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 25366
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'Chemical shifts in 30 mM DPC-d38 in H2O/D2O 9:1 v/v at 298K'
_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 COSY' 1 $sample_1 isotropic 25366 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25366 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25366 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 $SPARKY . . 25366 1
2 $TOPSPIN . . 25366 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 LYS HA H 1 4 0.01 . 1 . . . . 1 LYS HA . 25366 1
2 . 1 1 1 1 LYS HB2 H 1 1.87 0.01 . 2 . . . . 1 LYS HB2 . 25366 1
3 . 1 1 1 1 LYS HB3 H 1 1.87 0.01 . 2 . . . . 1 LYS HB3 . 25366 1
4 . 1 1 1 1 LYS HD2 H 1 1.68 0.01 . 2 . . . . 1 LYS HD2 . 25366 1
5 . 1 1 1 1 LYS HD3 H 1 1.68 0.01 . 2 . . . . 1 LYS HD3 . 25366 1
6 . 1 1 1 1 LYS HE2 H 1 2.97 0.01 . 2 . . . . 1 LYS HE2 . 25366 1
7 . 1 1 1 1 LYS HE3 H 1 2.97 0.01 . 2 . . . . 1 LYS HE3 . 25366 1
8 . 1 1 1 1 LYS HG2 H 1 1.43 0.01 . 2 . . . . 1 LYS HG2 . 25366 1
9 . 1 1 1 1 LYS HG3 H 1 1.43 0.01 . 2 . . . . 1 LYS HG3 . 25366 1
10 . 1 1 1 1 LYS CA C 13 55.4 0.1 . 1 . . . . 1 LYS CA . 25366 1
11 . 1 1 1 1 LYS CD C 13 28.8 0.1 . 1 . . . . 1 LYS CD . 25366 1
12 . 1 1 1 1 LYS CE C 13 41.5 0.1 . 1 . . . . 1 LYS CE . 25366 1
13 . 1 1 2 2 ARG H H 1 8.87 0.01 . 1 . . . . 2 ARG H . 25366 1
14 . 1 1 2 2 ARG HA H 1 4.31 0.01 . 1 . . . . 2 ARG HA . 25366 1
15 . 1 1 2 2 ARG HB2 H 1 1.68 0.01 . 2 . . . . 2 ARG HB2 . 25366 1
16 . 1 1 2 2 ARG HB3 H 1 1.68 0.01 . 2 . . . . 2 ARG HB3 . 25366 1
17 . 1 1 2 2 ARG HD2 H 1 3.11 0.01 . 2 . . . . 2 ARG HD2 . 25366 1
18 . 1 1 2 2 ARG HD3 H 1 3.11 0.01 . 2 . . . . 2 ARG HD3 . 25366 1
19 . 1 1 2 2 ARG HE H 1 7.34 0.01 . 1 . . . . 2 ARG HE . 25366 1
20 . 1 1 2 2 ARG HG2 H 1 1.47 0.01 . 2 . . . . 2 ARG HG2 . 25366 1
21 . 1 1 2 2 ARG HG3 H 1 1.56 0.01 . 2 . . . . 2 ARG HG3 . 25366 1
22 . 1 1 2 2 ARG CB C 13 30.5 0.1 . 1 . . . . 2 ARG CB . 25366 1
23 . 1 1 2 2 ARG CD C 13 43 0.1 . 1 . . . . 2 ARG CD . 25366 1
24 . 1 1 2 2 ARG CG C 13 26.6 0.1 . 1 . . . . 2 ARG CG . 25366 1
25 . 1 1 3 3 PHE H H 1 8.59 0.01 . 1 . . . . 3 PHE H . 25366 1
26 . 1 1 3 3 PHE HA H 1 4.52 0.01 . 1 . . . . 3 PHE HA . 25366 1
27 . 1 1 3 3 PHE HB2 H 1 3.13 0.01 . 2 . . . . 3 PHE HB2 . 25366 1
28 . 1 1 3 3 PHE HB3 H 1 3.13 0.01 . 2 . . . . 3 PHE HB3 . 25366 1
29 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . . 3 PHE HD1 . 25366 1
30 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . . 3 PHE HD2 . 25366 1
31 . 1 1 3 3 PHE CB C 13 38.8 0.1 . 1 . . . . 3 PHE CB . 25366 1
32 . 1 1 4 4 LYS H H 1 8.25 0.01 . 1 . . . . 4 LYS H . 25366 1
33 . 1 1 4 4 LYS HA H 1 4.09 0.01 . 1 . . . . 4 LYS HA . 25366 1
34 . 1 1 4 4 LYS HB2 H 1 1.79 0.01 . 2 . . . . 4 LYS HB2 . 25366 1
35 . 1 1 4 4 LYS HB3 H 1 1.79 0.01 . 2 . . . . 4 LYS HB3 . 25366 1
36 . 1 1 4 4 LYS HD2 H 1 1.7 0.01 . 2 . . . . 4 LYS HD2 . 25366 1
37 . 1 1 4 4 LYS HD3 H 1 1.7 0.01 . 2 . . . . 4 LYS HD3 . 25366 1
38 . 1 1 4 4 LYS HE2 H 1 2.93 0.01 . 2 . . . . 4 LYS HE2 . 25366 1
39 . 1 1 4 4 LYS HE3 H 1 2.93 0.01 . 2 . . . . 4 LYS HE3 . 25366 1
40 . 1 1 4 4 LYS HG2 H 1 1.39 0.01 . 2 . . . . 4 LYS HG2 . 25366 1
41 . 1 1 4 4 LYS HG3 H 1 1.45 0.01 . 2 . . . . 4 LYS HG3 . 25366 1
42 . 1 1 4 4 LYS CD C 13 28.6 0.1 . 1 . . . . 4 LYS CD . 25366 1
43 . 1 1 4 4 LYS CE C 13 41.5 0.1 . 1 . . . . 4 LYS CE . 25366 1
44 . 1 1 4 4 LYS CG C 13 23.8 0.1 . 1 . . . . 4 LYS CG . 25366 1
45 . 1 1 5 5 LYS H H 1 8.23 0.01 . 1 . . . . 5 LYS H . 25366 1
46 . 1 1 5 5 LYS HA H 1 4.09 0.01 . 1 . . . . 5 LYS HA . 25366 1
47 . 1 1 5 5 LYS HB2 H 1 1.75 0.01 . 2 . . . . 5 LYS HB2 . 25366 1
48 . 1 1 5 5 LYS HB3 H 1 1.75 0.01 . 2 . . . . 5 LYS HB3 . 25366 1
49 . 1 1 5 5 LYS HD2 H 1 1.68 0.01 . 2 . . . . 5 LYS HD2 . 25366 1
50 . 1 1 5 5 LYS HD3 H 1 1.68 0.01 . 2 . . . . 5 LYS HD3 . 25366 1
51 . 1 1 5 5 LYS HE2 H 1 2.94 0.01 . 2 . . . . 5 LYS HE2 . 25366 1
52 . 1 1 5 5 LYS HE3 H 1 2.94 0.01 . 2 . . . . 5 LYS HE3 . 25366 1
53 . 1 1 5 5 LYS HG2 H 1 1.28 0.01 . 2 . . . . 5 LYS HG2 . 25366 1
54 . 1 1 5 5 LYS HG3 H 1 1.36 0.01 . 2 . . . . 5 LYS HG3 . 25366 1
55 . 1 1 5 5 LYS CD C 13 28.8 0.1 . 1 . . . . 5 LYS CD . 25366 1
56 . 1 1 5 5 LYS CE C 13 41.6 0.1 . 1 . . . . 5 LYS CE . 25366 1
57 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . 5 LYS CG . 25366 1
58 . 1 1 6 6 PHE H H 1 8.11 0.01 . 1 . . . . 6 PHE H . 25366 1
59 . 1 1 6 6 PHE HA H 1 4.43 0.01 . 1 . . . . 6 PHE HA . 25366 1
60 . 1 1 6 6 PHE HB2 H 1 3.03 0.01 . 2 . . . . 6 PHE HB2 . 25366 1
61 . 1 1 6 6 PHE HB3 H 1 3.1 0.01 . 2 . . . . 6 PHE HB3 . 25366 1
62 . 1 1 6 6 PHE HD1 H 1 7.12 0.01 . 3 . . . . 6 PHE HD1 . 25366 1
63 . 1 1 6 6 PHE HD2 H 1 7.12 0.01 . 3 . . . . 6 PHE HD2 . 25366 1
64 . 1 1 6 6 PHE HE1 H 1 7.24 0.01 . 3 . . . . 6 PHE HE1 . 25366 1
65 . 1 1 6 6 PHE HE2 H 1 7.24 0.01 . 3 . . . . 6 PHE HE2 . 25366 1
66 . 1 1 6 6 PHE HZ H 1 7.2 0.01 . 1 . . . . 6 PHE HZ . 25366 1
67 . 1 1 6 6 PHE CB C 13 38.9 0.1 . 1 . . . . 6 PHE CB . 25366 1
68 . 1 1 7 7 PHE H H 1 8.34 0.01 . 1 . . . . 7 PHE H . 25366 1
69 . 1 1 7 7 PHE HA H 1 4.31 0.01 . 1 . . . . 7 PHE HA . 25366 1
70 . 1 1 7 7 PHE HB2 H 1 3.02 0.01 . 2 . . . . 7 PHE HB2 . 25366 1
71 . 1 1 7 7 PHE HB3 H 1 3.12 0.01 . 2 . . . . 7 PHE HB3 . 25366 1
72 . 1 1 7 7 PHE HD1 H 1 7.24 0.01 . 3 . . . . 7 PHE HD1 . 25366 1
73 . 1 1 7 7 PHE HD2 H 1 7.24 0.01 . 3 . . . . 7 PHE HD2 . 25366 1
74 . 1 1 7 7 PHE HE1 H 1 7.32 0.01 . 3 . . . . 7 PHE HE1 . 25366 1
75 . 1 1 7 7 PHE HE2 H 1 7.32 0.01 . 3 . . . . 7 PHE HE2 . 25366 1
76 . 1 1 7 7 PHE CB C 13 39.1 0.1 . 1 . . . . 7 PHE CB . 25366 1
77 . 1 1 8 8 LYS H H 1 8.12 0.01 . 1 . . . . 8 LYS H . 25366 1
78 . 1 1 8 8 LYS HA H 1 4.02 0.01 . 1 . . . . 8 LYS HA . 25366 1
79 . 1 1 8 8 LYS HB2 H 1 1.81 0.01 . 2 . . . . 8 LYS HB2 . 25366 1
80 . 1 1 8 8 LYS HB3 H 1 1.81 0.01 . 2 . . . . 8 LYS HB3 . 25366 1
81 . 1 1 8 8 LYS HE2 H 1 2.98 0.01 . 2 . . . . 8 LYS HE2 . 25366 1
82 . 1 1 8 8 LYS HE3 H 1 2.98 0.01 . 2 . . . . 8 LYS HE3 . 25366 1
83 . 1 1 8 8 LYS HG2 H 1 1.4 0.01 . 2 . . . . 8 LYS HG2 . 25366 1
84 . 1 1 8 8 LYS HG3 H 1 1.54 0.01 . 2 . . . . 8 LYS HG3 . 25366 1
85 . 1 1 8 8 LYS CG C 13 24.6 0.1 . 1 . . . . 8 LYS CG . 25366 1
86 . 1 1 9 9 LYS H H 1 7.98 0.01 . 1 . . . . 9 LYS H . 25366 1
87 . 1 1 9 9 LYS HA H 1 4.18 0.01 . 1 . . . . 9 LYS HA . 25366 1
88 . 1 1 9 9 LYS HB2 H 1 1.85 0.01 . 2 . . . . 9 LYS HB2 . 25366 1
89 . 1 1 9 9 LYS HB3 H 1 1.85 0.01 . 2 . . . . 9 LYS HB3 . 25366 1
90 . 1 1 9 9 LYS HD2 H 1 1.69 0.01 . 2 . . . . 9 LYS HD2 . 25366 1
91 . 1 1 9 9 LYS HD3 H 1 1.69 0.01 . 2 . . . . 9 LYS HD3 . 25366 1
92 . 1 1 9 9 LYS HG2 H 1 1.4 0.01 . 2 . . . . 9 LYS HG2 . 25366 1
93 . 1 1 9 9 LYS HG3 H 1 1.48 0.01 . 2 . . . . 9 LYS HG3 . 25366 1
94 . 1 1 10 10 VAL H H 1 8.14 0.01 . 1 . . . . 10 VAL H . 25366 1
95 . 1 1 10 10 VAL HA H 1 3.8 0.01 . 1 . . . . 10 VAL HA . 25366 1
96 . 1 1 10 10 VAL HB H 1 2.01 0.01 . 1 . . . . 10 VAL HB . 25366 1
97 . 1 1 10 10 VAL HG11 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 1
98 . 1 1 10 10 VAL HG12 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 1
99 . 1 1 10 10 VAL HG13 H 1 0.86 0.01 . 2 . . . . 10 VAL HG1 . 25366 1
100 . 1 1 10 10 VAL HG21 H 1 0.79 0.01 . 2 . . . . 10 VAL HG2 . 25366 1
101 . 1 1 10 10 VAL HG22 H 1 0.79 0.01 . 2 . . . . 10 VAL HG2 . 25366 1
102 . 1 1 10 10 VAL HG23 H 1 0.79 0.01 . 2 . . . . 10 VAL HG2 . 25366 1
103 . 1 1 10 10 VAL CB C 13 31.9 0.1 . 1 . . . . 10 VAL CB . 25366 1
104 . 1 1 10 10 VAL CG1 C 13 21 0.1 . 1 . . . . 10 VAL CG1 . 25366 1
105 . 1 1 10 10 VAL CG2 C 13 21.1 0.1 . 1 . . . . 10 VAL CG2 . 25366 1
106 . 1 1 11 11 LYS H H 1 8.31 0.01 . 1 . . . . 11 LYS H . 25366 1
107 . 1 1 11 11 LYS HA H 1 4.04 0.01 . 1 . . . . 11 LYS HA . 25366 1
108 . 1 1 11 11 LYS HB2 H 1 1.79 0.01 . 2 . . . . 11 LYS HB2 . 25366 1
109 . 1 1 11 11 LYS HB3 H 1 1.69 0.01 . 2 . . . . 11 LYS HB3 . 25366 1
110 . 1 1 11 11 LYS HD2 H 1 1.66 0.01 . 2 . . . . 11 LYS HD2 . 25366 1
111 . 1 1 11 11 LYS HD3 H 1 1.66 0.01 . 2 . . . . 11 LYS HD3 . 25366 1
112 . 1 1 11 11 LYS HE2 H 1 2.92 0.01 . 2 . . . . 11 LYS HE2 . 25366 1
113 . 1 1 11 11 LYS HE3 H 1 2.92 0.01 . 2 . . . . 11 LYS HE3 . 25366 1
114 . 1 1 11 11 LYS HG2 H 1 1.37 0.01 . 2 . . . . 11 LYS HG2 . 25366 1
115 . 1 1 11 11 LYS HG3 H 1 1.37 0.01 . 2 . . . . 11 LYS HG3 . 25366 1
116 . 1 1 11 11 LYS CB C 13 32.3 0.1 . 1 . . . . 11 LYS CB . 25366 1
117 . 1 1 11 11 LYS CD C 13 28.8 0.1 . 1 . . . . 11 LYS CD . 25366 1
118 . 1 1 11 11 LYS CE C 13 41.5 0.1 . 1 . . . . 11 LYS CE . 25366 1
119 . 1 1 11 11 LYS CG C 13 23.6 0.1 . 1 . . . . 11 LYS CG . 25366 1
120 . 1 1 12 12 LYS H H 1 8.08 0.01 . 1 . . . . 12 LYS H . 25366 1
121 . 1 1 12 12 LYS HA H 1 4.2 0.01 . 1 . . . . 12 LYS HA . 25366 1
122 . 1 1 12 12 LYS HB2 H 1 1.85 0.01 . 2 . . . . 12 LYS HB2 . 25366 1
123 . 1 1 12 12 LYS HB3 H 1 1.85 0.01 . 2 . . . . 12 LYS HB3 . 25366 1
124 . 1 1 12 12 LYS HD2 H 1 1.68 0.01 . 2 . . . . 12 LYS HD2 . 25366 1
125 . 1 1 12 12 LYS HD3 H 1 1.68 0.01 . 2 . . . . 12 LYS HD3 . 25366 1
126 . 1 1 12 12 LYS HE2 H 1 2.96 0.01 . 2 . . . . 12 LYS HE2 . 25366 1
127 . 1 1 12 12 LYS HE3 H 1 2.96 0.01 . 2 . . . . 12 LYS HE3 . 25366 1
128 . 1 1 12 12 LYS HG2 H 1 1.47 0.01 . 2 . . . . 12 LYS HG2 . 25366 1
129 . 1 1 12 12 LYS HG3 H 1 1.47 0.01 . 2 . . . . 12 LYS HG3 . 25366 1
130 . 1 1 12 12 LYS CD C 13 28.6 0.1 . 1 . . . . 12 LYS CD . 25366 1
131 . 1 1 12 12 LYS CE C 13 41.4 0.1 . 1 . . . . 12 LYS CE . 25366 1
132 . 1 1 12 12 LYS CG C 13 24.4 0.1 . 1 . . . . 12 LYS CG . 25366 1
133 . 1 1 13 13 SER H H 1 8.14 0.01 . 1 . . . . 13 SER H . 25366 1
134 . 1 1 13 13 SER HA H 1 4.4 0.01 . 1 . . . . 13 SER HA . 25366 1
135 . 1 1 13 13 SER HB2 H 1 3.88 0.01 . 2 . . . . 13 SER HB2 . 25366 1
136 . 1 1 13 13 SER HB3 H 1 3.88 0.01 . 2 . . . . 13 SER HB3 . 25366 1
137 . 1 1 13 13 SER CB C 13 63.4 0.1 . 1 . . . . 13 SER CB . 25366 1
138 . 1 1 14 14 VAL H H 1 7.96 0.01 . 1 . . . . 14 VAL H . 25366 1
139 . 1 1 14 14 VAL HA H 1 4.1 0.01 . 1 . . . . 14 VAL HA . 25366 1
140 . 1 1 14 14 VAL HB H 1 2.13 0.01 . 1 . . . . 14 VAL HB . 25366 1
141 . 1 1 14 14 VAL HG11 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 1
142 . 1 1 14 14 VAL HG12 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 1
143 . 1 1 14 14 VAL HG13 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 1
144 . 1 1 14 14 VAL HG21 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 1
145 . 1 1 14 14 VAL HG22 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 1
146 . 1 1 14 14 VAL HG23 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 1
147 . 1 1 14 14 VAL CA C 13 61.9 0.1 . 1 . . . . 14 VAL CA . 25366 1
148 . 1 1 14 14 VAL CB C 13 32 0.1 . 1 . . . . 14 VAL CB . 25366 1
149 . 1 1 14 14 VAL CG1 C 13 20 0.1 . 1 . . . . 14 VAL CG1 . 25366 1
150 . 1 1 14 14 VAL CG2 C 13 20.9 0.1 . 1 . . . . 14 VAL CG2 . 25366 1
stop_
save_