Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6827
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_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 TOCSY' 1 $sample_1 isotropic 6827 1
2 NOESY 1 $sample_1 isotropic 6827 1
3 ROESY 1 $sample_1 isotropic 6827 1
4 COSY 1 $sample_1 isotropic 6827 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 3 3 ALA HA H 1 4.332 0.02 . 1 . . . . 3 ALA HA . 6827 1
2 . 1 1 3 3 ALA HB1 H 1 1.571 0.02 . 1 . . . . 3 ALA HB . 6827 1
3 . 1 1 3 3 ALA HB2 H 1 1.571 0.02 . 1 . . . . 3 ALA HB . 6827 1
4 . 1 1 3 3 ALA HB3 H 1 1.571 0.02 . 1 . . . . 3 ALA HB . 6827 1
5 . 1 1 4 4 LEU H H 1 7.553 0.02 . 1 . . . . 4 LEU H . 6827 1
6 . 1 1 4 4 LEU HA H 1 4.371 0.02 . 1 . . . . 4 LEU HA . 6827 1
7 . 1 1 4 4 LEU HB2 H 1 1.903 0.02 . 2 . . . . 4 LEU HB2 . 6827 1
8 . 1 1 4 4 LEU HB3 H 1 1.858 0.02 . 2 . . . . 4 LEU HB3 . 6827 1
9 . 1 1 4 4 LEU HD11 H 1 1.134 0.02 . 1 . . . . 4 LEU HD1 . 6827 1
10 . 1 1 4 4 LEU HD12 H 1 1.134 0.02 . 1 . . . . 4 LEU HD1 . 6827 1
11 . 1 1 4 4 LEU HD13 H 1 1.134 0.02 . 1 . . . . 4 LEU HD1 . 6827 1
12 . 1 1 4 4 LEU HD21 H 1 1.059 0.02 . 1 . . . . 4 LEU HD2 . 6827 1
13 . 1 1 4 4 LEU HD22 H 1 1.059 0.02 . 1 . . . . 4 LEU HD2 . 6827 1
14 . 1 1 4 4 LEU HD23 H 1 1.059 0.02 . 1 . . . . 4 LEU HD2 . 6827 1
15 . 1 1 5 5 LEU H H 1 7.729 0.02 . 1 . . . . 5 LEU H . 6827 1
16 . 1 1 5 5 LEU HA H 1 4.303 0.02 . 1 . . . . 5 LEU HA . 6827 1
17 . 1 1 5 5 LEU HB2 H 1 2.049 0.02 . 2 . . . . 5 LEU HB2 . 6827 1
18 . 1 1 5 5 LEU HB3 H 1 1.896 0.02 . 2 . . . . 5 LEU HB3 . 6827 1
19 . 1 1 5 5 LEU HG H 1 1.792 0.02 . 1 . . . . 5 LEU HG . 6827 1
20 . 1 1 5 5 LEU HD11 H 1 1.106 0.02 . 1 . . . . 5 LEU HD1 . 6827 1
21 . 1 1 5 5 LEU HD12 H 1 1.106 0.02 . 1 . . . . 5 LEU HD1 . 6827 1
22 . 1 1 5 5 LEU HD13 H 1 1.106 0.02 . 1 . . . . 5 LEU HD1 . 6827 1
23 . 1 1 5 5 LEU HD21 H 1 1.056 0.02 . 1 . . . . 5 LEU HD2 . 6827 1
24 . 1 1 5 5 LEU HD22 H 1 1.056 0.02 . 1 . . . . 5 LEU HD2 . 6827 1
25 . 1 1 5 5 LEU HD23 H 1 1.056 0.02 . 1 . . . . 5 LEU HD2 . 6827 1
26 . 1 1 6 6 ALA H H 1 8.009 0.02 . 9 . . . . 6 ALA H . 6827 1
27 . 1 1 6 6 ALA HA H 1 4.231 0.02 . 9 . . . . 6 ALA HA . 6827 1
28 . 1 1 6 6 ALA HB1 H 1 1.654 0.02 . 1 . . . . 6 ALA HB . 6827 1
29 . 1 1 6 6 ALA HB2 H 1 1.654 0.02 . 1 . . . . 6 ALA HB . 6827 1
30 . 1 1 6 6 ALA HB3 H 1 1.654 0.02 . 1 . . . . 6 ALA HB . 6827 1
31 . 1 1 7 7 LEU H H 1 7.889 0.02 . 1 . . . . 7 LEU H . 6827 1
32 . 1 1 7 7 LEU HA H 1 4.311 0.02 . 9 . . . . 7 LEU HA . 6827 1
33 . 1 1 7 7 LEU HB2 H 1 2.032 0.02 . 2 . . . . 7 LEU HB2 . 6827 1
34 . 1 1 7 7 LEU HG H 1 1.908 0.02 . 1 . . . . 7 LEU HG . 6827 1
35 . 1 1 7 7 LEU HD11 H 1 1.088 0.02 . 1 . . . . 7 LEU HD1 . 6827 1
36 . 1 1 7 7 LEU HD12 H 1 1.088 0.02 . 1 . . . . 7 LEU HD1 . 6827 1
37 . 1 1 7 7 LEU HD13 H 1 1.088 0.02 . 1 . . . . 7 LEU HD1 . 6827 1
38 . 1 1 7 7 LEU HD21 H 1 1.038 0.02 . 1 . . . . 7 LEU HD2 . 6827 1
39 . 1 1 7 7 LEU HD22 H 1 1.038 0.02 . 1 . . . . 7 LEU HD2 . 6827 1
40 . 1 1 7 7 LEU HD23 H 1 1.038 0.02 . 1 . . . . 7 LEU HD2 . 6827 1
41 . 1 1 8 8 ALA H H 1 8.353 0.02 . 9 . . . . 8 ALA H . 6827 1
42 . 1 1 8 8 ALA HA H 1 4.320 0.02 . 9 . . . . 8 ALA HA . 6827 1
43 . 1 1 8 8 ALA HB1 H 1 1.725 0.02 . 1 . . . . 8 ALA HB . 6827 1
44 . 1 1 8 8 ALA HB2 H 1 1.725 0.02 . 1 . . . . 8 ALA HB . 6827 1
45 . 1 1 8 8 ALA HB3 H 1 1.725 0.02 . 1 . . . . 8 ALA HB . 6827 1
46 . 1 1 9 9 LEU H H 1 8.592 0.02 . 9 . . . . 9 LEU H . 6827 1
47 . 1 1 9 9 LEU HA H 1 4.318 0.02 . 9 . . . . 9 LEU HA . 6827 1
48 . 1 1 9 9 LEU HB2 H 1 1.976 0.02 . 2 . . . . 9 LEU HB2 . 6827 1
49 . 1 1 9 9 LEU HG H 1 1.802 0.02 . 1 . . . . 9 LEU HG . 6827 1
50 . 1 1 9 9 LEU HD11 H 1 1.043 0.02 . 2 . . . . 9 LEU HD1 . 6827 1
51 . 1 1 9 9 LEU HD12 H 1 1.043 0.02 . 2 . . . . 9 LEU HD1 . 6827 1
52 . 1 1 9 9 LEU HD13 H 1 1.043 0.02 . 2 . . . . 9 LEU HD1 . 6827 1
53 . 1 1 10 10 HIS H H 1 8.253 0.02 . 9 . . . . 10 HIS H . 6827 1
54 . 1 1 10 10 HIS HA H 1 4.457 0.02 . 1 . . . . 10 HIS HA . 6827 1
55 . 1 1 10 10 HIS HB2 H 1 3.464 0.02 . 2 . . . . 10 HIS HB2 . 6827 1
56 . 1 1 10 10 HIS HD2 H 1 7.009 0.02 . 1 . . . . 10 HIS HD2 . 6827 1
57 . 1 1 10 10 HIS HE1 H 1 7.878 0.02 . 9 . . . . 10 HIS HE1 . 6827 1
58 . 1 1 11 11 HIS H H 1 8.460 0.02 . 9 . . . . 11 HIS H . 6827 1
59 . 1 1 11 11 HIS HA H 1 4.560 0.02 . 1 . . . . 11 HIS HA . 6827 1
60 . 1 1 11 11 HIS HB2 H 1 3.474 0.02 . 2 . . . . 11 HIS HB2 . 6827 1
61 . 1 1 11 11 HIS HD2 H 1 7.104 0.02 . 1 . . . . 11 HIS HD2 . 6827 1
62 . 1 1 11 11 HIS HE1 H 1 7.840 0.02 . 1 . . . . 11 HIS HE1 . 6827 1
63 . 1 1 12 12 LEU H H 1 8.677 0.02 . 1 . . . . 12 LEU H . 6827 1
64 . 1 1 12 12 LEU HA H 1 4.267 0.02 . 1 . . . . 12 LEU HA . 6827 1
65 . 1 1 12 12 LEU HB2 H 1 2.042 0.02 . 2 . . . . 12 LEU HB2 . 6827 1
66 . 1 1 12 12 LEU HG H 1 1.865 0.02 . 1 . . . . 12 LEU HG . 6827 1
67 . 1 1 12 12 LEU HD11 H 1 1.081 0.02 . 2 . . . . 12 LEU HD1 . 6827 1
68 . 1 1 12 12 LEU HD12 H 1 1.081 0.02 . 2 . . . . 12 LEU HD1 . 6827 1
69 . 1 1 12 12 LEU HD13 H 1 1.081 0.02 . 2 . . . . 12 LEU HD1 . 6827 1
70 . 1 1 13 13 ALA H H 1 8.456 0.02 . 9 . . . . 13 ALA H . 6827 1
71 . 1 1 13 13 ALA HA H 1 4.217 0.02 . 1 . . . . 13 ALA HA . 6827 1
72 . 1 1 13 13 ALA HB1 H 1 1.608 0.02 . 1 . . . . 13 ALA HB . 6827 1
73 . 1 1 13 13 ALA HB2 H 1 1.608 0.02 . 1 . . . . 13 ALA HB . 6827 1
74 . 1 1 13 13 ALA HB3 H 1 1.608 0.02 . 1 . . . . 13 ALA HB . 6827 1
75 . 1 1 14 14 HIS H H 1 7.976 0.02 . 9 . . . . 14 HIS H . 6827 1
76 . 1 1 14 14 HIS HA H 1 4.429 0.02 . 1 . . . . 14 HIS HA . 6827 1
77 . 1 1 14 14 HIS HB2 H 1 3.405 0.02 . 1 . . . . 14 HIS HB2 . 6827 1
78 . 1 1 14 14 HIS HB3 H 1 3.351 0.02 . 1 . . . . 14 HIS HB3 . 6827 1
79 . 1 1 14 14 HIS HD2 H 1 7.085 0.02 . 1 . . . . 14 HIS HD2 . 6827 1
80 . 1 1 14 14 HIS HE1 H 1 7.808 0.02 . 1 . . . . 14 HIS HE1 . 6827 1
81 . 1 1 15 15 LEU H H 1 8.343 0.02 . 9 . . . . 15 LEU H . 6827 1
82 . 1 1 15 15 LEU HA H 1 4.277 0.02 . 9 . . . . 15 LEU HA . 6827 1
83 . 1 1 15 15 LEU HB2 H 1 1.945 0.02 . 2 . . . . 15 LEU HB2 . 6827 1
84 . 1 1 15 15 LEU HG H 1 1.824 0.02 . 1 . . . . 15 LEU HG . 6827 1
85 . 1 1 15 15 LEU HD11 H 1 1.040 0.02 . 2 . . . . 15 LEU HD1 . 6827 1
86 . 1 1 15 15 LEU HD12 H 1 1.040 0.02 . 2 . . . . 15 LEU HD1 . 6827 1
87 . 1 1 15 15 LEU HD13 H 1 1.040 0.02 . 2 . . . . 15 LEU HD1 . 6827 1
88 . 1 1 16 16 ALA H H 1 8.597 0.02 . 1 . . . . 16 ALA H . 6827 1
89 . 1 1 16 16 ALA HA H 1 4.179 0.02 . 1 . . . . 16 ALA HA . 6827 1
90 . 1 1 16 16 ALA HB1 H 1 1.651 0.02 . 1 . . . . 16 ALA HB . 6827 1
91 . 1 1 16 16 ALA HB2 H 1 1.651 0.02 . 1 . . . . 16 ALA HB . 6827 1
92 . 1 1 16 16 ALA HB3 H 1 1.651 0.02 . 1 . . . . 16 ALA HB . 6827 1
93 . 1 1 17 17 LEU H H 1 7.996 0.02 . 9 . . . . 17 LEU H . 6827 1
94 . 1 1 17 17 LEU HA H 1 4.275 0.02 . 9 . . . . 17 LEU HA . 6827 1
95 . 1 1 17 17 LEU HB2 H 1 1.874 0.02 . 2 . . . . 17 LEU HB2 . 6827 1
96 . 1 1 17 17 LEU HG H 1 1.791 0.02 . 1 . . . . 17 LEU HG . 6827 1
97 . 1 1 17 17 LEU HD11 H 1 0.998 0.02 . 2 . . . . 17 LEU HD1 . 6827 1
98 . 1 1 17 17 LEU HD12 H 1 0.998 0.02 . 2 . . . . 17 LEU HD1 . 6827 1
99 . 1 1 17 17 LEU HD13 H 1 0.998 0.02 . 2 . . . . 17 LEU HD1 . 6827 1
100 . 1 1 18 18 HIS H H 1 8.107 0.02 . 1 . . . . 18 HIS H . 6827 1
101 . 1 1 18 18 HIS HA H 1 4.315 0.02 . 9 . . . . 18 HIS HA . 6827 1
102 . 1 1 18 18 HIS HB2 H 1 3.409 0.02 . 1 . . . . 18 HIS HB2 . 6827 1
103 . 1 1 18 18 HIS HB3 H 1 3.356 0.02 . 1 . . . . 18 HIS HB3 . 6827 1
104 . 1 1 18 18 HIS HD2 H 1 7.050 0.02 . 1 . . . . 18 HIS HD2 . 6827 1
105 . 1 1 18 18 HIS HE1 H 1 7.831 0.02 . 1 . . . . 18 HIS HE1 . 6827 1
106 . 1 1 19 19 LEU H H 1 8.585 0.02 . 9 . . . . 19 LEU H . 6827 1
107 . 1 1 19 19 LEU HA H 1 4.269 0.02 . 9 . . . . 19 LEU HA . 6827 1
108 . 1 1 19 19 LEU HB2 H 1 2.043 0.02 . 2 . . . . 19 LEU HB2 . 6827 1
109 . 1 1 19 19 LEU HG H 1 1.721 0.02 . 1 . . . . 19 LEU HG . 6827 1
110 . 1 1 19 19 LEU HD11 H 1 1.045 0.02 . 2 . . . . 19 LEU HD1 . 6827 1
111 . 1 1 19 19 LEU HD12 H 1 1.045 0.02 . 2 . . . . 19 LEU HD1 . 6827 1
112 . 1 1 19 19 LEU HD13 H 1 1.045 0.02 . 2 . . . . 19 LEU HD1 . 6827 1
113 . 1 1 20 20 ALA H H 1 8.269 0.02 . 9 . . . . 20 ALA H . 6827 1
114 . 1 1 20 20 ALA HA H 1 4.182 0.02 . 9 . . . . 20 ALA HA . 6827 1
115 . 1 1 20 20 ALA HB1 H 1 1.676 0.02 . 9 . . . . 20 ALA HB . 6827 1
116 . 1 1 20 20 ALA HB2 H 1 1.676 0.02 . 9 . . . . 20 ALA HB . 6827 1
117 . 1 1 20 20 ALA HB3 H 1 1.676 0.02 . 9 . . . . 20 ALA HB . 6827 1
118 . 1 1 21 21 LEU H H 1 8.258 0.02 . 9 . . . . 21 LEU H . 6827 1
119 . 1 1 21 21 LEU HA H 1 4.217 0.02 . 9 . . . . 21 LEU HA . 6827 1
120 . 1 1 21 21 LEU HB2 H 1 2.021 0.02 . 2 . . . . 21 LEU HB2 . 6827 1
121 . 1 1 21 21 LEU HG H 1 1.646 0.02 . 9 . . . . 21 LEU HG . 6827 1
122 . 1 1 21 21 LEU HD11 H 1 0.997 0.02 . 2 . . . . 21 LEU HD1 . 6827 1
123 . 1 1 21 21 LEU HD12 H 1 0.997 0.02 . 2 . . . . 21 LEU HD1 . 6827 1
124 . 1 1 21 21 LEU HD13 H 1 0.997 0.02 . 2 . . . . 21 LEU HD1 . 6827 1
125 . 1 1 22 22 ALA H H 1 7.874 0.02 . 1 . . . . 22 ALA H . 6827 1
126 . 1 1 22 22 ALA HA H 1 4.291 0.02 . 9 . . . . 22 ALA HA . 6827 1
127 . 1 1 22 22 ALA HB1 H 1 1.660 0.02 . 1 . . . . 22 ALA HB . 6827 1
128 . 1 1 22 22 ALA HB2 H 1 1.660 0.02 . 1 . . . . 22 ALA HB . 6827 1
129 . 1 1 22 22 ALA HB3 H 1 1.660 0.02 . 1 . . . . 22 ALA HB . 6827 1
130 . 1 1 23 23 LEU H H 1 8.426 0.02 . 1 . . . . 23 LEU H . 6827 1
131 . 1 1 23 23 LEU HA H 1 4.294 0.02 . 1 . . . . 23 LEU HA . 6827 1
132 . 1 1 23 23 LEU HB2 H 1 2.042 0.02 . 2 . . . . 23 LEU HB2 . 6827 1
133 . 1 1 23 23 LEU HG H 1 1.694 0.02 . 1 . . . . 23 LEU HG . 6827 1
134 . 1 1 23 23 LEU HD11 H 1 1.022 0.02 . 2 . . . . 23 LEU HD1 . 6827 1
135 . 1 1 23 23 LEU HD12 H 1 1.022 0.02 . 2 . . . . 23 LEU HD1 . 6827 1
136 . 1 1 23 23 LEU HD13 H 1 1.022 0.02 . 2 . . . . 23 LEU HD1 . 6827 1
137 . 1 1 24 24 LYS H H 1 8.067 0.02 . 1 . . . . 24 LYS H . 6827 1
138 . 1 1 24 24 LYS HA H 1 4.284 0.02 . 1 . . . . 24 LYS HA . 6827 1
139 . 1 1 24 24 LYS HB2 H 1 2.150 0.02 . 1 . . . . 24 LYS HB2 . 6827 1
140 . 1 1 24 24 LYS HG2 H 1 1.709 0.02 . 1 . . . . 24 LYS HG2 . 6827 1
141 . 1 1 24 24 LYS HG3 H 1 1.665 0.02 . 1 . . . . 24 LYS HG3 . 6827 1
142 . 1 1 24 24 LYS HD2 H 1 1.866 0.02 . 2 . . . . 24 LYS HD2 . 6827 1
143 . 1 1 24 24 LYS HE2 H 1 3.151 0.02 . 2 . . . . 24 LYS HE2 . 6827 1
144 . 1 1 25 25 LYS H H 1 8.124 0.02 . 1 . . . . 25 LYS H . 6827 1
145 . 1 1 25 25 LYS HA H 1 4.332 0.02 . 1 . . . . 25 LYS HA . 6827 1
146 . 1 1 25 25 LYS HB2 H 1 2.075 0.02 . 2 . . . . 25 LYS HB2 . 6827 1
147 . 1 1 25 25 LYS HG2 H 1 1.716 0.02 . 1 . . . . 25 LYS HG2 . 6827 1
148 . 1 1 25 25 LYS HG3 H 1 1.653 0.02 . 1 . . . . 25 LYS HG3 . 6827 1
149 . 1 1 25 25 LYS HD2 H 1 1.861 0.02 . 2 . . . . 25 LYS HD2 . 6827 1
150 . 1 1 25 25 LYS HE2 H 1 3.148 0.02 . 2 . . . . 25 LYS HE2 . 6827 1
151 . 1 1 26 26 ALA H H 1 7.974 0.02 . 9 . . . . 26 ALA H . 6827 1
152 . 1 1 26 26 ALA HA H 1 4.388 0.02 . 9 . . . . 26 ALA HA . 6827 1
153 . 1 1 26 26 ALA HB1 H 1 1.632 0.02 . 1 . . . . 26 ALA HB . 6827 1
154 . 1 1 26 26 ALA HB2 H 1 1.632 0.02 . 1 . . . . 26 ALA HB . 6827 1
155 . 1 1 26 26 ALA HB3 H 1 1.632 0.02 . 1 . . . . 26 ALA HB . 6827 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 46 6827 1
1 106 6827 1
2 47 6827 1
2 107 6827 1
3 50 6827 1
3 51 6827 1
3 52 6827 1
3 110 6827 1
3 111 6827 1
3 112 6827 1
stop_
save_