###################################
# 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_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 1655
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1655 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 CYS HA H 1 4.25 . . 1 . . . . . . . . 1655 1
2 . 1 1 2 2 SER H H 1 8.58 . . 1 . . . . . . . . 1655 1
3 . 1 1 2 2 SER HA H 1 4.61 . . 1 . . . . . . . . 1655 1
4 . 1 1 2 2 SER HB2 H 1 3.76 . . 2 . . . . . . . . 1655 1
5 . 1 1 2 2 SER HB3 H 1 3.8 . . 2 . . . . . . . . 1655 1
6 . 1 1 3 3 CYS H H 1 7.86 . . 1 . . . . . . . . 1655 1
7 . 1 1 3 3 CYS HA H 1 4.86 . . 1 . . . . . . . . 1655 1
8 . 1 1 3 3 CYS HB2 H 1 2.63 . . 2 . . . . . . . . 1655 1
9 . 1 1 3 3 CYS HB3 H 1 3.19 . . 2 . . . . . . . . 1655 1
10 . 1 1 4 4 SER H H 1 8.64 . . 1 . . . . . . . . 1655 1
11 . 1 1 4 4 SER HA H 1 4.26 . . 1 . . . . . . . . 1655 1
12 . 1 1 4 4 SER HB2 H 1 3.82 . . 2 . . . . . . . . 1655 1
13 . 1 1 4 4 SER HB3 H 1 3.9 . . 2 . . . . . . . . 1655 1
14 . 1 1 5 5 SER H H 1 7.63 . . 1 . . . . . . . . 1655 1
15 . 1 1 5 5 SER HA H 1 4.46 . . 1 . . . . . . . . 1655 1
16 . 1 1 5 5 SER HB2 H 1 3.65 . . 2 . . . . . . . . 1655 1
17 . 1 1 5 5 SER HB3 H 1 3.9 . . 2 . . . . . . . . 1655 1
18 . 1 1 6 6 LEU H H 1 8.23 . . 1 . . . . . . . . 1655 1
19 . 1 1 6 6 LEU HA H 1 4.06 . . 1 . . . . . . . . 1655 1
20 . 1 1 6 6 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 1655 1
21 . 1 1 6 6 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 1655 1
22 . 1 1 7 7 NLE H H 1 7.75 . . 1 . . . . . . . . 1655 1
23 . 1 1 7 7 NLE HA H 1 4.11 . . 1 . . . . . . . . 1655 1
24 . 1 1 7 7 NLE HB2 H 1 1.87 . . 2 . . . . . . . . 1655 1
25 . 1 1 7 7 NLE HB3 H 1 1.59 . . 2 . . . . . . . . 1655 1
26 . 1 1 7 7 NLE HG2 H 1 1.23 . . 1 . . . . . . . . 1655 1
27 . 1 1 7 7 NLE HG3 H 1 1.23 . . 1 . . . . . . . . 1655 1
28 . 1 1 7 7 NLE HD2 H 1 1.23 . . 1 . . . . . . . . 1655 1
29 . 1 1 7 7 NLE HD3 H 1 1.23 . . 1 . . . . . . . . 1655 1
30 . 1 1 7 7 NLE HE1 H 1 .87 . . 1 . . . . . . . . 1655 1
31 . 1 1 7 7 NLE HE2 H 1 .87 . . 1 . . . . . . . . 1655 1
32 . 1 1 7 7 NLE HE3 H 1 .87 . . 1 . . . . . . . . 1655 1
33 . 1 1 8 8 ASP H H 1 7.35 . . 1 . . . . . . . . 1655 1
34 . 1 1 8 8 ASP HA H 1 4.65 . . 1 . . . . . . . . 1655 1
35 . 1 1 8 8 ASP HB2 H 1 3.15 . . 2 . . . . . . . . 1655 1
36 . 1 1 8 8 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 1655 1
37 . 1 1 9 9 LYS H H 1 8.11 . . 1 . . . . . . . . 1655 1
38 . 1 1 9 9 LYS HA H 1 3.85 . . 1 . . . . . . . . 1655 1
39 . 1 1 9 9 LYS HB2 H 1 1.8 . . 1 . . . . . . . . 1655 1
40 . 1 1 9 9 LYS HB3 H 1 1.8 . . 1 . . . . . . . . 1655 1
41 . 1 1 9 9 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 1655 1
42 . 1 1 9 9 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 1655 1
43 . 1 1 9 9 LYS HE2 H 1 3.93 . . 1 . . . . . . . . 1655 1
44 . 1 1 9 9 LYS HE3 H 1 3.93 . . 1 . . . . . . . . 1655 1
45 . 1 1 10 10 GLU H H 1 8.19 . . 1 . . . . . . . . 1655 1
46 . 1 1 10 10 GLU HA H 1 4.11 . . 1 . . . . . . . . 1655 1
47 . 1 1 10 10 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 1655 1
48 . 1 1 10 10 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 1655 1
49 . 1 1 10 10 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 1655 1
50 . 1 1 10 10 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 1655 1
51 . 1 1 11 11 CYS H H 1 7.57 . . 1 . . . . . . . . 1655 1
52 . 1 1 11 11 CYS HA H 1 4.25 . . 1 . . . . . . . . 1655 1
53 . 1 1 12 12 VAL H H 1 7.97 . . 1 . . . . . . . . 1655 1
54 . 1 1 12 12 VAL HA H 1 3.52 . . 1 . . . . . . . . 1655 1
55 . 1 1 12 12 VAL HB H 1 2 . . 1 . . . . . . . . 1655 1
56 . 1 1 12 12 VAL HG11 H 1 .81 . . 2 . . . . . . . . 1655 1
57 . 1 1 12 12 VAL HG12 H 1 .81 . . 2 . . . . . . . . 1655 1
58 . 1 1 12 12 VAL HG13 H 1 .81 . . 2 . . . . . . . . 1655 1
59 . 1 1 12 12 VAL HG21 H 1 .94 . . 2 . . . . . . . . 1655 1
60 . 1 1 12 12 VAL HG22 H 1 .94 . . 2 . . . . . . . . 1655 1
61 . 1 1 12 12 VAL HG23 H 1 .94 . . 2 . . . . . . . . 1655 1
62 . 1 1 13 13 TYR H H 1 7.82 . . 1 . . . . . . . . 1655 1
63 . 1 1 13 13 TYR HA H 1 4.16 . . 1 . . . . . . . . 1655 1
64 . 1 1 13 13 TYR HB2 H 1 2.94 . . 1 . . . . . . . . 1655 1
65 . 1 1 13 13 TYR HB3 H 1 2.94 . . 1 . . . . . . . . 1655 1
66 . 1 1 13 13 TYR HD1 H 1 6.81 . . 1 . . . . . . . . 1655 1
67 . 1 1 13 13 TYR HD2 H 1 6.81 . . 1 . . . . . . . . 1655 1
68 . 1 1 13 13 TYR HE1 H 1 6.64 . . 1 . . . . . . . . 1655 1
69 . 1 1 13 13 TYR HE2 H 1 6.64 . . 1 . . . . . . . . 1655 1
70 . 1 1 14 14 PHE H H 1 8.11 . . 1 . . . . . . . . 1655 1
71 . 1 1 14 14 PHE HA H 1 4.2 . . 1 . . . . . . . . 1655 1
72 . 1 1 14 14 PHE HB2 H 1 3.21 . . 2 . . . . . . . . 1655 1
73 . 1 1 14 14 PHE HB3 H 1 3.16 . . 2 . . . . . . . . 1655 1
74 . 1 1 15 15 CYS H H 1 8.49 . . 1 . . . . . . . . 1655 1
75 . 1 1 15 15 CYS HA H 1 4.51 . . 1 . . . . . . . . 1655 1
76 . 1 1 15 15 CYS HB2 H 1 3.01 . . 2 . . . . . . . . 1655 1
77 . 1 1 15 15 CYS HB3 H 1 3.15 . . 2 . . . . . . . . 1655 1
78 . 1 1 16 16 HIS H H 1 7.88 . . 1 . . . . . . . . 1655 1
79 . 1 1 16 16 HIS HA H 1 4.44 . . 1 . . . . . . . . 1655 1
80 . 1 1 16 16 HIS HB2 H 1 3.34 . . 2 . . . . . . . . 1655 1
81 . 1 1 16 16 HIS HB3 H 1 3.19 . . 2 . . . . . . . . 1655 1
82 . 1 1 16 16 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 1655 1
83 . 1 1 16 16 HIS HE1 H 1 8.45 . . 1 . . . . . . . . 1655 1
84 . 1 1 17 17 LEU H H 1 7.71 . . 1 . . . . . . . . 1655 1
85 . 1 1 17 17 LEU HA H 1 4.13 . . 1 . . . . . . . . 1655 1
86 . 1 1 17 17 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 1655 1
87 . 1 1 17 17 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 1655 1
88 . 1 1 18 18 ASP H H 1 7.97 . . 1 . . . . . . . . 1655 1
89 . 1 1 18 18 ASP HA H 1 4.44 . . 1 . . . . . . . . 1655 1
90 . 1 1 18 18 ASP HB2 H 1 6.6 . . 2 . . . . . . . . 1655 1
91 . 1 1 18 18 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 1655 1
92 . 1 1 19 19 ILE H H 1 7.49 . . 1 . . . . . . . . 1655 1
93 . 1 1 19 19 ILE HA H 1 4.06 . . 1 . . . . . . . . 1655 1
94 . 1 1 19 19 ILE HB H 1 1.75 . . 1 . . . . . . . . 1655 1
95 . 1 1 19 19 ILE HG12 H 1 1.04 . . 2 . . . . . . . . 1655 1
96 . 1 1 19 19 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 1655 1
97 . 1 1 20 20 ILE H H 1 7.53 . . 1 . . . . . . . . 1655 1
98 . 1 1 20 20 ILE HA H 1 4.09 . . 1 . . . . . . . . 1655 1
99 . 1 1 20 20 ILE HB H 1 1.75 . . 1 . . . . . . . . 1655 1
100 . 1 1 20 20 ILE HG12 H 1 1.01 . . 2 . . . . . . . . 1655 1
101 . 1 1 20 20 ILE HG13 H 1 1.31 . . 2 . . . . . . . . 1655 1
102 . 1 1 21 21 TRP H H 1 7.63 . . 1 . . . . . . . . 1655 1
103 . 1 1 21 21 TRP HA H 1 4.57 . . 1 . . . . . . . . 1655 1
104 . 1 1 21 21 TRP HB2 H 1 3.28 . . 2 . . . . . . . . 1655 1
105 . 1 1 21 21 TRP HB3 H 1 3.16 . . 2 . . . . . . . . 1655 1
106 . 1 1 21 21 TRP HE1 H 1 9.92 . . 1 . . . . . . . . 1655 1
stop_
save_