Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6818
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 TOCSY' 1 $sample_1 . 6818 1
2 '2D NOESY' 1 $sample_1 . 6818 1
3 DQF-COSY 1 $sample_1 . 6818 1
4 E-COSY 1 $sample_1 . 6818 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.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 . 1 1 1 1 GLY HA2 H 1 3.810 0.001 . 2 . . . . . . . . . 6818 1
2 . 1 1 1 1 GLY HA3 H 1 3.912 0.000 . 2 . . . . . . . . . 6818 1
3 . 1 1 1 1 GLY H H 1 8.552 0.004 . 1 . . . . . . . . . 6818 1
4 . 1 1 2 2 CYS HA H 1 4.553 0.002 . 1 . . . . . . . . . 6818 1
5 . 1 1 2 2 CYS HB2 H 1 2.764 0.017 . 2 . . . . . . . . . 6818 1
6 . 1 1 2 2 CYS HB3 H 1 3.192 0.001 . 2 . . . . . . . . . 6818 1
7 . 1 1 2 2 CYS H H 1 8.627 0.001 . 1 . . . . . . . . . 6818 1
8 . 1 1 3 3 CYS HA H 1 4.166 0.004 . 1 . . . . . . . . . 6818 1
9 . 1 1 3 3 CYS HB2 H 1 3.148 0.001 . 2 . . . . . . . . . 6818 1
10 . 1 1 3 3 CYS HB3 H 1 2.843 0.003 . 2 . . . . . . . . . 6818 1
11 . 1 1 3 3 CYS H H 1 8.275 0.001 . 1 . . . . . . . . . 6818 1
12 . 1 1 4 4 SER HA H 1 4.459 0.001 . 1 . . . . . . . . . 6818 1
13 . 1 1 4 4 SER H H 1 7.782 0.004 . 1 . . . . . . . . . 6818 1
14 . 1 1 4 4 SER HB2 H 1 3.931 0.001 . 2 . . . . . . . . . 6818 1
15 . 1 1 5 5 ASN HA H 1 5.216 0.002 . 1 . . . . . . . . . 6818 1
16 . 1 1 5 5 ASN HB2 H 1 2.848 0.000 . 2 . . . . . . . . . 6818 1
17 . 1 1 5 5 ASN HB3 H 1 3.163 0.006 . 2 . . . . . . . . . 6818 1
18 . 1 1 5 5 ASN H H 1 7.924 0.001 . 1 . . . . . . . . . 6818 1
19 . 1 1 6 6 PRO HA H 1 4.229 0.002 . 1 . . . . . . . . . 6818 1
20 . 1 1 6 6 PRO HB2 H 1 1.981 0.011 . 2 . . . . . . . . . 6818 1
21 . 1 1 6 6 PRO HB3 H 1 2.343 0.002 . 2 . . . . . . . . . 6818 1
22 . 1 1 6 6 PRO HD2 H 1 3.875 0.003 . 2 . . . . . . . . . 6818 1
23 . 1 1 6 6 PRO HD3 H 1 4.022 0.001 . 2 . . . . . . . . . 6818 1
24 . 1 1 6 6 PRO HG2 H 1 2.031 0.003 . 2 . . . . . . . . . 6818 1
25 . 1 1 6 6 PRO HG3 H 1 2.103 0.006 . 2 . . . . . . . . . 6818 1
26 . 1 1 7 7 VAL HA H 1 3.751 0.003 . 1 . . . . . . . . . 6818 1
27 . 1 1 7 7 VAL HB H 1 2.039 0.006 . 2 . . . . . . . . . 6818 1
28 . 1 1 7 7 VAL H H 1 7.442 0.003 . 1 . . . . . . . . . 6818 1
29 . 1 1 7 7 VAL HG11 H 1 0.856 0.002 . 2 . . . . . . . . . 6818 1
30 . 1 1 7 7 VAL HG12 H 1 0.856 0.002 . 2 . . . . . . . . . 6818 1
31 . 1 1 7 7 VAL HG13 H 1 0.856 0.002 . 2 . . . . . . . . . 6818 1
32 . 1 1 7 7 VAL HG21 H 1 0.984 0.001 . 2 . . . . . . . . . 6818 1
33 . 1 1 7 7 VAL HG22 H 1 0.984 0.001 . 2 . . . . . . . . . 6818 1
34 . 1 1 7 7 VAL HG23 H 1 0.984 0.001 . 2 . . . . . . . . . 6818 1
35 . 1 1 8 8 CYS HA H 1 4.257 0.004 . 1 . . . . . . . . . 6818 1
36 . 1 1 8 8 CYS HB2 H 1 3.252 0.000 . 2 . . . . . . . . . 6818 1
37 . 1 1 8 8 CYS HB3 H 1 4.162 0.008 . 2 . . . . . . . . . 6818 1
38 . 1 1 8 8 CYS H H 1 7.877 0.001 . 1 . . . . . . . . . 6818 1
39 . 1 1 9 9 HIS HA H 1 4.148 0.008 . 1 . . . . . . . . . 6818 1
40 . 1 1 9 9 HIS HB2 H 1 3.253 0.005 . 2 . . . . . . . . . 6818 1
41 . 1 1 9 9 HIS HB3 H 1 3.407 0.005 . 2 . . . . . . . . . 6818 1
42 . 1 1 9 9 HIS H H 1 9.079 0.003 . 1 . . . . . . . . . 6818 1
43 . 1 1 10 10 LEU HA H 1 4.138 0.002 . 1 . . . . . . . . . 6818 1
44 . 1 1 10 10 LEU HG H 1 1.669 0.060 . 2 . . . . . . . . . 6818 1
45 . 1 1 10 10 LEU H H 1 7.529 0.003 . 1 . . . . . . . . . 6818 1
46 . 1 1 10 10 LEU HB2 H 1 1.735 0.051 . 2 . . . . . . . . . 6818 1
47 . 1 1 10 10 LEU HD11 H 1 0.877 0.010 . 2 . . . . . . . . . 6818 1
48 . 1 1 10 10 LEU HD12 H 1 0.877 0.010 . 2 . . . . . . . . . 6818 1
49 . 1 1 10 10 LEU HD13 H 1 0.877 0.010 . 2 . . . . . . . . . 6818 1
50 . 1 1 11 11 GLU HA H 1 4.059 0.002 . 1 . . . . . . . . . 6818 1
51 . 1 1 11 11 GLU HB2 H 1 1.973 0.010 . 2 . . . . . . . . . 6818 1
52 . 1 1 11 11 GLU HB3 H 1 1.722 0.004 . 2 . . . . . . . . . 6818 1
53 . 1 1 11 11 GLU HG2 H 1 2.270 0.004 . 2 . . . . . . . . . 6818 1
54 . 1 1 11 11 GLU HG3 H 1 2.485 0.002 . 2 . . . . . . . . . 6818 1
55 . 1 1 11 11 GLU H H 1 7.720 0.001 . 1 . . . . . . . . . 6818 1
56 . 1 1 12 12 HIS HA H 1 4.969 0.005 . 1 . . . . . . . . . 6818 1
57 . 1 1 12 12 HIS HB2 H 1 3.012 0.005 . 2 . . . . . . . . . 6818 1
58 . 1 1 12 12 HIS HB3 H 1 3.257 0.004 . 2 . . . . . . . . . 6818 1
59 . 1 1 12 12 HIS H H 1 7.956 0.002 . 1 . . . . . . . . . 6818 1
60 . 1 1 13 13 SER HA H 1 3.992 0.000 . 1 . . . . . . . . . 6818 1
61 . 1 1 13 13 SER H H 1 7.867 0.004 . 1 . . . . . . . . . 6818 1
62 . 1 1 13 13 SER HB2 H 1 3.967 0.005 . 2 . . . . . . . . . 6818 1
63 . 1 1 14 14 ASN HA H 1 4.499 0.001 . 1 . . . . . . . . . 6818 1
64 . 1 1 14 14 ASN H H 1 8.620 0.002 . 1 . . . . . . . . . 6818 1
65 . 1 1 14 14 ASN HB2 H 1 2.848 0.010 . 2 . . . . . . . . . 6818 1
66 . 1 1 15 15 LEU HA H 1 4.394 0.003 . 1 . . . . . . . . . 6818 1
67 . 1 1 15 15 LEU HB2 H 1 1.758 0.003 . 2 . . . . . . . . . 6818 1
68 . 1 1 15 15 LEU HB3 H 1 1.675 0.004 . 2 . . . . . . . . . 6818 1
69 . 1 1 15 15 LEU HG H 1 1.566 0.002 . 2 . . . . . . . . . 6818 1
70 . 1 1 15 15 LEU H H 1 7.842 0.004 . 1 . . . . . . . . . 6818 1
71 . 1 1 15 15 LEU HD11 H 1 0.771 0.005 . 2 . . . . . . . . . 6818 1
72 . 1 1 15 15 LEU HD12 H 1 0.771 0.005 . 2 . . . . . . . . . 6818 1
73 . 1 1 15 15 LEU HD13 H 1 0.771 0.005 . 2 . . . . . . . . . 6818 1
74 . 1 1 15 15 LEU HD21 H 1 0.846 0.004 . 2 . . . . . . . . . 6818 1
75 . 1 1 15 15 LEU HD22 H 1 0.846 0.004 . 2 . . . . . . . . . 6818 1
76 . 1 1 15 15 LEU HD23 H 1 0.846 0.004 . 2 . . . . . . . . . 6818 1
77 . 1 1 16 16 CYS HA H 1 4.779 0.002 . 1 . . . . . . . . . 6818 1
78 . 1 1 16 16 CYS HB2 H 1 2.300 0.003 . 2 . . . . . . . . . 6818 1
79 . 1 1 16 16 CYS HB3 H 1 2.861 0.003 . 2 . . . . . . . . . 6818 1
80 . 1 1 16 16 CYS H H 1 7.676 0.005 . 1 . . . . . . . . . 6818 1
81 . 1 1 17 17 GLY HA2 H 1 3.855 0.005 . 2 . . . . . . . . . 6818 1
82 . 1 1 17 17 GLY HA3 H 1 4.035 0.001 . 2 . . . . . . . . . 6818 1
83 . 1 1 17 17 GLY H H 1 8.288 0.003 . 1 . . . . . . . . . 6818 1
84 . 1 1 19 19 ALA HA H 1 4.317 0.008 . 1 . . . . . . . . . 6818 1
85 . 1 1 19 19 ALA H H 1 8.170 0.003 . 1 . . . . . . . . . 6818 1
86 . 1 1 19 19 ALA HB1 H 1 1.354 0.003 . 1 . . . . . . . . . 6818 1
87 . 1 1 19 19 ALA HB2 H 1 1.354 0.003 . 1 . . . . . . . . . 6818 1
88 . 1 1 19 19 ALA HB3 H 1 1.354 0.003 . 1 . . . . . . . . . 6818 1
89 . 1 1 20 20 ALA HA H 1 4.282 0.006 . 1 . . . . . . . . . 6818 1
90 . 1 1 20 20 ALA H H 1 8.080 0.002 . 1 . . . . . . . . . 6818 1
91 . 1 1 20 20 ALA HB1 H 1 1.341 0.016 . 1 . . . . . . . . . 6818 1
92 . 1 1 20 20 ALA HB2 H 1 1.341 0.016 . 1 . . . . . . . . . 6818 1
93 . 1 1 20 20 ALA HB3 H 1 1.341 0.016 . 1 . . . . . . . . . 6818 1
94 . 1 1 21 21 GLY HA2 H 1 3.872 0.006 . 2 . . . . . . . . . 6818 1
95 . 1 1 21 21 GLY HA3 H 1 3.993 0.000 . 2 . . . . . . . . . 6818 1
96 . 1 1 21 21 GLY H H 1 8.148 0.000 . 1 . . . . . . . . . 6818 1
97 . 1 1 22 22 GLY HA2 H 1 3.896 0.006 . 2 . . . . . . . . . 6818 1
98 . 1 1 22 22 GLY HA3 H 1 4.101 0.001 . 2 . . . . . . . . . 6818 1
99 . 1 1 22 22 GLY H H 1 8.193 0.007 . 1 . . . . . . . . . 6818 1
stop_
save_