###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30818
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 COSY' . . . 30818 1
2 '2D 1H-1H NOESY' . . . 30818 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 G H1 H 1 12.9090 0.0000 . 1 . . . . A 603 G H1 . 30818 1
2 . 1 . 1 1 1 G H1' H 1 5.78879 0.0000 . 1 . . . . A 603 G H1' . 30818 1
3 . 1 . 1 1 1 G H3' H 1 4.35036 0.0000 . 1 . . . . A 603 G H3' . 30818 1
4 . 1 . 1 1 1 G H4' H 1 4.47314 0.0000 . 1 . . . . A 603 G H4' . 30818 1
5 . 1 . 1 1 1 G H8 H 1 8.12997 0.0000 . 1 . . . . A 603 G H8 . 30818 1
6 . 1 . 1 1 1 G HO2' H 1 5.02879 0.0000 . 1 . . . . A 603 G HO2' . 30818 1
7 . 1 . 1 2 2 G H1 H 1 13.4275 0.0000 . 1 . . . . A 604 G H1 . 30818 1
8 . 1 . 1 2 2 G H1' H 1 5.9140 0.0000 . 1 . . . . A 604 G H1' . 30818 1
9 . 1 . 1 2 2 G H3' H 1 4.54998 0.0000 . 1 . . . . A 604 G H3' . 30818 1
10 . 1 . 1 2 2 G H8 H 1 7.5349 0.0000 . 1 . . . . A 604 G H8 . 30818 1
11 . 1 . 1 2 2 G HO2' H 1 4.55707 0.0000 . 1 . . . . A 604 G HO2' . 30818 1
12 . 1 . 1 3 3 U H1' H 1 5.56889 0.0000 . 1 . . . . A 605 U H1' . 30818 1
13 . 1 . 1 3 3 U H3 H 1 14.28880 0.0000 . 1 . . . . A 605 U H3 . 30818 1
14 . 1 . 1 3 3 U H3' H 1 4.19460 0.0000 . 1 . . . . A 605 U H3' . 30818 1
15 . 1 . 1 3 3 U H5 H 1 5.08023 0.0000 . 1 . . . . A 605 U H5 . 30818 1
16 . 1 . 1 3 3 U H6 H 1 7.77032 0.0000 . 1 . . . . A 605 U H6 . 30818 1
17 . 1 . 1 3 3 U HO2' H 1 4.55005 0.0000 . 1 . . . . A 605 U HO2' . 30818 1
18 . 1 . 1 4 4 U H1' H 1 5.56752 0.0000 . 1 . . . . A 606 U H1' . 30818 1
19 . 1 . 1 4 4 U H3 H 1 13.77914 0.0000 . 1 . . . . A 606 U H3 . 30818 1
20 . 1 . 1 4 4 U H3' H 1 4.57252 0.0000 . 1 . . . . A 606 U H3' . 30818 1
21 . 1 . 1 4 4 U H5 H 1 5.56177 0.0000 . 1 . . . . A 606 U H5 . 30818 1
22 . 1 . 1 4 4 U H6 H 1 7.84654 0.0000 . 1 . . . . A 606 U H6 . 30818 1
23 . 1 . 1 4 4 U HO2' H 1 4.41324 0.0000 . 1 . . . . A 606 U HO2' . 30818 1
24 . 1 . 1 5 5 U H1' H 1 5.34613 0.0000 . 1 . . . . A 607 U H1' . 30818 1
25 . 1 . 1 5 5 U H3 H 1 11.79836 0.0000 . 1 . . . . A 607 U H3 . 30818 1
26 . 1 . 1 5 5 U H3' H 1 4.59044 0.0000 . 1 . . . . A 607 U H3' . 30818 1
27 . 1 . 1 5 5 U H5 H 1 5.73716 0.0000 . 1 . . . . A 607 U H5 . 30818 1
28 . 1 . 1 5 5 U H6 H 1 7.95360 0.0000 . 1 . . . . A 607 U H6 . 30818 1
29 . 1 . 1 5 5 U HO2' H 1 4.18886 0.0000 . 1 . . . . A 607 U HO2' . 30818 1
30 . 1 . 1 6 6 C H1' H 1 5.46578 0.0000 . 1 . . . . A 608 C H1' . 30818 1
31 . 1 . 1 6 6 C H3' H 1 4.57277 0.0000 . 1 . . . . A 608 C H3' . 30818 1
32 . 1 . 1 6 6 C H5 H 1 5.61065 0.0000 . 1 . . . . A 608 C H5 . 30818 1
33 . 1 . 1 6 6 C H6 H 1 7.86469 0.0000 . 1 . . . . A 608 C H6 . 30818 1
34 . 1 . 1 6 6 C H41 H 1 8.49784 0.0000 . 1 . . . . A 608 C H41 . 30818 1
35 . 1 . 1 6 6 C H42 H 1 6.80815 0.0000 . 1 . . . . A 608 C H42 . 30818 1
36 . 1 . 1 6 6 C HO2' H 1 4.39821 0.0000 . 1 . . . . A 608 C HO2' . 30818 1
37 . 1 . 1 7 7 G H1' H 1 5.64424 0.0000 . 1 . . . . A 609 G H1' . 30818 1
38 . 1 . 1 7 7 G H3' H 1 4.41076 0.0000 . 1 . . . . A 609 G H3' . 30818 1
39 . 1 . 1 7 7 G H8 H 1 7.86518 0.0000 . 1 . . . . A 609 G H8 . 30818 1
40 . 1 . 1 7 7 G HO2' H 1 4.54922 0.0000 . 1 . . . . A 609 G HO2' . 30818 1
41 . 1 . 1 8 8 G H1' H 1 5.78604 0.0000 . 1 . . . . A 610 G H1' . 30818 1
42 . 1 . 1 8 8 G H8 H 1 7.41662 0.0000 . 1 . . . . A 610 G H8 . 30818 1
43 . 1 . 1 8 8 G HO2' H 1 4.79931 0.0000 . 1 . . . . A 610 G HO2' . 30818 1
44 . 1 . 1 9 9 G H1 H 1 10.46656 0.0000 . 1 . . . . A 611 G H1 . 30818 1
45 . 1 . 1 9 9 G H1' H 1 5.69978 0.0000 . 1 . . . . A 611 G H1' . 30818 1
46 . 1 . 1 9 9 G H3' H 1 4.55183 0.0000 . 1 . . . . A 611 G H3' . 30818 1
47 . 1 . 1 9 9 G H8 H 1 7.11527 0.0000 . 1 . . . . A 611 G H8 . 30818 1
48 . 1 . 1 9 9 G HO2' H 1 4.84527 0.0000 . 1 . . . . A 611 G HO2' . 30818 1
49 . 1 . 1 10 10 A H1' H 1 5.83107 0.0000 . 1 . . . . A 612 A H1' . 30818 1
50 . 1 . 1 10 10 A H2 H 1 7.12798 0.0000 . 1 . . . . A 612 A H2 . 30818 1
51 . 1 . 1 10 10 A H3' H 1 4.58134 0.0000 . 1 . . . . A 612 A H3' . 30818 1
52 . 1 . 1 10 10 A H8 H 1 7.63333 0.0000 . 1 . . . . A 612 A H8 . 30818 1
53 . 1 . 1 10 10 A H61 H 1 7.83946 0.0000 . 1 . . . . A 612 A H61 . 30818 1
54 . 1 . 1 10 10 A H62 H 1 7.02587 0.0000 . 1 . . . . A 612 A H62 . 30818 1
55 . 1 . 1 10 10 A HO2' H 1 4.84561 0.0000 . 1 . . . . A 612 A HO2' . 30818 1
56 . 1 . 1 11 11 A H1' H 1 5.91477 0.0000 . 1 . . . . A 613 A H1' . 30818 1
57 . 1 . 1 11 11 A H2 H 1 7.75301 0.0000 . 1 . . . . A 613 A H2 . 30818 1
58 . 1 . 1 11 11 A H3' H 1 4.20182 0.0000 . 1 . . . . A 613 A H3' . 30818 1
59 . 1 . 1 11 11 A H8 H 1 7.76698 0.0000 . 1 . . . . A 613 A H8 . 30818 1
60 . 1 . 1 11 11 A H61 H 1 8.21234 0.0000 . 1 . . . . A 613 A H61 . 30818 1
61 . 1 . 1 11 11 A H62 H 1 6.72362 0.0000 . 1 . . . . A 613 A H62 . 30818 1
62 . 1 . 1 11 11 A HO2' H 1 4.35077 0.0000 . 1 . . . . A 613 A HO2' . 30818 1
63 . 1 . 1 12 12 C H1' H 1 5.38224 0.0000 . 1 . . . . A 614 C H1' . 30818 1
64 . 1 . 1 12 12 C H3' H 1 4.43834 0.0000 . 1 . . . . A 614 C H3' . 30818 1
65 . 1 . 1 12 12 C H5 H 1 5.12494 0.0000 . 1 . . . . A 614 C H5 . 30818 1
66 . 1 . 1 12 12 C H6 H 1 7.41527 0.0000 . 1 . . . . A 614 C H6 . 30818 1
67 . 1 . 1 12 12 C H41 H 1 8.39409 0.0000 . 1 . . . . A 614 C H41 . 30818 1
68 . 1 . 1 12 12 C H42 H 1 7.02308 0.0000 . 1 . . . . A 614 C H42 . 30818 1
69 . 1 . 1 12 12 C HO2' H 1 4.20484 0.0000 . 1 . . . . A 614 C HO2' . 30818 1
70 . 1 . 1 13 13 C H1' H 1 5.73308 0.0000 . 1 . . . . A 615 C H1' . 30818 1
71 . 1 . 1 13 13 C H3' H 1 4.24018 0.0000 . 1 . . . . A 615 C H3' . 30818 1
72 . 1 . 1 13 13 C H5 H 1 5.40745 0.0000 . 1 . . . . A 615 C H5 . 30818 1
73 . 1 . 1 13 13 C H6 H 1 7.59934 0.0000 . 1 . . . . A 615 C H6 . 30818 1
74 . 1 . 1 13 13 C H41 H 1 8.36957 0.0000 . 1 . . . . A 615 C H41 . 30818 1
75 . 1 . 1 13 13 C H42 H 1 6.94307 0.0000 . 1 . . . . A 615 C H42 . 30818 1
76 . 1 . 1 13 13 C HO2' H 1 4.08094 0.0000 . 1 . . . . A 615 C HO2' . 30818 1
stop_
save_