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 16023
_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_H2O
_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 0.001
_Assigned_chem_shift_list.Chem_shift_13C_err 0.01
_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-13C HSQC' . . . 16023 1
2 '2D 1H-1H TOCSY' . . . 16023 1
3 '2D 1H-1H NOESY' . . . 16023 1
4 '2D 1H-13C HSQC' . . . 16023 1
5 '2D 1H-1H NOESY' . . . 16023 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
2 $SPARKY . . 16023 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.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 ACE H1 H 1 2.123 0.001 . 1 . . . . . 2 A QH3 . 16023 1
2 . 1 1 1 1 ACE H2 H 1 2.123 0.001 . 1 . . . . . 2 A QH3 . 16023 1
3 . 1 1 1 1 ACE H3 H 1 2.123 0.001 . 1 . . . . . 2 A QH3 . 16023 1
4 . 1 1 2 2 ALA H H 1 8.585 0.001 . 1 . . . . . 2 A HN . 16023 1
5 . 1 1 2 2 ALA HA H 1 4.175 0.001 . 1 . . . . . 2 A HA . 16023 1
6 . 1 1 2 2 ALA HB1 H 1 1.467 0.001 . 1 . . . . . 2 A QB . 16023 1
7 . 1 1 2 2 ALA HB2 H 1 1.467 0.001 . 1 . . . . . 2 A QB . 16023 1
8 . 1 1 2 2 ALA HB3 H 1 1.467 0.001 . 1 . . . . . 2 A QB . 16023 1
9 . 1 1 2 2 ALA CB C 13 18.74 0.01 . 1 . . . . . 2 A CB . 16023 1
10 . 1 1 3 3 LYS H H 1 8.564 0.001 . 1 . . . . . 3 K HN . 16023 1
11 . 1 1 3 3 LYS HA H 1 4.225 0.001 . 1 . . . . . 3 K HA . 16023 1
12 . 1 1 3 3 LYS HB2 H 1 1.820 0.001 . 2 . . . . . 3 K QB . 16023 1
13 . 1 1 3 3 LYS HB3 H 1 1.820 0.001 . 2 . . . . . 3 K QB . 16023 1
14 . 1 1 3 3 LYS HD2 H 1 1.697 0.001 . 2 . . . . . 3 K QD . 16023 1
15 . 1 1 3 3 LYS HD3 H 1 1.697 0.001 . 2 . . . . . 3 K QD . 16023 1
16 . 1 1 3 3 LYS HE2 H 1 2.985 0.001 . 2 . . . . . 3 K QE . 16023 1
17 . 1 1 3 3 LYS HE3 H 1 2.985 0.001 . 2 . . . . . 3 K QE . 16023 1
18 . 1 1 3 3 LYS HG2 H 1 1.520 0.001 . 2 . . . . . 3 K QG . 16023 1
19 . 1 1 3 3 LYS HG3 H 1 1.520 0.001 . 2 . . . . . 3 K QG . 16023 1
20 . 1 1 3 3 LYS CB C 13 32.61 0.01 . 1 . . . . . 3 K CB . 16023 1
21 . 1 1 4 4 ALA H H 1 8.334 0.001 . 1 . . . . . 4 A HN . 16023 1
22 . 1 1 4 4 ALA HA H 1 4.335 0.001 . 1 . . . . . 4 A HA . 16023 1
23 . 1 1 4 4 ALA HB1 H 1 1.554 0.001 . 1 . . . . . 4 A QB . 16023 1
24 . 1 1 4 4 ALA HB2 H 1 1.554 0.001 . 1 . . . . . 4 A QB . 16023 1
25 . 1 1 4 4 ALA HB3 H 1 1.554 0.001 . 1 . . . . . 4 A QB . 16023 1
26 . 1 1 4 4 ALA CB C 13 18.03 0.01 . 1 . . . . . 4 A CB . 16023 1
27 . 1 1 5 5 ALA H H 1 8.513 0.001 . 1 . . . . . 5 A HN . 16023 1
28 . 1 1 5 5 ALA HA H 1 3.875 0.001 . 1 . . . . . 5 A HA . 16023 1
29 . 1 1 5 5 ALA HB1 H 1 1.382 0.001 . 1 . . . . . 5 A QB . 16023 1
30 . 1 1 5 5 ALA HB2 H 1 1.382 0.001 . 1 . . . . . 5 A QB . 16023 1
31 . 1 1 5 5 ALA HB3 H 1 1.382 0.001 . 1 . . . . . 5 A QB . 16023 1
32 . 1 1 5 5 ALA CB C 13 17.38 0.01 . 1 . . . . . 5 A CB . 16023 1
33 . 1 1 6 6 ALA H H 1 8.347 0.001 . 1 . . . . . 6 A HN . 16023 1
34 . 1 1 6 6 ALA HA H 1 3.918 0.001 . 1 . . . . . 6 A HA . 16023 1
35 . 1 1 6 6 ALA HB1 H 1 1.482 0.001 . 1 . . . . . 6 A QB . 16023 1
36 . 1 1 6 6 ALA HB2 H 1 1.482 0.001 . 1 . . . . . 6 A QB . 16023 1
37 . 1 1 6 6 ALA HB3 H 1 1.482 0.001 . 1 . . . . . 6 A QB . 16023 1
38 . 1 1 6 6 ALA CB C 13 17.72 0.01 . 1 . . . . . 6 A CB . 16023 1
39 . 1 1 7 7 ALA H H 1 7.836 0.001 . 1 . . . . . 7 A HN . 16023 1
40 . 1 1 7 7 ALA HA H 1 4.170 0.001 . 1 . . . . . 7 A HA . 16023 1
41 . 1 1 7 7 ALA HB1 H 1 1.516 0.001 . 1 . . . . . 7 A QB . 16023 1
42 . 1 1 7 7 ALA HB2 H 1 1.516 0.001 . 1 . . . . . 7 A QB . 16023 1
43 . 1 1 7 7 ALA HB3 H 1 1.516 0.001 . 1 . . . . . 7 A QB . 16023 1
44 . 1 1 8 8 ALA H H 1 8.117 0.001 . 1 . . . . . 8 A HN . 16023 1
45 . 1 1 8 8 ALA HA H 1 4.188 0.001 . 1 . . . . . 8 A HA . 16023 1
46 . 1 1 8 8 ALA HB1 H 1 1.303 0.001 . 1 . . . . . 8 A QB . 16023 1
47 . 1 1 8 8 ALA HB2 H 1 1.303 0.001 . 1 . . . . . 8 A QB . 16023 1
48 . 1 1 8 8 ALA HB3 H 1 1.303 0.001 . 1 . . . . . 8 A QB . 16023 1
49 . 1 1 8 8 ALA CB C 13 17.78 0.01 . 1 . . . . . 8 A CB . 16023 1
50 . 1 1 9 9 ILE H H 1 8.354 0.001 . 1 . . . . . 9 I HN . 16023 1
51 . 1 1 9 9 ILE HA H 1 3.672 0.001 . 1 . . . . . 9 I HA . 16023 1
52 . 1 1 9 9 ILE HB H 1 1.841 0.001 . 1 . . . . . 9 I HB . 16023 1
53 . 1 1 9 9 ILE HD11 H 1 0.506 0.001 . 1 . . . . . 9 I QD1 . 16023 1
54 . 1 1 9 9 ILE HD12 H 1 0.506 0.001 . 1 . . . . . 9 I QD1 . 16023 1
55 . 1 1 9 9 ILE HD13 H 1 0.506 0.001 . 1 . . . . . 9 I QD1 . 16023 1
56 . 1 1 9 9 ILE HG12 H 1 1.259 0.001 . 2 . . . . . 9 I HG12 . 16023 1
57 . 1 1 9 9 ILE HG13 H 1 0.992 0.001 . 2 . . . . . 9 I HG13 . 16023 1
58 . 1 1 9 9 ILE HG21 H 1 0.750 0.001 . 1 . . . . . 9 I QG2 . 16023 1
59 . 1 1 9 9 ILE HG22 H 1 0.750 0.001 . 1 . . . . . 9 I QG2 . 16023 1
60 . 1 1 9 9 ILE HG23 H 1 0.750 0.001 . 1 . . . . . 9 I QG2 . 16023 1
61 . 1 1 9 9 ILE CD1 C 13 12.68 0.01 . 1 . . . . . 9 I CD1 . 16023 1
62 . 1 1 9 9 ILE CG2 C 13 18.20 0.01 . 1 . . . . . 9 I CG2 . 16023 1
63 . 1 1 10 10 LYS H H 1 7.645 0.001 . 1 . . . . . 10 K HN . 16023 1
64 . 1 1 10 10 LYS HA H 1 4.025 0.001 . 1 . . . . . 10 K HA . 16023 1
65 . 1 1 10 10 LYS HB2 H 1 1.934 0.001 . 1 . . . . . 10 K HB1 . 16023 1
66 . 1 1 10 10 LYS HB3 H 1 1.619 0.001 . 2 . . . . . 10 K HB2 . 16023 1
67 . 1 1 10 10 LYS HD2 H 1 1.699 0.001 . 2 . . . . . 10 K QD . 16023 1
68 . 1 1 10 10 LYS HD3 H 1 1.699 0.001 . 2 . . . . . 10 K QD . 16023 1
69 . 1 1 10 10 LYS HE2 H 1 3.003 0.001 . 2 . . . . . 10 K QE . 16023 1
70 . 1 1 10 10 LYS HE3 H 1 3.003 0.001 . 2 . . . . . 10 K QE . 16023 1
71 . 1 1 10 10 LYS HG2 H 1 1.450 0.01 . 2 . . . . . 10 K QG . 16023 1
72 . 1 1 10 10 LYS HG3 H 1 1.450 0.01 . 2 . . . . . 10 K QG . 16023 1
73 . 1 1 10 10 LYS CB C 13 32.42 0.01 . 1 . . . . . 10 K CB . 16023 1
74 . 1 1 11 11 ALA H H 1 7.857 0.001 . 1 . . . . . 11 A HN . 16023 1
75 . 1 1 11 11 ALA HA H 1 4.229 0.001 . 1 . . . . . 11 A HA . 16023 1
76 . 1 1 11 11 ALA HB1 H 1 1.581 0.001 . 1 . . . . . 11 A QB . 16023 1
77 . 1 1 11 11 ALA HB2 H 1 1.581 0.001 . 1 . . . . . 11 A QB . 16023 1
78 . 1 1 11 11 ALA HB3 H 1 1.581 0.001 . 1 . . . . . 11 A QB . 16023 1
79 . 1 1 11 11 ALA CB C 13 18.09 0.01 . 1 . . . . . 11 A CB . 16023 1
80 . 1 1 12 12 ILE H H 1 8.580 0.001 . 1 . . . . . 12 I HN . 16023 1
81 . 1 1 12 12 ILE HA H 1 3.553 0.001 . 1 . . . . . 12 I HA . 16023 1
82 . 1 1 12 12 ILE HB H 1 2.204 0.001 . 1 . . . . . 12 I HB . 16023 1
83 . 1 1 12 12 ILE HD11 H 1 0.711 0.001 . 1 . . . . . 12 I QD1 . 16023 1
84 . 1 1 12 12 ILE HD12 H 1 0.711 0.001 . 1 . . . . . 12 I QD1 . 16023 1
85 . 1 1 12 12 ILE HD13 H 1 0.711 0.001 . 1 . . . . . 12 I QD1 . 16023 1
86 . 1 1 12 12 ILE HG12 H 1 1.880 0.001 . 2 . . . . . 12 I HG12 . 16023 1
87 . 1 1 12 12 ILE HG13 H 1 0.911 0.001 . 2 . . . . . 12 I HG13 . 16023 1
88 . 1 1 12 12 ILE HG21 H 1 0.791 0.001 . 1 . . . . . 12 I QG2 . 16023 1
89 . 1 1 12 12 ILE HG22 H 1 0.791 0.001 . 1 . . . . . 12 I QG2 . 16023 1
90 . 1 1 12 12 ILE HG23 H 1 0.791 0.001 . 1 . . . . . 12 I QG2 . 16023 1
91 . 1 1 12 12 ILE CA C 13 65.64 0.01 . 1 . . . . . 12 I CA . 16023 1
92 . 1 1 12 12 ILE CD1 C 13 13.89 0.01 . 1 . . . . . 12 I CD1 . 16023 1
93 . 1 1 12 12 ILE CG2 C 13 16.87 0.01 . 1 . . . . . 12 I CG2 . 16023 1
94 . 1 1 13 13 ALA H H 1 9.064 0.001 . 1 . . . . . 13 A HN . 16023 1
95 . 1 1 13 13 ALA HA H 1 3.857 0.001 . 1 . . . . . 13 A HA . 16023 1
96 . 1 1 13 13 ALA HB1 H 1 1.510 0.001 . 1 . . . . . 13 A QB . 16023 1
97 . 1 1 13 13 ALA HB2 H 1 1.510 0.001 . 1 . . . . . 13 A QB . 16023 1
98 . 1 1 13 13 ALA HB3 H 1 1.510 0.001 . 1 . . . . . 13 A QB . 16023 1
99 . 1 1 13 13 ALA CB C 13 17.90 0.01 . 1 . . . . . 13 A CB . 16023 1
100 . 1 1 14 14 ALA H H 1 7.818 0.001 . 1 . . . . . 14 A HN . 16023 1
101 . 1 1 14 14 ALA HA H 1 4.233 0.001 . 1 . . . . . 14 A HA . 16023 1
102 . 1 1 14 14 ALA HB1 H 1 1.557 0.001 . 1 . . . . . 14 A QB . 16023 1
103 . 1 1 14 14 ALA HB2 H 1 1.557 0.001 . 1 . . . . . 14 A QB . 16023 1
104 . 1 1 14 14 ALA HB3 H 1 1.557 0.001 . 1 . . . . . 14 A QB . 16023 1
105 . 1 1 14 14 ALA CB C 13 17.59 0.01 . 1 . . . . . 14 A CB . 16023 1
106 . 1 1 15 15 ILE H H 1 7.476 0.011 . 1 . . . . . 15 I HN . 16023 1
107 . 1 1 15 15 ILE HA H 1 3.783 0.001 . 1 . . . . . 15 I HA . 16023 1
108 . 1 1 15 15 ILE HB H 1 2.062 0.001 . 1 . . . . . 15 I HB . 16023 1
109 . 1 1 15 15 ILE HD11 H 1 0.802 0.001 . 1 . . . . . 15 I QD1 . 16023 1
110 . 1 1 15 15 ILE HD12 H 1 0.802 0.001 . 1 . . . . . 15 I QD1 . 16023 1
111 . 1 1 15 15 ILE HD13 H 1 0.802 0.001 . 1 . . . . . 15 I QD1 . 16023 1
112 . 1 1 15 15 ILE HG12 H 1 1.753 0.001 . 2 . . . . . 15 I HG12 . 16023 1
113 . 1 1 15 15 ILE HG13 H 1 1.202 0.001 . 2 . . . . . 15 I HG13 . 16023 1
114 . 1 1 15 15 ILE HG21 H 1 0.984 0.001 . 1 . . . . . 15 I QG2 . 16023 1
115 . 1 1 15 15 ILE HG22 H 1 0.984 0.001 . 1 . . . . . 15 I QG2 . 16023 1
116 . 1 1 15 15 ILE HG23 H 1 0.984 0.001 . 1 . . . . . 15 I QG2 . 16023 1
117 . 1 1 15 15 ILE CA C 13 64.55 0.01 . 1 . . . . . 15 I CA . 16023 1
118 . 1 1 15 15 ILE CD1 C 13 14.50 0.01 . 1 . . . . . 15 I CD1 . 16023 1
119 . 1 1 15 15 ILE CG2 C 13 16.90 0.01 . 1 . . . . . 15 I CG2 . 16023 1
120 . 1 1 16 16 ILE H H 1 8.019 0.001 . 1 . . . . . 16 I HN . 16023 1
121 . 1 1 16 16 ILE HA H 1 3.782 0.001 . 1 . . . . . 16 I HA . 16023 1
122 . 1 1 16 16 ILE HB H 1 2.252 0.001 . 1 . . . . . 16 I HB . 16023 1
123 . 1 1 16 16 ILE HD11 H 1 0.676 0.001 . 1 . . . . . 16 I QD1 . 16023 1
124 . 1 1 16 16 ILE HD12 H 1 0.676 0.001 . 1 . . . . . 16 I QD1 . 16023 1
125 . 1 1 16 16 ILE HD13 H 1 0.676 0.001 . 1 . . . . . 16 I QD1 . 16023 1
126 . 1 1 16 16 ILE HG12 H 1 1.582 0.001 . 2 . . . . . 16 I HG12 . 16023 1
127 . 1 1 16 16 ILE HG13 H 1 1.334 0.001 . 2 . . . . . 16 I HG13 . 16023 1
128 . 1 1 16 16 ILE HG21 H 1 0.932 0.001 . 1 . . . . . 16 I QG2 . 16023 1
129 . 1 1 16 16 ILE HG22 H 1 0.932 0.001 . 1 . . . . . 16 I QG2 . 16023 1
130 . 1 1 16 16 ILE HG23 H 1 0.932 0.001 . 1 . . . . . 16 I QG2 . 16023 1
131 . 1 1 16 16 ILE CD1 C 13 10.55 0.01 . 1 . . . . . 16 I CD1 . 16023 1
132 . 1 1 16 16 ILE CG2 C 13 17.28 0.01 . 1 . . . . . 16 I CG2 . 16023 1
133 . 1 1 17 17 LYS H H 1 8.421 0.001 . 1 . . . . . 17 K HN . 16023 1
134 . 1 1 17 17 LYS HA H 1 4.145 0.001 . 1 . . . . . 17 K HA . 16023 1
135 . 1 1 17 17 LYS HB2 H 1 1.890 0.001 . 2 . . . . . 17 K HB2 . 16023 1
136 . 1 1 17 17 LYS HB3 H 1 1.966 0.001 . 2 . . . . . 17 K HB3 . 16023 1
137 . 1 1 17 17 LYS HD2 H 1 1.693 0.001 . 2 . . . . . 17 K QD . 16023 1
138 . 1 1 17 17 LYS HD3 H 1 1.693 0.001 . 2 . . . . . 17 K QD . 16023 1
139 . 1 1 17 17 LYS HE2 H 1 2.974 0.001 . 2 . . . . . 17 K QE . 16023 1
140 . 1 1 17 17 LYS HE3 H 1 2.974 0.001 . 2 . . . . . 17 K QE . 16023 1
141 . 1 1 17 17 LYS CB C 13 32.10 0.01 . 1 . . . . . 17 K CB . 16023 1
142 . 1 1 18 18 ALA H H 1 8.318 0.001 . 1 . . . . . 18 A HN . 16023 1
143 . 1 1 18 18 ALA HA H 1 4.169 0.001 . 1 . . . . . 18 A HA . 16023 1
144 . 1 1 18 18 ALA HB1 H 1 1.514 0.001 . 1 . . . . . 18 A QB . 16023 1
145 . 1 1 18 18 ALA HB2 H 1 1.514 0.001 . 1 . . . . . 18 A QB . 16023 1
146 . 1 1 18 18 ALA HB3 H 1 1.514 0.001 . 1 . . . . . 18 A QB . 16023 1
147 . 1 1 18 18 ALA CB C 13 17.90 0.01 . 1 . . . . . 18 A CB . 16023 1
148 . 1 1 19 19 GLY H H 1 7.579 0.001 . 1 . . . . . 19 G HN . 16023 1
149 . 1 1 19 19 GLY HA2 H 1 4.175 0.001 . 2 . . . . . 19 G HA2 . 16023 1
150 . 1 1 19 19 GLY HA3 H 1 3.547 0.001 . 2 . . . . . 19 G HA3 . 16023 1
151 . 1 1 20 20 GLY H H 1 7.741 0.001 . 1 . . . . . 20 G HN . 16023 1
152 . 1 1 20 20 GLY HA2 H 1 3.825 0.001 . 2 . . . . . 20 G HA2 . 16023 1
153 . 1 1 20 20 GLY HA3 H 1 3.873 0.001 . 2 . . . . . 20 G HA3 . 16023 1
154 . 1 1 21 21 HIS H H 1 7.799 0.001 . 1 . . . . . 21 H HN . 16023 1
155 . 1 1 21 21 HIS HA H 1 4.454 0.001 . 1 . . . . . 21 H HA . 16023 1
156 . 1 1 21 21 HIS HB2 H 1 3.065 0.001 . 2 . . . . . 21 H HB2 . 16023 1
157 . 1 1 21 21 HIS HB3 H 1 2.957 0.001 . 2 . . . . . 21 H HB3 . 16023 1
158 . 1 1 21 21 HIS HD2 H 1 7.022 0.001 . 1 . . . . . 21 H HD2 . 16023 1
159 . 1 1 21 21 HIS HE1 H 1 7.625 0.001 . 1 . . . . . 21 H HE1 . 16023 1
160 . 1 1 22 22 NH2 HN1 H 1 7.745 0.001 . 1 . . . . . 21 H NH2 . 16023 1
161 . 1 1 22 22 NH2 HN2 H 1 7.745 0.001 . 1 . . . . . 21 H NH2 . 16023 1
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