Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 18351
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 28
_Assigned_chem_shift_list.Sample_condition_list_label $CondSet1
_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 'T2:1 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
2 'T2:2 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
3 'T2:3 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
4 'T2:4 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
5 'T2:5 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
6 'T2:6 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
7 'T2:7 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
8 'T2:8 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
9 'T2:9 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
10 'T2:10 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
11 'T2:11 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
12 'T2:12 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
13 'T2:13 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
14 'T2:14 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
15 'T2:15 (H[n[T2(N)]])' 1 $13C15N_03 isotropic 18351 2
16 'T1:1 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
17 'T1:2 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
18 'T1:3 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
19 'T1:4 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
20 'T1:5 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
21 'T1:6 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
22 'T1:7 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
23 'T1:8 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
24 'T1:9 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
25 'T1:10 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
26 'T1:11 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
27 'T1:12 (H[n[T1(N)]])' 1 $13C15N_03 isotropic 18351 2
28 'htNOE 1 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 2
29 'htNOE 2 (H[n[Trho(N)]])' 1 $13C15N_03 isotropic 18351 2
30 '3D 1H-13C NOESY' 2 $13C15N_02 isotropic 18351 2
32 '3D 1H-15N NOESY' 3 $15N isotropic 18351 2
33 '2D 1H-1H NOESY' 4 $unlabeled isotropic 18351 2
34 '3D HNCO' 5 $13C15N_01 isotropic 18351 2
35 'HNcaCO (H[N[ca[CO]]])' 5 $13C15N_01 isotropic 18351 2
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.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 20 20 THR H H 1 8.259 0.008 . . . . . . . 20 THR HN . 18351 2
2 . 1 1 20 20 THR C C 13 177.693 0.000 . . . . . . . 20 THR C . 18351 2
3 . 1 1 20 20 THR N N 15 117.066 0.115 . . . . . . . 20 THR N . 18351 2
4 . 1 1 68 68 LEU H H 1 8.584 0.007 . . . . . . . 68 LEU HN . 18351 2
5 . 1 1 68 68 LEU HA H 1 4.381 0.008 . . . . . . . 68 LEU HA . 18351 2
6 . 1 1 68 68 LEU HB2 H 1 1.409 0.011 . . . . . . . 68 LEU HB2 . 18351 2
7 . 1 1 68 68 LEU HB3 H 1 1.510 0.000 . . . . . . . 68 LEU HB3 . 18351 2
8 . 1 1 68 68 LEU CA C 13 54.804 0.052 . . . . . . . 68 LEU CA . 18351 2
9 . 1 1 68 68 LEU CB C 13 42.264 0.078 . . . . . . . 68 LEU CB . 18351 2
10 . 1 1 68 68 LEU N N 15 128.794 0.126 . . . . . . . 68 LEU N . 18351 2
11 . 1 1 69 69 GLY H H 1 7.897 0.003 . . . . . . . 69 GLY HN . 18351 2
12 . 1 1 69 69 GLY HA2 H 1 3.704 0.007 . . . . . . . 69 GLY HA1 . 18351 2
13 . 1 1 69 69 GLY HA3 H 1 4.025 0.018 . . . . . . . 69 GLY HA2 . 18351 2
14 . 1 1 69 69 GLY C C 13 173.351 0.009 . . . . . . . 69 GLY C . 18351 2
15 . 1 1 69 69 GLY N N 15 111.241 0.039 . . . . . . . 69 GLY N . 18351 2
16 . 1 1 70 70 GLN H H 1 8.389 0.003 . . . . . . . 70 GLN HN . 18351 2
17 . 1 1 70 70 GLN HA H 1 4.076 0.001 . . . . . . . 70 GLN HA . 18351 2
18 . 1 1 70 70 GLN HB3 H 1 1.962 0.002 . . . . . . . 70 GLN HB3 . 18351 2
19 . 1 1 70 70 GLN CA C 13 56.985 0.027 . . . . . . . 70 GLN CA . 18351 2
20 . 1 1 70 70 GLN CB C 13 30.053 0.093 . . . . . . . 70 GLN CB . 18351 2
21 . 1 1 70 70 GLN N N 15 120.096 0.069 . . . . . . . 70 GLN N . 18351 2
22 . 1 1 71 71 ASP H H 1 7.687 0.002 . . . . . . . 71 ASP HN . 18351 2
23 . 1 1 71 71 ASP HA H 1 4.766 0.009 . . . . . . . 71 ASP HA . 18351 2
24 . 1 1 71 71 ASP HB3 H 1 2.635 0.004 . . . . . . . 71 ASP HB3 . 18351 2
25 . 1 1 71 71 ASP C C 13 174.295 0.000 . . . . . . . 71 ASP C . 18351 2
26 . 1 1 71 71 ASP CA C 13 53.066 0.030 . . . . . . . 71 ASP CA . 18351 2
27 . 1 1 71 71 ASP CB C 13 43.100 0.061 . . . . . . . 71 ASP CB . 18351 2
28 . 1 1 71 71 ASP N N 15 117.581 0.084 . . . . . . . 71 ASP N . 18351 2
29 . 1 1 72 72 ILE H H 1 8.359 0.004 . . . . . . . 72 ILE HN . 18351 2
30 . 1 1 72 72 ILE C C 13 178.321 0.000 . . . . . . . 72 ILE C . 18351 2
31 . 1 1 72 72 ILE CA C 13 61.045 0.000 . . . . . . . 72 ILE CA . 18351 2
32 . 1 1 72 72 ILE N N 15 123.813 0.062 . . . . . . . 72 ILE N . 18351 2
33 . 1 1 77 77 PRO HA H 1 4.247 0.000 . . . . . . . 77 PRO HA . 18351 2
34 . 1 1 77 77 PRO HB3 H 1 2.172 0.004 . . . . . . . 77 PRO HB3 . 18351 2
35 . 1 1 77 77 PRO C C 13 176.708 0.000 . . . . . . . 77 PRO C . 18351 2
36 . 1 1 77 77 PRO CA C 13 63.224 0.057 . . . . . . . 77 PRO CA . 18351 2
37 . 1 1 77 77 PRO CG C 13 27.509 0.000 . . . . . . . 77 PRO CG . 18351 2
38 . 1 1 78 78 ALA H H 1 8.354 0.003 . . . . . . . 78 ALA HN . 18351 2
39 . 1 1 78 78 ALA HA H 1 4.126 0.007 . . . . . . . 78 ALA HA . 18351 2
40 . 1 1 78 78 ALA HB1 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2
41 . 1 1 78 78 ALA HB2 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2
42 . 1 1 78 78 ALA HB3 H 1 1.246 0.005 . . . . . . . 78 ALA HB . 18351 2
43 . 1 1 78 78 ALA C C 13 178.355 0.026 . . . . . . . 78 ALA C . 18351 2
44 . 1 1 78 78 ALA CA C 13 52.652 0.051 . . . . . . . 78 ALA CA . 18351 2
45 . 1 1 78 78 ALA CB C 13 19.200 0.081 . . . . . . . 78 ALA CB . 18351 2
46 . 1 1 78 78 ALA N N 15 124.675 0.131 . . . . . . . 78 ALA N . 18351 2
47 . 1 1 79 79 GLY H H 1 8.285 0.004 . . . . . . . 79 GLY HN . 18351 2
48 . 1 1 79 79 GLY HA2 H 1 3.763 0.013 . . . . . . . 79 GLY HA2 . 18351 2
49 . 1 1 79 79 GLY N N 15 108.777 0.050 . . . . . . . 79 GLY N . 18351 2
50 . 1 1 80 80 LEU H H 1 7.662 0.005 . . . . . . . 80 LEU HN . 18351 2
51 . 1 1 80 80 LEU HA H 1 4.059 0.002 . . . . . . . 80 LEU HA . 18351 2
52 . 1 1 80 80 LEU C C 13 182.694 0.000 . . . . . . . 80 LEU C . 18351 2
53 . 1 1 80 80 LEU CA C 13 56.533 0.058 . . . . . . . 80 LEU CA . 18351 2
54 . 1 1 80 80 LEU N N 15 127.247 0.050 . . . . . . . 80 LEU N . 18351 2
stop_
save_