Content for NMR-STAR saveframe, "assigned_chem_shift_list_3"
save_assigned_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 25366
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 0.01
_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 'Chemical shifts in 30 mM DPC-d38 in H2O/D2O 9:1 v/v at 308K'
_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
4 '2D 1H-1H COSY' 1 $sample_1 isotropic 25366 3
5 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25366 3
6 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25366 3
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 . . 25366 3
2 $TOPSPIN . . 25366 3
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_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 LYS HA H 1 4.00 0.01 . 1 . . . . 1 LYS HA . 25366 3
2 . 1 1 1 1 LYS HB2 H 1 1.86 0.01 . 2 . . . . 1 LYS HB2 . 25366 3
3 . 1 1 1 1 LYS HB3 H 1 1.86 0.01 . 2 . . . . 1 LYS HB3 . 25366 3
4 . 1 1 1 1 LYS HG2 H 1 1.42 0.01 . 2 . . . . 1 LYS HG2 . 25366 3
5 . 1 1 1 1 LYS HG3 H 1 1.42 0.01 . 2 . . . . 1 LYS HG3 . 25366 3
6 . 1 1 2 2 ARG HA H 1 4.32 0.01 . 1 . . . . 2 ARG HA . 25366 3
7 . 1 1 2 2 ARG HB2 H 1 1.69 0.01 . 2 . . . . 2 ARG HB2 . 25366 3
8 . 1 1 2 2 ARG HB3 H 1 1.69 0.01 . 2 . . . . 2 ARG HB3 . 25366 3
9 . 1 1 2 2 ARG HD2 H 1 3.12 0.01 . 2 . . . . 2 ARG HD2 . 25366 3
10 . 1 1 2 2 ARG HD3 H 1 3.12 0.01 . 2 . . . . 2 ARG HD3 . 25366 3
11 . 1 1 2 2 ARG HE H 1 7.29 0.01 . 1 . . . . 2 ARG HE . 25366 3
12 . 1 1 2 2 ARG HG2 H 1 1.49 0.01 . 2 . . . . 2 ARG HG2 . 25366 3
13 . 1 1 2 2 ARG HG3 H 1 1.57 0.01 . 2 . . . . 2 ARG HG3 . 25366 3
14 . 1 1 3 3 PHE H H 1 8.51 0.01 . 1 . . . . 3 PHE H . 25366 3
15 . 1 1 3 3 PHE HA H 1 4.54 0.01 . 1 . . . . 3 PHE HA . 25366 3
16 . 1 1 3 3 PHE HB2 H 1 3.12 0.01 . 2 . . . . 3 PHE HB2 . 25366 3
17 . 1 1 3 3 PHE HB3 H 1 3.12 0.01 . 2 . . . . 3 PHE HB3 . 25366 3
18 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . . 3 PHE HD1 . 25366 3
19 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . . 3 PHE HD2 . 25366 3
20 . 1 1 4 4 LYS H H 1 8.19 0.01 . 1 . . . . 4 LYS H . 25366 3
21 . 1 1 4 4 LYS HA H 1 4.11 0.01 . 1 . . . . 4 LYS HA . 25366 3
22 . 1 1 4 4 LYS HB2 H 1 1.78 0.01 . 2 . . . . 4 LYS HB2 . 25366 3
23 . 1 1 4 4 LYS HB3 H 1 1.78 0.01 . 2 . . . . 4 LYS HB3 . 25366 3
24 . 1 1 4 4 LYS HD2 H 1 1.70 0.01 . 2 . . . . 4 LYS HD2 . 25366 3
25 . 1 1 4 4 LYS HD3 H 1 1.70 0.01 . 2 . . . . 4 LYS HD3 . 25366 3
26 . 1 1 4 4 LYS HG2 H 1 1.36 0.01 . 2 . . . . 4 LYS HG2 . 25366 3
27 . 1 1 4 4 LYS HG3 H 1 1.44 0.01 . 2 . . . . 4 LYS HG3 . 25366 3
28 . 1 1 5 5 LYS H H 1 8.15 0.01 . 1 . . . . 5 LYS H . 25366 3
29 . 1 1 5 5 LYS HA H 1 4.11 0.01 . 1 . . . . 5 LYS HA . 25366 3
30 . 1 1 5 5 LYS HB2 H 1 1.73 0.01 . 2 . . . . 5 LYS HB2 . 25366 3
31 . 1 1 5 5 LYS HB3 H 1 1.73 0.01 . 2 . . . . 5 LYS HB3 . 25366 3
32 . 1 1 5 5 LYS HG2 H 1 1.28 0.01 . 2 . . . . 5 LYS HG2 . 25366 3
33 . 1 1 5 5 LYS HG3 H 1 1.35 0.01 . 2 . . . . 5 LYS HG3 . 25366 3
34 . 1 1 6 6 PHE H H 1 8.05 0.01 . 1 . . . . 6 PHE H . 25366 3
35 . 1 1 6 6 PHE HA H 1 4.44 0.01 . 1 . . . . 6 PHE HA . 25366 3
36 . 1 1 6 6 PHE HB2 H 1 3.03 0.01 . 2 . . . . 6 PHE HB2 . 25366 3
37 . 1 1 6 6 PHE HB3 H 1 3.08 0.01 . 2 . . . . 6 PHE HB3 . 25366 3
38 . 1 1 6 6 PHE HD1 H 1 7.12 0.01 . 3 . . . . 6 PHE HD1 . 25366 3
39 . 1 1 6 6 PHE HD2 H 1 7.12 0.01 . 3 . . . . 6 PHE HD2 . 25366 3
40 . 1 1 7 7 PHE H H 1 8.24 0.01 . 1 . . . . 7 PHE H . 25366 3
41 . 1 1 7 7 PHE HA H 1 4.35 0.01 . 1 . . . . 7 PHE HA . 25366 3
42 . 1 1 7 7 PHE HB2 H 1 3.02 0.01 . 2 . . . . 7 PHE HB2 . 25366 3
43 . 1 1 7 7 PHE HB3 H 1 3.12 0.01 . 2 . . . . 7 PHE HB3 . 25366 3
44 . 1 1 7 7 PHE HD1 H 1 7.24 0.01 . 3 . . . . 7 PHE HD1 . 25366 3
45 . 1 1 7 7 PHE HD2 H 1 7.24 0.01 . 3 . . . . 7 PHE HD2 . 25366 3
46 . 1 1 8 8 LYS H H 1 8.07 0.01 . 1 . . . . 8 LYS H . 25366 3
47 . 1 1 8 8 LYS HA H 1 4.06 0.01 . 1 . . . . 8 LYS HA . 25366 3
48 . 1 1 8 8 LYS HB2 H 1 1.81 0.01 . 2 . . . . 8 LYS HB2 . 25366 3
49 . 1 1 8 8 LYS HB3 H 1 1.81 0.01 . 2 . . . . 8 LYS HB3 . 25366 3
50 . 1 1 8 8 LYS HD2 H 1 1.69 0.01 . 2 . . . . 8 LYS HD2 . 25366 3
51 . 1 1 8 8 LYS HD3 H 1 1.69 0.01 . 2 . . . . 8 LYS HD3 . 25366 3
52 . 1 1 8 8 LYS HG2 H 1 1.40 0.01 . 2 . . . . 8 LYS HG2 . 25366 3
53 . 1 1 8 8 LYS HG3 H 1 1.51 0.01 . 2 . . . . 8 LYS HG3 . 25366 3
54 . 1 1 9 9 LYS H H 1 7.97 0.01 . 1 . . . . 9 LYS H . 25366 3
55 . 1 1 9 9 LYS HA H 1 4.20 0.01 . 1 . . . . 9 LYS HA . 25366 3
56 . 1 1 9 9 LYS HB2 H 1 1.83 0.01 . 2 . . . . 9 LYS HB2 . 25366 3
57 . 1 1 9 9 LYS HB3 H 1 1.83 0.01 . 2 . . . . 9 LYS HB3 . 25366 3
58 . 1 1 9 9 LYS HD2 H 1 1.70 0.01 . 2 . . . . 9 LYS HD2 . 25366 3
59 . 1 1 9 9 LYS HD3 H 1 1.70 0.01 . 2 . . . . 9 LYS HD3 . 25366 3
60 . 1 1 9 9 LYS HG2 H 1 1.41 0.01 . 2 . . . . 9 LYS HG2 . 25366 3
61 . 1 1 9 9 LYS HG3 H 1 1.48 0.01 . 2 . . . . 9 LYS HG3 . 25366 3
62 . 1 1 10 10 VAL H H 1 8.07 0.01 . 1 . . . . 10 VAL H . 25366 3
63 . 1 1 10 10 VAL HA H 1 3.85 0.01 . 1 . . . . 10 VAL HA . 25366 3
64 . 1 1 10 10 VAL HB H 1 2.02 0.01 . 1 . . . . 10 VAL HB . 25366 3
65 . 1 1 10 10 VAL HG11 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 3
66 . 1 1 10 10 VAL HG12 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 3
67 . 1 1 10 10 VAL HG13 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 3
68 . 1 1 10 10 VAL HG21 H 1 0.81 0.01 . 2 . . . . 10 VAL HG2 . 25366 3
69 . 1 1 10 10 VAL HG22 H 1 0.81 0.01 . 2 . . . . 10 VAL HG2 . 25366 3
70 . 1 1 10 10 VAL HG23 H 1 0.81 0.01 . 2 . . . . 10 VAL HG2 . 25366 3
71 . 1 1 11 11 LYS H H 1 8.25 0.01 . 1 . . . . 11 LYS H . 25366 3
72 . 1 1 11 11 LYS HA H 1 4.09 0.01 . 1 . . . . 11 LYS HA . 25366 3
73 . 1 1 11 11 LYS HB2 H 1 1.80 0.01 . 2 . . . . 11 LYS HB2 . 25366 3
74 . 1 1 11 11 LYS HB3 H 1 1.69 0.01 . 2 . . . . 11 LYS HB3 . 25366 3
75 . 1 1 11 11 LYS HG2 H 1 1.39 0.01 . 2 . . . . 11 LYS HG2 . 25366 3
76 . 1 1 11 11 LYS HG3 H 1 1.39 0.01 . 2 . . . . 11 LYS HG3 . 25366 3
77 . 1 1 12 12 LYS H H 1 8.05 0.01 . 1 . . . . 12 LYS H . 25366 3
78 . 1 1 12 12 LYS HA H 1 4.23 0.01 . 1 . . . . 12 LYS HA . 25366 3
79 . 1 1 12 12 LYS HB2 H 1 1.84 0.01 . 2 . . . . 12 LYS HB2 . 25366 3
80 . 1 1 12 12 LYS HB3 H 1 1.84 0.01 . 2 . . . . 12 LYS HB3 . 25366 3
81 . 1 1 12 12 LYS HG2 H 1 1.47 0.01 . 2 . . . . 12 LYS HG2 . 25366 3
82 . 1 1 12 12 LYS HG3 H 1 1.47 0.01 . 2 . . . . 12 LYS HG3 . 25366 3
83 . 1 1 13 13 SER H H 1 8.12 0.01 . 1 . . . . 13 SER H . 25366 3
84 . 1 1 13 13 SER HA H 1 4.42 0.01 . 1 . . . . 13 SER HA . 25366 3
85 . 1 1 13 13 SER HB2 H 1 3.87 0.01 . 2 . . . . 13 SER HB2 . 25366 3
86 . 1 1 13 13 SER HB3 H 1 3.87 0.01 . 2 . . . . 13 SER HB3 . 25366 3
87 . 1 1 14 14 VAL H H 1 7.93 0.01 . 1 . . . . 14 VAL H . 25366 3
88 . 1 1 14 14 VAL HA H 1 4.12 0.01 . 1 . . . . 14 VAL HA . 25366 3
89 . 1 1 14 14 VAL HB H 1 2.13 0.01 . 1 . . . . 14 VAL HB . 25366 3
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