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 36347
_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 $Chemical_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' 1 $1mM_VV14_peptide isotropic 36347 1
2 '2D 1H-1H NOESY' 1 $1mM_VV14_peptide isotropic 36347 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 VAL HA H 1 3.759 0.002 . 1 . . . . A 1 VAL HA . 36347 1
2 . 1 . 1 1 1 VAL HG11 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG11 . 36347 1
3 . 1 . 1 1 1 VAL HG12 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG12 . 36347 1
4 . 1 . 1 1 1 VAL HG13 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG13 . 36347 1
5 . 1 . 1 1 1 VAL HG21 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG21 . 36347 1
6 . 1 . 1 1 1 VAL HG22 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG22 . 36347 1
7 . 1 . 1 1 1 VAL HG23 H 1 0.696 0.003 . 2 . . . . A 1 VAL HG23 . 36347 1
8 . 1 . 1 2 2 LYS H H 1 8.361 0.007 . 1 . . . . A 2 LYS H . 36347 1
9 . 1 . 1 2 2 LYS HA H 1 4.504 0.003 . 1 . . . . A 2 LYS HA . 36347 1
10 . 1 . 1 2 2 LYS HB2 H 1 1.731 0.002 . 2 . . . . A 2 LYS HB2 . 36347 1
11 . 1 . 1 2 2 LYS HB3 H 1 1.731 0.002 . 2 . . . . A 2 LYS HB3 . 36347 1
12 . 1 . 1 2 2 LYS HG2 H 1 1.307 0.005 . 2 . . . . A 2 LYS HG2 . 36347 1
13 . 1 . 1 2 2 LYS HG3 H 1 1.307 0.005 . 2 . . . . A 2 LYS HG3 . 36347 1
14 . 1 . 1 3 3 TRP H H 1 7.913 0.000 . 1 . . . . A 3 TRP H . 36347 1
15 . 1 . 1 3 3 TRP HA H 1 4.359 0.004 . 1 . . . . A 3 TRP HA . 36347 1
16 . 1 . 1 3 3 TRP HB2 H 1 3.183 0.002 . 1 . . . . A 3 TRP HB2 . 36347 1
17 . 1 . 1 3 3 TRP HB3 H 1 3.397 0.006 . 1 . . . . A 3 TRP HB3 . 36347 1
18 . 1 . 1 4 4 VAL H H 1 7.717 0.002 . 1 . . . . A 4 VAL H . 36347 1
19 . 1 . 1 4 4 VAL HA H 1 3.860 0.003 . 1 . . . . A 4 VAL HA . 36347 1
20 . 1 . 1 4 4 VAL HB H 1 1.954 0.001 . 1 . . . . A 4 VAL HB . 36347 1
21 . 1 . 1 4 4 VAL HG11 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG11 . 36347 1
22 . 1 . 1 4 4 VAL HG12 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG12 . 36347 1
23 . 1 . 1 4 4 VAL HG13 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG13 . 36347 1
24 . 1 . 1 4 4 VAL HG21 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG21 . 36347 1
25 . 1 . 1 4 4 VAL HG22 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG22 . 36347 1
26 . 1 . 1 4 4 VAL HG23 H 1 0.796 0.000 . 2 . . . . A 4 VAL HG23 . 36347 1
27 . 1 . 1 5 5 LYS H H 1 7.635 0.003 . 1 . . . . A 5 LYS H . 36347 1
28 . 1 . 1 5 5 LYS HA H 1 4.063 0.006 . 1 . . . . A 5 LYS HA . 36347 1
29 . 1 . 1 5 5 LYS HB2 H 1 1.953 0.008 . 2 . . . . A 5 LYS HB2 . 36347 1
30 . 1 . 1 5 5 LYS HB3 H 1 1.953 0.008 . 2 . . . . A 5 LYS HB3 . 36347 1
31 . 1 . 1 5 5 LYS HG2 H 1 1.374 0.043 . 2 . . . . A 5 LYS HG2 . 36347 1
32 . 1 . 1 5 5 LYS HG3 H 1 1.374 0.043 . 2 . . . . A 5 LYS HG3 . 36347 1
33 . 1 . 1 5 5 LYS HD2 H 1 1.511 0.000 . 2 . . . . A 5 LYS HD2 . 36347 1
34 . 1 . 1 5 5 LYS HD3 H 1 1.511 0.000 . 2 . . . . A 5 LYS HD3 . 36347 1
35 . 1 . 1 6 6 LYS H H 1 7.649 0.003 . 1 . . . . A 6 LYS H . 36347 1
36 . 1 . 1 6 6 LYS HA H 1 4.077 0.002 . 1 . . . . A 6 LYS HA . 36347 1
37 . 1 . 1 6 6 LYS HB2 H 1 1.954 0.002 . 2 . . . . A 6 LYS HB2 . 36347 1
38 . 1 . 1 6 6 LYS HB3 H 1 1.954 0.002 . 2 . . . . A 6 LYS HB3 . 36347 1
39 . 1 . 1 6 6 LYS HG2 H 1 1.372 0.000 . 2 . . . . A 6 LYS HG2 . 36347 1
40 . 1 . 1 6 6 LYS HG3 H 1 1.372 0.000 . 2 . . . . A 6 LYS HG3 . 36347 1
41 . 1 . 1 6 6 LYS HD2 H 1 1.515 0.003 . 2 . . . . A 6 LYS HD2 . 36347 1
42 . 1 . 1 6 6 LYS HD3 H 1 1.515 0.003 . 2 . . . . A 6 LYS HD3 . 36347 1
43 . 1 . 1 7 7 VAL H H 1 8.086 0.004 . 1 . . . . A 7 VAL H . 36347 1
44 . 1 . 1 7 7 VAL HA H 1 3.532 0.000 . 1 . . . . A 7 VAL HA . 36347 1
45 . 1 . 1 7 7 VAL HB H 1 2.131 0.004 . 1 . . . . A 7 VAL HB . 36347 1
46 . 1 . 1 7 7 VAL HG11 H 1 1.066 0.002 . 2 . . . . A 7 VAL HG11 . 36347 1
47 . 1 . 1 7 7 VAL HG12 H 1 1.066 0.002 . 2 . . . . A 7 VAL HG12 . 36347 1
48 . 1 . 1 7 7 VAL HG13 H 1 1.066 0.002 . 2 . . . . A 7 VAL HG13 . 36347 1
49 . 1 . 1 7 7 VAL HG21 H 1 0.951 0.005 . 2 . . . . A 7 VAL HG21 . 36347 1
50 . 1 . 1 7 7 VAL HG22 H 1 0.951 0.005 . 2 . . . . A 7 VAL HG22 . 36347 1
51 . 1 . 1 7 7 VAL HG23 H 1 0.951 0.005 . 2 . . . . A 7 VAL HG23 . 36347 1
52 . 1 . 1 8 8 VAL H H 1 7.611 0.001 . 1 . . . . A 8 VAL H . 36347 1
53 . 1 . 1 8 8 VAL HA H 1 3.868 0.001 . 1 . . . . A 8 VAL HA . 36347 1
54 . 1 . 1 8 8 VAL HB H 1 1.912 0.001 . 1 . . . . A 8 VAL HB . 36347 1
55 . 1 . 1 8 8 VAL HG11 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG11 . 36347 1
56 . 1 . 1 8 8 VAL HG12 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG12 . 36347 1
57 . 1 . 1 8 8 VAL HG13 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG13 . 36347 1
58 . 1 . 1 8 8 VAL HG21 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG21 . 36347 1
59 . 1 . 1 8 8 VAL HG22 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG22 . 36347 1
60 . 1 . 1 8 8 VAL HG23 H 1 1.201 0.002 . 2 . . . . A 8 VAL HG23 . 36347 1
61 . 1 . 1 9 9 LYS H H 1 8.018 0.002 . 1 . . . . A 9 LYS H . 36347 1
62 . 1 . 1 9 9 LYS HA H 1 3.990 0.003 . 1 . . . . A 9 LYS HA . 36347 1
63 . 1 . 1 9 9 LYS HB2 H 1 1.861 0.000 . 2 . . . . A 9 LYS HB2 . 36347 1
64 . 1 . 1 9 9 LYS HB3 H 1 1.861 0.000 . 2 . . . . A 9 LYS HB3 . 36347 1
65 . 1 . 1 9 9 LYS HG2 H 1 1.471 0.000 . 2 . . . . A 9 LYS HG2 . 36347 1
66 . 1 . 1 9 9 LYS HG3 H 1 1.471 0.000 . 2 . . . . A 9 LYS HG3 . 36347 1
67 . 1 . 1 9 9 LYS HD2 H 1 1.638 0.001 . 2 . . . . A 9 LYS HD2 . 36347 1
68 . 1 . 1 9 9 LYS HD3 H 1 1.638 0.001 . 2 . . . . A 9 LYS HD3 . 36347 1
69 . 1 . 1 10 10 TRP H H 1 8.002 0.007 . 1 . . . . A 10 TRP H . 36347 1
70 . 1 . 1 10 10 TRP HA H 1 4.354 0.002 . 1 . . . . A 10 TRP HA . 36347 1
71 . 1 . 1 10 10 TRP HB2 H 1 3.384 0.006 . 2 . . . . A 10 TRP HB2 . 36347 1
72 . 1 . 1 10 10 TRP HB3 H 1 3.384 0.006 . 2 . . . . A 10 TRP HB3 . 36347 1
73 . 1 . 1 11 11 VAL H H 1 8.646 0.005 . 1 . . . . A 11 VAL H . 36347 1
74 . 1 . 1 11 11 VAL HA H 1 3.534 0.002 . 1 . . . . A 11 VAL HA . 36347 1
75 . 1 . 1 11 11 VAL HB H 1 2.249 0.003 . 1 . . . . A 11 VAL HB . 36347 1
76 . 1 . 1 11 11 VAL HG11 H 1 1.175 0.003 . 2 . . . . A 11 VAL HG11 . 36347 1
77 . 1 . 1 11 11 VAL HG12 H 1 1.175 0.003 . 2 . . . . A 11 VAL HG12 . 36347 1
78 . 1 . 1 11 11 VAL HG13 H 1 1.175 0.003 . 2 . . . . A 11 VAL HG13 . 36347 1
79 . 1 . 1 11 11 VAL HG21 H 1 0.967 0.053 . 2 . . . . A 11 VAL HG21 . 36347 1
80 . 1 . 1 11 11 VAL HG22 H 1 0.967 0.053 . 2 . . . . A 11 VAL HG22 . 36347 1
81 . 1 . 1 11 11 VAL HG23 H 1 0.967 0.053 . 2 . . . . A 11 VAL HG23 . 36347 1
82 . 1 . 1 12 12 LYS H H 1 8.022 0.001 . 1 . . . . A 12 LYS H . 36347 1
83 . 1 . 1 12 12 LYS HA H 1 3.992 0.004 . 1 . . . . A 12 LYS HA . 36347 1
84 . 1 . 1 12 12 LYS HB2 H 1 1.861 0.004 . 2 . . . . A 12 LYS HB2 . 36347 1
85 . 1 . 1 12 12 LYS HB3 H 1 1.861 0.004 . 2 . . . . A 12 LYS HB3 . 36347 1
86 . 1 . 1 12 12 LYS HG2 H 1 1.464 0.000 . 2 . . . . A 12 LYS HG2 . 36347 1
87 . 1 . 1 12 12 LYS HG3 H 1 1.464 0.000 . 2 . . . . A 12 LYS HG3 . 36347 1
88 . 1 . 1 12 12 LYS HD2 H 1 1.639 0.004 . 2 . . . . A 12 LYS HD2 . 36347 1
89 . 1 . 1 12 12 LYS HD3 H 1 1.639 0.004 . 2 . . . . A 12 LYS HD3 . 36347 1
90 . 1 . 1 13 13 LYS H H 1 7.652 0.001 . 1 . . . . A 13 LYS H . 36347 1
91 . 1 . 1 13 13 LYS HA H 1 3.857 0.000 . 1 . . . . A 13 LYS HA . 36347 1
92 . 1 . 1 13 13 LYS HB2 H 1 1.830 0.000 . 2 . . . . A 13 LYS HB2 . 36347 1
93 . 1 . 1 13 13 LYS HB3 H 1 1.830 0.000 . 2 . . . . A 13 LYS HB3 . 36347 1
94 . 1 . 1 13 13 LYS HG2 H 1 1.370 0.000 . 2 . . . . A 13 LYS HG2 . 36347 1
95 . 1 . 1 13 13 LYS HG3 H 1 1.370 0.000 . 2 . . . . A 13 LYS HG3 . 36347 1
96 . 1 . 1 13 13 LYS HD2 H 1 1.513 0.000 . 2 . . . . A 13 LYS HD2 . 36347 1
97 . 1 . 1 13 13 LYS HD3 H 1 1.513 0.000 . 2 . . . . A 13 LYS HD3 . 36347 1
98 . 1 . 1 14 14 VAL H H 1 7.907 0.002 . 1 . . . . A 14 VAL H . 36347 1
99 . 1 . 1 14 14 VAL HA H 1 3.750 0.002 . 1 . . . . A 14 VAL HA . 36347 1
100 . 1 . 1 14 14 VAL HB H 1 2.334 0.002 . 1 . . . . A 14 VAL HB . 36347 1
101 . 1 . 1 14 14 VAL HG11 H 1 1.203 0.001 . 2 . . . . A 14 VAL HG11 . 36347 1
102 . 1 . 1 14 14 VAL HG12 H 1 1.203 0.001 . 2 . . . . A 14 VAL HG12 . 36347 1
103 . 1 . 1 14 14 VAL HG13 H 1 1.203 0.001 . 2 . . . . A 14 VAL HG13 . 36347 1
104 . 1 . 1 14 14 VAL HG21 H 1 1.048 0.001 . 2 . . . . A 14 VAL HG21 . 36347 1
105 . 1 . 1 14 14 VAL HG22 H 1 1.048 0.001 . 2 . . . . A 14 VAL HG22 . 36347 1
106 . 1 . 1 14 14 VAL HG23 H 1 1.048 0.001 . 2 . . . . A 14 VAL HG23 . 36347 1
stop_
save_