###################################
# 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 18658
_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' . . . 18658 1
2 '2D 1H-1H NOESY' . . . 18658 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 MET H H 1 8.286 0.002 . 1 . . . A 1 MET H1 . 18658 1
2 . 1 1 1 1 MET HA H 1 4.379 0.000 . 1 . . . A 1 MET HA . 18658 1
3 . 1 1 1 1 MET HB2 H 1 2.120 0.004 . 2 . . . A 1 MET HB2 . 18658 1
4 . 1 1 1 1 MET HB3 H 1 2.052 0.000 . 2 . . . A 1 MET HB3 . 18658 1
5 . 1 1 1 1 MET HG2 H 1 2.607 0.001 . 2 . . . A 1 MET HG2 . 18658 1
6 . 1 1 2 2 GLY H H 1 8.461 0.001 . 1 . . . A 2 GLY H . 18658 1
7 . 1 1 2 2 GLY HA2 H 1 4.053 0.002 . 2 . . . A 2 GLY HA2 . 18658 1
8 . 1 1 2 2 GLY HA3 H 1 3.974 0.005 . 2 . . . A 2 GLY HA3 . 18658 1
9 . 1 1 3 3 SER H H 1 8.075 0.003 . 1 . . . A 3 SER H . 18658 1
10 . 1 1 3 3 SER HA H 1 4.397 0.002 . 1 . . . A 3 SER HA . 18658 1
11 . 1 1 3 3 SER HB2 H 1 4.039 0.000 . 2 . . . A 3 SER HB2 . 18658 1
12 . 1 1 3 3 SER HB3 H 1 3.974 0.003 . 2 . . . A 3 SER HB3 . 18658 1
13 . 1 1 4 4 LEU H H 1 7.915 0.004 . 1 . . . A 4 LEU H . 18658 1
14 . 1 1 4 4 LEU HA H 1 4.258 0.002 . 1 . . . A 4 LEU HA . 18658 1
15 . 1 1 4 4 LEU HB2 H 1 1.636 0.001 . 2 . . . A 4 LEU HB2 . 18658 1
16 . 1 1 4 4 LEU HB3 H 1 1.565 0.000 . 2 . . . A 4 LEU HB3 . 18658 1
17 . 1 1 4 4 LEU HD11 H 1 0.946 0.009 . 2 . . . A 4 LEU HD11 . 18658 1
18 . 1 1 4 4 LEU HD12 H 1 0.946 0.009 . 2 . . . A 4 LEU HD12 . 18658 1
19 . 1 1 4 4 LEU HD13 H 1 0.946 0.009 . 2 . . . A 4 LEU HD13 . 18658 1
20 . 1 1 4 4 LEU HD21 H 1 0.869 0.000 . 2 . . . A 4 LEU HD21 . 18658 1
21 . 1 1 4 4 LEU HD22 H 1 0.869 0.000 . 2 . . . A 4 LEU HD22 . 18658 1
22 . 1 1 4 4 LEU HD23 H 1 0.869 0.000 . 2 . . . A 4 LEU HD23 . 18658 1
23 . 1 1 5 5 PHE H H 1 7.956 0.001 . 1 . . . A 5 PHE H . 18658 1
24 . 1 1 5 5 PHE HA H 1 4.581 0.002 . 1 . . . A 5 PHE HA . 18658 1
25 . 1 1 5 5 PHE HB2 H 1 3.279 0.004 . 2 . . . A 5 PHE HB2 . 18658 1
26 . 1 1 5 5 PHE HB3 H 1 3.141 0.010 . 2 . . . A 5 PHE HB3 . 18658 1
27 . 1 1 5 5 PHE HD1 H 1 7.275 0.002 . 3 . . . A 5 PHE HD1 . 18658 1
28 . 1 1 5 5 PHE HE1 H 1 7.317 0.031 . 3 . . . A 5 PHE HE1 . 18658 1
29 . 1 1 6 6 ARG H H 1 8.086 0.004 . 1 . . . A 6 ARG H . 18658 1
30 . 1 1 6 6 ARG HA H 1 4.259 0.002 . 1 . . . A 6 ARG HA . 18658 1
31 . 1 1 6 6 ARG HB2 H 1 2.037 0.004 . 2 . . . A 6 ARG HB2 . 18658 1
32 . 1 1 6 6 ARG HB3 H 1 1.962 0.004 . 2 . . . A 6 ARG HB3 . 18658 1
33 . 1 1 6 6 ARG HG2 H 1 1.801 0.000 . 2 . . . A 6 ARG HG2 . 18658 1
34 . 1 1 7 7 SER H H 1 8.250 0.002 . 1 . . . A 7 SER H . 18658 1
35 . 1 1 7 7 SER HA H 1 4.364 0.001 . 1 . . . A 7 SER HA . 18658 1
36 . 1 1 7 7 SER HB2 H 1 4.106 0.004 . 2 . . . A 7 SER HB2 . 18658 1
37 . 1 1 7 7 SER HB3 H 1 4.018 0.001 . 2 . . . A 7 SER HB3 . 18658 1
38 . 1 1 8 8 GLU H H 1 8.968 0.001 . 1 . . . A 8 GLU H . 18658 1
39 . 1 1 8 8 GLU HA H 1 4.175 0.002 . 1 . . . A 8 GLU HA . 18658 1
40 . 1 1 8 8 GLU HB2 H 1 2.158 0.001 . 2 . . . A 8 GLU HB2 . 18658 1
41 . 1 1 8 8 GLU HG2 H 1 2.446 0.003 . 2 . . . A 8 GLU HG2 . 18658 1
42 . 1 1 9 9 SER H H 1 8.156 0.002 . 1 . . . A 9 SER H . 18658 1
43 . 1 1 9 9 SER HA H 1 4.236 0.001 . 1 . . . A 9 SER HA . 18658 1
44 . 1 1 9 9 SER HB2 H 1 4.023 0.001 . 2 . . . A 9 SER HB2 . 18658 1
45 . 1 1 9 9 SER HB3 H 1 3.920 0.001 . 2 . . . A 9 SER HB3 . 18658 1
46 . 1 1 10 10 MET H H 1 7.945 0.003 . 1 . . . A 10 MET H . 18658 1
47 . 1 1 10 10 MET HA H 1 4.401 0.004 . 1 . . . A 10 MET HA . 18658 1
48 . 1 1 10 10 MET HB2 H 1 2.255 0.004 . 2 . . . A 10 MET HB2 . 18658 1
49 . 1 1 10 10 MET HG2 H 1 2.768 0.001 . 2 . . . A 10 MET HG2 . 18658 1
50 . 1 1 10 10 MET HG3 H 1 2.631 0.001 . 2 . . . A 10 MET HG3 . 18658 1
51 . 1 1 11 11 CYS H H 1 8.036 0.003 . 1 . . . A 11 CYS H . 18658 1
52 . 1 1 11 11 CYS HA H 1 4.273 0.005 . 1 . . . A 11 CYS HA . 18658 1
53 . 1 1 11 11 CYS HB2 H 1 3.165 0.001 . 2 . . . A 11 CYS HB2 . 18658 1
54 . 1 1 11 11 CYS HB3 H 1 2.990 0.003 . 2 . . . A 11 CYS HB3 . 18658 1
55 . 1 1 12 12 LEU H H 1 8.130 0.002 . 1 . . . A 12 LEU H . 18658 1
56 . 1 1 12 12 LEU HA H 1 4.132 0.001 . 1 . . . A 12 LEU HA . 18658 1
57 . 1 1 12 12 LEU HB2 H 1 1.622 0.000 . 2 . . . A 12 LEU HB2 . 18658 1
58 . 1 1 12 12 LEU HD11 H 1 0.935 0.000 . 2 . . . A 12 LEU HD11 . 18658 1
59 . 1 1 12 12 LEU HD12 H 1 0.935 0.000 . 2 . . . A 12 LEU HD12 . 18658 1
60 . 1 1 12 12 LEU HD13 H 1 0.935 0.000 . 2 . . . A 12 LEU HD13 . 18658 1
61 . 1 1 13 13 ALA H H 1 8.026 0.001 . 1 . . . A 13 ALA H . 18658 1
62 . 1 1 13 13 ALA HA H 1 4.145 0.004 . 1 . . . A 13 ALA HA . 18658 1
63 . 1 1 13 13 ALA HB1 H 1 1.585 0.006 . 1 . . . A 13 ALA HB1 . 18658 1
64 . 1 1 13 13 ALA HB2 H 1 1.585 0.006 . 1 . . . A 13 ALA HB2 . 18658 1
65 . 1 1 13 13 ALA HB3 H 1 1.585 0.006 . 1 . . . A 13 ALA HB3 . 18658 1
66 . 1 1 14 14 GLN H H 1 7.922 0.004 . 1 . . . A 14 GLN H . 18658 1
67 . 1 1 14 14 GLN HA H 1 4.078 0.004 . 1 . . . A 14 GLN HA . 18658 1
68 . 1 1 14 14 GLN HB2 H 1 2.334 0.001 . 2 . . . A 14 GLN HB2 . 18658 1
69 . 1 1 14 14 GLN HB3 H 1 2.250 0.005 . 2 . . . A 14 GLN HB3 . 18658 1
70 . 1 1 14 14 GLN HG2 H 1 2.590 0.004 . 2 . . . A 14 GLN HG2 . 18658 1
71 . 1 1 14 14 GLN HG3 H 1 2.450 0.003 . 2 . . . A 14 GLN HG3 . 18658 1
72 . 1 1 14 14 GLN HE21 H 1 6.552 0.001 . 2 . . . A 14 GLN HE21 . 18658 1
73 . 1 1 14 14 GLN HE22 H 1 6.976 0.001 . 2 . . . A 14 GLN HE22 . 18658 1
74 . 1 1 15 15 LEU H H 1 8.059 0.002 . 1 . . . A 15 LEU H . 18658 1
75 . 1 1 15 15 LEU HA H 1 4.198 0.005 . 1 . . . A 15 LEU HA . 18658 1
76 . 1 1 15 15 LEU HD11 H 1 0.954 0.003 . 2 . . . A 15 LEU HD11 . 18658 1
77 . 1 1 15 15 LEU HD12 H 1 0.954 0.003 . 2 . . . A 15 LEU HD12 . 18658 1
78 . 1 1 15 15 LEU HD13 H 1 0.954 0.003 . 2 . . . A 15 LEU HD13 . 18658 1
79 . 1 1 15 15 LEU HD21 H 1 0.892 0.003 . 2 . . . A 15 LEU HD21 . 18658 1
80 . 1 1 15 15 LEU HD22 H 1 0.892 0.003 . 2 . . . A 15 LEU HD22 . 18658 1
81 . 1 1 15 15 LEU HD23 H 1 0.892 0.003 . 2 . . . A 15 LEU HD23 . 18658 1
82 . 1 1 16 16 PHE H H 1 8.529 0.001 . 1 . . . A 16 PHE H . 18658 1
83 . 1 1 16 16 PHE HA H 1 4.419 0.006 . 1 . . . A 16 PHE HA . 18658 1
84 . 1 1 16 16 PHE HB2 H 1 3.300 0.010 . 2 . . . A 16 PHE HB2 . 18658 1
85 . 1 1 16 16 PHE HD1 H 1 7.274 0.002 . 3 . . . A 16 PHE HD1 . 18658 1
86 . 1 1 16 16 PHE HE1 H 1 7.317 0.001 . 3 . . . A 16 PHE HE1 . 18658 1
87 . 1 1 17 17 LEU H H 1 8.484 0.003 . 1 . . . A 17 LEU H . 18658 1
88 . 1 1 17 17 LEU HA H 1 4.089 0.002 . 1 . . . A 17 LEU HA . 18658 1
89 . 1 1 17 17 LEU HB2 H 1 1.925 0.002 . 2 . . . A 17 LEU HB2 . 18658 1
90 . 1 1 17 17 LEU HG H 1 1.530 0.000 . 1 . . . A 17 LEU HG . 18658 1
91 . 1 1 17 17 LEU HD11 H 1 0.955 0.024 . 2 . . . A 17 LEU HD11 . 18658 1
92 . 1 1 17 17 LEU HD12 H 1 0.955 0.024 . 2 . . . A 17 LEU HD12 . 18658 1
93 . 1 1 17 17 LEU HD13 H 1 0.955 0.024 . 2 . . . A 17 LEU HD13 . 18658 1
94 . 1 1 17 17 LEU HD21 H 1 0.896 0.005 . 2 . . . A 17 LEU HD21 . 18658 1
95 . 1 1 17 17 LEU HD22 H 1 0.896 0.005 . 2 . . . A 17 LEU HD22 . 18658 1
96 . 1 1 17 17 LEU HD23 H 1 0.896 0.005 . 2 . . . A 17 LEU HD23 . 18658 1
stop_
save_