Content for NMR-STAR saveframe, "chemical_shift_assignment_set_two"
save_chemical_shift_assignment_set_two
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_two
_Assigned_chem_shift_list.Entry_ID 4001
_Assigned_chem_shift_list.ID 2
_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 2
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 2
2 . 1 1 2 2 SER H H 1 10.23 . . 1 . . . . . . . . 4001 2
3 . 1 1 2 2 SER C C 13 174.7 . . 1 . . . . . . . . 4001 2
4 . 1 1 2 2 SER CA C 13 57.05 . . 1 . . . . . . . . 4001 2
5 . 1 1 2 2 SER CB C 13 65.36 . . 1 . . . . . . . . 4001 2
6 . 1 1 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 2
7 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 2
8 . 1 1 4 4 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4001 2
9 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 2
10 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 2
11 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 2
12 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 2
13 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 2
14 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 2
15 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 2
16 . 1 1 4 4 LEU H H 1 8.94 . . 1 . . . . . . . . 4001 2
17 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 2
18 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 2
19 . 1 1 4 4 LEU CB C 13 41.93 . . 1 . . . . . . . . 4001 2
20 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 2
21 . 1 1 4 4 LEU CD1 C 13 26.92 . . 1 . . . . . . . . 4001 2
22 . 1 1 4 4 LEU CD2 C 13 26.4 . . 1 . . . . . . . . 4001 2
23 . 1 1 4 4 LEU N N 15 121.37 . . 1 . . . . . . . . 4001 2
24 . 1 1 5 5 GLU HA H 1 3.28 . . 1 . . . . . . . . 4001 2
25 . 1 1 5 5 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 2
26 . 1 1 5 5 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 2
27 . 1 1 5 5 GLU H H 1 8.09 . . 1 . . . . . . . . 4001 2
28 . 1 1 5 5 GLU C C 13 178.59 . . 1 . . . . . . . . 4001 2
29 . 1 1 5 5 GLU CA C 13 59.79 . . 1 . . . . . . . . 4001 2
30 . 1 1 5 5 GLU CB C 13 29.5 . . 1 . . . . . . . . 4001 2
31 . 1 1 5 5 GLU CG C 13 37.88 . . 1 . . . . . . . . 4001 2
32 . 1 1 5 5 GLU N N 15 120.00 . . 1 . . . . . . . . 4001 2
33 . 1 1 6 6 LYS HA H 1 3.9 . . 1 . . . . . . . . 4001 2
34 . 1 1 6 6 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4001 2
35 . 1 1 6 6 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4001 2
36 . 1 1 6 6 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4001 2
37 . 1 1 6 6 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4001 2
38 . 1 1 6 6 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4001 2
39 . 1 1 6 6 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4001 2
40 . 1 1 6 6 LYS HE2 H 1 2.9 . . 1 . . . . . . . . 4001 2
41 . 1 1 6 6 LYS HE3 H 1 2.9 . . 1 . . . . . . . . 4001 2
42 . 1 1 6 6 LYS H H 1 8.57 . . 1 . . . . . . . . 4001 2
43 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 2
44 . 1 1 6 6 LYS CA C 13 60.31 . . 1 . . . . . . . . 4001 2
45 . 1 1 6 6 LYS CB C 13 32.72 . . 1 . . . . . . . . 4001 2
46 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 2
47 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 2
48 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 2
49 . 1 1 6 6 LYS N N 15 117.5 . . 1 . . . . . . . . 4001 2
50 . 1 1 7 7 ALA HA H 1 4.28 . . 1 . . . . . . . . 4001 2
51 . 1 1 7 7 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4001 2
52 . 1 1 7 7 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4001 2
53 . 1 1 7 7 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4001 2
54 . 1 1 7 7 ALA H H 1 8.04 . . 1 . . . . . . . . 4001 2
55 . 1 1 7 7 ALA C C 13 179.31 . . 1 . . . . . . . . 4001 2
56 . 1 1 7 7 ALA CA C 13 55.1 . . 1 . . . . . . . . 4001 2
57 . 1 1 7 7 ALA CB C 13 17.99 . . 1 . . . . . . . . 4001 2
58 . 1 1 7 7 ALA N N 15 123.54 . . 1 . . . . . . . . 4001 2
59 . 1 1 9 9 VAL HA H 1 3.52 . . 1 . . . . . . . . 4001 2
60 . 1 1 9 9 VAL HB H 1 2.24 . . 1 . . . . . . . . 4001 2
61 . 1 1 9 9 VAL HG11 H 1 1.24 . . 2 . . . . . . . . 4001 2
62 . 1 1 9 9 VAL HG12 H 1 1.24 . . 2 . . . . . . . . 4001 2
63 . 1 1 9 9 VAL HG13 H 1 1.24 . . 2 . . . . . . . . 4001 2
64 . 1 1 9 9 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4001 2
65 . 1 1 9 9 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4001 2
66 . 1 1 9 9 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4001 2
67 . 1 1 9 9 VAL H H 1 8.5 . . 1 . . . . . . . . 4001 2
68 . 1 1 9 9 VAL C C 13 177.86 . . 1 . . . . . . . . 4001 2
69 . 1 1 9 9 VAL CA C 13 67.23 . . 1 . . . . . . . . 4001 2
70 . 1 1 9 9 VAL CB C 13 31.34 . . 1 . . . . . . . . 4001 2
71 . 1 1 9 9 VAL CG1 C 13 23.27 . . 2 . . . . . . . . 4001 2
72 . 1 1 9 9 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4001 2
73 . 1 1 9 9 VAL N N 15 119.2 . . 1 . . . . . . . . 4001 2
74 . 1 1 11 11 LEU HA H 1 4.12 . . 1 . . . . . . . . 4001 2
75 . 1 1 11 11 LEU HB2 H 1 2.52 . . 1 . . . . . . . . 4001 2
76 . 1 1 11 11 LEU HB3 H 1 2.52 . . 1 . . . . . . . . 4001 2
77 . 1 1 11 11 LEU HG H 1 1.81 . . 1 . . . . . . . . 4001 2
78 . 1 1 11 11 LEU HD11 H 1 1.08 . . 1 . . . . . . . . 4001 2
79 . 1 1 11 11 LEU HD12 H 1 1.08 . . 1 . . . . . . . . 4001 2
80 . 1 1 11 11 LEU HD13 H 1 1.08 . . 1 . . . . . . . . 4001 2
81 . 1 1 11 11 LEU HD21 H 1 0.96 . . 1 . . . . . . . . 4001 2
82 . 1 1 11 11 LEU HD22 H 1 0.96 . . 1 . . . . . . . . 4001 2
83 . 1 1 11 11 LEU HD23 H 1 0.96 . . 1 . . . . . . . . 4001 2
84 . 1 1 11 11 LEU H H 1 8.29 . . 1 . . . . . . . . 4001 2
85 . 1 1 11 11 LEU C C 13 179.43 . . 1 . . . . . . . . 4001 2
86 . 1 1 11 11 LEU CA C 13 59.03 . . 1 . . . . . . . . 4001 2
87 . 1 1 11 11 LEU CB C 13 42.39 . . 1 . . . . . . . . 4001 2
88 . 1 1 11 11 LEU CG C 13 27.44 . . 1 . . . . . . . . 4001 2
89 . 1 1 11 11 LEU CD1 C 13 26.08 . . 2 . . . . . . . . 4001 2
90 . 1 1 11 11 LEU CD2 C 13 24.94 . . 2 . . . . . . . . 4001 2
91 . 1 1 11 11 LEU N N 15 119.76 . . 1 . . . . . . . . 4001 2
92 . 1 1 12 12 ILE HA H 1 3.39 . . 1 . . . . . . . . 4001 2
93 . 1 1 12 12 ILE HB H 1 1.67 . . 1 . . . . . . . . 4001 2
94 . 1 1 12 12 ILE HG12 H 1 1.81 . . 1 . . . . . . . . 4001 2
95 . 1 1 12 12 ILE HG13 H 1 1.81 . . 1 . . . . . . . . 4001 2
96 . 1 1 12 12 ILE HG21 H 1 0.1 . . 1 . . . . . . . . 4001 2
97 . 1 1 12 12 ILE HG22 H 1 0.1 . . 1 . . . . . . . . 4001 2
98 . 1 1 12 12 ILE HG23 H 1 0.1 . . 1 . . . . . . . . 4001 2
99 . 1 1 12 12 ILE HD11 H 1 0.1 . . 1 . . . . . . . . 4001 2
100 . 1 1 12 12 ILE HD12 H 1 0.1 . . 1 . . . . . . . . 4001 2
101 . 1 1 12 12 ILE HD13 H 1 0.1 . . 1 . . . . . . . . 4001 2
102 . 1 1 12 12 ILE H H 1 8.44 . . 1 . . . . . . . . 4001 2
103 . 1 1 12 12 ILE C C 13 177.86 . . 1 . . . . . . . . 4001 2
104 . 1 1 12 12 ILE CA C 13 66.05 . . 1 . . . . . . . . 4001 2
105 . 1 1 12 12 ILE CB C 13 38.25 . . 1 . . . . . . . . 4001 2
106 . 1 1 12 12 ILE CG1 C 13 38.25 . . 1 . . . . . . . . 4001 2
107 . 1 1 12 12 ILE N N 15 121.21 . . 1 . . . . . . . . 4001 2
108 . 1 1 15 15 PHE HA H 1 3.52 . . 1 . . . . . . . . 4001 2
109 . 1 1 15 15 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 4001 2
110 . 1 1 15 15 PHE HB3 H 1 2.68 . . 2 . . . . . . . . 4001 2
111 . 1 1 15 15 PHE H H 1 8.47 . . 1 . . . . . . . . 4001 2
112 . 1 1 15 15 PHE C C 13 177.74 . . 1 . . . . . . . . 4001 2
113 . 1 1 15 15 PHE CA C 13 62.19 . . 1 . . . . . . . . 4001 2
114 . 1 1 15 15 PHE CB C 13 39.17 . . 1 . . . . . . . . 4001 2
115 . 1 1 15 15 PHE N N 15 119.76 . . 1 . . . . . . . . 4001 2
stop_
save_