Content for NMR-STAR saveframe, "assigned_chemical_shifts_4"
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 50421
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'Side chain methyls - pH 2.6'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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
11 '2D 1H-13C HSQC' . . . 50421 4
20 '3D CCH-TOCSY' . . . 50421 4
21 '3D HCCH-TOCSY' . . . 50421 4
22 '3D (H)CCH-TOCSY' . . . 50421 4
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 4
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 0.547 . . . . . . . . 13 V HG11 . 50421 4
2 . 1 . 1 13 13 VAL HG12 H 1 0.547 . . . . . . . . 13 V HG11 . 50421 4
3 . 1 . 1 13 13 VAL HG13 H 1 0.547 . . . . . . . . 13 V HG11 . 50421 4
4 . 1 . 1 13 13 VAL HG21 H 1 0.188 . . . . . . . . 13 V HG21 . 50421 4
5 . 1 . 1 13 13 VAL HG22 H 1 0.188 . . . . . . . . 13 V HG21 . 50421 4
6 . 1 . 1 13 13 VAL HG23 H 1 0.188 . . . . . . . . 13 V HG21 . 50421 4
7 . 1 . 1 13 13 VAL CG1 C 13 20.351 . . . . . . . . 13 V CG1 . 50421 4
8 . 1 . 1 13 13 VAL CG2 C 13 23.752 . . . . . . . . 13 V CG2 . 50421 4
9 . 1 . 1 22 22 LEU HD11 H 1 0.863 . . . . . . . . 22 L HD11 . 50421 4
10 . 1 . 1 22 22 LEU HD12 H 1 0.863 . . . . . . . . 22 L HD11 . 50421 4
11 . 1 . 1 22 22 LEU HD13 H 1 0.863 . . . . . . . . 22 L HD11 . 50421 4
12 . 1 . 1 22 22 LEU HD21 H 1 0.750 . . . . . . . . 22 L HD21 . 50421 4
13 . 1 . 1 22 22 LEU HD22 H 1 0.750 . . . . . . . . 22 L HD21 . 50421 4
14 . 1 . 1 22 22 LEU HD23 H 1 0.750 . . . . . . . . 22 L HD21 . 50421 4
15 . 1 . 1 22 22 LEU CD1 C 13 22.268 . . . . . . . . 22 L CD1 . 50421 4
16 . 1 . 1 22 22 LEU CD2 C 13 25.575 . . . . . . . . 22 L CD2 . 50421 4
17 . 1 . 1 24 24 VAL HG11 H 1 1.087 . . . . . . . . 24 V HG11 . 50421 4
18 . 1 . 1 24 24 VAL HG12 H 1 1.087 . . . . . . . . 24 V HG11 . 50421 4
19 . 1 . 1 24 24 VAL HG13 H 1 1.087 . . . . . . . . 24 V HG11 . 50421 4
20 . 1 . 1 24 24 VAL HG21 H 1 1.044 . . . . . . . . 24 V HG21 . 50421 4
21 . 1 . 1 24 24 VAL HG22 H 1 1.044 . . . . . . . . 24 V HG21 . 50421 4
22 . 1 . 1 24 24 VAL HG23 H 1 1.044 . . . . . . . . 24 V HG21 . 50421 4
23 . 1 . 1 24 24 VAL CG1 C 13 21.715 . . . . . . . . 24 V CG1 . 50421 4
24 . 1 . 1 24 24 VAL CG2 C 13 23.723 . . . . . . . . 24 V CG2 . 50421 4
25 . 1 . 1 33 33 VAL HG11 H 1 1.303 . . . . . . . . 33 V HG11 . 50421 4
26 . 1 . 1 33 33 VAL HG12 H 1 1.303 . . . . . . . . 33 V HG11 . 50421 4
27 . 1 . 1 33 33 VAL HG13 H 1 1.303 . . . . . . . . 33 V HG11 . 50421 4
28 . 1 . 1 33 33 VAL HG21 H 1 0.914 . . . . . . . . 33 V HG21 . 50421 4
29 . 1 . 1 33 33 VAL HG22 H 1 0.914 . . . . . . . . 33 V HG21 . 50421 4
30 . 1 . 1 33 33 VAL HG23 H 1 0.914 . . . . . . . . 33 V HG21 . 50421 4
31 . 1 . 1 33 33 VAL CG1 C 13 24.530 . . . . . . . . 33 V CG1 . 50421 4
32 . 1 . 1 33 33 VAL CG2 C 13 21.390 . . . . . . . . 33 V CG2 . 50421 4
33 . 1 . 1 39 39 LEU HD11 H 1 0.628 . . . . . . . . 39 L HD11 . 50421 4
34 . 1 . 1 39 39 LEU HD12 H 1 0.628 . . . . . . . . 39 L HD11 . 50421 4
35 . 1 . 1 39 39 LEU HD13 H 1 0.628 . . . . . . . . 39 L HD11 . 50421 4
36 . 1 . 1 39 39 LEU HD21 H 1 0.519 . . . . . . . . 39 L HD21 . 50421 4
37 . 1 . 1 39 39 LEU HD22 H 1 0.519 . . . . . . . . 39 L HD21 . 50421 4
38 . 1 . 1 39 39 LEU HD23 H 1 0.519 . . . . . . . . 39 L HD21 . 50421 4
39 . 1 . 1 39 39 LEU CD1 C 13 25.243 . . . . . . . . 39 L CD1 . 50421 4
40 . 1 . 1 39 39 LEU CD2 C 13 23.613 . . . . . . . . 39 L CD2 . 50421 4
41 . 1 . 1 49 49 VAL HG11 H 1 0.777 . . . . . . . . 49 V HG11 . 50421 4
42 . 1 . 1 49 49 VAL HG12 H 1 0.777 . . . . . . . . 49 V HG11 . 50421 4
43 . 1 . 1 49 49 VAL HG13 H 1 0.777 . . . . . . . . 49 V HG11 . 50421 4
44 . 1 . 1 49 49 VAL HG21 H 1 0.863 . . . . . . . . 49 V HG21 . 50421 4
45 . 1 . 1 49 49 VAL HG22 H 1 0.863 . . . . . . . . 49 V HG21 . 50421 4
46 . 1 . 1 49 49 VAL HG23 H 1 0.863 . . . . . . . . 49 V HG21 . 50421 4
47 . 1 . 1 49 49 VAL CG1 C 13 21.274 . . . . . . . . 49 V CG1 . 50421 4
48 . 1 . 1 49 49 VAL CG2 C 13 20.359 . . . . . . . . 49 V CG2 . 50421 4
49 . 1 . 1 50 50 LEU HD11 H 1 0.236 . . . . . . . . 50 L HD11 . 50421 4
50 . 1 . 1 50 50 LEU HD12 H 1 0.236 . . . . . . . . 50 L HD11 . 50421 4
51 . 1 . 1 50 50 LEU HD13 H 1 0.236 . . . . . . . . 50 L HD11 . 50421 4
52 . 1 . 1 50 50 LEU HD21 H 1 0.583 . . . . . . . . 50 L HD21 . 50421 4
53 . 1 . 1 50 50 LEU HD22 H 1 0.583 . . . . . . . . 50 L HD21 . 50421 4
54 . 1 . 1 50 50 LEU HD23 H 1 0.583 . . . . . . . . 50 L HD21 . 50421 4
55 . 1 . 1 50 50 LEU CD1 C 13 23.088 . . . . . . . . 50 L CD1 . 50421 4
56 . 1 . 1 50 50 LEU CD2 C 13 26.520 . . . . . . . . 50 L CD2 . 50421 4
57 . 1 . 1 52 52 VAL HG11 H 1 0.472 . . . . . . . . 52 V HG11 . 50421 4
58 . 1 . 1 52 52 VAL HG12 H 1 0.472 . . . . . . . . 52 V HG11 . 50421 4
59 . 1 . 1 52 52 VAL HG13 H 1 0.472 . . . . . . . . 52 V HG11 . 50421 4
60 . 1 . 1 52 52 VAL HG21 H 1 0.877 . . . . . . . . 52 V HG21 . 50421 4
61 . 1 . 1 52 52 VAL HG22 H 1 0.877 . . . . . . . . 52 V HG21 . 50421 4
62 . 1 . 1 52 52 VAL HG23 H 1 0.877 . . . . . . . . 52 V HG21 . 50421 4
63 . 1 . 1 52 52 VAL CG1 C 13 21.260 . . . . . . . . 52 V CG1 . 50421 4
64 . 1 . 1 52 52 VAL CG2 C 13 21.292 . . . . . . . . 52 V CG2 . 50421 4
65 . 1 . 1 55 55 ILE HD11 H 1 0.695 . . . . . . . . 55 I HD11 . 50421 4
66 . 1 . 1 55 55 ILE HD12 H 1 0.695 . . . . . . . . 55 I HD11 . 50421 4
67 . 1 . 1 55 55 ILE HD13 H 1 0.695 . . . . . . . . 55 I HD11 . 50421 4
68 . 1 . 1 55 55 ILE CD1 C 13 13.485 . . . . . . . . 55 I CD1 . 50421 4
69 . 1 . 1 58 58 VAL HG11 H 1 1.008 . . . . . . . . 58 V HG11 . 50421 4
70 . 1 . 1 58 58 VAL HG12 H 1 1.008 . . . . . . . . 58 V HG11 . 50421 4
71 . 1 . 1 58 58 VAL HG13 H 1 1.008 . . . . . . . . 58 V HG11 . 50421 4
72 . 1 . 1 58 58 VAL HG21 H 1 0.992 . . . . . . . . 58 V HG21 . 50421 4
73 . 1 . 1 58 58 VAL HG22 H 1 0.992 . . . . . . . . 58 V HG21 . 50421 4
74 . 1 . 1 58 58 VAL HG23 H 1 0.992 . . . . . . . . 58 V HG21 . 50421 4
75 . 1 . 1 58 58 VAL CG1 C 13 21.672 . . . . . . . . 58 V CG1 . 50421 4
76 . 1 . 1 58 58 VAL CG2 C 13 22.438 . . . . . . . . 58 V CG2 . 50421 4
77 . 1 . 1 62 62 ILE HD11 H 1 0.901 . . . . . . . . 62 I HD11 . 50421 4
78 . 1 . 1 62 62 ILE HD12 H 1 0.901 . . . . . . . . 62 I HD11 . 50421 4
79 . 1 . 1 62 62 ILE HD13 H 1 0.901 . . . . . . . . 62 I HD11 . 50421 4
80 . 1 . 1 62 62 ILE CD1 C 13 17.178 . . . . . . . . 62 I CD1 . 50421 4
81 . 1 . 1 63 63 VAL HG11 H 1 0.901 . . . . . . . . 63 V HG11 . 50421 4
82 . 1 . 1 63 63 VAL HG12 H 1 0.901 . . . . . . . . 63 V HG11 . 50421 4
83 . 1 . 1 63 63 VAL HG13 H 1 0.901 . . . . . . . . 63 V HG11 . 50421 4
84 . 1 . 1 63 63 VAL HG21 H 1 1.124 . . . . . . . . 63 V HG21 . 50421 4
85 . 1 . 1 63 63 VAL HG22 H 1 1.124 . . . . . . . . 63 V HG21 . 50421 4
86 . 1 . 1 63 63 VAL HG23 H 1 1.124 . . . . . . . . 63 V HG21 . 50421 4
87 . 1 . 1 63 63 VAL CG1 C 13 20.774 . . . . . . . . 63 V CG1 . 50421 4
88 . 1 . 1 63 63 VAL CG2 C 13 23.106 . . . . . . . . 63 V CG2 . 50421 4
89 . 1 . 1 78 78 VAL HG11 H 1 0.696 . . . . . . . . 78 V HG11 . 50421 4
90 . 1 . 1 78 78 VAL HG12 H 1 0.696 . . . . . . . . 78 V HG11 . 50421 4
91 . 1 . 1 78 78 VAL HG13 H 1 0.696 . . . . . . . . 78 V HG11 . 50421 4
92 . 1 . 1 78 78 VAL HG21 H 1 0.054 . . . . . . . . 78 V HG21 . 50421 4
93 . 1 . 1 78 78 VAL HG22 H 1 0.054 . . . . . . . . 78 V HG21 . 50421 4
94 . 1 . 1 78 78 VAL HG23 H 1 0.054 . . . . . . . . 78 V HG21 . 50421 4
95 . 1 . 1 78 78 VAL CG1 C 13 20.809 . . . . . . . . 78 V CG1 . 50421 4
96 . 1 . 1 78 78 VAL CG2 C 13 23.414 . . . . . . . . 78 V CG2 . 50421 4
97 . 1 . 1 85 85 ILE HD11 H 1 0.459 . . . . . . . . 85 I HD11 . 50421 4
98 . 1 . 1 85 85 ILE HD12 H 1 0.459 . . . . . . . . 85 I HD11 . 50421 4
99 . 1 . 1 85 85 ILE HD13 H 1 0.459 . . . . . . . . 85 I HD11 . 50421 4
100 . 1 . 1 85 85 ILE CD1 C 13 13.014 . . . . . . . . 85 I CD1 . 50421 4
stop_
save_