###################################
# 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 31119
_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 1D . . . 31119 1
2 '2D COSY' . . . 31119 1
3 '2D TOCSY' . . . 31119 1
4 '2D NOESY' . . . 31119 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 ACE H1 H 1 2.01 . . 1 . . . . A 775 ACE H1 . 31119 1
2 . 1 . 1 2 2 LEU H H 1 8.00 . . 1 . . . . A 776 LEU H . 31119 1
3 . 1 . 1 2 2 LEU HA H 1 4.16 . . 1 . . . . A 776 LEU HA . 31119 1
4 . 1 . 1 2 2 LEU HB2 H 1 1.55 . . . . . . . A 776 LEU HB2 . 31119 1
5 . 1 . 1 2 2 LEU HB3 H 1 1.55 . . . . . . . A 776 LEU HB3 . 31119 1
6 . 1 . 1 2 2 LEU HG H 1 1.55 . . 1 . . . . A 776 LEU HG . 31119 1
7 . 1 . 1 2 2 LEU HD11 H 1 0.86 . . . . . . . A 776 LEU HD11 . 31119 1
8 . 1 . 1 2 2 LEU HD12 H 1 0.86 . . . . . . . A 776 LEU HD12 . 31119 1
9 . 1 . 1 2 2 LEU HD13 H 1 0.86 . . . . . . . A 776 LEU HD13 . 31119 1
10 . 1 . 1 2 2 LEU HD21 H 1 0.86 . . . . . . . A 776 LEU HD21 . 31119 1
11 . 1 . 1 2 2 LEU HD22 H 1 0.86 . . . . . . . A 776 LEU HD22 . 31119 1
12 . 1 . 1 2 2 LEU HD23 H 1 0.86 . . . . . . . A 776 LEU HD23 . 31119 1
13 . 1 . 1 3 3 ASP H H 1 8.07 . . 1 . . . . A 777 ASP H . 31119 1
14 . 1 . 1 3 3 ASP HA H 1 4.51 . . 1 . . . . A 777 ASP HA . 31119 1
15 . 1 . 1 3 3 ASP HB2 H 1 2.86 . . . . . . . A 777 ASP HB2 . 31119 1
16 . 1 . 1 3 3 ASP HB3 H 1 2.86 . . . . . . . A 777 ASP HB3 . 31119 1
17 . 1 . 1 4 4 ALA H H 1 8.05 . . 1 . . . . A 778 ALA H . 31119 1
18 . 1 . 1 4 4 ALA HA H 1 4.00 . . 1 . . . . A 778 ALA HA . 31119 1
19 . 1 . 1 4 4 ALA HB1 H 1 1.42 . . 1 . . . . A 778 ALA HB1 . 31119 1
20 . 1 . 1 4 4 ALA HB2 H 1 1.42 . . 1 . . . . A 778 ALA HB2 . 31119 1
21 . 1 . 1 4 4 ALA HB3 H 1 1.42 . . 1 . . . . A 778 ALA HB3 . 31119 1
22 . 1 . 1 5 5 ALA H H 1 7.94 . . 1 . . . . A 779 ALA H . 31119 1
23 . 1 . 1 5 5 ALA HA H 1 4.10 . . 1 . . . . A 779 ALA HA . 31119 1
24 . 1 . 1 5 5 ALA HB1 H 1 1.43 . . 1 . . . . A 779 ALA HB1 . 31119 1
25 . 1 . 1 5 5 ALA HB2 H 1 1.43 . . 1 . . . . A 779 ALA HB2 . 31119 1
26 . 1 . 1 5 5 ALA HB3 H 1 1.43 . . 1 . . . . A 779 ALA HB3 . 31119 1
27 . 1 . 1 6 6 LEU H H 1 7.78 . . 1 . . . . A 780 LEU H . 31119 1
28 . 1 . 1 6 6 LEU HA H 1 4.10 . . 1 . . . . A 780 LEU HA . 31119 1
29 . 1 . 1 6 6 LEU HB2 H 1 1.73 . . . . . . . A 780 LEU HB2 . 31119 1
30 . 1 . 1 6 6 LEU HB3 H 1 1.73 . . . . . . . A 780 LEU HB3 . 31119 1
31 . 1 . 1 6 6 LEU HG H 1 1.58 . . 1 . . . . A 780 LEU HG . 31119 1
32 . 1 . 1 6 6 LEU HD11 H 1 0.88 . . . . . . . A 780 LEU HD11 . 31119 1
33 . 1 . 1 6 6 LEU HD12 H 1 0.88 . . . . . . . A 780 LEU HD12 . 31119 1
34 . 1 . 1 6 6 LEU HD13 H 1 0.88 . . . . . . . A 780 LEU HD13 . 31119 1
35 . 1 . 1 6 6 LEU HD21 H 1 0.88 . . . . . . . A 780 LEU HD21 . 31119 1
36 . 1 . 1 6 6 LEU HD22 H 1 0.88 . . . . . . . A 780 LEU HD22 . 31119 1
37 . 1 . 1 6 6 LEU HD23 H 1 0.88 . . . . . . . A 780 LEU HD23 . 31119 1
38 . 1 . 1 7 7 LEU H H 1 7.75 . . 1 . . . . A 781 LEU H . 31119 1
39 . 1 . 1 7 7 LEU HA H 1 4.03 . . 1 . . . . A 781 LEU HA . 31119 1
40 . 1 . 1 7 7 LEU HB2 H 1 1.69 . . . . . . . A 781 LEU HB2 . 31119 1
41 . 1 . 1 7 7 LEU HB3 H 1 1.69 . . . . . . . A 781 LEU HB3 . 31119 1
42 . 1 . 1 7 7 LEU HG H 1 1.53 . . 1 . . . . A 781 LEU HG . 31119 1
43 . 1 . 1 7 7 LEU HD11 H 1 0.83 . . . . . . . A 781 LEU HD11 . 31119 1
44 . 1 . 1 7 7 LEU HD12 H 1 0.83 . . . . . . . A 781 LEU HD12 . 31119 1
45 . 1 . 1 7 7 LEU HD13 H 1 0.83 . . . . . . . A 781 LEU HD13 . 31119 1
46 . 1 . 1 7 7 LEU HD21 H 1 0.83 . . . . . . . A 781 LEU HD21 . 31119 1
47 . 1 . 1 7 7 LEU HD22 H 1 0.83 . . . . . . . A 781 LEU HD22 . 31119 1
48 . 1 . 1 7 7 LEU HD23 H 1 0.83 . . . . . . . A 781 LEU HD23 . 31119 1
49 . 1 . 1 8 8 ALA H H 1 7.83 . . 1 . . . . A 782 ALA H . 31119 1
50 . 1 . 1 8 8 ALA HA H 1 4.03 . . 1 . . . . A 782 ALA HA . 31119 1
51 . 1 . 1 8 8 ALA HB1 H 1 1.43 . . 1 . . . . A 782 ALA HB1 . 31119 1
52 . 1 . 1 8 8 ALA HB2 H 1 1.43 . . 1 . . . . A 782 ALA HB2 . 31119 1
53 . 1 . 1 8 8 ALA HB3 H 1 1.43 . . 1 . . . . A 782 ALA HB3 . 31119 1
54 . 1 . 1 9 9 ALA H H 1 7.77 . . 1 . . . . A 783 ALA H . 31119 1
55 . 1 . 1 9 9 ALA HA H 1 4.05 . . 1 . . . . A 783 ALA HA . 31119 1
56 . 1 . 1 9 9 ALA HB1 H 1 1.40 . . 1 . . . . A 783 ALA HB1 . 31119 1
57 . 1 . 1 9 9 ALA HB2 H 1 1.40 . . 1 . . . . A 783 ALA HB2 . 31119 1
58 . 1 . 1 9 9 ALA HB3 H 1 1.40 . . 1 . . . . A 783 ALA HB3 . 31119 1
59 . 1 . 1 10 10 ALA H H 1 7.96 . . 1 . . . . A 784 ALA H . 31119 1
60 . 1 . 1 10 10 ALA HA H 1 3.90 . . 1 . . . . A 784 ALA HA . 31119 1
61 . 1 . 1 10 10 ALA HB1 H 1 1.38 . . 1 . . . . A 784 ALA HB1 . 31119 1
62 . 1 . 1 10 10 ALA HB2 H 1 1.38 . . 1 . . . . A 784 ALA HB2 . 31119 1
63 . 1 . 1 10 10 ALA HB3 H 1 1.38 . . 1 . . . . A 784 ALA HB3 . 31119 1
64 . 1 . 1 11 11 LYS H H 1 7.76 . . 1 . . . . A 785 LYS H . 31119 1
65 . 1 . 1 11 11 LYS HA H 1 4.03 . . 1 . . . . A 785 LYS HA . 31119 1
66 . 1 . 1 11 11 LYS HB2 H 1 1.77 . . . . . . . A 785 LYS HB2 . 31119 1
67 . 1 . 1 11 11 LYS HB3 H 1 1.77 . . . . . . . A 785 LYS HB3 . 31119 1
68 . 1 . 1 11 11 LYS HG2 H 1 1.37 . . . . . . . A 785 LYS HG2 . 31119 1
69 . 1 . 1 11 11 LYS HG3 H 1 1.45 . . . . . . . A 785 LYS HG3 . 31119 1
70 . 1 . 1 11 11 LYS HD2 H 1 1.60 . . . . . . . A 785 LYS HD2 . 31119 1
71 . 1 . 1 11 11 LYS HD3 H 1 1.60 . . . . . . . A 785 LYS HD3 . 31119 1
72 . 1 . 1 11 11 LYS HE2 H 1 2.90 . . . . . . . A 785 LYS HE2 . 31119 1
73 . 1 . 1 11 11 LYS HE3 H 1 2.90 . . . . . . . A 785 LYS HE3 . 31119 1
74 . 1 . 1 11 11 LYS HZ1 H 1 7.50 . . 1 . . . . A 785 LYS HZ1 . 31119 1
75 . 1 . 1 11 11 LYS HZ2 H 1 7.50 . . 1 . . . . A 785 LYS HZ2 . 31119 1
76 . 1 . 1 11 11 LYS HZ3 H 1 7.50 . . 1 . . . . A 785 LYS HZ3 . 31119 1
77 . 1 . 1 12 12 ALA H H 1 7.67 . . 1 . . . . A 786 ALA H . 31119 1
78 . 1 . 1 12 12 ALA HA H 1 4.14 . . 1 . . . . A 786 ALA HA . 31119 1
79 . 1 . 1 12 12 ALA HB1 H 1 1.25 . . 1 . . . . A 786 ALA HB1 . 31119 1
80 . 1 . 1 12 12 ALA HB2 H 1 1.25 . . 1 . . . . A 786 ALA HB2 . 31119 1
81 . 1 . 1 12 12 ALA HB3 H 1 1.25 . . 1 . . . . A 786 ALA HB3 . 31119 1
82 . 1 . 1 13 13 TRP H H 1 7.76 . . 1 . . . . A 787 TRP H . 31119 1
83 . 1 . 1 13 13 TRP HA H 1 4.59 . . 1 . . . . A 787 TRP HA . 31119 1
84 . 1 . 1 13 13 TRP HB2 H 1 3.22 . . . . . . . A 787 TRP HB2 . 31119 1
85 . 1 . 1 13 13 TRP HB3 H 1 3.32 . . . . . . . A 787 TRP HB3 . 31119 1
86 . 1 . 1 13 13 TRP HD1 H 1 7.17 . . 1 . . . . A 787 TRP HD1 . 31119 1
87 . 1 . 1 13 13 TRP HE1 H 1 9.84 . . 1 . . . . A 787 TRP HE1 . 31119 1
88 . 1 . 1 13 13 TRP HE3 H 1 7.61 . . 1 . . . . A 787 TRP HE3 . 31119 1
89 . 1 . 1 13 13 TRP HZ2 H 1 7.40 . . 1 . . . . A 787 TRP HZ2 . 31119 1
90 . 1 . 1 13 13 TRP HZ3 H 1 7.07 . . 1 . . . . A 787 TRP HZ3 . 31119 1
91 . 1 . 1 13 13 TRP HH2 H 1 7.15 . . 1 . . . . A 787 TRP HH2 . 31119 1
92 . 1 . 1 14 14 NH2 HN1 H 1 6.92 . . 1 . . . . A 788 NH2 HN1 . 31119 1
93 . 1 . 1 14 14 NH2 HN2 H 1 7.20 . . 1 . . . . A 788 NH2 HN2 . 31119 1
stop_
save_