data_nef_c25229_2muq 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 2MUQ BMRB 25229 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 30 HIS NE2 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 11 CYS SG 2 1 ZN ZN 1 14 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 SER start . . 2 A 2 HIS middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 ALA middle . . 7 A 7 ALA middle . . 8 A 8 LEU middle . . 9 A 9 ARG middle . . 10 A 10 SER middle . . 11 A 11 CYS middle -HG . 12 A 12 PRO middle . false 13 A 13 MET middle . . 14 A 14 CYS middle -HG . 15 A 15 GLN middle . . 16 A 16 LYS middle . . 17 A 17 GLU middle . . 18 A 18 PHE middle . . 19 A 19 ALA middle . . 20 A 20 PRO middle . false 21 A 21 ARG middle . . 22 A 22 LEU middle . . 23 A 23 THR middle . . 24 A 24 GLN middle . . 25 A 25 LEU middle . . 26 A 26 ASP middle . . 27 A 27 VAL middle . . 28 A 28 ASP middle . . 29 A 29 SER middle . . 30 A 30 HIS middle -HE2 . 31 A 31 LEU middle . . 32 A 32 ALA middle . . 33 A 33 GLN middle . . 34 A 34 CYS middle -HG . 35 A 35 LEU middle . . 36 A 36 ALA middle . . 37 A 37 GLU middle . . 38 A 38 SER middle . . 39 A 39 THR middle . . 40 A 40 GLU middle . . 41 A 41 ASP middle . . 42 A 42 VAL middle . . 43 A 43 THR middle . . 44 A 44 TRP end . . 45 B 1 ZN . . . 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 2 HIS HA H 1 4.650 0.020 A 2 HIS HB2 H 1 3.117 0.020 A 2 HIS HB3 H 1 3.117 0.020 A 2 HIS HD2 H 1 7.053 0.020 A 2 HIS HE1 H 1 7.880 0.020 A 2 HIS CA C 13 56.178 0.400 A 2 HIS CB C 13 31.096 0.400 A 2 HIS CD2 C 13 119.559 0.400 A 2 HIS CE1 C 13 138.247 0.400 A 3 MET HA H 1 4.450 0.020 A 3 MET HBx H 1 1.946 0.020 A 3 MET HBy H 1 2.077 0.020 A 3 MET HE% H 1 2.074 0.020 A 3 MET HGx H 1 2.449 0.020 A 3 MET HGy H 1 2.539 0.020 A 3 MET CA C 13 55.668 0.400 A 3 MET CB C 13 32.804 0.400 A 3 MET CE C 13 16.817 0.400 A 3 MET CG C 13 31.869 0.400 A 4 GLY H H 1 8.423 0.020 A 4 GLY HA2 H 1 3.947 0.020 A 4 GLY HA3 H 1 3.947 0.020 A 4 GLY CA C 13 45.269 0.400 A 4 GLY N N 15 110.404 0.400 A 5 ALA H H 1 8.191 0.020 A 5 ALA HA H 1 4.282 0.020 A 5 ALA HB% H 1 1.378 0.020 A 5 ALA CA C 13 52.493 0.400 A 5 ALA CB C 13 19.310 0.400 A 5 ALA N N 15 124.042 0.400 A 6 ALA H H 1 8.243 0.020 A 6 ALA HA H 1 4.283 0.020 A 6 ALA HB% H 1 1.369 0.020 A 6 ALA CA C 13 52.383 0.400 A 6 ALA CB C 13 19.313 0.400 A 6 ALA N N 15 122.851 0.400 A 7 ALA H H 1 8.167 0.020 A 7 ALA HA H 1 4.299 0.020 A 7 ALA HB% H 1 1.363 0.020 A 7 ALA CA C 13 52.266 0.400 A 7 ALA CB C 13 19.285 0.400 A 7 ALA N N 15 123.014 0.400 A 8 LEU H H 1 8.137 0.020 A 8 LEU HA H 1 4.428 0.020 A 8 LEU HB2 H 1 1.703 0.020 A 8 LEU HB3 H 1 1.703 0.020 A 8 LEU HDx% H 1 0.963 0.020 A 8 LEU HDy% H 1 0.985 0.020 A 8 LEU HG H 1 1.740 0.020 A 8 LEU CA C 13 54.962 0.400 A 8 LEU CB C 13 42.812 0.400 A 8 LEU CD1 C 13 23.713 0.400 A 8 LEU CD2 C 13 25.372 0.400 A 8 LEU CG C 13 27.101 0.400 A 8 LEU N N 15 121.468 0.400 A 9 ARG H H 1 8.661 0.020 A 9 ARG HA H 1 4.551 0.020 A 9 ARG HBx H 1 1.915 0.020 A 9 ARG HBy H 1 2.054 0.020 A 9 ARG HDx H 1 3.181 0.020 A 9 ARG HDy H 1 3.303 0.020 A 9 ARG HG2 H 1 1.796 0.020 A 9 ARG HG3 H 1 1.796 0.020 A 9 ARG CA C 13 56.074 0.400 A 9 ARG CB C 13 31.407 0.400 A 9 ARG CD C 13 43.267 0.400 A 9 ARG CG C 13 26.640 0.400 A 9 ARG N N 15 121.900 0.400 A 10 SER H H 1 7.916 0.020 A 10 SER HA H 1 4.699 0.020 A 10 SER HBx H 1 3.218 0.020 A 10 SER HBy H 1 3.445 0.020 A 10 SER CA C 13 56.024 0.400 A 10 SER CB C 13 65.807 0.400 A 10 SER N N 15 113.434 0.400 A 11 CYS H H 1 8.173 0.020 A 11 CYS HA H 1 4.672 0.020 A 11 CYS HBx H 1 2.508 0.020 A 11 CYS HBy H 1 3.129 0.020 A 11 CYS CA C 13 56.159 0.400 A 11 CYS CB C 13 31.388 0.400 A 11 CYS N N 15 125.462 0.400 A 12 PRO HA H 1 4.476 0.020 A 12 PRO HBx H 1 2.029 0.020 A 12 PRO HBy H 1 2.380 0.020 A 12 PRO HDx H 1 4.118 0.020 A 12 PRO HDy H 1 4.239 0.020 A 12 PRO HGx H 1 2.028 0.020 A 12 PRO HGy H 1 2.143 0.020 A 12 PRO CA C 13 64.257 0.400 A 12 PRO CB C 13 32.185 0.400 A 12 PRO CD C 13 51.264 0.400 A 12 PRO CG C 13 27.050 0.400 A 13 MET H H 1 9.132 0.020 A 13 MET HA H 1 4.549 0.020 A 13 MET HBx H 1 2.185 0.020 A 13 MET HBy H 1 2.310 0.020 A 13 MET HE% H 1 2.190 0.020 A 13 MET HGx H 1 2.415 0.020 A 13 MET HGy H 1 2.628 0.020 A 13 MET CA C 13 57.426 0.400 A 13 MET CB C 13 33.451 0.400 A 13 MET CE C 13 17.895 0.400 A 13 MET CG C 13 33.191 0.400 A 13 MET N N 15 120.537 0.400 A 14 CYS H H 1 8.331 0.020 A 14 CYS HA H 1 4.943 0.020 A 14 CYS HBx H 1 2.650 0.020 A 14 CYS HBy H 1 3.251 0.020 A 14 CYS CA C 13 58.945 0.400 A 14 CYS CB C 13 31.882 0.400 A 14 CYS N N 15 118.266 0.400 A 15 GLN H H 1 7.789 0.020 A 15 GLN HA H 1 4.010 0.020 A 15 GLN HBx H 1 2.258 0.020 A 15 GLN HBy H 1 2.376 0.020 A 15 GLN HG2 H 1 2.182 0.020 A 15 GLN HG3 H 1 2.182 0.020 A 15 GLN CA C 13 58.046 0.400 A 15 GLN CB C 13 25.591 0.400 A 15 GLN CG C 13 34.231 0.400 A 15 GLN N N 15 115.660 0.400 A 16 LYS H H 1 8.222 0.020 A 16 LYS HA H 1 3.975 0.020 A 16 LYS HBx H 1 1.146 0.020 A 16 LYS HBy H 1 1.797 0.020 A 16 LYS HDx H 1 1.200 0.020 A 16 LYS HDy H 1 1.412 0.020 A 16 LYS HE2 H 1 2.853 0.020 A 16 LYS HE3 H 1 2.853 0.020 A 16 LYS HGx H 1 0.921 0.020 A 16 LYS HGy H 1 1.118 0.020 A 16 LYS CA C 13 57.336 0.400 A 16 LYS CB C 13 33.252 0.400 A 16 LYS CD C 13 29.084 0.400 A 16 LYS CE C 13 41.790 0.400 A 16 LYS CG C 13 24.692 0.400 A 16 LYS N N 15 122.955 0.400 A 17 GLU H H 1 8.367 0.020 A 17 GLU HA H 1 4.075 0.020 A 17 GLU HB2 H 1 1.856 0.020 A 17 GLU HB3 H 1 1.856 0.020 A 17 GLU HGx H 1 2.034 0.020 A 17 GLU HGy H 1 2.267 0.020 A 17 GLU CA C 13 55.676 0.400 A 17 GLU CB C 13 30.687 0.400 A 17 GLU CG C 13 36.658 0.400 A 17 GLU N N 15 123.884 0.400 A 18 PHE H H 1 8.177 0.020 A 18 PHE HA H 1 4.714 0.020 A 18 PHE HBx H 1 2.710 0.020 A 18 PHE HBy H 1 2.912 0.020 A 18 PHE HD1 H 1 6.896 0.020 A 18 PHE HD2 H 1 6.896 0.020 A 18 PHE HE1 H 1 6.800 0.020 A 18 PHE HE2 H 1 6.800 0.020 A 18 PHE HZ H 1 6.929 0.020 A 18 PHE CA C 13 55.622 0.400 A 18 PHE CB C 13 38.844 0.400 A 18 PHE CD1 C 13 131.094 0.400 A 18 PHE CD2 C 13 131.094 0.400 A 18 PHE CE1 C 13 130.443 0.400 A 18 PHE CE2 C 13 130.443 0.400 A 18 PHE CZ C 13 128.174 0.400 A 18 PHE N N 15 123.877 0.400 A 19 ALA H H 1 8.433 0.020 A 19 ALA HA H 1 4.554 0.020 A 19 ALA HB% H 1 1.509 0.020 A 19 ALA CA C 13 50.993 0.400 A 19 ALA CB C 13 17.558 0.400 A 19 ALA N N 15 128.636 0.400 A 20 PRO HA H 1 4.355 0.020 A 20 PRO HBx H 1 1.949 0.020 A 20 PRO HBy H 1 2.386 0.020 A 20 PRO HDx H 1 3.823 0.020 A 20 PRO HDy H 1 3.885 0.020 A 20 PRO HGx H 1 2.063 0.020 A 20 PRO HGy H 1 2.105 0.020 A 20 PRO CA C 13 64.969 0.400 A 20 PRO CB C 13 31.916 0.400 A 20 PRO CD C 13 50.514 0.400 A 20 PRO CG C 13 27.579 0.400 A 21 ARG H H 1 7.660 0.020 A 21 ARG HA H 1 4.207 0.020 A 21 ARG HB2 H 1 1.880 0.020 A 21 ARG HB3 H 1 1.880 0.020 A 21 ARG HD2 H 1 3.182 0.020 A 21 ARG HD3 H 1 3.182 0.020 A 21 ARG HGx H 1 1.496 0.020 A 21 ARG HGy H 1 1.552 0.020 A 21 ARG CA C 13 56.305 0.400 A 21 ARG CB C 13 29.246 0.400 A 21 ARG CD C 13 43.115 0.400 A 21 ARG CG C 13 27.080 0.400 A 21 ARG N N 15 111.683 0.400 A 22 LEU H H 1 7.556 0.020 A 22 LEU HA H 1 4.393 0.020 A 22 LEU HBx H 1 1.552 0.020 A 22 LEU HBy H 1 1.748 0.020 A 22 LEU HDx% H 1 0.853 0.020 A 22 LEU HDy% H 1 1.024 0.020 A 22 LEU HG H 1 1.866 0.020 A 22 LEU CA C 13 55.717 0.400 A 22 LEU CB C 13 41.483 0.400 A 22 LEU CD1 C 13 23.153 0.400 A 22 LEU CD2 C 13 25.686 0.400 A 22 LEU CG C 13 27.659 0.400 A 22 LEU N N 15 121.417 0.400 A 23 THR H H 1 9.120 0.020 A 23 THR HA H 1 4.455 0.020 A 23 THR HB H 1 4.652 0.020 A 23 THR HG2% H 1 1.382 0.020 A 23 THR CA C 13 60.644 0.400 A 23 THR CB C 13 71.479 0.400 A 23 THR CG2 C 13 21.635 0.400 A 23 THR N N 15 114.867 0.400 A 24 GLN H H 1 8.869 0.020 A 24 GLN HA H 1 3.726 0.020 A 24 GLN HBx H 1 1.961 0.020 A 24 GLN HBy H 1 2.180 0.020 A 24 GLN HG2 H 1 2.409 0.020 A 24 GLN HG3 H 1 2.409 0.020 A 24 GLN CA C 13 58.336 0.400 A 24 GLN CB C 13 28.002 0.400 A 24 GLN CG C 13 33.174 0.400 A 24 GLN N N 15 120.923 0.400 A 25 LEU H H 1 7.761 0.020 A 25 LEU HA H 1 4.189 0.020 A 25 LEU HB2 H 1 1.592 0.020 A 25 LEU HB3 H 1 1.592 0.020 A 25 LEU HDx% H 1 0.895 0.020 A 25 LEU HDy% H 1 0.900 0.020 A 25 LEU HG H 1 1.640 0.020 A 25 LEU CA C 13 57.972 0.400 A 25 LEU CB C 13 41.647 0.400 A 25 LEU CD1 C 13 24.298 0.400 A 25 LEU CD2 C 13 24.318 0.400 A 25 LEU CG C 13 27.125 0.400 A 25 LEU N N 15 118.215 0.400 A 26 ASP H H 1 7.539 0.020 A 26 ASP HA H 1 4.347 0.020 A 26 ASP HBx H 1 2.613 0.020 A 26 ASP HBy H 1 2.980 0.020 A 26 ASP CA C 13 57.532 0.400 A 26 ASP CB C 13 41.641 0.400 A 26 ASP N N 15 120.786 0.400 A 27 VAL H H 1 7.805 0.020 A 27 VAL HA H 1 2.900 0.020 A 27 VAL HB H 1 1.900 0.020 A 27 VAL HGx% H 1 0.240 0.020 A 27 VAL HGy% H 1 0.449 0.020 A 27 VAL CA C 13 66.764 0.400 A 27 VAL CB C 13 31.342 0.400 A 27 VAL CG1 C 13 21.822 0.400 A 27 VAL CG2 C 13 20.585 0.400 A 27 VAL N N 15 123.699 0.400 A 28 ASP H H 1 8.895 0.020 A 28 ASP HA H 1 4.357 0.020 A 28 ASP HBx H 1 2.621 0.020 A 28 ASP HBy H 1 2.785 0.020 A 28 ASP CA C 13 57.678 0.400 A 28 ASP CB C 13 39.900 0.400 A 28 ASP N N 15 120.628 0.400 A 29 SER H H 1 8.284 0.020 A 29 SER HA H 1 4.287 0.020 A 29 SER HBx H 1 4.003 0.020 A 29 SER HBy H 1 4.066 0.020 A 29 SER CA C 13 61.454 0.400 A 29 SER CB C 13 62.751 0.400 A 29 SER N N 15 115.786 0.400 A 30 HIS H H 1 7.831 0.020 A 30 HIS HA H 1 4.252 0.020 A 30 HIS HBx H 1 3.383 0.020 A 30 HIS HBy H 1 3.637 0.020 A 30 HIS HD2 H 1 7.248 0.020 A 30 HIS HE1 H 1 7.943 0.020 A 30 HIS CA C 13 60.442 0.400 A 30 HIS CB C 13 27.757 0.400 A 30 HIS CD2 C 13 127.932 0.400 A 30 HIS CE1 C 13 139.448 0.400 A 30 HIS N N 15 121.227 0.400 A 31 LEU H H 1 8.845 0.020 A 31 LEU HA H 1 3.996 0.020 A 31 LEU HBx H 1 1.621 0.020 A 31 LEU HBy H 1 1.997 0.020 A 31 LEU HDx% H 1 1.038 0.020 A 31 LEU HDy% H 1 1.273 0.020 A 31 LEU HG H 1 2.127 0.020 A 31 LEU CA C 13 58.555 0.400 A 31 LEU CB C 13 41.548 0.400 A 31 LEU CD1 C 13 26.082 0.400 A 31 LEU CD2 C 13 24.325 0.400 A 31 LEU CG C 13 27.462 0.400 A 31 LEU N N 15 119.378 0.400 A 32 ALA H H 1 7.889 0.020 A 32 ALA HA H 1 4.104 0.020 A 32 ALA HB% H 1 1.505 0.020 A 32 ALA CA C 13 54.722 0.400 A 32 ALA CB C 13 18.258 0.400 A 32 ALA N N 15 118.429 0.400 A 33 GLN H H 1 7.391 0.020 A 33 GLN HA H 1 4.204 0.020 A 33 GLN HB2 H 1 2.102 0.020 A 33 GLN HB3 H 1 2.102 0.020 A 33 GLN HGx H 1 2.337 0.020 A 33 GLN HGy H 1 2.452 0.020 A 33 GLN CA C 13 57.351 0.400 A 33 GLN CB C 13 29.017 0.400 A 33 GLN CG C 13 33.753 0.400 A 33 GLN N N 15 117.277 0.400 A 34 CYS H H 1 8.167 0.020 A 34 CYS HA H 1 3.901 0.020 A 34 CYS HBx H 1 2.431 0.020 A 34 CYS HBy H 1 2.826 0.020 A 34 CYS CA C 13 64.265 0.400 A 34 CYS CB C 13 28.501 0.400 A 34 CYS N N 15 122.933 0.400 A 35 LEU H H 1 8.225 0.020 A 35 LEU HA H 1 4.207 0.020 A 35 LEU HB2 H 1 1.694 0.020 A 35 LEU HB3 H 1 1.694 0.020 A 35 LEU HDx% H 1 0.920 0.020 A 35 LEU HDy% H 1 0.923 0.020 A 35 LEU HG H 1 1.661 0.020 A 35 LEU CA C 13 56.760 0.400 A 35 LEU CB C 13 42.071 0.400 A 35 LEU CD1 C 13 24.457 0.400 A 35 LEU CD2 C 13 24.424 0.400 A 35 LEU CG C 13 27.152 0.400 A 35 LEU N N 15 120.457 0.400 A 36 ALA H H 1 7.641 0.020 A 36 ALA HA H 1 4.200 0.020 A 36 ALA HB% H 1 1.467 0.020 A 36 ALA CA C 13 53.767 0.400 A 36 ALA CB C 13 18.605 0.400 A 36 ALA N N 15 122.336 0.400 A 37 GLU H H 1 8.057 0.020 A 37 GLU HA H 1 4.272 0.020 A 37 GLU HBx H 1 2.033 0.020 A 37 GLU HBy H 1 2.139 0.020 A 37 GLU HGx H 1 2.288 0.020 A 37 GLU HGy H 1 2.412 0.020 A 37 GLU CA C 13 56.975 0.400 A 37 GLU CB C 13 30.326 0.400 A 37 GLU CG C 13 36.396 0.400 A 37 GLU N N 15 117.925 0.400 A 38 SER H H 1 8.077 0.020 A 38 SER HA H 1 4.538 0.020 A 38 SER HB2 H 1 3.974 0.020 A 38 SER HB3 H 1 3.974 0.020 A 38 SER CA C 13 58.600 0.400 A 38 SER CB C 13 63.892 0.400 A 38 SER N N 15 115.753 0.400 A 39 THR H H 1 8.136 0.020 A 39 THR HA H 1 4.428 0.020 A 39 THR HB H 1 4.320 0.020 A 39 THR HG2% H 1 1.232 0.020 A 39 THR CA C 13 61.816 0.400 A 39 THR CB C 13 69.710 0.400 A 39 THR CG2 C 13 21.469 0.400 A 39 THR N N 15 115.550 0.400 A 40 GLU H H 1 8.265 0.020 A 40 GLU HA H 1 4.317 0.020 A 40 GLU HBx H 1 1.929 0.020 A 40 GLU HBy H 1 2.061 0.020 A 40 GLU HG2 H 1 2.272 0.020 A 40 GLU HG3 H 1 2.272 0.020 A 40 GLU CA C 13 56.435 0.400 A 40 GLU CB C 13 30.509 0.400 A 40 GLU CG C 13 36.129 0.400 A 40 GLU N N 15 122.776 0.400 A 41 ASP H H 1 8.390 0.020 A 41 ASP HA H 1 4.587 0.020 A 41 ASP HBx H 1 2.551 0.020 A 41 ASP HBy H 1 2.664 0.020 A 41 ASP CA C 13 54.232 0.400 A 41 ASP CB C 13 41.015 0.400 A 41 ASP N N 15 121.819 0.400 A 42 VAL H H 1 7.996 0.020 A 42 VAL HA H 1 3.991 0.020 A 42 VAL HB H 1 1.876 0.020 A 42 VAL HGx% H 1 0.651 0.020 A 42 VAL HGy% H 1 0.795 0.020 A 42 VAL CA C 13 62.013 0.400 A 42 VAL CB C 13 32.773 0.400 A 42 VAL CG1 C 13 20.914 0.400 A 42 VAL CG2 C 13 20.159 0.400 A 42 VAL N N 15 120.623 0.400 A 43 THR H H 1 7.915 0.020 A 43 THR HA H 1 4.307 0.020 A 43 THR HB H 1 4.164 0.020 A 43 THR HG2% H 1 1.121 0.020 A 43 THR CA C 13 61.280 0.400 A 43 THR CB C 13 69.858 0.400 A 43 THR CG2 C 13 21.293 0.400 A 43 THR N N 15 117.870 0.400 A 44 TRP H H 1 7.620 0.020 A 44 TRP HA H 1 4.543 0.020 A 44 TRP HBx H 1 3.171 0.020 A 44 TRP HBy H 1 3.327 0.020 A 44 TRP HD1 H 1 7.202 0.020 A 44 TRP HE1 H 1 10.080 0.020 A 44 TRP HE3 H 1 7.670 0.020 A 44 TRP HH2 H 1 7.215 0.020 A 44 TRP HZ2 H 1 7.489 0.020 A 44 TRP HZ3 H 1 7.153 0.020 A 44 TRP CA C 13 58.413 0.400 A 44 TRP CB C 13 30.215 0.400 A 44 TRP CD1 C 13 126.822 0.400 A 44 TRP CE3 C 13 121.226 0.400 A 44 TRP CH2 C 13 124.389 0.400 A 44 TRP CZ2 C 13 114.771 0.400 A 44 TRP CZ3 C 13 121.767 0.400 A 44 TRP N N 15 128.689 0.400 A 44 TRP NE1 N 15 129.000 0.400 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 5 ALA HB% A 6 ALA H 1.0 . 4.15 2 2 A 6 ALA HA A 7 ALA H 1.0 . 3.24 3 3 A 7 ALA H A 6 ALA HB% 1.0 . 3.40 4 4 A 7 ALA H A 7 ALA HB% 1.0 . 3.57 5 5 A 7 ALA HA A 8 LEU H 1.0 . 2.71 6 6 A 7 ALA HB% A 8 LEU H 1.0 . 3.37 7 7 A 7 ALA HB% A 27 VAL HGy% 1.0 . 5.85 8 8 A 8 LEU HA A 8 LEU HDx% 1.0 . 5.18 9 9 A 8 LEU HA A 8 LEU HDy% 1.0 . 5.18 10 10 A 8 LEU H A 8 LEU HB2 1.0 . 3.21 11 10 A 8 LEU H A 8 LEU HB3 1.0 . 3.21 12 11 A 8 LEU H A 8 LEU HG 1.0 . 3.24 13 12 A 8 LEU H A 8 LEU HDy% 1.0 . 4.26 14 13 A 8 LEU H A 8 LEU HDx% 1.0 . 4.26 15 14 A 8 LEU H A 8 LEU HDy% 1.0 . 3.72 16 14 A 8 LEU H A 8 LEU HDx% 1.0 . 3.72 17 15 A 8 LEU HA A 8 LEU HDy% 1.0 . 4.04 18 15 A 8 LEU HA A 8 LEU HDx% 1.0 . 4.04 19 16 A 8 LEU HA A 9 ARG H 1.0 . 3.47 20 17 A 9 ARG H A 8 LEU HB2 1.0 . 4.15 21 17 A 8 LEU HB3 A 9 ARG H 1.0 . 4.15 22 18 A 8 LEU HDx% A 9 ARG H 1.0 . 5.67 23 19 A 9 ARG H A 8 LEU HDy% 1.0 . 5.67 24 20 A 9 ARG H A 8 LEU HDy% 1.0 . 4.72 25 20 A 8 LEU HDx% A 9 ARG H 1.0 . 4.72 26 21 A 8 LEU HA A 10 SER H 1.0 . 4.29 27 22 A 10 SER H A 8 LEU HB2 1.0 . 3.71 28 22 A 8 LEU HB3 A 10 SER H 1.0 . 3.71 29 23 A 8 LEU HDx% A 10 SER H 1.0 . 4.91 30 24 A 10 SER H A 8 LEU HDy% 1.0 . 4.91 31 25 A 10 SER H A 8 LEU HDy% 1.0 . 4.32 32 25 A 8 LEU HDx% A 10 SER H 1.0 . 4.32 33 26 A 11 CYS H A 8 LEU HB2 1.0 . 5.79 34 26 A 8 LEU HB3 A 11 CYS H 1.0 . 5.79 35 27 A 11 CYS H A 8 LEU HDy% 1.0 . 5.99 36 27 A 8 LEU HDx% A 11 CYS H 1.0 . 5.99 37 28 A 12 PRO HDy A 8 LEU HDy% 1.0 . 5.81 38 29 A 8 LEU HDx% A 12 PRO HDy 1.0 . 5.81 39 30 A 8 LEU HDy% A 12 PRO HGy 1.0 . 5.57 40 30 A 8 LEU HDx% A 12 PRO HGy 1.0 . 5.57 41 30 A 12 PRO HGx A 8 LEU HDy% 1.0 . 5.57 42 30 A 8 LEU HDx% A 12 PRO HGx 1.0 . 5.57 43 31 A 12 PRO HDy A 8 LEU HDy% 1.0 . 5.05 44 31 A 8 LEU HDx% A 12 PRO HDy 1.0 . 5.05 45 32 A 13 MET H A 8 LEU HDy% 1.0 . 5.53 46 32 A 8 LEU HDx% A 13 MET H 1.0 . 5.53 47 33 A 18 PHE HD% A 8 LEU HB2 1.0 . 5.02 48 33 A 8 LEU HB3 A 18 PHE HD% 1.0 . 5.02 49 34 A 18 PHE HE% A 8 LEU HB2 1.0 . 4.35 50 34 A 8 LEU HB3 A 18 PHE HE% 1.0 . 4.35 51 35 A 8 LEU HG A 18 PHE HE% 1.0 . 6.06 52 36 A 18 PHE HE% A 8 LEU HDy% 1.0 . 4.55 53 36 A 8 LEU HDx% A 18 PHE HE% 1.0 . 4.55 54 37 A 8 LEU H A 27 VAL HGx% 1.0 . 5.00 55 38 A 8 LEU H A 27 VAL HGy% 1.0 . 5.64 56 39 A 9 ARG HA A 9 ARG HDy 1.0 . 5.43 57 40 A 9 ARG HA A 9 ARG HG2 1.0 . 4.07 58 40 A 9 ARG HA A 9 ARG HG3 1.0 . 4.07 59 41 A 9 ARG HA A 9 ARG HDx 1.0 . 5.43 60 42 A 9 ARG H A 9 ARG HBx 1.0 . 4.16 61 43 A 9 ARG H A 9 ARG HG2 1.0 . 4.26 62 43 A 9 ARG H A 9 ARG HG3 1.0 . 4.26 63 44 A 9 ARG H A 9 ARG HDy 1.0 . 5.33 64 44 A 9 ARG H A 9 ARG HDx 1.0 . 5.33 65 45 A 9 ARG HA A 9 ARG HDy 1.0 . 4.77 66 45 A 9 ARG HA A 9 ARG HDx 1.0 . 4.77 67 46 A 10 SER H A 9 ARG HA 1.0 . 3.26 68 47 A 10 SER H A 9 ARG HBy 1.0 . 4.08 69 48 A 10 SER H A 9 ARG HBx 1.0 . 4.38 70 49 A 10 SER H A 9 ARG HDy 1.0 . 5.11 71 49 A 10 SER H A 9 ARG HDx 1.0 . 5.11 72 50 A 9 ARG H A 10 SER H 1.0 . 5.32 73 51 A 9 ARG HA A 18 PHE HBx 1.0 . 5.93 74 52 A 9 ARG HBx A 18 PHE HBx 1.0 . 6.11 75 53 A 9 ARG HBy A 18 PHE HBx 1.0 . 6.11 76 54 A 18 PHE HBx A 9 ARG HG2 1.0 . 6.11 77 54 A 9 ARG HG3 A 18 PHE HBx 1.0 . 6.11 78 55 A 18 PHE HBy A 9 ARG HG2 1.0 . 6.46 79 55 A 9 ARG HG3 A 18 PHE HBy 1.0 . 6.46 80 56 A 9 ARG HBy A 18 PHE HBy 1.0 . 6.61 81 57 A 18 PHE HD% A 9 ARG HBx 1.0 . 5.65 82 58 A 18 PHE HD% A 9 ARG HBy 1.0 . 4.83 83 59 A 18 PHE HD% A 9 ARG HA 1.0 . 4.25 84 60 A 18 PHE HD% A 9 ARG HG2 1.0 . 4.60 85 60 A 18 PHE HD% A 9 ARG HG3 1.0 . 4.60 86 61 A 18 PHE H A 9 ARG HG2 1.0 . 5.96 87 61 A 9 ARG HG3 A 18 PHE H 1.0 . 5.96 88 62 A 9 ARG HBy A 18 PHE H 1.0 . 5.40 89 63 A 18 PHE HD% A 9 ARG HDy 1.0 . 5.05 90 63 A 18 PHE HD% A 9 ARG HDx 1.0 . 5.05 91 64 A 27 VAL HGy% A 9 ARG HDy 1.0 . 5.76 92 65 A 27 VAL HGy% A 9 ARG HDx 1.0 . 5.76 93 66 A 27 VAL HGx% A 9 ARG HDy 1.0 . 5.60 94 66 A 27 VAL HGx% A 9 ARG HDx 1.0 . 5.60 95 67 A 27 VAL HGy% A 9 ARG HDy 1.0 . 4.90 96 67 A 27 VAL HGy% A 9 ARG HDx 1.0 . 4.90 97 68 A 10 SER H A 10 SER HBy 1.0 . 3.94 98 69 A 10 SER H A 10 SER HBx 1.0 . 3.91 99 70 A 11 CYS H A 10 SER HBy 1.0 . 3.41 100 71 A 11 CYS H A 10 SER HBx 1.0 . 3.13 101 72 A 11 CYS H A 10 SER HA 1.0 . 2.63 102 73 A 10 SER H A 12 PRO HDx 1.0 . 5.57 103 74 A 10 SER H A 12 PRO HDy 1.0 . 5.52 104 75 A 10 SER HBx A 15 GLN HA 1.0 . 5.01 105 76 A 10 SER HBy A 15 GLN HA 1.0 . 6.66 106 77 A 10 SER HBy A 16 LYS HA 1.0 . 7.00 107 78 A 10 SER HBx A 16 LYS H 1.0 . 4.75 108 79 A 10 SER HBy A 16 LYS H 1.0 . 5.88 109 80 A 10 SER HBx A 17 GLU HA 1.0 . 4.64 110 81 A 10 SER HBy A 17 GLU HA 1.0 . 4.27 111 82 A 10 SER HA A 17 GLU HA 1.0 . 4.05 112 83 A 10 SER HBx A 17 GLU HGy 1.0 . 6.31 113 84 A 10 SER HBy A 17 GLU HGy 1.0 . 6.02 114 85 A 10 SER HA A 17 GLU H 1.0 . 5.83 115 86 A 10 SER HBy A 17 GLU H 1.0 . 5.41 116 87 A 10 SER HBx A 17 GLU H 1.0 . 5.74 117 88 A 10 SER H A 17 GLU HA 1.0 . 5.70 118 89 A 18 PHE HBx A 10 SER HA 1.0 . 4.84 119 90 A 18 PHE HE% A 10 SER HA 1.0 . 3.84 120 91 A 10 SER H A 18 PHE HBy 1.0 . 6.42 121 92 A 10 SER H A 18 PHE HBx 1.0 . 5.16 122 93 A 18 PHE H A 10 SER HA 1.0 . 3.27 123 94 A 18 PHE H A 10 SER HBy 1.0 . 4.10 124 95 A 18 PHE H A 10 SER HBx 1.0 . 4.31 125 96 A 10 SER H A 18 PHE HD% 1.0 . 3.97 126 97 A 10 SER H A 18 PHE HE% 1.0 . 4.66 127 98 A 11 CYS H A 11 CYS HBy 1.0 . 2.88 128 99 A 11 CYS H A 11 CYS HBx 1.0 . 2.87 129 100 A 12 PRO HDx A 11 CYS HBx 1.0 . 5.51 130 101 A 12 PRO HDy A 11 CYS HBx 1.0 . 5.61 131 102 A 12 PRO HDx A 11 CYS HBy 1.0 . 6.42 132 103 A 12 PRO HDy A 11 CYS HBy 1.0 . 6.25 133 104 A 12 PRO HDy A 11 CYS HA 1.0 . 3.84 134 105 A 11 CYS H A 12 PRO HDx 1.0 . 4.57 135 106 A 11 CYS H A 12 PRO HDy 1.0 . 4.44 136 107 A 11 CYS H A 12 PRO HA 1.0 . 5.46 137 108 A 13 MET H A 11 CYS HA 1.0 . 4.22 138 109 A 13 MET H A 11 CYS HBy 1.0 . 4.31 139 110 A 13 MET H A 11 CYS HBx 1.0 . 4.78 140 111 A 11 CYS HA A 14 CYS H 1.0 . 4.75 141 112 A 11 CYS HBy A 14 CYS H 1.0 . 3.52 142 113 A 11 CYS HBx A 14 CYS H 1.0 . 4.83 143 114 A 15 GLN HA A 11 CYS HBy 1.0 . 6.35 144 115 A 11 CYS HBy A 15 GLN H 1.0 . 4.10 145 116 A 11 CYS HA A 15 GLN H 1.0 . 5.30 146 117 A 11 CYS H A 15 GLN HA 1.0 . 5.20 147 118 A 11 CYS H A 15 GLN HG2 1.0 . 6.61 148 118 A 11 CYS H A 15 GLN HG3 1.0 . 6.61 149 119 A 16 LYS HA A 11 CYS HBx 1.0 . 6.63 150 120 A 11 CYS HBx A 16 LYS HBx 1.0 . 5.86 151 121 A 11 CYS HBx A 16 LYS HBy 1.0 . 5.29 152 122 A 11 CYS HBx A 16 LYS HGx 1.0 . 6.20 153 123 A 11 CYS HBx A 16 LYS HGy 1.0 . 6.14 154 124 A 16 LYS HA A 11 CYS HBy 1.0 . 6.73 155 125 A 11 CYS HBy A 16 LYS HBx 1.0 . 5.87 156 126 A 11 CYS HBy A 16 LYS HBy 1.0 . 5.44 157 127 A 11 CYS HBy A 16 LYS HGx 1.0 . 6.71 158 128 A 11 CYS HBy A 16 LYS HGy 1.0 . 6.63 159 129 A 11 CYS H A 16 LYS HA 1.0 . 5.54 160 130 A 11 CYS H A 16 LYS HBx 1.0 . 5.35 161 131 A 11 CYS H A 16 LYS HBy 1.0 . 4.17 162 132 A 11 CYS H A 16 LYS HGx 1.0 . 4.72 163 133 A 11 CYS H A 16 LYS HGy 1.0 . 6.25 164 134 A 16 LYS H A 11 CYS HBx 1.0 . 4.00 165 135 A 16 LYS H A 11 CYS HBy 1.0 . 3.07 166 136 A 16 LYS H A 11 CYS HA 1.0 . 4.67 167 137 A 11 CYS H A 17 GLU HA 1.0 . 3.79 168 138 A 11 CYS H A 17 GLU HB2 1.0 . 5.77 169 138 A 11 CYS H A 17 GLU HB3 1.0 . 5.77 170 139 A 11 CYS H A 17 GLU HGx 1.0 . 5.75 171 140 A 11 CYS HBx A 18 PHE HZ 1.0 . 3.50 172 141 A 18 PHE HE% A 11 CYS HBx 1.0 . 3.98 173 142 A 18 PHE HD% A 11 CYS HBy 1.0 . 5.82 174 143 A 18 PHE HD% A 11 CYS HBx 1.0 . 4.74 175 144 A 18 PHE HE% A 11 CYS HA 1.0 . 4.29 176 145 A 18 PHE HE% A 11 CYS HBy 1.0 . 4.65 177 146 A 11 CYS HA A 18 PHE HZ 1.0 . 3.89 178 147 A 11 CYS HBy A 18 PHE HZ 1.0 . 4.07 179 148 A 11 CYS H A 18 PHE HBx 1.0 . 5.96 180 149 A 11 CYS H A 18 PHE HE% 1.0 . 4.06 181 150 A 11 CYS H A 18 PHE HD% 1.0 . 4.56 182 151 A 11 CYS H A 18 PHE HZ 1.0 . 4.59 183 152 A 11 CYS HA A 30 HIS HD2 1.0 . 5.48 184 153 A 11 CYS HBy A 30 HIS HD2 1.0 . 4.58 185 154 A 11 CYS HBx A 30 HIS HD2 1.0 . 3.84 186 155 A 11 CYS HBx A 31 LEU HA 1.0 . 6.94 187 156 A 11 CYS HBx A 31 LEU HDy% 1.0 . 5.34 188 157 A 11 CYS HBy A 31 LEU HDy% 1.0 . 5.96 189 158 A 11 CYS HA A 31 LEU HDy% 1.0 . 4.70 190 159 A 11 CYS H A 31 LEU HDy% 1.0 . 5.04 191 160 A 11 CYS HBx A 31 LEU H 1.0 . 6.08 192 161 A 12 PRO HDx A 13 MET HE% 1.0 . 5.91 193 162 A 12 PRO HGx A 13 MET H 1.0 . 3.83 194 163 A 13 MET H A 12 PRO HGy 1.0 . 4.68 195 164 A 13 MET H A 12 PRO HBy 1.0 . 4.46 196 165 A 13 MET H A 12 PRO HBx 1.0 . 4.46 197 166 A 13 MET H A 12 PRO HDx 1.0 . 3.61 198 167 A 12 PRO HDy A 13 MET H 1.0 . 4.03 199 168 A 13 MET H A 12 PRO HBy 1.0 . 3.77 200 168 A 13 MET H A 12 PRO HBx 1.0 . 3.77 201 169 A 12 PRO HA A 14 CYS H 1.0 . 5.01 202 170 A 12 PRO HDx A 14 CYS H 1.0 . 5.23 203 171 A 12 PRO HGx A 14 CYS H 1.0 . 5.79 204 172 A 14 CYS H A 12 PRO HGy 1.0 . 6.78 205 173 A 12 PRO HDy A 14 CYS H 1.0 . 5.95 206 174 A 12 PRO HA A 15 GLN H 1.0 . 4.59 207 175 A 12 PRO HDy A 18 PHE HE% 1.0 . 4.87 208 176 A 12 PRO HDx A 18 PHE HZ 1.0 . 5.42 209 177 A 12 PRO HDy A 18 PHE HZ 1.0 . 6.03 210 178 A 12 PRO HDy A 31 LEU HDy% 1.0 . 4.64 211 179 A 12 PRO HDx A 31 LEU HDy% 1.0 . 4.43 212 180 A 13 MET HE% A 13 MET HBx 1.0 . 5.00 213 181 A 13 MET HE% A 13 MET HBy 1.0 . 5.00 214 182 A 13 MET H A 13 MET HGy 1.0 . 4.70 215 183 A 13 MET H A 13 MET HGx 1.0 . 4.70 216 184 A 13 MET H A 13 MET HE% 1.0 . 4.02 217 185 A 13 MET H A 13 MET HBy 1.0 . 3.54 218 186 A 13 MET H A 13 MET HBx 1.0 . 3.54 219 187 A 13 MET H A 13 MET HBx 1.0 . 3.03 220 187 A 13 MET H A 13 MET HBy 1.0 . 3.03 221 188 A 13 MET H A 13 MET HGx 1.0 . 4.07 222 188 A 13 MET H A 13 MET HGy 1.0 . 4.07 223 189 A 13 MET HE% A 13 MET HBx 1.0 . 4.34 224 189 A 13 MET HE% A 13 MET HBy 1.0 . 4.34 225 190 A 14 CYS H A 13 MET HGy 1.0 . 5.22 226 191 A 14 CYS H A 13 MET HGx 1.0 . 5.22 227 192 A 14 CYS H A 13 MET HBy 1.0 . 3.74 228 193 A 14 CYS H A 13 MET HBx 1.0 . 3.74 229 194 A 14 CYS H A 13 MET HE% 1.0 . 5.05 230 195 A 13 MET H A 14 CYS HA 1.0 . 5.14 231 196 A 13 MET H A 14 CYS HBx 1.0 . 6.48 232 197 A 13 MET H A 14 CYS HBy 1.0 . 5.29 233 198 A 13 MET H A 14 CYS H 1.0 . 4.27 234 199 A 14 CYS H A 13 MET HBx 1.0 . 3.24 235 199 A 14 CYS H A 13 MET HBy 1.0 . 3.24 236 200 A 14 CYS H A 13 MET HGx 1.0 . 4.57 237 200 A 14 CYS H A 13 MET HGy 1.0 . 4.57 238 201 A 13 MET H A 15 GLN HA 1.0 . 5.29 239 202 A 15 GLN H A 13 MET HA 1.0 . 4.92 240 203 A 13 MET HE% A 31 LEU HBy 1.0 . 5.24 241 204 A 31 LEU HDy% A 13 MET HE% 1.0 . 4.33 242 205 A 31 LEU HA A 13 MET HE% 1.0 . 4.81 243 206 A 31 LEU H A 13 MET HE% 1.0 . 5.15 244 207 A 13 MET H A 31 LEU HDy% 1.0 . 4.63 245 208 A 13 MET H A 31 LEU HDx% 1.0 . 6.58 246 209 A 13 MET HE% A 34 CYS HBx 1.0 . 4.82 247 210 A 13 MET HBy A 34 CYS HBx 1.0 . 5.62 248 211 A 34 CYS HBx A 13 MET HBx 1.0 . 5.62 249 212 A 13 MET HBy A 34 CYS HBy 1.0 . 5.01 250 213 A 34 CYS HBy A 13 MET HBx 1.0 . 5.01 251 214 A 13 MET HE% A 34 CYS HBy 1.0 . 4.62 252 215 A 13 MET H A 34 CYS HBy 1.0 . 5.61 253 216 A 13 MET H A 34 CYS HBx 1.0 . 6.25 254 217 A 13 MET HE% A 34 CYS H 1.0 . 4.87 255 218 A 34 CYS HBx A 13 MET HBx 1.0 . 4.87 256 218 A 13 MET HBy A 34 CYS HBx 1.0 . 4.87 257 219 A 34 CYS HBy A 13 MET HBx 1.0 . 4.34 258 219 A 13 MET HBy A 34 CYS HBy 1.0 . 4.34 259 220 A 13 MET HE% A 35 LEU HA 1.0 . 5.47 260 221 A 13 MET HE% A 35 LEU HDx% 1.0 . 6.14 261 222 A 13 MET HE% A 35 LEU HDy% 1.0 . 6.14 262 223 A 13 MET HE% A 35 LEU HB2 1.0 . 5.69 263 223 A 13 MET HE% A 35 LEU HB3 1.0 . 5.69 264 224 A 13 MET HE% A 35 LEU H 1.0 . 3.89 265 225 A 35 LEU H A 13 MET HGx 1.0 . 6.50 266 225 A 13 MET HGy A 35 LEU H 1.0 . 6.50 267 226 A 13 MET HE% A 35 LEU HDy% 1.0 . 5.36 268 226 A 13 MET HE% A 35 LEU HDx% 1.0 . 5.36 269 227 A 13 MET HE% A 36 ALA H 1.0 . 5.48 270 228 A 13 MET HE% A 37 GLU H 1.0 . 6.62 271 229 A 14 CYS H A 14 CYS HBx 1.0 . 3.89 272 230 A 14 CYS H A 14 CYS HBy 1.0 . 3.45 273 231 A 14 CYS HA A 15 GLN HG2 1.0 . 5.96 274 231 A 15 GLN HG3 A 14 CYS HA 1.0 . 5.96 275 232 A 15 GLN H A 14 CYS HBx 1.0 . 4.55 276 233 A 15 GLN H A 14 CYS HBy 1.0 . 4.55 277 234 A 15 GLN HA A 14 CYS H 1.0 . 4.37 278 235 A 14 CYS H A 15 GLN H 1.0 . 3.89 279 236 A 14 CYS H A 15 GLN HBy 1.0 . 5.12 280 236 A 14 CYS H A 15 GLN HBx 1.0 . 5.12 281 237 A 16 LYS H A 14 CYS HBy 1.0 . 5.38 282 238 A 16 LYS H A 14 CYS HBx 1.0 . 5.03 283 239 A 16 LYS H A 14 CYS HA 1.0 . 5.29 284 240 A 14 CYS H A 31 LEU HDy% 1.0 . 5.55 285 241 A 14 CYS H A 34 CYS HBy 1.0 . 5.51 286 242 A 14 CYS H A 34 CYS HBx 1.0 . 5.86 287 243 A 15 GLN HA A 15 GLN HG2 1.0 . 4.06 288 243 A 15 GLN HA A 15 GLN HG3 1.0 . 4.06 289 244 A 15 GLN HA A 15 GLN H 1.0 . 2.64 290 245 A 15 GLN H A 15 GLN HG2 1.0 . 3.90 291 245 A 15 GLN H A 15 GLN HG3 1.0 . 3.90 292 246 A 15 GLN H A 15 GLN HBx 1.0 . 4.19 293 247 A 15 GLN H A 15 GLN HBy 1.0 . 4.19 294 248 A 15 GLN H A 15 GLN HBy 1.0 . 3.51 295 248 A 15 GLN H A 15 GLN HBx 1.0 . 3.51 296 249 A 15 GLN H A 16 LYS HBx 1.0 . 5.33 297 250 A 15 GLN H A 16 LYS HBy 1.0 . 5.20 298 251 A 15 GLN HA A 16 LYS H 1.0 . 3.11 299 252 A 16 LYS H A 15 GLN HG2 1.0 . 4.67 300 252 A 16 LYS H A 15 GLN HG3 1.0 . 4.67 301 253 A 16 LYS H A 15 GLN HBy 1.0 . 4.67 302 254 A 16 LYS H A 15 GLN HBx 1.0 . 4.67 303 255 A 16 LYS H A 15 GLN H 1.0 . 4.76 304 256 A 16 LYS H A 15 GLN HBy 1.0 . 4.03 305 256 A 16 LYS H A 15 GLN HBx 1.0 . 4.03 306 257 A 16 LYS HBx A 16 LYS HE2 1.0 . 5.44 307 257 A 16 LYS HBx A 16 LYS HE3 1.0 . 5.44 308 258 A 16 LYS HA A 16 LYS HDy 1.0 . 5.87 309 259 A 16 LYS HA A 16 LYS HDx 1.0 . 5.87 310 260 A 16 LYS HBy A 16 LYS HE2 1.0 . 5.78 311 260 A 16 LYS HBy A 16 LYS HE3 1.0 . 5.78 312 261 A 16 LYS H A 16 LYS HBx 1.0 . 3.20 313 262 A 16 LYS H A 16 LYS HBy 1.0 . 3.08 314 263 A 16 LYS H A 16 LYS HDy 1.0 . 5.48 315 264 A 16 LYS H A 16 LYS HDx 1.0 . 5.48 316 265 A 16 LYS H A 16 LYS HGx 1.0 . 4.36 317 266 A 16 LYS H A 16 LYS HGy 1.0 . 4.96 318 267 A 16 LYS H A 16 LYS HE2 1.0 . 6.17 319 267 A 16 LYS H A 16 LYS HE3 1.0 . 6.17 320 268 A 16 LYS HA A 16 LYS HDy 1.0 . 5.14 321 268 A 16 LYS HA A 16 LYS HDx 1.0 . 5.14 322 269 A 16 LYS HA A 17 GLU H 1.0 . 2.51 323 270 A 17 GLU H A 16 LYS HBx 1.0 . 3.94 324 271 A 17 GLU H A 16 LYS HBy 1.0 . 4.33 325 272 A 17 GLU H A 16 LYS HDy 1.0 . 5.29 326 273 A 17 GLU H A 16 LYS HDx 1.0 . 5.29 327 274 A 17 GLU H A 16 LYS HGx 1.0 . 3.81 328 275 A 17 GLU H A 16 LYS HGy 1.0 . 3.98 329 276 A 17 GLU H A 16 LYS HE2 1.0 . 5.28 330 276 A 17 GLU H A 16 LYS HE3 1.0 . 5.28 331 277 A 16 LYS H A 17 GLU H 1.0 . 5.21 332 278 A 17 GLU H A 16 LYS HDy 1.0 . 4.53 333 278 A 17 GLU H A 16 LYS HDx 1.0 . 4.53 334 279 A 18 PHE HD% A 16 LYS HE2 1.0 . 4.73 335 279 A 18 PHE HD% A 16 LYS HE3 1.0 . 4.73 336 280 A 18 PHE HE% A 16 LYS HE2 1.0 . 5.26 337 280 A 18 PHE HE% A 16 LYS HE3 1.0 . 5.26 338 281 A 18 PHE HE% A 16 LYS HBy 1.0 . 5.29 339 282 A 18 PHE H A 16 LYS HA 1.0 . 6.08 340 283 A 18 PHE HD% A 16 LYS HDy 1.0 . 4.92 341 283 A 18 PHE HD% A 16 LYS HDx 1.0 . 4.92 342 284 A 18 PHE HE% A 16 LYS HDy 1.0 . 4.65 343 284 A 18 PHE HE% A 16 LYS HDx 1.0 . 4.65 344 285 A 19 ALA H A 16 LYS HE2 1.0 . 5.61 345 285 A 16 LYS HE3 A 19 ALA H 1.0 . 5.61 346 286 A 30 HIS HE1 A 16 LYS HE2 1.0 . 4.50 347 286 A 16 LYS HE3 A 30 HIS HE1 1.0 . 4.50 348 287 A 16 LYS HBx A 30 HIS HE1 1.0 . 4.70 349 288 A 16 LYS HBy A 30 HIS HE1 1.0 . 4.94 350 289 A 30 HIS HE1 A 16 LYS HDy 1.0 . 4.21 351 290 A 16 LYS HDx A 30 HIS HE1 1.0 . 4.21 352 291 A 16 LYS HGy A 30 HIS HE1 1.0 . 5.68 353 292 A 30 HIS HE1 A 16 LYS HDy 1.0 . 3.55 354 292 A 16 LYS HDx A 30 HIS HE1 1.0 . 3.55 355 293 A 17 GLU HGy A 17 GLU H 1.0 . 3.69 356 294 A 17 GLU H A 17 GLU HGx 1.0 . 4.44 357 295 A 17 GLU H A 17 GLU HB2 1.0 . 2.77 358 295 A 17 GLU H A 17 GLU HB3 1.0 . 2.77 359 296 A 18 PHE HBx A 17 GLU HB2 1.0 . 6.43 360 296 A 18 PHE HBx A 17 GLU HB3 1.0 . 6.43 361 297 A 18 PHE HBy A 17 GLU HB2 1.0 . 6.65 362 297 A 18 PHE HBy A 17 GLU HB3 1.0 . 6.65 363 298 A 17 GLU H A 18 PHE HA 1.0 . 6.13 364 299 A 18 PHE H A 17 GLU HA 1.0 . 2.62 365 300 A 18 PHE H A 17 GLU HGy 1.0 . 5.07 366 301 A 18 PHE H A 17 GLU HGx 1.0 . 4.30 367 302 A 18 PHE H A 17 GLU HB2 1.0 . 3.37 368 302 A 18 PHE H A 17 GLU HB3 1.0 . 3.37 369 303 A 19 ALA H A 17 GLU HB2 1.0 . 5.51 370 303 A 17 GLU HB3 A 19 ALA H 1.0 . 5.51 371 304 A 18 PHE HD% A 18 PHE HA 1.0 . 2.97 372 305 A 18 PHE HBy A 18 PHE H 1.0 . 3.77 373 306 A 18 PHE HBx A 18 PHE H 1.0 . 3.27 374 307 A 18 PHE HD% A 18 PHE H 1.0 . 3.34 375 308 A 18 PHE HE% A 18 PHE H 1.0 . 4.99 376 309 A 19 ALA H A 18 PHE HA 1.0 . 2.75 377 310 A 18 PHE HBy A 19 ALA H 1.0 . 3.71 378 311 A 18 PHE HBx A 19 ALA H 1.0 . 4.20 379 312 A 18 PHE HD% A 19 ALA H 1.0 . 3.75 380 313 A 18 PHE HA A 22 LEU HDx% 1.0 . 4.66 381 314 A 18 PHE HBx A 22 LEU HBx 1.0 . 6.24 382 315 A 18 PHE HBx A 22 LEU HBy 1.0 . 6.87 383 316 A 18 PHE HBx A 22 LEU HDx% 1.0 . 5.28 384 317 A 18 PHE HBx A 22 LEU HDy% 1.0 . 6.23 385 318 A 18 PHE HBy A 22 LEU HBx 1.0 . 5.69 386 319 A 18 PHE HBy A 22 LEU HDy% 1.0 . 5.97 387 320 A 18 PHE HBy A 22 LEU HDx% 1.0 . 4.87 388 321 A 18 PHE HD% A 22 LEU HDx% 1.0 . 3.55 389 322 A 18 PHE HD% A 22 LEU HDy% 1.0 . 4.69 390 323 A 18 PHE HE% A 22 LEU HDy% 1.0 . 5.42 391 324 A 18 PHE HBy A 22 LEU H 1.0 . 5.27 392 325 A 18 PHE HBx A 22 LEU H 1.0 . 6.47 393 326 A 18 PHE H A 22 LEU HDx% 1.0 . 4.84 394 327 A 27 VAL HGy% A 18 PHE HBy 1.0 . 5.15 395 328 A 27 VAL HGx% A 18 PHE HBx 1.0 . 6.61 396 329 A 27 VAL HGy% A 18 PHE HBx 1.0 . 5.34 397 330 A 18 PHE HBy A 27 VAL HB 1.0 . 7.00 398 331 A 27 VAL HGx% A 18 PHE HBy 1.0 . 6.66 399 332 A 18 PHE HD% A 27 VAL HB 1.0 . 5.99 400 333 A 27 VAL HGx% A 18 PHE HZ 1.0 . 4.06 401 334 A 18 PHE HE% A 27 VAL HGx% 1.0 . 3.89 402 335 A 18 PHE HD% A 27 VAL HA 1.0 . 4.81 403 336 A 18 PHE HD% A 27 VAL HGx% 1.0 . 4.10 404 337 A 27 VAL HGy% A 18 PHE HD% 1.0 . 3.85 405 338 A 18 PHE HE% A 27 VAL HA 1.0 . 4.43 406 339 A 27 VAL HGy% A 18 PHE HE% 1.0 . 4.39 407 340 A 18 PHE HE% A 27 VAL HB 1.0 . 4.95 408 341 A 18 PHE HZ A 27 VAL HA 1.0 . 4.64 409 342 A 27 VAL HGy% A 18 PHE HZ 1.0 . 5.01 410 343 A 18 PHE HE% A 30 HIS HBy 1.0 . 4.08 411 344 A 18 PHE HZ A 30 HIS HBx 1.0 . 4.79 412 345 A 18 PHE HZ A 30 HIS HD2 1.0 . 4.72 413 346 A 18 PHE HE% A 30 HIS HD2 1.0 . 5.92 414 347 A 18 PHE HD% A 30 HIS HBy 1.0 . 5.02 415 348 A 18 PHE HD% A 30 HIS HBx 1.0 . 5.63 416 349 A 18 PHE HE% A 30 HIS HBx 1.0 . 4.37 417 350 A 18 PHE HZ A 30 HIS HBy 1.0 . 4.15 418 351 A 18 PHE HE% A 30 HIS H 1.0 . 5.14 419 352 A 18 PHE HZ A 30 HIS H 1.0 . 5.36 420 353 A 18 PHE HE% A 31 LEU HG 1.0 . 4.89 421 354 A 18 PHE HD% A 31 LEU HDy% 1.0 . 5.39 422 355 A 18 PHE HE% A 31 LEU HDy% 1.0 . 4.06 423 356 A 18 PHE HE% A 31 LEU HDx% 1.0 . 5.00 424 357 A 18 PHE HZ A 31 LEU HA 1.0 . 5.25 425 358 A 18 PHE HZ A 31 LEU HG 1.0 . 4.34 426 359 A 18 PHE HZ A 31 LEU HDy% 1.0 . 3.71 427 360 A 18 PHE HZ A 31 LEU HDx% 1.0 . 4.52 428 361 A 19 ALA H A 19 ALA HB% 1.0 . 2.67 429 362 A 19 ALA HA A 20 PRO HDy 1.0 . 3.29 430 362 A 19 ALA HA A 20 PRO HDx 1.0 . 3.29 431 363 A 19 ALA HA A 20 PRO HGx 1.0 . 5.00 432 363 A 19 ALA HA A 20 PRO HGy 1.0 . 5.00 433 364 A 19 ALA HB% A 20 PRO HDx 1.0 . 4.11 434 365 A 19 ALA HB% A 20 PRO HDy 1.0 . 4.11 435 366 A 19 ALA HB% A 20 PRO HGx 1.0 . 5.63 436 366 A 19 ALA HB% A 20 PRO HGy 1.0 . 5.63 437 367 A 19 ALA H A 20 PRO HDy 1.0 . 4.57 438 367 A 19 ALA H A 20 PRO HDx 1.0 . 4.57 439 368 A 19 ALA HA A 20 PRO HDy 1.0 . 3.29 440 368 A 19 ALA HA A 20 PRO HDx 1.0 . 3.29 441 369 A 19 ALA HB% A 20 PRO HBx 1.0 . 5.92 442 369 A 19 ALA HB% A 20 PRO HBy 1.0 . 5.92 443 370 A 19 ALA HB% A 20 PRO HDy 1.0 . 3.40 444 370 A 19 ALA HB% A 20 PRO HDx 1.0 . 3.40 445 371 A 19 ALA HB% A 21 ARG HB2 1.0 . 6.07 446 371 A 19 ALA HB% A 21 ARG HB3 1.0 . 6.07 447 372 A 19 ALA HA A 21 ARG H 1.0 . 5.59 448 373 A 19 ALA HB% A 21 ARG H 1.0 . 4.05 449 374 A 19 ALA HB% A 21 ARG HGx 1.0 . 4.48 450 374 A 19 ALA HB% A 21 ARG HGy 1.0 . 4.48 451 375 A 19 ALA HB% A 22 LEU HG 1.0 . 4.57 452 376 A 22 LEU HDx% A 19 ALA HB% 1.0 . 4.40 453 377 A 22 LEU HDy% A 19 ALA HB% 1.0 . 4.99 454 378 A 22 LEU HBx A 19 ALA HB% 1.0 . 6.04 455 379 A 22 LEU H A 19 ALA HA 1.0 . 5.27 456 380 A 22 LEU H A 19 ALA HB% 1.0 . 3.82 457 381 A 19 ALA H A 22 LEU HBx 1.0 . 4.79 458 382 A 19 ALA H A 22 LEU HBy 1.0 . 5.12 459 383 A 19 ALA H A 22 LEU HG 1.0 . 4.08 460 384 A 19 ALA H A 22 LEU HDx% 1.0 . 3.28 461 385 A 19 ALA H A 22 LEU HDy% 1.0 . 4.35 462 386 A 27 VAL HGy% A 19 ALA H 1.0 . 5.83 463 387 A 21 ARG H A 20 PRO HBx 1.0 . 3.96 464 387 A 20 PRO HBy A 21 ARG H 1.0 . 3.96 465 388 A 21 ARG H A 20 PRO HGx 1.0 . 4.39 466 388 A 20 PRO HGy A 21 ARG H 1.0 . 4.39 467 389 A 21 ARG H A 20 PRO HDy 1.0 . 4.32 468 389 A 20 PRO HDx A 21 ARG H 1.0 . 4.32 469 390 A 22 LEU H A 20 PRO HA 1.0 . 4.17 470 391 A 22 LEU H A 20 PRO HBx 1.0 . 5.19 471 391 A 22 LEU H A 20 PRO HBy 1.0 . 5.19 472 392 A 22 LEU H A 20 PRO HDy 1.0 . 5.06 473 392 A 22 LEU H A 20 PRO HDx 1.0 . 5.06 474 393 A 21 ARG HA A 21 ARG HD2 1.0 . 5.73 475 393 A 21 ARG HA A 21 ARG HD3 1.0 . 5.73 476 394 A 21 ARG H A 21 ARG HD2 1.0 . 5.03 477 394 A 21 ARG H A 21 ARG HD3 1.0 . 5.03 478 395 A 21 ARG H A 21 ARG HB2 1.0 . 3.65 479 395 A 21 ARG HB3 A 21 ARG H 1.0 . 3.65 480 396 A 21 ARG H A 21 ARG HGx 1.0 . 3.80 481 396 A 21 ARG H A 21 ARG HGy 1.0 . 3.80 482 397 A 22 LEU H A 21 ARG HD2 1.0 . 5.10 483 397 A 22 LEU H A 21 ARG HD3 1.0 . 5.10 484 398 A 22 LEU H A 21 ARG HB2 1.0 . 3.90 485 398 A 22 LEU H A 21 ARG HB3 1.0 . 3.90 486 399 A 22 LEU H A 21 ARG HGx 1.0 . 3.88 487 399 A 22 LEU H A 21 ARG HGy 1.0 . 3.88 488 400 A 21 ARG H A 22 LEU HG 1.0 . 5.52 489 401 A 22 LEU HBx A 21 ARG H 1.0 . 5.67 490 402 A 22 LEU H A 21 ARG H 1.0 . 5.77 491 403 A 22 LEU HA A 21 ARG HGx 1.0 . 5.47 492 403 A 21 ARG HGy A 22 LEU HA 1.0 . 5.47 493 404 A 22 LEU HDy% A 21 ARG HGx 1.0 . 5.61 494 404 A 22 LEU HDy% A 21 ARG HGy 1.0 . 5.61 495 405 A 22 LEU HDx% A 22 LEU HA 1.0 . 4.68 496 406 A 22 LEU HDy% A 22 LEU HA 1.0 . 3.72 497 407 A 22 LEU HDx% A 22 LEU HBy 1.0 . 4.20 498 408 A 22 LEU HBy A 22 LEU H 1.0 . 3.76 499 409 A 22 LEU HBx A 22 LEU H 1.0 . 2.99 500 410 A 22 LEU H A 22 LEU HG 1.0 . 3.05 501 411 A 22 LEU HDx% A 22 LEU H 1.0 . 3.80 502 412 A 22 LEU HDy% A 22 LEU H 1.0 . 3.70 503 413 A 22 LEU HA A 23 THR HG2% 1.0 . 5.35 504 414 A 22 LEU HA A 23 THR H 1.0 . 2.60 505 415 A 22 LEU HBx A 23 THR H 1.0 . 4.18 506 416 A 22 LEU HBy A 23 THR H 1.0 . 3.39 507 417 A 22 LEU HG A 23 THR H 1.0 . 4.83 508 418 A 22 LEU HDx% A 23 THR H 1.0 . 4.63 509 419 A 22 LEU HDy% A 23 THR H 1.0 . 3.68 510 420 A 22 LEU H A 23 THR HA 1.0 . 5.73 511 421 A 22 LEU H A 23 THR HG2% 1.0 . 5.64 512 422 A 22 LEU HA A 26 ASP HBy 1.0 . 5.42 513 423 A 22 LEU HBy A 26 ASP HBy 1.0 . 4.81 514 424 A 22 LEU HBx A 26 ASP HBy 1.0 . 5.74 515 425 A 22 LEU HDx% A 26 ASP HBy 1.0 . 5.08 516 426 A 22 LEU HDx% A 26 ASP HBx 1.0 . 5.26 517 427 A 22 LEU HG A 26 ASP HBy 1.0 . 5.65 518 428 A 22 LEU HDy% A 26 ASP HBy 1.0 . 4.97 519 429 A 22 LEU HA A 26 ASP HBx 1.0 . 5.16 520 430 A 22 LEU HBx A 26 ASP HBx 1.0 . 5.22 521 431 A 22 LEU HBy A 26 ASP HBx 1.0 . 4.34 522 432 A 22 LEU HG A 26 ASP HBx 1.0 . 5.37 523 433 A 22 LEU HDy% A 26 ASP HBx 1.0 . 4.93 524 434 A 22 LEU HA A 26 ASP H 1.0 . 5.47 525 435 A 22 LEU HDx% A 26 ASP H 1.0 . 6.01 526 436 A 22 LEU HDy% A 26 ASP H 1.0 . 4.96 527 437 A 22 LEU H A 26 ASP HBx 1.0 . 5.89 528 438 A 22 LEU H A 26 ASP HBy 1.0 . 6.34 529 439 A 22 LEU HDy% A 27 VAL HA 1.0 . 5.98 530 440 A 27 VAL HGy% A 22 LEU HDy% 1.0 . 4.93 531 441 A 27 VAL HGy% A 22 LEU HBy 1.0 . 4.66 532 442 A 27 VAL HGy% A 22 LEU HBx 1.0 . 4.91 533 443 A 22 LEU HDx% A 27 VAL HA 1.0 . 5.86 534 444 A 27 VAL HGy% A 22 LEU HDx% 1.0 . 4.80 535 445 A 27 VAL HGy% A 22 LEU HG 1.0 . 5.72 536 446 A 22 LEU HA A 27 VAL H 1.0 . 6.03 537 447 A 22 LEU HBy A 27 VAL H 1.0 . 4.18 538 448 A 22 LEU HBx A 27 VAL H 1.0 . 5.80 539 449 A 22 LEU HDy% A 27 VAL H 1.0 . 4.70 540 450 A 22 LEU HDx% A 27 VAL H 1.0 . 4.74 541 451 A 27 VAL HGy% A 22 LEU H 1.0 . 5.85 542 452 A 22 LEU HDx% A 30 HIS HBy 1.0 . 7.00 543 453 A 22 LEU HDx% A 30 HIS H 1.0 . 6.28 544 454 A 22 LEU HDy% A 30 HIS H 1.0 . 6.01 545 455 A 23 THR HG2% A 23 THR HA 1.0 . 3.90 546 456 A 23 THR HG2% A 23 THR H 1.0 . 3.26 547 457 A 23 THR H A 23 THR HB 1.0 . 3.96 548 458 A 23 THR HB A 24 GLN H 1.0 . 4.38 549 459 A 23 THR HG2% A 24 GLN H 1.0 . 5.33 550 460 A 23 THR HB A 25 LEU H 1.0 . 3.16 551 461 A 23 THR HA A 25 LEU H 1.0 . 4.47 552 462 A 23 THR HG2% A 25 LEU H 1.0 . 4.43 553 463 A 23 THR HG2% A 26 ASP HBx 1.0 . 6.27 554 464 A 26 ASP H A 23 THR HB 1.0 . 4.08 555 465 A 23 THR HA A 26 ASP H 1.0 . 4.57 556 466 A 23 THR HG2% A 26 ASP H 1.0 . 4.82 557 467 A 23 THR H A 26 ASP HBx 1.0 . 3.18 558 468 A 23 THR H A 26 ASP HBy 1.0 . 3.49 559 469 A 23 THR H A 26 ASP HA 1.0 . 4.93 560 470 A 27 VAL H A 23 THR HB 1.0 . 5.71 561 471 A 23 THR HA A 27 VAL H 1.0 . 5.31 562 472 A 23 THR HG2% A 27 VAL H 1.0 . 6.27 563 473 A 27 VAL HGy% A 23 THR H 1.0 . 4.73 564 474 A 24 GLN H A 24 GLN HG2 1.0 . 4.69 565 474 A 24 GLN H A 24 GLN HG3 1.0 . 4.69 566 475 A 24 GLN H A 25 LEU HB2 1.0 . 4.92 567 475 A 24 GLN H A 25 LEU HB3 1.0 . 4.92 568 476 A 24 GLN H A 25 LEU HDy% 1.0 . 6.17 569 477 A 25 LEU H A 24 GLN HG2 1.0 . 4.04 570 477 A 25 LEU H A 24 GLN HG3 1.0 . 4.04 571 478 A 25 LEU H A 24 GLN HBy 1.0 . 4.22 572 479 A 25 LEU H A 24 GLN HBx 1.0 . 4.22 573 480 A 25 LEU H A 24 GLN HBy 1.0 . 3.67 574 480 A 25 LEU H A 24 GLN HBx 1.0 . 3.67 575 481 A 26 ASP HA A 24 GLN HA 1.0 . 7.00 576 482 A 26 ASP HBx A 24 GLN H 1.0 . 5.69 577 483 A 26 ASP H A 24 GLN HA 1.0 . 4.44 578 484 A 26 ASP H A 24 GLN HG2 1.0 . 5.31 579 484 A 26 ASP H A 24 GLN HG3 1.0 . 5.31 580 485 A 26 ASP H A 24 GLN HBx 1.0 . 6.09 581 486 A 26 ASP H A 24 GLN HBy 1.0 . 6.09 582 487 A 27 VAL HB A 24 GLN HA 1.0 . 3.92 583 488 A 27 VAL HGx% A 24 GLN HA 1.0 . 5.24 584 489 A 27 VAL HGy% A 24 GLN HA 1.0 . 4.56 585 490 A 27 VAL H A 24 GLN HA 1.0 . 3.81 586 491 A 27 VAL H A 24 GLN HG2 1.0 . 5.63 587 491 A 27 VAL H A 24 GLN HG3 1.0 . 5.63 588 492 A 27 VAL H A 24 GLN HBy 1.0 . 6.38 589 493 A 27 VAL H A 24 GLN HBx 1.0 . 6.38 590 494 A 27 VAL H A 24 GLN HBy 1.0 . 5.58 591 494 A 27 VAL H A 24 GLN HBx 1.0 . 5.58 592 495 A 24 GLN HA A 28 ASP HA 1.0 . 7.00 593 496 A 25 LEU HA A 25 LEU HDx% 1.0 . 4.29 594 497 A 25 LEU HDy% A 25 LEU HA 1.0 . 4.87 595 498 A 25 LEU H A 25 LEU HB2 1.0 . 2.66 596 498 A 25 LEU H A 25 LEU HB3 1.0 . 2.66 597 499 A 25 LEU H A 25 LEU HG 1.0 . 3.43 598 500 A 25 LEU H A 25 LEU HDy% 1.0 . 3.99 599 501 A 26 ASP H A 25 LEU HB2 1.0 . 3.50 600 501 A 26 ASP H A 25 LEU HB3 1.0 . 3.50 601 502 A 26 ASP H A 25 LEU HG 1.0 . 4.41 602 503 A 25 LEU H A 26 ASP HA 1.0 . 5.23 603 504 A 26 ASP HBx A 25 LEU H 1.0 . 4.97 604 505 A 26 ASP H A 25 LEU HDx% 1.0 . 4.50 605 506 A 26 ASP H A 25 LEU H 1.0 . 4.43 606 507 A 27 VAL H A 25 LEU HA 1.0 . 4.65 607 508 A 27 VAL H A 25 LEU HG 1.0 . 5.61 608 509 A 27 VAL HB A 25 LEU H 1.0 . 5.44 609 510 A 27 VAL HGy% A 25 LEU H 1.0 . 5.29 610 511 A 25 LEU HA A 28 ASP HBx 1.0 . 4.08 611 512 A 25 LEU HA A 28 ASP HBy 1.0 . 4.51 612 513 A 25 LEU HA A 28 ASP H 1.0 . 4.04 613 514 A 25 LEU HDx% A 28 ASP H 1.0 . 5.96 614 515 A 25 LEU H A 28 ASP HBx 1.0 . 5.72 615 516 A 25 LEU HA A 29 SER H 1.0 . 4.54 616 517 A 29 SER H A 25 LEU HB2 1.0 . 5.24 617 517 A 25 LEU HB3 A 29 SER H 1.0 . 5.24 618 518 A 25 LEU HG A 29 SER H 1.0 . 6.31 619 519 A 25 LEU HDx% A 29 SER H 1.0 . 4.85 620 520 A 26 ASP HBx A 26 ASP H 1.0 . 3.12 621 521 A 26 ASP HBy A 26 ASP H 1.0 . 3.59 622 522 A 27 VAL HGy% A 26 ASP HBy 1.0 . 5.81 623 523 A 27 VAL HGy% A 26 ASP HBx 1.0 . 5.42 624 524 A 26 ASP HBx A 27 VAL H 1.0 . 3.42 625 525 A 26 ASP HBy A 27 VAL H 1.0 . 3.68 626 526 A 27 VAL HA A 26 ASP H 1.0 . 5.47 627 527 A 27 VAL HB A 26 ASP H 1.0 . 4.89 628 528 A 27 VAL HGx% A 26 ASP H 1.0 . 5.93 629 529 A 27 VAL HGy% A 26 ASP H 1.0 . 4.21 630 530 A 26 ASP H A 27 VAL H 1.0 . 4.35 631 531 A 26 ASP HBx A 28 ASP H 1.0 . 6.18 632 532 A 26 ASP HBy A 28 ASP H 1.0 . 5.76 633 533 A 26 ASP HA A 29 SER HBx 1.0 . 4.15 634 533 A 26 ASP HA A 29 SER HBy 1.0 . 4.15 635 534 A 26 ASP HA A 29 SER HBy 1.0 . 4.87 636 535 A 26 ASP HA A 29 SER H 1.0 . 3.88 637 536 A 26 ASP HBy A 29 SER H 1.0 . 5.36 638 537 A 26 ASP HBx A 29 SER H 1.0 . 5.84 639 538 A 26 ASP H A 29 SER HBx 1.0 . 4.95 640 538 A 26 ASP H A 29 SER HBy 1.0 . 4.95 641 539 A 30 HIS H A 26 ASP HBy 1.0 . 5.23 642 540 A 30 HIS H A 26 ASP HBx 1.0 . 6.34 643 541 A 30 HIS H A 26 ASP HA 1.0 . 4.85 644 542 A 27 VAL HGy% A 27 VAL HA 1.0 . 3.73 645 543 A 27 VAL HGx% A 27 VAL HA 1.0 . 3.99 646 544 A 27 VAL HB A 27 VAL H 1.0 . 2.90 647 545 A 27 VAL HGx% A 27 VAL H 1.0 . 3.83 648 546 A 27 VAL HGy% A 27 VAL H 1.0 . 2.89 649 547 A 27 VAL HGx% A 28 ASP HA 1.0 . 4.99 650 548 A 27 VAL HB A 28 ASP H 1.0 . 3.13 651 549 A 27 VAL HGx% A 28 ASP H 1.0 . 3.71 652 550 A 27 VAL HGy% A 28 ASP H 1.0 . 3.89 653 551 A 27 VAL H A 28 ASP HBx 1.0 . 5.08 654 552 A 27 VAL H A 28 ASP HBy 1.0 . 6.19 655 553 A 27 VAL H A 28 ASP H 1.0 . 4.56 656 554 A 27 VAL HB A 29 SER H 1.0 . 5.05 657 555 A 27 VAL HGx% A 29 SER H 1.0 . 4.92 658 556 A 27 VAL HGy% A 29 SER H 1.0 . 5.48 659 557 A 27 VAL HA A 29 SER H 1.0 . 4.60 660 558 A 27 VAL H A 29 SER HBx 1.0 . 5.31 661 558 A 27 VAL H A 29 SER HBy 1.0 . 5.31 662 559 A 27 VAL HA A 30 HIS HBx 1.0 . 5.17 663 560 A 27 VAL HGx% A 30 HIS HBx 1.0 . 6.94 664 561 A 27 VAL HA A 30 HIS HBy 1.0 . 4.60 665 562 A 27 VAL HGx% A 30 HIS HBy 1.0 . 6.21 666 563 A 27 VAL HGy% A 30 HIS HBy 1.0 . 6.30 667 564 A 27 VAL HA A 30 HIS H 1.0 . 3.95 668 565 A 27 VAL HGx% A 30 HIS H 1.0 . 4.76 669 566 A 27 VAL HGy% A 30 HIS H 1.0 . 5.61 670 567 A 27 VAL HB A 30 HIS H 1.0 . 6.08 671 568 A 30 HIS HBy A 27 VAL H 1.0 . 6.27 672 569 A 30 HIS HBx A 27 VAL H 1.0 . 6.78 673 570 A 27 VAL HGx% A 31 LEU HG 1.0 . 4.59 674 571 A 27 VAL HGx% A 31 LEU HDy% 1.0 . 4.92 675 572 A 27 VAL HGx% A 31 LEU HDx% 1.0 . 3.91 676 573 A 31 LEU HDx% A 27 VAL HA 1.0 . 6.57 677 574 A 27 VAL HGx% A 31 LEU HBx 1.0 . 6.23 678 575 A 31 LEU H A 27 VAL HA 1.0 . 4.54 679 576 A 27 VAL HGx% A 31 LEU H 1.0 . 4.00 680 577 A 27 VAL HGy% A 31 LEU H 1.0 . 5.85 681 578 A 31 LEU HG A 27 VAL H 1.0 . 6.96 682 579 A 27 VAL HGx% A 32 ALA H 1.0 . 6.24 683 580 A 28 ASP HBx A 28 ASP H 1.0 . 3.20 684 581 A 28 ASP HBy A 28 ASP H 1.0 . 3.48 685 582 A 28 ASP HBx A 29 SER H 1.0 . 3.58 686 583 A 28 ASP HBy A 29 SER H 1.0 . 3.62 687 584 A 28 ASP H A 29 SER HBy 1.0 . 5.60 688 585 A 28 ASP H A 29 SER HA 1.0 . 5.33 689 586 A 28 ASP H A 29 SER H 1.0 . 4.44 690 587 A 30 HIS H A 28 ASP HBx 1.0 . 6.20 691 588 A 30 HIS H A 28 ASP HBy 1.0 . 5.76 692 589 A 30 HIS H A 28 ASP HA 1.0 . 5.23 693 590 A 28 ASP HA A 31 LEU HBx 1.0 . 4.30 694 591 A 31 LEU HBy A 28 ASP HA 1.0 . 4.87 695 592 A 31 LEU HG A 28 ASP HA 1.0 . 5.38 696 593 A 31 LEU HDx% A 28 ASP HA 1.0 . 4.23 697 594 A 31 LEU H A 28 ASP HA 1.0 . 3.70 698 595 A 31 LEU H A 28 ASP HBy 1.0 . 5.55 699 596 A 28 ASP H A 31 LEU HBx 1.0 . 5.40 700 597 A 31 LEU HDx% A 28 ASP H 1.0 . 4.92 701 598 A 31 LEU H A 28 ASP HBx 1.0 . 5.97 702 599 A 28 ASP HA A 32 ALA H 1.0 . 4.44 703 600 A 28 ASP HBy A 32 ALA H 1.0 . 5.74 704 601 A 28 ASP HBx A 32 ALA H 1.0 . 6.43 705 602 A 29 SER H A 29 SER HBy 1.0 . 3.13 706 603 A 29 SER H A 29 SER HBx 1.0 . 3.06 707 604 A 30 HIS H A 29 SER HBy 1.0 . 3.34 708 605 A 30 HIS H A 29 SER HBx 1.0 . 3.46 709 606 A 30 HIS HBy A 29 SER H 1.0 . 5.08 710 607 A 30 HIS HBx A 29 SER H 1.0 . 5.55 711 608 A 29 SER H A 30 HIS HA 1.0 . 5.49 712 609 A 30 HIS H A 29 SER H 1.0 . 4.37 713 610 A 31 LEU H A 29 SER HBx 1.0 . 4.77 714 610 A 31 LEU H A 29 SER HBy 1.0 . 4.77 715 611 A 31 LEU H A 29 SER HA 1.0 . 4.75 716 612 A 29 SER H A 31 LEU HBx 1.0 . 5.76 717 613 A 31 LEU HG A 29 SER H 1.0 . 5.71 718 614 A 31 LEU HDx% A 29 SER H 1.0 . 5.53 719 615 A 29 SER HA A 32 ALA HB% 1.0 . 4.15 720 616 A 29 SER HBy A 32 ALA HB% 1.0 . 6.16 721 617 A 32 ALA H A 29 SER HA 1.0 . 4.03 722 618 A 29 SER HBy A 32 ALA H 1.0 . 5.73 723 619 A 29 SER H A 32 ALA HB% 1.0 . 5.20 724 620 A 29 SER HBy A 33 GLN H 1.0 . 6.06 725 621 A 30 HIS HE1 A 30 HIS HA 1.0 . 5.59 726 622 A 30 HIS HBy A 30 HIS H 1.0 . 3.18 727 623 A 30 HIS HBx A 30 HIS H 1.0 . 3.15 728 624 A 30 HIS HD2 A 30 HIS H 1.0 . 5.20 729 625 A 31 LEU HA A 30 HIS HBy 1.0 . 6.77 730 626 A 31 LEU HDy% A 30 HIS HBy 1.0 . 6.47 731 627 A 31 LEU HDx% A 30 HIS HBy 1.0 . 7.00 732 628 A 30 HIS HD2 A 31 LEU HA 1.0 . 3.73 733 629 A 30 HIS HD2 A 31 LEU HG 1.0 . 4.86 734 630 A 30 HIS HD2 A 31 LEU HDy% 1.0 . 3.81 735 631 A 30 HIS HD2 A 31 LEU HDx% 1.0 . 5.72 736 632 A 31 LEU H A 30 HIS HBy 1.0 . 3.23 737 633 A 31 LEU H A 30 HIS HBx 1.0 . 3.99 738 634 A 31 LEU HA A 30 HIS H 1.0 . 5.47 739 635 A 30 HIS H A 31 LEU HBx 1.0 . 4.76 740 636 A 31 LEU HBy A 30 HIS H 1.0 . 6.34 741 637 A 30 HIS H A 31 LEU HG 1.0 . 4.69 742 638 A 31 LEU HDy% A 30 HIS H 1.0 . 5.83 743 639 A 31 LEU HDx% A 30 HIS H 1.0 . 6.57 744 640 A 31 LEU H A 30 HIS H 1.0 . 4.20 745 641 A 30 HIS HBx A 32 ALA H 1.0 . 5.66 746 642 A 30 HIS HBy A 32 ALA H 1.0 . 5.05 747 643 A 30 HIS H A 32 ALA HB% 1.0 . 5.18 748 644 A 32 ALA H A 30 HIS HA 1.0 . 4.69 749 645 A 30 HIS HA A 33 GLN HB2 1.0 . 4.41 750 645 A 30 HIS HA A 33 GLN HB3 1.0 . 4.41 751 646 A 30 HIS HA A 33 GLN HGy 1.0 . 5.74 752 646 A 30 HIS HA A 33 GLN HGx 1.0 . 5.74 753 647 A 30 HIS HA A 33 GLN H 1.0 . 3.96 754 648 A 30 HIS H A 33 GLN HB2 1.0 . 5.81 755 648 A 30 HIS H A 33 GLN HB3 1.0 . 5.81 756 649 A 30 HIS HBy A 33 GLN H 1.0 . 5.65 757 650 A 30 HIS HBx A 33 GLN H 1.0 . 5.89 758 651 A 30 HIS HA A 33 GLN HGy 1.0 . 5.74 759 651 A 30 HIS HA A 33 GLN HGx 1.0 . 5.74 760 652 A 34 CYS HBx A 30 HIS HE1 1.0 . 5.10 761 653 A 30 HIS HD2 A 34 CYS HBy 1.0 . 4.87 762 654 A 30 HIS HD2 A 34 CYS HBx 1.0 . 4.27 763 655 A 30 HIS HE1 A 34 CYS HA 1.0 . 6.18 764 656 A 34 CYS H A 30 HIS HA 1.0 . 4.59 765 657 A 31 LEU HA A 31 LEU HDx% 1.0 . 5.38 766 658 A 31 LEU HA A 31 LEU HDy% 1.0 . 3.84 767 659 A 31 LEU H A 31 LEU HBx 1.0 . 3.06 768 660 A 31 LEU H A 31 LEU HBy 1.0 . 3.66 769 661 A 31 LEU H A 31 LEU HG 1.0 . 2.94 770 662 A 31 LEU HDy% A 31 LEU H 1.0 . 3.67 771 663 A 31 LEU H A 31 LEU HDx% 1.0 . 3.85 772 664 A 31 LEU HBx A 32 ALA HA 1.0 . 6.36 773 665 A 31 LEU HBx A 32 ALA H 1.0 . 3.37 774 666 A 31 LEU HBy A 32 ALA H 1.0 . 3.91 775 667 A 31 LEU HDy% A 32 ALA H 1.0 . 4.99 776 668 A 31 LEU HDx% A 32 ALA H 1.0 . 4.99 777 669 A 31 LEU HG A 32 ALA H 1.0 . 4.88 778 670 A 31 LEU H A 32 ALA HB% 1.0 . 4.62 779 671 A 31 LEU H A 32 ALA HA 1.0 . 5.42 780 672 A 31 LEU H A 32 ALA H 1.0 . 4.34 781 673 A 31 LEU HBx A 33 GLN H 1.0 . 5.40 782 674 A 31 LEU HBy A 33 GLN H 1.0 . 6.47 783 675 A 31 LEU HA A 33 GLN H 1.0 . 5.07 784 676 A 31 LEU H A 33 GLN HB2 1.0 . 6.03 785 676 A 31 LEU H A 33 GLN HB3 1.0 . 6.03 786 677 A 31 LEU HA A 34 CYS HBx 1.0 . 4.52 787 678 A 31 LEU HDy% A 34 CYS HBx 1.0 . 5.95 788 679 A 31 LEU HA A 34 CYS HBy 1.0 . 4.56 789 680 A 31 LEU HDy% A 34 CYS HBy 1.0 . 5.69 790 681 A 31 LEU H A 34 CYS HBy 1.0 . 5.99 791 682 A 31 LEU H A 34 CYS HBx 1.0 . 5.20 792 683 A 31 LEU HA A 34 CYS H 1.0 . 3.74 793 684 A 31 LEU HDy% A 34 CYS H 1.0 . 5.37 794 685 A 31 LEU HA A 35 LEU H 1.0 . 4.18 795 686 A 31 LEU HDy% A 35 LEU H 1.0 . 5.16 796 687 A 31 LEU H A 35 LEU HDy% 1.0 . 5.77 797 687 A 31 LEU H A 35 LEU HDx% 1.0 . 5.77 798 688 A 31 LEU HA A 36 ALA H 1.0 . 6.84 799 689 A 32 ALA H A 32 ALA HB% 1.0 . 2.66 800 690 A 32 ALA HB% A 33 GLN HB2 1.0 . 5.93 801 690 A 32 ALA HB% A 33 GLN HB3 1.0 . 5.93 802 691 A 32 ALA HB% A 33 GLN H 1.0 . 3.29 803 692 A 32 ALA H A 33 GLN HA 1.0 . 5.14 804 693 A 32 ALA H A 33 GLN HB2 1.0 . 4.55 805 693 A 32 ALA H A 33 GLN HB3 1.0 . 4.55 806 694 A 32 ALA H A 33 GLN H 1.0 . 4.28 807 695 A 32 ALA H A 33 GLN HGy 1.0 . 4.73 808 695 A 32 ALA H A 33 GLN HGx 1.0 . 4.73 809 696 A 32 ALA HB% A 33 GLN HGy 1.0 . 5.92 810 696 A 32 ALA HB% A 33 GLN HGx 1.0 . 5.92 811 697 A 34 CYS HBx A 32 ALA H 1.0 . 5.22 812 698 A 34 CYS HBy A 32 ALA H 1.0 . 5.61 813 699 A 34 CYS H A 32 ALA HA 1.0 . 4.72 814 700 A 34 CYS H A 32 ALA HB% 1.0 . 5.06 815 701 A 32 ALA HA A 35 LEU HB2 1.0 . 4.57 816 701 A 35 LEU HB3 A 32 ALA HA 1.0 . 4.57 817 702 A 35 LEU H A 32 ALA HA 1.0 . 3.86 818 703 A 32 ALA H A 35 LEU HG 1.0 . 5.52 819 704 A 32 ALA H A 35 LEU HDy% 1.0 . 5.00 820 704 A 35 LEU HDx% A 32 ALA H 1.0 . 5.00 821 705 A 32 ALA HA A 35 LEU HDy% 1.0 . 5.08 822 705 A 35 LEU HDx% A 32 ALA HA 1.0 . 5.08 823 706 A 36 ALA H A 32 ALA HA 1.0 . 5.00 824 707 A 33 GLN H A 33 GLN HB2 1.0 . 2.82 825 707 A 33 GLN H A 33 GLN HB3 1.0 . 2.82 826 708 A 33 GLN H A 33 GLN HGy 1.0 . 3.92 827 709 A 33 GLN H A 33 GLN HGx 1.0 . 3.92 828 710 A 33 GLN H A 33 GLN HGy 1.0 . 3.38 829 710 A 33 GLN H A 33 GLN HGx 1.0 . 3.38 830 711 A 34 CYS HBy A 33 GLN H 1.0 . 5.45 831 712 A 34 CYS HBx A 33 GLN H 1.0 . 4.68 832 713 A 33 GLN H A 34 CYS HA 1.0 . 5.27 833 714 A 34 CYS H A 33 GLN HGx 1.0 . 5.09 834 715 A 34 CYS H A 33 GLN HGy 1.0 . 5.09 835 716 A 34 CYS H A 33 GLN HB2 1.0 . 3.19 836 716 A 34 CYS H A 33 GLN HB3 1.0 . 3.19 837 717 A 34 CYS H A 33 GLN H 1.0 . 4.03 838 718 A 34 CYS H A 33 GLN HGy 1.0 . 4.47 839 718 A 34 CYS H A 33 GLN HGx 1.0 . 4.47 840 719 A 35 LEU H A 33 GLN HGy 1.0 . 7.00 841 719 A 35 LEU H A 33 GLN HGx 1.0 . 7.00 842 720 A 35 LEU H A 33 GLN HB2 1.0 . 5.46 843 720 A 35 LEU H A 33 GLN HB3 1.0 . 5.46 844 721 A 33 GLN H A 35 LEU HB2 1.0 . 6.84 845 721 A 35 LEU HB3 A 33 GLN H 1.0 . 6.84 846 722 A 36 ALA HB% A 33 GLN HB2 1.0 . 6.20 847 722 A 33 GLN HB3 A 36 ALA HB% 1.0 . 6.20 848 723 A 36 ALA HB% A 33 GLN HGy 1.0 . 6.69 849 723 A 33 GLN HGx A 36 ALA HB% 1.0 . 6.69 850 724 A 33 GLN HA A 36 ALA HA 1.0 . 6.41 851 725 A 33 GLN HA A 36 ALA HB% 1.0 . 4.03 852 726 A 36 ALA H A 33 GLN HA 1.0 . 3.68 853 727 A 36 ALA H A 33 GLN HB2 1.0 . 5.18 854 727 A 36 ALA H A 33 GLN HB3 1.0 . 5.18 855 728 A 36 ALA H A 33 GLN HGy 1.0 . 5.40 856 728 A 36 ALA H A 33 GLN HGx 1.0 . 5.40 857 729 A 34 CYS HBy A 34 CYS H 1.0 . 3.22 858 730 A 34 CYS HBx A 34 CYS H 1.0 . 2.88 859 731 A 34 CYS HBy A 35 LEU H 1.0 . 3.41 860 732 A 34 CYS HBx A 35 LEU H 1.0 . 3.70 861 733 A 34 CYS H A 35 LEU HB2 1.0 . 4.78 862 733 A 34 CYS H A 35 LEU HB3 1.0 . 4.78 863 734 A 34 CYS H A 35 LEU HG 1.0 . 5.45 864 735 A 34 CYS H A 35 LEU HDy% 1.0 . 5.29 865 735 A 34 CYS H A 35 LEU HDx% 1.0 . 5.29 866 736 A 36 ALA H A 34 CYS HA 1.0 . 4.50 867 737 A 34 CYS HBy A 36 ALA H 1.0 . 5.27 868 738 A 34 CYS HBx A 36 ALA H 1.0 . 5.81 869 739 A 34 CYS H A 36 ALA HB% 1.0 . 5.45 870 740 A 37 GLU H A 34 CYS HA 1.0 . 4.02 871 741 A 34 CYS HBy A 37 GLU H 1.0 . 5.80 872 742 A 34 CYS HBx A 37 GLU H 1.0 . 5.95 873 743 A 34 CYS HA A 37 GLU HBy 1.0 . 4.79 874 743 A 34 CYS HA A 37 GLU HBx 1.0 . 4.79 875 744 A 35 LEU HDx% A 35 LEU HB2 1.0 . 3.95 876 744 A 35 LEU HB3 A 35 LEU HDx% 1.0 . 3.95 877 745 A 35 LEU HB3 A 35 LEU HDy% 1.0 . 3.95 878 745 A 35 LEU HB2 A 35 LEU HDy% 1.0 . 3.95 879 746 A 35 LEU H A 35 LEU HB2 1.0 . 2.70 880 746 A 35 LEU HB3 A 35 LEU H 1.0 . 2.70 881 747 A 35 LEU H A 35 LEU HG 1.0 . 3.30 882 748 A 35 LEU H A 35 LEU HDx% 1.0 . 4.38 883 749 A 35 LEU H A 35 LEU HDy% 1.0 . 4.38 884 750 A 35 LEU H A 35 LEU HDy% 1.0 . 3.84 885 750 A 35 LEU H A 35 LEU HDx% 1.0 . 3.84 886 751 A 35 LEU HA A 35 LEU HDy% 1.0 . 3.88 887 751 A 35 LEU HA A 35 LEU HDx% 1.0 . 3.88 888 752 A 36 ALA HA A 35 LEU HB2 1.0 . 5.69 889 752 A 35 LEU HB3 A 36 ALA HA 1.0 . 5.69 890 753 A 35 LEU HA A 36 ALA HA 1.0 . 7.00 891 754 A 36 ALA HB% A 35 LEU HB2 1.0 . 7.00 892 754 A 35 LEU HB3 A 36 ALA HB% 1.0 . 7.00 893 755 A 36 ALA H A 35 LEU HB2 1.0 . 3.70 894 755 A 35 LEU HB3 A 36 ALA H 1.0 . 3.70 895 756 A 36 ALA H A 35 LEU HG 1.0 . 4.73 896 757 A 35 LEU HDx% A 36 ALA H 1.0 . 5.26 897 758 A 36 ALA H A 35 LEU HDy% 1.0 . 5.26 898 759 A 35 LEU H A 36 ALA HA 1.0 . 5.47 899 760 A 35 LEU H A 36 ALA HB% 1.0 . 4.32 900 761 A 35 LEU H A 36 ALA H 1.0 . 4.50 901 762 A 36 ALA H A 35 LEU HDy% 1.0 . 4.44 902 762 A 35 LEU HDx% A 36 ALA H 1.0 . 4.44 903 763 A 37 GLU H A 35 LEU HB2 1.0 . 5.36 904 763 A 35 LEU HB3 A 37 GLU H 1.0 . 5.36 905 764 A 35 LEU HDx% A 37 GLU H 1.0 . 7.00 906 765 A 37 GLU H A 35 LEU HDy% 1.0 . 7.00 907 766 A 37 GLU H A 35 LEU HDy% 1.0 . 5.88 908 766 A 35 LEU HDx% A 37 GLU H 1.0 . 5.88 909 767 A 35 LEU HA A 38 SER HB2 1.0 . 5.16 910 767 A 35 LEU HA A 38 SER HB3 1.0 . 5.16 911 768 A 38 SER H A 35 LEU HB2 1.0 . 5.45 912 768 A 35 LEU HB3 A 38 SER H 1.0 . 5.45 913 769 A 38 SER H A 35 LEU HDy% 1.0 . 5.28 914 769 A 35 LEU HDx% A 38 SER H 1.0 . 5.28 915 770 A 36 ALA H A 36 ALA HB% 1.0 . 2.67 916 771 A 36 ALA HA A 37 GLU HA 1.0 . 7.00 917 772 A 37 GLU H A 36 ALA HB% 1.0 . 3.23 918 773 A 36 ALA H A 37 GLU H 1.0 . 5.14 919 774 A 36 ALA H A 37 GLU HBy 1.0 . 5.09 920 774 A 36 ALA H A 37 GLU HBx 1.0 . 5.09 921 775 A 36 ALA H A 37 GLU HGx 1.0 . 5.60 922 775 A 36 ALA H A 37 GLU HGy 1.0 . 5.60 923 776 A 36 ALA HA A 38 SER H 1.0 . 4.54 924 777 A 36 ALA HB% A 38 SER H 1.0 . 4.56 925 778 A 36 ALA HA A 39 THR H 1.0 . 7.00 926 779 A 37 GLU H A 37 GLU HGy 1.0 . 4.04 927 780 A 37 GLU H A 37 GLU HGx 1.0 . 4.04 928 781 A 37 GLU H A 37 GLU HBy 1.0 . 3.06 929 781 A 37 GLU H A 37 GLU HBx 1.0 . 3.06 930 782 A 37 GLU H A 37 GLU HBy 1.0 . 3.06 931 782 A 37 GLU H A 37 GLU HBx 1.0 . 3.06 932 783 A 37 GLU H A 37 GLU HGx 1.0 . 3.44 933 783 A 37 GLU H A 37 GLU HGy 1.0 . 3.44 934 784 A 37 GLU H A 38 SER HA 1.0 . 5.30 935 785 A 38 SER H A 37 GLU HGy 1.0 . 5.12 936 786 A 38 SER H A 37 GLU HGx 1.0 . 5.12 937 787 A 38 SER H A 37 GLU HBy 1.0 . 4.39 938 788 A 37 GLU HBx A 38 SER H 1.0 . 4.39 939 789 A 37 GLU H A 38 SER HB2 1.0 . 4.97 940 789 A 37 GLU H A 38 SER HB3 1.0 . 4.97 941 790 A 38 SER H A 37 GLU HBy 1.0 . 3.77 942 790 A 37 GLU HBx A 38 SER H 1.0 . 3.77 943 791 A 38 SER H A 38 SER HB2 1.0 . 3.02 944 791 A 38 SER HB3 A 38 SER H 1.0 . 3.02 945 792 A 39 THR H A 38 SER HA 1.0 . 3.39 946 793 A 39 THR H A 38 SER HB2 1.0 . 4.15 947 793 A 38 SER HB3 A 39 THR H 1.0 . 4.15 948 794 A 38 SER H A 39 THR HA 1.0 . 5.38 949 795 A 38 SER H A 39 THR HB 1.0 . 6.45 950 796 A 38 SER H A 39 THR HG2% 1.0 . 6.05 951 797 A 38 SER HA A 40 GLU H 1.0 . 5.35 952 798 A 40 GLU H A 38 SER HB2 1.0 . 4.99 953 798 A 38 SER HB3 A 40 GLU H 1.0 . 4.99 954 799 A 39 THR HA A 39 THR HG2% 1.0 . 4.00 955 800 A 39 THR H A 39 THR HB 1.0 . 4.14 956 801 A 39 THR H A 39 THR HG2% 1.0 . 4.11 957 802 A 39 THR HB A 40 GLU H 1.0 . 4.49 958 803 A 39 THR HA A 40 GLU H 1.0 . 3.53 959 804 A 39 THR HG2% A 40 GLU H 1.0 . 4.24 960 805 A 39 THR H A 40 GLU H 1.0 . 5.58 961 806 A 39 THR HA A 41 ASP H 1.0 . 5.01 962 807 A 39 THR HB A 41 ASP H 1.0 . 5.12 963 808 A 39 THR HG2% A 41 ASP H 1.0 . 5.41 964 809 A 40 GLU H A 40 GLU HG2 1.0 . 3.89 965 809 A 40 GLU H A 40 GLU HG3 1.0 . 3.89 966 810 A 40 GLU H A 40 GLU HBx 1.0 . 4.10 967 811 A 40 GLU H A 40 GLU HBy 1.0 . 4.10 968 812 A 40 GLU H A 40 GLU HBy 1.0 . 3.23 969 812 A 40 GLU H A 40 GLU HBx 1.0 . 3.23 970 813 A 41 ASP H A 40 GLU HA 1.0 . 3.13 971 814 A 41 ASP H A 40 GLU HG2 1.0 . 4.72 972 814 A 41 ASP H A 40 GLU HG3 1.0 . 4.72 973 815 A 41 ASP H A 40 GLU HBy 1.0 . 4.67 974 816 A 41 ASP H A 40 GLU HBx 1.0 . 4.67 975 817 A 40 GLU H A 41 ASP HA 1.0 . 5.37 976 818 A 40 GLU HA A 42 VAL H 1.0 . 4.98 977 819 A 42 VAL H A 40 GLU HG2 1.0 . 5.52 978 819 A 40 GLU HG3 A 42 VAL H 1.0 . 5.52 979 820 A 42 VAL H A 40 GLU HBy 1.0 . 5.53 980 820 A 40 GLU HBx A 42 VAL H 1.0 . 5.53 981 821 A 41 ASP H A 41 ASP HBy 1.0 . 4.01 982 822 A 41 ASP H A 41 ASP HBx 1.0 . 4.01 983 823 A 41 ASP H A 41 ASP HBx 1.0 . 3.33 984 823 A 41 ASP H A 41 ASP HBy 1.0 . 3.33 985 824 A 41 ASP HA A 42 VAL H 1.0 . 3.14 986 825 A 42 VAL H A 41 ASP HBy 1.0 . 4.78 987 826 A 42 VAL H A 41 ASP HBx 1.0 . 4.78 988 827 A 41 ASP H A 42 VAL HGx% 1.0 . 5.57 989 827 A 41 ASP H A 42 VAL HGy% 1.0 . 5.57 990 828 A 41 ASP HA A 43 THR H 1.0 . 5.78 991 829 A 43 THR H A 41 ASP HBx 1.0 . 5.83 992 829 A 41 ASP HBy A 43 THR H 1.0 . 5.83 993 830 A 42 VAL H A 42 VAL HB 1.0 . 3.29 994 831 A 42 VAL H A 42 VAL HGy% 1.0 . 4.23 995 832 A 42 VAL H A 42 VAL HGx% 1.0 . 4.23 996 833 A 42 VAL H A 42 VAL HGx% 1.0 . 3.34 997 833 A 42 VAL H A 42 VAL HGy% 1.0 . 3.34 998 834 A 43 THR H A 42 VAL HA 1.0 . 2.80 999 835 A 43 THR H A 42 VAL HB 1.0 . 4.43 1000 836 A 42 VAL HGy% A 43 THR H 1.0 . 4.75 1001 837 A 43 THR H A 42 VAL HGx% 1.0 . 4.75 1002 838 A 42 VAL H A 43 THR HA 1.0 . 5.50 1003 839 A 42 VAL H A 43 THR HG2% 1.0 . 5.49 1004 840 A 43 THR H A 42 VAL HGx% 1.0 . 3.95 1005 840 A 42 VAL HGy% A 43 THR H 1.0 . 3.95 1006 841 A 42 VAL HA A 44 TRP H 1.0 . 5.37 1007 842 A 42 VAL HB A 44 TRP H 1.0 . 5.59 1008 843 A 44 TRP H A 42 VAL HGx% 1.0 . 4.52 1009 843 A 42 VAL HGy% A 44 TRP H 1.0 . 4.52 1010 844 A 43 THR H A 43 THR HB 1.0 . 3.82 1011 845 A 43 THR H A 43 THR HG2% 1.0 . 4.04 1012 846 A 44 TRP H A 43 THR HB 1.0 . 4.20 1013 847 A 43 THR HA A 44 TRP H 1.0 . 3.51 1014 848 A 43 THR HG2% A 44 TRP H 1.0 . 4.64 1015 849 A 44 TRP HA A 44 TRP HE3 1.0 . 5.51 1016 850 A 44 TRP H A 44 TRP HD1 1.0 . 4.87 1017 851 A 44 TRP H A 44 TRP HE3 1.0 . 5.57 1018 852 A 44 TRP H A 44 TRP HBx 1.0 . 3.61 1019 852 A 44 TRP H A 44 TRP HBy 1.0 . 3.61 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 16 LYS H A 11 CYS O 1.0 . 2.5 2 2 A 11 CYS O A 16 LYS N 1.0 . 3.5 3 3 A 11 CYS H A 16 LYS O 1.0 . 2.5 4 4 A 16 LYS O A 11 CYS N 1.0 . 3.5 5 5 A 22 LEU H A 19 ALA O 1.0 . 2.5 6 6 A 19 ALA O A 22 LEU N 1.0 . 3.5 7 7 A 27 VAL H A 23 THR O 1.0 . 2.5 8 8 A 23 THR O A 27 VAL N 1.0 . 3.5 9 9 A 28 ASP H A 24 GLN O 1.0 . 2.5 10 10 A 24 GLN O A 28 ASP N 1.0 . 3.5 11 11 A 29 SER H A 25 LEU O 1.0 . 2.5 12 12 A 25 LEU O A 29 SER N 1.0 . 3.5 13 13 A 30 HIS H A 26 ASP O 1.0 . 2.5 14 14 A 26 ASP O A 30 HIS N 1.0 . 3.5 15 15 A 31 LEU H A 27 VAL O 1.0 . 2.5 16 16 A 27 VAL O A 31 LEU N 1.0 . 3.5 17 17 A 32 ALA H A 28 ASP O 1.0 . 2.5 18 18 A 28 ASP O A 32 ALA N 1.0 . 3.5 19 19 A 33 GLN H A 29 SER O 1.0 . 2.5 20 20 A 29 SER O A 33 GLN N 1.0 . 3.5 21 21 A 34 CYS H A 30 HIS O 1.0 . 2.5 22 22 A 30 HIS O A 34 CYS N 1.0 . 3.5 23 23 A 35 LEU H A 31 LEU O 1.0 . 2.5 24 24 A 31 LEU O A 35 LEU N 1.0 . 3.5 25 25 A 36 ALA H A 32 ALA O 1.0 . 2.5 26 26 A 32 ALA O A 36 ALA N 1.0 . 3.5 27 27 A 37 GLU H A 33 GLN O 1.0 . 2.5 28 28 A 33 GLN O A 37 GLU N 1.0 . 3.5 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 square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 9 ARG C A 10 SER N A 10 SER CA A 10 SER C 1.0 -152.4 -84.7 PHI 2 2 A 10 SER N A 10 SER CA A 10 SER C A 11 CYS N 1.0 95.2 175.5 PSI 3 3 A 10 SER C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -158.6 -55.5 PHI 4 4 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 PRO N 1.0 71.3 175.9 PSI 5 5 A 12 PRO C A 13 MET N A 13 MET CA A 13 MET C 1.0 -121.6 -55.5 PHI 6 6 A 13 MET N A 13 MET CA A 13 MET C A 14 CYS N 1.0 -41.6 -0.5 PSI 7 7 A 17 GLU C A 18 PHE N A 18 PHE CA A 18 PHE C 1.0 -143.1 -41.8 PHI 8 8 A 18 PHE N A 18 PHE CA A 18 PHE C A 19 ALA N 1.0 73.6 176.3 PSI 9 9 A 18 PHE C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -132.5 -30.3 PHI 10 10 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 PRO N 1.0 93.2 187.5 PSI 11 11 A 20 PRO C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -98.8 -64.7 PHI 12 12 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 LEU N 1.0 -29.1 6.6 PSI 13 13 A 21 ARG C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -91.8 -49.2 PHI 14 14 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 THR N 1.0 81.4 201.2 PSI 15 15 A 22 LEU C A 23 THR N A 23 THR CA A 23 THR C 1.0 -139.5 -50.1 PHI 16 16 A 23 THR N A 23 THR CA A 23 THR C A 24 GLN N 1.0 147.4 178.5 PSI 17 17 A 23 THR C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -69.3 -48.7 PHI 18 18 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 LEU N 1.0 -49.6 -29.6 PSI 19 19 A 24 GLN C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -75.6 -52.7 PHI 20 20 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 ASP N 1.0 -51.8 -25.5 PSI 21 21 A 25 LEU C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -75.2 -55.2 PHI 22 22 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 VAL N 1.0 -51.9 -31.2 PSI 23 23 A 26 ASP C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -75.3 -55.3 PHI 24 24 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 ASP N 1.0 -53.5 -32.3 PSI 25 25 A 27 VAL C A 28 ASP N A 28 ASP CA A 28 ASP C 1.0 -70.8 -50.8 PHI 26 26 A 28 ASP N A 28 ASP CA A 28 ASP C A 29 SER N 1.0 -54.8 -34.8 PSI 27 27 A 28 ASP C A 29 SER N A 29 SER CA A 29 SER C 1.0 -74.7 -54.7 PHI 28 28 A 29 SER N A 29 SER CA A 29 SER C A 30 HIS N 1.0 -52.3 -32.3 PSI 29 29 A 29 SER C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -76.3 -54.2 PHI 30 30 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 LEU N 1.0 -52.5 -32.5 PSI 31 31 A 30 HIS C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -69.2 -49.2 PHI 32 32 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ALA N 1.0 -70.4 -17.5 PSI 33 33 A 31 LEU C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -94.5 -37.9 PHI 34 34 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 GLN N 1.0 -59.7 -19.5 PSI 35 35 A 32 ALA C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -75.4 -55.4 PHI 36 36 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 CYS N 1.0 -49.3 -29.3 PSI 37 37 A 33 GLN C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -74.4 -54.4 PHI 38 38 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 LEU N 1.0 -55.0 -31.1 PSI 39 39 A 34 CYS C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -74.1 -54.1 PHI 40 40 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ALA N 1.0 -48.1 -28.1 PSI 41 41 A 35 LEU C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -84.6 -47.0 PHI 42 42 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 GLU N 1.0 -52.9 -32.9 PSI 43 43 A 36 ALA C A 37 GLU N A 37 GLU CA A 37 GLU C 1.0 -133.1 -54.0 PHI 44 44 A 37 GLU N A 37 GLU CA A 37 GLU C A 38 SER N 1.0 -43.0 34.4 PSI stop_ save_