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 6329
_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 . 6329 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 HA H 1 3.966 0.003 . . . . . . . . . . 6329 1
2 . 1 1 1 1 ALA HB1 H 1 1.388 0.001 . . . . . . . . . . 6329 1
3 . 1 1 1 1 ALA HB2 H 1 1.388 0.001 . . . . . . . . . . 6329 1
4 . 1 1 1 1 ALA HB3 H 1 1.388 0.001 . . . . . . . . . . 6329 1
5 . 1 1 2 2 VAL H H 1 9.100 0.000 . . . . . . . . . . 6329 1
6 . 1 1 2 2 VAL HA H 1 2.261 0.001 . . . . . . . . . . 6329 1
7 . 1 1 2 2 VAL HB H 1 1.692 0.001 . . . . . . . . . . 6329 1
8 . 1 1 2 2 VAL HG11 H 1 0.785 0.002 . . . . . . . . . . 6329 1
9 . 1 1 2 2 VAL HG12 H 1 0.785 0.002 . . . . . . . . . . 6329 1
10 . 1 1 2 2 VAL HG13 H 1 0.785 0.002 . . . . . . . . . . 6329 1
11 . 1 1 2 2 VAL HG21 H 1 0.900 0.002 . . . . . . . . . . 6329 1
12 . 1 1 2 2 VAL HG22 H 1 0.900 0.002 . . . . . . . . . . 6329 1
13 . 1 1 2 2 VAL HG23 H 1 0.900 0.002 . . . . . . . . . . 6329 1
14 . 1 1 3 3 SER H H 1 7.762 0.000 . . . . . . . . . . 6329 1
15 . 1 1 3 3 SER HA H 1 4.189 0.000 . . . . . . . . . . 6329 1
16 . 1 1 3 3 SER HB2 H 1 3.888 0.000 . . . . . . . . . . 6329 1
17 . 1 1 3 3 SER HB3 H 1 3.799 0.000 . . . . . . . . . . 6329 1
18 . 1 1 4 4 ALA H H 1 7.424 0.000 . . . . . . . . . . 6329 1
19 . 1 1 4 4 ALA HA H 1 4.593 0.000 . . . . . . . . . . 6329 1
20 . 1 1 4 4 ALA HB1 H 1 1.386 0.000 . . . . . . . . . . 6329 1
21 . 1 1 4 4 ALA HB2 H 1 1.386 0.000 . . . . . . . . . . 6329 1
22 . 1 1 4 4 ALA HB3 H 1 1.386 0.000 . . . . . . . . . . 6329 1
23 . 1 1 5 5 CYS H H 1 7.399 0.001 . . . . . . . . . . 6329 1
24 . 1 1 5 5 CYS HA H 1 4.027 0.000 . . . . . . . . . . 6329 1
25 . 1 1 5 5 CYS HB2 H 1 2.929 0.001 . . . . . . . . . . 6329 1
26 . 1 1 5 5 CYS HB3 H 1 2.836 0.001 . . . . . . . . . . 6329 1
27 . 1 1 6 6 ALA HA H 1 4.388 0.002 . . . . . . . . . . 6329 1
28 . 1 1 6 6 ALA HB1 H 1 1.528 0.000 . . . . . . . . . . 6329 1
29 . 1 1 6 6 ALA HB2 H 1 1.528 0.000 . . . . . . . . . . 6329 1
30 . 1 1 6 6 ALA HB3 H 1 1.528 0.000 . . . . . . . . . . 6329 1
31 . 1 1 7 7 LEU H H 1 9.048 0.001 . . . . . . . . . . 6329 1
32 . 1 1 7 7 LEU HA H 1 4.679 0.001 . . . . . . . . . . 6329 1
33 . 1 1 7 7 LEU HB2 H 1 2.118 0.001 . . . . . . . . . . 6329 1
34 . 1 1 7 7 LEU HG H 1 1.478 0.002 . . . . . . . . . . 6329 1
35 . 1 1 7 7 LEU HD11 H 1 0.683 0.000 . . . . . . . . . . 6329 1
36 . 1 1 7 7 LEU HD12 H 1 0.683 0.000 . . . . . . . . . . 6329 1
37 . 1 1 7 7 LEU HD13 H 1 0.683 0.000 . . . . . . . . . . 6329 1
38 . 1 1 7 7 LEU HD21 H 1 0.381 0.000 . . . . . . . . . . 6329 1
39 . 1 1 7 7 LEU HD22 H 1 0.381 0.000 . . . . . . . . . . 6329 1
40 . 1 1 7 7 LEU HD23 H 1 0.381 0.000 . . . . . . . . . . 6329 1
41 . 1 1 8 8 PRO HA H 1 4.269 0.000 . . . . . . . . . . 6329 1
42 . 1 1 8 8 PRO HB2 H 1 1.935 0.001 . . . . . . . . . . 6329 1
43 . 1 1 8 8 PRO HB3 H 1 2.346 0.001 . . . . . . . . . . 6329 1
44 . 1 1 8 8 PRO HG2 H 1 2.116 0.001 . . . . . . . . . . 6329 1
45 . 1 1 8 8 PRO HG3 H 1 2.053 0.001 . . . . . . . . . . 6329 1
46 . 1 1 8 8 PRO HD2 H 1 4.185 0.000 . . . . . . . . . . 6329 1
47 . 1 1 8 8 PRO HD3 H 1 3.823 0.003 . . . . . . . . . . 6329 1
48 . 1 1 9 9 LYS H H 1 8.980 0.002 . . . . . . . . . . 6329 1
49 . 1 1 9 9 LYS HA H 1 4.007 0.001 . . . . . . . . . . 6329 1
50 . 1 1 9 9 LYS HB2 H 1 1.968 0.000 . . . . . . . . . . 6329 1
51 . 1 1 9 9 LYS HB3 H 1 1.849 0.001 . . . . . . . . . . 6329 1
52 . 1 1 9 9 LYS HG2 H 1 1.486 0.001 . . . . . . . . . . 6329 1
53 . 1 1 9 9 LYS HG3 H 1 1.414 0.001 . . . . . . . . . . 6329 1
54 . 1 1 9 9 LYS HD2 H 1 1.678 0.001 . . . . . . . . . . 6329 1
55 . 1 1 9 9 LYS HE2 H 1 2.972 0.001 . . . . . . . . . . 6329 1
56 . 1 1 10 10 CYS H H 1 7.400 0.007 . . . . . . . . . . 6329 1
57 . 1 1 10 10 CYS HA H 1 4.129 0.001 . . . . . . . . . . 6329 1
58 . 1 1 10 10 CYS HB2 H 1 3.607 0.002 . . . . . . . . . . 6329 1
59 . 1 1 10 10 CYS HB3 H 1 2.948 0.003 . . . . . . . . . . 6329 1
60 . 1 1 11 11 ALA HA H 1 4.274 0.000 . . . . . . . . . . 6329 1
61 . 1 1 11 11 ALA HB1 H 1 1.432 0.001 . . . . . . . . . . 6329 1
62 . 1 1 11 11 ALA HB2 H 1 1.432 0.001 . . . . . . . . . . 6329 1
63 . 1 1 11 11 ALA HB3 H 1 1.432 0.001 . . . . . . . . . . 6329 1
64 . 1 1 12 12 ALA H H 1 8.149 0.000 . . . . . . . . . . 6329 1
65 . 1 1 12 12 ALA HA H 1 4.047 0.000 . . . . . . . . . . 6329 1
66 . 1 1 12 12 ALA HB1 H 1 1.403 0.001 . . . . . . . . . . 6329 1
67 . 1 1 12 12 ALA HB2 H 1 1.403 0.001 . . . . . . . . . . 6329 1
68 . 1 1 12 12 ALA HB3 H 1 1.403 0.001 . . . . . . . . . . 6329 1
69 . 1 1 13 13 ALA H H 1 7.453 0.001 . . . . . . . . . . 6329 1
70 . 1 1 13 13 ALA HA H 1 4.153 0.001 . . . . . . . . . . 6329 1
71 . 1 1 13 13 ALA HB1 H 1 1.561 0.001 . . . . . . . . . . 6329 1
72 . 1 1 13 13 ALA HB2 H 1 1.561 0.001 . . . . . . . . . . 6329 1
73 . 1 1 13 13 ALA HB3 H 1 1.561 0.001 . . . . . . . . . . 6329 1
74 . 1 1 14 14 ALA H H 1 7.901 0.001 . . . . . . . . . . 6329 1
75 . 1 1 14 14 ALA HA H 1 3.706 0.000 . . . . . . . . . . 6329 1
76 . 1 1 14 14 ALA HB1 H 1 1.367 0.000 . . . . . . . . . . 6329 1
77 . 1 1 14 14 ALA HB2 H 1 1.367 0.000 . . . . . . . . . . 6329 1
78 . 1 1 14 14 ALA HB3 H 1 1.367 0.000 . . . . . . . . . . 6329 1
79 . 1 1 15 15 ASN H H 1 8.857 0.001 . . . . . . . . . . 6329 1
80 . 1 1 15 15 ASN HA H 1 4.921 0.000 . . . . . . . . . . 6329 1
81 . 1 1 15 15 ASN HB2 H 1 3.041 0.001 . . . . . . . . . . 6329 1
82 . 1 1 15 15 ASN HB3 H 1 2.556 0.001 . . . . . . . . . . 6329 1
83 . 1 1 15 15 ASN HD21 H 1 7.857 0.000 . . . . . . . . . . 6329 1
84 . 1 1 15 15 ASN HD22 H 1 7.080 0.001 . . . . . . . . . . 6329 1
85 . 1 1 16 16 VAL H H 1 8.938 0.000 . . . . . . . . . . 6329 1
86 . 1 1 16 16 VAL HA H 1 3.458 0.001 . . . . . . . . . . 6329 1
87 . 1 1 16 16 VAL HB H 1 2.043 0.001 . . . . . . . . . . 6329 1
88 . 1 1 16 16 VAL HG11 H 1 1.039 0.001 . . . . . . . . . . 6329 1
89 . 1 1 16 16 VAL HG12 H 1 1.039 0.001 . . . . . . . . . . 6329 1
90 . 1 1 16 16 VAL HG13 H 1 1.039 0.001 . . . . . . . . . . 6329 1
91 . 1 1 16 16 VAL HG21 H 1 1.125 0.001 . . . . . . . . . . 6329 1
92 . 1 1 16 16 VAL HG22 H 1 1.125 0.001 . . . . . . . . . . 6329 1
93 . 1 1 16 16 VAL HG23 H 1 1.125 0.001 . . . . . . . . . . 6329 1
94 . 1 1 17 17 ALA H H 1 8.367 0.001 . . . . . . . . . . 6329 1
95 . 1 1 17 17 ALA HA H 1 4.074 0.002 . . . . . . . . . . 6329 1
96 . 1 1 17 17 ALA HB1 H 1 1.440 0.000 . . . . . . . . . . 6329 1
97 . 1 1 17 17 ALA HB2 H 1 1.440 0.000 . . . . . . . . . . 6329 1
98 . 1 1 17 17 ALA HB3 H 1 1.440 0.000 . . . . . . . . . . 6329 1
99 . 1 1 18 18 ALA H H 1 7.919 0.001 . . . . . . . . . . 6329 1
100 . 1 1 18 18 ALA HA H 1 4.150 0.002 . . . . . . . . . . 6329 1
101 . 1 1 18 18 ALA HB1 H 1 1.454 0.003 . . . . . . . . . . 6329 1
102 . 1 1 18 18 ALA HB2 H 1 1.454 0.003 . . . . . . . . . . 6329 1
103 . 1 1 18 18 ALA HB3 H 1 1.454 0.003 . . . . . . . . . . 6329 1
104 . 1 1 19 19 HIS H H 1 7.896 0.001 . . . . . . . . . . 6329 1
105 . 1 1 19 19 HIS HA H 1 3.843 0.002 . . . . . . . . . . 6329 1
106 . 1 1 19 19 HIS HB2 H 1 3.130 0.001 . . . . . . . . . . 6329 1
107 . 1 1 19 19 HIS HB3 H 1 2.997 0.001 . . . . . . . . . . 6329 1
108 . 1 1 19 19 HIS HD2 H 1 6.763 0.002 . . . . . . . . . . 6329 1
109 . 1 1 19 19 HIS HE1 H 1 7.693 0.002 . . . . . . . . . . 6329 1
110 . 1 1 20 20 MET H H 1 8.258 0.001 . . . . . . . . . . 6329 1
111 . 1 1 20 20 MET HA H 1 4.150 0.005 . . . . . . . . . . 6329 1
112 . 1 1 20 20 MET HB2 H 1 2.140 0.001 . . . . . . . . . . 6329 1
113 . 1 1 20 20 MET HB3 H 1 2.092 0.002 . . . . . . . . . . 6329 1
114 . 1 1 20 20 MET HG2 H 1 2.761 0.001 . . . . . . . . . . 6329 1
115 . 1 1 21 21 THR H H 1 7.060 0.001 . . . . . . . . . . 6329 1
116 . 1 1 21 21 THR HA H 1 4.100 0.000 . . . . . . . . . . 6329 1
117 . 1 1 21 21 THR HB H 1 4.278 0.000 . . . . . . . . . . 6329 1
118 . 1 1 21 21 THR HG21 H 1 1.360 0.003 . . . . . . . . . . 6329 1
119 . 1 1 21 21 THR HG22 H 1 1.360 0.003 . . . . . . . . . . 6329 1
120 . 1 1 21 21 THR HG23 H 1 1.360 0.003 . . . . . . . . . . 6329 1
121 . 1 1 22 22 HIS H H 1 7.270 0.003 . . . . . . . . . . 6329 1
122 . 1 1 22 22 HIS HA H 1 4.977 0.004 . . . . . . . . . . 6329 1
123 . 1 1 22 22 HIS HB2 H 1 3.499 0.001 . . . . . . . . . . 6329 1
124 . 1 1 22 22 HIS HB3 H 1 2.803 0.001 . . . . . . . . . . 6329 1
125 . 1 1 22 22 HIS HD2 H 1 6.499 0.001 . . . . . . . . . . 6329 1
126 . 1 1 22 22 HIS HE1 H 1 7.956 0.002 . . . . . . . . . . 6329 1
127 . 1 1 23 23 CYS H H 1 7.147 0.000 . . . . . . . . . . 6329 1
128 . 1 1 23 23 CYS HA H 1 3.959 0.001 . . . . . . . . . . 6329 1
129 . 1 1 23 23 CYS HB2 H 1 2.296 0.001 . . . . . . . . . . 6329 1
130 . 1 1 23 23 CYS HB3 H 1 2.185 0.004 . . . . . . . . . . 6329 1
131 . 1 1 24 24 ALA H H 1 8.555 0.001 . . . . . . . . . . 6329 1
132 . 1 1 24 24 ALA HA H 1 4.452 0.000 . . . . . . . . . . 6329 1
133 . 1 1 24 24 ALA HB1 H 1 1.434 0.000 . . . . . . . . . . 6329 1
134 . 1 1 24 24 ALA HB2 H 1 1.434 0.000 . . . . . . . . . . 6329 1
135 . 1 1 24 24 ALA HB3 H 1 1.434 0.000 . . . . . . . . . . 6329 1
136 . 1 1 25 25 LYS H H 1 8.282 0.001 . . . . . . . . . . 6329 1
137 . 1 1 25 25 LYS HA H 1 4.177 0.000 . . . . . . . . . . 6329 1
138 . 1 1 25 25 LYS HB2 H 1 1.857 0.000 . . . . . . . . . . 6329 1
139 . 1 1 25 25 LYS HG2 H 1 1.435 0.000 . . . . . . . . . . 6329 1
140 . 1 1 25 25 LYS HD2 H 1 1.726 0.000 . . . . . . . . . . 6329 1
stop_
save_