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 30427
_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 $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 COSY' . . . 30427 1
2 '2D 1H-1H TOCSY' . . . 30427 1
3 '2D 1H-1H NOESY' . . . 30427 1
4 '2D 1H-15N HSQC' . . . 30427 1
5 '2D 1H-13C HSQC' . . . 30427 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.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 2 2 MET HA H 1 4.423 0.00 . . . . . . A 2 MET HA . 30427 1
2 . 1 1 2 2 MET HB2 H 1 2.026 0.01 . . . . . . A 2 MET HB2 . 30427 1
3 . 1 1 2 2 MET HB3 H 1 2.046 0.00 . . . . . . A 2 MET HB3 . 30427 1
4 . 1 1 2 2 MET HG2 H 1 2.549 0.00 . . . . . . A 2 MET HG2 . 30427 1
5 . 1 1 2 2 MET CA C 13 53.441 0.00 . . . . . . A 2 MET CA . 30427 1
6 . 1 1 2 2 MET CB C 13 30.888 0.00 . . . . . . A 2 MET CB . 30427 1
7 . 1 1 3 3 ARG H H 1 8.730 0.00 . . . . . . A 3 ARG H . 30427 1
8 . 1 1 3 3 ARG HA H 1 4.357 0.00 . . . . . . A 3 ARG HA . 30427 1
9 . 1 1 3 3 ARG HB2 H 1 1.819 0.00 . . . . . . A 3 ARG HB2 . 30427 1
10 . 1 1 3 3 ARG HB3 H 1 1.886 0.00 . . . . . . A 3 ARG HB3 . 30427 1
11 . 1 1 3 3 ARG HG2 H 1 1.609 0.00 . . . . . . A 3 ARG HG2 . 30427 1
12 . 1 1 3 3 ARG HG3 H 1 1.693 0.00 . . . . . . A 3 ARG HG3 . 30427 1
13 . 1 1 3 3 ARG HD2 H 1 3.187 0.01 . . . . . . A 3 ARG HD2 . 30427 1
14 . 1 1 3 3 ARG CA C 13 54.037 0.00 . . . . . . A 3 ARG CA . 30427 1
15 . 1 1 3 3 ARG CB C 13 27.685 0.00 . . . . . . A 3 ARG CB . 30427 1
16 . 1 1 3 3 ARG N N 15 123.446 0.00 . . . . . . A 3 ARG N . 30427 1
17 . 1 1 4 4 LEU H H 1 8.702 0.00 . . . . . . A 4 LEU H . 30427 1
18 . 1 1 4 4 LEU HA H 1 4.131 0.00 . . . . . . A 4 LEU HA . 30427 1
19 . 1 1 4 4 LEU HB2 H 1 1.593 0.00 . . . . . . A 4 LEU HB2 . 30427 1
20 . 1 1 4 4 LEU HB3 H 1 1.783 0.00 . . . . . . A 4 LEU HB3 . 30427 1
21 . 1 1 4 4 LEU HG H 1 1.707 0.00 . . . . . . A 4 LEU HG . 30427 1
22 . 1 1 4 4 LEU HD11 H 1 0.920 0.00 . . . . . . A 4 LEU HD11 . 30427 1
23 . 1 1 4 4 LEU HD12 H 1 0.920 0.00 . . . . . . A 4 LEU HD12 . 30427 1
24 . 1 1 4 4 LEU HD13 H 1 0.920 0.00 . . . . . . A 4 LEU HD13 . 30427 1
25 . 1 1 4 4 LEU HD21 H 1 0.827 0.00 . . . . . . A 4 LEU HD21 . 30427 1
26 . 1 1 4 4 LEU HD22 H 1 0.827 0.00 . . . . . . A 4 LEU HD22 . 30427 1
27 . 1 1 4 4 LEU HD23 H 1 0.827 0.00 . . . . . . A 4 LEU HD23 . 30427 1
28 . 1 1 4 4 LEU CA C 13 55.034 0.00 . . . . . . A 4 LEU CA . 30427 1
29 . 1 1 4 4 LEU CB C 13 39.395 0.00 . . . . . . A 4 LEU CB . 30427 1
30 . 1 1 4 4 LEU N N 15 122.287 0.00 . . . . . . A 4 LEU N . 30427 1
31 . 1 1 5 5 SER H H 1 8.568 0.00 . . . . . . A 5 SER H . 30427 1
32 . 1 1 5 5 SER HA H 1 4.066 0.00 . . . . . . A 5 SER HA . 30427 1
33 . 1 1 5 5 SER HB2 H 1 3.922 0.00 . . . . . . A 5 SER HB2 . 30427 1
34 . 1 1 5 5 SER HB3 H 1 3.952 0.00 . . . . . . A 5 SER HB3 . 30427 1
35 . 1 1 5 5 SER CA C 13 59.210 0.00 . . . . . . A 5 SER CA . 30427 1
36 . 1 1 5 5 SER CB C 13 59.819 0.00 . . . . . . A 5 SER CB . 30427 1
37 . 1 1 5 5 SER N N 15 114.154 0.00 . . . . . . A 5 SER N . 30427 1
38 . 1 1 6 6 LYS H H 1 7.596 0.00 . . . . . . A 6 LYS H . 30427 1
39 . 1 1 6 6 LYS HA H 1 3.982 0.00 . . . . . . A 6 LYS HA . 30427 1
40 . 1 1 6 6 LYS HB2 H 1 1.804 0.00 . . . . . . A 6 LYS HB2 . 30427 1
41 . 1 1 6 6 LYS HB3 H 1 1.844 0.00 . . . . . . A 6 LYS HB3 . 30427 1
42 . 1 1 6 6 LYS HG2 H 1 1.366 0.01 . . . . . . A 6 LYS HG2 . 30427 1
43 . 1 1 6 6 LYS HD2 H 1 1.653 0.00 . . . . . . A 6 LYS HD2 . 30427 1
44 . 1 1 6 6 LYS HD3 H 1 1.586 0.00 . . . . . . A 6 LYS HD3 . 30427 1
45 . 1 1 6 6 LYS CA C 13 56.643 0.00 . . . . . . A 6 LYS CA . 30427 1
46 . 1 1 6 6 LYS CB C 13 29.847 0.00 . . . . . . A 6 LYS CB . 30427 1
47 . 1 1 6 6 LYS N N 15 122.448 0.00 . . . . . . A 6 LYS N . 30427 1
48 . 1 1 7 7 PHE H H 1 7.876 0.00 . . . . . . A 7 PHE H . 30427 1
49 . 1 1 7 7 PHE HA H 1 4.311 0.00 . . . . . . A 7 PHE HA . 30427 1
50 . 1 1 7 7 PHE HB2 H 1 3.032 0.00 . . . . . . A 7 PHE HB2 . 30427 1
51 . 1 1 7 7 PHE HB3 H 1 3.171 0.00 . . . . . . A 7 PHE HB3 . 30427 1
52 . 1 1 7 7 PHE HD2 H 1 6.953 0.00 . . . . . . A 7 PHE HD2 . 30427 1
53 . 1 1 7 7 PHE HZ H 1 7.009 0.00 . . . . . . A 7 PHE HZ . 30427 1
54 . 1 1 7 7 PHE CA C 13 58.436 0.00 . . . . . . A 7 PHE CA . 30427 1
55 . 1 1 7 7 PHE CB C 13 40.901 0.00 . . . . . . A 7 PHE CB . 30427 1
56 . 1 1 7 7 PHE N N 15 118.411 0.00 . . . . . . A 7 PHE N . 30427 1
57 . 1 1 8 8 PHE H H 1 8.238 0.00 . . . . . . A 8 PHE H . 30427 1
58 . 1 1 8 8 PHE HA H 1 4.124 0.00 . . . . . . A 8 PHE HA . 30427 1
59 . 1 1 8 8 PHE HB2 H 1 3.119 0.00 . . . . . . A 8 PHE HB2 . 30427 1
60 . 1 1 8 8 PHE HD2 H 1 7.092 0.00 . . . . . . A 8 PHE HD2 . 30427 1
61 . 1 1 8 8 PHE HE2 H 1 7.198 0.00 . . . . . . A 8 PHE HE2 . 30427 1
62 . 1 1 8 8 PHE HZ H 1 7.165 0.00 . . . . . . A 8 PHE HZ . 30427 1
63 . 1 1 8 8 PHE CA C 13 58.725 0.00 . . . . . . A 8 PHE CA . 30427 1
64 . 1 1 8 8 PHE CB C 13 36.887 0.00 . . . . . . A 8 PHE CB . 30427 1
65 . 1 1 8 8 PHE N N 15 117.130 0.00 . . . . . . A 8 PHE N . 30427 1
66 . 1 1 9 9 ARG H H 1 8.234 0.00 . . . . . . A 9 ARG H . 30427 1
67 . 1 1 9 9 ARG HA H 1 3.799 0.00 . . . . . . A 9 ARG HA . 30427 1
68 . 1 1 9 9 ARG HB2 H 1 1.760 0.00 . . . . . . A 9 ARG HB2 . 30427 1
69 . 1 1 9 9 ARG HB3 H 1 1.928 0.00 . . . . . . A 9 ARG HB3 . 30427 1
70 . 1 1 9 9 ARG HG2 H 1 1.572 0.00 . . . . . . A 9 ARG HG2 . 30427 1
71 . 1 1 9 9 ARG HD2 H 1 3.176 0.01 . . . . . . A 9 ARG HD2 . 30427 1
72 . 1 1 9 9 ARG HE H 1 7.401 0.00 . . . . . . A 9 ARG HE . 30427 1
73 . 1 1 9 9 ARG CA C 13 57.443 0.00 . . . . . . A 9 ARG CA . 30427 1
74 . 1 1 9 9 ARG CB C 13 27.507 0.00 . . . . . . A 9 ARG CB . 30427 1
75 . 1 1 9 9 ARG N N 15 119.108 0.00 . . . . . . A 9 ARG N . 30427 1
76 . 1 1 10 10 ASP H H 1 8.425 0.00 . . . . . . A 10 ASP H . 30427 1
77 . 1 1 10 10 ASP HA H 1 4.268 0.00 . . . . . . A 10 ASP HA . 30427 1
78 . 1 1 10 10 ASP HB2 H 1 2.321 0.00 . . . . . . A 10 ASP HB2 . 30427 1
79 . 1 1 10 10 ASP HB3 H 1 2.609 0.00 . . . . . . A 10 ASP HB3 . 30427 1
80 . 1 1 10 10 ASP CA C 13 54.294 0.00 . . . . . . A 10 ASP CA . 30427 1
81 . 1 1 10 10 ASP CB C 13 37.423 0.00 . . . . . . A 10 ASP CB . 30427 1
82 . 1 1 10 10 ASP N N 15 117.691 0.00 . . . . . . A 10 ASP N . 30427 1
83 . 1 1 11 11 PHE H H 1 7.907 0.00 . . . . . . A 11 PHE H . 30427 1
84 . 1 1 11 11 PHE HA H 1 4.178 0.00 . . . . . . A 11 PHE HA . 30427 1
85 . 1 1 11 11 PHE HB2 H 1 2.711 0.00 . . . . . . A 11 PHE HB2 . 30427 1
86 . 1 1 11 11 PHE HB3 H 1 2.889 0.00 . . . . . . A 11 PHE HB3 . 30427 1
87 . 1 1 11 11 PHE HE2 H 1 7.048 0.00 . . . . . . A 11 PHE HE2 . 30427 1
88 . 1 1 11 11 PHE CA C 13 57.760 0.00 . . . . . . A 11 PHE CA . 30427 1
89 . 1 1 11 11 PHE CB C 13 37.057 0.00 . . . . . . A 11 PHE CB . 30427 1
90 . 1 1 11 11 PHE N N 15 118.419 0.00 . . . . . . A 11 PHE N . 30427 1
91 . 1 1 12 12 ILE H H 1 7.665 0.00 . . . . . . A 12 ILE H . 30427 1
92 . 1 1 12 12 ILE HA H 1 3.711 0.00 . . . . . . A 12 ILE HA . 30427 1
93 . 1 1 12 12 ILE HB H 1 1.908 0.00 . . . . . . A 12 ILE HB . 30427 1
94 . 1 1 12 12 ILE HG12 H 1 1.470 0.00 . . . . . . A 12 ILE HG12 . 30427 1
95 . 1 1 12 12 ILE HG13 H 1 1.168 0.00 . . . . . . A 12 ILE HG13 . 30427 1
96 . 1 1 12 12 ILE HG21 H 1 0.780 0.00 . . . . . . A 12 ILE HG21 . 30427 1
97 . 1 1 12 12 ILE HG22 H 1 0.780 0.00 . . . . . . A 12 ILE HG22 . 30427 1
98 . 1 1 12 12 ILE HG23 H 1 0.780 0.00 . . . . . . A 12 ILE HG23 . 30427 1
99 . 1 1 12 12 ILE HD11 H 1 0.740 0.00 . . . . . . A 12 ILE HD11 . 30427 1
100 . 1 1 12 12 ILE HD12 H 1 0.740 0.00 . . . . . . A 12 ILE HD12 . 30427 1
101 . 1 1 12 12 ILE HD13 H 1 0.740 0.00 . . . . . . A 12 ILE HD13 . 30427 1
102 . 1 1 12 12 ILE CA C 13 60.302 0.00 . . . . . . A 12 ILE CA . 30427 1
103 . 1 1 12 12 ILE CB C 13 34.861 0.00 . . . . . . A 12 ILE CB . 30427 1
104 . 1 1 12 12 ILE N N 15 116.665 0.00 . . . . . . A 12 ILE N . 30427 1
105 . 1 1 13 13 LEU H H 1 7.930 0.00 . . . . . . A 13 LEU H . 30427 1
106 . 1 1 13 13 LEU HA H 1 4.052 0.00 . . . . . . A 13 LEU HA . 30427 1
107 . 1 1 13 13 LEU HB2 H 1 1.513 0.00 . . . . . . A 13 LEU HB2 . 30427 1
108 . 1 1 13 13 LEU HB3 H 1 1.768 0.00 . . . . . . A 13 LEU HB3 . 30427 1
109 . 1 1 13 13 LEU HG H 1 1.613 0.00 . . . . . . A 13 LEU HG . 30427 1
110 . 1 1 13 13 LEU HD11 H 1 0.867 0.00 . . . . . . A 13 LEU HD11 . 30427 1
111 . 1 1 13 13 LEU HD12 H 1 0.867 0.00 . . . . . . A 13 LEU HD12 . 30427 1
112 . 1 1 13 13 LEU HD13 H 1 0.867 0.00 . . . . . . A 13 LEU HD13 . 30427 1
113 . 1 1 13 13 LEU HD21 H 1 0.816 0.00 . . . . . . A 13 LEU HD21 . 30427 1
114 . 1 1 13 13 LEU HD22 H 1 0.816 0.00 . . . . . . A 13 LEU HD22 . 30427 1
115 . 1 1 13 13 LEU HD23 H 1 0.816 0.00 . . . . . . A 13 LEU HD23 . 30427 1
116 . 1 1 13 13 LEU CA C 13 53.964 0.00 . . . . . . A 13 LEU CA . 30427 1
117 . 1 1 13 13 LEU CB C 13 39.185 0.00 . . . . . . A 13 LEU CB . 30427 1
118 . 1 1 13 13 LEU N N 15 118.207 0.00 . . . . . . A 13 LEU N . 30427 1
119 . 1 1 14 14 GLN H H 1 7.661 0.00 . . . . . . A 14 GLN H . 30427 1
120 . 1 1 14 14 GLN HA H 1 4.102 0.00 . . . . . . A 14 GLN HA . 30427 1
121 . 1 1 14 14 GLN HB2 H 1 1.935 0.00 . . . . . . A 14 GLN HB2 . 30427 1
122 . 1 1 14 14 GLN HB3 H 1 2.011 0.00 . . . . . . A 14 GLN HB3 . 30427 1
123 . 1 1 14 14 GLN HG2 H 1 2.284 0.00 . . . . . . A 14 GLN HG2 . 30427 1
124 . 1 1 14 14 GLN HG3 H 1 2.246 0.00 . . . . . . A 14 GLN HG3 . 30427 1
125 . 1 1 14 14 GLN HE22 H 1 7.400 0.00 . . . . . . A 14 GLN HE22 . 30427 1
126 . 1 1 14 14 GLN CA C 13 53.644 0.00 . . . . . . A 14 GLN CA . 30427 1
127 . 1 1 14 14 GLN CB C 13 25.865 0.00 . . . . . . A 14 GLN CB . 30427 1
128 . 1 1 14 14 GLN N N 15 116.662 0.00 . . . . . . A 14 GLN N . 30427 1
129 . 1 1 15 15 ARG H H 1 7.642 0.00 . . . . . . A 15 ARG H . 30427 1
130 . 1 1 15 15 ARG HA H 1 4.134 0.00 . . . . . . A 15 ARG HA . 30427 1
131 . 1 1 15 15 ARG HB2 H 1 1.611 0.00 . . . . . . A 15 ARG HB2 . 30427 1
132 . 1 1 15 15 ARG HB3 H 1 1.754 0.00 . . . . . . A 15 ARG HB3 . 30427 1
133 . 1 1 15 15 ARG HG2 H 1 1.488 0.00 . . . . . . A 15 ARG HG2 . 30427 1
134 . 1 1 15 15 ARG HG3 H 1 1.450 0.00 . . . . . . A 15 ARG HG3 . 30427 1
135 . 1 1 15 15 ARG HD2 H 1 2.983 0.00 . . . . . . A 15 ARG HD2 . 30427 1
136 . 1 1 15 15 ARG HD3 H 1 2.959 0.00 . . . . . . A 15 ARG HD3 . 30427 1
137 . 1 1 15 15 ARG HE H 1 7.398 0.00 . . . . . . A 15 ARG HE . 30427 1
138 . 1 1 15 15 ARG CA C 13 53.540 0.00 . . . . . . A 15 ARG CA . 30427 1
139 . 1 1 15 15 ARG CB C 13 27.821 0.00 . . . . . . A 15 ARG CB . 30427 1
140 . 1 1 15 15 ARG N N 15 119.524 0.00 . . . . . . A 15 ARG N . 30427 1
141 . 1 1 16 16 LYS H H 1 8.034 0.00 . . . . . . A 16 LYS H . 30427 1
142 . 1 1 16 16 LYS HA H 1 4.212 0.00 . . . . . . A 16 LYS HA . 30427 1
143 . 1 1 16 16 LYS HB2 H 1 1.669 0.00 . . . . . . A 16 LYS HB2 . 30427 1
144 . 1 1 16 16 LYS HB3 H 1 1.799 0.00 . . . . . . A 16 LYS HB3 . 30427 1
145 . 1 1 16 16 LYS HG2 H 1 1.384 0.00 . . . . . . A 16 LYS HG2 . 30427 1
146 . 1 1 16 16 LYS HD2 H 1 1.605 0.00 . . . . . . A 16 LYS HD2 . 30427 1
147 . 1 1 16 16 LYS HE2 H 1 2.901 0.00 . . . . . . A 16 LYS HE2 . 30427 1
148 . 1 1 16 16 LYS CA C 13 53.667 0.00 . . . . . . A 16 LYS CA . 30427 1
149 . 1 1 16 16 LYS CB C 13 30.286 0.00 . . . . . . A 16 LYS CB . 30427 1
150 . 1 1 16 16 LYS N N 15 121.997 0.00 . . . . . . A 16 LYS N . 30427 1
151 . 1 1 17 17 LYS H H 1 7.791 0.00 . . . . . . A 17 LYS H . 30427 1
152 . 1 1 17 17 LYS HA H 1 4.042 0.00 . . . . . . A 17 LYS HA . 30427 1
153 . 1 1 17 17 LYS HB2 H 1 1.638 0.00 . . . . . . A 17 LYS HB2 . 30427 1
154 . 1 1 17 17 LYS HB3 H 1 1.733 0.00 . . . . . . A 17 LYS HB3 . 30427 1
155 . 1 1 17 17 LYS HG2 H 1 1.327 0.00 . . . . . . A 17 LYS HG2 . 30427 1
156 . 1 1 17 17 LYS HD2 H 1 1.598 0.00 . . . . . . A 17 LYS HD2 . 30427 1
157 . 1 1 17 17 LYS HE2 H 1 2.907 0.00 . . . . . . A 17 LYS HE2 . 30427 1
158 . 1 1 17 17 LYS CA C 13 55.146 0.00 . . . . . . A 17 LYS CA . 30427 1
159 . 1 1 17 17 LYS CB C 13 30.964 0.00 . . . . . . A 17 LYS CB . 30427 1
160 . 1 1 17 17 LYS N N 15 127.809 0.00 . . . . . . A 17 LYS N . 30427 1
stop_
save_