Content for NMR-STAR saveframe, "chemical_shift_assignment_set_three"
save_chemical_shift_assignment_set_three
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_three
_Assigned_chem_shift_list.Entry_ID 4001
_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_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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
;
This save frame contains one set of peak assignments for the protein segment
from residues 1 to 15. Multiple resonances were not reported for all
residues in this segment.
;
_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 . 4001 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 . 1 1 2 2 SER HA H 1 4.66 . . 1 . . . . . . . . 4001 3
2 . 1 1 2 2 SER H H 1 9.95 . . 1 . . . . . . . . 4001 3
3 . 1 1 2 2 SER C C 13 174.7 . . 1 . . . . . . . . 4001 3
4 . 1 1 2 2 SER CA C 13 57.44 . . 1 . . . . . . . . 4001 3
5 . 1 1 2 2 SER CB C 13 65.36 . . 1 . . . . . . . . 4001 3
6 . 1 1 2 2 SER N N 15 120.73 . . 1 . . . . . . . . 4001 3
7 . 1 1 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 3
8 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 3
9 . 1 1 4 4 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 4001 3
10 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 3
11 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 3
12 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 3
13 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 3
14 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 3
15 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 3
16 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 3
17 . 1 1 4 4 LEU H H 1 9.01 . . 1 . . . . . . . . 4001 3
18 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 3
19 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 3
20 . 1 1 4 4 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 3
21 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 3
22 . 1 1 4 4 LEU CD1 C 13 26.92 . . 2 . . . . . . . . 4001 3
23 . 1 1 4 4 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4001 3
24 . 1 1 4 4 LEU N N 15 121.93 . . 1 . . . . . . . . 4001 3
25 . 1 1 5 5 GLU HA H 1 3.33 . . 1 . . . . . . . . 4001 3
26 . 1 1 5 5 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4001 3
27 . 1 1 5 5 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4001 3
28 . 1 1 5 5 GLU H H 1 7.73 . . 1 . . . . . . . . 4001 3
29 . 1 1 5 5 GLU C C 13 178.46 . . 1 . . . . . . . . 4001 3
30 . 1 1 5 5 GLU CA C 13 59.4 . . 1 . . . . . . . . 4001 3
31 . 1 1 5 5 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 3
32 . 1 1 5 5 GLU CG C 13 37.88 . . 1 . . . . . . . . 4001 3
33 . 1 1 5 5 GLU N N 15 118.47 . . 1 . . . . . . . . 4001 3
34 . 1 1 6 6 LYS HA H 1 3.98 . . 1 . . . . . . . . 4001 3
35 . 1 1 6 6 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 4001 3
36 . 1 1 6 6 LYS HB3 H 1 1.94 . . 1 . . . . . . . . 4001 3
37 . 1 1 6 6 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 4001 3
38 . 1 1 6 6 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4001 3
39 . 1 1 6 6 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4001 3
40 . 1 1 6 6 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4001 3
41 . 1 1 6 6 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4001 3
42 . 1 1 6 6 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4001 3
43 . 1 1 6 6 LYS H H 1 7.88 . . 1 . . . . . . . . 4001 3
44 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 3
45 . 1 1 6 6 LYS CA C 13 59.79 . . 1 . . . . . . . . 4001 3
46 . 1 1 6 6 LYS CB C 13 32.26 . . 1 . . . . . . . . 4001 3
47 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 3
48 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 3
49 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 3
50 . 1 1 6 6 LYS N N 15 118.15 . . 1 . . . . . . . . 4001 3
51 . 1 1 7 7 ALA HA H 1 4.28 . . 1 . . . . . . . . 4001 3
52 . 1 1 7 7 ALA HB1 H 1 1.67 . . 1 . . . . . . . . 4001 3
53 . 1 1 7 7 ALA HB2 H 1 1.67 . . 1 . . . . . . . . 4001 3
54 . 1 1 7 7 ALA HB3 H 1 1.67 . . 1 . . . . . . . . 4001 3
55 . 1 1 7 7 ALA H H 1 8.18 . . 1 . . . . . . . . 4001 3
56 . 1 1 7 7 ALA C C 13 179.31 . . 1 . . . . . . . . 4001 3
57 . 1 1 7 7 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 3
58 . 1 1 7 7 ALA CB C 13 17.53 . . 1 . . . . . . . . 4001 3
59 . 1 1 7 7 ALA N N 15 123.3 . . 1 . . . . . . . . 4001 3
60 . 1 1 9 9 VAL HA H 1 3.52 . . 1 . . . . . . . . 4001 3
61 . 1 1 9 9 VAL HB H 1 2.24 . . 1 . . . . . . . . 4001 3
62 . 1 1 9 9 VAL HG11 H 1 1.26 . . 2 . . . . . . . . 4001 3
63 . 1 1 9 9 VAL HG12 H 1 1.26 . . 2 . . . . . . . . 4001 3
64 . 1 1 9 9 VAL HG13 H 1 1.26 . . 2 . . . . . . . . 4001 3
65 . 1 1 9 9 VAL HG21 H 1 0.99 . . 2 . . . . . . . . 4001 3
66 . 1 1 9 9 VAL HG22 H 1 0.99 . . 2 . . . . . . . . 4001 3
67 . 1 1 9 9 VAL HG23 H 1 0.99 . . 2 . . . . . . . . 4001 3
68 . 1 1 9 9 VAL H H 1 8.34 . . 1 . . . . . . . . 4001 3
69 . 1 1 9 9 VAL C C 13 177.86 . . 1 . . . . . . . . 4001 3
70 . 1 1 9 9 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 3
71 . 1 1 9 9 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 3
72 . 1 1 9 9 VAL CG1 C 13 23.27 . . 2 . . . . . . . . 4001 3
73 . 1 1 9 9 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 3
74 . 1 1 9 9 VAL N N 15 119.2 . . 1 . . . . . . . . 4001 3
75 . 1 1 11 11 LEU HA H 1 4.12 . . 1 . . . . . . . . 4001 3
76 . 1 1 11 11 LEU HB2 H 1 2.52 . . 1 . . . . . . . . 4001 3
77 . 1 1 11 11 LEU HB3 H 1 2.52 . . 1 . . . . . . . . 4001 3
78 . 1 1 11 11 LEU HG H 1 1.81 . . 1 . . . . . . . . 4001 3
79 . 1 1 11 11 LEU HD11 H 1 0.96 . . 2 . . . . . . . . 4001 3
80 . 1 1 11 11 LEU HD12 H 1 0.96 . . 2 . . . . . . . . 4001 3
81 . 1 1 11 11 LEU HD13 H 1 0.96 . . 2 . . . . . . . . 4001 3
82 . 1 1 11 11 LEU HD21 H 1 1.08 . . 2 . . . . . . . . 4001 3
83 . 1 1 11 11 LEU HD22 H 1 1.08 . . 2 . . . . . . . . 4001 3
84 . 1 1 11 11 LEU HD23 H 1 1.08 . . 2 . . . . . . . . 4001 3
85 . 1 1 11 11 LEU H H 1 8.26 . . 1 . . . . . . . . 4001 3
86 . 1 1 11 11 LEU C C 13 179.43 . . 1 . . . . . . . . 4001 3
87 . 1 1 11 11 LEU CA C 13 59.03 . . 1 . . . . . . . . 4001 3
88 . 1 1 11 11 LEU CB C 13 42.39 . . 1 . . . . . . . . 4001 3
89 . 1 1 11 11 LEU CG C 13 27.44 . . 1 . . . . . . . . 4001 3
90 . 1 1 11 11 LEU CD1 C 13 26.08 . . 2 . . . . . . . . 4001 3
91 . 1 1 11 11 LEU CD2 C 13 24.94 . . 2 . . . . . . . . 4001 3
92 . 1 1 11 11 LEU N N 15 119.6 . . 1 . . . . . . . . 4001 3
93 . 1 1 12 12 ILE HA H 1 3.39 . . 1 . . . . . . . . 4001 3
94 . 1 1 12 12 ILE HB H 1 1.67 . . 1 . . . . . . . . 4001 3
95 . 1 1 12 12 ILE HG12 H 1 1.81 . . 1 . . . . . . . . 4001 3
96 . 1 1 12 12 ILE HG13 H 1 1.81 . . 1 . . . . . . . . 4001 3
97 . 1 1 12 12 ILE HG21 H 1 0.1 . . 1 . . . . . . . . 4001 3
98 . 1 1 12 12 ILE HG22 H 1 0.1 . . 1 . . . . . . . . 4001 3
99 . 1 1 12 12 ILE HG23 H 1 0.1 . . 1 . . . . . . . . 4001 3
100 . 1 1 12 12 ILE HD11 H 1 0.1 . . 1 . . . . . . . . 4001 3
101 . 1 1 12 12 ILE HD12 H 1 0.1 . . 1 . . . . . . . . 4001 3
102 . 1 1 12 12 ILE HD13 H 1 0.1 . . 1 . . . . . . . . 4001 3
103 . 1 1 12 12 ILE H H 1 8.39 . . 1 . . . . . . . . 4001 3
104 . 1 1 12 12 ILE C C 13 177.86 . . 1 . . . . . . . . 4001 3
105 . 1 1 12 12 ILE CA C 13 66.05 . . 1 . . . . . . . . 4001 3
106 . 1 1 12 12 ILE CB C 13 38.25 . . 1 . . . . . . . . 4001 3
107 . 1 1 12 12 ILE CG1 C 13 38.25 . . 1 . . . . . . . . 4001 3
108 . 1 1 12 12 ILE N N 15 121.21 . . 1 . . . . . . . . 4001 3
109 . 1 1 15 15 PHE HA H 1 3.52 . . 1 . . . . . . . . 4001 3
110 . 1 1 15 15 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 4001 3
111 . 1 1 15 15 PHE HB3 H 1 2.68 . . 2 . . . . . . . . 4001 3
112 . 1 1 15 15 PHE H H 1 8.43 . . 1 . . . . . . . . 4001 3
113 . 1 1 15 15 PHE C C 13 177.74 . . 1 . . . . . . . . 4001 3
114 . 1 1 15 15 PHE CA C 13 62.19 . . 1 . . . . . . . . 4001 3
115 . 1 1 15 15 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 3
116 . 1 1 15 15 PHE N N 15 119.84 . . 1 . . . . . . . . 4001 3
stop_
save_