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 19192
_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 DQF-COSY' . . . 19192 1
2 '2D 1H-1H TOCSY' . . . 19192 1
3 '2D 1H-1H NOESY' . . . 19192 1
4 '2D DQF-COSY' . . . 19192 1
5 '2D 1H-1H TOCSY' . . . 19192 1
6 '2D 1H-1H NOESY' . . . 19192 1
7 '2D 1H-13C HSQC' . . . 19192 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 THR HA H 1 4.292 0.000 . . . . . A 1 THR HA . 19192 1
2 . 1 1 1 1 THR HB H 1 4.209 0.000 . . . . . A 1 THR HB . 19192 1
3 . 1 1 1 1 THR HG21 H 1 1.193 0.000 . . . . . A 1 THR HG21 . 19192 1
4 . 1 1 1 1 THR HG22 H 1 1.193 0.000 . . . . . A 1 THR QG2 . 19192 1
5 . 1 1 1 1 THR HG23 H 1 1.193 0.000 . . . . . A 1 THR QG2 . 19192 1
6 . 1 1 1 1 THR H H 1 7.930 0.002 . . . . . A 1 THR H1 . 19192 1
7 . 1 1 1 1 THR CA C 13 62.360 0.000 . . . . . A 1 THR CA . 19192 1
8 . 1 1 1 1 THR CB C 13 69.950 0.000 . . . . . A 1 THR CB . 19192 1
9 . 1 1 2 2 TRP H H 1 8.187 0.004 . . . . . A 2 TRP H . 19192 1
10 . 1 1 2 2 TRP HA H 1 4.695 0.000 . . . . . A 2 TRP HA . 19192 1
11 . 1 1 2 2 TRP HB2 H 1 3.098 0.000 . . . . . A 2 TRP HB2 . 19192 1
12 . 1 1 2 2 TRP HB3 H 1 3.235 0.000 . . . . . A 2 TRP HB3 . 19192 1
13 . 1 1 2 2 TRP HD1 H 1 7.215 0.002 . . . . . A 2 TRP HD1 . 19192 1
14 . 1 1 2 2 TRP HE1 H 1 10.128 0.000 . . . . . A 2 TRP HE1 . 19192 1
15 . 1 1 2 2 TRP HE3 H 1 7.472 0.001 . . . . . A 2 TRP HE3 . 19192 1
16 . 1 1 2 2 TRP HZ2 H 1 7.497 0.002 . . . . . A 2 TRP HZ2 . 19192 1
17 . 1 1 2 2 TRP HZ3 H 1 7.102 0.005 . . . . . A 2 TRP HZ3 . 19192 1
18 . 1 1 2 2 TRP HH2 H 1 7.227 0.005 . . . . . A 2 TRP HH2 . 19192 1
19 . 1 1 2 2 TRP CA C 13 57.250 0.000 . . . . . A 2 TRP CA . 19192 1
20 . 1 1 2 2 TRP CB C 13 30.220 0.000 . . . . . A 2 TRP CB . 19192 1
21 . 1 1 3 3 LEU H H 1 8.058 0.000 . . . . . A 3 LEU H . 19192 1
22 . 1 1 3 3 LEU HA H 1 4.293 0.000 . . . . . A 3 LEU HA . 19192 1
23 . 1 1 3 3 LEU HB2 H 1 1.491 0.000 . . . . . A 3 LEU HB2 . 19192 1
24 . 1 1 3 3 LEU HB3 H 1 1.491 0.000 . . . . . A 3 LEU HB3 . 19192 1
25 . 1 1 3 3 LEU HG H 1 1.392 0.000 . . . . . A 3 LEU HG . 19192 1
26 . 1 1 3 3 LEU HD11 H 1 0.828 0.000 . . . . . A 3 LEU QD1 . 19192 1
27 . 1 1 3 3 LEU HD12 H 1 0.828 0.000 . . . . . A 3 LEU HD11 . 19192 1
28 . 1 1 3 3 LEU HD13 H 1 0.828 0.000 . . . . . A 3 LEU QD1 . 19192 1
29 . 1 1 3 3 LEU HD21 H 1 0.876 0.000 . . . . . A 3 LEU HD21 . 19192 1
30 . 1 1 3 3 LEU HD22 H 1 0.876 0.000 . . . . . A 3 LEU QD2 . 19192 1
31 . 1 1 3 3 LEU HD23 H 1 0.876 0.000 . . . . . A 3 LEU QD2 . 19192 1
32 . 1 1 3 3 LEU CA C 13 56.300 0.000 . . . . . A 3 LEU CA . 19192 1
33 . 1 1 3 3 LEU CB C 13 42.470 0.000 . . . . . A 3 LEU CB . 19192 1
34 . 1 1 4 4 LYS H H 1 8.175 0.000 . . . . . A 4 LYS H . 19192 1
35 . 1 1 4 4 LYS HA H 1 4.275 0.000 . . . . . A 4 LYS HA . 19192 1
36 . 1 1 4 4 LYS HE2 H 1 2.879 0.000 . . . . . A 4 LYS HE2 . 19192 1
37 . 1 1 4 4 LYS HE3 H 1 2.879 0.000 . . . . . A 4 LYS HE3 . 19192 1
38 . 1 1 4 4 LYS HZ1 H 1 7.503 0.000 . . . . . A 4 LYS HZ1 . 19192 1
39 . 1 1 4 4 LYS HZ2 H 1 7.503 0.000 . . . . . A 4 LYS HZ2 . 19192 1
40 . 1 1 4 4 LYS HZ3 H 1 7.503 0.000 . . . . . A 4 LYS HZ3 . 19192 1
41 . 1 1 4 4 LYS CA C 13 57.000 0.000 . . . . . A 4 LYS CA . 19192 1
42 . 1 1 4 4 LYS CB C 13 32.750 0.000 . . . . . A 4 LYS CB . 19192 1
43 . 1 1 5 5 LYS H H 1 8.173 0.000 . . . . . A 5 LYS H . 19192 1
44 . 1 1 5 5 LYS HA H 1 4.285 0.000 . . . . . A 5 LYS HA . 19192 1
45 . 1 1 5 5 LYS HB2 H 1 1.686 0.000 . . . . . A 5 LYS HB2 . 19192 1
46 . 1 1 5 5 LYS HB3 H 1 1.827 0.000 . . . . . A 5 LYS HB3 . 19192 1
47 . 1 1 5 5 LYS HE2 H 1 2.888 0.000 . . . . . A 5 LYS HE2 . 19192 1
48 . 1 1 5 5 LYS HE3 H 1 2.888 0.000 . . . . . A 5 LYS HE3 . 19192 1
49 . 1 1 5 5 LYS HZ1 H 1 7.506 0.000 . . . . . A 5 LYS HZ1 . 19192 1
50 . 1 1 5 5 LYS HZ2 H 1 7.506 0.000 . . . . . A 5 LYS HZ2 . 19192 1
51 . 1 1 5 5 LYS HZ3 H 1 7.506 0.000 . . . . . A 5 LYS HZ3 . 19192 1
52 . 1 1 5 5 LYS CA C 13 56.200 0.000 . . . . . A 5 LYS CA . 19192 1
53 . 1 1 5 5 LYS CB C 13 33.040 0.000 . . . . . A 5 LYS CB . 19192 1
54 . 1 1 6 6 ARG H H 1 8.140 0.000 . . . . . A 6 ARG H . 19192 1
55 . 1 1 6 6 ARG HA H 1 4.111 0.002 . . . . . A 6 ARG HA . 19192 1
56 . 1 1 6 6 ARG HB2 H 1 1.722 0.000 . . . . . A 6 ARG HB2 . 19192 1
57 . 1 1 6 6 ARG HB3 H 1 1.722 0.000 . . . . . A 6 ARG HB3 . 19192 1
58 . 1 1 6 6 ARG HG2 H 1 1.487 0.000 . . . . . A 6 ARG HG2 . 19192 1
59 . 1 1 6 6 ARG HG3 H 1 1.545 0.000 . . . . . A 6 ARG HG3 . 19192 1
60 . 1 1 6 6 ARG CA C 13 56.850 0.000 . . . . . A 6 ARG CA . 19192 1
61 . 1 1 6 6 ARG CB C 13 30.000 0.000 . . . . . A 6 ARG CB . 19192 1
62 . 1 1 7 7 ARG H H 1 8.191 0.002 . . . . . A 7 ARG H . 19192 1
63 . 1 1 7 7 ARG HA H 1 4.166 0.000 . . . . . A 7 ARG HA . 19192 1
64 . 1 1 7 7 ARG HB2 H 1 1.672 0.003 . . . . . A 7 ARG HB2 . 19192 1
65 . 1 1 7 7 ARG HB3 H 1 1.734 0.000 . . . . . A 7 ARG HB3 . 19192 1
66 . 1 1 7 7 ARG HG2 H 1 1.365 0.000 . . . . . A 7 ARG HG2 . 19192 1
67 . 1 1 7 7 ARG HG3 H 1 1.393 0.000 . . . . . A 7 ARG HG3 . 19192 1
68 . 1 1 7 7 ARG CA C 13 56.670 0.000 . . . . . A 7 ARG CA . 19192 1
69 . 1 1 7 7 ARG CB C 13 30.000 0.000 . . . . . A 7 ARG CB . 19192 1
70 . 1 1 8 8 TRP H H 1 7.917 0.003 . . . . . A 8 TRP H . 19192 1
71 . 1 1 8 8 TRP HB2 H 1 3.236 0.000 . . . . . A 8 TRP HB2 . 19192 1
72 . 1 1 8 8 TRP HB3 H 1 3.362 0.000 . . . . . A 8 TRP HB3 . 19192 1
73 . 1 1 8 8 TRP HD1 H 1 7.257 0.000 . . . . . A 8 TRP HD1 . 19192 1
74 . 1 1 8 8 TRP HE1 H 1 10.233 0.002 . . . . . A 8 TRP HE1 . 19192 1
75 . 1 1 8 8 TRP HE3 H 1 7.605 0.001 . . . . . A 8 TRP HE3 . 19192 1
76 . 1 1 8 8 TRP HZ2 H 1 7.510 0.002 . . . . . A 8 TRP HZ2 . 19192 1
77 . 1 1 8 8 TRP HZ3 H 1 7.126 0.000 . . . . . A 8 TRP HZ3 . 19192 1
78 . 1 1 8 8 TRP HH2 H 1 7.242 0.000 . . . . . A 8 TRP HH2 . 19192 1
79 . 1 1 8 8 TRP CA C 13 56.840 0.000 . . . . . A 8 TRP CA . 19192 1
80 . 1 1 8 8 TRP CB C 13 30.190 0.000 . . . . . A 8 TRP CB . 19192 1
81 . 1 1 9 9 LYS H H 1 8.291 0.000 . . . . . A 9 LYS H . 19192 1
82 . 1 1 9 9 LYS HA H 1 4.460 0.000 . . . . . A 9 LYS HA . 19192 1
83 . 1 1 9 9 LYS HB2 H 1 1.687 0.000 . . . . . A 9 LYS HB2 . 19192 1
84 . 1 1 9 9 LYS HB3 H 1 1.783 0.000 . . . . . A 9 LYS HB3 . 19192 1
85 . 1 1 9 9 LYS HG2 H 1 1.311 0.000 . . . . . A 9 LYS HG2 . 19192 1
86 . 1 1 9 9 LYS HG3 H 1 1.311 0.000 . . . . . A 9 LYS HG3 . 19192 1
87 . 1 1 9 9 LYS HD2 H 1 1.481 0.000 . . . . . A 9 LYS HD2 . 19192 1
88 . 1 1 9 9 LYS HD3 H 1 1.532 0.000 . . . . . A 9 LYS HD3 . 19192 1
89 . 1 1 9 9 LYS HE2 H 1 2.786 0.004 . . . . . A 9 LYS HE2 . 19192 1
90 . 1 1 9 9 LYS HE3 H 1 2.786 0.004 . . . . . A 9 LYS HE3 . 19192 1
91 . 1 1 9 9 LYS HZ1 H 1 7.406 0.000 . . . . . A 9 LYS HZ1 . 19192 1
92 . 1 1 9 9 LYS HZ2 H 1 7.406 0.000 . . . . . A 9 LYS HZ2 . 19192 1
93 . 1 1 9 9 LYS HZ3 H 1 7.406 0.000 . . . . . A 9 LYS HZ3 . 19192 1
94 . 1 1 9 9 LYS CA C 13 56.770 0.000 . . . . . A 9 LYS CA . 19192 1
95 . 1 1 9 9 LYS CB C 13 33.800 0.000 . . . . . A 9 LYS CB . 19192 1
96 . 1 1 10 10 LYS H H 1 8.059 0.000 . . . . . A 10 LYS H . 19192 1
97 . 1 1 10 10 LYS HA H 1 4.285 0.000 . . . . . A 10 LYS HA . 19192 1
98 . 1 1 10 10 LYS HB2 H 1 1.510 0.000 . . . . . A 10 LYS HB2 . 19192 1
99 . 1 1 10 10 LYS HB3 H 1 1.731 0.000 . . . . . A 10 LYS HB3 . 19192 1
100 . 1 1 10 10 LYS HG2 H 1 1.346 0.000 . . . . . A 10 LYS HG2 . 19192 1
101 . 1 1 10 10 LYS HG3 H 1 1.346 0.000 . . . . . A 10 LYS HG3 . 19192 1
102 . 1 1 10 10 LYS HD2 H 1 1.652 0.000 . . . . . A 10 LYS HD2 . 19192 1
103 . 1 1 10 10 LYS HD3 H 1 1.652 0.000 . . . . . A 10 LYS HD3 . 19192 1
104 . 1 1 10 10 LYS HE2 H 1 2.957 0.000 . . . . . A 10 LYS HE2 . 19192 1
105 . 1 1 10 10 LYS HE3 H 1 2.957 0.000 . . . . . A 10 LYS HE3 . 19192 1
106 . 1 1 10 10 LYS HZ1 H 1 7.538 0.000 . . . . . A 10 LYS HZ1 . 19192 1
107 . 1 1 10 10 LYS HZ2 H 1 7.538 0.000 . . . . . A 10 LYS HZ2 . 19192 1
108 . 1 1 10 10 LYS HZ3 H 1 7.538 0.000 . . . . . A 10 LYS HZ3 . 19192 1
109 . 1 1 10 10 LYS CA C 13 56.200 0.000 . . . . . A 10 LYS CA . 19192 1
110 . 1 1 10 10 LYS CB C 13 34.010 0.000 . . . . . A 10 LYS CB . 19192 1
111 . 1 1 11 11 ALA H H 1 8.169 0.000 . . . . . A 11 ALA H . 19192 1
112 . 1 1 11 11 ALA HA H 1 4.115 0.000 . . . . . A 11 ALA HA . 19192 1
113 . 1 1 11 11 ALA HB1 H 1 1.185 0.001 . . . . . A 11 ALA HB1 . 19192 1
114 . 1 1 11 11 ALA HB2 H 1 1.185 0.001 . . . . . A 11 ALA HB2 . 19192 1
115 . 1 1 11 11 ALA HB3 H 1 1.185 0.001 . . . . . A 11 ALA HB3 . 19192 1
116 . 1 1 11 11 ALA CA C 13 52.520 0.000 . . . . . A 11 ALA CA . 19192 1
117 . 1 1 11 11 ALA CB C 13 19.750 0.000 . . . . . A 11 ALA CB . 19192 1
118 . 1 1 12 12 LYS H H 1 8.184 0.000 . . . . . A 12 LYS H . 19192 1
119 . 1 1 12 12 LYS HA H 1 4.699 0.000 . . . . . A 12 LYS HA . 19192 1
120 . 1 1 12 12 LYS HB2 H 1 1.593 0.000 . . . . . A 12 LYS HB2 . 19192 1
121 . 1 1 12 12 LYS HB3 H 1 1.735 0.008 . . . . . A 12 LYS HB3 . 19192 1
122 . 1 1 12 12 LYS HG2 H 1 1.302 0.000 . . . . . A 12 LYS HG2 . 19192 1
123 . 1 1 12 12 LYS HG3 H 1 1.356 0.000 . . . . . A 12 LYS HG3 . 19192 1
124 . 1 1 12 12 LYS HD2 H 1 1.580 0.000 . . . . . A 12 LYS HD2 . 19192 1
125 . 1 1 12 12 LYS HD3 H 1 1.580 0.000 . . . . . A 12 LYS HD3 . 19192 1
126 . 1 1 12 12 LYS HE2 H 1 2.878 0.000 . . . . . A 12 LYS HE2 . 19192 1
127 . 1 1 12 12 LYS HE3 H 1 2.878 0.000 . . . . . A 12 LYS HE3 . 19192 1
128 . 1 1 12 12 LYS CA C 13 53.630 0.000 . . . . . A 12 LYS CA . 19192 1
129 . 1 1 12 12 LYS CB C 13 33.470 0.000 . . . . . A 12 LYS CB . 19192 1
130 . 1 1 13 13 DPR CA C 13 61.800 0.000 . . . . . A 13 DPR CA . 19192 1
131 . 1 1 13 13 DPR CB C 13 30.830 0.000 . . . . . A 13 DPR CB . 19192 1
132 . 1 1 13 13 DPR HA H 1 4.728 0.001 . . . . . A 13 DPR HA . 19192 1
133 . 1 1 13 13 DPR HB2 H 1 1.924 0.000 . . . . . A 13 DPR HB2 . 19192 1
134 . 1 1 13 13 DPR HB3 H 1 2.302 0.000 . . . . . A 13 DPR HB3 . 19192 1
135 . 1 1 13 13 DPR HD2 H 1 3.538 0.000 . . . . . A 13 DPR HD2 . 19192 1
136 . 1 1 13 13 DPR HD3 H 1 3.689 0.001 . . . . . A 13 DPR HD3 . 19192 1
137 . 1 1 13 13 DPR HG2 H 1 2.000 0.000 . . . . . A 13 DPR HG2 . 19192 1
138 . 1 1 13 13 DPR HG3 H 1 2.071 0.000 . . . . . A 13 DPR HG3 . 19192 1
139 . 1 1 14 14 PRO HA H 1 4.419 0.000 . . . . . A 14 PRO HA . 19192 1
140 . 1 1 14 14 PRO HB2 H 1 1.915 0.005 . . . . . A 14 PRO HB2 . 19192 1
141 . 1 1 14 14 PRO HB3 H 1 2.155 0.006 . . . . . A 14 PRO HB3 . 19192 1
142 . 1 1 14 14 PRO HG2 H 1 1.958 0.003 . . . . . A 14 PRO HG2 . 19192 1
143 . 1 1 14 14 PRO HG3 H 1 2.043 0.002 . . . . . A 14 PRO HG3 . 19192 1
144 . 1 1 14 14 PRO HD2 H 1 3.690 0.002 . . . . . A 14 PRO HD2 . 19192 1
145 . 1 1 14 14 PRO HD3 H 1 3.905 0.001 . . . . . A 14 PRO HD3 . 19192 1
146 . 1 1 14 14 PRO CA C 13 63.850 0.000 . . . . . A 14 PRO CA . 19192 1
147 . 1 1 14 14 PRO CB C 13 32.110 0.000 . . . . . A 14 PRO CB . 19192 1
stop_
save_