Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1650
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1650 1
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 . 1 1 2 2 VAL HA H 1 4.18 . . 1 . . . . . . . . 1650 1
2 . 1 1 8 8 LEU HD11 H 1 .84 . . 2 . . . . . . . . 1650 1
3 . 1 1 8 8 LEU HD12 H 1 .84 . . 2 . . . . . . . . 1650 1
4 . 1 1 8 8 LEU HD13 H 1 .84 . . 2 . . . . . . . . 1650 1
5 . 1 1 8 8 LEU HD21 H 1 .81 . . 2 . . . . . . . . 1650 1
6 . 1 1 8 8 LEU HD22 H 1 .81 . . 2 . . . . . . . . 1650 1
7 . 1 1 8 8 LEU HD23 H 1 .81 . . 2 . . . . . . . . 1650 1
8 . 1 1 12 12 MET HE1 H 1 2.01 . . 1 . . . . . . . . 1650 1
9 . 1 1 12 12 MET HE2 H 1 2.01 . . 1 . . . . . . . . 1650 1
10 . 1 1 12 12 MET HE3 H 1 2.01 . . 1 . . . . . . . . 1650 1
11 . 1 1 15 15 HIS HE1 H 1 8.6 . . 1 . . . . . . . . 1650 1
12 . 1 1 15 15 HIS HE2 H 1 8.6 . . 1 . . . . . . . . 1650 1
13 . 1 1 17 17 LEU HD11 H 1 .88 . . 2 . . . . . . . . 1650 1
14 . 1 1 17 17 LEU HD12 H 1 .88 . . 2 . . . . . . . . 1650 1
15 . 1 1 17 17 LEU HD13 H 1 .88 . . 2 . . . . . . . . 1650 1
16 . 1 1 17 17 LEU HD21 H 1 .84 . . 2 . . . . . . . . 1650 1
17 . 1 1 17 17 LEU HD22 H 1 .84 . . 2 . . . . . . . . 1650 1
18 . 1 1 17 17 LEU HD23 H 1 .84 . . 2 . . . . . . . . 1650 1
19 . 1 1 21 21 ARG H H 1 7.83 . . 1 . . . . . . . . 1650 1
20 . 1 1 23 23 TYR HD1 H 1 7 . . 1 . . . . . . . . 1650 1
21 . 1 1 23 23 TYR HD2 H 1 7 . . 1 . . . . . . . . 1650 1
22 . 1 1 23 23 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 1650 1
23 . 1 1 23 23 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 1650 1
24 . 1 1 26 26 GLY H H 1 7.24 . . 1 . . . . . . . . 1650 1
25 . 1 1 28 28 TRP HE1 H 1 9.86 . . 1 . . . . . . . . 1650 1
26 . 1 1 28 28 TRP HE3 H 1 7.47 . . 1 . . . . . . . . 1650 1
27 . 1 1 28 28 TRP HZ3 H 1 6.99 . . 1 . . . . . . . . 1650 1
28 . 1 1 28 28 TRP HH2 H 1 7.07 . . 1 . . . . . . . . 1650 1
29 . 1 1 29 29 VAL HG11 H 1 .74 . . 1 . . . . . . . . 1650 1
30 . 1 1 29 29 VAL HG12 H 1 .74 . . 1 . . . . . . . . 1650 1
31 . 1 1 29 29 VAL HG13 H 1 .74 . . 1 . . . . . . . . 1650 1
32 . 1 1 29 29 VAL HG21 H 1 .74 . . 1 . . . . . . . . 1650 1
33 . 1 1 29 29 VAL HG22 H 1 .74 . . 1 . . . . . . . . 1650 1
34 . 1 1 29 29 VAL HG23 H 1 .74 . . 1 . . . . . . . . 1650 1
35 . 1 1 31 31 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1650 1
36 . 1 1 31 31 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1650 1
37 . 1 1 31 31 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1650 1
38 . 1 1 39 39 ASN HA H 1 4.75 . . 1 . . . . . . . . 1650 1
39 . 1 1 40 40 THR H H 1 7.78 . . 1 . . . . . . . . 1650 1
40 . 1 1 40 40 THR HG21 H 1 1.19 . . 1 . . . . . . . . 1650 1
41 . 1 1 40 40 THR HG22 H 1 1.19 . . 1 . . . . . . . . 1650 1
42 . 1 1 40 40 THR HG23 H 1 1.19 . . 1 . . . . . . . . 1650 1
43 . 1 1 43 43 THR HA H 1 4.35 . . 1 . . . . . . . . 1650 1
44 . 1 1 43 43 THR HG21 H 1 1.21 . . 1 . . . . . . . . 1650 1
45 . 1 1 43 43 THR HG22 H 1 1.21 . . 1 . . . . . . . . 1650 1
46 . 1 1 43 43 THR HG23 H 1 1.21 . . 1 . . . . . . . . 1650 1
47 . 1 1 44 44 ASN HA H 1 4.75 . . 1 . . . . . . . . 1650 1
48 . 1 1 45 45 ARG H H 1 7.58 . . 1 . . . . . . . . 1650 1
49 . 1 1 45 45 ARG HA H 1 4.26 . . 1 . . . . . . . . 1650 1
50 . 1 1 46 46 ASN HA H 1 4.79 . . 1 . . . . . . . . 1650 1
51 . 1 1 51 51 THR H H 1 8.03 . . 1 . . . . . . . . 1650 1
52 . 1 1 51 51 THR HG21 H 1 1.12 . . 1 . . . . . . . . 1650 1
53 . 1 1 51 51 THR HG22 H 1 1.12 . . 1 . . . . . . . . 1650 1
54 . 1 1 51 51 THR HG23 H 1 1.12 . . 1 . . . . . . . . 1650 1
55 . 1 1 52 52 ASP H H 1 7.81 . . 1 . . . . . . . . 1650 1
56 . 1 1 52 52 ASP HA H 1 4.65 . . 1 . . . . . . . . 1650 1
57 . 1 1 53 53 TYR H H 1 7.77 . . 1 . . . . . . . . 1650 1
58 . 1 1 53 53 TYR HA H 1 4.57 . . 1 . . . . . . . . 1650 1
59 . 1 1 56 56 LEU HD11 H 1 .84 . . 2 . . . . . . . . 1650 1
60 . 1 1 56 56 LEU HD12 H 1 .84 . . 2 . . . . . . . . 1650 1
61 . 1 1 56 56 LEU HD13 H 1 .84 . . 2 . . . . . . . . 1650 1
62 . 1 1 56 56 LEU HD21 H 1 .79 . . 2 . . . . . . . . 1650 1
63 . 1 1 56 56 LEU HD22 H 1 .79 . . 2 . . . . . . . . 1650 1
64 . 1 1 56 56 LEU HD23 H 1 .79 . . 2 . . . . . . . . 1650 1
65 . 1 1 59 59 ASN HA H 1 4.71 . . 1 . . . . . . . . 1650 1
66 . 1 1 60 60 SER HA H 1 4.44 . . 1 . . . . . . . . 1650 1
67 . 1 1 62 62 TRP HE1 H 1 9.9 . . 1 . . . . . . . . 1650 1
68 . 1 1 63 63 TRP HA H 1 4.69 . . 1 . . . . . . . . 1650 1
69 . 1 1 63 63 TRP HD1 H 1 7.05 . . 1 . . . . . . . . 1650 1
70 . 1 1 63 63 TRP HE1 H 1 9.86 . . 1 . . . . . . . . 1650 1
71 . 1 1 63 63 TRP HE3 H 1 7.24 . . 1 . . . . . . . . 1650 1
72 . 1 1 63 63 TRP HZ3 H 1 7.04 . . 1 . . . . . . . . 1650 1
73 . 1 1 64 64 CYS HA H 1 4.71 . . 1 . . . . . . . . 1650 1
74 . 1 1 65 65 ASN HA H 1 4.77 . . 1 . . . . . . . . 1650 1
75 . 1 1 66 66 ASP HA H 1 4.57 . . 1 . . . . . . . . 1650 1
76 . 1 1 74 74 ASN HA H 1 4.74 . . 1 . . . . . . . . 1650 1
77 . 1 1 75 75 LEU HD11 H 1 .87 . . 1 . . . . . . . . 1650 1
78 . 1 1 75 75 LEU HD12 H 1 .87 . . 1 . . . . . . . . 1650 1
79 . 1 1 75 75 LEU HD13 H 1 .87 . . 1 . . . . . . . . 1650 1
80 . 1 1 75 75 LEU HD21 H 1 .87 . . 1 . . . . . . . . 1650 1
81 . 1 1 75 75 LEU HD22 H 1 .87 . . 1 . . . . . . . . 1650 1
82 . 1 1 75 75 LEU HD23 H 1 .87 . . 1 . . . . . . . . 1650 1
83 . 1 1 76 76 CYS H H 1 7.81 . . 1 . . . . . . . . 1650 1
84 . 1 1 78 78 ILE HA H 1 4.18 . . 1 . . . . . . . . 1650 1
85 . 1 1 79 79 PRO HA H 1 4.54 . . 1 . . . . . . . . 1650 1
86 . 1 1 84 84 LEU HA H 1 4.35 . . 1 . . . . . . . . 1650 1
87 . 1 1 94 94 CYS HA H 1 4.63 . . 1 . . . . . . . . 1650 1
88 . 1 1 105 105 MET HE1 H 1 2.03 . . 1 . . . . . . . . 1650 1
89 . 1 1 105 105 MET HE2 H 1 2.03 . . 1 . . . . . . . . 1650 1
90 . 1 1 105 105 MET HE3 H 1 2.03 . . 1 . . . . . . . . 1650 1
91 . 1 1 107 107 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 1650 1
92 . 1 1 107 107 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 1650 1
93 . 1 1 107 107 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 1650 1
94 . 1 1 108 108 TRP HE1 H 1 9.9 . . 1 . . . . . . . . 1650 1
95 . 1 1 108 108 TRP HZ3 H 1 6.96 . . 1 . . . . . . . . 1650 1
96 . 1 1 111 111 TRP HE1 H 1 9.86 . . 1 . . . . . . . . 1650 1
97 . 1 1 111 111 TRP HE3 H 1 7.52 . . 1 . . . . . . . . 1650 1
98 . 1 1 119 119 ASP HA H 1 4.75 . . 1 . . . . . . . . 1650 1
99 . 1 1 123 123 TRP HE1 H 1 9.9 . . 1 . . . . . . . . 1650 1
100 . 1 1 127 127 CYS HA H 1 4.7 . . 1 . . . . . . . . 1650 1
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save_