Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20126
_Assigned_chem_shift_list.ID 1
_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 .
_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 '2D 1H-1H NOESY' . . . 20126 1
2 '2D 1H-1H TOCSY' . . . 20126 1
3 '2D DQF-COSY' . . . 20126 1
4 '2D 1H-15N HSQC' . . . 20126 1
5 '2D 1H-13C HSQC' . . . 20126 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 GLY H H 1 8.939 0.020 . 1 . . . . 1 GLY HN . 20126 1
2 . 1 1 1 1 GLY HA2 H 1 3.915 0.020 . 2 . . . . 1 GLY HA1 . 20126 1
3 . 1 1 1 1 GLY HA3 H 1 3.915 0.020 . 2 . . . . 1 GLY HA2 . 20126 1
4 . 1 1 1 1 GLY CA C 13 43.432 0.400 . 1 . . . . 1 GLY CA . 20126 1
5 . 1 1 2 2 CYS H H 1 8.939 0.020 . 1 . . . . 2 CYS HN . 20126 1
6 . 1 1 2 2 CYS HA H 1 4.539 0.020 . 1 . . . . 2 CYS HA . 20126 1
7 . 1 1 2 2 CYS HB2 H 1 2.766 0.020 . 2 . . . . 2 CYS HB2 . 20126 1
8 . 1 1 2 2 CYS HB3 H 1 3.364 0.020 . 2 . . . . 2 CYS HB3 . 20126 1
9 . 1 1 2 2 CYS CA C 13 58.540 0.400 . 1 . . . . 2 CYS CA . 20126 1
10 . 1 1 2 2 CYS CB C 13 42.614 0.400 . 1 . . . . 2 CYS CB . 20126 1
11 . 1 1 2 2 CYS N N 15 119.932 0.400 . 1 . . . . 2 CYS N . 20126 1
12 . 1 1 3 3 CYS H H 1 8.517 0.020 . 1 . . . . 3 CYS HN . 20126 1
13 . 1 1 3 3 CYS HA H 1 4.522 0.020 . 1 . . . . 3 CYS HA . 20126 1
14 . 1 1 3 3 CYS HB2 H 1 2.796 0.020 . 2 . . . . 3 CYS HB2 . 20126 1
15 . 1 1 3 3 CYS HB3 H 1 3.393 0.020 . 2 . . . . 3 CYS HB3 . 20126 1
16 . 1 1 3 3 CYS CA C 13 55.834 0.400 . 1 . . . . 3 CYS CA . 20126 1
17 . 1 1 3 3 CYS CB C 13 36.379 0.400 . 1 . . . . 3 CYS CB . 20126 1
18 . 1 1 3 3 CYS N N 15 111.772 0.400 . 1 . . . . 3 CYS N . 20126 1
19 . 1 1 4 4 SER H H 1 7.775 0.020 . 1 . . . . 4 SER HN . 20126 1
20 . 1 1 4 4 SER HA H 1 4.559 0.020 . 1 . . . . 4 SER HA . 20126 1
21 . 1 1 4 4 SER HB2 H 1 3.926 0.020 . 2 . . . . 4 SER HB2 . 20126 1
22 . 1 1 4 4 SER HB3 H 1 4.021 0.020 . 2 . . . . 4 SER HB3 . 20126 1
23 . 1 1 4 4 SER CA C 13 58.408 0.400 . 1 . . . . 4 SER CA . 20126 1
24 . 1 1 4 4 SER CB C 13 63.601 0.400 . 1 . . . . 4 SER CB . 20126 1
25 . 1 1 4 4 SER N N 15 113.042 0.400 . 1 . . . . 4 SER N . 20126 1
26 . 1 1 5 5 ASN H H 1 8.052 0.020 . 1 . . . . 5 ASN HN . 20126 1
27 . 1 1 5 5 ASN HA H 1 5.294 0.020 . 1 . . . . 5 ASN HA . 20126 1
28 . 1 1 5 5 ASN HB2 H 1 2.852 0.020 . 2 . . . . 5 ASN HB2 . 20126 1
29 . 1 1 5 5 ASN HB3 H 1 3.201 0.020 . 2 . . . . 5 ASN HB3 . 20126 1
30 . 1 1 5 5 ASN HD21 H 1 7.740 0.020 . 2 . . . . 5 ASN HD21 . 20126 1
31 . 1 1 5 5 ASN HD22 H 1 7.094 0.020 . 2 . . . . 5 ASN HD22 . 20126 1
32 . 1 1 5 5 ASN CA C 13 50.001 0.400 . 1 . . . . 5 ASN CA . 20126 1
33 . 1 1 5 5 ASN CB C 13 40.556 0.400 . 1 . . . . 5 ASN CB . 20126 1
34 . 1 1 5 5 ASN N N 15 122.784 0.400 . 1 . . . . 5 ASN N . 20126 1
35 . 1 1 5 5 ASN ND2 N 15 112.788 0.400 . 1 . . . . 5 ASN ND2 . 20126 1
36 . 1 1 6 6 PRO HA H 1 4.253 0.020 . 1 . . . . 6 PRO HA . 20126 1
37 . 1 1 6 6 PRO HB2 H 1 2.008 0.020 . 2 . . . . 6 PRO HB2 . 20126 1
38 . 1 1 6 6 PRO HB3 H 1 2.415 0.020 . 2 . . . . 6 PRO HB3 . 20126 1
39 . 1 1 6 6 PRO HD2 H 1 3.919 0.020 . 2 . . . . 6 PRO HD2 . 20126 1
40 . 1 1 6 6 PRO HD3 H 1 4.073 0.020 . 2 . . . . 6 PRO HD3 . 20126 1
41 . 1 1 6 6 PRO HG2 H 1 2.019 0.020 . 2 . . . . 6 PRO HG2 . 20126 1
42 . 1 1 6 6 PRO HG3 H 1 2.167 0.020 . 2 . . . . 6 PRO HG3 . 20126 1
43 . 1 1 6 6 PRO CA C 13 66.057 0.400 . 1 . . . . 6 PRO CA . 20126 1
44 . 1 1 6 6 PRO CB C 13 32.296 0.400 . 1 . . . . 6 PRO CB . 20126 1
45 . 1 1 6 6 PRO CD C 13 51.134 0.400 . 1 . . . . 6 PRO CD . 20126 1
46 . 1 1 6 6 PRO CG C 13 27.380 0.400 . 1 . . . . 6 PRO CG . 20126 1
47 . 1 1 7 7 ALA H H 1 7.720 0.020 . 1 . . . . 7 ALA HN . 20126 1
48 . 1 1 7 7 ALA HA H 1 4.166 0.020 . 1 . . . . 7 ALA HA . 20126 1
49 . 1 1 7 7 ALA HB1 H 1 1.388 0.020 . 1 . . . . 7 ALA HB . 20126 1
50 . 1 1 7 7 ALA HB2 H 1 1.388 0.020 . 1 . . . . 7 ALA HB . 20126 1
51 . 1 1 7 7 ALA HB3 H 1 1.388 0.020 . 1 . . . . 7 ALA HB . 20126 1
52 . 1 1 7 7 ALA CA C 13 54.376 0.400 . 1 . . . . 7 ALA CA . 20126 1
53 . 1 1 7 7 ALA CB C 13 18.359 0.400 . 1 . . . . 7 ALA CB . 20126 1
54 . 1 1 7 7 ALA N N 15 117.342 0.400 . 1 . . . . 7 ALA N . 20126 1
55 . 1 1 8 8 CYS H H 1 7.551 0.020 . 1 . . . . 8 CYS HN . 20126 1
56 . 1 1 8 8 CYS HA H 1 4.331 0.020 . 1 . . . . 8 CYS HA . 20126 1
57 . 1 1 8 8 CYS HB2 H 1 3.305 0.020 . 2 . . . . 8 CYS HB2 . 20126 1
58 . 1 1 8 8 CYS HB3 H 1 4.128 0.020 . 2 . . . . 8 CYS HB3 . 20126 1
59 . 1 1 8 8 CYS CA C 13 59.845 0.400 . 1 . . . . 8 CYS CA . 20126 1
60 . 1 1 8 8 CYS CB C 13 42.250 0.400 . 1 . . . . 8 CYS CB . 20126 1
61 . 1 1 8 8 CYS N N 15 118.198 0.400 . 1 . . . . 8 CYS N . 20126 1
62 . 1 1 9 9 MET H H 1 8.574 0.020 . 1 . . . . 9 MET HN . 20126 1
63 . 1 1 9 9 MET HA H 1 4.071 0.020 . 1 . . . . 9 MET HA . 20126 1
64 . 1 1 9 9 MET HB2 H 1 2.168 0.020 . 2 . . . . 9 MET HB2 . 20126 1
65 . 1 1 9 9 MET HB3 H 1 2.217 0.020 . 2 . . . . 9 MET HB3 . 20126 1
66 . 1 1 9 9 MET HG2 H 1 2.493 0.020 . 2 . . . . 9 MET HG2 . 20126 1
67 . 1 1 9 9 MET HG3 H 1 2.633 0.020 . 2 . . . . 9 MET HG3 . 20126 1
68 . 1 1 9 9 MET CA C 13 59.338 0.400 . 1 . . . . 9 MET CA . 20126 1
69 . 1 1 9 9 MET CB C 13 33.054 0.400 . 1 . . . . 9 MET CB . 20126 1
70 . 1 1 9 9 MET CG C 13 31.876 0.400 . 1 . . . . 9 MET CG . 20126 1
71 . 1 1 9 9 MET N N 15 121.266 0.400 . 1 . . . . 9 MET N . 20126 1
72 . 1 1 10 10 VAL H H 1 7.514 0.020 . 1 . . . . 10 VAL HN . 20126 1
73 . 1 1 10 10 VAL HA H 1 3.874 0.020 . 1 . . . . 10 VAL HA . 20126 1
74 . 1 1 10 10 VAL HB H 1 2.149 0.020 . 1 . . . . 10 VAL HB . 20126 1
75 . 1 1 10 10 VAL HG11 H 1 0.972 0.020 . 2 . . . . 10 VAL HG1 . 20126 1
76 . 1 1 10 10 VAL HG12 H 1 0.972 0.020 . 2 . . . . 10 VAL HG1 . 20126 1
77 . 1 1 10 10 VAL HG13 H 1 0.972 0.020 . 2 . . . . 10 VAL HG1 . 20126 1
78 . 1 1 10 10 VAL HG21 H 1 1.025 0.020 . 2 . . . . 10 VAL HG2 . 20126 1
79 . 1 1 10 10 VAL HG22 H 1 1.025 0.020 . 2 . . . . 10 VAL HG2 . 20126 1
80 . 1 1 10 10 VAL HG23 H 1 1.025 0.020 . 2 . . . . 10 VAL HG2 . 20126 1
81 . 1 1 10 10 VAL CA C 13 64.494 0.400 . 1 . . . . 10 VAL CA . 20126 1
82 . 1 1 10 10 VAL CB C 13 31.876 0.400 . 1 . . . . 10 VAL CB . 20126 1
83 . 1 1 10 10 VAL CG1 C 13 20.781 0.400 . 1 . . . . 10 VAL CG1 . 20126 1
84 . 1 1 10 10 VAL CG2 C 13 21.211 0.400 . 1 . . . . 10 VAL CG2 . 20126 1
85 . 1 1 10 10 VAL N N 15 115.796 0.400 . 1 . . . . 10 VAL N . 20126 1
86 . 1 1 11 11 ASN H H 1 7.341 0.020 . 1 . . . . 11 ASN HN . 20126 1
87 . 1 1 11 11 ASN HA H 1 4.795 0.020 . 1 . . . . 11 ASN HA . 20126 1
88 . 1 1 11 11 ASN HB2 H 1 2.756 0.020 . 2 . . . . 11 ASN HB2 . 20126 1
89 . 1 1 11 11 ASN HB3 H 1 2.942 0.020 . 2 . . . . 11 ASN HB3 . 20126 1
90 . 1 1 11 11 ASN HD21 H 1 7.576 0.020 . 2 . . . . 11 ASN HD21 . 20126 1
91 . 1 1 11 11 ASN HD22 H 1 6.904 0.020 . 2 . . . . 11 ASN HD22 . 20126 1
92 . 1 1 11 11 ASN CB C 13 39.816 0.400 . 1 . . . . 11 ASN CB . 20126 1
93 . 1 1 11 11 ASN N N 15 116.695 0.400 . 1 . . . . 11 ASN N . 20126 1
94 . 1 1 11 11 ASN ND2 N 15 113.208 0.400 . 1 . . . . 11 ASN ND2 . 20126 1
95 . 1 1 12 12 ASN H H 1 7.637 0.020 . 1 . . . . 12 ASN HN . 20126 1
96 . 1 1 12 12 ASN HA H 1 5.367 0.020 . 1 . . . . 12 ASN HA . 20126 1
97 . 1 1 12 12 ASN HB2 H 1 2.631 0.020 . 2 . . . . 12 ASN HB2 . 20126 1
98 . 1 1 12 12 ASN HB3 H 1 2.722 0.020 . 2 . . . . 12 ASN HB3 . 20126 1
99 . 1 1 12 12 ASN HD21 H 1 7.735 0.020 . 2 . . . . 12 ASN HD21 . 20126 1
100 . 1 1 12 12 ASN HD22 H 1 7.260 0.020 . 2 . . . . 12 ASN HD22 . 20126 1
101 . 1 1 12 12 ASN CA C 13 52.150 0.400 . 1 . . . . 12 ASN CA . 20126 1
102 . 1 1 12 12 ASN CB C 13 40.502 0.400 . 1 . . . . 12 ASN CB . 20126 1
103 . 1 1 12 12 ASN N N 15 117.552 0.400 . 1 . . . . 12 ASN N . 20126 1
104 . 1 1 12 12 ASN ND2 N 15 117.808 0.400 . 1 . . . . 12 ASN ND2 . 20126 1
105 . 1 1 13 13 PRO HA H 1 4.438 0.020 . 1 . . . . 13 PRO HA . 20126 1
106 . 1 1 13 13 PRO HB2 H 1 2.005 0.020 . 2 . . . . 13 PRO HB2 . 20126 1
107 . 1 1 13 13 PRO HB3 H 1 2.309 0.020 . 2 . . . . 13 PRO HB3 . 20126 1
108 . 1 1 13 13 PRO HD2 H 1 3.490 0.020 . 2 . . . . 13 PRO HD2 . 20126 1
109 . 1 1 13 13 PRO HD3 H 1 3.724 0.020 . 2 . . . . 13 PRO HD3 . 20126 1
110 . 1 1 13 13 PRO HG2 H 1 2.093 0.020 . 2 . . . . 13 PRO HG2 . 20126 1
111 . 1 1 13 13 PRO HG3 H 1 2.093 0.020 . 2 . . . . 13 PRO HG3 . 20126 1
112 . 1 1 13 13 PRO CA C 13 65.158 0.400 . 1 . . . . 13 PRO CA . 20126 1
113 . 1 1 13 13 PRO CB C 13 31.527 0.400 . 1 . . . . 13 PRO CB . 20126 1
114 . 1 1 13 13 PRO CD C 13 50.665 0.400 . 1 . . . . 13 PRO CD . 20126 1
115 . 1 1 13 13 PRO CG C 13 27.422 0.400 . 1 . . . . 13 PRO CG . 20126 1
116 . 1 1 14 14 GLN H H 1 8.835 0.020 . 1 . . . . 14 GLN HN . 20126 1
117 . 1 1 14 14 GLN HA H 1 4.241 0.020 . 1 . . . . 14 GLN HA . 20126 1
118 . 1 1 14 14 GLN HB2 H 1 2.125 0.020 . 2 . . . . 14 GLN HB2 . 20126 1
119 . 1 1 14 14 GLN HB3 H 1 2.125 0.020 . 2 . . . . 14 GLN HB3 . 20126 1
120 . 1 1 14 14 GLN HE21 H 1 7.628 0.020 . 2 . . . . 14 GLN HE21 . 20126 1
121 . 1 1 14 14 GLN HE22 H 1 7.118 0.020 . 2 . . . . 14 GLN HE22 . 20126 1
122 . 1 1 14 14 GLN HG2 H 1 2.398 0.020 . 2 . . . . 14 GLN HG2 . 20126 1
123 . 1 1 14 14 GLN HG3 H 1 2.521 0.020 . 2 . . . . 14 GLN HG3 . 20126 1
124 . 1 1 14 14 GLN CA C 13 58.009 0.400 . 1 . . . . 14 GLN CA . 20126 1
125 . 1 1 14 14 GLN CB C 13 27.735 0.400 . 1 . . . . 14 GLN CB . 20126 1
126 . 1 1 14 14 GLN CG C 13 33.961 0.400 . 1 . . . . 14 GLN CG . 20126 1
127 . 1 1 14 14 GLN N N 15 118.414 0.400 . 1 . . . . 14 GLN N . 20126 1
128 . 1 1 14 14 GLN NE2 N 15 112.476 0.400 . 1 . . . . 14 GLN NE2 . 20126 1
129 . 1 1 15 15 ILE H H 1 7.349 0.020 . 1 . . . . 15 ILE HN . 20126 1
130 . 1 1 15 15 ILE HA H 1 4.253 0.020 . 1 . . . . 15 ILE HA . 20126 1
131 . 1 1 15 15 ILE HB H 1 1.925 0.020 . 1 . . . . 15 ILE HB . 20126 1
132 . 1 1 15 15 ILE HD11 H 1 0.844 0.020 . 1 . . . . 15 ILE HD1 . 20126 1
133 . 1 1 15 15 ILE HD12 H 1 0.844 0.020 . 1 . . . . 15 ILE HD1 . 20126 1
134 . 1 1 15 15 ILE HD13 H 1 0.844 0.020 . 1 . . . . 15 ILE HD1 . 20126 1
135 . 1 1 15 15 ILE HG12 H 1 1.175 0.020 . 2 . . . . 15 ILE HG12 . 20126 1
136 . 1 1 15 15 ILE HG13 H 1 1.601 0.020 . 2 . . . . 15 ILE HG13 . 20126 1
137 . 1 1 15 15 ILE HG21 H 1 0.919 0.020 . 1 . . . . 15 ILE HG2 . 20126 1
138 . 1 1 15 15 ILE HG22 H 1 0.919 0.020 . 1 . . . . 15 ILE HG2 . 20126 1
139 . 1 1 15 15 ILE HG23 H 1 0.919 0.020 . 1 . . . . 15 ILE HG2 . 20126 1
140 . 1 1 15 15 ILE CA C 13 62.385 0.400 . 1 . . . . 15 ILE CA . 20126 1
141 . 1 1 15 15 ILE CB C 13 38.985 0.400 . 1 . . . . 15 ILE CB . 20126 1
142 . 1 1 15 15 ILE CD1 C 13 12.695 0.400 . 1 . . . . 15 ILE CD1 . 20126 1
143 . 1 1 15 15 ILE CG1 C 13 27.657 0.400 . 1 . . . . 15 ILE CG1 . 20126 1
144 . 1 1 15 15 ILE CG2 C 13 17.773 0.400 . 1 . . . . 15 ILE CG2 . 20126 1
145 . 1 1 15 15 ILE N N 15 115.855 0.400 . 1 . . . . 15 ILE N . 20126 1
146 . 1 1 16 16 CYS H H 1 7.883 0.020 . 1 . . . . 16 CYS HN . 20126 1
147 . 1 1 16 16 CYS HA H 1 4.884 0.020 . 1 . . . . 16 CYS HA . 20126 1
148 . 1 1 16 16 CYS HB2 H 1 2.724 0.020 . 2 . . . . 16 CYS HB2 . 20126 1
149 . 1 1 16 16 CYS HB3 H 1 3.331 0.020 . 2 . . . . 16 CYS HB3 . 20126 1
150 . 1 1 16 16 CYS CA C 13 53.634 0.400 . 1 . . . . 16 CYS CA . 20126 1
151 . 1 1 16 16 CYS CB C 13 38.994 0.400 . 1 . . . . 16 CYS CB . 20126 1
152 . 1 1 16 16 CYS N N 15 118.403 0.400 . 1 . . . . 16 CYS N . 20126 1
stop_
save_