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 30667
_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' . . . 30667 1
2 '2D 1H-1H NOESY' . . . 30667 1
3 '2D 1H-15N HSQC' . . . 30667 1
4 '2D 1H-13C HSQC' . . . 30667 1
5 '2D 1H-1H E.COSY' . . . 30667 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 H H 1 8.423 0.003 . . . . . . A 1 GLY H1 . 30667 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.824 0.013 . . . . . . A 1 GLY HA2 . 30667 1
3 . 1 . 1 1 1 GLY HA3 H 1 4.287 0.012 . . . . . . A 1 GLY HA3 . 30667 1
4 . 1 . 1 1 1 GLY CA C 13 42.471 0.003 . . . . . . A 1 GLY CA . 30667 1
5 . 1 . 1 1 1 GLY N N 15 108.204 0.000 . . . . . . A 1 GLY N . 30667 1
6 . 1 . 1 2 2 LYS H H 1 7.833 0.010 . . . . . . A 2 LYS H . 30667 1
7 . 1 . 1 2 2 LYS HA H 1 4.475 0.008 . . . . . . A 2 LYS HA . 30667 1
8 . 1 . 1 2 2 LYS HB2 H 1 1.934 0.007 . . . . . . A 2 LYS HB2 . 30667 1
9 . 1 . 1 2 2 LYS HB3 H 1 1.935 0.007 . . . . . . A 2 LYS HB3 . 30667 1
10 . 1 . 1 2 2 LYS HG2 H 1 1.410 0.010 . . . . . . A 2 LYS HG2 . 30667 1
11 . 1 . 1 2 2 LYS HG3 H 1 1.353 0.008 . . . . . . A 2 LYS HG3 . 30667 1
12 . 1 . 1 2 2 LYS HD2 H 1 1.674 0.009 . . . . . . A 2 LYS HD2 . 30667 1
13 . 1 . 1 2 2 LYS HD3 H 1 1.681 0.009 . . . . . . A 2 LYS HD3 . 30667 1
14 . 1 . 1 2 2 LYS HE2 H 1 2.959 0.007 . . . . . . A 2 LYS HE2 . 30667 1
15 . 1 . 1 2 2 LYS HE3 H 1 2.959 0.007 . . . . . . A 2 LYS HE3 . 30667 1
16 . 1 . 1 2 2 LYS HZ1 H 1 7.533 0.003 . . . . . . A 2 LYS HZ1 . 30667 1
17 . 1 . 1 2 2 LYS HZ2 H 1 7.533 0.003 . . . . . . A 2 LYS HZ2 . 30667 1
18 . 1 . 1 2 2 LYS HZ3 H 1 7.533 0.003 . . . . . . A 2 LYS HZ3 . 30667 1
19 . 1 . 1 2 2 LYS CA C 13 53.091 0.000 . . . . . . A 2 LYS CA . 30667 1
20 . 1 . 1 2 2 LYS CB C 13 30.345 0.000 . . . . . . A 2 LYS CB . 30667 1
21 . 1 . 1 2 2 LYS CG C 13 22.416 0.001 . . . . . . A 2 LYS CG . 30667 1
22 . 1 . 1 2 2 LYS CD C 13 26.057 0.000 . . . . . . A 2 LYS CD . 30667 1
23 . 1 . 1 2 2 LYS CE C 13 39.345 0.000 . . . . . . A 2 LYS CE . 30667 1
24 . 1 . 1 2 2 LYS N N 15 121.155 0.000 . . . . . . A 2 LYS N . 30667 1
25 . 1 . 1 2 2 LYS NZ N 15 112.657 0.000 . . . . . . A 2 LYS NZ . 30667 1
26 . 1 . 1 3 3 CYS H H 1 8.451 0.002 . . . . . . A 3 CYS H . 30667 1
27 . 1 . 1 3 3 CYS HA H 1 5.507 0.012 . . . . . . A 3 CYS HA . 30667 1
28 . 1 . 1 3 3 CYS HB2 H 1 2.912 0.016 . . . . . . A 3 CYS HB2 . 30667 1
29 . 1 . 1 3 3 CYS HB3 H 1 2.599 0.005 . . . . . . A 3 CYS HB3 . 30667 1
30 . 1 . 1 3 3 CYS CA C 13 53.252 0.000 . . . . . . A 3 CYS CA . 30667 1
31 . 1 . 1 3 3 CYS CB C 13 45.846 0.011 . . . . . . A 3 CYS CB . 30667 1
32 . 1 . 1 3 3 CYS N N 15 119.064 0.000 . . . . . . A 3 CYS N . 30667 1
33 . 1 . 1 4 4 LEU H H 1 9.103 0.003 . . . . . . A 4 LEU H . 30667 1
34 . 1 . 1 4 4 LEU HA H 1 4.464 0.003 . . . . . . A 4 LEU HA . 30667 1
35 . 1 . 1 4 4 LEU HB2 H 1 1.705 0.015 . . . . . . A 4 LEU HB2 . 30667 1
36 . 1 . 1 4 4 LEU HB3 H 1 1.508 0.005 . . . . . . A 4 LEU HB3 . 30667 1
37 . 1 . 1 4 4 LEU HG H 1 1.688 0.008 . . . . . . A 4 LEU HG . 30667 1
38 . 1 . 1 4 4 LEU HD11 H 1 0.994 0.009 . . . . . . A 4 LEU HD11 . 30667 1
39 . 1 . 1 4 4 LEU HD12 H 1 0.994 0.009 . . . . . . A 4 LEU HD12 . 30667 1
40 . 1 . 1 4 4 LEU HD13 H 1 0.994 0.009 . . . . . . A 4 LEU HD13 . 30667 1
41 . 1 . 1 4 4 LEU HD21 H 1 0.951 0.007 . . . . . . A 4 LEU HD21 . 30667 1
42 . 1 . 1 4 4 LEU HD22 H 1 0.951 0.007 . . . . . . A 4 LEU HD22 . 30667 1
43 . 1 . 1 4 4 LEU HD23 H 1 0.951 0.007 . . . . . . A 4 LEU HD23 . 30667 1
44 . 1 . 1 4 4 LEU CA C 13 51.128 0.000 . . . . . . A 4 LEU CA . 30667 1
45 . 1 . 1 4 4 LEU CB C 13 40.791 0.007 . . . . . . A 4 LEU CB . 30667 1
46 . 1 . 1 4 4 LEU CG C 13 24.412 0.000 . . . . . . A 4 LEU CG . 30667 1
47 . 1 . 1 4 4 LEU CD1 C 13 22.358 0.000 . . . . . . A 4 LEU CD1 . 30667 1
48 . 1 . 1 4 4 LEU CD2 C 13 20.370 0.000 . . . . . . A 4 LEU CD2 . 30667 1
49 . 1 . 1 4 4 LEU N N 15 123.075 0.000 . . . . . . A 4 LEU N . 30667 1
50 . 1 . 1 5 5 PHE H H 1 8.613 0.001 . . . . . . A 5 PHE H . 30667 1
51 . 1 . 1 5 5 PHE HA H 1 4.650 0.015 . . . . . . A 5 PHE HA . 30667 1
52 . 1 . 1 5 5 PHE HB2 H 1 3.327 0.009 . . . . . . A 5 PHE HB2 . 30667 1
53 . 1 . 1 5 5 PHE HB3 H 1 3.063 0.005 . . . . . . A 5 PHE HB3 . 30667 1
54 . 1 . 1 5 5 PHE CA C 13 55.343 0.000 . . . . . . A 5 PHE CA . 30667 1
55 . 1 . 1 5 5 PHE CB C 13 34.573 0.000 . . . . . . A 5 PHE CB . 30667 1
56 . 1 . 1 5 5 PHE N N 15 121.978 0.000 . . . . . . A 5 PHE N . 30667 1
57 . 1 . 1 6 6 SER H H 1 7.464 0.002 . . . . . . A 6 SER H . 30667 1
58 . 1 . 1 6 6 SER HA H 1 4.359 0.006 . . . . . . A 6 SER HA . 30667 1
59 . 1 . 1 6 6 SER HB2 H 1 3.937 0.016 . . . . . . A 6 SER HB2 . 30667 1
60 . 1 . 1 6 6 SER HB3 H 1 3.735 0.004 . . . . . . A 6 SER HB3 . 30667 1
61 . 1 . 1 6 6 SER CA C 13 54.714 0.000 . . . . . . A 6 SER CA . 30667 1
62 . 1 . 1 6 6 SER CB C 13 61.869 0.001 . . . . . . A 6 SER CB . 30667 1
63 . 1 . 1 6 6 SER N N 15 114.975 0.000 . . . . . . A 6 SER N . 30667 1
64 . 1 . 1 7 7 ASN H H 1 8.342 0.002 . . . . . . A 7 ASN H . 30667 1
65 . 1 . 1 7 7 ASN HA H 1 5.031 0.006 . . . . . . A 7 ASN HA . 30667 1
66 . 1 . 1 7 7 ASN HB2 H 1 2.877 0.007 . . . . . . A 7 ASN HB2 . 30667 1
67 . 1 . 1 7 7 ASN HB3 H 1 2.632 0.007 . . . . . . A 7 ASN HB3 . 30667 1
68 . 1 . 1 7 7 ASN HD21 H 1 6.877 0.001 . . . . . . A 7 ASN HD21 . 30667 1
69 . 1 . 1 7 7 ASN HD22 H 1 7.582 0.001 . . . . . . A 7 ASN HD22 . 30667 1
70 . 1 . 1 7 7 ASN CA C 13 47.515 0.000 . . . . . . A 7 ASN CA . 30667 1
71 . 1 . 1 7 7 ASN CB C 13 37.243 0.011 . . . . . . A 7 ASN CB . 30667 1
72 . 1 . 1 7 7 ASN N N 15 117.304 0.000 . . . . . . A 7 ASN N . 30667 1
73 . 1 . 1 7 7 ASN ND2 N 15 112.209 0.006 . . . . . . A 7 ASN ND2 . 30667 1
74 . 1 . 1 8 8 PRO HA H 1 5.102 0.006 . . . . . . A 8 PRO HA . 30667 1
75 . 1 . 1 8 8 PRO HB2 H 1 2.413 0.007 . . . . . . A 8 PRO HB2 . 30667 1
76 . 1 . 1 8 8 PRO HB3 H 1 2.109 0.007 . . . . . . A 8 PRO HB3 . 30667 1
77 . 1 . 1 8 8 PRO HG2 H 1 1.961 0.007 . . . . . . A 8 PRO HG2 . 30667 1
78 . 1 . 1 8 8 PRO HG3 H 1 1.837 0.010 . . . . . . A 8 PRO HG3 . 30667 1
79 . 1 . 1 8 8 PRO HD2 H 1 3.600 0.005 . . . . . . A 8 PRO HD2 . 30667 1
80 . 1 . 1 8 8 PRO HD3 H 1 3.505 0.009 . . . . . . A 8 PRO HD3 . 30667 1
81 . 1 . 1 8 8 PRO CA C 13 59.797 0.000 . . . . . . A 8 PRO CA . 30667 1
82 . 1 . 1 8 8 PRO CB C 13 30.301 0.011 . . . . . . A 8 PRO CB . 30667 1
83 . 1 . 1 8 8 PRO CG C 13 21.862 0.004 . . . . . . A 8 PRO CG . 30667 1
84 . 1 . 1 8 8 PRO CD C 13 47.613 0.001 . . . . . . A 8 PRO CD . 30667 1
85 . 1 . 1 9 9 PRO HA H 1 4.430 0.015 . . . . . . A 9 PRO HA . 30667 1
86 . 1 . 1 9 9 PRO HB2 H 1 2.264 0.009 . . . . . . A 9 PRO HB2 . 30667 1
87 . 1 . 1 9 9 PRO HB3 H 1 1.856 0.005 . . . . . . A 9 PRO HB3 . 30667 1
88 . 1 . 1 9 9 PRO HG2 H 1 2.128 0.000 . . . . . . A 9 PRO HG2 . 30667 1
89 . 1 . 1 9 9 PRO HG3 H 1 2.111 0.007 . . . . . . A 9 PRO HG3 . 30667 1
90 . 1 . 1 9 9 PRO HD2 H 1 3.874 0.005 . . . . . . A 9 PRO HD2 . 30667 1
91 . 1 . 1 9 9 PRO HD3 H 1 3.658 0.004 . . . . . . A 9 PRO HD3 . 30667 1
92 . 1 . 1 9 9 PRO CA C 13 60.833 0.000 . . . . . . A 9 PRO CA . 30667 1
93 . 1 . 1 9 9 PRO CB C 13 29.650 0.007 . . . . . . A 9 PRO CB . 30667 1
94 . 1 . 1 9 9 PRO CG C 13 24.974 0.000 . . . . . . A 9 PRO CG . 30667 1
95 . 1 . 1 9 9 PRO CD C 13 47.906 0.002 . . . . . . A 9 PRO CD . 30667 1
96 . 1 . 1 10 10 ILE H H 1 7.719 0.005 . . . . . . A 10 ILE H . 30667 1
97 . 1 . 1 10 10 ILE HA H 1 4.206 0.004 . . . . . . A 10 ILE HA . 30667 1
98 . 1 . 1 10 10 ILE HB H 1 1.670 0.010 . . . . . . A 10 ILE HB . 30667 1
99 . 1 . 1 10 10 ILE HG12 H 1 1.468 0.007 . . . . . . A 10 ILE HG12 . 30667 1
100 . 1 . 1 10 10 ILE HG13 H 1 0.997 0.007 . . . . . . A 10 ILE HG13 . 30667 1
101 . 1 . 1 10 10 ILE HG21 H 1 0.640 0.009 . . . . . . A 10 ILE HG21 . 30667 1
102 . 1 . 1 10 10 ILE HG22 H 1 0.640 0.009 . . . . . . A 10 ILE HG22 . 30667 1
103 . 1 . 1 10 10 ILE HG23 H 1 0.640 0.009 . . . . . . A 10 ILE HG23 . 30667 1
104 . 1 . 1 10 10 ILE HD11 H 1 0.827 0.005 . . . . . . A 10 ILE HD11 . 30667 1
105 . 1 . 1 10 10 ILE HD12 H 1 0.827 0.005 . . . . . . A 10 ILE HD12 . 30667 1
106 . 1 . 1 10 10 ILE HD13 H 1 0.827 0.005 . . . . . . A 10 ILE HD13 . 30667 1
107 . 1 . 1 10 10 ILE CA C 13 57.451 0.000 . . . . . . A 10 ILE CA . 30667 1
108 . 1 . 1 10 10 ILE CB C 13 37.482 0.000 . . . . . . A 10 ILE CB . 30667 1
109 . 1 . 1 10 10 ILE CG1 C 13 24.350 0.012 . . . . . . A 10 ILE CG1 . 30667 1
110 . 1 . 1 10 10 ILE CG2 C 13 14.362 0.000 . . . . . . A 10 ILE CG2 . 30667 1
111 . 1 . 1 10 10 ILE CD1 C 13 10.198 0.000 . . . . . . A 10 ILE CD1 . 30667 1
112 . 1 . 1 10 10 ILE N N 15 122.897 0.000 . . . . . . A 10 ILE N . 30667 1
113 . 1 . 1 11 11 CYS H H 1 8.447 0.003 . . . . . . A 11 CYS H . 30667 1
114 . 1 . 1 11 11 CYS HA H 1 5.249 0.010 . . . . . . A 11 CYS HA . 30667 1
115 . 1 . 1 11 11 CYS HB2 H 1 2.886 0.013 . . . . . . A 11 CYS HB2 . 30667 1
116 . 1 . 1 11 11 CYS HB3 H 1 2.598 0.002 . . . . . . A 11 CYS HB3 . 30667 1
117 . 1 . 1 11 11 CYS CA C 13 52.633 0.000 . . . . . . A 11 CYS CA . 30667 1
118 . 1 . 1 11 11 CYS CB C 13 44.572 0.000 . . . . . . A 11 CYS CB . 30667 1
119 . 1 . 1 11 11 CYS N N 15 123.363 0.000 . . . . . . A 11 CYS N . 30667 1
120 . 1 . 1 12 12 PHE H H 1 8.764 0.004 . . . . . . A 12 PHE H . 30667 1
121 . 1 . 1 12 12 PHE HA H 1 4.929 0.006 . . . . . . A 12 PHE HA . 30667 1
122 . 1 . 1 12 12 PHE HB2 H 1 3.379 0.010 . . . . . . A 12 PHE HB2 . 30667 1
123 . 1 . 1 12 12 PHE HB3 H 1 3.112 0.010 . . . . . . A 12 PHE HB3 . 30667 1
124 . 1 . 1 12 12 PHE HD1 H 1 7.315 0.003 . . . . . . A 12 PHE HD1 . 30667 1
125 . 1 . 1 12 12 PHE HD2 H 1 7.315 0.003 . . . . . . A 12 PHE HD2 . 30667 1
126 . 1 . 1 12 12 PHE CA C 13 53.829 0.000 . . . . . . A 12 PHE CA . 30667 1
127 . 1 . 1 12 12 PHE CB C 13 36.336 0.003 . . . . . . A 12 PHE CB . 30667 1
128 . 1 . 1 12 12 PHE N N 15 122.068 0.000 . . . . . . A 12 PHE N . 30667 1
129 . 1 . 1 13 13 PRO HA H 1 4.438 0.008 . . . . . . A 13 PRO HA . 30667 1
130 . 1 . 1 13 13 PRO HB2 H 1 2.468 0.012 . . . . . . A 13 PRO HB2 . 30667 1
131 . 1 . 1 13 13 PRO HB3 H 1 2.018 0.008 . . . . . . A 13 PRO HB3 . 30667 1
132 . 1 . 1 13 13 PRO HG2 H 1 2.209 0.006 . . . . . . A 13 PRO HG2 . 30667 1
133 . 1 . 1 13 13 PRO HG3 H 1 2.112 0.004 . . . . . . A 13 PRO HG3 . 30667 1
134 . 1 . 1 13 13 PRO HD2 H 1 4.075 0.007 . . . . . . A 13 PRO HD2 . 30667 1
135 . 1 . 1 13 13 PRO HD3 H 1 4.036 0.004 . . . . . . A 13 PRO HD3 . 30667 1
136 . 1 . 1 13 13 PRO CA C 13 62.419 0.000 . . . . . . A 13 PRO CA . 30667 1
137 . 1 . 1 13 13 PRO CB C 13 29.054 0.003 . . . . . . A 13 PRO CB . 30667 1
138 . 1 . 1 13 13 PRO CG C 13 25.065 0.026 . . . . . . A 13 PRO CG . 30667 1
139 . 1 . 1 13 13 PRO CD C 13 48.522 0.003 . . . . . . A 13 PRO CD . 30667 1
140 . 1 . 1 14 14 ASN H H 1 7.799 0.001 . . . . . . A 14 ASN H . 30667 1
141 . 1 . 1 14 14 ASN HA H 1 4.586 0.006 . . . . . . A 14 ASN HA . 30667 1
142 . 1 . 1 14 14 ASN HB2 H 1 3.228 0.014 . . . . . . A 14 ASN HB2 . 30667 1
143 . 1 . 1 14 14 ASN HB3 H 1 2.903 0.014 . . . . . . A 14 ASN HB3 . 30667 1
144 . 1 . 1 14 14 ASN HD21 H 1 7.425 0.001 . . . . . . A 14 ASN HD21 . 30667 1
145 . 1 . 1 14 14 ASN HD22 H 1 6.614 0.001 . . . . . . A 14 ASN HD22 . 30667 1
146 . 1 . 1 14 14 ASN CA C 13 50.270 0.000 . . . . . . A 14 ASN CA . 30667 1
147 . 1 . 1 14 14 ASN CB C 13 34.366 0.007 . . . . . . A 14 ASN CB . 30667 1
148 . 1 . 1 14 14 ASN N N 15 113.611 0.000 . . . . . . A 14 ASN N . 30667 1
149 . 1 . 1 14 14 ASN ND2 N 15 108.777 0.000 . . . . . . A 14 ASN ND2 . 30667 1
stop_
save_