Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50019
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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' . . . 50019 1
2 '2D 1H-1H NOESY' . . . 50019 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 ASN H H 1 7.374 0.020 . 1 . . . . . 1 ASN H . 50019 1
2 . 1 . 1 1 1 ASN HA H 1 4.691 0.020 . 1 . . . . . 1 ASN HA . 50019 1
3 . 1 . 1 1 1 ASN HB2 H 1 3.196 0.020 . . . . . . . 1 ASN HB2 . 50019 1
4 . 1 . 1 1 1 ASN HB3 H 1 3.196 0.020 . . . . . . . 1 ASN HB3 . 50019 1
5 . 1 . 1 2 2 ALA H H 1 9.294 0.020 . 1 . . . . . 2 ALA H . 50019 1
6 . 1 . 1 2 2 ALA HA H 1 4.158 0.020 . 1 . . . . . 2 ALA HA . 50019 1
7 . 1 . 1 2 2 ALA HB1 H 1 1.455 0.020 . 1 . . . . . 2 ALA MB . 50019 1
8 . 1 . 1 2 2 ALA HB2 H 1 1.455 0.020 . 1 . . . . . 2 ALA MB . 50019 1
9 . 1 . 1 2 2 ALA HB3 H 1 1.455 0.020 . 1 . . . . . 2 ALA MB . 50019 1
10 . 1 . 1 3 3 VAL H H 1 8.088 0.020 . 1 . . . . . 3 VAL H . 50019 1
11 . 1 . 1 3 3 VAL HA H 1 3.732 0.020 . 1 . . . . . 3 VAL HA . 50019 1
12 . 1 . 1 3 3 VAL HB H 1 2.136 0.020 . 1 . . . . . 3 VAL HB . 50019 1
13 . 1 . 1 3 3 VAL HG11 H 1 1.024 0.020 . . . . . . . 3 VAL MG1 . 50019 1
14 . 1 . 1 3 3 VAL HG12 H 1 1.024 0.020 . . . . . . . 3 VAL MG1 . 50019 1
15 . 1 . 1 3 3 VAL HG13 H 1 1.024 0.020 . . . . . . . 3 VAL MG1 . 50019 1
16 . 1 . 1 3 3 VAL HG21 H 1 0.956 0.020 . . . . . . . 3 VAL MG2 . 50019 1
17 . 1 . 1 3 3 VAL HG22 H 1 0.956 0.020 . . . . . . . 3 VAL MG2 . 50019 1
18 . 1 . 1 3 3 VAL HG23 H 1 0.956 0.020 . . . . . . . 3 VAL MG2 . 50019 1
19 . 1 . 1 4 4 GLU H H 1 7.869 0.020 . 1 . . . . . 4 GLU H . 50019 1
20 . 1 . 1 4 4 GLU HA H 1 4.061 0.020 . 1 . . . . . 4 GLU HA . 50019 1
21 . 1 . 1 4 4 GLU HB2 H 1 2.078 0.020 . . . . . . . 4 GLU HB2 . 50019 1
22 . 1 . 1 4 4 GLU HB3 H 1 2.078 0.020 . . . . . . . 4 GLU HB3 . 50019 1
23 . 1 . 1 4 4 GLU HG2 H 1 2.391 0.020 . . . . . . . 4 GLU HG2 . 50019 1
24 . 1 . 1 4 4 GLU HG3 H 1 2.346 0.020 . . . . . . . 4 GLU HG3 . 50019 1
25 . 1 . 1 5 5 VAL H H 1 7.714 0.020 . 1 . . . . . 5 VAL H . 50019 1
26 . 1 . 1 5 5 VAL HA H 1 3.791 0.020 . 1 . . . . . 5 VAL HA . 50019 1
27 . 1 . 1 5 5 VAL HB H 1 2.162 0.020 . 1 . . . . . 5 VAL HB . 50019 1
28 . 1 . 1 5 5 VAL HG11 H 1 0.943 0.020 . . . . . . . 5 VAL MG1 . 50019 1
29 . 1 . 1 5 5 VAL HG12 H 1 0.943 0.020 . . . . . . . 5 VAL MG1 . 50019 1
30 . 1 . 1 5 5 VAL HG13 H 1 0.943 0.020 . . . . . . . 5 VAL MG1 . 50019 1
31 . 1 . 1 5 5 VAL HG21 H 1 1.036 0.020 . . . . . . . 5 VAL MG2 . 50019 1
32 . 1 . 1 5 5 VAL HG22 H 1 1.036 0.020 . . . . . . . 5 VAL MG2 . 50019 1
33 . 1 . 1 5 5 VAL HG23 H 1 1.036 0.020 . . . . . . . 5 VAL MG2 . 50019 1
34 . 1 . 1 6 6 LEU H H 1 7.977 0.020 . 1 . . . . . 6 LEU H . 50019 1
35 . 1 . 1 6 6 LEU HA H 1 4.020 0.020 . 1 . . . . . 6 LEU HA . 50019 1
36 . 1 . 1 6 6 LEU HB2 H 1 1.783 0.020 . . . . . . . 6 LEU HB2 . 50019 1
37 . 1 . 1 6 6 LEU HB3 H 1 1.783 0.020 . . . . . . . 6 LEU HB3 . 50019 1
38 . 1 . 1 6 6 LEU HG H 1 1.588 0.020 . 1 . . . . . 6 LEU HG . 50019 1
39 . 1 . 1 6 6 LEU HD11 H 1 0.919 0.020 . . . . . . . 6 LEU MD1 . 50019 1
40 . 1 . 1 6 6 LEU HD12 H 1 0.919 0.020 . . . . . . . 6 LEU MD1 . 50019 1
41 . 1 . 1 6 6 LEU HD13 H 1 0.919 0.020 . . . . . . . 6 LEU MD1 . 50019 1
42 . 1 . 1 6 6 LEU HD21 H 1 0.875 0.020 . . . . . . . 6 LEU MD2 . 50019 1
43 . 1 . 1 6 6 LEU HD22 H 1 0.875 0.020 . . . . . . . 6 LEU MD2 . 50019 1
44 . 1 . 1 6 6 LEU HD23 H 1 0.875 0.020 . . . . . . . 6 LEU MD2 . 50019 1
45 . 1 . 1 7 7 LYS H H 1 7.899 0.020 . 1 . . . . . 7 LYS H . 50019 1
46 . 1 . 1 7 7 LYS HA H 1 4.117 0.020 . 1 . . . . . 7 LYS HA . 50019 1
47 . 1 . 1 7 7 LYS HB2 H 1 1.885 0.020 . . . . . . . 7 LYS HB2 . 50019 1
48 . 1 . 1 7 7 LYS HB3 H 1 1.833 0.020 . . . . . . . 7 LYS HB3 . 50019 1
49 . 1 . 1 7 7 LYS HG2 H 1 1.417 0.020 . . . . . . . 7 LYS HG2 . 50019 1
50 . 1 . 1 7 7 LYS HG3 H 1 1.417 0.020 . . . . . . . 7 LYS HG3 . 50019 1
51 . 1 . 1 7 7 LYS HD2 H 1 1.597 0.020 . . . . . . . 7 LYS HD2 . 50019 1
52 . 1 . 1 7 7 LYS HD3 H 1 1.597 0.020 . . . . . . . 7 LYS HD3 . 50019 1
53 . 1 . 1 7 7 LYS HE2 H 1 2.915 0.020 . . . . . . . 7 LYS HE2 . 50019 1
54 . 1 . 1 7 7 LYS HE3 H 1 2.915 0.020 . . . . . . . 7 LYS HE3 . 50019 1
55 . 1 . 1 7 7 LYS HZ1 H 1 7.687 0.020 . 1 . . . . . 7 LYS QZ . 50019 1
56 . 1 . 1 7 7 LYS HZ2 H 1 7.687 0.020 . 1 . . . . . 7 LYS QZ . 50019 1
57 . 1 . 1 7 7 LYS HZ3 H 1 7.687 0.020 . 1 . . . . . 7 LYS QZ . 50019 1
58 . 1 . 1 8 8 ARG H H 1 7.664 0.020 . 1 . . . . . 8 ARG H . 50019 1
59 . 1 . 1 8 8 ARG HA H 1 4.351 0.020 . 1 . . . . . 8 ARG HA . 50019 1
60 . 1 . 1 8 8 ARG HB2 H 1 1.925 0.020 . . . . . . . 8 ARG HB2 . 50019 1
61 . 1 . 1 8 8 ARG HB3 H 1 1.861 0.020 . . . . . . . 8 ARG HB3 . 50019 1
62 . 1 . 1 8 8 ARG HG2 H 1 1.744 0.020 . . . . . . . 8 ARG HG2 . 50019 1
63 . 1 . 1 8 8 ARG HG3 H 1 1.689 0.020 . . . . . . . 8 ARG HG3 . 50019 1
64 . 1 . 1 8 8 ARG HD2 H 1 3.193 0.020 . . . . . . . 8 ARG HD2 . 50019 1
65 . 1 . 1 8 8 ARG HD3 H 1 3.194 0.020 . . . . . . . 8 ARG HD3 . 50019 1
66 . 1 . 1 8 8 ARG HE H 1 7.374 0.020 . 1 . . . . . 8 ARG HE . 50019 1
67 . 1 . 1 9 9 GLU H H 1 8.008 0.020 . 1 . . . . . 9 GLU H . 50019 1
68 . 1 . 1 9 9 GLU HA H 1 4.623 0.020 . 1 . . . . . 9 GLU HA . 50019 1
69 . 1 . 1 9 9 GLU HB2 H 1 2.089 0.020 . . . . . . . 9 GLU HB2 . 50019 1
70 . 1 . 1 9 9 GLU HB3 H 1 2.089 0.020 . . . . . . . 9 GLU HB3 . 50019 1
71 . 1 . 1 9 9 GLU HG2 H 1 2.387 0.020 . . . . . . . 9 GLU HG2 . 50019 1
72 . 1 . 1 9 9 GLU HG3 H 1 2.387 0.020 . . . . . . . 9 GLU HG3 . 50019 1
73 . 1 . 1 10 10 PRO HA H 1 4.016 0.020 . . . . . . . 10 PRO HA . 50019 1
74 . 1 . 1 10 10 PRO HG2 H 1 2.011 0.020 . . . . . . . 10 PRO HG2 . 50019 1
75 . 1 . 1 10 10 PRO HG3 H 1 2.082 0.020 . . . . . . . 10 PRO HG3 . 50019 1
76 . 1 . 1 10 10 PRO HD2 H 1 3.779 0.020 . . . . . . . 10 PRO HD2 . 50019 1
77 . 1 . 1 10 10 PRO HD3 H 1 3.689 0.020 . . . . . . . 10 PRO HD3 . 50019 1
78 . 1 . 1 11 11 LEU H H 1 8.153 0.020 . 1 . . . . . 11 LEU H . 50019 1
79 . 1 . 1 11 11 LEU HA H 1 4.093 0.020 . 1 . . . . . 11 LEU HA . 50019 1
80 . 1 . 1 11 11 LEU HB2 H 1 1.737 0.020 . . . . . . . 11 LEU HB2 . 50019 1
81 . 1 . 1 11 11 LEU HB3 H 1 1.575 0.020 . . . . . . . 11 LEU HB3 . 50019 1
82 . 1 . 1 11 11 LEU HD11 H 1 0.953 0.020 . . . . . . . 11 LEU MD1 . 50019 1
83 . 1 . 1 11 11 LEU HD12 H 1 0.953 0.020 . . . . . . . 11 LEU MD1 . 50019 1
84 . 1 . 1 11 11 LEU HD13 H 1 0.953 0.020 . . . . . . . 11 LEU MD1 . 50019 1
85 . 1 . 1 11 11 LEU HD21 H 1 0.879 0.020 . . . . . . . 11 LEU MD2 . 50019 1
86 . 1 . 1 11 11 LEU HD22 H 1 0.879 0.020 . . . . . . . 11 LEU MD2 . 50019 1
87 . 1 . 1 11 11 LEU HD23 H 1 0.879 0.020 . . . . . . . 11 LEU MD2 . 50019 1
88 . 1 . 1 12 12 ASN H H 1 8.162 0.020 . 1 . . . . . 12 ASN H . 50019 1
89 . 1 . 1 12 12 ASN HA H 1 4.541 0.020 . 1 . . . . . 12 ASN HA . 50019 1
90 . 1 . 1 12 12 ASN HB2 H 1 2.718 0.020 . . . . . . . 12 ASN HB2 . 50019 1
91 . 1 . 1 12 12 ASN HB3 H 1 2.660 0.020 . . . . . . . 12 ASN HB3 . 50019 1
92 . 1 . 1 12 12 ASN HD21 H 1 7.468 0.020 . . . . . . . 12 ASN HD21 . 50019 1
93 . 1 . 1 12 12 ASN HD22 H 1 7.466 0.020 . . . . . . . 12 ASN HD22 . 50019 1
94 . 1 . 1 13 13 TYR H H 1 7.684 0.020 . 1 . . . . . 13 TYR H . 50019 1
95 . 1 . 1 13 13 TYR HA H 1 4.464 0.020 . 1 . . . . . 13 TYR HA . 50019 1
96 . 1 . 1 13 13 TYR HB2 H 1 3.091 0.020 . . . . . . . 13 TYR HB2 . 50019 1
97 . 1 . 1 13 13 TYR HB3 H 1 2.918 0.020 . . . . . . . 13 TYR HB3 . 50019 1
98 . 1 . 1 13 13 TYR HD1 H 1 7.096 0.020 . . . . . . . 13 TYR HD1 . 50019 1
99 . 1 . 1 13 13 TYR HD2 H 1 7.096 0.020 . . . . . . . 13 TYR HD2 . 50019 1
100 . 1 . 1 13 13 TYR HE1 H 1 6.820 0.020 . . . . . . . 13 TYR HE1 . 50019 1
101 . 1 . 1 13 13 TYR HE2 H 1 6.820 0.020 . . . . . . . 13 TYR HE2 . 50019 1
102 . 1 . 1 14 14 LEU H H 1 7.624 0.020 . 1 . . . . . 14 LEU H . 50019 1
103 . 1 . 1 14 14 LEU HA H 1 4.583 0.020 . 1 . . . . . 14 LEU HA . 50019 1
104 . 1 . 1 14 14 LEU HB2 H 1 1.746 0.020 . . . . . . . 14 LEU HB2 . 50019 1
105 . 1 . 1 14 14 LEU HB3 H 1 1.746 0.020 . . . . . . . 14 LEU HB3 . 50019 1
106 . 1 . 1 14 14 LEU HG H 1 1.418 0.020 . 1 . . . . . 14 LEU HG . 50019 1
107 . 1 . 1 14 14 LEU HD11 H 1 0.949 0.020 . . . . . . . 14 LEU MD1 . 50019 1
108 . 1 . 1 14 14 LEU HD12 H 1 0.949 0.020 . . . . . . . 14 LEU MD1 . 50019 1
109 . 1 . 1 14 14 LEU HD13 H 1 0.949 0.020 . . . . . . . 14 LEU MD1 . 50019 1
110 . 1 . 1 14 14 LEU HD21 H 1 0.918 0.020 . . . . . . . 14 LEU MD2 . 50019 1
111 . 1 . 1 14 14 LEU HD22 H 1 0.918 0.020 . . . . . . . 14 LEU MD2 . 50019 1
112 . 1 . 1 14 14 LEU HD23 H 1 0.918 0.020 . . . . . . . 14 LEU MD2 . 50019 1
113 . 1 . 1 15 15 PRO HA H 1 4.669 0.020 . . . . . . . 15 PRO HA . 50019 1
114 . 1 . 1 15 15 PRO HB2 H 1 2.208 0.020 . . . . . . . 15 PRO HB2 . 50019 1
115 . 1 . 1 15 15 PRO HB3 H 1 2.202 0.020 . . . . . . . 15 PRO HB3 . 50019 1
116 . 1 . 1 15 15 PRO HG2 H 1 1.966 0.020 . . . . . . . 15 PRO HG2 . 50019 1
117 . 1 . 1 15 15 PRO HG3 H 1 2.051 0.020 . . . . . . . 15 PRO HG3 . 50019 1
118 . 1 . 1 15 15 PRO HD2 H 1 3.807 0.020 . . . . . . . 15 PRO HD2 . 50019 1
119 . 1 . 1 15 15 PRO HD3 H 1 3.442 0.020 . . . . . . . 15 PRO HD3 . 50019 1
120 . 1 . 1 16 16 LEU H H 1 7.531 0.020 . 1 . . . . . 16 LEU H . 50019 1
121 . 1 . 1 16 16 LEU HA H 1 4.302 0.020 . 1 . . . . . 16 LEU HA . 50019 1
122 . 1 . 1 16 16 LEU HB2 H 1 1.591 0.020 . . . . . . . 16 LEU HB2 . 50019 1
123 . 1 . 1 16 16 LEU HB3 H 1 1.583 0.020 . . . . . . . 16 LEU HB3 . 50019 1
124 . 1 . 1 16 16 LEU HG H 1 1.590 0.020 . 1 . . . . . 16 LEU HG . 50019 1
125 . 1 . 1 16 16 LEU HD11 H 1 0.914 0.020 . . . . . . . 16 LEU MD1 . 50019 1
126 . 1 . 1 16 16 LEU HD12 H 1 0.914 0.020 . . . . . . . 16 LEU MD1 . 50019 1
127 . 1 . 1 16 16 LEU HD13 H 1 0.914 0.020 . . . . . . . 16 LEU MD1 . 50019 1
128 . 1 . 1 16 16 LEU HD21 H 1 0.876 0.020 . . . . . . . 16 LEU MD2 . 50019 1
129 . 1 . 1 16 16 LEU HD22 H 1 0.876 0.020 . . . . . . . 16 LEU MD2 . 50019 1
130 . 1 . 1 16 16 LEU HD23 H 1 0.876 0.020 . . . . . . . 16 LEU MD2 . 50019 1
stop_
save_