data_nef_6a8y

save_entry_information
# 
_Entry.Sf_category        entry_information 
_Entry.Sf_framecode       entry_information 
_Entry.ID                 6A8Y 
_Entry.Assigned_BMRB_ID   36200 
# 
loop_
_Data_set.Type 
_Data_set.Count 
_Data_set.Entry_ID 
assigned_chemical_shifts  1 6A8Y 
torsion_angle_constraints 1 6A8Y 
stop_
save_
save_assembly
# 
_Assembly.Sf_category                       assembly 
_Assembly.Sf_framecode                      assembly 
_Assembly.Entry_ID                          6A8Y 
_Assembly.ID                                1 
_Assembly.Name                              'YR26_SDS (E.C.3.4.21.75)' 
_Assembly.BMRB_code                         . 
_Assembly.Number_of_components              1 
_Assembly.Organic_ligands                   . 
_Assembly.Metal_ions                        . 
_Assembly.Non_standard_bonds                . 
_Assembly.Ambiguous_conformational_states   . 
_Assembly.Ambiguous_chem_comp_sites         . 
_Assembly.Molecules_in_chemical_exchange    . 
_Assembly.Paramagnetic                      no 
_Assembly.Thiol_state                       'not present' 
_Assembly.Molecular_mass                    3369.870 
_Assembly.Enzyme_commission_number          3.4.21.75 
_Assembly.Details                           . 
_Assembly.DB_query_date                     . 
_Assembly.DB_query_revised_last_date        . 
# 
loop_
_Entity_assembly.ID 
_Entity_assembly.Entity_assembly_name 
_Entity_assembly.Entity_ID 
_Entity_assembly.Entity_label 
_Entity_assembly.Asym_ID 
_Entity_assembly.PDB_chain_ID 
_Entity_assembly.Experimental_data_reported 
_Entity_assembly.Physical_state 
_Entity_assembly.Conformational_isomer 
_Entity_assembly.Chemical_exchange_state 
_Entity_assembly.Magnetic_equivalence_group_code 
_Entity_assembly.Role 
_Entity_assembly.Details 
_Entity_assembly.Entry_ID 
_Entity_assembly.Assembly_ID 
1 entity_1 1 '$entity_1' A A yes . . . . 'Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE' ? 6A8Y 1 
stop_
# 
loop_
_Chem_comp_assembly.Entity_assembly_ID 
_Chem_comp_assembly.Entity_ID 
_Chem_comp_assembly.Comp_index_ID 
_Chem_comp_assembly.Comp_ID 
_Chem_comp_assembly.Seq_ID 
_Chem_comp_assembly.Auth_asym_ID 
_Chem_comp_assembly.Auth_seq_ID 
_Chem_comp_assembly.Auth_comp_ID 
_Chem_comp_assembly.Auth_variant_ID 
_Chem_comp_assembly.Sequence_linking 
_Chem_comp_assembly.Cis_residue 
_Chem_comp_assembly.Entry_ID 
_Chem_comp_assembly.Assembly_ID 
1 1 1  TYR 1  A 1  TYR . start  .  6A8Y 1 
1 1 2  TYR 2  A 2  TYR . middle .  6A8Y 1 
1 1 3  HIS 3  A 3  HIS . middle .  6A8Y 1 
1 1 4  PHE 4  A 4  PHE . middle .  6A8Y 1 
1 1 5  TRP 5  A 5  TRP . middle .  6A8Y 1 
1 1 6  HIS 6  A 6  HIS . middle .  6A8Y 1 
1 1 7  ARG 7  A 7  ARG . middle .  6A8Y 1 
1 1 8  GLY 8  A 8  GLY . middle no 6A8Y 1 
1 1 9  VAL 9  A 9  VAL . middle .  6A8Y 1 
1 1 10 THR 10 A 10 THR . middle .  6A8Y 1 
1 1 11 LYS 11 A 11 LYS . middle .  6A8Y 1 
1 1 12 ARG 12 A 12 ARG . middle .  6A8Y 1 
1 1 13 SER 13 A 13 SER . middle .  6A8Y 1 
1 1 14 LEU 14 A 14 LEU . middle .  6A8Y 1 
1 1 15 SER 15 A 15 SER . middle .  6A8Y 1 
1 1 16 PRO 16 A 16 PRO . middle no 6A8Y 1 
1 1 17 HIS 17 A 17 HIS . middle .  6A8Y 1 
1 1 18 ARG 18 A 18 ARG . middle .  6A8Y 1 
1 1 19 PRO 19 A 19 PRO . middle no 6A8Y 1 
1 1 20 ARG 20 A 20 ARG . middle .  6A8Y 1 
1 1 21 HIS 21 A 21 HIS . middle .  6A8Y 1 
1 1 22 SER 22 A 22 SER . middle .  6A8Y 1 
1 1 23 ARG 23 A 23 ARG . middle .  6A8Y 1 
1 1 24 LEU 24 A 24 LEU . middle .  6A8Y 1 
1 1 25 GLN 25 A 25 GLN . middle .  6A8Y 1 
1 1 26 ARG 26 A 26 ARG . end    .  6A8Y 1 
stop_
save_
save_entity_1
# 
_Entity.Sf_category                       entity 
_Entity.Sf_framecode                      entity_1 
_Entity.Entry_ID                          6A8Y 
_Entity.ID                                1 
_Entity.BMRB_code                         . 
_Entity.Name                              YR26_SDS 
_Entity.Type                              polymer 
_Entity.Polymer_common_type               protein 
_Entity.Polymer_type                      'polypeptide(L)' 
_Entity.Polymer_type_details              . 
_Entity.Polymer_strand_ID                 A 
_Entity.Polymer_seq_one_letter_code_can   YYHFWHRGVTKRSLSPHRPRHSRLQR 
_Entity.Polymer_seq_one_letter_code       YYHFWHRGVTKRSLSPHRPRHSRLQR 
_Entity.Target_identifier                 . 
_Entity.Polymer_author_defined_seq        . 
_Entity.Polymer_author_seq_details        . 
_Entity.Ambiguous_conformational_states   . 
_Entity.Ambiguous_chem_comp_sites         . 
_Entity.Nstd_monomer                      no 
_Entity.Nstd_chirality                    . 
_Entity.Nstd_linkage                      no 
_Entity.Nonpolymer_comp_ID                . 
_Entity.Nonpolymer_comp_label             . 
_Entity.Number_of_monomers                26 
_Entity.Number_of_nonpolymer_components   . 
_Entity.Paramagnetic                      no 
_Entity.Thiol_state                       'not present' 
_Entity.Src_method                        man 
_Entity.Parent_entity_ID                  . 
_Entity.Fragment                          ? 
_Entity.Mutation                          ? 
_Entity.EC_number                         3.4.21.75 
_Entity.Calc_isoelectric_point            . 
_Entity.Formula_weight                    3369.87 
_Entity.Formula_weight_exptl              . 
_Entity.Formula_weight_exptl_meth         . 
_Entity.Details                           ? 
_Entity.DB_query_date                     . 
_Entity.DB_query_revised_last_date        . 
# 
loop_
_Entity_common_name.Name 
_Entity_common_name.Type 
_Entity_common_name.Entry_ID 
_Entity_common_name.Entity_ID 
'Dibasic-processing enzyme,Paired basic amino acid residue-cleaving enzyme,PACE' common 6A8Y 1 
stop_
# 
loop_
_Entity_comp_index.ID 
_Entity_comp_index.Auth_seq_ID 
_Entity_comp_index.Comp_ID 
_Entity_comp_index.Comp_label 
_Entity_comp_index.Entry_ID 
_Entity_comp_index.Entity_ID 
1  1  TYR . 6A8Y 1 
2  2  TYR . 6A8Y 1 
3  3  HIS . 6A8Y 1 
4  4  PHE . 6A8Y 1 
5  5  TRP . 6A8Y 1 
6  6  HIS . 6A8Y 1 
7  7  ARG . 6A8Y 1 
8  8  GLY . 6A8Y 1 
9  9  VAL . 6A8Y 1 
10 10 THR . 6A8Y 1 
11 11 LYS . 6A8Y 1 
12 12 ARG . 6A8Y 1 
13 13 SER . 6A8Y 1 
14 14 LEU . 6A8Y 1 
15 15 SER . 6A8Y 1 
16 16 PRO . 6A8Y 1 
17 17 HIS . 6A8Y 1 
18 18 ARG . 6A8Y 1 
19 19 PRO . 6A8Y 1 
20 20 ARG . 6A8Y 1 
21 21 HIS . 6A8Y 1 
22 22 SER . 6A8Y 1 
23 23 ARG . 6A8Y 1 
24 24 LEU . 6A8Y 1 
25 25 GLN . 6A8Y 1 
26 26 ARG . 6A8Y 1 
stop_
# 
loop_
_Entity_poly_seq.Hetero 
_Entity_poly_seq.Mon_ID 
_Entity_poly_seq.Num 
_Entity_poly_seq.Comp_index_ID 
_Entity_poly_seq.Entry_ID 
_Entity_poly_seq.Entity_ID 
. TYR 1  1  6A8Y 1 
. TYR 2  2  6A8Y 1 
. HIS 3  3  6A8Y 1 
. PHE 4  4  6A8Y 1 
. TRP 5  5  6A8Y 1 
. HIS 6  6  6A8Y 1 
. ARG 7  7  6A8Y 1 
. GLY 8  8  6A8Y 1 
. VAL 9  9  6A8Y 1 
. THR 10 10 6A8Y 1 
. LYS 11 11 6A8Y 1 
. ARG 12 12 6A8Y 1 
. SER 13 13 6A8Y 1 
. LEU 14 14 6A8Y 1 
. SER 15 15 6A8Y 1 
. PRO 16 16 6A8Y 1 
. HIS 17 17 6A8Y 1 
. ARG 18 18 6A8Y 1 
. PRO 19 19 6A8Y 1 
. ARG 20 20 6A8Y 1 
. HIS 21 21 6A8Y 1 
. SER 22 22 6A8Y 1 
. ARG 23 23 6A8Y 1 
. LEU 24 24 6A8Y 1 
. GLN 25 25 6A8Y 1 
. ARG 26 26 6A8Y 1 
stop_
save_
save_Chemical_shift_ref_1
# 
_Chem_shift_reference.Sf_category    chem_shift_reference 
_Chem_shift_reference.Sf_framecode   Chemical_shift_ref_1 
_Chem_shift_reference.Entry_ID       6A8Y 
_Chem_shift_reference.ID             1 
# 
loop_
_Chem_shift_ref.Atom_type 
_Chem_shift_ref.Atom_isotope_number 
_Chem_shift_ref.Mol_common_name 
_Chem_shift_ref.Atom_group 
_Chem_shift_ref.Concentration_val 
_Chem_shift_ref.Concentration_units 
_Chem_shift_ref.Solvent 
_Chem_shift_ref.Rank 
_Chem_shift_ref.Chem_shift_units 
_Chem_shift_ref.Chem_shift_val 
_Chem_shift_ref.Ref_method 
_Chem_shift_ref.Ref_type 
_Chem_shift_ref.Indirect_shift_ratio 
_Chem_shift_ref.Entry_ID 
_Chem_shift_ref.Chem_shift_reference_ID 
H 1  DSS 'methyl protons' . . . . ppm 0.000 internal direct   1.0        6A8Y 1 
N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 6A8Y 1 
C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 6A8Y 1 
stop_
save_
save_YR26_SDS.NMR-STAR
# 
_Assigned_chem_shift_list.Sf_category      assigned_chemical_shifts 
_Assigned_chem_shift_list.Sf_framecode     YR26_SDS.NMR-STAR 
_Assigned_chem_shift_list.Entry_ID         6A8Y 
_Assigned_chem_shift_list.ID               1 
_Assigned_chem_shift_list.Data_file_name   6a8y_cs.str 
# 
loop_
_Atom_chem_shift.ID 
_Atom_chem_shift.Entity_assembly_ID 
_Atom_chem_shift.Entity_ID 
_Atom_chem_shift.Comp_index_ID 
_Atom_chem_shift.Seq_ID 
_Atom_chem_shift.Comp_ID 
_Atom_chem_shift.Atom_ID 
_Atom_chem_shift.Atom_type 
_Atom_chem_shift.Atom_isotope_number 
_Atom_chem_shift.Val 
_Atom_chem_shift.Val_err 
_Atom_chem_shift.Assign_fig_of_merit 
_Atom_chem_shift.Ambiguity_code 
_Atom_chem_shift.Ambiguity_set_ID 
_Atom_chem_shift.Occupancy 
_Atom_chem_shift.Resonance_ID 
_Atom_chem_shift.Auth_asym_ID 
_Atom_chem_shift.Auth_seq_ID 
_Atom_chem_shift.Auth_comp_ID 
_Atom_chem_shift.Auth_atom_ID 
_Atom_chem_shift.Original_PDB_strand_ID 
_Atom_chem_shift.Original_PDB_residue_no 
_Atom_chem_shift.Original_PDB_residue_name 
_Atom_chem_shift.Original_PDB_atom_name 
_Atom_chem_shift.Details 
_Atom_chem_shift.Entry_ID 
_Atom_chem_shift.Assigned_chem_shift_list_ID 
1  1 1 2  2  TYR H   H 1  8.38  0.005 . 1 . . . A 2  TYR H   A 2  TYR H   . 6A8Y 1 
2  1 1 2  2  TYR HA  H 1  4.42  0.005 . 1 . . . A 2  TYR HA  A 2  TYR HA  . 6A8Y 1 
3  1 1 2  2  TYR N   N 15 119.5 0.005 . 1 . . . A 2  TYR N   A 2  TYR N   . 6A8Y 1 
4  1 1 3  3  HIS H   H 1  8.03  0.005 . 1 . . . A 3  HIS H   A 3  HIS H   . 6A8Y 1 
5  1 1 3  3  HIS HA  H 1  4.32  0.005 . 1 . . . A 3  HIS HA  A 3  HIS HA  . 6A8Y 1 
6  1 1 3  3  HIS N   N 15 117.0 0.005 . 1 . . . A 3  HIS N   A 3  HIS N   . 6A8Y 1 
7  1 1 3  3  HIS CA  C 13 55.02 0.005 . 1 . . . A 3  HIS CA  A 3  HIS CA  . 6A8Y 1 
8  1 1 4  4  PHE H   H 1  7.66  0.005 . 1 . . . A 4  PHE H   A 4  PHE H   . 6A8Y 1 
9  1 1 4  4  PHE HA  H 1  4.52  0.005 . 1 . . . A 4  PHE HA  A 4  PHE HA  . 6A8Y 1 
10 1 1 4  4  PHE N   N 15 118.7 0.005 . 1 . . . A 4  PHE N   A 4  PHE N   . 6A8Y 1 
11 1 1 5  5  TRP H   H 1  7.37  0.005 . 1 . . . A 5  TRP H   A 5  TRP H   . 6A8Y 1 
12 1 1 5  5  TRP HA  H 1  4.63  0.005 . 1 . . . A 5  TRP HA  A 5  TRP HA  . 6A8Y 1 
13 1 1 5  5  TRP N   N 15 119.9 0.005 . 1 . . . A 5  TRP N   A 5  TRP N   . 6A8Y 1 
14 1 1 6  6  HIS H   H 1  7.84  0.005 . 1 . . . A 6  HIS H   A 6  HIS H   . 6A8Y 1 
15 1 1 6  6  HIS HA  H 1  4.37  0.005 . 1 . . . A 6  HIS HA  A 6  HIS HA  . 6A8Y 1 
16 1 1 6  6  HIS N   N 15 117.5 0.005 . 1 . . . A 6  HIS N   A 6  HIS N   . 6A8Y 1 
17 1 1 6  6  HIS CA  C 13 55.71 0.005 . 1 . . . A 6  HIS CA  A 6  HIS CA  . 6A8Y 1 
18 1 1 7  7  ARG H   H 1  7.82  0.005 . 1 . . . A 7  ARG H   A 7  ARG H   . 6A8Y 1 
19 1 1 7  7  ARG HA  H 1  4.25  0.005 . 1 . . . A 7  ARG HA  A 7  ARG HA  . 6A8Y 1 
20 1 1 7  7  ARG N   N 15 120.0 0.005 . 1 . . . A 7  ARG N   A 7  ARG N   . 6A8Y 1 
21 1 1 7  7  ARG CA  C 13 56.71 0.005 . 1 . . . A 7  ARG CA  A 7  ARG CA  . 6A8Y 1 
22 1 1 8  8  GLY HA2 H 1  4.05  0.005 . 1 . . . A 8  GLY HA2 A 8  GLY 2HA . 6A8Y 1 
23 1 1 8  8  GLY HA3 H 1  4.05  0.005 . 1 . . . A 8  GLY HA3 A 8  GLY 3HA . 6A8Y 1 
24 1 1 8  8  GLY H   H 1  8.36  0.005 . 1 . . . A 8  GLY H   A 8  GLY H   . 6A8Y 1 
25 1 1 8  8  GLY N   N 15 109.7 0.005 . 1 . . . A 8  GLY N   A 8  GLY N   . 6A8Y 1 
26 1 1 8  8  GLY CA  C 13 45.60 0.005 . 1 . . . A 8  GLY CA  A 8  GLY CA  . 6A8Y 1 
27 1 1 9  9  VAL H   H 1  7.86  0.005 . 1 . . . A 9  VAL H   A 9  VAL H   . 6A8Y 1 
28 1 1 9  9  VAL HA  H 1  4.05  0.005 . 1 . . . A 9  VAL HA  A 9  VAL HA  . 6A8Y 1 
29 1 1 9  9  VAL N   N 15 118.6 0.005 . 1 . . . A 9  VAL N   A 9  VAL N   . 6A8Y 1 
30 1 1 9  9  VAL CA  C 13 62.83 0.005 . 1 . . . A 9  VAL CA  A 9  VAL CA  . 6A8Y 1 
31 1 1 10 10 THR H   H 1  7.99  0.005 . 1 . . . A 10 THR H   A 10 THR H   . 6A8Y 1 
32 1 1 10 10 THR HA  H 1  4.45  0.005 . 1 . . . A 10 THR HA  A 10 THR HA  . 6A8Y 1 
33 1 1 10 10 THR N   N 15 115.4 0.005 . 1 . . . A 10 THR N   A 10 THR N   . 6A8Y 1 
34 1 1 11 11 LYS H   H 1  8.21  0.005 . 1 . . . A 11 LYS H   A 11 LYS H   . 6A8Y 1 
35 1 1 11 11 LYS HA  H 1  4.34  0.005 . 1 . . . A 11 LYS HA  A 11 LYS HA  . 6A8Y 1 
36 1 1 11 11 LYS N   N 15 122.5 0.005 . 1 . . . A 11 LYS N   A 11 LYS N   . 6A8Y 1 
37 1 1 11 11 LYS CA  C 13 56.96 0.005 . 1 . . . A 11 LYS CA  A 11 LYS CA  . 6A8Y 1 
38 1 1 12 12 ARG H   H 1  8.01  0.005 . 1 . . . A 12 ARG H   A 12 ARG H   . 6A8Y 1 
39 1 1 12 12 ARG HA  H 1  4.30  0.005 . 1 . . . A 12 ARG HA  A 12 ARG HA  . 6A8Y 1 
40 1 1 12 12 ARG N   N 15 120.5 0.005 . 1 . . . A 12 ARG N   A 12 ARG N   . 6A8Y 1 
41 1 1 13 13 SER H   H 1  8.16  0.005 . 1 . . . A 13 SER H   A 13 SER H   . 6A8Y 1 
42 1 1 13 13 SER HA  H 1  4.40  0.005 . 1 . . . A 13 SER HA  A 13 SER HA  . 6A8Y 1 
43 1 1 13 13 SER N   N 15 115.2 0.005 . 1 . . . A 13 SER N   A 13 SER N   . 6A8Y 1 
44 1 1 13 13 SER CA  C 13 58.86 0.005 . 1 . . . A 13 SER CA  A 13 SER CA  . 6A8Y 1 
45 1 1 14 14 LEU H   H 1  8.06  0.005 . 1 . . . A 14 LEU H   A 14 LEU H   . 6A8Y 1 
46 1 1 14 14 LEU HA  H 1  4.47  0.005 . 1 . . . A 14 LEU HA  A 14 LEU HA  . 6A8Y 1 
47 1 1 14 14 LEU N   N 15 123.2 0.005 . 1 . . . A 14 LEU N   A 14 LEU N   . 6A8Y 1 
48 1 1 14 14 LEU CA  C 13 54.9  0.005 . 1 . . . A 14 LEU CA  A 14 LEU CA  . 6A8Y 1 
49 1 1 15 15 SER H   H 1  8.11  0.005 . 1 . . . A 15 SER H   A 15 SER H   . 6A8Y 1 
50 1 1 15 15 SER HA  H 1  4.90  0.005 . 1 . . . A 15 SER HA  A 15 SER HA  . 6A8Y 1 
51 1 1 15 15 SER N   N 15 115.8 0.005 . 1 . . . A 15 SER N   A 15 SER N   . 6A8Y 1 
52 1 1 16 16 PRO HA  H 1  4.41  0.005 . 1 . . . A 16 PRO HA  A 16 PRO HA  . 6A8Y 1 
53 1 1 16 16 PRO CA  C 13 63.37 0.005 . 1 . . . A 16 PRO CA  A 16 PRO CA  . 6A8Y 1 
54 1 1 17 17 HIS H   H 1  8.06  0.005 . 1 . . . A 17 HIS H   A 17 HIS H   . 6A8Y 1 
55 1 1 17 17 HIS HA  H 1  4.76  0.005 . 1 . . . A 17 HIS HA  A 17 HIS HA  . 6A8Y 1 
56 1 1 17 17 HIS N   N 15 117.0 0.005 . 1 . . . A 17 HIS N   A 17 HIS N   . 6A8Y 1 
57 1 1 18 18 ARG H   H 1  8.12  0.005 . 1 . . . A 18 ARG H   A 18 ARG H   . 6A8Y 1 
58 1 1 18 18 ARG HA  H 1  4.57  0.005 . 1 . . . A 18 ARG HA  A 18 ARG HA  . 6A8Y 1 
59 1 1 18 18 ARG N   N 15 120.5 0.005 . 1 . . . A 18 ARG N   A 18 ARG N   . 6A8Y 1 
60 1 1 18 18 ARG CA  C 13 54.30 0.005 . 1 . . . A 18 ARG CA  A 18 ARG CA  . 6A8Y 1 
61 1 1 19 19 PRO HA  H 1  4.53  0.005 . 1 . . . A 19 PRO HA  A 19 PRO HA  . 6A8Y 1 
62 1 1 19 19 PRO CA  C 13 63.44 0.005 . 1 . . . A 19 PRO CA  A 19 PRO CA  . 6A8Y 1 
63 1 1 20 20 ARG H   H 1  8.25  0.005 . 1 . . . A 20 ARG H   A 20 ARG H   . 6A8Y 1 
64 1 1 20 20 ARG HA  H 1  4.33  0.005 . 1 . . . A 20 ARG HA  A 20 ARG HA  . 6A8Y 1 
65 1 1 20 20 ARG N   N 15 119.6 0.005 . 1 . . . A 20 ARG N   A 20 ARG N   . 6A8Y 1 
66 1 1 21 21 HIS H   H 1  8.23  0.005 . 1 . . . A 21 HIS H   A 21 HIS H   . 6A8Y 1 
67 1 1 21 21 HIS HA  H 1  4.69  0.005 . 1 . . . A 21 HIS HA  A 21 HIS HA  . 6A8Y 1 
68 1 1 21 21 HIS N   N 15 117.1 0.005 . 1 . . . A 21 HIS N   A 21 HIS N   . 6A8Y 1 
69 1 1 22 22 SER H   H 1  8.22  0.005 . 1 . . . A 22 SER H   A 22 SER H   . 6A8Y 1 
70 1 1 22 22 SER HA  H 1  4.46  0.005 . 1 . . . A 22 SER HA  A 22 SER HA  . 6A8Y 1 
71 1 1 22 22 SER N   N 15 115.8 0.005 . 1 . . . A 22 SER N   A 22 SER N   . 6A8Y 1 
72 1 1 22 22 SER CA  C 13 58.83 0.005 . 1 . . . A 22 SER CA  A 22 SER CA  . 6A8Y 1 
73 1 1 23 23 ARG H   H 1  8.34  0.005 . 1 . . . A 23 ARG H   A 23 ARG H   . 6A8Y 1 
74 1 1 23 23 ARG HA  H 1  4.38  0.005 . 1 . . . A 23 ARG HA  A 23 ARG HA  . 6A8Y 1 
75 1 1 23 23 ARG N   N 15 121.3 0.005 . 1 . . . A 23 ARG N   A 23 ARG N   . 6A8Y 1 
76 1 1 23 23 ARG CA  C 13 56.92 0.005 . 1 . . . A 23 ARG CA  A 23 ARG CA  . 6A8Y 1 
77 1 1 24 24 LEU H   H 1  7.93  0.005 . 1 . . . A 24 LEU H   A 24 LEU H   . 6A8Y 1 
78 1 1 24 24 LEU HA  H 1  4.31  0.005 . 1 . . . A 24 LEU HA  A 24 LEU HA  . 6A8Y 1 
79 1 1 24 24 LEU N   N 15 119.6 0.005 . 1 . . . A 24 LEU N   A 24 LEU N   . 6A8Y 1 
80 1 1 24 24 LEU CA  C 13 55.10 0.005 . 1 . . . A 24 LEU CA  A 24 LEU CA  . 6A8Y 1 
81 1 1 25 25 GLN H   H 1  7.96  0.005 . 1 . . . A 25 GLN H   A 25 GLN H   . 6A8Y 1 
82 1 1 25 25 GLN HA  H 1  4.33  0.005 . 1 . . . A 25 GLN HA  A 25 GLN HA  . 6A8Y 1 
83 1 1 25 25 GLN N   N 15 120.1 0.005 . 1 . . . A 25 GLN N   A 25 GLN N   . 6A8Y 1 
84 1 1 25 25 GLN CA  C 13 55.55 0.005 . 1 . . . A 25 GLN CA  A 25 GLN CA  . 6A8Y 1 
85 1 1 26 26 ARG H   H 1  7.97  0.005 . 1 . . . A 26 ARG H   A 26 ARG H   . 6A8Y 1 
86 1 1 26 26 ARG HA  H 1  4.28  0.005 . 1 . . . A 26 ARG HA  A 26 ARG HA  . 6A8Y 1 
87 1 1 26 26 ARG CA  C 13 56.96 0.005 . 1 . . . A 26 ARG CA  A 26 ARG CA  . 6A8Y 1 
stop_
save_
save_constraint_statistics
# 
_Constraint_stat_list.Sf_category                      constraint_statistics 
_Constraint_stat_list.Sf_framecode                     constraint_statistics 
_Constraint_stat_list.Entry_ID                         6A8Y 
_Constraint_stat_list.ID                               1 
_Constraint_stat_list.Data_file_name                   6a8y.mr 
_Constraint_stat_list.Dihedral_angle_tot_num           40 
_Constraint_stat_list.Protein_dihedral_angle_tot_num   40 
_Constraint_stat_list.Protein_phi_angle_tot_num        20 
_Constraint_stat_list.Protein_psi_angle_tot_num        20 
_Constraint_stat_list.Protein_chi_one_angle_tot_num    0 
_Constraint_stat_list.Protein_other_angle_tot_num      0 
# 
loop_
_Constraint_file.ID 
_Constraint_file.Constraint_filename 
_Constraint_file.Software_ID 
_Constraint_file.Software_label 
_Constraint_file.Software_name 
_Constraint_file.Block_ID 
_Constraint_file.Constraint_type 
_Constraint_file.Constraint_subtype 
_Constraint_file.Constraint_subsubtype 
_Constraint_file.Constraint_number 
_Constraint_file.Entry_ID 
_Constraint_file.Constraint_stat_list_ID 
1 YR26_SDS.aco 1 . CYANA 1 'protein dihedral angle' 'backbone chemical shifts' . 40 6A8Y 1 
stop_
save_
save_CYANA_dihedral_angle_restraints_1
# 
_Torsion_angle_constraint_list.Sf_category          torsion_angle_constraints 
_Torsion_angle_constraint_list.Sf_framecode         CYANA_dihedral_angle_restraints_1 
_Torsion_angle_constraint_list.Entry_ID             6A8Y 
_Torsion_angle_constraint_list.ID                   1 
_Torsion_angle_constraint_list.Data_file_name       YR26_SDS.aco 
_Torsion_angle_constraint_list.Constraint_file_ID   1 
_Torsion_angle_constraint_list.Potential_type       square-well-parabolic 
_Torsion_angle_constraint_list.Constraint_type      'backbone chemical shifts' 
_Torsion_angle_constraint_list.Block_ID             1 
# 
loop_
_Torsion_angle_constraint.Index_ID 
_Torsion_angle_constraint.ID 
_Torsion_angle_constraint.Combination_ID 
_Torsion_angle_constraint.Torsion_angle_name 
_Torsion_angle_constraint.Entity_assembly_ID_1 
_Torsion_angle_constraint.Entity_ID_1 
_Torsion_angle_constraint.Comp_index_ID_1 
_Torsion_angle_constraint.Comp_ID_1 
_Torsion_angle_constraint.Atom_ID_1 
_Torsion_angle_constraint.Entity_assembly_ID_2 
_Torsion_angle_constraint.Entity_ID_2 
_Torsion_angle_constraint.Comp_index_ID_2 
_Torsion_angle_constraint.Comp_ID_2 
_Torsion_angle_constraint.Atom_ID_2 
_Torsion_angle_constraint.Entity_assembly_ID_3 
_Torsion_angle_constraint.Entity_ID_3 
_Torsion_angle_constraint.Comp_index_ID_3 
_Torsion_angle_constraint.Comp_ID_3 
_Torsion_angle_constraint.Atom_ID_3 
_Torsion_angle_constraint.Entity_assembly_ID_4 
_Torsion_angle_constraint.Entity_ID_4 
_Torsion_angle_constraint.Comp_index_ID_4 
_Torsion_angle_constraint.Comp_ID_4 
_Torsion_angle_constraint.Atom_ID_4 
_Torsion_angle_constraint.Angle_lower_bound_val 
_Torsion_angle_constraint.Angle_upper_bound_val 
_Torsion_angle_constraint.Angle_target_val 
_Torsion_angle_constraint.Angle_target_val_err 
_Torsion_angle_constraint.Angle_lower_linear_limit 
_Torsion_angle_constraint.Angle_upper_linear_limit 
_Torsion_angle_constraint.Weight 
_Torsion_angle_constraint.Auth_asym_ID_1 
_Torsion_angle_constraint.Auth_seq_ID_1 
_Torsion_angle_constraint.Auth_comp_ID_1 
_Torsion_angle_constraint.Auth_atom_ID_1 
_Torsion_angle_constraint.Auth_atom_name_1 
_Torsion_angle_constraint.Auth_asym_ID_2 
_Torsion_angle_constraint.Auth_seq_ID_2 
_Torsion_angle_constraint.Auth_comp_ID_2 
_Torsion_angle_constraint.Auth_atom_ID_2 
_Torsion_angle_constraint.Auth_atom_name_2 
_Torsion_angle_constraint.Auth_asym_ID_3 
_Torsion_angle_constraint.Auth_seq_ID_3 
_Torsion_angle_constraint.Auth_comp_ID_3 
_Torsion_angle_constraint.Auth_atom_ID_3 
_Torsion_angle_constraint.Auth_atom_name_3 
_Torsion_angle_constraint.Auth_asym_ID_4 
_Torsion_angle_constraint.Auth_seq_ID_4 
_Torsion_angle_constraint.Auth_comp_ID_4 
_Torsion_angle_constraint.Auth_atom_ID_4 
_Torsion_angle_constraint.Auth_atom_name_4 
_Torsion_angle_constraint.Entry_ID 
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID 
1  1  . PHI 1 1 1  TYR C 1 1 2  TYR N  1 1 2  TYR CA 1 1 2  TYR C -98.2  -48.2  . . . . 1.0 A 1  TYR C . A 2  TYR N  . A 2  TYR CA . A 2  TYR C . 6A8Y 1 
2  2  . PSI 1 1 2  TYR N 1 1 2  TYR CA 1 1 2  TYR C  1 1 3  HIS N -74.1  -24.1  . . . . 1.0 A 2  TYR N . A 2  TYR CA . A 2  TYR C  . A 3  HIS N . 6A8Y 1 
3  3  . PHI 1 1 2  TYR C 1 1 3  HIS N  1 1 3  HIS CA 1 1 3  HIS C -89.4  -39.4  . . . . 1.0 A 2  TYR C . A 3  HIS N  . A 3  HIS CA . A 3  HIS C . 6A8Y 1 
4  4  . PSI 1 1 3  HIS N 1 1 3  HIS CA 1 1 3  HIS C  1 1 4  PHE N -69.9  -19.9  . . . . 1.0 A 3  HIS N . A 3  HIS CA . A 3  HIS C  . A 4  PHE N . 6A8Y 1 
5  5  . PHI 1 1 3  HIS C 1 1 4  PHE N  1 1 4  PHE CA 1 1 4  PHE C -81.1  -31.1  . . . . 1.0 A 3  HIS C . A 4  PHE N  . A 4  PHE CA . A 4  PHE C . 6A8Y 1 
6  6  . PSI 1 1 4  PHE N 1 1 4  PHE CA 1 1 4  PHE C  1 1 5  TRP N -68.8  -18.8  . . . . 1.0 A 4  PHE N . A 4  PHE CA . A 4  PHE C  . A 5  TRP N . 6A8Y 1 
7  7  . PHI 1 1 5  TRP C 1 1 6  HIS N  1 1 6  HIS CA 1 1 6  HIS C -96.0  -46.0  . . . . 1.0 A 5  TRP C . A 6  HIS N  . A 6  HIS CA . A 6  HIS C . 6A8Y 1 
8  8  . PSI 1 1 6  HIS N 1 1 6  HIS CA 1 1 6  HIS C  1 1 7  ARG N -65.6  -15.6  . . . . 1.0 A 6  HIS N . A 6  HIS CA . A 6  HIS C  . A 7  ARG N . 6A8Y 1 
9  9  . PHI 1 1 6  HIS C 1 1 7  ARG N  1 1 7  ARG CA 1 1 7  ARG C -87.8  -37.8  . . . . 1.0 A 6  HIS C . A 7  ARG N  . A 7  ARG CA . A 7  ARG C . 6A8Y 1 
10 10 . PSI 1 1 7  ARG N 1 1 7  ARG CA 1 1 7  ARG C  1 1 8  GLY N -61.8  -11.8  . . . . 1.0 A 7  ARG N . A 7  ARG CA . A 7  ARG C  . A 8  GLY N . 6A8Y 1 
11 11 . PHI 1 1 8  GLY C 1 1 9  VAL N  1 1 9  VAL CA 1 1 9  VAL C -89.4  -39.4  . . . . 1.0 A 8  GLY C . A 9  VAL N  . A 9  VAL CA . A 9  VAL C . 6A8Y 1 
12 12 . PSI 1 1 9  VAL N 1 1 9  VAL CA 1 1 9  VAL C  1 1 10 THR N -65.2  -15.2  . . . . 1.0 A 9  VAL N . A 9  VAL CA . A 9  VAL C  . A 10 THR N . 6A8Y 1 
13 13 . PHI 1 1 9  VAL C 1 1 10 THR N  1 1 10 THR CA 1 1 10 THR C -92.0  -52.0  . . . . 1.0 A 9  VAL C . A 10 THR N  . A 10 THR CA . A 10 THR C . 6A8Y 1 
14 14 . PSI 1 1 10 THR N 1 1 10 THR CA 1 1 10 THR C  1 1 11 LYS N -64.4  -14.4  . . . . 1.0 A 10 THR N . A 10 THR CA . A 10 THR C  . A 11 LYS N . 6A8Y 1 
15 15 . PHI 1 1 10 THR C 1 1 11 LYS N  1 1 11 LYS CA 1 1 11 LYS C -89.5  -39.5  . . . . 1.0 A 10 THR C . A 11 LYS N  . A 11 LYS CA . A 11 LYS C . 6A8Y 1 
16 16 . PSI 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C  1 1 12 ARG N -62.0  -12.0  . . . . 1.0 A 11 LYS N . A 11 LYS CA . A 11 LYS C  . A 12 ARG N . 6A8Y 1 
17 17 . PHI 1 1 11 LYS C 1 1 12 ARG N  1 1 12 ARG CA 1 1 12 ARG C -85.1  -35.1  . . . . 1.0 A 11 LYS C . A 12 ARG N  . A 12 ARG CA . A 12 ARG C . 6A8Y 1 
18 18 . PSI 1 1 12 ARG N 1 1 12 ARG CA 1 1 12 ARG C  1 1 13 SER N -64.6  -14.6  . . . . 1.0 A 12 ARG N . A 12 ARG CA . A 12 ARG C  . A 13 SER N . 6A8Y 1 
19 19 . PHI 1 1 12 ARG C 1 1 13 SER N  1 1 13 SER CA 1 1 13 SER C -88.9  -38.9  . . . . 1.0 A 12 ARG C . A 13 SER N  . A 13 SER CA . A 13 SER C . 6A8Y 1 
20 20 . PSI 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C  1 1 14 LEU N -70.0  -20.0  . . . . 1.0 A 13 SER N . A 13 SER CA . A 13 SER C  . A 14 LEU N . 6A8Y 1 
21 21 . PHI 1 1 13 SER C 1 1 14 LEU N  1 1 14 LEU CA 1 1 14 LEU C -94.7  -44.7  . . . . 1.0 A 13 SER C . A 14 LEU N  . A 14 LEU CA . A 14 LEU C . 6A8Y 1 
22 22 . PSI 1 1 14 LEU N 1 1 14 LEU CA 1 1 14 LEU C  1 1 15 SER N -63.2  -13.2  . . . . 1.0 A 14 LEU N . A 14 LEU CA . A 14 LEU C  . A 15 SER N . 6A8Y 1 
23 23 . PHI 1 1 14 LEU C 1 1 15 SER N  1 1 15 SER CA 1 1 15 SER C -88.9  -38.9  . . . . 1.0 A 14 LEU C . A 15 SER N  . A 15 SER CA . A 15 SER C . 6A8Y 1 
24 24 . PSI 1 1 15 SER N 1 1 15 SER CA 1 1 15 SER C  1 1 16 PRO N -59.8  -9.8   . . . . 1.0 A 15 SER N . A 15 SER CA . A 15 SER C  . A 16 PRO N . 6A8Y 1 
25 25 . PHI 1 1 16 PRO C 1 1 17 HIS N  1 1 17 HIS CA 1 1 17 HIS C -154.0 -104.0 . . . . 1.0 A 16 PRO C . A 17 HIS N  . A 17 HIS CA . A 17 HIS C . 6A8Y 1 
26 26 . PSI 1 1 17 HIS N 1 1 17 HIS CA 1 1 17 HIS C  1 1 18 ARG N 128.4  178.4  . . . . 1.0 A 17 HIS N . A 17 HIS CA . A 17 HIS C  . A 18 ARG N . 6A8Y 1 
27 27 . PHI 1 1 17 HIS C 1 1 18 ARG N  1 1 18 ARG CA 1 1 18 ARG C -107.3 -57.3  . . . . 1.0 A 17 HIS C . A 18 ARG N  . A 18 ARG CA . A 18 ARG C . 6A8Y 1 
28 28 . PSI 1 1 18 ARG N 1 1 18 ARG CA 1 1 18 ARG C  1 1 19 PRO N 107.8  157.8  . . . . 1.0 A 18 ARG N . A 18 ARG CA . A 18 ARG C  . A 19 PRO N . 6A8Y 1 
29 29 . PHI 1 1 19 PRO C 1 1 20 ARG N  1 1 20 ARG CA 1 1 20 ARG C -87.7  -37.7  . . . . 1.0 A 19 PRO C . A 20 ARG N  . A 20 ARG CA . A 20 ARG C . 6A8Y 1 
30 30 . PSI 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG C  1 1 21 HIS N -66.3  -16.3  . . . . 1.0 A 20 ARG N . A 20 ARG CA . A 20 ARG C  . A 21 HIS N . 6A8Y 1 
31 31 . PHI 1 1 20 ARG C 1 1 21 HIS N  1 1 21 HIS CA 1 1 21 HIS C -86.1  -36.1  . . . . 1.0 A 20 ARG C . A 21 HIS N  . A 21 HIS CA . A 21 HIS C . 6A8Y 1 
32 32 . PSI 1 1 21 HIS N 1 1 21 HIS CA 1 1 21 HIS C  1 1 22 SER N -66.5  -16.5  . . . . 1.0 A 21 HIS N . A 21 HIS CA . A 21 HIS C  . A 22 SER N . 6A8Y 1 
33 33 . PHI 1 1 21 HIS C 1 1 22 SER N  1 1 22 SER CA 1 1 22 SER C -87.8  -37.8  . . . . 1.0 A 21 HIS C . A 22 SER N  . A 22 SER CA . A 22 SER C . 6A8Y 1 
34 34 . PSI 1 1 22 SER N 1 1 22 SER CA 1 1 22 SER C  1 1 23 ARG N -61.8  -11.8  . . . . 1.0 A 22 SER N . A 22 SER CA . A 22 SER C  . A 23 ARG N . 6A8Y 1 
35 35 . PHI 1 1 22 SER C 1 1 23 ARG N  1 1 23 ARG CA 1 1 23 ARG C -91.5  -41.5  . . . . 1.0 A 22 SER C . A 23 ARG N  . A 23 ARG CA . A 23 ARG C . 6A8Y 1 
36 36 . PSI 1 1 23 ARG N 1 1 23 ARG CA 1 1 23 ARG C  1 1 24 LEU N -66.8  -16.8  . . . . 1.0 A 23 ARG N . A 23 ARG CA . A 23 ARG C  . A 24 LEU N . 6A8Y 1 
37 37 . PHI 1 1 23 ARG C 1 1 24 LEU N  1 1 24 LEU CA 1 1 24 LEU C -90.5  -40.5  . . . . 1.0 A 23 ARG C . A 24 LEU N  . A 24 LEU CA . A 24 LEU C . 6A8Y 1 
38 38 . PSI 1 1 24 LEU N 1 1 24 LEU CA 1 1 24 LEU C  1 1 25 GLN N -64.2  -14.2  . . . . 1.0 A 24 LEU N . A 24 LEU CA . A 24 LEU C  . A 25 GLN N . 6A8Y 1 
39 39 . PHI 1 1 24 LEU C 1 1 25 GLN N  1 1 25 GLN CA 1 1 25 GLN C -90.0  -40.0  . . . . 1.0 A 24 LEU C . A 25 GLN N  . A 25 GLN CA . A 25 GLN C . 6A8Y 1 
40 40 . PSI 1 1 25 GLN N 1 1 25 GLN CA 1 1 25 GLN C  1 1 26 ARG N -66.0  -16.0  . . . . 1.0 A 25 GLN N . A 25 GLN CA . A 25 GLN C  . A 26 ARG N . 6A8Y 1 
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