Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30811
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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 TOCSY' . . . 30811 1
2 '2D 1H-1H NOESY' . . . 30811 1
3 '2D DQF-COSY' . . . 30811 1
4 '2D 1H-15N soFastHMQC' . . . 30811 1
5 '2D 1H-1H NOESY' . . . 30811 1
6 '2D 1H-13C HSQC' . . . 30811 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 HA2 H 1 3.902 0.005 . 2 . . . . A 1 GLY HA2 . 30811 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.836 0.005 . 2 . . . . A 1 GLY HA3 . 30811 1
3 . 1 . 1 1 1 GLY CA C 13 40.374 0.028 . 1 . . . . A 1 GLY CA . 30811 1
4 . 1 . 1 2 2 ABA H H 1 8.827 0.004 . 1 . . . . A 2 ABA H . 30811 1
5 . 1 . 1 2 2 ABA N N 15 119.978 0.000 . 1 . . . . A 2 ABA N . 30811 1
6 . 1 . 1 2 2 ABA CA C 13 53.154 0.000 . 1 . . . . A 2 ABA CA . 30811 1
7 . 1 . 1 2 2 ABA CB C 13 20.759 0.015 . 1 . . . . A 2 ABA CB . 30811 1
8 . 1 . 1 2 2 ABA HA H 1 4.408 0.003 . 1 . . . . A 2 ABA HA . 30811 1
9 . 1 . 1 2 2 ABA HB2 H 1 2.645 0.013 . 2 . . . . A 2 ABA HB2 . 30811 1
10 . 1 . 1 2 2 ABA HB3 H 1 2.546 0.002 . 2 . . . . A 2 ABA HB3 . 30811 1
11 . 1 . 1 3 3 CYS H H 1 8.336 0.004 . 1 . . . . A 3 CYS H . 30811 1
12 . 1 . 1 3 3 CYS HA H 1 4.800 0.014 . 1 . . . . A 3 CYS HA . 30811 1
13 . 1 . 1 3 3 CYS HB2 H 1 3.543 0.007 . 2 . . . . A 3 CYS HB2 . 30811 1
14 . 1 . 1 3 3 CYS HB3 H 1 3.445 0.010 . 2 . . . . A 3 CYS HB3 . 30811 1
15 . 1 . 1 3 3 CYS CA C 13 49.570 0.000 . 1 . . . . A 3 CYS CA . 30811 1
16 . 1 . 1 3 3 CYS CB C 13 38.064 0.004 . 1 . . . . A 3 CYS CB . 30811 1
17 . 1 . 1 3 3 CYS N N 15 116.239 0.000 . 1 . . . . A 3 CYS N . 30811 1
18 . 1 . 1 4 4 SER H H 1 8.565 0.004 . 1 . . . . A 4 SER H . 30811 1
19 . 1 . 1 4 4 SER HA H 1 4.303 0.005 . 1 . . . . A 4 SER HA . 30811 1
20 . 1 . 1 4 4 SER HB2 H 1 3.931 0.008 . 1 . . . . A 4 SER HB2 . 30811 1
21 . 1 . 1 4 4 SER CA C 13 56.548 0.000 . 1 . . . . A 4 SER CA . 30811 1
22 . 1 . 1 4 4 SER CB C 13 59.974 0.000 . 1 . . . . A 4 SER CB . 30811 1
23 . 1 . 1 4 4 SER N N 15 114.771 0.000 . 1 . . . . A 4 SER N . 30811 1
24 . 1 . 1 5 5 ASP H H 1 7.427 0.002 . 1 . . . . A 5 ASP H . 30811 1
25 . 1 . 1 5 5 ASP HA H 1 4.793 0.009 . 1 . . . . A 5 ASP HA . 30811 1
26 . 1 . 1 5 5 ASP HB2 H 1 2.616 0.002 . 1 . . . . A 5 ASP HB2 . 30811 1
27 . 1 . 1 5 5 ASP CA C 13 53.827 0.000 . 1 . . . . A 5 ASP CA . 30811 1
28 . 1 . 1 5 5 ASP CB C 13 40.356 0.000 . 1 . . . . A 5 ASP CB . 30811 1
29 . 1 . 1 5 5 ASP N N 15 123.881 0.000 . 1 . . . . A 5 ASP N . 30811 1
30 . 1 . 1 6 6 PRO HA H 1 4.456 0.004 . 1 . . . . A 6 PRO HA . 30811 1
31 . 1 . 1 6 6 PRO HB2 H 1 2.416 0.005 . 1 . . . . A 6 PRO HB2 . 30811 1
32 . 1 . 1 6 6 PRO HG2 H 1 2.070 0.013 . 2 . . . . A 6 PRO HG2 . 30811 1
33 . 1 . 1 6 6 PRO HG3 H 1 2.013 0.007 . 2 . . . . A 6 PRO HG3 . 30811 1
34 . 1 . 1 6 6 PRO HD2 H 1 3.893 0.007 . 2 . . . . A 6 PRO HD2 . 30811 1
35 . 1 . 1 6 6 PRO HD3 H 1 3.821 0.004 . 2 . . . . A 6 PRO HD3 . 30811 1
36 . 1 . 1 6 6 PRO CA C 13 61.808 0.000 . 1 . . . . A 6 PRO CA . 30811 1
37 . 1 . 1 6 6 PRO CB C 13 29.500 0.000 . 1 . . . . A 6 PRO CB . 30811 1
38 . 1 . 1 6 6 PRO CG C 13 25.697 0.019 . 1 . . . . A 6 PRO CG . 30811 1
39 . 1 . 1 6 6 PRO CD C 13 48.543 0.026 . 1 . . . . A 6 PRO CD . 30811 1
40 . 1 . 1 7 7 ARG H H 1 8.964 0.006 . 1 . . . . A 7 ARG H . 30811 1
41 . 1 . 1 7 7 ARG HA H 1 4.208 0.008 . 1 . . . . A 7 ARG HA . 30811 1
42 . 1 . 1 7 7 ARG HB2 H 1 1.707 0.004 . 1 . . . . A 7 ARG HB2 . 30811 1
43 . 1 . 1 7 7 ARG HB3 H 1 1.904 0.006 . 1 . . . . A 7 ARG HB3 . 30811 1
44 . 1 . 1 7 7 ARG HG2 H 1 1.634 0.005 . 2 . . . . A 7 ARG HG2 . 30811 1
45 . 1 . 1 7 7 ARG HG3 H 1 1.700 0.000 . 2 . . . . A 7 ARG HG3 . 30811 1
46 . 1 . 1 7 7 ARG HD2 H 1 3.259 0.008 . 2 . . . . A 7 ARG HD2 . 30811 1
47 . 1 . 1 7 7 ARG HD3 H 1 3.102 0.004 . 2 . . . . A 7 ARG HD3 . 30811 1
48 . 1 . 1 7 7 ARG HE H 1 7.741 0.002 . 1 . . . . A 7 ARG HE . 30811 1
49 . 1 . 1 7 7 ARG CA C 13 53.924 0.000 . 1 . . . . A 7 ARG CA . 30811 1
50 . 1 . 1 7 7 ARG CB C 13 27.450 0.036 . 1 . . . . A 7 ARG CB . 30811 1
51 . 1 . 1 7 7 ARG CG C 13 24.080 0.045 . 1 . . . . A 7 ARG CG . 30811 1
52 . 1 . 1 7 7 ARG CD C 13 40.515 0.032 . 1 . . . . A 7 ARG CD . 30811 1
53 . 1 . 1 7 7 ARG N N 15 117.335 0.000 . 1 . . . . A 7 ARG N . 30811 1
54 . 1 . 1 8 8 ABA H H 1 7.936 0.002 . 1 . . . . A 8 ABA H . 30811 1
55 . 1 . 1 8 8 ABA N N 15 117.815 0.000 . 1 . . . . A 8 ABA N . 30811 1
56 . 1 . 1 8 8 ABA CA C 13 53.314 0.000 . 1 . . . . A 8 ABA CA . 30811 1
57 . 1 . 1 8 8 ABA CB C 13 21.469 0.032 . 1 . . . . A 8 ABA CB . 30811 1
58 . 1 . 1 8 8 ABA HA H 1 4.179 0.002 . 1 . . . . A 8 ABA HA . 30811 1
59 . 1 . 1 8 8 ABA HB2 H 1 2.826 0.004 . 2 . . . . A 8 ABA HB2 . 30811 1
60 . 1 . 1 8 8 ABA HB3 H 1 2.703 0.002 . 2 . . . . A 8 ABA HB3 . 30811 1
61 . 1 . 1 9 9 ASN H H 1 7.975 0.002 . 1 . . . . A 9 ASN H . 30811 1
62 . 1 . 1 9 9 ASN HA H 1 4.662 0.008 . 1 . . . . A 9 ASN HA . 30811 1
63 . 1 . 1 9 9 ASN HB2 H 1 2.891 0.006 . 1 . . . . A 9 ASN HB2 . 30811 1
64 . 1 . 1 9 9 ASN HD21 H 1 7.568 0.004 . 1 . . . . A 9 ASN HD21 . 30811 1
65 . 1 . 1 9 9 ASN HD22 H 1 6.946 0.003 . 1 . . . . A 9 ASN HD22 . 30811 1
66 . 1 . 1 9 9 ASN CA C 13 50.196 0.000 . 1 . . . . A 9 ASN CA . 30811 1
67 . 1 . 1 9 9 ASN CB C 13 36.626 0.000 . 1 . . . . A 9 ASN CB . 30811 1
68 . 1 . 1 9 9 ASN N N 15 120.572 0.000 . 1 . . . . A 9 ASN N . 30811 1
69 . 1 . 1 9 9 ASN ND2 N 15 112.907 0.015 . 1 . . . . A 9 ASN ND2 . 30811 1
70 . 1 . 1 10 10 TYR H H 1 8.234 0.006 . 1 . . . . A 10 TYR H . 30811 1
71 . 1 . 1 10 10 TYR HA H 1 4.346 0.003 . 1 . . . . A 10 TYR HA . 30811 1
72 . 1 . 1 10 10 TYR HB2 H 1 3.103 0.001 . 2 . . . . A 10 TYR HB2 . 30811 1
73 . 1 . 1 10 10 TYR HB3 H 1 2.975 0.005 . 2 . . . . A 10 TYR HB3 . 30811 1
74 . 1 . 1 10 10 TYR HD1 H 1 7.159 0.005 . 1 . . . . A 10 TYR HD1 . 30811 1
75 . 1 . 1 10 10 TYR HD2 H 1 7.159 0.005 . 1 . . . . A 10 TYR HD2 . 30811 1
76 . 1 . 1 10 10 TYR HE1 H 1 6.847 0.005 . 1 . . . . A 10 TYR HE1 . 30811 1
77 . 1 . 1 10 10 TYR HE2 H 1 6.847 0.005 . 1 . . . . A 10 TYR HE2 . 30811 1
78 . 1 . 1 10 10 TYR CA C 13 56.653 0.000 . 1 . . . . A 10 TYR CA . 30811 1
79 . 1 . 1 10 10 TYR CB C 13 35.313 0.036 . 1 . . . . A 10 TYR CB . 30811 1
80 . 1 . 1 10 10 TYR CD1 C 13 130.373 0.000 . 1 . . . . A 10 TYR CD1 . 30811 1
81 . 1 . 1 10 10 TYR CD2 C 13 130.373 0.000 . 1 . . . . A 10 TYR CD2 . 30811 1
82 . 1 . 1 10 10 TYR CE1 C 13 115.436 0.000 . 1 . . . . A 10 TYR CE1 . 30811 1
83 . 1 . 1 10 10 TYR CE2 C 13 115.436 0.000 . 1 . . . . A 10 TYR CE2 . 30811 1
84 . 1 . 1 10 10 TYR N N 15 119.203 0.000 . 1 . . . . A 10 TYR N . 30811 1
85 . 1 . 1 11 11 ASP H H 1 8.202 0.001 . 1 . . . . A 11 ASP H . 30811 1
86 . 1 . 1 11 11 ASP HA H 1 4.475 0.003 . 1 . . . . A 11 ASP HA . 30811 1
87 . 1 . 1 11 11 ASP HB2 H 1 2.509 0.005 . 2 . . . . A 11 ASP HB2 . 30811 1
88 . 1 . 1 11 11 ASP HB3 H 1 2.579 0.014 . 2 . . . . A 11 ASP HB3 . 30811 1
89 . 1 . 1 11 11 ASP CA C 13 51.915 0.000 . 1 . . . . A 11 ASP CA . 30811 1
90 . 1 . 1 11 11 ASP CB C 13 37.673 0.010 . 1 . . . . A 11 ASP CB . 30811 1
91 . 1 . 1 11 11 ASP N N 15 117.538 0.000 . 1 . . . . A 11 ASP N . 30811 1
92 . 1 . 1 12 12 HIS H H 1 7.812 0.004 . 1 . . . . A 12 HIS H . 30811 1
93 . 1 . 1 12 12 HIS HA H 1 5.210 0.006 . 1 . . . . A 12 HIS HA . 30811 1
94 . 1 . 1 12 12 HIS HB2 H 1 3.065 0.009 . 1 . . . . A 12 HIS HB2 . 30811 1
95 . 1 . 1 12 12 HIS HB3 H 1 3.260 0.002 . 1 . . . . A 12 HIS HB3 . 30811 1
96 . 1 . 1 12 12 HIS HD2 H 1 7.304 0.018 . 1 . . . . A 12 HIS HD2 . 30811 1
97 . 1 . 1 12 12 HIS HE1 H 1 8.585 0.002 . 1 . . . . A 12 HIS HE1 . 30811 1
98 . 1 . 1 12 12 HIS CA C 13 50.948 0.000 . 1 . . . . A 12 HIS CA . 30811 1
99 . 1 . 1 12 12 HIS CB C 13 26.019 0.009 . 1 . . . . A 12 HIS CB . 30811 1
100 . 1 . 1 12 12 HIS CD2 C 13 117.269 0.000 . 1 . . . . A 12 HIS CD2 . 30811 1
101 . 1 . 1 12 12 HIS CE1 C 13 133.116 0.000 . 1 . . . . A 12 HIS CE1 . 30811 1
102 . 1 . 1 12 12 HIS N N 15 116.010 0.000 . 1 . . . . A 12 HIS N . 30811 1
103 . 1 . 1 13 13 PRO HA H 1 4.550 0.003 . 1 . . . . A 13 PRO HA . 30811 1
104 . 1 . 1 13 13 PRO HB2 H 1 2.209 0.004 . 1 . . . . A 13 PRO HB2 . 30811 1
105 . 1 . 1 13 13 PRO HG2 H 1 2.028 0.003 . 2 . . . . A 13 PRO HG2 . 30811 1
106 . 1 . 1 13 13 PRO HG3 H 1 1.962 0.003 . 2 . . . . A 13 PRO HG3 . 30811 1
107 . 1 . 1 13 13 PRO HD2 H 1 3.651 0.001 . 2 . . . . A 13 PRO HD2 . 30811 1
108 . 1 . 1 13 13 PRO HD3 H 1 3.495 0.003 . 2 . . . . A 13 PRO HD3 . 30811 1
109 . 1 . 1 13 13 PRO CA C 13 61.498 0.000 . 1 . . . . A 13 PRO CA . 30811 1
110 . 1 . 1 13 13 PRO CB C 13 29.240 0.000 . 1 . . . . A 13 PRO CB . 30811 1
111 . 1 . 1 13 13 PRO CG C 13 24.509 0.014 . 1 . . . . A 13 PRO CG . 30811 1
112 . 1 . 1 13 13 PRO CD C 13 47.504 0.003 . 1 . . . . A 13 PRO CD . 30811 1
113 . 1 . 1 14 14 GLU H H 1 9.586 0.010 . 1 . . . . A 14 GLU H . 30811 1
114 . 1 . 1 14 14 GLU HA H 1 4.268 0.003 . 1 . . . . A 14 GLU HA . 30811 1
115 . 1 . 1 14 14 GLU HB2 H 1 2.119 0.002 . 1 . . . . A 14 GLU HB2 . 30811 1
116 . 1 . 1 14 14 GLU HB3 H 1 2.018 0.003 . 1 . . . . A 14 GLU HB3 . 30811 1
117 . 1 . 1 14 14 GLU HG2 H 1 2.278 0.005 . 2 . . . . A 14 GLU HG2 . 30811 1
118 . 1 . 1 14 14 GLU HG3 H 1 2.465 0.005 . 2 . . . . A 14 GLU HG3 . 30811 1
119 . 1 . 1 14 14 GLU CA C 13 55.227 0.000 . 1 . . . . A 14 GLU CA . 30811 1
120 . 1 . 1 14 14 GLU CG C 13 32.360 0.000 . 1 . . . . A 14 GLU CG . 30811 1
121 . 1 . 1 14 14 GLU N N 15 122.393 0.000 . 1 . . . . A 14 GLU N . 30811 1
122 . 1 . 1 15 15 ILE H H 1 7.884 0.005 . 1 . . . . A 15 ILE H . 30811 1
123 . 1 . 1 15 15 ILE HA H 1 4.122 0.002 . 1 . . . . A 15 ILE HA . 30811 1
124 . 1 . 1 15 15 ILE HB H 1 1.948 0.005 . 1 . . . . A 15 ILE HB . 30811 1
125 . 1 . 1 15 15 ILE HG12 H 1 1.460 0.006 . 2 . . . . A 15 ILE HG12 . 30811 1
126 . 1 . 1 15 15 ILE HG13 H 1 1.244 0.007 . 2 . . . . A 15 ILE HG13 . 30811 1
127 . 1 . 1 15 15 ILE HG21 H 1 0.798 0.003 . 1 . . . . A 15 ILE HG21 . 30811 1
128 . 1 . 1 15 15 ILE HG22 H 1 0.798 0.003 . 1 . . . . A 15 ILE HG22 . 30811 1
129 . 1 . 1 15 15 ILE HG23 H 1 0.798 0.003 . 1 . . . . A 15 ILE HG23 . 30811 1
130 . 1 . 1 15 15 ILE HD11 H 1 0.798 0.005 . 1 . . . . A 15 ILE HD11 . 30811 1
131 . 1 . 1 15 15 ILE HD12 H 1 0.798 0.005 . 1 . . . . A 15 ILE HD12 . 30811 1
132 . 1 . 1 15 15 ILE HD13 H 1 0.798 0.005 . 1 . . . . A 15 ILE HD13 . 30811 1
133 . 1 . 1 15 15 ILE CA C 13 58.224 0.000 . 1 . . . . A 15 ILE CA . 30811 1
134 . 1 . 1 15 15 ILE CB C 13 35.310 0.000 . 1 . . . . A 15 ILE CB . 30811 1
135 . 1 . 1 15 15 ILE CG1 C 13 25.250 0.031 . 1 . . . . A 15 ILE CG1 . 30811 1
136 . 1 . 1 15 15 ILE CG2 C 13 15.422 0.000 . 1 . . . . A 15 ILE CG2 . 30811 1
137 . 1 . 1 15 15 ILE CD1 C 13 10.087 0.000 . 1 . . . . A 15 ILE CD1 . 30811 1
138 . 1 . 1 15 15 ILE N N 15 120.864 0.000 . 1 . . . . A 15 ILE N . 30811 1
139 . 1 . 1 16 16 CYS H H 1 7.966 0.006 . 1 . . . . A 16 CYS H . 30811 1
140 . 1 . 1 16 16 CYS HA H 1 4.534 0.008 . 1 . . . . A 16 CYS HA . 30811 1
141 . 1 . 1 16 16 CYS HB2 H 1 3.306 0.006 . 1 . . . . A 16 CYS HB2 . 30811 1
142 . 1 . 1 16 16 CYS HB3 H 1 3.000 0.004 . 1 . . . . A 16 CYS HB3 . 30811 1
143 . 1 . 1 16 16 CYS CA C 13 51.940 0.000 . 1 . . . . A 16 CYS CA . 30811 1
144 . 1 . 1 16 16 CYS CB C 13 37.915 0.006 . 1 . . . . A 16 CYS CB . 30811 1
145 . 1 . 1 16 16 CYS N N 15 120.881 0.000 . 1 . . . . A 16 CYS N . 30811 1
stop_
save_