Content for NMR-STAR saveframe, "shift_set_1"
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5082
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 '1H-1H NOESY' 1 $sample_1 . 5082 1
2 '1H-1H TOCSY' 1 $sample_1 . 5082 1
3 '1H-1H COSY' 1 $sample_1 . 5082 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.Ambiguity_set_ID
_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 ALA HA H 1 4.17 0.2 . 1 . . . . . . . . . 5082 1
2 . 1 1 1 1 ALA HB1 H 1 1.57 0.2 . 1 . . . . . . . . . 5082 1
3 . 1 1 1 1 ALA HB2 H 1 1.57 0.2 . 1 . . . . . . . . . 5082 1
4 . 1 1 1 1 ALA HB3 H 1 1.57 0.2 . 1 . . . . . . . . . 5082 1
5 . 1 1 2 2 CYS H H 1 9.10 0.2 . 1 . . . . . . . . . 5082 1
6 . 1 1 2 2 CYS HA H 1 4.22 0.2 . 1 . . . . . . . . . 5082 1
7 . 1 1 2 2 CYS HB2 H 1 3.45 0.2 . 1 . . . . . . . . . 5082 1
8 . 1 1 2 2 CYS HB3 H 1 2.93 0.2 . 1 . . . . . . . . . 5082 1
9 . 1 1 3 3 GLY H H 1 8.46 0.2 . 1 . . . . . . . . . 5082 1
10 . 1 1 3 3 GLY HA2 H 1 3.86 0.2 . 1 . . . . . . . . . 5082 1
11 . 1 1 3 3 GLY HA3 H 1 3.86 0.2 . 1 . . . . . . . . . 5082 1
12 . 1 1 4 4 SER H H 1 8.65 0.2 . 1 . . . . . . . . . 5082 1
13 . 1 1 4 4 SER HA H 1 4.61 0.2 . 1 . . . . . . . . . 5082 1
14 . 1 1 4 4 SER HB2 H 1 3.96 0.2 . 1 . . . . . . . . . 5082 1
15 . 1 1 4 4 SER HB3 H 1 3.96 0.2 . 1 . . . . . . . . . 5082 1
16 . 1 1 5 5 CYS HA H 1 4.65 0.2 . 1 . . . . . . . . . 5082 1
17 . 1 1 5 5 CYS HB2 H 1 2.76 0.2 . 1 . . . . . . . . . 5082 1
18 . 1 1 5 5 CYS HB3 H 1 2.76 0.2 . 1 . . . . . . . . . 5082 1
19 . 1 1 6 6 ARG H H 1 8.49 0.2 . 1 . . . . . . . . . 5082 1
20 . 1 1 6 6 ARG HA H 1 4.15 0.2 . 1 . . . . . . . . . 5082 1
21 . 1 1 6 6 ARG HB2 H 1 1.82 0.2 . 2 . . . . . . . . . 5082 1
22 . 1 1 6 6 ARG HB3 H 1 1.76 0.2 . 2 . . . . . . . . . 5082 1
23 . 1 1 6 6 ARG HG2 H 1 1.67 0.2 . 2 . . . . . . . . . 5082 1
24 . 1 1 6 6 ARG HG3 H 1 1.60 0.2 . 2 . . . . . . . . . 5082 1
25 . 1 1 6 6 ARG HD2 H 1 3.22 0.2 . 1 . . . . . . . . . 5082 1
26 . 1 1 6 6 ARG HD3 H 1 3.22 0.2 . 1 . . . . . . . . . 5082 1
27 . 1 1 6 6 ARG HE H 1 7.28 0.2 . 1 . . . . . . . . . 5082 1
28 . 1 1 7 7 LYS H H 1 7.82 0.2 . 1 . . . . . . . . . 5082 1
29 . 1 1 7 7 LYS HA H 1 4.14 0.2 . 1 . . . . . . . . . 5082 1
30 . 1 1 7 7 LYS HB2 H 1 1.88 0.2 . 1 . . . . . . . . . 5082 1
31 . 1 1 7 7 LYS HB3 H 1 1.88 0.2 . 1 . . . . . . . . . 5082 1
32 . 1 1 7 7 LYS HG2 H 1 1.50 0.2 . 2 . . . . . . . . . 5082 1
33 . 1 1 7 7 LYS HG3 H 1 1.39 0.2 . 2 . . . . . . . . . 5082 1
34 . 1 1 7 7 LYS HD2 H 1 1.70 0.2 . 1 . . . . . . . . . 5082 1
35 . 1 1 7 7 LYS HD3 H 1 1.70 0.2 . 1 . . . . . . . . . 5082 1
36 . 1 1 7 7 LYS HE2 H 1 2.99 0.2 . 1 . . . . . . . . . 5082 1
37 . 1 1 7 7 LYS HE3 H 1 2.99 0.2 . 1 . . . . . . . . . 5082 1
38 . 1 1 7 7 LYS HZ1 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
39 . 1 1 7 7 LYS HZ2 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
40 . 1 1 7 7 LYS HZ3 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
41 . 1 1 8 8 LYS H H 1 8.07 0.2 . 1 . . . . . . . . . 5082 1
42 . 1 1 8 8 LYS HA H 1 4.10 0.2 . 1 . . . . . . . . . 5082 1
43 . 1 1 8 8 LYS HB2 H 1 1.93 0.2 . 1 . . . . . . . . . 5082 1
44 . 1 1 8 8 LYS HB3 H 1 1.93 0.2 . 1 . . . . . . . . . 5082 1
45 . 1 1 8 8 LYS HG2 H 1 1.55 0.2 . 2 . . . . . . . . . 5082 1
46 . 1 1 8 8 LYS HG3 H 1 1.44 0.2 . 2 . . . . . . . . . 5082 1
47 . 1 1 8 8 LYS HD2 H 1 1.64 0.2 . 1 . . . . . . . . . 5082 1
48 . 1 1 8 8 LYS HD3 H 1 1.64 0.2 . 1 . . . . . . . . . 5082 1
49 . 1 1 8 8 LYS HE2 H 1 2.98 0.2 . 1 . . . . . . . . . 5082 1
50 . 1 1 8 8 LYS HE3 H 1 2.98 0.2 . 1 . . . . . . . . . 5082 1
51 . 1 1 8 8 LYS HZ1 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
52 . 1 1 8 8 LYS HZ2 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
53 . 1 1 8 8 LYS HZ3 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
54 . 1 1 9 9 CYS H H 1 8.03 0.2 . 1 . . . . . . . . . 5082 1
55 . 1 1 9 9 CYS HA H 1 4.74 0.2 . 1 . . . . . . . . . 5082 1
56 . 1 1 9 9 CYS HB2 H 1 3.15 0.2 . 1 . . . . . . . . . 5082 1
57 . 1 1 9 9 CYS HB3 H 1 2.59 0.2 . 1 . . . . . . . . . 5082 1
58 . 1 1 10 10 LYS H H 1 8.22 0.2 . 1 . . . . . . . . . 5082 1
59 . 1 1 10 10 LYS HA H 1 4.02 0.2 . 1 . . . . . . . . . 5082 1
60 . 1 1 10 10 LYS HB2 H 1 1.97 0.2 . 1 . . . . . . . . . 5082 1
61 . 1 1 10 10 LYS HB3 H 1 1.97 0.2 . 1 . . . . . . . . . 5082 1
62 . 1 1 10 10 LYS HG2 H 1 1.42 0.2 . 1 . . . . . . . . . 5082 1
63 . 1 1 10 10 LYS HG3 H 1 1.42 0.2 . 1 . . . . . . . . . 5082 1
64 . 1 1 10 10 LYS HD2 H 1 1.72 0.2 . 1 . . . . . . . . . 5082 1
65 . 1 1 10 10 LYS HD3 H 1 1.72 0.2 . 1 . . . . . . . . . 5082 1
66 . 1 1 10 10 LYS HE2 H 1 3.02 0.2 . 1 . . . . . . . . . 5082 1
67 . 1 1 10 10 LYS HE3 H 1 3.02 0.2 . 1 . . . . . . . . . 5082 1
68 . 1 1 10 10 LYS HZ1 H 1 7.61 0.2 . 2 . . . . . . . . . 5082 1
69 . 1 1 10 10 LYS HZ2 H 1 7.61 0.2 . 2 . . . . . . . . . 5082 1
70 . 1 1 10 10 LYS HZ3 H 1 7.61 0.2 . 2 . . . . . . . . . 5082 1
71 . 1 1 11 11 GLY H H 1 8.36 0.2 . 1 . . . . . . . . . 5082 1
72 . 1 1 11 11 GLY HA2 H 1 4.22 0.2 . 2 . . . . . . . . . 5082 1
73 . 1 1 11 11 GLY HA3 H 1 3.73 0.2 . 2 . . . . . . . . . 5082 1
74 . 1 1 12 12 SER H H 1 7.99 0.2 . 1 . . . . . . . . . 5082 1
75 . 1 1 12 12 SER HA H 1 4.47 0.2 . 1 . . . . . . . . . 5082 1
76 . 1 1 12 12 SER HB2 H 1 3.52 0.2 . 1 . . . . . . . . . 5082 1
77 . 1 1 12 12 SER HB3 H 1 3.52 0.2 . 1 . . . . . . . . . 5082 1
78 . 1 1 13 13 GLY H H 1 8.05 0.2 . 1 . . . . . . . . . 5082 1
79 . 1 1 13 13 GLY HA2 H 1 4.70 0.2 . 2 . . . . . . . . . 5082 1
80 . 1 1 13 13 GLY HA3 H 1 3.81 0.2 . 2 . . . . . . . . . 5082 1
81 . 1 1 14 14 LYS H H 1 8.73 0.2 . 1 . . . . . . . . . 5082 1
82 . 1 1 14 14 LYS HA H 1 4.70 0.2 . 1 . . . . . . . . . 5082 1
83 . 1 1 14 14 LYS HB2 H 1 1.85 0.2 . 1 . . . . . . . . . 5082 1
84 . 1 1 14 14 LYS HB3 H 1 1.85 0.2 . 1 . . . . . . . . . 5082 1
85 . 1 1 14 14 LYS HG2 H 1 1.43 0.2 . 1 . . . . . . . . . 5082 1
86 . 1 1 14 14 LYS HG3 H 1 1.43 0.2 . 1 . . . . . . . . . 5082 1
87 . 1 1 14 14 LYS HD2 H 1 1.66 0.2 . 1 . . . . . . . . . 5082 1
88 . 1 1 14 14 LYS HD3 H 1 1.66 0.2 . 1 . . . . . . . . . 5082 1
89 . 1 1 14 14 LYS HE2 H 1 2.86 0.2 . 1 . . . . . . . . . 5082 1
90 . 1 1 14 14 LYS HE3 H 1 2.86 0.2 . 1 . . . . . . . . . 5082 1
91 . 1 1 14 14 LYS HZ1 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
92 . 1 1 14 14 LYS HZ2 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
93 . 1 1 14 14 LYS HZ3 H 1 7.56 0.2 . 2 . . . . . . . . . 5082 1
94 . 1 1 15 15 CYS H H 1 9.08 0.2 . 1 . . . . . . . . . 5082 1
95 . 1 1 15 15 CYS HA H 1 4.88 0.2 . 1 . . . . . . . . . 5082 1
96 . 1 1 15 15 CYS HB2 H 1 3.06 0.2 . 1 . . . . . . . . . 5082 1
97 . 1 1 15 15 CYS HB3 H 1 3.06 0.2 . 1 . . . . . . . . . 5082 1
98 . 1 1 16 16 ILE H H 1 9.14 0.2 . 1 . . . . . . . . . 5082 1
99 . 1 1 16 16 ILE HA H 1 4.37 0.2 . 1 . . . . . . . . . 5082 1
100 . 1 1 16 16 ILE HB H 1 1.82 0.2 . 1 . . . . . . . . . 5082 1
101 . 1 1 16 16 ILE HG12 H 1 1.48 0.2 . 2 . . . . . . . . . 5082 1
102 . 1 1 16 16 ILE HG13 H 1 1.13 0.2 . 2 . . . . . . . . . 5082 1
103 . 1 1 16 16 ILE HG21 H 1 0.89 0.2 . 1 . . . . . . . . . 5082 1
104 . 1 1 16 16 ILE HG22 H 1 0.89 0.2 . 1 . . . . . . . . . 5082 1
105 . 1 1 16 16 ILE HG23 H 1 0.89 0.2 . 1 . . . . . . . . . 5082 1
106 . 1 1 16 16 ILE HD11 H 1 0.87 0.2 . 1 . . . . . . . . . 5082 1
107 . 1 1 16 16 ILE HD12 H 1 0.87 0.2 . 1 . . . . . . . . . 5082 1
108 . 1 1 16 16 ILE HD13 H 1 0.87 0.2 . 1 . . . . . . . . . 5082 1
109 . 1 1 17 17 ASN H H 1 9.67 0.2 . 1 . . . . . . . . . 5082 1
110 . 1 1 17 17 ASN HA H 1 4.36 0.2 . 1 . . . . . . . . . 5082 1
111 . 1 1 17 17 ASN HB2 H 1 3.10 0.2 . 1 . . . . . . . . . 5082 1
112 . 1 1 17 17 ASN HB3 H 1 2.76 0.2 . 1 . . . . . . . . . 5082 1
113 . 1 1 17 17 ASN HD21 H 1 7.74 0.2 . 2 . . . . . . . . . 5082 1
114 . 1 1 17 17 ASN HD22 H 1 7.04 0.2 . 2 . . . . . . . . . 5082 1
115 . 1 1 18 18 GLY H H 1 8.47 0.2 . 1 . . . . . . . . . 5082 1
116 . 1 1 18 18 GLY HA2 H 1 4.07 0.2 . 2 . . . . . . . . . 5082 1
117 . 1 1 18 18 GLY HA3 H 1 3.58 0.2 . 2 . . . . . . . . . 5082 1
118 . 1 1 19 19 ARG H H 1 7.75 0.2 . 1 . . . . . . . . . 5082 1
119 . 1 1 19 19 ARG HA H 1 4.64 0.2 . 1 . . . . . . . . . 5082 1
120 . 1 1 19 19 ARG HB2 H 1 1.82 0.2 . 2 . . . . . . . . . 5082 1
121 . 1 1 19 19 ARG HB3 H 1 1.74 0.2 . 2 . . . . . . . . . 5082 1
122 . 1 1 19 19 ARG HG2 H 1 1.61 0.2 . 1 . . . . . . . . . 5082 1
123 . 1 1 19 19 ARG HG3 H 1 1.61 0.2 . 1 . . . . . . . . . 5082 1
124 . 1 1 19 19 ARG HD2 H 1 3.22 0.2 . 1 . . . . . . . . . 5082 1
125 . 1 1 19 19 ARG HD3 H 1 3.22 0.2 . 1 . . . . . . . . . 5082 1
126 . 1 1 19 19 ARG HE H 1 7.21 0.2 . 1 . . . . . . . . . 5082 1
127 . 1 1 20 20 CYS H H 1 9.11 0.2 . 1 . . . . . . . . . 5082 1
128 . 1 1 20 20 CYS HA H 1 4.89 0.2 . 1 . . . . . . . . . 5082 1
129 . 1 1 20 20 CYS HB2 H 1 2.85 0.2 . 1 . . . . . . . . . 5082 1
130 . 1 1 20 20 CYS HB3 H 1 2.58 0.2 . 1 . . . . . . . . . 5082 1
131 . 1 1 21 21 LYS H H 1 9.51 0.2 . 1 . . . . . . . . . 5082 1
132 . 1 1 21 21 LYS HA H 1 4.60 0.2 . 1 . . . . . . . . . 5082 1
133 . 1 1 21 21 LYS HB2 H 1 1.94 0.2 . 1 . . . . . . . . . 5082 1
134 . 1 1 21 21 LYS HB3 H 1 1.94 0.2 . 1 . . . . . . . . . 5082 1
135 . 1 1 21 21 LYS HG2 H 1 1.31 0.2 . 1 . . . . . . . . . 5082 1
136 . 1 1 21 21 LYS HG3 H 1 1.31 0.2 . 1 . . . . . . . . . 5082 1
137 . 1 1 21 21 LYS HD2 H 1 1.72 0.2 . 2 . . . . . . . . . 5082 1
138 . 1 1 21 21 LYS HD3 H 1 1.65 0.2 . 2 . . . . . . . . . 5082 1
139 . 1 1 21 21 LYS HE2 H 1 2.94 0.2 . 1 . . . . . . . . . 5082 1
140 . 1 1 21 21 LYS HE3 H 1 2.94 0.2 . 1 . . . . . . . . . 5082 1
141 . 1 1 21 21 LYS HZ1 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
142 . 1 1 21 21 LYS HZ2 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
143 . 1 1 21 21 LYS HZ3 H 1 7.63 0.2 . 2 . . . . . . . . . 5082 1
144 . 1 1 22 22 CYS H H 1 8.95 0.2 . 1 . . . . . . . . . 5082 1
145 . 1 1 22 22 CYS HA H 1 5.20 0.2 . 1 . . . . . . . . . 5082 1
146 . 1 1 22 22 CYS HB2 H 1 3.55 0.2 . 1 . . . . . . . . . 5082 1
147 . 1 1 22 22 CYS HB3 H 1 2.65 0.2 . 1 . . . . . . . . . 5082 1
148 . 1 1 23 23 TYR H H 1 8.16 0.2 . 1 . . . . . . . . . 5082 1
149 . 1 1 23 23 TYR HA H 1 4.62 0.2 . 1 . . . . . . . . . 5082 1
150 . 1 1 23 23 TYR HB2 H 1 3.05 0.2 . 1 . . . . . . . . . 5082 1
151 . 1 1 23 23 TYR HB3 H 1 2.92 0.2 . 1 . . . . . . . . . 5082 1
152 . 1 1 23 23 TYR HD1 H 1 7.05 0.2 . 1 . . . . . . . . . 5082 1
153 . 1 1 23 23 TYR HD2 H 1 7.05 0.2 . 1 . . . . . . . . . 5082 1
154 . 1 1 23 23 TYR HE1 H 1 6.66 0.2 . 1 . . . . . . . . . 5082 1
155 . 1 1 23 23 TYR HE2 H 1 6.66 0.2 . 1 . . . . . . . . . 5082 1
stop_
save_