Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51264
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_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
2 '2D 1H-1H TOCSY' . . . 51264 1
3 '2D 1H-1H NOESY' . . . 51264 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 $software_3 . . 51264 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 1 1 ASN HA H 1 4.364 0.002 . 1 . . . . . 1 ASN HA . 51264 1
2 . 1 . 1 1 1 ASN HB2 H 1 3.274 0.006 . . . . . . . 1 ASN HB2 . 51264 1
3 . 1 . 1 1 1 ASN HB3 H 1 3.124 0.000 . . . . . . . 1 ASN HB3 . 51264 1
4 . 1 . 1 1 1 ASN HD21 H 1 7.823 0.001 . . . . . . . 1 ASN HD21 . 51264 1
5 . 1 . 1 1 1 ASN HD22 H 1 7.232 0.000 . . . . . . . 1 ASN HD22 . 51264 1
6 . 1 . 1 2 2 CYS H H 1 9.089 0.002 . 1 . . . . . 2 CYS H . 51264 1
7 . 1 . 1 2 2 CYS HA H 1 4.529 0.003 . 1 . . . . . 2 CYS HA . 51264 1
8 . 1 . 1 2 2 CYS HB2 H 1 3.235 0.004 . . . . . . . 2 CYS HB2 . 51264 1
9 . 1 . 1 2 2 CYS HB3 H 1 3.097 0.004 . . . . . . . 2 CYS HB3 . 51264 1
10 . 1 . 1 3 3 CYS H H 1 8.333 0.002 . 1 . . . . . 3 CYS H . 51264 1
11 . 1 . 1 3 3 CYS HA H 1 4.377 0.004 . 1 . . . . . 3 CYS HA . 51264 1
12 . 1 . 1 3 3 CYS HB2 H 1 3.230 0.002 . . . . . . . 3 CYS HB2 . 51264 1
13 . 1 . 1 3 3 CYS HB3 H 1 3.060 0.004 . . . . . . . 3 CYS HB3 . 51264 1
14 . 1 . 1 4 4 MET H H 1 7.599 0.003 . 1 . . . . . 4 MET H . 51264 1
15 . 1 . 1 4 4 MET HA H 1 4.009 0.005 . 1 . . . . . 4 MET HA . 51264 1
16 . 1 . 1 4 4 MET HB2 H 1 1.772 0.004 . . . . . . . 4 MET HB2 . 51264 1
17 . 1 . 1 4 4 MET HB3 H 1 1.635 0.003 . . . . . . . 4 MET HB3 . 51264 1
18 . 1 . 1 4 4 MET HG2 H 1 2.124 0.001 . . . . . . . 4 MET HG2 . 51264 1
19 . 1 . 1 4 4 MET HG3 H 1 2.124 0.001 . . . . . . . 4 MET HG3 . 51264 1
20 . 1 . 1 5 5 PHE H H 1 7.174 0.003 . 1 . . . . . 5 PHE H . 51264 1
21 . 1 . 1 5 5 PHE HA H 1 4.697 0.003 . 1 . . . . . 5 PHE HA . 51264 1
22 . 1 . 1 5 5 PHE HB2 H 1 3.473 0.005 . . . . . . . 5 PHE HB2 . 51264 1
23 . 1 . 1 5 5 PHE HB3 H 1 2.834 0.003 . . . . . . . 5 PHE HB3 . 51264 1
24 . 1 . 1 5 5 PHE HD1 H 1 7.233 0.004 . . . . . . . 5 PHE HD1 . 51264 1
25 . 1 . 1 5 5 PHE HD2 H 1 7.233 0.004 . . . . . . . 5 PHE HD2 . 51264 1
26 . 1 . 1 5 5 PHE HE1 H 1 7.325 0.000 . . . . . . . 5 PHE HE1 . 51264 1
27 . 1 . 1 5 5 PHE HE2 H 1 7.325 0.000 . . . . . . . 5 PHE HE2 . 51264 1
28 . 1 . 1 6 6 HIS H H 1 7.853 0.002 . 1 . . . . . 6 HIS H . 51264 1
29 . 1 . 1 6 6 HIS HA H 1 4.588 0.002 . 1 . . . . . 6 HIS HA . 51264 1
30 . 1 . 1 6 6 HIS HB2 H 1 3.579 0.001 . . . . . . . 6 HIS HB2 . 51264 1
31 . 1 . 1 6 6 HIS HB3 H 1 3.484 0.003 . . . . . . . 6 HIS HB3 . 51264 1
32 . 1 . 1 6 6 HIS HD2 H 1 7.317 0.002 . 1 . . . . . 6 HIS HD2 . 51264 1
33 . 1 . 1 6 6 HIS HE1 H 1 8.600 0.000 . 1 . . . . . 6 HIS HE1 . 51264 1
34 . 1 . 1 7 7 THR H H 1 8.068 0.002 . 1 . . . . . 7 THR H . 51264 1
35 . 1 . 1 7 7 THR HA H 1 4.630 0.004 . 1 . . . . . 7 THR HA . 51264 1
36 . 1 . 1 7 7 THR HB H 1 4.604 0.002 . 1 . . . . . 7 THR HB . 51264 1
37 . 1 . 1 7 7 THR HG21 H 1 1.161 0.002 . 1 . . . . . 7 THR MG . 51264 1
38 . 1 . 1 7 7 THR HG22 H 1 1.161 0.002 . 1 . . . . . 7 THR MG . 51264 1
39 . 1 . 1 7 7 THR HG23 H 1 1.161 0.002 . 1 . . . . . 7 THR MG . 51264 1
40 . 1 . 1 8 8 CYS H H 1 8.313 0.001 . 1 . . . . . 8 CYS H . 51264 1
41 . 1 . 1 8 8 CYS HA H 1 4.746 0.003 . 1 . . . . . 8 CYS HA . 51264 1
42 . 1 . 1 8 8 CYS HB2 H 1 2.968 0.004 . . . . . . . 8 CYS HB2 . 51264 1
43 . 1 . 1 8 8 CYS HB3 H 1 2.968 0.004 . . . . . . . 8 CYS HB3 . 51264 1
44 . 1 . 1 9 9 PRO HA H 1 4.570 0.001 . 1 . . . . . 9 PRO HA . 51264 1
45 . 1 . 1 9 9 PRO HB2 H 1 2.420 0.002 . . . . . . . 9 PRO HB2 . 51264 1
46 . 1 . 1 9 9 PRO HB3 H 1 1.995 0.001 . . . . . . . 9 PRO HB3 . 51264 1
47 . 1 . 1 9 9 PRO HG2 H 1 2.058 0.005 . . . . . . . 9 PRO HG2 . 51264 1
48 . 1 . 1 9 9 PRO HG3 H 1 2.058 0.005 . . . . . . . 9 PRO HG3 . 51264 1
49 . 1 . 1 9 9 PRO HD2 H 1 3.850 0.004 . . . . . . . 9 PRO HD2 . 51264 1
50 . 1 . 1 9 9 PRO HD3 H 1 3.305 0.003 . . . . . . . 9 PRO HD3 . 51264 1
51 . 1 . 1 10 10 ILE H H 1 8.491 0.003 . 1 . . . . . 10 ILE H . 51264 1
52 . 1 . 1 10 10 ILE HA H 1 3.988 0.003 . 1 . . . . . 10 ILE HA . 51264 1
53 . 1 . 1 10 10 ILE HB H 1 1.866 0.002 . 1 . . . . . 10 ILE HB . 51264 1
54 . 1 . 1 10 10 ILE HG12 H 1 1.495 0.003 . . . . . . . 10 ILE HG12 . 51264 1
55 . 1 . 1 10 10 ILE HG13 H 1 1.262 0.001 . . . . . . . 10 ILE HG13 . 51264 1
56 . 1 . 1 10 10 ILE HG21 H 1 0.920 0.002 . 1 . . . . . 10 ILE MG . 51264 1
57 . 1 . 1 10 10 ILE HG22 H 1 0.920 0.002 . 1 . . . . . 10 ILE MG . 51264 1
58 . 1 . 1 10 10 ILE HG23 H 1 0.920 0.002 . 1 . . . . . 10 ILE MG . 51264 1
59 . 1 . 1 10 10 ILE HD11 H 1 0.895 0.002 . 1 . . . . . 10 ILE MD . 51264 1
60 . 1 . 1 10 10 ILE HD12 H 1 0.895 0.002 . 1 . . . . . 10 ILE MD . 51264 1
61 . 1 . 1 10 10 ILE HD13 H 1 0.895 0.002 . 1 . . . . . 10 ILE MD . 51264 1
62 . 1 . 1 11 11 ASP H H 1 8.563 0.003 . 1 . . . . . 11 ASP H . 51264 1
63 . 1 . 1 11 11 ASP HA H 1 4.535 0.002 . 1 . . . . . 11 ASP HA . 51264 1
64 . 1 . 1 11 11 ASP HB2 H 1 2.919 0.004 . . . . . . . 11 ASP HB2 . 51264 1
65 . 1 . 1 11 11 ASP HB3 H 1 2.919 0.004 . . . . . . . 11 ASP HB3 . 51264 1
66 . 1 . 1 12 12 TYR H H 1 7.749 0.003 . 1 . . . . . 12 TYR H . 51264 1
67 . 1 . 1 12 12 TYR HA H 1 4.435 0.004 . 1 . . . . . 12 TYR HA . 51264 1
68 . 1 . 1 12 12 TYR HB2 H 1 3.087 0.003 . . . . . . . 12 TYR HB2 . 51264 1
69 . 1 . 1 12 12 TYR HB3 H 1 3.087 0.003 . . . . . . . 12 TYR HB3 . 51264 1
70 . 1 . 1 12 12 TYR HD1 H 1 7.099 0.003 . . . . . . . 12 TYR HD1 . 51264 1
71 . 1 . 1 12 12 TYR HD2 H 1 7.099 0.003 . . . . . . . 12 TYR HD2 . 51264 1
72 . 1 . 1 12 12 TYR HE1 H 1 6.846 0.000 . . . . . . . 12 TYR HE1 . 51264 1
73 . 1 . 1 12 12 TYR HE2 H 1 6.846 0.000 . . . . . . . 12 TYR HE2 . 51264 1
74 . 1 . 1 13 13 SER H H 1 8.442 0.002 . 1 . . . . . 13 SER H . 51264 1
75 . 1 . 1 13 13 SER HA H 1 4.292 0.001 . 1 . . . . . 13 SER HA . 51264 1
76 . 1 . 1 13 13 SER HB2 H 1 3.842 0.003 . . . . . . . 13 SER HB2 . 51264 1
77 . 1 . 1 13 13 SER HB3 H 1 3.842 0.003 . . . . . . . 13 SER HB3 . 51264 1
78 . 1 . 1 14 14 ARG H H 1 7.991 0.002 . 1 . . . . . 14 ARG H . 51264 1
79 . 1 . 1 14 14 ARG HA H 1 4.046 0.003 . 1 . . . . . 14 ARG HA . 51264 1
80 . 1 . 1 14 14 ARG HB2 H 1 1.622 0.005 . . . . . . . 14 ARG HB2 . 51264 1
81 . 1 . 1 14 14 ARG HB3 H 1 1.548 0.006 . . . . . . . 14 ARG HB3 . 51264 1
82 . 1 . 1 14 14 ARG HG2 H 1 1.325 0.005 . . . . . . . 14 ARG HG2 . 51264 1
83 . 1 . 1 14 14 ARG HG3 H 1 1.249 0.003 . . . . . . . 14 ARG HG3 . 51264 1
84 . 1 . 1 14 14 ARG HD2 H 1 3.027 0.004 . . . . . . . 14 ARG HD2 . 51264 1
85 . 1 . 1 14 14 ARG HD3 H 1 3.027 0.004 . . . . . . . 14 ARG HD3 . 51264 1
86 . 1 . 1 14 14 ARG HE H 1 7.044 0.002 . 1 . . . . . 14 ARG HE . 51264 1
87 . 1 . 1 15 15 PHE H H 1 7.510 0.003 . 1 . . . . . 15 PHE H . 51264 1
88 . 1 . 1 15 15 PHE HA H 1 4.651 0.001 . 1 . . . . . 15 PHE HA . 51264 1
89 . 1 . 1 15 15 PHE HB2 H 1 3.191 0.003 . . . . . . . 15 PHE HB2 . 51264 1
90 . 1 . 1 15 15 PHE HB3 H 1 2.817 0.003 . . . . . . . 15 PHE HB3 . 51264 1
91 . 1 . 1 15 15 PHE HD1 H 1 7.277 0.004 . . . . . . . 15 PHE HD1 . 51264 1
92 . 1 . 1 15 15 PHE HD2 H 1 7.277 0.004 . . . . . . . 15 PHE HD2 . 51264 1
93 . 1 . 1 15 15 PHE HE1 H 1 7.345 0.000 . . . . . . . 15 PHE HE1 . 51264 1
94 . 1 . 1 15 15 PHE HE2 H 1 7.345 0.000 . . . . . . . 15 PHE HE2 . 51264 1
95 . 1 . 1 15 15 PHE HZ H 1 7.569 0.000 . 1 . . . . . 15 PHE HZ . 51264 1
96 . 1 . 1 16 16 ASN H H 1 8.001 0.003 . 1 . . . . . 16 ASN H . 51264 1
97 . 1 . 1 16 16 ASN HA H 1 4.765 0.003 . 1 . . . . . 16 ASN HA . 51264 1
98 . 1 . 1 16 16 ASN HB2 H 1 2.632 0.002 . . . . . . . 16 ASN HB2 . 51264 1
99 . 1 . 1 16 16 ASN HB3 H 1 2.228 0.003 . . . . . . . 16 ASN HB3 . 51264 1
100 . 1 . 1 16 16 ASN HD21 H 1 7.567 0.001 . . . . . . . 16 ASN HD21 . 51264 1
101 . 1 . 1 16 16 ASN HD22 H 1 6.898 0.003 . . . . . . . 16 ASN HD22 . 51264 1
102 . 1 . 1 17 17 CYS H H 1 8.189 0.002 . 1 . . . . . 17 CYS H . 51264 1
103 . 1 . 1 17 17 CYS HA H 1 4.954 0.002 . 1 . . . . . 17 CYS HA . 51264 1
104 . 1 . 1 17 17 CYS HB2 H 1 3.463 0.003 . . . . . . . 17 CYS HB2 . 51264 1
105 . 1 . 1 17 17 CYS HB3 H 1 2.975 0.003 . . . . . . . 17 CYS HB3 . 51264 1
stop_
save_