###################################
# 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 34841
_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 NOESY' . . . 34841 1
2 '2D 1H-1H TOCSY' . . . 34841 1
3 '2D 1H-1H COSY' . . . 34841 1
4 '2D 1H-13C HSQC' . . . 34841 1
5 '2D 1H-13 HMBC' . . . 34841 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 IG8 CA C 13 43.4 0.00 . 1 . . . . A 1 IG8 CA . 34841 1
2 . 1 . 1 1 1 IG8 CB C 13 68.6 0.00 . 1 . . . . A 1 IG8 CB . 34841 1
3 . 1 . 1 1 1 IG8 HA1 H 1 2.82 0.00 . 2 . . . . A 1 IG8 HA1 . 34841 1
4 . 1 . 1 1 1 IG8 HA2 H 1 2.70 0.00 . 2 . . . . A 1 IG8 HA2 . 34841 1
5 . 1 . 1 1 1 IG8 HB H 1 4.16 0.00 . 1 . . . . A 1 IG8 HB . 34841 1
6 . 1 . 1 2 2 DLE H H 1 9.26 0.00 . 1 . . . . A 2 DLE H . 34841 1
7 . 1 . 1 2 2 DLE CA C 13 56.1 0.00 . 1 . . . . A 2 DLE CA . 34841 1
8 . 1 . 1 2 2 DLE CB C 13 39.1 0.00 . 1 . . . . A 2 DLE CB . 34841 1
9 . 1 . 1 2 2 DLE CD1 C 13 22.0 0.00 . 2 . . . . A 2 DLE CD1 . 34841 1
10 . 1 . 1 2 2 DLE CD2 C 13 22.2 0.00 . 2 . . . . A 2 DLE CD2 . 34841 1
11 . 1 . 1 2 2 DLE CG C 13 24.5 0.00 . 1 . . . . A 2 DLE CG . 34841 1
12 . 1 . 1 2 2 DLE HA H 1 3.98 0.00 . 1 . . . . A 2 DLE HA . 34841 1
13 . 1 . 1 2 2 DLE HB2 H 1 1.79 0.00 . 2 . . . . A 2 DLE HB2 . 34841 1
14 . 1 . 1 2 2 DLE HB3 H 1 1.75 0.00 . 2 . . . . A 2 DLE HB3 . 34841 1
15 . 1 . 1 2 2 DLE HD11 H 1 1.05 0.00 . 2 . . . . A 2 DLE HD11 . 34841 1
16 . 1 . 1 2 2 DLE HD12 H 1 1.05 0.00 . 2 . . . . A 2 DLE HD12 . 34841 1
17 . 1 . 1 2 2 DLE HD13 H 1 1.05 0.00 . 2 . . . . A 2 DLE HD13 . 34841 1
18 . 1 . 1 2 2 DLE HD21 H 1 1.00 0.00 . 2 . . . . A 2 DLE HD21 . 34841 1
19 . 1 . 1 2 2 DLE HD22 H 1 1.00 0.00 . 2 . . . . A 2 DLE HD22 . 34841 1
20 . 1 . 1 2 2 DLE HD23 H 1 1.00 0.00 . 2 . . . . A 2 DLE HD23 . 34841 1
21 . 1 . 1 2 2 DLE HG H 1 1.85 0.00 . 1 . . . . A 2 DLE HG . 34841 1
22 . 1 . 1 3 3 DAS H H 1 9.00 0.00 . 1 . . . . A 3 DAS H . 34841 1
23 . 1 . 1 3 3 DAS CA C 13 53.6 0.00 . 1 . . . . A 3 DAS CA . 34841 1
24 . 1 . 1 3 3 DAS CB C 13 35.3 0.00 . 1 . . . . A 3 DAS CB . 34841 1
25 . 1 . 1 3 3 DAS HA H 1 4.37 0.00 . 1 . . . . A 3 DAS HA . 34841 1
26 . 1 . 1 3 3 DAS HB2 H 1 2.86 0.00 . 2 . . . . A 3 DAS HB2 . 34841 1
27 . 1 . 1 3 3 DAS HB3 H 1 2.80 0.00 . 2 . . . . A 3 DAS HB3 . 34841 1
28 . 1 . 1 4 4 2TL H H 1 7.63 0.00 . 1 . . . . A 4 2TL H . 34841 1
29 . 1 . 1 4 4 2TL CA C 13 59.7 0.00 . 1 . . . . A 4 2TL CA . 34841 1
30 . 1 . 1 4 4 2TL CB C 13 69.4 0.00 . 1 . . . . A 4 2TL CB . 34841 1
31 . 1 . 1 4 4 2TL CG2 C 13 17.3 0.00 . 1 . . . . A 4 2TL CG2 . 34841 1
32 . 1 . 1 4 4 2TL HA H 1 4.37 0.00 . 1 . . . . A 4 2TL HA . 34841 1
33 . 1 . 1 4 4 2TL HB H 1 5.68 0.00 . 1 . . . . A 4 2TL HB . 34841 1
34 . 1 . 1 4 4 2TL HG21 H 1 1.38 0.00 . 1 . . . . A 4 2TL HG21 . 34841 1
35 . 1 . 1 4 4 2TL HG22 H 1 1.38 0.00 . 1 . . . . A 4 2TL HG22 . 34841 1
36 . 1 . 1 4 4 2TL HG23 H 1 1.38 0.00 . 1 . . . . A 4 2TL HG23 . 34841 1
37 . 1 . 1 5 5 DLE H H 1 8.37 0.00 . 1 . . . . A 5 DLE H . 34841 1
38 . 1 . 1 5 5 DLE CA C 13 55.9 0.00 . 1 . . . . A 5 DLE CA . 34841 1
39 . 1 . 1 5 5 DLE CB C 13 39.5 0.00 . 1 . . . . A 5 DLE CB . 34841 1
40 . 1 . 1 5 5 DLE CD1 C 13 20.4 0.00 . 2 . . . . A 5 DLE CD1 . 34841 1
41 . 1 . 1 5 5 DLE CD2 C 13 20.1 0.00 . 2 . . . . A 5 DLE CD2 . 34841 1
42 . 1 . 1 5 5 DLE CG C 13 24.9 0.00 . 1 . . . . A 5 DLE CG . 34841 1
43 . 1 . 1 5 5 DLE HA H 1 4.09 0.00 . 1 . . . . A 5 DLE HA . 34841 1
44 . 1 . 1 5 5 DLE HB2 H 1 1.88 0.00 . 2 . . . . A 5 DLE HB2 . 34841 1
45 . 1 . 1 5 5 DLE HB3 H 1 1.77 0.00 . 2 . . . . A 5 DLE HB3 . 34841 1
46 . 1 . 1 5 5 DLE HD11 H 1 0.98 0.00 . 2 . . . . A 5 DLE HD11 . 34841 1
47 . 1 . 1 5 5 DLE HD12 H 1 0.98 0.00 . 2 . . . . A 5 DLE HD12 . 34841 1
48 . 1 . 1 5 5 DLE HD13 H 1 0.98 0.00 . 2 . . . . A 5 DLE HD13 . 34841 1
49 . 1 . 1 5 5 DLE HD21 H 1 0.93 0.00 . 2 . . . . A 5 DLE HD21 . 34841 1
50 . 1 . 1 5 5 DLE HD22 H 1 0.93 0.00 . 2 . . . . A 5 DLE HD22 . 34841 1
51 . 1 . 1 5 5 DLE HD23 H 1 0.93 0.00 . 2 . . . . A 5 DLE HD23 . 34841 1
52 . 1 . 1 5 5 DLE HG H 1 1.77 0.00 . 4 . . . . A 5 DLE HG . 34841 1
53 . 1 . 1 6 6 DLE H H 1 8.28 0.00 . 1 . . . . A 6 DLE H . 34841 1
54 . 1 . 1 6 6 DLE CA C 13 53.6 0.00 . 1 . . . . A 6 DLE CA . 34841 1
55 . 1 . 1 6 6 DLE CB C 13 38.6 0.00 . 1 . . . . A 6 DLE CB . 34841 1
56 . 1 . 1 6 6 DLE CD1 C 13 22.9 0.00 . 2 . . . . A 6 DLE CD1 . 34841 1
57 . 1 . 1 6 6 DLE CD2 C 13 22.4 0.00 . 2 . . . . A 6 DLE CD2 . 34841 1
58 . 1 . 1 6 6 DLE CG C 13 24.6 0.00 . 1 . . . . A 6 DLE CG . 34841 1
59 . 1 . 1 6 6 DLE HA H 1 4.12 0.00 . 1 . . . . A 6 DLE HA . 34841 1
60 . 1 . 1 6 6 DLE HB2 H 1 1.88 0.00 . 2 . . . . A 6 DLE HB2 . 34841 1
61 . 1 . 1 6 6 DLE HB3 H 1 1.78 0.00 . 2 . . . . A 6 DLE HB3 . 34841 1
62 . 1 . 1 6 6 DLE HD11 H 1 0.98 0.00 . 2 . . . . A 6 DLE HD11 . 34841 1
63 . 1 . 1 6 6 DLE HD12 H 1 0.98 0.00 . 2 . . . . A 6 DLE HD12 . 34841 1
64 . 1 . 1 6 6 DLE HD13 H 1 0.98 0.00 . 2 . . . . A 6 DLE HD13 . 34841 1
65 . 1 . 1 6 6 DLE HD21 H 1 0.93 0.00 . 2 . . . . A 6 DLE HD21 . 34841 1
66 . 1 . 1 6 6 DLE HD22 H 1 0.93 0.00 . 2 . . . . A 6 DLE HD22 . 34841 1
67 . 1 . 1 6 6 DLE HD23 H 1 0.93 0.00 . 2 . . . . A 6 DLE HD23 . 34841 1
68 . 1 . 1 6 6 DLE HG H 1 1.96 0.00 . 1 . . . . A 6 DLE HG . 34841 1
69 . 1 . 1 7 7 DSN H H 1 7.66 0.00 . 1 . . . . A 7 DSN H . 34841 1
70 . 1 . 1 7 7 DSN CA C 13 58.4 0.00 . 1 . . . . A 7 DSN CA . 34841 1
71 . 1 . 1 7 7 DSN CB C 13 61.5 0.00 . 1 . . . . A 7 DSN CB . 34841 1
72 . 1 . 1 7 7 DSN HA H 1 4.27 0.00 . 4 . . . . A 7 DSN HA . 34841 1
73 . 1 . 1 7 7 DSN HB2 H 1 4.27 0.00 . 2 . . . . A 7 DSN HB2 . 34841 1
74 . 1 . 1 7 7 DSN HB3 H 1 4.19 0.00 . 2 . . . . A 7 DSN HB3 . 34841 1
75 . 1 . 1 8 8 LEU H H 1 7.32 0.00 . 1 . . . . A 8 LEU H . 34841 1
76 . 1 . 1 8 8 LEU HA H 1 4.29 0.00 . 1 . . . . A 8 LEU HA . 34841 1
77 . 1 . 1 8 8 LEU HB2 H 1 1.89 0.00 . 2 . . . . A 8 LEU HB2 . 34841 1
78 . 1 . 1 8 8 LEU HB3 H 1 1.73 0.00 . 2 . . . . A 8 LEU HB3 . 34841 1
79 . 1 . 1 8 8 LEU HG H 1 1.89 0.00 . 4 . . . . A 8 LEU HG . 34841 1
80 . 1 . 1 8 8 LEU HD11 H 1 1.02 0.00 . 2 . . . . A 8 LEU HD11 . 34841 1
81 . 1 . 1 8 8 LEU HD12 H 1 1.02 0.00 . 2 . . . . A 8 LEU HD12 . 34841 1
82 . 1 . 1 8 8 LEU HD13 H 1 1.02 0.00 . 2 . . . . A 8 LEU HD13 . 34841 1
83 . 1 . 1 8 8 LEU HD21 H 1 0.98 0.00 . 2 . . . . A 8 LEU HD21 . 34841 1
84 . 1 . 1 8 8 LEU HD22 H 1 0.98 0.00 . 2 . . . . A 8 LEU HD22 . 34841 1
85 . 1 . 1 8 8 LEU HD23 H 1 0.98 0.00 . 2 . . . . A 8 LEU HD23 . 34841 1
86 . 1 . 1 8 8 LEU CA C 13 53.5 0.00 . 1 . . . . A 8 LEU CA . 34841 1
87 . 1 . 1 8 8 LEU CB C 13 40.3 0.00 . 1 . . . . A 8 LEU CB . 34841 1
88 . 1 . 1 8 8 LEU CG C 13 24.6 0.00 . 1 . . . . A 8 LEU CG . 34841 1
89 . 1 . 1 8 8 LEU CD1 C 13 23.1 0.00 . 2 . . . . A 8 LEU CD1 . 34841 1
90 . 1 . 1 8 8 LEU CD2 C 13 22.1 0.00 . 2 . . . . A 8 LEU CD2 . 34841 1
91 . 1 . 1 9 9 DSN H H 1 8.20 0.00 . 1 . . . . A 9 DSN H . 34841 1
92 . 1 . 1 9 9 DSN CA C 13 57.4 0.00 . 1 . . . . A 9 DSN CA . 34841 1
93 . 1 . 1 9 9 DSN CB C 13 61.2 0.00 . 1 . . . . A 9 DSN CB . 34841 1
94 . 1 . 1 9 9 DSN HA H 1 4.27 0.00 . 1 . . . . A 9 DSN HA . 34841 1
95 . 1 . 1 9 9 DSN HB2 H 1 3.88 0.00 . 2 . . . . A 9 DSN HB2 . 34841 1
96 . 1 . 1 9 9 DSN HB3 H 1 3.80 0.00 . 2 . . . . A 9 DSN HB3 . 34841 1
97 . 1 . 1 10 10 ILE H H 1 8.13 0.00 . 1 . . . . A 10 ILE H . 34841 1
98 . 1 . 1 10 10 ILE HA H 1 4.16 0.00 . 1 . . . . A 10 ILE HA . 34841 1
99 . 1 . 1 10 10 ILE HB H 1 1.76 0.00 . 1 . . . . A 10 ILE HB . 34841 1
100 . 1 . 1 10 10 ILE HG12 H 1 1.60 0.00 . 1 . . . . A 10 ILE HG12 . 34841 1
101 . 1 . 1 10 10 ILE HG13 H 1 1.13 0.00 . 1 . . . . A 10 ILE HG13 . 34841 1
102 . 1 . 1 10 10 ILE HG21 H 1 1.00 0.00 . 1 . . . . A 10 ILE HG21 . 34841 1
103 . 1 . 1 10 10 ILE HG22 H 1 1.00 0.00 . 1 . . . . A 10 ILE HG22 . 34841 1
104 . 1 . 1 10 10 ILE HG23 H 1 1.00 0.00 . 1 . . . . A 10 ILE HG23 . 34841 1
105 . 1 . 1 10 10 ILE HD11 H 1 0.93 0.00 . 1 . . . . A 10 ILE HD11 . 34841 1
106 . 1 . 1 10 10 ILE HD12 H 1 0.93 0.00 . 1 . . . . A 10 ILE HD12 . 34841 1
107 . 1 . 1 10 10 ILE HD13 H 1 0.93 0.00 . 1 . . . . A 10 ILE HD13 . 34841 1
108 . 1 . 1 10 10 ILE CA C 13 60.3 0.00 . 1 . . . . A 10 ILE CA . 34841 1
109 . 1 . 1 10 10 ILE CB C 13 36.9 0.00 . 1 . . . . A 10 ILE CB . 34841 1
110 . 1 . 1 10 10 ILE CG1 C 13 24.9 0.00 . 1 . . . . A 10 ILE CG1 . 34841 1
111 . 1 . 1 10 10 ILE CG2 C 13 15.2 0.00 . 1 . . . . A 10 ILE CG2 . 34841 1
112 . 1 . 1 10 10 ILE CD1 C 13 10.9 0.00 . 1 . . . . A 10 ILE CD1 . 34841 1
113 . 1 . 1 11 11 ILE H H 1 7.36 0.00 . 1 . . . . A 11 ILE H . 34841 1
114 . 1 . 1 11 11 ILE HA H 1 4.40 0.00 . 1 . . . . A 11 ILE HA . 34841 1
115 . 1 . 1 11 11 ILE HB H 1 1.78 0.00 . 1 . . . . A 11 ILE HB . 34841 1
116 . 1 . 1 11 11 ILE HG12 H 1 1.53 0.00 . 1 . . . . A 11 ILE HG12 . 34841 1
117 . 1 . 1 11 11 ILE HG13 H 1 1.15 0.00 . 1 . . . . A 11 ILE HG13 . 34841 1
118 . 1 . 1 11 11 ILE HG21 H 1 0.98 0.00 . 1 . . . . A 11 ILE HG21 . 34841 1
119 . 1 . 1 11 11 ILE HG22 H 1 0.98 0.00 . 1 . . . . A 11 ILE HG22 . 34841 1
120 . 1 . 1 11 11 ILE HG23 H 1 0.98 0.00 . 1 . . . . A 11 ILE HG23 . 34841 1
121 . 1 . 1 11 11 ILE HD11 H 1 0.93 0.00 . 1 . . . . A 11 ILE HD11 . 34841 1
122 . 1 . 1 11 11 ILE HD12 H 1 0.93 0.00 . 1 . . . . A 11 ILE HD12 . 34841 1
123 . 1 . 1 11 11 ILE HD13 H 1 0.93 0.00 . 1 . . . . A 11 ILE HD13 . 34841 1
124 . 1 . 1 11 11 ILE CA C 13 56.6 0.00 . 1 . . . . A 11 ILE CA . 34841 1
125 . 1 . 1 11 11 ILE CB C 13 39.3 0.00 . 1 . . . . A 11 ILE CB . 34841 1
126 . 1 . 1 11 11 ILE CG1 C 13 24.8 0.00 . 1 . . . . A 11 ILE CG1 . 34841 1
127 . 1 . 1 11 11 ILE CG2 C 13 15.1 0.00 . 1 . . . . A 11 ILE CG2 . 34841 1
128 . 1 . 1 11 11 ILE CD1 C 13 11.4 0.00 . 1 . . . . A 11 ILE CD1 . 34841 1
129 . 1 . 1 12 12 ASP H H 1 8.90 0.00 . 1 . . . . A 12 ASP H . 34841 1
130 . 1 . 1 12 12 ASP HA H 1 4.42 0.00 . 1 . . . . A 12 ASP HA . 34841 1
131 . 1 . 1 12 12 ASP HB2 H 1 2.80 0.00 . 2 . . . . A 12 ASP HB2 . 34841 1
132 . 1 . 1 12 12 ASP HB3 H 1 2.80 0.00 . 2 . . . . A 12 ASP HB3 . 34841 1
133 . 1 . 1 12 12 ASP CA C 13 51.4 0.00 . 1 . . . . A 12 ASP CA . 34841 1
134 . 1 . 1 12 12 ASP CB C 13 36.4 0.00 . 1 . . . . A 12 ASP CB . 34841 1
stop_
save_