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 30594
_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' . . . 30594 1
2 '2D 1H-1H TOCSY' . . . 30594 1
3 '2D 1H-1H NOESY' . . . 30594 1
4 '2D 1H-15N HSQC' . . . 30594 1
5 '2D 1H-13C HSQC' . . . 30594 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 4.573 0.00 . . . . . . A 2 MET HA . 30594 1
2 . 1 . 1 2 2 MET HB2 H 1 2.130 0.00 . . . . . . A 2 MET HB2 . 30594 1
3 . 1 . 1 2 2 MET HG2 H 1 2.648 0.00 . . . . . . A 2 MET HG2 . 30594 1
4 . 1 . 1 2 2 MET HG3 H 1 2.628 0.01 . . . . . . A 2 MET HG3 . 30594 1
5 . 1 . 1 2 2 MET CA C 13 55.873 0.00 . . . . . . A 2 MET CA . 30594 1
6 . 1 . 1 3 3 ARG H H 1 8.855 0.00 . . . . . . A 3 ARG H . 30594 1
7 . 1 . 1 3 3 ARG HA H 1 4.403 0.00 . . . . . . A 3 ARG HA . 30594 1
8 . 1 . 1 3 3 ARG HB2 H 1 1.876 0.00 . . . . . . A 3 ARG HB2 . 30594 1
9 . 1 . 1 3 3 ARG HB3 H 1 1.711 0.00 . . . . . . A 3 ARG HB3 . 30594 1
10 . 1 . 1 3 3 ARG HG2 H 1 1.656 0.00 . . . . . . A 3 ARG HG2 . 30594 1
11 . 1 . 1 3 3 ARG HD2 H 1 3.245 0.00 . . . . . . A 3 ARG HD2 . 30594 1
12 . 1 . 1 3 3 ARG CA C 13 56.923 0.00 . . . . . . A 3 ARG CA . 30594 1
13 . 1 . 1 3 3 ARG N N 15 123.869 0.00 . . . . . . A 3 ARG N . 30594 1
14 . 1 . 1 4 4 LEU H H 1 8.716 0.00 . . . . . . A 4 LEU H . 30594 1
15 . 1 . 1 4 4 LEU HA H 1 4.298 0.00 . . . . . . A 4 LEU HA . 30594 1
16 . 1 . 1 4 4 LEU HB2 H 1 1.819 0.00 . . . . . . A 4 LEU HB2 . 30594 1
17 . 1 . 1 4 4 LEU HB3 H 1 1.725 0.00 . . . . . . A 4 LEU HB3 . 30594 1
18 . 1 . 1 4 4 LEU HD11 H 1 0.996 0.00 . . . . . . A 4 LEU HD11 . 30594 1
19 . 1 . 1 4 4 LEU HD12 H 1 0.996 0.00 . . . . . . A 4 LEU HD12 . 30594 1
20 . 1 . 1 4 4 LEU HD13 H 1 0.996 0.00 . . . . . . A 4 LEU HD13 . 30594 1
21 . 1 . 1 4 4 LEU HD21 H 1 0.944 0.00 . . . . . . A 4 LEU HD21 . 30594 1
22 . 1 . 1 4 4 LEU HD22 H 1 0.944 0.00 . . . . . . A 4 LEU HD22 . 30594 1
23 . 1 . 1 4 4 LEU HD23 H 1 0.944 0.00 . . . . . . A 4 LEU HD23 . 30594 1
24 . 1 . 1 4 4 LEU CA C 13 56.909 0.00 . . . . . . A 4 LEU CA . 30594 1
25 . 1 . 1 4 4 LEU CB C 13 42.219 0.00 . . . . . . A 4 LEU CB . 30594 1
26 . 1 . 1 4 4 LEU N N 15 120.743 0.00 . . . . . . A 4 LEU N . 30594 1
27 . 1 . 1 5 5 SER H H 1 8.237 0.00 . . . . . . A 5 SER H . 30594 1
28 . 1 . 1 5 5 SER HA H 1 4.214 0.00 . . . . . . A 5 SER HA . 30594 1
29 . 1 . 1 5 5 SER HB2 H 1 3.979 0.00 . . . . . . A 5 SER HB2 . 30594 1
30 . 1 . 1 5 5 SER HB3 H 1 3.918 0.00 . . . . . . A 5 SER HB3 . 30594 1
31 . 1 . 1 5 5 SER CA C 13 61.529 0.00 . . . . . . A 5 SER CA . 30594 1
32 . 1 . 1 5 5 SER CB C 13 62.997 0.00 . . . . . . A 5 SER CB . 30594 1
33 . 1 . 1 5 5 SER N N 15 113.523 0.00 . . . . . . A 5 SER N . 30594 1
34 . 1 . 1 6 6 ORN H H 1 7.859 0.00 . . . . . . A 6 ORN H . 30594 1
35 . 1 . 1 6 6 ORN N N 15 119.246 0.00 . . . . . . A 6 ORN N . 30594 1
36 . 1 . 1 6 6 ORN CA C 13 57.370 0.00 . . . . . . A 6 ORN CA . 30594 1
37 . 1 . 1 6 6 ORN HA H 1 4.092 0.00 . . . . . . A 6 ORN HA . 30594 1
38 . 1 . 1 6 6 ORN HB2 H 1 1.692 0.00 . . . . . . A 6 ORN HB2 . 30594 1
39 . 1 . 1 6 6 ORN HB3 H 1 1.618 0.00 . . . . . . A 6 ORN HB3 . 30594 1
40 . 1 . 1 6 6 ORN HD2 H 1 2.859 0.01 . . . . . . A 6 ORN HD2 . 30594 1
41 . 1 . 1 6 6 ORN HG2 H 1 1.440 0.00 . . . . . . A 6 ORN HG2 . 30594 1
42 . 1 . 1 6 6 ORN HG3 H 1 1.399 0.00 . . . . . . A 6 ORN HG3 . 30594 1
43 . 1 . 1 7 7 PHE H H 1 7.778 0.00 . . . . . . A 7 PHE H . 30594 1
44 . 1 . 1 7 7 PHE HA H 1 4.417 0.00 . . . . . . A 7 PHE HA . 30594 1
45 . 1 . 1 7 7 PHE HB2 H 1 2.953 0.00 . . . . . . A 7 PHE HB2 . 30594 1
46 . 1 . 1 7 7 PHE HB3 H 1 2.835 0.00 . . . . . . A 7 PHE HB3 . 30594 1
47 . 1 . 1 7 7 PHE HD2 H 1 7.113 0.00 . . . . . . A 7 PHE HD2 . 30594 1
48 . 1 . 1 7 7 PHE HE2 H 1 7.245 0.00 . . . . . . A 7 PHE HE2 . 30594 1
49 . 1 . 1 7 7 PHE HZ H 1 7.205 0.00 . . . . . . A 7 PHE HZ . 30594 1
50 . 1 . 1 7 7 PHE CA C 13 59.141 0.00 . . . . . . A 7 PHE CA . 30594 1
51 . 1 . 1 7 7 PHE N N 15 117.221 0.00 . . . . . . A 7 PHE N . 30594 1
52 . 1 . 1 8 8 PHE H H 1 7.705 0.00 . . . . . . A 8 PHE H . 30594 1
53 . 1 . 1 8 8 PHE HA H 1 4.212 0.00 . . . . . . A 8 PHE HA . 30594 1
54 . 1 . 1 8 8 PHE HB2 H 1 3.160 0.00 . . . . . . A 8 PHE HB2 . 30594 1
55 . 1 . 1 8 8 PHE HB3 H 1 2.910 0.00 . . . . . . A 8 PHE HB3 . 30594 1
56 . 1 . 1 8 8 PHE HE2 H 1 7.248 0.00 . . . . . . A 8 PHE HE2 . 30594 1
57 . 1 . 1 8 8 PHE HZ H 1 7.208 0.00 . . . . . . A 8 PHE HZ . 30594 1
58 . 1 . 1 8 8 PHE N N 15 116.248 0.00 . . . . . . A 8 PHE N . 30594 1
59 . 1 . 1 9 9 ARG H H 1 8.093 0.00 . . . . . . A 9 ARG H . 30594 1
60 . 1 . 1 9 9 ARG HA H 1 4.389 0.00 . . . . . . A 9 ARG HA . 30594 1
61 . 1 . 1 9 9 ARG HB2 H 1 1.838 0.00 . . . . . . A 9 ARG HB2 . 30594 1
62 . 1 . 1 9 9 ARG HB3 H 1 1.707 0.00 . . . . . . A 9 ARG HB3 . 30594 1
63 . 1 . 1 9 9 ARG HG2 H 1 1.605 0.00 . . . . . . A 9 ARG HG2 . 30594 1
64 . 1 . 1 9 9 ARG HG3 H 1 1.559 0.00 . . . . . . A 9 ARG HG3 . 30594 1
65 . 1 . 1 9 9 ARG HD2 H 1 3.180 0.00 . . . . . . A 9 ARG HD2 . 30594 1
66 . 1 . 1 9 9 ARG CA C 13 55.401 0.00 . . . . . . A 9 ARG CA . 30594 1
67 . 1 . 1 9 9 ARG N N 15 118.738 0.00 . . . . . . A 9 ARG N . 30594 1
68 . 1 . 1 11 11 PHE H H 1 7.574 0.00 . . . . . . A 11 PHE H . 30594 1
69 . 1 . 1 11 11 PHE HA H 1 4.613 0.00 . . . . . . A 11 PHE HA . 30594 1
70 . 1 . 1 11 11 PHE HB2 H 1 3.199 0.00 . . . . . . A 11 PHE HB2 . 30594 1
71 . 1 . 1 11 11 PHE HB3 H 1 2.973 0.00 . . . . . . A 11 PHE HB3 . 30594 1
72 . 1 . 1 12 12 ILE H H 1 7.985 0.00 . . . . . . A 12 ILE H . 30594 1
73 . 1 . 1 12 12 ILE HA H 1 4.236 0.00 . . . . . . A 12 ILE HA . 30594 1
74 . 1 . 1 12 12 ILE HB H 1 1.918 0.00 . . . . . . A 12 ILE HB . 30594 1
75 . 1 . 1 12 12 ILE HG12 H 1 1.387 0.00 . . . . . . A 12 ILE HG12 . 30594 1
76 . 1 . 1 12 12 ILE HG13 H 1 1.022 0.00 . . . . . . A 12 ILE HG13 . 30594 1
77 . 1 . 1 12 12 ILE HG21 H 1 0.857 0.00 . . . . . . A 12 ILE HG21 . 30594 1
78 . 1 . 1 12 12 ILE HG22 H 1 0.857 0.00 . . . . . . A 12 ILE HG22 . 30594 1
79 . 1 . 1 12 12 ILE HG23 H 1 0.857 0.00 . . . . . . A 12 ILE HG23 . 30594 1
80 . 1 . 1 12 12 ILE HD11 H 1 0.821 0.00 . . . . . . A 12 ILE HD11 . 30594 1
81 . 1 . 1 12 12 ILE HD12 H 1 0.821 0.00 . . . . . . A 12 ILE HD12 . 30594 1
82 . 1 . 1 12 12 ILE HD13 H 1 0.821 0.00 . . . . . . A 12 ILE HD13 . 30594 1
83 . 1 . 1 12 12 ILE CA C 13 61.718 0.00 . . . . . . A 12 ILE CA . 30594 1
84 . 1 . 1 13 13 LEU H H 1 8.429 0.00 . . . . . . A 13 LEU H . 30594 1
85 . 1 . 1 13 13 LEU HA H 1 4.365 0.00 . . . . . . A 13 LEU HA . 30594 1
86 . 1 . 1 13 13 LEU HB2 H 1 1.662 0.00 . . . . . . A 13 LEU HB2 . 30594 1
87 . 1 . 1 13 13 LEU HB3 H 1 1.612 0.00 . . . . . . A 13 LEU HB3 . 30594 1
88 . 1 . 1 13 13 LEU HD11 H 1 0.897 0.00 . . . . . . A 13 LEU HD11 . 30594 1
89 . 1 . 1 13 13 LEU HD12 H 1 0.897 0.00 . . . . . . A 13 LEU HD12 . 30594 1
90 . 1 . 1 13 13 LEU HD13 H 1 0.897 0.00 . . . . . . A 13 LEU HD13 . 30594 1
91 . 1 . 1 13 13 LEU HD21 H 1 0.841 0.00 . . . . . . A 13 LEU HD21 . 30594 1
92 . 1 . 1 13 13 LEU HD22 H 1 0.841 0.00 . . . . . . A 13 LEU HD22 . 30594 1
93 . 1 . 1 13 13 LEU HD23 H 1 0.841 0.00 . . . . . . A 13 LEU HD23 . 30594 1
94 . 1 . 1 13 13 LEU CA C 13 55.834 0.00 . . . . . . A 13 LEU CA . 30594 1
95 . 1 . 1 13 13 LEU CB C 13 42.215 0.00 . . . . . . A 13 LEU CB . 30594 1
96 . 1 . 1 13 13 LEU N N 15 123.798 0.00 . . . . . . A 13 LEU N . 30594 1
97 . 1 . 1 14 14 GLN H H 1 8.206 0.00 . . . . . . A 14 GLN H . 30594 1
98 . 1 . 1 14 14 GLN HA H 1 4.351 0.00 . . . . . . A 14 GLN HA . 30594 1
99 . 1 . 1 14 14 GLN HB2 H 1 2.021 0.00 . . . . . . A 14 GLN HB2 . 30594 1
100 . 1 . 1 14 14 GLN HB3 H 1 1.908 0.00 . . . . . . A 14 GLN HB3 . 30594 1
101 . 1 . 1 14 14 GLN HG2 H 1 2.258 0.01 . . . . . . A 14 GLN HG2 . 30594 1
102 . 1 . 1 14 14 GLN CA C 13 55.596 0.00 . . . . . . A 14 GLN CA . 30594 1
103 . 1 . 1 14 14 GLN CB C 13 29.926 0.00 . . . . . . A 14 GLN CB . 30594 1
104 . 1 . 1 14 14 GLN N N 15 120.833 0.00 . . . . . . A 14 GLN N . 30594 1
105 . 1 . 1 15 15 ARG H H 1 8.419 0.00 . . . . . . A 15 ARG H . 30594 1
106 . 1 . 1 15 15 ARG HA H 1 4.368 0.00 . . . . . . A 15 ARG HA . 30594 1
107 . 1 . 1 15 15 ARG HB2 H 1 1.858 0.00 . . . . . . A 15 ARG HB2 . 30594 1
108 . 1 . 1 15 15 ARG HB3 H 1 1.734 0.00 . . . . . . A 15 ARG HB3 . 30594 1
109 . 1 . 1 15 15 ARG HD2 H 1 3.179 0.00 . . . . . . A 15 ARG HD2 . 30594 1
110 . 1 . 1 15 15 ARG HE H 1 7.478 0.02 . . . . . . A 15 ARG HE . 30594 1
111 . 1 . 1 15 15 ARG CA C 13 55.053 0.00 . . . . . . A 15 ARG CA . 30594 1
112 . 1 . 1 15 15 ARG N N 15 122.825 0.00 . . . . . . A 15 ARG N . 30594 1
113 . 1 . 1 16 16 LYS H H 1 8.448 0.00 . . . . . . A 16 LYS H . 30594 1
114 . 1 . 1 16 16 LYS HA H 1 4.266 0.00 . . . . . . A 16 LYS HA . 30594 1
115 . 1 . 1 16 16 LYS HB2 H 1 1.818 0.00 . . . . . . A 16 LYS HB2 . 30594 1
116 . 1 . 1 16 16 LYS HB3 H 1 1.713 0.00 . . . . . . A 16 LYS HB3 . 30594 1
117 . 1 . 1 16 16 LYS HG2 H 1 1.416 0.00 . . . . . . A 16 LYS HG2 . 30594 1
118 . 1 . 1 16 16 LYS HE2 H 1 3.184 0.00 . . . . . . A 16 LYS HE2 . 30594 1
119 . 1 . 1 16 16 LYS CA C 13 56.497 0.00 . . . . . . A 16 LYS CA . 30594 1
120 . 1 . 1 16 16 LYS CB C 13 33.190 0.00 . . . . . . A 16 LYS CB . 30594 1
121 . 1 . 1 16 16 LYS N N 15 123.412 0.00 . . . . . . A 16 LYS N . 30594 1
122 . 1 . 1 17 17 LYS H H 1 7.996 0.00 . . . . . . A 17 LYS H . 30594 1
123 . 1 . 1 17 17 LYS HA H 1 4.108 0.00 . . . . . . A 17 LYS HA . 30594 1
124 . 1 . 1 17 17 LYS HB2 H 1 1.784 0.00 . . . . . . A 17 LYS HB2 . 30594 1
125 . 1 . 1 17 17 LYS HB3 H 1 1.700 0.00 . . . . . . A 17 LYS HB3 . 30594 1
126 . 1 . 1 17 17 LYS HG2 H 1 1.386 0.00 . . . . . . A 17 LYS HG2 . 30594 1
127 . 1 . 1 17 17 LYS HE2 H 1 2.968 0.00 . . . . . . A 17 LYS HE2 . 30594 1
128 . 1 . 1 17 17 LYS CA C 13 57.888 0.00 . . . . . . A 17 LYS CA . 30594 1
129 . 1 . 1 17 17 LYS CB C 13 33.726 0.00 . . . . . . A 17 LYS CB . 30594 1
130 . 1 . 1 17 17 LYS N N 15 128.487 0.00 . . . . . . A 17 LYS N . 30594 1
stop_
save_