data_nef_c25814_2n7o 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 BMRB 25813 BMRB 25820 PDB 2N7O 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 1 ACE C 1 2 NLE N 1 2 NLE C 1 3 ASP N 1 9 LYS C 1 10 NH2 N 1 6 4J2 C 1 7 ARG N 1 5 PRO C 1 6 4J2 N 1 3 ASP CG 1 9 LYS NZ 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 3 ACE start . . 2 A 4 NLE middle . . 3 A 5 ASP middle . . 4 A 6 PRO middle . false 5 A 7 PRO middle . true 6 A 8 4J2 middle . . 7 A 9 ARG middle . . 8 A 10 TRP middle . . 9 A 11 LYS middle . . 10 A 12 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 3 ACE H% H 1 1.856 0.000 A 4 NLE H H 1 7.908 0.000 A 4 NLE HA H 1 5.122 0.000 A 4 NLE HBx H 1 1.560 0.000 A 4 NLE HBy H 1 1.634 0.000 A 4 NLE HDx H 1 1.218 0.000 A 4 NLE HDy H 1 1.218 0.000 A 4 NLE HE% H 1 0.408 0.000 A 4 NLE HGx H 1 0.779 0.000 A 4 NLE HGy H 1 0.851 0.000 A 5 ASP H H 1 8.842 0.000 A 5 ASP HA H 1 5.560 0.000 A 5 ASP HBx H 1 2.425 0.000 A 5 ASP HBy H 1 2.791 0.000 A 6 PRO HA H 1 3.816 0.000 A 6 PRO HBx H 1 1.713 0.000 A 6 PRO HBy H 1 1.886 0.000 A 6 PRO HDx H 1 3.762 0.000 A 6 PRO HDy H 1 3.933 0.000 A 6 PRO HGx H 1 1.618 0.000 A 6 PRO HGy H 1 2.071 0.000 A 7 PRO HA H 1 4.208 0.000 A 7 PRO HBx H 1 1.708 0.000 A 7 PRO HBy H 1 2.428 0.003 A 7 PRO HDx H 1 3.255 0.001 A 7 PRO HDy H 1 3.461 0.000 A 7 PRO HGx H 1 1.512 0.001 A 7 PRO HGy H 1 1.970 0.001 A 8 4J2 x H 1 8.828 0.002 A 8 4J2 HA H 1 4.922 0.000 A 8 4J2 HBy H 1 3.004 0.000 A 8 4J2 HB3 H 1 3.107 0.000 A 8 4J2 HD1 H 1 7.167 0.001 A 8 4J2 HD2 H 1 7.418 0.001 A 8 4J2 HE1 H 1 7.598 0.000 A 8 4J2 HZ2 H 1 7.768 0.001 A 9 ARG H H 1 8.578 0.000 A 9 ARG HA H 1 4.787 0.000 A 9 ARG HBy H 1 1.907 0.000 A 9 ARG HBx H 1 1.707 0.000 A 9 ARG HDx H 1 3.240 0.000 A 9 ARG HDy H 1 3.240 0.000 A 9 ARG HE H 1 7.379 0.000 A 9 ARG HGy H 1 1.582 0.000 A 9 ARG HGx H 1 1.485 0.000 A 10 TRP H H 1 9.149 0.001 A 10 TRP HA H 1 5.266 0.000 A 10 TRP HBy H 1 3.401 0.000 A 10 TRP HBx H 1 3.174 0.000 A 10 TRP HD1 H 1 7.275 0.001 A 10 TRP HE1 H 1 10.677 0.000 A 10 TRP HE3 H 1 7.697 0.000 A 10 TRP HH2 H 1 7.072 0.000 A 10 TRP HZ2 H 1 7.487 0.000 A 10 TRP HZ3 H 1 6.947 0.001 A 11 LYS H H 1 8.729 0.001 A 11 LYS HA H 1 4.107 0.000 A 11 LYS HBx H 1 1.481 0.000 A 11 LYS HBy H 1 1.685 0.000 A 11 LYS HDx H 1 1.451 0.000 A 11 LYS HDy H 1 1.451 0.000 A 11 LYS HEx H 1 2.960 0.000 A 11 LYS HEy H 1 3.423 0.000 A 11 LYS HGx H 1 1.172 0.000 A 11 LYS HGy H 1 1.275 0.000 A 11 LYS HZ1 H 1 7.960 0.000 A 11 LYS HZ2 H 1 7.960 0.000 A 11 LYS HZ3 H 1 7.960 0.000 A 12 NH2 HNx H 1 6.011 0.000 A 12 NH2 HNy H 1 7.090 0.001 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 5 ASP H A 4 NLE HA 1.0 . 2.71 2 2 A 4 NLE HA A 10 TRP HE3 1.0 . 4.42 3 3 A 11 LYS H A 4 NLE HA 1.0 . 3.42 4 4 A 4 NLE HBx A 5 ASP H 1.0 . 3.64 5 5 A 4 NLE HBy A 5 ASP H 1.0 . 3.64 6 6 A 5 ASP H A 5 ASP HBx 1.0 . 3.42 7 7 A 5 ASP H A 5 ASP HBy 1.0 . 3.42 8 8 A 5 ASP H A 5 ASP HBx 1.0 . 2.92 9 8 A 5 ASP H A 5 ASP HBy 1.0 . 2.92 10 9 A 11 LYS H A 5 ASP H 1.0 . 3.98 11 10 A 5 ASP H A 11 LYS HZ% 1.0 . 4.51 12 11 A 5 ASP HA A 6 PRO HDx 1.0 . 3.36 13 12 A 5 ASP HA A 6 PRO HDy 1.0 . 3.36 14 13 A 11 LYS HZ% A 5 ASP HA 1.0 . 4.97 15 14 A 11 LYS HZ% A 5 ASP HBx 1.0 . 3.52 16 15 A 5 ASP HBy A 11 LYS HZ% 1.0 . 3.52 17 16 A 5 ASP HBx A 6 PRO HDx 1.0 . 3.81 18 16 A 6 PRO HDy A 5 ASP HBx 1.0 . 3.81 19 16 A 5 ASP HBy A 6 PRO HDy 1.0 . 3.81 20 16 A 5 ASP HBy A 6 PRO HDx 1.0 . 3.81 21 17 A 11 LYS HZ% A 5 ASP HBx 1.0 . 3.03 22 17 A 5 ASP HBy A 11 LYS HZ% 1.0 . 3.03 23 18 A 6 PRO HA A 7 PRO HA 1.0 . 2.65 24 19 A 6 PRO HA A 9 ARG H 1.0 . 3.79 25 20 A 9 ARG H A 9 ARG HBy 1.0 . 3.52 26 21 A 9 ARG H A 9 ARG HBx 1.0 . 3.52 27 22 A 9 ARG H A 9 ARG HBx 1.0 . 3.04 28 22 A 9 ARG H A 9 ARG HBy 1.0 . 3.04 29 23 A 9 ARG H A 9 ARG HGy 1.0 . 4.76 30 24 A 9 ARG H A 9 ARG HGx 1.0 . 4.76 31 25 A 9 ARG H A 10 TRP H 1.0 . 4.82 32 26 A 10 TRP H A 9 ARG HA 1.0 . 2.99 33 27 A 9 ARG HBy A 10 TRP H 1.0 . 3.67 34 28 A 10 TRP H A 9 ARG HBx 1.0 . 3.67 35 29 A 10 TRP H A 9 ARG HBx 1.0 . 3.16 36 29 A 9 ARG HBy A 10 TRP H 1.0 . 3.16 37 30 A 10 TRP H A 10 TRP HBy 1.0 . 3.08 38 31 A 10 TRP H A 10 TRP HBx 1.0 . 3.08 39 32 A 10 TRP H A 10 TRP HD1 1.0 . 4.26 40 33 A 10 TRP HE3 A 10 TRP H 1.0 . 5.38 41 34 A 11 LYS H A 10 TRP H 1.0 . 4.14 42 35 A 10 TRP HD1 A 10 TRP HA 1.0 . 4.76 43 36 A 10 TRP HE3 A 10 TRP HA 1.0 . 3.14 44 37 A 11 LYS H A 10 TRP HA 1.0 . 2.77 45 38 A 10 TRP HD1 A 10 TRP HBy 1.0 . 3.67 46 39 A 10 TRP HE3 A 10 TRP HBy 1.0 . 4.04 47 40 A 11 LYS H A 10 TRP HBy 1.0 . 3.86 48 41 A 10 TRP HD1 A 10 TRP HBx 1.0 . 3.67 49 42 A 10 TRP HE3 A 10 TRP HBx 1.0 . 4.04 50 43 A 11 LYS H A 10 TRP HBx 1.0 . 3.86 51 44 A 10 TRP HD1 A 10 TRP HBx 1.0 . 3.14 52 44 A 10 TRP HD1 A 10 TRP HBy 1.0 . 3.14 53 45 A 11 LYS H A 10 TRP HD1 1.0 . 5.13 54 46 A 11 LYS H A 10 TRP HE3 1.0 . 4.01 55 47 A 11 LYS H A 11 LYS HBx 1.0 . 3.39 56 48 A 11 LYS H A 11 LYS HBy 1.0 . 3.39 57 49 A 11 LYS H A 11 LYS HBx 1.0 . 2.93 58 49 A 11 LYS H A 11 LYS HBy 1.0 . 2.93 59 50 A 11 LYS H A 11 LYS HGx 1.0 . 4.23 60 51 A 11 LYS H A 11 LYS HGy 1.0 . 4.23 61 52 A 11 LYS H A 11 LYS HDx 1.0 . 6.38 62 52 A 11 LYS H A 11 LYS HDy 1.0 . 6.38 63 53 A 11 LYS HA A 11 LYS HGx 1.0 . 3.72 64 53 A 11 LYS HA A 11 LYS HGy 1.0 . 3.72 65 54 A 11 LYS HA A 11 LYS HDx 1.0 . 5.79 66 54 A 11 LYS HDy A 11 LYS HA 1.0 . 5.79 67 55 A 11 LYS HZ% A 11 LYS HGx 1.0 . 4.51 68 56 A 11 LYS HZ% A 11 LYS HGy 1.0 . 4.51 stop_ save_