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 30305
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 .
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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-15N HSQC' . . . 30305 1
2 '2D 1H-15N HSQC' . . . 30305 1
3 '2D 1H-15N HSQC' . . . 30305 1
4 '2D 1H-13C HSQC aliphatic' . . . 30305 1
5 '2D 1H-13C HSQC aliphatic' . . . 30305 1
6 '2D 1H-13C HSQC aromatic' . . . 30305 1
7 '3D HCCH-COSY' . . . 30305 1
8 '3D HCCH-TOCSY' . . . 30305 1
9 '3D H(CCO)NH' . . . 30305 1
10 '3D C(CO)NH' . . . 30305 1
11 '3D aromatic HCCH-TOCSY' . . . 30305 1
12 '3D 1H-13C NOESY aliphatic' . . . 30305 1
13 '3D 1H-15N NOESY' . . . 30305 1
14 '2D [F2-15N,13C filtered] NOESY' . . . 30305 1
15 '2D [F2-15N,13C filtered] NOESY' . . . 30305 1
16 '2D [F1,F2-15N,13C filtered] NOESY' . . . 30305 1
17 '2D [F1,F2-15N,13C filtered] NOESY' . . . 30305 1
18 '2D [F1,F2-15N,13C filtered] TOCSY' . . . 30305 1
19 '2D [F1,F2-15N,13C filtered] TOCSY' . . . 30305 1
20 '3D [F1-15N,13C filtered] 1H-15N NOESY' . . . 30305 1
21 '3D [F1-15N,13C filtered] 1H-13C NOESY' . . . 30305 1
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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.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 . 2 2 1 1 ACE H1 H 1 2.011 0.000 . . . . . . B 648 ACE H1 . 30305 1
2 . 2 2 2 2 ASP H H 1 8.263 0.003 . . . . . . B 649 ASP H . 30305 1
3 . 2 2 2 2 ASP HA H 1 4.548 0.006 . . . . . . B 649 ASP HA . 30305 1
4 . 2 2 2 2 ASP HB2 H 1 2.652 0.004 . . . . . . B 649 ASP HB2 . 30305 1
5 . 2 2 2 2 ASP HB3 H 1 2.582 0.008 . . . . . . B 649 ASP HB3 . 30305 1
6 . 2 2 3 3 GLN H H 1 8.471 0.001 . . . . . . B 650 GLN H . 30305 1
7 . 2 2 3 3 GLN HA H 1 4.333 0.003 . . . . . . B 650 GLN HA . 30305 1
8 . 2 2 3 3 GLN HB2 H 1 2.13 0.001 . . . . . . B 650 GLN HB2 . 30305 1
9 . 2 2 3 3 GLN HB3 H 1 1.967 0.004 . . . . . . B 650 GLN HB3 . 30305 1
10 . 2 2 3 3 GLN HG2 H 1 2.331 0.003 . . . . . . B 650 GLN HG2 . 30305 1
11 . 2 2 3 3 GLN HG3 H 1 2.331 0.003 . . . . . . B 650 GLN HG3 . 30305 1
12 . 2 2 3 3 GLN HE21 H 1 7.518 0.002 . . . . . . B 650 GLN HE21 . 30305 1
13 . 2 2 3 3 GLN HE22 H 1 6.789 0.001 . . . . . . B 650 GLN HE22 . 30305 1
14 . 2 2 4 4 SER H H 1 8.395 0.001 . . . . . . B 651 SER H . 30305 1
15 . 2 2 4 4 SER HA H 1 4.35 0.003 . . . . . . B 651 SER HA . 30305 1
16 . 2 2 4 4 SER HB2 H 1 3.806 0.005 . . . . . . B 651 SER HB2 . 30305 1
17 . 2 2 4 4 SER HB3 H 1 3.772 0.002 . . . . . . B 651 SER HB3 . 30305 1
18 . 2 2 5 5 ASP H H 1 8.276 0.003 . . . . . . B 652 ASP H . 30305 1
19 . 2 2 5 5 ASP HA H 1 4.552 0.003 . . . . . . B 652 ASP HA . 30305 1
20 . 2 2 5 5 ASP HB2 H 1 2.557 0.011 . . . . . . B 652 ASP HB2 . 30305 1
21 . 2 2 5 5 ASP HB3 H 1 2.501 0.004 . . . . . . B 652 ASP HB3 . 30305 1
22 . 2 2 6 6 PHE H H 1 8.063 0.003 . . . . . . B 653 PHE H . 30305 1
23 . 2 2 6 6 PHE HA H 1 4.553 0.006 . . . . . . B 653 PHE HA . 30305 1
24 . 2 2 6 6 PHE HB2 H 1 3.093 0.005 . . . . . . B 653 PHE HB2 . 30305 1
25 . 2 2 6 6 PHE HB3 H 1 2.997 0.009 . . . . . . B 653 PHE HB3 . 30305 1
26 . 2 2 6 6 PHE HD1 H 1 7.16 0.011 . . . . . . B 653 PHE HD1 . 30305 1
27 . 2 2 6 6 PHE HD2 H 1 7.16 0.011 . . . . . . B 653 PHE HD2 . 30305 1
28 . 2 2 6 6 PHE HE1 H 1 7.252 0.013 . . . . . . B 653 PHE HE1 . 30305 1
29 . 2 2 6 6 PHE HE2 H 1 6.779 0.001 . . . . . . B 653 PHE HE2 . 30305 1
30 . 2 2 7 7 GLU H H 1 8.232 0.002 . . . . . . B 654 GLU H . 30305 1
31 . 2 2 7 7 GLU HA H 1 4.178 0.002 . . . . . . B 654 GLU HA . 30305 1
32 . 2 2 7 7 GLU HB2 H 1 1.939 0.004 . . . . . . B 654 GLU HB2 . 30305 1
33 . 2 2 7 7 GLU HB3 H 1 1.842 0.004 . . . . . . B 654 GLU HB3 . 30305 1
34 . 2 2 7 7 GLU HG2 H 1 2.131 0.002 . . . . . . B 654 GLU HG2 . 30305 1
35 . 2 2 7 7 GLU HG3 H 1 2.131 0.002 . . . . . . B 654 GLU HG3 . 30305 1
36 . 2 2 8 8 GLY H H 1 7.882 0.008 . . . . . . B 655 GLY H . 30305 1
37 . 2 2 8 8 GLY HA2 H 1 3.83 0.001 . . . . . . B 655 GLY HA2 . 30305 1
38 . 2 2 8 8 GLY HA3 H 1 3.732 0.002 . . . . . . B 655 GLY HA3 . 30305 1
39 . 2 2 9 9 PHE H H 1 7.974 0.004 . . . . . . B 656 PHE H . 30305 1
40 . 2 2 9 9 PHE HA H 1 4.561 0.006 . . . . . . B 656 PHE HA . 30305 1
41 . 2 2 9 9 PHE HB2 H 1 2.982 0.003 . . . . . . B 656 PHE HB2 . 30305 1
42 . 2 2 9 9 PHE HB3 H 1 2.871 0.004 . . . . . . B 656 PHE HB3 . 30305 1
43 . 2 2 9 9 PHE HD1 H 1 7.137 0.003 . . . . . . B 656 PHE HD1 . 30305 1
44 . 2 2 9 9 PHE HD2 H 1 7.137 0.003 . . . . . . B 656 PHE HD2 . 30305 1
45 . 2 2 9 9 PHE HE1 H 1 7.229 0.004 . . . . . . B 656 PHE HE1 . 30305 1
46 . 2 2 9 9 PHE HE2 H 1 6.82 0.006 . . . . . . B 656 PHE HE2 . 30305 1
47 . 2 2 10 10 SEP H H 1 8.574 0.005 . . . . . . B 657 SEP H . 30305 1
48 . 2 2 10 10 SEP HA H 1 4.492 0.002 . . . . . . B 657 SEP HA . 30305 1
49 . 2 2 10 10 SEP HB3 H 1 3.919 0.002 . . . . . . B 657 SEP HB3 . 30305 1
50 . 2 2 11 11 TYR H H 1 8.24 0.003 . . . . . . B 658 TYR H . 30305 1
51 . 2 2 11 11 TYR HA H 1 4.426 0.002 . . . . . . B 658 TYR HA . 30305 1
52 . 2 2 11 11 TYR HB2 H 1 2.985 0.002 . . . . . . B 658 TYR HB2 . 30305 1
53 . 2 2 11 11 TYR HB3 H 1 2.878 0.005 . . . . . . B 658 TYR HB3 . 30305 1
54 . 2 2 11 11 TYR HD1 H 1 7.09 0.003 . . . . . . B 658 TYR HD1 . 30305 1
55 . 2 2 11 11 TYR HD2 H 1 7.09 0.003 . . . . . . B 658 TYR HD2 . 30305 1
56 . 2 2 11 11 TYR HE1 H 1 7.237 0.002 . . . . . . B 658 TYR HE1 . 30305 1
57 . 2 2 11 11 TYR HE2 H 1 6.777 0.006 . . . . . . B 658 TYR HE2 . 30305 1
58 . 2 2 12 12 NH2 HN1 H 1 7.383 0.003 . . . . . . B 659 NH2 HN1 . 30305 1
59 . 2 2 12 12 NH2 HN2 H 1 6.921 0.003 . . . . . . B 659 NH2 HN2 . 30305 1
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