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 30670
_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' . . . 30670 1
2 '2D 1H-1H NOESY' . . . 30670 1
3 '2D 1H-15N HSQC' . . . 30670 1
4 '2D 1H-13C HSQC' . . . 30670 1
5 '2D 1H-1H E.COSY' . . . 30670 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 8.404 0.002 . . . . . . A 1 GLY H1 . 30670 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.311 0.008 . . . . . . A 1 GLY HA2 . 30670 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.809 0.003 . . . . . . A 1 GLY HA3 . 30670 1
4 . 1 . 1 1 1 GLY CA C 13 42.234 0.010 . . . . . . A 1 GLY CA . 30670 1
5 . 1 . 1 1 1 GLY N N 15 108.474 0.000 . . . . . . A 1 GLY N . 30670 1
6 . 1 . 1 2 2 LYS H H 1 7.937 0.001 . . . . . . A 2 LYS H . 30670 1
7 . 1 . 1 2 2 LYS HA H 1 4.390 0.005 . . . . . . A 2 LYS HA . 30670 1
8 . 1 . 1 2 2 LYS HB2 H 1 1.911 0.007 . . . . . . A 2 LYS HB2 . 30670 1
9 . 1 . 1 2 2 LYS HB3 H 1 1.909 0.006 . . . . . . A 2 LYS HB3 . 30670 1
10 . 1 . 1 2 2 LYS HG2 H 1 1.327 0.008 . . . . . . A 2 LYS HG2 . 30670 1
11 . 1 . 1 2 2 LYS HG3 H 1 1.414 0.007 . . . . . . A 2 LYS HG3 . 30670 1
12 . 1 . 1 2 2 LYS HD2 H 1 1.639 0.007 . . . . . . A 2 LYS HD2 . 30670 1
13 . 1 . 1 2 2 LYS HD3 H 1 1.638 0.007 . . . . . . A 2 LYS HD3 . 30670 1
14 . 1 . 1 2 2 LYS HE2 H 1 2.904 0.005 . . . . . . A 2 LYS HE2 . 30670 1
15 . 1 . 1 2 2 LYS HE3 H 1 2.903 0.005 . . . . . . A 2 LYS HE3 . 30670 1
16 . 1 . 1 2 2 LYS HZ1 H 1 7.514 0.005 . . . . . . A 2 LYS HZ1 . 30670 1
17 . 1 . 1 2 2 LYS HZ2 H 1 7.514 0.005 . . . . . . A 2 LYS HZ2 . 30670 1
18 . 1 . 1 2 2 LYS HZ3 H 1 7.514 0.005 . . . . . . A 2 LYS HZ3 . 30670 1
19 . 1 . 1 2 2 LYS CA C 13 53.856 0.000 . . . . . . A 2 LYS CA . 30670 1
20 . 1 . 1 2 2 LYS CB C 13 30.062 0.000 . . . . . . A 2 LYS CB . 30670 1
21 . 1 . 1 2 2 LYS CG C 13 22.429 0.008 . . . . . . A 2 LYS CG . 30670 1
22 . 1 . 1 2 2 LYS CD C 13 26.165 0.000 . . . . . . A 2 LYS CD . 30670 1
23 . 1 . 1 2 2 LYS CE C 13 39.270 0.000 . . . . . . A 2 LYS CE . 30670 1
24 . 1 . 1 2 2 LYS N N 15 121.829 0.000 . . . . . . A 2 LYS N . 30670 1
25 . 1 . 1 2 2 LYS NZ N 15 112.580 0.000 . . . . . . A 2 LYS NZ . 30670 1
26 . 1 . 1 3 3 ALA H H 1 8.615 0.003 . . . . . . A 3 ALA H . 30670 1
27 . 1 . 1 3 3 ALA HA H 1 5.264 0.006 . . . . . . A 3 ALA HA . 30670 1
28 . 1 . 1 3 3 ALA HB1 H 1 1.846 0.006 . . . . . . A 3 ALA HB1 . 30670 1
29 . 1 . 1 3 3 ALA HB2 H 1 2.416 0.004 . . . . . . A 3 ALA HB2 . 30670 1
30 . 1 . 1 3 3 ALA HB3 H 1 2.416 0.004 . . . . . . A 3 ALA HB2 . 30670 1
31 . 1 . 1 3 3 ALA CA C 13 51.448 0.000 . . . . . . A 3 ALA CA . 30670 1
32 . 1 . 1 3 3 ALA CB C 13 35.501 0.001 . . . . . . A 3 ALA CB . 30670 1
33 . 1 . 1 3 3 ALA N N 15 121.884 0.000 . . . . . . A 3 ALA N . 30670 1
34 . 1 . 1 4 4 LEU H H 1 8.599 0.005 . . . . . . A 4 LEU H . 30670 1
35 . 1 . 1 4 4 LEU HA H 1 4.405 0.007 . . . . . . A 4 LEU HA . 30670 1
36 . 1 . 1 4 4 LEU HB2 H 1 1.419 0.005 . . . . . . A 4 LEU HB2 . 30670 1
37 . 1 . 1 4 4 LEU HB3 H 1 1.497 0.008 . . . . . . A 4 LEU HB3 . 30670 1
38 . 1 . 1 4 4 LEU HG H 1 1.492 0.004 . . . . . . A 4 LEU HG . 30670 1
39 . 1 . 1 4 4 LEU HD11 H 1 0.900 0.013 . . . . . . A 4 LEU HD11 . 30670 1
40 . 1 . 1 4 4 LEU HD12 H 1 0.900 0.013 . . . . . . A 4 LEU HD12 . 30670 1
41 . 1 . 1 4 4 LEU HD13 H 1 0.900 0.013 . . . . . . A 4 LEU HD13 . 30670 1
42 . 1 . 1 4 4 LEU HD21 H 1 0.878 0.016 . . . . . . A 4 LEU HD21 . 30670 1
43 . 1 . 1 4 4 LEU HD22 H 1 0.878 0.016 . . . . . . A 4 LEU HD22 . 30670 1
44 . 1 . 1 4 4 LEU HD23 H 1 0.878 0.016 . . . . . . A 4 LEU HD23 . 30670 1
45 . 1 . 1 4 4 LEU CA C 13 50.691 0.000 . . . . . . A 4 LEU CA . 30670 1
46 . 1 . 1 4 4 LEU CB C 13 41.053 0.006 . . . . . . A 4 LEU CB . 30670 1
47 . 1 . 1 4 4 LEU CG C 13 24.409 0.000 . . . . . . A 4 LEU CG . 30670 1
48 . 1 . 1 4 4 LEU CD1 C 13 22.267 0.000 . . . . . . A 4 LEU CD1 . 30670 1
49 . 1 . 1 4 4 LEU CD2 C 13 20.681 0.000 . . . . . . A 4 LEU CD2 . 30670 1
50 . 1 . 1 4 4 LEU N N 15 121.884 0.000 . . . . . . A 4 LEU N . 30670 1
51 . 1 . 1 5 5 PHE H H 1 8.579 0.000 . . . . . . A 5 PHE H . 30670 1
52 . 1 . 1 5 5 PHE HA H 1 4.594 0.006 . . . . . . A 5 PHE HA . 30670 1
53 . 1 . 1 5 5 PHE HB2 H 1 2.971 0.004 . . . . . . A 5 PHE HB2 . 30670 1
54 . 1 . 1 5 5 PHE HB3 H 1 3.264 0.012 . . . . . . A 5 PHE HB3 . 30670 1
55 . 1 . 1 5 5 PHE HD1 H 1 7.324 0.000 . . . . . . A 5 PHE HD1 . 30670 1
56 . 1 . 1 5 5 PHE HD2 H 1 7.324 0.000 . . . . . . A 5 PHE HD2 . 30670 1
57 . 1 . 1 5 5 PHE CA C 13 55.185 0.000 . . . . . . A 5 PHE CA . 30670 1
58 . 1 . 1 5 5 PHE CB C 13 34.185 0.002 . . . . . . A 5 PHE CB . 30670 1
59 . 1 . 1 5 5 PHE N N 15 123.156 0.000 . . . . . . A 5 PHE N . 30670 1
60 . 1 . 1 6 6 SER H H 1 7.327 0.002 . . . . . . A 6 SER H . 30670 1
61 . 1 . 1 6 6 SER HA H 1 4.278 0.006 . . . . . . A 6 SER HA . 30670 1
62 . 1 . 1 6 6 SER HB2 H 1 3.632 0.003 . . . . . . A 6 SER HB2 . 30670 1
63 . 1 . 1 6 6 SER HB3 H 1 3.862 0.007 . . . . . . A 6 SER HB3 . 30670 1
64 . 1 . 1 6 6 SER CA C 13 54.605 0.000 . . . . . . A 6 SER CA . 30670 1
65 . 1 . 1 6 6 SER CB C 13 61.717 0.006 . . . . . . A 6 SER CB . 30670 1
66 . 1 . 1 6 6 SER N N 15 114.729 0.000 . . . . . . A 6 SER N . 30670 1
67 . 1 . 1 7 7 ASN H H 1 8.295 0.002 . . . . . . A 7 ASN H . 30670 1
68 . 1 . 1 7 7 ASN HA H 1 5.009 0.006 . . . . . . A 7 ASN HA . 30670 1
69 . 1 . 1 7 7 ASN HB2 H 1 2.584 0.006 . . . . . . A 7 ASN HB2 . 30670 1
70 . 1 . 1 7 7 ASN HB3 H 1 2.837 0.007 . . . . . . A 7 ASN HB3 . 30670 1
71 . 1 . 1 7 7 ASN HD21 H 1 7.556 0.000 . . . . . . A 7 ASN HD21 . 30670 1
72 . 1 . 1 7 7 ASN HD22 H 1 6.852 0.001 . . . . . . A 7 ASN HD22 . 30670 1
73 . 1 . 1 7 7 ASN CA C 13 47.206 0.000 . . . . . . A 7 ASN CA . 30670 1
74 . 1 . 1 7 7 ASN CB C 13 37.134 0.006 . . . . . . A 7 ASN CB . 30670 1
75 . 1 . 1 7 7 ASN N N 15 117.002 0.000 . . . . . . A 7 ASN N . 30670 1
76 . 1 . 1 7 7 ASN ND2 N 15 112.153 0.002 . . . . . . A 7 ASN ND2 . 30670 1
77 . 1 . 1 8 8 PRO HA H 1 5.071 0.005 . . . . . . A 8 PRO HA . 30670 1
78 . 1 . 1 8 8 PRO HB2 H 1 2.091 0.008 . . . . . . A 8 PRO HB2 . 30670 1
79 . 1 . 1 8 8 PRO HB3 H 1 2.387 0.006 . . . . . . A 8 PRO HB3 . 30670 1
80 . 1 . 1 8 8 PRO HG2 H 1 1.776 0.006 . . . . . . A 8 PRO HG2 . 30670 1
81 . 1 . 1 8 8 PRO HG3 H 1 1.925 0.006 . . . . . . A 8 PRO HG3 . 30670 1
82 . 1 . 1 8 8 PRO HD2 H 1 3.455 0.003 . . . . . . A 8 PRO HD2 . 30670 1
83 . 1 . 1 8 8 PRO HD3 H 1 3.541 0.004 . . . . . . A 8 PRO HD3 . 30670 1
84 . 1 . 1 8 8 PRO CA C 13 59.860 0.000 . . . . . . A 8 PRO CA . 30670 1
85 . 1 . 1 8 8 PRO CB C 13 30.309 0.016 . . . . . . A 8 PRO CB . 30670 1
86 . 1 . 1 8 8 PRO CG C 13 21.857 0.009 . . . . . . A 8 PRO CG . 30670 1
87 . 1 . 1 8 8 PRO CD C 13 47.554 0.009 . . . . . . A 8 PRO CD . 30670 1
88 . 1 . 1 9 9 PRO HA H 1 4.264 0.008 . . . . . . A 9 PRO HA . 30670 1
89 . 1 . 1 9 9 PRO HB2 H 1 1.665 0.006 . . . . . . A 9 PRO HB2 . 30670 1
90 . 1 . 1 9 9 PRO HB3 H 1 2.113 0.008 . . . . . . A 9 PRO HB3 . 30670 1
91 . 1 . 1 9 9 PRO HG2 H 1 2.110 0.007 . . . . . . A 9 PRO HG2 . 30670 1
92 . 1 . 1 9 9 PRO HG3 H 1 2.110 0.006 . . . . . . A 9 PRO HG3 . 30670 1
93 . 1 . 1 9 9 PRO HD2 H 1 3.829 0.005 . . . . . . A 9 PRO HD2 . 30670 1
94 . 1 . 1 9 9 PRO HD3 H 1 3.646 0.004 . . . . . . A 9 PRO HD3 . 30670 1
95 . 1 . 1 9 9 PRO CA C 13 60.761 0.000 . . . . . . A 9 PRO CA . 30670 1
96 . 1 . 1 9 9 PRO CB C 13 29.633 0.073 . . . . . . A 9 PRO CB . 30670 1
97 . 1 . 1 9 9 PRO CG C 13 24.972 0.000 . . . . . . A 9 PRO CG . 30670 1
98 . 1 . 1 9 9 PRO CD C 13 47.919 0.017 . . . . . . A 9 PRO CD . 30670 1
99 . 1 . 1 10 10 ILE H H 1 7.348 0.003 . . . . . . A 10 ILE H . 30670 1
100 . 1 . 1 10 10 ILE HA H 1 4.116 0.004 . . . . . . A 10 ILE HA . 30670 1
101 . 1 . 1 10 10 ILE HB H 1 1.411 0.012 . . . . . . A 10 ILE HB . 30670 1
102 . 1 . 1 10 10 ILE HG12 H 1 0.848 0.008 . . . . . . A 10 ILE HG12 . 30670 1
103 . 1 . 1 10 10 ILE HG13 H 1 1.258 0.006 . . . . . . A 10 ILE HG13 . 30670 1
104 . 1 . 1 10 10 ILE HG21 H 1 0.495 0.004 . . . . . . A 10 ILE HG21 . 30670 1
105 . 1 . 1 10 10 ILE HG22 H 1 0.495 0.004 . . . . . . A 10 ILE HG22 . 30670 1
106 . 1 . 1 10 10 ILE HG23 H 1 0.495 0.004 . . . . . . A 10 ILE HG23 . 30670 1
107 . 1 . 1 10 10 ILE HD11 H 1 0.739 0.004 . . . . . . A 10 ILE HD11 . 30670 1
108 . 1 . 1 10 10 ILE HD12 H 1 0.739 0.004 . . . . . . A 10 ILE HD12 . 30670 1
109 . 1 . 1 10 10 ILE HD13 H 1 0.739 0.004 . . . . . . A 10 ILE HD13 . 30670 1
110 . 1 . 1 10 10 ILE CA C 13 56.503 0.000 . . . . . . A 10 ILE CA . 30670 1
111 . 1 . 1 10 10 ILE CB C 13 38.358 0.000 . . . . . . A 10 ILE CB . 30670 1
112 . 1 . 1 10 10 ILE CG1 C 13 24.320 0.018 . . . . . . A 10 ILE CG1 . 30670 1
113 . 1 . 1 10 10 ILE CG2 C 13 14.465 0.000 . . . . . . A 10 ILE CG2 . 30670 1
114 . 1 . 1 10 10 ILE CD1 C 13 10.356 0.000 . . . . . . A 10 ILE CD1 . 30670 1
115 . 1 . 1 10 10 ILE N N 15 119.801 0.000 . . . . . . A 10 ILE N . 30670 1
116 . 1 . 1 11 11 ALA H H 1 8.497 0.001 . . . . . . A 11 ALA H . 30670 1
117 . 1 . 1 11 11 ALA HA H 1 5.187 0.011 . . . . . . A 11 ALA HA . 30670 1
118 . 1 . 1 11 11 ALA HB1 H 1 2.949 0.005 . . . . . . A 11 ALA HB1 . 30670 1
119 . 1 . 1 11 11 ALA HB2 H 1 3.097 0.004 . . . . . . A 11 ALA HB2 . 30670 1
120 . 1 . 1 11 11 ALA HB3 H 1 3.097 0.004 . . . . . . A 11 ALA HB2 . 30670 1
121 . 1 . 1 11 11 ALA CA C 13 50.478 0.000 . . . . . . A 11 ALA CA . 30670 1
122 . 1 . 1 11 11 ALA CB C 13 25.637 0.018 . . . . . . A 11 ALA CB . 30670 1
123 . 1 . 1 11 11 ALA N N 15 121.064 0.000 . . . . . . A 11 ALA N . 30670 1
124 . 1 . 1 12 12 PHE H H 1 8.848 0.002 . . . . . . A 12 PHE H . 30670 1
125 . 1 . 1 12 12 PHE HA H 1 4.939 0.008 . . . . . . A 12 PHE HA . 30670 1
126 . 1 . 1 12 12 PHE HB2 H 1 2.993 0.007 . . . . . . A 12 PHE HB2 . 30670 1
127 . 1 . 1 12 12 PHE HB3 H 1 3.362 0.008 . . . . . . A 12 PHE HB3 . 30670 1
128 . 1 . 1 12 12 PHE HD1 H 1 7.230 0.001 . . . . . . A 12 PHE HD1 . 30670 1
129 . 1 . 1 12 12 PHE HD2 H 1 7.230 0.001 . . . . . . A 12 PHE HD2 . 30670 1
130 . 1 . 1 12 12 PHE CA C 13 53.741 0.000 . . . . . . A 12 PHE CA . 30670 1
131 . 1 . 1 12 12 PHE CB C 13 36.423 0.007 . . . . . . A 12 PHE CB . 30670 1
132 . 1 . 1 12 12 PHE N N 15 122.059 0.000 . . . . . . A 12 PHE N . 30670 1
133 . 1 . 1 13 13 PRO HA H 1 4.413 0.005 . . . . . . A 13 PRO HA . 30670 1
134 . 1 . 1 13 13 PRO HB2 H 1 1.994 0.005 . . . . . . A 13 PRO HB2 . 30670 1
135 . 1 . 1 13 13 PRO HB3 H 1 2.431 0.004 . . . . . . A 13 PRO HB3 . 30670 1
136 . 1 . 1 13 13 PRO HG2 H 1 2.096 0.006 . . . . . . A 13 PRO HG2 . 30670 1
137 . 1 . 1 13 13 PRO HG3 H 1 2.185 0.005 . . . . . . A 13 PRO HG3 . 30670 1
138 . 1 . 1 13 13 PRO HD2 H 1 4.057 0.011 . . . . . . A 13 PRO HD2 . 30670 1
139 . 1 . 1 13 13 PRO HD3 H 1 4.013 0.014 . . . . . . A 13 PRO HD3 . 30670 1
140 . 1 . 1 13 13 PRO CA C 13 62.455 0.000 . . . . . . A 13 PRO CA . 30670 1
141 . 1 . 1 13 13 PRO CB C 13 29.031 0.003 . . . . . . A 13 PRO CB . 30670 1
142 . 1 . 1 13 13 PRO CG C 13 24.991 0.020 . . . . . . A 13 PRO CG . 30670 1
143 . 1 . 1 13 13 PRO CD C 13 48.433 0.004 . . . . . . A 13 PRO CD . 30670 1
144 . 1 . 1 14 14 ASN H H 1 7.850 0.001 . . . . . . A 14 ASN H . 30670 1
145 . 1 . 1 14 14 ASN HA H 1 4.572 0.007 . . . . . . A 14 ASN HA . 30670 1
146 . 1 . 1 14 14 ASN HB2 H 1 2.867 0.003 . . . . . . A 14 ASN HB2 . 30670 1
147 . 1 . 1 14 14 ASN HB3 H 1 3.181 0.009 . . . . . . A 14 ASN HB3 . 30670 1
148 . 1 . 1 14 14 ASN HD21 H 1 7.440 0.000 . . . . . . A 14 ASN HD21 . 30670 1
149 . 1 . 1 14 14 ASN HD22 H 1 6.588 0.001 . . . . . . A 14 ASN HD22 . 30670 1
150 . 1 . 1 14 14 ASN CA C 13 50.255 0.000 . . . . . . A 14 ASN CA . 30670 1
151 . 1 . 1 14 14 ASN CB C 13 34.468 0.014 . . . . . . A 14 ASN CB . 30670 1
152 . 1 . 1 14 14 ASN N N 15 113.683 0.000 . . . . . . A 14 ASN N . 30670 1
153 . 1 . 1 14 14 ASN ND2 N 15 109.273 0.003 . . . . . . A 14 ASN ND2 . 30670 1
154 . 2 . 2 1 1 WMH C C 13 44.063 0.002 . . . . . . A 101 WMH C . 30670 1
155 . 2 . 2 1 1 WMH H2 H 1 4.480 0.004 . . . . . . A 101 WMH H2 . 30670 1
156 . 2 . 2 1 1 WMH H1 H 1 4.178 0.004 . . . . . . A 101 WMH H1 . 30670 1
157 . 2 . 2 1 1 WMH H5 H 1 7.400 0.000 . . . . . . A 101 WMH H5 . 30670 1
stop_
save_