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 27479
_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-15N HSQC' . . . 27479 1
2 '2D 1H-13C HSQC' . . . 27479 1
3 '3D HCCH-TOCSY' . . . 27479 1
4 '3D HNCACB' . . . 27479 1
5 '3D HNCA' . . . 27479 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
1 $SPARKY . . 27479 1
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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 ZAE H12 H 1 2.572 0.00 . 1 . . . . . 1 ZAE H12 . 27479 1
2 . 1 1 1 1 ZAE HA H 1 3.982 0.01 . 1 . . . . . 1 ZAE HA . 27479 1
3 . 1 1 1 1 ZAE HB2 H 1 2.978 0.00 . 1 . . . . . 1 ZAE HB2 . 27479 1
4 . 1 1 1 1 ZAE HB3 H 1 3.253 0.00 . 1 . . . . . 1 ZAE HB3 . 27479 1
5 . 1 1 1 1 ZAE C10 C 13 34.758 0.01 . 1 . . . . . 1 ZAE C10 . 27479 1
6 . 1 1 1 1 ZAE CA C 13 66.007 0.00 . 1 . . . . . 1 ZAE CA . 27479 1
7 . 1 1 1 1 ZAE CB C 13 39.435 0.04 . 1 . . . . . 1 ZAE CB . 27479 1
8 . 1 1 2 2 ILE HA H 1 4.180 0.00 . 1 . . . . . 2 ILE HA . 27479 1
9 . 1 1 2 2 ILE HB H 1 1.891 0.00 . 1 . . . . . 2 ILE HB . 27479 1
10 . 1 1 2 2 ILE HG12 H 1 1.470 0.00 . 1 . . . . . 2 ILE HG12 . 27479 1
11 . 1 1 2 2 ILE HG13 H 1 1.198 0.00 . 1 . . . . . 2 ILE HG13 . 27479 1
12 . 1 1 2 2 ILE HG21 H 1 0.933 0.00 . 1 . . . . . 2 ILE HG22 . 27479 1
13 . 1 1 2 2 ILE HG22 H 1 0.933 0.00 . 1 . . . . . 2 ILE HG22 . 27479 1
14 . 1 1 2 2 ILE HG23 H 1 0.933 0.00 . 1 . . . . . 2 ILE HG22 . 27479 1
15 . 1 1 2 2 ILE HD11 H 1 0.859 0.00 . 1 . . . . . 2 ILE HD12 . 27479 1
16 . 1 1 2 2 ILE HD12 H 1 0.859 0.00 . 1 . . . . . 2 ILE HD12 . 27479 1
17 . 1 1 2 2 ILE HD13 H 1 0.859 0.00 . 1 . . . . . 2 ILE HD12 . 27479 1
18 . 1 1 2 2 ILE CA C 13 60.891 0.06 . 1 . . . . . 2 ILE CA . 27479 1
19 . 1 1 2 2 ILE CB C 13 38.458 0.09 . 1 . . . . . 2 ILE CB . 27479 1
20 . 1 1 2 2 ILE CG1 C 13 27.205 0.13 . 1 . . . . . 2 ILE CG1 . 27479 1
21 . 1 1 2 2 ILE CG2 C 13 17.591 0.03 . 1 . . . . . 2 ILE CG2 . 27479 1
22 . 1 1 2 2 ILE CD1 C 13 12.646 0.08 . 1 . . . . . 2 ILE CD1 . 27479 1
23 . 1 1 3 3 SER H H 1 8.389 0.00 . 1 . . . . . 3 SER H . 27479 1
24 . 1 1 3 3 SER HA H 1 4.435 0.00 . 1 . . . . . 3 SER HA . 27479 1
25 . 1 1 3 3 SER HB2 H 1 3.835 0.00 . 2 . . . . . 3 SER HB2 . 27479 1
26 . 1 1 3 3 SER HB3 H 1 3.835 0.00 . 2 . . . . . 3 SER HB3 . 27479 1
27 . 1 1 3 3 SER CA C 13 58.234 0.03 . 1 . . . . . 3 SER CA . 27479 1
28 . 1 1 3 3 SER CB C 13 63.952 0.03 . 1 . . . . . 3 SER CB . 27479 1
29 . 1 1 3 3 SER N N 15 119.929 0.00 . 1 . . . . . 3 SER N . 27479 1
30 . 1 1 4 4 DGN H H 1 8.378 0.00 . 1 . . . . . 4 DGN H . 27479 1
31 . 1 1 4 4 DGN HA H 1 4.379 0.00 . 1 . . . . . 4 DGN HA . 27479 1
32 . 1 1 4 4 DGN HB2 H 1 1.953 0.00 . 1 . . . . . 4 DGN HB2 . 27479 1
33 . 1 1 4 4 DGN HB3 H 1 2.078 0.00 . 1 . . . . . 4 DGN HB3 . 27479 1
34 . 1 1 4 4 DGN HG2 H 1 2.320 0.00 . 1 . . . . . 4 DGN HG2 . 27479 1
35 . 1 1 4 4 DGN HG3 H 1 2.332 0.00 . 1 . . . . . 4 DGN HG3 . 27479 1
36 . 1 1 4 4 DGN HE21 H 1 6.882 0.00 . 1 . . . . . 4 DGN HE21 . 27479 1
37 . 1 1 4 4 DGN HE22 H 1 7.557 0.00 . 1 . . . . . 4 DGN HE22 . 27479 1
38 . 1 1 4 4 DGN CA C 13 55.824 0.25 . 1 . . . . . 4 DGN CA . 27479 1
39 . 1 1 4 4 DGN CB C 13 29.620 0.05 . 1 . . . . . 4 DGN CB . 27479 1
40 . 1 1 4 4 DGN CG C 13 33.848 0.04 . 1 . . . . . 4 DGN CG . 27479 1
41 . 1 1 4 4 DGN N N 15 122.469 0.00 . 1 . . . . . 4 DGN N . 27479 1
42 . 1 1 4 4 DGN NE2 N 15 112.423 0.01 . 1 . . . . . 4 DGN NE2 . 27479 1
43 . 1 1 5 5 28J H H 1 8.173 0.00 . 1 . . . . . 5 28J H . 27479 1
44 . 1 1 5 5 28J HA H 1 4.306 0.00 . 1 . . . . . 5 28J HA . 27479 1
45 . 1 1 5 5 28J HB H 1 1.880 0.00 . 1 . . . . . 5 28J HB . 27479 1
46 . 1 1 5 5 28J HG12 H 1 1.187 0.00 . 1 . . . . . 5 28J HG12 . 27479 1
47 . 1 1 5 5 28J HG13 H 1 1.329 0.00 . 1 . . . . . 5 28J HG13 . 27479 1
48 . 1 1 5 5 28J HG22 H 1 0.880 0.00 . 1 . . . . . 5 28J HG22 . 27479 1
49 . 1 1 5 5 28J HD12 H 1 0.863 0.00 . 1 . . . . . 5 28J HD12 . 27479 1
50 . 1 1 5 5 28J CA C 13 60.495 0.04 . 1 . . . . . 5 28J CA . 27479 1
51 . 1 1 5 5 28J CB C 13 39.273 0.03 . 1 . . . . . 5 28J CB . 27479 1
52 . 1 1 5 5 28J CG1 C 13 28.272 0.02 . 1 . . . . . 5 28J CG1 . 27479 1
53 . 1 1 5 5 28J CG2 C 13 16.743 0.01 . 1 . . . . . 5 28J CG2 . 27479 1
54 . 1 1 5 5 28J CD1 C 13 13.391 0.03 . 1 . . . . . 5 28J CD1 . 27479 1
55 . 1 1 5 5 28J N N 15 120.555 0.00 . 1 . . . . . 5 28J N . 27479 1
56 . 1 1 6 6 ILE H H 1 8.321 0.00 . 1 . . . . . 6 ILE H . 27479 1
57 . 1 1 6 6 ILE HA H 1 4.190 0.00 . 1 . . . . . 6 ILE HA . 27479 1
58 . 1 1 6 6 ILE HB H 1 1.801 0.00 . 1 . . . . . 6 ILE HB . 27479 1
59 . 1 1 6 6 ILE HG12 H 1 1.155 0.01 . 1 . . . . . 6 ILE HG12 . 27479 1
60 . 1 1 6 6 ILE HG13 H 1 1.452 0.00 . 1 . . . . . 6 ILE HG13 . 27479 1
61 . 1 1 6 6 ILE HG21 H 1 0.889 0.00 . 1 . . . . . 6 ILE HG22 . 27479 1
62 . 1 1 6 6 ILE HG22 H 1 0.889 0.00 . 1 . . . . . 6 ILE HG22 . 27479 1
63 . 1 1 6 6 ILE HG23 H 1 0.889 0.00 . 1 . . . . . 6 ILE HG22 . 27479 1
64 . 1 1 6 6 ILE HD11 H 1 0.868 0.00 . 1 . . . . . 6 ILE HD12 . 27479 1
65 . 1 1 6 6 ILE HD12 H 1 0.868 0.00 . 1 . . . . . 6 ILE HD12 . 27479 1
66 . 1 1 6 6 ILE HD13 H 1 0.868 0.00 . 1 . . . . . 6 ILE HD12 . 27479 1
67 . 1 1 6 6 ILE CA C 13 60.975 0.04 . 1 . . . . . 6 ILE CA . 27479 1
68 . 1 1 6 6 ILE CB C 13 39.111 0.04 . 1 . . . . . 6 ILE CB . 27479 1
69 . 1 1 6 6 ILE CG1 C 13 27.464 0.01 . 1 . . . . . 6 ILE CG1 . 27479 1
70 . 1 1 6 6 ILE CG2 C 13 17.158 0.06 . 1 . . . . . 6 ILE CG2 . 27479 1
71 . 1 1 6 6 ILE CD1 C 13 12.649 0.05 . 1 . . . . . 6 ILE CD1 . 27479 1
72 . 1 1 6 6 ILE N N 15 123.485 0.00 . 1 . . . . . 6 ILE N . 27479 1
73 . 1 1 7 7 SER H H 1 8.703 0.00 . 1 . . . . . 7 SER H . 27479 1
74 . 1 1 7 7 SER HA H 1 4.475 0.00 . 1 . . . . . 7 SER HA . 27479 1
75 . 1 1 7 7 SER HB2 H 1 3.913 0.00 . 1 . . . . . 7 SER HB2 . 27479 1
76 . 1 1 7 7 SER HB3 H 1 3.958 0.00 . 1 . . . . . 7 SER HB3 . 27479 1
77 . 1 1 7 7 SER CA C 13 59.297 0.06 . 1 . . . . . 7 SER CA . 27479 1
78 . 1 1 7 7 SER CB C 13 63.452 0.06 . 1 . . . . . 7 SER CB . 27479 1
79 . 1 1 7 7 SER N N 15 121.907 0.00 . 1 . . . . . 7 SER N . 27479 1
80 . 1 1 8 8 DTH HB H 1 5.567 0.00 . 1 . . . . . 8 DTH HB . 27479 1
81 . 1 1 8 8 DTH HG22 H 1 1.279 0.00 . 1 . . . . . 8 DTH HG22 . 27479 1
82 . 1 1 8 8 DTH CA C 13 59.135 0.04 . 1 . . . . . 8 DTH CA . 27479 1
83 . 1 1 8 8 DTH CB C 13 74.768 0.01 . 1 . . . . . 8 DTH CB . 27479 1
84 . 1 1 8 8 DTH CG2 C 13 17.751 0.02 . 1 . . . . . 8 DTH CG2 . 27479 1
85 . 1 1 9 9 ALA H H 1 8.088 0.00 . 1 . . . . . 9 ALA H . 27479 1
86 . 1 1 9 9 ALA HA H 1 4.186 0.00 . 1 . . . . . 9 ALA HA . 27479 1
87 . 1 1 9 9 ALA HB1 H 1 1.462 0.00 . 1 . . . . . 9 ALA HB2 . 27479 1
88 . 1 1 9 9 ALA HB2 H 1 1.462 0.00 . 1 . . . . . 9 ALA HB2 . 27479 1
89 . 1 1 9 9 ALA HB3 H 1 1.462 0.00 . 1 . . . . . 9 ALA HB2 . 27479 1
90 . 1 1 9 9 ALA CA C 13 55.226 0.02 . 1 . . . . . 9 ALA CA . 27479 1
91 . 1 1 9 9 ALA CB C 13 18.334 0.13 . 1 . . . . . 9 ALA CB . 27479 1
92 . 1 1 9 9 ALA N N 15 125.266 0.00 . 1 . . . . . 9 ALA N . 27479 1
93 . 1 1 10 10 XXX HA H 1 4.533 0.00 . 1 . . . . . 10 XXX HA . 27479 1
94 . 1 1 10 10 XXX HB2 H 1 2.065 0.00 . 1 . . . . . 10 XXX HB2 . 27479 1
95 . 1 1 10 10 XXX HB3 H 1 2.143 0.00 . 1 . . . . . 10 XXX HB3 . 27479 1
96 . 1 1 10 10 XXX HG H 1 4.131 0.00 . 1 . . . . . 10 XXX HG . 27479 1
97 . 1 1 10 10 XXX HD1 H 1 3.438 0.00 . 1 . . . . . 10 XXX HD1 . 27479 1
98 . 1 1 10 10 XXX HD2 H 1 3.863 0.00 . 1 . . . . . 10 XXX HD2 . 27479 1
99 . 1 1 10 10 XXX CA C 13 54.626 0.05 . 1 . . . . . 10 XXX CA . 27479 1
100 . 1 1 10 10 XXX CB C 13 38.653 0.05 . 1 . . . . . 10 XXX CB . 27479 1
101 . 1 1 10 10 XXX CG C 13 55.327 0.00 . 1 . . . . . 10 XXX CG . 27479 1
102 . 1 1 10 10 XXX CD C 13 50.670 0.03 . 1 . . . . . 10 XXX CD . 27479 1
103 . 1 1 11 11 ILE HA H 1 3.938 0.00 . 1 . . . . . 11 ILE HA . 27479 1
104 . 1 1 11 11 ILE HB H 1 1.543 0.00 . 1 . . . . . 11 ILE HB . 27479 1
105 . 1 1 11 11 ILE HG12 H 1 0.924 0.00 . 1 . . . . . 11 ILE HG12 . 27479 1
106 . 1 1 11 11 ILE HG13 H 1 0.719 0.00 . 1 . . . . . 11 ILE HG13 . 27479 1
107 . 1 1 11 11 ILE HG21 H 1 0.662 0.00 . 1 . . . . . 11 ILE HG22 . 27479 1
108 . 1 1 11 11 ILE HG22 H 1 0.662 0.00 . 1 . . . . . 11 ILE HG22 . 27479 1
109 . 1 1 11 11 ILE HG23 H 1 0.662 0.00 . 1 . . . . . 11 ILE HG22 . 27479 1
110 . 1 1 11 11 ILE HD11 H 1 0.675 0.00 . 1 . . . . . 11 ILE HD12 . 27479 1
111 . 1 1 11 11 ILE HD12 H 1 0.675 0.00 . 1 . . . . . 11 ILE HD12 . 27479 1
112 . 1 1 11 11 ILE HD13 H 1 0.675 0.00 . 1 . . . . . 11 ILE HD12 . 27479 1
113 . 1 1 11 11 ILE CA C 13 61.402 0.03 . 1 . . . . . 11 ILE CA . 27479 1
114 . 1 1 11 11 ILE CB C 13 38.484 0.03 . 1 . . . . . 11 ILE CB . 27479 1
115 . 1 1 11 11 ILE CG1 C 13 26.989 0.05 . 1 . . . . . 11 ILE CG1 . 27479 1
116 . 1 1 11 11 ILE CG2 C 13 17.273 0.02 . 1 . . . . . 11 ILE CG2 . 27479 1
117 . 1 1 11 11 ILE CD1 C 13 12.818 0.02 . 1 . . . . . 11 ILE CD1 . 27479 1
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save_