Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7213
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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_1 isotropic 7213 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 ILE HA H 1 4.21 0.02 . 1 . . . . 1 ILE HA . 7213 1
2 . 1 1 1 1 ILE HB H 1 2.04 0.02 . 1 . . . . 1 ILE HB . 7213 1
3 . 1 1 1 1 ILE HG12 H 1 1.19 0.02 . 1 . . . . 1 ILE HG12 . 7213 1
4 . 1 1 1 1 ILE HG13 H 1 1.50 0.02 . 1 . . . . 1 ILE HG13 . 7213 1
5 . 1 1 1 1 ILE HG21 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1
6 . 1 1 1 1 ILE HG22 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1
7 . 1 1 1 1 ILE HG23 H 1 1.07 0.02 . 1 . . . . 1 ILE HG2 . 7213 1
8 . 1 1 1 1 ILE HD11 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1
9 . 1 1 1 1 ILE HD12 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1
10 . 1 1 1 1 ILE HD13 H 1 0.91 0.02 . 1 . . . . 1 ILE HD1 . 7213 1
11 . 1 1 2 2 PRO HA H 1 4.51 0.02 . 1 . . . . 2 PRO HA . 7213 1
12 . 1 1 2 2 PRO HB2 H 1 1.89 0.02 . 2 . . . . 2 PRO HB2 . 7213 1
13 . 1 1 2 2 PRO HB3 H 1 2.35 0.02 . 2 . . . . 2 PRO HB3 . 7213 1
14 . 1 1 2 2 PRO HG3 H 1 2.02 0.02 . 1 . . . . 2 PRO HG3 . 7213 1
15 . 1 1 2 2 PRO HD2 H 1 3.59 0.02 . 2 . . . . 2 PRO HD2 . 7213 1
16 . 1 1 2 2 PRO HD3 H 1 3.78 0.02 . 2 . . . . 2 PRO HD3 . 7213 1
17 . 1 1 3 3 SER H H 1 8.72 0.02 . 1 . . . . 3 SER H . 7213 1
18 . 1 1 3 3 SER HA H 1 4.51 0.02 . 1 . . . . 3 SER HA . 7213 1
19 . 1 1 3 3 SER HB2 H 1 3.86 0.02 . 2 . . . . 3 SER HB2 . 7213 1
20 . 1 1 3 3 SER HB3 H 1 3.94 0.02 . 2 . . . . 3 SER HB3 . 7213 1
21 . 1 1 4 4 THR H H 1 8.30 0.02 . 1 . . . . 4 THR H . 7213 1
22 . 1 1 4 4 THR HA H 1 4.35 0.02 . 1 . . . . 4 THR HA . 7213 1
23 . 1 1 4 4 THR HB H 1 4.27 0.02 . 1 . . . . 4 THR HB . 7213 1
24 . 1 1 4 4 THR HG21 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1
25 . 1 1 4 4 THR HG22 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1
26 . 1 1 4 4 THR HG23 H 1 1.18 0.02 . 1 . . . . 4 THR HG2 . 7213 1
27 . 1 1 5 5 ALA H H 1 8.37 0.02 . 1 . . . . 5 ALA H . 7213 1
28 . 1 1 5 5 ALA HA H 1 4.34 0.02 . 1 . . . . 5 ALA HA . 7213 1
29 . 1 1 5 5 ALA HB1 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1
30 . 1 1 5 5 ALA HB2 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1
31 . 1 1 5 5 ALA HB3 H 1 1.36 0.02 . 1 . . . . 5 ALA HB . 7213 1
32 . 1 1 6 6 CYS H H 1 8.51 0.02 . 1 . . . . 6 CYS H . 7213 1
33 . 1 1 6 6 CYS HA H 1 4.61 0.02 . 1 . . . . 6 CYS HA . 7213 1
34 . 1 1 6 6 CYS HB2 H 1 2.99 0.02 . 2 . . . . 6 CYS HB2 . 7213 1
35 . 1 1 6 6 CYS HB3 H 1 3.18 0.02 . 2 . . . . 6 CYS HB3 . 7213 1
36 . 1 1 7 7 THR H H 1 8.13 0.02 . 1 . . . . 7 THR H . 7213 1
37 . 1 1 7 7 THR HA H 1 4.35 0.02 . 1 . . . . 7 THR HA . 7213 1
38 . 1 1 7 7 THR HB H 1 4.26 0.02 . 1 . . . . 7 THR HB . 7213 1
39 . 1 1 7 7 THR HG21 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1
40 . 1 1 7 7 THR HG22 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1
41 . 1 1 7 7 THR HG23 H 1 1.18 0.02 . 1 . . . . 7 THR HG2 . 7213 1
42 . 1 1 8 8 ASP H H 1 8.31 0.02 . 1 . . . . 8 ASP H . 7213 1
43 . 1 1 8 8 ASP HA H 1 4.62 0.02 . 1 . . . . 8 ASP HA . 7213 1
44 . 1 1 8 8 ASP HB2 H 1 2.69 0.02 . 2 . . . . 8 ASP HB2 . 7213 1
45 . 1 1 8 8 ASP HB3 H 1 2.74 0.02 . 2 . . . . 8 ASP HB3 . 7213 1
46 . 1 1 9 9 ILE H H 1 8.19 0.02 . 1 . . . . 9 ILE H . 7213 1
47 . 1 1 9 9 ILE HA H 1 4.05 0.02 . 1 . . . . 9 ILE HA . 7213 1
48 . 1 1 9 9 ILE HB H 1 1.82 0.02 . 1 . . . . 9 ILE HB . 7213 1
49 . 1 1 9 9 ILE HG12 H 1 1.18 0.02 . 1 . . . . 9 ILE HG12 . 7213 1
50 . 1 1 9 9 ILE HG13 H 1 1.41 0.02 . 1 . . . . 9 ILE HG13 . 7213 1
51 . 1 1 9 9 ILE HG21 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1
52 . 1 1 9 9 ILE HG22 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1
53 . 1 1 9 9 ILE HG23 H 1 0.79 0.02 . 1 . . . . 9 ILE HG2 . 7213 1
54 . 1 1 9 9 ILE HD11 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1
55 . 1 1 9 9 ILE HD12 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1
56 . 1 1 9 9 ILE HD13 H 1 0.86 0.02 . 1 . . . . 9 ILE HD1 . 7213 1
57 . 1 1 10 10 ALA H H 1 8.44 0.02 . 1 . . . . 10 ALA H . 7213 1
58 . 1 1 10 10 ALA HA H 1 4.10 0.02 . 1 . . . . 10 ALA HA . 7213 1
59 . 1 1 10 10 ALA HB1 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1
60 . 1 1 10 10 ALA HB2 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1
61 . 1 1 10 10 ALA HB3 H 1 1.18 0.02 . 1 . . . . 10 ALA HB . 7213 1
62 . 1 1 11 11 TRP H H 1 7.82 0.02 . 1 . . . . 11 TRP H . 7213 1
63 . 1 1 11 11 TRP HA H 1 4.67 0.02 . 1 . . . . 11 TRP HA . 7213 1
64 . 1 1 11 11 TRP HB2 H 1 3.33 0.02 . 2 . . . . 11 TRP HB2 . 7213 1
65 . 1 1 11 11 TRP HB3 H 1 3.45 0.02 . 2 . . . . 11 TRP HB3 . 7213 1
66 . 1 1 11 11 TRP HD1 H 1 7.24 0.02 . 1 . . . . 11 TRP HD1 . 7213 1
67 . 1 1 11 11 TRP HE1 H 1 10.20 0.02 . 1 . . . . 11 TRP HE1 . 7213 1
68 . 1 1 11 11 TRP HE3 H 1 7.58 0.02 . 1 . . . . 11 TRP HE3 . 7213 1
69 . 1 1 11 11 TRP HZ2 H 1 7.48 0.02 . 1 . . . . 11 TRP HZ2 . 7213 1
70 . 1 1 11 11 TRP HZ3 H 1 7.13 0.02 . 1 . . . . 11 TRP HZ3 . 7213 1
71 . 1 1 11 11 TRP HH2 H 1 7.22 0.02 . 1 . . . . 11 TRP HH2 . 7213 1
72 . 1 1 12 12 VAL H H 1 7.57 0.02 . 1 . . . . 12 VAL H . 7213 1
73 . 1 1 12 12 VAL HA H 1 3.88 0.02 . 1 . . . . 12 VAL HA . 7213 1
74 . 1 1 12 12 VAL HB H 1 2.02 0.02 . 1 . . . . 12 VAL HB . 7213 1
75 . 1 1 12 12 VAL HG11 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1
76 . 1 1 12 12 VAL HG12 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1
77 . 1 1 12 12 VAL HG13 H 1 0.81 0.02 . 1 . . . . 12 VAL HG1 . 7213 1
78 . 1 1 12 12 VAL HG21 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1
79 . 1 1 12 12 VAL HG22 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1
80 . 1 1 12 12 VAL HG23 H 1 0.88 0.02 . 1 . . . . 12 VAL HG2 . 7213 1
81 . 1 1 13 13 ARG H H 1 8.31 0.02 . 1 . . . . 13 ARG H . 7213 1
82 . 1 1 13 13 ARG HA H 1 4.26 0.02 . 1 . . . . 13 ARG HA . 7213 1
83 . 1 1 13 13 ARG HB2 H 1 1.75 0.02 . 2 . . . . 13 ARG HB2 . 7213 1
84 . 1 1 13 13 ARG HB3 H 1 1.89 0.02 . 2 . . . . 13 ARG HB3 . 7213 1
85 . 1 1 13 13 ARG HG3 H 1 1.63 0.02 . 2 . . . . 13 ARG HG3 . 7213 1
86 . 1 1 13 13 ARG HD3 H 1 3.17 0.02 . 1 . . . . 13 ARG HD3 . 7213 1
87 . 1 1 13 13 ARG HE H 1 7.27 0.02 . 1 . . . . 13 ARG HE . 7213 1
88 . 1 1 14 14 LEU H H 1 8.06 0.02 . 1 . . . . 14 LEU H . 7213 1
89 . 1 1 14 14 LEU HA H 1 4.72 0.02 . 1 . . . . 14 LEU HA . 7213 1
90 . 1 1 14 14 LEU HB3 H 1 1.67 0.02 . 1 . . . . 14 LEU HB3 . 7213 1
91 . 1 1 14 14 LEU HG H 1 1.61 0.02 . 1 . . . . 14 LEU HG . 7213 1
92 . 1 1 14 14 LEU HD11 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1
93 . 1 1 14 14 LEU HD12 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1
94 . 1 1 14 14 LEU HD13 H 1 0.89 0.02 . 1 . . . . 14 LEU HD1 . 7213 1
95 . 1 1 15 15 PRO HA H 1 4.35 0.02 . 1 . . . . 15 PRO HA . 7213 1
96 . 1 1 15 15 PRO HB2 H 1 1.81 0.02 . 2 . . . . 15 PRO HB2 . 7213 1
97 . 1 1 15 15 PRO HB3 H 1 2.25 0.02 . 2 . . . . 15 PRO HB3 . 7213 1
98 . 1 1 15 15 PRO HG3 H 1 1.98 0.02 . 1 . . . . 15 PRO HG3 . 7213 1
99 . 1 1 15 15 PRO HD2 H 1 3.63 0.02 . 2 . . . . 15 PRO HD2 . 7213 1
100 . 1 1 15 15 PRO HD3 H 1 3.78 0.02 . 2 . . . . 15 PRO HD3 . 7213 1
101 . 1 1 16 16 CYS H H 1 8.46 0.02 . 1 . . . . 16 CYS H . 7213 1
102 . 1 1 16 16 CYS HA H 1 4.46 0.02 . 1 . . . . 16 CYS HA . 7213 1
103 . 1 1 16 16 CYS HB2 H 1 2.97 0.02 . 2 . . . . 16 CYS HB2 . 7213 1
104 . 1 1 16 16 CYS HB3 H 1 3.03 0.02 . 2 . . . . 16 CYS HB3 . 7213 1
105 . 1 1 17 17 HIS H H 1 8.54 0.02 . 1 . . . . 17 HIS H . 7213 1
106 . 1 1 17 17 HIS HA H 1 4.61 0.02 . 1 . . . . 17 HIS HA . 7213 1
107 . 1 1 17 17 HIS HB3 H 1 3.14 0.02 . 1 . . . . 17 HIS HB3 . 7213 1
108 . 1 1 17 17 HIS HD2 H 1 7.11 0.02 . 1 . . . . 17 HIS HD2 . 7213 1
109 . 1 1 17 17 HIS HE1 H 1 8.52 0.02 . 1 . . . . 17 HIS HE1 . 7213 1
110 . 1 1 18 18 TYR H H 1 8.2 0.02 . 1 . . . . 18 TYR H . 7213 1
111 . 1 1 18 18 TYR HA H 1 4.48 0.02 . 1 . . . . 18 TYR HA . 7213 1
112 . 1 1 18 18 TYR HB2 H 1 2.88 0.02 . 2 . . . . 18 TYR HB2 . 7213 1
113 . 1 1 18 18 TYR HB3 H 1 3.05 0.02 . 2 . . . . 18 TYR HB3 . 7213 1
114 . 1 1 18 18 TYR HD1 H 1 7.12 0.02 . 1 . . . . 18 TYR HD1 . 7213 1
115 . 1 1 18 18 TYR HE1 H 1 6.81 0.02 . 1 . . . . 18 TYR HE1 . 7213 1
stop_
save_