HGy 1.0 . 5.0 1299 736 A 50 ASN HA A 51 PRO HDy 1.0 . 5.0 1300 736 A 50 ASN HA A 51 PRO HDx 1.0 . 5.0 1301 737 A 51 PRO HA A 51 PRO HBx 1.0 . 3.0 1302 737 A 51 PRO HA A 51 PRO HBy 1.0 . 3.0 1303 738 A 51 PRO HA A 51 PRO HGy 1.0 . 4.0 1304 738 A 51 PRO HA A 51 PRO HGx 1.0 . 4.0 1305 739 A 51 PRO HA A 51 PRO HDy 1.0 . 4.0 1306 739 A 51 PRO HA A 51 PRO HDx 1.0 . 4.0 1307 740 A 51 PRO HBx A 51 PRO HGy 1.0 . 3.0 1308 740 A 51 PRO HBy A 51 PRO HGy 1.0 . 3.0 1309 740 A 51 PRO HGx A 51 PRO HBx 1.0 . 3.0 1310 740 A 51 PRO HBy A 51 PRO HGx 1.0 . 3.0 1311 741 A 51 PRO HBx A 51 PRO HDy 1.0 . 3.0 1312 741 A 51 PRO HBy A 51 PRO HDy 1.0 . 3.0 1313 741 A 51 PRO HDx A 51 PRO HBx 1.0 . 3.0 1314 741 A 51 PRO HBy A 51 PRO HDx 1.0 . 3.0 1315 742 A 51 PRO HDy A 51 PRO HGy 1.0 . 3.0 1316 742 A 51 PRO HGx A 51 PRO HDy 1.0 . 3.0 1317 742 A 51 PRO HGx A 51 PRO HDx 1.0 . 3.0 1318 742 A 51 PRO HDx A 51 PRO HGy 1.0 . 3.0 1319 743 A 52 GLU H A 52 GLU HBy 1.0 . 3.0 1320 743 A 52 GLU HBx A 52 GLU H 1.0 . 3.0 1321 744 A 52 GLU H A 52 GLU HGx 1.0 . 3.0 1322 744 A 52 GLU HGy A 52 GLU H 1.0 . 3.0 1323 745 A 52 GLU HA A 52 GLU HGx 1.0 . 4.0 1324 745 A 52 GLU HGy A 52 GLU HA 1.0 . 4.0 1325 746 A 52 GLU HA A 52 GLU HBy 1.0 . 3.0 1326 746 A 52 GLU HBx A 52 GLU HA 1.0 . 3.0 1327 747 A 52 GLU HBy A 52 GLU HGx 1.0 . 3.0 1328 747 A 52 GLU HBx A 52 GLU HGx 1.0 . 3.0 1329 747 A 52 GLU HGy A 52 GLU HBy 1.0 . 3.0 1330 747 A 52 GLU HBx A 52 GLU HGy 1.0 . 3.0 1331 748 A 52 GLU HBx A 52 GLU HGy 1.0 . 3.0 1332 748 A 52 GLU HBx A 52 GLU HGx 1.0 . 3.0 1333 749 A 52 GLU HGy A 52 GLU HBy 1.0 . 3.0 1334 749 A 52 GLU HBy A 52 GLU HGx 1.0 . 3.0 1335 750 A 53 VAL H A 52 GLU H 1.0 . 3.0 1336 751 A 53 VAL H A 52 GLU HBy 1.0 . 4.3 1337 751 A 52 GLU HBx A 53 VAL H 1.0 . 4.3 1338 752 A 54 GLU H A 52 GLU H 1.0 . 4.5 1339 753 A 54 GLU H A 52 GLU HA 1.0 . 4.5 1340 754 A 52 GLU HBy A 54 GLU HBx 1.0 . 6.0 1341 754 A 52 GLU HBx A 54 GLU HBx 1.0 . 6.0 1342 754 A 54 GLU HBy A 52 GLU HBy 1.0 . 6.0 1343 754 A 52 GLU HBx A 54 GLU HBy 1.0 . 6.0 1344 755 A 52 GLU HBy A 54 GLU HGx 1.0 . 6.0 1345 755 A 52 GLU HBx A 54 GLU HGx 1.0 . 6.0 1346 755 A 54 GLU HGy A 52 GLU HBy 1.0 . 6.0 1347 755 A 52 GLU HBx A 54 GLU HGy 1.0 . 6.0 1348 756 A 52 GLU HA A 55 ALA H 1.0 . 4.0 1349 757 A 52 GLU HA A 55 ALA HB% 1.0 . 4.5 1350 758 A 51 PRO HA A 52 GLU H 1.0 . 4.0 1351 759 A 52 GLU H A 52 GLU HA 1.0 . 3.0 1352 760 A 53 VAL HB A 53 VAL H 1.0 . 3.0 1353 761 A 53 VAL HGx% A 53 VAL H 1.0 . 4.5 1354 762 A 53 VAL H A 53 VAL HGy% 1.0 . 4.5 1355 763 A 53 VAL HA A 53 VAL HB 1.0 . 3.0 1356 764 A 53 VAL HA A 53 VAL HGx% 1.0 . 4.0 1357 765 A 53 VAL HA A 53 VAL HGy% 1.0 . 4.0 1358 766 A 53 VAL HA A 53 VAL HGy% 1.0 . 4.0 1359 766 A 53 VAL HA A 53 VAL HGx% 1.0 . 4.0 1360 767 A 53 VAL H A 53 VAL HGy% 1.0 . 4.5 1361 767 A 53 VAL HGx% A 53 VAL H 1.0 . 4.5 1362 768 A 54 GLU H A 53 VAL H 1.0 . 3.0 1363 769 A 53 VAL HA A 56 LEU HDx% 1.0 . 6.0 1364 769 A 56 LEU HDy% A 53 VAL HA 1.0 . 6.0 1365 770 A 54 GLU H A 53 VAL HB 1.0 . 4.3 1366 771 A 53 VAL HGy% A 57 ARG HDx 1.0 . 5.5 1367 771 A 53 VAL HGx% A 57 ARG HDx 1.0 . 5.5 1368 771 A 57 ARG HDy A 53 VAL HGy% 1.0 . 5.5 1369 771 A 53 VAL HGx% A 57 ARG HDy 1.0 . 5.5 1370 772 A 54 GLU H A 53 VAL HGy% 1.0 . 5.0 1371 772 A 54 GLU H A 53 VAL HGx% 1.0 . 5.0 1372 773 A 53 VAL HGx% A 54 GLU HGx 1.0 . 5.0 1373 773 A 53 VAL HGy% A 54 GLU HGx 1.0 . 5.0 1374 773 A 54 GLU HGy A 53 VAL HGy% 1.0 . 5.0 1375 773 A 53 VAL HGx% A 54 GLU HGy 1.0 . 5.0 1376 774 A 53 VAL HA A 55 ALA H 1.0 . 4.5 1377 775 A 53 VAL HA A 56 LEU H 1.0 . 3.5 1378 776 A 53 VAL HA A 56 LEU HBy 1.0 . 4.5 1379 776 A 53 VAL HA A 56 LEU HBx 1.0 . 4.5 1380 777 A 53 VAL HGy% A 56 LEU HDx% 1.0 . 7.0 1381 777 A 53 VAL HGx% A 56 LEU HDx% 1.0 . 7.0 1382 777 A 56 LEU HDy% A 53 VAL HGy% 1.0 . 7.0 1383 777 A 56 LEU HDy% A 53 VAL HGx% 1.0 . 7.0 1384 778 A 53 VAL H A 52 GLU HA 1.0 . 4.0 1385 779 A 53 VAL HA A 53 VAL H 1.0 . 3.0 1386 780 A 53 VAL HGx% A 53 VAL HB 1.0 . 3.0 1387 781 A 53 VAL HB A 53 VAL HGy% 1.0 . 3.0 1388 782 A 54 GLU H A 54 GLU HGx 1.0 . 3.5 1389 782 A 54 GLU H A 54 GLU HGy 1.0 . 3.5 1390 783 A 54 GLU HA A 54 GLU HGx 1.0 . 3.5 1391 783 A 54 GLU HGy A 54 GLU HA 1.0 . 3.5 1392 784 A 54 GLU HA A 54 GLU HBx 1.0 . 3.0 1393 784 A 54 GLU HBy A 54 GLU HA 1.0 . 3.0 1394 785 A 54 GLU H A 54 GLU HBx 1.0 . 3.5 1395 785 A 54 GLU H A 54 GLU HBy 1.0 . 3.5 1396 786 A 54 GLU HBx A 54 GLU HGx 1.0 . 3.0 1397 786 A 54 GLU HBy A 54 GLU HGx 1.0 . 3.0 1398 786 A 54 GLU HGy A 54 GLU HBx 1.0 . 3.0 1399 786 A 54 GLU HBy A 54 GLU HGy 1.0 . 3.0 1400 787 A 54 GLU H A 55 ALA H 1.0 . 3.0 1401 788 A 54 GLU H A 56 LEU H 1.0 . 4.5 1402 789 A 55 ALA H A 54 GLU HBx 1.0 . 4.3 1403 789 A 54 GLU HBy A 55 ALA H 1.0 . 4.3 1404 790 A 55 ALA H A 54 GLU HGx 1.0 . 5.0 1405 790 A 54 GLU HGy A 55 ALA H 1.0 . 5.0 1406 791 A 57 ARG H A 54 GLU HA 1.0 . 4.0 1407 792 A 54 GLU HA A 57 ARG HBx 1.0 . 4.5 1408 792 A 54 GLU HA A 57 ARG HBy 1.0 . 4.5 1409 793 A 54 GLU H A 53 VAL HA 1.0 . 4.0 1410 794 A 54 GLU H A 54 GLU HA 1.0 . 3.0 1411 795 A 55 ALA H A 55 ALA HB% 1.0 . 3.5 1412 796 A 55 ALA H A 58 LYS H 1.0 . 5.5 1413 797 A 55 ALA H A 56 LEU H 1.0 . 3.0 1414 798 A 55 ALA HA A 58 LYS HBx 1.0 . 4.5 1415 798 A 55 ALA HA A 58 LYS HBy 1.0 . 4.5 1416 799 A 55 ALA HB% A 56 LEU H 1.0 . 4.3 1417 800 A 55 ALA H A 56 LEU HA 1.0 . 6.0 1418 801 A 57 ARG H A 55 ALA H 1.0 . 4.5 1419 802 A 58 LYS H A 55 ALA HA 1.0 . 3.5 1420 803 A 55 ALA H A 54 GLU HA 1.0 . 4.0 1421 804 A 55 ALA H A 55 ALA HA 1.0 . 3.0 1422 805 A 55 ALA HB% A 55 ALA HA 1.0 . 3.0 1423 806 A 56 LEU H A 56 LEU HBy 1.0 . 3.5 1424 806 A 56 LEU HBx A 56 LEU H 1.0 . 3.5 1425 807 A 56 LEU H A 56 LEU HDx% 1.0 . 6.0 1426 807 A 56 LEU HDy% A 56 LEU H 1.0 . 6.0 1427 808 A 56 LEU HG A 56 LEU H 1.0 . 5.0 1428 809 A 56 LEU HA A 56 LEU HBy 1.0 . 3.0 1429 809 A 56 LEU HBx A 56 LEU HA 1.0 . 3.0 1430 810 A 56 LEU HBy A 56 LEU HDx% 1.0 . 4.0 1431 810 A 56 LEU HBx A 56 LEU HDx% 1.0 . 4.0 1432 810 A 56 LEU HDy% A 56 LEU HBy 1.0 . 4.0 1433 810 A 56 LEU HDy% A 56 LEU HBx 1.0 . 4.0 1434 811 A 56 LEU HG A 56 LEU HBy 1.0 . 3.0 1435 811 A 56 LEU HBx A 56 LEU HG 1.0 . 3.0 1436 812 A 56 LEU HG A 56 LEU HA 1.0 . 3.0 1437 813 A 56 LEU HA A 56 LEU HDx% 1.0 . 4.0 1438 813 A 56 LEU HDy% A 56 LEU HA 1.0 . 4.0 1439 814 A 56 LEU H A 58 LYS H 1.0 . 4.5 1440 815 A 56 LEU HA A 59 GLU HGx 1.0 . 6.0 1441 815 A 56 LEU HA A 59 GLU HGy 1.0 . 6.0 1442 816 A 57 ARG H A 56 LEU HBy 1.0 . 4.3 1443 816 A 56 LEU HBx A 57 ARG H 1.0 . 4.3 1444 817 A 57 ARG HA A 56 LEU HDx% 1.0 . 5.0 1445 817 A 56 LEU HDy% A 57 ARG HA 1.0 . 5.0 1446 818 A 57 ARG H A 56 LEU H 1.0 . 3.0 1447 819 A 58 LYS H A 56 LEU HA 1.0 . 4.5 1448 820 A 59 GLU H A 56 LEU HDx% 1.0 . 6.0 1449 820 A 56 LEU HDy% A 59 GLU H 1.0 . 6.0 1450 821 A 56 LEU HA A 59 GLU H 1.0 . 4.0 1451 822 A 56 LEU HA A 59 GLU HBx 1.0 . 4.5 1452 822 A 56 LEU HA A 59 GLU HBy 1.0 . 4.5 1453 823 A 56 LEU H A 55 ALA HA 1.0 . 4.0 1454 824 A 56 LEU H A 56 LEU HA 1.0 . 3.0 1455 825 A 56 LEU HG A 42 LEU HDy% 1.0 . 7.0 1456 825 A 42 LEU HDx% A 56 LEU HG 1.0 . 7.0 1457 826 A 57 ARG H A 57 ARG HGx 1.0 . 4.5 1458 826 A 57 ARG HGy A 57 ARG H 1.0 . 4.5 1459 827 A 57 ARG H A 57 ARG HDx 1.0 . 4.0 1460 827 A 57 ARG H A 57 ARG HDy 1.0 . 4.0 1461 828 A 57 ARG HA A 57 ARG HGx 1.0 . 3.5 1462 828 A 57 ARG HGy A 57 ARG HA 1.0 . 3.5 1463 829 A 57 ARG H A 57 ARG HBx 1.0 . 3.5 1464 829 A 57 ARG H A 57 ARG HBy 1.0 . 3.5 1465 830 A 57 ARG HA A 57 ARG HBx 1.0 . 3.0 1466 830 A 57 ARG HA A 57 ARG HBy 1.0 . 3.0 1467 831 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.5 1468 831 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.5 1469 831 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.5 1470 831 A 57 ARG HDy A 57 ARG HBy 1.0 . 3.5 1471 832 A 57 ARG HBy A 57 ARG HGx 1.0 . 3.0 1472 832 A 57 ARG HBx A 57 ARG HGx 1.0 . 3.0 1473 832 A 57 ARG HGy A 57 ARG HBx 1.0 . 3.0 1474 832 A 57 ARG HGy A 57 ARG HBy 1.0 . 3.0 1475 833 A 57 ARG HDy A 57 ARG HGx 1.0 . 3.0 1476 833 A 57 ARG HDx A 57 ARG HGx 1.0 . 3.0 1477 833 A 57 ARG HGy A 57 ARG HDx 1.0 . 3.0 1478 833 A 57 ARG HGy A 57 ARG HDy 1.0 . 3.0 1479 834 A 57 ARG H A 59 GLU H 1.0 . 4.5 1480 835 A 57 ARG H A 60 ALA H 1.0 . 5.5 1481 836 A 57 ARG HA A 60 ALA HB% 1.0 . 4.5 1482 837 A 58 LYS H A 57 ARG HBx 1.0 . 4.3 1483 837 A 57 ARG HBy A 58 LYS H 1.0 . 4.3 1484 838 A 57 ARG H A 58 LYS H 1.0 . 3.0 1485 839 A 57 ARG H A 56 LEU HA 1.0 . 4.0 1486 840 A 57 ARG HA A 57 ARG H 1.0 . 3.0 1487 841 A 58 LYS H A 58 LYS HBx 1.0 . 3.0 1488 841 A 58 LYS H A 58 LYS HBy 1.0 . 3.0 1489 842 A 58 LYS H A 58 LYS HDx 1.0 . 6.0 1490 842 A 58 LYS H A 58 LYS HDy 1.0 . 6.0 1491 843 A 58 LYS HA A 58 LYS HDx 1.0 . 4.5 1492 843 A 58 LYS HDy A 58 LYS HA 1.0 . 4.5 1493 844 A 58 LYS HA A 58 LYS HEx 1.0 . 4.0 1494 844 A 58 LYS HA A 58 LYS HEy 1.0 . 4.0 1495 845 A 58 LYS HA A 58 LYS HBx 1.0 . 3.0 1496 845 A 58 LYS HBy A 58 LYS HA 1.0 . 3.0 1497 846 A 58 LYS HBx A 58 LYS HDx 1.0 . 3.5 1498 846 A 58 LYS HBy A 58 LYS HDx 1.0 . 3.5 1499 846 A 58 LYS HDy A 58 LYS HBx 1.0 . 3.5 1500 846 A 58 LYS HBy A 58 LYS HDy 1.0 . 3.5 1501 847 A 58 LYS HDx A 58 LYS HEx 1.0 . 3.0 1502 847 A 58 LYS HDy A 58 LYS HEx 1.0 . 3.0 1503 847 A 58 LYS HEy A 58 LYS HDx 1.0 . 3.0 1504 847 A 58 LYS HDy A 58 LYS HEy 1.0 . 3.0 1505 848 A 58 LYS HA A 58 LYS HGx 1.0 . 3.5 1506 848 A 58 LYS HA A 58 LYS HGy 1.0 . 3.5 1507 849 A 58 LYS HBy A 58 LYS HGx 1.0 . 3.0 1508 849 A 58 LYS HBx A 58 LYS HGx 1.0 . 3.0 1509 849 A 58 LYS HGy A 58 LYS HBx 1.0 . 3.0 1510 849 A 58 LYS HBy A 58 LYS HGy 1.0 . 3.0 1511 850 A 58 LYS HDy A 58 LYS HGx 1.0 . 3.0 1512 850 A 58 LYS HDx A 58 LYS HGx 1.0 . 3.0 1513 850 A 58 LYS HGy A 58 LYS HDx 1.0 . 3.0 1514 850 A 58 LYS HDy A 58 LYS HGy 1.0 . 3.0 1515 851 A 58 LYS H A 59 GLU H 1.0 . 3.0 1516 852 A 58 LYS HA A 61 ALA HB% 1.0 . 4.5 1517 853 A 59 GLU H A 58 LYS HBx 1.0 . 4.3 1518 853 A 58 LYS HBy A 59 GLU H 1.0 . 4.3 1519 854 A 60 ALA H A 58 LYS HBx 1.0 . 5.0 1520 854 A 58 LYS HBy A 60 ALA H 1.0 . 5.0 1521 855 A 60 ALA H A 58 LYS HA 1.0 . 5.0 1522 856 A 58 LYS H A 61 ALA H 1.0 . 5.5 1523 857 A 58 LYS HA A 61 ALA H 1.0 . 4.0 1524 858 A 57 ARG HA A 58 LYS H 1.0 . 4.0 1525 859 A 58 LYS H A 58 LYS HA 1.0 . 3.0 1526 860 A 59 GLU H A 59 GLU HBx 1.0 . 3.5 1527 860 A 59 GLU H A 59 GLU HBy 1.0 . 3.5 1528 861 A 59 GLU HA A 59 GLU HBx 1.0 . 3.0 1529 861 A 59 GLU HBy A 59 GLU HA 1.0 . 3.0 1530 862 A 59 GLU HA A 59 GLU HGx 1.0 . 3.5 1531 862 A 59 GLU HGy A 59 GLU HA 1.0 . 3.5 1532 863 A 59 GLU H A 59 GLU HGx 1.0 . 3.5 1533 863 A 59 GLU HGy A 59 GLU H 1.0 . 3.5 1534 864 A 59 GLU HBx A 59 GLU HGx 1.0 . 3.0 1535 864 A 59 GLU HBy A 59 GLU HGx 1.0 . 3.0 1536 864 A 59 GLU HGy A 59 GLU HBx 1.0 . 3.0 1537 864 A 59 GLU HGy A 59 GLU HBy 1.0 . 3.0 1538 865 A 59 GLU H A 61 ALA H 1.0 . 4.5 1539 866 A 59 GLU HA A 62 ALA HB% 1.0 . 4.5 1540 867 A 60 ALA H A 59 GLU HBx 1.0 . 4.3 1541 867 A 59 GLU HBy A 60 ALA H 1.0 . 4.3 1542 868 A 59 GLU H A 60 ALA H 1.0 . 3.0 1543 869 A 59 GLU H A 62 ALA H 1.0 . 5.5 1544 870 A 59 GLU HA A 62 ALA H 1.0 . 3.5 1545 871 A 63 ILE HD1% A 59 GLU HBx 1.0 . 5.0 1546 871 A 63 ILE HD1% A 59 GLU HBy 1.0 . 5.0 1547 872 A 59 GLU H A 58 LYS HA 1.0 . 4.0 1548 873 A 59 GLU H A 59 GLU HA 1.0 . 3.0 1549 874 A 60 ALA H A 60 ALA HB% 1.0 . 3.5 1550 875 A 60 ALA H A 61 ALA H 1.0 . 3.0 1551 876 A 60 ALA H A 63 ILE H 1.0 . 5.5 1552 877 A 60 ALA HA A 63 ILE HB 1.0 . 4.5 1553 878 A 60 ALA HB% A 61 ALA H 1.0 . 4.3 1554 879 A 60 ALA H A 62 ALA H 1.0 . 4.5 1555 880 A 60 ALA HA A 62 ALA H 1.0 . 4.5 1556 881 A 60 ALA HA A 63 ILE H 1.0 . 3.5 1557 882 A 63 ILE HB A 60 ALA HB% 1.0 . 5.0 1558 883 A 63 ILE HD1% A 60 ALA HB% 1.0 . 5.0 1559 884 A 60 ALA HA A 63 ILE HD1% 1.0 . 5.0 1560 885 A 60 ALA H A 59 GLU HA 1.0 . 4.0 1561 886 A 63 ILE HD1% A 60 ALA H 1.0 . 5.0 1562 887 A 60 ALA HA A 60 ALA H 1.0 . 3.0 1563 888 A 60 ALA HA A 60 ALA HB% 1.0 . 3.0 1564 889 A 61 ALA HB% A 61 ALA H 1.0 . 3.5 1565 890 A 61 ALA H A 62 ALA H 1.0 . 3.0 1566 891 A 61 ALA H A 63 ILE H 1.0 . 4.5 1567 892 A 61 ALA HB% A 62 ALA H 1.0 . 4.3 1568 893 A 63 ILE H A 61 ALA HA 1.0 . 5.0 1569 894 A 64 ARG H A 61 ALA HA 1.0 . 3.5 1570 895 A 61 ALA HA A 64 ARG HBx 1.0 . 4.5 1571 895 A 64 ARG HBy A 61 ALA HA 1.0 . 4.5 1572 896 A 60 ALA HA A 61 ALA H 1.0 . 4.0 1573 897 A 61 ALA H A 61 ALA HA 1.0 . 3.0 1574 898 A 61 ALA HB% A 61 ALA HA 1.0 . 3.0 1575 899 A 62 ALA HB% A 62 ALA H 1.0 . 3.5 1576 900 A 62 ALA H A 65 ASP H 1.0 . 5.5 1577 901 A 62 ALA HB% A 63 ILE H 1.0 . 4.3 1578 902 A 62 ALA H A 63 ILE H 1.0 . 3.0 1579 903 A 63 ILE HA A 62 ALA HB% 1.0 . 5.0 1580 904 A 62 ALA HB% A 63 ILE HG1x 1.0 . 5.0 1581 904 A 63 ILE HG1y A 62 ALA HB% 1.0 . 5.0 1582 905 A 64 ARG H A 62 ALA H 1.0 . 4.5 1583 906 A 64 ARG H A 62 ALA HA 1.0 . 4.5 1584 907 A 62 ALA HB% A 65 ASP HBx 1.0 . 5.0 1585 907 A 62 ALA HB% A 65 ASP HBy 1.0 . 5.0 1586 908 A 62 ALA HA A 65 ASP HBx 1.0 . 4.5 1587 908 A 62 ALA HA A 65 ASP HBy 1.0 . 4.5 1588 909 A 62 ALA H A 61 ALA HA 1.0 . 4.0 1589 910 A 62 ALA H A 62 ALA HA 1.0 . 3.0 1590 911 A 62 ALA HB% A 62 ALA HA 1.0 . 3.0 1591 912 A 63 ILE H A 62 ALA HA 1.0 . 4.0 1592 913 A 63 ILE HA A 63 ILE H 1.0 . 3.0 1593 914 A 63 ILE HB A 63 ILE H 1.0 . 4.0 1594 915 A 63 ILE HD1% A 63 ILE H 1.0 . 5.0 1595 916 A 63 ILE H A 63 ILE HG1x 1.0 . 3.5 1596 916 A 63 ILE HG1y A 63 ILE H 1.0 . 3.5 1597 917 A 63 ILE HA A 63 ILE HG1x 1.0 . 3.0 1598 917 A 63 ILE HA A 63 ILE HG1y 1.0 . 3.0 1599 918 A 63 ILE HA A 63 ILE HB 1.0 . 3.0 1600 919 A 63 ILE HA A 63 ILE HG2% 1.0 . 4.0 1601 920 A 63 ILE HD1% A 63 ILE HB 1.0 . 4.0 1602 921 A 63 ILE HG2% A 63 ILE H 1.0 . 4.0 1603 922 A 63 ILE HB A 63 ILE HG1x 1.0 . 3.0 1604 922 A 63 ILE HB A 63 ILE HG1y 1.0 . 3.0 1605 923 A 63 ILE HD1% A 63 ILE HG2% 1.0 . 3.0 1606 924 A 63 ILE HD1% A 63 ILE HA 1.0 . 5.0 1607 925 A 63 ILE H A 65 ASP H 1.0 . 4.5 1608 926 A 63 ILE H A 66 GLU H 1.0 . 5.5 1609 927 A 63 ILE HA A 64 ARG HBx 1.0 . 6.0 1610 927 A 63 ILE HA A 64 ARG HBy 1.0 . 6.0 1611 928 A 63 ILE HA A 66 GLU HBx 1.0 . 4.5 1612 928 A 63 ILE HA A 66 GLU HBy 1.0 . 4.5 1613 929 A 63 ILE HB A 64 ARG HGx 1.0 . 6.0 1614 929 A 63 ILE HB A 64 ARG HGy 1.0 . 6.0 1615 930 A 63 ILE HB A 64 ARG H 1.0 . 4.3 1616 931 A 63 ILE HG2% A 67 CYS HBx 1.0 . 6.0 1617 931 A 63 ILE HG2% A 67 CYS HBy 1.0 . 6.0 1618 932 A 64 ARG H A 63 ILE H 1.0 . 3.0 1619 933 A 63 ILE HA A 65 ASP H 1.0 . 4.5 1620 934 A 63 ILE HA A 66 GLU H 1.0 . 3.5 1621 935 A 63 ILE HA A 63 ILE H 1.0 . 3.0 1622 936 A 63 ILE HG2% A 63 ILE HB 1.0 . 3.0 1623 937 A 63 ILE HD1% A 63 ILE HG1x 1.0 . 3.5 1624 937 A 63 ILE HD1% A 63 ILE HG1y 1.0 . 3.5 1625 938 A 63 ILE HG2% A 35 ILE HG1x 1.0 . 5.0 1626 938 A 35 ILE HG1y A 63 ILE HG2% 1.0 . 5.0 1627 939 A 63 ILE HG2% A 35 ILE HB 1.0 . 6.0 1628 940 A 64 ARG H A 64 ARG HGx 1.0 . 4.5 1629 940 A 64 ARG H A 64 ARG HGy 1.0 . 4.5 1630 941 A 64 ARG HBx A 64 ARG HDx 1.0 . 3.5 1631 941 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.5 1632 941 A 64 ARG HDy A 64 ARG HBx 1.0 . 3.5 1633 941 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.5 1634 942 A 64 ARG HA A 64 ARG HBx 1.0 . 3.0 1635 942 A 64 ARG HBy A 64 ARG HA 1.0 . 3.0 1636 943 A 64 ARG H A 64 ARG HBx 1.0 . 3.5 1637 943 A 64 ARG HBy A 64 ARG H 1.0 . 3.5 1638 944 A 64 ARG HA A 64 ARG HGx 1.0 . 3.5 1639 944 A 64 ARG HA A 64 ARG HGy 1.0 . 3.5 1640 945 A 64 ARG HBx A 64 ARG HGx 1.0 . 3.0 1641 945 A 64 ARG HBy A 64 ARG HGx 1.0 . 3.0 1642 945 A 64 ARG HGy A 64 ARG HBx 1.0 . 3.0 1643 945 A 64 ARG HBy A 64 ARG HGy 1.0 . 3.0 1644 946 A 64 ARG HDx A 64 ARG HGx 1.0 . 3.0 1645 946 A 64 ARG HDy A 64 ARG HGx 1.0 . 3.0 1646 946 A 64 ARG HGy A 64 ARG HDx 1.0 . 3.0 1647 946 A 64 ARG HGy A 64 ARG HDy 1.0 . 3.0 1648 947 A 64 ARG HA A 67 CYS HBx 1.0 . 4.3 1649 947 A 67 CYS HBy A 64 ARG HA 1.0 . 4.3 1650 948 A 65 ASP H A 64 ARG HBx 1.0 . 4.3 1651 948 A 64 ARG HBy A 65 ASP H 1.0 . 4.3 1652 949 A 64 ARG HDy A 65 ASP HBx 1.0 . 7.0 1653 949 A 64 ARG HDx A 65 ASP HBx 1.0 . 7.0 1654 949 A 65 ASP HBy A 64 ARG HDx 1.0 . 7.0 1655 949 A 65 ASP HBy A 64 ARG HDy 1.0 . 7.0 1656 950 A 65 ASP H A 64 ARG HGx 1.0 . 5.0 1657 950 A 65 ASP H A 64 ARG HGy 1.0 . 5.0 1658 951 A 64 ARG H A 65 ASP H 1.0 . 3.0 1659 952 A 65 ASP HA A 64 ARG HGx 1.0 . 5.0 1660 952 A 64 ARG HGy A 65 ASP HA 1.0 . 5.0 1661 953 A 65 ASP HA A 64 ARG HDx 1.0 . 5.0 1662 953 A 64 ARG HDy A 65 ASP HA 1.0 . 5.0 1663 954 A 64 ARG HA A 66 GLU H 1.0 . 4.5 1664 955 A 64 ARG H A 66 GLU H 1.0 . 4.5 1665 956 A 64 ARG HA A 67 CYS H 1.0 . 3.5 1666 957 A 63 ILE HA A 64 ARG H 1.0 . 4.0 1667 958 A 64 ARG H A 64 ARG HA 1.0 . 3.0 1668 959 A 65 ASP H A 65 ASP HBx 1.0 . 3.5 1669 959 A 65 ASP H A 65 ASP HBy 1.0 . 3.5 1670 960 A 65 ASP HA A 65 ASP HBx 1.0 . 3.0 1671 960 A 65 ASP HBy A 65 ASP HA 1.0 . 3.0 1672 961 A 65 ASP H A 65 ASP HBx 1.0 . 3.5 1673 961 A 65 ASP H A 65 ASP HBy 1.0 . 3.5 1674 962 A 65 ASP H A 66 GLU H 1.0 . 3.0 1675 963 A 65 ASP H A 67 CYS H 1.0 . 4.5 1676 964 A 65 ASP HA A 66 GLU HBx 1.0 . 6.0 1677 964 A 66 GLU HBy A 65 ASP HA 1.0 . 6.0 1678 965 A 65 ASP HA A 68 GLN H 1.0 . 3.5 1679 966 A 65 ASP HBy A 66 GLU HBx 1.0 . 5.0 1680 966 A 65 ASP HBx A 66 GLU HBx 1.0 . 5.0 1681 966 A 66 GLU HBy A 65 ASP HBx 1.0 . 5.0 1682 966 A 65 ASP HBy A 66 GLU HBy 1.0 . 5.0 1683 967 A 66 GLU H A 65 ASP HBx 1.0 . 4.3 1684 967 A 65 ASP HBy A 66 GLU H 1.0 . 4.3 1685 968 A 65 ASP HBx A 67 CYS HBx 1.0 . 6.0 1686 968 A 65 ASP HBy A 67 CYS HBx 1.0 . 6.0 1687 968 A 67 CYS HBy A 65 ASP HBx 1.0 . 6.0 1688 968 A 67 CYS HBy A 65 ASP HBy 1.0 . 6.0 1689 969 A 68 GLN H A 65 ASP HBx 1.0 . 6.0 1690 969 A 65 ASP HBy A 68 GLN H 1.0 . 6.0 1691 970 A 65 ASP HBy A 68 GLN HGx 1.0 . 6.0 1692 970 A 65 ASP HBx A 68 GLN HGx 1.0 . 6.0 1693 970 A 68 GLN HGy A 65 ASP HBx 1.0 . 6.0 1694 970 A 65 ASP HBy A 68 GLN HGy 1.0 . 6.0 1695 971 A 66 GLU H A 65 ASP HBx 1.0 . 4.3 1696 971 A 65 ASP HBy A 66 GLU H 1.0 . 4.3 1697 972 A 65 ASP H A 66 GLU HGx 1.0 . 5.0 1698 972 A 65 ASP H A 66 GLU HGy 1.0 . 5.0 1699 973 A 65 ASP HA A 66 GLU HGx 1.0 . 5.0 1700 973 A 65 ASP HA A 66 GLU HGy 1.0 . 5.0 1701 974 A 65 ASP HBy A 66 GLU HGx 1.0 . 5.0 1702 974 A 65 ASP HBx A 66 GLU HGx 1.0 . 5.0 1703 974 A 66 GLU HGy A 65 ASP HBx 1.0 . 5.0 1704 974 A 65 ASP HBy A 66 GLU HGy 1.0 . 5.0 1705 975 A 65 ASP HA A 68 GLN HBx 1.0 . 4.5 1706 975 A 65 ASP HA A 68 GLN HBy 1.0 . 4.5 1707 976 A 64 ARG HA A 65 ASP H 1.0 . 4.0 1708 977 A 65 ASP H A 65 ASP HA 1.0 . 3.0 1709 978 A 66 GLU H A 66 GLU HBx 1.0 . 3.5 1710 978 A 66 GLU H A 66 GLU HBy 1.0 . 3.5 1711 979 A 66 GLU H A 66 GLU HGx 1.0 . 3.5 1712 979 A 66 GLU H A 66 GLU HGy 1.0 . 3.5 1713 980 A 66 GLU HA A 66 GLU HGx 1.0 . 3.5 1714 980 A 66 GLU HGy A 66 GLU HA 1.0 . 3.5 1715 981 A 66 GLU HA A 66 GLU HBx 1.0 . 3.0 1716 981 A 66 GLU HBy A 66 GLU HA 1.0 . 3.0 1717 982 A 66 GLU HBx A 66 GLU HGx 1.0 . 3.0 1718 982 A 66 GLU HBy A 66 GLU HGx 1.0 . 3.0 1719 982 A 66 GLU HGy A 66 GLU HBx 1.0 . 3.0 1720 982 A 66 GLU HBy A 66 GLU HGy 1.0 . 3.0 1721 983 A 66 GLU H A 67 CYS H 1.0 . 3.0 1722 984 A 66 GLU H A 68 GLN H 1.0 . 4.5 1723 985 A 66 GLU HA A 69 ALA HB% 1.0 . 4.5 1724 986 A 66 GLU HA A 69 ALA H 1.0 . 3.5 1725 987 A 67 CYS H A 66 GLU HBx 1.0 . 4.3 1726 987 A 66 GLU HBy A 67 CYS H 1.0 . 4.3 1727 988 A 67 CYS HA A 66 GLU HBx 1.0 . 6.0 1728 988 A 66 GLU HBy A 67 CYS HA 1.0 . 6.0 1729 989 A 66 GLU HBy A 67 CYS HBx 1.0 . 5.0 1730 989 A 66 GLU HBx A 67 CYS HBx 1.0 . 5.0 1731 989 A 67 CYS HBy A 66 GLU HBx 1.0 . 5.0 1732 989 A 67 CYS HBy A 66 GLU HBy 1.0 . 5.0 1733 990 A 66 GLU H A 65 ASP HA 1.0 . 4.0 1734 991 A 66 GLU H A 66 GLU HA 1.0 . 3.0 1735 992 A 67 CYS H A 67 CYS HBx 1.0 . 3.5 1736 992 A 67 CYS HBy A 67 CYS H 1.0 . 3.5 1737 993 A 67 CYS HA A 67 CYS HBx 1.0 . 3.0 1738 993 A 67 CYS HBy A 67 CYS HA 1.0 . 3.0 1739 994 A 67 CYS H A 68 GLN H 1.0 . 3.0 1740 995 A 67 CYS H A 69 ALA H 1.0 . 4.5 1741 996 A 67 CYS HA A 70 TYR HE% 1.0 . 4.0 1742 996 A 70 TYR HD% A 67 CYS HA 1.0 . 4.0 1743 997 A 67 CYS HA A 70 TYR H 1.0 . 3.5 1744 998 A 67 CYS HBy A 68 GLN HGx 1.0 . 5.0 1745 998 A 67 CYS HBx A 68 GLN HGx 1.0 . 5.0 1746 998 A 68 GLN HGy A 67 CYS HBx 1.0 . 5.0 1747 998 A 67 CYS HBy A 68 GLN HGy 1.0 . 5.0 1748 999 A 68 GLN H A 67 CYS HBx 1.0 . 4.3 1749 999 A 67 CYS HBy A 68 GLN H 1.0 . 4.3 1750 1000 A 67 CYS H A 68 GLN HA 1.0 . 6.0 1751 1001 A 67 CYS HA A 70 TYR HBx 1.0 . 4.5 1752 1001 A 70 TYR HBy A 67 CYS HA 1.0 . 4.5 1753 1002 A 67 CYS H A 70 TYR H 1.0 . 6.0 1754 1003 A 67 CYS H A 66 GLU HA 1.0 . 4.0 1755 1004 A 67 CYS H A 67 CYS HA 1.0 . 3.0 1756 1005 A 68 GLN H A 68 GLN HBx 1.0 . 3.0 1757 1005 A 68 GLN H A 68 GLN HBy 1.0 . 3.0 1758 1006 A 68 GLN H A 68 GLN HGx 1.0 . 4.5 1759 1006 A 68 GLN H A 68 GLN HGy 1.0 . 4.5 1760 1007 A 68 GLN HA A 68 GLN HBx 1.0 . 3.0 1761 1007 A 68 GLN HBy A 68 GLN HA 1.0 . 3.0 1762 1008 A 68 GLN HBx A 68 GLN HGx 1.0 . 3.0 1763 1008 A 68 GLN HGy A 68 GLN HBx 1.0 . 3.0 1764 1008 A 68 GLN HGy A 68 GLN HBy 1.0 . 3.0 1765 1008 A 68 GLN HBy A 68 GLN HGx 1.0 . 3.0 1766 1009 A 68 GLN HA A 68 GLN HGx 1.0 . 3.0 1767 1009 A 68 GLN HGy A 68 GLN HA 1.0 . 3.0 1768 1010 A 68 GLN H A 69 ALA H 1.0 . 3.0 1769 1011 A 68 GLN H A 70 TYR HE% 1.0 . 5.0 1770 1011 A 70 TYR HD% A 68 GLN H 1.0 . 5.0 1771 1012 A 69 ALA H A 68 GLN HBx 1.0 . 4.3 1772 1012 A 68 GLN HBy A 69 ALA H 1.0 . 4.3 1773 1013 A 70 TYR H A 68 GLN HA 1.0 . 4.5 1774 1014 A 68 GLN HGx A 73 ASN HBy 1.0 . 6.0 1775 1014 A 68 GLN HGy A 73 ASN HBy 1.0 . 6.0 1776 1014 A 73 ASN HBx A 68 GLN HGx 1.0 . 6.0 1777 1014 A 68 GLN HGy A 73 ASN HBx 1.0 . 6.0 1778 1015 A 68 GLN H A 67 CYS HA 1.0 . 4.0 1779 1016 A 68 GLN H A 68 GLN HA 1.0 . 3.0 1780 1017 A 69 ALA HB% A 69 ALA H 1.0 . 3.5 1781 1018 A 70 TYR HD% A 69 ALA H 1.0 . 5.0 1782 1019 A 69 ALA H A 71 ARG H 1.0 . 4.5 1783 1020 A 69 ALA HB% A 70 TYR HE% 1.0 . 5.0 1784 1020 A 70 TYR HD% A 69 ALA HB% 1.0 . 5.0 1785 1021 A 69 ALA HB% A 72 HIS H 1.0 . 5.0 1786 1022 A 69 ALA H A 70 TYR H 1.0 . 3.0 1787 1023 A 69 ALA HB% A 70 TYR H 1.0 . 4.3 1788 1024 A 69 ALA HB% A 70 TYR HA 1.0 . 5.0 1789 1025 A 71 ARG H A 69 ALA HA 1.0 . 4.5 1790 1026 A 69 ALA H A 68 GLN HA 1.0 . 4.0 1791 1027 A 69 ALA H A 69 ALA HA 1.0 . 3.0 1792 1028 A 69 ALA HB% A 69 ALA HA 1.0 . 3.0 1793 1029 A 70 TYR H A 70 TYR HBx 1.0 . 3.5 1794 1029 A 70 TYR HBy A 70 TYR H 1.0 . 3.5 1795 1030 A 70 TYR HD% A 70 TYR H 1.0 . 5.5 1796 1031 A 70 TYR H A 70 TYR HE% 1.0 . 6.0 1797 1032 A 70 TYR HA A 70 TYR HBx 1.0 . 3.0 1798 1032 A 70 TYR HBy A 70 TYR HA 1.0 . 3.0 1799 1033 A 70 TYR HA A 70 TYR HE% 1.0 . 6.0 1800 1033 A 70 TYR HD% A 70 TYR HA 1.0 . 6.0 1801 1034 A 70 TYR H A 71 ARG H 1.0 . 3.0 1802 1035 A 70 TYR HA A 71 ARG HBy 1.0 . 5.0 1803 1035 A 70 TYR HA A 71 ARG HBx 1.0 . 5.0 1804 1036 A 71 ARG H A 70 TYR HBx 1.0 . 4.3 1805 1036 A 70 TYR HBy A 71 ARG H 1.0 . 4.3 1806 1037 A 71 ARG H A 70 TYR HE% 1.0 . 5.0 1807 1037 A 70 TYR HD% A 71 ARG H 1.0 . 5.0 1808 1038 A 70 TYR H A 69 ALA HA 1.0 . 4.0 1809 1039 A 70 TYR H A 70 TYR HA 1.0 . 3.0 1810 1040 A 70 TYR HBy A 72 HIS HBx 1.0 . 5.5 1811 1040 A 70 TYR HBx A 72 HIS HBx 1.0 . 5.5 1812 1040 A 72 HIS HBy A 70 TYR HBx 1.0 . 5.5 1813 1040 A 70 TYR HBy A 72 HIS HBy 1.0 . 5.5 1814 1041 A 70 TYR HD% A 70 TYR HBy 1.0 . 6.0 1815 1041 A 70 TYR HBy A 70 TYR HE% 1.0 . 6.0 1816 1041 A 70 TYR HE% A 70 TYR HBx 1.0 . 6.0 1817 1041 A 70 TYR HD% A 70 TYR HBx 1.0 . 6.0 1818 1042 A 71 ARG H A 71 ARG HGx 1.0 . 4.5 1819 1042 A 71 ARG H A 71 ARG HGy 1.0 . 4.5 1820 1043 A 71 ARG HA A 71 ARG HDx 1.0 . 4.0 1821 1043 A 71 ARG HDy A 71 ARG HA 1.0 . 4.0 1822 1044 A 71 ARG HBy A 71 ARG HDx 1.0 . 3.5 1823 1044 A 71 ARG HBx A 71 ARG HDx 1.0 . 3.5 1824 1044 A 71 ARG HDy A 71 ARG HBy 1.0 . 3.5 1825 1044 A 71 ARG HDy A 71 ARG HBx 1.0 . 3.5 1826 1045 A 71 ARG HA A 71 ARG HBy 1.0 . 3.0 1827 1045 A 71 ARG HBx A 71 ARG HA 1.0 . 3.0 1828 1046 A 71 ARG H A 71 ARG HBy 1.0 . 3.5 1829 1046 A 71 ARG H A 71 ARG HBx 1.0 . 3.5 1830 1047 A 71 ARG HBy A 71 ARG HGx 1.0 . 3.0 1831 1047 A 71 ARG HBx A 71 ARG HGx 1.0 . 3.0 1832 1047 A 71 ARG HGy A 71 ARG HBy 1.0 . 3.0 1833 1047 A 71 ARG HBx A 71 ARG HGy 1.0 . 3.0 1834 1048 A 71 ARG HDx A 71 ARG HGx 1.0 . 3.0 1835 1048 A 71 ARG HDy A 71 ARG HGx 1.0 . 3.0 1836 1048 A 71 ARG HGy A 71 ARG HDx 1.0 . 3.0 1837 1048 A 71 ARG HDy A 71 ARG HGy 1.0 . 3.0 1838 1049 A 71 ARG HA A 71 ARG HGx 1.0 . 3.5 1839 1049 A 71 ARG HGy A 71 ARG HA 1.0 . 3.5 1840 1050 A 71 ARG H A 72 HIS HA 1.0 . 5.5 1841 1051 A 71 ARG H A 72 HIS H 1.0 . 3.0 1842 1052 A 71 ARG H A 70 TYR HA 1.0 . 4.0 1843 1053 A 71 ARG H A 71 ARG HA 1.0 . 3.0 1844 1054 A 72 HIS HA A 72 HIS HD2 1.0 . 5.0 1845 1055 A 72 HIS HA A 72 HIS HE1 1.0 . 6.5 1846 1056 A 72 HIS HA A 72 HIS HBx 1.0 . 3.0 1847 1056 A 72 HIS HBy A 72 HIS HA 1.0 . 3.0 1848 1057 A 72 HIS H A 73 ASN H 1.0 . 3.0 1849 1058 A 72 HIS HA A 73 ASN HBy 1.0 . 5.0 1850 1058 A 73 ASN HBx A 72 HIS HA 1.0 . 5.0 1851 1059 A 72 HIS HBx A 73 ASN HBy 1.0 . 5.0 1852 1059 A 72 HIS HBy A 73 ASN HBy 1.0 . 5.0 1853 1059 A 73 ASN HBx A 72 HIS HBx 1.0 . 5.0 1854 1059 A 72 HIS HBy A 73 ASN HBx 1.0 . 5.0 1855 1060 A 72 HIS H A 72 HIS HA 1.0 . 3.0 1856 1061 A 72 HIS HE1 A 72 HIS HBx 1.0 . 5.5 1857 1061 A 72 HIS HBy A 72 HIS HE1 1.0 . 5.5 1858 1062 A 69 ALA HA A 73 ASN H 1.0 . 5.0 1859 1063 A 73 ASN HA A 73 ASN HBy 1.0 . 3.0 1860 1063 A 73 ASN HBx A 73 ASN HA 1.0 . 3.0 1861 1064 A 70 TYR HBy A 73 ASN HBy 1.0 . 5.5 1862 1064 A 70 TYR HBx A 73 ASN HBy 1.0 . 5.5 1863 1064 A 73 ASN HBx A 70 TYR HBx 1.0 . 5.5 1864 1064 A 70 TYR HBy A 73 ASN HBx 1.0 . 5.5 1865 1065 A 72 HIS HA A 73 ASN H 1.0 . 4.0 1866 1066 A 73 ASN H A 73 ASN HA 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 9 GLN H A 5 ALA O 1.0 . 2.0 2 2 A 5 ALA O A 9 GLN N 1.0 . 3.0 3 3 A 10 ARG H A 6 GLU O 1.0 . 2.0 4 4 A 6 GLU O A 10 ARG N 1.0 . 3.0 5 5 A 11 LEU H A 7 PHE O 1.0 . 2.0 6 6 A 7 PHE O A 11 LEU N 1.0 . 3.0 7 7 A 12 ALA H A 8 LYS O 1.0 . 2.0 8 8 A 8 LYS O A 12 ALA N 1.0 . 3.0 9 9 A 13 ALA H A 9 GLN O 1.0 . 2.0 10 10 A 9 GLN O A 13 ALA N 1.0 . 3.0 11 11 A 14 ILE H A 10 ARG O 1.0 . 2.0 12 12 A 10 ARG O A 14 ILE N 1.0 . 3.0 13 13 A 15 LYS H A 11 LEU O 1.0 . 2.0 14 14 A 11 LEU O A 15 LYS N 1.0 . 3.0 15 15 A 16 THR H A 12 ALA O 1.0 . 2.0 16 16 A 12 ALA O A 16 THR N 1.0 . 3.0 17 17 A 17 ARG H A 13 ALA O 1.0 . 2.0 18 18 A 13 ALA O A 17 ARG N 1.0 . 3.0 19 19 A 18 CYS H A 14 ILE O 1.0 . 2.0 20 20 A 14 ILE O A 18 CYS N 1.0 . 3.0 21 21 A 19 GLN H A 15 LYS O 1.0 . 2.0 22 22 A 15 LYS O A 19 GLN N 1.0 . 3.0 23 23 A 20 ALA H A 16 THR O 1.0 . 2.0 24 24 A 16 THR O A 20 ALA N 1.0 . 3.0 25 25 A 31 PHE H A 27 GLU O 1.0 . 2.0 26 26 A 27 GLU O A 31 PHE N 1.0 . 3.0 27 27 A 32 GLU H A 28 CYS O 1.0 . 2.0 28 28 A 28 CYS O A 32 GLU N 1.0 . 3.0 29 29 A 33 LYS H A 29 ALA O 1.0 . 2.0 30 30 A 29 ALA O A 33 LYS N 1.0 . 3.0 31 31 A 34 GLU H A 30 ALA O 1.0 . 2.0 32 32 A 30 ALA O A 34 GLU N 1.0 . 3.0 33 33 A 35 ILE H A 31 PHE O 1.0 . 2.0 34 34 A 31 PHE O A 35 ILE N 1.0 . 3.0 35 35 A 36 ALA H A 32 GLU O 1.0 . 2.0 36 36 A 32 GLU O A 36 ALA N 1.0 . 3.0 37 37 A 37 ALA H A 33 LYS O 1.0 . 2.0 38 38 A 33 LYS O A 37 ALA N 1.0 . 3.0 39 39 A 38 PHE H A 34 GLU O 1.0 . 2.0 40 40 A 34 GLU O A 38 PHE N 1.0 . 3.0 41 41 A 39 GLU H A 35 ILE O 1.0 . 2.0 42 42 A 35 ILE O A 39 GLU N 1.0 . 3.0 43 43 A 40 SER H A 36 ALA O 1.0 . 2.0 44 44 A 36 ALA O A 40 SER N 1.0 . 3.0 45 45 A 41 GLU H A 37 ALA O 1.0 . 2.0 46 46 A 37 ALA O A 41 GLU N 1.0 . 3.0 47 47 A 42 LEU H A 38 PHE O 1.0 . 2.0 48 48 A 38 PHE O A 42 LEU N 1.0 . 3.0 49 49 A 43 GLN H A 39 GLU O 1.0 . 2.0 50 50 A 39 GLU O A 43 GLN N 1.0 . 3.0 51 51 A 57 ARG H A 53 VAL O 1.0 . 2.0 52 52 A 53 VAL O A 57 ARG N 1.0 . 3.0 53 53 A 58 LYS H A 54 GLU O 1.0 . 2.0 54 54 A 54 GLU O A 58 LYS N 1.0 . 3.0 55 55 A 59 GLU H A 55 ALA O 1.0 . 2.0 56 56 A 55 ALA O A 59 GLU N 1.0 . 3.0 57 57 A 60 ALA H A 56 LEU O 1.0 . 2.0 58 58 A 56 LEU O A 60 ALA N 1.0 . 3.0 59 59 A 61 ALA H A 57 ARG O 1.0 . 2.0 60 60 A 57 ARG O A 61 ALA N 1.0 . 3.0 61 61 A 62 ALA H A 58 LYS O 1.0 . 2.0 62 62 A 58 LYS O A 62 ALA N 1.0 . 3.0 63 63 A 63 ILE H A 59 GLU O 1.0 . 2.0 64 64 A 59 GLU O A 63 ILE N 1.0 . 3.0 65 65 A 64 ARG H A 60 ALA O 1.0 . 2.0 66 66 A 60 ALA O A 64 ARG N 1.0 . 3.0 67 67 A 65 ASP H A 61 ALA O 1.0 . 2.0 68 68 A 61 ALA O A 65 ASP N 1.0 . 3.0 69 69 A 66 GLU H A 62 ALA O 1.0 . 2.0 70 70 A 62 ALA O A 66 GLU N 1.0 . 3.0 71 71 A 67 CYS H A 63 ILE O 1.0 . 2.0 72 72 A 63 ILE O A 67 CYS N 1.0 . 3.0 73 73 A 68 GLN H A 64 ARG O 1.0 . 2.0 74 74 A 64 ARG O A 68 GLN N 1.0 . 3.0 75 75 A 69 ALA H A 65 ASP O 1.0 . 2.0 76 76 A 65 ASP O A 69 ALA N 1.0 . 3.0 77 77 A 70 TYR H A 66 GLU O 1.0 . 2.5 78 78 A 66 GLU O A 70 TYR N 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type undefined _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 1 MET C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 42.6 82.6 PHI 2 2 A 2 GLY N A 2 GLY CA A 2 GLY C A 3 SER N 1.0 -152.8 -112.8 PSI 3 3 A 2 GLY C A 3 SER N A 3 SER CA A 3 SER C 1.0 -124.5 -41.9 PHI 4 4 A 3 SER N A 3 SER CA A 3 SER C A 4 TRP N 1.0 -43.5 34.5 PSI 5 5 A 3 SER C A 4 TRP N A 4 TRP CA A 4 TRP C 1.0 -83.9 -43.9 PHI 6 6 A 4 TRP N A 4 TRP CA A 4 TRP C A 5 ALA N 1.0 -67.2 -9.8 PSI 7 7 A 4 TRP C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -82.9 -42.9 PHI 8 8 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 GLU N 1.0 -64.1 -24.1 PSI 9 9 A 5 ALA C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -85.1 -45.1 PHI 10 10 A 6 GLU N A 6 GLU CA A 6 GLU C A 7 PHE N 1.0 -61.0 -21.0 PSI 11 11 A 6 GLU C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -83.9 -43.9 PHI 12 12 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 LYS N 1.0 -65.1 -25.1 PSI 13 13 A 7 PHE N A 7 PHE CA A 7 PHE CB A 7 PHE CG 1.0 -178.4 7.6 CHI1 14 14 A 7 PHE C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -83.7 -43.7 PHI 15 15 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 GLN N 1.0 -59.6 -19.6 PSI 16 16 A 8 LYS C A 9 GLN N A 9 GLN CA A 9 GLN C 1.0 -88.2 -48.2 PHI 17 17 A 9 GLN N A 9 GLN CA A 9 GLN C A 10 ARG N 1.0 -58.6 -18.6 PSI 18 18 A 9 GLN C A 10 ARG N A 10 ARG CA A 10 ARG C 1.0 -85.5 -45.5 PHI 19 19 A 10 ARG N A 10 ARG CA A 10 ARG C A 11 LEU N 1.0 -61.2 -21.2 PSI 20 20 A 10 ARG C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -84.6 -44.6 PHI 21 21 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ALA N 1.0 -59.4 -19.4 PSI 22 22 A 11 LEU C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -84.2 -44.2 PHI 23 23 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ALA N 1.0 -60.1 -20.1 PSI 24 24 A 12 ALA C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -86.1 -46.1 PHI 25 25 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ILE N 1.0 -60.3 -20.3 PSI 26 26 A 13 ALA C A 14 ILE N A 14 ILE CA A 14 ILE C 1.0 -85.0 -45.0 PHI 27 27 A 14 ILE N A 14 ILE CA A 14 ILE C A 15 LYS N 1.0 -63.9 -23.9 PSI 28 28 A 14 ILE N A 14 ILE CA A 14 ILE CB A 14 ILE CG1 1.0 -66.8 3.4 CHI1 29 29 A 14 ILE C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -82.1 -42.1 PHI 30 30 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 THR N 1.0 -61.1 -21.1 PSI 31 31 A 15 LYS C A 16 THR N A 16 THR CA A 16 THR C 1.0 -83.9 -43.9 PHI 32 32 A 16 THR N A 16 THR CA A 16 THR C A 17 ARG N 1.0 -60.0 -20.0 PSI 33 33 A 16 THR N A 16 THR CA A 16 THR CB A 16 THR OG1 1.0 -62.2 8.3 CHI1 34 34 A 16 THR C A 17 ARG N A 17 ARG CA A 17 ARG C 1.0 -85.1 -45.1 PHI 35 35 A 17 ARG N A 17 ARG CA A 17 ARG C A 18 CYS N 1.0 -61.3 -21.3 PSI 36 36 A 17 ARG C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -83.2 -43.2 PHI 37 37 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 GLN N 1.0 -56.3 -16.3 PSI 38 38 A 18 CYS C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -88.6 -48.6 PHI 39 39 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 ALA N 1.0 -43.6 -3.6 PSI 40 40 A 19 GLN N A 19 GLN CA A 19 GLN CB A 19 GLN CG 1.0 -63.6 8.9 CHI1 41 41 A 19 GLN C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -105.4 -65.4 PHI 42 42 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LEU N 1.0 -30.2 9.8 PSI 43 43 A 21 LEU N A 21 LEU CA A 21 LEU CB A 21 LEU CG 1.0 -72.0 12.5 CHI1 44 44 A 24 SER C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -76.5 -36.5 PHI 45 45 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 ALA N 1.0 -60.3 -20.3 PSI 46 46 A 25 GLU C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -84.2 -44.2 PHI 47 47 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -59.0 -19.0 PSI 48 48 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -87.5 -47.5 PHI 49 49 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 CYS N 1.0 -60.7 -20.7 PSI 50 50 A 27 GLU C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -84.3 -44.3 PHI 51 51 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 ALA N 1.0 -62.1 -22.1 PSI 52 52 A 28 CYS N A 28 CYS CA A 28 CYS CB A 28 CYS SG 1.0 -68.4 6.5 CHI1 53 53 A 28 CYS C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -84.5 -44.5 PHI 54 54 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ALA N 1.0 -61.5 -21.5 PSI 55 55 A 29 ALA C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -85.8 -45.8 PHI 56 56 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 PHE N 1.0 -58.8 -18.8 PSI 57 57 A 30 ALA C A 31 PHE N A 31 PHE CA A 31 PHE C 1.0 -85.5 -45.5 PHI 58 58 A 31 PHE N A 31 PHE CA A 31 PHE C A 32 GLU N 1.0 -64.2 -24.2 PSI 59 59 A 31 PHE N A 31 PHE CA A 31 PHE CB A 31 PHE CG 1.0 -179.7 8.1 CHI1 60 60 A 31 PHE C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -82.3 -42.3 PHI 61 61 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 LYS N 1.0 -59.7 -19.7 PSI 62 62 A 32 GLU C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -84.8 -44.8 PHI 63 63 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 GLU N 1.0 -60.7 -20.7 PSI 64 64 A 33 LYS C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -84.8 -44.8 PHI 65 65 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 ILE N 1.0 -60.9 -20.9 PSI 66 66 A 34 GLU C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -84.2 -44.2 PHI 67 67 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ALA N 1.0 -60.9 -20.9 PSI 68 68 A 35 ILE N A 35 ILE CA A 35 ILE CB A 35 ILE CG1 1.0 -69.1 4.6 CHI1 69 69 A 35 ILE C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -84.0 -44.0 PHI 70 70 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ALA N 1.0 -60.1 -20.1 PSI 71 71 A 36 ALA C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -87.1 -47.1 PHI 72 72 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 PHE N 1.0 -57.1 -17.1 PSI 73 73 A 37 ALA C A 38 PHE N A 38 PHE CA A 38 PHE C 1.0 -85.6 -45.6 PHI 74 74 A 38 PHE N A 38 PHE CA A 38 PHE C A 39 GLU N 1.0 -66.1 -26.1 PSI 75 75 A 38 PHE N A 38 PHE CA A 38 PHE CB A 38 PHE CG 1.0 179.9 368.2 CHI1 76 76 A 38 PHE C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -81.6 -41.6 PHI 77 77 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 SER N 1.0 -60.6 -20.6 PSI 78 78 A 39 GLU C A 40 SER N A 40 SER CA A 40 SER C 1.0 -85.0 -45.0 PHI 79 79 A 40 SER N A 40 SER CA A 40 SER C A 41 GLU N 1.0 -57.8 -17.8 PSI 80 80 A 40 SER C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -87.4 -47.4 PHI 81 81 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 LEU N 1.0 -59.6 -19.6 PSI 82 82 A 41 GLU C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -86.9 -46.9 PHI 83 83 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 GLN N 1.0 -57.3 -17.3 PSI 84 84 A 42 LEU N A 42 LEU CA A 42 LEU CB A 42 LEU CG 1.0 -69.6 6.1 CHI1 85 85 A 42 LEU C A 43 GLN N A 43 GLN CA A 43 GLN C 1.0 -87.5 -47.5 PHI 86 86 A 43 GLN N A 43 GLN CA A 43 GLN C A 44 ALA N 1.0 -52.3 -12.3 PSI 87 87 A 43 GLN C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -87.4 -47.4 PHI 88 88 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 TYR N 1.0 -55.5 -15.5 PSI 89 89 A 44 ALA C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -86.3 -46.3 PHI 90 90 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LYS N 1.0 -64.4 -24.4 PSI 91 91 A 45 TYR N A 45 TYR CA A 45 TYR CB A 45 TYR CG 1.0 178.2 366.9 CHI1 92 92 A 51 PRO N A 51 PRO CA A 51 PRO C A 52 GLU N 1.0 -55.9 -15.9 PSI 93 93 A 51 PRO C A 52 GLU N A 52 GLU CA A 52 GLU C 1.0 -86.0 -46.0 PHI 94 94 A 52 GLU N A 52 GLU CA A 52 GLU C A 53 VAL N 1.0 -58.7 -18.7 PSI 95 95 A 52 GLU C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -88.1 -48.1 PHI 96 96 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 GLU N 1.0 -61.0 -21.0 PSI 97 97 A 53 VAL N A 53 VAL CA A 53 VAL CB A 53 VAL CG1 1.0 175.1 365.3 CHI1 98 98 A 53 VAL C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -85.2 -45.2 PHI 99 99 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 ALA N 1.0 -60.0 -20.0 PSI 100 100 A 54 GLU C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -85.5 -45.5 PHI 101 101 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 LEU N 1.0 -59.8 -19.8 PSI 102 102 A 55 ALA C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -84.6 -44.6 PHI 103 103 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ARG N 1.0 -64.0 -24.0 PSI 104 104 A 56 LEU C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -83.1 -43.1 PHI 105 105 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 LYS N 1.0 -61.5 -21.5 PSI 106 106 A 57 ARG C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -85.8 -45.8 PHI 107 107 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLU N 1.0 -60.5 -20.5 PSI 108 108 A 58 LYS C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -86.2 -46.2 PHI 109 109 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 ALA N 1.0 -60.8 -20.8 PSI 110 110 A 59 GLU C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -84.1 -44.1 PHI 111 111 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 ALA N 1.0 -58.3 -18.3 PSI 112 112 A 60 ALA C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -86.5 -46.5 PHI 113 113 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 ALA N 1.0 -60.9 -20.9 PSI 114 114 A 61 ALA C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -85.3 -45.3 PHI 115 115 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 ILE N 1.0 -59.7 -19.7 PSI 116 116 A 62 ALA C A 63 ILE N A 63 ILE CA A 63 ILE C 1.0 -85.3 -45.3 PHI 117 117 A 63 ILE N A 63 ILE CA A 63 ILE C A 64 ARG N 1.0 -62.7 -22.7 PSI 118 118 A 63 ILE N A 63 ILE CA A 63 ILE CB A 63 ILE CG1 1.0 -67.7 4.6 CHI1 119 119 A 63 ILE C A 64 ARG N A 64 ARG CA A 64 ARG C 1.0 -83.3 -43.3 PHI 120 120 A 64 ARG N A 64 ARG CA A 64 ARG C A 65 ASP N 1.0 -60.2 -20.2 PSI 121 121 A 64 ARG C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -85.7 -45.7 PHI 122 122 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 GLU N 1.0 -59.3 -19.3 PSI 123 123 A 65 ASP N A 65 ASP CA A 65 ASP CB A 65 ASP CG 1.0 -74.9 6.4 CHI1 124 124 A 65 ASP C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -88.1 -48.1 PHI 125 125 A 66 GLU N A 66 GLU CA A 66 GLU C A 67 CYS N 1.0 -60.2 -20.2 PSI 126 126 A 66 GLU C A 67 CYS N A 67 CYS CA A 67 CYS C 1.0 -85.2 -45.2 PHI 127 127 A 67 CYS N A 67 CYS CA A 67 CYS C A 68 GLN N 1.0 -57.7 -17.7 PSI 128 128 A 67 CYS N A 67 CYS CA A 67 CYS CB A 67 CYS SG 1.0 -67.9 6.4 CHI1 129 129 A 67 CYS C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -87.4 -47.4 PHI 130 130 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 ALA N 1.0 -54.9 -14.9 PSI 131 131 A 68 GLN N A 68 GLN CA A 68 GLN CB A 68 GLN CG 1.0 -65.3 9.8 CHI1 132 132 A 68 GLN C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -87.5 -47.5 PHI 133 133 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 TYR N 1.0 -46.4 -6.4 PSI 134 134 A 69 ALA C A 70 TYR N A 70 TYR CA A 70 TYR C 1.0 -118.7 -60.4 PHI 135 135 A 70 TYR N A 70 TYR CA A 70 TYR C A 71 ARG N 1.0 -38.0 19.9 PSI 136 136 A 70 TYR N A 70 TYR CA A 70 TYR CB A 70 TYR CG 1.0 -61.1 8.0 CHI1 stop_ save_