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 52486
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name MMMKPD1water
_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 .
_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 '1D 1H' . . . 52486 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 . . 52486 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 MET HA H 1 4.214 0.046 . . . . . . . 101 MET HA . 52486 1
2 . 1 . 1 1 1 MET HB2 H 1 1.953 0.029 . . . . . . . 101 MET QB . 52486 1
3 . 1 . 1 1 1 MET HB3 H 1 1.953 0.029 . . . . . . . 101 MET QB . 52486 1
4 . 1 . 1 1 1 MET HG2 H 1 2.440 0.007 . . . . . . . 101 MET QG . 52486 1
5 . 1 . 1 1 1 MET HG3 H 1 2.440 0.007 . . . . . . . 101 MET QG . 52486 1
6 . 1 . 1 1 1 MET HE1 H 1 2.034 0.012 . . . . . . . 101 MET HE# . 52486 1
7 . 1 . 1 1 1 MET HE2 H 1 2.034 0.012 . . . . . . . 101 MET HE# . 52486 1
8 . 1 . 1 1 1 MET HE3 H 1 2.034 0.012 . . . . . . . 101 MET HE# . 52486 1
9 . 1 . 1 2 2 MET H H 1 8.666 0.003 . . . . . . . 102 MET H . 52486 1
10 . 1 . 1 2 2 MET HA H 1 4.364 0.023 . . . . . . . 102 MET HA . 52486 1
11 . 1 . 1 2 2 MET HB2 H 1 1.979 0.038 . . . . . . . 102 MET QB . 52486 1
12 . 1 . 1 2 2 MET HB3 H 1 1.979 0.038 . . . . . . . 102 MET QB . 52486 1
13 . 1 . 1 2 2 MET HG2 H 1 2.465 0.010 . . . . . . . 102 MET QG . 52486 1
14 . 1 . 1 2 2 MET HG3 H 1 2.465 0.010 . . . . . . . 102 MET QG . 52486 1
15 . 1 . 1 2 2 MET HE1 H 1 2.060 0.019 . . . . . . . 102 MET HE# . 52486 1
16 . 1 . 1 2 2 MET HE2 H 1 2.060 0.019 . . . . . . . 102 MET HE# . 52486 1
17 . 1 . 1 2 2 MET HE3 H 1 2.060 0.019 . . . . . . . 102 MET HE# . 52486 1
18 . 1 . 1 3 3 MET H H 1 8.446 0.003 . . . . . . . 103 MET H . 52486 1
19 . 1 . 1 3 3 MET HA H 1 4.298 0.019 . . . . . . . 103 MET HA . 52486 1
20 . 1 . 1 3 3 MET HB2 H 1 2.011 0.054 . . . . . . . 103 MET QB . 52486 1
21 . 1 . 1 3 3 MET HB3 H 1 2.011 0.054 . . . . . . . 103 MET QB . 52486 1
22 . 1 . 1 3 3 MET HG2 H 1 2.527 0.050 . . . . . . . 103 MET QG . 52486 1
23 . 1 . 1 3 3 MET HG3 H 1 2.527 0.050 . . . . . . . 103 MET QG . 52486 1
24 . 1 . 1 3 3 MET HE1 H 1 2.151 0.050 . . . . . . . 103 MET HE# . 52486 1
25 . 1 . 1 3 3 MET HE2 H 1 2.151 0.050 . . . . . . . 103 MET HE# . 52486 1
26 . 1 . 1 3 3 MET HE3 H 1 2.151 0.050 . . . . . . . 103 MET HE# . 52486 1
27 . 1 . 1 4 4 LYS H H 1 8.246 0.003 . . . . . . . 104 LYS H . 52486 1
28 . 1 . 1 4 4 LYS HA H 1 4.458 0.022 . . . . . . . 104 LYS HA . 52486 1
29 . 1 . 1 4 4 LYS HB2 H 1 1.670 0.024 . . . . . . . 104 LYS HB2 . 52486 1
30 . 1 . 1 4 4 LYS HB3 H 1 1.733 0.034 . . . . . . . 104 LYS HB3 . 52486 1
31 . 1 . 1 4 4 LYS HG2 H 1 1.554 0.035 . . . . . . . 104 LYS HG2 . 52486 1
32 . 1 . 1 4 4 LYS HG3 H 1 1.599 0.016 . . . . . . . 104 LYS HG3 . 52486 1
33 . 1 . 1 4 4 LYS HD2 H 1 1.407 0.052 . . . . . . . 104 LYS HD2 . 52486 1
34 . 1 . 1 4 4 LYS HD3 H 1 1.257 0.086 . . . . . . . 104 LYS HD3 . 52486 1
35 . 1 . 1 4 4 LYS HE2 H 1 2.759 0.015 . . . . . . . 104 LYS HE2 . 52486 1
36 . 1 . 1 4 4 LYS HE3 H 1 2.914 0.083 . . . . . . . 104 LYS HE3 . 52486 1
37 . 1 . 1 4 4 LYS HZ1 H 1 7.224 0.218 . . . . . . . 104 LYS HZ# . 52486 1
38 . 1 . 1 4 4 LYS HZ2 H 1 7.224 0.218 . . . . . . . 104 LYS HZ# . 52486 1
39 . 1 . 1 4 4 LYS HZ3 H 1 7.224 0.218 . . . . . . . 104 LYS HZ# . 52486 1
40 . 1 . 1 5 5 PRO HA H 1 4.003 0.032 . . . . . . . 105 PRO HA . 52486 1
41 . 1 . 1 5 5 PRO HB2 H 1 2.375 0.038 . . . . . . . 105 PRO HB2 . 52486 1
42 . 1 . 1 5 5 PRO HB3 H 1 2.419 0.009 . . . . . . . 105 PRO HB3 . 52486 1
43 . 1 . 1 5 5 PRO HG2 H 1 1.871 0.028 . . . . . . . 105 PRO HG2 . 52486 1
44 . 1 . 1 5 5 PRO HG3 H 1 2.023 0.001 . . . . . . . 105 PRO HG3 . 52486 1
45 . 1 . 1 5 5 PRO HD2 H 1 3.414 0.121 . . . . . . . 105 PRO HD2 . 52486 1
46 . 1 . 1 5 5 PRO HD3 H 1 3.653 0.056 . . . . . . . 105 PRO HD3 . 52486 1
47 . 1 . 1 6 6 ASP H H 1 8.177 0.004 . . . . . . . 106 ASP H . 52486 1
48 . 1 . 1 6 6 ASP HA H 1 4.614 0.085 . . . . . . . 106 ASP HA . 52486 1
49 . 1 . 1 6 6 ASP HB2 H 1 2.684 0.036 . . . . . . . 106 ASP QB . 52486 1
50 . 1 . 1 6 6 ASP HB3 H 1 2.684 0.036 . . . . . . . 106 ASP QB . 52486 1
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