data_nef_c16247_2khk save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 GLU middle . . 6 A 6 LYS middle . . 7 A 7 ARG middle . . 8 A 8 GLN middle . . 9 A 9 LYS middle . . 10 A 10 GLU middle . . 11 A 11 ILE middle . . 12 A 12 ALA middle . . 13 A 13 ASP middle . . 14 A 14 GLY middle . false 15 A 15 LEU middle . . 16 A 16 ALA middle . . 17 A 17 SER middle . . 18 A 18 ALA middle . . 19 A 19 GLU middle . . 20 A 20 ARG middle . . 21 A 21 ALA middle . . 22 A 22 HIS middle . . 23 A 23 LYS middle . . 24 A 24 ASP middle . . 25 A 25 LEU middle . . 26 A 26 ASP middle . . 27 A 27 LEU middle . . 28 A 28 ALA middle . . 29 A 29 LYS middle . . 30 A 30 ALA middle . . 31 A 31 SER middle . . 32 A 32 ALA middle . . 33 A 33 THR middle . . 34 A 34 ASP middle . . 35 A 35 GLN middle . . 36 A 36 LEU middle . . 37 A 37 LYS middle . . 38 A 38 LYS middle . . 39 A 39 ALA middle . . 40 A 40 LYS middle . . 41 A 41 ALA middle . . 42 A 42 GLU middle . . 43 A 43 ALA middle . . 44 A 44 GLN middle . . 45 A 45 VAL middle . . 46 A 46 ILE middle . . 47 A 47 ILE middle . . 48 A 48 GLU middle . . 49 A 49 GLN middle . . 50 A 50 ALA middle . . 51 A 51 ASN middle . . 52 A 52 LYS middle . . 53 A 53 ARG 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 1 MET H1 H 1 8.834 0.020 A 1 MET HA H 1 4.436 0.020 A 1 MET HB2 H 1 2.046 0.020 A 1 MET HB3 H 1 2.046 0.020 A 1 MET HG2 H 1 2.665 0.020 A 1 MET HG3 H 1 2.634 0.020 A 1 MET C C 13 176.416 0.400 A 1 MET CA C 13 55.617 0.400 A 1 MET CB C 13 32.89 0.400 A 1 MET N N 15 120.797 0.400 A 2 ALA H H 1 8.426 0.020 A 2 ALA HA H 1 4.303 0.020 A 2 ALA HB% H 1 1.459 0.020 A 2 ALA C C 13 178.047 0.400 A 2 ALA CA C 13 52.957 0.400 A 2 ALA CB C 13 19.097 0.400 A 2 ALA N N 15 125.346 0.400 A 3 ALA H H 1 8.424 0.020 A 3 ALA HA H 1 4.272 0.020 A 3 ALA HB% H 1 1.453 0.020 A 3 ALA C C 13 178.831 0.400 A 3 ALA CA C 13 53.277 0.400 A 3 ALA CB C 13 18.815 0.400 A 3 ALA N N 15 123.135 0.400 A 4 ILE H H 1 8.153 0.020 A 4 ILE HA H 1 4.057 0.020 A 4 ILE HB H 1 1.909 0.020 A 4 ILE HD1% H 1 0.943 0.020 A 4 ILE HG12 H 1 1.257 0.020 A 4 ILE HG13 H 1 1.257 0.020 A 4 ILE C C 13 174.367 0.400 A 4 ILE CA C 13 59.667 0.400 A 4 ILE CB C 13 35.772 0.400 A 4 ILE CD1 C 13 10.316 0.400 A 4 ILE CG1 C 13 25.21 0.400 A 4 ILE CG2 C 13 14.773 0.400 A 4 ILE N N 15 120.052 0.400 A 5 GLU H H 1 8.389 0.020 A 5 GLU HA H 1 4.242 0.020 A 5 GLU HB2 H 1 2.038 0.020 A 5 GLU HB3 H 1 2.038 0.020 A 5 GLU HG2 H 1 2.304 0.020 A 5 GLU HG3 H 1 2.304 0.020 A 5 GLU C C 13 177.454 0.400 A 5 GLU CA C 13 57.595 0.400 A 5 GLU CB C 13 29.925 0.400 A 5 GLU CG C 13 36.488 0.400 A 5 GLU N N 15 123.85 0.400 A 6 LYS H H 1 8.359 0.020 A 6 LYS HA H 1 4.232 0.020 A 6 LYS HB2 H 1 1.851 0.020 A 6 LYS HB3 H 1 1.715 0.020 A 6 LYS HD2 H 1 1.535 0.020 A 6 LYS HD3 H 1 1.535 0.020 A 6 LYS HE2 H 1 3.03 0.020 A 6 LYS HE3 H 1 3.03 0.020 A 6 LYS HG2 H 1 1.484 0.020 A 6 LYS HG3 H 1 1.484 0.020 A 6 LYS C C 13 178.454 0.400 A 6 LYS CA C 13 57.701 0.400 A 6 LYS CB C 13 32.786 0.400 A 6 LYS CD C 13 29.304 0.400 A 6 LYS CE C 13 42.143 0.400 A 6 LYS CG C 13 24.958 0.400 A 6 LYS N N 15 122.313 0.400 A 7 ARG H H 1 8.286 0.020 A 7 ARG HA H 1 4.302 0.020 A 7 ARG HB2 H 1 2.08 0.020 A 7 ARG HB3 H 1 1.94 0.020 A 7 ARG HG2 H 1 1.737 0.020 A 7 ARG HG3 H 1 1.737 0.020 A 7 ARG C C 13 177.255 0.400 A 7 ARG CA C 13 57.082 0.400 A 7 ARG CB C 13 30.301 0.400 A 7 ARG CD C 13 43.303 0.400 A 7 ARG CG C 13 27.206 0.400 A 7 ARG N N 15 121.287 0.400 A 8 GLN H H 1 8.441 0.020 A 8 GLN CA C 13 57.14 0.400 A 8 GLN CB C 13 30.176 0.400 A 8 GLN N N 15 120.311 0.400 A 9 LYS HA H 1 4.232 0.020 A 9 LYS HB2 H 1 1.877 0.020 A 9 LYS HB3 H 1 1.712 0.020 A 9 LYS HD2 H 1 1.535 0.020 A 9 LYS HD3 H 1 1.535 0.020 A 9 LYS HE2 H 1 3.051 0.020 A 9 LYS HE3 H 1 3.051 0.020 A 9 LYS HG2 H 1 1.493 0.020 A 9 LYS HG3 H 1 1.493 0.020 A 9 LYS CA C 13 57.82 0.400 A 9 LYS CB C 13 32.862 0.400 A 9 LYS CD C 13 28.824 0.400 A 9 LYS CE C 13 44.17 0.400 A 9 LYS CG C 13 23.596 0.400 A 10 GLU H H 1 8.354 0.020 A 10 GLU HA H 1 4.245 0.020 A 10 GLU HB2 H 1 2.302 0.020 A 10 GLU HB3 H 1 2.302 0.020 A 10 GLU HE2 H 1 2.727 0.020 A 10 GLU HG2 H 1 2.396 0.020 A 10 GLU HG3 H 1 2.396 0.020 A 10 GLU C C 13 178.22 0.400 A 10 GLU CA C 13 57.837 0.400 A 10 GLU CB C 13 29.839 0.400 A 10 GLU CG C 13 36.422 0.400 A 10 GLU N N 15 121.036 0.400 A 11 ILE H H 1 8.257 0.020 A 11 ILE HA H 1 4.025 0.020 A 11 ILE HB H 1 1.901 0.020 A 11 ILE HD1% H 1 0.93 0.020 A 11 ILE HG12 H 1 1.648 0.020 A 11 ILE HG13 H 1 1.192 0.020 A 11 ILE C C 13 177.395 0.400 A 11 ILE CA C 13 62.538 0.400 A 11 ILE CB C 13 38.434 0.400 A 11 ILE CD1 C 13 13.057 0.400 A 11 ILE CG1 C 13 27.98 0.400 A 11 ILE CG2 C 13 17.208 0.400 A 11 ILE N N 15 121.653 0.400 A 12 ALA H H 1 8.371 0.020 A 12 ALA HA H 1 4.26 0.020 A 12 ALA HB% H 1 1.485 0.020 A 12 ALA C C 13 178.875 0.400 A 12 ALA CA C 13 53.762 0.400 A 12 ALA CB C 13 18.717 0.400 A 12 ALA N N 15 126.518 0.400 A 13 ASP H H 1 8.608 0.020 A 13 ASP HA H 1 4.546 0.020 A 13 ASP HB2 H 1 2.74 0.020 A 13 ASP HB3 H 1 2.728 0.020 A 13 ASP C C 13 177.863 0.400 A 13 ASP CA C 13 55.465 0.400 A 13 ASP CB C 13 40.73 0.400 A 13 ASP N N 15 119.841 0.400 A 14 GLY H H 1 8.293 0.020 A 14 GLY HA2 H 1 3.998 0.020 A 14 GLY HA3 H 1 3.998 0.020 A 14 GLY C C 13 172.618 0.400 A 14 GLY CA C 13 43.412 0.400 A 14 GLY N N 15 109.075 0.020 A 15 LEU H H 1 8.119 0.020 A 15 LEU HA H 1 4.29 0.020 A 15 LEU HB2 H 1 1.721 0.020 A 15 LEU HB3 H 1 1.542 0.020 A 15 LEU HD1% H 1 0.946 0.020 A 15 LEU HD2% H 1 0.946 0.020 A 15 LEU HG H 1 1.645 0.020 A 15 LEU C C 13 178.215 0.400 A 15 LEU CA C 13 56.113 0.400 A 15 LEU CB C 13 42.109 0.400 A 15 LEU CD1 C 13 25.071 0.400 A 15 LEU CD2 C 13 23.397 0.400 A 15 LEU CG C 13 26.863 0.400 A 15 LEU N N 15 122.115 0.400 A 16 ALA H H 1 8.293 0.020 A 16 ALA HA H 1 4.315 0.020 A 16 ALA HB% H 1 1.462 0.020 A 16 ALA C C 13 178.847 0.400 A 16 ALA CA C 13 53.23 0.400 A 16 ALA CB C 13 18.769 0.400 A 16 ALA N N 15 123.673 0.400 A 17 SER H H 1 8.294 0.020 A 17 SER HA H 1 4.405 0.020 A 17 SER HB2 H 1 3.973 0.020 A 17 SER HB3 H 1 3.973 0.020 A 17 SER C C 13 175.446 0.400 A 17 SER CA C 13 59.398 0.400 A 17 SER CB C 13 63.46 0.400 A 17 SER N N 15 114.615 0.400 A 18 ALA H H 1 8.308 0.020 A 18 ALA HA H 1 4.325 0.020 A 18 ALA HB% H 1 1.492 0.020 A 18 ALA C C 13 178.476 0.400 A 18 ALA CA C 13 53.528 0.400 A 18 ALA CB C 13 18.753 0.400 A 18 ALA N N 15 125.71 0.400 A 19 GLU H H 1 8.29 0.020 A 19 GLU HA H 1 4.237 0.020 A 19 GLU HB2 H 1 2.358 0.020 A 19 GLU HB3 H 1 2.303 0.020 A 19 GLU HG2 H 1 2.347 0.020 A 19 GLU HG3 H 1 2.347 0.020 A 19 GLU C C 13 177.358 0.400 A 19 GLU CA C 13 57.447 0.400 A 19 GLU CB C 13 29.866 0.400 A 19 GLU CG C 13 36.326 0.400 A 19 GLU N N 15 119.387 0.400 A 20 ARG H H 1 8.214 0.020 A 20 ARG HA H 1 4.244 0.020 A 20 ARG HB2 H 1 1.85 0.020 A 20 ARG HB3 H 1 1.85 0.020 A 20 ARG HD2 H 1 3.205 0.020 A 20 ARG HD3 H 1 3.205 0.020 A 20 ARG HG2 H 1 1.695 0.020 A 20 ARG HG3 H 1 1.695 0.020 A 20 ARG C C 13 176.546 0.400 A 20 ARG CA C 13 56.895 0.400 A 20 ARG CB C 13 30.596 0.400 A 20 ARG CD C 13 43.361 0.400 A 20 ARG CG C 13 27.332 0.400 A 20 ARG N N 15 121.283 0.400 A 21 ALA H H 1 8.247 0.020 A 21 ALA HA H 1 4.279 0.020 A 21 ALA HB% H 1 1.422 0.020 A 21 ALA C C 13 178.212 0.400 A 21 ALA CA C 13 53.059 0.400 A 21 ALA CB C 13 18.827 0.400 A 21 ALA N N 15 123.697 0.400 A 22 HIS H H 1 8.352 0.020 A 22 HIS HA H 1 4.212 0.020 A 22 HIS HB2 H 1 3.232 0.020 A 22 HIS HB3 H 1 3.232 0.020 A 22 HIS C C 13 177.321 0.400 A 22 HIS CA C 13 56.652 0.400 A 22 HIS CB C 13 29.845 0.400 A 22 HIS N N 15 118.28 0.400 A 23 LYS H H 1 8.336 0.020 A 23 LYS HA H 1 4.294 0.020 A 23 LYS HB2 H 1 1.854 0.020 A 23 LYS HB3 H 1 1.854 0.020 A 23 LYS HD2 H 1 1.726 0.020 A 23 LYS HD3 H 1 1.726 0.020 A 23 LYS HE2 H 1 3.03 0.020 A 23 LYS HE3 H 1 3.03 0.020 A 23 LYS HG2 H 1 1.461 0.020 A 23 LYS HG3 H 1 1.461 0.020 A 23 LYS C C 13 176.7 0.400 A 23 LYS CA C 13 57 0.400 A 23 LYS CB C 13 32.797 0.400 A 23 LYS CD C 13 29.081 0.400 A 23 LYS CE C 13 42.095 0.400 A 23 LYS CG C 13 24.692 0.400 A 23 LYS N N 15 122.37 0.400 A 24 ASP H H 1 8.537 0.020 A 24 ASP HA H 1 4.581 0.020 A 24 ASP HB2 H 1 2.811 0.020 A 24 ASP HB3 H 1 2.693 0.020 A 24 ASP C C 13 176.941 0.400 A 24 ASP CA C 13 55.069 0.400 A 24 ASP CB C 13 40.789 0.400 A 24 ASP N N 15 121.152 0.400 A 25 LEU H H 1 8.215 0.020 A 25 LEU HA H 1 4.29 0.020 A 25 LEU HB2 H 1 1.688 0.020 A 25 LEU HB3 H 1 1.522 0.020 A 25 LEU HD1% H 1 0.954 0.020 A 25 LEU HD2% H 1 0.954 0.020 A 25 LEU CA C 13 56.176 0.400 A 25 LEU CB C 13 42.175 0.400 A 25 LEU CD1 C 13 24.901 0.400 A 25 LEU CD2 C 13 24.901 0.400 A 25 LEU CG C 13 27.114 0.400 A 25 LEU N N 15 122.648 0.400 A 26 ASP H H 1 8.363 0.020 A 26 ASP HA H 1 4.577 0.020 A 26 ASP HB2 H 1 2.776 0.020 A 26 ASP HB3 H 1 2.694 0.020 A 26 ASP C C 13 177.284 0.400 A 26 ASP CA C 13 54.971 0.400 A 26 ASP CB C 13 40.708 0.400 A 26 ASP N N 15 121.04 0.400 A 27 LEU H H 1 8.228 0.020 A 27 LEU HA H 1 4.309 0.020 A 27 LEU HB2 H 1 1.674 0.020 A 27 LEU HB3 H 1 1.674 0.020 A 27 LEU HD1% H 1 0.954 0.020 A 27 LEU HD2% H 1 0.954 0.020 A 27 LEU C C 13 178.228 0.400 A 27 LEU CA C 13 56.235 0.400 A 27 LEU CB C 13 42.08 0.400 A 27 LEU CD1 C 13 24.895 0.400 A 27 LEU CD2 C 13 23.429 0.400 A 27 LEU CG C 13 26.945 0.400 A 27 LEU N N 15 122.902 0.400 A 28 ALA H H 1 8.226 0.020 A 28 ALA HA H 1 4.313 0.020 A 28 ALA HB% H 1 1.497 0.020 A 28 ALA C C 13 178.768 0.400 A 28 ALA CA C 13 50.751 0.400 A 28 ALA CB C 13 15.973 0.400 A 28 ALA N N 15 123.394 0.400 A 29 LYS H H 1 8.105 0.020 A 29 LYS HA H 1 4.273 0.020 A 29 LYS HB2 H 1 1.894 0.020 A 29 LYS HB3 H 1 1.752 0.020 A 29 LYS HD2 H 1 1.726 0.020 A 29 LYS HD3 H 1 1.726 0.020 A 29 LYS HG2 H 1 1.547 0.020 A 29 LYS HG3 H 1 1.473 0.020 A 29 LYS C C 13 177.235 0.400 A 29 LYS CA C 13 56.975 0.400 A 29 LYS CB C 13 32.809 0.400 A 29 LYS CD C 13 29.076 0.400 A 29 LYS CE C 13 42.123 0.400 A 29 LYS CG C 13 24.911 0.400 A 29 LYS N N 15 119.798 0.400 A 30 ALA H H 1 8.256 0.020 A 30 ALA HA H 1 4.333 0.020 A 30 ALA HB% H 1 1.473 0.020 A 30 ALA C C 13 178.374 0.400 A 30 ALA CA C 13 53.121 0.400 A 30 ALA CB C 13 18.978 0.400 A 30 ALA N N 15 124.377 0.400 A 31 SER H H 1 8.404 0.020 A 31 SER HA H 1 4.484 0.020 A 31 SER HB2 H 1 3.973 0.020 A 31 SER HB3 H 1 3.967 0.020 A 31 SER C C 13 175.05 0.400 A 31 SER CA C 13 58.756 0.400 A 31 SER CB C 13 63.797 0.400 A 31 SER N N 15 114.933 0.400 A 32 ALA H H 1 8.419 0.020 A 32 ALA HA H 1 4.414 0.020 A 32 ALA HB% H 1 1.526 0.020 A 32 ALA C C 13 178.933 0.400 A 32 ALA CA C 13 53.555 0.400 A 32 ALA CB C 13 18.785 0.400 A 32 ALA N N 15 125.821 0.400 A 33 THR H H 1 8.216 0.020 A 33 THR HA H 1 4.364 0.020 A 33 THR HB H 1 4.27 0.020 A 33 THR HG2% H 1 1.272 0.020 A 33 THR C C 13 175.345 0.400 A 33 THR CA C 13 63.424 0.400 A 33 THR CB C 13 69.432 0.400 A 33 THR N N 15 112.98 0.400 A 34 ASP H H 1 8.332 0.020 A 34 ASP HA H 1 4.56 0.020 A 34 ASP HB2 H 1 2.74 0.020 A 34 ASP HB3 H 1 2.744 0.020 A 34 ASP C C 13 177.331 0.400 A 34 ASP CA C 13 55.611 0.400 A 34 ASP CB C 13 40.819 0.400 A 34 ASP N N 15 122.777 0.400 A 35 GLN H H 1 8.376 0.020 A 35 GLN HA H 1 4.225 0.020 A 35 GLN HB2 H 1 2.099 0.020 A 35 GLN HB3 H 1 2.099 0.020 A 35 GLN HG2 H 1 2.472 0.020 A 35 GLN HG3 H 1 2.472 0.020 A 35 GLN C C 13 177.216 0.400 A 35 GLN CA C 13 57.159 0.400 A 35 GLN CB C 13 28.84 0.400 A 35 GLN CG C 13 33.895 0.400 A 35 GLN N N 15 120.161 0.400 A 36 LEU H H 1 8.152 0.020 A 36 LEU HA H 1 4.325 0.020 A 36 LEU HB2 H 1 1.81 0.020 A 36 LEU HB3 H 1 1.73 0.020 A 36 LEU HD1% H 1 0.964 0.020 A 36 LEU HD2% H 1 0.964 0.020 A 36 LEU C C 13 178.245 0.400 A 36 LEU CA C 13 56.382 0.400 A 36 LEU CB C 13 41.952 0.400 A 36 LEU CD1 C 13 24.747 0.400 A 36 LEU CD2 C 13 23.556 0.400 A 36 LEU CG C 13 27.071 0.400 A 36 LEU N N 15 121.719 0.400 A 37 LYS H H 1 8.14 0.020 A 37 LYS HA H 1 4.245 0.020 A 37 LYS HB2 H 1 1.88 0.020 A 37 LYS HB3 H 1 1.741 0.020 A 37 LYS HD2 H 1 1.564 0.020 A 37 LYS HD3 H 1 1.564 0.020 A 37 LYS HE2 H 1 3.027 0.020 A 37 LYS HE3 H 1 3.027 0.020 A 37 LYS HG2 H 1 1.593 0.020 A 37 LYS HG3 H 1 1.481 0.020 A 37 LYS C C 13 177.582 0.400 A 37 LYS CA C 13 57.518 0.400 A 37 LYS CB C 13 32.662 0.400 A 37 LYS CD C 13 29.34 0.400 A 37 LYS CE C 13 42.14 0.400 A 37 LYS CG C 13 25.04 0.400 A 37 LYS N N 15 121.035 0.400 A 38 LYS H H 1 8.2 0.020 A 38 LYS HA H 1 4.259 0.020 A 38 LYS HB2 H 1 1.871 0.020 A 38 LYS HB3 H 1 1.725 0.020 A 38 LYS HD2 H 1 1.554 0.020 A 38 LYS HD3 H 1 1.554 0.020 A 38 LYS HE2 H 1 3.027 0.020 A 38 LYS HE3 H 1 3.027 0.020 A 38 LYS HG2 H 1 1.511 0.020 A 38 LYS HG3 H 1 1.464 0.020 A 38 LYS C C 13 177.094 0.400 A 38 LYS CA C 13 57.2 0.400 A 38 LYS CB C 13 32.881 0.400 A 38 LYS CD C 13 29.036 0.400 A 38 LYS CE C 13 42.075 0.400 A 38 LYS CG C 13 24.894 0.400 A 38 LYS N N 15 121.951 0.400 A 39 ALA H H 1 8.31 0.020 A 39 ALA HA H 1 4.297 0.020 A 39 ALA HB% H 1 1.507 0.020 A 39 ALA C C 13 178.705 0.400 A 39 ALA CA C 13 53.083 0.400 A 39 ALA CB C 13 18.859 0.400 A 39 ALA N N 15 124.85 0.400 A 40 LYS H H 1 8.322 0.020 A 40 LYS HA H 1 4.257 0.020 A 40 LYS HB2 H 1 1.864 0.020 A 40 LYS HB3 H 1 1.725 0.020 A 40 LYS HD2 H 1 1.756 0.020 A 40 LYS HD3 H 1 1.756 0.020 A 40 LYS HE2 H 1 3.018 0.020 A 40 LYS HE3 H 1 3.018 0.020 A 40 LYS HG2 H 1 1.561 0.020 A 40 LYS HG3 H 1 1.511 0.020 A 40 LYS C C 13 176.957 0.400 A 40 LYS CA C 13 57.048 0.400 A 40 LYS CB C 13 32.89 0.400 A 40 LYS CD C 13 29.049 0.400 A 40 LYS CE C 13 42.125 0.400 A 40 LYS CG C 13 24.917 0.400 A 40 LYS N N 15 120.538 0.400 A 41 ALA H H 1 8.292 0.020 A 41 ALA HA H 1 4.328 0.020 A 41 ALA HB% H 1 1.468 0.020 A 41 ALA C C 13 178.535 0.400 A 41 ALA CA C 13 53.106 0.400 A 41 ALA CB C 13 18.889 0.400 A 41 ALA N N 15 124.385 0.400 A 42 GLU H H 1 8.441 0.020 A 42 GLU HA H 1 4.275 0.020 A 42 GLU HB2 H 1 2.099 0.020 A 42 GLU HB3 H 1 1.998 0.020 A 42 GLU HG2 H 1 2.411 0.020 A 42 GLU HG3 H 1 2.411 0.020 A 42 GLU C C 13 176.846 0.400 A 42 GLU CA C 13 57.031 0.400 A 42 GLU CB C 13 30.151 0.400 A 42 GLU CG C 13 36.393 0.400 A 42 GLU N N 15 120.022 0.400 A 43 ALA H H 1 8.276 0.020 A 43 ALA HA H 1 4.306 0.020 A 43 ALA HB% H 1 1.473 0.020 A 43 ALA C C 13 178.055 0.400 A 43 ALA CA C 13 52.974 0.400 A 43 ALA CB C 13 18.903 0.400 A 43 ALA N N 15 124.119 0.400 A 44 GLN H H 1 8.312 0.020 A 44 GLN HA H 1 4.31 0.020 A 44 GLN HB2 H 1 2.06 0.020 A 44 GLN HB3 H 1 2.06 0.020 A 44 GLN HG2 H 1 2.407 0.020 A 44 GLN HG3 H 1 2.407 0.020 A 44 GLN C C 13 176.174 0.400 A 44 GLN CA C 13 56.154 0.400 A 44 GLN CB C 13 29.285 0.400 A 44 GLN CG C 13 33.79 0.400 A 44 GLN N N 15 119.573 0.400 A 45 VAL H H 1 8.206 0.020 A 45 VAL HA H 1 4.36 0.020 A 45 VAL HB H 1 2.084 0.020 A 45 VAL HG1% H 1 0.982 0.020 A 45 VAL C C 13 176.263 0.400 A 45 VAL CA C 13 63.12 0.400 A 45 VAL CB C 13 32.386 0.400 A 45 VAL CG1 C 13 21.116 0.400 A 45 VAL CG2 C 13 21.116 0.400 A 45 VAL N N 15 122.385 0.400 A 46 ILE H H 1 8.045 0.020 A 46 ILE HA H 1 4.138 0.020 A 46 ILE HB H 1 1.885 0.020 A 46 ILE HD1% H 1 0.936 0.020 A 46 ILE HG12 H 1 1.505 0.020 A 46 ILE HG13 H 1 1.505 0.020 A 46 ILE C C 13 176.573 0.400 A 46 ILE CA C 13 61.413 0.400 A 46 ILE CB C 13 38.356 0.400 A 46 ILE CD1 C 13 12.542 0.400 A 46 ILE CG1 C 13 27.539 0.400 A 46 ILE CG2 C 13 17.412 0.400 A 46 ILE N N 15 125.491 0.400 A 47 ILE H H 1 8.332 0.020 A 47 ILE HA H 1 4.177 0.020 A 47 ILE HB H 1 1.916 0.020 A 47 ILE HD1% H 1 0.962 0.020 A 47 ILE HG12 H 1 1.25 0.020 A 47 ILE HG13 H 1 1.25 0.020 A 47 ILE C C 13 176.554 0.400 A 47 ILE CA C 13 61.374 0.400 A 47 ILE CB C 13 38.377 0.400 A 47 ILE CD1 C 13 12.614 0.400 A 47 ILE CG1 C 13 27.503 0.400 A 47 ILE CG2 C 13 17.367 0.400 A 47 ILE N N 15 126.147 0.400 A 48 GLU H H 1 8.587 0.020 A 48 GLU HA H 1 4.141 0.020 A 48 GLU HB2 H 1 2.352 0.020 A 48 GLU HB3 H 1 2.288 0.020 A 48 GLU C C 13 176.29 0.400 A 48 GLU CA C 13 56.867 0.400 A 48 GLU CB C 13 30.16 0.400 A 48 GLU CG C 13 36.339 0.400 A 48 GLU N N 15 125.278 0.400 A 49 GLN H H 1 8.521 0.020 A 49 GLN HA H 1 4.313 0.020 A 49 GLN HB2 H 1 2.036 0.020 A 49 GLN HB3 H 1 2.036 0.020 A 49 GLN HG2 H 1 2.442 0.020 A 49 GLN HG3 H 1 2.442 0.020 A 49 GLN C C 13 175.798 0.400 A 49 GLN CA C 13 55.936 0.400 A 49 GLN CB C 13 29.328 0.400 A 49 GLN CG C 13 33.808 0.400 A 49 GLN N N 15 125.675 0.400 A 50 ALA H H 1 8.414 0.020 A 50 ALA HA H 1 4.356 0.020 A 50 ALA HB% H 1 1.425 0.020 A 50 ALA C C 13 177.553 0.400 A 50 ALA CA C 13 52.833 0.400 A 50 ALA CB C 13 19.162 0.400 A 50 ALA N N 15 124.988 0.400 A 51 ASN H H 1 8.467 0.020 A 51 ASN HA H 1 4.738 0.020 A 51 ASN HB2 H 1 2.776 0.020 A 51 ASN HB3 H 1 2.878 0.020 A 51 ASN C C 13 174.232 0.400 A 51 ASN CA C 13 53.358 0.400 A 51 ASN CB C 13 38.847 0.400 A 51 ASN N N 15 118.053 0.400 A 52 LYS H H 1 7.943 0.020 A 52 LYS HA H 1 4.195 0.020 A 52 LYS HD2 H 1 1.767 0.020 A 52 LYS HD3 H 1 1.767 0.020 A 52 LYS HG2 H 1 1.423 0.020 A 52 LYS HG3 H 1 1.423 0.020 A 52 LYS CA C 13 57.852 0.400 A 52 LYS CB C 13 33.585 0.400 A 52 LYS N N 15 126.444 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _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 14 GLY H A 13 ASP HB2 1.0 . 4.84 2 2 A 14 GLY H A 13 ASP HB3 1.0 . 4.84 3 3 A 32 ALA HB% A 33 THR H 1.0 . 4.27 4 4 A 2 ALA H A 2 ALA HB% 1.0 . 4.10 5 5 A 2 ALA H A 1 MET HB2 1.0 . 5.03 6 6 A 2 ALA H A 1 MET HB3 1.0 . 5.03 7 7 A 2 ALA H A 1 MET HG2 1.0 . 5.50 8 8 A 2 ALA H A 1 MET HG3 1.0 . 5.50 9 9 A 3 ALA HB% A 4 ILE H 1.0 . 3.83 10 10 A 4 ILE H A 4 ILE HB 1.0 . 3.63 11 11 A 4 ILE H A 4 ILE HD1% 1.0 . 3.98 12 12 A 4 ILE HD1% A 5 GLU H 1.0 . 4.26 13 13 A 4 ILE HB A 5 GLU H 1.0 . 4.18 14 14 A 3 ALA HB% A 3 ALA H 1.0 . 3.81 15 15 A 11 ILE H A 11 ILE HD1% 1.0 . 3.77 16 16 A 11 ILE H A 11 ILE HG12 1.0 . 4.11 17 17 A 11 ILE H A 11 ILE HB 1.0 . 3.74 18 18 A 11 ILE H A 11 ILE HG13 1.0 . 4.11 19 19 A 10 GLU H A 10 GLU HG2 1.0 . 5.50 20 20 A 10 GLU H A 10 GLU HG3 1.0 . 5.50 21 21 A 11 ILE HD1% A 12 ALA H 1.0 . 4.23 22 22 A 46 ILE HG21 A 47 ILE H 1.0 . 5.50 23 23 A 12 ALA H A 12 ALA HB% 1.0 . 3.70 24 24 A 12 ALA HB% A 13 ASP H 1.0 . 4.00 25 25 A 16 ALA H A 16 ALA HB% 1.0 . 3.53 26 26 A 21 ALA H A 21 ALA HB% 1.0 . 3.79 27 27 A 16 ALA HB% A 17 SER H 1.0 . 4.05 28 28 A 18 ALA HB% A 19 GLU H 1.0 . 3.87 29 29 A 25 LEU H A 24 ASP HB3 1.0 . 4.48 30 30 A 27 LEU H A 26 ASP HB3 1.0 . 4.75 31 31 A 25 LEU H A 24 ASP HB2 1.0 . 4.48 32 32 A 6 LYS HA A 7 ARG H 1.0 . 3.43 33 33 A 7 ARG H A 6 LYS HG2 1.0 . 5.19 34 33 A 7 ARG H A 6 LYS HG3 1.0 . 5.19 35 34 A 26 ASP H A 26 ASP HB2 1.0 . 4.16 36 35 A 26 ASP H A 26 ASP HB3 1.0 . 4.16 37 36 A 27 LEU H A 26 ASP HB2 1.0 . 4.75 38 37 A 28 ALA H A 28 ALA HB% 1.0 . 3.55 39 38 A 30 ALA HB% A 31 SER H 1.0 . 4.35 40 39 A 31 SER HB3 A 32 ALA H 1.0 . 5.50 41 40 A 32 ALA H A 31 SER HB2 1.0 . 5.50 42 41 A 33 THR H A 33 THR HB 1.0 . 3.79 43 42 A 35 GLN H A 34 ASP HB2 1.0 . 4.75 44 43 A 35 GLN H A 34 ASP HB3 1.0 . 4.75 45 44 A 36 LEU H A 36 LEU HB3 1.0 . 4.05 46 45 A 36 LEU H A 36 LEU HB2 1.0 . 4.05 47 46 A 37 LYS H A 36 LEU HB2 1.0 . 4.45 48 47 A 37 LYS H A 37 LYS HB3 1.0 . 4.18 49 48 A 37 LYS H A 36 LEU HB3 1.0 . 4.45 50 49 A 37 LYS H A 37 LYS HB2 1.0 . 4.18 51 50 A 37 LYS H A 37 LYS HG3 1.0 . 4.76 52 51 A 37 LYS H A 37 LYS HG2 1.0 . 4.76 53 52 A 39 ALA HB% A 40 LYS H 1.0 . 3.84 54 53 A 40 LYS H A 40 LYS HG3 1.0 . 4.40 55 54 A 40 LYS H A 40 LYS HG2 1.0 . 4.40 56 55 A 46 ILE H A 46 ILE HB 1.0 . 4.00 57 56 A 47 ILE H A 46 ILE HB 1.0 . 4.43 58 57 A 47 ILE H A 47 ILE HG12 1.0 . 5.50 59 58 A 46 ILE HG21 A 46 ILE H 1.0 . 5.11 60 59 A 46 ILE H A 46 ILE HD1% 1.0 . 4.64 61 60 A 11 ILE HB A 12 ALA H 1.0 . 4.31 62 61 A 47 ILE H A 47 ILE HG21 1.0 . 5.06 63 62 A 47 ILE H A 47 ILE HG13 1.0 . 5.50 64 63 A 47 ILE H A 46 ILE HD1% 1.0 . 5.15 65 64 A 50 ALA HB% A 51 ASN H 1.0 . 5.50 66 65 A 14 GLY H A 12 ALA HA 1.0 . 5.06 67 66 A 14 GLY H A 15 LEU HA 1.0 . 5.50 68 67 A 18 ALA H A 19 GLU HA 1.0 . 5.08 69 68 A 27 LEU H A 24 ASP HA 1.0 . 4.18 70 69 A 28 ALA HB% A 29 LYS H 1.0 . 3.80 71 70 A 30 ALA HB% A 30 ALA H 1.0 . 3.84 72 71 A 39 ALA HB% A 39 ALA H 1.0 . 3.87 73 72 A 31 SER HA A 34 ASP H 1.0 . 5.11 74 73 A 35 GLN H A 31 SER HA 1.0 . 4.86 75 74 A 14 GLY H A 15 LEU H 1.0 . 3.89 76 75 A 14 GLY H A 13 ASP H 1.0 . 4.65 77 76 A 1 MET H1 A 1 MET HG2 1.0 . 5.50 78 77 A 1 MET H1 A 1 MET HG3 1.0 . 5.50 79 78 A 2 ALA H A 1 MET H1 1.0 . 5.50 80 79 A 4 ILE H A 5 GLU H 1.0 . 3.85 81 80 A 21 ALA HB% A 22 HIS H 1.0 . 5.06 82 81 A 22 HIS HB2 A 23 LYS H 1.0 . 5.50 83 82 A 23 LYS H A 22 HIS HB3 1.0 . 5.50 84 83 A 36 LEU H A 35 GLN HB2 1.0 . 4.85 85 84 A 36 LEU H A 35 GLN HB3 1.0 . 4.85 86 85 A 38 LYS H A 37 LYS HG2 1.0 . 5.21 87 86 A 27 LEU H A 27 LEU HB2 1.0 . 3.84 88 86 A 27 LEU H A 27 LEU HB3 1.0 . 3.84 89 87 A 38 LYS H A 37 LYS HG3 1.0 . 5.21 90 88 A 39 ALA HB% A 38 LYS H 1.0 . 5.21 91 89 A 7 ARG HA A 8 GLN H 1.0 . 3.50 92 90 A 41 ALA HB% A 42 GLU H 1.0 . 4.04 93 91 A 42 GLU H A 42 GLU HB3 1.0 . 3.84 94 92 A 42 GLU H A 42 GLU HB2 1.0 . 3.84 95 93 A 45 VAL H A 45 VAL HB 1.0 . 3.98 96 94 A 46 ILE H A 45 VAL HB 1.0 . 4.99 97 95 A 47 ILE H A 47 ILE HD1% 1.0 . 5.21 98 96 A 18 ALA HB% A 18 ALA H 1.0 . 3.88 99 97 A 12 ALA H A 13 ASP H 1.0 . 4.54 100 98 A 25 LEU H A 24 ASP H 1.0 . 5.11 101 99 A 35 GLN H A 36 LEU H 1.0 . 4.45 102 100 A 5 GLU H A 3 ALA HA 1.0 . 4.53 103 101 A 47 ILE HA A 48 GLU H 1.0 . 3.55 104 102 A 48 GLU H A 47 ILE HB 1.0 . 4.02 105 103 A 47 ILE HD1% A 48 GLU H 1.0 . 4.08 106 104 A 47 ILE HG21 A 48 GLU H 1.0 . 5.50 107 105 A 47 ILE HG13 A 48 GLU H 1.0 . 5.50 108 106 A 47 ILE HG12 A 48 GLU H 1.0 . 5.50 109 107 A 33 THR H A 33 THR HG2% 1.0 . 4.58 110 108 A 34 ASP H A 33 THR HG2% 1.0 . 5.02 111 109 A 28 ALA H A 24 ASP HA 1.0 . 5.13 112 110 A 1 MET H1 A 1 MET HB2 1.0 . 3.69 113 110 A 1 MET H1 A 1 MET HB3 1.0 . 3.69 114 111 A 1 MET H1 A 1 MET HG2 1.0 . 4.78 115 111 A 1 MET H1 A 1 MET HG3 1.0 . 4.78 116 112 A 2 ALA H A 1 MET HB2 1.0 . 4.30 117 112 A 2 ALA H A 1 MET HB3 1.0 . 4.30 118 113 A 4 ILE H A 4 ILE HG12 1.0 . 4.49 119 113 A 4 ILE H A 4 ILE HG13 1.0 . 4.49 120 114 A 5 GLU H A 5 GLU HB2 1.0 . 3.43 121 114 A 5 GLU H A 5 GLU HB3 1.0 . 3.43 122 115 A 5 GLU H A 5 GLU HG2 1.0 . 4.43 123 115 A 5 GLU H A 5 GLU HG3 1.0 . 4.43 124 116 A 6 LYS H A 6 LYS HB2 1.0 . 3.56 125 116 A 6 LYS H A 6 LYS HB3 1.0 . 3.56 126 117 A 7 ARG H A 7 ARG HB2 1.0 . 3.69 127 117 A 7 ARG H A 7 ARG HB3 1.0 . 3.69 128 118 A 7 ARG H A 7 ARG HG2 1.0 . 4.46 129 118 A 7 ARG H A 7 ARG HG3 1.0 . 4.46 130 119 A 10 GLU H A 9 LYS HD2 1.0 . 4.91 131 119 A 10 GLU H A 9 LYS HD3 1.0 . 4.91 132 120 A 10 GLU H A 10 GLU HG2 1.0 . 4.82 133 120 A 10 GLU H A 10 GLU HG3 1.0 . 4.82 134 121 A 11 ILE H A 11 ILE HG13 1.0 . 3.56 135 121 A 11 ILE H A 11 ILE HG12 1.0 . 3.56 136 122 A 12 ALA H A 11 ILE HG13 1.0 . 5.34 137 122 A 12 ALA H A 11 ILE HG12 1.0 . 5.34 138 123 A 13 ASP H A 13 ASP HB3 1.0 . 3.61 139 123 A 13 ASP H A 13 ASP HB2 1.0 . 3.61 140 124 A 14 GLY H A 13 ASP HB3 1.0 . 4.13 141 124 A 14 GLY H A 13 ASP HB2 1.0 . 4.13 142 125 A 15 LEU H A 15 LEU HB2 1.0 . 3.40 143 125 A 15 LEU H A 15 LEU HB3 1.0 . 3.40 144 126 A 15 LEU H A 15 LEU HD1% 1.0 . 4.53 145 126 A 15 LEU H A 15 LEU HD2% 1.0 . 4.53 146 127 A 16 ALA H A 15 LEU HB2 1.0 . 4.14 147 127 A 16 ALA H A 15 LEU HB3 1.0 . 4.14 148 128 A 16 ALA H A 15 LEU HD1% 1.0 . 4.62 149 128 A 16 ALA H A 15 LEU HD2% 1.0 . 4.62 150 129 A 17 SER H A 17 SER HB2 1.0 . 3.67 151 129 A 17 SER H A 17 SER HB3 1.0 . 3.67 152 130 A 24 ASP H A 24 ASP HB3 1.0 . 3.59 153 130 A 24 ASP H A 24 ASP HB2 1.0 . 3.59 154 131 A 25 LEU H A 25 LEU HB2 1.0 . 3.05 155 131 A 25 LEU H A 25 LEU HB3 1.0 . 3.05 156 132 A 25 LEU H A 25 LEU HD1% 1.0 . 4.91 157 132 A 25 LEU H A 25 LEU HD2% 1.0 . 4.91 158 133 A 26 ASP H A 25 LEU HD1% 1.0 . 4.47 159 133 A 26 ASP H A 25 LEU HD2% 1.0 . 4.47 160 134 A 26 ASP H A 26 ASP HB3 1.0 . 3.36 161 134 A 26 ASP H A 26 ASP HB2 1.0 . 3.36 162 135 A 27 LEU H A 26 ASP HB3 1.0 . 4.18 163 135 A 27 LEU H A 26 ASP HB2 1.0 . 4.18 164 136 A 27 LEU H A 27 LEU HD1% 1.0 . 5.11 165 136 A 27 LEU H A 27 LEU HD2% 1.0 . 5.11 166 137 A 28 ALA H A 27 LEU HD1% 1.0 . 4.62 167 137 A 28 ALA H A 27 LEU HD2% 1.0 . 4.62 168 138 A 29 LYS H A 29 LYS HB2 1.0 . 3.59 169 138 A 29 LYS H A 29 LYS HB3 1.0 . 3.59 170 139 A 29 LYS H A 29 LYS HG2 1.0 . 3.97 171 139 A 29 LYS H A 29 LYS HG3 1.0 . 3.97 172 140 A 29 LYS H A 29 LYS HD2 1.0 . 5.30 173 140 A 29 LYS H A 29 LYS HD3 1.0 . 5.30 174 141 A 34 ASP H A 34 ASP HB3 1.0 . 3.57 175 141 A 34 ASP H A 34 ASP HB2 1.0 . 3.57 176 142 A 35 GLN H A 34 ASP HB3 1.0 . 4.08 177 142 A 35 GLN H A 34 ASP HB2 1.0 . 4.08 178 143 A 35 GLN H A 35 GLN HB3 1.0 . 3.52 179 143 A 35 GLN H A 35 GLN HB2 1.0 . 3.52 180 144 A 35 GLN H A 35 GLN HG2 1.0 . 4.46 181 144 A 35 GLN H A 35 GLN HG3 1.0 . 4.46 182 145 A 36 LEU H A 35 GLN HB3 1.0 . 4.16 183 145 A 36 LEU H A 35 GLN HB2 1.0 . 4.16 184 146 A 36 LEU H A 35 GLN HG2 1.0 . 4.85 185 146 A 36 LEU H A 35 GLN HG3 1.0 . 4.85 186 147 A 36 LEU H A 36 LEU HD1% 1.0 . 4.99 187 147 A 36 LEU H A 36 LEU HD2% 1.0 . 4.99 188 148 A 37 LYS H A 36 LEU HB3 1.0 . 3.72 189 148 A 37 LYS H A 36 LEU HB2 1.0 . 3.72 190 149 A 37 LYS H A 37 LYS HB3 1.0 . 3.53 191 149 A 37 LYS H A 37 LYS HB2 1.0 . 3.53 192 150 A 37 LYS H A 37 LYS HG3 1.0 . 4.05 193 150 A 37 LYS H A 37 LYS HG2 1.0 . 4.05 194 151 A 37 LYS H A 37 LYS HD2 1.0 . 4.22 195 151 A 37 LYS H A 37 LYS HD3 1.0 . 4.22 196 152 A 38 LYS H A 38 LYS HB2 1.0 . 3.59 197 152 A 38 LYS H A 38 LYS HB3 1.0 . 3.59 198 153 A 38 LYS H A 38 LYS HG2 1.0 . 4.47 199 153 A 38 LYS H A 38 LYS HG3 1.0 . 4.47 200 154 A 40 LYS H A 40 LYS HB2 1.0 . 3.47 201 154 A 40 LYS H A 40 LYS HB3 1.0 . 3.47 202 155 A 40 LYS H A 40 LYS HD2 1.0 . 5.30 203 155 A 40 LYS H A 40 LYS HD3 1.0 . 5.30 204 156 A 40 LYS H A 40 LYS HE2 1.0 . 5.33 205 156 A 40 LYS H A 40 LYS HE3 1.0 . 5.33 206 157 A 41 ALA H A 40 LYS HD2 1.0 . 4.70 207 157 A 40 LYS HD3 A 41 ALA H 1.0 . 4.70 208 158 A 41 ALA H A 40 LYS HE2 1.0 . 5.34 209 158 A 40 LYS HE3 A 41 ALA H 1.0 . 5.34 210 159 A 42 GLU H A 42 GLU HB3 1.0 . 3.36 211 159 A 42 GLU H A 42 GLU HB2 1.0 . 3.36 212 160 A 46 ILE H A 46 ILE HG12 1.0 . 4.43 213 160 A 46 ILE H A 46 ILE HG13 1.0 . 4.43 214 161 A 52 LYS H A 52 LYS HG2 1.0 . 4.90 215 161 A 52 LYS H A 52 LYS HG3 1.0 . 4.90 216 162 A 52 LYS H A 52 LYS HD2 1.0 . 4.82 217 162 A 52 LYS H A 52 LYS HD3 1.0 . 4.82 stop_ save_ save_DYANA/DIANA_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_5 _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 ALA N A 2 ALA CA A 2 ALA C 1.0 -180.00 -30.00 PHI 2 2 A 2 ALA C A 3 ALA N A 3 ALA CA A 3 ALA C 1.0 -180.00 -30.00 PHI 3 3 A 3 ALA C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -180.00 -30.00 PHI 4 4 A 4 ILE C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -180.00 -30.00 PHI 5 5 A 5 GLU C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -180.00 -30.00 PHI 6 6 A 6 LYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -180.00 -30.00 PHI 7 7 A 7 ARG C A 8 GLN N A 8 GLN CA A 8 GLN C 1.0 -180.00 -30.00 PHI 8 8 A 8 GLN C A 9 LYS N A 9 LYS CA A 9 LYS C 1.0 -180.00 -30.00 PHI 9 9 A 9 LYS C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -97.10 -37.10 PHI 10 10 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ILE N 1.0 -73.81 -13.81 PSI 11 11 A 10 GLU C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -99.91 -39.91 PHI 12 12 A 11 ILE N A 11 ILE CA A 11 ILE C A 12 ALA N 1.0 -74.33 -4.33 PSI 13 13 A 11 ILE C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -93.09 -33.09 PHI 14 14 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 ASP N 1.0 -69.26 -9.26 PSI 15 15 A 12 ALA C A 13 ASP N A 13 ASP CA A 13 ASP C 1.0 -104.24 -44.24 PHI 16 16 A 13 ASP N A 13 ASP CA A 13 ASP C A 14 GLY N 1.0 -56.57 4.57 PSI 17 17 A 13 ASP C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 112.00 412.00 PHI 18 18 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 LEU N 1.0 -30.96 29.04 PSI 19 19 A 14 GLY C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -98.52 -38.52 PHI 20 20 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 ALA N 1.0 -60.53 -0.53 PSI 21 21 A 15 LEU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -93.34 -33.34 PHI 22 22 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 SER N 1.0 -67.73 -7.73 PSI 23 23 A 16 ALA C A 17 SER N A 17 SER CA A 17 SER C 1.0 -99.72 -39.72 PHI 24 24 A 17 SER N A 17 SER CA A 17 SER C A 18 ALA N 1.0 -59.41 0.59 PSI 25 25 A 17 SER C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -103.16 -43.16 PHI 26 26 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLU N 1.0 -54.38 5.38 PSI 27 27 A 18 ALA C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -103.45 -33.45 PHI 28 28 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ARG N 1.0 -57.24 3.24 PSI 29 29 A 19 GLU C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -101.96 -41.96 PHI 30 30 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -56.10 4.10 PSI 31 31 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -95.98 -35.98 PHI 32 32 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -72.60 -12.60 PHI 33 33 A 21 ALA C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -95.08 -35.08 PHI 34 34 A 21 ALA C A 22 HIS N A 22 HIS CA A 22 HIS C 1.0 -63.50 -3.50 PHI 35 35 A 22 HIS C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -97.25 -37.25 PHI 36 36 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ASP N 1.0 -65.85 -5.85 PSI 37 37 A 23 LYS C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -103.50 -43.50 PHI 38 38 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 LEU N 1.0 -58.23 2.23 PSI 39 39 A 24 ASP C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -102.25 -42.25 PHI 40 40 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 ASP N 1.0 -54.02 6.02 PSI 41 41 A 25 LEU C A 26 ASP N A 26 ASP CA A 26 ASP C 1.0 -99.21 -39.21 PHI 42 42 A 26 ASP N A 26 ASP CA A 26 ASP C A 27 LEU N 1.0 -66.45 -6.45 PSI 43 43 A 26 ASP C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -94.16 -34.16 PHI 44 44 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 ALA N 1.0 -65.75 -5.75 PSI 45 45 A 27 LEU C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -98.65 -38.65 PHI 46 46 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 LYS N 1.0 -60.92 -0.92 PSI 47 47 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -102.23 -42.23 PHI 48 48 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ALA N 1.0 -55.27 5.27 PSI 49 49 A 29 LYS C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -103.08 -33.08 PHI 50 50 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 SER N 1.0 -52.43 8.43 PSI 51 51 A 30 ALA C A 31 SER N A 31 SER CA A 31 SER C 1.0 -97.10 -37.10 PHI 52 52 A 31 SER N A 31 SER CA A 31 SER C A 32 ALA N 1.0 -72.03 -12.03 PSI 53 53 A 31 SER C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -98.36 -38.36 PHI 54 54 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 THR N 1.0 -69.41 -9.41 PSI 55 55 A 32 ALA C A 33 THR N A 33 THR CA A 33 THR C 1.0 -100.66 -40.66 PHI 56 56 A 33 THR N A 33 THR CA A 33 THR C A 34 ASP N 1.0 -65.99 -5.99 PSI 57 57 A 33 THR C A 34 ASP N A 34 ASP CA A 34 ASP C 1.0 -93.78 -33.78 PHI 58 58 A 34 ASP N A 34 ASP CA A 34 ASP C A 35 GLN N 1.0 -69.09 -9.09 PSI 59 59 A 34 ASP C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -95.26 -35.26 PHI 60 60 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 LEU N 1.0 -68.48 -8.48 PSI 61 61 A 35 GLN C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -96.62 -36.62 PHI 62 62 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 LYS N 1.0 -63.38 -3.38 PSI 63 63 A 36 LEU C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -96.58 -36.58 PHI 64 64 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LYS N 1.0 -60.56 0.56 PSI 65 65 A 37 LYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -96.12 -36.12 PHI 66 66 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 ALA N 1.0 -67.06 -7.06 PSI 67 67 A 38 LYS C A 39 ALA N A 39 ALA CA A 39 ALA C 1.0 -103.94 -43.94 PHI 68 68 A 39 ALA N A 39 ALA CA A 39 ALA C A 40 LYS N 1.0 -54.25 6.25 PSI 69 69 A 39 ALA C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -97.47 -37.47 PHI 70 70 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ALA N 1.0 -60.90 -0.90 PSI 71 71 A 40 LYS C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -102.68 -42.68 PHI 72 72 A 40 LYS C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -54.19 6.19 PHI 73 73 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 ALA N 1.0 -106.12 -36.12 PSI 74 74 A 42 GLU N A 42 GLU CA A 42 GLU C A 43 ALA N 1.0 -57.10 3.90 PSI 75 75 A 42 GLU C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -110.46 -50.46 PHI 76 76 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 GLN N 1.0 -34.41 15.59 PSI 77 77 A 43 ALA C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -180.00 -30.00 PHI 78 78 A 44 GLN C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -180.00 -30.00 PHI 79 79 A 45 VAL C A 46 ILE N A 46 ILE CA A 46 ILE C 1.0 -180.00 -30.00 PHI 80 80 A 46 ILE C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -180.00 -30.00 PHI 81 81 A 47 ILE C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -180.00 -30.00 PHI 82 82 A 48 GLU C A 49 GLN N A 49 GLN CA A 49 GLN C 1.0 -180.00 -30.00 PHI 83 83 A 49 GLN C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -180.00 -30.00 PHI 84 84 A 50 ALA C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -180.00 -30.00 PHI 85 85 A 51 ASN C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -180.00 -30.00 PHI stop_ save_