Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18590
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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/4b19/ebi/chemicalshift2-depositBMRB_1.txt.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 NOESY 1 $sample_1 solution 18590 1
2 TOCSY 1 $sample_1 solution 18590 1
3 COSY 1 $sample_1 solution 18590 1
stop_
loop_
_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 2 2 LEU H H 1 9.11 0.02 . 1 . . 1 . . 2 LEU H . 18590 1
2 . 1 . 1 2 2 LEU HA H 1 4.51 0.02 . 1 . . 2 . . 2 LEU HA . 18590 1
3 . 1 . 1 2 2 LEU HB2 H 1 1.92 0.02 . 2 . . 4 . . 2 LEU HB2 . 18590 1
4 . 1 . 1 2 2 LEU HB3 H 1 1.96 0.02 . 2 . . 3 . . 2 LEU HB3 . 18590 1
5 . 1 . 1 3 3 ILE H H 1 8.53 0.02 . 1 . . 5 . . 3 ILE H . 18590 1
6 . 1 . 1 3 3 ILE HA H 1 4.03 0.02 . 1 . . 6 . . 3 ILE HA . 18590 1
7 . 1 . 1 3 3 ILE HB H 1 2.16 0.02 . 1 . . 7 . . 3 ILE HB . 18590 1
8 . 1 . 1 4 4 PHE H H 1 8.40 0.02 . 1 . . 8 . . 4 PHE H . 18590 1
9 . 1 . 1 4 4 PHE HA H 1 4.51 0.02 . 1 . . 9 . . 4 PHE HA . 18590 1
10 . 1 . 1 4 4 PHE HB2 H 1 3.37 0.02 . 2 . . 11 . . 4 PHE HB2 . 18590 1
11 . 1 . 1 4 4 PHE HB3 H 1 3.38 0.02 . 2 . . 10 . . 4 PHE HB3 . 18590 1
12 . 1 . 1 5 5 VAL H H 1 7.96 0.02 . 1 . . 12 . . 5 VAL H . 18590 1
13 . 1 . 1 5 5 VAL HA H 1 3.81 0.02 . 1 . . 13 . . 5 VAL HA . 18590 1
14 . 1 . 1 5 5 VAL HB H 1 2.28 0.02 . 1 . . 14 . . 5 VAL HB . 18590 1
15 . 1 . 1 6 6 HIS H H 1 8.06 0.02 . 1 . . 15 . . 6 HIS H . 18590 1
16 . 1 . 1 6 6 HIS HA H 1 4.53 0.02 . 1 . . 16 . . 6 HIS HA . 18590 1
17 . 1 . 1 6 6 HIS HB2 H 1 3.50 0.02 . 1 . . 18 . . 6 HIS HB2 . 18590 1
18 . 1 . 1 6 6 HIS HB3 H 1 3.50 0.02 . 1 . . 17 . . 6 HIS HB3 . 18590 1
19 . 1 . 1 7 7 ILE H H 1 7.90 0.02 . 1 . . 19 . . 7 ILE H . 18590 1
20 . 1 . 1 7 7 ILE HA H 1 4.25 0.02 . 1 . . 20 . . 7 ILE HA . 18590 1
21 . 1 . 1 7 7 ILE HB H 1 2.16 0.02 . 1 . . 21 . . 7 ILE HB . 18590 1
22 . 1 . 1 8 8 ILE H H 1 7.86 0.02 . 1 . . 22 . . 8 ILE H . 18590 1
23 . 1 . 1 8 8 ILE HA H 1 4.25 0.02 . 1 . . 23 . . 8 ILE HA . 18590 1
24 . 1 . 1 8 8 ILE HB H 1 1.95 0.02 . 1 . . 24 . . 8 ILE HB . 18590 1
25 . 1 . 1 9 9 ALA H H 1 8.44 0.02 . 1 . . 25 . . 9 ALA H . 18590 1
26 . 1 . 1 9 9 ALA HA H 1 4.39 0.02 . 1 . . 26 . . 9 ALA HA . 18590 1
27 . 1 . 1 10 10 PRO HA H 1 4.49 0.02 . 1 . . 28 . . 10 PRO HA . 18590 1
28 . 1 . 1 10 10 PRO HB2 H 1 2.40 0.02 . 2 . . 30 . . 10 PRO HB2 . 18590 1
29 . 1 . 1 10 10 PRO HB3 H 1 2.52 0.02 . 2 . . 29 . . 10 PRO HB3 . 18590 1
30 . 1 . 1 11 11 VAL H H 1 7.45 0.02 . 1 . . 31 . . 11 VAL H . 18590 1
31 . 1 . 1 11 11 VAL HA H 1 3.97 0.02 . 1 . . 32 . . 11 VAL HA . 18590 1
32 . 1 . 1 11 11 VAL HB H 1 2.50 0.02 . 1 . . 33 . . 11 VAL HB . 18590 1
33 . 1 . 1 12 12 ILE H H 1 8.29 0.02 . 1 . . 34 . . 12 ILE H . 18590 1
34 . 1 . 1 12 12 ILE HA H 1 3.86 0.02 . 1 . . 35 . . 12 ILE HA . 18590 1
35 . 1 . 1 12 12 ILE HB H 1 2.15 0.02 . 1 . . 36 . . 12 ILE HB . 18590 1
36 . 1 . 1 13 13 SER H H 1 8.51 0.02 . 1 . . 37 . . 13 SER H . 18590 1
37 . 1 . 1 13 13 SER HA H 1 4.35 0.02 . 1 . . 38 . . 13 SER HA . 18590 1
38 . 1 . 1 13 13 SER HB2 H 1 4.06 0.02 . 2 . . 40 . . 13 SER HB2 . 18590 1
39 . 1 . 1 13 13 SER HB3 H 1 4.04 0.02 . 2 . . 39 . . 13 SER HB3 . 18590 1
40 . 1 . 1 14 14 GLY H H 1 8.45 0.02 . 1 . . 41 . . 14 GLY H . 18590 1
41 . 1 . 1 14 14 GLY HA3 H 1 4.09 0.02 . 1 . . 42 . . 14 GLY HA3 . 18590 1
42 . 1 . 1 15 15 CYS H H 1 8.53 0.02 . 1 . . 43 . . 15 CYS H . 18590 1
43 . 1 . 1 15 15 CYS HA H 1 4.33 0.02 . 1 . . 44 . . 15 CYS HA . 18590 1
44 . 1 . 1 15 15 CYS HB2 H 1 3.42 0.02 . 1 . . 45 . . 15 CYS HB2 . 18590 1
45 . 1 . 1 16 16 ALA H H 1 8.57 0.02 . 1 . . 46 . . 16 ALA H . 18590 1
46 . 1 . 1 16 16 ALA HA H 1 4.35 0.02 . 1 . . 47 . . 16 ALA HA . 18590 1
47 . 1 . 1 17 17 ILE H H 1 8.61 0.02 . 1 . . 49 . . 17 ILE H . 18590 1
48 . 1 . 1 17 17 ILE HA H 1 4.03 0.02 . 1 . . 50 . . 17 ILE HA . 18590 1
49 . 1 . 1 17 17 ILE HB H 1 2.22 0.02 . 1 . . 51 . . 17 ILE HB . 18590 1
50 . 1 . 1 18 18 ALA H H 1 8.62 0.02 . 1 . . 52 . . 18 ALA H . 18590 1
51 . 1 . 1 18 18 ALA HA H 1 4.30 0.02 . 1 . . 53 . . 18 ALA HA . 18590 1
52 . 1 . 1 19 19 PHE H H 1 8.84 0.02 . 1 . . 55 . . 19 PHE H . 18590 1
53 . 1 . 1 19 19 PHE HA H 1 4.44 0.02 . 1 . . 56 . . 19 PHE HA . 18590 1
54 . 1 . 1 19 19 PHE HB2 H 1 3.45 0.02 . 1 . . 58 . . 19 PHE HB2 . 18590 1
55 . 1 . 1 19 19 PHE HB3 H 1 3.45 0.02 . 1 . . 57 . . 19 PHE HB3 . 18590 1
56 . 1 . 1 20 20 PHE H H 1 9.11 0.02 . 1 . . 59 . . 20 PHE H . 18590 1
57 . 1 . 1 20 20 PHE HA H 1 4.57 0.02 . 1 . . 60 . . 20 PHE HA . 18590 1
58 . 1 . 1 20 20 PHE HB2 H 1 3.53 0.02 . 2 . . 62 . . 20 PHE HB2 . 18590 1
59 . 1 . 1 20 20 PHE HB3 H 1 3.46 0.02 . 2 . . 61 . . 20 PHE HB3 . 18590 1
60 . 1 . 1 21 21 SER H H 1 8.85 0.02 . 1 . . 63 . . 21 SER H . 18590 1
61 . 1 . 1 21 21 SER HA H 1 4.32 0.02 . 1 . . 64 . . 21 SER HA . 18590 1
62 . 1 . 1 21 21 SER HB2 H 1 4.14 0.02 . 2 . . 66 . . 21 SER HB2 . 18590 1
63 . 1 . 1 21 21 SER HB3 H 1 4.12 0.02 . 2 . . 65 . . 21 SER HB3 . 18590 1
64 . 1 . 1 22 22 TYR H H 1 8.52 0.02 . 1 . . 67 . . 22 TYR H . 18590 1
65 . 1 . 1 22 22 TYR HA H 1 4.14 0.02 . 1 . . 68 . . 22 TYR HA . 18590 1
66 . 1 . 1 23 23 TRP H H 1 8.40 0.02 . 1 . . 69 . . 23 TRP H . 18590 1
67 . 1 . 1 23 23 TRP HA H 1 4.13 0.02 . 1 . . 70 . . 23 TRP HA . 18590 1
68 . 1 . 1 23 23 TRP HB2 H 1 3.50 0.02 . 1 . . 71 . . 23 TRP HB2 . 18590 1
69 . 1 . 1 24 24 LEU H H 1 8.88 0.02 . 1 . . 72 . . 24 LEU H . 18590 1
70 . 1 . 1 24 24 LEU HA H 1 3.98 0.02 . 1 . . 73 . . 24 LEU HA . 18590 1
71 . 1 . 1 24 24 LEU HB2 H 1 1.83 0.02 . 1 . . 75 . . 24 LEU HB2 . 18590 1
72 . 1 . 1 24 24 LEU HB3 H 1 1.83 0.02 . 1 . . 74 . . 24 LEU HB3 . 18590 1
73 . 1 . 1 25 25 SER H H 1 8.05 0.02 . 1 . . 76 . . 25 SER H . 18590 1
74 . 1 . 1 25 25 SER HA H 1 4.26 0.02 . 1 . . 77 . . 25 SER HA . 18590 1
75 . 1 . 1 25 25 SER HB2 H 1 4.09 0.02 . 2 . . 79 . . 25 SER HB2 . 18590 1
76 . 1 . 1 25 25 SER HB3 H 1 4.07 0.02 . 2 . . 78 . . 25 SER HB3 . 18590 1
77 . 1 . 1 26 26 ARG HA H 1 4.11 0.02 . 1 . . 81 . . 26 ARG HA . 18590 1
78 . 1 . 1 26 26 ARG HB2 H 1 1.90 0.02 . 2 . . 83 . . 26 ARG HB2 . 18590 1
79 . 1 . 1 26 26 ARG HB3 H 1 1.79 0.02 . 2 . . 82 . . 26 ARG HB3 . 18590 1
80 . 1 . 1 26 26 ARG HE H 1 7.27 0.02 . 1 . . 84 . . 26 ARG HE . 18590 1
81 . 1 . 1 27 27 ARG H H 1 8.17 0.02 . 1 . . 85 . . 27 ARG H . 18590 1
82 . 1 . 1 27 27 ARG HA H 1 4.14 0.02 . 1 . . 86 . . 27 ARG HA . 18590 1
83 . 1 . 1 27 27 ARG HB2 H 1 1.97 0.02 . 2 . . 88 . . 27 ARG HB2 . 18590 1
84 . 1 . 1 27 27 ARG HB3 H 1 1.89 0.02 . 2 . . 87 . . 27 ARG HB3 . 18590 1
85 . 1 . 1 27 27 ARG HE H 1 7.45 0.02 . 1 . . 89 . . 27 ARG HE . 18590 1
86 . 1 . 1 28 28 ASN HA H 1 4.86 0.02 . 1 . . 91 . . 28 ASN HA . 18590 1
87 . 1 . 1 28 28 ASN HB2 H 1 3.04 0.02 . 2 . . 93 . . 28 ASN HB2 . 18590 1
88 . 1 . 1 28 28 ASN HB3 H 1 2.90 0.02 . 2 . . 92 . . 28 ASN HB3 . 18590 1
89 . 1 . 1 29 29 THR H H 1 7.72 0.02 . 1 . . 94 . . 29 THR H . 18590 1
90 . 1 . 1 29 29 THR HA H 1 4.42 0.02 . 1 . . 95 . . 29 THR HA . 18590 1
91 . 1 . 1 29 29 THR HB H 1 4.42 0.02 . 1 . . 96 . . 29 THR HB . 18590 1
92 . 1 . 1 30 30 LYS H H 1 8.14 0.02 . 1 . . 97 . . 30 LYS H . 18590 1
93 . 1 . 1 30 30 LYS HA H 1 4.60 0.02 . 1 . . 98 . . 30 LYS HA . 18590 1
94 . 1 . 1 30 30 LYS HB2 H 1 2.12 0.02 . 1 . . 99 . . 30 LYS HB2 . 18590 1
stop_
save_