Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6191
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 6191 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 H H 1 8.24 0.01 . 1 . . . . 1 . . . 6191 1
2 . 1 1 1 1 LYS CA C 13 56.41 0.30 . 1 . . . . 1 . . . 6191 1
3 . 1 1 1 1 LYS HA H 1 4.22 0.01 . 1 . . . . 1 . . . 6191 1
4 . 1 1 1 1 LYS HB2 H 1 1.76 0.01 . 2 . . . . 1 . . . 6191 1
5 . 1 1 1 1 LYS HB3 H 1 1.67 0.01 . 2 . . . . 1 . . . 6191 1
6 . 1 1 1 1 LYS HE2 H 1 3.00 0.01 . 2 . . . . 1 . . . 6191 1
7 . 1 1 2 2 VAL H H 1 7.62 0.01 . 1 . . . . 2 . . . 6191 1
8 . 1 1 2 2 VAL CA C 13 61.06 0.30 . 1 . . . . 2 . . . 6191 1
9 . 1 1 2 2 VAL HA H 1 4.07 0.01 . 1 . . . . 2 . . . 6191 1
10 . 1 1 2 2 VAL HB H 1 1.62 0.01 . 2 . . . . 2 . . . 6191 1
11 . 1 1 2 2 VAL HG21 H 1 0.57 0.01 . 2 . . . . 2 . . . 6191 1
12 . 1 1 2 2 VAL HG22 H 1 0.57 0.01 . 2 . . . . 2 . . . 6191 1
13 . 1 1 2 2 VAL HG23 H 1 0.57 0.01 . 2 . . . . 2 . . . 6191 1
14 . 1 1 3 3 GLY H H 1 8.75 0.01 . 1 . . . . 3 . . . 6191 1
15 . 1 1 3 3 GLY CA C 13 44.77 0.30 . 1 . . . . 3 . . . 6191 1
16 . 1 1 3 3 GLY HA2 H 1 4.21 0.01 . 2 . . . . 3 . . . 6191 1
17 . 1 1 3 3 GLY HA3 H 1 3.73 0.01 . 2 . . . . 3 . . . 6191 1
18 . 1 1 4 4 ARG H H 1 8.49 0.01 . 1 . . . . 4 . . . 6191 1
19 . 1 1 4 4 ARG CA C 13 59.74 0.30 . 1 . . . . 4 . . . 6191 1
20 . 1 1 4 4 ARG HA H 1 4.12 0.01 . 1 . . . . 4 . . . 6191 1
21 . 1 1 4 4 ARG HB3 H 1 1.85 0.01 . 2 . . . . 4 . . . 6191 1
22 . 1 1 4 4 ARG HG2 H 1 1.92 0.01 . 2 . . . . 4 . . . 6191 1
23 . 1 1 4 4 ARG HG3 H 1 1.83 0.01 . 2 . . . . 4 . . . 6191 1
24 . 1 1 4 4 ARG HD2 H 1 3.36 0.01 . 2 . . . . 4 . . . 6191 1
25 . 1 1 4 4 ARG HD3 H 1 3.26 0.01 . 2 . . . . 4 . . . 6191 1
26 . 1 1 5 5 ASN H H 1 8.56 0.01 . 1 . . . . 5 . . . 6191 1
27 . 1 1 5 5 ASN CA C 13 52.51 0.30 . 1 . . . . 5 . . . 6191 1
28 . 1 1 5 5 ASN HA H 1 4.95 0.01 . 1 . . . . 5 . . . 6191 1
29 . 1 1 5 5 ASN HB2 H 1 3.02 0.01 . 1 . . . . 5 . . . 6191 1
30 . 1 1 5 5 ASN HB3 H 1 2.68 0.01 . 1 . . . . 5 . . . 6191 1
31 . 1 1 6 6 ASP H H 1 7.54 0.01 . 1 . . . . 6 . . . 6191 1
32 . 1 1 6 6 ASP CA C 13 53.13 0.30 . 1 . . . . 6 . . . 6191 1
33 . 1 1 6 6 ASP HA H 1 4.85 0.01 . 1 . . . . 6 . . . 6191 1
34 . 1 1 6 6 ASP HB2 H 1 2.74 0.01 . 1 . . . . 6 . . . 6191 1
35 . 1 1 6 6 ASP HB3 H 1 2.65 0.01 . 1 . . . . 6 . . . 6191 1
36 . 1 1 7 7 PRO CA C 13 62.80 0.30 . 1 . . . . 7 . . . 6191 1
37 . 1 1 7 7 PRO HA H 1 4.31 0.01 . 1 . . . . 7 . . . 6191 1
38 . 1 1 7 7 PRO HB2 H 1 2.24 0.01 . 2 . . . . 7 . . . 6191 1
39 . 1 1 7 7 PRO HB3 H 1 1.73 0.01 . 2 . . . . 7 . . . 6191 1
40 . 1 1 7 7 PRO HG2 H 1 2.11 0.01 . 2 . . . . 7 . . . 6191 1
41 . 1 1 7 7 PRO HG3 H 1 1.95 0.01 . 2 . . . . 7 . . . 6191 1
42 . 1 1 7 7 PRO CD C 13 50.05 0.30 . 1 . . . . 7 . . . 6191 1
43 . 1 1 7 7 PRO HD2 H 1 3.88 0.01 . 2 . . . . 7 . . . 6191 1
44 . 1 1 7 7 PRO HD3 H 1 3.54 0.01 . 2 . . . . 7 . . . 6191 1
45 . 1 1 8 8 CYS H H 1 9.18 0.01 . 1 . . . . 8 . . . 6191 1
46 . 1 1 8 8 CYS CA C 13 59.36 0.30 . 1 . . . . 8 . . . 6191 1
47 . 1 1 8 8 CYS HA H 1 4.56 0.01 . 1 . . . . 8 . . . 6191 1
48 . 1 1 8 8 CYS HB2 H 1 3.21 0.01 . 1 . . . . 8 . . . 6191 1
49 . 1 1 8 8 CYS HB3 H 1 2.85 0.01 . 1 . . . . 8 . . . 6191 1
50 . 1 1 9 9 PRO CA C 13 64.59 0.30 . 1 . . . . 9 . . . 6191 1
51 . 1 1 9 9 PRO HA H 1 4.41 0.01 . 1 . . . . 9 . . . 6191 1
52 . 1 1 9 9 PRO HB2 H 1 2.39 0.01 . 2 . . . . 9 . . . 6191 1
53 . 1 1 9 9 PRO HB3 H 1 2.00 0.01 . 2 . . . . 9 . . . 6191 1
54 . 1 1 9 9 PRO HG2 H 1 2.00 0.01 . 2 . . . . 9 . . . 6191 1
55 . 1 1 9 9 PRO HG3 H 1 1.90 0.01 . 2 . . . . 9 . . . 6191 1
56 . 1 1 9 9 PRO CD C 13 53.35 0.30 . 1 . . . . 9 . . . 6191 1
57 . 1 1 9 9 PRO HD2 H 1 4.46 0.01 . 1 . . . . 9 . . . 6191 1
58 . 1 1 9 9 PRO HD3 H 1 3.97 0.01 . 1 . . . . 9 . . . 6191 1
59 . 1 1 10 10 CYS H H 1 7.67 0.01 . 1 . . . . 10 . . . 6191 1
60 . 1 1 10 10 CYS CA C 13 59.55 0.30 . 1 . . . . 10 . . . 6191 1
61 . 1 1 10 10 CYS HA H 1 4.46 0.01 . 1 . . . . 10 . . . 6191 1
62 . 1 1 10 10 CYS HB2 H 1 3.26 0.01 . 1 . . . . 10 . . . 6191 1
63 . 1 1 10 10 CYS HB3 H 1 2.43 0.01 . 1 . . . . 10 . . . 6191 1
64 . 1 1 11 11 GLY H H 1 7.94 0.01 . 1 . . . . 11 . . . 6191 1
65 . 1 1 11 11 GLY CA C 13 45.96 0.30 . 1 . . . . 11 . . . 6191 1
66 . 1 1 11 11 GLY HA2 H 1 4.34 0.01 . 1 . . . . 11 . . . 6191 1
67 . 1 1 11 11 GLY HA3 H 1 3.92 0.01 . 1 . . . . 11 . . . 6191 1
68 . 1 1 12 12 SER H H 1 8.93 0.01 . 1 . . . . 12 . . . 6191 1
69 . 1 1 12 12 SER CA C 13 57.16 0.30 . 1 . . . . 12 . . . 6191 1
70 . 1 1 12 12 SER HA H 1 4.18 0.01 . 1 . . . . 12 . . . 6191 1
71 . 1 1 12 12 SER CB C 13 63.30 0.30 . 1 . . . . 12 . . . 6191 1
72 . 1 1 12 12 SER HB2 H 1 4.22 0.01 . 2 . . . . 12 . . . 6191 1
73 . 1 1 12 12 SER HB3 H 1 3.90 0.01 . 2 . . . . 12 . . . 6191 1
74 . 1 1 13 13 GLY H H 1 9.43 0.01 . 1 . . . . 13 . . . 6191 1
75 . 1 1 13 13 GLY CA C 13 44.95 0.30 . 1 . . . . 13 . . . 6191 1
76 . 1 1 13 13 GLY HA2 H 1 4.35 0.01 . 1 . . . . 13 . . . 6191 1
77 . 1 1 13 13 GLY HA3 H 1 3.60 0.01 . 1 . . . . 13 . . . 6191 1
78 . 1 1 14 14 LYS H H 1 7.86 0.01 . 1 . . . . 14 . . . 6191 1
79 . 1 1 14 14 LYS CA C 13 54.90 0.30 . 1 . . . . 14 . . . 6191 1
80 . 1 1 14 14 LYS HA H 1 4.45 0.01 . 1 . . . . 14 . . . 6191 1
81 . 1 1 14 14 LYS HB2 H 1 1.88 0.01 . 2 . . . . 14 . . . 6191 1
82 . 1 1 14 14 LYS HB3 H 1 1.53 0.01 . 2 . . . . 14 . . . 6191 1
83 . 1 1 14 14 LYS HG2 H 1 1.40 0.01 . 2 . . . . 14 . . . 6191 1
84 . 1 1 14 14 LYS HD2 H 1 1.67 0.01 . 2 . . . . 14 . . . 6191 1
85 . 1 1 14 14 LYS HE2 H 1 2.99 0.01 . 2 . . . . 14 . . . 6191 1
86 . 1 1 15 15 LYS H H 1 8.50 0.01 . 1 . . . . 15 . . . 6191 1
87 . 1 1 15 15 LYS CA C 13 56.34 0.30 . 1 . . . . 15 . . . 6191 1
88 . 1 1 15 15 LYS HA H 1 4.32 0.01 . 1 . . . . 15 . . . 6191 1
89 . 1 1 15 15 LYS HB2 H 1 1.70 0.01 . 2 . . . . 15 . . . 6191 1
90 . 1 1 15 15 LYS HB3 H 1 1.57 0.01 . 2 . . . . 15 . . . 6191 1
91 . 1 1 15 15 LYS HG2 H 1 2.05 0.01 . 2 . . . . 15 . . . 6191 1
92 . 1 1 15 15 LYS HD2 H 1 1.41 0.01 . 2 . . . . 15 . . . 6191 1
93 . 1 1 15 15 LYS HE2 H 1 3.04 0.01 . 2 . . . . 15 . . . 6191 1
94 . 1 1 16 16 TYR H H 1 9.56 0.01 . 1 . . . . 16 . . . 6191 1
95 . 1 1 16 16 TYR CA C 13 61.69 0.30 . 1 . . . . 16 . . . 6191 1
96 . 1 1 16 16 TYR HA H 1 4.53 0.01 . 1 . . . . 16 . . . 6191 1
97 . 1 1 16 16 TYR HB2 H 1 3.26 0.01 . 1 . . . . 16 . . . 6191 1
98 . 1 1 16 16 TYR HB3 H 1 3.10 0.01 . 1 . . . . 16 . . . 6191 1
99 . 1 1 16 16 TYR HD1 H 1 7.54 0.01 . 2 . . . . 16 . . . 6191 1
100 . 1 1 16 16 TYR HE1 H 1 6.80 0.01 . 2 . . . . 16 . . . 6191 1
101 . 1 1 17 17 LYS H H 1 8.73 0.01 . 1 . . . . 17 . . . 6191 1
102 . 1 1 17 17 LYS CA C 13 57.66 0.30 . 1 . . . . 17 . . . 6191 1
103 . 1 1 17 17 LYS HA H 1 3.82 0.01 . 1 . . . . 17 . . . 6191 1
104 . 1 1 17 17 LYS HB2 H 1 2.02 0.01 . 2 . . . . 17 . . . 6191 1
105 . 1 1 17 17 LYS HB3 H 1 1.75 0.01 . 2 . . . . 17 . . . 6191 1
106 . 1 1 17 17 LYS HG2 H 1 1.35 0.01 . 2 . . . . 17 . . . 6191 1
107 . 1 1 17 17 LYS HG3 H 1 1.16 0.01 . 2 . . . . 17 . . . 6191 1
108 . 1 1 17 17 LYS HD2 H 1 1.58 0.01 . 2 . . . . 17 . . . 6191 1
109 . 1 1 17 17 LYS HE2 H 1 2.95 0.01 . 2 . . . . 17 . . . 6191 1
110 . 1 1 17 17 LYS HE3 H 1 2.81 0.01 . 2 . . . . 17 . . . 6191 1
111 . 1 1 18 18 GLN H H 1 7.61 0.01 . 1 . . . . 18 . . . 6191 1
112 . 1 1 18 18 GLN CA C 13 54.52 0.30 . 1 . . . . 18 . . . 6191 1
113 . 1 1 18 18 GLN HA H 1 4.46 0.01 . 1 . . . . 18 . . . 6191 1
114 . 1 1 18 18 GLN HB2 H 1 2.32 0.01 . 2 . . . . 18 . . . 6191 1
115 . 1 1 18 18 GLN HB3 H 1 2.03 0.01 . 2 . . . . 18 . . . 6191 1
116 . 1 1 18 18 GLN HG2 H 1 2.43 0.01 . 2 . . . . 18 . . . 6191 1
117 . 1 1 18 18 GLN HG3 H 1 2.18 0.01 . 2 . . . . 18 . . . 6191 1
118 . 1 1 19 19 CYS H H 1 7.81 0.01 . 1 . . . . 19 . . . 6191 1
119 . 1 1 19 19 CYS CA C 13 60.50 0.30 . 1 . . . . 19 . . . 6191 1
120 . 1 1 19 19 CYS HA H 1 4.50 0.01 . 1 . . . . 19 . . . 6191 1
121 . 1 1 19 19 CYS HB2 H 1 3.05 0.01 . 1 . . . . 19 . . . 6191 1
122 . 1 1 19 19 CYS HB3 H 1 2.50 0.01 . 1 . . . . 19 . . . 6191 1
123 . 1 1 20 20 HIS H H 1 8.89 0.01 . 1 . . . . 20 . . . 6191 1
124 . 1 1 20 20 HIS CA C 13 61.15 0.30 . 1 . . . . 20 . . . 6191 1
125 . 1 1 20 20 HIS HA H 1 4.34 0.01 . 1 . . . . 20 . . . 6191 1
126 . 1 1 20 20 HIS HB2 H 1 3.52 0.01 . 2 . . . . 20 . . . 6191 1
127 . 1 1 20 20 HIS HB3 H 1 3.11 0.01 . 2 . . . . 20 . . . 6191 1
128 . 1 1 20 20 HIS HD2 H 1 7.35 0.01 . 2 . . . . 20 . . . 6191 1
129 . 1 1 20 20 HIS HE1 H 1 7.97 0.01 . 2 . . . . 20 . . . 6191 1
130 . 1 1 21 21 GLY H H 1 7.95 0.01 . 1 . . . . 21 . . . 6191 1
131 . 1 1 21 21 GLY CA C 13 44.07 0.30 . 1 . . . . 21 . . . 6191 1
132 . 1 1 21 21 GLY HA2 H 1 3.79 0.01 . 1 . . . . 21 . . . 6191 1
133 . 1 1 21 21 GLY HA3 H 1 1.71 0.01 . 1 . . . . 21 . . . 6191 1
134 . 1 1 22 22 ARG H H 1 6.67 0.01 . 1 . . . . 22 . . . 6191 1
135 . 1 1 22 22 ARG CA C 13 57.85 0.30 . 1 . . . . 22 . . . 6191 1
136 . 1 1 22 22 ARG HA H 1 3.99 0.01 . 1 . . . . 22 . . . 6191 1
137 . 1 1 22 22 ARG HB2 H 1 1.60 0.01 . 2 . . . . 22 . . . 6191 1
138 . 1 1 22 22 ARG HG2 H 1 1.54 0.01 . 2 . . . . 22 . . . 6191 1
139 . 1 1 22 22 ARG HG3 H 1 1.44 0.01 . 2 . . . . 22 . . . 6191 1
140 . 1 1 22 22 ARG HD2 H 1 3.11 0.01 . 2 . . . . 22 . . . 6191 1
stop_
save_