data_nef_c25820_2n7t 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 25814 PDB 2N7T 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 6 4J2 C 1 7 ARG N 1 9 LYS C 1 10 NH2 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 TRP middle . . 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 1.912 0.000 A 4 NLE H H 1 7.977 0.000 A 4 NLE HA H 1 5.021 0.000 A 4 NLE HBx H 1 1.521 0.000 A 4 NLE HBy H 1 1.665 0.000 A 4 NLE HDx H 1 1.159 0.000 A 4 NLE HDy H 1 1.159 0.000 A 4 NLE HE% H 1 0.371 0.000 A 4 NLE HGx H 1 0.636 0.000 A 4 NLE HGy H 1 0.836 0.000 A 5 ASP H H 1 8.807 0.001 A 5 ASP HA H 1 5.506 0.000 A 5 ASP HBx H 1 2.541 0.000 A 5 ASP HBy H 1 2.933 0.000 A 6 TRP H H 1 7.928 0.000 A 6 TRP HA H 1 3.959 0.000 A 6 TRP HBx H 1 3.063 0.000 A 6 TRP HBy H 1 3.101 0.030 A 6 TRP HD1 H 1 6.975 0.001 A 6 TRP HE1 H 1 10.677 0.000 A 6 TRP HE3 H 1 6.253 0.001 A 6 TRP HH2 H 1 7.001 0.000 A 6 TRP HZ2 H 1 7.420 0.000 A 6 TRP HZ3 H 1 6.661 0.000 A 7 PRO HA H 1 2.715 0.001 A 7 PRO HBx H 1 0.228 0.000 A 7 PRO HBy H 1 1.628 0.000 A 7 PRO HDx H 1 3.050 0.000 A 7 PRO HDy H 1 3.311 0.000 A 7 PRO HGx H 1 1.175 0.000 A 7 PRO HGy H 1 1.615 0.000 A 8 4J2 x H 1 8.868 0.000 A 8 4J2 HA H 1 4.844 0.000 A 8 4J2 HBy H 1 2.832 0.000 A 8 4J2 HB3 H 1 3.059 0.000 A 8 4J2 HD1 H 1 7.115 0.001 A 8 4J2 HD2 H 1 7.382 0.002 A 8 4J2 HE1 H 1 7.553 0.000 A 8 4J2 HE3 H 1 7.924 0.000 A 8 4J2 HE4 H 1 7.592 0.000 A 8 4J2 HZ2 H 1 7.887 0.000 A 8 4J2 HZ3 H 1 7.507 0.000 A 9 ARG H H 1 8.308 0.000 A 9 ARG HA H 1 4.726 0.000 A 9 ARG HBx H 1 1.674 0.000 A 9 ARG HBy H 1 1.876 0.000 A 9 ARG HDx H 1 3.157 0.000 A 9 ARG HDy H 1 3.157 0.000 A 9 ARG HE H 1 7.151 0.000 A 9 ARG HGx H 1 1.455 0.000 A 9 ARG HGy H 1 1.534 0.000 A 10 TRP H H 1 9.085 0.000 A 10 TRP HA H 1 5.171 0.000 A 10 TRP HBx H 1 3.148 0.000 A 10 TRP HBy H 1 3.389 0.000 A 10 TRP HD1 H 1 7.299 0.000 A 10 TRP HE1 H 1 10.671 0.000 A 10 TRP HE3 H 1 7.697 0.001 A 10 TRP HH2 H 1 7.078 0.000 A 10 TRP HZ2 H 1 7.498 0.000 A 10 TRP HZ3 H 1 6.962 0.001 A 11 LYS H H 1 8.689 0.000 A 11 LYS HA H 1 4.176 0.000 A 11 LYS HBx H 1 1.531 0.000 A 11 LYS HBy H 1 1.745 0.000 A 11 LYS HDx H 1 1.448 0.000 A 11 LYS HDy H 1 1.448 0.000 A 11 LYS HEx H 1 3.059 0.000 A 11 LYS HEy H 1 3.384 0.000 A 11 LYS HGx H 1 1.199 0.000 A 11 LYS HGy H 1 1.307 0.000 A 11 LYS HZ1 H 1 7.881 0.000 A 11 LYS HZ2 H 1 7.881 0.000 A 11 LYS HZ3 H 1 7.881 0.000 A 12 NH2 HNx H 1 6.497 0.000 A 12 NH2 HNy H 1 7.128 0.000 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 . 2.65 2 2 A 4 NLE HA A 10 TRP HA 1.0 . 3.17 3 3 A 4 NLE HA A 10 TRP HE3 1.0 . 4.17 4 4 A 11 LYS H A 4 NLE HA 1.0 . 3.39 5 5 A 4 NLE HBx A 5 ASP H 1.0 . 3.58 6 6 A 4 NLE HBx A 10 TRP HE3 1.0 . 4.97 7 7 A 4 NLE HBy A 5 ASP H 1.0 . 3.58 8 8 A 4 NLE HBy A 10 TRP HE3 1.0 . 4.97 9 9 A 5 ASP H A 5 ASP HBx 1.0 . 3.52 10 10 A 5 ASP H A 5 ASP HBy 1.0 . 3.52 11 11 A 5 ASP H A 5 ASP HBx 1.0 . 2.98 12 11 A 5 ASP H A 5 ASP HBy 1.0 . 2.98 13 12 A 5 ASP H A 10 TRP HA 1.0 . 3.89 14 13 A 11 LYS H A 5 ASP H 1.0 . 3.89 15 14 A 5 ASP H A 11 LYS HZ% 1.0 . 4.88 16 15 A 11 LYS HZ% A 5 ASP HA 1.0 . 4.72 17 16 A 11 LYS HZ% A 5 ASP HBx 1.0 . 3.48 18 17 A 5 ASP HBy A 11 LYS HZ% 1.0 . 3.48 19 18 A 11 LYS HZ% A 5 ASP HBx 1.0 . 2.90 20 18 A 5 ASP HBy A 11 LYS HZ% 1.0 . 2.90 21 19 A 6 TRP H A 6 TRP HBx 1.0 . 3.62 22 19 A 6 TRP H A 6 TRP HBy 1.0 . 3.62 23 20 A 6 TRP HA A 6 TRP HD1 1.0 . 4.97 24 21 A 6 TRP HA A 6 TRP HE3 1.0 . 3.70 25 22 A 6 TRP HA A 7 PRO HA 1.0 . 2.59 26 23 A 6 TRP HA A 9 ARG H 1.0 . 4.17 27 24 A 6 TRP HD1 A 6 TRP HBx 1.0 . 3.39 28 24 A 6 TRP HBy A 6 TRP HD1 1.0 . 3.39 29 25 A 6 TRP HE3 A 6 TRP HBx 1.0 . 3.61 30 25 A 6 TRP HBy A 6 TRP HE3 1.0 . 3.61 31 26 A 6 TRP HD1 A 7 PRO HA 1.0 . 4.66 32 27 A 6 TRP HD1 A 7 PRO HBx 1.0 . 5.04 33 28 A 6 TRP HD1 A 7 PRO HBy 1.0 . 5.04 34 29 A 6 TRP HD1 A 7 PRO HBx 1.0 . 4.38 35 29 A 6 TRP HD1 A 7 PRO HBy 1.0 . 4.38 36 30 A 6 TRP HD1 A 7 PRO HDx 1.0 . 4.23 37 30 A 6 TRP HD1 A 7 PRO HDy 1.0 . 4.23 38 31 A 6 TRP HE3 A 7 PRO HA 1.0 . 3.92 39 32 A 9 ARG H A 9 ARG HBx 1.0 . 3.11 40 33 A 9 ARG H A 9 ARG HBy 1.0 . 3.52 41 34 A 9 ARG H A 9 ARG HGx 1.0 . 4.72 42 35 A 9 ARG H A 9 ARG HGy 1.0 . 4.72 43 36 A 9 ARG H A 9 ARG HGy 1.0 . 4.15 44 36 A 9 ARG H A 9 ARG HGx 1.0 . 4.15 45 37 A 9 ARG H A 10 TRP H 1.0 . 4.23 46 38 A 10 TRP H A 9 ARG HA 1.0 . 2.68 47 39 A 9 ARG HBx A 10 TRP H 1.0 . 3.73 48 40 A 9 ARG HBy A 10 TRP H 1.0 . 3.48 49 41 A 10 TRP H A 10 TRP HBx 1.0 . 3.11 50 42 A 10 TRP H A 10 TRP HBy 1.0 . 3.11 51 43 A 10 TRP H A 10 TRP HD1 1.0 . 4.42 52 44 A 10 TRP HE3 A 10 TRP H 1.0 . 5.50 53 45 A 11 LYS H A 10 TRP H 1.0 . 4.57 54 46 A 10 TRP HA A 10 TRP HD1 1.0 . 4.82 55 47 A 10 TRP HA A 10 TRP HE3 1.0 . 2.96 56 48 A 11 LYS H A 10 TRP HA 1.0 . 2.65 57 49 A 10 TRP HD1 A 10 TRP HBx 1.0 . 3.39 58 50 A 10 TRP HE3 A 10 TRP HBx 1.0 . 3.89 59 51 A 11 LYS H A 10 TRP HBx 1.0 . 4.11 60 52 A 10 TRP HD1 A 10 TRP HBy 1.0 . 3.39 61 53 A 10 TRP HE3 A 10 TRP HBy 1.0 . 3.89 62 54 A 11 LYS H A 10 TRP HBy 1.0 . 4.11 63 55 A 10 TRP HD1 A 10 TRP HBy 1.0 . 2.95 64 55 A 10 TRP HD1 A 10 TRP HBx 1.0 . 2.95 65 56 A 11 LYS H A 10 TRP HE3 1.0 . 4.26 66 57 A 11 LYS H A 11 LYS HBx 1.0 . 3.45 67 58 A 11 LYS H A 11 LYS HBy 1.0 . 3.45 68 59 A 11 LYS H A 11 LYS HBx 1.0 . 2.88 69 59 A 11 LYS H A 11 LYS HBy 1.0 . 2.88 70 60 A 11 LYS H A 11 LYS HGx 1.0 . 4.38 71 61 A 11 LYS H A 11 LYS HGy 1.0 . 4.38 72 62 A 11 LYS H A 11 LYS HGx 1.0 . 3.78 73 62 A 11 LYS H A 11 LYS HGy 1.0 . 3.78 74 63 A 11 LYS HA A 11 LYS HBx 1.0 . 2.96 75 64 A 11 LYS HBy A 11 LYS HA 1.0 . 2.96 76 65 A 11 LYS HA A 11 LYS HBx 1.0 . 2.57 77 65 A 11 LYS HBy A 11 LYS HA 1.0 . 2.57 78 66 A 11 LYS HA A 11 LYS HGx 1.0 . 4.01 79 67 A 11 LYS HGy A 11 LYS HA 1.0 . 4.01 80 68 A 11 LYS HA A 11 LYS HGx 1.0 . 3.38 81 68 A 11 LYS HGy A 11 LYS HA 1.0 . 3.38 82 69 A 11 LYS HA A 11 LYS HDx 1.0 . 5.91 83 69 A 11 LYS HA A 11 LYS HDy 1.0 . 5.91 84 70 A 11 LYS HZ% A 11 LYS HGx 1.0 . 4.51 85 71 A 11 LYS HZ% A 11 LYS HGy 1.0 . 4.51 86 72 A 11 LYS HEx A 11 LYS HGx 1.0 . 3.24 87 72 A 11 LYS HGy A 11 LYS HEx 1.0 . 3.24 88 72 A 11 LYS HGy A 11 LYS HEy 1.0 . 3.24 89 72 A 11 LYS HEy A 11 LYS HGx 1.0 . 3.24 stop_ save_