###################################
# 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_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 7011
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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_1 . 7011 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 LYS H H 1 7.645 0.02 . 1 . . . . . . . . 7011 1
2 . 1 1 1 1 LYS HA H 1 4.089 0.02 . 1 . . . . . . . . 7011 1
3 . 1 1 1 1 LYS HB2 H 1 1.969 0.02 . 2 . . . . . . . . 7011 1
4 . 1 1 1 1 LYS HG2 H 1 1.513 0.02 . 2 . . . . . . . . 7011 1
5 . 1 1 1 1 LYS HE2 H 1 3.059 0.02 . 2 . . . . . . . . 7011 1
6 . 1 1 1 1 LYS CA C 13 55.578 0.4 . 1 . . . . . . . . 7011 1
7 . 1 1 1 1 LYS CB C 13 33.279 0.4 . 1 . . . . . . . . 7011 1
8 . 1 1 1 1 LYS CG C 13 23.999 0.4 . 1 . . . . . . . . 7011 1
9 . 1 1 1 1 LYS CD C 13 29.027 0.4 . 1 . . . . . . . . 7011 1
10 . 1 1 1 1 LYS CE C 13 41.676 0.4 . 1 . . . . . . . . 7011 1
11 . 1 1 2 2 MET H H 1 8.683 0.02 . 1 . . . . . . . . 7011 1
12 . 1 1 2 2 MET HA H 1 4.621 0.02 . 1 . . . . . . . . 7011 1
13 . 1 1 2 2 MET HB2 H 1 2.084 0.02 . 1 . . . . . . . . 7011 1
14 . 1 1 2 2 MET HB3 H 1 2.122 0.02 . 1 . . . . . . . . 7011 1
15 . 1 1 2 2 MET HG2 H 1 2.629 0.02 . 1 . . . . . . . . 7011 1
16 . 1 1 2 2 MET CA C 13 55.678 0.4 . 1 . . . . . . . . 7011 1
17 . 1 1 2 2 MET CB C 13 33.100 0.4 . 1 . . . . . . . . 7011 1
18 . 1 1 2 2 MET CG C 13 31.835 0.4 . 1 . . . . . . . . 7011 1
19 . 1 1 3 3 VAL H H 1 8.085 0.02 . 1 . . . . . . . . 7011 1
20 . 1 1 3 3 VAL HA H 1 4.152 0.02 . 1 . . . . . . . . 7011 1
21 . 1 1 3 3 VAL HB H 1 2.092 0.02 . 1 . . . . . . . . 7011 1
22 . 1 1 3 3 VAL HG21 H 1 0.964 0.02 . 1 . . . . . . . . 7011 1
23 . 1 1 3 3 VAL HG22 H 1 0.964 0.02 . 1 . . . . . . . . 7011 1
24 . 1 1 3 3 VAL HG23 H 1 0.964 0.02 . 1 . . . . . . . . 7011 1
25 . 1 1 3 3 VAL CA C 13 62.242 0.4 . 1 . . . . . . . . 7011 1
26 . 1 1 3 3 VAL CB C 13 33.247 0.4 . 1 . . . . . . . . 7011 1
27 . 1 1 3 3 VAL CG1 C 13 20.800 0.4 . 1 . . . . . . . . 7011 1
28 . 1 1 3 3 VAL CG2 C 13 20.191 0.4 . 1 . . . . . . . . 7011 1
29 . 1 1 4 4 ASN H H 1 8.039 0.02 . 1 . . . . . . . . 7011 1
30 . 1 1 4 4 ASN HA H 1 4.713 0.02 . 1 . . . . . . . . 7011 1
31 . 1 1 4 4 ASN HB2 H 1 2.844 0.02 . 2 . . . . . . . . 7011 1
32 . 1 1 4 4 ASN HB3 H 1 2.962 0.02 . 2 . . . . . . . . 7011 1
33 . 1 1 4 4 ASN HD21 H 1 7.482 0.02 . 2 . . . . . . . . 7011 1
34 . 1 1 4 4 ASN HD22 H 1 6.656 0.02 . 2 . . . . . . . . 7011 1
35 . 1 1 4 4 ASN CA C 13 53.250 0.4 . 1 . . . . . . . . 7011 1
36 . 1 1 4 4 ASN CB C 13 38.435 0.4 . 1 . . . . . . . . 7011 1
37 . 1 1 5 5 GLU H H 1 8.464 0.02 . 1 . . . . . . . . 7011 1
38 . 1 1 5 5 GLU HA H 1 4.102 0.02 . 1 . . . . . . . . 7011 1
39 . 1 1 5 5 GLU HB2 H 1 2.145 0.02 . 2 . . . . . . . . 7011 1
40 . 1 1 5 5 GLU HG2 H 1 2.533 0.02 . 2 . . . . . . . . 7011 1
41 . 1 1 5 5 GLU CA C 13 58.255 0.4 . 1 . . . . . . . . 7011 1
42 . 1 1 5 5 GLU CB C 13 28.050 0.4 . 1 . . . . . . . . 7011 1
43 . 1 1 5 5 GLU CG C 13 32.689 0.4 . 1 . . . . . . . . 7011 1
44 . 1 1 6 6 ALA H H 1 8.125 0.02 . 1 . . . . . . . . 7011 1
45 . 1 1 6 6 ALA HA H 1 4.165 0.02 . 1 . . . . . . . . 7011 1
46 . 1 1 6 6 ALA HB1 H 1 1.479 0.02 . 1 . . . . . . . . 7011 1
47 . 1 1 6 6 ALA HB2 H 1 1.479 0.02 . 1 . . . . . . . . 7011 1
48 . 1 1 6 6 ALA HB3 H 1 1.479 0.02 . 1 . . . . . . . . 7011 1
49 . 1 1 6 6 ALA CA C 13 54.570 0.4 . 1 . . . . . . . . 7011 1
50 . 1 1 6 6 ALA CB C 13 17.871 0.4 . 1 . . . . . . . . 7011 1
51 . 1 1 7 7 LEU H H 1 7.621 0.02 . 1 . . . . . . . . 7011 1
52 . 1 1 7 7 LEU HA H 1 4.229 0.02 . 1 . . . . . . . . 7011 1
53 . 1 1 7 7 LEU HB2 H 1 1.802 0.02 . 2 . . . . . . . . 7011 1
54 . 1 1 7 7 LEU HG H 1 1.652 0.02 . 1 . . . . . . . . 7011 1
55 . 1 1 7 7 LEU HD21 H 1 0.901 0.02 . 2 . . . . . . . . 7011 1
56 . 1 1 7 7 LEU HD22 H 1 0.901 0.02 . 2 . . . . . . . . 7011 1
57 . 1 1 7 7 LEU HD23 H 1 0.901 0.02 . 2 . . . . . . . . 7011 1
58 . 1 1 7 7 LEU CA C 13 56.906 0.4 . 1 . . . . . . . . 7011 1
59 . 1 1 7 7 LEU CB C 13 41.976 0.4 . 1 . . . . . . . . 7011 1
60 . 1 1 7 7 LEU CG C 13 27.277 0.4 . 1 . . . . . . . . 7011 1
61 . 1 1 7 7 LEU CD1 C 13 22.933 0.4 . 1 . . . . . . . . 7011 1
62 . 1 1 7 7 LEU CD2 C 13 24.609 0.4 . 1 . . . . . . . . 7011 1
63 . 1 1 8 8 VAL H H 1 7.593 0.02 . 1 . . . . . . . . 7011 1
64 . 1 1 8 8 VAL HA H 1 3.896 0.02 . 1 . . . . . . . . 7011 1
65 . 1 1 8 8 VAL HB H 1 2.179 0.02 . 1 . . . . . . . . 7011 1
66 . 1 1 8 8 VAL HG11 H 1 0.975 0.02 . 2 . . . . . . . . 7011 1
67 . 1 1 8 8 VAL HG12 H 1 0.975 0.02 . 2 . . . . . . . . 7011 1
68 . 1 1 8 8 VAL HG13 H 1 0.975 0.02 . 2 . . . . . . . . 7011 1
69 . 1 1 8 8 VAL HG21 H 1 1.018 0.02 . 2 . . . . . . . . 7011 1
70 . 1 1 8 8 VAL HG22 H 1 1.018 0.02 . 2 . . . . . . . . 7011 1
71 . 1 1 8 8 VAL HG23 H 1 1.018 0.02 . 2 . . . . . . . . 7011 1
72 . 1 1 8 8 VAL CA C 13 64.828 0.4 . 1 . . . . . . . . 7011 1
73 . 1 1 8 8 VAL CB C 13 32.074 0.4 . 1 . . . . . . . . 7011 1
74 . 1 1 8 8 VAL CG1 C 13 21.257 0.4 . 1 . . . . . . . . 7011 1
75 . 1 1 8 8 VAL CG2 C 13 20.800 0.4 . 1 . . . . . . . . 7011 1
76 . 1 1 9 9 ARG H H 1 8.093 0.02 . 1 . . . . . . . . 7011 1
77 . 1 1 9 9 ARG HA H 1 4.194 0.02 . 1 . . . . . . . . 7011 1
78 . 1 1 9 9 ARG HB2 H 1 1.921 0.02 . 2 . . . . . . . . 7011 1
79 . 1 1 9 9 ARG HB3 H 1 1.964 0.02 . 2 . . . . . . . . 7011 1
80 . 1 1 9 9 ARG HG2 H 1 1.716 0.02 . 2 . . . . . . . . 7011 1
81 . 1 1 9 9 ARG HG3 H 1 1.813 0.02 . 2 . . . . . . . . 7011 1
82 . 1 1 9 9 ARG HD2 H 1 3.230 0.02 . 2 . . . . . . . . 7011 1
83 . 1 1 9 9 ARG CA C 13 57.825 0.4 . 1 . . . . . . . . 7011 1
84 . 1 1 9 9 ARG CB C 13 30.098 0.4 . 1 . . . . . . . . 7011 1
85 . 1 1 9 9 ARG CG C 13 27.446 0.4 . 1 . . . . . . . . 7011 1
86 . 1 1 9 9 ARG CD C 13 43.080 0.4 . 1 . . . . . . . . 7011 1
87 . 1 1 10 10 GLN H H 1 7.904 0.02 . 1 . . . . . . . . 7011 1
88 . 1 1 10 10 GLN HA H 1 4.304 0.02 . 1 . . . . . . . . 7011 1
89 . 1 1 10 10 GLN HB2 H 1 2.253 0.02 . 2 . . . . . . . . 7011 1
90 . 1 1 10 10 GLN HB3 H 1 2.146 0.02 . 2 . . . . . . . . 7011 1
91 . 1 1 10 10 GLN HG2 H 1 2.510 0.02 . 2 . . . . . . . . 7011 1
92 . 1 1 10 10 GLN HG3 H 1 2.447 0.02 . 2 . . . . . . . . 7011 1
93 . 1 1 10 10 GLN HE21 H 1 7.282 0.02 . 1 . . . . . . . . 7011 1
94 . 1 1 10 10 GLN HE22 H 1 6.591 0.02 . 1 . . . . . . . . 7011 1
95 . 1 1 10 10 GLN CA C 13 56.668 0.4 . 1 . . . . . . . . 7011 1
96 . 1 1 10 10 GLN CB C 13 29.331 0.4 . 1 . . . . . . . . 7011 1
97 . 1 1 10 10 GLN CG C 13 33.902 0.4 . 1 . . . . . . . . 7011 1
98 . 1 1 11 11 GLY H H 1 8.079 0.02 . 1 . . . . . . . . 7011 1
99 . 1 1 11 11 GLY HA2 H 1 3.996 0.02 . 2 . . . . . . . . 7011 1
100 . 1 1 11 11 GLY HA3 H 1 4.007 0.02 . 2 . . . . . . . . 7011 1
101 . 1 1 11 11 GLY CA C 13 45.456 0.02 . 1 . . . . . . . . 7011 1
102 . 1 1 12 12 LEU H H 1 7.775 0.02 . 1 . . . . . . . . 7011 1
103 . 1 1 12 12 LEU HA H 1 4.445 0.02 . 1 . . . . . . . . 7011 1
104 . 1 1 12 12 LEU HB2 H 1 1.684 0.02 . 2 . . . . . . . . 7011 1
105 . 1 1 12 12 LEU HD21 H 1 0.921 0.02 . 2 . . . . . . . . 7011 1
106 . 1 1 12 12 LEU HD22 H 1 0.921 0.02 . 2 . . . . . . . . 7011 1
107 . 1 1 12 12 LEU HD23 H 1 0.921 0.02 . 2 . . . . . . . . 7011 1
108 . 1 1 12 12 LEU CA C 13 54.926 0.4 . 1 . . . . . . . . 7011 1
109 . 1 1 12 12 LEU CB C 13 42.586 0.4 . 1 . . . . . . . . 7011 1
110 . 1 1 12 12 LEU CG C 13 26.894 0.4 . 1 . . . . . . . . 7011 1
111 . 1 1 12 12 LEU CD1 C 13 22.780 0.4 . 1 . . . . . . . . 7011 1
112 . 1 1 12 12 LEU CD2 C 13 24.761 0.4 . 1 . . . . . . . . 7011 1
113 . 1 1 13 13 ALA H H 1 7.802 0.02 . 1 . . . . . . . . 7011 1
114 . 1 1 13 13 ALA HA H 1 4.394 0.02 . 1 . . . . . . . . 7011 1
115 . 1 1 13 13 ALA HB1 H 1 1.449 0.02 . 1 . . . . . . . . 7011 1
116 . 1 1 13 13 ALA HB2 H 1 1.449 0.02 . 1 . . . . . . . . 7011 1
117 . 1 1 13 13 ALA HB3 H 1 1.449 0.02 . 1 . . . . . . . . 7011 1
118 . 1 1 13 13 ALA CA C 13 51.270 0.4 . 1 . . . . . . . . 7011 1
119 . 1 1 13 13 ALA CB C 13 18.884 0.4 . 1 . . . . . . . . 7011 1
stop_
save_