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 50646
_Assigned_chem_shift_list.ID 1
_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' . . . 50646 1
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loop_
_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 . . 50646 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 TRP H H 1 7.3782 0.005 . 1 . . . . . 1 TRP H . 50646 1
2 . 1 . 1 1 1 TRP HA H 1 4.9282 0.001 . 1 . . . . . 1 TRP HA . 50646 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.2202 0.004 . 1 . . . . . 1 TRP HB2 . 50646 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.1662 0.005 . 1 . . . . . 1 TRP HB3 . 50646 1
5 . 1 . 1 1 1 TRP HD1 H 1 7.0852 0.001 . 1 . . . . . 1 TRP HD1 . 50646 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.3412 0.002 . 1 . . . . . 1 TRP HE1 . 50646 1
7 . 1 . 1 1 1 TRP HE3 H 1 6.9362 0.002 . 1 . . . . . 1 TRP HE3 . 50646 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.4622 0.005 . 1 . . . . . 1 TRP HZ2 . 50646 1
9 . 1 . 1 1 1 TRP HZ3 H 1 6.8642 0.003 . 1 . . . . . 1 TRP HZ3 . 50646 1
10 . 1 . 1 1 1 TRP HH2 H 1 7.0462 0.003 . 1 . . . . . 1 TRP HH2 . 50646 1
11 . 1 . 1 2 2 ARG H H 1 8.8052 0.001 . 1 . . . . . 2 ARG H . 50646 1
12 . 1 . 1 2 2 ARG HA H 1 4.1052 0.003 . 1 . . . . . 2 ARG HA . 50646 1
13 . 1 . 1 2 2 ARG HB2 H 1 1.8542 0.003 . 1 . . . . . 2 ARG HB2 . 50646 1
14 . 1 . 1 2 2 ARG HB3 H 1 1.8542 0.003 . 1 . . . . . 2 ARG HB3 . 50646 1
15 . 1 . 1 2 2 ARG HG2 H 1 1.7252 0.009 . 2 . . . . . 2 ARG HG2 . 50646 1
16 . 1 . 1 2 2 ARG HG3 H 1 1.6092 0.003 . 2 . . . . . 2 ARG HG3 . 50646 1
17 . 1 . 1 2 2 ARG HD2 H 1 3.2422 0.001 . 2 . . . . . 2 ARG HD2 . 50646 1
18 . 1 . 1 2 2 ARG HD3 H 1 3.2422 0.001 . 2 . . . . . 2 ARG HD3 . 50646 1
19 . 1 . 1 3 3 DAL H H 1 9.1782 0 . 1 . . . . . 3 ALA H . 50646 1
20 . 1 . 1 3 3 DAL HA H 1 4.4482 0.002 . 1 . . . . . 3 ALA HA . 50646 1
21 . 1 . 1 3 3 DAL HB1 H 1 1.3972 0.005 . 1 . . . . . 3 ALA MB . 50646 1
22 . 1 . 1 3 3 DAL HB2 H 1 1.3972 0.005 . 1 . . . . . 3 ALA MB . 50646 1
23 . 1 . 1 3 3 DAL HB3 H 1 1.3972 0.005 . 1 . . . . . 3 ALA MB . 50646 1
24 . 1 . 1 4 4 GLN H H 1 7.2562 0.001 . 1 . . . . . 4 GLN H . 50646 1
25 . 1 . 1 4 4 GLN HA H 1 3.6022 0.003 . 1 . . . . . 4 GLN HA . 50646 1
26 . 1 . 1 4 4 GLN HB2 H 1 1.3102 0.003 . 1 . . . . . 4 GLN HB2 . 50646 1
27 . 1 . 1 4 4 GLN HB3 H 1 0.4902 0.007 . 1 . . . . . 4 GLN HB3 . 50646 1
28 . 1 . 1 4 4 GLN HG2 H 1 1.4982 0.005 . 2 . . . . . 4 GLN HG2 . 50646 1
29 . 1 . 1 4 4 GLN HG3 H 1 1.7882 0.009 . 2 . . . . . 4 GLN HG3 . 50646 1
30 . 1 . 1 4 4 GLN HE21 H 1 7.9022 0.002 . 2 . . . . . 4 GLN HE21 . 50646 1
31 . 1 . 1 4 4 GLN HE22 H 1 7.2202 0.001 . 2 . . . . . 4 GLN HE22 . 50646 1
32 . 1 . 1 5 5 ARG H H 1 7.6412 0.003 . 1 . . . . . 5 ARG H . 50646 1
33 . 1 . 1 5 5 ARG HA H 1 4.8762 0.005 . 1 . . . . . 5 ARG HA . 50646 1
34 . 1 . 1 5 5 ARG HB2 H 1 1.5302 0.004 . 1 . . . . . 5 ARG HB2 . 50646 1
35 . 1 . 1 5 5 ARG HB3 H 1 1.5932 0.003 . 1 . . . . . 5 ARG HB3 . 50646 1
36 . 1 . 1 5 5 ARG HG2 H 1 1.3742 0.004 . 2 . . . . . 5 ARG HG2 . 50646 1
37 . 1 . 1 5 5 ARG HG3 H 1 1.4252 0.008 . 2 . . . . . 5 ARG HG3 . 50646 1
38 . 1 . 1 5 5 ARG HD2 H 1 3.1352 0.003 . 1 . . . . . 5 ARG HD2 . 50646 1
39 . 1 . 1 5 5 ARG HD3 H 1 3.1352 0.003 . 1 . . . . . 5 ARG HD3 . 50646 1
40 . 1 . 1 6 6 ARG H H 1 9.0292 0.001 . 1 . . . . . 6 ARG H . 50646 1
41 . 1 . 1 6 6 ARG HA H 1 4.6002 0.008 . 1 . . . . . 6 ARG HA . 50646 1
42 . 1 . 1 6 6 ARG HB2 H 1 2.0562 0.006 . 1 . . . . . 6 ARG HB2 . 50646 1
43 . 1 . 1 6 6 ARG HB3 H 1 2.1342 0.004 . 1 . . . . . 6 ARG HB3 . 50646 1
44 . 1 . 1 6 6 ARG HG2 H 1 1.6652 0.007 . 2 . . . . . 6 ARG HG2 . 50646 1
45 . 1 . 1 6 6 ARG HG3 H 1 1.8002 0.005 . 2 . . . . . 6 ARG HG3 . 50646 1
46 . 1 . 1 6 6 ARG HD2 H 1 3.2612 0.004 . 2 . . . . . 6 ARG HD2 . 50646 1
47 . 1 . 1 6 6 ARG HD3 H 1 3.3042 0.002 . 2 . . . . . 6 ARG HD3 . 50646 1
48 . 1 . 1 7 7 4J2 H H 1 9.5052 0.002 . 1 . . . . . 7 4J2 H . 50646 1
49 . 1 . 1 7 7 4J2 HA H 1 4.6592 0.002 . 1 . . . . . 7 4J2 HA . 50646 1
50 . 1 . 1 7 7 4J2 HB1 H 1 3.1112 0.005 . 1 . . . . . 7 4J2 HB1 . 50646 1
51 . 1 . 1 7 7 4J2 HB2 H 1 3.4172 0.011 . 1 . . . . . 7 4J2 HB2 . 50646 1
52 . 1 . 1 7 7 4J2 HD1 H 1 7.4822 0.004 . 1 . . . . . 7 4J2 HD1 . 50646 1
53 . 1 . 1 7 7 4J2 HD2 H 1 7.7282 0.002 . 1 . . . . . 7 4J2 HD2 . 50646 1
54 . 1 . 1 7 7 4J2 HE1 H 1 7.9512 0.001 . 1 . . . . . 7 4J2 HE1 . 50646 1
55 . 1 . 1 7 7 4J2 HE3 H 1 7.8812 0.002 . 1 . . . . . 7 4J2 HE3 . 50646 1
56 . 1 . 1 7 7 4J2 HE4 H 1 7.5672 0.009 . 1 . . . . . 7 4J2 HE4 . 50646 1
57 . 1 . 1 7 7 4J2 HZ2 H 1 7.9332 0.004 . 1 . . . . . 7 4J2 HZ2 . 50646 1
58 . 1 . 1 7 7 4J2 HZ23 H 1 7.5472 0.001 . 1 . . . . . 7 4J2 HZ23 . 50646 1
59 . 1 . 1 8 8 ARG H H 1 8.7882 0.005 . 1 . . . . . 8 ARG H . 50646 1
60 . 1 . 1 8 8 ARG HA H 1 3.8462 0.006 . 1 . . . . . 8 ARG HA . 50646 1
61 . 1 . 1 8 8 ARG HB2 H 1 1.0292 0.008 . 1 . . . . . 8 ARG HB2 . 50646 1
62 . 1 . 1 8 8 ARG HB3 H 1 1.5532 0.002 . 1 . . . . . 8 ARG HB3 . 50646 1
63 . 1 . 1 8 8 ARG HG2 H 1 -0.0118 0.01 . 2 . . . . . 8 ARG HG2 . 50646 1
64 . 1 . 1 8 8 ARG HG3 H 1 0.3672 0.012 . 2 . . . . . 8 ARG HG3 . 50646 1
65 . 1 . 1 8 8 ARG HD2 H 1 2.2752 0.004 . 2 . . . . . 8 ARG HD2 . 50646 1
66 . 1 . 1 8 8 ARG HD3 H 1 2.3202 0.006 . 2 . . . . . 8 ARG HD3 . 50646 1
67 . 1 . 1 9 9 PFF H H 1 8.2252 0.001 . 1 . . . . . 9 PFF H . 50646 1
68 . 1 . 1 9 9 PFF HA H 1 4.7262 0.011 . 1 . . . . . 9 PFF HA . 50646 1
69 . 1 . 1 9 9 PFF HB2 H 1 3.3672 0.004 . 1 . . . . . 9 PFF HB2 . 50646 1
70 . 1 . 1 9 9 PFF HB3 H 1 3.2382 0.004 . 1 . . . . . 9 PFF HB3 . 50646 1
71 . 1 . 1 9 9 PFF HD1 H 1 7.3492 0.003 . 1 . . . . . 9 PFF HD1 . 50646 1
72 . 1 . 1 9 9 PFF HD2 H 1 7.3492 0.003 . 1 . . . . . 9 PFF HD2 . 50646 1
73 . 1 . 1 9 9 PFF HE1 H 1 7.0232 0.003 . 1 . . . . . 9 PFF HE1 . 50646 1
74 . 1 . 1 9 9 PFF HE2 H 1 7.0232 0.003 . 1 . . . . . 9 PFF HE2 . 50646 1
75 . 1 . 1 10 10 ARG H H 1 8.2012 0.003 . 1 . . . . . 10 ARG H . 50646 1
76 . 1 . 1 10 10 ARG HA H 1 5.0112 0.006 . 1 . . . . . 10 ARG HA . 50646 1
77 . 1 . 1 10 10 ARG HB2 H 1 1.5292 0.005 . 1 . . . . . 10 ARG HB2 . 50646 1
78 . 1 . 1 10 10 ARG HB3 H 1 1.6742 0.005 . 1 . . . . . 10 ARG HB3 . 50646 1
79 . 1 . 1 10 10 ARG HG2 H 1 1.4162 0.007 . 2 . . . . . 10 ARG HG2 . 50646 1
80 . 1 . 1 10 10 ARG HG3 H 1 1.4882 0.007 . 2 . . . . . 10 ARG HG3 . 50646 1
81 . 1 . 1 10 10 ARG HD2 H 1 3.0622 0.002 . 1 . . . . . 10 ARG HD2 . 50646 1
82 . 1 . 1 10 10 ARG HD3 H 1 3.0622 0.002 . 1 . . . . . 10 ARG HD3 . 50646 1
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save_