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 5249
_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
_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 . 5249 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 ALA CA C 13 53.88 0.18 . 1 . . . . . . . . 5249 1
2 . 1 1 1 1 ALA HA H 1 4.015 0.013 . 1 . . . . . . . . 5249 1
3 . 1 1 2 2 ASN N N 15 114.75 0.07 . 1 . . . . . . . . 5249 1
4 . 1 1 2 2 ASN H H 1 8.348 0.013 . 1 . . . . . . . . 5249 1
5 . 1 1 2 2 ASN CA C 13 54.77 0.18 . 1 . . . . . . . . 5249 1
6 . 1 1 2 2 ASN HA H 1 4.763 0.013 . 1 . . . . . . . . 5249 1
7 . 1 1 3 3 GLU N N 15 121.53 0.07 . 1 . . . . . . . . 5249 1
8 . 1 1 3 3 GLU H H 1 9.002 0.013 . 1 . . . . . . . . 5249 1
9 . 1 1 3 3 GLU CA C 13 60.97 0.18 . 1 . . . . . . . . 5249 1
10 . 1 1 3 3 GLU HA H 1 3.383 0.013 . 1 . . . . . . . . 5249 1
11 . 1 1 4 4 GLY N N 15 114.86 0.07 . 1 . . . . . . . . 5249 1
12 . 1 1 4 4 GLY H H 1 8.961 0.013 . 1 . . . . . . . . 5249 1
13 . 1 1 4 4 GLY CA C 13 47.31 0.18 . 1 . . . . . . . . 5249 1
14 . 1 1 4 4 GLY HA2 H 1 3.385 0.013 . 1 . . . . . . . . 5249 1
15 . 1 1 4 4 GLY HA3 H 1 4.353 0.013 . 1 . . . . . . . . 5249 1
16 . 1 1 5 5 ASP N N 15 121.77 0.07 . 1 . . . . . . . . 5249 1
17 . 1 1 5 5 ASP H H 1 7.984 0.013 . 1 . . . . . . . . 5249 1
18 . 1 1 5 5 ASP CA C 13 57.64 0.18 . 1 . . . . . . . . 5249 1
19 . 1 1 5 5 ASP HA H 1 4.445 0.013 . 1 . . . . . . . . 5249 1
20 . 1 1 6 6 VAL N N 15 121.8 0.07 . 1 . . . . . . . . 5249 1
21 . 1 1 6 6 VAL H H 1 8.686 0.013 . 1 . . . . . . . . 5249 1
22 . 1 1 6 6 VAL CA C 13 63.51 0.18 . 1 . . . . . . . . 5249 1
23 . 1 1 6 6 VAL HA H 1 4.887 0.013 . 1 . . . . . . . . 5249 1
24 . 1 1 7 7 TYR N N 15 125.99 0.07 . 1 . . . . . . . . 5249 1
25 . 1 1 7 7 TYR H H 1 8.975 0.013 . 1 . . . . . . . . 5249 1
26 . 1 1 7 7 TYR CA C 13 59.35 0.18 . 1 . . . . . . . . 5249 1
27 . 1 1 7 7 TYR HA H 1 4.846 0.013 . 1 . . . . . . . . 5249 1
28 . 1 1 8 8 LYS N N 15 121.44 0.07 . 1 . . . . . . . . 5249 1
29 . 1 1 8 8 LYS H H 1 8.828 0.013 . 1 . . . . . . . . 5249 1
30 . 1 1 8 8 LYS CA C 13 55.98 0.18 . 1 . . . . . . . . 5249 1
31 . 1 1 8 8 LYS HA H 1 5.316 0.013 . 1 . . . . . . . . 5249 1
32 . 1 1 9 9 CYS N N 15 129.21 0.07 . 1 . . . . . . . . 5249 1
33 . 1 1 9 9 CYS H H 1 9.217 0.013 . 1 . . . . . . . . 5249 1
34 . 1 1 9 9 CYS CA C 13 59.74 0.18 . 1 . . . . . . . . 5249 1
35 . 1 1 9 9 CYS HA H 1 4.698 0.013 . 1 . . . . . . . . 5249 1
36 . 1 1 10 10 GLU N N 15 129.02 0.07 . 1 . . . . . . . . 5249 1
37 . 1 1 10 10 GLU H H 1 9.348 0.013 . 1 . . . . . . . . 5249 1
38 . 1 1 10 10 GLU CA C 13 60.26 0.18 . 1 . . . . . . . . 5249 1
39 . 1 1 10 10 GLU HA H 1 4.035 0.013 . 1 . . . . . . . . 5249 1
40 . 1 1 11 11 LEU N N 15 122.76 0.07 . 1 . . . . . . . . 5249 1
41 . 1 1 11 11 LEU H H 1 8.903 0.013 . 1 . . . . . . . . 5249 1
42 . 1 1 11 11 LEU CA C 13 60.51 0.18 . 1 . . . . . . . . 5249 1
43 . 1 1 11 11 LEU HA H 1 4.327 0.013 . 1 . . . . . . . . 5249 1
44 . 1 1 12 12 CYS N N 15 120.27 0.07 . 1 . . . . . . . . 5249 1
45 . 1 1 12 12 CYS H H 1 9.113 0.013 . 1 . . . . . . . . 5249 1
46 . 1 1 12 12 CYS CA C 13 61.37 0.18 . 1 . . . . . . . . 5249 1
47 . 1 1 12 12 CYS HA H 1 4.839 0.013 . 1 . . . . . . . . 5249 1
48 . 1 1 13 13 GLY N N 15 113.14 0.07 . 1 . . . . . . . . 5249 1
49 . 1 1 13 13 GLY H H 1 7.572 0.013 . 1 . . . . . . . . 5249 1
50 . 1 1 13 13 GLY CA C 13 48.06 0.18 . 1 . . . . . . . . 5249 1
51 . 1 1 13 13 GLY HA2 H 1 4.101 0.013 . 1 . . . . . . . . 5249 1
52 . 1 1 13 13 GLY HA3 H 1 3.558 0.013 . 1 . . . . . . . . 5249 1
53 . 1 1 14 14 GLN N N 15 123.63 0.07 . 1 . . . . . . . . 5249 1
54 . 1 1 14 14 GLN H H 1 8.435 0.013 . 1 . . . . . . . . 5249 1
55 . 1 1 14 14 GLN CA C 13 60.48 0.18 . 1 . . . . . . . . 5249 1
56 . 1 1 14 14 GLN HA H 1 3.892 0.013 . 1 . . . . . . . . 5249 1
57 . 1 1 15 15 VAL N N 15 123.55 0.07 . 1 . . . . . . . . 5249 1
58 . 1 1 15 15 VAL H H 1 8.449 0.013 . 1 . . . . . . . . 5249 1
59 . 1 1 15 15 VAL CA C 13 63.2 0.18 . 1 . . . . . . . . 5249 1
60 . 1 1 15 15 VAL HA H 1 5.044 0.013 . 1 . . . . . . . . 5249 1
61 . 1 1 16 16 VAL N N 15 118.34 0.07 . 1 . . . . . . . . 5249 1
62 . 1 1 16 16 VAL H H 1 9.354 0.013 . 1 . . . . . . . . 5249 1
63 . 1 1 16 16 VAL CA C 13 60 0.18 . 1 . . . . . . . . 5249 1
64 . 1 1 16 16 VAL HA H 1 5.433 0.013 . 1 . . . . . . . . 5249 1
65 . 1 1 17 17 LYS N N 15 121.04 0.07 . 1 . . . . . . . . 5249 1
66 . 1 1 17 17 LYS H H 1 9.041 0.013 . 1 . . . . . . . . 5249 1
67 . 1 1 17 17 LYS CA C 13 55.7 0.18 . 1 . . . . . . . . 5249 1
68 . 1 1 17 17 LYS HA H 1 5.373 0.013 . 1 . . . . . . . . 5249 1
69 . 1 1 18 18 VAL N N 15 126.2 0.07 . 1 . . . . . . . . 5249 1
70 . 1 1 18 18 VAL H H 1 9.031 0.013 . 1 . . . . . . . . 5249 1
71 . 1 1 18 18 VAL CA C 13 66.28 0.18 . 1 . . . . . . . . 5249 1
72 . 1 1 18 18 VAL HA H 1 3.966 0.013 . 1 . . . . . . . . 5249 1
73 . 1 1 19 19 LEU N N 15 131.17 0.07 . 1 . . . . . . . . 5249 1
74 . 1 1 19 19 LEU H H 1 9.383 0.013 . 1 . . . . . . . . 5249 1
75 . 1 1 19 19 LEU CA C 13 58.11 0.18 . 1 . . . . . . . . 5249 1
76 . 1 1 19 19 LEU HA H 1 4.403 0.013 . 1 . . . . . . . . 5249 1
77 . 1 1 20 20 GLU N N 15 116.39 0.07 . 1 . . . . . . . . 5249 1
78 . 1 1 20 20 GLU H H 1 7.566 0.013 . 1 . . . . . . . . 5249 1
79 . 1 1 20 20 GLU CA C 13 57.26 0.18 . 1 . . . . . . . . 5249 1
80 . 1 1 20 20 GLU HA H 1 4.588 0.013 . 1 . . . . . . . . 5249 1
81 . 1 1 21 21 GLU N N 15 123.03 0.07 . 1 . . . . . . . . 5249 1
82 . 1 1 21 21 GLU H H 1 8.698 0.013 . 1 . . . . . . . . 5249 1
83 . 1 1 21 21 GLU CA C 13 58.7 0.18 . 1 . . . . . . . . 5249 1
84 . 1 1 21 21 GLU HA H 1 4.084 0.013 . 1 . . . . . . . . 5249 1
85 . 1 1 22 22 GLY N N 15 106.54 0.07 . 1 . . . . . . . . 5249 1
86 . 1 1 22 22 GLY H H 1 7.21 0.013 . 1 . . . . . . . . 5249 1
87 . 1 1 22 22 GLY CA C 13 47.18 0.18 . 1 . . . . . . . . 5249 1
88 . 1 1 22 22 GLY HA2 H 1 3.891 0.013 . 1 . . . . . . . . 5249 1
89 . 1 1 22 22 GLY HA3 H 1 4.124 0.013 . 1 . . . . . . . . 5249 1
90 . 1 1 23 23 GLY N N 15 102.81 0.07 . 1 . . . . . . . . 5249 1
91 . 1 1 23 23 GLY H H 1 7.905 0.013 . 1 . . . . . . . . 5249 1
92 . 1 1 23 23 GLY CA C 13 47.93 0.18 . 1 . . . . . . . . 5249 1
93 . 1 1 23 23 GLY HA2 H 1 3.541 0.013 . 1 . . . . . . . . 5249 1
94 . 1 1 23 23 GLY HA3 H 1 3.948 0.013 . 1 . . . . . . . . 5249 1
95 . 1 1 24 24 GLY N N 15 112.57 0.07 . 1 . . . . . . . . 5249 1
96 . 1 1 24 24 GLY H H 1 8.504 0.013 . 1 . . . . . . . . 5249 1
97 . 1 1 24 24 GLY CA C 13 49.08 0.18 . 1 . . . . . . . . 5249 1
98 . 1 1 24 24 GLY HA2 H 1 3.794 0.013 . 1 . . . . . . . . 5249 1
99 . 1 1 24 24 GLY HA3 H 1 4.707 0.013 . 1 . . . . . . . . 5249 1
100 . 1 1 25 25 THR N N 15 120.05 0.07 . 1 . . . . . . . . 5249 1
101 . 1 1 25 25 THR H H 1 8.807 0.013 . 1 . . . . . . . . 5249 1
102 . 1 1 25 25 THR CA C 13 64.35 0.18 . 1 . . . . . . . . 5249 1
103 . 1 1 25 25 THR HA H 1 4.035 0.013 . 1 . . . . . . . . 5249 1
104 . 1 1 26 26 LEU N N 15 126.99 0.07 . 1 . . . . . . . . 5249 1
105 . 1 1 26 26 LEU H H 1 8.017 0.013 . 1 . . . . . . . . 5249 1
106 . 1 1 27 27 VAL N N 15 128.92 0.07 . 1 . . . . . . . . 5249 1
107 . 1 1 27 27 VAL H H 1 9.247 0.013 . 1 . . . . . . . . 5249 1
108 . 1 1 27 27 VAL CA C 13 63.47 0.18 . 1 . . . . . . . . 5249 1
109 . 1 1 27 27 VAL HA H 1 4.264 0.013 . 1 . . . . . . . . 5249 1
110 . 1 1 28 28 CYS N N 15 126.99 0.07 . 1 . . . . . . . . 5249 1
111 . 1 1 28 28 CYS H H 1 8.255 0.013 . 1 . . . . . . . . 5249 1
112 . 1 1 29 29 CYS N N 15 123.88 0.07 . 1 . . . . . . . . 5249 1
113 . 1 1 29 29 CYS H H 1 7.154 0.013 . 1 . . . . . . . . 5249 1
114 . 1 1 29 29 CYS CA C 13 65.66 0.18 . 1 . . . . . . . . 5249 1
115 . 1 1 29 29 CYS HA H 1 3.859 0.013 . 1 . . . . . . . . 5249 1
116 . 1 1 30 30 GLY N N 15 101.5 0.07 . 1 . . . . . . . . 5249 1
117 . 1 1 30 30 GLY H H 1 8.141 0.013 . 1 . . . . . . . . 5249 1
118 . 1 1 30 30 GLY CA C 13 47.74 0.18 . 1 . . . . . . . . 5249 1
119 . 1 1 30 30 GLY HA2 H 1 3.268 0.013 . 1 . . . . . . . . 5249 1
120 . 1 1 30 30 GLY HA3 H 1 3.892 0.013 . 1 . . . . . . . . 5249 1
121 . 1 1 31 31 GLU N N 15 121.24 0.07 . 1 . . . . . . . . 5249 1
122 . 1 1 31 31 GLU H H 1 7.98 0.013 . 1 . . . . . . . . 5249 1
123 . 1 1 31 31 GLU CA C 13 56.15 0.18 . 1 . . . . . . . . 5249 1
124 . 1 1 31 31 GLU HA H 1 4.661 0.013 . 1 . . . . . . . . 5249 1
125 . 1 1 32 32 ASP N N 15 126.82 0.07 . 1 . . . . . . . . 5249 1
126 . 1 1 32 32 ASP H H 1 8.756 0.013 . 1 . . . . . . . . 5249 1
127 . 1 1 33 33 MET N N 15 121.92 0.07 . 1 . . . . . . . . 5249 1
128 . 1 1 33 33 MET H H 1 8.327 0.013 . 1 . . . . . . . . 5249 1
129 . 1 1 34 34 VAL N N 15 123.03 0.07 . 1 . . . . . . . . 5249 1
130 . 1 1 34 34 VAL H H 1 9.23 0.013 . 1 . . . . . . . . 5249 1
131 . 1 1 34 34 VAL CA C 13 64.73 0.18 . 1 . . . . . . . . 5249 1
132 . 1 1 34 34 VAL HA H 1 4.121 0.013 . 1 . . . . . . . . 5249 1
133 . 1 1 35 35 LYS N N 15 134.19 0.07 . 1 . . . . . . . . 5249 1
134 . 1 1 35 35 LYS H H 1 8.803 0.013 . 1 . . . . . . . . 5249 1
135 . 1 1 35 35 LYS CA C 13 59.83 0.18 . 1 . . . . . . . . 5249 1
136 . 1 1 35 35 LYS HA H 1 3.255 0.013 . 1 . . . . . . . . 5249 1
137 . 1 1 36 36 GLN N N 15 132.1 0.07 . 1 . . . . . . . . 5249 1
138 . 1 1 36 36 GLN H H 1 8.688 0.013 . 1 . . . . . . . . 5249 1
139 . 1 1 36 36 GLN CA C 13 57.95 0.18 . 1 . . . . . . . . 5249 1
140 . 1 1 36 36 GLN HA H 1 3.911 0.013 . 1 . . . . . . . . 5249 1
stop_
save_