Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20019
_Assigned_chem_shift_list.ID 1
_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 .
_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
5 '2D 1H-1H TOCSY' . . . 20019 1
6 '2D 1H-1H NOESY' . . . 20019 1
stop_
loop_
_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
3 $XEASY . . 20019 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.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 ARG HA H 1 4.042 0.003 . 1 . . . . 1 ARG HA . 20019 1
2 . 1 1 1 1 ARG HB2 H 1 1.934 0.003 . 2 . . . . 1 ARG HB2 . 20019 1
3 . 1 1 1 1 ARG HB3 H 1 1.700 0.001 . 2 . . . . 1 ARG HB3 . 20019 1
4 . 1 1 1 1 ARG HD2 H 1 3.240 0.003 . 1 . . . . 1 ARG QD . 20019 1
5 . 1 1 1 1 ARG HD3 H 1 3.240 0.003 . 1 . . . . 1 ARG QD . 20019 1
6 . 1 1 1 1 ARG HG2 H 1 1.665 0.001 . 1 . . . . 1 ARG QG . 20019 1
7 . 1 1 1 1 ARG HG3 H 1 1.665 0.001 . 1 . . . . 1 ARG QG . 20019 1
8 . 1 1 2 2 LYS HA H 1 4.387 0.003 . 1 . . . . 2 LYS HA . 20019 1
9 . 1 1 2 2 LYS HB2 H 1 1.831 0.004 . 2 . . . . 2 LYS HB2 . 20019 1
10 . 1 1 2 2 LYS HB3 H 1 1.723 0.003 . 2 . . . . 2 LYS HB3 . 20019 1
11 . 1 1 2 2 LYS HD2 H 1 1.512 0.003 . 1 . . . . 2 LYS QD . 20019 1
12 . 1 1 2 2 LYS HD3 H 1 1.512 0.003 . 1 . . . . 2 LYS QD . 20019 1
13 . 1 1 2 2 LYS HE2 H 1 3.031 0.002 . 1 . . . . 2 LYS QE . 20019 1
14 . 1 1 2 2 LYS HE3 H 1 3.031 0.002 . 1 . . . . 2 LYS QE . 20019 1
15 . 1 1 2 2 LYS HG2 H 1 1.459 0.003 . 1 . . . . 2 LYS QG . 20019 1
16 . 1 1 2 2 LYS HG3 H 1 1.459 0.003 . 1 . . . . 2 LYS QG . 20019 1
17 . 1 1 3 3 ARG H H 1 8.716 0.003 . 1 . . . . 3 ARG HN . 20019 1
18 . 1 1 3 3 ARG HA H 1 4.374 0.001 . 1 . . . . 3 ARG HA . 20019 1
19 . 1 1 3 3 ARG HB2 H 1 1.786 0.001 . 2 . . . . 3 ARG HB2 . 20019 1
20 . 1 1 3 3 ARG HB3 H 1 1.653 0.001 . 2 . . . . 3 ARG HB3 . 20019 1
21 . 1 1 3 3 ARG HD2 H 1 3.184 0.003 . 1 . . . . 3 ARG QD . 20019 1
22 . 1 1 3 3 ARG HD3 H 1 3.184 0.003 . 1 . . . . 3 ARG QD . 20019 1
23 . 1 1 3 3 ARG HE H 1 7.306 0.001 . 1 . . . . 3 ARG HE . 20019 1
24 . 1 1 3 3 ARG HG2 H 1 1.572 0.002 . 1 . . . . 3 ARG QG . 20019 1
25 . 1 1 3 3 ARG HG3 H 1 1.572 0.002 . 1 . . . . 3 ARG QG . 20019 1
26 . 1 1 4 4 ILE H H 1 8.434 0.003 . 1 . . . . 4 ILE HN . 20019 1
27 . 1 1 4 4 ILE HA H 1 4.198 0.003 . 1 . . . . 4 ILE HA . 20019 1
28 . 1 1 4 4 ILE HB H 1 1.831 0.003 . 1 . . . . 4 ILE HB . 20019 1
29 . 1 1 4 4 ILE HD11 H 1 0.877 0.003 . 1 . . . . 4 ILE QD1 . 20019 1
30 . 1 1 4 4 ILE HD12 H 1 0.877 0.003 . 1 . . . . 4 ILE QD1 . 20019 1
31 . 1 1 4 4 ILE HD13 H 1 0.877 0.003 . 1 . . . . 4 ILE QD1 . 20019 1
32 . 1 1 4 4 ILE HG12 H 1 1.459 0.003 . 1 . . . . 4 ILE QG1 . 20019 1
33 . 1 1 4 4 ILE HG13 H 1 1.459 0.003 . 1 . . . . 4 ILE QG1 . 20019 1
34 . 1 1 4 4 ILE HG21 H 1 1.190 0.003 . 1 . . . . 4 ILE QG2 . 20019 1
35 . 1 1 4 4 ILE HG22 H 1 1.190 0.003 . 1 . . . . 4 ILE QG2 . 20019 1
36 . 1 1 4 4 ILE HG23 H 1 1.190 0.003 . 1 . . . . 4 ILE QG2 . 20019 1
37 . 1 1 5 5 HIS H H 1 8.694 0.001 . 1 . . . . 5 HIS HN . 20019 1
38 . 1 1 5 5 HIS HA H 1 4.702 0.003 . 1 . . . . 5 HIS HA . 20019 1
39 . 1 1 5 5 HIS HB2 H 1 3.113 0.001 . 2 . . . . 5 HIS HB2 . 20019 1
40 . 1 1 5 5 HIS HB3 H 1 3.048 0.003 . 2 . . . . 5 HIS HB3 . 20019 1
41 . 1 1 5 5 HIS HD2 H 1 7.034 0.001 . 1 . . . . 5 HIS HD2 . 20019 1
42 . 1 1 5 5 HIS HE1 H 1 7.977 0.003 . 1 . . . . 5 HIS HE1 . 20019 1
43 . 1 1 6 6 ILE H H 1 8.309 0.003 . 1 . . . . 6 ILE HN . 20019 1
44 . 1 1 6 6 ILE HA H 1 4.231 0.003 . 1 . . . . 6 ILE HA . 20019 1
45 . 1 1 6 6 ILE HB H 1 1.843 0.003 . 1 . . . . 6 ILE HB . 20019 1
46 . 1 1 6 6 ILE HD11 H 1 0.860 0.003 . 1 . . . . 6 ILE QD1 . 20019 1
47 . 1 1 6 6 ILE HD12 H 1 0.860 0.003 . 1 . . . . 6 ILE QD1 . 20019 1
48 . 1 1 6 6 ILE HD13 H 1 0.860 0.003 . 1 . . . . 6 ILE QD1 . 20019 1
49 . 1 1 6 6 ILE HG12 H 1 1.456 0.002 . 1 . . . . 6 ILE HG1 . 20019 1
50 . 1 1 6 6 ILE HG13 H 1 1.456 0.002 . 1 . . . . 6 ILE HG1 . 20019 1
51 . 1 1 6 6 ILE HG21 H 1 0.917 0.001 . 1 . . . . 6 ILE QG2 . 20019 1
52 . 1 1 6 6 ILE HG22 H 1 0.917 0.001 . 1 . . . . 6 ILE QG2 . 20019 1
53 . 1 1 6 6 ILE HG23 H 1 0.917 0.001 . 1 . . . . 6 ILE QG2 . 20019 1
54 . 1 1 7 7 GLY H H 1 8.422 0.002 . 1 . . . . 7 GLY HN . 20019 1
55 . 1 1 7 7 GLY HA2 H 1 4.136 0.003 . 1 . . . . 7 GLY QA . 20019 1
56 . 1 1 7 7 GLY HA3 H 1 4.136 0.003 . 1 . . . . 7 GLY QA . 20019 1
57 . 1 1 8 8 PRO HA H 1 4.506 0.003 . 1 . . . . 8 PRO HA . 20019 1
58 . 1 1 8 8 PRO HB2 H 1 2.319 0.001 . 2 . . . . 8 PRO HB2 . 20019 1
59 . 1 1 8 8 PRO HB3 H 1 2.069 0.001 . 2 . . . . 8 PRO HB3 . 20019 1
60 . 1 1 8 8 PRO HD2 H 1 3.711 0.003 . 2 . . . . 8 PRO HD2 . 20019 1
61 . 1 1 8 8 PRO HD3 H 1 3.667 0.003 . 2 . . . . 8 PRO HD3 . 20019 1
62 . 1 1 8 8 PRO HG2 H 1 2.029 0.003 . 1 . . . . 8 PRO QG . 20019 1
63 . 1 1 8 8 PRO HG3 H 1 2.029 0.003 . 1 . . . . 8 PRO QG . 20019 1
64 . 1 1 9 9 GLY H H 1 8.714 0.003 . 1 . . . . 9 GLY HN . 20019 1
65 . 1 1 9 9 GLY HA2 H 1 3.974 0.001 . 1 . . . . 9 GLY QA . 20019 1
66 . 1 1 9 9 GLY HA3 H 1 3.974 0.001 . 1 . . . . 9 GLY QA . 20019 1
67 . 1 1 10 10 ARG H H 1 8.212 0.001 . 1 . . . . 10 ARG HN . 20019 1
68 . 1 1 10 10 ARG HA H 1 4.260 0.003 . 1 . . . . 10 ARG HA . 20019 1
69 . 1 1 10 10 ARG HB2 H 1 1.779 0.003 . 2 . . . . 10 ARG HB2 . 20019 1
70 . 1 1 10 10 ARG HB3 H 1 1.683 0.003 . 2 . . . . 10 ARG HB3 . 20019 1
71 . 1 1 10 10 ARG HD2 H 1 3.128 0.003 . 1 . . . . 10 ARG QD . 20019 1
72 . 1 1 10 10 ARG HD3 H 1 3.128 0.003 . 1 . . . . 10 ARG QD . 20019 1
73 . 1 1 10 10 ARG HE H 1 7.225 0.002 . 1 . . . . 10 ARG HE . 20019 1
74 . 1 1 10 10 ARG HG2 H 1 1.533 0.003 . 1 . . . . 10 ARG QG . 20019 1
75 . 1 1 10 10 ARG HG3 H 1 1.533 0.003 . 1 . . . . 10 ARG QG . 20019 1
76 . 1 1 11 11 ALA H H 1 8.384 0.001 . 1 . . . . 11 ALA HN . 20019 1
77 . 1 1 11 11 ALA HA H 1 4.260 0.005 . 1 . . . . 11 ALA HA . 20019 1
78 . 1 1 11 11 ALA HB1 H 1 1.268 0.002 . 1 . . . . 11 ALA QB . 20019 1
79 . 1 1 11 11 ALA HB2 H 1 1.268 0.002 . 1 . . . . 11 ALA QB . 20019 1
80 . 1 1 11 11 ALA HB3 H 1 1.268 0.002 . 1 . . . . 11 ALA QB . 20019 1
81 . 1 1 12 12 PHE H H 1 8.194 0.001 . 1 . . . . 12 PHE HN . 20019 1
82 . 1 1 12 12 PHE HA H 1 4.618 0.002 . 1 . . . . 12 PHE HA . 20019 1
83 . 1 1 12 12 PHE HB2 H 1 3.127 0.003 . 2 . . . . 12 PHE HB2 . 20019 1
84 . 1 1 12 12 PHE HB3 H 1 2.946 0.003 . 2 . . . . 12 PHE HB3 . 20019 1
85 . 1 1 12 12 PHE HD1 H 1 7.223 0.003 . 1 . . . . 12 PHE QD . 20019 1
86 . 1 1 12 12 PHE HD2 H 1 7.223 0.003 . 1 . . . . 12 PHE QD . 20019 1
87 . 1 1 12 12 PHE HE1 H 1 7.342 0.003 . 1 . . . . 12 PHE QE . 20019 1
88 . 1 1 12 12 PHE HE2 H 1 7.342 0.003 . 1 . . . . 12 PHE QE . 20019 1
89 . 1 1 13 13 TYR H H 1 7.815 0.003 . 1 . . . . 13 TYR HN . 20019 1
90 . 1 1 13 13 TYR HA H 1 4.371 0.003 . 1 . . . . 13 TYR HA . 20019 1
91 . 1 1 13 13 TYR HB2 H 1 3.099 0.003 . 2 . . . . 13 TYR HB2 . 20019 1
92 . 1 1 13 13 TYR HB3 H 1 2.896 0.003 . 2 . . . . 13 TYR HB3 . 20019 1
93 . 1 1 13 13 TYR HD1 H 1 7.105 0.003 . 1 . . . . 13 TYR QD . 20019 1
94 . 1 1 13 13 TYR HD2 H 1 7.105 0.003 . 1 . . . . 13 TYR QD . 20019 1
95 . 1 1 13 13 TYR HE1 H 1 6.821 0.002 . 1 . . . . 13 TYR QE . 20019 1
96 . 1 1 13 13 TYR HE2 H 1 6.821 0.002 . 1 . . . . 13 TYR QE . 20019 1
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