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 17884
_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-13C HSQC' . . . 17884 1
2 '2D DQF-COSY' . . . 17884 1
3 '2D DQF-COSY' . . . 17884 1
4 '2D 1H-1H NOESY' . . . 17884 1
5 '2D 1H-1H NOESY' . . . 17884 1
6 '2D 1H-1H TOCSY' . . . 17884 1
7 '2D 1H-1H TOCSY' . . . 17884 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 ACE CH3 C 13 22.669 0.020 . 1 . . . B 0 ACE CH3 . 17884 1
2 . 1 1 1 1 ACE H1 H 1 1.867 0.003 . 2 . . . B 0 ACE H1 . 17884 1
3 . 1 1 1 1 ACE H2 H 1 1.867 0.003 . 2 . . . B 0 ACE H2 . 17884 1
4 . 1 1 1 1 ACE H3 H 1 1.867 0.003 . 2 . . . B 0 ACE H3 . 17884 1
5 . 1 1 2 2 ASP H H 1 8.230 0.005 . 1 . . . B 1 ASP H . 17884 1
6 . 1 1 2 2 ASP HA H 1 4.388 0.006 . 1 . . . B 1 ASP HA . 17884 1
7 . 1 1 2 2 ASP HB2 H 1 2.453 0.002 . 2 . . . B 1 ASP HB2 . 17884 1
8 . 1 1 2 2 ASP HB3 H 1 2.547 0.006 . 2 . . . B 1 ASP HB3 . 17884 1
9 . 1 1 2 2 ASP CA C 13 52.602 0.020 . 1 . . . B 1 ASP CA . 17884 1
10 . 1 1 2 2 ASP CB C 13 39.425 0.008 . 1 . . . B 1 ASP CB . 17884 1
11 . 1 1 3 3 ALA H H 1 8.360 0.007 . 1 . . . B 2 ALA H . 17884 1
12 . 1 1 3 3 ALA HA H 1 4.097 0.005 . 1 . . . B 2 ALA HA . 17884 1
13 . 1 1 3 3 ALA HB1 H 1 1.187 0.003 . 1 . . . B 2 ALA HB1 . 17884 1
14 . 1 1 3 3 ALA HB2 H 1 1.187 0.003 . 1 . . . B 2 ALA HB2 . 17884 1
15 . 1 1 3 3 ALA HB3 H 1 1.187 0.003 . 1 . . . B 2 ALA HB3 . 17884 1
16 . 1 1 3 3 ALA CA C 13 50.938 0.020 . 1 . . . B 2 ALA CA . 17884 1
17 . 1 1 3 3 ALA CB C 13 17.269 0.020 . 1 . . . B 2 ALA CB . 17884 1
18 . 1 1 4 4 GLU H H 1 8.289 0.009 . 1 . . . B 3 GLU H . 17884 1
19 . 1 1 4 4 GLU HA H 1 4.040 0.005 . 1 . . . B 3 GLU HA . 17884 1
20 . 1 1 4 4 GLU HB2 H 1 1.853 0.008 . 2 . . . B 3 GLU HB2 . 17884 1
21 . 1 1 4 4 GLU HB3 H 1 1.965 0.004 . 2 . . . B 3 GLU HB3 . 17884 1
22 . 1 1 4 4 GLU HG3 H 1 1.733 0.020 . 2 . . . B 3 GLU HG3 . 17884 1
23 . 1 1 5 5 PHE H H 1 8.238 0.005 . 1 . . . B 4 PHE H . 17884 1
24 . 1 1 5 5 PHE HA H 1 4.365 0.005 . 1 . . . B 4 PHE HA . 17884 1
25 . 1 1 5 5 PHE HB2 H 1 2.941 0.003 . 2 . . . B 4 PHE HB2 . 17884 1
26 . 1 1 5 5 PHE HB3 H 1 2.941 0.003 . 2 . . . B 4 PHE HB3 . 17884 1
27 . 1 1 5 5 PHE HD1 H 1 7.106 0.005 . 3 . . . B 4 PHE HD1 . 17884 1
28 . 1 1 5 5 PHE HD2 H 1 7.106 0.005 . 3 . . . B 4 PHE HD2 . 17884 1
29 . 1 1 5 5 PHE HE1 H 1 7.198 0.008 . 3 . . . B 4 PHE HE1 . 17884 1
30 . 1 1 5 5 PHE HE2 H 1 7.198 0.008 . 3 . . . B 4 PHE HE2 . 17884 1
31 . 1 1 5 5 PHE HZ H 1 7.149 0.004 . 1 . . . B 4 PHE HZ . 17884 1
32 . 1 1 5 5 PHE CB C 13 37.497 0.020 . 1 . . . B 4 PHE CB . 17884 1
33 . 1 1 5 5 PHE CD1 C 13 130.068 0.020 . 3 . . . B 4 PHE CD1 . 17884 1
34 . 1 1 5 5 PHE CD2 C 13 130.068 0.020 . 3 . . . B 4 PHE CD2 . 17884 1
35 . 1 1 5 5 PHE CE1 C 13 129.740 0.020 . 3 . . . B 4 PHE CE1 . 17884 1
36 . 1 1 5 5 PHE CE2 C 13 129.740 0.020 . 3 . . . B 4 PHE CE2 . 17884 1
37 . 1 1 5 5 PHE CZ C 13 128.226 0.020 . 1 . . . B 4 PHE CZ . 17884 1
38 . 1 1 6 6 GLY H H 1 8.353 0.003 . 1 . . . B 5 GLY H . 17884 1
39 . 1 1 6 6 GLY HA2 H 1 3.561 0.008 . 2 . . . B 5 GLY HA2 . 17884 1
40 . 1 1 6 6 GLY HA3 H 1 3.726 0.009 . 2 . . . B 5 GLY HA3 . 17884 1
41 . 1 1 6 6 GLY CA C 13 43.344 0.011 . 1 . . . B 5 GLY CA . 17884 1
42 . 1 1 7 7 HIS H H 1 8.090 0.005 . 1 . . . B 6 HIS H . 17884 1
43 . 1 1 7 7 HIS HA H 1 4.430 0.007 . 1 . . . B 6 HIS HA . 17884 1
44 . 1 1 7 7 HIS HB2 H 1 3.029 0.004 . 2 . . . B 6 HIS HB2 . 17884 1
45 . 1 1 7 7 HIS HB3 H 1 3.029 0.004 . 2 . . . B 6 HIS HB3 . 17884 1
46 . 1 1 7 7 HIS HD2 H 1 6.942 0.006 . 1 . . . B 6 HIS HD2 . 17884 1
47 . 1 1 8 8 ASP H H 1 8.425 0.004 . 1 . . . B 7 ASP H . 17884 1
48 . 1 1 8 8 ASP HA H 1 4.484 0.006 . 1 . . . B 7 ASP HA . 17884 1
49 . 1 1 8 8 ASP HB2 H 1 2.507 0.004 . 2 . . . B 7 ASP HB2 . 17884 1
50 . 1 1 8 8 ASP HB3 H 1 2.638 0.004 . 2 . . . B 7 ASP HB3 . 17884 1
51 . 1 1 8 8 ASP CA C 13 52.317 0.020 . 1 . . . B 7 ASP CA . 17884 1
52 . 1 1 9 9 SER H H 1 8.353 0.015 . 1 . . . B 8 SER H . 17884 1
53 . 1 1 9 9 SER HA H 1 4.188 0.006 . 1 . . . B 8 SER HA . 17884 1
54 . 1 1 9 9 SER HB2 H 1 3.729 0.005 . 2 . . . B 8 SER HB2 . 17884 1
55 . 1 1 9 9 SER HB3 H 1 3.777 0.005 . 2 . . . B 8 SER HB3 . 17884 1
56 . 1 1 9 9 SER CA C 13 57.528 0.020 . 1 . . . B 8 SER CA . 17884 1
57 . 1 1 9 9 SER CB C 13 61.930 0.008 . 1 . . . B 8 SER CB . 17884 1
58 . 1 1 10 10 GLY H H 1 8.420 0.004 . 1 . . . B 9 GLY H . 17884 1
59 . 1 1 10 10 GLY HA2 H 1 3.674 0.004 . 2 . . . B 9 GLY HA2 . 17884 1
60 . 1 1 10 10 GLY HA3 H 1 3.748 0.006 . 2 . . . B 9 GLY HA3 . 17884 1
61 . 1 1 10 10 GLY CA C 13 43.517 0.020 . 1 . . . B 9 GLY CA . 17884 1
62 . 1 1 11 11 PHE H H 1 7.964 0.003 . 1 . . . B 10 PHE H . 17884 1
63 . 1 1 11 11 PHE HA H 1 4.390 0.010 . 1 . . . B 10 PHE HA . 17884 1
64 . 1 1 11 11 PHE HB2 H 1 2.841 0.005 . 2 . . . B 10 PHE HB2 . 17884 1
65 . 1 1 11 11 PHE HB3 H 1 3.001 0.006 . 2 . . . B 10 PHE HB3 . 17884 1
66 . 1 1 11 11 PHE HD1 H 1 7.035 0.004 . 3 . . . B 10 PHE HD1 . 17884 1
67 . 1 1 11 11 PHE HD2 H 1 7.035 0.004 . 3 . . . B 10 PHE HD2 . 17884 1
68 . 1 1 11 11 PHE HE1 H 1 7.145 0.007 . 3 . . . B 10 PHE HE1 . 17884 1
69 . 1 1 11 11 PHE HE2 H 1 7.145 0.007 . 3 . . . B 10 PHE HE2 . 17884 1
70 . 1 1 11 11 PHE HZ H 1 7.095 0.007 . 1 . . . B 10 PHE HZ . 17884 1
71 . 1 1 11 11 PHE CA C 13 56.552 0.020 . 1 . . . B 10 PHE CA . 17884 1
72 . 1 1 11 11 PHE CB C 13 37.790 0.016 . 1 . . . B 10 PHE CB . 17884 1
73 . 1 1 11 11 PHE CD1 C 13 130.084 0.020 . 3 . . . B 10 PHE CD1 . 17884 1
74 . 1 1 11 11 PHE CD2 C 13 130.084 0.020 . 3 . . . B 10 PHE CD2 . 17884 1
75 . 1 1 11 11 PHE CE1 C 13 129.680 0.020 . 3 . . . B 10 PHE CE1 . 17884 1
76 . 1 1 11 11 PHE CE2 C 13 129.680 0.020 . 3 . . . B 10 PHE CE2 . 17884 1
77 . 1 1 11 11 PHE CZ C 13 128.030 0.020 . 1 . . . B 10 PHE CZ . 17884 1
78 . 1 1 12 12 GLU H H 1 8.353 0.001 . 1 . . . B 11 GLU H . 17884 1
79 . 1 1 12 12 GLU HA H 1 4.111 0.010 . 1 . . . B 11 GLU HA . 17884 1
80 . 1 1 12 12 GLU HB2 H 1 1.867 0.004 . 2 . . . B 11 GLU HB2 . 17884 1
81 . 1 1 12 12 GLU HB3 H 1 1.867 0.004 . 2 . . . B 11 GLU HB3 . 17884 1
82 . 1 1 12 12 GLU HG2 H 1 2.147 0.004 . 2 . . . B 11 GLU HG2 . 17884 1
83 . 1 1 12 12 GLU HG3 H 1 2.147 0.004 . 2 . . . B 11 GLU HG3 . 17884 1
84 . 1 1 13 13 VAL H H 1 8.152 0.016 . 1 . . . B 12 VAL H . 17884 1
85 . 1 1 13 13 VAL HA H 1 3.831 0.005 . 1 . . . B 12 VAL HA . 17884 1
86 . 1 1 13 13 VAL HB H 1 1.906 0.002 . 1 . . . B 12 VAL HB . 17884 1
87 . 1 1 13 13 VAL HG11 H 1 0.829 0.002 . 2 . . . B 12 VAL HG11 . 17884 1
88 . 1 1 13 13 VAL HG12 H 1 0.829 0.002 . 2 . . . B 12 VAL HG12 . 17884 1
89 . 1 1 13 13 VAL HG13 H 1 0.829 0.002 . 2 . . . B 12 VAL HG13 . 17884 1
90 . 1 1 13 13 VAL HG21 H 1 0.764 0.003 . 2 . . . B 12 VAL HG21 . 17884 1
91 . 1 1 13 13 VAL HG22 H 1 0.764 0.003 . 2 . . . B 12 VAL HG22 . 17884 1
92 . 1 1 13 13 VAL HG23 H 1 0.764 0.003 . 2 . . . B 12 VAL HG23 . 17884 1
93 . 1 1 13 13 VAL CA C 13 61.507 0.020 . 1 . . . B 12 VAL CA . 17884 1
94 . 1 1 13 13 VAL CB C 13 30.679 0.020 . 1 . . . B 12 VAL CB . 17884 1
95 . 1 1 13 13 VAL CG1 C 13 19.287 0.020 . 2 . . . B 12 VAL CG1 . 17884 1
96 . 1 1 13 13 VAL CG2 C 13 19.305 0.020 . 2 . . . B 12 VAL CG2 . 17884 1
97 . 1 1 14 14 ARG H H 1 8.158 0.008 . 1 . . . B 13 ARG H . 17884 1
98 . 1 1 14 14 ARG HA H 1 4.093 0.008 . 1 . . . B 13 ARG HA . 17884 1
99 . 1 1 14 14 ARG HB2 H 1 1.582 0.002 . 2 . . . B 13 ARG HB2 . 17884 1
100 . 1 1 14 14 ARG HB3 H 1 1.582 0.002 . 2 . . . B 13 ARG HB3 . 17884 1
101 . 1 1 14 14 ARG HG2 H 1 1.361 0.007 . 2 . . . B 13 ARG HG2 . 17884 1
102 . 1 1 14 14 ARG HG3 H 1 1.404 0.006 . 2 . . . B 13 ARG HG3 . 17884 1
103 . 1 1 14 14 ARG HD2 H 1 2.991 0.007 . 2 . . . B 13 ARG HD2 . 17884 1
104 . 1 1 14 14 ARG HD3 H 1 2.991 0.007 . 2 . . . B 13 ARG HD3 . 17884 1
105 . 1 1 14 14 ARG HE H 1 6.367 0.010 . 1 . . . B 13 ARG HE . 17884 1
106 . 1 1 14 14 ARG HH12 H 1 6.813 0.005 . 2 . . . B 13 ARG HH12 . 17884 1
107 . 1 1 14 14 ARG HH11 H 1 6.813 0.005 . 2 . . . B 13 ARG HH11 . 17884 1
108 . 1 1 14 14 ARG HH22 H 1 6.813 0.005 . 2 . . . B 13 ARG HH22 . 17884 1
109 . 1 1 14 14 ARG HH21 H 1 6.813 0.005 . 2 . . . B 13 ARG HH21 . 17884 1
110 . 1 1 14 14 ARG CA C 13 54.632 0.020 . 1 . . . B 13 ARG CA . 17884 1
111 . 1 1 14 14 ARG CD C 13 41.407 0.020 . 1 . . . B 13 ARG CD . 17884 1
112 . 1 1 15 15 HIS H H 1 8.287 0.005 . 1 . . . B 14 HIS H . 17884 1
113 . 1 1 15 15 HIS HA H 1 4.531 0.009 . 1 . . . B 14 HIS HA . 17884 1
114 . 1 1 15 15 HIS HB2 H 1 2.918 0.006 . 2 . . . B 14 HIS HB2 . 17884 1
115 . 1 1 15 15 HIS HB3 H 1 3.045 0.004 . 2 . . . B 14 HIS HB3 . 17884 1
116 . 1 1 15 15 HIS HD2 H 1 6.990 0.005 . 1 . . . B 14 HIS HD2 . 17884 1
117 . 1 1 16 16 GLN H H 1 8.286 0.007 . 1 . . . B 15 GLN H . 17884 1
118 . 1 1 16 16 GLN HA H 1 4.158 0.004 . 1 . . . B 15 GLN HA . 17884 1
119 . 1 1 16 16 GLN HB2 H 1 1.844 0.004 . 2 . . . B 15 GLN HB2 . 17884 1
120 . 1 1 16 16 GLN HB3 H 1 1.955 0.004 . 2 . . . B 15 GLN HB3 . 17884 1
121 . 1 1 16 16 GLN HG2 H 1 2.217 0.007 . 2 . . . B 15 GLN HG2 . 17884 1
122 . 1 1 16 16 GLN HG3 H 1 2.217 0.007 . 2 . . . B 15 GLN HG3 . 17884 1
123 . 1 1 16 16 GLN HE21 H 1 7.519 0.004 . 2 . . . B 15 GLN HE21 . 17884 1
124 . 1 1 16 16 GLN HE22 H 1 6.828 0.004 . 2 . . . B 15 GLN HE22 . 17884 1
125 . 1 1 16 16 GLN CA C 13 54.010 0.020 . 1 . . . B 15 GLN CA . 17884 1
126 . 1 1 16 16 GLN CG C 13 31.845 0.020 . 1 . . . B 15 GLN CG . 17884 1
127 . 1 1 17 17 LYS H H 1 8.424 0.006 . 1 . . . B 16 LYS H . 17884 1
128 . 1 1 17 17 LYS HA H 1 4.093 0.004 . 1 . . . B 16 LYS HA . 17884 1
129 . 1 1 17 17 LYS HB2 H 1 1.643 0.010 . 2 . . . B 16 LYS HB2 . 17884 1
130 . 1 1 17 17 LYS HB3 H 1 1.695 0.009 . 2 . . . B 16 LYS HB3 . 17884 1
131 . 1 1 17 17 LYS HG2 H 1 1.291 0.005 . 2 . . . B 16 LYS HG2 . 17884 1
132 . 1 1 17 17 LYS HG3 H 1 1.344 0.004 . 2 . . . B 16 LYS HG3 . 17884 1
133 . 1 1 17 17 LYS HD2 H 1 1.550 0.006 . 2 . . . B 16 LYS HD2 . 17884 1
134 . 1 1 17 17 LYS HD3 H 1 1.550 0.006 . 2 . . . B 16 LYS HD3 . 17884 1
135 . 1 1 17 17 LYS HE2 H 1 2.853 0.004 . 2 . . . B 16 LYS HE2 . 17884 1
136 . 1 1 17 17 LYS HE3 H 1 2.853 0.004 . 2 . . . B 16 LYS HE3 . 17884 1
137 . 1 1 17 17 LYS CB C 13 31.305 0.024 . 1 . . . B 16 LYS CB . 17884 1
138 . 1 1 17 17 LYS CG C 13 23.140 0.020 . 1 . . . B 16 LYS CG . 17884 1
139 . 1 1 17 17 LYS CD C 13 27.294 0.020 . 1 . . . B 16 LYS CD . 17884 1
140 . 1 1 17 17 LYS CE C 13 40.068 0.020 . 1 . . . B 16 LYS CE . 17884 1
141 . 1 1 18 18 NH2 HN1 H 1 7.616 0.002 . 2 . . . B 17 NH2 HN1 . 17884 1
142 . 1 1 18 18 NH2 HN2 H 1 7.104 0.004 . 2 . . . B 17 NH2 HN2 . 17884 1
stop_
save_