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 30434
_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' . . . 30434 1
2 '2D 1H-1H TOCSY' . . . 30434 1
3 '2D 1H-1H NOESY' . . . 30434 1
4 '2D 1H-15N HSQC' . . . 30434 1
5 '2D 1H-13C HSQC' . . . 30434 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 4.475 0.00 . . . . . . A 2 MET HA . 30434 1
2 . 1 1 2 2 MET HB2 H 1 2.030 0.00 . . . . . . A 2 MET HB2 . 30434 1
3 . 1 1 2 2 MET HG2 H 1 2.565 0.00 . . . . . . A 2 MET HG2 . 30434 1
4 . 1 1 2 2 MET HG3 H 1 2.480 0.00 . . . . . . A 2 MET HG3 . 30434 1
5 . 1 1 2 2 MET CA C 13 53.088 0.00 . . . . . . A 2 MET CA . 30434 1
6 . 1 1 3 3 ARG H H 1 8.628 0.00 . . . . . . A 3 ARG H . 30434 1
7 . 1 1 3 3 ARG HA H 1 4.411 0.00 . . . . . . A 3 ARG HA . 30434 1
8 . 1 1 3 3 ARG HB2 H 1 1.938 0.00 . . . . . . A 3 ARG HB2 . 30434 1
9 . 1 1 3 3 ARG HB3 H 1 1.788 0.00 . . . . . . A 3 ARG HB3 . 30434 1
10 . 1 1 3 3 ARG HG2 H 1 1.658 0.00 . . . . . . A 3 ARG HG2 . 30434 1
11 . 1 1 3 3 ARG HG3 H 1 1.563 0.00 . . . . . . A 3 ARG HG3 . 30434 1
12 . 1 1 3 3 ARG HD2 H 1 3.181 0.00 . . . . . . A 3 ARG HD2 . 30434 1
13 . 1 1 3 3 ARG HE H 1 7.435 0.00 . . . . . . A 3 ARG HE . 30434 1
14 . 1 1 3 3 ARG CA C 13 53.863 0.00 . . . . . . A 3 ARG CA . 30434 1
15 . 1 1 3 3 ARG CB C 13 27.938 0.00 . . . . . . A 3 ARG CB . 30434 1
16 . 1 1 3 3 ARG N N 15 124.309 0.00 . . . . . . A 3 ARG N . 30434 1
17 . 1 1 4 4 ILE H H 1 8.946 0.00 . . . . . . A 4 ILE H . 30434 1
18 . 1 1 4 4 ILE HA H 1 3.784 0.00 . . . . . . A 4 ILE HA . 30434 1
19 . 1 1 4 4 ILE HB H 1 1.943 0.00 . . . . . . A 4 ILE HB . 30434 1
20 . 1 1 4 4 ILE HG12 H 1 1.243 0.00 . . . . . . A 4 ILE HG12 . 30434 1
21 . 1 1 4 4 ILE HG21 H 1 0.880 0.00 . . . . . . A 4 ILE HG21 . 30434 1
22 . 1 1 4 4 ILE HG22 H 1 0.880 0.00 . . . . . . A 4 ILE HG22 . 30434 1
23 . 1 1 4 4 ILE HG23 H 1 0.880 0.00 . . . . . . A 4 ILE HG23 . 30434 1
24 . 1 1 4 4 ILE HD11 H 1 0.826 0.00 . . . . . . A 4 ILE HD11 . 30434 1
25 . 1 1 4 4 ILE HD12 H 1 0.826 0.00 . . . . . . A 4 ILE HD12 . 30434 1
26 . 1 1 4 4 ILE HD13 H 1 0.826 0.00 . . . . . . A 4 ILE HD13 . 30434 1
27 . 1 1 4 4 ILE CA C 13 61.128 0.00 . . . . . . A 4 ILE CA . 30434 1
28 . 1 1 4 4 ILE CB C 13 34.873 0.00 . . . . . . A 4 ILE CB . 30434 1
29 . 1 1 4 4 ILE N N 15 122.418 0.00 . . . . . . A 4 ILE N . 30434 1
30 . 1 1 5 5 SER H H 1 8.467 0.00 . . . . . . A 5 SER H . 30434 1
31 . 1 1 5 5 SER HA H 1 3.865 0.00 . . . . . . A 5 SER HA . 30434 1
32 . 1 1 5 5 SER HB2 H 1 3.814 0.00 . . . . . . A 5 SER HB2 . 30434 1
33 . 1 1 5 5 SER HB3 H 1 3.786 0.00 . . . . . . A 5 SER HB3 . 30434 1
34 . 1 1 5 5 SER CA C 13 59.152 0.00 . . . . . . A 5 SER CA . 30434 1
35 . 1 1 5 5 SER CB C 13 59.594 0.00 . . . . . . A 5 SER CB . 30434 1
36 . 1 1 5 5 SER N N 15 115.260 0.00 . . . . . . A 5 SER N . 30434 1
37 . 1 1 6 6 ARG H H 1 7.185 0.01 . . . . . . A 6 ARG H . 30434 1
38 . 1 1 6 6 ARG HA H 1 3.973 0.00 . . . . . . A 6 ARG HA . 30434 1
39 . 1 1 6 6 ARG HB2 H 1 1.999 0.00 . . . . . . A 6 ARG HB2 . 30434 1
40 . 1 1 6 6 ARG HB3 H 1 1.867 0.00 . . . . . . A 6 ARG HB3 . 30434 1
41 . 1 1 6 6 ARG HG2 H 1 1.693 0.00 . . . . . . A 6 ARG HG2 . 30434 1
42 . 1 1 6 6 ARG HG3 H 1 1.635 0.00 . . . . . . A 6 ARG HG3 . 30434 1
43 . 1 1 6 6 ARG HD2 H 1 3.180 0.00 . . . . . . A 6 ARG HD2 . 30434 1
44 . 1 1 6 6 ARG HE H 1 7.500 0.00 . . . . . . A 6 ARG HE . 30434 1
45 . 1 1 6 6 ARG CA C 13 55.765 0.00 . . . . . . A 6 ARG CA . 30434 1
46 . 1 1 6 6 ARG CB C 13 27.427 0.00 . . . . . . A 6 ARG CB . 30434 1
47 . 1 1 6 6 ARG N N 15 121.196 0.00 . . . . . . A 6 ARG N . 30434 1
48 . 1 1 7 7 ILE H H 1 7.650 0.00 . . . . . . A 7 ILE H . 30434 1
49 . 1 1 7 7 ILE HA H 1 3.822 0.00 . . . . . . A 7 ILE HA . 30434 1
50 . 1 1 7 7 ILE HB H 1 1.959 0.00 . . . . . . A 7 ILE HB . 30434 1
51 . 1 1 7 7 ILE HG12 H 1 1.695 0.00 . . . . . . A 7 ILE HG12 . 30434 1
52 . 1 1 7 7 ILE HG13 H 1 1.174 0.00 . . . . . . A 7 ILE HG13 . 30434 1
53 . 1 1 7 7 ILE HG21 H 1 0.884 0.00 . . . . . . A 7 ILE HG21 . 30434 1
54 . 1 1 7 7 ILE HG22 H 1 0.884 0.00 . . . . . . A 7 ILE HG22 . 30434 1
55 . 1 1 7 7 ILE HG23 H 1 0.884 0.00 . . . . . . A 7 ILE HG23 . 30434 1
56 . 1 1 7 7 ILE HD11 H 1 0.827 0.00 . . . . . . A 7 ILE HD11 . 30434 1
57 . 1 1 7 7 ILE HD12 H 1 0.827 0.00 . . . . . . A 7 ILE HD12 . 30434 1
58 . 1 1 7 7 ILE HD13 H 1 0.827 0.00 . . . . . . A 7 ILE HD13 . 30434 1
59 . 1 1 7 7 ILE CA C 13 61.996 0.00 . . . . . . A 7 ILE CA . 30434 1
60 . 1 1 7 7 ILE CB C 13 35.549 0.00 . . . . . . A 7 ILE CB . 30434 1
61 . 1 1 7 7 ILE N N 15 118.886 0.00 . . . . . . A 7 ILE N . 30434 1
62 . 1 1 8 8 ILE H H 1 7.870 0.00 . . . . . . A 8 ILE H . 30434 1
63 . 1 1 8 8 ILE HA H 1 3.655 0.00 . . . . . . A 8 ILE HA . 30434 1
64 . 1 1 8 8 ILE HB H 1 1.876 0.00 . . . . . . A 8 ILE HB . 30434 1
65 . 1 1 8 8 ILE HG12 H 1 1.802 0.00 . . . . . . A 8 ILE HG12 . 30434 1
66 . 1 1 8 8 ILE HG13 H 1 0.997 0.00 . . . . . . A 8 ILE HG13 . 30434 1
67 . 1 1 8 8 ILE HG21 H 1 0.861 0.00 . . . . . . A 8 ILE HG21 . 30434 1
68 . 1 1 8 8 ILE HG22 H 1 0.861 0.00 . . . . . . A 8 ILE HG22 . 30434 1
69 . 1 1 8 8 ILE HG23 H 1 0.861 0.00 . . . . . . A 8 ILE HG23 . 30434 1
70 . 1 1 8 8 ILE HD11 H 1 0.767 0.00 . . . . . . A 8 ILE HD11 . 30434 1
71 . 1 1 8 8 ILE HD12 H 1 0.767 0.00 . . . . . . A 8 ILE HD12 . 30434 1
72 . 1 1 8 8 ILE HD13 H 1 0.767 0.00 . . . . . . A 8 ILE HD13 . 30434 1
73 . 1 1 8 8 ILE CA C 13 62.856 0.00 . . . . . . A 8 ILE CA . 30434 1
74 . 1 1 8 8 ILE CB C 13 35.312 0.00 . . . . . . A 8 ILE CB . 30434 1
75 . 1 1 8 8 ILE N N 15 118.351 0.00 . . . . . . A 8 ILE N . 30434 1
76 . 1 1 9 9 LEU H H 1 8.141 0.00 . . . . . . A 9 LEU H . 30434 1
77 . 1 1 9 9 LEU HA H 1 3.970 0.00 . . . . . . A 9 LEU HA . 30434 1
78 . 1 1 9 9 LEU HB2 H 1 1.878 0.00 . . . . . . A 9 LEU HB2 . 30434 1
79 . 1 1 9 9 LEU HB3 H 1 1.506 0.00 . . . . . . A 9 LEU HB3 . 30434 1
80 . 1 1 9 9 LEU HG H 1 1.835 0.00 . . . . . . A 9 LEU HG . 30434 1
81 . 1 1 9 9 LEU HD11 H 1 0.870 0.00 . . . . . . A 9 LEU HD11 . 30434 1
82 . 1 1 9 9 LEU HD12 H 1 0.870 0.00 . . . . . . A 9 LEU HD12 . 30434 1
83 . 1 1 9 9 LEU HD13 H 1 0.870 0.00 . . . . . . A 9 LEU HD13 . 30434 1
84 . 1 1 9 9 LEU HD21 H 1 0.770 0.00 . . . . . . A 9 LEU HD21 . 30434 1
85 . 1 1 9 9 LEU HD22 H 1 0.770 0.00 . . . . . . A 9 LEU HD22 . 30434 1
86 . 1 1 9 9 LEU HD23 H 1 0.770 0.00 . . . . . . A 9 LEU HD23 . 30434 1
87 . 1 1 9 9 LEU CB C 13 38.887 0.00 . . . . . . A 9 LEU CB . 30434 1
88 . 1 1 9 9 LEU N N 15 119.283 0.00 . . . . . . A 9 LEU N . 30434 1
89 . 1 1 10 10 ASP H H 1 8.550 0.00 . . . . . . A 10 ASP H . 30434 1
90 . 1 1 10 10 ASP HA H 1 4.352 0.00 . . . . . . A 10 ASP HA . 30434 1
91 . 1 1 10 10 ASP HB2 H 1 2.889 0.01 . . . . . . A 10 ASP HB2 . 30434 1
92 . 1 1 10 10 ASP HB3 H 1 2.567 0.00 . . . . . . A 10 ASP HB3 . 30434 1
93 . 1 1 10 10 ASP CA C 13 54.856 0.00 . . . . . . A 10 ASP CA . 30434 1
94 . 1 1 10 10 ASP CB C 13 37.197 0.00 . . . . . . A 10 ASP CB . 30434 1
95 . 1 1 10 10 ASP N N 15 118.327 0.00 . . . . . . A 10 ASP N . 30434 1
96 . 1 1 11 11 PHE H H 1 7.727 0.00 . . . . . . A 11 PHE H . 30434 1
97 . 1 1 11 11 PHE HA H 1 4.361 0.00 . . . . . . A 11 PHE HA . 30434 1
98 . 1 1 11 11 PHE HB2 H 1 3.234 0.00 . . . . . . A 11 PHE HB2 . 30434 1
99 . 1 1 11 11 PHE HB3 H 1 3.174 0.00 . . . . . . A 11 PHE HB3 . 30434 1
100 . 1 1 11 11 PHE HE2 H 1 7.195 0.00 . . . . . . A 11 PHE HE2 . 30434 1
101 . 1 1 11 11 PHE CA C 13 58.315 0.00 . . . . . . A 11 PHE CA . 30434 1
102 . 1 1 11 11 PHE CB C 13 36.983 0.00 . . . . . . A 11 PHE CB . 30434 1
103 . 1 1 11 11 PHE N N 15 119.355 0.00 . . . . . . A 11 PHE N . 30434 1
104 . 1 1 12 12 LEU H H 1 8.193 0.00 . . . . . . A 12 LEU H . 30434 1
105 . 1 1 12 12 LEU HA H 1 3.773 0.00 . . . . . . A 12 LEU HA . 30434 1
106 . 1 1 12 12 LEU HB2 H 1 1.633 0.00 . . . . . . A 12 LEU HB2 . 30434 1
107 . 1 1 12 12 LEU HB3 H 1 1.078 0.00 . . . . . . A 12 LEU HB3 . 30434 1
108 . 1 1 12 12 LEU HG H 1 1.827 0.00 . . . . . . A 12 LEU HG . 30434 1
109 . 1 1 12 12 LEU HD11 H 1 0.869 0.00 . . . . . . A 12 LEU HD11 . 30434 1
110 . 1 1 12 12 LEU HD12 H 1 0.869 0.00 . . . . . . A 12 LEU HD12 . 30434 1
111 . 1 1 12 12 LEU HD13 H 1 0.869 0.00 . . . . . . A 12 LEU HD13 . 30434 1
112 . 1 1 12 12 LEU HD21 H 1 0.765 0.00 . . . . . . A 12 LEU HD21 . 30434 1
113 . 1 1 12 12 LEU HD22 H 1 0.765 0.00 . . . . . . A 12 LEU HD22 . 30434 1
114 . 1 1 12 12 LEU HD23 H 1 0.765 0.00 . . . . . . A 12 LEU HD23 . 30434 1
115 . 1 1 12 12 LEU CA C 13 54.529 0.00 . . . . . . A 12 LEU CA . 30434 1
116 . 1 1 12 12 LEU CB C 13 39.757 0.00 . . . . . . A 12 LEU CB . 30434 1
117 . 1 1 12 12 LEU N N 15 117.058 0.00 . . . . . . A 12 LEU N . 30434 1
118 . 1 1 13 13 PHE H H 1 7.829 0.00 . . . . . . A 13 PHE H . 30434 1
119 . 1 1 13 13 PHE HA H 1 4.536 0.00 . . . . . . A 13 PHE HA . 30434 1
120 . 1 1 13 13 PHE HB2 H 1 3.288 0.00 . . . . . . A 13 PHE HB2 . 30434 1
121 . 1 1 13 13 PHE HB3 H 1 2.905 0.00 . . . . . . A 13 PHE HB3 . 30434 1
122 . 1 1 13 13 PHE HD2 H 1 7.224 0.00 . . . . . . A 13 PHE HD2 . 30434 1
123 . 1 1 13 13 PHE HE2 H 1 7.368 0.00 . . . . . . A 13 PHE HE2 . 30434 1
124 . 1 1 13 13 PHE CA C 13 55.001 0.00 . . . . . . A 13 PHE CA . 30434 1
125 . 1 1 13 13 PHE CB C 13 36.544 0.00 . . . . . . A 13 PHE CB . 30434 1
126 . 1 1 13 13 PHE N N 15 111.820 0.00 . . . . . . A 13 PHE N . 30434 1
127 . 1 1 14 14 LEU H H 1 7.628 0.00 . . . . . . A 14 DLE H . 30434 1
128 . 1 1 14 14 LEU N N 15 122.659 0.00 . . . . . . A 14 DLE N . 30434 1
129 . 1 1 14 14 LEU CA C 13 54.573 0.00 . . . . . . A 14 DLE CA . 30434 1
130 . 1 1 14 14 LEU CB C 13 39.594 0.00 . . . . . . A 14 DLE CB . 30434 1
131 . 1 1 14 14 LEU HA H 1 4.035 0.00 . . . . . . A 14 DLE HA . 30434 1
132 . 1 1 14 14 LEU HB2 H 1 1.744 0.00 . . . . . . A 14 DLE HB2 . 30434 1
133 . 1 1 14 14 LEU HB3 H 1 1.550 0.00 . . . . . . A 14 DLE HB3 . 30434 1
134 . 1 1 14 14 LEU HD11 H 1 0.810 0.00 . . . . . . A 14 DLE HD11 . 30434 1
135 . 1 1 14 14 LEU HD12 H 1 0.810 0.00 . . . . . . A 14 DLE HD12 . 30434 1
136 . 1 1 14 14 LEU HD13 H 1 0.810 0.00 . . . . . . A 14 DLE HD13 . 30434 1
137 . 1 1 14 14 LEU HD21 H 1 0.761 0.00 . . . . . . A 14 DLE HD21 . 30434 1
138 . 1 1 14 14 LEU HD22 H 1 0.761 0.00 . . . . . . A 14 DLE HD22 . 30434 1
139 . 1 1 14 14 LEU HD23 H 1 0.761 0.00 . . . . . . A 14 DLE HD23 . 30434 1
140 . 1 1 14 14 LEU HG H 1 1.512 0.00 . . . . . . A 14 DLE HG . 30434 1
141 . 1 1 15 15 ARG H H 1 8.341 0.00 . . . . . . A 15 ARG H . 30434 1
142 . 1 1 15 15 ARG HA H 1 4.232 0.00 . . . . . . A 15 ARG HA . 30434 1
143 . 1 1 15 15 ARG HB2 H 1 1.761 0.00 . . . . . . A 15 ARG HB2 . 30434 1
144 . 1 1 15 15 ARG HB3 H 1 1.702 0.00 . . . . . . A 15 ARG HB3 . 30434 1
145 . 1 1 15 15 ARG HG2 H 1 1.567 0.01 . . . . . . A 15 ARG HG2 . 30434 1
146 . 1 1 15 15 ARG HG3 H 1 1.510 0.00 . . . . . . A 15 ARG HG3 . 30434 1
147 . 1 1 15 15 ARG HD2 H 1 3.114 0.00 . . . . . . A 15 ARG HD2 . 30434 1
148 . 1 1 15 15 ARG HE H 1 7.401 0.00 . . . . . . A 15 ARG HE . 30434 1
149 . 1 1 15 15 ARG CA C 13 53.560 0.00 . . . . . . A 15 ARG CA . 30434 1
150 . 1 1 15 15 ARG CB C 13 27.705 0.00 . . . . . . A 15 ARG CB . 30434 1
151 . 1 1 15 15 ARG N N 15 117.404 0.00 . . . . . . A 15 ARG N . 30434 1
152 . 1 1 16 16 LYS H H 1 8.035 0.00 . . . . . . A 16 LYS H . 30434 1
153 . 1 1 16 16 LYS HA H 1 4.255 0.01 . . . . . . A 16 LYS HA . 30434 1
154 . 1 1 16 16 LYS HB2 H 1 1.753 0.00 . . . . . . A 16 LYS HB2 . 30434 1
155 . 1 1 16 16 LYS HB3 H 1 1.635 0.00 . . . . . . A 16 LYS HB3 . 30434 1
156 . 1 1 16 16 LYS HG2 H 1 1.358 0.00 . . . . . . A 16 LYS HG2 . 30434 1
157 . 1 1 16 16 LYS HG3 H 1 1.324 0.00 . . . . . . A 16 LYS HG3 . 30434 1
158 . 1 1 16 16 LYS HE2 H 1 2.909 0.00 . . . . . . A 16 LYS HE2 . 30434 1
159 . 1 1 16 16 LYS CA C 13 53.381 0.00 . . . . . . A 16 LYS CA . 30434 1
160 . 1 1 16 16 LYS CB C 13 30.927 0.00 . . . . . . A 16 LYS CB . 30434 1
161 . 1 1 16 16 LYS N N 15 122.455 0.00 . . . . . . A 16 LYS N . 30434 1
162 . 1 1 17 17 LYS H H 1 7.925 0.00 . . . . . . A 17 LYS H . 30434 1
163 . 1 1 17 17 LYS HA H 1 4.076 0.00 . . . . . . A 17 LYS HA . 30434 1
164 . 1 1 17 17 LYS HB2 H 1 1.744 0.01 . . . . . . A 17 LYS HB2 . 30434 1
165 . 1 1 17 17 LYS HB3 H 1 1.634 0.00 . . . . . . A 17 LYS HB3 . 30434 1
166 . 1 1 17 17 LYS HG2 H 1 1.319 0.00 . . . . . . A 17 LYS HG2 . 30434 1
167 . 1 1 17 17 LYS CA C 13 54.997 0.00 . . . . . . A 17 LYS CA . 30434 1
168 . 1 1 17 17 LYS CB C 13 30.983 0.00 . . . . . . A 17 LYS CB . 30434 1
169 . 1 1 17 17 LYS N N 15 128.017 0.00 . . . . . . A 17 LYS N . 30434 1
stop_
save_