Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 11606
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_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
4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11606 2
5 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11606 2
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 1 1 ALA HA H 1 4.294 0.040 . 1 . . . . B 1 ALA HA . 11606 2
2 . 2 . 2 1 1 ALA HB1 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB1 . 11606 2
3 . 2 . 2 1 1 ALA HB2 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB2 . 11606 2
4 . 2 . 2 1 1 ALA HB3 H 1 1.302 0.040 . 1 . . . . B 1 ALA HB3 . 11606 2
5 . 2 . 2 1 1 ALA H H 1 8.134 0.040 . 1 . . . . B 1 ALA H1 . 11606 2
6 . 2 . 2 3 3 THR H H 1 8.447 0.040 . 1 . . . . B 3 THR H . 11606 2
7 . 2 . 2 3 3 THR HA H 1 4.404 0.040 . 1 . . . . B 3 THR HA . 11606 2
8 . 2 . 2 3 3 THR HB H 1 4.296 0.040 . 1 . . . . B 3 THR HB . 11606 2
9 . 2 . 2 3 3 THR HG21 H 1 1.211 0.040 . 1 . . . . B 3 THR HG21 . 11606 2
10 . 2 . 2 3 3 THR HG22 H 1 1.211 0.040 . 1 . . . . B 3 THR HG22 . 11606 2
11 . 2 . 2 3 3 THR HG23 H 1 1.211 0.040 . 1 . . . . B 3 THR HG23 . 11606 2
12 . 2 . 2 4 4 LYS H H 1 8.185 0.040 . 1 . . . . B 4 LYS H . 11606 2
13 . 2 . 2 4 4 LYS HA H 1 4.311 0.040 . 1 . . . . B 4 LYS HA . 11606 2
14 . 2 . 2 4 4 LYS HB2 H 1 1.676 0.040 . 2 . . . . B 4 LYS HB2 . 11606 2
15 . 2 . 2 4 4 LYS HB3 H 1 1.676 0.040 . 2 . . . . B 4 LYS HB3 . 11606 2
16 . 2 . 2 4 4 LYS HG2 H 1 1.391 0.040 . 2 . . . . B 4 LYS HG2 . 11606 2
17 . 2 . 2 4 4 LYS HG3 H 1 1.391 0.040 . 2 . . . . B 4 LYS HG3 . 11606 2
18 . 2 . 2 4 4 LYS HD2 H 1 1.635 0.040 . 2 . . . . B 4 LYS HD2 . 11606 2
19 . 2 . 2 4 4 LYS HD3 H 1 1.635 0.040 . 2 . . . . B 4 LYS HD3 . 11606 2
20 . 2 . 2 4 4 LYS HE2 H 1 2.910 0.040 . 2 . . . . B 4 LYS HE2 . 11606 2
21 . 2 . 2 4 4 LYS HE3 H 1 2.910 0.040 . 2 . . . . B 4 LYS HE3 . 11606 2
22 . 2 . 2 5 5 GLN H H 1 8.387 0.040 . 1 . . . . B 5 GLN H . 11606 2
23 . 2 . 2 5 5 GLN HA H 1 4.339 0.040 . 1 . . . . B 5 GLN HA . 11606 2
24 . 2 . 2 5 5 GLN HB2 H 1 2.044 0.040 . 2 . . . . B 5 GLN HB2 . 11606 2
25 . 2 . 2 5 5 GLN HB3 H 1 1.927 0.040 . 2 . . . . B 5 GLN HB3 . 11606 2
26 . 2 . 2 5 5 GLN HG2 H 1 2.263 0.040 . 2 . . . . B 5 GLN HG2 . 11606 2
27 . 2 . 2 5 5 GLN HG3 H 1 2.263 0.040 . 2 . . . . B 5 GLN HG3 . 11606 2
28 . 2 . 2 5 5 GLN HE21 H 1 7.073 0.040 . 2 . . . . B 5 GLN HE21 . 11606 2
29 . 2 . 2 5 5 GLN HE22 H 1 6.790 0.040 . 2 . . . . B 5 GLN HE22 . 11606 2
30 . 2 . 2 6 6 THR HA H 1 4.689 0.040 . 1 . . . . B 6 THR HA . 11606 2
31 . 2 . 2 6 6 THR HB H 1 5.539 0.040 . 1 . . . . B 6 THR HB . 11606 2
32 . 2 . 2 6 6 THR HG21 H 1 0.971 0.040 . 1 . . . . B 6 THR HG21 . 11606 2
33 . 2 . 2 6 6 THR HG22 H 1 0.971 0.040 . 1 . . . . B 6 THR HG22 . 11606 2
34 . 2 . 2 6 6 THR HG23 H 1 0.971 0.040 . 1 . . . . B 6 THR HG23 . 11606 2
35 . 2 . 2 7 7 ALA H H 1 8.210 0.040 . 1 . . . . B 7 ALA H . 11606 2
36 . 2 . 2 7 7 ALA HA H 1 4.140 0.040 . 1 . . . . B 7 ALA HA . 11606 2
37 . 2 . 2 7 7 ALA HB1 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB1 . 11606 2
38 . 2 . 2 7 7 ALA HB2 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB2 . 11606 2
39 . 2 . 2 7 7 ALA HB3 H 1 1.426 0.040 . 1 . . . . B 7 ALA HB3 . 11606 2
40 . 2 . 2 8 8 ARG HA H 1 4.884 0.040 . 1 . . . . B 8 ARG HA . 11606 2
41 . 2 . 2 8 8 ARG HG2 H 1 1.679 0.040 . 2 . . . . B 8 ARG HG2 . 11606 2
42 . 2 . 2 8 8 ARG HG3 H 1 1.679 0.040 . 2 . . . . B 8 ARG HG3 . 11606 2
43 . 2 . 2 8 8 ARG HD2 H 1 3.170 0.040 . 2 . . . . B 8 ARG HD2 . 11606 2
44 . 2 . 2 8 8 ARG HD3 H 1 3.170 0.040 . 2 . . . . B 8 ARG HD3 . 11606 2
45 . 2 . 2 9 9 M3L H H 1 8.255 0.040 . 1 . . . . B 9 M3L H . 11606 2
46 . 2 . 2 9 9 M3L HA H 1 4.694 0.040 . 1 . . . . B 9 M3L HA . 11606 2
47 . 2 . 2 9 9 M3L HE1 H 1 0.887 0.040 . 2 . . . . B 9 M3L HE1 . 11606 2
48 . 2 . 2 9 9 M3L HE2 H 1 0.887 0.040 . 2 . . . . B 9 M3L HE2 . 11606 2
49 . 2 . 2 9 9 M3L HG1 H 1 0.897 0.040 . 2 . . . . B 9 M3L HG1 . 11606 2
50 . 2 . 2 9 9 M3L HG2 H 1 0.835 0.040 . 2 . . . . B 9 M3L HG2 . 11606 2
51 . 2 . 2 9 9 M3L HM11 H 1 1.439 0.040 . 1 . . . . B 9 M3L HM11 . 11606 2
52 . 2 . 2 9 9 M3L HM12 H 1 1.437 0.040 . 1 . . . . B 9 M3L HM12 . 11606 2
53 . 2 . 2 9 9 M3L HM21 H 1 1.436 0.040 . 1 . . . . B 9 M3L HM21 . 11606 2
54 . 2 . 2 9 9 M3L HM22 H 1 1.381 0.040 . 1 . . . . B 9 M3L HM22 . 11606 2
55 . 2 . 2 9 9 M3L HM31 H 1 1.439 0.040 . 1 . . . . B 9 M3L HM31 . 11606 2
56 . 2 . 2 9 9 M3L HM32 H 1 1.438 0.040 . 1 . . . . B 9 M3L HM32 . 11606 2
57 . 2 . 2 10 10 SER HB2 H 1 3.995 0.040 . 2 . . . . B 10 SER HB2 . 11606 2
58 . 2 . 2 10 10 SER HB3 H 1 3.995 0.040 . 2 . . . . B 10 SER HB3 . 11606 2
59 . 2 . 2 11 11 THR HA H 1 4.470 0.040 . 1 . . . . B 11 THR HA . 11606 2
60 . 2 . 2 11 11 THR HB H 1 4.222 0.040 . 1 . . . . B 11 THR HB . 11606 2
61 . 2 . 2 11 11 THR HG21 H 1 1.386 0.040 . 1 . . . . B 11 THR HG21 . 11606 2
62 . 2 . 2 11 11 THR HG22 H 1 1.386 0.040 . 1 . . . . B 11 THR HG22 . 11606 2
63 . 2 . 2 11 11 THR HG23 H 1 1.386 0.040 . 1 . . . . B 11 THR HG23 . 11606 2
64 . 2 . 2 12 12 GLY H H 1 8.358 0.040 . 1 . . . . B 12 GLY H . 11606 2
65 . 2 . 2 12 12 GLY HA2 H 1 3.958 0.040 . 2 . . . . B 12 GLY HA2 . 11606 2
66 . 2 . 2 12 12 GLY HA3 H 1 3.958 0.040 . 2 . . . . B 12 GLY HA3 . 11606 2
67 . 2 . 2 14 14 LYS H H 1 8.383 0.040 . 1 . . . . B 14 LYS H . 11606 2
68 . 2 . 2 14 14 LYS HA H 1 4.275 0.040 . 1 . . . . B 14 LYS HA . 11606 2
69 . 2 . 2 14 14 LYS HB2 H 1 1.727 0.040 . 2 . . . . B 14 LYS HB2 . 11606 2
70 . 2 . 2 14 14 LYS HB3 H 1 1.727 0.040 . 2 . . . . B 14 LYS HB3 . 11606 2
71 . 2 . 2 14 14 LYS HG2 H 1 1.373 0.040 . 2 . . . . B 14 LYS HG2 . 11606 2
72 . 2 . 2 14 14 LYS HG3 H 1 1.373 0.040 . 2 . . . . B 14 LYS HG3 . 11606 2
73 . 2 . 2 14 14 LYS HD2 H 1 1.727 0.040 . 2 . . . . B 14 LYS HD2 . 11606 2
74 . 2 . 2 14 14 LYS HD3 H 1 1.727 0.040 . 2 . . . . B 14 LYS HD3 . 11606 2
75 . 2 . 2 14 14 LYS HE2 H 1 2.963 0.040 . 2 . . . . B 14 LYS HE2 . 11606 2
76 . 2 . 2 14 14 LYS HE3 H 1 2.963 0.040 . 2 . . . . B 14 LYS HE3 . 11606 2
77 . 2 . 2 15 15 ALA H H 1 8.346 0.040 . 1 . . . . B 15 ALA H . 11606 2
78 . 2 . 2 15 15 ALA HA H 1 4.560 0.040 . 1 . . . . B 15 ALA HA . 11606 2
79 . 2 . 2 15 15 ALA HB1 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB1 . 11606 2
80 . 2 . 2 15 15 ALA HB2 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB2 . 11606 2
81 . 2 . 2 15 15 ALA HB3 H 1 1.332 0.040 . 1 . . . . B 15 ALA HB3 . 11606 2
82 . 2 . 2 16 16 PRO HA H 1 4.408 0.040 . 1 . . . . B 16 PRO HA . 11606 2
83 . 2 . 2 16 16 PRO HB2 H 1 2.284 0.040 . 2 . . . . B 16 PRO HB2 . 11606 2
84 . 2 . 2 16 16 PRO HB3 H 1 1.861 0.040 . 2 . . . . B 16 PRO HB3 . 11606 2
85 . 2 . 2 16 16 PRO HG2 H 1 2.000 0.040 . 2 . . . . B 16 PRO HG2 . 11606 2
86 . 2 . 2 16 16 PRO HG3 H 1 2.000 0.040 . 2 . . . . B 16 PRO HG3 . 11606 2
87 . 2 . 2 16 16 PRO HD2 H 1 3.785 0.040 . 2 . . . . B 16 PRO HD2 . 11606 2
88 . 2 . 2 16 16 PRO HD3 H 1 3.618 0.040 . 2 . . . . B 16 PRO HD3 . 11606 2
89 . 2 . 2 17 17 ARG H H 1 8.486 0.040 . 1 . . . . B 17 ARG H . 11606 2
90 . 2 . 2 17 17 ARG HA H 1 4.259 0.040 . 1 . . . . B 17 ARG HA . 11606 2
91 . 2 . 2 17 17 ARG HB2 H 1 1.792 0.040 . 2 . . . . B 17 ARG HB2 . 11606 2
92 . 2 . 2 17 17 ARG HB3 H 1 1.792 0.040 . 2 . . . . B 17 ARG HB3 . 11606 2
93 . 2 . 2 17 17 ARG HG2 H 1 1.650 0.040 . 2 . . . . B 17 ARG HG2 . 11606 2
94 . 2 . 2 17 17 ARG HG3 H 1 1.650 0.040 . 2 . . . . B 17 ARG HG3 . 11606 2
95 . 2 . 2 17 17 ARG HD2 H 1 3.186 0.040 . 2 . . . . B 17 ARG HD2 . 11606 2
96 . 2 . 2 17 17 ARG HD3 H 1 3.186 0.040 . 2 . . . . B 17 ARG HD3 . 11606 2
97 . 2 . 2 18 18 TYR HA H 1 4.340 0.040 . 1 . . . . B 18 TYR HA . 11606 2
98 . 2 . 2 18 18 TYR HB2 H 1 3.032 0.040 . 2 . . . . B 18 TYR HB2 . 11606 2
99 . 2 . 2 18 18 TYR HB3 H 1 2.868 0.040 . 2 . . . . B 18 TYR HB3 . 11606 2
100 . 2 . 2 18 18 TYR HD1 H 1 7.551 0.040 . 1 . . . . B 18 TYR HD1 . 11606 2
101 . 2 . 2 18 18 TYR HD2 H 1 7.551 0.040 . 1 . . . . B 18 TYR HD2 . 11606 2
102 . 2 . 2 18 18 TYR HE1 H 1 6.861 0.040 . 1 . . . . B 18 TYR HE1 . 11606 2
103 . 2 . 2 18 18 TYR HE2 H 1 6.861 0.040 . 1 . . . . B 18 TYR HE2 . 11606 2
stop_
save_