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 30363
_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-15N HSQC' . . . 30363 1
2 '2D 1H-1H TOCSY' . . . 30363 1
3 '2D 1H-1H NOESY' . . . 30363 1
4 '2D 1H-1H NOESY' . . . 30363 1
5 '2D 1H-1H TOCSY' . . . 30363 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 DCY H H 1 8.231 0.00 . . . . . . A 1 DCY H1 . 30363 1
2 . 1 1 1 1 DCY N N 15 117.599 0.00 . . . . . . A 1 DCY N . 30363 1
3 . 1 1 1 1 DCY HA H 1 4.348 0.00 . . . . . . A 1 DCY HA . 30363 1
4 . 1 1 1 1 DCY HB2 H 1 2.979 0.00 . . . . . . A 1 DCY HB2 . 30363 1
5 . 1 1 1 1 DCY HB3 H 1 2.803 0.00 . . . . . . A 1 DCY HB3 . 30363 1
6 . 1 1 2 2 ASN H H 1 9.171 0.00 . . . . . . A 2 ASN H . 30363 1
7 . 1 1 2 2 ASN HA H 1 4.851 0.00 . . . . . . A 2 ASN HA . 30363 1
8 . 1 1 2 2 ASN HB2 H 1 2.884 0.00 . . . . . . A 2 ASN HB2 . 30363 1
9 . 1 1 2 2 ASN HB3 H 1 2.564 0.00 . . . . . . A 2 ASN HB3 . 30363 1
10 . 1 1 2 2 ASN HD21 H 1 7.598 0.04 . . . . . . A 2 ASN HD21 . 30363 1
11 . 1 1 2 2 ASN HD22 H 1 6.849 0.00 . . . . . . A 2 ASN HD22 . 30363 1
12 . 1 1 2 2 ASN ND2 N 15 112.514 0.05 . . . . . . A 2 ASN ND2 . 30363 1
13 . 1 1 3 3 DVA H H 1 8.022 0.00 . . . . . . A 3 DVA H . 30363 1
14 . 1 1 3 3 DVA N N 15 123.488 0.00 . . . . . . A 3 DVA N . 30363 1
15 . 1 1 3 3 DVA HA H 1 4.415 0.00 . . . . . . A 3 DVA HA . 30363 1
16 . 1 1 3 3 DVA HB H 1 2.183 0.00 . . . . . . A 3 DVA HB . 30363 1
17 . 1 1 3 3 DVA HG11 H 1 0.803 0.00 . . . . . . A 3 DVA HG11 . 30363 1
18 . 1 1 3 3 DVA HG21 H 1 0.990 0.00 . . . . . . A 3 DVA HG21 . 30363 1
19 . 1 1 4 4 DPR HA H 1 4.335 0.00 . . . . . . A 4 DPR HA . 30363 1
20 . 1 1 4 4 DPR HB2 H 1 1.773 0.00 . . . . . . A 4 DPR HB2 . 30363 1
21 . 1 1 4 4 DPR HB3 H 1 2.222 0.01 . . . . . . A 4 DPR HB3 . 30363 1
22 . 1 1 4 4 DPR HD2 H 1 3.776 0.00 . . . . . . A 4 DPR HD2 . 30363 1
23 . 1 1 4 4 DPR HD3 H 1 3.622 0.01 . . . . . . A 4 DPR HD3 . 30363 1
24 . 1 1 4 4 DPR HG2 H 1 1.902 0.01 . . . . . . A 4 DPR HG2 . 30363 1
25 . 1 1 4 4 DPR HG3 H 1 1.987 0.00 . . . . . . A 4 DPR HG3 . 30363 1
26 . 1 1 5 5 ASP H H 1 8.512 0.03 . . . . . . A 5 ASP H . 30363 1
27 . 1 1 5 5 ASP HA H 1 4.776 0.00 . . . . . . A 5 ASP HA . 30363 1
28 . 1 1 5 5 ASP HB2 H 1 2.803 0.00 . . . . . . A 5 ASP HB2 . 30363 1
29 . 1 1 5 5 ASP HB3 H 1 2.803 0.00 . . . . . . A 5 ASP HB3 . 30363 1
30 . 1 1 5 5 ASP N N 15 118.861 0.00 . . . . . . A 5 ASP N . 30363 1
31 . 1 1 6 6 VAL H H 1 7.377 0.00 . . . . . . A 6 VAL H . 30363 1
32 . 1 1 6 6 VAL HA H 1 4.533 0.00 . . . . . . A 6 VAL HA . 30363 1
33 . 1 1 6 6 VAL HB H 1 2.296 0.01 . . . . . . A 6 VAL HB . 30363 1
34 . 1 1 6 6 VAL HG11 H 1 0.865 0.00 . . . . . . A 6 VAL HG11 . 30363 1
35 . 1 1 6 6 VAL HG12 H 1 0.865 0.00 . . . . . . A 6 VAL HG12 . 30363 1
36 . 1 1 6 6 VAL HG13 H 1 0.865 0.00 . . . . . . A 6 VAL HG13 . 30363 1
37 . 1 1 6 6 VAL HG21 H 1 0.967 0.00 . . . . . . A 6 VAL HG21 . 30363 1
38 . 1 1 6 6 VAL HG22 H 1 0.967 0.00 . . . . . . A 6 VAL HG22 . 30363 1
39 . 1 1 6 6 VAL HG23 H 1 0.967 0.00 . . . . . . A 6 VAL HG23 . 30363 1
40 . 1 1 7 7 TYR H H 1 8.290 0.03 . . . . . . A 7 TYR H . 30363 1
41 . 1 1 7 7 TYR HA H 1 4.793 0.01 . . . . . . A 7 TYR HA . 30363 1
42 . 1 1 7 7 TYR HB2 H 1 2.877 0.00 . . . . . . A 7 TYR HB2 . 30363 1
43 . 1 1 7 7 TYR HB3 H 1 2.877 0.00 . . . . . . A 7 TYR HB3 . 30363 1
44 . 1 1 7 7 TYR HD1 H 1 6.986 0.01 . . . . . . A 7 TYR HD1 . 30363 1
45 . 1 1 7 7 TYR HD2 H 1 6.986 0.01 . . . . . . A 7 TYR HD2 . 30363 1
46 . 1 1 7 7 TYR HE1 H 1 6.786 0.00 . . . . . . A 7 TYR HE1 . 30363 1
47 . 1 1 7 7 TYR HE2 H 1 6.786 0.00 . . . . . . A 7 TYR HE2 . 30363 1
48 . 1 1 7 7 TYR N N 15 120.193 0.00 . . . . . . A 7 TYR N . 30363 1
49 . 1 1 8 8 CYS H H 1 8.990 0.02 . . . . . . A 8 CYS H . 30363 1
50 . 1 1 8 8 CYS HA H 1 5.025 0.00 . . . . . . A 8 CYS HA . 30363 1
51 . 1 1 8 8 CYS HB2 H 1 3.391 0.00 . . . . . . A 8 CYS HB2 . 30363 1
52 . 1 1 8 8 CYS HB3 H 1 3.201 0.00 . . . . . . A 8 CYS HB3 . 30363 1
53 . 1 1 8 8 CYS N N 15 124.680 0.00 . . . . . . A 8 CYS N . 30363 1
54 . 1 1 9 9 DPR HA H 1 4.415 0.00 . . . . . . A 9 DPR HA . 30363 1
55 . 1 1 9 9 DPR HB2 H 1 1.976 0.00 . . . . . . A 9 DPR HB2 . 30363 1
56 . 1 1 9 9 DPR HB3 H 1 2.386 0.00 . . . . . . A 9 DPR HB3 . 30363 1
57 . 1 1 9 9 DPR HD2 H 1 4.120 0.00 . . . . . . A 9 DPR HD2 . 30363 1
58 . 1 1 9 9 DPR HD3 H 1 3.923 0.00 . . . . . . A 9 DPR HD3 . 30363 1
59 . 1 1 9 9 DPR HG3 H 1 2.044 0.00 . . . . . . A 9 DPR HG3 . 30363 1
60 . 1 1 10 10 DSG H H 1 8.520 0.00 . . . . . . A 10 DSG H . 30363 1
61 . 1 1 10 10 DSG N N 15 111.903 0.00 . . . . . . A 10 DSG N . 30363 1
62 . 1 1 10 10 DSG HA H 1 4.777 0.00 . . . . . . A 10 DSG HA . 30363 1
63 . 1 1 10 10 DSG HB2 H 1 2.848 0.00 . . . . . . A 10 DSG HB2 . 30363 1
64 . 1 1 10 10 DSG HB3 H 1 2.780 0.00 . . . . . . A 10 DSG HB3 . 30363 1
65 . 1 1 10 10 DSG HD21 H 1 7.531 0.00 . . . . . . A 10 DSG HD21 . 30363 1
66 . 1 1 10 10 DSG HD22 H 1 6.828 0.00 . . . . . . A 10 DSG HD22 . 30363 1
67 . 1 1 10 10 DSG ND2 N 15 113.290 0.11 . . . . . . A 10 DSG ND2 . 30363 1
68 . 1 1 11 11 LYS H H 1 7.576 0.01 . . . . . . A 11 LYS H . 30363 1
69 . 1 1 11 11 LYS HA H 1 4.591 0.00 . . . . . . A 11 LYS HA . 30363 1
70 . 1 1 11 11 LYS HB2 H 1 1.697 0.00 . . . . . . A 11 LYS HB2 . 30363 1
71 . 1 1 11 11 LYS HB3 H 1 1.697 0.00 . . . . . . A 11 LYS HB3 . 30363 1
72 . 1 1 11 11 LYS HG2 H 1 1.300 0.00 . . . . . . A 11 LYS HG2 . 30363 1
73 . 1 1 11 11 LYS HG3 H 1 1.300 0.00 . . . . . . A 11 LYS HG3 . 30363 1
74 . 1 1 11 11 LYS N N 15 119.632 0.00 . . . . . . A 11 LYS N . 30363 1
75 . 1 1 12 12 TYR H H 1 8.561 0.03 . . . . . . A 12 TYR H . 30363 1
76 . 1 1 12 12 TYR HA H 1 3.772 0.00 . . . . . . A 12 TYR HA . 30363 1
77 . 1 1 12 12 TYR HB2 H 1 2.611 0.00 . . . . . . A 12 TYR HB2 . 30363 1
78 . 1 1 12 12 TYR HB3 H 1 2.408 0.00 . . . . . . A 12 TYR HB3 . 30363 1
79 . 1 1 12 12 TYR HD1 H 1 6.782 0.00 . . . . . . A 12 TYR HD1 . 30363 1
80 . 1 1 12 12 TYR HD2 H 1 6.523 0.00 . . . . . . A 12 TYR HD2 . 30363 1
81 . 1 1 12 12 TYR HE1 H 1 6.994 0.00 . . . . . . A 12 TYR HE1 . 30363 1
82 . 1 1 12 12 TYR HE2 H 1 6.605 0.00 . . . . . . A 12 TYR HE2 . 30363 1
83 . 1 1 12 12 TYR N N 15 122.506 0.00 . . . . . . A 12 TYR N . 30363 1
84 . 1 1 13 13 DVA H H 1 7.329 0.00 . . . . . . A 13 DVA H . 30363 1
85 . 1 1 13 13 DVA N N 15 126.923 0.00 . . . . . . A 13 DVA N . 30363 1
86 . 1 1 13 13 DVA HA H 1 4.207 0.00 . . . . . . A 13 DVA HA . 30363 1
87 . 1 1 13 13 DVA HB H 1 1.811 0.00 . . . . . . A 13 DVA HB . 30363 1
88 . 1 1 13 13 DVA HG11 H 1 0.420 0.00 . . . . . . A 13 DVA HG11 . 30363 1
89 . 1 1 14 14 DPR HA H 1 4.237 0.00 . . . . . . A 14 DPR HA . 30363 1
90 . 1 1 14 14 DPR HB2 H 1 1.700 0.00 . . . . . . A 14 DPR HB2 . 30363 1
91 . 1 1 14 14 DPR HB3 H 1 2.216 0.00 . . . . . . A 14 DPR HB3 . 30363 1
92 . 1 1 14 14 DPR HD2 H 1 3.676 0.00 . . . . . . A 14 DPR HD2 . 30363 1
93 . 1 1 14 14 DPR HD3 H 1 3.379 0.00 . . . . . . A 14 DPR HD3 . 30363 1
94 . 1 1 14 14 DPR HG2 H 1 1.822 0.01 . . . . . . A 14 DPR HG2 . 30363 1
95 . 1 1 14 14 DPR HG3 H 1 1.978 0.00 . . . . . . A 14 DPR HG3 . 30363 1
stop_
save_