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 30355
_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 $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 TOCSY' . . . 30355 1
2 '2D 1H-1H NOESY' . . . 30355 1
3 '2D 1H-15N HSQC' . . . 30355 1
4 '2D 1H-13C HSQC' . . . 30355 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.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 ASP H H 1 9.098 0.00 . . . . . . A 1 ASP H1 . 30355 1
2 . 1 1 1 1 ASP HA H 1 4.558 0.01 . . . . . . A 1 ASP HA . 30355 1
3 . 1 1 1 1 ASP HB2 H 1 2.812 0.00 . . . . . . A 1 ASP HB2 . 30355 1
4 . 1 1 1 1 ASP HB3 H 1 2.919 0.01 . . . . . . A 1 ASP HB3 . 30355 1
5 . 1 1 1 1 ASP CA C 13 53.135 0.00 . . . . . . A 1 ASP CA . 30355 1
6 . 1 1 1 1 ASP CB C 13 37.463 0.11 . . . . . . A 1 ASP CB . 30355 1
7 . 1 1 1 1 ASP N N 15 125.699 0.00 . . . . . . A 1 ASP N . 30355 1
8 . 1 1 2 2 ASP H H 1 7.846 0.00 . . . . . . A 2 ASP H . 30355 1
9 . 1 1 2 2 ASP HA H 1 4.804 0.01 . . . . . . A 2 ASP HA . 30355 1
10 . 1 1 2 2 ASP HB2 H 1 2.845 0.01 . . . . . . A 2 ASP HB2 . 30355 1
11 . 1 1 2 2 ASP HB3 H 1 3.207 0.01 . . . . . . A 2 ASP HB3 . 30355 1
12 . 1 1 2 2 ASP CA C 13 50.620 0.00 . . . . . . A 2 ASP CA . 30355 1
13 . 1 1 2 2 ASP CB C 13 38.017 0.06 . . . . . . A 2 ASP CB . 30355 1
14 . 1 1 2 2 ASP N N 15 121.477 0.00 . . . . . . A 2 ASP N . 30355 1
15 . 1 1 3 3 PRO HA H 1 4.205 0.07 . . . . . . A 3 PRO HA . 30355 1
16 . 1 1 3 3 PRO HB2 H 1 1.962 0.01 . . . . . . A 3 PRO HB2 . 30355 1
17 . 1 1 3 3 PRO HB3 H 1 2.256 0.01 . . . . . . A 3 PRO HB3 . 30355 1
18 . 1 1 3 3 PRO HG2 H 1 2.079 0.12 . . . . . . A 3 PRO HG2 . 30355 1
19 . 1 1 3 3 PRO HG3 H 1 2.079 0.12 . . . . . . A 3 PRO HG3 . 30355 1
20 . 1 1 3 3 PRO HD2 H 1 3.904 0.01 . . . . . . A 3 PRO HD2 . 30355 1
21 . 1 1 3 3 PRO HD3 H 1 3.909 0.00 . . . . . . A 3 PRO HD3 . 30355 1
22 . 1 1 3 3 PRO CA C 13 64.365 0.00 . . . . . . A 3 PRO CA . 30355 1
23 . 1 1 3 3 PRO CB C 13 32.303 0.09 . . . . . . A 3 PRO CB . 30355 1
24 . 1 1 3 3 PRO CG C 13 27.219 0.00 . . . . . . A 3 PRO CG . 30355 1
25 . 1 1 3 3 PRO CD C 13 50.741 0.02 . . . . . . A 3 PRO CD . 30355 1
26 . 1 1 4 4 THR H H 1 7.571 0.00 . . . . . . A 4 THR H . 30355 1
27 . 1 1 4 4 THR HA H 1 4.459 0.01 . . . . . . A 4 THR HA . 30355 1
28 . 1 1 4 4 THR HB H 1 3.981 0.01 . . . . . . A 4 THR HB . 30355 1
29 . 1 1 4 4 THR HG21 H 1 1.084 0.01 . . . . . . A 4 THR HG21 . 30355 1
30 . 1 1 4 4 THR HG22 H 1 1.084 0.01 . . . . . . A 4 THR HG22 . 30355 1
31 . 1 1 4 4 THR HG23 H 1 1.084 0.01 . . . . . . A 4 THR HG23 . 30355 1
32 . 1 1 4 4 THR CA C 13 59.420 0.00 . . . . . . A 4 THR CA . 30355 1
33 . 1 1 4 4 THR CB C 13 69.226 0.00 . . . . . . A 4 THR CB . 30355 1
34 . 1 1 4 4 THR CG2 C 13 21.223 0.00 . . . . . . A 4 THR CG2 . 30355 1
35 . 1 1 4 4 THR N N 15 115.145 0.00 . . . . . . A 4 THR N . 30355 1
36 . 1 1 5 5 DPR CA C 13 62.773 0.00 . . . . . . A 5 DPR CA . 30355 1
37 . 1 1 5 5 DPR CB C 13 31.912 0.00 . . . . . . A 5 DPR CB . 30355 1
38 . 1 1 5 5 DPR CD C 13 50.877 0.02 . . . . . . A 5 DPR CD . 30355 1
39 . 1 1 5 5 DPR CG C 13 28.362 0.00 . . . . . . A 5 DPR CG . 30355 1
40 . 1 1 5 5 DPR HA H 1 4.292 0.15 . . . . . . A 5 DPR HA . 30355 1
41 . 1 1 5 5 DPR HB2 H 1 2.148 0.10 . . . . . . A 5 DPR HB2 . 30355 1
42 . 1 1 5 5 DPR HD2 H 1 3.647 0.01 . . . . . . A 5 DPR HD2 . 30355 1
43 . 1 1 5 5 DPR HD3 H 1 3.813 0.01 . . . . . . A 5 DPR HD3 . 30355 1
44 . 1 1 5 5 DPR HG2 H 1 1.952 0.09 . . . . . . A 5 DPR HG2 . 30355 1
45 . 1 1 6 6 DAR H H 1 7.811 0.02 . . . . . . A 6 DAR H . 30355 1
46 . 1 1 6 6 DAR N N 15 120.633 0.00 . . . . . . A 6 DAR N . 30355 1
47 . 1 1 6 6 DAR CA C 13 58.079 0.00 . . . . . . A 6 DAR CA . 30355 1
48 . 1 1 6 6 DAR CB C 13 30.415 0.00 . . . . . . A 6 DAR CB . 30355 1
49 . 1 1 6 6 DAR CD C 13 43.355 0.00 . . . . . . A 6 DAR CD . 30355 1
50 . 1 1 6 6 DAR CG C 13 27.370 0.05 . . . . . . A 6 DAR CG . 30355 1
51 . 1 1 6 6 DAR HA H 1 4.067 0.07 . . . . . . A 6 DAR HA . 30355 1
52 . 1 1 6 6 DAR HB2 H 1 1.734 0.02 . . . . . . A 6 DAR HB2 . 30355 1
53 . 1 1 6 6 DAR HB3 H 1 1.813 0.01 . . . . . . A 6 DAR HB3 . 30355 1
54 . 1 1 6 6 DAR HD2 H 1 3.176 0.01 . . . . . . A 6 DAR HD2 . 30355 1
55 . 1 1 6 6 DAR HE H 1 7.088 0.00 . . . . . . A 6 DAR HE . 30355 1
56 . 1 1 6 6 DAR HG2 H 1 1.517 0.01 . . . . . . A 6 DAR HG2 . 30355 1
57 . 1 1 6 6 DAR HG3 H 1 1.708 0.03 . . . . . . A 6 DAR HG3 . 30355 1
58 . 1 1 6 6 DAR NE N 15 116.271 0.00 . . . . . . A 6 DAR NE . 30355 1
59 . 1 1 7 7 GLN H H 1 7.651 0.00 . . . . . . A 7 GLN H . 30355 1
60 . 1 1 7 7 GLN HA H 1 4.488 0.01 . . . . . . A 7 GLN HA . 30355 1
61 . 1 1 7 7 GLN HB2 H 1 1.921 0.01 . . . . . . A 7 GLN HB2 . 30355 1
62 . 1 1 7 7 GLN HB3 H 1 2.085 0.00 . . . . . . A 7 GLN HB3 . 30355 1
63 . 1 1 7 7 GLN HG2 H 1 2.163 0.01 . . . . . . A 7 GLN HG2 . 30355 1
64 . 1 1 7 7 GLN HG3 H 1 2.262 0.01 . . . . . . A 7 GLN HG3 . 30355 1
65 . 1 1 7 7 GLN HE21 H 1 7.457 0.00 . . . . . . A 7 GLN HE21 . 30355 1
66 . 1 1 7 7 GLN HE22 H 1 6.886 0.00 . . . . . . A 7 GLN HE22 . 30355 1
67 . 1 1 7 7 GLN CA C 13 54.308 0.00 . . . . . . A 7 GLN CA . 30355 1
68 . 1 1 7 7 GLN CB C 13 30.558 0.03 . . . . . . A 7 GLN CB . 30355 1
69 . 1 1 7 7 GLN CG C 13 33.566 0.15 . . . . . . A 7 GLN CG . 30355 1
70 . 1 1 7 7 GLN N N 15 119.460 0.00 . . . . . . A 7 GLN N . 30355 1
71 . 1 1 7 7 GLN NE2 N 15 112.397 0.00 . . . . . . A 7 GLN NE2 . 30355 1
72 . 1 1 8 8 DGN H H 1 8.286 0.00 . . . . . . A 8 DGN H . 30355 1
73 . 1 1 8 8 DGN N N 15 122.744 0.00 . . . . . . A 8 DGN N . 30355 1
74 . 1 1 8 8 DGN CA C 13 57.325 0.00 . . . . . . A 8 DGN CA . 30355 1
75 . 1 1 8 8 DGN CB C 13 29.355 2.62 . . . . . . A 8 DGN CB . 30355 1
76 . 1 1 8 8 DGN CG C 13 33.536 0.00 . . . . . . A 8 DGN CG . 30355 1
77 . 1 1 8 8 DGN HA H 1 4.032 0.01 . . . . . . A 8 DGN HA . 30355 1
78 . 1 1 8 8 DGN HB2 H 1 1.912 0.03 . . . . . . A 8 DGN HB2 . 30355 1
79 . 1 1 8 8 DGN HE21 H 1 7.523 0.00 . . . . . . A 8 DGN HE21 . 30355 1
80 . 1 1 8 8 DGN HE22 H 1 6.900 0.00 . . . . . . A 8 DGN HE22 . 30355 1
81 . 1 1 8 8 DGN HG2 H 1 2.266 0.00 . . . . . . A 8 DGN HG2 . 30355 1
82 . 1 1 8 8 DGN NE2 N 15 112.519 0.00 . . . . . . A 8 DGN NE2 . 30355 1
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