Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20078
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $1H
_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 '2D 1H-1H NOESY' . . . 20078 1
2 '2D DQF-COSY' . . . 20078 1
3 '2D 1H-1H TOCSY' . . . 20078 1
4 '2D 1H-1H COSY' . . . 20078 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $SPARKY . . 20078 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 LEU HA H 1 4.06 . . . . . . . 1 LEU HA . 20078 1
2 . 1 1 1 1 LEU HB2 H 1 1.80 . . . . . . . 1 LEU HB2 . 20078 1
3 . 1 1 1 1 LEU HB3 H 1 1.80 . . . . . . . 1 LEU HB3 . 20078 1
4 . 1 1 1 1 LEU HD11 H 1 0.99 . . . . . . . 1 LEU MD1 . 20078 1
5 . 1 1 1 1 LEU HD12 H 1 0.99 . . . . . . . 1 LEU MD1 . 20078 1
6 . 1 1 1 1 LEU HD13 H 1 0.99 . . . . . . . 1 LEU MD1 . 20078 1
7 . 1 1 1 1 LEU HD21 H 1 0.97 . . . . . . . 1 LEU MD2 . 20078 1
8 . 1 1 1 1 LEU HD22 H 1 0.97 . . . . . . . 1 LEU MD2 . 20078 1
9 . 1 1 1 1 LEU HD23 H 1 0.97 . . . . . . . 1 LEU MD2 . 20078 1
10 . 1 1 1 1 LEU HG H 1 1.80 . . . . . . . 1 LEU HG . 20078 1
11 . 1 1 2 2 GLY H H 1 9.17 . . . . . . . 2 GLY H . 20078 1
12 . 1 1 2 2 GLY HA2 H 1 3.98 . . . . . . . 2 GLY HA2 . 20078 1
13 . 1 1 2 2 GLY HA3 H 1 3.93 . . . . . . . 2 GLY HA3 . 20078 1
14 . 1 1 3 3 ALA H H 1 8.61 . . . . . . . 3 ALA H . 20078 1
15 . 1 1 3 3 ALA HA H 1 4.10 . . . . . . . 3 ALA HA . 20078 1
16 . 1 1 3 3 ALA HB1 H 1 1.51 . . . . . . . 3 ALA MB . 20078 1
17 . 1 1 3 3 ALA HB2 H 1 1.51 . . . . . . . 3 ALA MB . 20078 1
18 . 1 1 3 3 ALA HB3 H 1 1.51 . . . . . . . 3 ALA MB . 20078 1
19 . 1 1 4 4 TRP H H 1 8.33 . . . . . . . 4 TRP H . 20078 1
20 . 1 1 4 4 TRP HA H 1 4.38 . . . . . . . 4 TRP HA . 20078 1
21 . 1 1 4 4 TRP HB2 H 1 3.41 . . . . . . . 4 TRP HB2 . 20078 1
22 . 1 1 4 4 TRP HB3 H 1 3.41 . . . . . . . 4 TRP HB3 . 20078 1
23 . 1 1 4 4 TRP HD1 H 1 7.43 . . . . . . . 4 TRP HD1 . 20078 1
24 . 1 1 4 4 TRP HE1 H 1 10.71 . . . . . . . 4 TRP HE1 . 20078 1
25 . 1 1 4 4 TRP HE3 H 1 7.51 . . . . . . . 4 TRP HE3 . 20078 1
26 . 1 1 4 4 TRP HH2 H 1 7.09 . . . . . . . 4 TRP HH2 . 20078 1
27 . 1 1 4 4 TRP HZ2 H 1 7.54 . . . . . . . 4 TRP HZ2 . 20078 1
28 . 1 1 4 4 TRP HZ3 H 1 6.96 . . . . . . . 4 TRP HZ3 . 20078 1
29 . 1 1 5 5 LEU H H 1 7.95 . . . . . . . 5 LEU H . 20078 1
30 . 1 1 5 5 LEU HA H 1 3.79 . . . . . . . 5 LEU HA . 20078 1
31 . 1 1 5 5 LEU HB2 H 1 1.55 . . . . . . . 5 LEU HB2 . 20078 1
32 . 1 1 5 5 LEU HB3 H 1 1.55 . . . . . . . 5 LEU HB3 . 20078 1
33 . 1 1 5 5 LEU HD11 H 1 0.87 . . . . . . . 5 LEU MD1 . 20078 1
34 . 1 1 5 5 LEU HD12 H 1 0.87 . . . . . . . 5 LEU MD1 . 20078 1
35 . 1 1 5 5 LEU HD13 H 1 0.87 . . . . . . . 5 LEU MD1 . 20078 1
36 . 1 1 5 5 LEU HD21 H 1 0.82 . . . . . . . 5 LEU MD2 . 20078 1
37 . 1 1 5 5 LEU HD22 H 1 0.82 . . . . . . . 5 LEU MD2 . 20078 1
38 . 1 1 5 5 LEU HD23 H 1 0.82 . . . . . . . 5 LEU MD2 . 20078 1
39 . 1 1 5 5 LEU HG H 1 1.47 . . . . . . . 5 LEU HG . 20078 1
40 . 1 1 6 6 ALA H H 1 8.12 . . . . . . . 6 ALA H . 20078 1
41 . 1 1 6 6 ALA HA H 1 3.95 . . . . . . . 6 ALA HA . 20078 1
42 . 1 1 6 6 ALA HB1 H 1 1.41 . . . . . . . 6 ALA MB . 20078 1
43 . 1 1 6 6 ALA HB2 H 1 1.41 . . . . . . . 6 ALA MB . 20078 1
44 . 1 1 6 6 ALA HB3 H 1 1.41 . . . . . . . 6 ALA MB . 20078 1
45 . 1 1 7 7 GLY H H 1 8.13 . . . . . . . 7 GLY H . 20078 1
46 . 1 1 7 7 GLY HA2 H 1 3.96 . . . . . . . 7 GLY HA2 . 20078 1
47 . 1 1 7 7 GLY HA3 H 1 3.81 . . . . . . . 7 GLY HA3 . 20078 1
48 . 1 1 8 8 LYS H H 1 7.88 . . . . . . . 8 LYS H . 20078 1
49 . 1 1 8 8 LYS HA H 1 4.19 . . . . . . . 8 LYS HA . 20078 1
50 . 1 1 8 8 LYS HB2 H 1 1.77 . . . . . . . 8 LYS HB2 . 20078 1
51 . 1 1 8 8 LYS HB3 H 1 1.71 . . . . . . . 8 LYS HB3 . 20078 1
52 . 1 1 8 8 LYS HD2 H 1 1.57 . . . . . . . 8 LYS HD2 . 20078 1
53 . 1 1 8 8 LYS HD3 H 1 1.57 . . . . . . . 8 LYS HD3 . 20078 1
54 . 1 1 8 8 LYS HE2 H 1 2.88 . . . . . . . 8 LYS HE2 . 20078 1
55 . 1 1 8 8 LYS HE3 H 1 2.77 . . . . . . . 8 LYS HE3 . 20078 1
56 . 1 1 8 8 LYS HG2 H 1 1.23 . . . . . . . 8 LYS HG2 . 20078 1
57 . 1 1 8 8 LYS HG3 H 1 1.08 . . . . . . . 8 LYS HG3 . 20078 1
58 . 1 1 9 9 VAL H H 1 8.22 . . . . . . . 9 VAL H . 20078 1
59 . 1 1 9 9 VAL HA H 1 3.77 . . . . . . . 9 VAL HA . 20078 1
60 . 1 1 9 9 VAL HB H 1 2.20 . . . . . . . 9 VAL HB . 20078 1
61 . 1 1 9 9 VAL HG11 H 1 0.84 . . . . . . . 9 VAL MG1 . 20078 1
62 . 1 1 9 9 VAL HG12 H 1 0.84 . . . . . . . 9 VAL MG1 . 20078 1
63 . 1 1 9 9 VAL HG13 H 1 0.84 . . . . . . . 9 VAL MG1 . 20078 1
64 . 1 1 9 9 VAL HG21 H 1 0.84 . . . . . . . 9 VAL MG2 . 20078 1
65 . 1 1 9 9 VAL HG22 H 1 0.84 . . . . . . . 9 VAL MG2 . 20078 1
66 . 1 1 9 9 VAL HG23 H 1 0.84 . . . . . . . 9 VAL MG2 . 20078 1
67 . 1 1 10 10 ALA H H 1 8.41 . . . . . . . 10 ALA H . 20078 1
68 . 1 1 10 10 ALA HA H 1 3.96 . . . . . . . 10 ALA HA . 20078 1
69 . 1 1 10 10 ALA HB1 H 1 1.47 . . . . . . . 10 ALA MB . 20078 1
70 . 1 1 10 10 ALA HB2 H 1 1.47 . . . . . . . 10 ALA MB . 20078 1
71 . 1 1 10 10 ALA HB3 H 1 1.47 . . . . . . . 10 ALA MB . 20078 1
72 . 1 1 11 11 GLY H H 1 8.44 . . . . . . . 11 GLY H . 20078 1
73 . 1 1 11 11 GLY HA2 H 1 4.05 . . . . . . . 11 GLY HA2 . 20078 1
74 . 1 1 11 11 GLY HA3 H 1 3.82 . . . . . . . 11 GLY HA3 . 20078 1
75 . 1 1 12 12 THR H H 1 7.91 . . . . . . . 12 THR H . 20078 1
76 . 1 1 12 12 THR HA H 1 4.32 . . . . . . . 12 THR HA . 20078 1
77 . 1 1 12 12 THR HB H 1 4.11 . . . . . . . 12 THR HB . 20078 1
78 . 1 1 12 12 THR HG21 H 1 1.27 . . . . . . . 12 THR HG1 . 20078 1
79 . 1 1 12 12 THR HG22 H 1 1.27 . . . . . . . 12 THR HG1 . 20078 1
80 . 1 1 12 12 THR HG23 H 1 1.27 . . . . . . . 12 THR HG1 . 20078 1
81 . 1 1 13 13 VAL H H 1 8.32 . . . . . . . 13 VAL H . 20078 1
82 . 1 1 13 13 VAL HA H 1 3.72 . . . . . . . 13 VAL HA . 20078 1
83 . 1 1 13 13 VAL HB H 1 2.24 . . . . . . . 13 VAL HB . 20078 1
84 . 1 1 13 13 VAL HG11 H 1 1.07 . . . . . . . 13 VAL MG1 . 20078 1
85 . 1 1 13 13 VAL HG12 H 1 1.07 . . . . . . . 13 VAL MG1 . 20078 1
86 . 1 1 13 13 VAL HG13 H 1 1.07 . . . . . . . 13 VAL MG1 . 20078 1
87 . 1 1 13 13 VAL HG21 H 1 1.00 . . . . . . . 13 VAL MG2 . 20078 1
88 . 1 1 13 13 VAL HG22 H 1 1.00 . . . . . . . 13 VAL MG2 . 20078 1
89 . 1 1 13 13 VAL HG23 H 1 1.00 . . . . . . . 13 VAL MG2 . 20078 1
90 . 1 1 14 14 ALA H H 1 8.48 . . . . . . . 14 VAL H . 20078 1
91 . 1 1 14 14 ALA HA H 1 4.10 . . . . . . . 14 VAL HA . 20078 1
92 . 1 1 15 15 THR H H 1 7.99 . . . . . . . 15 THR H . 20078 1
93 . 1 1 15 15 THR HA H 1 4.32 . . . . . . . 15 THR HA . 20078 1
94 . 1 1 15 15 THR HB H 1 3.99 . . . . . . . 15 THR HB . 20078 1
95 . 1 1 15 15 THR HG21 H 1 1.29 . . . . . . . 15 THR HG1 . 20078 1
96 . 1 1 15 15 THR HG22 H 1 1.29 . . . . . . . 15 THR HG1 . 20078 1
97 . 1 1 15 15 THR HG23 H 1 1.29 . . . . . . . 15 THR HG1 . 20078 1
98 . 1 1 16 16 TYR H H 1 8.01 . . . . . . . 16 TYR H . 20078 1
99 . 1 1 16 16 TYR HA H 1 4.32 . . . . . . . 16 TYR HA . 20078 1
100 . 1 1 16 16 TYR HB2 H 1 3.19 . . . . . . . 16 TYR HB2 . 20078 1
101 . 1 1 16 16 TYR HB3 H 1 3.19 . . . . . . . 16 TYR HB3 . 20078 1
102 . 1 1 16 16 TYR HD1 H 1 7.12 . . . . . . . 16 TYR HD1 . 20078 1
103 . 1 1 16 16 TYR HD2 H 1 7.12 . . . . . . . 16 TYR HD2 . 20078 1
104 . 1 1 16 16 TYR HE1 H 1 6.80 . . . . . . . 16 TYR HE1 . 20078 1
105 . 1 1 16 16 TYR HE2 H 1 6.80 . . . . . . . 16 TYR HE2 . 20078 1
106 . 1 1 17 17 ALA H H 1 8.70 . . . . . . . 17 ALA H . 20078 1
107 . 1 1 17 17 ALA HA H 1 3.99 . . . . . . . 17 ALA HA . 20078 1
108 . 1 1 17 17 ALA HB1 H 1 1.62 . . . . . . . 17 ALA MB . 20078 1
109 . 1 1 17 17 ALA HB2 H 1 1.62 . . . . . . . 17 ALA MB . 20078 1
110 . 1 1 17 17 ALA HB3 H 1 1.62 . . . . . . . 17 ALA MB . 20078 1
111 . 1 1 18 18 TRP H H 1 8.68 . . . . . . . 18 TRP H . 20078 1
112 . 1 1 18 18 TRP HA H 1 4.21 . . . . . . . 18 TRP HA . 20078 1
113 . 1 1 18 18 TRP HB2 H 1 3.42 . . . . . . . 18 TRP HB2 . 20078 1
114 . 1 1 18 18 TRP HB3 H 1 3.42 . . . . . . . 18 TRP HB3 . 20078 1
115 . 1 1 18 18 TRP HD1 H 1 7.20 . . . . . . . 18 TRP HD1 . 20078 1
116 . 1 1 18 18 TRP HE1 H 1 10.49 . . . . . . . 18 TRP HE1 . 20078 1
117 . 1 1 18 18 TRP HE3 H 1 7.47 . . . . . . . 18 TRP HE3 . 20078 1
118 . 1 1 18 18 TRP HH2 H 1 7.15 . . . . . . . 18 TRP HH2 . 20078 1
119 . 1 1 18 18 TRP HZ2 H 1 7.51 . . . . . . . 18 TRP HZ2 . 20078 1
120 . 1 1 18 18 TRP HZ3 H 1 6.98 . . . . . . . 18 TRP HZ3 . 20078 1
121 . 1 1 19 19 ASN H H 1 8.35 . . . . . . . 19 ASN H . 20078 1
122 . 1 1 19 19 ASN HA H 1 4.34 . . . . . . . 19 ASN HA . 20078 1
123 . 1 1 19 19 ASN HB2 H 1 2.92 . . . . . . . 19 ASN HB2 . 20078 1
124 . 1 1 19 19 ASN HB3 H 1 2.71 . . . . . . . 19 ASN HB3 . 20078 1
125 . 1 1 19 19 ASN HD21 H 1 7.58 . . . . . . . 19 ASN HD21 . 20078 1
126 . 1 1 19 19 ASN HD22 H 1 6.99 . . . . . . . 19 ASN HD22 . 20078 1
127 . 1 1 20 20 ARG H H 1 7.91 . . . . . . . 20 ARG H . 20078 1
128 . 1 1 20 20 ARG HA H 1 3.99 . . . . . . . 20 ARG HA . 20078 1
129 . 1 1 20 20 ARG HB2 H 1 1.49 . . . . . . . 20 ARG HB2 . 20078 1
130 . 1 1 20 20 ARG HB3 H 1 1.49 . . . . . . . 20 ARG HB3 . 20078 1
131 . 1 1 20 20 ARG HD2 H 1 3.04 . . . . . . . 20 ARG HD2 . 20078 1
132 . 1 1 20 20 ARG HD3 H 1 2.86 . . . . . . . 20 ARG HD3 . 20078 1
133 . 1 1 20 20 ARG HE H 1 7.35 . . . . . . . 20 ARG HE . 20078 1
134 . 1 1 20 20 ARG HG2 H 1 1.15 . . . . . . . 20 ARG HG2 . 20078 1
135 . 1 1 20 20 ARG HG3 H 1 1.09 . . . . . . . 20 ARG HG3 . 20078 1
136 . 1 1 20 20 ARG HH11 H 1 6.96 . . . . . . . 20 ARG HH11 . 20078 1
137 . 1 1 20 20 ARG HH12 H 1 6.96 . . . . . . . 20 ARG HH12 . 20078 1
138 . 1 1 20 20 ARG HH21 H 1 6.87 . . . . . . . 20 ARG HH21 . 20078 1
139 . 1 1 20 20 ARG HH22 H 1 6.87 . . . . . . . 20 ARG HH22 . 20078 1
140 . 1 1 21 21 TYR H H 1 7.95 . . . . . . . 21 TYR H . 20078 1
141 . 1 1 21 21 TYR HA H 1 4.34 . . . . . . . 21 TYR HA . 20078 1
142 . 1 1 21 21 TYR HB2 H 1 3.01 . . . . . . . 21 TYR HB2 . 20078 1
143 . 1 1 21 21 TYR HB3 H 1 2.80 . . . . . . . 21 TYR HB3 . 20078 1
144 . 1 1 21 21 TYR HD1 H 1 6.98 . . . . . . . 21 TYR HD1 . 20078 1
145 . 1 1 21 21 TYR HD2 H 1 6.98 . . . . . . . 21 TYR HD2 . 20078 1
146 . 1 1 21 21 TYR HE1 H 1 6.74 . . . . . . . 21 TYR HE1 . 20078 1
147 . 1 1 21 21 TYR HE2 H 1 6.74 . . . . . . . 21 TYR HE2 . 20078 1
148 . 1 1 22 22 VAL H H 1 7.83 . . . . . . . 22 VAL H . 20078 1
149 . 1 1 22 22 VAL HA H 1 3.65 . . . . . . . 22 VAL HA . 20078 1
150 . 1 1 22 22 VAL HB H 1 1.29 . . . . . . . 22 VAL HB . 20078 1
151 . 1 1 22 22 VAL HG11 H 1 0.43 . . . . . . . 22 VAL MG1 . 20078 1
152 . 1 1 22 22 VAL HG12 H 1 0.43 . . . . . . . 22 VAL MG1 . 20078 1
153 . 1 1 22 22 VAL HG13 H 1 0.43 . . . . . . . 22 VAL MG1 . 20078 1
154 . 1 1 22 22 VAL HG21 H 1 0.43 . . . . . . . 22 VAL MG2 . 20078 1
155 . 1 1 22 22 VAL HG22 H 1 0.43 . . . . . . . 22 VAL MG2 . 20078 1
156 . 1 1 22 22 VAL HG23 H 1 0.43 . . . . . . . 22 VAL MG2 . 20078 1
stop_
save_