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 11005
_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 $chemical_shift_reference_1
_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 TOCSY' . . . 11005 1
2 '2D DQF-COSY' . . . 11005 1
3 '2D 1H-1H NOESY' . . . 11005 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
2 $NMRView . . 11005 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 2 2 TRP H H 1 8.237 0.005 . 1 . . . . 2 TRP H . 11005 1
2 . 1 1 2 2 TRP HA H 1 4.426 0.005 . 1 . . . . 2 TRP HA . 11005 1
3 . 1 1 2 2 TRP HB2 H 1 3.350 0.005 . 1 . . . . 2 TRP HB2 . 11005 1
4 . 1 1 2 2 TRP HB3 H 1 3.214 0.005 . 1 . . . . 2 TRP HB3 . 11005 1
5 . 1 1 2 2 TRP HD1 H 1 7.310 0.005 . 1 . . . . 2 TRP HD1 . 11005 1
6 . 1 1 2 2 TRP HE1 H 1 10.175 0.005 . 1 . . . . 2 TRP HE1 . 11005 1
7 . 1 1 2 2 TRP HE3 H 1 7.453 0.005 . 1 . . . . 2 TRP HE3 . 11005 1
8 . 1 1 2 2 TRP HZ2 H 1 7.438 0.005 . 1 . . . . 2 TRP HZ2 . 11005 1
9 . 1 1 2 2 TRP HZ3 H 1 7.080 0.005 . 1 . . . . 2 TRP HZ3 . 11005 1
10 . 1 1 2 2 TRP HH2 H 1 7.172 0.005 . 1 . . . . 2 TRP HH2 . 11005 1
11 . 1 1 3 3 GLU H H 1 8.408 0.005 . 1 . . . . 3 GLU H . 11005 1
12 . 1 1 3 3 GLU HA H 1 3.678 0.005 . 1 . . . . 3 GLU HA . 11005 1
13 . 1 1 3 3 GLU HB3 H 1 1.686 0.005 . 1 . . . . 3 GLU HB3 . 11005 1
14 . 1 1 3 3 GLU HG2 H 1 1.836 0.005 . 2 . . . . 3 GLU HG* . 11005 1
15 . 1 1 3 3 GLU HG3 H 1 1.545 0.005 . 2 . . . . 3 GLU HG* . 11005 1
16 . 1 1 3 3 GLU HB2 H 1 1.510 0.005 . 1 . . . . 3 GLU HB2 . 11005 1
17 . 1 1 4 4 ALA H H 1 8.141 0.005 . 1 . . . . 4 ALA H . 11005 1
18 . 1 1 4 4 ALA HA H 1 3.989 0.005 . 1 . . . . 4 ALA HA . 11005 1
19 . 1 1 4 4 ALA HB1 H 1 1.363 0.005 . 1 . . . . 4 ALA HB . 11005 1
20 . 1 1 4 4 ALA HB2 H 1 1.363 0.005 . 1 . . . . 4 ALA HB . 11005 1
21 . 1 1 4 4 ALA HB3 H 1 1.363 0.005 . 1 . . . . 4 ALA HB . 11005 1
22 . 1 1 5 5 GLN H H 1 8.010 0.005 . 1 . . . . 5 GLN H . 11005 1
23 . 1 1 5 5 GLN HA H 1 4.056 0.005 . 1 . . . . 5 GLN HA . 11005 1
24 . 1 1 5 5 GLN HB2 H 1 2.055 0.005 . 1 . . . . 5 GLN HB* . 11005 1
25 . 1 1 5 5 GLN HB3 H 1 2.055 0.005 . 1 . . . . 5 GLN HB* . 11005 1
26 . 1 1 5 5 GLN HG2 H 1 2.409 0.005 . 2 . . . . 5 GLN HG* . 11005 1
27 . 1 1 5 5 GLN HG3 H 1 2.342 0.005 . 2 . . . . 5 GLN HG* . 11005 1
28 . 1 1 5 5 GLN HE21 H 1 7.539 0.005 . 2 . . . . 5 GLN HE2* . 11005 1
29 . 1 1 5 5 GLN HE22 H 1 6.873 0.005 . 2 . . . . 5 GLN HE2* . 11005 1
30 . 1 1 6 6 ALA H H 1 8.206 0.005 . 1 . . . . 6 ALA H . 11005 1
31 . 1 1 6 6 ALA HA H 1 4.168 0.005 . 1 . . . . 6 ALA HA . 11005 1
32 . 1 1 6 6 ALA HB1 H 1 1.403 0.005 . 1 . . . . 6 ALA HB . 11005 1
33 . 1 1 6 6 ALA HB2 H 1 1.403 0.005 . 1 . . . . 6 ALA HB . 11005 1
34 . 1 1 6 6 ALA HB3 H 1 1.403 0.005 . 1 . . . . 6 ALA HB . 11005 1
35 . 1 1 7 7 ARG H H 1 8.072 0.005 . 1 . . . . 7 ARG H . 11005 1
36 . 1 1 7 7 ARG HA H 1 4.043 0.005 . 1 . . . . 7 ARG HA . 11005 1
37 . 1 1 7 7 ARG HB2 H 1 1.851 0.005 . 1 . . . . 7 ARG HB* . 11005 1
38 . 1 1 7 7 ARG HB3 H 1 1.851 0.005 . 1 . . . . 7 ARG HB* . 11005 1
39 . 1 1 7 7 ARG HG2 H 1 1.722 0.005 . 2 . . . . 7 ARG HG* . 11005 1
40 . 1 1 7 7 ARG HG3 H 1 1.552 0.005 . 2 . . . . 7 ARG HG* . 11005 1
41 . 1 1 7 7 ARG HD2 H 1 3.176 0.005 . 2 . . . . 7 ARG HD* . 11005 1
42 . 1 1 7 7 ARG HD3 H 1 3.128 0.005 . 2 . . . . 7 ARG HD* . 11005 1
43 . 1 1 7 7 ARG HE H 1 7.327 0.005 . 1 . . . . 7 ARG HE . 11005 1
44 . 1 1 7 7 ARG HH11 H 1 6.922 0.005 . 4 . . . . 7 ARG HH* . 11005 1
45 . 1 1 7 7 ARG HH12 H 1 6.922 0.005 . 4 . . . . 7 ARG HH* . 11005 1
46 . 1 1 7 7 ARG HH21 H 1 6.497 0.005 . 4 . . . . 7 ARG HH* . 11005 1
47 . 1 1 7 7 ARG HH22 H 1 6.497 0.005 . 4 . . . . 7 ARG HH* . 11005 1
48 . 1 1 8 8 GLU H H 1 8.229 0.005 . 1 . . . . 8 GLU H . 11005 1
49 . 1 1 8 8 GLU HA H 1 4.113 0.005 . 1 . . . . 8 GLU HA . 11005 1
50 . 1 1 8 8 GLU HB2 H 1 2.046 0.005 . 1 . . . . 8 GLU HB* . 11005 1
51 . 1 1 8 8 GLU HB3 H 1 2.046 0.005 . 1 . . . . 8 GLU HB* . 11005 1
52 . 1 1 8 8 GLU HG2 H 1 2.368 0.005 . 2 . . . . 8 GLU HG* . 11005 1
53 . 1 1 8 8 GLU HG3 H 1 2.281 0.005 . 2 . . . . 8 GLU HG* . 11005 1
54 . 1 1 9 9 ALA H H 1 8.084 0.005 . 1 . . . . 9 ALA H . 11005 1
55 . 1 1 9 9 ALA HA H 1 4.152 0.005 . 1 . . . . 9 ALA HA . 11005 1
56 . 1 1 9 9 ALA HB1 H 1 1.456 0.005 . 1 . . . . 9 ALA HB . 11005 1
57 . 1 1 9 9 ALA HB2 H 1 1.456 0.005 . 1 . . . . 9 ALA HB . 11005 1
58 . 1 1 9 9 ALA HB3 H 1 1.456 0.005 . 1 . . . . 9 ALA HB . 11005 1
59 . 1 1 10 10 LEU H H 1 7.932 0.005 . 1 . . . . 10 LEU H . 11005 1
60 . 1 1 10 10 LEU HA H 1 4.133 0.005 . 1 . . . . 10 LEU HA . 11005 1
61 . 1 1 10 10 LEU HB2 H 1 1.768 0.005 . 2 . . . . 10 LEU HB* . 11005 1
62 . 1 1 10 10 LEU HB3 H 1 1.714 0.005 . 2 . . . . 10 LEU HB* . 11005 1
63 . 1 1 10 10 LEU HG H 1 1.574 0.005 . 1 . . . . 10 LEU HG . 11005 1
64 . 1 1 10 10 LEU HD11 H 1 0.885 0.005 . 2 . . . . 10 LEU HD* . 11005 1
65 . 1 1 10 10 LEU HD12 H 1 0.885 0.005 . 2 . . . . 10 LEU HD* . 11005 1
66 . 1 1 10 10 LEU HD13 H 1 0.885 0.005 . 2 . . . . 10 LEU HD* . 11005 1
67 . 1 1 10 10 LEU HD21 H 1 0.861 0.005 . 2 . . . . 10 LEU HD* . 11005 1
68 . 1 1 10 10 LEU HD22 H 1 0.861 0.005 . 2 . . . . 10 LEU HD* . 11005 1
69 . 1 1 10 10 LEU HD23 H 1 0.861 0.005 . 2 . . . . 10 LEU HD* . 11005 1
70 . 1 1 11 11 ALA H H 1 7.963 0.005 . 1 . . . . 11 ALA H . 11005 1
71 . 1 1 11 11 ALA HA H 1 4.193 0.005 . 1 . . . . 11 ALA HA . 11005 1
72 . 1 1 11 11 ALA HB1 H 1 1.448 0.005 . 1 . . . . 11 ALA HB . 11005 1
73 . 1 1 11 11 ALA HB2 H 1 1.448 0.005 . 1 . . . . 11 ALA HB . 11005 1
74 . 1 1 11 11 ALA HB3 H 1 1.448 0.005 . 1 . . . . 11 ALA HB . 11005 1
75 . 1 1 12 12 LYS H H 1 8.140 0.005 . 1 . . . . 12 LYS H . 11005 1
76 . 1 1 12 12 LYS HA H 1 4.091 0.005 . 1 . . . . 12 LYS HA . 11005 1
77 . 1 1 12 12 LYS HB2 H 1 1.871 0.005 . 1 . . . . 12 LYS HB* . 11005 1
78 . 1 1 12 12 LYS HB3 H 1 1.871 0.005 . 1 . . . . 12 LYS HB* . 11005 1
79 . 1 1 12 12 LYS HG2 H 1 1.548 0.005 . 2 . . . . 12 LYS HG* . 11005 1
80 . 1 1 12 12 LYS HG3 H 1 1.417 0.005 . 2 . . . . 12 LYS HG* . 11005 1
81 . 1 1 12 12 LYS HD2 H 1 1.652 0.005 . 1 . . . . 12 LYS HD* . 11005 1
82 . 1 1 12 12 LYS HD3 H 1 1.652 0.005 . 1 . . . . 12 LYS HD* . 11005 1
83 . 1 1 12 12 LYS HE2 H 1 2.942 0.005 . 1 . . . . 12 LYS HE* . 11005 1
84 . 1 1 12 12 LYS HE3 H 1 2.942 0.005 . 1 . . . . 12 LYS HE* . 11005 1
85 . 1 1 12 12 LYS HZ1 H 1 7.607 0.005 . 1 . . . . 12 LYS HZ . 11005 1
86 . 1 1 12 12 LYS HZ2 H 1 7.607 0.005 . 1 . . . . 12 LYS HZ . 11005 1
87 . 1 1 12 12 LYS HZ3 H 1 7.607 0.005 . 1 . . . . 12 LYS HZ . 11005 1
88 . 1 1 13 13 GLU H H 1 8.072 0.005 . 1 . . . . 13 GLU H . 11005 1
89 . 1 1 13 13 GLU HA H 1 4.181 0.005 . 1 . . . . 13 GLU HA . 11005 1
90 . 1 1 13 13 GLU HB2 H 1 2.080 0.005 . 1 . . . . 13 GLU HB* . 11005 1
91 . 1 1 13 13 GLU HB3 H 1 2.080 0.005 . 1 . . . . 13 GLU HB* . 11005 1
92 . 1 1 13 13 GLU HG2 H 1 2.400 0.005 . 2 . . . . 13 GLU HG* . 11005 1
93 . 1 1 13 13 GLU HG3 H 1 2.292 0.005 . 2 . . . . 13 GLU HG* . 11005 1
94 . 1 1 14 14 ALA H H 1 8.113 0.005 . 1 . . . . 14 ALA H . 11005 1
95 . 1 1 14 14 ALA HA H 1 4.117 0.005 . 1 . . . . 14 ALA HA . 11005 1
96 . 1 1 14 14 ALA HB1 H 1 1.446 0.005 . 1 . . . . 14 ALA HB . 11005 1
97 . 1 1 14 14 ALA HB2 H 1 1.446 0.005 . 1 . . . . 14 ALA HB . 11005 1
98 . 1 1 14 14 ALA HB3 H 1 1.446 0.005 . 1 . . . . 14 ALA HB . 11005 1
99 . 1 1 15 15 GLN H H 1 8.080 0.005 . 1 . . . . 15 GLN H . 11005 1
100 . 1 1 15 15 GLN HA H 1 4.114 0.005 . 1 . . . . 15 GLN HA . 11005 1
101 . 1 1 15 15 GLN HB2 H 1 2.082 0.005 . 1 . . . . 15 GLN HB* . 11005 1
102 . 1 1 15 15 GLN HB3 H 1 2.082 0.005 . 1 . . . . 15 GLN HB* . 11005 1
103 . 1 1 15 15 GLN HG2 H 1 2.454 0.005 . 2 . . . . 15 GLN HG* . 11005 1
104 . 1 1 15 15 GLN HG3 H 1 2.379 0.005 . 2 . . . . 15 GLN HG* . 11005 1
105 . 1 1 15 15 GLN HE21 H 1 7.560 0.005 . 2 . . . . 15 GLN HE2* . 11005 1
106 . 1 1 15 15 GLN HE22 H 1 6.924 0.005 . 2 . . . . 15 GLN HE2* . 11005 1
107 . 1 1 16 16 ALA H H 1 8.018 0.005 . 1 . . . . 16 ALA H . 11005 1
108 . 1 1 16 16 ALA HA H 1 4.187 0.005 . 1 . . . . 16 ALA HA . 11005 1
109 . 1 1 16 16 ALA HB1 H 1 1.435 0.005 . 1 . . . . 16 ALA HB . 11005 1
110 . 1 1 16 16 ALA HB2 H 1 1.435 0.005 . 1 . . . . 16 ALA HB . 11005 1
111 . 1 1 16 16 ALA HB3 H 1 1.435 0.005 . 1 . . . . 16 ALA HB . 11005 1
112 . 1 1 17 17 ARG H H 1 7.990 0.005 . 1 . . . . 17 ARG H . 11005 1
113 . 1 1 17 17 ARG HA H 1 4.199 0.005 . 1 . . . . 17 ARG HA . 11005 1
114 . 1 1 17 17 ARG HB2 H 1 1.838 0.005 . 1 . . . . 17 ARG HB* . 11005 1
115 . 1 1 17 17 ARG HB3 H 1 1.838 0.005 . 1 . . . . 17 ARG HB* . 11005 1
116 . 1 1 17 17 ARG HG2 H 1 1.710 0.005 . 2 . . . . 17 ARG HG* . 11005 1
117 . 1 1 17 17 ARG HG3 H 1 1.626 0.005 . 2 . . . . 17 ARG HG* . 11005 1
118 . 1 1 17 17 ARG HD2 H 1 3.176 0.005 . 1 . . . . 17 ARG HD* . 11005 1
119 . 1 1 17 17 ARG HD3 H 1 3.176 0.005 . 1 . . . . 17 ARG HD* . 11005 1
120 . 1 1 17 17 ARG HE H 1 7.332 0.005 . 1 . . . . 17 ARG HE . 11005 1
121 . 1 1 17 17 ARG HH11 H 1 6.930 0.005 . 4 . . . . 17 ARG HH* . 11005 1
122 . 1 1 17 17 ARG HH12 H 1 6.930 0.005 . 4 . . . . 17 ARG HH* . 11005 1
123 . 1 1 17 17 ARG HH21 H 1 6.492 0.005 . 4 . . . . 17 ARG HH* . 11005 1
124 . 1 1 17 17 ARG HH22 H 1 6.492 0.005 . 4 . . . . 17 ARG HH* . 11005 1
125 . 1 1 18 18 ALA H H 1 7.917 0.005 . 1 . . . . 18 ALA H . 11005 1
126 . 1 1 18 18 ALA HA H 1 4.187 0.005 . 1 . . . . 18 ALA HA . 11005 1
127 . 1 1 18 18 ALA HB1 H 1 1.404 0.005 . 1 . . . . 18 ALA HB . 11005 1
128 . 1 1 18 18 ALA HB2 H 1 1.404 0.005 . 1 . . . . 18 ALA HB . 11005 1
129 . 1 1 18 18 ALA HB3 H 1 1.404 0.005 . 1 . . . . 18 ALA HB . 11005 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 44 11005 1
1 45 11005 1
1 46 11005 1
1 47 11005 1
2 121 11005 1
2 122 11005 1
2 123 11005 1
2 124 11005 1
stop_
save_