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 30601
_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 COSY' . . . 30601 1
2 '2D 1H-1H TOCSY' . . . 30601 1
3 '2D 1H-1H NOESY' . . . 30601 1
4 '2D 1H-15N HSQC' . . . 30601 1
5 '2D 1H-13C HSQC' . . . 30601 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 2 2 MET HA H 1 4.519 0.00 . . . . . . A 2 MET HA . 30601 1
2 . 1 . 1 2 2 MET HB2 H 1 2.052 0.00 . . . . . . A 2 MET HB2 . 30601 1
3 . 1 . 1 2 2 MET HG2 H 1 2.596 0.00 . . . . . . A 2 MET HG2 . 30601 1
4 . 1 . 1 2 2 MET HG3 H 1 2.553 0.00 . . . . . . A 2 MET HG3 . 30601 1
5 . 1 . 1 2 2 MET CA C 13 55.819 0.00 . . . . . . A 2 MET CA . 30601 1
6 . 1 . 1 3 3 ARG H H 1 8.681 0.00 . . . . . . A 3 ARG H . 30601 1
7 . 1 . 1 3 3 ARG HA H 1 4.423 0.00 . . . . . . A 3 ARG HA . 30601 1
8 . 1 . 1 3 3 ARG HB2 H 1 1.862 0.00 . . . . . . A 3 ARG HB2 . 30601 1
9 . 1 . 1 3 3 ARG HB3 H 1 1.795 0.00 . . . . . . A 3 ARG HB3 . 30601 1
10 . 1 . 1 3 3 ARG HG2 H 1 1.652 0.00 . . . . . . A 3 ARG HG2 . 30601 1
11 . 1 . 1 3 3 ARG HG3 H 1 1.601 0.00 . . . . . . A 3 ARG HG3 . 30601 1
12 . 1 . 1 3 3 ARG HD2 H 1 3.209 0.00 . . . . . . A 3 ARG HD2 . 30601 1
13 . 1 . 1 3 3 ARG CA C 13 56.052 0.00 . . . . . . A 3 ARG CA . 30601 1
14 . 1 . 1 3 3 ARG CB C 13 31.073 0.00 . . . . . . A 3 ARG CB . 30601 1
15 . 1 . 1 3 3 ARG N N 15 123.604 0.00 . . . . . . A 3 ARG N . 30601 1
16 . 1 . 1 4 4 LEU H H 1 8.491 0.00 . . . . . . A 4 LEU H . 30601 1
17 . 1 . 1 4 4 LEU HA H 1 4.386 0.00 . . . . . . A 4 LEU HA . 30601 1
18 . 1 . 1 4 4 LEU HB2 H 1 1.683 0.00 . . . . . . A 4 LEU HB2 . 30601 1
19 . 1 . 1 4 4 LEU HB3 H 1 1.670 0.00 . . . . . . A 4 LEU HB3 . 30601 1
20 . 1 . 1 4 4 LEU HG H 1 1.690 0.00 . . . . . . A 4 LEU HG . 30601 1
21 . 1 . 1 4 4 LEU HD11 H 1 0.959 0.00 . . . . . . A 4 LEU HD11 . 30601 1
22 . 1 . 1 4 4 LEU HD12 H 1 0.959 0.00 . . . . . . A 4 LEU HD12 . 30601 1
23 . 1 . 1 4 4 LEU HD13 H 1 0.959 0.00 . . . . . . A 4 LEU HD13 . 30601 1
24 . 1 . 1 4 4 LEU HD21 H 1 0.905 0.00 . . . . . . A 4 LEU HD21 . 30601 1
25 . 1 . 1 4 4 LEU HD22 H 1 0.905 0.00 . . . . . . A 4 LEU HD22 . 30601 1
26 . 1 . 1 4 4 LEU HD23 H 1 0.905 0.00 . . . . . . A 4 LEU HD23 . 30601 1
27 . 1 . 1 4 4 LEU CA C 13 55.430 0.00 . . . . . . A 4 LEU CA . 30601 1
28 . 1 . 1 4 4 LEU CB C 13 42.639 0.00 . . . . . . A 4 LEU CB . 30601 1
29 . 1 . 1 4 4 LEU N N 15 123.056 0.00 . . . . . . A 4 LEU N . 30601 1
30 . 1 . 1 5 5 SER H H 1 8.538 0.00 . . . . . . A 5 SER H . 30601 1
31 . 1 . 1 5 5 SER HA H 1 4.375 0.00 . . . . . . A 5 SER HA . 30601 1
32 . 1 . 1 5 5 SER HB2 H 1 3.988 0.00 . . . . . . A 5 SER HB2 . 30601 1
33 . 1 . 1 5 5 SER HB3 H 1 3.902 0.00 . . . . . . A 5 SER HB3 . 30601 1
34 . 1 . 1 5 5 SER CA C 13 59.330 0.00 . . . . . . A 5 SER CA . 30601 1
35 . 1 . 1 5 5 SER CB C 13 63.769 0.00 . . . . . . A 5 SER CB . 30601 1
36 . 1 . 1 5 5 SER N N 15 115.418 0.00 . . . . . . A 5 SER N . 30601 1
37 . 1 . 1 6 6 DPP H H 1 8.137 0.00 . . . . . . A 6 DPP H . 30601 1
38 . 1 . 1 6 6 DPP HA H 1 4.569 0.00 . . . . . . A 6 DPP HA . 30601 1
39 . 1 . 1 6 6 DPP HB2 H 1 4.033 0.00 . . . . . . A 6 DPP HB2 . 30601 1
40 . 1 . 1 6 6 DPP HB3 H 1 3.346 0.00 . . . . . . A 6 DPP HB3 . 30601 1
41 . 1 . 1 6 6 DPP HG1 H 1 8.057 0.00 . . . . . . A 6 DPP HG1 . 30601 1
42 . 1 . 1 7 7 PHE H H 1 8.350 0.00 . . . . . . A 7 PHE H . 30601 1
43 . 1 . 1 7 7 PHE HA H 1 4.601 0.00 . . . . . . A 7 PHE HA . 30601 1
44 . 1 . 1 7 7 PHE HB2 H 1 3.050 0.00 . . . . . . A 7 PHE HB2 . 30601 1
45 . 1 . 1 7 7 PHE HB3 H 1 2.949 0.00 . . . . . . A 7 PHE HB3 . 30601 1
46 . 1 . 1 7 7 PHE HD2 H 1 6.903 0.00 . . . . . . A 7 PHE HD2 . 30601 1
47 . 1 . 1 7 7 PHE HE2 H 1 7.278 0.00 . . . . . . A 7 PHE HE2 . 30601 1
48 . 1 . 1 7 7 PHE CA C 13 59.821 0.00 . . . . . . A 7 PHE CA . 30601 1
49 . 1 . 1 7 7 PHE CB C 13 41.065 0.00 . . . . . . A 7 PHE CB . 30601 1
50 . 1 . 1 8 8 PHE H H 1 8.347 0.00 . . . . . . A 8 PHE H . 30601 1
51 . 1 . 1 8 8 PHE HA H 1 4.304 0.00 . . . . . . A 8 PHE HA . 30601 1
52 . 1 . 1 8 8 PHE HB2 H 1 3.182 0.01 . . . . . . A 8 PHE HB2 . 30601 1
53 . 1 . 1 8 8 PHE HD2 H 1 7.080 0.00 . . . . . . A 8 PHE HD2 . 30601 1
54 . 1 . 1 8 8 PHE HE2 H 1 7.322 0.00 . . . . . . A 8 PHE HE2 . 30601 1
55 . 1 . 1 8 8 PHE HZ H 1 7.305 0.00 . . . . . . A 8 PHE HZ . 30601 1
56 . 1 . 1 8 8 PHE CA C 13 61.396 0.00 . . . . . . A 8 PHE CA . 30601 1
57 . 1 . 1 9 9 ARG H H 1 8.881 0.00 . . . . . . A 9 ARG H . 30601 1
58 . 1 . 1 9 9 ARG HA H 1 3.863 0.04 . . . . . . A 9 ARG HA . 30601 1
59 . 1 . 1 9 9 ARG HB2 H 1 1.825 0.00 . . . . . . A 9 ARG HB2 . 30601 1
60 . 1 . 1 9 9 ARG HB3 H 1 1.667 0.00 . . . . . . A 9 ARG HB3 . 30601 1
61 . 1 . 1 9 9 ARG HG2 H 1 1.585 0.00 . . . . . . A 9 ARG HG2 . 30601 1
62 . 1 . 1 9 9 ARG HD2 H 1 3.208 0.00 . . . . . . A 9 ARG HD2 . 30601 1
63 . 1 . 1 9 9 ARG HE H 1 7.624 0.00 . . . . . . A 9 ARG HE . 30601 1
64 . 1 . 1 9 9 ARG CA C 13 59.364 0.00 . . . . . . A 9 ARG CA . 30601 1
65 . 1 . 1 10 10 GLN H H 1 8.137 0.00 . . . . . . A 10 GLN H . 30601 1
66 . 1 . 1 10 10 GLN HA H 1 3.974 0.00 . . . . . . A 10 GLN HA . 30601 1
67 . 1 . 1 10 10 GLN HB2 H 1 1.843 0.00 . . . . . . A 10 GLN HB2 . 30601 1
68 . 1 . 1 10 10 GLN HB3 H 1 1.745 0.00 . . . . . . A 10 GLN HB3 . 30601 1
69 . 1 . 1 10 10 GLN HG2 H 1 2.434 0.00 . . . . . . A 10 GLN HG2 . 30601 1
70 . 1 . 1 10 10 GLN HG3 H 1 2.040 0.00 . . . . . . A 10 GLN HG3 . 30601 1
71 . 1 . 1 11 11 PHE H H 1 7.604 0.00 . . . . . . A 11 PHE H . 30601 1
72 . 1 . 1 11 11 PHE HA H 1 4.437 0.00 . . . . . . A 11 PHE HA . 30601 1
73 . 1 . 1 11 11 PHE HB2 H 1 3.072 0.00 . . . . . . A 11 PHE HB2 . 30601 1
74 . 1 . 1 11 11 PHE HB3 H 1 2.888 0.00 . . . . . . A 11 PHE HB3 . 30601 1
75 . 1 . 1 11 11 PHE HD2 H 1 7.193 0.00 . . . . . . A 11 PHE HD2 . 30601 1
76 . 1 . 1 11 11 PHE HE2 H 1 7.277 0.00 . . . . . . A 11 PHE HE2 . 30601 1
77 . 1 . 1 11 11 PHE CA C 13 59.549 0.00 . . . . . . A 11 PHE CA . 30601 1
78 . 1 . 1 11 11 PHE CB C 13 39.835 0.00 . . . . . . A 11 PHE CB . 30601 1
79 . 1 . 1 12 12 ILE H H 1 7.550 0.00 . . . . . . A 12 ILE H . 30601 1
80 . 1 . 1 12 12 ILE HA H 1 3.904 0.00 . . . . . . A 12 ILE HA . 30601 1
81 . 1 . 1 12 12 ILE HB H 1 1.954 0.00 . . . . . . A 12 ILE HB . 30601 1
82 . 1 . 1 12 12 ILE HG12 H 1 1.460 0.00 . . . . . . A 12 ILE HG12 . 30601 1
83 . 1 . 1 12 12 ILE HG13 H 1 1.165 0.00 . . . . . . A 12 ILE HG13 . 30601 1
84 . 1 . 1 12 12 ILE HG21 H 1 0.853 0.00 . . . . . . A 12 ILE HG21 . 30601 1
85 . 1 . 1 12 12 ILE HG22 H 1 0.853 0.00 . . . . . . A 12 ILE HG22 . 30601 1
86 . 1 . 1 12 12 ILE HG23 H 1 0.853 0.00 . . . . . . A 12 ILE HG23 . 30601 1
87 . 1 . 1 12 12 ILE HD11 H 1 0.798 0.00 . . . . . . A 12 ILE HD11 . 30601 1
88 . 1 . 1 12 12 ILE HD12 H 1 0.798 0.00 . . . . . . A 12 ILE HD12 . 30601 1
89 . 1 . 1 12 12 ILE HD13 H 1 0.798 0.00 . . . . . . A 12 ILE HD13 . 30601 1
90 . 1 . 1 12 12 ILE CA C 13 62.299 0.00 . . . . . . A 12 ILE CA . 30601 1
91 . 1 . 1 12 12 ILE CB C 13 37.890 0.00 . . . . . . A 12 ILE CB . 30601 1
92 . 1 . 1 12 12 ILE N N 15 116.787 0.00 . . . . . . A 12 ILE N . 30601 1
93 . 1 . 1 13 13 LEU H H 1 7.877 0.00 . . . . . . A 13 LEU H . 30601 1
94 . 1 . 1 13 13 LEU HA H 1 4.195 0.00 . . . . . . A 13 LEU HA . 30601 1
95 . 1 . 1 13 13 LEU HB2 H 1 1.706 0.00 . . . . . . A 13 LEU HB2 . 30601 1
96 . 1 . 1 13 13 LEU HB3 H 1 1.576 0.00 . . . . . . A 13 LEU HB3 . 30601 1
97 . 1 . 1 13 13 LEU HD11 H 1 0.905 0.00 . . . . . . A 13 LEU HD11 . 30601 1
98 . 1 . 1 13 13 LEU HD12 H 1 0.905 0.00 . . . . . . A 13 LEU HD12 . 30601 1
99 . 1 . 1 13 13 LEU HD13 H 1 0.905 0.00 . . . . . . A 13 LEU HD13 . 30601 1
100 . 1 . 1 13 13 LEU HD21 H 1 0.864 0.00 . . . . . . A 13 LEU HD21 . 30601 1
101 . 1 . 1 13 13 LEU HD22 H 1 0.864 0.00 . . . . . . A 13 LEU HD22 . 30601 1
102 . 1 . 1 13 13 LEU HD23 H 1 0.864 0.00 . . . . . . A 13 LEU HD23 . 30601 1
103 . 1 . 1 13 13 LEU CB C 13 41.963 0.00 . . . . . . A 13 LEU CB . 30601 1
104 . 1 . 1 13 13 LEU N N 15 119.045 0.00 . . . . . . A 13 LEU N . 30601 1
105 . 1 . 1 14 14 GLN H H 1 7.800 0.00 . . . . . . A 14 GLN H . 30601 1
106 . 1 . 1 14 14 GLN HA H 1 4.209 0.00 . . . . . . A 14 GLN HA . 30601 1
107 . 1 . 1 14 14 GLN HB2 H 1 2.069 0.00 . . . . . . A 14 GLN HB2 . 30601 1
108 . 1 . 1 14 14 GLN HB3 H 1 1.972 0.00 . . . . . . A 14 GLN HB3 . 30601 1
109 . 1 . 1 14 14 GLN HG2 H 1 2.303 0.00 . . . . . . A 14 GLN HG2 . 30601 1
110 . 1 . 1 14 14 GLN CA C 13 56.001 0.00 . . . . . . A 14 GLN CA . 30601 1
111 . 1 . 1 14 14 GLN CB C 13 28.920 0.00 . . . . . . A 14 GLN CB . 30601 1
112 . 1 . 1 14 14 GLN N N 15 117.833 0.00 . . . . . . A 14 GLN N . 30601 1
113 . 1 . 1 15 15 ARG H H 1 7.967 0.00 . . . . . . A 15 ARG H . 30601 1
114 . 1 . 1 15 15 ARG HA H 1 4.256 0.00 . . . . . . A 15 ARG HA . 30601 1
115 . 1 . 1 15 15 ARG HB2 H 1 1.828 0.00 . . . . . . A 15 ARG HB2 . 30601 1
116 . 1 . 1 15 15 ARG HB3 H 1 1.703 0.00 . . . . . . A 15 ARG HB3 . 30601 1
117 . 1 . 1 15 15 ARG HG2 H 1 1.570 0.00 . . . . . . A 15 ARG HG2 . 30601 1
118 . 1 . 1 15 15 ARG HD2 H 1 3.112 0.00 . . . . . . A 15 ARG HD2 . 30601 1
119 . 1 . 1 15 15 ARG HE H 1 7.442 0.00 . . . . . . A 15 ARG HE . 30601 1
120 . 1 . 1 15 15 ARG CA C 13 56.171 0.00 . . . . . . A 15 ARG CA . 30601 1
121 . 1 . 1 15 15 ARG CB C 13 30.769 0.00 . . . . . . A 15 ARG CB . 30601 1
122 . 1 . 1 15 15 ARG N N 15 120.797 0.00 . . . . . . A 15 ARG N . 30601 1
123 . 1 . 1 16 16 LYS H H 1 8.249 0.00 . . . . . . A 16 LYS H . 30601 1
124 . 1 . 1 16 16 LYS HA H 1 4.270 0.01 . . . . . . A 16 LYS HA . 30601 1
125 . 1 . 1 16 16 LYS HB2 H 1 1.847 0.00 . . . . . . A 16 LYS HB2 . 30601 1
126 . 1 . 1 16 16 LYS HB3 H 1 1.734 0.00 . . . . . . A 16 LYS HB3 . 30601 1
127 . 1 . 1 16 16 LYS HG2 H 1 1.438 0.01 . . . . . . A 16 LYS HG2 . 30601 1
128 . 1 . 1 16 16 LYS CA C 13 56.397 0.00 . . . . . . A 16 LYS CA . 30601 1
129 . 1 . 1 16 16 LYS CB C 13 33.109 0.00 . . . . . . A 16 LYS CB . 30601 1
130 . 1 . 1 16 16 LYS N N 15 122.689 0.00 . . . . . . A 16 LYS N . 30601 1
131 . 1 . 1 17 17 LYS H H 1 7.921 0.00 . . . . . . A 17 LYS H . 30601 1
132 . 1 . 1 17 17 LYS HA H 1 4.103 0.00 . . . . . . A 17 LYS HA . 30601 1
133 . 1 . 1 17 17 LYS HB2 H 1 1.790 0.00 . . . . . . A 17 LYS HB2 . 30601 1
134 . 1 . 1 17 17 LYS HB3 H 1 1.698 0.00 . . . . . . A 17 LYS HB3 . 30601 1
135 . 1 . 1 17 17 LYS HG2 H 1 1.385 0.00 . . . . . . A 17 LYS HG2 . 30601 1
136 . 1 . 1 17 17 LYS HD2 H 1 1.664 0.00 . . . . . . A 17 LYS HD2 . 30601 1
137 . 1 . 1 17 17 LYS CA C 13 57.867 0.00 . . . . . . A 17 LYS CA . 30601 1
138 . 1 . 1 17 17 LYS CB C 13 33.704 0.00 . . . . . . A 17 LYS CB . 30601 1
139 . 1 . 1 17 17 LYS N N 15 127.993 0.00 . . . . . . A 17 LYS N . 30601 1
stop_
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