Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50186
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'heptameric archaellin glycan'
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.050
_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-13C HSQC' . . . 50186 1
2 '2D 1H-1H COSY' . . . 50186 1
3 '2D 1H-1H TOCSY' . . . 50186 1
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 . 1 . 1 1 1 XA H1 H 1 4.790 0.005 . 1 . . . . . 1 A H1 . 50186 1
2 . 1 . 1 1 1 XA H2 H 1 3.610 0.005 . 1 . . . . . 1 A H2 . 50186 1
3 . 1 . 1 1 1 XA H3 H 1 3.790 0.005 . 1 . . . . . 1 A H3 . 50186 1
4 . 1 . 1 1 1 XA H4 H 1 5.670 0.005 . 1 . . . . . 1 A H4 . 50186 1
5 . 1 . 1 1 1 XA H7 H 1 1.570 0.005 . 1 . . . . . 1 A H7 . 50186 1
6 . 1 . 1 1 1 XA C1 C 13 102.2 0.050 . 1 . . . . . 1 A C1 . 50186 1
7 . 1 . 1 1 1 XA C2 C 13 71.90 0.050 . 1 . . . . . 1 A C2 . 50186 1
8 . 1 . 1 1 1 XA C3 C 13 79.10 0.050 . 1 . . . . . 1 A C3 . 50186 1
9 . 1 . 1 1 1 XA C4 C 13 72.40 0.050 . 1 . . . . . 1 A C4 . 50186 1
10 . 1 . 1 1 1 XA C5 C 13 81.80 0.050 . 1 . . . . . 1 A C5 . 50186 1
11 . 1 . 1 1 1 XA C6 C 13 176.9 0.050 . 1 . . . . . 1 A C6 . 50186 1
12 . 1 . 1 1 1 XA C7 C 13 19.10 0.050 . 1 . . . . . 1 A C7 . 50186 1
13 . 1 . 1 2 2 XB H1 H 1 5.560 0.005 . 1 . . . . . 2 B H1 . 50186 1
14 . 1 . 1 2 2 XB H2 H 1 4.160 0.005 . 1 . . . . . 2 B H2 . 50186 1
15 . 1 . 1 2 2 XB H3 H 1 3.800 0.005 . 1 . . . . . 2 B H3 . 50186 1
16 . 1 . 1 2 2 XB H4 H 1 3.530 0.005 . 1 . . . . . 2 B H4 . 50186 1
17 . 1 . 1 2 2 XB H5 H 1 3.940 0.005 . 1 . . . . . 2 B H5 . 50186 1
18 . 1 . 1 2 2 XB H6 H 1 3.790 0.005 . 1 . . . . . 2 B H6 . 50186 1
19 . 1 . 1 2 2 XB H71 H 1 3.710 0.005 . 2 . . . . . 2 B H71 . 50186 1
20 . 1 . 1 2 2 XB H72 H 1 3.850 0.005 . 2 . . . . . 2 B H72 . 50186 1
21 . 1 . 1 2 2 XB C1 C 13 99.70 0.050 . 1 . . . . . 2 B C1 . 50186 1
22 . 1 . 1 2 2 XB C2 C 13 66.80 0.050 . 1 . . . . . 2 B C2 . 50186 1
23 . 1 . 1 2 2 XB C3 C 13 81.60 0.050 . 1 . . . . . 2 B C3 . 50186 1
24 . 1 . 1 2 2 XB C4 C 13 67.40 0.050 . 1 . . . . . 2 B C4 . 50186 1
25 . 1 . 1 2 2 XB C5 C 13 70.60 0.050 . 1 . . . . . 2 B C5 . 50186 1
26 . 1 . 1 2 2 XB C6 C 13 81.50 0.050 . 1 . . . . . 2 B C6 . 50186 1
27 . 1 . 1 2 2 XB C7 C 13 60.90 0.050 . 1 . . . . . 2 B C7 . 50186 1
28 . 1 . 1 3 3 XC H1 H 1 5.490 0.005 . 1 . . . . . 3 C H1 . 50186 1
29 . 1 . 1 3 3 XC H2 H 1 4.210 0.005 . 1 . . . . . 3 C H2 . 50186 1
30 . 1 . 1 3 3 XC H3 H 1 4.020 0.005 . 1 . . . . . 3 C H3 . 50186 1
31 . 1 . 1 3 3 XC H4 H 1 4.630 0.005 . 1 . . . . . 3 C H4 . 50186 1
32 . 1 . 1 3 3 XC H5 H 1 4.890 0.005 . 1 . . . . . 3 C H5 . 50186 1
33 . 1 . 1 3 3 XC C1 C 13 99.10 0.050 . 1 . . . . . 3 C C1 . 50186 1
34 . 1 . 1 3 3 XC C2 C 13 49.80 0.050 . 1 . . . . . 3 C C2 . 50186 1
35 . 1 . 1 3 3 XC C3 C 13 76.00 0.050 . 1 . . . . . 3 C C3 . 50186 1
36 . 1 . 1 3 3 XC C4 C 13 66.40 0.050 . 1 . . . . . 3 C C4 . 50186 1
37 . 1 . 1 3 3 XC C5 C 13 74.70 0.050 . 1 . . . . . 3 C C5 . 50186 1
38 . 1 . 1 3 3 XC C6 C 13 176.2 0.050 . 1 . . . . . 3 C C6 . 50186 1
39 . 1 . 1 4 4 XD H1 H 1 5.460 0.005 . 1 . . . . . 4 D H1 . 50186 1
40 . 1 . 1 4 4 XD H2 H 1 4.120 0.005 . 1 . . . . . 4 D H2 . 50186 1
41 . 1 . 1 4 4 XD H3 H 1 3.960 0.005 . 1 . . . . . 4 D H3 . 50186 1
42 . 1 . 1 4 4 XD H4 H 1 4.570 0.005 . 1 . . . . . 4 D H4 . 50186 1
43 . 1 . 1 4 4 XD H5 H 1 4.760 0.005 . 1 . . . . . 4 D H5 . 50186 1
44 . 1 . 1 4 4 XD C1 C 13 96.80 0.050 . 1 . . . . . 4 D C1 . 50186 1
45 . 1 . 1 4 4 XD C2 C 13 68.70 0.050 . 1 . . . . . 4 D C2 . 50186 1
46 . 1 . 1 4 4 XD C3 C 13 71.40 0.050 . 1 . . . . . 4 D C3 . 50186 1
47 . 1 . 1 4 4 XD C4 C 13 82.10 0.050 . 1 . . . . . 4 D C4 . 50186 1
48 . 1 . 1 4 4 XD C5 C 13 73.00 0.050 . 1 . . . . . 4 D C5 . 50186 1
49 . 1 . 1 4 4 XD C6 C 13 174.8 0.050 . 1 . . . . . 4 D C6 . 50186 1
50 . 1 . 1 5 5 XE H1 H 1 5.330 0.005 . 1 . . . . . 5 E H1 . 50186 1
51 . 1 . 1 5 5 XE H2 H 1 3.990 0.005 . 1 . . . . . 5 E H2 . 50186 1
52 . 1 . 1 5 5 XE H3 H 1 4.030 0.005 . 1 . . . . . 5 E H3 . 50186 1
53 . 1 . 1 5 5 XE H4 H 1 4.470 0.005 . 1 . . . . . 5 E H4 . 50186 1
54 . 1 . 1 5 5 XE H5 H 1 4.230 0.005 . 1 . . . . . 5 E H5 . 50186 1
55 . 1 . 1 5 5 XE C1 C 13 95.10 0.050 . 1 . . . . . 5 E C1 . 50186 1
56 . 1 . 1 5 5 XE C2 C 13 72.10 0.050 . 1 . . . . . 5 E C2 . 50186 1
57 . 1 . 1 5 5 XE C3 C 13 68.20 0.050 . 1 . . . . . 5 E C3 . 50186 1
58 . 1 . 1 5 5 XE C4 C 13 79.90 0.050 . 1 . . . . . 5 E C4 . 50186 1
59 . 1 . 1 5 5 XE C5 C 13 72.00 0.050 . 1 . . . . . 5 E C5 . 50186 1
60 . 1 . 1 5 5 XE C6 C 13 174.0 0.050 . 1 . . . . . 5 E C6 . 50186 1
61 . 1 . 1 6 6 XF H1 H 1 4.990 0.005 . 1 . . . . . 6 F H1 . 50186 1
62 . 1 . 1 6 6 XF H2 H 1 4.310 0.005 . 1 . . . . . 6 F H2 . 50186 1
63 . 1 . 1 6 6 XF H3 H 1 3.730 0.005 . 1 . . . . . 6 F H3 . 50186 1
64 . 1 . 1 6 6 XF H4 H 1 3.910 0.005 . 1 . . . . . 6 F H4 . 50186 1
65 . 1 . 1 6 6 XF H5 H 1 3.340 0.005 . 1 . . . . . 6 F H5 . 50186 1
66 . 1 . 1 6 6 XF H61 H 1 3.770 0.005 . 2 . . . . . 6 F H61 . 50186 1
67 . 1 . 1 6 6 XF H62 H 1 3.920 0.005 . 2 . . . . . 6 F H62 . 50186 1
68 . 1 . 1 6 6 XF C1 C 13 102.6 0.050 . 1 . . . . . 6 F C1 . 50186 1
69 . 1 . 1 6 6 XF C2 C 13 77.00 0.050 . 1 . . . . . 6 F C2 . 50186 1
70 . 1 . 1 6 6 XF C3 C 13 74.20 0.050 . 1 . . . . . 6 F C3 . 50186 1
71 . 1 . 1 6 6 XF C4 C 13 70.10 0.050 . 1 . . . . . 6 F C4 . 50186 1
72 . 1 . 1 6 6 XF C5 C 13 78.30 0.050 . 1 . . . . . 6 F C5 . 50186 1
73 . 1 . 1 6 6 XF C6 C 13 61.80 0.050 . 1 . . . . . 6 F C6 . 50186 1
74 . 1 . 1 7 7 XG H1 H 1 5.120 0.005 . 1 . . . . . 7 G H1 . 50186 1
75 . 1 . 1 7 7 XG H2 H 1 4.080 0.005 . 1 . . . . . 7 G H2 . 50186 1
76 . 1 . 1 7 7 XG H3 H 1 3.930 0.005 . 1 . . . . . 7 G H3 . 50186 1
77 . 1 . 1 7 7 XG H4 H 1 4.300 0.005 . 1 . . . . . 7 G H4 . 50186 1
78 . 1 . 1 7 7 XG H5 H 1 3.780 0.005 . 1 . . . . . 7 G H5 . 50186 1
79 . 1 . 1 7 7 XG H61 H 1 3.780 0.005 . 2 . . . . . 7 G H61 . 50186 1
80 . 1 . 1 7 7 XG H62 H 1 3.780 0.005 . 2 . . . . . 7 G H62 . 50186 1
81 . 1 . 1 7 7 XG C1 C 13 79.40 0.050 . 1 . . . . . 7 G C1 . 50186 1
82 . 1 . 1 7 7 XG C2 C 13 50.70 0.050 . 1 . . . . . 7 G C2 . 50186 1
83 . 1 . 1 7 7 XG C3 C 13 78.90 0.050 . 1 . . . . . 7 G C3 . 50186 1
84 . 1 . 1 7 7 XG C4 C 13 65.50 0.050 . 1 . . . . . 7 G C4 . 50186 1
85 . 1 . 1 7 7 XG C5 C 13 77.60 0.050 . 1 . . . . . 7 G C5 . 50186 1
86 . 1 . 1 7 7 XG C6 C 13 62.3 0.050 . 1 . . . . . 7 G C6 . 50186 1
stop_
save_