Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15294
_Assigned_chem_shift_list.ID 1
_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 .
_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-1H TOCSY' . . . 15294 1
2 '2D 1H-1H NOESY' . . . 15294 1
3 '2D DQF-COSY' . . . 15294 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 $TOPSPIN . . 15294 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 1 1 MNV H H 1 2.18 0.02 . 1 . . . . 1 MNV H . 15294 1
2 . 1 1 1 1 MNV HA H 1 3.53 0.02 . 1 . . . . 1 MNV HA . 15294 1
3 . 1 1 1 1 MNV HB H 1 2.12 0.02 . 1 . . . . 1 MNV HB . 15294 1
4 . 1 1 1 1 MNV HG11 H 1 0.93 0.02 . 1 . . . . 1 MNV HG1 . 15294 1
5 . 1 1 1 1 MNV HG12 H 1 0.93 0.02 . 1 . . . . 1 MNV HG1 . 15294 1
6 . 1 1 1 1 MNV HG13 H 1 0.93 0.02 . 1 . . . . 1 MNV HG1 . 15294 1
7 . 1 1 1 1 MNV HG21 H 1 1.00 0.02 . 1 . . . . 1 MNV HG2 . 15294 1
8 . 1 1 1 1 MNV HG22 H 1 1.00 0.02 . 1 . . . . 1 MNV HG2 . 15294 1
9 . 1 1 1 1 MNV HG23 H 1 1.00 0.02 . 1 . . . . 1 MNV HG2 . 15294 1
10 . 1 1 2 2 PHE H H 1 9.06 0.02 . 1 . . . . 2 PHE H . 15294 1
11 . 1 1 2 2 PHE HA H 1 4.84 0.02 . 1 . . . . 2 PHE HA . 15294 1
12 . 1 1 2 2 PHE HB2 H 1 2.93 0.02 . 2 . . . . 2 PHE HB2 . 15294 1
13 . 1 1 2 2 PHE HB3 H 1 3.22 0.02 . 2 . . . . 2 PHE HB3 . 15294 1
14 . 1 1 2 2 PHE HD1 H 1 7.29 0.02 . 1 . . . . 2 PHE HD1 . 15294 1
15 . 1 1 2 2 PHE HE1 H 1 7.34 0.02 . 1 . . . . 2 PHE HE1 . 15294 1
16 . 1 1 3 3 ALA H H 1 8.60 0.02 . 1 . . . . 3 ALA H . 15294 1
17 . 1 1 3 3 ALA HA H 1 4.27 0.02 . 1 . . . . 3 ALA HA . 15294 1
18 . 1 1 3 3 ALA HB1 H 1 1.32 0.02 . 1 . . . . 3 ALA HB . 15294 1
19 . 1 1 3 3 ALA HB2 H 1 1.32 0.02 . 1 . . . . 3 ALA HB . 15294 1
20 . 1 1 3 3 ALA HB3 H 1 1.32 0.02 . 1 . . . . 3 ALA HB . 15294 1
21 . 1 1 4 4 GLU H H 1 8.45 0.02 . 1 . . . . 4 GLU H . 15294 1
22 . 1 1 4 4 GLU HA H 1 4.18 0.02 . 1 . . . . 4 GLU HA . 15294 1
23 . 1 1 4 4 GLU HB2 H 1 1.86 0.02 . 2 . . . . 4 GLU HB2 . 15294 1
24 . 1 1 4 4 GLU HB3 H 1 1.92 0.02 . 2 . . . . 4 GLU HB3 . 15294 1
25 . 1 1 4 4 GLU HG2 H 1 2.15 0.02 . 2 . . . . 4 GLU HG2 . 15294 1
26 . 1 1 4 4 GLU HG3 H 1 2.24 0.02 . 2 . . . . 4 GLU HG3 . 15294 1
27 . 1 1 5 5 PHE H H 1 8.48 0.02 . 1 . . . . 5 PHE H . 15294 1
28 . 1 1 5 5 PHE HA H 1 4.63 0.02 . 1 . . . . 5 PHE HA . 15294 1
29 . 1 1 5 5 PHE HB3 H 1 3.05 0.02 . 1 . . . . 5 PHE HB3 . 15294 1
30 . 1 1 5 5 PHE HD1 H 1 7.23 0.02 . 1 . . . . 5 PHE HD1 . 15294 1
31 . 1 1 5 5 PHE HE1 H 1 7.32 0.02 . 1 . . . . 5 PHE HE1 . 15294 1
32 . 1 1 6 6 LEU H H 1 8.18 0.02 . 1 . . . . 6 LEU H . 15294 1
33 . 1 1 6 6 LEU HA H 1 4.59 0.02 . 1 . . . . 6 LEU HA . 15294 1
34 . 1 1 6 6 LEU HB3 H 1 1.49 0.02 . 1 . . . . 6 LEU HB3 . 15294 1
35 . 1 1 6 6 LEU HD21 H 1 0.88 0.02 . 1 . . . . 6 LEU HD2 . 15294 1
36 . 1 1 6 6 LEU HD22 H 1 0.88 0.02 . 1 . . . . 6 LEU HD2 . 15294 1
37 . 1 1 6 6 LEU HD23 H 1 0.88 0.02 . 1 . . . . 6 LEU HD2 . 15294 1
38 . 1 1 6 6 LEU HG H 1 1.54 0.02 . 1 . . . . 6 LEU HG . 15294 1
39 . 1 1 7 7 PRO HA H 1 4.56 0.02 . 1 . . . . 7 PRO HA . 15294 1
40 . 1 1 7 7 PRO HB2 H 1 1.55 0.02 . 2 . . . . 7 PRO HB2 . 15294 1
41 . 1 1 7 7 PRO HB3 H 1 2.21 0.02 . 2 . . . . 7 PRO HB3 . 15294 1
42 . 1 1 7 7 PRO HD2 H 1 3.59 0.02 . 2 . . . . 7 PRO HD2 . 15294 1
43 . 1 1 7 7 PRO HD3 H 1 3.70 0.02 . 2 . . . . 7 PRO HD3 . 15294 1
44 . 1 1 7 7 PRO HG3 H 1 1.54 0.02 . 1 . . . . 7 PRO HG3 . 15294 1
45 . 1 1 8 8 2ML H H 1 2.80 0.02 . 1 . . . . 8 2ML H . 15294 1
46 . 1 1 8 8 2ML HA H 1 4.56 0.02 . 1 . . . . 8 2ML HA . 15294 1
47 . 1 1 8 8 2ML HB3 H 1 1.56 0.02 . 1 . . . . 8 2ML HB3 . 15294 1
48 . 1 1 8 8 2ML HD11 H 1 0.79 0.02 . 1 . . . . 8 2ML HD1 . 15294 1
49 . 1 1 8 8 2ML HD12 H 1 0.79 0.02 . 1 . . . . 8 2ML HD1 . 15294 1
50 . 1 1 8 8 2ML HD13 H 1 0.79 0.02 . 1 . . . . 8 2ML HD1 . 15294 1
51 . 1 1 8 8 2ML HD21 H 1 0.89 0.02 . 1 . . . . 8 2ML HD2 . 15294 1
52 . 1 1 8 8 2ML HD22 H 1 0.89 0.02 . 1 . . . . 8 2ML HD2 . 15294 1
53 . 1 1 8 8 2ML HD23 H 1 0.89 0.02 . 1 . . . . 8 2ML HD2 . 15294 1
54 . 1 1 8 8 2ML HG H 1 1.41 0.02 . 1 . . . . 8 2ML HG . 15294 1
55 . 1 1 9 9 PHE H H 1 8.04 0.02 . 1 . . . . 9 PHE H . 15294 1
56 . 1 1 9 9 PHE HA H 1 4.66 0.02 . 1 . . . . 9 PHE HA . 15294 1
57 . 1 1 9 9 PHE HB2 H 1 2.95 0.02 . 2 . . . . 9 PHE HB2 . 15294 1
58 . 1 1 9 9 PHE HB3 H 1 3.18 0.02 . 2 . . . . 9 PHE HB3 . 15294 1
59 . 1 1 9 9 PHE HD1 H 1 7.24 0.02 . 1 . . . . 9 PHE HD1 . 15294 1
60 . 1 1 9 9 PHE HE1 H 1 7.35 0.02 . 1 . . . . 9 PHE HE1 . 15294 1
61 . 1 1 10 10 SER H H 1 8.44 0.02 . 1 . . . . 10 SER H . 15294 1
62 . 1 1 10 10 SER HA H 1 4.40 0.02 . 1 . . . . 10 SER HA . 15294 1
63 . 1 1 10 10 SER HB2 H 1 3.77 0.02 . 2 . . . . 10 SER HB2 . 15294 1
64 . 1 1 10 10 SER HB3 H 1 3.85 0.02 . 2 . . . . 10 SER HB3 . 15294 1
65 . 1 1 11 11 LYS H H 1 8.47 0.02 . 1 . . . . 11 LYS H . 15294 1
66 . 1 1 11 11 LYS HA H 1 4.17 0.02 . 1 . . . . 11 LYS HA . 15294 1
67 . 1 1 11 11 LYS HB2 H 1 1.57 0.02 . 2 . . . . 11 LYS HB2 . 15294 1
68 . 1 1 11 11 LYS HB3 H 1 1.62 0.02 . 2 . . . . 11 LYS HB3 . 15294 1
69 . 1 1 11 11 LYS HD3 H 1 1.59 0.02 . 1 . . . . 11 LYS HD3 . 15294 1
70 . 1 1 11 11 LYS HE3 H 1 2.91 0.02 . 1 . . . . 11 LYS HE3 . 15294 1
71 . 1 1 11 11 LYS HG3 H 1 1.17 0.02 . 1 . . . . 11 LYS HG3 . 15294 1
72 . 1 1 11 11 LYS HZ1 H 1 7.59 0.02 . 1 . . . . 11 LYS HZ . 15294 1
73 . 1 1 11 11 LYS HZ2 H 1 7.59 0.02 . 1 . . . . 11 LYS HZ . 15294 1
74 . 1 1 11 11 LYS HZ3 H 1 7.59 0.02 . 1 . . . . 11 LYS HZ . 15294 1
75 . 1 1 12 12 PHE H H 1 8.22 0.02 . 1 . . . . 12 PHE H . 15294 1
76 . 1 1 12 12 PHE HA H 1 4.73 0.02 . 1 . . . . 12 PHE HA . 15294 1
77 . 1 1 12 12 PHE HB2 H 1 2.94 0.02 . 2 . . . . 12 PHE HB2 . 15294 1
78 . 1 1 12 12 PHE HB3 H 1 3.27 0.02 . 2 . . . . 12 PHE HB3 . 15294 1
79 . 1 1 12 12 PHE HD1 H 1 7.27 0.02 . 1 . . . . 12 PHE HD1 . 15294 1
80 . 1 1 12 12 PHE HE1 H 1 7.36 0.02 . 1 . . . . 12 PHE HE1 . 15294 1
81 . 1 1 13 13 GLY H H 1 8.16 0.02 . 1 . . . . 13 GLY H . 15294 1
82 . 1 1 13 13 GLY HA2 H 1 4.14 0.02 . 2 . . . . 13 GLY HA2 . 15294 1
83 . 1 1 13 13 GLY HA3 H 1 4.20 0.02 . 2 . . . . 13 GLY HA3 . 15294 1
84 . 1 1 14 14 MethylSER H H 1 3.08 0.02 . 1 . . . . 14 MethylSER H . 15294 1
85 . 1 1 14 14 MethylSER HA H 1 4.91 0.02 . 1 . . . . 14 MethylSER HA . 15294 1
86 . 1 1 14 14 MethylSER HB2 H 1 3.95 0.02 . 2 . . . . 14 MethylSER HB2 . 15294 1
87 . 1 1 14 14 MethylSER HB3 H 1 4.03 0.02 . 2 . . . . 14 MethylSER HB3 . 15294 1
88 . 1 1 15 15 ARG H H 1 8.46 0.02 . 1 . . . . 15 ARG H . 15294 1
89 . 1 1 15 15 ARG HA H 1 4.3 0.02 . 1 . . . . 15 ARG HA . 15294 1
90 . 1 1 15 15 ARG HB2 H 1 1.72 0.02 . 2 . . . . 15 ARG HB2 . 15294 1
91 . 1 1 15 15 ARG HB3 H 1 1.83 0.02 . 2 . . . . 15 ARG HB3 . 15294 1
92 . 1 1 15 15 ARG HD3 H 1 3.16 0.02 . 1 . . . . 15 ARG HD3 . 15294 1
93 . 1 1 15 15 ARG HE H 1 7.24 0.02 . 1 . . . . 15 ARG HE . 15294 1
94 . 1 1 15 15 ARG HG2 H 1 1.57 0.02 . 2 . . . . 15 ARG HG2 . 15294 1
95 . 1 1 15 15 ARG HG3 H 1 1.60 0.02 . 2 . . . . 15 ARG HG3 . 15294 1
96 . 1 1 16 16 MET H H 1 8.52 0.02 . 1 . . . . 16 MET H . 15294 1
97 . 1 1 16 16 MET HA H 1 4.41 0.02 . 1 . . . . 16 MET HA . 15294 1
98 . 1 1 16 16 MET HB3 H 1 1.96 0.02 . 1 . . . . 16 MET HB3 . 15294 1
99 . 1 1 16 16 MET HG2 H 1 2.47 0.02 . 2 . . . . 16 MET HG2 . 15294 1
100 . 1 1 16 16 MET HG3 H 1 2.55 0.02 . 2 . . . . 16 MET HG3 . 15294 1
101 . 1 1 17 17 HIS H H 1 8.71 0.02 . 1 . . . . 17 HIS H . 15294 1
102 . 1 1 17 17 HIS HA H 1 4.70 0.02 . 1 . . . . 17 HIS HA . 15294 1
103 . 1 1 17 17 HIS HB2 H 1 3.12 0.02 . 2 . . . . 17 HIS HB2 . 15294 1
104 . 1 1 17 17 HIS HB3 H 1 3.20 0.02 . 2 . . . . 17 HIS HB3 . 15294 1
105 . 1 1 17 17 HIS HD2 H 1 7.25 0.02 . 1 . . . . 17 HIS HD2 . 15294 1
106 . 1 1 17 17 HIS HE1 H 1 8.58 0.02 . 1 . . . . 17 HIS HE1 . 15294 1
107 . 1 1 18 18 ILE H H 1 8.39 0.02 . 1 . . . . 18 ILE H . 15294 1
108 . 1 1 18 18 ILE HA H 1 4.11 0.02 . 1 . . . . 18 ILE HA . 15294 1
109 . 1 1 18 18 ILE HB H 1 1.81 0.02 . 1 . . . . 18 ILE HB . 15294 1
110 . 1 1 18 18 ILE HD11 H 1 0.83 0.02 . 1 . . . . 18 ILE HD1 . 15294 1
111 . 1 1 18 18 ILE HD12 H 1 0.83 0.02 . 1 . . . . 18 ILE HD1 . 15294 1
112 . 1 1 18 18 ILE HD13 H 1 0.83 0.02 . 1 . . . . 18 ILE HD1 . 15294 1
113 . 1 1 18 18 ILE HG12 H 1 1.15 0.02 . 1 . . . . 18 ILE HG12 . 15294 1
114 . 1 1 18 18 ILE HG13 H 1 1.44 0.02 . 1 . . . . 18 ILE HG13 . 15294 1
115 . 1 1 18 18 ILE HG21 H 1 0.87 0.02 . 1 . . . . 18 ILE HG2 . 15294 1
116 . 1 1 18 18 ILE HG22 H 1 0.87 0.02 . 1 . . . . 18 ILE HG2 . 15294 1
117 . 1 1 18 18 ILE HG23 H 1 0.87 0.02 . 1 . . . . 18 ILE HG2 . 15294 1
118 . 1 1 19 19 LEU H H 1 8.57 0.02 . 1 . . . . 19 LEU H . 15294 1
119 . 1 1 19 19 LEU HA H 1 4.38 0.02 . 1 . . . . 19 LEU HA . 15294 1
120 . 1 1 19 19 LEU HB3 H 1 1.62 0.02 . 1 . . . . 19 LEU HB3 . 15294 1
121 . 1 1 19 19 LEU HD11 H 1 0.87 0.02 . 1 . . . . 19 LEU HD1 . 15294 1
122 . 1 1 19 19 LEU HD12 H 1 0.87 0.02 . 1 . . . . 19 LEU HD1 . 15294 1
123 . 1 1 19 19 LEU HD13 H 1 0.87 0.02 . 1 . . . . 19 LEU HD1 . 15294 1
124 . 1 1 19 19 LEU HD21 H 1 0.93 0.02 . 1 . . . . 19 LEU HD2 . 15294 1
125 . 1 1 19 19 LEU HD22 H 1 0.93 0.02 . 1 . . . . 19 LEU HD2 . 15294 1
126 . 1 1 19 19 LEU HD23 H 1 0.93 0.02 . 1 . . . . 19 LEU HD2 . 15294 1
127 . 1 1 20 20 LYS H H 1 8 0.02 . 1 . . . . 20 LYS H . 15294 1
128 . 1 1 20 20 LYS HA H 1 4.14 0.02 . 1 . . . . 20 LYS HA . 15294 1
129 . 1 1 20 20 LYS HB2 H 1 1.71 0.02 . 2 . . . . 20 LYS HB2 . 15294 1
130 . 1 1 20 20 LYS HB3 H 1 1.79 0.02 . 2 . . . . 20 LYS HB3 . 15294 1
131 . 1 1 20 20 LYS HD3 H 1 1.65 0.02 . 1 . . . . 20 LYS HD3 . 15294 1
132 . 1 1 20 20 LYS HE3 H 1 2.96 0.02 . 1 . . . . 20 LYS HE3 . 15294 1
133 . 1 1 20 20 LYS HG3 H 1 1.38 0.02 . 1 . . . . 20 LYS HG3 . 15294 1
134 . 1 1 20 20 LYS HZ1 H 1 7.59 0.02 . 1 . . . . 20 LYS HZ . 15294 1
135 . 1 1 20 20 LYS HZ2 H 1 7.59 0.02 . 1 . . . . 20 LYS HZ . 15294 1
136 . 1 1 20 20 LYS HZ3 H 1 7.59 0.02 . 1 . . . . 20 LYS HZ . 15294 1
stop_
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