Content for NMR-STAR saveframe, "UYP_bound"
save_UYP_bound
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode UYP_bound
_Assigned_chem_shift_list.Entry_ID 6858
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.03
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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 'UDP-N-acetylmuramyl-L-Ala-D-Glu-m-Dap-D-Ala-D-Ala alone'
_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 $UYPbound isotropic 6858 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.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 UDP C5 C 13 105.5 0.3 . 1 . . . . 1 UDP C5 . 6858 1
2 . 2 2 1 1 UDP H5 H 1 5.97 0.03 . 1 . . . . 1 UDP H5 . 6858 1
3 . 2 2 1 1 UDP C6 C 13 144.2 0.3 . 1 . . . . 1 UDP C6 . 6858 1
4 . 2 2 1 1 UDP H6 H 1 7.96 0.03 . 1 . . . . 1 UDP H6 . 6858 1
5 . 2 2 1 1 UDP C1' C 13 91.4 0.3 . 1 . . . . 1 UDP C1' . 6858 1
6 . 2 2 1 1 UDP H1' H 1 5.98 0.03 . 1 . . . . 1 UDP H1' . 6858 1
7 . 2 2 1 1 UDP C2' C 13 76.2 0.3 . 1 . . . . 1 UDP C2' . 6858 1
8 . 2 2 1 1 UDP H2' H 1 4.37 0.03 . 1 . . . . 1 UDP H2' . 6858 1
9 . 2 2 1 1 UDP C3' C 13 72.5 0.3 . 1 . . . . 1 UDP C3' . 6858 1
10 . 2 2 1 1 UDP H3' H 1 4.36 0.03 . 1 . . . . 1 UDP H3' . 6858 1
11 . 2 2 1 1 UDP C4' C 13 86.0 0.3 . 1 . . . . 1 UDP C4' . 6858 1
12 . 2 2 1 1 UDP H4' H 1 4.28 0.03 . 1 . . . . 1 UDP H4' . 6858 1
13 . 2 2 1 1 UDP C5' C 13 67.8 0.3 . 1 . . . . 1 UDP C5' . 6858 1
14 . 2 2 1 1 UDP H5' H 1 4.19 0.03 . 2 . . . . 1 UDP H5' . 6858 1
15 . 2 2 1 1 UDP H5'' H 1 4.19 0.03 . 2 . . . . 1 UDP H5'' . 6858 1
16 . 2 2 2 2 AMU C1 C 13 97.4 0.3 . 1 . . . . 2 AMU C1 . 6858 1
17 . 2 2 2 2 AMU H1 H 1 5.47 0.03 . 1 . . . . 2 AMU H1 . 6858 1
18 . 2 2 2 2 AMU C2 C 13 56.1 0.3 . 1 . . . . 2 AMU C2 . 6858 1
19 . 2 2 2 2 AMU H2 H 1 4.13 0.03 . 1 . . . . 2 AMU H2 . 6858 1
20 . 2 2 2 2 AMU N2 N 15 121.8 0.4 . 1 . . . . 2 AMU N2 . 6858 1
21 . 2 2 2 2 AMU HN2 H 1 8.49 0.03 . 1 . . . . 2 AMU H2 . 6858 1
22 . 2 2 2 2 AMU C3 C 13 82.7 0.3 . 1 . . . . 2 AMU C3 . 6858 1
23 . 2 2 2 2 AMU H3 H 1 3.79 0.03 . 1 . . . . 2 AMU H3 . 6858 1
24 . 2 2 2 2 AMU C4 C 13 70.8 0.3 . 1 . . . . 2 AMU C4 . 6858 1
25 . 2 2 2 2 AMU H4 H 1 3.65 0.03 . 1 . . . . 2 AMU H4 . 6858 1
26 . 2 2 2 2 AMU C5 C 13 75.8 0.3 . 1 . . . . 2 AMU C5 . 6858 1
27 . 2 2 2 2 AMU H5 H 1 3.95 0.03 . 1 . . . . 2 AMU H5 . 6858 1
28 . 2 2 2 2 AMU C6 C 13 63.2 0.3 . 1 . . . . 2 AMU C6 . 6858 1
29 . 2 2 2 2 AMU H61 H 1 3.86 0.03 . 2 . . . . 2 AMU H61 . 6858 1
30 . 2 2 2 2 AMU H62 H 1 3.86 0.03 . 2 . . . . 2 AMU H62 . 6858 1
31 . 2 2 2 2 AMU C7 C 13 176.9 0.3 . 1 . . . . 2 AMU C7 . 6858 1
32 . 2 2 2 2 AMU C8 C 13 25.0 0.3 . 1 . . . . 2 AMU C8 . 6858 1
33 . 2 2 2 2 AMU H8 H 1 2.02 0.03 . 2 . . . . 2 AMU H8 . 6858 1
34 . 2 2 2 2 AMU C9 C 13 80.8 0.3 . 1 . . . . 2 AMU C9 . 6858 1
35 . 2 2 2 2 AMU H9 H 1 4.23 0.03 . 1 . . . . 2 AMU H9 . 6858 1
36 . 2 2 2 2 AMU C10 C 13 178.4 0.3 . 1 . . . . 2 AMU C10 . 6858 1
37 . 2 2 2 2 AMU C11 C 13 21.5 0.3 . 1 . . . . 2 AMU C11 . 6858 1
38 . 2 2 2 2 AMU H11 H 1 1.42 0.03 . 2 . . . . 2 AMU H11 . 6858 1
39 . 2 2 3 3 ALA H H 1 7.94 0.03 . 1 . . . . 3 ALA H . 6858 1
40 . 2 2 3 3 ALA HA H 1 4.34 0.03 . 1 . . . . 3 ALA HA . 6858 1
41 . 2 2 3 3 ALA HB1 H 1 1.47 0.03 . 1 . . . . 3 ALA HB . 6858 1
42 . 2 2 3 3 ALA HB2 H 1 1.47 0.03 . 1 . . . . 3 ALA HB . 6858 1
43 . 2 2 3 3 ALA HB3 H 1 1.47 0.03 . 1 . . . . 3 ALA HB . 6858 1
44 . 2 2 3 3 ALA C C 13 176.5 0.3 . 1 . . . . 3 ALA C . 6858 1
45 . 2 2 3 3 ALA CA C 13 52.3 0.3 . 1 . . . . 3 ALA CA . 6858 1
46 . 2 2 3 3 ALA CB C 13 20.2 0.3 . 1 . . . . 3 ALA CB . 6858 1
47 . 2 2 3 3 ALA N N 15 122.7 0.4 . 1 . . . . 3 ALA N . 6858 1
48 . 2 2 4 4 DGN H H 1 7.98 0.03 . 1 . . . . 4 DGN H . 6858 1
49 . 2 2 4 4 DGN HA H 1 4.16 0.03 . 1 . . . . 4 DGN HA . 6858 1
50 . 2 2 4 4 DGN HB2 H 1 1.96 0.03 . 2 . . . . 4 DGN HB2 . 6858 1
51 . 2 2 4 4 DGN HB3 H 1 1.74 0.03 . 2 . . . . 4 DGN HB3 . 6858 1
52 . 2 2 4 4 DGN HG2 H 1 2.19 0.03 . 2 . . . . 4 DGN HG2 . 6858 1
53 . 2 2 4 4 DGN HG3 H 1 2.08 0.03 . 2 . . . . 4 DGN HG3 . 6858 1
54 . 2 2 4 4 DGN C C 13 177.5 0.3 . 1 . . . . 4 DGN C . 6858 1
55 . 2 2 4 4 DGN CA C 13 57.2 0.3 . 1 . . . . 4 DGN CA . 6858 1
56 . 2 2 4 4 DGN CB C 13 30.6 0.3 . 1 . . . . 4 DGN CB . 6858 1
57 . 2 2 4 4 DGN CG C 13 34.0 0.3 . 1 . . . . 4 DGN CG . 6858 1
58 . 2 2 4 4 DGN N N 15 124.0 0.4 . 1 . . . . 4 DGN N . 6858 1
59 . 2 2 5 5 KCX H H 1 7.86 0.03 . 1 . . . . 5 KCX H . 6858 1
60 . 2 2 5 5 KCX HA H 1 3.10 0.03 . 1 . . . . 5 KCX HA . 6858 1
61 . 2 2 5 5 KCX HB2 H 1 1.40 0.03 . 2 . . . . 5 KCX HB2 . 6858 1
62 . 2 2 5 5 KCX HB3 H 1 1.17 0.03 . 2 . . . . 5 KCX HB3 . 6858 1
63 . 2 2 5 5 KCX HD2 H 1 1.39 0.03 . 2 . . . . 5 KCX HD2 . 6858 1
64 . 2 2 5 5 KCX HD3 H 1 0.74 0.03 . 2 . . . . 5 KCX HD3 . 6858 1
65 . 2 2 5 5 KCX HE H 1 3.98 0.03 . 1 . . . . 5 KCX HE . 6858 1
66 . 2 2 5 5 KCX HZ H 1 7.51 0.03 . 2 . . . . 5 KCX HZ . 6858 1
67 . 2 2 5 5 KCX C C 13 175.1 0.3 . 1 . . . . 5 KCX C . 6858 1
68 . 2 2 5 5 KCX CA C 13 58.7 0.3 . 1 . . . . 5 KCX CA . 6858 1
69 . 2 2 5 5 KCX CB C 13 32.8 0.3 . 1 . . . . 5 KCX CB . 6858 1
70 . 2 2 5 5 KCX CG C 13 26.1 0.3 . 1 . . . . 5 KCX CG . 6858 1
71 . 2 2 5 5 KCX CD C 13 32.07 0.3 . 1 . . . . 5 KCX CD . 6858 1
72 . 2 2 5 5 KCX CE C 13 56.91 0.3 . 1 . . . . 5 KCX CE . 6858 1
73 . 2 2 5 5 KCX N N 15 128.5 0.4 . 1 . . . . 5 KCX N . 6858 1
74 . 2 2 5 5 KCX NZ N 15 108.1 0.4 . 1 . . . . 5 KCX NZ . 6858 1
75 . 2 2 6 6 DAL H H 1 7.53 0.03 . 1 . . . . 6 DAL H . 6858 1
76 . 2 2 6 6 DAL HA H 1 4.42 0.03 . 1 . . . . 6 DAL HA . 6858 1
77 . 2 2 6 6 DAL HB H 1 1.28 0.03 . 2 . . . . 6 DAL HB . 6858 1
78 . 2 2 6 6 DAL C C 13 175.7 0.3 . 1 . . . . 6 DAL C . 6858 1
79 . 2 2 6 6 DAL CA C 13 51.6 0.3 . 1 . . . . 6 DAL CA . 6858 1
80 . 2 2 6 6 DAL CB C 13 20.7 0.3 . 1 . . . . 6 DAL CB . 6858 1
81 . 2 2 6 6 DAL N N 15 117.6 0.4 . 1 . . . . 6 DAL N . 6858 1
82 . 2 2 7 7 DAL H H 1 8.10 0.03 . 1 . . . . 7 DAL H . 6858 1
83 . 2 2 7 7 DAL HA H 1 3.97 0.03 . 1 . . . . 7 DAL HA . 6858 1
84 . 2 2 7 7 DAL HB H 1 1.11 0.03 . 2 . . . . 7 DAL HB . 6858 1
85 . 2 2 7 7 DAL CA C 13 53.6 0.3 . 1 . . . . 7 DAL CA . 6858 1
86 . 2 2 7 7 DAL CB C 13 20.3 0.3 . 1 . . . . 7 DAL CB . 6858 1
87 . 2 2 7 7 DAL N N 15 131.0 0.4 . 1 . . . . 7 DAL N . 6858 1
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