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 34470
_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 NOESY' . . . 34470 1
2 '2D 1H-1H TOCSY' . . . 34470 1
3 '2D 1H-13C HSQC' . . . 34470 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 TRP H H 1 7.71 0.00 . 1 . . . . A 1 TRP H1 . 34470 1
2 . 1 . 1 1 1 TRP HA H 1 4.58 0.00 . 1 . . . . A 1 TRP HA . 34470 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.06 0.00 . . . . . . A 1 TRP HB2 . 34470 1
4 . 1 . 1 1 1 TRP HD1 H 1 7.15 0.00 . 1 . . . . A 1 TRP HD1 . 34470 1
5 . 1 . 1 1 1 TRP HE1 H 1 10.06 0.00 . 1 . . . . A 1 TRP HE1 . 34470 1
6 . 1 . 1 1 1 TRP HE3 H 1 7.62 0.00 . 1 . . . . A 1 TRP HE3 . 34470 1
7 . 1 . 1 1 1 TRP HZ2 H 1 7.18 0.00 . 1 . . . . A 1 TRP HZ2 . 34470 1
8 . 1 . 1 1 1 TRP HZ3 H 1 7.48 0.00 . 1 . . . . A 1 TRP HZ3 . 34470 1
9 . 1 . 1 1 1 TRP HH2 H 1 7.24 0.00 . 1 . . . . A 1 TRP HH2 . 34470 1
10 . 1 . 1 1 1 TRP CA C 13 59.22 0.00 . 1 . . . . A 1 TRP CA . 34470 1
11 . 1 . 1 1 1 TRP CB C 13 28.97 0.00 . 1 . . . . A 1 TRP CB . 34470 1
12 . 1 . 1 1 1 TRP CD1 C 13 122.21 0.00 . 1 . . . . A 1 TRP CD1 . 34470 1
13 . 1 . 1 1 1 TRP CE3 C 13 121.06 0.00 . 1 . . . . A 1 TRP CE3 . 34470 1
14 . 1 . 1 1 1 TRP CZ2 C 13 121.94 0.00 . 1 . . . . A 1 TRP CZ2 . 34470 1
15 . 1 . 1 1 1 TRP CZ3 C 13 114.73 0.00 . 1 . . . . A 1 TRP CZ3 . 34470 1
16 . 1 . 1 1 1 TRP CH2 C 13 124.66 0.00 . 1 . . . . A 1 TRP CH2 . 34470 1
17 . 1 . 1 2 2 DTR H H 1 7.85 0.00 . 1 . . . . A 2 DTR H . 34470 1
18 . 1 . 1 2 2 DTR CA C 13 56.89 0.00 . 1 . . . . A 2 DTR CA . 34470 1
19 . 1 . 1 2 2 DTR CB C 13 28.97 0.00 . 1 . . . . A 2 DTR CB . 34470 1
20 . 1 . 1 2 2 DTR CD1 C 13 127.38 0.00 . 1 . . . . A 2 DTR CD1 . 34470 1
21 . 1 . 1 2 2 DTR CE3 C 13 120.90 0.00 . 1 . . . . A 2 DTR CE3 . 34470 1
22 . 1 . 1 2 2 DTR CH2 C 13 124.66 0.00 . 1 . . . . A 2 DTR CH2 . 34470 1
23 . 1 . 1 2 2 DTR CZ2 C 13 121.91 0.00 . 1 . . . . A 2 DTR CZ2 . 34470 1
24 . 1 . 1 2 2 DTR CZ3 C 13 114.69 0.00 . 1 . . . . A 2 DTR CZ3 . 34470 1
25 . 1 . 1 2 2 DTR HA H 1 4.60 0.00 . 1 . . . . A 2 DTR HA . 34470 1
26 . 1 . 1 2 2 DTR HB2 H 1 3.09 0.00 . . . . . . A 2 DTR HB2 . 34470 1
27 . 1 . 1 2 2 DTR HB3 H 1 3.32 0.00 . . . . . . A 2 DTR HB3 . 34470 1
28 . 1 . 1 2 2 DTR HD1 H 1 7.09 0.00 . 1 . . . . A 2 DTR HD1 . 34470 1
29 . 1 . 1 2 2 DTR HE1 H 1 10.13 0.00 . 1 . . . . A 2 DTR HE1 . 34470 1
30 . 1 . 1 2 2 DTR HE3 H 1 7.58 0.00 . 1 . . . . A 2 DTR HE3 . 34470 1
31 . 1 . 1 2 2 DTR HH2 H 1 7.24 0.00 . 1 . . . . A 2 DTR HH2 . 34470 1
32 . 1 . 1 2 2 DTR HZ2 H 1 7.15 0.00 . 1 . . . . A 2 DTR HZ2 . 34470 1
33 . 1 . 1 2 2 DTR HZ3 H 1 7.48 0.00 . 1 . . . . A 2 DTR HZ3 . 34470 1
34 . 1 . 1 3 3 VAL H H 1 7.97 0.00 . 1 . . . . A 3 VAL H . 34470 1
35 . 1 . 1 3 3 VAL HA H 1 4.48 0.00 . 1 . . . . A 3 VAL HA . 34470 1
36 . 1 . 1 3 3 VAL HB H 1 1.93 0.00 . 1 . . . . A 3 VAL HB . 34470 1
37 . 1 . 1 3 3 VAL HG11 H 1 0.68 0.00 . . . . . . A 3 VAL HG11 . 34470 1
38 . 1 . 1 3 3 VAL HG12 H 1 0.68 0.00 . . . . . . A 3 VAL HG12 . 34470 1
39 . 1 . 1 3 3 VAL HG13 H 1 0.68 0.00 . . . . . . A 3 VAL HG13 . 34470 1
40 . 1 . 1 3 3 VAL HG21 H 1 0.49 0.00 . . . . . . A 3 VAL HG21 . 34470 1
41 . 1 . 1 3 3 VAL HG22 H 1 0.49 0.00 . . . . . . A 3 VAL HG22 . 34470 1
42 . 1 . 1 3 3 VAL HG23 H 1 0.49 0.00 . . . . . . A 3 VAL HG23 . 34470 1
43 . 1 . 1 3 3 VAL CA C 13 59.22 0.00 . 1 . . . . A 3 VAL CA . 34470 1
44 . 1 . 1 3 3 VAL CB C 13 32.18 0.00 . 1 . . . . A 3 VAL CB . 34470 1
45 . 1 . 1 3 3 VAL CG1 C 13 21.08 0.00 . . . . . . A 3 VAL CG1 . 34470 1
46 . 1 . 1 3 3 VAL CG2 C 13 19.12 0.00 . . . . . . A 3 VAL CG2 . 34470 1
47 . 1 . 1 4 4 DPR CA C 13 63.66 0.00 . 1 . . . . A 4 DPR CA . 34470 1
48 . 1 . 1 4 4 DPR CB C 13 31.68 0.00 . 1 . . . . A 4 DPR CB . 34470 1
49 . 1 . 1 4 4 DPR CD C 13 50.81 0.00 . 1 . . . . A 4 DPR CD . 34470 1
50 . 1 . 1 4 4 DPR CG C 13 37.43 0.00 . 1 . . . . A 4 DPR CG . 34470 1
51 . 1 . 1 4 4 DPR HA H 1 4.34 0.00 . 1 . . . . A 4 DPR HA . 34470 1
52 . 1 . 1 4 4 DPR HB2 H 1 1.98 0.00 . . . . . . A 4 DPR HB2 . 34470 1
53 . 1 . 1 4 4 DPR HB3 H 1 2.25 0.00 . . . . . . A 4 DPR HB3 . 34470 1
54 . 1 . 1 4 4 DPR HD2 H 1 3.65 0.00 . . . . . . A 4 DPR HD2 . 34470 1
55 . 1 . 1 4 4 DPR HD3 H 1 3.71 0.00 . . . . . . A 4 DPR HD3 . 34470 1
56 . 1 . 1 4 4 DPR HG2 H 1 1.99 0.00 . . . . . . A 4 DPR HG2 . 34470 1
57 . 1 . 1 4 4 DPR HG3 H 1 2.04 0.00 . . . . . . A 4 DPR HG3 . 34470 1
58 . 1 . 1 5 5 GLU H H 1 8.85 0.00 . 1 . . . . A 5 GLU H . 34470 1
59 . 1 . 1 5 5 GLU HA H 1 4.22 0.00 . 1 . . . . A 5 GLU HA . 34470 1
60 . 1 . 1 5 5 GLU HB2 H 1 2.86 0.00 . . . . . . A 5 GLU HB2 . 34470 1
61 . 1 . 1 5 5 GLU HB3 H 1 2.16 0.00 . . . . . . A 5 GLU HB3 . 34470 1
62 . 1 . 1 5 5 GLU HG2 H 1 2.23 0.00 . . . . . . A 5 GLU HG2 . 34470 1
63 . 1 . 1 5 5 GLU CA C 13 56.76 0.00 . 1 . . . . A 5 GLU CA . 34470 1
64 . 1 . 1 5 5 GLU CB C 13 29.59 0.00 . 1 . . . . A 5 GLU CB . 34470 1
65 . 1 . 1 5 5 GLU CG C 13 35.98 0.00 . 1 . . . . A 5 GLU CG . 34470 1
66 . 1 . 1 6 6 ALA H H 1 8.02 0.00 . 1 . . . . A 6 ALA H . 34470 1
67 . 1 . 1 6 6 ALA HA H 1 4.27 0.00 . 1 . . . . A 6 ALA HA . 34470 1
68 . 1 . 1 6 6 ALA HB1 H 1 1.35 0.00 . 1 . . . . A 6 ALA HB1 . 34470 1
69 . 1 . 1 6 6 ALA HB2 H 1 1.35 0.00 . 1 . . . . A 6 ALA HB2 . 34470 1
70 . 1 . 1 6 6 ALA HB3 H 1 1.35 0.00 . 1 . . . . A 6 ALA HB3 . 34470 1
71 . 1 . 1 6 6 ALA CA C 13 52.83 0.00 . 1 . . . . A 6 ALA CA . 34470 1
72 . 1 . 1 6 6 ALA CB C 13 18.88 0.00 . 1 . . . . A 6 ALA CB . 34470 1
73 . 1 . 1 7 7 DLY H H 1 7.87 0.00 . 1 . . . . A 7 DLY H . 34470 1
74 . 1 . 1 7 7 DLY CA C 13 56.90 0.00 . 1 . . . . A 7 DLY CA . 34470 1
75 . 1 . 1 7 7 DLY CB C 13 32.28 0.00 . 1 . . . . A 7 DLY CB . 34470 1
76 . 1 . 1 7 7 DLY CD C 13 29.04 0.00 . 1 . . . . A 7 DLY CD . 34470 1
77 . 1 . 1 7 7 DLY CE C 13 42.05 0.00 . 1 . . . . A 7 DLY CE . 34470 1
78 . 1 . 1 7 7 DLY CG C 13 24.58 0.00 . 1 . . . . A 7 DLY CG . 34470 1
79 . 1 . 1 7 7 DLY HA H 1 4.15 0.00 . 1 . . . . A 7 DLY HA . 34470 1
80 . 1 . 1 7 7 DLY HB2 H 1 1.76 0.00 . . . . . . A 7 DLY HB2 . 34470 1
81 . 1 . 1 7 7 DLY HB3 H 1 1.80 0.00 . . . . . . A 7 DLY HB3 . 34470 1
82 . 1 . 1 7 7 DLY HD3 H 1 1.65 0.00 . . . . . . A 7 DLY HD3 . 34470 1
83 . 1 . 1 7 7 DLY HE3 H 1 2.97 0.00 . . . . . . A 7 DLY HE3 . 34470 1
84 . 1 . 1 7 7 DLY HG3 H 1 1.37 0.00 . . . . . . A 7 DLY HG3 . 34470 1
85 . 1 . 1 8 8 ASP H H 1 7.87 0.00 . 1 . . . . A 8 ASP H . 34470 1
86 . 1 . 1 8 8 ASP HA H 1 4.43 0.00 . 1 . . . . A 8 ASP HA . 34470 1
87 . 1 . 1 8 8 ASP HB2 H 1 2.50 0.00 . . . . . . A 8 ASP HB2 . 34470 1
88 . 1 . 1 8 8 ASP HB3 H 1 2.15 0.00 . . . . . . A 8 ASP HB3 . 34470 1
89 . 1 . 1 8 8 ASP CA C 13 55.22 0.00 . 1 . . . . A 8 ASP CA . 34470 1
90 . 1 . 1 8 8 ASP CB C 13 40.16 0.00 . 1 . . . . A 8 ASP CB . 34470 1
stop_
save_