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 30881
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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' . . . 30881 1
2 '2D 1H-1H NOESY' . . . 30881 1
3 '2D 1H-13C HSQC' . . . 30881 1
4 '2D 1H-15N HSQC' . . . 30881 1
5 '2D 1H-1H TOCSY' . . . 30881 1
6 '2D 1H-1H TOCSY' . . . 30881 1
7 '2D 1H-1H TOCSY' . . . 30881 1
8 '2D 1H-1H TOCSY' . . . 30881 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 THR H H 1 7.742 0.000 . . . . . A A 1 THR H1 . 30881 1
2 . 1 . 1 1 1 THR HA H 1 4.377 0.000 . . . . . A A 1 THR HA . 30881 1
3 . 1 . 1 1 1 THR HB H 1 4.141 0.002 . . . . . A A 1 THR HB . 30881 1
4 . 1 . 1 1 1 THR HG21 H 1 1.053 0.002 . . . . . A A 1 THR HG21 . 30881 1
5 . 1 . 1 1 1 THR HG22 H 1 1.053 0.002 . . . . . A A 1 THR HG22 . 30881 1
6 . 1 . 1 1 1 THR HG23 H 1 1.053 0.002 . . . . . A A 1 THR HG23 . 30881 1
7 . 1 . 1 1 1 THR CA C 13 61.380 0.000 . . . . . A A 1 THR CA . 30881 1
8 . 1 . 1 1 1 THR CB C 13 70.413 0.000 . . . . . A A 1 THR CB . 30881 1
9 . 1 . 1 1 1 THR CG2 C 13 21.073 0.000 . . . . . A A 1 THR CG2 . 30881 1
10 . 1 . 1 1 1 THR N N 15 110.490 0.000 . . . . . A A 1 THR N . 30881 1
11 . 1 . 1 2 2 PHE H H 1 8.302 0.000 . . . . . A A 2 PHE H . 30881 1
12 . 1 . 1 2 2 PHE HA H 1 4.442 0.000 . . . . . A A 2 PHE HA . 30881 1
13 . 1 . 1 2 2 PHE HB2 H 1 3.100 0.000 . . . . . A A 2 PHE HB2 . 30881 1
14 . 1 . 1 2 2 PHE HB3 H 1 3.100 0.000 . . . . . A A 2 PHE HB3 . 30881 1
15 . 1 . 1 2 2 PHE HD1 H 1 7.249 0.000 . . . . . A A 2 PHE HD1 . 30881 1
16 . 1 . 1 2 2 PHE HD2 H 1 7.249 0.000 . . . . . A A 2 PHE HD2 . 30881 1
17 . 1 . 1 2 2 PHE CA C 13 58.913 0.000 . . . . . A A 2 PHE CA . 30881 1
18 . 1 . 1 2 2 PHE CB C 13 38.707 0.000 . . . . . A A 2 PHE CB . 30881 1
19 . 1 . 1 2 2 PHE N N 15 121.089 0.000 . . . . . A A 2 PHE N . 30881 1
20 . 1 . 1 3 3 GLY H H 1 8.278 0.000 . . . . . A A 3 GLY H . 30881 1
21 . 1 . 1 3 3 GLY HA2 H 1 3.754 0.002 . . . . . A A 3 GLY HA2 . 30881 1
22 . 1 . 1 3 3 GLY CA C 13 45.021 0.000 . . . . . A A 3 GLY CA . 30881 1
23 . 1 . 1 3 3 GLY N N 15 110.710 0.000 . . . . . A A 3 GLY N . 30881 1
24 . 1 . 1 4 4 VAL H H 1 7.909 0.000 . . . . . A A 4 VAL H . 30881 1
25 . 1 . 1 4 4 VAL HA H 1 4.227 0.000 . . . . . A A 4 VAL HA . 30881 1
26 . 1 . 1 4 4 VAL HB H 1 2.210 0.002 . . . . . A A 4 VAL HB . 30881 1
27 . 1 . 1 4 4 VAL HG11 H 1 0.911 0.003 . . . . . A A 4 VAL HG11 . 30881 1
28 . 1 . 1 4 4 VAL HG12 H 1 0.911 0.003 . . . . . A A 4 VAL HG12 . 30881 1
29 . 1 . 1 4 4 VAL HG13 H 1 0.911 0.003 . . . . . A A 4 VAL HG13 . 30881 1
30 . 1 . 1 4 4 VAL HG21 H 1 0.838 0.005 . . . . . A A 4 VAL HG21 . 30881 1
31 . 1 . 1 4 4 VAL HG22 H 1 0.838 0.005 . . . . . A A 4 VAL HG22 . 30881 1
32 . 1 . 1 4 4 VAL HG23 H 1 0.838 0.005 . . . . . A A 4 VAL HG23 . 30881 1
33 . 1 . 1 4 4 VAL CA C 13 61.732 0.000 . . . . . A A 4 VAL CA . 30881 1
34 . 1 . 1 4 4 VAL CB C 13 32.219 0.000 . . . . . A A 4 VAL CB . 30881 1
35 . 1 . 1 4 4 VAL CG1 C 13 21.799 0.000 . . . . . A A 4 VAL CG1 . 30881 1
36 . 1 . 1 4 4 VAL CG2 C 13 19.720 0.000 . . . . . A A 4 VAL CG2 . 30881 1
37 . 1 . 1 4 4 VAL N N 15 118.100 0.000 . . . . . A A 4 VAL N . 30881 1
38 . 1 . 1 5 5 VAL H H 1 8.190 0.000 . . . . . A A 5 VAL H . 30881 1
39 . 1 . 1 5 5 VAL HA H 1 3.975 0.001 . . . . . A A 5 VAL HA . 30881 1
40 . 1 . 1 5 5 VAL HB H 1 2.088 0.003 . . . . . A A 5 VAL HB . 30881 1
41 . 1 . 1 5 5 VAL HG11 H 1 0.963 0.000 . . . . . A A 5 VAL HG11 . 30881 1
42 . 1 . 1 5 5 VAL HG12 H 1 0.963 0.000 . . . . . A A 5 VAL HG12 . 30881 1
43 . 1 . 1 5 5 VAL HG13 H 1 0.963 0.000 . . . . . A A 5 VAL HG13 . 30881 1
44 . 1 . 1 5 5 VAL HG21 H 1 0.963 0.000 . . . . . A A 5 VAL HG21 . 30881 1
45 . 1 . 1 5 5 VAL HG22 H 1 0.963 0.000 . . . . . A A 5 VAL HG22 . 30881 1
46 . 1 . 1 5 5 VAL HG23 H 1 0.963 0.000 . . . . . A A 5 VAL HG23 . 30881 1
47 . 1 . 1 5 5 VAL CA C 13 64.518 0.000 . . . . . A A 5 VAL CA . 30881 1
48 . 1 . 1 5 5 VAL CB C 13 31.944 0.000 . . . . . A A 5 VAL CB . 30881 1
49 . 1 . 1 5 5 VAL CG1 C 13 20.972 0.000 . . . . . A A 5 VAL CG1 . 30881 1
50 . 1 . 1 5 5 VAL N N 15 123.528 0.000 . . . . . A A 5 VAL N . 30881 1
51 . 1 . 1 6 6 ILE H H 1 8.042 0.000 . . . . . A A 6 ILE H . 30881 1
52 . 1 . 1 6 6 ILE HA H 1 4.033 0.006 . . . . . A A 6 ILE HA . 30881 1
53 . 1 . 1 6 6 ILE HB H 1 1.875 0.006 . . . . . A A 6 ILE HB . 30881 1
54 . 1 . 1 6 6 ILE HG12 H 1 1.436 0.000 . . . . . A A 6 ILE HG12 . 30881 1
55 . 1 . 1 6 6 ILE HG13 H 1 1.210 0.000 . . . . . A A 6 ILE HG13 . 30881 1
56 . 1 . 1 6 6 ILE HG21 H 1 0.910 0.000 . . . . . A A 6 ILE HG21 . 30881 1
57 . 1 . 1 6 6 ILE HG22 H 1 0.910 0.000 . . . . . A A 6 ILE HG22 . 30881 1
58 . 1 . 1 6 6 ILE HG23 H 1 0.910 0.000 . . . . . A A 6 ILE HG23 . 30881 1
59 . 1 . 1 6 6 ILE HD11 H 1 0.852 0.000 . . . . . A A 6 ILE HD11 . 30881 1
60 . 1 . 1 6 6 ILE HD12 H 1 0.852 0.000 . . . . . A A 6 ILE HD12 . 30881 1
61 . 1 . 1 6 6 ILE HD13 H 1 0.852 0.000 . . . . . A A 6 ILE HD13 . 30881 1
62 . 1 . 1 6 6 ILE CA C 13 62.403 0.000 . . . . . A A 6 ILE CA . 30881 1
63 . 1 . 1 6 6 ILE CB C 13 37.930 0.000 . . . . . A A 6 ILE CB . 30881 1
64 . 1 . 1 6 6 ILE CG1 C 13 27.560 0.000 . . . . . A A 6 ILE CG1 . 30881 1
65 . 1 . 1 6 6 ILE CG2 C 13 17.415 0.000 . . . . . A A 6 ILE CG2 . 30881 1
66 . 1 . 1 6 6 ILE CD1 C 13 13.057 0.000 . . . . . A A 6 ILE CD1 . 30881 1
67 . 1 . 1 6 6 ILE N N 15 119.567 0.000 . . . . . A A 6 ILE N . 30881 1
68 . 1 . 1 7 7 ALA H H 1 7.781 0.001 . . . . . A A 7 ALA H . 30881 1
69 . 1 . 1 7 7 ALA HA H 1 4.323 0.000 . . . . . A A 7 ALA HA . 30881 1
70 . 1 . 1 7 7 ALA HB1 H 1 1.365 0.002 . . . . . A A 7 ALA HB1 . 30881 1
71 . 1 . 1 7 7 ALA HB2 H 1 1.365 0.002 . . . . . A A 7 ALA HB2 . 30881 1
72 . 1 . 1 7 7 ALA HB3 H 1 1.365 0.002 . . . . . A A 7 ALA HB3 . 30881 1
73 . 1 . 1 7 7 ALA CA C 13 52.184 0.000 . . . . . A A 7 ALA CA . 30881 1
74 . 1 . 1 7 7 ALA CB C 13 18.843 0.000 . . . . . A A 7 ALA CB . 30881 1
75 . 1 . 1 7 7 ALA N N 15 123.932 0.000 . . . . . A A 7 ALA N . 30881 1
76 . 1 . 1 8 8 ASP H H 1 8.269 0.000 . . . . . A A 8 ASP H . 30881 1
77 . 1 . 1 8 8 ASP HA H 1 4.558 0.000 . . . . . A A 8 ASP HA . 30881 1
78 . 1 . 1 8 8 ASP HB2 H 1 3.069 0.001 . . . . . A A 8 ASP HB2 . 30881 1
79 . 1 . 1 8 8 ASP HB3 H 1 2.859 0.002 . . . . . A A 8 ASP HB3 . 30881 1
80 . 1 . 1 8 8 ASP CA C 13 53.562 0.000 . . . . . A A 8 ASP CA . 30881 1
81 . 1 . 1 8 8 ASP CB C 13 37.266 0.000 . . . . . A A 8 ASP CB . 30881 1
stop_
save_