Content for NMR-STAR saveframe, "assigned_chem_shift_list_4"
save_assigned_chem_shift_list_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4
_Assigned_chem_shift_list.Entry_ID 25366
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 308K'
_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
12 '2D 1H-1H COSY' 2 $sample_2 isotropic 25366 4
13 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 25366 4
14 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25366 4
15 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 25366 4
16 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 25366 4
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 4
2 $TOPSPIN . . 25366 4
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 4
2 . 1 1 1 1 LYS HB2 H 1 1.89 0.01 . 2 . . . . 1 LYS HB2 . 25366 4
3 . 1 1 1 1 LYS HB3 H 1 1.89 0.01 . 2 . . . . 1 LYS HB3 . 25366 4
4 . 1 1 1 1 LYS HD2 H 1 1.65 0.01 . 2 . . . . 1 LYS HD2 . 25366 4
5 . 1 1 1 1 LYS HD3 H 1 1.65 0.01 . 2 . . . . 1 LYS HD3 . 25366 4
6 . 1 1 1 1 LYS HE2 H 1 2.97 0.01 . 2 . . . . 1 LYS HE2 . 25366 4
7 . 1 1 1 1 LYS HE3 H 1 2.97 0.01 . 2 . . . . 1 LYS HE3 . 25366 4
8 . 1 1 1 1 LYS HG2 H 1 1.45 0.01 . 2 . . . . 1 LYS HG2 . 25366 4
9 . 1 1 1 1 LYS HG3 H 1 1.45 0.01 . 2 . . . . 1 LYS HG3 . 25366 4
10 . 1 1 1 1 LYS CA C 13 55.3 0.1 . 1 . . . . 1 LYS CA . 25366 4
11 . 1 1 1 1 LYS CB C 13 32.6 0.1 . 1 . . . . 1 LYS CB . 25366 4
12 . 1 1 1 1 LYS CD C 13 28.6 0.1 . 1 . . . . 1 LYS CD . 25366 4
13 . 1 1 1 1 LYS CE C 13 41.3 0.1 . 1 . . . . 1 LYS CE . 25366 4
14 . 1 1 1 1 LYS CG C 13 23.8 0.1 . 1 . . . . 1 LYS CG . 25366 4
15 . 1 1 2 2 ARG HA H 1 4.31 0.01 . 1 . . . . 2 ARG HA . 25366 4
16 . 1 1 2 2 ARG HB2 H 1 1.67 0.01 . 2 . . . . 2 ARG HB2 . 25366 4
17 . 1 1 2 2 ARG HB3 H 1 1.67 0.01 . 2 . . . . 2 ARG HB3 . 25366 4
18 . 1 1 2 2 ARG HD2 H 1 3.1 0.01 . 2 . . . . 2 ARG HD2 . 25366 4
19 . 1 1 2 2 ARG HD3 H 1 3.1 0.01 . 2 . . . . 2 ARG HD3 . 25366 4
20 . 1 1 2 2 ARG HG2 H 1 1.47 0.01 . 2 . . . . 2 ARG HG2 . 25366 4
21 . 1 1 2 2 ARG HG3 H 1 1.55 0.01 . 2 . . . . 2 ARG HG3 . 25366 4
22 . 1 1 2 2 ARG CA C 13 56.3 0.1 . 1 . . . . 2 ARG CA . 25366 4
23 . 1 1 2 2 ARG CB C 13 30.5 0.1 . 1 . . . . 2 ARG CB . 25366 4
24 . 1 1 2 2 ARG CD C 13 42.9 0.1 . 1 . . . . 2 ARG CD . 25366 4
25 . 1 1 2 2 ARG CG C 13 26.6 0.1 . 1 . . . . 2 ARG CG . 25366 4
26 . 1 1 3 3 PHE HA H 1 4.51 0.01 . 1 . . . . 3 PHE HA . 25366 4
27 . 1 1 3 3 PHE HB2 H 1 3.15 0.01 . 2 . . . . 3 PHE HB2 . 25366 4
28 . 1 1 3 3 PHE HB3 H 1 3.15 0.01 . 2 . . . . 3 PHE HB3 . 25366 4
29 . 1 1 3 3 PHE HD1 H 1 7.24 0.01 . 3 . . . . 3 PHE HD1 . 25366 4
30 . 1 1 3 3 PHE HD2 H 1 7.24 0.01 . 3 . . . . 3 PHE HD2 . 25366 4
31 . 1 1 3 3 PHE HE1 H 1 7.27 0.01 . 3 . . . . 3 PHE HE1 . 25366 4
32 . 1 1 3 3 PHE HE2 H 1 7.27 0.01 . 3 . . . . 3 PHE HE2 . 25366 4
33 . 1 1 3 3 PHE CA C 13 58.5 0.1 . 1 . . . . 3 PHE CA . 25366 4
34 . 1 1 3 3 PHE CB C 13 38.6 0.1 . 1 . . . . 3 PHE CB . 25366 4
35 . 1 1 3 3 PHE CD1 C 13 131.6 0.1 . 1 . . . . 3 PHE CD1 . 25366 4
36 . 1 1 3 3 PHE CE1 C 13 131.2 0.1 . 1 . . . . 3 PHE CE1 . 25366 4
37 . 1 1 4 4 LYS HA H 1 4.07 0.01 . 1 . . . . 4 LYS HA . 25366 4
38 . 1 1 4 4 LYS HB2 H 1 1.8 0.01 . 2 . . . . 4 LYS HB2 . 25366 4
39 . 1 1 4 4 LYS HB3 H 1 1.8 0.01 . 2 . . . . 4 LYS HB3 . 25366 4
40 . 1 1 4 4 LYS HD2 H 1 1.7 0.01 . 2 . . . . 4 LYS HD2 . 25366 4
41 . 1 1 4 4 LYS HD3 H 1 1.7 0.01 . 2 . . . . 4 LYS HD3 . 25366 4
42 . 1 1 4 4 LYS HG2 H 1 1.37 0.01 . 2 . . . . 4 LYS HG2 . 25366 4
43 . 1 1 4 4 LYS HG3 H 1 1.46 0.01 . 2 . . . . 4 LYS HG3 . 25366 4
44 . 1 1 4 4 LYS CB C 13 32.5 0.1 . 1 . . . . 4 LYS CB . 25366 4
45 . 1 1 4 4 LYS CD C 13 28.6 0.1 . 1 . . . . 4 LYS CD . 25366 4
46 . 1 1 4 4 LYS CG C 13 24.7 0.1 . 1 . . . . 4 LYS CG . 25366 4
47 . 1 1 5 5 LYS HA H 1 4.09 0.01 . 1 . . . . 5 LYS HA . 25366 4
48 . 1 1 5 5 LYS HB2 H 1 1.75 0.01 . 2 . . . . 5 LYS HB2 . 25366 4
49 . 1 1 5 5 LYS HB3 H 1 1.75 0.01 . 2 . . . . 5 LYS HB3 . 25366 4
50 . 1 1 5 5 LYS HD2 H 1 1.67 0.01 . 2 . . . . 5 LYS HD2 . 25366 4
51 . 1 1 5 5 LYS HD3 H 1 1.67 0.01 . 2 . . . . 5 LYS HD3 . 25366 4
52 . 1 1 5 5 LYS HE2 H 1 2.92 0.01 . 2 . . . . 5 LYS HE2 . 25366 4
53 . 1 1 5 5 LYS HE3 H 1 2.92 0.01 . 2 . . . . 5 LYS HE3 . 25366 4
54 . 1 1 5 5 LYS HG2 H 1 1.28 0.01 . 2 . . . . 5 LYS HG2 . 25366 4
55 . 1 1 5 5 LYS HG3 H 1 1.36 0.01 . 2 . . . . 5 LYS HG3 . 25366 4
56 . 1 1 5 5 LYS CB C 13 32.1 0.1 . 1 . . . . 5 LYS CB . 25366 4
57 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . 5 LYS CG . 25366 4
58 . 1 1 6 6 PHE HA H 1 4.41 0.01 . 1 . . . . 6 PHE HA . 25366 4
59 . 1 1 6 6 PHE HB2 H 1 3.03 0.01 . 2 . . . . 6 PHE HB2 . 25366 4
60 . 1 1 6 6 PHE HB3 H 1 3.1 0.01 . 2 . . . . 6 PHE HB3 . 25366 4
61 . 1 1 6 6 PHE HD1 H 1 7.1 0.01 . 3 . . . . 6 PHE HD1 . 25366 4
62 . 1 1 6 6 PHE HD2 H 1 7.1 0.01 . 3 . . . . 6 PHE HD2 . 25366 4
63 . 1 1 6 6 PHE HE1 H 1 7.22 0.01 . 3 . . . . 6 PHE HE1 . 25366 4
64 . 1 1 6 6 PHE HE2 H 1 7.22 0.01 . 3 . . . . 6 PHE HE2 . 25366 4
65 . 1 1 6 6 PHE HZ H 1 7.19 0.01 . 1 . . . . 6 PHE HZ . 25366 4
66 . 1 1 6 6 PHE CA C 13 58.9 0.1 . 1 . . . . 6 PHE CA . 25366 4
67 . 1 1 6 6 PHE CB C 13 39 0.1 . 1 . . . . 6 PHE CB . 25366 4
68 . 1 1 6 6 PHE CD1 C 13 131.4 0.1 . 1 . . . . 6 PHE CD1 . 25366 4
69 . 1 1 6 6 PHE CE1 C 13 130.8 0.1 . 1 . . . . 6 PHE CE1 . 25366 4
70 . 1 1 6 6 PHE CZ C 13 129.5 0.1 . 1 . . . . 6 PHE CZ . 25366 4
71 . 1 1 7 7 PHE HA H 1 4.29 0.01 . 1 . . . . 7 PHE HA . 25366 4
72 . 1 1 7 7 PHE HB2 H 1 3.04 0.01 . 2 . . . . 7 PHE HB2 . 25366 4
73 . 1 1 7 7 PHE HB3 H 1 3.14 0.01 . 2 . . . . 7 PHE HB3 . 25366 4
74 . 1 1 7 7 PHE HD1 H 1 7.24 0.01 . 3 . . . . 7 PHE HD1 . 25366 4
75 . 1 1 7 7 PHE HD2 H 1 7.24 0.01 . 3 . . . . 7 PHE HD2 . 25366 4
76 . 1 1 7 7 PHE HE1 H 1 7.31 0.01 . 3 . . . . 7 PHE HE1 . 25366 4
77 . 1 1 7 7 PHE HE2 H 1 7.31 0.01 . 3 . . . . 7 PHE HE2 . 25366 4
78 . 1 1 7 7 PHE HZ H 1 7.25 0.01 . 1 . . . . 7 PHE HZ . 25366 4
79 . 1 1 7 7 PHE CA C 13 58.9 0.1 . 1 . . . . 7 PHE CA . 25366 4
80 . 1 1 7 7 PHE CB C 13 38.7 0.1 . 1 . . . . 7 PHE CB . 25366 4
81 . 1 1 7 7 PHE CD1 C 13 131.5 0.1 . 1 . . . . 7 PHE CD1 . 25366 4
82 . 1 1 7 7 PHE CE1 C 13 130.9 0.1 . 1 . . . . 7 PHE CE1 . 25366 4
83 . 1 1 7 7 PHE CZ C 13 129.6 0.1 . 1 . . . . 7 PHE CZ . 25366 4
84 . 1 1 8 8 LYS HA H 1 4.02 0.01 . 1 . . . . 8 LYS HA . 25366 4
85 . 1 1 8 8 LYS HB2 H 1 1.82 0.01 . 2 . . . . 8 LYS HB2 . 25366 4
86 . 1 1 8 8 LYS HB3 H 1 1.82 0.01 . 2 . . . . 8 LYS HB3 . 25366 4
87 . 1 1 8 8 LYS HE2 H 1 2.98 0.01 . 2 . . . . 8 LYS HE2 . 25366 4
88 . 1 1 8 8 LYS HE3 H 1 2.98 0.01 . 2 . . . . 8 LYS HE3 . 25366 4
89 . 1 1 8 8 LYS HG2 H 1 1.41 0.01 . 2 . . . . 8 LYS HG2 . 25366 4
90 . 1 1 8 8 LYS HG3 H 1 1.55 0.01 . 2 . . . . 8 LYS HG3 . 25366 4
91 . 1 1 8 8 LYS CB C 13 32.2 0.1 . 1 . . . . 8 LYS CB . 25366 4
92 . 1 1 8 8 LYS CG C 13 24.7 0.1 . 1 . . . . 8 LYS CG . 25366 4
93 . 1 1 9 9 LYS HA H 1 4.17 0.01 . 1 . . . . 9 LYS HA . 25366 4
94 . 1 1 9 9 LYS HB2 H 1 1.86 0.01 . 2 . . . . 9 LYS HB2 . 25366 4
95 . 1 1 9 9 LYS HB3 H 1 1.86 0.01 . 2 . . . . 9 LYS HB3 . 25366 4
96 . 1 1 9 9 LYS HD2 H 1 1.69 0.01 . 2 . . . . 9 LYS HD2 . 25366 4
97 . 1 1 9 9 LYS HD3 H 1 1.69 0.01 . 2 . . . . 9 LYS HD3 . 25366 4
98 . 1 1 9 9 LYS HE2 H 1 2.96 0.01 . 2 . . . . 9 LYS HE2 . 25366 4
99 . 1 1 9 9 LYS HE3 H 1 2.96 0.01 . 2 . . . . 9 LYS HE3 . 25366 4
100 . 1 1 9 9 LYS HG2 H 1 1.41 0.01 . 2 . . . . 9 LYS HG2 . 25366 4
101 . 1 1 9 9 LYS HG3 H 1 1.48 0.01 . 2 . . . . 9 LYS HG3 . 25366 4
102 . 1 1 9 9 LYS CB C 13 32.1 0.1 . 1 . . . . 9 LYS CB . 25366 4
103 . 1 1 9 9 LYS CG C 13 24.6 0.1 . 1 . . . . 9 LYS CG . 25366 4
104 . 1 1 10 10 VAL HA H 1 3.78 0.01 . 1 . . . . 10 VAL HA . 25366 4
105 . 1 1 10 10 VAL HB H 1 2.02 0.01 . 1 . . . . 10 VAL HB . 25366 4
106 . 1 1 10 10 VAL HG11 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 4
107 . 1 1 10 10 VAL HG12 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 4
108 . 1 1 10 10 VAL HG13 H 1 0.85 0.01 . 2 . . . . 10 VAL HG1 . 25366 4
109 . 1 1 10 10 VAL HG21 H 1 0.78 0.01 . 2 . . . . 10 VAL HG2 . 25366 4
110 . 1 1 10 10 VAL HG22 H 1 0.78 0.01 . 2 . . . . 10 VAL HG2 . 25366 4
111 . 1 1 10 10 VAL HG23 H 1 0.78 0.01 . 2 . . . . 10 VAL HG2 . 25366 4
112 . 1 1 10 10 VAL CA C 13 63.8 0.1 . 1 . . . . 10 VAL CA . 25366 4
113 . 1 1 10 10 VAL CB C 13 31.7 0.1 . 1 . . . . 10 VAL CB . 25366 4
114 . 1 1 10 10 VAL CG1 C 13 21 0.1 . 1 . . . . 10 VAL CG1 . 25366 4
115 . 1 1 10 10 VAL CG2 C 13 21.2 0.1 . 1 . . . . 10 VAL CG2 . 25366 4
116 . 1 1 11 11 LYS HA H 1 4.02 0.01 . 1 . . . . 11 LYS HA . 25366 4
117 . 1 1 11 11 LYS HB2 H 1 1.8 0.01 . 2 . . . . 11 LYS HB2 . 25366 4
118 . 1 1 11 11 LYS HB3 H 1 1.68 0.01 . 2 . . . . 11 LYS HB3 . 25366 4
119 . 1 1 11 11 LYS HE2 H 1 2.93 0.01 . 2 . . . . 11 LYS HE2 . 25366 4
120 . 1 1 11 11 LYS HE3 H 1 2.93 0.01 . 2 . . . . 11 LYS HE3 . 25366 4
121 . 1 1 11 11 LYS HG2 H 1 1.37 0.01 . 2 . . . . 11 LYS HG2 . 25366 4
122 . 1 1 11 11 LYS HG3 H 1 1.37 0.01 . 2 . . . . 11 LYS HG3 . 25366 4
123 . 1 1 11 11 LYS CB C 13 32.2 0.1 . 1 . . . . 11 LYS CB . 25366 4
124 . 1 1 11 11 LYS CE C 13 41.3 0.1 . 1 . . . . 11 LYS CE . 25366 4
125 . 1 1 11 11 LYS CG C 13 23.6 0.1 . 1 . . . . 11 LYS CG . 25366 4
126 . 1 1 12 12 LYS HA H 1 4.2 0.01 . 1 . . . . 12 LYS HA . 25366 4
127 . 1 1 12 12 LYS HB2 H 1 1.85 0.01 . 2 . . . . 12 LYS HB2 . 25366 4
128 . 1 1 12 12 LYS HB3 H 1 1.85 0.01 . 2 . . . . 12 LYS HB3 . 25366 4
129 . 1 1 12 12 LYS HD2 H 1 1.68 0.01 . 2 . . . . 12 LYS HD2 . 25366 4
130 . 1 1 12 12 LYS HD3 H 1 1.68 0.01 . 2 . . . . 12 LYS HD3 . 25366 4
131 . 1 1 12 12 LYS HG2 H 1 1.47 0.01 . 2 . . . . 12 LYS HG2 . 25366 4
132 . 1 1 12 12 LYS HG3 H 1 1.47 0.01 . 2 . . . . 12 LYS HG3 . 25366 4
133 . 1 1 12 12 LYS CB C 13 32.5 0.1 . 1 . . . . 12 LYS CB . 25366 4
134 . 1 1 12 12 LYS CG C 13 24.3 0.1 . 1 . . . . 12 LYS CG . 25366 4
135 . 1 1 13 13 SER HA H 1 4.4 0.01 . 1 . . . . 13 SER HA . 25366 4
136 . 1 1 13 13 SER HB2 H 1 3.87 0.01 . 2 . . . . 13 SER HB2 . 25366 4
137 . 1 1 13 13 SER HB3 H 1 3.87 0.01 . 2 . . . . 13 SER HB3 . 25366 4
138 . 1 1 13 13 SER CA C 13 59.4 0.1 . 1 . . . . 13 SER CA . 25366 4
139 . 1 1 13 13 SER CB C 13 63.3 0.1 . 1 . . . . 13 SER CB . 25366 4
140 . 1 1 14 14 VAL HA H 1 4.11 0.01 . 1 . . . . 14 VAL HA . 25366 4
141 . 1 1 14 14 VAL HB H 1 2.13 0.01 . 1 . . . . 14 VAL HB . 25366 4
142 . 1 1 14 14 VAL HG11 H 1 0.95 0.01 . 2 . . . . 14 VAL HG1 . 25366 4
143 . 1 1 14 14 VAL HG12 H 1 0.95 0.01 . 2 . . . . 14 VAL HG1 . 25366 4
144 . 1 1 14 14 VAL HG13 H 1 0.95 0.01 . 2 . . . . 14 VAL HG1 . 25366 4
145 . 1 1 14 14 VAL HG21 H 1 0.95 0.01 . 2 . . . . 14 VAL HG2 . 25366 4
146 . 1 1 14 14 VAL HG22 H 1 0.95 0.01 . 2 . . . . 14 VAL HG2 . 25366 4
147 . 1 1 14 14 VAL HG23 H 1 0.95 0.01 . 2 . . . . 14 VAL HG2 . 25366 4
148 . 1 1 14 14 VAL CA C 13 61.8 0.1 . 1 . . . . 14 VAL CA . 25366 4
149 . 1 1 14 14 VAL CB C 13 32 0.1 . 1 . . . . 14 VAL CB . 25366 4
150 . 1 1 14 14 VAL CG1 C 13 20 0.1 . 1 . . . . 14 VAL CG1 . 25366 4
151 . 1 1 14 14 VAL CG2 C 13 20.9 0.1 . 1 . . . . 14 VAL CG2 . 25366 4
stop_
save_