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 19476
_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 DQF-COSY' . . . 19476 1
2 '2D 1H-1H NOESY' . . . 19476 1
3 '2D 1H-1H TOCSY' . . . 19476 1
4 '2D 1H-13C HSQC aliphatic' . . . 19476 1
5 '2D 1H-13C HSQC aromatic' . . . 19476 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 GLU HA H 1 4.090 0.020 . 1 . . . A 1 GLU HA . 19476 1
2 . 1 1 1 1 GLU HB2 H 1 2.129 0.020 . 1 . . . A 1 GLU HB2 . 19476 1
3 . 1 1 1 1 GLU HB3 H 1 2.129 0.020 . 1 . . . A 1 GLU HB3 . 19476 1
4 . 1 1 1 1 GLU HG2 H 1 2.356 0.020 . 1 . . . A 1 GLU HG2 . 19476 1
5 . 1 1 1 1 GLU HG3 H 1 2.356 0.020 . 1 . . . A 1 GLU HG3 . 19476 1
6 . 1 1 1 1 GLU CA C 13 52.701 0.3 . 1 . . . A 1 GLU CA . 19476 1
7 . 1 1 1 1 GLU CB C 13 27.332 0.3 . 1 . . . A 1 GLU CB . 19476 1
8 . 1 1 1 1 GLU CG C 13 32.520 0.3 . 1 . . . A 1 GLU CG . 19476 1
9 . 1 1 2 2 GLY H H 1 8.945 0.020 . 1 . . . A 2 GLY H . 19476 1
10 . 1 1 2 2 GLY HA2 H 1 4.061 0.020 . 2 . . . A 2 GLY HA2 . 19476 1
11 . 1 1 2 2 GLY HA3 H 1 4.023 0.020 . 2 . . . A 2 GLY HA3 . 19476 1
12 . 1 1 2 2 GLY CA C 13 42.241 0.3 . 1 . . . A 2 GLY CA . 19476 1
13 . 1 1 3 3 CYS H H 1 8.910 0.020 . 1 . . . A 3 CYS H . 19476 1
14 . 1 1 3 3 CYS HA H 1 4.497 0.020 . 1 . . . A 3 CYS HA . 19476 1
15 . 1 1 3 3 CYS HB2 H 1 3.273 0.020 . 2 . . . A 3 CYS HB2 . 19476 1
16 . 1 1 3 3 CYS HB3 H 1 2.672 0.020 . 2 . . . A 3 CYS HB3 . 19476 1
17 . 1 1 3 3 CYS CA C 13 55.630 0.3 . 1 . . . A 3 CYS CA . 19476 1
18 . 1 1 3 3 CYS CB C 13 39.502 0.3 . 1 . . . A 3 CYS CB . 19476 1
19 . 1 1 4 4 CYS H H 1 8.773 0.020 . 1 . . . A 4 CYS H . 19476 1
20 . 1 1 4 4 CYS HA H 1 4.430 0.020 . 1 . . . A 4 CYS HA . 19476 1
21 . 1 1 4 4 CYS HB2 H 1 3.351 0.020 . 2 . . . A 4 CYS HB2 . 19476 1
22 . 1 1 4 4 CYS HB3 H 1 2.844 0.020 . 2 . . . A 4 CYS HB3 . 19476 1
23 . 1 1 4 4 CYS CA C 13 53.092 0.3 . 1 . . . A 4 CYS CA . 19476 1
24 . 1 1 4 4 CYS CB C 13 33.220 0.3 . 1 . . . A 4 CYS CB . 19476 1
25 . 1 1 5 5 SER H H 1 7.798 0.020 . 1 . . . A 5 SER H . 19476 1
26 . 1 1 5 5 SER HA H 1 4.518 0.020 . 1 . . . A 5 SER HA . 19476 1
27 . 1 1 5 5 SER HB2 H 1 3.943 0.020 . 1 . . . A 5 SER HB2 . 19476 1
28 . 1 1 5 5 SER HB3 H 1 3.943 0.020 . 1 . . . A 5 SER HB3 . 19476 1
29 . 1 1 5 5 SER CA C 13 55.783 0.3 . 1 . . . A 5 SER CA . 19476 1
30 . 1 1 5 5 SER CB C 13 60.742 0.3 . 1 . . . A 5 SER CB . 19476 1
31 . 1 1 6 6 ASN H H 1 8.073 0.020 . 1 . . . A 6 ASN H . 19476 1
32 . 1 1 6 6 ASN HA H 1 5.295 0.020 . 1 . . . A 6 ASN HA . 19476 1
33 . 1 1 6 6 ASN HB2 H 1 3.209 0.020 . 2 . . . A 6 ASN HB2 . 19476 1
34 . 1 1 6 6 ASN HB3 H 1 2.807 0.020 . 2 . . . A 6 ASN HB3 . 19476 1
35 . 1 1 6 6 ASN HD21 H 1 7.196 0.020 . 1 . . . A 6 ASN HD21 . 19476 1
36 . 1 1 6 6 ASN HD22 H 1 8.018 0.020 . 1 . . . A 6 ASN HD22 . 19476 1
37 . 1 1 6 6 ASN CA C 13 47.068 0.3 . 1 . . . A 6 ASN CA . 19476 1
38 . 1 1 6 6 ASN CB C 13 37.928 0.3 . 1 . . . A 6 ASN CB . 19476 1
39 . 1 1 7 7 PRO HA H 1 4.117 0.020 . 1 . . . A 7 PRO HA . 19476 1
40 . 1 1 7 7 PRO HB2 H 1 2.384 0.020 . 2 . . . A 7 PRO HB2 . 19476 1
41 . 1 1 7 7 PRO HB3 H 1 2.023 0.020 . 2 . . . A 7 PRO HB3 . 19476 1
42 . 1 1 7 7 PRO HG2 H 1 2.184 0.020 . 2 . . . A 7 PRO HG2 . 19476 1
43 . 1 1 7 7 PRO HG3 H 1 2.021 0.020 . 2 . . . A 7 PRO HG3 . 19476 1
44 . 1 1 7 7 PRO HD2 H 1 4.105 0.020 . 2 . . . A 7 PRO HD2 . 19476 1
45 . 1 1 7 7 PRO HD3 H 1 3.910 0.020 . 2 . . . A 7 PRO HD3 . 19476 1
46 . 1 1 7 7 PRO CA C 13 63.092 0.3 . 1 . . . A 7 PRO CA . 19476 1
47 . 1 1 7 7 PRO CB C 13 29.278 0.3 . 1 . . . A 7 PRO CB . 19476 1
48 . 1 1 7 7 PRO CG C 13 24.557 0.3 . 1 . . . A 7 PRO CG . 19476 1
49 . 1 1 7 7 PRO CD C 13 47.922 0.3 . 1 . . . A 7 PRO CD . 19476 1
50 . 1 1 8 8 ALA H H 1 7.807 0.020 . 1 . . . A 8 ALA H . 19476 1
51 . 1 1 8 8 ALA HA H 1 4.149 0.020 . 1 . . . A 8 ALA HA . 19476 1
52 . 1 1 8 8 ALA HB1 H 1 1.418 0.020 . 1 . . . A 8 ALA HB1 . 19476 1
53 . 1 1 8 8 ALA HB2 H 1 1.418 0.020 . 1 . . . A 8 ALA HB2 . 19476 1
54 . 1 1 8 8 ALA HB3 H 1 1.418 0.020 . 1 . . . A 8 ALA HB3 . 19476 1
55 . 1 1 8 8 ALA CA C 13 51.882 0.3 . 1 . . . A 8 ALA CA . 19476 1
56 . 1 1 8 8 ALA CB C 13 15.213 0.3 . 1 . . . A 8 ALA CB . 19476 1
57 . 1 1 9 9 CYS H H 1 8.114 0.020 . 1 . . . A 9 CYS H . 19476 1
58 . 1 1 9 9 CYS HA H 1 4.395 0.020 . 1 . . . A 9 CYS HA . 19476 1
59 . 1 1 9 9 CYS HB2 H 1 4.322 0.020 . 2 . . . A 9 CYS HB2 . 19476 1
60 . 1 1 9 9 CYS HB3 H 1 3.301 0.020 . 2 . . . A 9 CYS HB3 . 19476 1
61 . 1 1 9 9 CYS CA C 13 58.098 0.3 . 1 . . . A 9 CYS CA . 19476 1
62 . 1 1 9 9 CYS CB C 13 38.385 0.3 . 1 . . . A 9 CYS CB . 19476 1
63 . 1 1 10 10 ARG H H 1 8.855 0.020 . 1 . . . A 10 ARG H . 19476 1
64 . 1 1 10 10 ARG HA H 1 3.997 0.020 . 1 . . . A 10 ARG HA . 19476 1
65 . 1 1 10 10 ARG HB2 H 1 2.025 0.020 . 2 . . . A 10 ARG HB2 . 19476 1
66 . 1 1 10 10 ARG HB3 H 1 1.903 0.020 . 2 . . . A 10 ARG HB3 . 19476 1
67 . 1 1 10 10 ARG HG2 H 1 1.621 0.020 . 1 . . . A 10 ARG HG2 . 19476 1
68 . 1 1 10 10 ARG HG3 H 1 1.621 0.020 . 1 . . . A 10 ARG HG3 . 19476 1
69 . 1 1 10 10 ARG HD2 H 1 3.273 0.020 . 1 . . . A 10 ARG HD2 . 19476 1
70 . 1 1 10 10 ARG HD3 H 1 3.273 0.020 . 1 . . . A 10 ARG HD3 . 19476 1
71 . 1 1 10 10 ARG HE H 1 7.519 0.020 . 1 . . . A 10 ARG HE . 19476 1
72 . 1 1 10 10 ARG HH11 H 1 7.159 0.020 . 1 . . . A 10 ARG HH11 . 19476 1
73 . 1 1 10 10 ARG HH12 H 1 7.537 0.020 . 1 . . . A 10 ARG HH12 . 19476 1
74 . 1 1 10 10 ARG HH21 H 1 6.639 0.020 . 1 . . . A 10 ARG HH21 . 19476 1
75 . 1 1 10 10 ARG HH22 H 1 6.969 0.020 . 1 . . . A 10 ARG HH22 . 19476 1
76 . 1 1 10 10 ARG CA C 13 56.816 0.3 . 1 . . . A 10 ARG CA . 19476 1
77 . 1 1 10 10 ARG CB C 13 27.550 0.3 . 1 . . . A 10 ARG CB . 19476 1
78 . 1 1 10 10 ARG CG C 13 24.576 0.3 . 1 . . . A 10 ARG CG . 19476 1
79 . 1 1 10 10 ARG CD C 13 40.627 0.3 . 1 . . . A 10 ARG CD . 19476 1
80 . 1 1 11 11 THR H H 1 7.934 0.020 . 1 . . . A 11 THR H . 19476 1
81 . 1 1 11 11 THR HA H 1 3.891 0.020 . 1 . . . A 11 THR HA . 19476 1
82 . 1 1 11 11 THR HB H 1 4.190 0.020 . 1 . . . A 11 THR HB . 19476 1
83 . 1 1 11 11 THR HG21 H 1 1.226 0.020 . 1 . . . A 11 THR HG1 . 19476 1
84 . 1 1 11 11 THR HG22 H 1 1.226 0.020 . 1 . . . A 11 THR HG1 . 19476 1
85 . 1 1 11 11 THR HG23 H 1 1.226 0.020 . 1 . . . A 11 THR HG1 . 19476 1
86 . 1 1 11 11 THR CA C 13 62.717 0.3 . 1 . . . A 11 THR CA . 19476 1
87 . 1 1 11 11 THR CB C 13 66.074 0.3 . 1 . . . A 11 THR CB . 19476 1
88 . 1 1 11 11 THR CG2 C 13 18.529 0.3 . 1 . . . A 11 THR CG2 . 19476 1
89 . 1 1 12 12 ASN H H 1 7.538 0.020 . 1 . . . A 12 ASN H . 19476 1
90 . 1 1 12 12 ASN HA H 1 4.604 0.020 . 1 . . . A 12 ASN HA . 19476 1
91 . 1 1 12 12 ASN HB2 H 1 2.765 0.020 . 2 . . . A 12 ASN HB2 . 19476 1
92 . 1 1 12 12 ASN HB3 H 1 2.528 0.020 . 2 . . . A 12 ASN HB3 . 19476 1
93 . 1 1 12 12 ASN HD21 H 1 6.962 0.020 . 1 . . . A 12 ASN HD21 . 19476 1
94 . 1 1 12 12 ASN HD22 H 1 7.605 0.020 . 1 . . . A 12 ASN HD22 . 19476 1
95 . 1 1 12 12 ASN CA C 13 51.025 0.3 . 1 . . . A 12 ASN CA . 19476 1
96 . 1 1 12 12 ASN CB C 13 36.578 0.3 . 1 . . . A 12 ASN CB . 19476 1
97 . 1 1 13 13 HIS H H 1 7.818 0.020 . 1 . . . A 13 HIS H . 19476 1
98 . 1 1 13 13 HIS HA H 1 5.464 0.020 . 1 . . . A 13 HIS HA . 19476 1
99 . 1 1 13 13 HIS HB2 H 1 3.205 0.020 . 2 . . . A 13 HIS HB2 . 19476 1
100 . 1 1 13 13 HIS HB3 H 1 3.053 0.020 . 2 . . . A 13 HIS HB3 . 19476 1
101 . 1 1 13 13 HIS HD2 H 1 7.591 0.020 . 1 . . . A 13 HIS HD2 . 19476 1
102 . 1 1 13 13 HIS HE1 H 1 8.621 0.020 . 1 . . . A 13 HIS HE1 . 19476 1
103 . 1 1 13 13 HIS CA C 13 51.184 0.3 . 1 . . . A 13 HIS CA . 19476 1
104 . 1 1 13 13 HIS CB C 13 25.713 0.3 . 1 . . . A 13 HIS CB . 19476 1
105 . 1 1 13 13 HIS CD2 C 13 117.813 0.3 . 1 . . . A 13 HIS CD2 . 19476 1
106 . 1 1 13 13 HIS CE1 C 13 133.447 0.3 . 1 . . . A 13 HIS CE1 . 19476 1
107 . 1 1 14 14 PRO HA H 1 4.408 0.020 . 1 . . . A 14 PRO HA . 19476 1
108 . 1 1 14 14 PRO HB2 H 1 2.354 0.020 . 2 . . . A 14 PRO HB2 . 19476 1
109 . 1 1 14 14 PRO HB3 H 1 2.063 0.020 . 2 . . . A 14 PRO HB3 . 19476 1
110 . 1 1 14 14 PRO HG2 H 1 2.080 0.020 . 1 . . . A 14 PRO HG2 . 19476 1
111 . 1 1 14 14 PRO HG3 H 1 2.080 0.020 . 1 . . . A 14 PRO HG3 . 19476 1
112 . 1 1 14 14 PRO HD2 H 1 3.635 0.020 . 2 . . . A 14 PRO HD2 . 19476 1
113 . 1 1 14 14 PRO HD3 H 1 3.466 0.020 . 2 . . . A 14 PRO HD3 . 19476 1
114 . 1 1 14 14 PRO CA C 13 62.315 0.3 . 1 . . . A 14 PRO CA . 19476 1
115 . 1 1 14 14 PRO CB C 13 28.367 0.3 . 1 . . . A 14 PRO CB . 19476 1
116 . 1 1 14 14 PRO CG C 13 24.309 0.3 . 1 . . . A 14 PRO CG . 19476 1
117 . 1 1 14 14 PRO CD C 13 47.376 0.3 . 1 . . . A 14 PRO CD . 19476 1
118 . 1 1 15 15 GLU H H 1 9.729 0.020 . 1 . . . A 15 GLU H . 19476 1
119 . 1 1 15 15 GLU HA H 1 4.323 0.020 . 1 . . . A 15 GLU HA . 19476 1
120 . 1 1 15 15 GLU HB2 H 1 2.178 0.020 . 2 . . . A 15 GLU HB2 . 19476 1
121 . 1 1 15 15 GLU HB3 H 1 2.090 0.020 . 2 . . . A 15 GLU HB3 . 19476 1
122 . 1 1 15 15 GLU HG2 H 1 2.578 0.020 . 2 . . . A 15 GLU HG2 . 19476 1
123 . 1 1 15 15 GLU HG3 H 1 2.281 0.020 . 2 . . . A 15 GLU HG3 . 19476 1
124 . 1 1 15 15 GLU CA C 13 55.504 0.3 . 1 . . . A 15 GLU CA . 19476 1
125 . 1 1 15 15 GLU CB C 13 24.356 0.3 . 1 . . . A 15 GLU CB . 19476 1
126 . 1 1 15 15 GLU CG C 13 32.731 0.3 . 1 . . . A 15 GLU CG . 19476 1
127 . 1 1 16 16 VAL H H 1 7.514 0.020 . 1 . . . A 16 VAL H . 19476 1
128 . 1 1 16 16 VAL HA H 1 4.234 0.020 . 1 . . . A 16 VAL HA . 19476 1
129 . 1 1 16 16 VAL HB H 1 2.279 0.020 . 1 . . . A 16 VAL HB . 19476 1
130 . 1 1 16 16 VAL HG11 H 1 0.939 0.020 . 2 . . . A 16 VAL HG11 . 19476 1
131 . 1 1 16 16 VAL HG12 H 1 0.939 0.020 . 2 . . . A 16 VAL HG12 . 19476 1
132 . 1 1 16 16 VAL HG13 H 1 0.939 0.020 . 2 . . . A 16 VAL HG13 . 19476 1
133 . 1 1 16 16 VAL HG21 H 1 1.031 0.020 . 2 . . . A 16 VAL HG21 . 19476 1
134 . 1 1 16 16 VAL HG22 H 1 1.031 0.020 . 2 . . . A 16 VAL HG22 . 19476 1
135 . 1 1 16 16 VAL HG23 H 1 1.031 0.020 . 2 . . . A 16 VAL HG23 . 19476 1
136 . 1 1 16 16 VAL CA C 13 60.416 0.3 . 1 . . . A 16 VAL CA . 19476 1
137 . 1 1 16 16 VAL CB C 13 30.066 0.3 . 1 . . . A 16 VAL CB . 19476 1
138 . 1 1 16 16 VAL CG1 C 13 18.795 0.3 . 1 . . . A 16 VAL CG1 . 19476 1
139 . 1 1 16 16 VAL CG2 C 13 18.404 0.3 . 1 . . . A 16 VAL CG2 . 19476 1
140 . 1 1 17 17 CYS H H 1 7.823 0.020 . 1 . . . A 17 CYS H . 19476 1
141 . 1 1 17 17 CYS HA H 1 4.933 0.020 . 1 . . . A 17 CYS HA . 19476 1
142 . 1 1 17 17 CYS HB2 H 1 3.236 0.020 . 2 . . . A 17 CYS HB2 . 19476 1
143 . 1 1 17 17 CYS HB3 H 1 2.653 0.020 . 2 . . . A 17 CYS HB3 . 19476 1
144 . 1 1 17 17 CYS CA C 13 51.785 0.3 . 1 . . . A 17 CYS CA . 19476 1
145 . 1 1 17 17 CYS CB C 13 36.608 0.3 . 1 . . . A 17 CYS CB . 19476 1
146 . 1 1 18 18 ASP H H 1 8.532 0.020 . 1 . . . A 18 ASP H . 19476 1
147 . 1 1 18 18 ASP HA H 1 4.660 0.020 . 1 . . . A 18 ASP HA . 19476 1
148 . 1 1 18 18 ASP HB2 H 1 2.716 0.020 . 2 . . . A 18 ASP HB2 . 19476 1
149 . 1 1 18 18 ASP HB3 H 1 2.711 0.020 . 2 . . . A 18 ASP HB3 . 19476 1
150 . 1 1 18 18 ASP CA C 13 51.802 0.3 . 1 . . . A 18 ASP CA . 19476 1
151 . 1 1 18 18 ASP CB C 13 38.270 0.3 . 1 . . . A 18 ASP CB . 19476 1
stop_
save_