###################################
# 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 497
_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 . 497 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 8 8 HIS CA C 13 53.4 . . 1 . . . . . . . . 497 1
2 . 1 1 8 8 HIS CB C 13 29.5 . . 1 . . . . . . . . 497 1
3 . 1 1 9 9 LYS CA C 13 54.5 . . 1 . . . . . . . . 497 1
4 . 1 1 10 10 GLU CA C 13 51.8 . . 1 . . . . . . . . 497 1
5 . 1 1 11 11 PRO CA C 13 61.7 . . 1 . . . . . . . . 497 1
6 . 1 1 11 11 PRO CD C 13 49.2 . . 1 . . . . . . . . 497 1
7 . 1 1 12 12 ALA CA C 13 49.9 . . 1 . . . . . . . . 497 1
8 . 1 1 12 12 ALA CB C 13 17.9 . . 1 . . . . . . . . 497 1
9 . 1 1 13 13 THR CA C 13 58.9 . . 1 . . . . . . . . 497 1
10 . 1 1 13 13 THR CB C 13 70 . . 1 . . . . . . . . 497 1
11 . 1 1 13 13 THR CG2 C 13 20.7 . . 1 . . . . . . . . 497 1
12 . 1 1 14 14 LEU CA C 13 55.1 . . 1 . . . . . . . . 497 1
13 . 1 1 15 15 ILE CA C 13 62.5 . . 1 . . . . . . . . 497 1
14 . 1 1 15 15 ILE CG2 C 13 15.3 . . 1 . . . . . . . . 497 1
15 . 1 1 15 15 ILE CD1 C 13 12.7 . . 1 . . . . . . . . 497 1
16 . 1 1 16 16 LYS CA C 13 54.9 . . 1 . . . . . . . . 497 1
17 . 1 1 17 17 ALA CA C 13 50.7 . . 1 . . . . . . . . 497 1
18 . 1 1 17 17 ALA CB C 13 16.7 . . 1 . . . . . . . . 497 1
19 . 1 1 18 18 ILE CA C 13 61.7 . . 1 . . . . . . . . 497 1
20 . 1 1 18 18 ILE CG2 C 13 15.2 . . 1 . . . . . . . . 497 1
21 . 1 1 18 18 ILE CD1 C 13 11.7 . . 1 . . . . . . . . 497 1
22 . 1 1 22 22 THR CA C 13 60.1 . . 1 . . . . . . . . 497 1
23 . 1 1 22 22 THR CB C 13 71.1 . . 1 . . . . . . . . 497 1
24 . 1 1 22 22 THR CG2 C 13 20.8 . . 1 . . . . . . . . 497 1
25 . 1 1 24 24 LYS CA C 13 54.5 . . 1 . . . . . . . . 497 1
26 . 1 1 25 25 LEU CA C 13 52.9 . . 1 . . . . . . . . 497 1
27 . 1 1 26 26 MET CA C 13 53.4 . . 1 . . . . . . . . 497 1
28 . 1 1 26 26 MET CB C 13 30.7 . . 1 . . . . . . . . 497 1
29 . 1 1 26 26 MET CG C 13 30.2 . . 1 . . . . . . . . 497 1
30 . 1 1 26 26 MET CE C 13 15.4 . . 1 . . . . . . . . 497 1
31 . 1 1 27 27 TYR CA C 13 55.2 . . 1 . . . . . . . . 497 1
32 . 1 1 27 27 TYR CB C 13 40.2 . . 1 . . . . . . . . 497 1
33 . 1 1 28 28 LYS CA C 13 55.7 . . 1 . . . . . . . . 497 1
34 . 1 1 29 29 GLY CA C 13 43.9 . . 1 . . . . . . . . 497 1
35 . 1 1 30 30 GLN CA C 13 50.7 . . 1 . . . . . . . . 497 1
36 . 1 1 31 31 PRO CA C 13 61.1 . . 1 . . . . . . . . 497 1
37 . 1 1 31 31 PRO CD C 13 49.3 . . 1 . . . . . . . . 497 1
38 . 1 1 32 32 MET CA C 13 54.3 . . 1 . . . . . . . . 497 1
39 . 1 1 32 32 MET CB C 13 35.6 . . 1 . . . . . . . . 497 1
40 . 1 1 32 32 MET CG C 13 30.5 . . 1 . . . . . . . . 497 1
41 . 1 1 32 32 MET CE C 13 15.3 . . 1 . . . . . . . . 497 1
42 . 1 1 33 33 THR CA C 13 62.3 . . 1 . . . . . . . . 497 1
43 . 1 1 33 33 THR CB C 13 66.7 . . 1 . . . . . . . . 497 1
44 . 1 1 33 33 THR CG2 C 13 21.3 . . 1 . . . . . . . . 497 1
45 . 1 1 34 34 PHE CA C 13 55.8 . . 1 . . . . . . . . 497 1
46 . 1 1 34 34 PHE CB C 13 40.8 . . 1 . . . . . . . . 497 1
47 . 1 1 35 35 ARG CA C 13 50.5 . . 1 . . . . . . . . 497 1
48 . 1 1 39 39 VAL CA C 13 55.9 . . 1 . . . . . . . . 497 1
49 . 1 1 41 41 THR CA C 13 56.9 . . 1 . . . . . . . . 497 1
50 . 1 1 41 41 THR CB C 13 66.6 . . 1 . . . . . . . . 497 1
51 . 1 1 41 41 THR CG2 C 13 21 . . 1 . . . . . . . . 497 1
52 . 1 1 42 42 PRO CD C 13 49.5 . . 1 . . . . . . . . 497 1
53 . 1 1 44 44 THR CA C 13 60.8 . . 1 . . . . . . . . 497 1
54 . 1 1 44 44 THR CB C 13 67.6 . . 1 . . . . . . . . 497 1
55 . 1 1 44 44 THR CG2 C 13 20.8 . . 1 . . . . . . . . 497 1
56 . 1 1 46 46 HIS CA C 13 52.8 . . 1 . . . . . . . . 497 1
57 . 1 1 46 46 HIS CB C 13 29 . . 1 . . . . . . . . 497 1
58 . 1 1 50 50 GLY CA C 13 44 . . 1 . . . . . . . . 497 1
59 . 1 1 54 54 TYR CA C 13 54.7 . . 1 . . . . . . . . 497 1
60 . 1 1 54 54 TYR CB C 13 37.1 . . 1 . . . . . . . . 497 1
61 . 1 1 55 55 GLY CA C 13 46.9 . . 1 . . . . . . . . 497 1
62 . 1 1 56 56 PRO CD C 13 48.1 . . 1 . . . . . . . . 497 1
63 . 1 1 58 58 ALA CA C 13 54.1 . . 1 . . . . . . . . 497 1
64 . 1 1 58 58 ALA CB C 13 16.8 . . 1 . . . . . . . . 497 1
65 . 1 1 59 59 SER CB C 13 64.4 . . 1 . . . . . . . . 497 1
66 . 1 1 60 60 ALA CA C 13 53.4 . . 1 . . . . . . . . 497 1
67 . 1 1 60 60 ALA CB C 13 16.7 . . 1 . . . . . . . . 497 1
68 . 1 1 61 61 PHE CA C 13 60.1 . . 1 . . . . . . . . 497 1
69 . 1 1 61 61 PHE CB C 13 38.3 . . 1 . . . . . . . . 497 1
70 . 1 1 62 62 THR CA C 13 66.1 . . 1 . . . . . . . . 497 1
71 . 1 1 62 62 THR CB C 13 66.5 . . 1 . . . . . . . . 497 1
72 . 1 1 62 62 THR CG2 C 13 20.7 . . 1 . . . . . . . . 497 1
73 . 1 1 63 63 LYS CA C 13 58.9 . . 1 . . . . . . . . 497 1
74 . 1 1 64 64 LYS CA C 13 57.8 . . 1 . . . . . . . . 497 1
75 . 1 1 65 65 MET CA C 13 58.1 . . 1 . . . . . . . . 497 1
76 . 1 1 65 65 MET CB C 13 31.5 . . 1 . . . . . . . . 497 1
77 . 1 1 65 65 MET CG C 13 31.1 . . 1 . . . . . . . . 497 1
78 . 1 1 65 65 MET CE C 13 16.3 . . 1 . . . . . . . . 497 1
79 . 1 1 69 69 ALA CA C 13 49.8 . . 1 . . . . . . . . 497 1
80 . 1 1 69 69 ALA CB C 13 17.8 . . 1 . . . . . . . . 497 1
81 . 1 1 70 70 LYS CA C 13 56.3 . . 1 . . . . . . . . 497 1
82 . 1 1 71 71 LYS CA C 13 53.9 . . 1 . . . . . . . . 497 1
83 . 1 1 72 72 ILE CA C 13 57.2 . . 1 . . . . . . . . 497 1
84 . 1 1 72 72 ILE CG2 C 13 16 . . 1 . . . . . . . . 497 1
85 . 1 1 72 72 ILE CD1 C 13 11.4 . . 1 . . . . . . . . 497 1
86 . 1 1 73 73 GLU CA C 13 52.2 . . 1 . . . . . . . . 497 1
87 . 1 1 74 74 VAL CA C 13 58 . . 1 . . . . . . . . 497 1
88 . 1 1 74 74 VAL CG1 C 13 18.8 . . 2 . . . . . . . . 497 1
89 . 1 1 74 74 VAL CG2 C 13 20.1 . . 2 . . . . . . . . 497 1
90 . 1 1 75 75 GLU CA C 13 52.9 . . 1 . . . . . . . . 497 1
91 . 1 1 76 76 PHE CA C 13 58 . . 1 . . . . . . . . 497 1
92 . 1 1 76 76 PHE CB C 13 38.2 . . 1 . . . . . . . . 497 1
93 . 1 1 78 78 LYS CA C 13 56.4 . . 1 . . . . . . . . 497 1
94 . 1 1 79 79 GLY CA C 13 43.1 . . 1 . . . . . . . . 497 1
95 . 1 1 81 81 ARG CA C 13 55.6 . . 1 . . . . . . . . 497 1
96 . 1 1 82 82 THR CA C 13 56.8 . . 1 . . . . . . . . 497 1
97 . 1 1 82 82 THR CB C 13 71.1 . . 1 . . . . . . . . 497 1
98 . 1 1 82 82 THR CG2 C 13 19.9 . . 1 . . . . . . . . 497 1
99 . 1 1 85 85 TYR CA C 13 55.9 . . 1 . . . . . . . . 497 1
100 . 1 1 85 85 TYR CB C 13 36.7 . . 1 . . . . . . . . 497 1
101 . 1 1 86 86 GLY CA C 13 43.8 . . 1 . . . . . . . . 497 1
102 . 1 1 87 87 ARG CA C 13 53.7 . . 1 . . . . . . . . 497 1
103 . 1 1 88 88 GLY CA C 13 43.4 . . 1 . . . . . . . . 497 1
104 . 1 1 90 90 ALA CA C 13 49.1 . . 1 . . . . . . . . 497 1
105 . 1 1 90 90 ALA CB C 13 20.2 . . 1 . . . . . . . . 497 1
106 . 1 1 91 91 TYR CA C 13 56.2 . . 1 . . . . . . . . 497 1
107 . 1 1 91 91 TYR CB C 13 36.2 . . 1 . . . . . . . . 497 1
108 . 1 1 92 92 ILE CA C 13 57.2 . . 1 . . . . . . . . 497 1
109 . 1 1 92 92 ILE CG2 C 13 15.1 . . 1 . . . . . . . . 497 1
110 . 1 1 92 92 ILE CD1 C 13 10.7 . . 1 . . . . . . . . 497 1
111 . 1 1 93 93 TYR CA C 13 54.7 . . 1 . . . . . . . . 497 1
112 . 1 1 93 93 TYR CB C 13 36.2 . . 1 . . . . . . . . 497 1
113 . 1 1 94 94 ALA CA C 13 48.2 . . 1 . . . . . . . . 497 1
114 . 1 1 94 94 ALA CB C 13 18.5 . . 1 . . . . . . . . 497 1
115 . 1 1 96 96 GLY CA C 13 43.7 . . 1 . . . . . . . . 497 1
116 . 1 1 97 97 LYS CA C 13 52.7 . . 1 . . . . . . . . 497 1
117 . 1 1 98 98 MET CA C 13 54.8 . . 1 . . . . . . . . 497 1
118 . 1 1 98 98 MET CB C 13 32.9 . . 1 . . . . . . . . 497 1
119 . 1 1 98 98 MET CG C 13 27.3 . . 1 . . . . . . . . 497 1
120 . 1 1 98 98 MET CE C 13 13 . . 1 . . . . . . . . 497 1
121 . 1 1 99 99 VAL CA C 13 61.1 . . 1 . . . . . . . . 497 1
122 . 1 1 99 99 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 497 1
123 . 1 1 99 99 VAL CG2 C 13 21.2 . . 2 . . . . . . . . 497 1
124 . 1 1 101 101 GLU CA C 13 58 . . 1 . . . . . . . . 497 1
125 . 1 1 102 102 ALA CA C 13 53.7 . . 1 . . . . . . . . 497 1
126 . 1 1 102 102 ALA CB C 13 16.7 . . 1 . . . . . . . . 497 1
127 . 1 1 103 103 LEU CA C 13 56.3 . . 1 . . . . . . . . 497 1
128 . 1 1 105 105 ARG CA C 13 58.8 . . 1 . . . . . . . . 497 1
129 . 1 1 107 107 GLY CA C 13 44.9 . . 1 . . . . . . . . 497 1
130 . 1 1 109 109 ALA CA C 13 47.9 . . 1 . . . . . . . . 497 1
131 . 1 1 109 109 ALA CB C 13 20 . . 1 . . . . . . . . 497 1
132 . 1 1 110 110 LYS CA C 13 52.2 . . 1 . . . . . . . . 497 1
133 . 1 1 111 111 VAL CA C 13 61.6 . . 1 . . . . . . . . 497 1
134 . 1 1 112 112 ALA CA C 13 49.4 . . 1 . . . . . . . . 497 1
135 . 1 1 112 112 ALA CB C 13 18.6 . . 1 . . . . . . . . 497 1
136 . 1 1 113 113 TYR CA C 13 55.9 . . 1 . . . . . . . . 497 1
137 . 1 1 114 114 VAL CA C 13 61 . . 1 . . . . . . . . 497 1
138 . 1 1 114 114 VAL CG1 C 13 17.7 . . 2 . . . . . . . . 497 1
139 . 1 1 114 114 VAL CG2 C 13 18.6 . . 2 . . . . . . . . 497 1
140 . 1 1 115 115 TYR CA C 13 53.3 . . 1 . . . . . . . . 497 1
141 . 1 1 115 115 TYR CB C 13 36.8 . . 1 . . . . . . . . 497 1
142 . 1 1 116 116 LYS CA C 13 54.5 . . 1 . . . . . . . . 497 1
143 . 1 1 119 119 ASN CA C 13 50.7 . . 1 . . . . . . . . 497 1
144 . 1 1 120 120 THR CA C 13 62.3 . . 1 . . . . . . . . 497 1
145 . 1 1 120 120 THR CB C 13 65.1 . . 1 . . . . . . . . 497 1
146 . 1 1 120 120 THR CG2 C 13 20.1 . . 1 . . . . . . . . 497 1
147 . 1 1 121 121 HIS CA C 13 51.9 . . 1 . . . . . . . . 497 1
148 . 1 1 121 121 HIS CB C 13 27.2 . . 1 . . . . . . . . 497 1
149 . 1 1 126 126 ARG CA C 13 58.2 . . 1 . . . . . . . . 497 1
150 . 1 1 127 127 LYS CA C 13 58.4 . . 1 . . . . . . . . 497 1
151 . 1 1 130 130 ALA CA C 13 53.4 . . 1 . . . . . . . . 497 1
152 . 1 1 130 130 ALA CB C 13 16.1 . . 1 . . . . . . . . 497 1
153 . 1 1 132 132 ALA CA C 13 54.1 . . 1 . . . . . . . . 497 1
154 . 1 1 132 132 ALA CB C 13 17.1 . . 1 . . . . . . . . 497 1
155 . 1 1 133 133 LYS CA C 13 58.1 . . 1 . . . . . . . . 497 1
156 . 1 1 134 134 LYS CA C 13 57.7 . . 1 . . . . . . . . 497 1
157 . 1 1 136 136 LYS CA C 13 55.1 . . 1 . . . . . . . . 497 1
158 . 1 1 139 139 ILE CA C 13 64.1 . . 1 . . . . . . . . 497 1
159 . 1 1 139 139 ILE CG2 C 13 13.6 . . 1 . . . . . . . . 497 1
160 . 1 1 139 139 ILE CD1 C 13 11.8 . . 1 . . . . . . . . 497 1
161 . 1 1 140 140 TRP CA C 13 53.5 . . 1 . . . . . . . . 497 1
162 . 1 1 140 140 TRP CB C 13 28.5 . . 1 . . . . . . . . 497 1
163 . 1 1 141 141 SER CB C 13 67.3 . . 1 . . . . . . . . 497 1
stop_
save_