Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 18764
_Assigned_chem_shift_list.ID 2
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bd3/ebi/submit_tud_pep_ppm3_chainB.str.csh'
_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 'TRIPLE RESONANCE' 1 $sample_1 solution 18764 2
2 NOESY 1 $sample_1 solution 18764 2
3 EDITED-FILTERED 1 $sample_1 solution 18764 2
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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.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 SER HA H 1 4.127 . . 1 . 1 . . . . . . 18764 2
2 . 1 1 2 2 LYS HA H 1 4.183 . . 1 . 8 . . . . . . 18764 2
3 . 1 1 5 5 GLU H H 1 7.909 . . 1 . 41 . . . . . . 18764 2
4 . 1 1 5 5 GLU HA H 1 4.168 . . 1 . 43 . . . . . . 18764 2
5 . 1 1 7 7 GLN H H 1 8.826 . . 1 . 56 . . . . . . 18764 2
6 . 1 1 7 7 GLN HA H 1 4.846 . . 1 . 58 . . . . . . 18764 2
7 . 1 1 7 7 GLN HB3 H 1 1.793 . . 2 . 60 . . . . . . 18764 2
8 . 1 1 7 7 GLN HB2 H 1 1.645 . . 2 . 61 . . . . . . 18764 2
9 . 1 1 7 7 GLN HG3 H 1 1.384 . . 1 . 63 . . . . . . 18764 2
10 . 1 1 7 7 GLN HG2 H 1 1.384 . . 1 . 64 . . . . . . 18764 2
11 . 1 1 8 8 TYR HB3 H 1 1.651 . . 1 . 73 . . . . . . 18764 2
12 . 1 1 9 9 VAL H H 1 8.900 . . 1 . 80 . . . . . . 18764 2
13 . 1 1 9 9 VAL HA H 1 4.390 . . 1 . 82 . . . . . . 18764 2
14 . 1 1 10 10 LEU H H 1 7.864 . . 1 . 90 . . . . . . 18764 2
15 . 1 1 10 10 LEU HA H 1 3.062 . . 1 . 92 . . . . . . 18764 2
16 . 1 1 10 10 LEU HB3 H 1 1.525 . . 2 . 94 . . . . . . 18764 2
17 . 1 1 10 10 LEU HB2 H 1 1.669 . . 2 . 95 . . . . . . 18764 2
18 . 1 1 11 11 CYS H H 1 7.635 . . 1 . 103 . . . . . . 18764 2
19 . 1 1 11 11 CYS HA H 1 4.170 . . 1 . 105 . . . . . . 18764 2
20 . 1 1 11 11 CYS HB3 H 1 2.608 . . 2 . 107 . . . . . . 18764 2
21 . 1 1 11 11 CYS HB2 H 1 2.867 . . 2 . 108 . . . . . . 18764 2
22 . 2 2 1 1 ALA HB1 H 1 1.482 . . 1 . 587 . . . . . . 18764 2
23 . 2 2 1 1 ALA HB2 H 1 1.482 . . 1 . 587 . . . . . . 18764 2
24 . 2 2 1 1 ALA HB3 H 1 1.482 . . 1 . 587 . . . . . . 18764 2
25 . 2 2 2 2 THR HB H 1 4.336 . . 1 . 588 . . . . . . 18764 2
26 . 2 2 2 2 THR HG21 H 1 1.199 . . 1 . 589 . . . . . . 18764 2
27 . 2 2 2 2 THR HG22 H 1 1.199 . . 1 . 589 . . . . . . 18764 2
28 . 2 2 2 2 THR HG23 H 1 1.199 . . 1 . 589 . . . . . . 18764 2
29 . 2 2 4 4 GLY HA3 H 1 4.016 . . 2 . 590 . . . . . . 18764 2
30 . 2 2 4 4 GLY HA2 H 1 3.916 . . 2 . 591 . . . . . . 18764 2
31 . 2 2 5 5 VAL HB H 1 1.925 . . 1 . 592 . . . . . . 18764 2
32 . 2 2 5 5 VAL HG21 H 1 0.853 . . 1 . 593 . . . . . . 18764 2
33 . 2 2 5 5 VAL HG22 H 1 0.853 . . 1 . 593 . . . . . . 18764 2
34 . 2 2 5 5 VAL HG23 H 1 0.853 . . 1 . 593 . . . . . . 18764 2
35 . 2 2 6 6 M3L HA H 1 4.408 . . 1 . 595 . . . . . . 18764 2
36 . 2 2 6 6 M3L HB2 H 1 1.630 . . 1 . 596 . . . . . . 18764 2
37 . 2 2 6 6 M3L HB3 H 1 1.630 . . 1 . 597 . . . . . . 18764 2
38 . 2 2 6 6 M3L HG2 H 1 1.500 . . 2 . 598 . . . . . . 18764 2
39 . 2 2 6 6 M3L HG3 H 1 1.360 . . 2 . 599 . . . . . . 18764 2
40 . 2 2 6 6 M3L HD2 H 1 1.165 . . 1 . 600 . . . . . . 18764 2
41 . 2 2 6 6 M3L HD3 H 1 1.165 . . 1 . 601 . . . . . . 18764 2
42 . 2 2 7 7 LYS HD3 H 1 1.655 . . 1 . 602 . . . . . . 18764 2
43 . 2 2 7 7 LYS HD2 H 1 1.655 . . 1 . 603 . . . . . . 18764 2
44 . 2 2 7 7 LYS HE3 H 1 2.941 . . 1 . 604 . . . . . . 18764 2
45 . 2 2 7 7 LYS HE2 H 1 2.941 . . 1 . 605 . . . . . . 18764 2
46 . 2 2 8 8 PRO HG3 H 1 1.918 . . 2 . 606 . . . . . . 18764 2
47 . 2 2 8 8 PRO HG2 H 1 1.639 . . 2 . 607 . . . . . . 18764 2
48 . 2 2 8 8 PRO HD3 H 1 3.631 . . 2 . 608 . . . . . . 18764 2
49 . 2 2 8 8 PRO HD2 H 1 3.845 . . 2 . 609 . . . . . . 18764 2
50 . 2 2 9 9 HIS HB3 H 1 2.729 . . 2 . 610 . . . . . . 18764 2
51 . 2 2 9 9 HIS HB2 H 1 2.794 . . 2 . 611 . . . . . . 18764 2
52 . 2 2 9 9 HIS HD2 H 1 6.550 . . 1 . 612 . . . . . . 18764 2
53 . 2 2 9 9 HIS HE1 H 1 7.526 . . 1 . 613 . . . . . . 18764 2
54 . 2 2 10 10 ARG HG3 H 1 1.440 . . 1 . 614 . . . . . . 18764 2
55 . 2 2 10 10 ARG HG2 H 1 1.440 . . 1 . 615 . . . . . . 18764 2
56 . 2 2 10 10 ARG HD3 H 1 4.290 . . 1 . 616 . . . . . . 18764 2
57 . 2 2 10 10 ARG HD2 H 1 4.290 . . 1 . 617 . . . . . . 18764 2
58 . 2 2 11 11 TYR HD1 H 1 6.934 . . 3 . 618 . . . . . . 18764 2
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