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 53612
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'shift list'
_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 .
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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 '1D 1H' . . . 53612 1
2 '1D 13C' . . . 53612 1
3 '1D 19F' . . . 53612 1
4 '2D 1H-15N HSQC' . . . 53612 1
5 '2D 1H-1H TOCSY' . . . 53612 1
6 '2D 1H-13C HSQC' . . . 53612 1
7 '2D 1H-1H COSY' . . . 53612 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 . . 53612 1
2 $software_2 . . 53612 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 ACE H1 H 1 2.055 0.000 . 1 . . . . . 0 ACE HA . 53612 1
2 . 1 . 1 1 1 ACE H2 H 1 2.055 0.000 . 1 . . . . . 0 ACE HA . 53612 1
3 . 1 . 1 1 1 ACE H3 H 1 2.055 0.000 . 1 . . . . . 0 ACE HA . 53612 1
4 . 1 . 1 1 1 ACE C C 13 177.745 0.005 . 1 . . . . . 0 ACE C . 53612 1
5 . 1 . 1 1 1 ACE CH3 C 13 24.546 0.000 . 1 . . . . . 0 ACE CA . 53612 1
6 . 1 . 1 2 2 GLY H H 1 8.270 0.001 . 5 . . . . . 1 GLY H . 53612 1
7 . 1 . 1 2 2 GLY HA2 H 1 3.891 0.002 . 5 . . . . . 1 GLY HA2 . 53612 1
8 . 1 . 1 2 2 GLY C C 13 175.118 0.000 . 1 . . . . . 1 GLY C . 53612 1
9 . 1 . 1 2 2 GLY CA C 13 45.429 0.000 . 5 . . . . . 1 GLY CA . 53612 1
10 . 1 . 1 2 2 GLY N N 15 108.442 0.000 . 5 . . . . . 1 GLY N . 53612 1
11 . 1 . 1 3 3 GLY H H 1 8.271 0.001 . 5 . . . . . 2 GLY H . 53612 1
12 . 1 . 1 3 3 GLY HA2 H 1 3.856 0.008 . 5 . . . . . 2 GLY HA2 . 53612 1
13 . 1 . 1 3 3 GLY C C 13 173.972 0.000 . 1 . . . . . 2 GLY C . 53612 1
14 . 1 . 1 3 3 GLY CA C 13 45.158 0.000 . 5 . . . . . 2 GLY CA . 53612 1
15 . 1 . 1 3 3 GLY N N 15 114.259 0.000 . 5 . . . . . 2 GLY N . 53612 1
16 . 1 . 1 4 4 X H H 1 8.269 0.001 . 1 . . . . . 3 X H . 53612 1
17 . 1 . 1 4 4 X HA H 1 4.644 0.003 . 1 . . . . . 3 X HA . 53612 1
18 . 1 . 1 4 4 X HB2 H 1 3.456 0.005 . 2 . . . . . 3 X HB2 . 53612 1
19 . 1 . 1 4 4 X HB3 H 1 3.348 0.004 . 2 . . . . . 3 X HB3 . 53612 1
20 . 1 . 1 4 4 X HE1 H 1 11.296 0.000 . 1 . . . . . 3 X HE1 . 53612 1
21 . 1 . 1 4 4 X HE3 H 1 7.715 0.002 . 1 . . . . . 3 X HE3 . 53612 1
22 . 1 . 1 4 4 X HZ2 H 1 7.538 0.002 . 1 . . . . . 3 X HZ2 . 53612 1
23 . 1 . 1 4 4 X HZ3 H 1 7.250 0.003 . 1 . . . . . 3 X HZ3 . 53612 1
24 . 1 . 1 4 4 X HH2 H 1 7.389 0.002 . 1 . . . . . 3 X HH2 . 53612 1
25 . 1 . 1 4 4 X C C 13 175.496 0.006 . 1 . . . . . 3 X C . 53612 1
26 . 1 . 1 4 4 X C2M C 13 124.700 0.000 . 1 . . . . . 3 X C2M . 53612 1
27 . 1 . 1 4 4 X CA C 13 57.473 0.000 . 1 . . . . . 3 X CA . 53612 1
28 . 1 . 1 4 4 X CB C 13 28.364 0.000 . 1 . . . . . 3 X CB . 53612 1
29 . 1 . 1 4 4 X CG C 13 113.800 0.000 . 1 . . . . . 3 X CG . 53612 1
30 . 1 . 1 4 4 X CD1 C 13 125.800 0.000 . 1 . . . . . 3 X CD1 . 53612 1
31 . 1 . 1 4 4 X CD2 C 13 129.500 0.000 . 1 . . . . . 3 X CD2 . 53612 1
32 . 1 . 1 4 4 X CE2 C 13 134.800 0.000 . 1 . . . . . 3 X CE2 . 53612 1
33 . 1 . 1 4 4 X CE3 C 13 122.447 0.000 . 1 . . . . . 3 X CE3 . 53612 1
34 . 1 . 1 4 4 X CZ2 C 13 115.222 0.000 . 1 . . . . . 3 X CZ2 . 53612 1
35 . 1 . 1 4 4 X CZ3 C 13 123.425 0.000 . 1 . . . . . 3 X CZ3 . 53612 1
36 . 1 . 1 4 4 X CH2 C 13 127.585 0.000 . 1 . . . . . 3 X CH2 . 53612 1
37 . 1 . 1 4 4 X N N 15 120.673 0.000 . 1 . . . . . 3 X N . 53612 1
38 . 1 . 1 4 4 X NE1 N 15 127.678 0.000 . 1 . . . . . 3 X NE1 . 53612 1
39 . 1 . 1 4 4 X F2M F 19 -57.700 0.000 . 1 . . . . . 3 X F2M . 53612 1
40 . 1 . 1 5 5 ALA H H 1 8.118 0.000 . 1 . . . . . 4 ALA H . 53612 1
41 . 1 . 1 5 5 ALA HA H 1 4.215 0.003 . 1 . . . . . 4 ALA HA . 53612 1
42 . 1 . 1 5 5 ALA HB1 H 1 1.285 0.003 . 1 . . . . . 4 ALA HB . 53612 1
43 . 1 . 1 5 5 ALA HB2 H 1 1.285 0.003 . 1 . . . . . 4 ALA HB . 53612 1
44 . 1 . 1 5 5 ALA HB3 H 1 1.285 0.003 . 1 . . . . . 4 ALA HB . 53612 1
45 . 1 . 1 5 5 ALA C C 13 177.650 0.002 . 1 . . . . . 4 ALA C . 53612 1
46 . 1 . 1 5 5 ALA CA C 13 52.491 0.000 . 1 . . . . . 4 ALA CA . 53612 1
47 . 1 . 1 5 5 ALA CB C 13 19.248 0.000 . 1 . . . . . 4 ALA CB . 53612 1
48 . 1 . 1 5 5 ALA N N 15 126.146 0.000 . 1 . . . . . 4 ALA N . 53612 1
49 . 1 . 1 6 6 GLY H H 1 7.808 0.001 . 5 . . . . . 5 GLY H . 53612 1
50 . 1 . 1 6 6 GLY HA2 H 1 3.801 0.007 . 5 . . . . . 5 GLY HA2 . 53612 1
51 . 1 . 1 6 6 GLY C C 13 174.557 0.008 . 1 . . . . . 5 GLY C . 53612 1
52 . 1 . 1 6 6 GLY CA C 13 45.368 0.000 . 5 . . . . . 5 GLY CA . 53612 1
53 . 1 . 1 6 6 GLY N N 15 107.711 0.000 . 5 . . . . . 5 GLY N . 53612 1
54 . 1 . 1 7 7 GLY H H 1 8.169 0.002 . 5 . . . . . 6 GLY H . 53612 1
55 . 1 . 1 7 7 GLY HA2 H 1 3.911 0.003 . 5 . . . . . 6 GLY HA2 . 53612 1
56 . 1 . 1 7 7 GLY CA C 13 44.888 0.000 . 5 . . . . . 6 GLY CA . 53612 1
57 . 1 . 1 7 7 GLY N N 15 109.486 0.000 . 5 . . . . . 6 GLY N . 53612 1
58 . 1 . 1 8 8 NH2 HN1 H 1 7.498 0.000 . 2 . . . . . 7 NH2 H1 . 53612 1
59 . 1 . 1 8 8 NH2 HN2 H 1 7.079 0.001 . 2 . . . . . 7 NH2 H2 . 53612 1
60 . 1 . 1 8 8 NH2 N N 15 107.221 0.002 . 1 . . . . . 7 NH2 N . 53612 1
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