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 50529
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical_shift_list_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-1H TOCSY' . . . 50529 1
2 '2D 1H-1H NOESY' . . . 50529 1
stop_
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 . . 50529 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 2 2 TYR H H 1 8.609 0.007 . . . . . . . 2 Y H . 50529 1
2 . 1 . 1 2 2 TYR HA H 1 4.691 0.025 . . . . . . . 2 Y HA . 50529 1
3 . 1 . 1 2 2 TYR HB2 H 1 3.025 0.013 . . . . . . . 2 Y HB# . 50529 1
4 . 1 . 1 2 2 TYR HB3 H 1 3.025 0.013 . . . . . . . 2 Y HB# . 50529 1
5 . 1 . 1 2 2 TYR HD1 H 1 7.084 0.006 . . . . . . . 2 Y HD# . 50529 1
6 . 1 . 1 2 2 TYR HD2 H 1 7.084 0.006 . . . . . . . 2 Y HD# . 50529 1
7 . 1 . 1 2 2 TYR HE1 H 1 6.798 0.002 . . . . . . . 2 Y HE# . 50529 1
8 . 1 . 1 2 2 TYR HE2 H 1 6.798 0.002 . . . . . . . 2 Y HE# . 50529 1
9 . 1 . 1 3 3 CYS H H 1 8.307 0.007 . . . . . . . 3 C H . 50529 1
10 . 1 . 1 3 3 CYS HA H 1 5.205 0.018 . . . . . . . 3 C HA . 50529 1
11 . 1 . 1 3 3 CYS HB2 H 1 2.952 0.007 . . . . . . . 3 C HB1 . 50529 1
12 . 1 . 1 3 3 CYS HB3 H 1 2.827 0.008 . . . . . . . 3 C HB2 . 50529 1
13 . 1 . 1 4 4 SER H H 1 8.568 0.005 . . . . . . . 4 S H . 50529 1
14 . 1 . 1 4 4 SER HA H 1 4.407 0.017 . . . . . . . 4 S HA . 50529 1
15 . 1 . 1 4 4 SER HB2 H 1 4.227 0.002 . . . . . . . 4 S HB1 . 50529 1
16 . 1 . 1 4 4 SER HB3 H 1 4.064 0.026 . . . . . . . 4 S HB2 . 50529 1
17 . 1 . 1 5 5 ARG H H 1 8.512 0.003 . . . . . . . 5 R H . 50529 1
18 . 1 . 1 5 5 ARG HA H 1 4.435 0.006 . . . . . . . 5 R HA . 50529 1
19 . 1 . 1 5 5 ARG HB2 H 1 2.036 0.007 . . . . . . . 5 R HB# . 50529 1
20 . 1 . 1 5 5 ARG HB3 H 1 2.036 0.007 . . . . . . . 5 R HB# . 50529 1
21 . 1 . 1 5 5 ARG HG2 H 1 1.712 0.016 . . . . . . . 5 R HG# . 50529 1
22 . 1 . 1 5 5 ARG HG3 H 1 1.712 0.016 . . . . . . . 5 R HG# . 50529 1
23 . 1 . 1 5 5 ARG HD2 H 1 3.209 0.024 . . . . . . . 5 R HD# . 50529 1
24 . 1 . 1 5 5 ARG HD3 H 1 3.209 0.024 . . . . . . . 5 R HD# . 50529 1
25 . 1 . 1 5 5 ARG HH11 H 1 7.205 0.004 . . . . . . . 5 R HNE . 50529 1
26 . 1 . 1 5 5 ARG HH12 H 1 7.205 0.004 . . . . . . . 5 R HNE . 50529 1
27 . 1 . 1 5 5 ARG HH21 H 1 7.205 0.004 . . . . . . . 5 R HNE . 50529 1
28 . 1 . 1 5 5 ARG HH22 H 1 7.205 0.004 . . . . . . . 5 R HNE . 50529 1
29 . 1 . 1 6 6 SER H H 1 7.54 0.009 . . . . . . . 6 S H . 50529 1
30 . 1 . 1 6 6 SER HA H 1 4.374 0.008 . . . . . . . 6 S HA . 50529 1
31 . 1 . 1 6 6 SER HB2 H 1 3.874 0.008 . . . . . . . 6 S HB1 . 50529 1
32 . 1 . 1 6 6 SER HB3 H 1 3.785 0.009 . . . . . . . 6 S HB2 . 50529 1
33 . 1 . 1 7 7 TYR H H 1 8.438 0.012 . . . . . . . 7 Y H . 50529 1
34 . 1 . 1 7 7 TYR HA H 1 4.585 0.006 . . . . . . . 7 Y HA . 50529 1
35 . 1 . 1 7 7 TYR HB2 H 1 2.922 0.018 . . . . . . . 7 Y HB# . 50529 1
36 . 1 . 1 7 7 TYR HB3 H 1 2.922 0.018 . . . . . . . 7 Y HB# . 50529 1
37 . 1 . 1 7 7 TYR HD1 H 1 7.143 0.007 . . . . . . . 7 Y HD# . 50529 1
38 . 1 . 1 7 7 TYR HD2 H 1 7.143 0.007 . . . . . . . 7 Y HD# . 50529 1
39 . 1 . 1 7 7 TYR HE1 H 1 6.853 0.005 . . . . . . . 7 Y HE# . 50529 1
40 . 1 . 1 7 7 TYR HE2 H 1 6.853 0.005 . . . . . . . 7 Y HE# . 50529 1
41 . 1 . 1 8 8 PRO HA H 1 4.236 0.003 . . . . . . . 8 P HA . 50529 1
42 . 1 . 1 8 8 PRO HB2 H 1 2.077 0.003 . . . . . . . 8 P HB1 . 50529 1
43 . 1 . 1 8 8 PRO HB3 H 1 1.854 0.006 . . . . . . . 8 P HB2 . 50529 1
44 . 1 . 1 8 8 PRO HG2 H 1 2.348 0.009 . . . . . . . 8 P HG# . 50529 1
45 . 1 . 1 8 8 PRO HG3 H 1 2.348 0.009 . . . . . . . 8 P HG# . 50529 1
46 . 1 . 1 8 8 PRO HD2 H 1 3.651 0.006 . . . . . . . 8 P HD1 . 50529 1
47 . 1 . 1 8 8 PRO HD3 H 1 3.572 0.004 . . . . . . . 8 P HD2 . 50529 1
48 . 1 . 1 9 9 PRO HA H 1 4.242 0.007 . . . . . . . 9 P HA . 50529 1
49 . 1 . 1 9 9 PRO HB2 H 1 2.087 0.011 . . . . . . . 9 P HB1 . 50529 1
50 . 1 . 1 9 9 PRO HB3 H 1 1.786 0.004 . . . . . . . 9 P HB2 . 50529 1
51 . 1 . 1 9 9 PRO HG2 H 1 1.732 0.009 . . . . . . . 9 P HG# . 50529 1
52 . 1 . 1 9 9 PRO HG3 H 1 1.732 0.009 . . . . . . . 9 P HG# . 50529 1
53 . 1 . 1 9 9 PRO HD2 H 1 3.489 0.010 . . . . . . . 9 P HD1 . 50529 1
54 . 1 . 1 9 9 PRO HD3 H 1 3.365 0.001 . . . . . . . 9 P HD2 . 50529 1
55 . 1 . 1 10 10 VAL H H 1 8.1 0.011 . . . . . . . 10 V H . 50529 1
56 . 1 . 1 10 10 VAL HA H 1 4.19 0.007 . . . . . . . 10 V HA . 50529 1
57 . 1 . 1 10 10 VAL HB H 1 2.009 0.005 . . . . . . . 10 V HB . 50529 1
58 . 1 . 1 10 10 VAL HG11 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
59 . 1 . 1 10 10 VAL HG12 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
60 . 1 . 1 10 10 VAL HG13 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
61 . 1 . 1 10 10 VAL HG21 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
62 . 1 . 1 10 10 VAL HG22 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
63 . 1 . 1 10 10 VAL HG23 H 1 0.877 0.001 . . . . . . . 10 V HG## . 50529 1
64 . 1 . 1 11 11 CYS H H 1 8.933 0.004 . . . . . . . 11 C H . 50529 1
65 . 1 . 1 11 11 CYS HA H 1 5.392 0.007 . . . . . . . 11 C HA . 50529 1
66 . 1 . 1 11 11 CYS HB2 H 1 2.968 0.009 . . . . . . . 11 C HB# . 50529 1
67 . 1 . 1 11 11 CYS HB3 H 1 2.968 0.009 . . . . . . . 11 C HB# . 50529 1
68 . 1 . 1 12 12 ILE H H 1 8.673 0.011 . . . . . . . 12 I H . 50529 1
69 . 1 . 1 12 12 ILE HA H 1 4.596 0.006 . . . . . . . 12 I HA . 50529 1
70 . 1 . 1 12 12 ILE HB H 1 1.92 0.008 . . . . . . . 12 I HB . 50529 1
71 . 1 . 1 12 12 ILE HG12 H 1 1.231 0.041 . . . . . . . 12 I HG1# . 50529 1
72 . 1 . 1 12 12 ILE HG13 H 1 1.231 0.041 . . . . . . . 12 I HG1# . 50529 1
73 . 1 . 1 12 12 ILE HG21 H 1 0.986 0.020 . . . . . . . 12 I HG2# . 50529 1
74 . 1 . 1 12 12 ILE HG22 H 1 0.986 0.020 . . . . . . . 12 I HG2# . 50529 1
75 . 1 . 1 12 12 ILE HG23 H 1 0.986 0.020 . . . . . . . 12 I HG2# . 50529 1
76 . 1 . 1 13 13 PRO HA H 1 4.42 0.005 . . . . . . . 13 P HA . 50529 1
77 . 1 . 1 13 13 PRO HB2 H 1 2.042 0.008 . . . . . . . 13 P HB1 . 50529 1
78 . 1 . 1 13 13 PRO HB3 H 1 1.99 0.006 . . . . . . . 13 P HB2 . 50529 1
79 . 1 . 1 13 13 PRO HG2 H 1 2.262 0.005 . . . . . . . 13 P HG# . 50529 1
80 . 1 . 1 13 13 PRO HG3 H 1 2.262 0.005 . . . . . . . 13 P HG# . 50529 1
81 . 1 . 1 13 13 PRO HD2 H 1 3.849 0.012 . . . . . . . 13 P HD1 . 50529 1
82 . 1 . 1 13 13 PRO HD3 H 1 3.741 0.010 . . . . . . . 13 P HD2 . 50529 1
83 . 1 . 1 14 14 ASP H H 1 8.208 0.003 . . . . . . . 14 D H . 50529 1
84 . 1 . 1 14 14 ASP HA H 1 4.571 0.007 . . . . . . . 14 D HA . 50529 1
85 . 1 . 1 14 14 ASP HB2 H 1 2.859 0.021 . . . . . . . 14 D HB# . 50529 1
86 . 1 . 1 14 14 ASP HB3 H 1 2.859 0.021 . . . . . . . 14 D HB# . 50529 1
stop_
save_