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 20001
_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 1H-1H TOCSY' . . . 20001 1
2 '2D 1H-1H NOESY' . . . 20001 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 $SPARKY . . 20001 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.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 TYR HD1 H 1 7.607 0.003 . 1 . . . . . 1 Y HD# . 20001 1
2 . 1 1 1 1 TYR HD2 H 1 7.607 0.003 . 1 . . . . . 1 Y HD# . 20001 1
3 . 1 1 1 1 TYR HE1 H 1 6.934 0.004 . 1 . . . . . 1 Y HE# . 20001 1
4 . 1 1 1 1 TYR HE2 H 1 6.934 0.004 . 1 . . . . . 1 Y HE# . 20001 1
5 . 1 1 3 3 SER H H 1 8.324 0.001 . 1 . . . . . 3 S HN . 20001 1
6 . 1 1 3 3 SER HA H 1 4.706 0.002 . 1 . . . . . 3 S HA . 20001 1
7 . 1 1 3 3 SER HB2 H 1 3.896 0.002 . 2 . . . . . 3 S HB1 . 20001 1
8 . 1 1 3 3 SER HB3 H 1 3.847 0.003 . 2 . . . . . 3 S HB2 . 20001 1
9 . 1 1 4 4 PRO HA H 1 4.484 0.002 . 1 . . . . . 4 P HA . 20001 1
10 . 1 1 4 4 PRO HB2 H 1 2.282 0.004 . 2 . . . . . 4 P HB1 . 20001 1
11 . 1 1 4 4 PRO HB3 H 1 2.028 0.008 . 2 . . . . . 4 P HB2 . 20001 1
12 . 1 1 4 4 PRO HD2 H 1 3.862 0.004 . 2 . . . . . 4 P HD1 . 20001 1
13 . 1 1 4 4 PRO HD3 H 1 3.736 0.005 . 2 . . . . . 4 P HD2 . 20001 1
14 . 1 1 4 4 PRO HG2 H 1 2.037 0.005 . 2 . . . . . 4 P HG1 . 20001 1
15 . 1 1 4 4 PRO HG3 H 1 1.903 0.008 . 2 . . . . . 4 P HG2 . 20001 1
16 . 1 1 5 5 LYS H H 1 8.532 0.004 . 1 . . . . . 5 K HN . 20001 1
17 . 1 1 5 5 LYS HA H 1 4.413 0.003 . 1 . . . . . 5 K HA . 20001 1
18 . 1 1 5 5 LYS HB2 H 1 1.876 0.005 . 2 . . . . . 5 K HB1 . 20001 1
19 . 1 1 5 5 LYS HB3 H 1 1.788 0.007 . 2 . . . . . 5 K HB2 . 20001 1
20 . 1 1 5 5 LYS HD2 H 1 1.691 0.006 . 2 . . . . . 5 K HD# . 20001 1
21 . 1 1 5 5 LYS HD3 H 1 1.691 0.006 . 2 . . . . . 5 K HD# . 20001 1
22 . 1 1 5 5 LYS HE2 H 1 2.987 0.007 . 2 . . . . . 5 K HE# . 20001 1
23 . 1 1 5 5 LYS HE3 H 1 2.987 0.007 . 2 . . . . . 5 K HE# . 20001 1
24 . 1 1 5 5 LYS HG2 H 1 1.468 0.004 . 2 . . . . . 5 K HG1 . 20001 1
25 . 1 1 5 5 LYS HG3 H 1 1.399 0.004 . 2 . . . . . 5 K HG2 . 20001 1
26 . 1 1 6 6 CYS H H 1 8.312 0.005 . 1 . . . . . 6 C HN . 20001 1
27 . 1 1 6 6 CYS HA H 1 5.430 0.003 . 1 . . . . . 6 C HA . 20001 1
28 . 1 1 6 6 CYS HB2 H 1 3.065 0.006 . 2 . . . . . 6 C HB1 . 20001 1
29 . 1 1 6 6 CYS HB3 H 1 2.725 0.001 . 2 . . . . . 6 C HB2 . 20001 1
30 . 1 1 7 7 PHE H H 1 8.798 0.004 . 1 . . . . . 7 F HN . 20001 1
31 . 1 1 7 7 PHE HA H 1 4.616 0.003 . 1 . . . . . 7 F HA . 20001 1
32 . 1 1 7 7 PHE HB2 H 1 2.930 0.005 . 2 . . . . . 7 F HB# . 20001 1
33 . 1 1 7 7 PHE HB3 H 1 2.930 0.005 . 2 . . . . . 7 F HB# . 20001 1
34 . 1 1 7 7 PHE HD1 H 1 6.974 0.006 . 1 . . . . . 7 F HD# . 20001 1
35 . 1 1 7 7 PHE HD2 H 1 6.974 0.006 . 1 . . . . . 7 F HD# . 20001 1
36 . 1 1 7 7 PHE HE1 H 1 7.146 0.002 . 1 . . . . . 7 F HE# . 20001 1
37 . 1 1 7 7 PHE HE2 H 1 7.146 0.002 . 1 . . . . . 7 F HE# . 20001 1
38 . 1 1 8 8 ARG H H 1 8.131 0.004 . 1 . . . . . 8 R HN . 20001 1
39 . 1 1 8 8 ARG HA H 1 4.868 0.002 . 1 . . . . . 8 R HA . 20001 1
40 . 1 1 8 8 ARG HB2 H 1 1.622 0.006 . 2 . . . . . 8 R HB1 . 20001 1
41 . 1 1 8 8 ARG HB3 H 1 1.511 0.006 . 2 . . . . . 8 R HB2 . 20001 1
42 . 1 1 8 8 ARG HD2 H 1 3.111 0.004 . 2 . . . . . 8 R HD1 . 20001 1
43 . 1 1 8 8 ARG HD3 H 1 3.091 0.006 . 2 . . . . . 8 R HD2 . 20001 1
44 . 1 1 8 8 ARG HG2 H 1 1.514 0.003 . 2 . . . . . 8 R HG1 . 20001 1
45 . 1 1 8 8 ARG HG3 H 1 1.381 0.009 . 2 . . . . . 8 R HG2 . 20001 1
46 . 1 1 9 9 TYR H H 1 8.861 0.004 . 1 . . . . . 9 Y HN . 20001 1
47 . 1 1 9 9 TYR HA H 1 4.671 0.004 . 2 . . . . . 9 Y HA . 20001 1
48 . 1 1 9 9 TYR HB2 H 1 3.259 0.009 . 2 . . . . . 9 Y HB1 . 20001 1
49 . 1 1 9 9 TYR HB3 H 1 3.120 0.008 . 2 . . . . . 9 Y HB2 . 20001 1
50 . 1 1 9 9 TYR HD1 H 1 7.291 0.004 . 1 . . . . . 9 Y HD# . 20001 1
51 . 1 1 9 9 TYR HD2 H 1 7.291 0.004 . 1 . . . . . 9 Y HD# . 20001 1
52 . 1 1 9 9 TYR HE1 H 1 6.866 0.005 . 1 . . . . . 9 Y HE# . 20001 1
53 . 1 1 9 9 TYR HE2 H 1 6.866 0.005 . 1 . . . . . 9 Y HE# . 20001 1
54 . 1 1 10 10 PRO HA H 1 4.405 0.005 . 1 . . . . . 10 P HA . 20001 1
55 . 1 1 10 10 PRO HB2 H 1 2.460 0.005 . 2 . . . . . 10 P HB1 . 20001 1
56 . 1 1 10 10 PRO HB3 H 1 2.227 0.005 . 2 . . . . . 10 P HB2 . 20001 1
57 . 1 1 10 10 PRO HD2 H 1 4.048 0.003 . 1 . . . . . 10 P HD# . 20001 1
58 . 1 1 10 10 PRO HD3 H 1 4.048 0.003 . 1 . . . . . 10 P HD# . 20001 1
59 . 1 1 10 10 PRO HG2 H 1 2.126 0.007 . 2 . . . . . 10 P HG1 . 20001 1
60 . 1 1 10 10 PRO HG3 H 1 1.996 0.008 . 2 . . . . . 10 P HG2 . 20001 1
61 . 1 1 11 11 ASN H H 1 7.796 0.004 . 1 . . . . . 11 N HN . 20001 1
62 . 1 1 11 11 ASN HA H 1 4.586 0.002 . 1 . . . . . 11 N HA . 20001 1
63 . 1 1 11 11 ASN HB2 H 1 3.210 0.007 . 2 . . . . . 11 N HB1 . 20001 1
64 . 1 1 11 11 ASN HB3 H 1 2.876 0.004 . 2 . . . . . 11 N HB2 . 20001 1
65 . 1 1 11 11 ASN HD21 H 1 7.412 0.004 . 2 . . . . . 11 N HD21 . 20001 1
66 . 1 1 11 11 ASN HD22 H 1 6.563 0.004 . 2 . . . . . 11 N HD22 . 20001 1
67 . 1 1 12 12 GLY H H 1 8.523 0.004 . 1 . . . . . 12 G HN . 20001 1
68 . 1 1 12 12 GLY HA2 H 1 4.304 0.002 . 2 . . . . . 12 G HA1 . 20001 1
69 . 1 1 12 12 GLY HA3 H 1 3.626 0.001 . 2 . . . . . 12 G HA2 . 20001 1
70 . 1 1 13 13 VAL H H 1 7.542 0.004 . 1 . . . . . 13 V HN . 20001 1
71 . 1 1 13 13 VAL HA H 1 3.864 0.008 . 1 . . . . . 13 V HA . 20001 1
72 . 1 1 13 13 VAL HB H 1 2.146 0.005 . 1 . . . . . 13 V HB . 20001 1
73 . 1 1 13 13 VAL HG11 H 1 0.941 0.005 . 1 . . . . . 13 V HG11 . 20001 1
74 . 1 1 13 13 VAL HG12 H 1 0.941 0.005 . 1 . . . . . 13 V HG11 . 20001 1
75 . 1 1 13 13 VAL HG13 H 1 0.941 0.005 . 1 . . . . . 13 V HG11 . 20001 1
76 . 1 1 13 13 VAL HG21 H 1 0.910 0.007 . 1 . . . . . 13 V HG21 . 20001 1
77 . 1 1 13 13 VAL HG22 H 1 0.910 0.007 . 1 . . . . . 13 V HG21 . 20001 1
78 . 1 1 13 13 VAL HG23 H 1 0.910 0.007 . 1 . . . . . 13 V HG21 . 20001 1
79 . 1 1 14 14 LEU H H 1 8.413 0.004 . 1 . . . . . 14 L HN . 20001 1
80 . 1 1 14 14 LEU HA H 1 4.774 0.001 . 1 . . . . . 14 L HA . 20001 1
81 . 1 1 14 14 LEU HB2 H 1 1.707 0.007 . 2 . . . . . 14 L HB1 . 20001 1
82 . 1 1 14 14 LEU HB3 H 1 1.439 0.006 . 2 . . . . . 14 L HB2 . 20001 1
83 . 1 1 14 14 LEU HD11 H 1 0.814 0.003 . 1 . . . . . 14 L HD11 . 20001 1
84 . 1 1 14 14 LEU HD12 H 1 0.814 0.003 . 1 . . . . . 14 L HD11 . 20001 1
85 . 1 1 14 14 LEU HD13 H 1 0.814 0.003 . 1 . . . . . 14 L HD11 . 20001 1
86 . 1 1 14 14 LEU HD21 H 1 0.765 0.004 . 1 . . . . . 14 L HD21 . 20001 1
87 . 1 1 14 14 LEU HD22 H 1 0.765 0.004 . 1 . . . . . 14 L HD21 . 20001 1
88 . 1 1 14 14 LEU HD23 H 1 0.765 0.004 . 1 . . . . . 14 L HD21 . 20001 1
89 . 1 1 14 14 LEU HG H 1 1.491 0.008 . 1 . . . . . 14 L HG . 20001 1
90 . 1 1 15 15 ALA H H 1 8.929 0.004 . 1 . . . . . 15 A HN . 20001 1
91 . 1 1 15 15 ALA HA H 1 4.683 0.000 . 1 . . . . . 15 A HA . 20001 1
92 . 1 1 15 15 ALA HB1 H 1 1.253 0.003 . 1 . . . . . 15 A HB# . 20001 1
93 . 1 1 15 15 ALA HB2 H 1 1.253 0.003 . 1 . . . . . 15 A HB# . 20001 1
94 . 1 1 15 15 ALA HB3 H 1 1.253 0.003 . 1 . . . . . 15 A HB# . 20001 1
95 . 1 1 16 16 CYS H H 1 8.689 0.005 . 1 . . . . . 16 C HN . 20001 1
96 . 1 1 16 16 CYS HA H 1 5.429 0.006 . 1 . . . . . 16 C HA . 20001 1
97 . 1 1 16 16 CYS HB2 H 1 3.027 0.008 . 2 . . . . . 16 C HB# . 20001 1
98 . 1 1 16 16 CYS HB3 H 1 3.027 0.008 . 2 . . . . . 16 C HB# . 20001 1
99 . 1 1 17 17 THR H H 1 8.320 0.006 . 1 . . . . . 17 T HN . 20001 1
100 . 1 1 17 17 THR HA H 1 4.314 0.003 . 1 . . . . . 17 T HA . 20001 1
101 . 1 1 17 17 THR HB H 1 4.237 0.002 . 1 . . . . . 17 T HB . 20001 1
102 . 1 1 17 17 THR HG21 H 1 1.244 0.004 . 1 . . . . . 17 T HG21 . 20001 1
103 . 1 1 17 17 THR HG22 H 1 1.244 0.004 . 1 . . . . . 17 T HG21 . 20001 1
104 . 1 1 17 17 THR HG23 H 1 1.244 0.004 . 1 . . . . . 17 T HG21 . 20001 1
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save_