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 34474
_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' . . . 34474 1
2 '2D 1H-1H TOCSY' . . . 34474 1
3 '2D 1H-13C HSQC' . . . 34474 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 LEU H H 1 8.02 0.00 . 1 . . . . A 1 LEU H1 . 34474 1
2 . 1 . 1 1 1 LEU HA H 1 4.26 0.00 . 1 . . . . A 1 LEU HA . 34474 1
3 . 1 . 1 1 1 LEU HB2 H 1 1.57 0.00 . . . . . . A 1 LEU HB2 . 34474 1
4 . 1 . 1 1 1 LEU HG H 1 1.42 0.00 . 1 . . . . A 1 LEU HG . 34474 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.89 0.00 . . . . . . A 1 LEU HD11 . 34474 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.89 0.00 . . . . . . A 1 LEU HD12 . 34474 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.89 0.00 . . . . . . A 1 LEU HD13 . 34474 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.88 0.00 . . . . . . A 1 LEU HD21 . 34474 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.88 0.00 . . . . . . A 1 LEU HD22 . 34474 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.88 0.00 . . . . . . A 1 LEU HD23 . 34474 1
11 . 1 . 1 1 1 LEU CA C 13 55.62 0.00 . 1 . . . . A 1 LEU CA . 34474 1
12 . 1 . 1 1 1 LEU CB C 13 41.83 0.00 . 1 . . . . A 1 LEU CB . 34474 1
13 . 1 . 1 1 1 LEU CG C 13 26.78 0.00 . 1 . . . . A 1 LEU CG . 34474 1
14 . 1 . 1 1 1 LEU CD1 C 13 24.65 0.00 . . . . . . A 1 LEU CD1 . 34474 1
15 . 1 . 1 1 1 LEU CD2 C 13 23.71 0.00 . . . . . . A 1 LEU CD2 . 34474 1
16 . 1 . 1 2 2 DGL H H 1 8.78 0.00 . 1 . . . . A 2 DGL H . 34474 1
17 . 1 . 1 2 2 DGL CA C 13 56.91 0.00 . 1 . . . . A 2 DGL CA . 34474 1
18 . 1 . 1 2 2 DGL CB C 13 36.18 0.00 . 1 . . . . A 2 DGL CB . 34474 1
19 . 1 . 1 2 2 DGL CG C 13 29.96 0.00 . 1 . . . . A 2 DGL CG . 34474 1
20 . 1 . 1 2 2 DGL HA H 1 4.25 0.00 . 1 . . . . A 2 DGL HA . 34474 1
21 . 1 . 1 2 2 DGL HB2 H 1 2.30 0.00 . . . . . . A 2 DGL HB2 . 34474 1
22 . 1 . 1 2 2 DGL HB3 H 1 2.23 0.00 . . . . . . A 2 DGL HB3 . 34474 1
23 . 1 . 1 2 2 DGL HG2 H 1 2.15 0.00 . . . . . . A 2 DGL HG2 . 34474 1
24 . 1 . 1 2 2 DGL HG3 H 1 1.92 0.00 . . . . . . A 2 DGL HG3 . 34474 1
25 . 1 . 1 3 3 DAR H H 1 8.16 0.00 . 1 . . . . A 3 DAR H . 34474 1
26 . 1 . 1 3 3 DAR CA C 13 56.90 0.00 . 1 . . . . A 3 DAR CA . 34474 1
27 . 1 . 1 3 3 DAR CB C 13 30.69 0.00 . 1 . . . . A 3 DAR CB . 34474 1
28 . 1 . 1 3 3 DAR CD C 13 43.31 0.00 . 1 . . . . A 3 DAR CD . 34474 1
29 . 1 . 1 3 3 DAR CG C 13 27.30 0.00 . 1 . . . . A 3 DAR CG . 34474 1
30 . 1 . 1 3 3 DAR HA H 1 4.26 0.00 . 1 . . . . A 3 DAR HA . 34474 1
31 . 1 . 1 3 3 DAR HB2 H 1 1.90 0.00 . . . . . . A 3 DAR HB2 . 34474 1
32 . 1 . 1 3 3 DAR HB3 H 1 1.86 0.00 . . . . . . A 3 DAR HB3 . 34474 1
33 . 1 . 1 3 3 DAR HD2 H 1 3.17 0.00 . . . . . . A 3 DAR HD2 . 34474 1
34 . 1 . 1 3 3 DAR HG2 H 1 1.66 0.00 . . . . . . A 3 DAR HG2 . 34474 1
35 . 1 . 1 3 3 DAR HG3 H 1 1.56 0.00 . . . . . . A 3 DAR HG3 . 34474 1
36 . 1 . 1 4 4 ARG H H 1 7.86 0.00 . 1 . . . . A 4 ARG H . 34474 1
37 . 1 . 1 4 4 ARG HA H 1 4.38 0.00 . 1 . . . . A 4 ARG HA . 34474 1
38 . 1 . 1 4 4 ARG HB2 H 1 1.73 0.00 . . . . . . A 4 ARG HB2 . 34474 1
39 . 1 . 1 4 4 ARG HB3 H 1 1.70 0.00 . . . . . . A 4 ARG HB3 . 34474 1
40 . 1 . 1 4 4 ARG HG2 H 1 1.53 0.00 . . . . . . A 4 ARG HG2 . 34474 1
41 . 1 . 1 4 4 ARG HG3 H 1 1.46 0.00 . . . . . . A 4 ARG HG3 . 34474 1
42 . 1 . 1 4 4 ARG HD2 H 1 3.11 0.00 . . . . . . A 4 ARG HD2 . 34474 1
43 . 1 . 1 4 4 ARG CA C 13 55.73 0.00 . 1 . . . . A 4 ARG CA . 34474 1
44 . 1 . 1 4 4 ARG CB C 13 31.46 0.00 . 1 . . . . A 4 ARG CB . 34474 1
45 . 1 . 1 4 4 ARG CG C 13 27.11 0.00 . 1 . . . . A 4 ARG CG . 34474 1
46 . 1 . 1 4 4 ARG CD C 13 43.27 0.00 . 1 . . . . A 4 ARG CD . 34474 1
47 . 1 . 1 5 5 TYR H H 1 8.60 0.00 . 1 . . . . A 5 TYR H . 34474 1
48 . 1 . 1 5 5 TYR HA H 1 4.63 0.00 . 1 . . . . A 5 TYR HA . 34474 1
49 . 1 . 1 5 5 TYR HB2 H 1 2.95 0.00 . . . . . . A 5 TYR HB2 . 34474 1
50 . 1 . 1 5 5 TYR HB3 H 1 2.90 0.00 . . . . . . A 5 TYR HB3 . 34474 1
51 . 1 . 1 5 5 TYR HD1 H 1 7.12 0.00 . . . . . . A 5 TYR HD1 . 34474 1
52 . 1 . 1 5 5 TYR HD2 H 1 7.12 0.00 . . . . . . A 5 TYR HD2 . 34474 1
53 . 1 . 1 5 5 TYR HE1 H 1 6.81 0.00 . . . . . . A 5 TYR HE1 . 34474 1
54 . 1 . 1 5 5 TYR HE2 H 1 6.81 0.00 . . . . . . A 5 TYR HE2 . 34474 1
55 . 1 . 1 5 5 TYR CA C 13 56.42 0.00 . 1 . . . . A 5 TYR CA . 34474 1
56 . 1 . 1 5 5 TYR CB C 13 38.69 0.00 . 1 . . . . A 5 TYR CB . 34474 1
57 . 1 . 1 6 6 DPR CA C 13 63.38 0.00 . 1 . . . . A 6 DPR CA . 34474 1
58 . 1 . 1 6 6 DPR CB C 13 31.94 0.00 . 1 . . . . A 6 DPR CB . 34474 1
59 . 1 . 1 6 6 DPR CD C 13 50.04 0.00 . 1 . . . . A 6 DPR CD . 34474 1
60 . 1 . 1 6 6 DPR CG C 13 26.20 0.00 . 1 . . . . A 6 DPR CG . 34474 1
61 . 1 . 1 6 6 DPR HA H 1 4.36 0.00 . 1 . . . . A 6 DPR HA . 34474 1
62 . 1 . 1 6 6 DPR HB2 H 1 1.92 0.00 . . . . . . A 6 DPR HB2 . 34474 1
63 . 1 . 1 6 6 DPR HD2 H 1 3.43 0.00 . . . . . . A 6 DPR HD2 . 34474 1
64 . 1 . 1 6 6 DPR HD3 H 1 2.81 0.00 . . . . . . A 6 DPR HD3 . 34474 1
65 . 1 . 1 6 6 DPR HG2 H 1 1.72 0.00 . . . . . . A 6 DPR HG2 . 34474 1
66 . 1 . 1 6 6 DPR HG3 H 1 1.65 0.00 . . . . . . A 6 DPR HG3 . 34474 1
67 . 1 . 1 7 7 ASP H H 1 8.00 0.00 . 1 . . . . A 7 ASP H . 34474 1
68 . 1 . 1 7 7 ASP HA H 1 4.40 0.00 . 1 . . . . A 7 ASP HA . 34474 1
69 . 1 . 1 7 7 ASP HB2 H 1 2.95 0.00 . . . . . . A 7 ASP HB2 . 34474 1
70 . 1 . 1 7 7 ASP HB3 H 1 2.74 0.00 . . . . . . A 7 ASP HB3 . 34474 1
71 . 1 . 1 7 7 ASP CA C 13 55.25 0.00 . 1 . . . . A 7 ASP CA . 34474 1
72 . 1 . 1 7 7 ASP CB C 13 40.77 0.00 . 1 . . . . A 7 ASP CB . 34474 1
73 . 1 . 1 8 8 THR H H 1 8.39 0.00 . 1 . . . . A 8 THR H . 34474 1
74 . 1 . 1 8 8 THR HA H 1 4.23 0.00 . 1 . . . . A 8 THR HA . 34474 1
75 . 1 . 1 8 8 THR HB H 1 4.22 0.00 . 1 . . . . A 8 THR HB . 34474 1
76 . 1 . 1 8 8 THR HG21 H 1 1.19 0.00 . 1 . . . . A 8 THR HG21 . 34474 1
77 . 1 . 1 8 8 THR HG22 H 1 1.19 0.00 . 1 . . . . A 8 THR HG22 . 34474 1
78 . 1 . 1 8 8 THR HG23 H 1 1.19 0.00 . 1 . . . . A 8 THR HG23 . 34474 1
79 . 1 . 1 8 8 THR CA C 13 62.35 0.00 . 1 . . . . A 8 THR CA . 34474 1
80 . 1 . 1 8 8 THR CB C 13 69.64 0.00 . 1 . . . . A 8 THR CB . 34474 1
81 . 1 . 1 8 8 THR CG2 C 13 21.66 0.00 . 1 . . . . A 8 THR CG2 . 34474 1
82 . 1 . 1 9 9 MET H H 1 8.56 0.00 . 1 . . . . A 9 MET H . 34474 1
83 . 1 . 1 9 9 MET HA H 1 4.42 0.00 . 1 . . . . A 9 MET HA . 34474 1
84 . 1 . 1 9 9 MET HB2 H 1 1.99 0.00 . . . . . . A 9 MET HB2 . 34474 1
85 . 1 . 1 9 9 MET HG2 H 1 2.49 0.00 . . . . . . A 9 MET HG2 . 34474 1
86 . 1 . 1 9 9 MET HE1 H 1 2.04 0.00 . 1 . . . . A 9 MET HE1 . 34474 1
87 . 1 . 1 9 9 MET HE2 H 1 2.04 0.00 . 1 . . . . A 9 MET HE2 . 34474 1
88 . 1 . 1 9 9 MET HE3 H 1 2.04 0.00 . 1 . . . . A 9 MET HE3 . 34474 1
89 . 1 . 1 9 9 MET CA C 13 55.95 0.00 . 1 . . . . A 9 MET CA . 34474 1
90 . 1 . 1 9 9 MET CB C 13 32.16 0.00 . 1 . . . . A 9 MET CB . 34474 1
91 . 1 . 1 9 9 MET CG C 13 32.03 0.00 . 1 . . . . A 9 MET CG . 34474 1
92 . 1 . 1 9 9 MET CE C 13 16.69 0.00 . 1 . . . . A 9 MET CE . 34474 1
93 . 1 . 1 10 10 TYR H H 1 8.22 0.00 . 1 . . . . A 10 TYR H . 34474 1
94 . 1 . 1 10 10 TYR HA H 1 4.55 0.00 . 1 . . . . A 10 TYR HA . 34474 1
95 . 1 . 1 10 10 TYR HB2 H 1 3.04 0.00 . . . . . . A 10 TYR HB2 . 34474 1
96 . 1 . 1 10 10 TYR HB3 H 1 2.97 0.00 . . . . . . A 10 TYR HB3 . 34474 1
97 . 1 . 1 10 10 TYR HD1 H 1 7.06 0.00 . . . . . . A 10 TYR HD1 . 34474 1
98 . 1 . 1 10 10 TYR HD2 H 1 7.06 0.00 . . . . . . A 10 TYR HD2 . 34474 1
99 . 1 . 1 10 10 TYR HE1 H 1 6.80 0.00 . . . . . . A 10 TYR HE1 . 34474 1
100 . 1 . 1 10 10 TYR HE2 H 1 6.80 0.00 . . . . . . A 10 TYR HE2 . 34474 1
101 . 1 . 1 10 10 TYR CA C 13 58.17 0.00 . 1 . . . . A 10 TYR CA . 34474 1
102 . 1 . 1 10 10 TYR CB C 13 38.25 0.00 . 1 . . . . A 10 TYR CB . 34474 1
stop_
save_