Content for NMR-STAR saveframe, "assigned_chemical_shifts_5"
save_assigned_chemical_shifts_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5
_Assigned_chem_shift_list.Entry_ID 50421
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name 'Side chain methyls - pH 2.8'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_Assigned_chem_shift_list.Chem_shift_1H_err 0.07
_Assigned_chem_shift_list.Chem_shift_13C_err 0.20
_Assigned_chem_shift_list.Chem_shift_15N_err 0.44
_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 Shiftcor
_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
12 '2D 1H-13C HSQC' . . . 50421 5
20 '3D CCH-TOCSY' . . . 50421 5
21 '3D HCCH-TOCSY' . . . 50421 5
22 '3D (H)CCH-TOCSY' . . . 50421 5
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
4 $software_4 . . 50421 5
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 13 13 VAL HG11 H 1 0.507 . . . . . . . . 13 V HG11 . 50421 5
2 . 1 . 1 13 13 VAL HG12 H 1 0.507 . . . . . . . . 13 V HG11 . 50421 5
3 . 1 . 1 13 13 VAL HG13 H 1 0.507 . . . . . . . . 13 V HG11 . 50421 5
4 . 1 . 1 13 13 VAL HG21 H 1 0.159 . . . . . . . . 13 V HG21 . 50421 5
5 . 1 . 1 13 13 VAL HG22 H 1 0.159 . . . . . . . . 13 V HG21 . 50421 5
6 . 1 . 1 13 13 VAL HG23 H 1 0.159 . . . . . . . . 13 V HG21 . 50421 5
7 . 1 . 1 13 13 VAL CG1 C 13 20.374 . . . . . . . . 13 V CG1 . 50421 5
8 . 1 . 1 13 13 VAL CG2 C 13 23.799 . . . . . . . . 13 V CG2 . 50421 5
9 . 1 . 1 22 22 LEU HD11 H 1 0.823 . . . . . . . . 22 L HD11 . 50421 5
10 . 1 . 1 22 22 LEU HD12 H 1 0.823 . . . . . . . . 22 L HD11 . 50421 5
11 . 1 . 1 22 22 LEU HD13 H 1 0.823 . . . . . . . . 22 L HD11 . 50421 5
12 . 1 . 1 22 22 LEU HD21 H 1 0.716 . . . . . . . . 22 L HD21 . 50421 5
13 . 1 . 1 22 22 LEU HD22 H 1 0.716 . . . . . . . . 22 L HD21 . 50421 5
14 . 1 . 1 22 22 LEU HD23 H 1 0.716 . . . . . . . . 22 L HD21 . 50421 5
15 . 1 . 1 22 22 LEU CD1 C 13 22.239 . . . . . . . . 22 L CD1 . 50421 5
16 . 1 . 1 22 22 LEU CD2 C 13 25.573 . . . . . . . . 22 L CD2 . 50421 5
17 . 1 . 1 24 24 VAL HG11 H 1 1.047 . . . . . . . . 24 V HG11 . 50421 5
18 . 1 . 1 24 24 VAL HG12 H 1 1.047 . . . . . . . . 24 V HG11 . 50421 5
19 . 1 . 1 24 24 VAL HG13 H 1 1.047 . . . . . . . . 24 V HG11 . 50421 5
20 . 1 . 1 24 24 VAL HG21 H 1 1.005 . . . . . . . . 24 V HG21 . 50421 5
21 . 1 . 1 24 24 VAL HG22 H 1 1.005 . . . . . . . . 24 V HG21 . 50421 5
22 . 1 . 1 24 24 VAL HG23 H 1 1.005 . . . . . . . . 24 V HG21 . 50421 5
23 . 1 . 1 24 24 VAL CG1 C 13 21.712 . . . . . . . . 24 V CG1 . 50421 5
24 . 1 . 1 24 24 VAL CG2 C 13 23.752 . . . . . . . . 24 V CG2 . 50421 5
25 . 1 . 1 33 33 VAL HG11 H 1 1.265 . . . . . . . . 33 V HG11 . 50421 5
26 . 1 . 1 33 33 VAL HG12 H 1 1.265 . . . . . . . . 33 V HG11 . 50421 5
27 . 1 . 1 33 33 VAL HG13 H 1 1.265 . . . . . . . . 33 V HG11 . 50421 5
28 . 1 . 1 33 33 VAL HG21 H 1 0.872 . . . . . . . . 33 V HG21 . 50421 5
29 . 1 . 1 33 33 VAL HG22 H 1 0.872 . . . . . . . . 33 V HG21 . 50421 5
30 . 1 . 1 33 33 VAL HG23 H 1 0.872 . . . . . . . . 33 V HG21 . 50421 5
31 . 1 . 1 33 33 VAL CG1 C 13 24.560 . . . . . . . . 33 V CG1 . 50421 5
32 . 1 . 1 33 33 VAL CG2 C 13 21.390 . . . . . . . . 33 V CG2 . 50421 5
33 . 1 . 1 39 39 LEU HD11 H 1 0.598 . . . . . . . . 39 L HD11 . 50421 5
34 . 1 . 1 39 39 LEU HD12 H 1 0.598 . . . . . . . . 39 L HD11 . 50421 5
35 . 1 . 1 39 39 LEU HD13 H 1 0.598 . . . . . . . . 39 L HD11 . 50421 5
36 . 1 . 1 39 39 LEU HD21 H 1 0.492 . . . . . . . . 39 L HD21 . 50421 5
37 . 1 . 1 39 39 LEU HD22 H 1 0.492 . . . . . . . . 39 L HD21 . 50421 5
38 . 1 . 1 39 39 LEU HD23 H 1 0.492 . . . . . . . . 39 L HD21 . 50421 5
39 . 1 . 1 39 39 LEU CD1 C 13 25.246 . . . . . . . . 39 L CD1 . 50421 5
40 . 1 . 1 39 39 LEU CD2 C 13 23.645 . . . . . . . . 39 L CD2 . 50421 5
41 . 1 . 1 49 49 VAL HG11 H 1 0.737 . . . . . . . . 49 V HG11 . 50421 5
42 . 1 . 1 49 49 VAL HG12 H 1 0.737 . . . . . . . . 49 V HG11 . 50421 5
43 . 1 . 1 49 49 VAL HG13 H 1 0.737 . . . . . . . . 49 V HG11 . 50421 5
44 . 1 . 1 49 49 VAL HG21 H 1 0.821 . . . . . . . . 49 V HG21 . 50421 5
45 . 1 . 1 49 49 VAL HG22 H 1 0.821 . . . . . . . . 49 V HG21 . 50421 5
46 . 1 . 1 49 49 VAL HG23 H 1 0.821 . . . . . . . . 49 V HG21 . 50421 5
47 . 1 . 1 49 49 VAL CG1 C 13 21.255 . . . . . . . . 49 V CG1 . 50421 5
48 . 1 . 1 49 49 VAL CG2 C 13 20.310 . . . . . . . . 49 V CG2 . 50421 5
49 . 1 . 1 50 50 LEU HD11 H 1 0.216 . . . . . . . . 50 L HD11 . 50421 5
50 . 1 . 1 50 50 LEU HD12 H 1 0.216 . . . . . . . . 50 L HD11 . 50421 5
51 . 1 . 1 50 50 LEU HD13 H 1 0.216 . . . . . . . . 50 L HD11 . 50421 5
52 . 1 . 1 50 50 LEU HD21 H 1 0.555 . . . . . . . . 50 L HD21 . 50421 5
53 . 1 . 1 50 50 LEU HD22 H 1 0.555 . . . . . . . . 50 L HD21 . 50421 5
54 . 1 . 1 50 50 LEU HD23 H 1 0.555 . . . . . . . . 50 L HD21 . 50421 5
55 . 1 . 1 50 50 LEU CD1 C 13 23.132 . . . . . . . . 50 L CD1 . 50421 5
56 . 1 . 1 50 50 LEU CD2 C 13 26.527 . . . . . . . . 50 L CD2 . 50421 5
57 . 1 . 1 52 52 VAL HG11 H 1 0.435 . . . . . . . . 52 V HG11 . 50421 5
58 . 1 . 1 52 52 VAL HG12 H 1 0.435 . . . . . . . . 52 V HG11 . 50421 5
59 . 1 . 1 52 52 VAL HG13 H 1 0.435 . . . . . . . . 52 V HG11 . 50421 5
60 . 1 . 1 52 52 VAL HG21 H 1 0.834 . . . . . . . . 52 V HG21 . 50421 5
61 . 1 . 1 52 52 VAL HG22 H 1 0.834 . . . . . . . . 52 V HG21 . 50421 5
62 . 1 . 1 52 52 VAL HG23 H 1 0.834 . . . . . . . . 52 V HG21 . 50421 5
63 . 1 . 1 52 52 VAL CG1 C 13 21.271 . . . . . . . . 52 V CG1 . 50421 5
64 . 1 . 1 52 52 VAL CG2 C 13 21.378 . . . . . . . . 52 V CG2 . 50421 5
65 . 1 . 1 55 55 ILE HD11 H 1 0.719 . . . . . . . . 55 I HD11 . 50421 5
66 . 1 . 1 55 55 ILE HD12 H 1 0.719 . . . . . . . . 55 I HD11 . 50421 5
67 . 1 . 1 55 55 ILE HD13 H 1 0.719 . . . . . . . . 55 I HD11 . 50421 5
68 . 1 . 1 55 55 ILE CD1 C 13 12.929 . . . . . . . . 55 I CD1 . 50421 5
69 . 1 . 1 58 58 VAL HG11 H 1 0.973 . . . . . . . . 58 V HG11 . 50421 5
70 . 1 . 1 58 58 VAL HG12 H 1 0.973 . . . . . . . . 58 V HG11 . 50421 5
71 . 1 . 1 58 58 VAL HG13 H 1 0.973 . . . . . . . . 58 V HG11 . 50421 5
72 . 1 . 1 58 58 VAL HG21 H 1 0.955 . . . . . . . . 58 V HG21 . 50421 5
73 . 1 . 1 58 58 VAL HG22 H 1 0.955 . . . . . . . . 58 V HG21 . 50421 5
74 . 1 . 1 58 58 VAL HG23 H 1 0.955 . . . . . . . . 58 V HG21 . 50421 5
75 . 1 . 1 58 58 VAL CG1 C 13 21.690 . . . . . . . . 58 V CG1 . 50421 5
76 . 1 . 1 58 58 VAL CG2 C 13 22.459 . . . . . . . . 58 V CG2 . 50421 5
77 . 1 . 1 62 62 ILE HD11 H 1 0.865 . . . . . . . . 62 I HD11 . 50421 5
78 . 1 . 1 62 62 ILE HD12 H 1 0.865 . . . . . . . . 62 I HD11 . 50421 5
79 . 1 . 1 62 62 ILE HD13 H 1 0.865 . . . . . . . . 62 I HD11 . 50421 5
80 . 1 . 1 62 62 ILE CD1 C 13 17.205 . . . . . . . . 62 I CD1 . 50421 5
81 . 1 . 1 63 63 VAL HG11 H 1 0.859 . . . . . . . . 63 V HG11 . 50421 5
82 . 1 . 1 63 63 VAL HG12 H 1 0.859 . . . . . . . . 63 V HG11 . 50421 5
83 . 1 . 1 63 63 VAL HG13 H 1 0.859 . . . . . . . . 63 V HG11 . 50421 5
84 . 1 . 1 63 63 VAL HG21 H 1 1.084 . . . . . . . . 63 V HG21 . 50421 5
85 . 1 . 1 63 63 VAL HG22 H 1 1.084 . . . . . . . . 63 V HG21 . 50421 5
86 . 1 . 1 63 63 VAL HG23 H 1 1.084 . . . . . . . . 63 V HG21 . 50421 5
87 . 1 . 1 63 63 VAL CG1 C 13 20.782 . . . . . . . . 63 V CG1 . 50421 5
88 . 1 . 1 63 63 VAL CG2 C 13 23.107 . . . . . . . . 63 V CG2 . 50421 5
89 . 1 . 1 78 78 VAL HG11 H 1 0.661 . . . . . . . . 78 V HG11 . 50421 5
90 . 1 . 1 78 78 VAL HG12 H 1 0.661 . . . . . . . . 78 V HG11 . 50421 5
91 . 1 . 1 78 78 VAL HG13 H 1 0.661 . . . . . . . . 78 V HG11 . 50421 5
92 . 1 . 1 78 78 VAL HG21 H 1 0.027 . . . . . . . . 78 V HG21 . 50421 5
93 . 1 . 1 78 78 VAL HG22 H 1 0.027 . . . . . . . . 78 V HG21 . 50421 5
94 . 1 . 1 78 78 VAL HG23 H 1 0.027 . . . . . . . . 78 V HG21 . 50421 5
95 . 1 . 1 78 78 VAL CG1 C 13 20.813 . . . . . . . . 78 V CG1 . 50421 5
96 . 1 . 1 78 78 VAL CG2 C 13 23.435 . . . . . . . . 78 V CG2 . 50421 5
97 . 1 . 1 85 85 ILE HD11 H 1 0.435 . . . . . . . . 85 I HD11 . 50421 5
98 . 1 . 1 85 85 ILE HD12 H 1 0.435 . . . . . . . . 85 I HD11 . 50421 5
99 . 1 . 1 85 85 ILE HD13 H 1 0.435 . . . . . . . . 85 I HD11 . 50421 5
100 . 1 . 1 85 85 ILE CD1 C 13 13.007 . . . . . . . . 85 I CD1 . 50421 5
stop_
save_