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 52415
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Ev_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' . . . 52415 1
2 '2D 1H-H TOCSY' . . . 52415 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52415 1
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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 PHE HA H 1 4.257 0.006 . . . . . . . 1 F HA . 52415 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.173 0.000 . . . . . . . 1 F HB2 . 52415 1
3 . 1 . 1 1 1 PHE HE1 H 1 7.324 0.000 . . . . . . . 1 F HE1 . 52415 1
4 . 1 . 1 1 1 PHE HE2 H 1 7.324 0.000 . . . . . . . 1 F HE2 . 52415 1
5 . 1 . 1 2 2 ASN H H 1 8.715 0.001 . . . . . . . 2 N HN . 52415 1
6 . 1 . 1 2 2 ASN HA H 1 4.745 0.007 . . . . . . . 2 N HA . 52415 1
7 . 1 . 1 2 2 ASN HB2 H 1 2.763 0.007 . . . . . . . 2 N HB2 . 52415 1
8 . 1 . 1 2 2 ASN HB3 H 1 2.671 0.005 . . . . . . . 2 N HB3 . 52415 1
9 . 1 . 1 2 2 ASN HD21 H 1 7.577 0.001 . . . . . . . 2 N HD21 . 52415 1
10 . 1 . 1 2 2 ASN HD22 H 1 6.902 0.001 . . . . . . . 2 N HD22 . 52415 1
11 . 1 . 1 3 3 ARG H H 1 8.514 0.002 . . . . . . . 3 R HN . 52415 1
12 . 1 . 1 3 3 ARG HA H 1 4.251 0.005 . . . . . . . 3 R HA . 52415 1
13 . 1 . 1 3 3 ARG HB2 H 1 1.761 0.002 . . . . . . . 3 R HB2 . 52415 1
14 . 1 . 1 3 3 ARG HB3 H 1 1.879 0.005 . . . . . . . 3 R HB3 . 52415 1
15 . 1 . 1 3 3 ARG HG2 H 1 1.635 0.003 . . . . . . . 3 R HG2 . 52415 1
16 . 1 . 1 3 3 ARG HG3 H 1 1.635 0.003 . . . . . . . 3 R HG3 . 52415 1
17 . 1 . 1 3 3 ARG HD2 H 1 3.177 0.003 . . . . . . . 3 R HD2 . 52415 1
18 . 1 . 1 3 3 ARG HD3 H 1 3.177 0.003 . . . . . . . 3 R HD3 . 52415 1
19 . 1 . 1 3 3 ARG HE H 1 7.241 0.007 . . . . . . . 3 R HE . 52415 1
20 . 1 . 1 4 4 GLY H H 1 8.452 0.002 . . . . . . . 4 G HN . 52415 1
21 . 1 . 1 4 4 GLY HA2 H 1 3.912 0.002 . . . . . . . 4 G HA1 . 52415 1
22 . 1 . 1 4 4 GLY HA3 H 1 3.912 0.002 . . . . . . . 4 G HA2 . 52415 1
23 . 1 . 1 5 5 GLY H H 1 8.175 0.001 . . . . . . . 5 G HN . 52415 1
24 . 1 . 1 5 5 GLY HA2 H 1 3.854 0.003 . . . . . . . 5 G HA1 . 52415 1
25 . 1 . 1 5 5 GLY HA3 H 1 3.854 0.003 . . . . . . . 5 G HA2 . 52415 1
26 . 1 . 1 6 6 TYR H H 1 8.042 0.002 . . . . . . . 6 Y HN . 52415 1
27 . 1 . 1 6 6 TYR HA H 1 4.411 0.001 . . . . . . . 6 Y HA . 52415 1
28 . 1 . 1 6 6 TYR HB2 H 1 2.827 0.003 . . . . . . . 6 Y HB2 . 52415 1
29 . 1 . 1 6 6 TYR HB3 H 1 2.827 0.003 . . . . . . . 6 Y HB3 . 52415 1
30 . 1 . 1 6 6 TYR HD1 H 1 6.984 0.003 . . . . . . . 6 Y HD1 . 52415 1
31 . 1 . 1 6 6 TYR HD2 H 1 6.984 0.002 . . . . . . . 6 Y HD2 . 52415 1
32 . 1 . 1 6 6 TYR HE1 H 1 6.772 0.001 . . . . . . . 6 Y HE1 . 52415 1
33 . 1 . 1 6 6 TYR HE2 H 1 6.772 0.001 . . . . . . . 6 Y HE2 . 52415 1
34 . 1 . 1 7 7 ASN H H 1 8.277 0.001 . . . . . . . 7 N HN . 52415 1
35 . 1 . 1 7 7 ASN HA H 1 4.634 0.004 . . . . . . . 7 N HA . 52415 1
36 . 1 . 1 7 7 ASN HB2 H 1 2.700 0.001 . . . . . . . 7 N HB2 . 52415 1
37 . 1 . 1 7 7 ASN HB3 H 1 2.558 0.001 . . . . . . . 7 N HB3 . 52415 1
38 . 1 . 1 7 7 ASN HD21 H 1 7.498 0.001 . . . . . . . 7 N HD21 . 52415 1
39 . 1 . 1 7 7 ASN HD22 H 1 6.826 0.001 . . . . . . . 7 N HD22 . 52415 1
40 . 1 . 1 8 8 PHE H H 1 8.065 0.002 . . . . . . . 8 F HN . 52415 1
41 . 1 . 1 8 8 PHE HA H 1 4.495 0.005 . . . . . . . 8 F HA . 52415 1
42 . 1 . 1 8 8 PHE HB2 H 1 3.160 0.003 . . . . . . . 8 F HB2 . 52415 1
43 . 1 . 1 8 8 PHE HB3 H 1 2.973 0.004 . . . . . . . 8 F HB3 . 52415 1
44 . 1 . 1 8 8 PHE HD1 H 1 7.245 0.003 . . . . . . . 8 F HD1 . 52415 1
45 . 1 . 1 8 8 PHE HD2 H 1 7.245 0.003 . . . . . . . 8 F HD2 . 52415 1
46 . 1 . 1 8 8 PHE HE1 H 1 7.312 0.004 . . . . . . . 8 F HE1 . 52415 1
47 . 1 . 1 8 8 PHE HE2 H 1 7.312 0.004 . . . . . . . 8 F HE2 . 52415 1
48 . 1 . 1 9 9 GLY H H 1 8.349 0.002 . . . . . . . 9 G HN . 52415 1
49 . 1 . 1 9 9 GLY HA2 H 1 3.920 0.002 . . . . . . . 9 G HA1 . 52415 1
50 . 1 . 1 9 9 GLY HA3 H 1 3.849 0.005 . . . . . . . 9 G HA2 . 52415 1
51 . 1 . 1 10 10 LYS H H 1 8.069 0.002 . . . . . . . 10 K HN . 52415 1
52 . 1 . 1 10 10 LYS HA H 1 4.323 0.003 . . . . . . . 10 K HA . 52415 1
53 . 1 . 1 10 10 LYS HB2 H 1 1.834 0.006 . . . . . . . 10 K HB2 . 52415 1
54 . 1 . 1 10 10 LYS HG2 H 1 1.396 0.006 . . . . . . . 10 K HG2 . 52415 1
55 . 1 . 1 10 10 LYS HD2 H 1 1.732 0.005 . . . . . . . 10 K HD2 . 52415 1
56 . 1 . 1 10 10 LYS HD3 H 1 1.647 0.003 . . . . . . . 10 K HD3 . 52415 1
57 . 1 . 1 10 10 LYS HE2 H 1 2.971 0.002 . . . . . . . 10 K HE2 . 52415 1
58 . 1 . 1 10 10 LYS HE3 H 1 2.971 0.002 . . . . . . . 10 K HE3 . 52415 1
59 . 1 . 1 10 10 LYS HZ1 H 1 7.518 0.001 . . . . . . . 10 K HZ1 . 52415 1
60 . 1 . 1 10 10 LYS HZ2 H 1 7.518 0.001 . . . . . . . 10 K HZ2 . 52415 1
61 . 1 . 1 10 10 LYS HZ3 H 1 7.518 0.001 . . . . . . . 10 K HZ2 . 52415 1
62 . 1 . 1 11 11 SER H H 1 8.300 0.001 . . . . . . . 11 S HN . 52415 1
63 . 1 . 1 11 11 SER HA H 1 4.453 0.005 . . . . . . . 11 S HA . 52415 1
64 . 1 . 1 11 11 SER HB2 H 1 3.837 0.002 . . . . . . . 11 S HB2 . 52415 1
65 . 1 . 1 11 11 SER HB3 H 1 3.837 0.002 . . . . . . . 11 S HB3 . 52415 1
66 . 1 . 1 12 12 VAL H H 1 8.093 0.001 . . . . . . . 12 V HN . 52415 1
67 . 1 . 1 12 12 VAL HA H 1 4.106 0.001 . . . . . . . 12 V HA . 52415 1
68 . 1 . 1 12 12 VAL HB H 1 2.033 0.003 . . . . . . . 12 V HB . 52415 1
69 . 1 . 1 12 12 VAL HG11 H 1 0.872 0.008 . . . . . . . 12 V HG11 . 52415 1
70 . 1 . 1 12 12 VAL HG12 H 1 0.872 0.008 . . . . . . . 12 V HG12 . 52415 1
71 . 1 . 1 12 12 VAL HG13 H 1 0.872 0.008 . . . . . . . 12 V HG13 . 52415 1
72 . 1 . 1 12 12 VAL HG21 H 1 0.838 0.007 . . . . . . . 12 V HG21 . 52415 1
73 . 1 . 1 12 12 VAL HG22 H 1 0.838 0.007 . . . . . . . 12 V HG22 . 52415 1
74 . 1 . 1 12 12 VAL HG23 H 1 0.838 0.007 . . . . . . . 12 V HG23 . 52415 1
75 . 1 . 1 13 13 ARG H H 1 8.304 0.001 . . . . . . . 13 R HN . 52415 1
76 . 1 . 1 13 13 ARG HA H 1 4.294 0.002 . . . . . . . 13 R HA . 52415 1
77 . 1 . 1 13 13 ARG HB2 H 1 1.801 0.001 . . . . . . . 13 R HB2 . 52415 1
78 . 1 . 1 13 13 ARG HB3 H 1 1.700 0.002 . . . . . . . 13 R HB3 . 52415 1
79 . 1 . 1 13 13 ARG HG2 H 1 1.608 0.004 . . . . . . . 13 R HG2 . 52415 1
80 . 1 . 1 13 13 ARG HG3 H 1 1.608 0.004 . . . . . . . 13 R HG3 . 52415 1
81 . 1 . 1 13 13 ARG HD2 H 1 3.153 0.002 . . . . . . . 13 R HD2 . 52415 1
82 . 1 . 1 13 13 ARG HD3 H 1 3.153 0.002 . . . . . . . 13 R HD3 . 52415 1
83 . 1 . 1 13 13 ARG HH11 H 1 7.174 0.001 . . . . . . . 13 R HH1 . 52415 1
84 . 1 . 1 13 13 ARG HH12 H 1 7.174 0.001 . . . . . . . 13 R HH1 . 52415 1
85 . 1 . 1 14 14 HIS H H 1 8.265 0.001 . . . . . . . 14 H HN . 52415 1
86 . 1 . 1 14 14 HIS HA H 1 4.525 0.003 . . . . . . . 14 H HA . 52415 1
87 . 1 . 1 14 14 HIS HB2 H 1 3.243 0.003 . . . . . . . 14 H HB2 . 52415 1
88 . 1 . 1 14 14 HIS HB3 H 1 3.091 0.002 . . . . . . . 14 H HB3 . 52415 1
89 . 1 . 1 14 14 HIS HD2 H 1 7.240 0.002 . . . . . . . 14 H HD2 . 52415 1
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