Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 25366
_Assigned_chem_shift_list.ID 2
_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 D2O 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
7 '2D 1H-1H COSY' 2 $sample_2 isotropic 25366 2
8 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 25366 2
9 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25366 2
10 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 25366 2
11 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 25366 2
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 2
2 $TOPSPIN . . 25366 2
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 4.01 0.01 . 1 . . . . 1 LYS HA . 25366 2
2 . 1 1 1 1 LYS HB2 H 1 1.9 0.01 . 2 . . . . 1 LYS HB2 . 25366 2
3 . 1 1 1 1 LYS HB3 H 1 1.9 0.01 . 2 . . . . 1 LYS HB3 . 25366 2
4 . 1 1 1 1 LYS HD2 H 1 1.65 0.01 . 2 . . . . 1 LYS HD2 . 25366 2
5 . 1 1 1 1 LYS HD3 H 1 1.65 0.01 . 2 . . . . 1 LYS HD3 . 25366 2
6 . 1 1 1 1 LYS HE2 H 1 2.97 0.01 . 2 . . . . 1 LYS HE2 . 25366 2
7 . 1 1 1 1 LYS HE3 H 1 2.97 0.01 . 2 . . . . 1 LYS HE3 . 25366 2
8 . 1 1 1 1 LYS HG2 H 1 1.46 0.01 . 2 . . . . 1 LYS HG2 . 25366 2
9 . 1 1 1 1 LYS HG3 H 1 1.46 0.01 . 2 . . . . 1 LYS HG3 . 25366 2
10 . 1 1 1 1 LYS CA C 13 55.3 0.1 . 1 . . . . 1 LYS CA . 25366 2
11 . 1 1 1 1 LYS CB C 13 32.5 0.1 . 1 . . . . 1 LYS CB . 25366 2
12 . 1 1 1 1 LYS CD C 13 28.7 0.1 . 1 . . . . 1 LYS CD . 25366 2
13 . 1 1 1 1 LYS CE C 13 41.3 0.1 . 1 . . . . 1 LYS CE . 25366 2
14 . 1 1 1 1 LYS CG C 13 23.9 0.1 . 1 . . . . 1 LYS CG . 25366 2
15 . 1 1 2 2 ARG HA H 1 4.3 0.01 . 1 . . . . 2 ARG HA . 25366 2
16 . 1 1 2 2 ARG HB2 H 1 1.66 0.01 . 2 . . . . 2 ARG HB2 . 25366 2
17 . 1 1 2 2 ARG HB3 H 1 1.66 0.01 . 2 . . . . 2 ARG HB3 . 25366 2
18 . 1 1 2 2 ARG HD2 H 1 3.09 0.01 . 2 . . . . 2 ARG HD2 . 25366 2
19 . 1 1 2 2 ARG HD3 H 1 3.09 0.01 . 2 . . . . 2 ARG HD3 . 25366 2
20 . 1 1 2 2 ARG HG2 H 1 1.46 0.01 . 2 . . . . 2 ARG HG2 . 25366 2
21 . 1 1 2 2 ARG HG3 H 1 1.54 0.01 . 2 . . . . 2 ARG HG3 . 25366 2
22 . 1 1 2 2 ARG CA C 13 56.3 0.1 . 1 . . . . 2 ARG CA . 25366 2
23 . 1 1 2 2 ARG CB C 13 30.4 0.1 . 1 . . . . 2 ARG CB . 25366 2
24 . 1 1 2 2 ARG CD C 13 42.9 0.1 . 1 . . . . 2 ARG CD . 25366 2
25 . 1 1 2 2 ARG CG C 13 26.6 0.1 . 1 . . . . 2 ARG CG . 25366 2
26 . 1 1 3 3 PHE HA H 1 4.5 0.01 . 1 . . . . 3 PHE HA . 25366 2
27 . 1 1 3 3 PHE HB2 H 1 3.15 0.01 . 2 . . . . 3 PHE HB2 . 25366 2
28 . 1 1 3 3 PHE HB3 H 1 3.15 0.01 . 2 . . . . 3 PHE HB3 . 25366 2
29 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . . 3 PHE HD1 . 25366 2
30 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . . 3 PHE HD2 . 25366 2
31 . 1 1 3 3 PHE HE1 H 1 7.27 0.01 . 3 . . . . 3 PHE HE1 . 25366 2
32 . 1 1 3 3 PHE HE2 H 1 7.27 0.01 . 3 . . . . 3 PHE HE2 . 25366 2
33 . 1 1 3 3 PHE CA C 13 58.8 0.1 . 1 . . . . 3 PHE CA . 25366 2
34 . 1 1 3 3 PHE CB C 13 38.5 0.1 . 1 . . . . 3 PHE CB . 25366 2
35 . 1 1 3 3 PHE CD1 C 13 131.9 0.1 . 1 . . . . 3 PHE CD1 . 25366 2
36 . 1 1 3 3 PHE CE1 C 13 131.4 0.1 . 1 . . . . 3 PHE CE1 . 25366 2
37 . 1 1 4 4 LYS HA H 1 4.06 0.01 . 1 . . . . 4 LYS HA . 25366 2
38 . 1 1 4 4 LYS HB2 H 1 1.82 0.01 . 2 . . . . 4 LYS HB2 . 25366 2
39 . 1 1 4 4 LYS HB3 H 1 1.82 0.01 . 2 . . . . 4 LYS HB3 . 25366 2
40 . 1 1 4 4 LYS HD2 H 1 1.7 0.01 . 2 . . . . 4 LYS HD2 . 25366 2
41 . 1 1 4 4 LYS HD3 H 1 1.7 0.01 . 2 . . . . 4 LYS HD3 . 25366 2
42 . 1 1 4 4 LYS HG2 H 1 1.38 0.01 . 2 . . . . 4 LYS HG2 . 25366 2
43 . 1 1 4 4 LYS HG3 H 1 1.48 0.01 . 2 . . . . 4 LYS HG3 . 25366 2
44 . 1 1 4 4 LYS CA C 13 57.8 0.1 . 1 . . . . 4 LYS CA . 25366 2
45 . 1 1 4 4 LYS CB C 13 32.5 0.1 . 1 . . . . 4 LYS CB . 25366 2
46 . 1 1 4 4 LYS CD C 13 28.6 0.1 . 1 . . . . 4 LYS CD . 25366 2
47 . 1 1 4 4 LYS CG C 13 24.8 0.1 . 1 . . . . 4 LYS CG . 25366 2
48 . 1 1 5 5 LYS HA H 1 4.08 0.01 . 1 . . . . 5 LYS HA . 25366 2
49 . 1 1 5 5 LYS HB2 H 1 1.78 0.01 . 2 . . . . 5 LYS HB2 . 25366 2
50 . 1 1 5 5 LYS HB3 H 1 1.78 0.01 . 2 . . . . 5 LYS HB3 . 25366 2
51 . 1 1 5 5 LYS HD2 H 1 1.68 0.01 . 2 . . . . 5 LYS HD2 . 25366 2
52 . 1 1 5 5 LYS HD3 H 1 1.68 0.01 . 2 . . . . 5 LYS HD3 . 25366 2
53 . 1 1 5 5 LYS HE2 H 1 2.93 0.01 . 2 . . . . 5 LYS HE2 . 25366 2
54 . 1 1 5 5 LYS HE3 H 1 2.93 0.01 . 2 . . . . 5 LYS HE3 . 25366 2
55 . 1 1 5 5 LYS HG2 H 1 1.29 0.01 . 2 . . . . 5 LYS HG2 . 25366 2
56 . 1 1 5 5 LYS HG3 H 1 1.37 0.01 . 2 . . . . 5 LYS HG3 . 25366 2
57 . 1 1 5 5 LYS CA C 13 57.7 0.1 . 1 . . . . 5 LYS CA . 25366 2
58 . 1 1 5 5 LYS CB C 13 32 0.1 . 1 . . . . 5 LYS CB . 25366 2
59 . 1 1 5 5 LYS CG C 13 24.6 0.1 . 1 . . . . 5 LYS CG . 25366 2
60 . 1 1 6 6 PHE HA H 1 4.4 0.01 . 1 . . . . 6 PHE HA . 25366 2
61 . 1 1 6 6 PHE HB2 H 1 3.04 0.01 . 2 . . . . 6 PHE HB2 . 25366 2
62 . 1 1 6 6 PHE HB3 H 1 3.15 0.01 . 2 . . . . 6 PHE HB3 . 25366 2
63 . 1 1 6 6 PHE HD1 H 1 7.1 0.01 . 3 . . . . 6 PHE HD1 . 25366 2
64 . 1 1 6 6 PHE HD2 H 1 7.1 0.01 . 3 . . . . 6 PHE HD2 . 25366 2
65 . 1 1 6 6 PHE HE1 H 1 7.22 0.01 . 3 . . . . 6 PHE HE1 . 25366 2
66 . 1 1 6 6 PHE HE2 H 1 7.22 0.01 . 3 . . . . 6 PHE HE2 . 25366 2
67 . 1 1 6 6 PHE HZ H 1 7.18 0.01 . 1 . . . . 6 PHE HZ . 25366 2
68 . 1 1 6 6 PHE CA C 13 59.1 0.1 . 1 . . . . 6 PHE CA . 25366 2
69 . 1 1 6 6 PHE CB C 13 38.7 0.1 . 1 . . . . 6 PHE CB . 25366 2
70 . 1 1 6 6 PHE CD1 C 13 131.9 0.1 . 1 . . . . 6 PHE CD1 . 25366 2
71 . 1 1 6 6 PHE CE1 C 13 131.4 0.1 . 1 . . . . 6 PHE CE1 . 25366 2
72 . 1 1 6 6 PHE CZ C 13 129.7 0.1 . 1 . . . . 6 PHE CZ . 25366 2
73 . 1 1 7 7 PHE HA H 1 4.26 0.01 . 1 . . . . 7 PHE HA . 25366 2
74 . 1 1 7 7 PHE HB2 H 1 3.05 0.01 . 2 . . . . 7 PHE HB2 . 25366 2
75 . 1 1 7 7 PHE HB3 H 1 3.15 0.01 . 2 . . . . 7 PHE HB3 . 25366 2
76 . 1 1 7 7 PHE HD1 H 1 7.24 0.01 . 3 . . . . 7 PHE HD1 . 25366 2
77 . 1 1 7 7 PHE HD2 H 1 7.24 0.01 . 3 . . . . 7 PHE HD2 . 25366 2
78 . 1 1 7 7 PHE HE1 H 1 7.32 0.01 . 3 . . . . 7 PHE HE1 . 25366 2
79 . 1 1 7 7 PHE HE2 H 1 7.32 0.01 . 3 . . . . 7 PHE HE2 . 25366 2
80 . 1 1 7 7 PHE HZ H 1 7.26 0.01 . 1 . . . . 7 PHE HZ . 25366 2
81 . 1 1 7 7 PHE CA C 13 59.1 0.1 . 1 . . . . 7 PHE CA . 25366 2
82 . 1 1 7 7 PHE CB C 13 38.8 0.1 . 1 . . . . 7 PHE CB . 25366 2
83 . 1 1 7 7 PHE CD1 C 13 132 0.1 . 1 . . . . 7 PHE CD1 . 25366 2
84 . 1 1 7 7 PHE CE1 C 13 131.4 0.1 . 1 . . . . 7 PHE CE1 . 25366 2
85 . 1 1 7 7 PHE CZ C 13 129.8 0.1 . 1 . . . . 7 PHE CZ . 25366 2
86 . 1 1 8 8 LYS HA H 1 3.99 0.01 . 1 . . . . 8 LYS HA . 25366 2
87 . 1 1 8 8 LYS HB2 H 1 1.84 0.01 . 2 . . . . 8 LYS HB2 . 25366 2
88 . 1 1 8 8 LYS HB3 H 1 1.84 0.01 . 2 . . . . 8 LYS HB3 . 25366 2
89 . 1 1 8 8 LYS HE2 H 1 2.98 0.01 . 2 . . . . 8 LYS HE2 . 25366 2
90 . 1 1 8 8 LYS HE3 H 1 2.98 0.01 . 2 . . . . 8 LYS HE3 . 25366 2
91 . 1 1 8 8 LYS HG2 H 1 1.43 0.01 . 2 . . . . 8 LYS HG2 . 25366 2
92 . 1 1 8 8 LYS HG3 H 1 1.58 0.01 . 2 . . . . 8 LYS HG3 . 25366 2
93 . 1 1 8 8 LYS CA C 13 57.9 0.1 . 1 . . . . 8 LYS CA . 25366 2
94 . 1 1 8 8 LYS CB C 13 32.2 0.1 . 1 . . . . 8 LYS CB . 25366 2
95 . 1 1 8 8 LYS CG C 13 24.8 0.1 . 1 . . . . 8 LYS CG . 25366 2
96 . 1 1 9 9 LYS HA H 1 4.16 0.01 . 1 . . . . 9 LYS HA . 25366 2
97 . 1 1 9 9 LYS HB2 H 1 1.87 0.01 . 2 . . . . 9 LYS HB2 . 25366 2
98 . 1 1 9 9 LYS HB3 H 1 1.87 0.01 . 2 . . . . 9 LYS HB3 . 25366 2
99 . 1 1 9 9 LYS HD2 H 1 1.7 0.01 . 2 . . . . 9 LYS HD2 . 25366 2
100 . 1 1 9 9 LYS HD3 H 1 1.7 0.01 . 2 . . . . 9 LYS HD3 . 25366 2
101 . 1 1 9 9 LYS HE2 H 1 2.94 0.01 . 2 . . . . 9 LYS HE2 . 25366 2
102 . 1 1 9 9 LYS HE3 H 1 2.94 0.01 . 2 . . . . 9 LYS HE3 . 25366 2
103 . 1 1 9 9 LYS HG2 H 1 1.4 0.01 . 2 . . . . 9 LYS HG2 . 25366 2
104 . 1 1 9 9 LYS HG3 H 1 1.49 0.01 . 2 . . . . 9 LYS HG3 . 25366 2
105 . 1 1 9 9 LYS CA C 13 57.3 0.1 . 1 . . . . 9 LYS CA . 25366 2
106 . 1 1 9 9 LYS CB C 13 32 0.1 . 1 . . . . 9 LYS CB . 25366 2
107 . 1 1 9 9 LYS CG C 13 24.6 0.1 . 1 . . . . 9 LYS CG . 25366 2
108 . 1 1 10 10 VAL HA H 1 3.73 0.01 . 1 . . . . 10 VAL HA . 25366 2
109 . 1 1 10 10 VAL HB H 1 2.01 0.01 . 1 . . . . 10 VAL HB . 25366 2
110 . 1 1 10 10 VAL HG11 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 2
111 . 1 1 10 10 VAL HG12 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 2
112 . 1 1 10 10 VAL HG13 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 2
113 . 1 1 10 10 VAL HG21 H 1 0.76 0.01 . 2 . . . . 10 VAL HG2 . 25366 2
114 . 1 1 10 10 VAL HG22 H 1 0.76 0.01 . 2 . . . . 10 VAL HG2 . 25366 2
115 . 1 1 10 10 VAL HG23 H 1 0.76 0.01 . 2 . . . . 10 VAL HG2 . 25366 2
116 . 1 1 10 10 VAL CB C 13 31.6 0.1 . 1 . . . . 10 VAL CB . 25366 2
117 . 1 1 10 10 VAL CG1 C 13 21.1 0.1 . 1 . . . . 10 VAL CG1 . 25366 2
118 . 1 1 10 10 VAL CG2 C 13 21.4 0.1 . 1 . . . . 10 VAL CG2 . 25366 2
119 . 1 1 11 11 LYS HA H 1 3.98 0.01 . 1 . . . . 11 LYS HA . 25366 2
120 . 1 1 11 11 LYS HB2 H 1 1.79 0.01 . 2 . . . . 11 LYS HB2 . 25366 2
121 . 1 1 11 11 LYS HB3 H 1 1.67 0.01 . 2 . . . . 11 LYS HB3 . 25366 2
122 . 1 1 11 11 LYS HE2 H 1 2.91 0.01 . 2 . . . . 11 LYS HE2 . 25366 2
123 . 1 1 11 11 LYS HE3 H 1 2.91 0.01 . 2 . . . . 11 LYS HE3 . 25366 2
124 . 1 1 11 11 LYS HG2 H 1 1.36 0.01 . 2 . . . . 11 LYS HG2 . 25366 2
125 . 1 1 11 11 LYS HG3 H 1 1.36 0.01 . 2 . . . . 11 LYS HG3 . 25366 2
126 . 1 1 11 11 LYS CA C 13 57.8 0.1 . 1 . . . . 11 LYS CA . 25366 2
127 . 1 1 11 11 LYS CB C 13 32.1 0.1 . 1 . . . . 11 LYS CB . 25366 2
128 . 1 1 11 11 LYS CE C 13 41.2 0.1 . 1 . . . . 11 LYS CE . 25366 2
129 . 1 1 11 11 LYS CG C 13 23.6 0.1 . 1 . . . . 11 LYS CG . 25366 2
130 . 1 1 12 12 LYS HA H 1 4.17 0.01 . 1 . . . . 12 LYS HA . 25366 2
131 . 1 1 12 12 LYS HB2 H 1 1.86 0.01 . 2 . . . . 12 LYS HB2 . 25366 2
132 . 1 1 12 12 LYS HB3 H 1 1.86 0.01 . 2 . . . . 12 LYS HB3 . 25366 2
133 . 1 1 12 12 LYS HD2 H 1 1.69 0.01 . 2 . . . . 12 LYS HD2 . 25366 2
134 . 1 1 12 12 LYS HD3 H 1 1.69 0.01 . 2 . . . . 12 LYS HD3 . 25366 2
135 . 1 1 12 12 LYS HE2 H 1 2.97 0.01 . 2 . . . . 12 LYS HE2 . 25366 2
136 . 1 1 12 12 LYS HE3 H 1 2.97 0.01 . 2 . . . . 12 LYS HE3 . 25366 2
137 . 1 1 12 12 LYS HG2 H 1 1.48 0.01 . 2 . . . . 12 LYS HG2 . 25366 2
138 . 1 1 12 12 LYS HG3 H 1 1.48 0.01 . 2 . . . . 12 LYS HG3 . 25366 2
139 . 1 1 12 12 LYS CA C 13 56.9 0.1 . 1 . . . . 12 LYS CA . 25366 2
140 . 1 1 12 12 LYS CB C 13 32.5 0.1 . 1 . . . . 12 LYS CB . 25366 2
141 . 1 1 12 12 LYS CG C 13 24.3 0.1 . 1 . . . . 12 LYS CG . 25366 2
142 . 1 1 13 13 SER HA H 1 4.38 0.01 . 1 . . . . 13 SER HA . 25366 2
143 . 1 1 13 13 SER HB2 H 1 3.86 0.01 . 2 . . . . 13 SER HB2 . 25366 2
144 . 1 1 13 13 SER HB3 H 1 3.9 0.01 . 2 . . . . 13 SER HB3 . 25366 2
145 . 1 1 13 13 SER CA C 13 59.7 0.1 . 1 . . . . 13 SER CA . 25366 2
146 . 1 1 13 13 SER CB C 13 63.2 0.1 . 1 . . . . 13 SER CB . 25366 2
147 . 1 1 14 14 VAL HA H 1 4.09 0.01 . 1 . . . . 14 VAL HA . 25366 2
148 . 1 1 14 14 VAL HB H 1 2.15 0.01 . 1 . . . . 14 VAL HB . 25366 2
149 . 1 1 14 14 VAL HG11 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 2
150 . 1 1 14 14 VAL HG12 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 2
151 . 1 1 14 14 VAL HG13 H 1 0.96 0.01 . 2 . . . . 14 VAL HG1 . 25366 2
152 . 1 1 14 14 VAL HG21 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 2
153 . 1 1 14 14 VAL HG22 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 2
154 . 1 1 14 14 VAL HG23 H 1 0.96 0.01 . 2 . . . . 14 VAL HG2 . 25366 2
155 . 1 1 14 14 VAL CA C 13 61.9 0.1 . 1 . . . . 14 VAL CA . 25366 2
156 . 1 1 14 14 VAL CB C 13 31.9 0.1 . 1 . . . . 14 VAL CB . 25366 2
157 . 1 1 14 14 VAL CG1 C 13 20.1 0.1 . 1 . . . . 14 VAL CG1 . 25366 2
158 . 1 1 14 14 VAL CG2 C 13 21 0.1 . 1 . . . . 14 VAL CG2 . 25366 2
stop_
save_