data_nef_c17915_2lj3 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 1SHG BMRB 3433 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 62 ASP C 1 63 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ASP middle . . 3 A 3 GLU middle . . 4 A 4 THR middle . . 5 A 5 GLY middle . false 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 LEU middle . . 9 A 9 VAL middle . . 10 A 10 LEU middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 TYR middle . . 14 A 14 ASP middle . . 15 A 15 TYR middle . . 16 A 16 GLN middle . . 17 A 17 GLU middle . . 18 A 18 LYS middle . . 19 A 19 SER middle . . 20 A 20 PRO middle . false 21 A 21 ARG middle . . 22 A 22 GLU middle . . 23 A 23 VAL middle . . 24 A 24 THR middle . . 25 A 25 MET middle . . 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 ILE middle . . 31 A 31 LEU middle . . 32 A 32 THR middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 ASN middle . . 36 A 36 SER middle . . 37 A 37 THR middle . . 38 A 38 ASN middle . . 39 A 39 LYS middle . . 40 A 40 ASP middle . . 41 A 41 TRP middle . . 42 A 42 TRP middle . . 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 GLU middle . . 46 A 46 VAL middle . . 47 A 47 ASN middle . . 48 A 48 ASP middle . . 49 A 49 ARG middle . . 50 A 50 GLN middle . . 51 A 51 GLY middle . false 52 A 52 PHE middle . . 53 A 53 VAL middle . . 54 A 54 PRO middle . false 55 A 55 ALA middle . . 56 A 56 ALA middle . . 57 A 57 TYR middle . . 58 A 58 VAL middle . . 59 A 59 LYS middle . . 60 A 60 LYS middle . . 61 A 61 LEU middle . . 62 A 62 ASP middle . . 63 A 90 NH2 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 2 ASP H H 1 8.738 0.02 A 2 ASP C C 13 175.703 0.30 A 2 ASP CA C 13 54.041 0.30 A 2 ASP N N 15 123.22 0.30 A 3 GLU H H 1 8.57 0.02 A 3 GLU C C 13 176.48 0.30 A 3 GLU CA C 13 56.128 0.30 A 3 GLU N N 15 121.895 0.30 A 4 THR H H 1 8.176 0.02 A 4 THR C C 13 175.417 0.30 A 4 THR CA C 13 62.685 0.30 A 4 THR N N 15 114.607 0.30 A 5 GLY H H 1 8.344 0.02 A 5 GLY C C 13 173.777 0.30 A 5 GLY CA C 13 45.56 0.30 A 5 GLY N N 15 111.43 0.30 A 6 LYS H H 1 7.903 0.02 A 6 LYS C C 13 176.049 0.30 A 6 LYS CA C 13 55.914 0.30 A 6 LYS N N 15 119.85 0.30 A 7 GLU H H 1 8.562 0.02 A 7 GLU C C 13 174.172 0.30 A 7 GLU CA C 13 55.459 0.30 A 7 GLU N N 15 123.025 0.30 A 8 LEU H H 1 8.292 0.02 A 8 LEU C C 13 177.495 0.30 A 8 LEU CA C 13 53.425 0.30 A 8 LEU N N 15 123.147 0.30 A 9 VAL H H 1 9.051 0.02 A 9 VAL CA C 13 57.894 0.30 A 9 VAL N N 15 111.799 0.30 A 10 LEU H H 1 8.864 0.02 A 10 LEU C C 13 176.729 0.30 A 10 LEU CA C 13 52.489 0.30 A 10 LEU N N 15 123.127 0.30 A 11 ALA H H 1 8.988 0.02 A 11 ALA C C 13 178.406 0.30 A 11 ALA CA C 13 52.515 0.30 A 11 ALA N N 15 126.907 0.30 A 12 LEU H H 1 9.136 0.02 A 12 LEU C C 13 175.046 0.30 A 12 LEU CA C 13 55.727 0.30 A 12 LEU N N 15 127.694 0.30 A 13 TYR H H 1 6.979 0.02 A 13 TYR C C 13 173.844 0.30 A 13 TYR CA C 13 54.656 0.30 A 13 TYR N N 15 111.415 0.30 A 14 ASP H H 1 8.26 0.02 A 14 ASP C C 13 176.14 0.30 A 14 ASP CA C 13 54.522 0.30 A 14 ASP N N 15 117.591 0.30 A 15 TYR H H 1 8.58 0.02 A 15 TYR C C 13 172.859 0.30 A 15 TYR CA C 13 59.661 0.30 A 15 TYR N N 15 119.917 0.30 A 16 GLN H H 1 7.45 0.02 A 16 GLN C C 13 176.377 0.30 A 16 GLN CA C 13 53.666 0.30 A 16 GLN N N 15 127.024 0.30 A 17 GLU H H 1 7.899 0.02 A 17 GLU C C 13 176.14 0.30 A 17 GLU CA C 13 56.075 0.30 A 17 GLU N N 15 122.837 0.30 A 18 LYS H H 1 8.649 0.02 A 18 LYS C C 13 176.267 0.30 A 18 LYS CA C 13 55.245 0.30 A 18 LYS N N 15 120.622 0.30 A 19 SER H H 1 7.552 0.02 A 19 SER CA C 13 56.824 0.30 A 19 SER N N 15 115.184 0.30 A 21 ARG H H 1 7.596 0.02 A 21 ARG C C 13 176.638 0.30 A 21 ARG CA C 13 56.208 0.30 A 21 ARG N N 15 113.44 0.30 A 22 GLU H H 1 7.746 0.02 A 22 GLU C C 13 174.5 0.30 A 22 GLU CA C 13 55.352 0.30 A 22 GLU N N 15 121.392 0.30 A 23 VAL H H 1 7.318 0.02 A 23 VAL C C 13 172.337 0.30 A 23 VAL CA C 13 59.875 0.30 A 23 VAL N N 15 114.115 0.30 A 24 THR H H 1 7.324 0.02 A 24 THR C C 13 174.451 0.30 A 24 THR CA C 13 61.641 0.30 A 24 THR N N 15 118.996 0.30 A 25 MET H H 1 9.432 0.02 A 25 MET C C 13 173.931 0.30 A 25 MET CA C 13 54.389 0.30 A 25 MET N N 15 121.901 0.30 A 26 LYS H H 1 8.634 0.02 A 26 LYS C C 13 175.002 0.30 A 26 LYS CA C 13 53.666 0.30 A 26 LYS N N 15 124.169 0.30 A 27 LYS H H 1 8.919 0.02 A 27 LYS C C 13 177.318 0.30 A 27 LYS CA C 13 58.644 0.30 A 27 LYS N N 15 122.603 0.30 A 28 GLY H H 1 8.732 0.02 A 28 GLY C C 13 174.193 0.30 A 28 GLY CA C 13 44.888 0.30 A 28 GLY N N 15 115.585 0.30 A 29 ASP H H 1 8.388 0.02 A 29 ASP C C 13 174.281 0.30 A 29 ASP CA C 13 55.486 0.30 A 29 ASP N N 15 121.77 0.30 A 30 ILE H H 1 8.033 0.02 A 30 ILE C C 13 176.356 0.30 A 30 ILE CA C 13 60.249 0.30 A 30 ILE N N 15 120.469 0.30 A 31 LEU H H 1 9.223 0.02 A 31 LEU C C 13 175.745 0.30 A 31 LEU CA C 13 53.907 0.30 A 31 LEU N N 15 127.129 0.30 A 32 THR H H 1 8.36 0.02 A 32 THR C C 13 173.844 0.30 A 32 THR CA C 13 63.247 0.30 A 32 THR N N 15 117.055 0.30 A 33 LEU H H 1 8.937 0.02 A 33 LEU C C 13 174.718 0.30 A 33 LEU CA C 13 54.87 0.30 A 33 LEU N N 15 128.815 0.30 A 34 LEU H H 1 8.929 0.02 A 34 LEU C C 13 177.689 0.30 A 34 LEU CA C 13 55.218 0.30 A 34 LEU N N 15 126.23 0.30 A 35 ASN H H 1 7.489 0.02 A 35 ASN C C 13 174.565 0.30 A 35 ASN CA C 13 54.576 0.30 A 35 ASN N N 15 113.879 0.30 A 36 SER H H 1 9.086 0.02 A 36 SER C C 13 173.503 0.30 A 36 SER CA C 13 56.904 0.30 A 36 SER N N 15 123.684 0.30 A 37 THR H H 1 8.071 0.02 A 37 THR C C 13 175.417 0.30 A 37 THR CA C 13 65.521 0.30 A 37 THR N N 15 115.012 0.30 A 38 ASN H H 1 8.595 0.02 A 38 ASN C C 13 174.696 0.30 A 38 ASN CA C 13 53.479 0.30 A 38 ASN N N 15 122.517 0.30 A 39 LYS H H 1 8.416 0.02 A 39 LYS C C 13 176.444 0.30 A 39 LYS CA C 13 58.403 0.30 A 39 LYS N N 15 120.851 0.30 A 40 ASP H H 1 8.085 0.02 A 40 ASP C C 13 176.96 0.30 A 40 ASP CA C 13 55.352 0.30 A 40 ASP N N 15 114.427 0.30 A 41 TRP H H 1 8.096 0.02 A 41 TRP C C 13 174.303 0.30 A 41 TRP CA C 13 56.208 0.30 A 41 TRP N N 15 122.708 0.30 A 42 TRP H H 1 9.245 0.02 A 42 TRP C C 13 174.303 0.30 A 42 TRP CA C 13 53.987 0.30 A 42 TRP N N 15 124.707 0.30 A 43 LYS H H 1 8.783 0.02 A 43 LYS C C 13 175.482 0.30 A 43 LYS CA C 13 55.379 0.30 A 43 LYS N N 15 124.005 0.30 A 44 VAL H H 1 9.287 0.02 A 44 VAL C C 13 173.472 0.30 A 44 VAL CA C 13 59.072 0.30 A 44 VAL N N 15 122.139 0.30 A 45 GLU H H 1 8.566 0.02 A 45 GLU C C 13 174.827 0.30 A 45 GLU CA C 13 54.174 0.30 A 45 GLU N N 15 118.524 0.30 A 46 VAL H H 1 8.774 0.02 A 46 VAL C C 13 174.608 0.30 A 46 VAL CA C 13 60.651 0.30 A 46 VAL N N 15 124.904 0.30 A 47 ASN H H 1 9.356 0.02 A 47 ASN C C 13 174.259 0.30 A 47 ASN CA C 13 55.245 0.30 A 47 ASN N N 15 126.53 0.30 A 48 ASP H H 1 8.628 0.02 A 48 ASP C C 13 174.521 0.30 A 48 ASP CA C 13 54.683 0.30 A 48 ASP N N 15 112.42 0.30 A 49 ARG H H 1 8.069 0.02 A 49 ARG C C 13 174.477 0.30 A 49 ARG CA C 13 55.298 0.30 A 49 ARG N N 15 120.379 0.30 A 50 GLN H H 1 8.432 0.02 A 50 GLN C C 13 175.963 0.30 A 50 GLN CA C 13 53.425 0.30 A 50 GLN N N 15 118.647 0.30 A 51 GLY H H 1 8.534 0.02 A 51 GLY C C 13 170.479 0.30 A 51 GLY CA C 13 45.638 0.30 A 51 GLY N N 15 107.028 0.30 A 52 PHE H H 1 9.098 0.02 A 52 PHE C C 13 175.635 0.30 A 52 PHE CA C 13 58.724 0.30 A 52 PHE N N 15 119.03 0.30 A 53 VAL H H 1 8.942 0.02 A 53 VAL CA C 13 58.108 0.30 A 53 VAL N N 15 110.897 0.30 A 55 ALA H H 1 7.355 0.02 A 55 ALA C C 13 178.565 0.30 A 55 ALA CA C 13 54.629 0.30 A 55 ALA N N 15 129.055 0.30 A 56 ALA H H 1 7.75 0.02 A 56 ALA C C 13 178.214 0.30 A 56 ALA CA C 13 52.943 0.30 A 56 ALA N N 15 113.282 0.30 A 57 TYR H H 1 7.611 0.02 A 57 TYR C C 13 174.565 0.30 A 57 TYR CA C 13 56.422 0.30 A 57 TYR N N 15 116.083 0.30 A 58 VAL H H 1 7.301 0.02 A 58 VAL C C 13 173.647 0.30 A 58 VAL CA C 13 58.242 0.30 A 58 VAL N N 15 110.965 0.30 A 59 LYS H H 1 8.515 0.02 A 59 LYS C C 13 176.16 0.30 A 59 LYS CA C 13 54.041 0.30 A 59 LYS N N 15 118.586 0.30 A 60 LYS H H 1 9.135 0.02 A 60 LYS C C 13 176.793 0.30 A 60 LYS CA C 13 58.617 0.30 A 60 LYS N N 15 125.734 0.30 A 61 LEU H H 1 8.384 0.02 A 61 LEU C C 13 174.106 0.30 A 61 LEU CA C 13 54.977 0.30 A 61 LEU N N 15 125.061 0.30 A 62 ASP H H 1 7.923 0.02 A 62 ASP CA C 13 56.101 0.30 A 62 ASP N N 15 123.073 0.30 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 2 ASP H A 3 GLU H 1.0 . 5.0 2 2 A 3 GLU H A 4 THR H 1.0 . 5.0 3 3 A 2 ASP H A 3 GLU H 1.0 . 5.0 4 4 A 3 GLU H A 5 GLY H 1.0 . 5.0 5 5 A 4 THR H A 5 GLY H 1.0 . 5.0 6 6 A 3 GLU H A 4 THR H 1.0 . 5.0 7 7 A 4 THR H A 6 LYS H 1.0 . 5.0 8 8 A 4 THR H A 5 GLY H 1.0 . 5.0 9 9 A 5 GLY H A 6 LYS H 1.0 . 5.0 10 10 A 5 GLY H A 7 GLU H 1.0 . 5.5 11 11 A 3 GLU H A 5 GLY H 1.0 . 5.0 12 12 A 5 GLY H A 61 LEU H 1.0 . 5.0 13 13 A 5 GLY H A 6 LYS H 1.0 . 5.0 14 14 A 6 LYS H A 7 GLU H 1.0 . 5.0 15 15 A 6 LYS H A 61 LEU H 1.0 . 5.0 16 16 A 4 THR H A 6 LYS H 1.0 . 5.0 17 17 A 5 GLY H A 7 GLU H 1.0 . 5.4 18 18 A 7 GLU H A 8 LEU H 1.0 . 5.0 19 19 A 6 LYS H A 7 GLU H 1.0 . 5.0 20 20 A 7 GLU H A 8 LEU H 1.0 . 5.0 21 21 A 61 LEU H A 8 LEU H 1.0 . 5.0 22 22 A 8 LEU H A 9 VAL H 1.0 . 5.0 23 23 A 9 VAL H A 10 LEU H 1.0 . 5.0 24 24 A 61 LEU H A 9 VAL H 1.0 . 6.0 25 25 A 8 LEU H A 9 VAL H 1.0 . 5.0 26 26 A 9 VAL H A 31 LEU H 1.0 . 5.0 27 27 A 9 VAL H A 33 LEU H 1.0 . 5.5 28 28 A 9 VAL H A 32 THR H 1.0 . 5.5 29 29 A 10 LEU H A 11 ALA H 1.0 . 5.0 30 30 A 9 VAL H A 10 LEU H 1.0 . 5.0 31 31 A 10 LEU H A 59 LYS H 1.0 . 5.0 32 32 A 61 LEU H A 10 LEU H 1.0 . 5.5 33 33 A 10 LEU H A 31 LEU H 1.0 . 6.0 34 34 A 10 LEU H A 11 ALA H 1.0 . 5.0 35 35 A 11 ALA H A 13 TYR H 1.0 . 6.0 36 36 A 11 ALA H A 29 ASP H 1.0 . 6.0 37 37 A 11 ALA H A 28 GLY H 1.0 . 5.0 38 38 A 31 LEU H A 11 ALA H 1.0 . 6.0 39 39 A 11 ALA H A 12 LEU H 1.0 . 5.0 40 40 A 11 ALA H A 59 LYS H 1.0 . 6.0 41 41 A 11 ALA H A 30 ILE H 1.0 . 6.0 42 42 A 59 LYS H A 12 LEU H 1.0 . 5.0 43 43 A 28 GLY H A 12 LEU H 1.0 . 6.0 44 44 A 13 TYR H A 12 LEU H 1.0 . 5.0 45 45 A 12 LEU H A 58 VAL H 1.0 . 6.0 46 46 A 11 ALA H A 12 LEU H 1.0 . 5.0 47 47 A 10 LEU H A 12 LEU H 1.0 . 6.5 48 48 A 13 TYR H A 12 LEU H 1.0 . 5.0 49 49 A 13 TYR H A 14 ASP H 1.0 . 5.0 50 50 A 13 TYR H A 28 GLY H 1.0 . 5.0 51 51 A 13 TYR H A 27 LYS H 1.0 . 5.2 52 52 A 14 ASP H A 27 LYS H 1.0 . 5.0 53 53 A 13 TYR H A 14 ASP H 1.0 . 5.0 54 54 A 14 ASP H A 15 TYR H 1.0 . 5.0 55 55 A 15 TYR H A 16 GLN H 1.0 . 5.0 56 56 A 27 LYS H A 15 TYR H 1.0 . 5.0 57 57 A 15 TYR H A 26 LYS H 1.0 . 5.0 58 58 A 15 TYR H A 25 MET H 1.0 . 5.0 59 59 A 14 ASP H A 15 TYR H 1.0 . 5.0 60 60 A 15 TYR H A 16 GLN H 1.0 . 5.0 61 61 A 16 GLN H A 25 MET H 1.0 . 5.3 62 62 A 16 GLN H A 17 GLU H 1.0 . 5.0 63 63 A 17 GLU H A 24 THR H 1.0 . 5.0 64 64 A 17 GLU H A 19 SER H 1.0 . 5.5 65 65 A 17 GLU H A 18 LYS H 1.0 . 5.0 66 66 A 16 GLN H A 17 GLU H 1.0 . 5.0 67 67 A 25 MET H A 17 GLU H 1.0 . 6.0 68 68 A 19 SER H A 18 LYS H 1.0 . 5.0 69 69 A 18 LYS H A 22 GLU H 1.0 . 5.8 70 70 A 17 GLU H A 18 LYS H 1.0 . 5.0 71 71 A 18 LYS H A 23 VAL H 1.0 . 5.5 72 72 A 17 GLU H A 19 SER H 1.0 . 5.5 73 73 A 19 SER H A 18 LYS H 1.0 . 5.0 74 74 A 19 SER H A 23 VAL H 1.0 . 6.0 75 75 A 19 SER H A 22 GLU H 1.0 . 5.0 76 76 A 22 GLU H A 21 ARG H 1.0 . 5.0 77 77 A 22 GLU H A 23 VAL H 1.0 . 5.0 78 78 A 22 GLU H A 52 PHE H 1.0 . 6.0 79 79 A 19 SER H A 22 GLU H 1.0 . 5.0 80 80 A 18 LYS H A 22 GLU H 1.0 . 6.0 81 81 A 22 GLU H A 23 VAL H 1.0 . 5.0 82 82 A 23 VAL H A 52 PHE H 1.0 . 5.5 83 83 A 18 LYS H A 23 VAL H 1.0 . 5.5 84 84 A 19 SER H A 23 VAL H 1.0 . 6.0 85 85 A 25 MET H A 24 THR H 1.0 . 5.0 86 86 A 17 GLU H A 24 THR H 1.0 . 5.0 87 87 A 16 GLN H A 24 THR H 1.0 . 6.4 88 88 A 25 MET H A 24 THR H 1.0 . 5.0 89 89 A 26 LYS H A 25 MET H 1.0 . 5.0 90 90 A 25 MET H A 17 GLU H 1.0 . 6.0 91 91 A 16 GLN H A 25 MET H 1.0 . 5.3 92 92 A 15 TYR H A 25 MET H 1.0 . 5.0 93 93 A 27 LYS H A 26 LYS H 1.0 . 5.0 94 94 A 26 LYS H A 25 MET H 1.0 . 5.0 95 95 A 15 TYR H A 26 LYS H 1.0 . 5.0 96 96 A 29 ASP H A 26 LYS H 1.0 . 6.0 97 97 A 28 GLY H A 27 LYS H 1.0 . 5.0 98 98 A 14 ASP H A 27 LYS H 1.0 . 5.0 99 99 A 27 LYS H A 15 TYR H 1.0 . 5.0 100 100 A 27 LYS H A 26 LYS H 1.0 . 5.0 101 101 A 13 TYR H A 27 LYS H 1.0 . 5.2 102 102 A 29 ASP H A 27 LYS H 1.0 . 5.5 103 103 A 28 GLY H A 27 LYS H 1.0 . 5.0 104 104 A 13 TYR H A 28 GLY H 1.0 . 5.0 105 105 A 11 ALA H A 28 GLY H 1.0 . 5.0 106 106 A 29 ASP H A 28 GLY H 1.0 . 5.0 107 107 A 28 GLY H A 12 LEU H 1.0 . 6.0 108 108 A 28 GLY H A 14 ASP H 1.0 . 5.8 109 109 A 11 ALA H A 29 ASP H 1.0 . 6.0 110 110 A 29 ASP H A 28 GLY H 1.0 . 5.0 111 111 A 29 ASP H A 30 ILE H 1.0 . 5.0 112 112 A 29 ASP H A 27 LYS H 1.0 . 5.5 113 113 A 31 LEU H A 30 ILE H 1.0 . 5.0 114 114 A 29 ASP H A 30 ILE H 1.0 . 5.0 115 115 A 11 ALA H A 30 ILE H 1.0 . 6.0 116 116 A 9 VAL H A 31 LEU H 1.0 . 5.0 117 117 A 31 LEU H A 11 ALA H 1.0 . 6.0 118 118 A 31 LEU H A 32 THR H 1.0 . 5.0 119 119 A 31 LEU H A 30 ILE H 1.0 . 5.0 120 120 A 10 LEU H A 31 LEU H 1.0 . 6.0 121 121 A 32 THR H A 45 GLU H 1.0 . 6.5 122 122 A 31 LEU H A 32 THR H 1.0 . 5.0 123 123 A 33 LEU H A 32 THR H 1.0 . 5.0 124 124 A 9 VAL H A 32 THR H 1.0 . 5.5 125 125 A 33 LEU H A 32 THR H 1.0 . 5.0 126 126 A 33 LEU H A 45 GLU H 1.0 . 5.5 127 127 A 9 VAL H A 33 LEU H 1.0 . 5.5 128 128 A 45 GLU H A 34 LEU H 1.0 . 5.0 129 129 A 34 LEU H A 44 VAL H 1.0 . 5.0 130 130 A 34 LEU H A 43 LYS H 1.0 . 6.0 131 131 A 34 LEU H A 35 ASN H 1.0 . 5.0 132 132 A 35 ASN H A 36 SER H 1.0 . 5.0 133 133 A 34 LEU H A 35 ASN H 1.0 . 5.0 134 134 A 43 LYS H A 35 ASN H 1.0 . 5.5 135 135 A 44 VAL H A 35 ASN H 1.0 . 6.5 136 136 A 35 ASN H A 37 THR H 1.0 . 6.5 137 137 A 35 ASN H A 36 SER H 1.0 . 5.0 138 138 A 36 SER H A 37 THR H 1.0 . 5.0 139 139 A 36 SER H A 38 ASN H 1.0 . 6.0 140 140 A 36 SER H A 37 THR H 1.0 . 5.0 141 141 A 37 THR H A 38 ASN H 1.0 . 5.0 142 142 A 37 THR H A 38 ASN H 1.0 . 5.0 143 143 A 38 ASN H A 39 LYS H 1.0 . 5.0 144 144 A 38 ASN H A 41 TRP H 1.0 . 5.5 145 145 A 39 LYS H A 40 ASP H 1.0 . 5.0 146 146 A 38 ASN H A 39 LYS H 1.0 . 5.0 147 147 A 41 TRP H A 40 ASP H 1.0 . 5.0 148 148 A 39 LYS H A 40 ASP H 1.0 . 5.0 149 149 A 41 TRP H A 42 TRP H 1.0 . 5.0 150 150 A 39 LYS H A 41 TRP H 1.0 . 5.5 151 151 A 41 TRP H A 55 ALA H 1.0 . 6.5 152 152 A 38 ASN H A 41 TRP H 1.0 . 5.5 153 153 A 43 LYS H A 42 TRP H 1.0 . 5.0 154 154 A 41 TRP H A 42 TRP H 1.0 . 5.0 155 155 A 42 TRP H A 55 ALA H 1.0 . 6.0 156 156 A 42 TRP H A 53 VAL H 1.0 . 5.5 157 157 A 44 VAL H A 43 LYS H 1.0 . 5.0 158 158 A 43 LYS H A 35 ASN H 1.0 . 5.5 159 159 A 43 LYS H A 42 TRP H 1.0 . 5.0 160 160 A 34 LEU H A 43 LYS H 1.0 . 6.0 161 161 A 43 LYS H A 53 VAL H 1.0 . 6.0 162 162 A 45 GLU H A 44 VAL H 1.0 . 5.0 163 163 A 44 VAL H A 43 LYS H 1.0 . 5.0 164 164 A 34 LEU H A 44 VAL H 1.0 . 5.0 165 165 A 44 VAL H A 51 GLY H 1.0 . 5.0 166 166 A 45 GLU H A 44 VAL H 1.0 . 5.0 167 167 A 45 GLU H A 46 VAL H 1.0 . 5.0 168 168 A 33 LEU H A 45 GLU H 1.0 . 5.5 169 169 A 32 THR H A 45 GLU H 1.0 . 6.5 170 170 A 45 GLU H A 46 VAL H 1.0 . 5.0 171 171 A 46 VAL H A 48 ASP H 1.0 . 5.0 172 172 A 46 VAL H A 47 ASN H 1.0 . 5.0 173 173 A 46 VAL H A 49 ARG H 1.0 . 5.0 174 174 A 46 VAL H A 50 GLN H 1.0 . 5.5 175 175 A 46 VAL H A 47 ASN H 1.0 . 5.0 176 176 A 47 ASN H A 49 ARG H 1.0 . 5.0 177 177 A 48 ASP H A 47 ASN H 1.0 . 5.0 178 178 A 46 VAL H A 48 ASP H 1.0 . 5.0 179 179 A 48 ASP H A 49 ARG H 1.0 . 5.0 180 180 A 48 ASP H A 47 ASN H 1.0 . 5.0 181 181 A 47 ASN H A 49 ARG H 1.0 . 5.0 182 182 A 46 VAL H A 49 ARG H 1.0 . 5.0 183 183 A 48 ASP H A 49 ARG H 1.0 . 5.0 184 184 A 49 ARG H A 50 GLN H 1.0 . 5.0 185 185 A 49 ARG H A 50 GLN H 1.0 . 5.0 186 186 A 46 VAL H A 50 GLN H 1.0 . 5.5 187 187 A 51 GLY H A 50 GLN H 1.0 . 5.0 188 188 A 51 GLY H A 46 VAL H 1.0 . 6.0 189 189 A 44 VAL H A 51 GLY H 1.0 . 5.0 190 190 A 51 GLY H A 50 GLN H 1.0 . 5.0 191 191 A 52 PHE H A 51 GLY H 1.0 . 5.0 192 192 A 23 VAL H A 52 PHE H 1.0 . 5.5 193 193 A 22 GLU H A 52 PHE H 1.0 . 6.0 194 194 A 52 PHE H A 51 GLY H 1.0 . 5.0 195 195 A 52 PHE H A 53 VAL H 1.0 . 5.0 196 196 A 42 TRP H A 53 VAL H 1.0 . 5.5 197 197 A 52 PHE H A 53 VAL H 1.0 . 5.0 198 198 A 55 ALA H A 56 ALA H 1.0 . 5.0 199 199 A 55 ALA H A 57 TYR H 1.0 . 6.0 200 200 A 42 TRP H A 55 ALA H 1.0 . 6.0 201 201 A 41 TRP H A 55 ALA H 1.0 . 6.5 202 202 A 58 VAL H A 56 ALA H 1.0 . 6.0 203 203 A 56 ALA H A 57 TYR H 1.0 . 5.0 204 204 A 55 ALA H A 56 ALA H 1.0 . 5.0 205 205 A 55 ALA H A 57 TYR H 1.0 . 6.0 206 206 A 58 VAL H A 57 TYR H 1.0 . 5.0 207 207 A 56 ALA H A 57 TYR H 1.0 . 5.0 208 208 A 58 VAL H A 57 TYR H 1.0 . 5.0 209 209 A 12 LEU H A 58 VAL H 1.0 . 6.0 210 210 A 58 VAL H A 56 ALA H 1.0 . 6.0 211 211 A 59 LYS H A 58 VAL H 1.0 . 5.0 212 212 A 59 LYS H A 12 LEU H 1.0 . 5.0 213 213 A 59 LYS H A 60 LYS H 1.0 . 5.0 214 214 A 11 ALA H A 59 LYS H 1.0 . 6.0 215 215 A 59 LYS H A 58 VAL H 1.0 . 5.0 216 216 A 10 LEU H A 59 LYS H 1.0 . 5.0 217 217 A 59 LYS H A 60 LYS H 1.0 . 5.0 218 218 A 61 LEU H A 60 LYS H 1.0 . 5.0 219 219 A 60 LYS H A 62 ASP H 1.0 . 5.0 220 220 A 10 LEU H A 60 LYS H 1.0 . 5.0 221 221 A 61 LEU H A 8 LEU H 1.0 . 5.0 222 222 A 61 LEU H A 10 LEU H 1.0 . 5.5 223 223 A 61 LEU H A 9 VAL H 1.0 . 5.5 224 224 A 6 LYS H A 61 LEU H 1.0 . 5.0 225 225 A 61 LEU H A 62 ASP H 1.0 . 5.0 226 226 A 5 GLY H A 61 LEU H 1.0 . 5.0 227 227 A 61 LEU H A 60 LYS H 1.0 . 5.0 228 228 A 61 LEU H A 62 ASP H 1.0 . 5.0 229 229 A 8 LEU H A 62 ASP H 1.0 . 6.5 230 230 A 60 LYS H A 62 ASP H 1.0 . 5.0 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 GLY C A 6 LYS N A 6 LYS CA A 6 LYS C 1.0 -115.2 -64.9 PHI 2 2 A 6 LYS N A 6 LYS CA A 6 LYS C A 7 GLU N 1.0 122.1 171.1 PSI 3 3 A 7 GLU C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -133.3 -101.7 PHI 4 4 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 VAL N 1.0 140.5 158.2 PSI 5 5 A 8 LEU C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -155.0 -125.0 PHI 6 6 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 LEU N 1.0 139.4 170.8 PSI 7 7 A 9 VAL C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -130.7 -93.0 PHI 8 8 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ALA N 1.0 115.6 149.9 PSI 9 9 A 10 LEU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -89.8 -75.8 PHI 10 10 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LEU N 1.0 109.3 127.8 PSI 11 11 A 11 ALA C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -97.7 -85.3 PHI 12 12 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 TYR N 1.0 -56.1 -32.7 PSI 13 13 A 15 TYR C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -147.4 -77.8 PHI 14 14 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 GLU N 1.0 123.5 153.4 PSI 15 15 A 20 PRO C A 21 ARG N A 21 ARG CA A 21 ARG C 1.0 -104.2 -78.5 PHI 16 16 A 21 ARG N A 21 ARG CA A 21 ARG C A 22 GLU N 1.0 -26.7 4.8 PSI 17 17 A 22 GLU C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -157.3 -131.4 PHI 18 18 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 THR N 1.0 140.3 167.0 PSI 19 19 A 23 VAL C A 24 THR N A 24 THR CA A 24 THR C 1.0 -139.9 -92.3 PHI 20 20 A 24 THR N A 24 THR CA A 24 THR C A 25 MET N 1.0 104.9 150.6 PSI 21 21 A 24 THR C A 25 MET N A 25 MET CA A 25 MET C 1.0 -138.7 -84.0 PHI 22 22 A 25 MET N A 25 MET CA A 25 MET C A 26 LYS N 1.0 116.5 160.1 PSI 23 23 A 25 MET C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -143.9 -84.4 PHI 24 24 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LYS N 1.0 121.9 169.1 PSI 25 25 A 26 LYS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -70.3 -41.9 PHI 26 26 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 GLY N 1.0 117.9 140.9 PSI 27 27 A 27 LYS C A 28 GLY N A 28 GLY CA A 28 GLY C 1.0 85.2 106.3 PHI 28 28 A 28 GLY N A 28 GLY CA A 28 GLY C A 29 ASP N 1.0 -21.8 -7.5 PSI 29 29 A 28 GLY C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -85.1 -61.9 PHI 30 30 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 ILE N 1.0 114.1 165.6 PSI 31 31 A 29 ASP C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -136.9 -109.9 PHI 32 32 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 LEU N 1.0 123.1 151.3 PSI 33 33 A 30 ILE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -121.2 -62.8 PHI 34 34 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 THR N 1.0 110.2 148.7 PSI 35 35 A 31 LEU C A 32 THR N A 32 THR CA A 32 THR C 1.0 -107.4 -78.9 PHI 36 36 A 32 THR N A 32 THR CA A 32 THR C A 33 LEU N 1.0 112.5 147.6 PSI 37 37 A 32 THR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -133.5 -81.3 PHI 38 38 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 98.9 138.4 PSI 39 39 A 33 LEU C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -104.4 -77.9 PHI 40 40 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 ASN N 1.0 -54.5 -4.9 PSI 41 41 A 34 LEU C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -177.8 -118.5 PHI 42 42 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 SER N 1.0 124.4 149.5 PSI 43 43 A 38 ASN C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -84.6 -56.6 PHI 44 44 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 ASP N 1.0 -51.7 -27.4 PSI 45 45 A 39 LYS C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -100.9 -75.2 PHI 46 46 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 TRP N 1.0 -24.9 2.0 PSI 47 47 A 40 ASP C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -149.9 -81.9 PHI 48 48 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 TRP N 1.0 114.1 159.0 PSI 49 49 A 41 TRP C A 42 TRP N A 42 TRP CA A 42 TRP C 1.0 -139.9 -101.8 PHI 50 50 A 42 TRP N A 42 TRP CA A 42 TRP C A 43 LYS N 1.0 123.4 158.5 PSI 51 51 A 42 TRP C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -134.7 -94.3 PHI 52 52 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 VAL N 1.0 110.3 147.1 PSI 53 53 A 43 LYS C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -143.4 -112.1 PHI 54 54 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 GLU N 1.0 148.6 168.5 PSI 55 55 A 44 VAL C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -145.1 -115.1 PHI 56 56 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 VAL N 1.0 132.2 156.1 PSI 57 57 A 45 GLU C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -139.7 -103.3 PHI 58 58 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ASN N 1.0 96.9 133.4 PSI 59 59 A 48 ASP C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -130.5 -86.7 PHI 60 60 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 GLN N 1.0 140.7 166.9 PSI 61 61 A 49 ARG C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -161.6 -121.2 PHI 62 62 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 GLY N 1.0 144.9 173.7 PSI 63 63 A 52 PHE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -133.2 -97.4 PHI 64 64 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 PRO N 1.0 92.9 162.4 PSI 65 65 A 54 PRO C A 55 ALA N A 55 ALA CA A 55 ALA C 1.0 -63.2 -51.4 PHI 66 66 A 55 ALA N A 55 ALA CA A 55 ALA C A 56 ALA N 1.0 -42.3 -32.1 PSI 67 67 A 55 ALA C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -77.5 -57.7 PHI 68 68 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 TYR N 1.0 -36.0 -2.5 PSI 69 69 A 56 ALA C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 -123.7 -77.4 PHI 70 70 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 VAL N 1.0 -45.2 21.0 PSI 71 71 A 57 TYR C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -147.3 -117.5 PHI 72 72 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 LYS N 1.0 153.2 170.7 PSI 73 73 A 58 VAL C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -151.5 -104.4 PHI 74 74 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 LYS N 1.0 120.2 155.5 PSI 75 75 A 59 LYS C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -104.0 -48.1 PHI 76 76 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 LEU N 1.0 122.2 147.7 PSI stop_ save_