Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 4753
_Assigned_chem_shift_list.ID 2
_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_ref_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 $sample_1 . 4753 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 . 3 2 1 1 1GL C1 C 13 96.42 0.095 . 1 . . . . . . . . 4753 2
2 . 3 2 1 1 1GL H1 H 1 5.22 0.011 . 1 . . . . . . . . 4753 2
3 . 3 2 1 1 1GL C2 C 13 33.62 0.199 . 1 . . . . . . . . 4753 2
4 . 3 2 1 1 1GL H2A H 1 1.85 0.025 . 1 . . . . . . . . 4753 2
5 . 3 2 1 1 1GL H2E H 1 1.57 0.021 . 1 . . . . . . . . 4753 2
6 . 3 2 1 1 1GL C3 C 13 68.67 0.208 . 1 . . . . . . . . 4753 2
7 . 3 2 1 1 1GL H3 H 1 4.13 0.024 . 1 . . . . . . . . 4753 2
8 . 3 2 1 1 1GL C4 C 13 83.86 0.089 . 1 . . . . . . . . 4753 2
9 . 3 2 1 1 1GL H4 H 1 3.53 0.011 . 1 . . . . . . . . 4753 2
10 . 3 2 1 1 1GL CME C 13 64.46 0.063 . 1 . . . . . . . . 4753 2
11 . 3 2 1 1 1GL HM4 H 1 3.61 0.010 . 1 . . . . . . . . 4753 2
12 . 3 2 1 1 1GL C5 C 13 70.16 0.127 . 1 . . . . . . . . 4753 2
13 . 3 2 1 1 1GL H5 H 1 3.94 0.017 . 1 . . . . . . . . 4753 2
14 . 3 2 1 1 1GL C6 C 13 19.48 0.094 . 1 . . . . . . . . 4753 2
15 . 3 2 1 1 1GL HM6 H 1 1.32 0.013 . 1 . . . . . . . . 4753 2
16 . 3 2 2 2 2GL C1 C 13 100.21 0.127 . 1 . . . . . . . . 4753 2
17 . 3 2 2 2 2GL H1 H 1 5.69 0.019 . 1 . . . . . . . . 4753 2
18 . 3 2 2 2 2GL C2 C 13 36.26 0.199 . 1 . . . . . . . . 4753 2
19 . 3 2 2 2 2GL H2A H 1 2.13 0.028 . 1 . . . . . . . . 4753 2
20 . 3 2 2 2 2GL H2E H 1 2.43 0.020 . 1 . . . . . . . . 4753 2
21 . 3 2 2 2 2GL C3 C 13 70.79 0.197 . 1 . . . . . . . . 4753 2
22 . 3 2 2 2 2GL H3 H 1 4.39 0.023 . 1 . . . . . . . . 4753 2
23 . 3 2 2 2 2GL C4 C 13 70.98 0.092 . 1 . . . . . . . . 4753 2
24 . 3 2 2 2 2GL H4 H 1 5.33 0.011 . 1 . . . . . . . . 4753 2
25 . 3 2 2 2 2GL CME C 13 23.43 0.055 . 1 . . . . . . . . 4753 2
26 . 3 2 2 2 2GL HM4 H 1 2.38 0.010 . 1 . . . . . . . . 4753 2
27 . 3 2 2 2 2GL C5 C 13 70.87 0.099 . 1 . . . . . . . . 4753 2
28 . 3 2 2 2 2GL H5 H 1 4.15 0.017 . 1 . . . . . . . . 4753 2
29 . 3 2 2 2 2GL C6 C 13 19.61 0.097 . 1 . . . . . . . . 4753 2
30 . 3 2 2 2 2GL HM6 H 1 1.42 0.014 . 1 . . . . . . . . 4753 2
31 . 3 2 3 3 DXB C2 C 13 80.82 0.160 . 1 . . . . . . . . 4753 2
32 . 3 2 3 3 DXB H2 H 1 4.59 0.022 . 1 . . . . . . . . 4753 2
33 . 3 2 3 3 DXB H3 H 1 2.77 0.027 . 1 . . . . . . . . 4753 2
34 . 3 2 3 3 DXB C4 C 13 30.63 0.153 . 1 . . . . . . . . 4753 2
35 . 3 2 3 3 DXB H4A H 1 2.77 0.021 . 2 . . . . . . . . 4753 2
36 . 3 2 3 3 DXB H4E H 1 2.57 0.025 . 2 . . . . . . . . 4753 2
37 . 3 2 3 3 DXB C5 C 13 102.55 0.096 . 1 . . . . . . . . 4753 2
38 . 3 2 3 3 DXB H5 H 1 6.91 0.012 . 1 . . . . . . . . 4753 2
39 . 3 2 3 3 DXB CC7 C 13 13.02 0.074 . 1 . . . . . . . . 4753 2
40 . 3 2 3 3 DXB HM7 H 1 2.60 0.012 . 1 . . . . . . . . 4753 2
41 . 3 2 3 3 DXB C10 C 13 114.94 0.083 . 1 . . . . . . . . 4753 2
42 . 3 2 3 3 DXB H10 H 1 6.61 0.010 . 1 . . . . . . . . 4753 2
43 . 3 2 3 3 DXB C1S C 13 85.15 0.094 . 1 . . . . . . . . 4753 2
44 . 3 2 3 3 DXB HS1 H 1 4.96 0.011 . 1 . . . . . . . . 4753 2
45 . 3 2 3 3 DXB CME C 13 61.48 0.111 . 1 . . . . . . . . 4753 2
46 . 3 2 3 3 DXB HM1 H 1 3.41 0.010 . 1 . . . . . . . . 4753 2
47 . 3 2 3 3 DXB C3S C 13 82.35 0.082 . 1 . . . . . . . . 4753 2
48 . 3 2 3 3 DXB HS3 H 1 4.19 0.021 . 1 . . . . . . . . 4753 2
49 . 3 2 3 3 DXB C4S C 13 71.43 0.102 . 1 . . . . . . . . 4753 2
50 . 3 2 3 3 DXB HS4 H 1 4.27 0.014 . 1 . . . . . . . . 4753 2
51 . 3 2 3 3 DXB C5S C 13 21.53 0.083 . 1 . . . . . . . . 4753 2
52 . 3 2 3 3 DXB HM5 H 1 1.33 0.015 . 1 . . . . . . . . 4753 2
53 . 3 2 4 4 1AR C1 C 13 94.22 0.110 . 1 . . . . . . . . 4753 2
54 . 3 2 4 4 1AR H1 H 1 5.09 0.013 . 1 . . . . . . . . 4753 2
55 . 3 2 4 4 1AR C2 C 13 46.46 0.099 . 1 . . . . . . . . 4753 2
56 . 3 2 4 4 1AR H2A H 1 2.50 0.027 . 1 . . . . . . . . 4753 2
57 . 3 2 4 4 1AR H2E H 1 2.16 0.024 . 1 . . . . . . . . 4753 2
58 . 3 2 4 4 1AR CC3 C 13 23.99 0.093 . 1 . . . . . . . . 4753 2
59 . 3 2 4 4 1AR HM3 H 1 1.55 0.013 . 1 . . . . . . . . 4753 2
60 . 3 2 4 4 1AR C4 C 13 82.73 0.099 . 1 . . . . . . . . 4753 2
61 . 3 2 4 4 1AR H4 H 1 5.14 0.019 . 1 . . . . . . . . 4753 2
62 . 3 2 4 4 1AR CME C 13 23.33 0.089 . 1 . . . . . . . . 4753 2
63 . 3 2 4 4 1AR HM4 H 1 2.30 0.009 . 1 . . . . . . . . 4753 2
64 . 3 2 4 4 1AR C5 C 13 68.94 0.110 . 1 . . . . . . . . 4753 2
65 . 3 2 4 4 1AR H5 H 1 4.32 0.020 . 1 . . . . . . . . 4753 2
66 . 3 2 4 4 1AR C6 C 13 21.00 0.123 . 1 . . . . . . . . 4753 2
67 . 3 2 4 4 1AR HM6 H 1 1.70 0.015 . 1 . . . . . . . . 4753 2
68 . 3 2 5 5 DDA C1 C 13 101.18 0.109 . 1 . . . . . . . . 4753 2
69 . 3 2 5 5 DDA H1 H 1 2.56 0.022 . 1 . . . . . . . . 4753 2
70 . 3 2 5 5 DDA C2 C 13 38.06 0.175 . 1 . . . . . . . . 4753 2
71 . 3 2 5 5 DDA H2A H 1 1.11 0.025 . 1 . . . . . . . . 4753 2
72 . 3 2 5 5 DDA H2E H 1 2.08 0.022 . 1 . . . . . . . . 4753 2
73 . 3 2 5 5 DDA C3 C 13 74.51 0.093 . 1 . . . . . . . . 4753 2
74 . 3 2 5 5 DDA H3 H 1 3.65 0.020 . 1 . . . . . . . . 4753 2
75 . 3 2 5 5 DDA C4 C 13 77.98 0.136 . 1 . . . . . . . . 4753 2
76 . 3 2 5 5 DDA H4 H 1 3.01 0.018 . 1 . . . . . . . . 4753 2
77 . 3 2 5 5 DDA HO4 H 1 3.82 0.020 . 1 . . . . . . . . 4753 2
78 . 3 2 5 5 DDA C5 C 13 73.56 0.135 . 1 . . . . . . . . 4753 2
79 . 3 2 5 5 DDA H5 H 1 3.25 0.023 . 1 . . . . . . . . 4753 2
80 . 3 2 5 5 DDA C6 C 13 20.01 0.100 . 1 . . . . . . . . 4753 2
81 . 3 2 5 5 DDA HM6 H 1 1.26 0.015 . 1 . . . . . . . . 4753 2
82 . 3 2 6 6 DDA C1 C 13 104.44 0.171 . 1 . . . . . . . . 4753 2
83 . 3 2 6 6 DDA H1 H 1 4.86 0.019 . 1 . . . . . . . . 4753 2
84 . 3 2 6 6 DDA C2 C 13 40.13 0.133 . 1 . . . . . . . . 4753 2
85 . 3 2 6 6 DDA H2A H 1 1.78 0.029 . 1 . . . . . . . . 4753 2
86 . 3 2 6 6 DDA H2E H 1 2.40 0.022 . 1 . . . . . . . . 4753 2
87 . 3 2 6 6 DDA C3 C 13 85.15 0.098 . 1 . . . . . . . . 4753 2
88 . 3 2 6 6 DDA H3 H 1 2.25 0.024 . 1 . . . . . . . . 4753 2
89 . 3 2 6 6 DDA C4 C 13 77.68 0.112 . 1 . . . . . . . . 4753 2
90 . 3 2 6 6 DDA H4 H 1 2.95 0.019 . 1 . . . . . . . . 4753 2
91 . 3 2 6 6 DDA C5 C 13 74.34 0.162 . 1 . . . . . . . . 4753 2
92 . 3 2 6 6 DDA H5 H 1 2.88 0.023 . 1 . . . . . . . . 4753 2
93 . 3 2 6 6 DDA C6 C 13 20.01 0.100 . 1 . . . . . . . . 4753 2
94 . 3 2 6 6 DDA HM6 H 1 1.26 0.013 . 1 . . . . . . . . 4753 2
stop_
save_