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 30073
_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 $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
1 1H . . . 30073 1
2 '2D 1H-1H NOESY' . . . 30073 1
3 '2D 1H-13C HSQC aliphatic' . . . 30073 1
4 '2D 1H-13C HSQC aromatic' . . . 30073 1
5 '2D 1H-1H TOCSY' . . . 30073 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
1 $software_1 . . 30073 1
2 $software_2 . . 30073 1
3 $software_3 . . 30073 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 GLY H H 1 9.386 0.006 . 1 . . . A 1 GLY H . 30073 1
2 . 1 1 1 1 GLY HA2 H 1 3.647 0.003 . 2 . . . A 1 GLY HA2 . 30073 1
3 . 1 1 1 1 GLY HA3 H 1 4.505 0.001 . 2 . . . A 1 GLY HA3 . 30073 1
4 . 1 1 1 1 GLY CA C 13 42.6 . . 1 . . . A 1 GLY CA . 30073 1
5 . 1 1 2 2 ARG H H 1 9.236 0.003 . 1 . . . A 2 ARG H . 30073 1
6 . 1 1 2 2 ARG HA H 1 4.855 . . 1 . . . A 2 ARG HA . 30073 1
7 . 1 1 2 2 ARG HB2 H 1 1.87 . . 2 . . . A 2 ARG HB2 . 30073 1
8 . 1 1 2 2 ARG HB3 H 1 1.87 . . 2 . . . A 2 ARG HB3 . 30073 1
9 . 1 1 2 2 ARG HG2 H 1 1.692 . . 2 . . . A 2 ARG HG2 . 30073 1
10 . 1 1 2 2 ARG HG3 H 1 1.805 . . 2 . . . A 2 ARG HG3 . 30073 1
11 . 1 1 2 2 ARG HD2 H 1 3.167 . . 2 . . . A 2 ARG HD2 . 30073 1
12 . 1 1 2 2 ARG HD3 H 1 3.277 0.002 . 2 . . . A 2 ARG HD3 . 30073 1
13 . 1 1 2 2 ARG CA C 13 49.6 . . 1 . . . A 2 ARG CA . 30073 1
14 . 1 1 3 3 PRO HA H 1 4.369 0.002 . 1 . . . A 3 PRO HA . 30073 1
15 . 1 1 3 3 PRO HB2 H 1 1.97 . . 2 . . . A 3 PRO HB2 . 30073 1
16 . 1 1 3 3 PRO HB3 H 1 2.104 0.001 . 2 . . . A 3 PRO HB3 . 30073 1
17 . 1 1 3 3 PRO HG2 H 1 1.985 0.001 . 2 . . . A 3 PRO HG2 . 30073 1
18 . 1 1 3 3 PRO HG3 H 1 1.985 0.001 . 2 . . . A 3 PRO HG3 . 30073 1
19 . 1 1 3 3 PRO HD2 H 1 3.492 0.002 . 2 . . . A 3 PRO HD2 . 30073 1
20 . 1 1 3 3 PRO HD3 H 1 3.635 0.004 . 2 . . . A 3 PRO HD3 . 30073 1
21 . 1 1 3 3 PRO CA C 13 61.2 . . 1 . . . A 3 PRO CA . 30073 1
22 . 1 1 4 4 ASN H H 1 8.22 . . 1 . . . A 4 ASN H . 30073 1
23 . 1 1 4 4 ASN HA H 1 4.129 0.006 . 1 . . . A 4 ASN HA . 30073 1
24 . 1 1 4 4 ASN HB2 H 1 2.689 . . 2 . . . A 4 ASN HB2 . 30073 1
25 . 1 1 4 4 ASN HB3 H 1 2.689 . . 2 . . . A 4 ASN HB3 . 30073 1
26 . 1 1 4 4 ASN HD21 H 1 7.522 0.002 . 2 . . . A 4 ASN HD21 . 30073 1
27 . 1 1 4 4 ASN HD22 H 1 6.855 0.001 . 2 . . . A 4 ASN HD22 . 30073 1
28 . 1 1 4 4 ASN CA C 13 53.6 . . 1 . . . A 4 ASN CA . 30073 1
29 . 1 1 5 5 TRP H H 1 8.252 . . 1 . . . A 5 TRP H . 30073 1
30 . 1 1 5 5 TRP HA H 1 5.138 0.001 . 1 . . . A 5 TRP HA . 30073 1
31 . 1 1 5 5 TRP HB2 H 1 3.068 . . 2 . . . A 5 TRP HB2 . 30073 1
32 . 1 1 5 5 TRP HB3 H 1 3.295 0.009 . 2 . . . A 5 TRP HB3 . 30073 1
33 . 1 1 5 5 TRP HD1 H 1 7.306 . . 1 . . . A 5 TRP HD1 . 30073 1
34 . 1 1 5 5 TRP HE1 H 1 10.116 0.001 . 1 . . . A 5 TRP HE1 . 30073 1
35 . 1 1 5 5 TRP HE3 H 1 7.88 . . 1 . . . A 5 TRP HE3 . 30073 1
36 . 1 1 5 5 TRP HZ2 H 1 7.293 0.002 . 1 . . . A 5 TRP HZ2 . 30073 1
37 . 1 1 5 5 TRP HZ3 H 1 6.98 . . 1 . . . A 5 TRP HZ3 . 30073 1
38 . 1 1 5 5 TRP HH2 H 1 7.052 . . 1 . . . A 5 TRP HH2 . 30073 1
39 . 1 1 5 5 TRP CA C 13 54.5 . . 1 . . . A 5 TRP CA . 30073 1
40 . 1 1 6 6 GLY H H 1 8.146 0.008 . 1 . . . A 6 GLY H . 30073 1
41 . 1 1 6 6 GLY HA2 H 1 3.274 0.003 . 2 . . . A 6 GLY HA2 . 30073 1
42 . 1 1 6 6 GLY HA3 H 1 3.888 0.008 . 2 . . . A 6 GLY HA3 . 30073 1
43 . 1 1 6 6 GLY CA C 13 45 . . 1 . . . A 6 GLY CA . 30073 1
44 . 1 1 7 7 PHE H H 1 7.45 0.001 . 1 . . . A 7 PHE H . 30073 1
45 . 1 1 7 7 PHE HA H 1 4.897 0.002 . 1 . . . A 7 PHE HA . 30073 1
46 . 1 1 7 7 PHE HB2 H 1 2.592 0 . 2 . . . A 7 PHE HB2 . 30073 1
47 . 1 1 7 7 PHE HB3 H 1 3.632 0.002 . 2 . . . A 7 PHE HB3 . 30073 1
48 . 1 1 7 7 PHE HD1 H 1 7.312 0.003 . 2 . . . A 7 PHE HD1 . 30073 1
49 . 1 1 7 7 PHE HD2 H 1 7.312 0.003 . 2 . . . A 7 PHE HD2 . 30073 1
50 . 1 1 7 7 PHE HE1 H 1 7.393 . . 2 . . . A 7 PHE HE1 . 30073 1
51 . 1 1 7 7 PHE HE2 H 1 7.393 . . 2 . . . A 7 PHE HE2 . 30073 1
52 . 1 1 7 7 PHE HZ H 1 7.31 . . 1 . . . A 7 PHE HZ . 30073 1
53 . 1 1 7 7 PHE CA C 13 54.5 . . 1 . . . A 7 PHE CA . 30073 1
54 . 1 1 8 8 GLU H H 1 8.934 0.003 . 1 . . . A 8 GLU H . 30073 1
55 . 1 1 8 8 GLU HA H 1 4.341 0.001 . 1 . . . A 8 GLU HA . 30073 1
56 . 1 1 8 8 GLU HB2 H 1 2.068 0.004 . 2 . . . A 8 GLU HB2 . 30073 1
57 . 1 1 8 8 GLU HB3 H 1 2.462 0.001 . 2 . . . A 8 GLU HB3 . 30073 1
58 . 1 1 8 8 GLU HG2 H 1 1.963 0.001 . 2 . . . A 8 GLU HG2 . 30073 1
59 . 1 1 8 8 GLU HG3 H 1 2.183 0 . 2 . . . A 8 GLU HG3 . 30073 1
60 . 1 1 8 8 GLU CA C 13 56.3 . . 1 . . . A 8 GLU CA . 30073 1
61 . 1 1 9 9 ASN H H 1 8.204 0.001 . 1 . . . A 9 ASN H . 30073 1
62 . 1 1 9 9 ASN HA H 1 4.137 0.003 . 1 . . . A 9 ASN HA . 30073 1
63 . 1 1 9 9 ASN HB2 H 1 3.224 0.005 . 2 . . . A 9 ASN HB2 . 30073 1
64 . 1 1 9 9 ASN HB3 H 1 3.304 0.019 . 2 . . . A 9 ASN HB3 . 30073 1
65 . 1 1 9 9 ASN HD21 H 1 7.87 0.004 . 2 . . . A 9 ASN HD21 . 30073 1
66 . 1 1 9 9 ASN HD22 H 1 6.946 0.004 . 2 . . . A 9 ASN HD22 . 30073 1
67 . 1 1 9 9 ASN CA C 13 51.1 . . 1 . . . A 9 ASN CA . 30073 1
68 . 1 1 10 10 ASP H H 1 7.955 0.005 . 1 . . . A 10 ASP H . 30073 1
69 . 1 1 10 10 ASP HA H 1 4.466 0.002 . 1 . . . A 10 ASP HA . 30073 1
70 . 1 1 10 10 ASP HB2 H 1 2.327 0 . 2 . . . A 10 ASP HB2 . 30073 1
71 . 1 1 10 10 ASP HB3 H 1 3.102 0 . 2 . . . A 10 ASP HB3 . 30073 1
72 . 1 1 10 10 ASP CA C 13 49.7 . . 1 . . . A 10 ASP CA . 30073 1
73 . 1 1 11 11 TRP H H 1 7.97 0 . 1 . . . A 11 TRP H . 30073 1
74 . 1 1 11 11 TRP HA H 1 4.694 0 . 1 . . . A 11 TRP HA . 30073 1
75 . 1 1 11 11 TRP HB2 H 1 3.872 0.005 . 2 . . . A 11 TRP HB2 . 30073 1
76 . 1 1 11 11 TRP HB3 H 1 3.872 0.005 . 2 . . . A 11 TRP HB3 . 30073 1
77 . 1 1 11 11 TRP HD1 H 1 7.109 . . 1 . . . A 11 TRP HD1 . 30073 1
78 . 1 1 11 11 TRP HE1 H 1 10.058 0.001 . 1 . . . A 11 TRP HE1 . 30073 1
79 . 1 1 11 11 TRP HE3 H 1 7.808 0.001 . 1 . . . A 11 TRP HE3 . 30073 1
80 . 1 1 11 11 TRP HZ2 H 1 7.383 0.003 . 1 . . . A 11 TRP HZ2 . 30073 1
81 . 1 1 11 11 TRP HZ3 H 1 7.02 . . 1 . . . A 11 TRP HZ3 . 30073 1
82 . 1 1 11 11 TRP HH2 H 1 7.135 . . 1 . . . A 11 TRP HH2 . 30073 1
83 . 1 1 11 11 TRP CA C 13 56.3 . . 1 . . . A 11 TRP CA . 30073 1
84 . 1 1 12 12 SER H H 1 7.428 0 . 1 . . . A 12 SER H . 30073 1
85 . 1 1 12 12 SER HA H 1 5.407 0.001 . 1 . . . A 12 SER HA . 30073 1
86 . 1 1 12 12 SER HB2 H 1 3.644 . . 2 . . . A 12 SER HB2 . 30073 1
87 . 1 1 12 12 SER HB3 H 1 4.966 0.002 . 2 . . . A 12 SER HB3 . 30073 1
88 . 1 1 12 12 SER CA C 13 56 . . 1 . . . A 12 SER CA . 30073 1
89 . 1 1 13 13 CYS H H 1 8.134 0.002 . 1 . . . A 13 CYS H . 30073 1
90 . 1 1 13 13 CYS HA H 1 4.282 0.003 . 1 . . . A 13 CYS HA . 30073 1
91 . 1 1 13 13 CYS HB2 H 1 2.89 0.001 . 2 . . . A 13 CYS HB2 . 30073 1
92 . 1 1 13 13 CYS HB3 H 1 3.025 0.004 . 2 . . . A 13 CYS HB3 . 30073 1
93 . 1 1 13 13 CYS CA C 13 54.5 . . 1 . . . A 13 CYS CA . 30073 1
94 . 1 1 14 14 VAL H H 1 8.506 0.001 . 1 . . . A 14 VAL H . 30073 1
95 . 1 1 14 14 VAL HA H 1 3.932 0.002 . 1 . . . A 14 VAL HA . 30073 1
96 . 1 1 14 14 VAL HB H 1 2.245 0.002 . 1 . . . A 14 VAL HB . 30073 1
97 . 1 1 14 14 VAL HG11 H 1 1.069 0.001 . 2 . . . A 14 VAL HG11 . 30073 1
98 . 1 1 14 14 VAL HG12 H 1 1.069 0.001 . 2 . . . A 14 VAL HG12 . 30073 1
99 . 1 1 14 14 VAL HG13 H 1 1.069 0.001 . 2 . . . A 14 VAL HG13 . 30073 1
100 . 1 1 14 14 VAL HG21 H 1 1.004 0.003 . 2 . . . A 14 VAL HG21 . 30073 1
101 . 1 1 14 14 VAL HG22 H 1 1.004 0.003 . 2 . . . A 14 VAL HG22 . 30073 1
102 . 1 1 14 14 VAL HG23 H 1 1.004 0.003 . 2 . . . A 14 VAL HG23 . 30073 1
103 . 1 1 14 14 VAL CA C 13 60.5 . . 1 . . . A 14 VAL CA . 30073 1
104 . 1 1 15 15 ARG HA H 1 3.949 0 . 1 . . . A 15 ARG HA . 30073 1
105 . 1 1 15 15 ARG HB2 H 1 2.026 0.002 . 2 . . . A 15 ARG HB2 . 30073 1
106 . 1 1 15 15 ARG HB3 H 1 2.111 0.001 . 2 . . . A 15 ARG HB3 . 30073 1
107 . 1 1 15 15 ARG HG2 H 1 1.647 . . 2 . . . A 15 ARG HG2 . 30073 1
108 . 1 1 15 15 ARG HG3 H 1 1.689 . . 2 . . . A 15 ARG HG3 . 30073 1
109 . 1 1 15 15 ARG HD2 H 1 3.245 . . 2 . . . A 15 ARG HD2 . 30073 1
110 . 1 1 15 15 ARG HD3 H 1 3.245 . . 2 . . . A 15 ARG HD3 . 30073 1
111 . 1 1 15 15 ARG CA C 13 58.7 . . 1 . . . A 15 ARG CA . 30073 1
112 . 1 1 16 16 VAL HA H 1 4.165 0.001 . 1 . . . A 16 VAL HA . 30073 1
113 . 1 1 16 16 VAL HB H 1 2.41 0 . 1 . . . A 16 VAL HB . 30073 1
114 . 1 1 16 16 VAL HG11 H 1 1.038 0.004 . 2 . . . A 16 VAL HG11 . 30073 1
115 . 1 1 16 16 VAL HG12 H 1 1.038 0.004 . 2 . . . A 16 VAL HG12 . 30073 1
116 . 1 1 16 16 VAL HG13 H 1 1.038 0.004 . 2 . . . A 16 VAL HG13 . 30073 1
117 . 1 1 16 16 VAL HG21 H 1 1.013 0.002 . 2 . . . A 16 VAL HG21 . 30073 1
118 . 1 1 16 16 VAL HG22 H 1 1.013 0.002 . 2 . . . A 16 VAL HG22 . 30073 1
119 . 1 1 16 16 VAL HG23 H 1 1.013 0.002 . 2 . . . A 16 VAL HG23 . 30073 1
120 . 1 1 16 16 VAL CA C 13 60.3 . . 1 . . . A 16 VAL CA . 30073 1
121 . 1 1 17 17 CYS H H 1 7.244 0.002 . 1 . . . A 17 CYS H . 30073 1
122 . 1 1 17 17 CYS HA H 1 4.597 . . 1 . . . A 17 CYS HA . 30073 1
123 . 1 1 17 17 CYS HB2 H 1 2.837 0.001 . 2 . . . A 17 CYS HB2 . 30073 1
124 . 1 1 17 17 CYS HB3 H 1 3.468 0.001 . 2 . . . A 17 CYS HB3 . 30073 1
125 . 1 1 17 17 CYS CA C 13 55 . . 1 . . . A 17 CYS CA . 30073 1
stop_
save_