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 21018
_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
1 '2D DQF-COSY' . . . 21018 1
2 '2D 1H-1H TOCSY' . . . 21018 1
3 '2D 1H-1H NOESY' . . . 21018 1
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.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 2.006 0.002 . 1 . . . . 0 ACE HC1 . 21018 1
2 . 1 1 1 1 ACE H2 H 1 2.006 0.002 . 1 . . . . 0 ACE HC2 . 21018 1
3 . 1 1 1 1 ACE H3 H 1 2.006 0.002 . 1 . . . . 0 ACE HC3 . 21018 1
4 . 1 1 2 2 ILE H H 1 8.162 0.001 . 1 . . . . 1 ILE HN . 21018 1
5 . 1 1 2 2 ILE HA H 1 4.099 0.003 . 1 . . . . 1 ILE HA . 21018 1
6 . 1 1 2 2 ILE HB H 1 1.794 0.002 . 1 . . . . 1 ILE HB . 21018 1
7 . 1 1 2 2 ILE HG13 H 1 1.172 0.001 . 2 . . . . 1 ILE HG13 . 21018 1
8 . 1 1 2 2 ILE HG12 H 1 1.432 0.001 . 2 . . . . 1 ILE HG12 . 21018 1
9 . 1 1 2 2 ILE HD11 H 1 0.843 0.002 . 1 . . . . 1 ILE HD11 . 21018 1
10 . 1 1 2 2 ILE HD12 H 1 0.843 0.002 . 1 . . . . 1 ILE HD12 . 21018 1
11 . 1 1 2 2 ILE HD13 H 1 0.843 0.002 . 1 . . . . 1 ILE HD13 . 21018 1
12 . 1 1 2 2 ILE HG21 H 1 0.881 0.003 . 1 . . . . 1 ILE HG21 . 21018 1
13 . 1 1 2 2 ILE HG22 H 1 0.881 0.003 . 1 . . . . 1 ILE HG22 . 21018 1
14 . 1 1 2 2 ILE HG23 H 1 0.881 0.003 . 1 . . . . 1 ILE HG23 . 21018 1
15 . 1 1 3 3 CYS HA H 1 4.658 0.001 . 1 . . . . 2 CYS HA . 21018 1
16 . 1 1 3 3 CYS H H 1 8.209 0.001 . 1 . . . . 2 CYS HN . 21018 1
17 . 1 1 3 3 CYS HB3 H 1 2.852 0.001 . 1 . . . . 2 CYS HB3 . 21018 1
18 . 1 1 3 3 CYS HB2 H 1 2.852 0.001 . 1 . . . . 2 CYS HB2 . 21018 1
19 . 1 1 4 4 VAL HA H 1 4.127 0.001 . 1 . . . . 3 VAL HA . 21018 1
20 . 1 1 4 4 VAL H H 1 8.389 0.002 . 1 . . . . 3 VAL HN . 21018 1
21 . 1 1 4 4 VAL HB H 1 1.925 0 . 1 . . . . 3 VAL HB . 21018 1
22 . 1 1 4 4 VAL HG21 H 1 0.819 0 . 2 . . . . 3 VAL HG21 . 21018 1
23 . 1 1 4 4 VAL HG22 H 1 0.819 0 . 2 . . . . 3 VAL HG22 . 21018 1
24 . 1 1 4 4 VAL HG23 H 1 0.819 0 . 2 . . . . 3 VAL HG23 . 21018 1
25 . 1 1 4 4 VAL HG11 H 1 0.852 0.002 . 2 . . . . 3 VAL HG11 . 21018 1
26 . 1 1 4 4 VAL HG12 H 1 0.852 0.002 . 2 . . . . 3 VAL HG12 . 21018 1
27 . 1 1 4 4 VAL HG13 H 1 0.852 0.002 . 2 . . . . 3 VAL HG13 . 21018 1
28 . 1 1 5 5 TRM HA H 1 4.402 0.084 . 1 . . . . 4 TRM HA . 21018 1
29 . 1 1 5 5 TRM HM1 H 1 7.841 0.002 . 1 . . . . 4 TRM HM1 . 21018 1
30 . 1 1 5 5 TRM HM2 H 1 7.841 0.002 . 1 . . . . 4 TRM HM2 . 21018 1
31 . 1 1 5 5 TRM HM3 H 1 7.841 0.002 . 1 . . . . 4 TRM HM3 . 21018 1
32 . 1 1 5 5 TRM HB3 H 1 3.101 0.037 . 2 . . . . 4 TRM HB3 . 21018 1
33 . 1 1 5 5 TRM HD1 H 1 7.04 0 . 1 . . . . 4 TRM HD1 . 21018 1
34 . 1 1 5 5 TRM HB2 H 1 3.097 0.04 . 2 . . . . 4 TRM HB2 . 21018 1
35 . 1 1 5 5 TRM H H 1 8.41 0.001 . 1 . . . . 4 TRM HN . 21018 1
36 . 1 1 5 5 TRM HZ2 H 1 7.266 . . 1 . . . . 4 TRM HZ2 . 21018 1
37 . 1 1 5 5 TRM HZ3 H 1 6.864 0.002 . 1 . . . . 4 TRM HZ3 . 21018 1
38 . 1 1 5 5 TRM HE3 H 1 7.285 . . 1 . . . . 4 TRM HE3 . 21018 1
39 . 1 1 5 5 TRM HH2 H 1 6.92 0.003 . 1 . . . . 4 TRM HH2 . 21018 1
40 . 1 1 6 6 GLN HE22 H 1 7.144 0.001 . 1 . . . . 5 GLN HE22 . 21018 1
41 . 1 1 6 6 GLN HE21 H 1 6.571 0.003 . 1 . . . . 5 GLN HE21 . 21018 1
42 . 1 1 6 6 GLN HA H 1 4.305 0.002 . 1 . . . . 5 GLN HA . 21018 1
43 . 1 1 6 6 GLN H H 1 8.326 0.001 . 1 . . . . 5 GLN HN . 21018 1
44 . 1 1 6 6 GLN HB3 H 1 1.773 0.001 . 2 . . . . 5 GLN HB3 . 21018 1
45 . 1 1 6 6 GLN HG3 H 1 2.131 0.003 . 2 . . . . 5 GLN HG3 . 21018 1
46 . 1 1 6 6 GLN HG2 H 1 2.063 0.002 . 2 . . . . 5 GLN HG2 . 21018 1
47 . 1 1 6 6 GLN HB2 H 1 1.773 0.001 . 2 . . . . 5 GLN HB2 . 21018 1
48 . 1 1 7 7 ASP H H 1 8.448 0.002 . 1 . . . . 6 ASP HN . 21018 1
49 . 1 1 7 7 ASP HA H 1 4.639 0.001 . 1 . . . . 6 ASP HA . 21018 1
50 . 1 1 7 7 ASP HB2 H 1 2.698 0.002 . 1 . . . . 6 ASP HB2 . 21018 1
51 . 1 1 7 7 ASP HB3 H 1 2.698 0.002 . 1 . . . . 6 ASP HB3 . 21018 1
52 . 1 1 8 8 TRP H H 1 7.569 0.002 . 1 . . . . 7 TRP HN . 21018 1
53 . 1 1 8 8 TRP HA H 1 5.189 0.002 . 1 . . . . 7 TRP HA . 21018 1
54 . 1 1 8 8 TRP HE1 H 1 10.181 0.001 . 1 . . . . 7 TRP HE1 . 21018 1
55 . 1 1 8 8 TRP HD1 H 1 7.266 0.002 . 1 . . . . 7 TRP HD1 . 21018 1
56 . 1 1 8 8 TRP HE3 H 1 7.51 0.003 . 1 . . . . 7 TRP HE3 . 21018 1
57 . 1 1 8 8 TRP HB3 H 1 3.252 0.01 . 1 . . . . 7 TRP HB3 . 21018 1
58 . 1 1 8 8 TRP HB2 H 1 3.252 0.01 . 1 . . . . 7 TRP HB2 . 21018 1
59 . 1 1 8 8 TRP HZ3 H 1 7.156 0.003 . 1 . . . . 7 TRP HZ3 . 21018 1
60 . 1 1 8 8 TRP HZ2 H 1 7.455 0 . 1 . . . . 7 TRP HZ2 . 21018 1
61 . 1 1 8 8 TRP HH2 H 1 7.219 0.002 . 1 . . . . 7 TRP HH2 . 21018 1
62 . 1 1 9 9 SAR HA3 H 1 3.582 0.01 . 1 . . . . 8 SAR HA3 . 21018 1
63 . 1 1 9 9 SAR HA2 H 1 3.582 0.01 . 1 . . . . 8 SAR HA2 . 21018 1
64 . 1 1 9 9 SAR HN1 H 1 4.232 0.002 . 1 . . . . 8 SAR HN1 . 21018 1
65 . 1 1 9 9 SAR HN2 H 1 4.232 0.002 . 1 . . . . 8 SAR HN2 . 21018 1
66 . 1 1 9 9 SAR HN3 H 1 4.232 0.002 . 1 . . . . 8 SAR HN3 . 21018 1
67 . 1 1 10 10 ALA HA H 1 4.192 0.003 . 1 . . . . 9 ALA HA . 21018 1
68 . 1 1 10 10 ALA H H 1 8.229 0.001 . 1 . . . . 9 ALA HN . 21018 1
69 . 1 1 10 10 ALA HB1 H 1 1.252 0 . 1 . . . . 9 ALA HB1 . 21018 1
70 . 1 1 10 10 ALA HB2 H 1 1.252 0 . 1 . . . . 9 ALA HB2 . 21018 1
71 . 1 1 10 10 ALA HB3 H 1 1.252 0 . 1 . . . . 9 ALA HB3 . 21018 1
72 . 1 1 11 11 HIS H H 1 8.383 0.002 . 1 . . . . 10 HIS HN . 21018 1
73 . 1 1 11 11 HIS HA H 1 4.432 0.028 . 1 . . . . 10 HIS HA . 21018 1
74 . 1 1 11 11 HIS HB3 H 1 2.573 0.002 . 2 . . . . 10 HIS HB3 . 21018 1
75 . 1 1 11 11 HIS HB2 H 1 2.699 0.001 . 2 . . . . 10 HIS HB2 . 21018 1
76 . 1 1 11 11 HIS HD2 H 1 7.292 0.001 . 1 . . . . 10 HIS HD2 . 21018 1
77 . 1 1 12 12 ARG HH11 H 1 6.265 0.081 . 1 . . . . 11 ARG HH11 . 21018 1
78 . 1 1 12 12 ARG HH12 H 1 6.725 0.048 . 1 . . . . 11 ARG HH12 . 21018 1
79 . 1 1 12 12 ARG H H 1 8.018 0.002 . 1 . . . . 11 ARG HN . 21018 1
80 . 1 1 12 12 ARG HA H 1 4.502 0.002 . 1 . . . . 11 ARG HA . 21018 1
81 . 1 1 12 12 ARG HG3 H 1 1.423 0.003 . 2 . . . . 11 ARG HG3 . 21018 1
82 . 1 1 12 12 ARG HG2 H 1 1.475 0.002 . 2 . . . . 11 ARG HG2 . 21018 1
83 . 1 1 12 12 ARG HB3 H 1 1.701 0.001 . 2 . . . . 11 ARG HB3 . 21018 1
84 . 1 1 12 12 ARG HB2 H 1 1.628 0.003 . 2 . . . . 11 ARG HB2 . 21018 1
85 . 1 1 12 12 ARG HD3 H 1 3.039 0.003 . 1 . . . . 11 ARG HD3 . 21018 1
86 . 1 1 12 12 ARG HE H 1 7.12 0.002 . 1 . . . . 11 ARG HE . 21018 1
87 . 1 1 12 12 ARG HD2 H 1 3.039 0.003 . 1 . . . . 11 ARG HD2 . 21018 1
88 . 1 1 13 13 CYS HA H 1 4.378 0.003 . 1 . . . . 12 CYS HA . 21018 1
89 . 1 1 13 13 CYS H H 1 8.464 0.002 . 1 . . . . 12 CYS HN . 21018 1
90 . 1 1 13 13 CYS HB3 H 1 2.69 0.001 . 1 . . . . 12 CYS HB3 . 21018 1
91 . 1 1 13 13 CYS HB2 H 1 2.69 0.001 . 1 . . . . 12 CYS HB2 . 21018 1
92 . 1 1 14 14 ILE HA H 1 4.146 0.003 . 1 . . . . 13 ILE HA . 21018 1
93 . 1 1 14 14 ILE H H 1 8.439 0.001 . 1 . . . . 13 ILE HN . 21018 1
94 . 1 1 14 14 ILE HD11 H 1 0.802 0.002 . 1 . . . . 13 ILE HD11 . 21018 1
95 . 1 1 14 14 ILE HD12 H 1 0.802 0.002 . 1 . . . . 13 ILE HD12 . 21018 1
96 . 1 1 14 14 ILE HD13 H 1 0.802 0.002 . 1 . . . . 13 ILE HD13 . 21018 1
97 . 1 1 14 14 ILE HG21 H 1 0.894 0.004 . 1 . . . . 13 ILE HG21 . 21018 1
98 . 1 1 14 14 ILE HG22 H 1 0.894 0.004 . 1 . . . . 13 ILE HG22 . 21018 1
99 . 1 1 14 14 ILE HG23 H 1 0.894 0.004 . 1 . . . . 13 ILE HG23 . 21018 1
100 . 1 1 14 14 ILE HG13 H 1 1.131 0.004 . 2 . . . . 13 ILE HG13 . 21018 1
101 . 1 1 14 14 ILE HG12 H 1 1.429 0.004 . 2 . . . . 13 ILE HG12 . 21018 1
102 . 1 1 14 14 ILE HB H 1 1.813 0.002 . 1 . . . . 13 ILE HB . 21018 1
stop_
save_