###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17885
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $7amG_sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 17885 1
2 '2D 1H-1H COSY' . . . 17885 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_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_entity_assembly_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.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 DG H1' H 1 5.495 . . . . . . . A 1 DG H1' . 17885 1
2 . 1 1 1 1 DG H2' H 1 2.389 . . . . . . . A 1 DG H2' . 17885 1
3 . 1 1 1 1 DG H2'' H 1 2.588 . . 2 . . . . A 1 DG H2'' . 17885 1
4 . 1 1 1 1 DG H3' H 1 4.765 . . . . . . . A 1 DG H3' . 17885 1
5 . 1 1 1 1 DG H8 H 1 7.802 . . 1 . . . . A 1 DG H8 . 17885 1
6 . 1 1 2 2 DA H1' H 1 5.894 . . . . . . . A 2 DA H1' . 17885 1
7 . 1 1 2 2 DA H2 H 1 7.707 . . 1 . . . . A 2 DA H2 . 17885 1
8 . 1 1 2 2 DA H2' H 1 2.699 . . . . . . . A 2 DA H2' . 17885 1
9 . 1 1 2 2 DA H2'' H 1 2.833 . . 2 . . . . A 2 DA H2'' . 17885 1
10 . 1 1 2 2 DA H3' H 1 4.981 . . . . . . . A 2 DA H3' . 17885 1
11 . 1 1 2 2 DA H8 H 1 8.127 . . 1 . . . . A 2 DA H8 . 17885 1
12 . 1 1 3 3 DG H1' H 1 5.450 . . . . . . . A 3 DG H1' . 17885 1
13 . 1 1 3 3 DG H2' H 1 2.521 . . . . . . . A 3 DG H2' . 17885 1
14 . 1 1 3 3 DG H2'' H 1 2.640 . . 2 . . . . A 3 DG H2'' . 17885 1
15 . 1 1 3 3 DG H3' H 1 4.943 . . . . . . . A 3 DG H3' . 17885 1
16 . 1 1 3 3 DG H8 H 1 7.641 . . 1 . . . . A 3 DG H8 . 17885 1
17 . 1 1 4 4 DA H1' H 1 6.143 . . . . . . . A 4 DA H1' . 17885 1
18 . 1 1 4 4 DA H2 H 1 7.726 . . 1 . . . . A 4 DA H2 . 17885 1
19 . 1 1 4 4 DA H2' H 1 2.726 . . . . . . . A 4 DA H2' . 17885 1
20 . 1 1 4 4 DA H2'' H 1 2.669 . . 2 . . . . A 4 DA H2'' . 17885 1
21 . 1 1 4 4 DA H3' H 1 4.964 . . . . . . . A 4 DA H3' . 17885 1
22 . 1 1 4 4 DA H5' H 1 4.400 . . . . . . . A 4 DA H5' . 17885 1
23 . 1 1 4 4 DA H8 H 1 8.019 . . 1 . . . . A 4 DA H8 . 17885 1
24 . 1 1 5 5 2LA H1' H 1 5.492 . . . . . . . A 5 2LA H1' . 17885 1
25 . 1 1 5 5 2LA H10 H 1 3.638 . . . . . . . A 5 2LA H10 . 17885 1
26 . 1 1 5 5 2LA H10A H 1 3.467 . . . . . . . A 5 2LA H10A . 17885 1
27 . 1 1 5 5 2LA H2' H 1 2.229 . . . . . . . A 5 2LA H2' . 17885 1
28 . 1 1 5 5 2LA H2'' H 1 2.214 . . . . . . . A 5 2LA H2'' . 17885 1
29 . 1 1 5 5 2LA H3' H 1 4.822 . . . . . . . A 5 2LA H3' . 17885 1
30 . 1 1 5 5 2LA H8 H 1 6.507 . . . . . . . A 5 2LA H8 . 17885 1
31 . 1 1 6 6 DC H1' H 1 5.781 . . . . . . . A 6 DC H1' . 17885 1
32 . 1 1 6 6 DC H2' H 1 1.856 . . . . . . . A 6 DC H2' . 17885 1
33 . 1 1 6 6 DC H2'' H 1 2.363 . . 2 . . . . A 6 DC H2'' . 17885 1
34 . 1 1 6 6 DC H3' H 1 4.771 . . . . . . . A 6 DC H3' . 17885 1
35 . 1 1 6 6 DC H5 H 1 5.149 . . 1 . . . . A 6 DC H5 . 17885 1
36 . 1 1 6 6 DC H6 H 1 7.255 . . 1 . . . . A 6 DC H6 . 17885 1
37 . 1 1 7 7 DG H1' H 1 5.863 . . . . . . . A 7 DG H1' . 17885 1
38 . 1 1 7 7 DG H2' H 1 2.595 . . . . . . . A 7 DG H2' . 17885 1
39 . 1 1 7 7 DG H2'' H 1 2.671 . . 2 . . . . A 7 DG H2'' . 17885 1
40 . 1 1 7 7 DG H3' H 1 4.914 . . . . . . . A 7 DG H3' . 17885 1
41 . 1 1 7 7 DG H8 H 1 7.797 . . 1 . . . . A 7 DG H8 . 17885 1
42 . 1 1 8 8 DC H1' H 1 5.839 . . . . . . . A 8 DC H1' . 17885 1
43 . 1 1 8 8 DC H2' H 1 1.995 . . . . . . . A 8 DC H2' . 17885 1
44 . 1 1 8 8 DC H2'' H 1 2.464 . . 2 . . . . A 8 DC H2'' . 17885 1
45 . 1 1 8 8 DC H3' H 1 4.649 . . . . . . . A 8 DC H3' . 17885 1
46 . 1 1 8 8 DC H5 H 1 5.341 . . 1 . . . . A 8 DC H5 . 17885 1
47 . 1 1 8 8 DC H6 H 1 7.347 . . 1 . . . . A 8 DC H6 . 17885 1
48 . 1 1 9 9 DT H1' H 1 6.059 . . . . . . . A 9 DT H1' . 17885 1
49 . 1 1 9 9 DT H2' H 1 2.125 . . . . . . . A 9 DT H2' . 17885 1
50 . 1 1 9 9 DT H2'' H 1 2.246 . . 2 . . . . A 9 DT H2'' . 17885 1
51 . 1 1 9 9 DT H3' H 1 4.851 . . . . . . . A 9 DT H3' . 17885 1
52 . 1 1 9 9 DT H6 H 1 7.445 . . 1 . . . . A 9 DT H6 . 17885 1
53 . 1 1 9 9 DT H71 H 1 1.514 . . 1 . . . . A 9 DT H7 . 17885 1
54 . 1 1 9 9 DT H72 H 1 1.514 . . 1 . . . . A 9 DT H7 . 17885 1
55 . 1 1 9 9 DT H73 H 1 1.514 . . 1 . . . . A 9 DT H7 . 17885 1
56 . 1 1 10 10 DC H1' H 1 5.970 . . . . . . . A 10 DC H1' . 17885 1
57 . 1 1 10 10 DC H2' H 1 2.499 . . . . . . . A 10 DC H2' . 17885 1
58 . 1 1 10 10 DC H2'' H 1 2.491 . . 2 . . . . A 10 DC H2'' . 17885 1
59 . 1 1 10 10 DC H3' H 1 4.743 . . . . . . . A 10 DC H3' . 17885 1
60 . 1 1 10 10 DC H5 H 1 5.641 . . 1 . . . . A 10 DC H5 . 17885 1
61 . 1 1 10 10 DC H6 H 1 7.587 . . 1 . . . . A 10 DC H6 . 17885 1
62 . 1 1 11 11 DT H1' H 1 6.073 . . . . . . . A 11 DT H1' . 17885 1
63 . 1 1 11 11 DT H2' H 1 2.152 . . . . . . . A 11 DT H2' . 17885 1
64 . 1 1 11 11 DT H2'' H 1 2.243 . . 2 . . . . A 11 DT H2'' . 17885 1
65 . 1 1 11 11 DT H3' H 1 4.841 . . . . . . . A 11 DT H3' . 17885 1
66 . 1 1 11 11 DT H6 H 1 7.453 . . 1 . . . . A 11 DT H6 . 17885 1
67 . 1 1 11 11 DT H71 H 1 1.703 . . 1 . . . . A 11 DT H7 . 17885 1
68 . 1 1 11 11 DT H72 H 1 1.703 . . 1 . . . . A 11 DT H7 . 17885 1
69 . 1 1 11 11 DT H73 H 1 1.703 . . 1 . . . . A 11 DT H7 . 17885 1
70 . 1 1 12 12 DC H1' H 1 6.245 . . . . . . . A 12 DC H1' . 17885 1
71 . 1 1 12 12 DC H3' H 1 4.534 . . . . . . . A 12 DC H3' . 17885 1
72 . 1 1 12 12 DC H5 H 1 5.838 . . 1 . . . . A 12 DC H5 . 17885 1
73 . 1 1 12 12 DC H6 H 1 7.646 . . 1 . . . . A 12 DC H6 . 17885 1
stop_
save_