Content for NMR-STAR saveframe, "assigned_chem_shift_list_3"
save_assigned_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 12003
_Assigned_chem_shift_list.ID 3
_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 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.03
_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
3 '2D 1H-13C HMQC' 3 $sample_3 isotropic 12003 3
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 . 3 3 6 6 LEU HD11 H 1 0.941 0.005 . 1 . . . . 32 LEU MD1 . 12003 3
2 . 3 3 6 6 LEU HD12 H 1 0.941 0.005 . 1 . . . . 32 LEU MD1 . 12003 3
3 . 3 3 6 6 LEU HD13 H 1 0.941 0.005 . 1 . . . . 32 LEU MD1 . 12003 3
4 . 3 3 6 6 LEU HD21 H 1 0.919 0.005 . 1 . . . . 32 LEU MD2 . 12003 3
5 . 3 3 6 6 LEU HD22 H 1 0.919 0.005 . 1 . . . . 32 LEU MD2 . 12003 3
6 . 3 3 6 6 LEU HD23 H 1 0.919 0.005 . 1 . . . . 32 LEU MD2 . 12003 3
7 . 3 3 6 6 LEU CD1 C 13 25.95 0.03 . 1 . . . . 32 LEU CD1 . 12003 3
8 . 3 3 6 6 LEU CD2 C 13 25.25 0.03 . 1 . . . . 32 LEU CD2 . 12003 3
9 . 3 3 13 13 VAL HG11 H 1 0.897 0.005 . 5 . . . . 39 VAL MG1 . 12003 3
10 . 3 3 13 13 VAL HG12 H 1 0.897 0.005 . 5 . . . . 39 VAL MG1 . 12003 3
11 . 3 3 13 13 VAL HG13 H 1 0.897 0.005 . 5 . . . . 39 VAL MG1 . 12003 3
12 . 3 3 13 13 VAL HG21 H 1 1.011 0.005 . 5 . . . . 39 VAL MG2 . 12003 3
13 . 3 3 13 13 VAL HG22 H 1 1.011 0.005 . 5 . . . . 39 VAL MG2 . 12003 3
14 . 3 3 13 13 VAL HG23 H 1 1.011 0.005 . 5 . . . . 39 VAL MG2 . 12003 3
15 . 3 3 13 13 VAL CG1 C 13 21.91 0.03 . 1 . . . . 39 VAL CG1 . 12003 3
16 . 3 3 13 13 VAL CG2 C 13 24.23 0.03 . 1 . . . . 39 VAL CG2 . 12003 3
17 . 3 3 16 16 VAL HG11 H 1 1.156 0.005 . 1 . . . . 42 VAL MG1 . 12003 3
18 . 3 3 16 16 VAL HG12 H 1 1.156 0.005 . 1 . . . . 42 VAL MG1 . 12003 3
19 . 3 3 16 16 VAL HG13 H 1 1.156 0.005 . 1 . . . . 42 VAL MG1 . 12003 3
20 . 3 3 16 16 VAL HG21 H 1 1.188 0.005 . 1 . . . . 42 VAL MG2 . 12003 3
21 . 3 3 16 16 VAL HG22 H 1 1.188 0.005 . 1 . . . . 42 VAL MG2 . 12003 3
22 . 3 3 16 16 VAL HG23 H 1 1.188 0.005 . 1 . . . . 42 VAL MG2 . 12003 3
23 . 3 3 16 16 VAL CG1 C 13 24.22 0.03 . 1 . . . . 42 VAL CG1 . 12003 3
24 . 3 3 16 16 VAL CG2 C 13 23.39 0.03 . 1 . . . . 42 VAL CG2 . 12003 3
25 . 3 3 17 17 VAL HG11 H 1 0.902 0.005 . 5 . . . . 43 VAL MG1 . 12003 3
26 . 3 3 17 17 VAL HG12 H 1 0.902 0.005 . 5 . . . . 43 VAL MG1 . 12003 3
27 . 3 3 17 17 VAL HG13 H 1 0.902 0.005 . 5 . . . . 43 VAL MG1 . 12003 3
28 . 3 3 17 17 VAL HG21 H 1 1.092 0.005 . 5 . . . . 43 VAL MG2 . 12003 3
29 . 3 3 17 17 VAL HG22 H 1 1.092 0.005 . 5 . . . . 43 VAL MG2 . 12003 3
30 . 3 3 17 17 VAL HG23 H 1 1.092 0.005 . 5 . . . . 43 VAL MG2 . 12003 3
31 . 3 3 17 17 VAL CG1 C 13 21.06 0.03 . 1 . . . . 43 VAL CG1 . 12003 3
32 . 3 3 17 17 VAL CG2 C 13 24.34 0.03 . 1 . . . . 43 VAL CG2 . 12003 3
33 . 3 3 19 19 ILE HD11 H 1 0.876 0.005 . 1 . . . . 45 ILE MD . 12003 3
34 . 3 3 19 19 ILE HD12 H 1 0.876 0.005 . 1 . . . . 45 ILE MD . 12003 3
35 . 3 3 19 19 ILE HD13 H 1 0.876 0.005 . 1 . . . . 45 ILE MD . 12003 3
36 . 3 3 19 19 ILE CD1 C 13 14.30 0.03 . 1 . . . . 45 ILE CD1 . 12003 3
37 . 3 3 20 20 MET HE1 H 1 1.030 0.005 . 1 . . . . 46 MET ME . 12003 3
38 . 3 3 20 20 MET HE2 H 1 1.030 0.005 . 1 . . . . 46 MET ME . 12003 3
39 . 3 3 20 20 MET HE3 H 1 1.030 0.005 . 1 . . . . 46 MET ME . 12003 3
40 . 3 3 20 20 MET CE C 13 14.87 0.03 . 1 . . . . 46 MET CE . 12003 3
41 . 3 3 22 22 VAL HG11 H 1 1.028 0.005 . 1 . . . . 48 VAL MG1 . 12003 3
42 . 3 3 22 22 VAL HG12 H 1 1.028 0.005 . 1 . . . . 48 VAL MG1 . 12003 3
43 . 3 3 22 22 VAL HG13 H 1 1.028 0.005 . 1 . . . . 48 VAL MG1 . 12003 3
44 . 3 3 22 22 VAL HG21 H 1 1.105 0.005 . 1 . . . . 48 VAL MG2 . 12003 3
45 . 3 3 22 22 VAL HG22 H 1 1.105 0.005 . 1 . . . . 48 VAL MG2 . 12003 3
46 . 3 3 22 22 VAL HG23 H 1 1.105 0.005 . 1 . . . . 48 VAL MG2 . 12003 3
47 . 3 3 22 22 VAL CG1 C 13 21.60 0.03 . 1 . . . . 48 VAL CG1 . 12003 3
48 . 3 3 22 22 VAL CG2 C 13 22.44 0.03 . 1 . . . . 48 VAL CG2 . 12003 3
49 . 3 3 24 24 VAL HG11 H 1 0.902 0.005 . 1 . . . . 50 VAL MG1 . 12003 3
50 . 3 3 24 24 VAL HG12 H 1 0.902 0.005 . 1 . . . . 50 VAL MG1 . 12003 3
51 . 3 3 24 24 VAL HG13 H 1 0.902 0.005 . 1 . . . . 50 VAL MG1 . 12003 3
52 . 3 3 24 24 VAL HG21 H 1 1.003 0.005 . 5 . . . . 50 VAL MG2 . 12003 3
53 . 3 3 24 24 VAL HG22 H 1 1.003 0.005 . 5 . . . . 50 VAL MG2 . 12003 3
54 . 3 3 24 24 VAL HG23 H 1 1.003 0.005 . 5 . . . . 50 VAL MG2 . 12003 3
55 . 3 3 24 24 VAL CG1 C 13 21.06 0.03 . 1 . . . . 50 VAL CG1 . 12003 3
56 . 3 3 24 24 VAL CG2 C 13 22.54 0.03 . 1 . . . . 50 VAL CG2 . 12003 3
57 . 3 3 27 27 VAL HG11 H 1 1.284 0.005 . 1 . . . . 53 VAL MG1 . 12003 3
58 . 3 3 27 27 VAL HG12 H 1 1.284 0.005 . 1 . . . . 53 VAL MG1 . 12003 3
59 . 3 3 27 27 VAL HG13 H 1 1.284 0.005 . 1 . . . . 53 VAL MG1 . 12003 3
60 . 3 3 27 27 VAL HG21 H 1 1.193 0.005 . 1 . . . . 53 VAL MG2 . 12003 3
61 . 3 3 27 27 VAL HG22 H 1 1.193 0.005 . 1 . . . . 53 VAL MG2 . 12003 3
62 . 3 3 27 27 VAL HG23 H 1 1.193 0.005 . 1 . . . . 53 VAL MG2 . 12003 3
63 . 3 3 27 27 VAL CG1 C 13 22.19 0.03 . 1 . . . . 53 VAL CG1 . 12003 3
64 . 3 3 27 27 VAL CG2 C 13 25.72 0.03 . 1 . . . . 53 VAL CG2 . 12003 3
65 . 3 3 28 28 LEU HD11 H 1 0.876 0.005 . 1 . . . . 54 LEU MD1 . 12003 3
66 . 3 3 28 28 LEU HD12 H 1 0.876 0.005 . 1 . . . . 54 LEU MD1 . 12003 3
67 . 3 3 28 28 LEU HD13 H 1 0.876 0.005 . 1 . . . . 54 LEU MD1 . 12003 3
68 . 3 3 28 28 LEU HD21 H 1 0.867 0.005 . 1 . . . . 54 LEU MD2 . 12003 3
69 . 3 3 28 28 LEU HD22 H 1 0.867 0.005 . 1 . . . . 54 LEU MD2 . 12003 3
70 . 3 3 28 28 LEU HD23 H 1 0.867 0.005 . 1 . . . . 54 LEU MD2 . 12003 3
71 . 3 3 28 28 LEU CD1 C 13 25.14 0.03 . 1 . . . . 54 LEU CD1 . 12003 3
72 . 3 3 28 28 LEU CD2 C 13 22.25 0.03 . 1 . . . . 54 LEU CD2 . 12003 3
73 . 3 3 34 34 LEU HD11 H 1 0.892 0.005 . 1 . . . . 60 LEU MD1 . 12003 3
74 . 3 3 34 34 LEU HD12 H 1 0.892 0.005 . 1 . . . . 60 LEU MD1 . 12003 3
75 . 3 3 34 34 LEU HD13 H 1 0.892 0.005 . 1 . . . . 60 LEU MD1 . 12003 3
76 . 3 3 34 34 LEU HD21 H 1 0.746 0.005 . 1 . . . . 60 LEU MD2 . 12003 3
77 . 3 3 34 34 LEU HD22 H 1 0.746 0.005 . 1 . . . . 60 LEU MD2 . 12003 3
78 . 3 3 34 34 LEU HD23 H 1 0.746 0.005 . 1 . . . . 60 LEU MD2 . 12003 3
79 . 3 3 34 34 LEU CD1 C 13 27.13 0.03 . 1 . . . . 60 LEU CD1 . 12003 3
80 . 3 3 34 34 LEU CD2 C 13 22.83 0.03 . 1 . . . . 60 LEU CD2 . 12003 3
81 . 3 3 37 37 LEU HD11 H 1 0.900 0.005 . 1 . . . . 63 LEU MD1 . 12003 3
82 . 3 3 37 37 LEU HD12 H 1 0.900 0.005 . 1 . . . . 63 LEU MD1 . 12003 3
83 . 3 3 37 37 LEU HD13 H 1 0.900 0.005 . 1 . . . . 63 LEU MD1 . 12003 3
84 . 3 3 37 37 LEU HD21 H 1 0.925 0.005 . 1 . . . . 63 LEU MD2 . 12003 3
85 . 3 3 37 37 LEU HD22 H 1 0.925 0.005 . 1 . . . . 63 LEU MD2 . 12003 3
86 . 3 3 37 37 LEU HD23 H 1 0.925 0.005 . 1 . . . . 63 LEU MD2 . 12003 3
87 . 3 3 37 37 LEU CD1 C 13 22.03 0.03 . 1 . . . . 63 LEU CD1 . 12003 3
88 . 3 3 37 37 LEU CD2 C 13 26.22 0.03 . 1 . . . . 63 LEU CD2 . 12003 3
89 . 3 3 44 44 LEU HD11 H 1 0.947 0.005 . 1 . . . . 70 LEU MD1 . 12003 3
90 . 3 3 44 44 LEU HD12 H 1 0.947 0.005 . 1 . . . . 70 LEU MD1 . 12003 3
91 . 3 3 44 44 LEU HD13 H 1 0.947 0.005 . 1 . . . . 70 LEU MD1 . 12003 3
92 . 3 3 44 44 LEU HD21 H 1 0.925 0.005 . 1 . . . . 70 LEU MD2 . 12003 3
93 . 3 3 44 44 LEU HD22 H 1 0.925 0.005 . 1 . . . . 70 LEU MD2 . 12003 3
94 . 3 3 44 44 LEU HD23 H 1 0.925 0.005 . 1 . . . . 70 LEU MD2 . 12003 3
95 . 3 3 44 44 LEU CD1 C 13 24.79 0.03 . 1 . . . . 70 LEU CD1 . 12003 3
96 . 3 3 44 44 LEU CD2 C 13 26.22 0.03 . 1 . . . . 70 LEU CD2 . 12003 3
97 . 3 3 58 58 LEU HD11 H 1 0.880 0.005 . 1 . . . . 84 LEU MD1 . 12003 3
98 . 3 3 58 58 LEU HD12 H 1 0.880 0.005 . 1 . . . . 84 LEU MD1 . 12003 3
99 . 3 3 58 58 LEU HD13 H 1 0.880 0.005 . 1 . . . . 84 LEU MD1 . 12003 3
100 . 3 3 58 58 LEU HD21 H 1 0.934 0.005 . 1 . . . . 84 LEU MD2 . 12003 3
101 . 3 3 58 58 LEU HD22 H 1 0.934 0.005 . 1 . . . . 84 LEU MD2 . 12003 3
102 . 3 3 58 58 LEU HD23 H 1 0.934 0.005 . 1 . . . . 84 LEU MD2 . 12003 3
103 . 3 3 58 58 LEU CD1 C 13 25.40 0.03 . 1 . . . . 84 LEU CD1 . 12003 3
104 . 3 3 58 58 LEU CD2 C 13 24.50 0.03 . 1 . . . . 84 LEU CD2 . 12003 3
105 . 3 3 67 67 LEU HD11 H 1 0.875 0.005 . 1 . . . . 93 LEU MD1 . 12003 3
106 . 3 3 67 67 LEU HD12 H 1 0.875 0.005 . 1 . . . . 93 LEU MD1 . 12003 3
107 . 3 3 67 67 LEU HD13 H 1 0.875 0.005 . 1 . . . . 93 LEU MD1 . 12003 3
108 . 3 3 67 67 LEU HD21 H 1 0.834 0.005 . 1 . . . . 93 LEU MD2 . 12003 3
109 . 3 3 67 67 LEU HD22 H 1 0.834 0.005 . 1 . . . . 93 LEU MD2 . 12003 3
110 . 3 3 67 67 LEU HD23 H 1 0.834 0.005 . 1 . . . . 93 LEU MD2 . 12003 3
111 . 3 3 67 67 LEU CD1 C 13 25.14 0.03 . 1 . . . . 93 LEU CD1 . 12003 3
112 . 3 3 67 67 LEU CD2 C 13 23.39 0.03 . 1 . . . . 93 LEU CD2 . 12003 3
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 9 12003 3
1 25 12003 3
2 10 12003 3
2 26 12003 3
3 11 12003 3
3 27 12003 3
4 12 12003 3
4 29 12003 3
4 52 12003 3
5 13 12003 3
5 30 12003 3
5 53 12003 3
6 14 12003 3
6 31 12003 3
6 54 12003 3
stop_
save_