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 16400
_Assigned_chem_shift_list.ID 1
_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 $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 .
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-1H TOCSY' . . . 16400 1
2 '2D 1H-1H NOESY' . . . 16400 1
7 '2D 1H-13C HSQC' . . . 16400 1
8 '2D 1H-15N HSQC' . . . 16400 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 . 1 1 4 4 PRO HA H 1 4.465 0.005 . 1 . . . . 5 P HA . 16400 1
2 . 1 1 4 4 PRO HB2 H 1 2.283 0.005 . 1 . . . . 5 P HB2 . 16400 1
3 . 1 1 4 4 PRO HB3 H 1 1.903 0.005 . 1 . . . . 5 P HB3 . 16400 1
4 . 1 1 4 4 PRO HD2 H 1 3.252 0.005 . 1 . . . . 5 P HD2 . 16400 1
5 . 1 1 4 4 PRO HD3 H 1 3.562 0.005 . 1 . . . . 5 P HD3 . 16400 1
6 . 1 1 4 4 PRO HG2 H 1 1.958 0.005 . 2 . . . . 5 P HG# . 16400 1
7 . 1 1 4 4 PRO HG3 H 1 1.958 0.005 . 2 . . . . 5 P HG# . 16400 1
8 . 1 1 4 4 PRO CA C 13 62.243 0.020 . 1 . . . . 5 P CA . 16400 1
9 . 1 1 4 4 PRO CB C 13 32.518 0.020 . 1 . . . . 5 P CB . 16400 1
10 . 1 1 4 4 PRO CD C 13 49.733 0.020 . 1 . . . . 5 P CD . 16400 1
11 . 1 1 4 4 PRO CG C 13 27.833 0.020 . 1 . . . . 5 P CG . 16400 1
12 . 1 1 5 5 LYS H H 1 8.325 0.005 . 1 . . . . 6 K H . 16400 1
13 . 1 1 5 5 LYS HA H 1 4.349 0.005 . 1 . . . . 6 K HA . 16400 1
14 . 1 1 5 5 LYS HB2 H 1 1.654 0.005 . 1 . . . . 6 K HB2 . 16400 1
15 . 1 1 5 5 LYS HB3 H 1 1.828 0.005 . 1 . . . . 6 K HB3 . 16400 1
16 . 1 1 5 5 LYS HD2 H 1 1.701 0.005 . 2 . . . . 6 K HD# . 16400 1
17 . 1 1 5 5 LYS HD3 H 1 1.701 0.005 . 2 . . . . 6 K HD# . 16400 1
18 . 1 1 5 5 LYS HE2 H 1 3.068 0.005 . 2 . . . . 6 K HE# . 16400 1
19 . 1 1 5 5 LYS HE3 H 1 3.068 0.005 . 2 . . . . 6 K HE# . 16400 1
20 . 1 1 5 5 LYS HG2 H 1 1.675 0.005 . 1 . . . . 6 K HG2 . 16400 1
21 . 1 1 5 5 LYS HG3 H 1 1.283 0.005 . 1 . . . . 6 K HG3 . 16400 1
22 . 1 1 5 5 LYS CA C 13 56.872 0.020 . 1 . . . . 6 K CA . 16400 1
23 . 1 1 5 5 LYS CB C 13 33.175 0.020 . 1 . . . . 6 K CB . 16400 1
24 . 1 1 5 5 LYS CD C 13 30.236 0.020 . 1 . . . . 6 K CD . 16400 1
25 . 1 1 5 5 LYS CE C 13 42.600 0.020 . 1 . . . . 6 K CE . 16400 1
26 . 1 1 5 5 LYS CG C 13 25.136 0.020 . 1 . . . . 6 K CG . 16400 1
27 . 1 1 5 5 LYS N N 15 124.000 0.010 . 1 . . . . 6 K N . 16400 1
28 . 1 1 6 6 GLY H H 1 8.347 0.005 . 1 . . . . 7 G H . 16400 1
29 . 1 1 6 6 GLY HA2 H 1 3.752 0.005 . 1 . . . . 7 G HA2 . 16400 1
30 . 1 1 6 6 GLY HA3 H 1 3.860 0.005 . 1 . . . . 7 G HA3 . 16400 1
31 . 1 1 6 6 GLY CA C 13 45.636 0.020 . 1 . . . . 7 G CA . 16400 1
32 . 1 1 6 6 GLY N N 15 110.356 0.010 . 1 . . . . 7 G N . 16400 1
33 . 2 2 4 4 ASP CA C 13 53.344 0.020 . 1 . . . . 37 D CA . 16400 1
34 . 2 2 4 4 ASP CB C 13 39.264 0.020 . 1 . . . . 37 D CB . 16400 1
35 . 2 2 4 4 ASP H H 1 8.699 0.005 . 1 . . . . 37 D H . 16400 1
36 . 2 2 4 4 ASP HA H 1 4.735 0.005 . 1 . . . . 37 D HA . 16400 1
37 . 2 2 4 4 ASP HB2 H 1 2.766 0.005 . 1 . . . . 37 D HB2 . 16400 1
38 . 2 2 4 4 ASP HB3 H 1 2.233 0.005 . 1 . . . . 37 D HB3 . 16400 1
39 . 2 2 4 4 ASP N N 15 118.800 0.010 . 1 . . . . 37 D N . 16400 1
40 . 2 2 5 5 HYP HA H 1 4.686 0.005 . 1 . . . . 38 HYP HA . 16400 1
41 . 2 2 5 5 HYP HB2 H 1 2.007 0.005 . 1 . . . . 38 HYP HB2 . 16400 1
42 . 2 2 5 5 HYP HB3 H 1 2.209 0.005 . 1 . . . . 38 HYP HB3 . 16400 1
43 . 2 2 5 5 HYP HD22 H 1 3.743 0.005 . 1 . . . . 38 HYP HD22 . 16400 1
44 . 2 2 5 5 HYP HD23 H 1 3.859 0.005 . 1 . . . . 38 HYP HD23 . 16400 1
45 . 2 2 5 5 HYP HG H 1 4.645 0.005 . 1 . . . . 38 HYP HG . 16400 1
46 . 2 2 6 6 GLY CA C 13 44.929 0.020 . 1 . . . . 39 G CA . 16400 1
47 . 2 2 6 6 GLY H H 1 8.061 0.005 . 1 . . . . 39 G H . 16400 1
48 . 2 2 6 6 GLY HA2 H 1 3.635 0.005 . 1 . . . . 39 G HA2 . 16400 1
49 . 2 2 6 6 GLY HA3 H 1 3.706 0.005 . 1 . . . . 39 G HA3 . 16400 1
50 . 2 2 6 6 GLY N N 15 105.616 0.010 . 1 . . . . 39 G N . 16400 1
51 . 3 3 4 4 PRO CA C 13 61.427 0.020 . 1 . . . . 69 P CA . 16400 1
52 . 3 3 4 4 PRO CB C 13 30.606 0.020 . 1 . . . . 69 P CB . 16400 1
53 . 3 3 4 4 PRO CD C 13 50.055 0.020 . 1 . . . . 69 P CD . 16400 1
54 . 3 3 4 4 PRO CG C 13 27.031 0.020 . 1 . . . . 69 P CG . 16400 1
55 . 3 3 4 4 PRO HA H 1 4.765 0.005 . 1 . . . . 69 P HA . 16400 1
56 . 3 3 4 4 PRO HB2 H 1 2.283 0.005 . 1 . . . . 69 P HB2 . 16400 1
57 . 3 3 4 4 PRO HB3 H 1 2.109 0.005 . 1 . . . . 69 P HB3 . 16400 1
58 . 3 3 4 4 PRO HD2 H 1 3.201 0.005 . 1 . . . . 69 P HD2 . 16400 1
59 . 3 3 4 4 PRO HD3 H 1 3.555 0.005 . 1 . . . . 69 P HD3 . 16400 1
60 . 3 3 4 4 PRO HG2 H 1 1.996 0.005 . 2 . . . . 69 P HG# . 16400 1
61 . 3 3 4 4 PRO HG3 H 1 1.996 0.005 . 2 . . . . 69 P HG# . 16400 1
62 . 3 3 5 5 HYP HA H 1 4.830 0.005 . 1 . . . . 70 HYP HA . 16400 1
63 . 3 3 5 5 HYP HB2 H 1 2.103 0.005 . 1 . . . . 70 HYP HB2 . 16400 1
64 . 3 3 5 5 HYP HB3 H 1 2.203 0.005 . 1 . . . . 70 HYP HB3 . 16400 1
65 . 3 3 6 6 GLY CA C 13 45.013 0.020 . 1 . . . . 71 G CA . 16400 1
66 . 3 3 6 6 GLY H H 1 8.264 0.005 . 1 . . . . 71 G H . 16400 1
67 . 3 3 6 6 GLY HA2 H 1 3.535 0.005 . 1 . . . . 71 G HA2 . 16400 1
68 . 3 3 6 6 GLY HA3 H 1 3.859 0.005 . 1 . . . . 71 G HA3 . 16400 1
69 . 3 3 6 6 GLY N N 15 107.891 0.010 . 1 . . . . 71 G N . 16400 1
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save_