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 52169
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'GlcNAc-MurNAc-D-Ala-D-isoGlu-diamino pimelic acid dimer'
_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 0.03
_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 .
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_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-1H TOCSY' . . . 52169 1
2 '2D 1H-1H NOESY' . . . 52169 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52169 1
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_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 NAG H1 H 1 4.67 0.03 . 1 . . . . . 1 NAG H1 . 52169 1
2 . 1 . 1 1 1 NAG H2 H 1 3.74 0.03 . 4 . . . . . 1 NAG H2 . 52169 1
3 . 1 . 1 1 1 NAG H3 H 1 3.58 0.03 . 4 . . . . . 1 NAG H3 . 52169 1
4 . 1 . 1 1 1 NAG H4 H 1 3.48 0.03 . 4 . . . . . 1 NAG H4 . 52169 1
5 . 1 . 1 1 1 NAG H5 H 1 3.44 0.03 . 4 . . . . . 1 NAG H5 . 52169 1
6 . 1 . 1 1 1 NAG HH2 H 1 8.35 0.03 . 1 . . . . . 1 NAG HH2 . 52169 1
7 . 1 . 1 1 1 NAG H8 H 1 2.08 0.03 . 1 . . . . . 1 NAG H8 . 52169 1
8 . 1 . 1 2 2 MUR H1 H 1 4.43 0.03 . 4 . . . . . 2 MUR H1 . 52169 1
9 . 1 . 1 2 2 MUR H2 H 1 4.32 0.03 . 4 . . . . . 2 MUR H2 . 52169 1
10 . 1 . 1 2 2 MUR HH2 H 1 8.11 0.03 . 1 . . . . . 2 MUR HH2 . 52169 1
11 . 1 . 1 2 2 MUR H8 H 1 2.01 0.03 . 1 . . . . . 2 MUR H8 . 52169 1
12 . 1 . 1 2 2 MUR H9 H 1 4.28 0.03 . 1 . . . . . 2 MUR H9 . 52169 1
13 . 1 . 1 2 2 MUR H11 H 1 1.42 0.03 . 1 . . . . . 2 MUR H11 . 52169 1
14 . 1 . 1 3 3 DAL H H 1 8.41 0.03 . 1 . . . . . 3 ALA HN . 52169 1
15 . 1 . 1 3 3 DAL HA H 1 4.32 0.03 . 1 . . . . . 3 ALA HA . 52169 1
16 . 1 . 1 3 3 DAL HB1 H 1 1.43 0.03 . 1 . . . . . 3 ALA HB# . 52169 1
17 . 1 . 1 3 3 DAL HB2 H 1 1.43 0.03 . 1 . . . . . 3 ALA HB# . 52169 1
18 . 1 . 1 3 3 DAL HB3 H 1 1.43 0.03 . 1 . . . . . 3 ALA HB# . 52169 1
19 . 1 . 1 4 4 DGL H H 1 7.92 0.03 . 1 . . . . . 4 DGL H . 52169 1
20 . 1 . 1 4 4 DGL HA H 1 4.20 0.03 . 1 . . . . . 4 DGL HA . 52169 1
21 . 1 . 1 4 4 DGL HB2 H 1 2.10 0.03 . 2 . . . . . 4 DGL HB2 . 52169 1
22 . 1 . 1 4 4 DGL HB3 H 1 1.90 0.03 . 2 . . . . . 4 DGL HB3 . 52169 1
23 . 1 . 1 4 4 DGL HG2 H 1 2.26 0.03 . 1 . . . . . 4 DGL HG2 . 52169 1
24 . 1 . 1 4 4 DGL HG3 H 1 2.26 0.03 . 1 . . . . . 4 DGL HG3 . 52169 1
25 . 1 . 1 5 5 API H H 1 8.11 0.03 . 1 . . . . . 5 API HN . 52169 1
26 . 1 . 1 5 5 API HA H 1 4.43 0.03 . 1 . . . . . 5 API HA . 52169 1
27 . 1 . 1 5 5 API HB2 H 1 1.74 0.03 . 1 . . . . . 5 API HB2 . 52169 1
28 . 1 . 1 5 5 API HB3 H 1 1.74 0.03 . 1 . . . . . 5 API HB3 . 52169 1
29 . 1 . 1 5 5 API HG2 H 1 1.69 0.03 . 1 . . . . . 5 API HG2 . 52169 1
30 . 1 . 1 5 5 API HG3 H 1 1.69 0.03 . 1 . . . . . 5 API HG3 . 52169 1
31 . 1 . 1 5 5 API HD2 H 1 1.95 0.03 . 1 . . . . . 5 API HD2 . 52169 1
32 . 1 . 1 5 5 API HD3 H 1 1.95 0.03 . 1 . . . . . 5 API HD3 . 52169 1
33 . 1 . 1 5 5 API HE H 1 4.26 0.03 . 1 . . . . . 5 API HE . 52169 1
34 . 1 . 1 5 5 API HH H 1 8.04 0.03 . 1 . . . . . 5 API HN . 52169 1
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