data_nef_c50202_6yfy save_entry_information_1 _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information_1 _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 . save_ save_assembly_1 _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly_1 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 1 ZAE C 1 2 ILE N 1 3 SER C 1 4 DAR N 1 4 DAR C 1 5 28J N 1 5 28J C 1 6 ILE N 1 7 SER C 1 8 DTH N 1 8 DTH C 1 9 ALA N 1 8 DTH OG1 1 11 ILE C 2 1 ZAE C 2 2 ILE N 2 3 SER C 2 4 DAR N 2 4 DAR C 2 5 28J N 2 5 28J C 2 6 ILE N 2 7 SER C 2 8 DTH N 2 8 DTH C 2 9 ALA N 2 8 DTH OG1 2 11 ILE C 3 1 ZAE C 3 2 ILE N 3 3 SER C 3 4 DAR N 3 4 DAR C 3 5 28J N 3 5 28J C 3 6 ILE N 3 7 SER C 3 8 DTH N 3 8 DTH C 3 9 ALA N 3 8 DTH OG1 3 11 ILE C 4 1 ZAE C 4 2 ILE N 4 3 SER C 4 4 DAR N 4 4 DAR C 4 5 28J N 4 5 28J C 4 6 ILE N 4 7 SER C 4 8 DTH N 4 8 DTH C 4 9 ALA N 4 8 DTH OG1 4 11 ILE C 5 1 ALA C 5 2 DGL N 5 2 DGL CD 5 3 LYS N 5 3 LYS C 5 4 DAL N 5 4 DAL C 5 5 DAL N 6 1 ALA C 6 2 DGL N 6 2 DGL CD 6 3 LYS N 6 3 LYS C 6 4 DAL N 6 4 DAL C 6 5 DAL N 7 1 ALA C 7 2 DGL N 7 2 DGL CD 7 3 LYS N 7 3 LYS C 7 4 DAL N 7 4 DAL C 7 5 DAL N 8 1 ALA C 8 2 DGL N 8 2 DGL CD 8 3 LYS N 8 3 LYS C 8 4 DAL N 8 4 DAL C 8 5 DAL N . . . . . . . . . . . . 13 1 2PO P 13 1 2PO O3P 13 2 2PO P 13 2 2PO O3P 14 1 P1W C1 14 1 P1W C4 14 2 P1W C1 14 2 P1W C4 14 3 P1W C1 . . . . . . . . . . . . 13 3 2PO P 14 4 P1W C4 14 5 P1W C1 14 4 P1W C1 14 6 P1W C4 13 3 2PO O3P 13 4 2PO P 13 4 2PO O3P 14 6 P1W C1 . . . . . . . . . . . . 13 5 2PO P 13 5 2PO O3P 13 6 2PO P 13 6 2PO O3P 14 7 P1W C1 14 7 P1W C4 14 8 P1W C1 14 8 P1W C4 14 9 P1W C1 . . . . . . . . . . . . 13 7 2PO P 13 7 2PO O3P 13 8 2PO P 13 8 2PO O3P 14 10 P1W C1 14 10 P1W C4 14 11 P1W C1 14 11 P1W C4 14 12 P1W C1 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 ZAE start -OXT . 2 A 2 ILE middle . . 3 A 3 SER middle -OXT . 4 A 4 DAR middle -H2,-OXT . 5 A 5 28J middle -H2,-OXT . 6 A 6 ILE middle -H2 . 7 A 7 SER middle -OXT . 8 A 8 DTH middle -HN2,-OXT . 9 A 9 ALA middle -H2 . 10 A 10 LEU middle . . 11 A 11 ILE end -OXT . 12 F 1 ZAE start -OXT . 13 F 2 ILE middle . . 14 F 3 SER middle -OXT . 15 F 4 DAR middle -H2,-OXT . 16 F 5 28J middle -H2,-OXT . 17 F 6 ILE middle -H2 . 18 F 7 SER middle -OXT . 19 F 8 DTH middle -HN2,-OXT . 20 F 9 ALA middle -H2 . 21 F 10 LEU middle . . 22 F 11 ILE end -OXT . 23 E 1 ZAE start -OXT . 24 E 2 ILE middle . . 25 E 3 SER middle -OXT . 26 E 4 DAR middle -H2,-OXT . 27 E 5 28J middle -H2,-OXT . 28 E 6 ILE middle -H2 . 29 E 7 SER middle -OXT . 30 E 8 DTH middle -HN2,-OXT . 31 E 9 ALA middle -H2 . 32 E 10 LEU middle . . 33 E 11 ILE end -OXT . 34 B 1 ZAE start -OXT . 35 B 2 ILE middle . . 36 B 3 SER middle -OXT . 37 B 4 DAR middle -H2,-OXT . 38 B 5 28J middle -H2,-OXT . 39 B 6 ILE middle -H2 . 40 B 7 SER middle -OXT . 41 B 8 DTH middle -HN2,-OXT . 42 B 9 ALA middle -H2 . 43 B 10 LEU middle . . 44 B 11 ILE end -OXT . 45 C 1 ALA . -OXT . 46 C 2 DGL . -H2 . 47 C 3 LYS . -H2,-OXT . 48 C 4 DAL . -H2,-OXT . 49 C 5 DAL . -H2 . 50 D 1 ALA . -OXT . 51 D 2 DGL . -H2 . 52 D 3 LYS . -H2,-OXT . 53 D 4 DAL . -H2,-OXT . 54 D 5 DAL . -H2 . 55 G 1 ALA . -OXT . 56 G 2 DGL . -H2 . 57 G 3 LYS . -H2,-OXT . 58 G 4 DAL . -H2,-OXT . 59 G 5 DAL . -H2 . 60 H 1 ALA . -OXT . 61 H 2 DGL . -H2 . 62 H 3 LYS . -H2,-OXT . 63 H 4 DAL . -H2,-OXT . 64 H 5 DAL . -H2 . 65 L 1 MUB . . . 66 L 2 NAG . . . 67 I 1 MUB . . . 68 I 2 NAG . . . 69 J 1 MUB . . . 70 J 2 NAG . . . 71 K 1 MUB . . . 72 K 2 NAG . . . 73 N 1 2PO . . . 74 N 2 2PO . . . 75 N 3 2PO . . . 76 N 4 2PO . . . 77 N 5 2PO . . . 78 N 6 2PO . . . 79 N 7 2PO . . . 80 N 8 2PO . . . 81 M 1 P1W . -O1 . 82 M 2 P1W . -O1 . 83 M 3 P1W . -O1 . 84 M 4 P1W . -O1 . 85 M 5 P1W . -O1 . 86 M 6 P1W . -O1 . 87 M 7 P1W . -O1 . 88 M 8 P1W . -O1 . 89 M 9 P1W . -O1 . 90 M 10 P1W . -O1 . 91 M 11 P1W . -O1 . 92 M 12 P1W . -O1 . 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 ILE H H 1 8.39 0.03 A 2 ILE C C 13 172.75 0.3 A 2 ILE CA C 13 59.16 0.3 A 2 ILE CB C 13 42.43 0.3 A 2 ILE CD1 C 13 14.97 0.3 A 2 ILE CG1 C 13 27.31 0.3 A 2 ILE CG2 C 13 16.85 0.3 A 2 ILE N N 15 129.52 0.5 A 3 SER H H 1 9.35 0.03 A 3 SER C C 13 172.47 0.3 A 3 SER CA C 13 57.14 0.3 A 3 SER CB C 13 66.69 0.3 A 3 SER N N 15 119.74 0.5 A 6 ILE H H 1 8.45 0.03 A 6 ILE C C 13 176.18 0.3 A 6 ILE CA C 13 57.26 0.3 A 6 ILE CB C 13 38.51 0.3 A 6 ILE CD1 C 13 12.26 0.3 A 6 ILE CG1 C 13 26.82 0.3 A 6 ILE CG2 C 13 18.11 0.3 A 6 ILE N N 15 121.26 0.5 A 7 SER H H 1 11.57 0.03 A 7 SER C C 13 176.96 0.3 A 7 SER CA C 13 61.01 0.3 A 7 SER CB C 13 65.07 0.3 A 7 SER N N 15 127.09 0.5 A 9 ALA H H 1 8.6 0.03 A 9 ALA C C 13 178.02 0.3 A 9 ALA CA C 13 55.8 0.3 A 9 ALA CB C 13 18.57 0.3 A 9 ALA N N 15 126.81 0.5 A 10 LEU H H 1 9.25 0.03 A 10 LEU C C 13 176.05 0.3 A 10 LEU CA C 13 55.38 0.3 A 10 LEU CB C 13 42.52 0.3 A 10 LEU CD1 C 13 26.44 0.3 A 10 LEU CD2 C 13 23.51 0.3 A 10 LEU CG C 13 27.2 0.3 A 10 LEU N N 15 114.76 0.5 stop_ save_ save_assigned_chemical_shifts_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_2 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 C 2 DGL CA C 13 34.97 0.3 C 2 DGL CB C 13 31.32 0.3 C 2 DGL CD C 13 180.31 0.3 C 2 DGL CG C 13 57.52 0.3 C 3 LYS CA C 13 57.3 0.3 C 3 LYS CB C 13 33.36 0.3 C 3 LYS CD C 13 29.67 0.3 C 3 LYS CE C 13 42.69 0.3 C 3 LYS CG C 13 25.35 0.3 H 4 DAL C C 13 176.86 0.3 H 4 DAL CA C 13 52.85 0.3 H 4 DAL CB C 13 19.82 0.3 L 1 MUB C1 C 13 97.91 0.3 L 1 MUB C10 C 13 178.4 0.3 L 1 MUB C11 C 13 21.59 0.3 L 1 MUB C2 C 13 56.52 0.3 L 1 MUB C3 C 13 81.47 0.3 L 1 MUB C4 C 13 73.24 0.3 L 1 MUB C5 C 13 76.11 0.3 L 1 MUB C6 C 13 62.43 0.3 L 1 MUB C7 C 13 176.51 0.3 L 1 MUB C8 C 13 25.47 0.3 L 1 MUB C9 C 13 81.27 0.3 L 2 NAG C1 C 13 101.4 0.3 L 2 NAG C2 C 13 58.83 0.3 L 2 NAG C3 C 13 76.29 0.3 L 2 NAG C4 C 13 73.33 0.3 L 2 NAG C5 C 13 76.06 0.3 L 2 NAG C6 C 13 64.1 0.3 L 2 NAG C7 C 13 176.51 0.3 L 2 NAG C8 C 13 25.47 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type square-well-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 J 2 NAG C1 L 1 MUB C2 1.0 1.5 6.0 2 2 J 2 NAG C1 L 1 MUB C9 1.0 1.5 6.0 3 3 J 2 NAG C2 L 1 MUB C1 1.0 1.5 6.0 4 4 J 2 NAG C2 L 1 MUB C6 1.0 1.5 6.0 5 5 L 1 MUB C1 J 2 NAG C5 1.0 1.5 6.0 6 6 L 1 MUB C2 J 2 NAG C5 1.0 1.5 6.0 7 7 L 1 MUB C6 J 2 NAG C5 1.0 1.5 6.0 8 8 L 1 MUB C2 J 2 NAG C6 1.0 1.5 6.0 9 9 J 2 NAG C1 L 1 MUB C4 1.0 1.5 6.0 10 9 J 2 NAG C1 J 2 NAG C4 1.0 1.5 6.0 11 10 J 2 NAG C5 L 1 MUB C3 1.0 1.5 6.0 12 10 J 2 NAG C5 L 1 MUB C11 1.0 1.5 6.0 13 11 L 1 MUB C4 L 1 MUB C8 1.0 1.5 6.0 14 11 L 1 MUB C4 J 2 NAG C8 1.0 1.5 6.0 15 11 J 2 NAG C4 L 1 MUB C8 1.0 1.5 6.0 16 11 J 2 NAG C4 J 2 NAG C8 1.0 1.5 6.0 17 12 L 1 MUB C1 J 2 NAG C4 1.0 1.5 6.0 18 12 L 1 MUB C1 L 1 MUB C4 1.0 1.5 6.0 19 13 L 1 MUB C9 J 2 NAG C4 1.0 1.5 6.0 20 13 L 1 MUB C9 L 1 MUB C4 1.0 1.5 6.0 21 14 J 2 NAG C1 L 1 MUB C11 1.0 1.5 6.0 22 14 J 2 NAG C1 L 1 MUB C3 1.0 1.5 6.0 23 15 J 2 NAG C2 L 1 MUB C11 1.0 1.5 6.0 24 15 J 2 NAG C2 L 1 MUB C3 1.0 1.5 6.0 25 16 J 2 NAG C6 L 1 MUB C11 1.0 1.5 6.0 26 16 J 2 NAG C6 L 1 MUB C3 1.0 1.5 6.0 27 17 L 1 MUB C3 J 2 NAG C7 1.0 1.5 6.0 28 17 L 1 MUB C11 J 2 NAG C7 1.0 1.5 6.0 29 18 J 2 NAG C1 L 1 MUB C2 1.0 1.5 6.0 30 19 J 2 NAG C1 L 1 MUB C9 1.0 1.5 6.0 31 20 J 2 NAG C2 L 1 MUB C1 1.0 1.5 6.0 32 21 J 2 NAG C2 L 1 MUB C6 1.0 1.5 6.0 33 22 L 1 MUB C1 J 2 NAG C5 1.0 1.5 6.0 34 23 L 1 MUB C2 J 2 NAG C5 1.0 1.5 6.0 35 24 L 1 MUB C6 J 2 NAG C5 1.0 1.5 6.0 36 25 L 1 MUB C2 J 2 NAG C6 1.0 1.5 6.0 37 26 J 2 NAG C1 J 2 NAG C4 1.0 1.5 6.0 38 26 J 2 NAG C1 L 1 MUB C4 1.0 1.5 6.0 39 27 J 2 NAG C5 L 1 MUB C3 1.0 1.5 6.0 40 27 J 2 NAG C5 L 1 MUB C11 1.0 1.5 6.0 41 28 J 2 NAG C4 L 1 MUB C8 1.0 1.5 6.0 42 28 L 1 MUB C4 L 1 MUB C8 1.0 1.5 6.0 43 28 J 2 NAG C4 J 2 NAG C8 1.0 1.5 6.0 44 28 L 1 MUB C4 J 2 NAG C8 1.0 1.5 6.0 45 29 L 1 MUB C1 J 2 NAG C4 1.0 1.5 6.0 46 29 L 1 MUB C1 L 1 MUB C4 1.0 1.5 6.0 47 30 L 1 MUB C9 J 2 NAG C4 1.0 1.5 6.0 48 30 L 1 MUB C9 L 1 MUB C4 1.0 1.5 6.0 49 31 J 2 NAG C1 L 1 MUB C11 1.0 1.5 6.0 50 31 J 2 NAG C1 L 1 MUB C3 1.0 1.5 6.0 51 32 J 2 NAG C2 L 1 MUB C11 1.0 1.5 6.0 52 32 J 2 NAG C2 L 1 MUB C3 1.0 1.5 6.0 53 33 J 2 NAG C6 L 1 MUB C11 1.0 1.5 6.0 54 33 J 2 NAG C6 L 1 MUB C3 1.0 1.5 6.0 55 34 L 1 MUB C3 J 2 NAG C7 1.0 1.5 6.0 56 34 L 1 MUB C11 J 2 NAG C7 1.0 1.5 6.0 57 35 J 2 NAG C1 L 1 MUB C2 1.0 1.5 6.0 58 36 J 2 NAG C1 L 1 MUB C9 1.0 1.5 6.0 59 37 J 2 NAG C2 L 1 MUB C1 1.0 1.5 6.0 60 38 J 2 NAG C2 L 1 MUB C6 1.0 1.5 6.0 61 39 L 1 MUB C1 J 2 NAG C5 1.0 1.5 6.0 62 40 L 1 MUB C2 J 2 NAG C5 1.0 1.5 6.0 63 41 L 1 MUB C6 J 2 NAG C5 1.0 1.5 6.0 64 42 L 1 MUB C2 J 2 NAG C6 1.0 1.5 6.0 65 43 J 2 NAG C1 L 1 MUB C4 1.0 1.5 6.0 66 43 J 2 NAG C1 J 2 NAG C4 1.0 1.5 6.0 67 44 J 2 NAG C5 L 1 MUB C3 1.0 1.5 6.0 68 44 J 2 NAG C5 L 1 MUB C11 1.0 1.5 6.0 69 45 J 2 NAG C4 L 1 MUB C8 1.0 1.5 6.0 70 45 L 1 MUB C4 J 2 NAG C8 1.0 1.5 6.0 71 45 J 2 NAG C4 J 2 NAG C8 1.0 1.5 6.0 72 45 L 1 MUB C4 L 1 MUB C8 1.0 1.5 6.0 73 46 L 1 MUB C1 J 2 NAG C4 1.0 1.5 6.0 74 46 L 1 MUB C1 L 1 MUB C4 1.0 1.5 6.0 75 47 L 1 MUB C9 J 2 NAG C4 1.0 1.5 6.0 76 47 L 1 MUB C9 L 1 MUB C4 1.0 1.5 6.0 77 48 J 2 NAG C1 L 1 MUB C11 1.0 1.5 6.0 78 48 J 2 NAG C1 L 1 MUB C3 1.0 1.5 6.0 79 49 J 2 NAG C2 L 1 MUB C11 1.0 1.5 6.0 80 49 J 2 NAG C2 L 1 MUB C3 1.0 1.5 6.0 81 50 J 2 NAG C6 L 1 MUB C11 1.0 1.5 6.0 82 50 J 2 NAG C6 L 1 MUB C3 1.0 1.5 6.0 83 51 L 1 MUB C3 J 2 NAG C7 1.0 1.5 6.0 84 51 L 1 MUB C11 J 2 NAG C7 1.0 1.5 6.0 85 52 J 2 NAG C1 L 1 MUB C2 1.0 1.5 6.0 86 53 J 2 NAG C1 L 1 MUB C9 1.0 1.5 6.0 87 54 J 2 NAG C2 L 1 MUB C1 1.0 1.5 6.0 88 55 J 2 NAG C2 L 1 MUB C6 1.0 1.5 6.0 89 56 L 1 MUB C1 J 2 NAG C5 1.0 1.5 6.0 90 57 L 1 MUB C2 J 2 NAG C5 1.0 1.5 6.0 91 58 L 1 MUB C6 J 2 NAG C5 1.0 1.5 6.0 92 59 L 1 MUB C2 J 2 NAG C6 1.0 1.5 6.0 93 60 J 2 NAG C1 J 2 NAG C4 1.0 1.5 6.0 94 60 J 2 NAG C1 L 1 MUB C4 1.0 1.5 6.0 95 61 J 2 NAG C5 L 1 MUB C3 1.0 1.5 6.0 96 61 J 2 NAG C5 L 1 MUB C11 1.0 1.5 6.0 97 62 J 2 NAG C4 L 1 MUB C8 1.0 1.5 6.0 98 62 L 1 MUB C4 J 2 NAG C8 1.0 1.5 6.0 99 62 L 1 MUB C4 L 1 MUB C8 1.0 1.5 6.0 100 62 J 2 NAG C4 J 2 NAG C8 1.0 1.5 6.0 101 63 L 1 MUB C1 J 2 NAG C4 1.0 1.5 6.0 102 63 L 1 MUB C1 L 1 MUB C4 1.0 1.5 6.0 103 64 L 1 MUB C9 J 2 NAG C4 1.0 1.5 6.0 104 64 L 1 MUB C9 L 1 MUB C4 1.0 1.5 6.0 105 65 J 2 NAG C1 L 1 MUB C3 1.0 1.5 6.0 106 65 J 2 NAG C1 L 1 MUB C11 1.0 1.5 6.0 107 66 J 2 NAG C2 L 1 MUB C11 1.0 1.5 6.0 108 66 J 2 NAG C2 L 1 MUB C3 1.0 1.5 6.0 109 67 J 2 NAG C6 L 1 MUB C11 1.0 1.5 6.0 110 67 J 2 NAG C6 L 1 MUB C3 1.0 1.5 6.0 111 68 L 1 MUB C3 J 2 NAG C7 1.0 1.5 6.0 112 68 L 1 MUB C11 J 2 NAG C7 1.0 1.5 6.0 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_