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 51099
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Human Beta-2 microglobulin with HLA-B*44:05/6mer'
_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 $chem_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-13C HSQC' . . . 51099 1
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
1 $software_1 . . 51099 1
2 $software_2 . . 51099 1
3 $software_3 . . 51099 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 . 2 . 2 2 2 ILE HD11 H 1 0.746 . . 1 . . . . . 1 I QD1 . 51099 1
2 . 2 . 2 2 2 ILE HD12 H 1 0.746 . . 1 . . . . . 1 I QD1 . 51099 1
3 . 2 . 2 2 2 ILE HD13 H 1 0.746 . . 1 . . . . . 1 I QD1 . 51099 1
4 . 2 . 2 2 2 ILE CD1 C 13 11.989 . . 1 . . . . . 1 I CD1 . 51099 1
5 . 2 . 2 8 8 ILE HD11 H 1 0.674 . . 1 . . . . . 7 I QD1 . 51099 1
6 . 2 . 2 8 8 ILE HD12 H 1 0.674 . . 1 . . . . . 7 I QD1 . 51099 1
7 . 2 . 2 8 8 ILE HD13 H 1 0.674 . . 1 . . . . . 7 I QD1 . 51099 1
8 . 2 . 2 8 8 ILE CD1 C 13 15.046 . . 1 . . . . . 7 I CD1 . 51099 1
9 . 2 . 2 10 10 VAL HG11 H 1 0.973 . . 2 . . . . . 9 V QG1 . 51099 1
10 . 2 . 2 10 10 VAL HG12 H 1 0.973 . . 2 . . . . . 9 V QG1 . 51099 1
11 . 2 . 2 10 10 VAL HG13 H 1 0.973 . . 2 . . . . . 9 V QG1 . 51099 1
12 . 2 . 2 10 10 VAL HG21 H 1 0.988 . . 2 . . . . . 9 V QG2 . 51099 1
13 . 2 . 2 10 10 VAL HG22 H 1 0.988 . . 2 . . . . . 9 V QG2 . 51099 1
14 . 2 . 2 10 10 VAL HG23 H 1 0.988 . . 2 . . . . . 9 V QG2 . 51099 1
15 . 2 . 2 10 10 VAL CG1 C 13 20.485 . . 2 . . . . . 9 V CG1 . 51099 1
16 . 2 . 2 10 10 VAL CG2 C 13 23.827 . . 2 . . . . . 9 V CG2 . 51099 1
17 . 2 . 2 24 24 LEU HD11 H 1 -0.029 . . 2 . . . . . 23 L QD1 . 51099 1
18 . 2 . 2 24 24 LEU HD12 H 1 -0.029 . . 2 . . . . . 23 L QD1 . 51099 1
19 . 2 . 2 24 24 LEU HD13 H 1 -0.029 . . 2 . . . . . 23 L QD1 . 51099 1
20 . 2 . 2 24 24 LEU HD21 H 1 -0.690 . . 2 . . . . . 23 L QD2 . 51099 1
21 . 2 . 2 24 24 LEU HD22 H 1 -0.690 . . 2 . . . . . 23 L QD2 . 51099 1
22 . 2 . 2 24 24 LEU HD23 H 1 -0.690 . . 2 . . . . . 23 L QD2 . 51099 1
23 . 2 . 2 24 24 LEU CD1 C 13 26.111 . . 2 . . . . . 23 L CD1 . 51099 1
24 . 2 . 2 24 24 LEU CD2 C 13 20.316 . . 2 . . . . . 23 L CD2 . 51099 1
25 . 2 . 2 28 28 VAL HG11 H 1 0.981 . . 2 . . . . . 27 V QG1 . 51099 1
26 . 2 . 2 28 28 VAL HG12 H 1 0.981 . . 2 . . . . . 27 V QG1 . 51099 1
27 . 2 . 2 28 28 VAL HG13 H 1 0.981 . . 2 . . . . . 27 V QG1 . 51099 1
28 . 2 . 2 28 28 VAL HG21 H 1 0.740 . . 2 . . . . . 27 V QG2 . 51099 1
29 . 2 . 2 28 28 VAL HG22 H 1 0.740 . . 2 . . . . . 27 V QG2 . 51099 1
30 . 2 . 2 28 28 VAL HG23 H 1 0.740 . . 2 . . . . . 27 V QG2 . 51099 1
31 . 2 . 2 28 28 VAL CG1 C 13 21.000 . . 2 . . . . . 27 V CG1 . 51099 1
32 . 2 . 2 28 28 VAL CG2 C 13 23.552 . . 2 . . . . . 27 V CG2 . 51099 1
33 . 2 . 2 36 36 ILE HD11 H 1 -0.531 . . 1 . . . . . 35 I QD1 . 51099 1
34 . 2 . 2 36 36 ILE HD12 H 1 -0.531 . . 1 . . . . . 35 I QD1 . 51099 1
35 . 2 . 2 36 36 ILE HD13 H 1 -0.531 . . 1 . . . . . 35 I QD1 . 51099 1
36 . 2 . 2 36 36 ILE CD1 C 13 12.784 . . 1 . . . . . 35 I CD1 . 51099 1
37 . 2 . 2 38 38 VAL HG11 H 1 0.188 . . 2 . . . . . 37 V QG1 . 51099 1
38 . 2 . 2 38 38 VAL HG12 H 1 0.188 . . 2 . . . . . 37 V QG1 . 51099 1
39 . 2 . 2 38 38 VAL HG13 H 1 0.188 . . 2 . . . . . 37 V QG1 . 51099 1
40 . 2 . 2 38 38 VAL HG21 H 1 0.382 . . 2 . . . . . 37 V QG2 . 51099 1
41 . 2 . 2 38 38 VAL HG22 H 1 0.382 . . 2 . . . . . 37 V QG2 . 51099 1
42 . 2 . 2 38 38 VAL HG23 H 1 0.382 . . 2 . . . . . 37 V QG2 . 51099 1
43 . 2 . 2 38 38 VAL CG1 C 13 21.557 . . 2 . . . . . 37 V CG1 . 51099 1
44 . 2 . 2 38 38 VAL CG2 C 13 21.853 . . 2 . . . . . 37 V CG2 . 51099 1
45 . 2 . 2 40 40 LEU HD21 H 1 0.700 . . 2 . . . . . 39 L QD2 . 51099 1
46 . 2 . 2 40 40 LEU HD22 H 1 0.700 . . 2 . . . . . 39 L QD2 . 51099 1
47 . 2 . 2 40 40 LEU HD23 H 1 0.700 . . 2 . . . . . 39 L QD2 . 51099 1
48 . 2 . 2 40 40 LEU CD2 C 13 26.038 . . 2 . . . . . 39 L CD2 . 51099 1
49 . 2 . 2 41 41 LEU HD11 H 1 0.569 . . 2 . . . . . 40 L QD1 . 51099 1
50 . 2 . 2 41 41 LEU HD12 H 1 0.569 . . 2 . . . . . 40 L QD1 . 51099 1
51 . 2 . 2 41 41 LEU HD13 H 1 0.569 . . 2 . . . . . 40 L QD1 . 51099 1
52 . 2 . 2 41 41 LEU HD21 H 1 0.384 . . 2 . . . . . 40 L QD2 . 51099 1
53 . 2 . 2 41 41 LEU HD22 H 1 0.384 . . 2 . . . . . 40 L QD2 . 51099 1
54 . 2 . 2 41 41 LEU HD23 H 1 0.384 . . 2 . . . . . 40 L QD2 . 51099 1
55 . 2 . 2 41 41 LEU CD1 C 13 25.610 . . 2 . . . . . 40 L CD1 . 51099 1
56 . 2 . 2 41 41 LEU CD2 C 13 22.469 . . 2 . . . . . 40 L CD2 . 51099 1
57 . 2 . 2 47 47 ILE HD11 H 1 0.816 . . 1 . . . . . 46 I QD1 . 51099 1
58 . 2 . 2 47 47 ILE HD12 H 1 0.816 . . 1 . . . . . 46 I QD1 . 51099 1
59 . 2 . 2 47 47 ILE HD13 H 1 0.816 . . 1 . . . . . 46 I QD1 . 51099 1
60 . 2 . 2 47 47 ILE CD1 C 13 13.643 . . 1 . . . . . 46 I CD1 . 51099 1
61 . 2 . 2 50 50 VAL HG21 H 1 0.974 . . 2 . . . . . 49 V QG2 . 51099 1
62 . 2 . 2 50 50 VAL HG22 H 1 0.974 . . 2 . . . . . 49 V QG2 . 51099 1
63 . 2 . 2 50 50 VAL HG23 H 1 0.974 . . 2 . . . . . 49 V QG2 . 51099 1
64 . 2 . 2 50 50 VAL CG2 C 13 21.969 . . 2 . . . . . 49 V CG2 . 51099 1
65 . 2 . 2 55 55 LEU HD21 H 1 0.899 . . 2 . . . . . 54 L QD2 . 51099 1
66 . 2 . 2 55 55 LEU HD22 H 1 0.899 . . 2 . . . . . 54 L QD2 . 51099 1
67 . 2 . 2 55 55 LEU HD23 H 1 0.899 . . 2 . . . . . 54 L QD2 . 51099 1
68 . 2 . 2 55 55 LEU CD2 C 13 24.686 . . 2 . . . . . 54 L CD2 . 51099 1
69 . 2 . 2 65 65 LEU HD11 H 1 0.996 . . 2 . . . . . 64 L QD1 . 51099 1
70 . 2 . 2 65 65 LEU HD12 H 1 0.996 . . 2 . . . . . 64 L QD1 . 51099 1
71 . 2 . 2 65 65 LEU HD13 H 1 0.996 . . 2 . . . . . 64 L QD1 . 51099 1
72 . 2 . 2 65 65 LEU CD1 C 13 25.452 . . 2 . . . . . 64 L CD1 . 51099 1
73 . 2 . 2 83 83 VAL HG11 H 1 0.538 . . 2 . . . . . 82 V QG1 . 51099 1
74 . 2 . 2 83 83 VAL HG12 H 1 0.538 . . 2 . . . . . 82 V QG1 . 51099 1
75 . 2 . 2 83 83 VAL HG13 H 1 0.538 . . 2 . . . . . 82 V QG1 . 51099 1
76 . 2 . 2 83 83 VAL HG21 H 1 0.755 . . 2 . . . . . 82 V QG2 . 51099 1
77 . 2 . 2 83 83 VAL HG22 H 1 0.755 . . 2 . . . . . 82 V QG2 . 51099 1
78 . 2 . 2 83 83 VAL HG23 H 1 0.755 . . 2 . . . . . 82 V QG2 . 51099 1
79 . 2 . 2 83 83 VAL CG1 C 13 21.062 . . 2 . . . . . 82 V CG1 . 51099 1
80 . 2 . 2 83 83 VAL CG2 C 13 22.854 . . 2 . . . . . 82 V CG2 . 51099 1
81 . 2 . 2 86 86 VAL HG11 H 1 0.555 . . 2 . . . . . 85 V QG1 . 51099 1
82 . 2 . 2 86 86 VAL HG12 H 1 0.555 . . 2 . . . . . 85 V QG1 . 51099 1
83 . 2 . 2 86 86 VAL HG13 H 1 0.555 . . 2 . . . . . 85 V QG1 . 51099 1
84 . 2 . 2 86 86 VAL HG21 H 1 0.842 . . 2 . . . . . 85 V QG2 . 51099 1
85 . 2 . 2 86 86 VAL HG22 H 1 0.842 . . 2 . . . . . 85 V QG2 . 51099 1
86 . 2 . 2 86 86 VAL HG23 H 1 0.842 . . 2 . . . . . 85 V QG2 . 51099 1
87 . 2 . 2 86 86 VAL CG1 C 13 19.230 . . 2 . . . . . 85 V CG1 . 51099 1
88 . 2 . 2 86 86 VAL CG2 C 13 20.462 . . 2 . . . . . 85 V CG2 . 51099 1
89 . 2 . 2 88 88 LEU HD11 H 1 0.799 . . 2 . . . . . 87 L QD1 . 51099 1
90 . 2 . 2 88 88 LEU HD12 H 1 0.799 . . 2 . . . . . 87 L QD1 . 51099 1
91 . 2 . 2 88 88 LEU HD13 H 1 0.799 . . 2 . . . . . 87 L QD1 . 51099 1
92 . 2 . 2 88 88 LEU HD21 H 1 0.938 . . 2 . . . . . 87 L QD2 . 51099 1
93 . 2 . 2 88 88 LEU HD22 H 1 0.938 . . 2 . . . . . 87 L QD2 . 51099 1
94 . 2 . 2 88 88 LEU HD23 H 1 0.938 . . 2 . . . . . 87 L QD2 . 51099 1
95 . 2 . 2 88 88 LEU CD1 C 13 23.086 . . 2 . . . . . 87 L CD1 . 51099 1
96 . 2 . 2 88 88 LEU CD2 C 13 23.051 . . 2 . . . . . 87 L CD2 . 51099 1
97 . 2 . 2 93 93 ILE HD11 H 1 0.723 . . 1 . . . . . 92 I QD1 . 51099 1
98 . 2 . 2 93 93 ILE HD12 H 1 0.723 . . 1 . . . . . 92 I QD1 . 51099 1
99 . 2 . 2 93 93 ILE HD13 H 1 0.723 . . 1 . . . . . 92 I QD1 . 51099 1
100 . 2 . 2 93 93 ILE CD1 C 13 13.011 . . 1 . . . . . 92 I CD1 . 51099 1
101 . 2 . 2 94 94 VAL HG11 H 1 1.049 . . 2 . . . . . 93 V QG1 . 51099 1
102 . 2 . 2 94 94 VAL HG12 H 1 1.049 . . 2 . . . . . 93 V QG1 . 51099 1
103 . 2 . 2 94 94 VAL HG13 H 1 1.049 . . 2 . . . . . 93 V QG1 . 51099 1
104 . 2 . 2 94 94 VAL HG21 H 1 0.889 . . 2 . . . . . 93 V QG2 . 51099 1
105 . 2 . 2 94 94 VAL HG22 H 1 0.889 . . 2 . . . . . 93 V QG2 . 51099 1
106 . 2 . 2 94 94 VAL HG23 H 1 0.889 . . 2 . . . . . 93 V QG2 . 51099 1
107 . 2 . 2 94 94 VAL CG1 C 13 21.323 . . 2 . . . . . 93 V CG1 . 51099 1
108 . 2 . 2 94 94 VAL CG2 C 13 21.431 . . 2 . . . . . 93 V CG2 . 51099 1
stop_
save_