Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 30452
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_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 $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-15N HSQC' . . . 30452 2
2 '2D 1H-1H TOCSY' . . . 30452 2
3 '2D 1H-1H NOESY' . . . 30452 2
4 '2D 1H-1H NOESY' . . . 30452 2
5 '2D 1H-13C HSQC' . . . 30452 2
6 '3D 1H-15N NOESY' . . . 30452 2
7 '3D 1H-13C NOESY' . . . 30452 2
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 DAB H H 1 7.7 . . . . . . . A 1 DAB H1 . 30452 2
2 . 1 1 1 1 DAB HA H 1 4.551 . . . . . . . A 1 DAB HA . 30452 2
3 . 1 1 1 1 DAB HB2 H 1 2.11 . . . . . . . A 1 DAB HB2 . 30452 2
4 . 1 1 1 1 DAB HB3 H 1 2.17 . . . . . . . A 1 DAB HB3 . 30452 2
5 . 1 1 1 1 DAB HD1 H 1 7.97 . . . . . . . A 1 DAB HD1 . 30452 2
6 . 1 1 1 1 DAB HD2 H 1 7.97 . . . . . . . A 1 DAB HD2 . 30452 2
7 . 1 1 1 1 DAB HD3 H 1 7.97 . . . . . . . A 1 DAB HD3 . 30452 2
8 . 1 1 1 1 DAB HG2 H 1 2.85 . . . . . . . A 1 DAB HG2 . 30452 2
9 . 1 1 1 1 DAB HG3 H 1 3.02 . . . . . . . A 1 DAB HG3 . 30452 2
10 . 1 1 2 2 VAL H H 1 8.71 . . . . . . . A 2 VAL H . 30452 2
11 . 1 1 2 2 VAL HA H 1 4.875 . . . . . . . A 2 VAL HA . 30452 2
12 . 1 1 2 2 VAL HB H 1 1.92 . . . . . . . A 2 VAL HB . 30452 2
13 . 1 1 2 2 VAL HG11 H 1 0.72 . . . . . . . A 2 VAL HG11 . 30452 2
14 . 1 1 2 2 VAL HG12 H 1 0.72 . . . . . . . A 2 VAL HG12 . 30452 2
15 . 1 1 2 2 VAL HG13 H 1 0.72 . . . . . . . A 2 VAL HG13 . 30452 2
16 . 1 1 3 3 ARG H H 1 8.57 . . . . . . . A 3 ARG H . 30452 2
17 . 1 1 3 3 ARG HA H 1 4.75 . . . . . . . A 3 ARG HA . 30452 2
18 . 1 1 3 3 ARG HB2 H 1 1.987 . . . . . . . A 3 ARG HB2 . 30452 2
19 . 1 1 3 3 ARG HB3 H 1 1.689 . . . . . . . A 3 ARG HB3 . 30452 2
20 . 1 1 3 3 ARG HG2 H 1 1.512 . . . . . . . A 3 ARG HG2 . 30452 2
21 . 1 1 3 3 ARG HG3 H 1 1.459 . . . . . . . A 3 ARG HG3 . 30452 2
22 . 1 1 3 3 ARG HE H 1 7.13 . . . . . . . A 3 ARG HE . 30452 2
23 . 1 1 4 4 THR H H 1 7.94 . . . . . . . A 4 THR H . 30452 2
24 . 1 1 4 4 THR HA H 1 5.02 . . . . . . . A 4 THR HA . 30452 2
25 . 1 1 4 4 THR HB H 1 3.925 . . . . . . . A 4 THR HB . 30452 2
26 . 1 1 4 4 THR HG21 H 1 0.98 . . . . . . . A 4 THR HG21 . 30452 2
27 . 1 1 4 4 THR HG22 H 1 0.98 . . . . . . . A 4 THR HG22 . 30452 2
28 . 1 1 4 4 THR HG23 H 1 0.98 . . . . . . . A 4 THR HG23 . 30452 2
29 . 1 1 5 5 ARG H H 1 8.98 . . . . . . . A 5 ARG H . 30452 2
30 . 1 1 5 5 ARG HA H 1 4.36 . . . . . . . A 5 ARG HA . 30452 2
31 . 1 1 5 5 ARG HB3 H 1 1.685 . . . . . . . A 5 ARG HB3 . 30452 2
32 . 1 1 5 5 ARG HG2 H 1 1.185 . . . . . . . A 5 ARG HG2 . 30452 2
33 . 1 1 5 5 ARG HG3 H 1 1.28 . . . . . . . A 5 ARG HG3 . 30452 2
34 . 1 1 5 5 ARG HD2 H 1 3.065 . . . . . . . A 5 ARG HD2 . 30452 2
35 . 1 1 5 5 ARG HE H 1 6.52 . . . . . . . A 5 ARG HE . 30452 2
36 . 1 1 6 6 LYS H H 1 9.54 . . . . . . . A 6 LYS H . 30452 2
37 . 1 1 6 6 LYS HA H 1 3.72 . . . . . . . A 6 LYS HA . 30452 2
38 . 1 1 6 6 LYS HB2 H 1 1.777 . . . . . . . A 6 LYS HB2 . 30452 2
39 . 1 1 6 6 LYS HG2 H 1 1.305 . . . . . . . A 6 LYS HG2 . 30452 2
40 . 1 1 6 6 LYS HG3 H 1 1.215 . . . . . . . A 6 LYS HG3 . 30452 2
41 . 1 1 6 6 LYS HD2 H 1 1.616 . . . . . . . A 6 LYS HD2 . 30452 2
42 . 1 1 6 6 LYS HD3 H 1 1.524 . . . . . . . A 6 LYS HD3 . 30452 2
43 . 1 1 6 6 LYS HE2 H 1 2.944 . . . . . . . A 6 LYS HE2 . 30452 2
44 . 1 1 6 6 LYS HE3 H 1 2.944 . . . . . . . A 6 LYS HE3 . 30452 2
45 . 1 1 6 6 LYS HZ1 H 1 7.56 . . . . . . . A 6 LYS HZ1 . 30452 2
46 . 1 1 6 6 LYS HZ2 H 1 7.56 . . . . . . . A 6 LYS HZ2 . 30452 2
47 . 1 1 6 6 LYS HZ3 H 1 7.56 . . . . . . . A 6 LYS HZ3 . 30452 2
48 . 1 1 7 7 GLY H H 1 8.77 . . . . . . . A 7 GLY H . 30452 2
49 . 1 1 7 7 GLY HA2 H 1 4.1 . . . . . . . A 7 GLY HA2 . 30452 2
50 . 1 1 7 7 GLY HA3 H 1 3.483 . . . . . . . A 7 GLY HA3 . 30452 2
51 . 1 1 8 8 ARG H H 1 7.75 . . . . . . . A 8 ARG H . 30452 2
52 . 1 1 8 8 ARG HA H 1 4.52 . . . . . . . A 8 ARG HA . 30452 2
53 . 1 1 8 8 ARG HB2 H 1 1.841 . . . . . . . A 8 ARG HB2 . 30452 2
54 . 1 1 8 8 ARG HB3 H 1 1.752 . . . . . . . A 8 ARG HB3 . 30452 2
55 . 1 1 8 8 ARG HG2 H 1 1.573 . . . . . . . A 8 ARG HG2 . 30452 2
56 . 1 1 8 8 ARG HG3 H 1 1.545 . . . . . . . A 8 ARG HG3 . 30452 2
57 . 1 1 8 8 ARG HD2 H 1 2.935 . . . . . . . A 8 ARG HD2 . 30452 2
58 . 1 1 8 8 ARG HE H 1 7.18 . . . . . . . A 8 ARG HE . 30452 2
59 . 1 1 9 9 ARG H H 1 8.72 . . . . . . . A 9 ARG H . 30452 2
60 . 1 1 9 9 ARG HA H 1 4.69 . . . . . . . A 9 ARG HA . 30452 2
61 . 1 1 9 9 ARG HB2 H 1 1.718 . . . . . . . A 9 ARG HB2 . 30452 2
62 . 1 1 9 9 ARG HB3 H 1 1.602 . . . . . . . A 9 ARG HB3 . 30452 2
63 . 1 1 9 9 ARG HG2 H 1 1.492 . . . . . . . A 9 ARG HG2 . 30452 2
64 . 1 1 9 9 ARG HD2 H 1 3.06 . . . . . . . A 9 ARG HD2 . 30452 2
65 . 1 1 10 10 ILE H H 1 8.89 . . . . . . . A 10 ILE H . 30452 2
66 . 1 1 10 10 ILE HA H 1 4.479 . . . . . . . A 10 ILE HA . 30452 2
67 . 1 1 10 10 ILE HB H 1 1.627 . . . . . . . A 10 ILE HB . 30452 2
68 . 1 1 10 10 ILE HG12 H 1 1.225 . . . . . . . A 10 ILE HG12 . 30452 2
69 . 1 1 10 10 ILE HG13 H 1 1.225 . . . . . . . A 10 ILE HG13 . 30452 2
70 . 1 1 10 10 ILE HG21 H 1 0.7599 . . . . . . . A 10 ILE HG21 . 30452 2
71 . 1 1 10 10 ILE HG22 H 1 0.7599 . . . . . . . A 10 ILE HG22 . 30452 2
72 . 1 1 10 10 ILE HG23 H 1 0.7599 . . . . . . . A 10 ILE HG23 . 30452 2
73 . 1 1 10 10 ILE HD11 H 1 0.6637 . . . . . . . A 10 ILE HD11 . 30452 2
74 . 1 1 10 10 ILE HD12 H 1 0.6637 . . . . . . . A 10 ILE HD12 . 30452 2
75 . 1 1 10 10 ILE HD13 H 1 0.6637 . . . . . . . A 10 ILE HD13 . 30452 2
76 . 1 1 11 11 4J5 H H 1 8.72 . . . . . . . A 11 4J5 H . 30452 2
77 . 1 1 11 11 4J5 HA H 1 4.74 . . . . . . . A 11 4J5 HA . 30452 2
78 . 1 1 11 11 4J5 HB2 H 1 1.999 . . . . . . . A 11 4J5 HB2 . 30452 2
79 . 1 1 11 11 4J5 HB3 H 1 1.934 . . . . . . . A 11 4J5 HB3 . 30452 2
80 . 1 1 11 11 4J5 HD H 1 6.79 . . . . . . . A 11 4J5 HD . 30452 2
81 . 1 1 11 11 4J5 HG2 H 1 2.951 . . . . . . . A 11 4J5 HG2 . 30452 2
82 . 1 1 11 11 4J5 HG3 H 1 2.866 . . . . . . . A 11 4J5 HG3 . 30452 2
83 . 1 1 12 12 ILE H H 1 8.64 . . . . . . . A 12 ILE H . 30452 2
84 . 1 1 12 12 ILE HA H 1 4.86 . . . . . . . A 12 ILE HA . 30452 2
85 . 1 1 12 12 ILE HB H 1 1.699 . . . . . . . A 12 ILE HB . 30452 2
86 . 1 1 12 12 ILE HG12 H 1 1.245 . . . . . . . A 12 ILE HG12 . 30452 2
87 . 1 1 12 12 ILE HG13 H 1 1.071 . . . . . . . A 12 ILE HG13 . 30452 2
88 . 1 1 12 12 ILE HG21 H 1 0.8056 . . . . . . . A 12 ILE HG21 . 30452 2
89 . 1 1 12 12 ILE HG22 H 1 0.8056 . . . . . . . A 12 ILE HG22 . 30452 2
90 . 1 1 12 12 ILE HG23 H 1 0.8056 . . . . . . . A 12 ILE HG23 . 30452 2
91 . 1 1 12 12 ILE HD11 H 1 0.6893 . . . . . . . A 12 ILE HD11 . 30452 2
92 . 1 1 12 12 ILE HD12 H 1 0.6893 . . . . . . . A 12 ILE HD12 . 30452 2
93 . 1 1 12 12 ILE HD13 H 1 0.6893 . . . . . . . A 12 ILE HD13 . 30452 2
94 . 1 1 13 13 DPR HA H 1 4.541 . . . . . . . A 13 DPR HA . 30452 2
95 . 1 1 13 13 DPR HB2 H 1 2.324 . . . . . . . A 13 DPR HB2 . 30452 2
96 . 1 1 13 13 DPR HB3 H 1 2.121 . . . . . . . A 13 DPR HB3 . 30452 2
97 . 1 1 13 13 DPR HD2 H 1 3.91 . . . . . . . A 13 DPR HD2 . 30452 2
98 . 1 1 13 13 DPR HD3 H 1 3.443 . . . . . . . A 13 DPR HD3 . 30452 2
99 . 1 1 13 13 DPR HG2 H 1 2.066 . . . . . . . A 13 DPR HG2 . 30452 2
100 . 1 1 13 13 DPR HG3 H 1 1.888 . . . . . . . A 13 DPR HG3 . 30452 2
101 . 1 1 14 14 PRO HA H 1 4.327 . . . . . . . A 14 PRO HA . 30452 2
102 . 1 1 14 14 PRO HB2 H 1 2.301 . . . . . . . A 14 PRO HB2 . 30452 2
103 . 1 1 14 14 PRO HB3 H 1 2.114 . . . . . . . A 14 PRO HB3 . 30452 2
104 . 1 1 14 14 PRO HG2 H 1 2.042 . . . . . . . A 14 PRO HG2 . 30452 2
105 . 1 1 14 14 PRO HD2 H 1 3.971 . . . . . . . A 14 PRO HD2 . 30452 2
106 . 1 1 14 14 PRO HD3 H 1 3.748 . . . . . . . A 14 PRO HD3 . 30452 2
stop_
save_