###################################
# 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 25737
_Assigned_chem_shift_list.ID 1
_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 $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 TOCSY' . . . 25737 1
2 '2D 1H-1H NOESY' . . . 25737 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.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 DVA H1 H 1 7.6920 0.0000 . 1 . . . A 1 DVA H1 . 25737 1
2 . 1 1 1 1 DVA HA H 1 4.3028 0.0000 . 1 . . . A 1 DVA HA . 25737 1
3 . 1 1 1 1 DVA HB H 1 2.0838 0.0000 . 1 . . . A 1 DVA HB . 25737 1
4 . 1 1 1 1 DVA HG11 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG11 . 25737 1
5 . 1 1 1 1 DVA HG12 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG11 . 25737 1
6 . 1 1 1 1 DVA HG13 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG11 . 25737 1
7 . 1 1 1 1 DVA HG21 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG21 . 25737 1
8 . 1 1 1 1 DVA HG22 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG21 . 25737 1
9 . 1 1 1 1 DVA HG23 H 1 0.8897 0.0000 . 2 . . . A 1 DVA HG21 . 25737 1
10 . 1 1 2 2 4FO H H 1 8.5663 0.0000 . 1 . . . A 2 4FO H . 25737 1
11 . 1 1 2 2 4FO HA H 1 4.9649 0.0000 . 1 . . . A 2 4FO HA . 25737 1
12 . 1 1 2 2 4FO HB2 H 1 2.1357 0.0000 . 2 . . . A 2 4FO HB2 . 25737 1
13 . 1 1 2 2 4FO HB3 H 1 1.9677 0.0000 . 2 . . . A 2 4FO HB3 . 25737 1
14 . 1 1 2 2 4FO HG2 H 1 2.9075 0.0000 . 2 . . . A 2 4FO HG2 . 25737 1
15 . 1 1 2 2 4FO HG3 H 1 2.9075 0.0000 . 2 . . . A 2 4FO HG3 . 25737 1
16 . 1 1 3 3 GLY H H 1 8.4717 0.0000 . 1 . . . A 3 GLY H . 25737 1
17 . 1 1 3 3 GLY HA2 H 1 4.0584 0.0000 . 2 . . . A 3 GLY HA2 . 25737 1
18 . 1 1 3 3 GLY HA3 H 1 3.8329 0.0000 . 2 . . . A 3 GLY HA3 . 25737 1
19 . 1 1 4 4 DSN H H 1 8.1328 0.0000 . 1 . . . A 4 DSN H . 25737 1
20 . 1 1 4 4 DSN HA H 1 4.8744 0.0000 . 1 . . . A 4 DSN HA . 25737 1
21 . 1 1 4 4 DSN HB2 H 1 3.6198 0.0000 . 2 . . . A 4 DSN HB2 . 25737 1
22 . 1 1 4 4 DSN HB3 H 1 3.6120 0.0000 . 2 . . . A 4 DSN HB3 . 25737 1
23 . 1 1 5 5 DTR H H 1 8.4987 0.0000 . 1 . . . A 5 DTR H . 25737 1
24 . 1 1 5 5 DTR HA H 1 4.7534 0.0000 . 1 . . . A 5 DTR HA . 25737 1
25 . 1 1 5 5 DTR HB2 H 1 3.1382 0.0000 . 2 . . . A 5 DTR HB2 . 25737 1
26 . 1 1 5 5 DTR HB3 H 1 3.1382 0.0000 . 2 . . . A 5 DTR HB3 . 25737 1
27 . 1 1 5 5 DTR HD1 H 1 7.2406 0.0000 . 1 . . . A 5 DTR HD1 . 25737 1
28 . 1 1 5 5 DTR HE1 H 1 10.5255 0.0000 . 1 . . . A 5 DTR HE1 . 25737 1
29 . 1 1 5 5 DTR HE3 H 1 7.5066 0.0000 . 1 . . . A 5 DTR HE3 . 25737 1
30 . 1 1 5 5 DTR HH2 H 1 7.0233 0.0000 . 1 . . . A 5 DTR HH2 . 25737 1
31 . 1 1 5 5 DTR HZ2 H 1 7.3248 0.0000 . 1 . . . A 5 DTR HZ2 . 25737 1
32 . 1 1 5 5 DTR HZ3 H 1 6.9457 0.0000 . 1 . . . A 5 DTR HZ3 . 25737 1
33 . 1 1 6 6 SER H H 1 8.6298 0.0000 . 1 . . . A 6 SER H . 25737 1
34 . 1 1 6 6 SER HA H 1 3.9746 0.0000 . 1 . . . A 6 SER HA . 25737 1
35 . 1 1 6 6 SER HB2 H 1 3.7194 0.0000 . 2 . . . A 6 SER HB2 . 25737 1
36 . 1 1 6 6 SER HB3 H 1 3.5026 0.0000 . 2 . . . A 6 SER HB3 . 25737 1
37 . 1 1 7 7 DAB H H 1 8.5539 0.0000 . 1 . . . A 7 DAB H . 25737 1
38 . 1 1 7 7 DAB HA H 1 4.3101 0.0000 . 1 . . . A 7 DAB HA . 25737 1
39 . 1 1 7 7 DAB HB2 H 1 2.1493 0.0000 . 2 . . . A 7 DAB HB2 . 25737 1
40 . 1 1 7 7 DAB HB3 H 1 1.9555 0.0000 . 2 . . . A 7 DAB HB3 . 25737 1
41 . 1 1 7 7 DAB HG2 H 1 3.0052 0.0000 . 2 . . . A 7 DAB HG2 . 25737 1
42 . 1 1 7 7 DAB HG3 H 1 3.0022 0.0000 . 2 . . . A 7 DAB HG3 . 25737 1
43 . 1 1 8 8 4FO H H 1 7.8630 0.0000 . 1 . . . A 8 4FO H . 25737 1
44 . 1 1 8 8 4FO HA H 1 4.5045 0.0000 . 1 . . . A 8 4FO HA . 25737 1
45 . 1 1 8 8 4FO HB2 H 1 2.0277 0.0000 . 2 . . . A 8 4FO HB2 . 25737 1
46 . 1 1 8 8 4FO HB3 H 1 1.7892 0.0000 . 2 . . . A 8 4FO HB3 . 25737 1
47 . 1 1 8 8 4FO HG2 H 1 2.7989 0.0000 . 2 . . . A 8 4FO HG2 . 25737 1
48 . 1 1 8 8 4FO HG3 H 1 2.7989 0.0000 . 2 . . . A 8 4FO HG3 . 25737 1
49 . 1 1 9 9 PHE H H 1 7.7425 0.0000 . 1 . . . A 9 PHE H . 25737 1
50 . 1 1 9 9 PHE HA H 1 4.9177 0.0000 . 1 . . . A 9 PHE HA . 25737 1
51 . 1 1 9 9 PHE HB2 H 1 3.0638 0.0000 . 2 . . . A 9 PHE HB2 . 25737 1
52 . 1 1 9 9 PHE HB3 H 1 2.9091 0.0000 . 2 . . . A 9 PHE HB3 . 25737 1
53 . 1 1 9 9 PHE HD1 H 1 7.2050 0.0000 . 3 . . . A 9 PHE HD1 . 25737 1
54 . 1 1 9 9 PHE HD2 H 1 7.2050 0.0000 . 3 . . . A 9 PHE HD2 . 25737 1
55 . 1 1 9 9 PHE HE1 H 1 7.1367 0.0000 . 3 . . . A 9 PHE HE1 . 25737 1
56 . 1 1 9 9 PHE HE2 H 1 7.1367 0.0000 . 3 . . . A 9 PHE HE2 . 25737 1
57 . 1 1 9 9 PHE HZ H 1 7.2097 0.0000 . 1 . . . A 9 PHE HZ . 25737 1
58 . 1 1 10 10 GLU H H 1 8.4259 0.0000 . 1 . . . A 10 GLU H . 25737 1
59 . 1 1 10 10 GLU HA H 1 4.5446 0.0000 . 1 . . . A 10 GLU HA . 25737 1
60 . 1 1 10 10 GLU HB2 H 1 1.9562 0.0000 . 2 . . . A 10 GLU HB2 . 25737 1
61 . 1 1 10 10 GLU HB3 H 1 1.8170 0.0000 . 2 . . . A 10 GLU HB3 . 25737 1
62 . 1 1 10 10 GLU HG2 H 1 2.1461 0.0000 . 2 . . . A 10 GLU HG2 . 25737 1
63 . 1 1 10 10 GLU HG3 H 1 2.1453 0.0000 . 2 . . . A 10 GLU HG3 . 25737 1
64 . 1 1 11 11 VAL H H 1 8.2366 0.0000 . 1 . . . A 11 VAL H . 25737 1
65 . 1 1 11 11 VAL HA H 1 4.5546 0.0000 . 1 . . . A 11 VAL HA . 25737 1
66 . 1 1 11 11 VAL HB H 1 1.8710 0.0000 . 1 . . . A 11 VAL HB . 25737 1
67 . 1 1 11 11 VAL HG11 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG11 . 25737 1
68 . 1 1 11 11 VAL HG12 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG12 . 25737 1
69 . 1 1 11 11 VAL HG13 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG13 . 25737 1
70 . 1 1 11 11 VAL HG21 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG21 . 25737 1
71 . 1 1 11 11 VAL HG22 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG22 . 25737 1
72 . 1 1 11 11 VAL HG23 H 1 0.9113 0.0000 . 2 . . . A 11 VAL HG23 . 25737 1
73 . 1 1 12 12 28J H20 H 1 8.1417 0.0000 . 1 . . . A 12 28J H20 . 25737 1
74 . 1 1 12 12 28J H21 H 1 4.0933 0.0000 . 1 . . . A 12 28J H21 . 25737 1
75 . 1 1 12 12 28J H23 H 1 1.3059 0.0000 . 1 . . . A 12 28J H23 . 25737 1
76 . 1 1 12 12 28J H26 H 1 1.3083 0.0000 . 2 . . . A 12 28J H26 . 25737 1
77 . 1 1 13 13 ALA H H 1 7.8979 0.0000 . 1 . . . A 13 ALA H . 25737 1
78 . 1 1 13 13 ALA HA H 1 4.1341 0.0000 . 1 . . . A 13 ALA HA . 25737 1
79 . 1 1 13 13 ALA HB1 H 1 1.2873 0.0000 . 1 . . . A 13 ALA HB1 . 25737 1
80 . 1 1 13 13 ALA HB2 H 1 1.2873 0.0000 . 1 . . . A 13 ALA HB2 . 25737 1
81 . 1 1 13 13 ALA HB3 H 1 1.2873 0.0000 . 1 . . . A 13 ALA HB3 . 25737 1
stop_
save_