###################################
# 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 386
_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 . 386 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 3 3 TRP HA H 1 4.61 . . 1 . . . . . . . . 386 1
2 . 1 1 3 3 TRP HB2 H 1 3.36 . . 2 . . . . . . . . 386 1
3 . 1 1 3 3 TRP HB3 H 1 3.51 . . 2 . . . . . . . . 386 1
4 . 1 1 3 3 TRP HD1 H 1 7.51 . . 1 . . . . . . . . 386 1
5 . 1 1 3 3 TRP HE1 H 1 10.29 . . 1 . . . . . . . . 386 1
6 . 1 1 3 3 TRP HE3 H 1 7.62 . . 1 . . . . . . . . 386 1
7 . 1 1 3 3 TRP HZ2 H 1 7.52 . . 1 . . . . . . . . 386 1
8 . 1 1 3 3 TRP HZ3 H 1 7.28 . . 1 . . . . . . . . 386 1
9 . 1 1 3 3 TRP HH2 H 1 7.33 . . 1 . . . . . . . . 386 1
10 . 1 1 5 5 PHE HA H 1 4.38 . . 1 . . . . . . . . 386 1
11 . 1 1 5 5 PHE HB2 H 1 3.54 . . 2 . . . . . . . . 386 1
12 . 1 1 5 5 PHE HB3 H 1 3.19 . . 2 . . . . . . . . 386 1
13 . 1 1 5 5 PHE HD1 H 1 7.1 . . 1 . . . . . . . . 386 1
14 . 1 1 5 5 PHE HD2 H 1 7.1 . . 1 . . . . . . . . 386 1
15 . 1 1 5 5 PHE HE1 H 1 6.98 . . 1 . . . . . . . . 386 1
16 . 1 1 5 5 PHE HE2 H 1 6.98 . . 1 . . . . . . . . 386 1
17 . 1 1 5 5 PHE HZ H 1 6.34 . . 1 . . . . . . . . 386 1
18 . 1 1 9 9 ILE HG12 H 1 .17 . . 1 . . . . . . . . 386 1
19 . 1 1 9 9 ILE HG13 H 1 .17 . . 1 . . . . . . . . 386 1
20 . 1 1 9 9 ILE HG21 H 1 1.19 . . 1 . . . . . . . . 386 1
21 . 1 1 9 9 ILE HG22 H 1 1.19 . . 1 . . . . . . . . 386 1
22 . 1 1 9 9 ILE HG23 H 1 1.19 . . 1 . . . . . . . . 386 1
23 . 1 1 9 9 ILE HD11 H 1 .04 . . 1 . . . . . . . . 386 1
24 . 1 1 9 9 ILE HD12 H 1 .04 . . 1 . . . . . . . . 386 1
25 . 1 1 9 9 ILE HD13 H 1 .04 . . 1 . . . . . . . . 386 1
26 . 1 1 13 13 ILE HG21 H 1 .84 . . 1 . . . . . . . . 386 1
27 . 1 1 13 13 ILE HG22 H 1 .84 . . 1 . . . . . . . . 386 1
28 . 1 1 13 13 ILE HG23 H 1 .84 . . 1 . . . . . . . . 386 1
29 . 1 1 13 13 ILE HD11 H 1 .72 . . 1 . . . . . . . . 386 1
30 . 1 1 13 13 ILE HD12 H 1 .72 . . 1 . . . . . . . . 386 1
31 . 1 1 13 13 ILE HD13 H 1 .72 . . 1 . . . . . . . . 386 1
32 . 1 1 22 22 PHE HD1 H 1 6.74 . . 1 . . . . . . . . 386 1
33 . 1 1 22 22 PHE HD2 H 1 6.74 . . 1 . . . . . . . . 386 1
34 . 1 1 22 22 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 386 1
35 . 1 1 22 22 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 386 1
36 . 1 1 22 22 PHE HZ H 1 7.01 . . 1 . . . . . . . . 386 1
37 . 1 1 25 25 TYR HD1 H 1 6.62 . . 1 . . . . . . . . 386 1
38 . 1 1 25 25 TYR HD2 H 1 6.62 . . 1 . . . . . . . . 386 1
39 . 1 1 25 25 TYR HE1 H 1 6.62 . . 1 . . . . . . . . 386 1
40 . 1 1 25 25 TYR HE2 H 1 6.62 . . 1 . . . . . . . . 386 1
41 . 1 1 28 28 TYR HD1 H 1 6.46 . . 1 . . . . . . . . 386 1
42 . 1 1 28 28 TYR HD2 H 1 6.46 . . 1 . . . . . . . . 386 1
43 . 1 1 28 28 TYR HE1 H 1 7.17 . . 1 . . . . . . . . 386 1
44 . 1 1 28 28 TYR HE2 H 1 7.17 . . 1 . . . . . . . . 386 1
45 . 1 1 38 38 VAL HB H 1 1.79 . . 1 . . . . . . . . 386 1
46 . 1 1 38 38 VAL HG11 H 1 .89 . . 2 . . . . . . . . 386 1
47 . 1 1 38 38 VAL HG12 H 1 .89 . . 2 . . . . . . . . 386 1
48 . 1 1 38 38 VAL HG13 H 1 .89 . . 2 . . . . . . . . 386 1
49 . 1 1 38 38 VAL HG21 H 1 .58 . . 2 . . . . . . . . 386 1
50 . 1 1 38 38 VAL HG22 H 1 .58 . . 2 . . . . . . . . 386 1
51 . 1 1 38 38 VAL HG23 H 1 .58 . . 2 . . . . . . . . 386 1
52 . 1 1 41 41 LEU HG H 1 1.15 . . 1 . . . . . . . . 386 1
53 . 1 1 41 41 LEU HD11 H 1 .07 . . 2 . . . . . . . . 386 1
54 . 1 1 41 41 LEU HD12 H 1 .07 . . 2 . . . . . . . . 386 1
55 . 1 1 41 41 LEU HD13 H 1 .07 . . 2 . . . . . . . . 386 1
56 . 1 1 41 41 LEU HD21 H 1 .47 . . 2 . . . . . . . . 386 1
57 . 1 1 41 41 LEU HD22 H 1 .47 . . 2 . . . . . . . . 386 1
58 . 1 1 41 41 LEU HD23 H 1 .47 . . 2 . . . . . . . . 386 1
59 . 1 1 48 48 HIS HD2 H 1 6.72 . . 1 . . . . . . . . 386 1
60 . 1 1 52 52 TYR HA H 1 4.24 . . 1 . . . . . . . . 386 1
61 . 1 1 52 52 TYR HB2 H 1 2.8 . . 2 . . . . . . . . 386 1
62 . 1 1 52 52 TYR HB3 H 1 3.3 . . 2 . . . . . . . . 386 1
63 . 1 1 52 52 TYR HD1 H 1 6.72 . . 1 . . . . . . . . 386 1
64 . 1 1 52 52 TYR HD2 H 1 6.72 . . 1 . . . . . . . . 386 1
65 . 1 1 52 52 TYR HE1 H 1 6.29 . . 1 . . . . . . . . 386 1
66 . 1 1 52 52 TYR HE2 H 1 6.29 . . 1 . . . . . . . . 386 1
67 . 1 1 55 55 ALA HA H 1 3.36 . . 1 . . . . . . . . 386 1
68 . 1 1 55 55 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 386 1
69 . 1 1 55 55 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 386 1
70 . 1 1 55 55 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 386 1
71 . 1 1 58 58 LEU HA H 1 4.21 . . 1 . . . . . . . . 386 1
72 . 1 1 58 58 LEU HG H 1 1.55 . . 1 . . . . . . . . 386 1
73 . 1 1 58 58 LEU HD11 H 1 .45 . . 2 . . . . . . . . 386 1
74 . 1 1 58 58 LEU HD12 H 1 .45 . . 2 . . . . . . . . 386 1
75 . 1 1 58 58 LEU HD13 H 1 .45 . . 2 . . . . . . . . 386 1
76 . 1 1 58 58 LEU HD21 H 1 .65 . . 2 . . . . . . . . 386 1
77 . 1 1 58 58 LEU HD22 H 1 .65 . . 2 . . . . . . . . 386 1
78 . 1 1 58 58 LEU HD23 H 1 .65 . . 2 . . . . . . . . 386 1
79 . 1 1 69 69 TYR HA H 1 4.5 . . 1 . . . . . . . . 386 1
80 . 1 1 69 69 TYR HB2 H 1 3.08 . . 1 . . . . . . . . 386 1
81 . 1 1 69 69 TYR HB3 H 1 3.08 . . 1 . . . . . . . . 386 1
82 . 1 1 69 69 TYR HD1 H 1 7.17 . . 1 . . . . . . . . 386 1
83 . 1 1 69 69 TYR HD2 H 1 7.17 . . 1 . . . . . . . . 386 1
84 . 1 1 69 69 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 386 1
85 . 1 1 69 69 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 386 1
86 . 1 1 73 73 TYR HA H 1 4.84 . . 1 . . . . . . . . 386 1
87 . 1 1 73 73 TYR HB2 H 1 2.76 . . 2 . . . . . . . . 386 1
88 . 1 1 73 73 TYR HB3 H 1 3.11 . . 2 . . . . . . . . 386 1
89 . 1 1 73 73 TYR HD1 H 1 6.77 . . 1 . . . . . . . . 386 1
90 . 1 1 73 73 TYR HD2 H 1 6.77 . . 1 . . . . . . . . 386 1
91 . 1 1 73 73 TYR HE1 H 1 6.53 . . 1 . . . . . . . . 386 1
92 . 1 1 73 73 TYR HE2 H 1 6.53 . . 1 . . . . . . . . 386 1
93 . 1 1 74 74 SER HA H 1 5.26 . . 1 . . . . . . . . 386 1
94 . 1 1 74 74 SER HB2 H 1 3.84 . . 2 . . . . . . . . 386 1
95 . 1 1 74 74 SER HB3 H 1 3.76 . . 2 . . . . . . . . 386 1
96 . 1 1 75 75 TYR HA H 1 5.34 . . 1 . . . . . . . . 386 1
97 . 1 1 75 75 TYR HB2 H 1 3.12 . . 2 . . . . . . . . 386 1
98 . 1 1 75 75 TYR HB3 H 1 3.27 . . 2 . . . . . . . . 386 1
99 . 1 1 75 75 TYR HD1 H 1 6.95 . . 1 . . . . . . . . 386 1
100 . 1 1 75 75 TYR HD2 H 1 6.95 . . 1 . . . . . . . . 386 1
101 . 1 1 75 75 TYR HE1 H 1 6.55 . . 1 . . . . . . . . 386 1
102 . 1 1 75 75 TYR HE2 H 1 6.55 . . 1 . . . . . . . . 386 1
103 . 1 1 84 84 CYS HA H 1 4.63 . . 1 . . . . . . . . 386 1
104 . 1 1 94 94 PHE HA H 1 4.02 . . 1 . . . . . . . . 386 1
105 . 1 1 94 94 PHE HB2 H 1 3.18 . . 2 . . . . . . . . 386 1
106 . 1 1 94 94 PHE HB3 H 1 3.34 . . 2 . . . . . . . . 386 1
107 . 1 1 94 94 PHE HD1 H 1 7.07 . . 1 . . . . . . . . 386 1
108 . 1 1 94 94 PHE HD2 H 1 7.07 . . 1 . . . . . . . . 386 1
109 . 1 1 94 94 PHE HE1 H 1 7.5 . . 1 . . . . . . . . 386 1
110 . 1 1 94 94 PHE HE2 H 1 7.5 . . 1 . . . . . . . . 386 1
111 . 1 1 94 94 PHE HZ H 1 7.3 . . 1 . . . . . . . . 386 1
112 . 1 1 95 95 ILE HG21 H 1 .92 . . 1 . . . . . . . . 386 1
113 . 1 1 95 95 ILE HG22 H 1 .92 . . 1 . . . . . . . . 386 1
114 . 1 1 95 95 ILE HG23 H 1 .92 . . 1 . . . . . . . . 386 1
115 . 1 1 102 102 ALA HA H 1 4.06 . . 1 . . . . . . . . 386 1
116 . 1 1 102 102 ALA HB1 H 1 .89 . . 1 . . . . . . . . 386 1
117 . 1 1 102 102 ALA HB2 H 1 .89 . . 1 . . . . . . . . 386 1
118 . 1 1 102 102 ALA HB3 H 1 .89 . . 1 . . . . . . . . 386 1
119 . 1 1 106 106 PHE HA H 1 4.25 . . 1 . . . . . . . . 386 1
120 . 1 1 106 106 PHE HB2 H 1 2.62 . . 2 . . . . . . . . 386 1
121 . 1 1 106 106 PHE HB3 H 1 3.03 . . 2 . . . . . . . . 386 1
122 . 1 1 106 106 PHE HD1 H 1 6.36 . . 1 . . . . . . . . 386 1
123 . 1 1 106 106 PHE HD2 H 1 6.36 . . 1 . . . . . . . . 386 1
124 . 1 1 106 106 PHE HE1 H 1 6.83 . . 1 . . . . . . . . 386 1
125 . 1 1 106 106 PHE HE2 H 1 6.83 . . 1 . . . . . . . . 386 1
126 . 1 1 106 106 PHE HZ H 1 7.2 . . 1 . . . . . . . . 386 1
127 . 1 1 111 111 TYR HA H 1 4.28 . . 1 . . . . . . . . 386 1
128 . 1 1 111 111 TYR HB2 H 1 2.79 . . 2 . . . . . . . . 386 1
129 . 1 1 111 111 TYR HB3 H 1 2.99 . . 2 . . . . . . . . 386 1
130 . 1 1 111 111 TYR HD1 H 1 6.72 . . 1 . . . . . . . . 386 1
131 . 1 1 111 111 TYR HD2 H 1 6.72 . . 1 . . . . . . . . 386 1
132 . 1 1 111 111 TYR HE1 H 1 6.16 . . 1 . . . . . . . . 386 1
133 . 1 1 111 111 TYR HE2 H 1 6.16 . . 1 . . . . . . . . 386 1
134 . 1 1 115 115 HIS HD2 H 1 6.99 . . 1 . . . . . . . . 386 1
135 . 1 1 115 115 HIS HE1 H 1 8.23 . . 1 . . . . . . . . 386 1
136 . 1 1 118 118 LEU HA H 1 4 . . 1 . . . . . . . . 386 1
137 . 1 1 118 118 LEU HB2 H 1 1.31 . . 2 . . . . . . . . 386 1
138 . 1 1 118 118 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 386 1
139 . 1 1 118 118 LEU HG H 1 1.55 . . 1 . . . . . . . . 386 1
140 . 1 1 118 118 LEU HD11 H 1 .85 . . 2 . . . . . . . . 386 1
141 . 1 1 118 118 LEU HD12 H 1 .85 . . 2 . . . . . . . . 386 1
142 . 1 1 118 118 LEU HD13 H 1 .85 . . 2 . . . . . . . . 386 1
143 . 1 1 118 118 LEU HD21 H 1 .68 . . 2 . . . . . . . . 386 1
144 . 1 1 118 118 LEU HD22 H 1 .68 . . 2 . . . . . . . . 386 1
145 . 1 1 118 118 LEU HD23 H 1 .68 . . 2 . . . . . . . . 386 1
stop_
save_