Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 36016
_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 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36016 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36016 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 . . 36016 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 CYS HA H 1 4.635 0.001 . 1 . . . A 1 CYS HA . 36016 1
2 . 1 1 1 1 CYS HB2 H 1 3.259 0.005 . . . . . A 1 CYS HB2 . 36016 1
3 . 1 1 1 1 CYS HB3 H 1 3.078 0.010 . . . . . A 1 CYS HB3 . 36016 1
4 . 1 1 2 2 ILE H H 1 8.939 0.001 . 1 . . . A 2 ILE H . 36016 1
5 . 1 1 2 2 ILE HA H 1 4.476 0.005 . 1 . . . A 2 ILE HA . 36016 1
6 . 1 1 2 2 ILE HB H 1 1.887 0.003 . 1 . . . A 2 ILE HB . 36016 1
7 . 1 1 2 2 ILE HG12 H 1 1.043 0.001 . . . . . A 2 ILE HG12 . 36016 1
8 . 1 1 2 2 ILE HG13 H 1 1.043 0.001 . . . . . A 2 ILE HG13 . 36016 1
9 . 1 1 2 2 ILE HG21 H 1 1.043 0.001 . 1 . . . A 2 ILE HG21 . 36016 1
10 . 1 1 2 2 ILE HG22 H 1 1.043 0.001 . 1 . . . A 2 ILE HG22 . 36016 1
11 . 1 1 2 2 ILE HG23 H 1 1.043 0.001 . 1 . . . A 2 ILE HG23 . 36016 1
12 . 1 1 2 2 ILE HD11 H 1 0.882 0.002 . 1 . . . A 2 ILE HD11 . 36016 1
13 . 1 1 2 2 ILE HD12 H 1 0.882 0.002 . 1 . . . A 2 ILE HD12 . 36016 1
14 . 1 1 2 2 ILE HD13 H 1 0.882 0.002 . 1 . . . A 2 ILE HD13 . 36016 1
15 . 1 1 3 3 PRO HA H 1 4.356 0.002 . 1 . . . A 3 PRO HA . 36016 1
16 . 1 1 3 3 PRO HB2 H 1 2.305 0.003 . . . . . A 3 PRO HB2 . 36016 1
17 . 1 1 3 3 PRO HB3 H 1 2.010 0.003 . . . . . A 3 PRO HB3 . 36016 1
18 . 1 1 3 3 PRO HG2 H 1 1.867 0.001 . . . . . A 3 PRO HG2 . 36016 1
19 . 1 1 3 3 PRO HG3 H 1 1.867 0.001 . . . . . A 3 PRO HG3 . 36016 1
20 . 1 1 3 3 PRO HD2 H 1 4.006 0.002 . . . . . A 3 PRO HD2 . 36016 1
21 . 1 1 3 3 PRO HD3 H 1 3.810 0.003 . . . . . A 3 PRO HD3 . 36016 1
22 . 1 1 4 4 ARG H H 1 8.378 0.001 . 1 . . . A 4 ARG H . 36016 1
23 . 1 1 4 4 ARG HA H 1 3.743 0.002 . 1 . . . A 4 ARG HA . 36016 1
24 . 1 1 4 4 ARG HB2 H 1 1.722 0.001 . . . . . A 4 ARG HB2 . 36016 1
25 . 1 1 4 4 ARG HB3 H 1 1.606 0.003 . . . . . A 4 ARG HB3 . 36016 1
26 . 1 1 4 4 ARG HG2 H 1 1.478 0.002 . . . . . A 4 ARG HG2 . 36016 1
27 . 1 1 4 4 ARG HG3 H 1 1.478 0.002 . . . . . A 4 ARG HG3 . 36016 1
28 . 1 1 4 4 ARG HD2 H 1 3.178 0.008 . . . . . A 4 ARG HD2 . 36016 1
29 . 1 1 4 4 ARG HD3 H 1 3.178 0.008 . . . . . A 4 ARG HD3 . 36016 1
30 . 1 1 4 4 ARG HE H 1 7.327 0.001 . 1 . . . A 4 ARG HE . 36016 1
31 . 1 1 5 5 GLY H H 1 9.256 0.001 . 1 . . . A 5 GLY H . 36016 1
32 . 1 1 5 5 GLY HA2 H 1 4.366 0.001 . . . . . A 5 GLY HA2 . 36016 1
33 . 1 1 5 5 GLY HA3 H 1 3.504 0.006 . . . . . A 5 GLY HA3 . 36016 1
34 . 1 1 6 6 GLY H H 1 8.453 0.001 . 1 . . . A 6 GLY H . 36016 1
35 . 1 1 6 6 GLY HA2 H 1 4.157 0.006 . . . . . A 6 GLY HA2 . 36016 1
36 . 1 1 6 6 GLY HA3 H 1 3.414 0.008 . . . . . A 6 GLY HA3 . 36016 1
37 . 1 1 7 7 ILE H H 1 8.107 0.001 . 1 . . . A 7 ILE H . 36016 1
38 . 1 1 7 7 ILE HA H 1 4.446 0.002 . 1 . . . A 7 ILE HA . 36016 1
39 . 1 1 7 7 ILE HB H 1 1.774 0.003 . 1 . . . A 7 ILE HB . 36016 1
40 . 1 1 7 7 ILE HG12 H 1 1.290 0.003 . . . . . A 7 ILE HG12 . 36016 1
41 . 1 1 7 7 ILE HG13 H 1 1.290 0.003 . . . . . A 7 ILE HG13 . 36016 1
42 . 1 1 7 7 ILE HG21 H 1 1.000 0.001 . 1 . . . A 7 ILE HG21 . 36016 1
43 . 1 1 7 7 ILE HG22 H 1 1.000 0.001 . 1 . . . A 7 ILE HG22 . 36016 1
44 . 1 1 7 7 ILE HG23 H 1 1.000 0.001 . 1 . . . A 7 ILE HG23 . 36016 1
45 . 1 1 7 7 ILE HD11 H 1 0.905 0.005 . 1 . . . A 7 ILE HD11 . 36016 1
46 . 1 1 7 7 ILE HD12 H 1 0.905 0.005 . 1 . . . A 7 ILE HD12 . 36016 1
47 . 1 1 7 7 ILE HD13 H 1 0.905 0.005 . 1 . . . A 7 ILE HD13 . 36016 1
48 . 1 1 8 8 CYS H H 1 8.396 0.002 . 1 . . . A 8 CYS H . 36016 1
49 . 1 1 8 8 CYS HA H 1 4.863 0.003 . 1 . . . A 8 CYS HA . 36016 1
50 . 1 1 8 8 CYS HB2 H 1 3.182 0.008 . . . . . A 8 CYS HB2 . 36016 1
51 . 1 1 8 8 CYS HB3 H 1 2.957 0.005 . . . . . A 8 CYS HB3 . 36016 1
52 . 1 1 9 9 LEU H H 1 8.160 0.000 . 1 . . . A 9 LEU H . 36016 1
53 . 1 1 9 9 LEU HA H 1 4.453 0.000 . 1 . . . A 9 LEU HA . 36016 1
54 . 1 1 9 9 LEU HB2 H 1 1.663 0.000 . . . . . A 9 LEU HB2 . 36016 1
55 . 1 1 9 9 LEU HB3 H 1 1.663 0.000 . . . . . A 9 LEU HB3 . 36016 1
56 . 1 1 9 9 LEU HG H 1 1.572 0.000 . 1 . . . A 9 LEU HG . 36016 1
57 . 1 1 10 10 VAL H H 1 8.284 0.001 . 1 . . . A 10 VAL H . 36016 1
58 . 1 1 10 10 VAL HA H 1 3.728 0.001 . 1 . . . A 10 VAL HA . 36016 1
59 . 1 1 10 10 VAL HB H 1 2.098 0.001 . 1 . . . A 10 VAL HB . 36016 1
60 . 1 1 10 10 VAL HG11 H 1 0.926 0.006 . . . . . A 10 VAL HG11 . 36016 1
61 . 1 1 10 10 VAL HG12 H 1 0.926 0.006 . . . . . A 10 VAL HG12 . 36016 1
62 . 1 1 10 10 VAL HG13 H 1 0.926 0.006 . . . . . A 10 VAL HG13 . 36016 1
63 . 1 1 10 10 VAL HG21 H 1 0.926 0.006 . . . . . A 10 VAL HG21 . 36016 1
64 . 1 1 10 10 VAL HG22 H 1 0.926 0.006 . . . . . A 10 VAL HG22 . 36016 1
65 . 1 1 10 10 VAL HG23 H 1 0.926 0.006 . . . . . A 10 VAL HG23 . 36016 1
66 . 1 1 11 11 ALA H H 1 8.206 0.002 . 1 . . . A 11 ALA H . 36016 1
67 . 1 1 11 11 ALA HA H 1 4.263 0.001 . 1 . . . A 11 ALA HA . 36016 1
68 . 1 1 11 11 ALA HB1 H 1 1.352 0.002 . 1 . . . A 11 ALA HB1 . 36016 1
69 . 1 1 11 11 ALA HB2 H 1 1.352 0.002 . 1 . . . A 11 ALA HB2 . 36016 1
70 . 1 1 11 11 ALA HB3 H 1 1.352 0.002 . 1 . . . A 11 ALA HB3 . 36016 1
71 . 1 1 12 12 LEU H H 1 7.583 0.002 . 1 . . . A 12 LEU H . 36016 1
72 . 1 1 12 12 LEU HA H 1 4.410 0.001 . 1 . . . A 12 LEU HA . 36016 1
73 . 1 1 12 12 LEU HB2 H 1 1.666 0.003 . . . . . A 12 LEU HB2 . 36016 1
74 . 1 1 12 12 LEU HB3 H 1 1.579 0.003 . . . . . A 12 LEU HB3 . 36016 1
75 . 1 1 12 12 LEU HG H 1 0.922 0.001 . 1 . . . A 12 LEU HG . 36016 1
76 . 1 1 12 12 LEU HD11 H 1 0.872 0.005 . . . . . A 12 LEU HD11 . 36016 1
77 . 1 1 12 12 LEU HD12 H 1 0.872 0.005 . . . . . A 12 LEU HD12 . 36016 1
78 . 1 1 12 12 LEU HD13 H 1 0.872 0.005 . . . . . A 12 LEU HD13 . 36016 1
79 . 1 1 12 12 LEU HD21 H 1 0.872 0.005 . . . . . A 12 LEU HD21 . 36016 1
80 . 1 1 12 12 LEU HD22 H 1 0.872 0.005 . . . . . A 12 LEU HD22 . 36016 1
81 . 1 1 12 12 LEU HD23 H 1 0.872 0.005 . . . . . A 12 LEU HD23 . 36016 1
82 . 1 1 13 13 SER H H 1 8.241 0.003 . 1 . . . A 13 SER H . 36016 1
83 . 1 1 13 13 SER HA H 1 4.345 0.001 . 1 . . . A 13 SER HA . 36016 1
84 . 1 1 13 13 SER HB2 H 1 3.999 0.004 . . . . . A 13 SER HB2 . 36016 1
85 . 1 1 13 13 SER HB3 H 1 3.898 0.002 . . . . . A 13 SER HB3 . 36016 1
86 . 1 1 14 14 GLY H H 1 8.425 0.002 . 1 . . . A 14 GLY H . 36016 1
87 . 1 1 14 14 GLY HA2 H 1 4.133 0.002 . . . . . A 14 GLY HA2 . 36016 1
88 . 1 1 14 14 GLY HA3 H 1 3.968 0.005 . . . . . A 14 GLY HA3 . 36016 1
89 . 1 1 15 15 CYS H H 1 8.466 0.003 . 1 . . . A 15 CYS H . 36016 1
90 . 1 1 15 15 CYS HA H 1 4.990 0.003 . 1 . . . A 15 CYS HA . 36016 1
91 . 1 1 15 15 CYS HB2 H 1 3.554 0.006 . . . . . A 15 CYS HB2 . 36016 1
92 . 1 1 15 15 CYS HB3 H 1 2.648 0.005 . . . . . A 15 CYS HB3 . 36016 1
93 . 1 1 16 16 CYS H H 1 9.391 0.000 . 1 . . . A 16 CYS H . 36016 1
94 . 1 1 16 16 CYS HA H 1 4.355 0.003 . 1 . . . A 16 CYS HA . 36016 1
95 . 1 1 16 16 CYS HB2 H 1 3.190 0.006 . . . . . A 16 CYS HB2 . 36016 1
96 . 1 1 16 16 CYS HB3 H 1 2.623 0.005 . . . . . A 16 CYS HB3 . 36016 1
97 . 1 1 17 17 ASN H H 1 8.540 0.001 . 1 . . . A 17 ASN H . 36016 1
98 . 1 1 17 17 ASN HA H 1 5.017 0.001 . 1 . . . A 17 ASN HA . 36016 1
99 . 1 1 17 17 ASN HB2 H 1 2.823 0.007 . . . . . A 17 ASN HB2 . 36016 1
100 . 1 1 17 17 ASN HB3 H 1 2.471 0.002 . . . . . A 17 ASN HB3 . 36016 1
101 . 1 1 17 17 ASN HD21 H 1 7.783 0.000 . . . . . A 17 ASN HD21 . 36016 1
102 . 1 1 17 17 ASN HD22 H 1 7.073 0.000 . . . . . A 17 ASN HD22 . 36016 1
103 . 1 1 18 18 SER H H 1 8.613 0.002 . 1 . . . A 18 SER H . 36016 1
104 . 1 1 18 18 SER HA H 1 4.449 0.001 . 1 . . . A 18 SER HA . 36016 1
105 . 1 1 18 18 SER HB2 H 1 3.827 0.004 . . . . . A 18 SER HB2 . 36016 1
106 . 1 1 18 18 SER HB3 H 1 3.827 0.004 . . . . . A 18 SER HB3 . 36016 1
107 . 1 1 19 19 PRO HA H 1 4.743 0.001 . 1 . . . A 19 PRO HA . 36016 1
108 . 1 1 19 19 PRO HB2 H 1 2.290 0.008 . . . . . A 19 PRO HB2 . 36016 1
109 . 1 1 19 19 PRO HB3 H 1 2.178 0.002 . . . . . A 19 PRO HB3 . 36016 1
110 . 1 1 19 19 PRO HG2 H 1 1.951 0.004 . . . . . A 19 PRO HG2 . 36016 1
111 . 1 1 19 19 PRO HG3 H 1 1.544 0.003 . . . . . A 19 PRO HG3 . 36016 1
112 . 1 1 19 19 PRO HD2 H 1 3.456 0.012 . . . . . A 19 PRO HD2 . 36016 1
113 . 1 1 19 19 PRO HD3 H 1 3.456 0.012 . . . . . A 19 PRO HD3 . 36016 1
114 . 1 1 20 20 GLY H H 1 8.257 0.000 . 1 . . . A 20 GLY H . 36016 1
115 . 1 1 20 20 GLY HA2 H 1 4.190 0.007 . . . . . A 20 GLY HA2 . 36016 1
116 . 1 1 20 20 GLY HA3 H 1 3.495 0.004 . . . . . A 20 GLY HA3 . 36016 1
117 . 1 1 21 21 CYS H H 1 8.604 0.002 . 1 . . . A 21 CYS H . 36016 1
118 . 1 1 21 21 CYS HA H 1 4.529 0.003 . 1 . . . A 21 CYS HA . 36016 1
119 . 1 1 21 21 CYS HB2 H 1 3.067 0.002 . . . . . A 21 CYS HB2 . 36016 1
120 . 1 1 21 21 CYS HB3 H 1 2.957 0.005 . . . . . A 21 CYS HB3 . 36016 1
121 . 1 1 22 22 ILE H H 1 8.740 0.001 . 1 . . . A 22 ILE H . 36016 1
122 . 1 1 22 22 ILE HA H 1 4.142 0.004 . 1 . . . A 22 ILE HA . 36016 1
123 . 1 1 22 22 ILE HB H 1 1.980 0.003 . 1 . . . A 22 ILE HB . 36016 1
124 . 1 1 22 22 ILE HG12 H 1 1.366 0.002 . . . . . A 22 ILE HG12 . 36016 1
125 . 1 1 22 22 ILE HG13 H 1 1.174 0.002 . . . . . A 22 ILE HG13 . 36016 1
126 . 1 1 22 22 ILE HG21 H 1 0.710 0.002 . 1 . . . A 22 ILE HG21 . 36016 1
127 . 1 1 22 22 ILE HG22 H 1 0.710 0.002 . 1 . . . A 22 ILE HG22 . 36016 1
128 . 1 1 22 22 ILE HG23 H 1 0.710 0.002 . 1 . . . A 22 ILE HG23 . 36016 1
129 . 1 1 22 22 ILE HD11 H 1 0.628 0.002 . 1 . . . A 22 ILE HD11 . 36016 1
130 . 1 1 22 22 ILE HD12 H 1 0.628 0.002 . 1 . . . A 22 ILE HD12 . 36016 1
131 . 1 1 22 22 ILE HD13 H 1 0.628 0.002 . 1 . . . A 22 ILE HD13 . 36016 1
132 . 1 1 23 23 PHE H H 1 9.009 0.001 . 1 . . . A 23 PHE H . 36016 1
133 . 1 1 23 23 PHE HA H 1 4.179 0.004 . 1 . . . A 23 PHE HA . 36016 1
134 . 1 1 23 23 PHE HB2 H 1 3.452 0.010 . . . . . A 23 PHE HB2 . 36016 1
135 . 1 1 23 23 PHE HB3 H 1 3.057 0.003 . . . . . A 23 PHE HB3 . 36016 1
136 . 1 1 23 23 PHE HD1 H 1 7.351 0.002 . . . . . A 23 PHE HD1 . 36016 1
137 . 1 1 23 23 PHE HD2 H 1 7.257 0.000 . . . . . A 23 PHE HD2 . 36016 1
138 . 1 1 24 24 GLY H H 1 7.129 0.000 . 1 . . . A 24 GLY H . 36016 1
139 . 1 1 24 24 GLY HA2 H 1 4.257 0.003 . . . . . A 24 GLY HA2 . 36016 1
140 . 1 1 24 24 GLY HA3 H 1 3.727 0.002 . . . . . A 24 GLY HA3 . 36016 1
141 . 1 1 25 25 ILE H H 1 7.574 0.001 . 1 . . . A 25 ILE H . 36016 1
142 . 1 1 25 25 ILE HA H 1 4.901 0.002 . 1 . . . A 25 ILE HA . 36016 1
143 . 1 1 25 25 ILE HB H 1 1.748 0.001 . 1 . . . A 25 ILE HB . 36016 1
144 . 1 1 25 25 ILE HG12 H 1 1.433 0.001 . . . . . A 25 ILE HG12 . 36016 1
145 . 1 1 25 25 ILE HG13 H 1 1.433 0.001 . . . . . A 25 ILE HG13 . 36016 1
146 . 1 1 25 25 ILE HG21 H 1 1.194 0.003 . 1 . . . A 25 ILE HG21 . 36016 1
147 . 1 1 25 25 ILE HG22 H 1 1.194 0.003 . 1 . . . A 25 ILE HG22 . 36016 1
148 . 1 1 25 25 ILE HG23 H 1 1.194 0.003 . 1 . . . A 25 ILE HG23 . 36016 1
149 . 1 1 25 25 ILE HD11 H 1 0.826 0.003 . 1 . . . A 25 ILE HD11 . 36016 1
150 . 1 1 25 25 ILE HD12 H 1 0.826 0.003 . 1 . . . A 25 ILE HD12 . 36016 1
151 . 1 1 25 25 ILE HD13 H 1 0.826 0.003 . 1 . . . A 25 ILE HD13 . 36016 1
152 . 1 1 26 26 CYS H H 1 9.085 0.001 . 1 . . . A 26 CYS H . 36016 1
153 . 1 1 26 26 CYS HA H 1 4.823 0.002 . 1 . . . A 26 CYS HA . 36016 1
154 . 1 1 26 26 CYS HB2 H 1 3.424 0.005 . . . . . A 26 CYS HB2 . 36016 1
155 . 1 1 26 26 CYS HB3 H 1 2.839 0.003 . . . . . A 26 CYS HB3 . 36016 1
156 . 1 1 27 27 ALA H H 1 8.822 0.001 . 1 . . . A 27 ALA H . 36016 1
157 . 1 1 27 27 ALA HA H 1 4.313 0.002 . 1 . . . A 27 ALA HA . 36016 1
158 . 1 1 27 27 ALA HB1 H 1 1.487 0.002 . 1 . . . A 27 ALA HB1 . 36016 1
159 . 1 1 27 27 ALA HB2 H 1 1.487 0.002 . 1 . . . A 27 ALA HB2 . 36016 1
160 . 1 1 27 27 ALA HB3 H 1 1.487 0.002 . 1 . . . A 27 ALA HB3 . 36016 1
stop_
save_