Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 21097
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $AmB_100_U-13C
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 .
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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 13C-13C SPC q60' 1 $U13C_AmB isotropic 21097 1
2 '2D 13C-13C SPC DARR 50 ms' 1 $U13C_AmB isotropic 21097 1
3 '2D 13C-13C SPC DARR 100 ms' 1 $U13C_AmB isotropic 21097 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
2 $NMRFAM-SPARKY . . 21097 1
3 $VnmrJ . . 21097 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 UVR C1 C 13 175.292 0.067 . 1 . . . . . 1 AMF C1 . 21097 1
2 . 1 . 1 1 1 UVR C2 C 13 41.061 0.119 . 1 . . . . . 1 AMF C2 . 21097 1
3 . 1 . 1 1 1 UVR C3 C 13 71.011 0.049 . 1 . . . . . 1 AMF C3 . 21097 1
4 . 1 . 1 1 1 UVR C4 C 13 44.088 0.053 . 1 . . . . . 1 AMF C4 . 21097 1
5 . 1 . 1 1 1 UVR C5 C 13 74.262 0.063 . 1 . . . . . 1 AMF C5 . 21097 1
6 . 1 . 1 1 1 UVR C6 C 13 35.656 0.019 . 1 . . . . . 1 AMF C6 . 21097 1
7 . 1 . 1 1 1 UVR C7 C 13 32.748 0.037 . 1 . . . . . 1 AMF C7 . 21097 1
8 . 1 . 1 1 1 UVR C8 C 13 74.295 0.013 . 1 . . . . . 1 AMF C8 . 21097 1
9 . 1 . 1 1 1 UVR C9 C 13 79.602 0.042 . 1 . . . . . 1 AMF C9 . 21097 1
10 . 1 . 1 1 1 UVR C10 C 13 41.077 0.063 . 1 . . . . . 1 AMF C10 . 21097 1
11 . 1 . 1 1 1 UVR C11 C 13 72.806 0.064 . 1 . . . . . 1 AMF C11 . 21097 1
12 . 1 . 1 1 1 UVR C12 C 13 46.837 0.070 . 1 . . . . . 1 AMF C12 . 21097 1
13 . 1 . 1 1 1 UVR C13 C 13 100.276 0.115 . 1 . . . . . 1 AMF C13 . 21097 1
14 . 1 . 1 1 1 UVR C14 C 13 46.810 0.022 . 1 . . . . . 1 AMF C14 . 21097 1
15 . 1 . 1 1 1 UVR C15 C 13 69.412 0.145 . 1 . . . . . 1 AMF C15 . 21097 1
16 . 1 . 1 1 1 UVR C16 C 13 60.450 0.045 . 1 . . . . . 1 AMF C16 . 21097 1
17 . 1 . 1 1 1 UVR C17 C 13 67.974 0.018 . 1 . . . . . 1 AMF C17 . 21097 1
18 . 1 . 1 1 1 UVR C18 C 13 39.968 0.091 . 1 . . . . . 1 AMF C18 . 21097 1
19 . 1 . 1 1 1 UVR C19 C 13 83.668 0.000 . 1 . . . . . 1 AMF C19 . 21097 1
20 . 1 . 1 1 1 UVR C34 C 13 45.582 0.046 . 1 . . . . . 1 AMF C34 . 21097 1
21 . 1 . 1 1 1 UVR C35 C 13 78.639 0.021 . 1 . . . . . 1 AMF C35 . 21097 1
22 . 1 . 1 1 1 UVR C36 C 13 42.592 0.047 . 1 . . . . . 1 AMF C36 . 21097 1
23 . 1 . 1 1 1 UVR C37 C 13 71.881 0.076 . 1 . . . . . 1 AMF C37 . 21097 1
24 . 1 . 1 1 1 UVR C38 C 13 19.324 0.098 . 1 . . . . . 1 AMF C38 . 21097 1
25 . 1 . 1 1 1 UVR C39 C 13 12.728 0.153 . 1 . . . . . 1 AMF C39 . 21097 1
26 . 1 . 1 1 1 UVR C40 C 13 23.300 0.025 . 1 . . . . . 1 AMF C40 . 21097 1
27 . 1 . 1 1 1 UVR C41 C 13 182.595 0.012 . 1 . . . . . 1 AMF C41 . 21097 1
28 . 1 . 1 1 1 UVR C101 C 13 100.641 0.056 . 1 . . . . . 1 AMF C101 . 21097 1
29 . 1 . 1 1 1 UVR C102 C 13 70.810 0.021 . 1 . . . . . 1 AMF C102 . 21097 1
30 . 1 . 1 1 1 UVR C103 C 13 57.715 0.105 . 1 . . . . . 1 AMF C103 . 21097 1
31 . 1 . 1 1 1 UVR C104 C 13 70.855 0.064 . 1 . . . . . 1 AMF C104 . 21097 1
32 . 1 . 1 1 1 UVR C105 C 13 75.621 0.295 . 1 . . . . . 1 AMF C105 . 21097 1
33 . 1 . 1 1 1 UVR C106 C 13 19.425 0.096 . 1 . . . . . 1 AMF C106 . 21097 1
34 . 2 . 1 1 1 UVR C1 C 13 173.530 0.029 . 1 . . . . . 2 AMF C1 . 21097 1
35 . 2 . 1 1 1 UVR C2 C 13 45.364 0.093 . 1 . . . . . 2 AMF C2 . 21097 1
36 . 2 . 1 1 1 UVR C3 C 13 71.164 0.034 . 1 . . . . . 2 AMF C3 . 21097 1
37 . 2 . 1 1 1 UVR C4 C 13 45.415 0.066 . 1 . . . . . 2 AMF C4 . 21097 1
38 . 2 . 1 1 1 UVR C5 C 13 78.068 0.041 . 1 . . . . . 2 AMF C5 . 21097 1
39 . 2 . 1 1 1 UVR C6 C 13 39.810 0.068 . 1 . . . . . 2 AMF C6 . 21097 1
40 . 2 . 1 1 1 UVR C7 C 13 36.991 0.085 . 1 . . . . . 2 AMF C7 . 21097 1
41 . 2 . 1 1 1 UVR C8 C 13 76.623 0.066 . 1 . . . . . 2 AMF C8 . 21097 1
42 . 2 . 1 1 1 UVR C9 C 13 78.482 0.095 . 1 . . . . . 2 AMF C9 . 21097 1
43 . 2 . 1 1 1 UVR C10 C 13 42.460 0.075 . 1 . . . . . 2 AMF C10 . 21097 1
44 . 2 . 1 1 1 UVR C11 C 13 72.573 0.037 . 1 . . . . . 2 AMF C11 . 21097 1
45 . 2 . 1 1 1 UVR C12 C 13 47.909 0.058 . 1 . . . . . 2 AMF C12 . 21097 1
46 . 2 . 1 1 1 UVR C13 C 13 100.551 0.074 . 1 . . . . . 2 AMF C13 . 21097 1
47 . 2 . 1 1 1 UVR C14 C 13 45.252 0.059 . 1 . . . . . 2 AMF C14 . 21097 1
48 . 2 . 1 1 1 UVR C15 C 13 69.581 0.045 . 1 . . . . . 2 AMF C15 . 21097 1
49 . 2 . 1 1 1 UVR C16 C 13 60.444 0.043 . 1 . . . . . 2 AMF C16 . 21097 1
50 . 2 . 1 1 1 UVR C17 C 13 67.994 0.028 . 1 . . . . . 2 AMF C17 . 21097 1
51 . 2 . 1 1 1 UVR C18 C 13 40.031 0.075 . 1 . . . . . 2 AMF C18 . 21097 1
52 . 2 . 1 1 1 UVR C19 C 13 83.701 0.068 . 1 . . . . . 2 AMF C19 . 21097 1
53 . 2 . 1 1 1 UVR C34 C 13 45.625 0.081 . 1 . . . . . 2 AMF C34 . 21097 1
54 . 2 . 1 1 1 UVR C35 C 13 78.584 0.062 . 1 . . . . . 2 AMF C35 . 21097 1
55 . 2 . 1 1 1 UVR C36 C 13 42.608 0.054 . 1 . . . . . 2 AMF C36 . 21097 1
56 . 2 . 1 1 1 UVR C37 C 13 74.270 0.038 . 1 . . . . . 2 AMF C37 . 21097 1
57 . 2 . 1 1 1 UVR C38 C 13 20.185 0.067 . 1 . . . . . 2 AMF C38 . 21097 1
58 . 2 . 1 1 1 UVR C39 C 13 12.806 0.098 . 1 . . . . . 2 AMF C39 . 21097 1
59 . 2 . 1 1 1 UVR C40 C 13 23.355 0.100 . 1 . . . . . 2 AMF C40 . 21097 1
60 . 2 . 1 1 1 UVR C41 C 13 182.595 0.012 . 1 . . . . . 2 AMF C41 . 21097 1
61 . 2 . 1 1 1 UVR C101 C 13 100.660 0.076 . 1 . . . . . 2 AMF C101 . 21097 1
62 . 2 . 1 1 1 UVR C102 C 13 70.812 0.020 . 1 . . . . . 2 AMF C102 . 21097 1
63 . 2 . 1 1 1 UVR C103 C 13 57.719 0.103 . 1 . . . . . 2 AMF C103 . 21097 1
64 . 2 . 1 1 1 UVR C104 C 13 70.862 0.055 . 1 . . . . . 2 AMF C104 . 21097 1
65 . 2 . 1 1 1 UVR C105 C 13 75.736 0.089 . 1 . . . . . 2 AMF C105 . 21097 1
66 . 2 . 1 1 1 UVR C106 C 13 20.255 0.073 . 1 . . . . . 2 AMF C106 . 21097 1
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