data_nef_c36075_5xht 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5XHT 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 3 CYS SG 2 1 ZN ZN 1 6 CYS SG 2 1 ZN ZN 1 17 CYS SG 2 2 ZN ZN 1 20 CYS SG 2 2 ZN ZN 1 25 HIS ND1 2 1 ZN ZN 1 28 CYS SG 2 1 ZN ZN 1 55 CYS SG 2 2 ZN ZN 1 58 CYS SG 2 2 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 GLU start . . 2 A 2 MET middle . . 3 A 3 CYS middle -HG . 4 A 4 ASP middle . . 5 A 5 VAL middle . . 6 A 6 CYS middle -HG . 7 A 7 GLU middle . . 8 A 8 VAL middle . . 9 A 9 TRP middle . . 10 A 10 THR middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 SER middle . . 14 A 14 LEU middle . . 15 A 15 PHE middle . . 16 A 16 PRO middle . true 17 A 17 CYS middle -HG . 18 A 18 ARG middle . . 19 A 19 VAL middle . . 20 A 20 CYS middle -HG . 21 A 21 THR middle . . 22 A 22 ARG middle . . 23 A 23 VAL middle . . 24 A 24 PHE middle . . 25 A 25 HIS middle -HD1 . 26 A 26 ASP middle . . 27 A 27 GLY middle . false 28 A 28 CYS middle -HG . 29 A 29 LEU middle . . 30 A 30 ARG middle . . 31 A 31 ARG middle . . 32 A 32 MET middle . . 33 A 33 GLY middle . false 34 A 34 TYR middle . . 35 A 35 ILE middle . . 36 A 36 GLN middle . . 37 A 37 GLY middle . false 38 A 38 ASP middle . . 39 A 39 SER middle . . 40 A 40 ALA middle . . 41 A 41 ALA middle . . 42 A 42 GLU middle . . 43 A 43 VAL middle . . 44 A 44 THR middle . . 45 A 45 GLU middle . . 46 A 46 MET middle . . 47 A 47 ALA middle . . 48 A 48 HIS middle . . 49 A 49 THR middle . . 50 A 50 GLU middle . . 51 A 51 THR middle . . 52 A 52 GLY middle . false 53 A 53 TRP middle . . 54 A 54 SER middle . . 55 A 55 CYS middle -HG . 56 A 56 HIS middle . . 57 A 57 TYR middle . . 58 A 58 CYS middle -HG . 59 A 59 ASP middle . . 60 A 60 ASN end . . 61 B 1 ZN . . . 62 B 2 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 MET H H 1 7.34 0.03 A 2 MET HA H 1 4.33 0.03 A 2 MET HB2 H 1 1.54 0.03 A 2 MET HB3 H 1 1.54 0.03 A 2 MET HE% H 1 1.732 0.03 A 2 MET HG2 H 1 2.12 0.03 A 2 MET HG3 H 1 2.12 0.03 A 2 MET C C 13 170.12 0.1 A 2 MET CA C 13 55.33 0.1 A 2 MET CB C 13 33.52 0.1 A 2 MET CE C 13 15.41 0.1 A 2 MET CG C 13 31.02 0.1 A 2 MET N N 15 119.12 0.2 A 3 CYS H H 1 8.64 0.03 A 3 CYS HA H 1 3.63 0.03 A 3 CYS HB2 H 1 1.80 0.03 A 3 CYS HB3 H 1 1.80 0.03 A 3 CYS C C 13 175.21 0.1 A 3 CYS CA C 13 58.32 0.1 A 3 CYS CB C 13 31.12 0.1 A 3 CYS N N 15 122.54 0.2 A 4 ASP H H 1 7.98 0.03 A 4 ASP HA H 1 4.23 0.03 A 4 ASP HB2 H 1 2.45 0.03 A 4 ASP HB3 H 1 2.45 0.03 A 4 ASP C C 13 175.53 0.1 A 4 ASP CA C 13 55.32 0.1 A 4 ASP CB C 13 39.45 0.1 A 4 ASP N N 15 123.55 0.2 A 5 VAL H H 1 9.12 0.03 A 5 VAL HA H 1 4.21 0.03 A 5 VAL HB H 1 1.98 0.03 A 5 VAL HG1% H 1 1.21 0.03 A 5 VAL HG2% H 1 1.32 0.03 A 5 VAL C C 13 180.23 0.1 A 5 VAL CA C 13 63.12 0.1 A 5 VAL CB C 13 30.14 0.1 A 5 VAL CGy C 13 23.12 0.1 A 5 VAL CGx C 13 22.19 0.1 A 5 VAL N N 15 119.01 0.2 A 6 CYS H H 1 7.71 0.03 A 6 CYS HA H 1 4.65 0.03 A 6 CYS HB2 H 1 2.98 0.03 A 6 CYS HB3 H 1 2.98 0.03 A 6 CYS C C 13 170.39 0.1 A 6 CYS CA C 13 58.11 0.1 A 6 CYS CB C 13 30.12 0.1 A 6 CYS N N 15 117.1 0.2 A 7 GLU H H 1 8.45 0.03 A 7 GLU HA H 1 3.87 0.03 A 7 GLU HB2 H 1 2.22 0.03 A 7 GLU HB3 H 1 2.22 0.03 A 7 GLU HG2 H 1 1.98 0.03 A 7 GLU HG3 H 1 1.98 0.03 A 7 GLU C C 13 172.35 0.1 A 7 GLU CA C 13 57.64 0.1 A 7 GLU CB C 13 30.21 0.1 A 7 GLU CG C 13 35.41 0.1 A 7 GLU N N 15 120.25 0.2 A 8 VAL H H 1 8.32 0.03 A 8 VAL HA H 1 4.66 0.03 A 8 VAL HB H 1 2.36 0.03 A 8 VAL HG1% H 1 0.525 0.03 A 8 VAL HG2% H 1 0.323 0.03 A 8 VAL C C 13 178.23 0.1 A 8 VAL CA C 13 61.32 0.1 A 8 VAL CB C 13 33.24 0.1 A 8 VAL CGx C 13 21.33 0.1 A 8 VAL CGy C 13 23.21 0.1 A 8 VAL N N 15 117.21 0.2 A 9 TRP H H 1 9.123 0.03 A 9 TRP HA H 1 4.36 0.03 A 9 TRP HB2 H 1 3.52 0.03 A 9 TRP HB3 H 1 3.52 0.03 A 9 TRP HD1 H 1 7.524 0.03 A 9 TRP HE1 H 1 11.3 0.03 A 9 TRP HE3 H 1 7.41 0.03 A 9 TRP HH2 H 1 7.23 0.03 A 9 TRP HZ2 H 1 7.44 0.03 A 9 TRP HZ3 H 1 6.98 0.03 A 9 TRP C C 13 176.24 0.1 A 9 TRP CA C 13 58.13 0.1 A 9 TRP CB C 13 32.47 0.1 A 9 TRP CD1 C 13 125.41 0.1 A 9 TRP CE3 C 13 123.41 0.1 A 9 TRP CH2 C 13 126.7 0.1 A 9 TRP CZ2 C 13 114.33 0.1 A 9 TRP CZ3 C 13 122.01 0.1 A 9 TRP N N 15 118.45 0.2 A 9 TRP NE1 N 15 130.98 0.2 A 10 THR H H 1 7.87 0.03 A 10 THR HA H 1 4.01 0.03 A 10 THR HB H 1 3.97 0.03 A 10 THR HG2% H 1 1.21 0.03 A 10 THR C C 13 175.47 0.1 A 10 THR CA C 13 60.24 0.1 A 10 THR CB C 13 70.23 0.1 A 10 THR CG2 C 13 19.54 0.1 A 10 THR N N 15 115.23 0.2 A 11 ALA H H 1 8.25 0.03 A 11 ALA HA H 1 3.88 0.03 A 11 ALA HB% H 1 1.67 0.03 A 11 ALA C C 13 180 0.1 A 11 ALA CA C 13 53.21 0.1 A 11 ALA CB C 13 17.41 0.1 A 11 ALA N N 15 121.35 0.2 A 12 GLU H H 1 7.94 0.03 A 12 GLU HA H 1 4.21 0.03 A 12 GLU HB2 H 1 2.03 0.03 A 12 GLU HB3 H 1 2.03 0.03 A 12 GLU HG2 H 1 2.35 0.03 A 12 GLU HG3 H 1 2.35 0.03 A 12 GLU C C 13 174.21 0.1 A 12 GLU CA C 13 57.16 0.1 A 12 GLU CB C 13 29.64 0.1 A 12 GLU CG C 13 38.54 0.1 A 12 GLU N N 15 119.32 0.2 A 13 SER H H 1 7.45 0.03 A 13 SER HA H 1 4.05 0.03 A 13 SER HB2 H 1 4.25 0.03 A 13 SER HB3 H 1 4.25 0.03 A 13 SER C C 13 176.6 0.1 A 13 SER CA C 13 58.45 0.1 A 13 SER CB C 13 59.67 0.1 A 13 SER N N 15 117.41 0.2 A 14 LEU H H 1 7.34 0.03 A 14 LEU HA H 1 4.11 0.03 A 14 LEU HBx H 1 0.54 0.03 A 14 LEU HBy H 1 1.12 0.03 A 14 LEU HD1% H 1 0.56 0.03 A 14 LEU HD2% H 1 0.99 0.03 A 14 LEU HG H 1 1.78 0.03 A 14 LEU C C 13 172.74 0.1 A 14 LEU CA C 13 54.47 0.1 A 14 LEU CB C 13 39.78 0.1 A 14 LEU CDx C 13 21.54 0.1 A 14 LEU CDy C 13 26.14 0.1 A 14 LEU CG C 13 24.1 0.1 A 14 LEU N N 15 121.4 0.2 A 15 PHE H H 1 10.11 0.03 A 15 PHE HA H 1 4.95 0.03 A 15 PHE HB2 H 1 3.54 0.03 A 15 PHE HB3 H 1 3.54 0.03 A 15 PHE HD1 H 1 6.87 0.03 A 15 PHE HD2 H 1 6.87 0.03 A 15 PHE HE1 H 1 6.54 0.03 A 15 PHE HE2 H 1 6.54 0.03 A 15 PHE HZ H 1 6.14 0.03 A 15 PHE C C 13 171.35 0.1 A 15 PHE CA C 13 57.34 0.1 A 15 PHE CB C 13 39.47 0.1 A 15 PHE CD1 C 13 129.78 0.1 A 15 PHE CD2 C 13 129.78 0.1 A 15 PHE CE1 C 13 131.23 0.1 A 15 PHE CE2 C 13 131.23 0.1 A 15 PHE CZ C 13 128.47 0.1 A 15 PHE N N 15 121.47 0.2 A 16 PRO HA H 1 4.54 0.03 A 16 PRO HBy H 1 2.58 0.03 A 16 PRO HBx H 1 2.1 0.03 A 16 PRO HDx H 1 3.68 0.03 A 16 PRO HDy H 1 3.74 0.03 A 16 PRO HG2 H 1 1.74 0.03 A 16 PRO HG3 H 1 1.74 0.03 A 16 PRO C C 13 172.98 0.1 A 16 PRO CA C 13 63.41 0.1 A 16 PRO CB C 13 34.68 0.1 A 16 PRO CD C 13 51.98 0.1 A 16 PRO CG C 13 24.41 0.1 A 17 CYS H H 1 8.94 0.03 A 17 CYS HA H 1 4.91 0.03 A 17 CYS HB2 H 1 2.54 0.03 A 17 CYS HB3 H 1 2.54 0.03 A 17 CYS C C 13 174.95 0.1 A 17 CYS CA C 13 61.25 0.1 A 17 CYS CB C 13 28.65 0.1 A 17 CYS N N 15 122.47 0.2 A 18 ARG H H 1 6.87 0.03 A 18 ARG HA H 1 4.36 0.03 A 18 ARG HB2 H 1 1.66 0.03 A 18 ARG HB3 H 1 1.66 0.03 A 18 ARG HD2 H 1 3.21 0.03 A 18 ARG HD3 H 1 3.21 0.03 A 18 ARG HGy H 1 1.65 0.03 A 18 ARG HGx H 1 1.61 0.03 A 18 ARG C C 13 170.14 0.1 A 18 ARG CA C 13 56.47 0.1 A 18 ARG CB C 13 29.65 0.1 A 18 ARG CD C 13 44.58 0.1 A 18 ARG CG C 13 28.47 0.1 A 19 VAL H H 1 8.95 0.03 A 19 VAL HA H 1 3.85 0.03 A 19 VAL HB H 1 2.98 0.03 A 19 VAL HG1% H 1 1.12 0.03 A 19 VAL HG2% H 1 0.54 0.03 A 19 VAL C C 13 174.69 0.1 A 19 VAL CA C 13 63.25 0.1 A 19 VAL CB C 13 30.41 0.1 A 19 VAL CGy C 13 23.14 0.1 A 19 VAL CGx C 13 22.68 0.1 A 19 VAL N N 15 121.4 0.2 A 20 CYS H H 1 7.98 0.03 A 20 CYS HA H 1 4.55 0.03 A 20 CYS HBy H 1 2.89 0.03 A 20 CYS HBx H 1 2.14 0.03 A 20 CYS CB C 13 31.98 0.1 A 21 THR H H 1 8.14 0.03 A 21 THR HA H 1 4.26 0.03 A 21 THR HB H 1 3.97 0.03 A 21 THR HG2% H 1 1.54 0.03 A 21 THR C C 13 179.8 0.1 A 21 THR CA C 13 62.34 0.1 A 21 THR CB C 13 69.51 0.1 A 21 THR CG2 C 13 19.87 0.1 A 22 ARG H H 1 9.52 0.03 A 22 ARG HA H 1 4.13 0.03 A 22 ARG HBx H 1 1.65 0.03 A 22 ARG HBy H 1 2.1 0.03 A 22 ARG HD2 H 1 2.97 0.03 A 22 ARG HD3 H 1 2.97 0.03 A 22 ARG HG2 H 1 1.47 0.03 A 22 ARG HG3 H 1 1.47 0.03 A 22 ARG C C 13 175.445 0.1 A 22 ARG CB C 13 29.54 0.1 A 22 ARG CD C 13 43.98 0.1 A 22 ARG CG C 13 32.1 0.1 A 22 ARG N N 15 121.97 0.2 A 23 VAL H H 1 8.52 0.03 A 23 VAL HA H 1 4.87 0.03 A 23 VAL HB H 1 1.93 0.03 A 23 VAL HG1% H 1 0.23 0.03 A 23 VAL HG2% H 1 0.87 0.03 A 23 VAL C C 13 170.98 0.1 A 23 VAL CA C 13 61.14 0.1 A 23 VAL CB C 13 33.85 0.1 A 23 VAL CGy C 13 19.78 0.1 A 23 VAL CGx C 13 17.54 0.1 A 23 VAL N N 15 118.4 0.2 A 24 PHE H H 1 7.21 0.03 A 24 PHE HA H 1 4.95 0.03 A 24 PHE HBx H 1 2.88 0.03 A 24 PHE HBy H 1 3.01 0.03 A 24 PHE HD1 H 1 6.9 0.03 A 24 PHE HD2 H 1 6.9 0.03 A 24 PHE HE1 H 1 7.1 0.03 A 24 PHE HE2 H 1 7.1 0.03 A 24 PHE HZ H 1 7.9 0.03 A 24 PHE C C 13 170.97 0.1 A 24 PHE CA C 13 57.14 0.1 A 24 PHE CB C 13 42.74 0.1 A 24 PHE CD1 C 13 130.52 0.1 A 24 PHE CD2 C 13 130.52 0.1 A 24 PHE CE1 C 13 132.2 0.1 A 24 PHE CE2 C 13 132.2 0.1 A 24 PHE CZ C 13 127.5 0.1 A 24 PHE N N 15 119.5 0.2 A 25 HIS H H 1 10.58 0.03 A 25 HIS HA H 1 4.78 0.03 A 25 HIS HBx H 1 3.11 0.03 A 25 HIS HBy H 1 3.33 0.03 A 25 HIS HD2 H 1 6.87 0.03 A 25 HIS HE1 H 1 6.99 0.03 A 25 HIS C C 13 174.52 0.1 A 25 HIS CA C 13 56.24 0.1 A 25 HIS CB C 13 29.86 0.1 A 25 HIS CD2 C 13 118.5 0.1 A 25 HIS CE1 C 13 137.23 0.1 A 25 HIS N N 15 120.4 0.2 A 26 ASP H H 1 8.6 0.03 A 26 ASP HA H 1 4.06 0.03 A 26 ASP HBx H 1 2.34 0.03 A 26 ASP HBy H 1 2.65 0.03 A 26 ASP C C 13 180.66 0.1 A 26 ASP CA C 13 55.41 0.1 A 26 ASP CB C 13 38.47 0.1 A 26 ASP N N 15 121.4 0.2 A 27 GLY H H 1 7.55 0.03 A 27 GLY HAx H 1 3.99 0.03 A 27 GLY HAy H 1 4.01 0.03 A 27 GLY C C 13 179.52 0.1 A 27 GLY CA C 13 46.24 0.1 A 27 GLY N N 15 108.23 0.2 A 28 CYS H H 1 7.85 0.03 A 28 CYS HA H 1 3.92 0.03 A 28 CYS HB2 H 1 2.87 0.03 A 28 CYS HB3 H 1 2.87 0.03 A 28 CYS C C 13 179.52 0.1 A 28 CYS CA C 13 61.44 0.1 A 28 CYS CB C 13 28.44 0.1 A 28 CYS N N 15 122.01 0.2 A 29 LEU H H 1 8.12 0.03 A 29 LEU HA H 1 4.26 0.03 A 29 LEU HB2 H 1 2.12 0.03 A 29 LEU HB3 H 1 2.12 0.03 A 29 LEU HD1% H 1 0.12 0.03 A 29 LEU HD2% H 1 0.56 0.03 A 29 LEU HG H 1 1.74 0.03 A 29 LEU C C 13 180.47 0.1 A 29 LEU CA C 13 56.24 0.1 A 29 LEU CB C 13 39.47 0.1 A 29 LEU CDy C 13 24.59 0.1 A 29 LEU CDx C 13 22.14 0.1 A 29 LEU CG C 13 25.84 0.1 A 29 LEU N N 15 120.74 0.2 A 30 ARG H H 1 8.74 0.03 A 30 ARG HA H 1 4.19 0.03 A 30 ARG HB2 H 1 2.24 0.03 A 30 ARG HB3 H 1 2.24 0.03 A 30 ARG HD2 H 1 2.98 0.03 A 30 ARG HD3 H 1 2.98 0.03 A 30 ARG HGx H 1 1.87 0.03 A 30 ARG HGy H 1 1.87 0.03 A 30 ARG C C 13 180.5 0.1 A 30 ARG CA C 13 55.41 0.1 A 30 ARG CB C 13 29.69 0.1 A 30 ARG CD C 13 44.1 0.1 A 30 ARG CG C 13 27.54 0.1 A 30 ARG N N 15 119.4 0.2 A 31 ARG H H 1 7.41 0.03 A 31 ARG HA H 1 4 0.03 A 31 ARG HB2 H 1 1.58 0.03 A 31 ARG HB3 H 1 1.58 0.03 A 31 ARG HD2 H 1 3.32 0.03 A 31 ARG HD3 H 1 3.32 0.03 A 31 ARG HG2 H 1 1.77 0.03 A 31 ARG HG3 H 1 1.77 0.03 A 31 ARG C C 13 177.21 0.1 A 31 ARG CA C 13 56.31 0.1 A 31 ARG CB C 13 29.54 0.1 A 31 ARG CD C 13 45.1 0.1 A 31 ARG CG C 13 25.41 0.1 A 31 ARG N N 15 118.01 0.2 A 32 MET H H 1 8.52 0.03 A 32 MET HA H 1 4.52 0.03 A 32 MET HB2 H 1 1.84 0.03 A 32 MET HB3 H 1 1.84 0.03 A 32 MET HE% H 1 1.78 0.03 A 32 MET HG2 H 1 2.54 0.03 A 32 MET HG3 H 1 2.54 0.03 A 32 MET C C 13 174.21 0.1 A 32 MET CA C 13 55.31 0.1 A 32 MET CB C 13 33.25 0.1 A 32 MET CE C 13 18.41 0.1 A 32 MET CG C 13 34.65 0.1 A 32 MET N N 15 116.02 0.2 A 33 GLY H H 1 7.88 0.03 A 33 GLY HAx H 1 3.9 0.03 A 33 GLY HAy H 1 4.01 0.03 A 33 GLY C C 13 175.41 0.1 A 33 GLY CA C 13 45.51 0.1 A 33 GLY N N 15 108.65 0.2 A 34 TYR H H 1 8.52 0.03 A 34 TYR HA H 1 4.33 0.03 A 34 TYR HBx H 1 2.87 0.03 A 34 TYR HBy H 1 3.14 0.03 A 34 TYR HD1 H 1 7.01 0.03 A 34 TYR HD2 H 1 7.01 0.03 A 34 TYR HE1 H 1 6.85 0.03 A 34 TYR HE2 H 1 6.85 0.03 A 34 TYR C C 13 176.41 0.1 A 34 TYR CA C 13 58.23 0.1 A 34 TYR CB C 13 40.58 0.1 A 34 TYR CD1 C 13 131.2 0.1 A 34 TYR CD2 C 13 131.2 0.1 A 34 TYR CE1 C 13 115.95 0.1 A 34 TYR CE2 C 13 115.95 0.1 A 34 TYR N N 15 118.41 0.2 A 35 ILE H H 1 8.01 0.03 A 35 ILE HA H 1 3.08 0.03 A 35 ILE HB H 1 1.89 0.03 A 35 ILE HD1% H 1 0.39 0.03 A 35 ILE HG12 H 1 1.23 0.03 A 35 ILE HG13 H 1 1.23 0.03 A 35 ILE HG2% H 1 0.52 0.03 A 35 ILE C C 13 171.41 0.1 A 35 ILE CA C 13 60.98 0.1 A 35 ILE CB C 13 41.52 0.1 A 35 ILE CD1 C 13 14.52 0.1 A 35 ILE CG1 C 13 28.14 0.1 A 35 ILE CG2 C 13 15.41 0.1 A 35 ILE N N 15 119.77 0.2 A 36 GLN H H 1 7.98 0.03 A 36 GLN HA H 1 4.36 0.03 A 36 GLN HB2 H 1 2.55 0.03 A 36 GLN HB3 H 1 2.55 0.03 A 36 GLN HE2y H 1 7.4 0.03 A 36 GLN HE2x H 1 7 0.03 A 36 GLN HG2 H 1 2.14 0.03 A 36 GLN HG3 H 1 2.14 0.03 A 36 GLN C C 13 178.365 0.1 A 36 GLN CA C 13 56.41 0.1 A 36 GLN CB C 13 29.56 0.1 A 36 GLN CG C 13 35.14 0.1 A 36 GLN N N 15 121.41 0.2 A 36 GLN NE2 N 15 115.14 0.2 A 37 GLY H H 1 9.45 0.03 A 37 GLY HA2 H 1 3.93 0.03 A 37 GLY HA3 H 1 3.93 0.03 A 37 GLY C C 13 176.54 0.1 A 37 GLY CA C 13 45.52 0.1 A 37 GLY N N 15 109.14 0.2 A 38 ASP H H 1 8.91 0.03 A 38 ASP HA H 1 4.54 0.03 A 38 ASP HB2 H 1 2.31 0.03 A 38 ASP HB3 H 1 2.31 0.03 A 38 ASP C C 13 178.95 0.1 A 38 ASP CA C 13 54.74 0.1 A 38 ASP CB C 13 38.744 0.1 A 38 ASP N N 15 120.99 0.2 A 39 SER H H 1 8.97 0.03 A 39 SER HA H 1 4.34 0.03 A 39 SER HBy H 1 4.35 0.03 A 39 SER HBx H 1 4.15 0.03 A 39 SER C C 13 178.54 0.1 A 39 SER CA C 13 58.21 0.1 A 39 SER CB C 13 65.14 0.1 A 39 SER N N 15 116.7 0.2 A 40 ALA H H 1 7.93 0.03 A 40 ALA HA H 1 4.2 0.03 A 40 ALA HB% H 1 1.78 0.03 A 40 ALA C C 13 179.81 0.1 A 40 ALA CA C 13 53.44 0.1 A 40 ALA CB C 13 23.1 0.1 A 40 ALA N N 15 123.54 0.2 A 41 ALA H H 1 7.93 0.03 A 41 ALA HA H 1 4.1 0.03 A 41 ALA HB% H 1 1.96 0.03 A 41 ALA C C 13 179.41 0.1 A 41 ALA CA C 13 52.41 0.1 A 41 ALA CB C 13 19.04 0.1 A 41 ALA N N 15 122.41 0.2 A 42 GLU H H 1 7.14 0.03 A 42 GLU HA H 1 3.98 0.03 A 42 GLU HBy H 1 1.88 0.03 A 42 GLU HBx H 1 1.78 0.03 A 42 GLU HG2 H 1 2.3 0.03 A 42 GLU HG3 H 1 2.3 0.03 A 42 GLU C C 13 174.35 0.1 A 42 GLU CA C 13 57.25 0.1 A 42 GLU CB C 13 33.25 0.1 A 42 GLU CG C 13 37.41 0.1 A 42 GLU N N 15 119.8 0.2 A 43 VAL H H 1 7.16 0.03 A 43 VAL HA H 1 3.86 0.03 A 43 VAL HB H 1 1.67 0.03 A 43 VAL HG1% H 1 0.696 0.03 A 43 VAL HG2% H 1 0.321 0.03 A 43 VAL C C 13 179.63 0.1 A 43 VAL CA C 13 62.52 0.1 A 43 VAL CB C 13 35.14 0.1 A 43 VAL CGx C 13 21.36 0.1 A 43 VAL CGy C 13 22.25 0.1 A 43 VAL N N 15 121.14 0.2 A 44 THR H H 1 8.66 0.03 A 44 THR HA H 1 4.06 0.03 A 44 THR HB H 1 3.85 0.03 A 44 THR HG2% H 1 0.94 0.03 A 44 THR C C 13 176.52 0.1 A 44 THR CA C 13 62.41 0.1 A 44 THR CB C 13 70.25 0.1 A 44 THR CG2 C 13 23.85 0.1 A 44 THR N N 15 115.4 0.2 A 45 GLU H H 1 7.84 0.03 A 45 GLU HA H 1 4.29 0.03 A 45 GLU HB2 H 1 1.99 0.03 A 45 GLU HB3 H 1 1.99 0.03 A 45 GLU HG2 H 1 2.3 0.03 A 45 GLU HG3 H 1 2.3 0.03 A 45 GLU C C 13 174.25 0.1 A 45 GLU CA C 13 56.5 0.1 A 45 GLU CB C 13 32.54 0.1 A 45 GLU CG C 13 38.52 0.1 A 45 GLU N N 15 120.58 0.2 A 46 MET H H 1 7.43 0.03 A 46 MET HA H 1 4.23 0.03 A 46 MET HBy H 1 1.85 0.03 A 46 MET HBx H 1 1.78 0.03 A 46 MET HE% H 1 1.5 0.03 A 46 MET HG2 H 1 2.22 0.03 A 46 MET HG3 H 1 2.22 0.03 A 46 MET C C 13 179.5 0.1 A 46 MET CA C 13 55.47 0.1 A 46 MET CB C 13 29.52 0.1 A 46 MET CE C 13 18.41 0.1 A 46 MET CG C 13 33.14 0.1 A 46 MET N N 15 120.85 0.2 A 47 ALA H H 1 7.45 0.03 A 47 ALA HA H 1 4.04 0.03 A 47 ALA HB% H 1 1.83 0.03 A 47 ALA C C 13 178.3 0.1 A 47 ALA CA C 13 53.41 0.1 A 47 ALA CB C 13 23.21 0.1 A 47 ALA N N 15 123.4 0.2 A 48 HIS H H 1 8.33 0.03 A 48 HIS HA H 1 4.86 0.03 A 48 HIS HB2 H 1 3.25 0.03 A 48 HIS HB3 H 1 3.25 0.03 A 48 HIS HD2 H 1 6.53 0.03 A 48 HIS HE1 H 1 7.14 0.03 A 48 HIS C C 13 173.2 0.1 A 48 HIS CA C 13 56.47 0.1 A 48 HIS CB C 13 32.59 0.1 A 48 HIS CD2 C 13 123.25 0.1 A 48 HIS CE1 C 13 139.5 0.1 A 48 HIS N N 15 119.2 0.2 A 49 THR HA H 1 4.11 0.03 A 49 THR HB H 1 3.5 0.03 A 49 THR HG2% H 1 0.97 0.03 A 49 THR C C 13 176.52 0.1 A 49 THR CA C 13 61.97 0.1 A 49 THR CB C 13 71.22 0.1 A 49 THR CG2 C 13 19.5 0.1 A 50 GLU H H 1 7.88 0.03 A 50 GLU HA H 1 4.09 0.03 A 50 GLU HB2 H 1 1.85 0.03 A 50 GLU HB3 H 1 1.85 0.03 A 50 GLU HG2 H 1 2.5 0.03 A 50 GLU HG3 H 1 2.5 0.03 A 50 GLU C C 13 179.87 0.1 A 50 GLU CA C 13 57.41 0.1 A 50 GLU CB C 13 29.14 0.1 A 50 GLU CG C 13 35.49 0.1 A 50 GLU N N 15 120.69 0.2 A 51 THR H H 1 7.19 0.03 A 51 THR HA H 1 3.81 0.03 A 51 THR HB H 1 4.51 0.03 A 51 THR HG2% H 1 1.35 0.03 A 51 THR C C 13 176.85 0.1 A 51 THR CA C 13 62.84 0.1 A 51 THR CB C 13 70.68 0.1 A 51 THR CG2 C 13 20.1 0.1 A 51 THR N N 15 115.5 0.2 A 52 GLY H H 1 8.52 0.03 A 52 GLY HA2 H 1 4.68 0.03 A 52 GLY HA3 H 1 4.68 0.03 A 52 GLY C C 13 173.5 0.1 A 52 GLY CA C 13 45.38 0.1 A 52 GLY N N 15 109.98 0.2 A 53 TRP H H 1 8.74 0.03 A 53 TRP HA H 1 4.78 0.03 A 53 TRP HB2 H 1 3.52 0.03 A 53 TRP HB3 H 1 3.52 0.03 A 53 TRP HD1 H 1 7.25 0.03 A 53 TRP HE1 H 1 8.54 0.03 A 53 TRP HE3 H 1 7.31 0.03 A 53 TRP HH2 H 1 6.1 0.03 A 53 TRP HZ2 H 1 6.54 0.03 A 53 TRP HZ3 H 1 6.21 0.03 A 53 TRP C C 13 171.01 0.1 A 53 TRP CA C 13 57.41 0.1 A 53 TRP CB C 13 29.52 0.1 A 53 TRP CD1 C 13 128.54 0.1 A 53 TRP CE3 C 13 125.14 0.1 A 53 TRP CH2 C 13 125.41 0.1 A 53 TRP CZ2 C 13 115.81 0.1 A 53 TRP CZ3 C 13 119.54 0.1 A 53 TRP N N 15 122.51 0.2 A 53 TRP NE1 N 15 129.59 0.2 A 54 SER H H 1 8.03 0.03 A 54 SER HA H 1 3.39 0.03 A 54 SER HB2 H 1 3.52 0.03 A 54 SER HB3 H 1 3.52 0.03 A 54 SER C C 13 176.5 0.1 A 54 SER CA C 13 58.47 0.1 A 54 SER CB C 13 68.2 0.1 A 54 SER N N 15 119.8 0.2 A 55 CYS H H 1 10.25 0.03 A 55 CYS HA H 1 4.11 0.03 A 55 CYS HBy H 1 2.55 0.03 A 55 CYS HBx H 1 2.51 0.03 A 55 CYS CA C 13 58.32 0.1 A 55 CYS CB C 13 28.14 0.1 A 55 CYS N N 15 124.14 0.2 A 56 HIS H H 1 7.69 0.03 A 56 HIS HA H 1 4.33 0.03 A 56 HIS HB2 H 1 2.51 0.03 A 56 HIS HB3 H 1 2.51 0.03 A 56 HIS HD2 H 1 6.25 0.03 A 56 HIS HE1 H 1 6.25 0.03 A 56 HIS C C 13 178.14 0.1 A 56 HIS CA C 13 56.78 0.1 A 56 HIS CB C 13 29.54 0.1 A 56 HIS CD2 C 13 123.25 0.1 A 56 HIS CE1 C 13 137.709 0.1 A 56 HIS N N 15 115.41 0.2 A 57 TYR H H 1 9.41 0.03 A 57 TYR HA H 1 3.99 0.03 A 57 TYR HB2 H 1 3.12 0.03 A 57 TYR HB3 H 1 3.12 0.03 A 57 TYR HD1 H 1 7.51 0.03 A 57 TYR HD2 H 1 7.51 0.03 A 57 TYR HE1 H 1 6.99 0.03 A 57 TYR HE2 H 1 6.99 0.03 A 57 TYR C C 13 179.51 0.1 A 57 TYR CA C 13 58.12 0.1 A 57 TYR CB C 13 35.41 0.1 A 57 TYR CD1 C 13 135.41 0.1 A 57 TYR CD2 C 13 135.41 0.1 A 57 TYR CE1 C 13 121.1 0.1 A 57 TYR CE2 C 13 121.1 0.1 A 57 TYR N N 15 120.85 0.2 A 58 CYS H H 1 8.65 0.03 A 58 CYS HA H 1 4.32 0.03 A 58 CYS HBy H 1 2.9 0.03 A 58 CYS HBx H 1 2.82 0.03 A 58 CYS C C 13 179.5 0.1 A 58 CYS CA C 13 58.21 0.1 A 58 CYS CB C 13 29.74 0.1 A 58 CYS N N 15 121.7 0.2 A 59 ASP H H 1 8.57 0.03 A 59 ASP HA H 1 4.18 0.03 A 59 ASP HB2 H 1 2.54 0.03 A 59 ASP HB3 H 1 2.54 0.03 A 59 ASP C C 13 174.52 0.1 A 59 ASP CA C 13 53.65 0.1 A 59 ASP CB C 13 39.7 0.1 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 8 VAL HA A 9 TRP H 1.0 . 3.22 2 2 A 30 ARG HA A 33 GLY H 1.0 . 4.01 3 3 A 2 MET HA A 3 CYS H 1.0 . 3.54 4 4 A 13 SER HA A 13 SER H 1.0 . 3.02 5 5 A 40 ALA HA A 41 ALA H 1.0 . 3.01 6 6 A 42 GLU HA A 43 VAL H 1.0 . 3.23 7 7 A 9 TRP HA A 10 THR H 1.0 . 2.82 8 8 A 7 GLU HA A 8 VAL H 1.0 . 3.87 9 9 A 29 LEU HA A 35 ILE H 1.0 . 4.80 10 10 A 35 ILE HA A 35 ILE HG2% 1.0 . 3.33 11 11 A 57 TYR HA A 57 TYR HD% 1.0 . 3.78 12 12 A 35 ILE HA A 35 ILE HD1% 1.0 . 4.45 13 13 A 10 THR HA A 10 THR HG2% 1.0 . 3.65 14 14 A 3 CYS HA A 24 PHE HA 1.0 . 4.01 15 15 A 7 GLU HA A 7 GLU HG3 1.0 . 3.66 16 16 A 19 VAL HA A 19 VAL HG1% 1.0 . 3.23 17 17 A 49 THR HA A 49 THR HG2% 1.0 . 3.12 18 18 A 5 VAL HA A 5 VAL HG2% 1.0 . 3.38 19 19 A 3 CYS HA A 23 VAL HG2% 1.0 . 4.01 20 20 A 8 VAL HA A 8 VAL HG2% 1.0 . 3.56 21 21 A 41 ALA HA A 43 VAL HG2% 1.0 . 4.29 22 22 A 43 VAL HA A 44 THR HB 1.0 . 4.38 23 23 A 15 PHE HA A 32 MET HE% 1.0 . 5.01 24 24 A 2 MET HA A 2 MET HE% 1.0 . 4.34 25 25 A 15 PHE HA A 15 PHE HD% 1.0 . 4.67 26 26 A 3 CYS HA A 15 PHE H 1.0 . 4.77 27 27 A 47 ALA HA A 53 TRP HB3 1.0 . 5.38 stop_ save_