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 31219
_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 TOCSY' . . . 31219 1
2 '2D NOESY' . . . 31219 1
3 '2D 1H-15N HSQC' . . . 31219 1
4 '2D 1H-13C HSQC aliphatic' . . . 31219 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 ASP HA H 1 4.285 0.003 . 1 . . . . A 1 ASP HA . 31219 1
2 . 1 . 1 1 1 ASP HB2 H 1 3.035 0.015 . 2 . . . . A 1 ASP HB2 . 31219 1
3 . 1 . 1 1 1 ASP HB3 H 1 3.052 0.004 . 2 . . . . A 1 ASP HB3 . 31219 1
4 . 1 . 1 1 1 ASP CA C 13 52.924 0.000 . 1 . . . . A 1 ASP CA . 31219 1
5 . 1 . 1 1 1 ASP CB C 13 38.921 0.001 . 1 . . . . A 1 ASP CB . 31219 1
6 . 1 . 1 2 2 CYS H H 1 9.000 0.003 . 1 . . . . A 2 CYS H . 31219 1
7 . 1 . 1 2 2 CYS HA H 1 4.421 0.002 . 1 . . . . A 2 CYS HA . 31219 1
8 . 1 . 1 2 2 CYS HB2 H 1 2.799 0.006 . 2 . . . . A 2 CYS HB2 . 31219 1
9 . 1 . 1 2 2 CYS HB3 H 1 3.300 0.003 . 2 . . . . A 2 CYS HB3 . 31219 1
10 . 1 . 1 2 2 CYS CA C 13 59.157 0.000 . 1 . . . . A 2 CYS CA . 31219 1
11 . 1 . 1 2 2 CYS CB C 13 42.439 0.001 . 1 . . . . A 2 CYS CB . 31219 1
12 . 1 . 1 2 2 CYS N N 15 119.710 0.000 . 1 . . . . A 2 CYS N . 31219 1
13 . 1 . 1 3 3 CYS H H 1 7.915 0.003 . 1 . . . . A 3 CYS H . 31219 1
14 . 1 . 1 3 3 CYS HA H 1 4.767 0.007 . 1 . . . . A 3 CYS HA . 31219 1
15 . 1 . 1 3 3 CYS HB2 H 1 2.816 0.005 . 2 . . . . A 3 CYS HB2 . 31219 1
16 . 1 . 1 3 3 CYS HB3 H 1 3.527 0.006 . 2 . . . . A 3 CYS HB3 . 31219 1
17 . 1 . 1 3 3 CYS CA C 13 54.637 0.000 . 1 . . . . A 3 CYS CA . 31219 1
18 . 1 . 1 3 3 CYS CB C 13 35.281 0.004 . 1 . . . . A 3 CYS CB . 31219 1
19 . 1 . 1 3 3 CYS N N 15 109.771 0.000 . 1 . . . . A 3 CYS N . 31219 1
20 . 1 . 1 4 4 SER H H 1 7.658 0.003 . 1 . . . . A 4 SER H . 31219 1
21 . 1 . 1 4 4 SER HA H 1 4.789 0.009 . 1 . . . . A 4 SER HA . 31219 1
22 . 1 . 1 4 4 SER HB2 H 1 3.975 0.002 . 2 . . . . A 4 SER HB2 . 31219 1
23 . 1 . 1 4 4 SER HB3 H 1 4.087 0.004 . 2 . . . . A 4 SER HB3 . 31219 1
24 . 1 . 1 4 4 SER CA C 13 57.921 0.000 . 1 . . . . A 4 SER CA . 31219 1
25 . 1 . 1 4 4 SER CB C 13 64.113 0.027 . 1 . . . . A 4 SER CB . 31219 1
26 . 1 . 1 4 4 SER N N 15 112.766 0.000 . 1 . . . . A 4 SER N . 31219 1
27 . 1 . 1 5 5 GLU H H 1 8.134 0.004 . 1 . . . . A 5 GLU H . 31219 1
28 . 1 . 1 5 5 GLU HA H 1 5.146 0.005 . 1 . . . . A 5 GLU HA . 31219 1
29 . 1 . 1 5 5 GLU HB2 H 1 1.967 0.005 . 2 . . . . A 5 GLU HB2 . 31219 1
30 . 1 . 1 5 5 GLU HB3 H 1 2.540 0.003 . 2 . . . . A 5 GLU HB3 . 31219 1
31 . 1 . 1 5 5 GLU HG2 H 1 2.489 0.014 . 2 . . . . A 5 GLU HG2 . 31219 1
32 . 1 . 1 5 5 GLU HG3 H 1 2.638 0.006 . 2 . . . . A 5 GLU HG3 . 31219 1
33 . 1 . 1 5 5 GLU CA C 13 51.879 0.000 . 1 . . . . A 5 GLU CA . 31219 1
34 . 1 . 1 5 5 GLU CB C 13 29.927 0.013 . 1 . . . . A 5 GLU CB . 31219 1
35 . 1 . 1 5 5 GLU CG C 13 31.956 0.004 . 1 . . . . A 5 GLU CG . 31219 1
36 . 1 . 1 5 5 GLU N N 15 121.093 0.000 . 1 . . . . A 5 GLU N . 31219 1
37 . 1 . 1 6 6 PRO HA H 1 4.389 0.002 . 1 . . . . A 6 PRO HA . 31219 1
38 . 1 . 1 6 6 PRO HB2 H 1 2.045 0.006 . 2 . . . . A 6 PRO HB2 . 31219 1
39 . 1 . 1 6 6 PRO HB3 H 1 2.356 0.002 . 2 . . . . A 6 PRO HB3 . 31219 1
40 . 1 . 1 6 6 PRO HG2 H 1 2.046 0.007 . 2 . . . . A 6 PRO HG2 . 31219 1
41 . 1 . 1 6 6 PRO HG3 H 1 2.295 0.003 . 2 . . . . A 6 PRO HG3 . 31219 1
42 . 1 . 1 6 6 PRO HD2 H 1 3.800 0.003 . 2 . . . . A 6 PRO HD2 . 31219 1
43 . 1 . 1 6 6 PRO HD3 H 1 4.186 0.003 . 2 . . . . A 6 PRO HD3 . 31219 1
44 . 1 . 1 6 6 PRO CA C 13 67.442 0.000 . 1 . . . . A 6 PRO CA . 31219 1
45 . 1 . 1 6 6 PRO CB C 13 28.945 0.002 . 1 . . . . A 6 PRO CB . 31219 1
46 . 1 . 1 6 6 PRO CG C 13 27.109 0.000 . 1 . . . . A 6 PRO CG . 31219 1
47 . 1 . 1 6 6 PRO CD C 13 50.306 0.007 . 1 . . . . A 6 PRO CD . 31219 1
48 . 1 . 1 7 7 PRO HA H 1 4.317 0.002 . 1 . . . . A 7 PRO HA . 31219 1
49 . 1 . 1 7 7 PRO HB2 H 1 1.794 0.007 . 2 . . . . A 7 PRO HB2 . 31219 1
50 . 1 . 1 7 7 PRO HB3 H 1 2.328 0.008 . 2 . . . . A 7 PRO HB3 . 31219 1
51 . 1 . 1 7 7 PRO HG2 H 1 2.051 0.004 . 2 . . . . A 7 PRO HG2 . 31219 1
52 . 1 . 1 7 7 PRO HG3 H 1 2.051 0.004 . 2 . . . . A 7 PRO HG3 . 31219 1
53 . 1 . 1 7 7 PRO HD2 H 1 3.380 0.003 . 2 . . . . A 7 PRO HD2 . 31219 1
54 . 1 . 1 7 7 PRO HD3 H 1 3.665 0.005 . 2 . . . . A 7 PRO HD3 . 31219 1
55 . 1 . 1 7 7 PRO CA C 13 66.058 0.000 . 1 . . . . A 7 PRO CA . 31219 1
56 . 1 . 1 7 7 PRO CB C 13 30.552 0.006 . 1 . . . . A 7 PRO CB . 31219 1
57 . 1 . 1 7 7 PRO CG C 13 28.153 0.000 . 1 . . . . A 7 PRO CG . 31219 1
58 . 1 . 1 7 7 PRO CD C 13 49.534 0.010 . 1 . . . . A 7 PRO CD . 31219 1
59 . 1 . 1 8 8 CYS H H 1 7.491 0.003 . 1 . . . . A 8 CYS H . 31219 1
60 . 1 . 1 8 8 CYS HA H 1 4.221 0.002 . 1 . . . . A 8 CYS HA . 31219 1
61 . 1 . 1 8 8 CYS HB2 H 1 3.203 0.003 . 2 . . . . A 8 CYS HB2 . 31219 1
62 . 1 . 1 8 8 CYS HB3 H 1 4.511 0.001 . 2 . . . . A 8 CYS HB3 . 31219 1
63 . 1 . 1 8 8 CYS CA C 13 60.788 0.000 . 1 . . . . A 8 CYS CA . 31219 1
64 . 1 . 1 8 8 CYS CB C 13 42.670 0.004 . 1 . . . . A 8 CYS CB . 31219 1
65 . 1 . 1 8 8 CYS N N 15 116.033 0.000 . 1 . . . . A 8 CYS N . 31219 1
66 . 1 . 1 9 9 ILE H H 1 8.178 0.003 . 1 . . . . A 9 ILE H . 31219 1
67 . 1 . 1 9 9 ILE HA H 1 3.480 0.004 . 1 . . . . A 9 ILE HA . 31219 1
68 . 1 . 1 9 9 ILE HB H 1 1.947 0.006 . 1 . . . . A 9 ILE HB . 31219 1
69 . 1 . 1 9 9 ILE HG12 H 1 0.998 0.002 . 2 . . . . A 9 ILE HG12 . 31219 1
70 . 1 . 1 9 9 ILE HG13 H 1 2.031 0.003 . 2 . . . . A 9 ILE HG13 . 31219 1
71 . 1 . 1 9 9 ILE HG21 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG21 . 31219 1
72 . 1 . 1 9 9 ILE HG22 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG22 . 31219 1
73 . 1 . 1 9 9 ILE HG23 H 1 0.853 0.004 . 1 . . . . A 9 ILE HG23 . 31219 1
74 . 1 . 1 9 9 ILE HD11 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD11 . 31219 1
75 . 1 . 1 9 9 ILE HD12 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD12 . 31219 1
76 . 1 . 1 9 9 ILE HD13 H 1 0.780 0.005 . 1 . . . . A 9 ILE HD13 . 31219 1
77 . 1 . 1 9 9 ILE CA C 13 66.007 0.000 . 1 . . . . A 9 ILE CA . 31219 1
78 . 1 . 1 9 9 ILE CB C 13 38.926 0.000 . 1 . . . . A 9 ILE CB . 31219 1
79 . 1 . 1 9 9 ILE CG1 C 13 29.691 0.024 . 1 . . . . A 9 ILE CG1 . 31219 1
80 . 1 . 1 9 9 ILE CG2 C 13 16.987 0.000 . 1 . . . . A 9 ILE CG2 . 31219 1
81 . 1 . 1 9 9 ILE CD1 C 13 13.796 0.000 . 1 . . . . A 9 ILE CD1 . 31219 1
82 . 1 . 1 9 9 ILE N N 15 122.699 0.000 . 1 . . . . A 9 ILE N . 31219 1
83 . 1 . 1 10 10 LEU H H 1 7.852 0.004 . 1 . . . . A 10 LEU H . 31219 1
84 . 1 . 1 10 10 LEU HA H 1 3.983 0.003 . 1 . . . . A 10 LEU HA . 31219 1
85 . 1 . 1 10 10 LEU HB2 H 1 1.516 0.007 . 2 . . . . A 10 LEU HB2 . 31219 1
86 . 1 . 1 10 10 LEU HB3 H 1 1.761 0.005 . 2 . . . . A 10 LEU HB3 . 31219 1
87 . 1 . 1 10 10 LEU HG H 1 1.796 0.000 . 1 . . . . A 10 LEU HG . 31219 1
88 . 1 . 1 10 10 LEU HD11 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD11 . 31219 1
89 . 1 . 1 10 10 LEU HD12 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD12 . 31219 1
90 . 1 . 1 10 10 LEU HD13 H 1 0.866 0.007 . 2 . . . . A 10 LEU HD13 . 31219 1
91 . 1 . 1 10 10 LEU HD21 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD21 . 31219 1
92 . 1 . 1 10 10 LEU HD22 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD22 . 31219 1
93 . 1 . 1 10 10 LEU HD23 H 1 0.863 0.006 . 2 . . . . A 10 LEU HD23 . 31219 1
94 . 1 . 1 10 10 LEU CA C 13 57.383 0.000 . 1 . . . . A 10 LEU CA . 31219 1
95 . 1 . 1 10 10 LEU CB C 13 42.077 0.001 . 1 . . . . A 10 LEU CB . 31219 1
96 . 1 . 1 10 10 LEU CG C 13 27.007 0.000 . 1 . . . . A 10 LEU CG . 31219 1
97 . 1 . 1 10 10 LEU CD1 C 13 22.545 0.000 . 1 . . . . A 10 LEU CD1 . 31219 1
98 . 1 . 1 10 10 LEU CD2 C 13 24.347 0.000 . 1 . . . . A 10 LEU CD2 . 31219 1
99 . 1 . 1 10 10 LEU N N 15 115.408 0.000 . 1 . . . . A 10 LEU N . 31219 1
100 . 1 . 1 11 11 GLN H H 1 7.140 0.006 . 1 . . . . A 11 GLN H . 31219 1
101 . 1 . 1 11 11 GLN HA H 1 4.285 0.004 . 1 . . . . A 11 GLN HA . 31219 1
102 . 1 . 1 11 11 GLN HB2 H 1 2.086 0.003 . 2 . . . . A 11 GLN HB2 . 31219 1
103 . 1 . 1 11 11 GLN HB3 H 1 2.283 0.003 . 2 . . . . A 11 GLN HB3 . 31219 1
104 . 1 . 1 11 11 GLN HG2 H 1 2.388 0.004 . 2 . . . . A 11 GLN HG2 . 31219 1
105 . 1 . 1 11 11 GLN HG3 H 1 2.634 0.005 . 2 . . . . A 11 GLN HG3 . 31219 1
106 . 1 . 1 11 11 GLN CA C 13 56.751 0.000 . 1 . . . . A 11 GLN CA . 31219 1
107 . 1 . 1 11 11 GLN CB C 13 30.663 0.001 . 1 . . . . A 11 GLN CB . 31219 1
108 . 1 . 1 11 11 GLN CG C 13 34.613 0.001 . 1 . . . . A 11 GLN CG . 31219 1
109 . 1 . 1 11 11 GLN N N 15 113.441 0.000 . 1 . . . . A 11 GLN N . 31219 1
110 . 1 . 1 12 12 ASN H H 1 7.724 0.003 . 1 . . . . A 12 ASN H . 31219 1
111 . 1 . 1 12 12 ASN HA H 1 5.348 0.003 . 1 . . . . A 12 ASN HA . 31219 1
112 . 1 . 1 12 12 ASN HB2 H 1 2.650 0.011 . 2 . . . . A 12 ASN HB2 . 31219 1
113 . 1 . 1 12 12 ASN HB3 H 1 2.832 0.002 . 2 . . . . A 12 ASN HB3 . 31219 1
114 . 1 . 1 12 12 ASN CA C 13 51.860 0.000 . 1 . . . . A 12 ASN CA . 31219 1
115 . 1 . 1 12 12 ASN CB C 13 40.645 0.009 . 1 . . . . A 12 ASN CB . 31219 1
116 . 1 . 1 12 12 ASN N N 15 116.387 0.000 . 1 . . . . A 12 ASN N . 31219 1
117 . 1 . 1 13 13 PRO HA H 1 4.439 0.002 . 1 . . . . A 13 PRO HA . 31219 1
118 . 1 . 1 13 13 PRO HB2 H 1 1.982 0.000 . 2 . . . . A 13 PRO HB2 . 31219 1
119 . 1 . 1 13 13 PRO HB3 H 1 2.349 0.003 . 2 . . . . A 13 PRO HB3 . 31219 1
120 . 1 . 1 13 13 PRO HG2 H 1 1.991 0.006 . 2 . . . . A 13 PRO HG2 . 31219 1
121 . 1 . 1 13 13 PRO HG3 H 1 2.096 0.000 . 2 . . . . A 13 PRO HG3 . 31219 1
122 . 1 . 1 13 13 PRO HD2 H 1 3.552 0.004 . 2 . . . . A 13 PRO HD2 . 31219 1
123 . 1 . 1 13 13 PRO HD3 H 1 3.683 0.004 . 2 . . . . A 13 PRO HD3 . 31219 1
124 . 1 . 1 13 13 PRO CA C 13 65.603 0.000 . 1 . . . . A 13 PRO CA . 31219 1
125 . 1 . 1 13 13 PRO CB C 13 31.273 0.003 . 1 . . . . A 13 PRO CB . 31219 1
126 . 1 . 1 13 13 PRO CG C 13 27.335 0.000 . 1 . . . . A 13 PRO CG . 31219 1
127 . 1 . 1 13 13 PRO CD C 13 50.527 0.010 . 1 . . . . A 13 PRO CD . 31219 1
128 . 1 . 1 14 14 ASP H H 1 8.511 0.003 . 1 . . . . A 14 ASP H . 31219 1
129 . 1 . 1 14 14 ASP HA H 1 4.528 0.002 . 1 . . . . A 14 ASP HA . 31219 1
130 . 1 . 1 14 14 ASP HB2 H 1 2.950 0.003 . 2 . . . . A 14 ASP HB2 . 31219 1
131 . 1 . 1 14 14 ASP HB3 H 1 2.950 0.003 . 2 . . . . A 14 ASP HB3 . 31219 1
132 . 1 . 1 14 14 ASP CA C 13 54.773 0.000 . 1 . . . . A 14 ASP CA . 31219 1
133 . 1 . 1 14 14 ASP CB C 13 37.164 0.000 . 1 . . . . A 14 ASP CB . 31219 1
134 . 1 . 1 14 14 ASP N N 15 114.545 0.000 . 1 . . . . A 14 ASP N . 31219 1
135 . 1 . 1 15 15 ILE H H 1 7.399 0.004 . 1 . . . . A 15 ILE H . 31219 1
136 . 1 . 1 15 15 ILE HA H 1 4.233 0.003 . 1 . . . . A 15 ILE HA . 31219 1
137 . 1 . 1 15 15 ILE HB H 1 1.973 0.004 . 1 . . . . A 15 ILE HB . 31219 1
138 . 1 . 1 15 15 ILE HG12 H 1 1.237 0.006 . 2 . . . . A 15 ILE HG12 . 31219 1
139 . 1 . 1 15 15 ILE HG13 H 1 1.586 0.002 . 2 . . . . A 15 ILE HG13 . 31219 1
140 . 1 . 1 15 15 ILE HG21 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG21 . 31219 1
141 . 1 . 1 15 15 ILE HG22 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG22 . 31219 1
142 . 1 . 1 15 15 ILE HG23 H 1 0.927 0.003 . 1 . . . . A 15 ILE HG23 . 31219 1
143 . 1 . 1 15 15 ILE HD11 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD11 . 31219 1
144 . 1 . 1 15 15 ILE HD12 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD12 . 31219 1
145 . 1 . 1 15 15 ILE HD13 H 1 0.857 0.000 . 1 . . . . A 15 ILE HD13 . 31219 1
146 . 1 . 1 15 15 ILE CA C 13 62.465 0.000 . 1 . . . . A 15 ILE CA . 31219 1
147 . 1 . 1 15 15 ILE CB C 13 38.925 0.000 . 1 . . . . A 15 ILE CB . 31219 1
148 . 1 . 1 15 15 ILE CG1 C 13 27.571 0.009 . 1 . . . . A 15 ILE CG1 . 31219 1
149 . 1 . 1 15 15 ILE CG2 C 13 17.357 0.000 . 1 . . . . A 15 ILE CG2 . 31219 1
150 . 1 . 1 15 15 ILE CD1 C 13 12.160 0.000 . 1 . . . . A 15 ILE CD1 . 31219 1
151 . 1 . 1 15 15 ILE N N 15 116.436 0.000 . 1 . . . . A 15 ILE N . 31219 1
152 . 1 . 1 16 16 CYS H H 1 7.711 0.006 . 1 . . . . A 16 CYS H . 31219 1
153 . 1 . 1 16 16 CYS HA H 1 4.926 0.006 . 1 . . . . A 16 CYS HA . 31219 1
154 . 1 . 1 16 16 CYS HB2 H 1 2.602 0.003 . 2 . . . . A 16 CYS HB2 . 31219 1
155 . 1 . 1 16 16 CYS HB3 H 1 3.339 0.005 . 2 . . . . A 16 CYS HB3 . 31219 1
156 . 1 . 1 16 16 CYS CA C 13 53.381 0.000 . 1 . . . . A 16 CYS CA . 31219 1
157 . 1 . 1 16 16 CYS CB C 13 38.686 0.002 . 1 . . . . A 16 CYS CB . 31219 1
158 . 1 . 1 16 16 CYS N N 15 116.626 0.000 . 1 . . . . A 16 CYS N . 31219 1
stop_
save_