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 31094
_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-13C HSQC' . . . 31094 1
2 '2D 1H-15N HSQC' . . . 31094 1
3 '2D 1H-1H NOESY' . . . 31094 1
4 '2D 1H-1H TOCSY' . . . 31094 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 ARG H H 1 8.221 . . . . . . . A 1 ARG H1 . 31094 1
2 . 1 . 1 1 1 ARG HA H 1 4.132 . . . . . . . A 1 ARG HA . 31094 1
3 . 1 . 1 1 1 ARG HB2 H 1 1.576 . . . . . . . A 1 ARG HB2 . 31094 1
4 . 1 . 1 1 1 ARG HB3 H 1 1.576 . . . . . . . A 1 ARG HB3 . 31094 1
5 . 1 . 1 1 1 ARG CA C 13 56.150 . . . . . . . A 1 ARG CA . 31094 1
6 . 1 . 1 1 1 ARG CB C 13 29.200 . . . . . . . A 1 ARG CB . 31094 1
7 . 1 . 1 1 1 ARG N N 15 123.667 . . . . . . . A 1 ARG N . 31094 1
8 . 1 . 1 2 2 HIS H H 1 8.391 . . . . . . . A 2 HIS H . 31094 1
9 . 1 . 1 2 2 HIS HA H 1 4.444 . . . . . . . A 2 HIS HA . 31094 1
10 . 1 . 1 2 2 HIS HB2 H 1 2.900 . . . . . . . A 2 HIS HB2 . 31094 1
11 . 1 . 1 2 2 HIS HB3 H 1 2.900 . . . . . . . A 2 HIS HB3 . 31094 1
12 . 1 . 1 2 2 HIS CA C 13 54.746 . . . . . . . A 2 HIS CA . 31094 1
13 . 1 . 1 2 2 HIS CB C 13 29.388 . . . . . . . A 2 HIS CB . 31094 1
14 . 1 . 1 2 2 HIS N N 15 121.675 . . . . . . . A 2 HIS N . 31094 1
15 . 1 . 1 3 3 TYR H H 1 8.235 . . . . . . . A 3 TYR H . 31094 1
16 . 1 . 1 3 3 TYR HA H 1 4.381 . . . . . . . A 3 TYR HA . 31094 1
17 . 1 . 1 3 3 TYR HB2 H 1 2.976 . . . . . . . A 3 TYR HB2 . 31094 1
18 . 1 . 1 3 3 TYR HB3 H 1 2.976 . . . . . . . A 3 TYR HB3 . 31094 1
19 . 1 . 1 3 3 TYR CA C 13 57.584 . . . . . . . A 3 TYR CA . 31094 1
20 . 1 . 1 3 3 TYR CB C 13 38.960 . . . . . . . A 3 TYR CB . 31094 1
21 . 1 . 1 3 3 TYR N N 15 124.331 . . . . . . . A 3 TYR N . 31094 1
22 . 1 . 1 4 4 TYR H H 1 8.265 . . . . . . . A 4 TYR H . 31094 1
23 . 1 . 1 4 4 TYR HA H 1 4.518 . . . . . . . A 4 TYR HA . 31094 1
24 . 1 . 1 4 4 TYR HB2 H 1 2.994 . . . . . . . A 4 TYR HB2 . 31094 1
25 . 1 . 1 4 4 TYR HB3 H 1 2.994 . . . . . . . A 4 TYR HB3 . 31094 1
26 . 1 . 1 4 4 TYR CA C 13 57.786 . . . . . . . A 4 TYR CA . 31094 1
27 . 1 . 1 4 4 TYR CB C 13 39.609 . . . . . . . A 4 TYR CB . 31094 1
28 . 1 . 1 4 4 TYR N N 15 123.064 . . . . . . . A 4 TYR N . 31094 1
29 . 1 . 1 5 5 LYS H H 1 8.265 . . . . . . . A 5 LYS H . 31094 1
30 . 1 . 1 5 5 LYS HA H 1 4.468 . . . . . . . A 5 LYS HA . 31094 1
31 . 1 . 1 5 5 LYS HB2 H 1 2.746 . . . . . . . A 5 LYS HB2 . 31094 1
32 . 1 . 1 5 5 LYS HB3 H 1 2.746 . . . . . . . A 5 LYS HB3 . 31094 1
33 . 1 . 1 5 5 LYS CA C 13 57.542 . . . . . . . A 5 LYS CA . 31094 1
34 . 1 . 1 5 5 LYS CB C 13 39.049 . . . . . . . A 5 LYS CB . 31094 1
35 . 1 . 1 5 5 LYS N N 15 122.901 . . . . . . . A 5 LYS N . 31094 1
36 . 1 . 1 6 6 PHE H H 1 8.402 . . . . . . . A 6 PHE H . 31094 1
37 . 1 . 1 6 6 PHE HA H 1 4.647 . . . . . . . A 6 PHE HA . 31094 1
38 . 1 . 1 6 6 PHE HB2 H 1 2.748 . . . . . . . A 6 PHE HB2 . 31094 1
39 . 1 . 1 6 6 PHE HB3 H 1 2.748 . . . . . . . A 6 PHE HB3 . 31094 1
40 . 1 . 1 6 6 PHE CA C 13 52.826 . . . . . . . A 6 PHE CA . 31094 1
41 . 1 . 1 6 6 PHE CB C 13 38.858 . . . . . . . A 6 PHE CB . 31094 1
42 . 1 . 1 6 6 PHE N N 15 121.427 . . . . . . . A 6 PHE N . 31094 1
43 . 1 . 1 7 7 ASN H H 1 8.274 . . . . . . . A 7 ASN H . 31094 1
44 . 1 . 1 7 7 ASN HA H 1 4.404 . . . . . . . A 7 ASN HA . 31094 1
45 . 1 . 1 7 7 ASN HB2 H 1 2.824 . . . . . . . A 7 ASN HB2 . 31094 1
46 . 1 . 1 7 7 ASN HB3 H 1 2.824 . . . . . . . A 7 ASN HB3 . 31094 1
47 . 1 . 1 7 7 ASN CA C 13 57.781 . . . . . . . A 7 ASN CA . 31094 1
48 . 1 . 1 7 7 ASN CB C 13 38.966 . . . . . . . A 7 ASN CB . 31094 1
49 . 1 . 1 7 7 ASN N N 15 123.383 . . . . . . . A 7 ASN N . 31094 1
50 . 1 . 1 8 8 SER H H 1 8.394 . . . . . . . A 8 SER H . 31094 1
51 . 1 . 1 8 8 SER HA H 1 4.358 . . . . . . . A 8 SER HA . 31094 1
52 . 1 . 1 8 8 SER HB2 H 1 3.807 . . . . . . . A 8 SER HB2 . 31094 1
53 . 1 . 1 8 8 SER HB3 H 1 3.807 . . . . . . . A 8 SER HB3 . 31094 1
54 . 1 . 1 8 8 SER CA C 13 58.824 . . . . . . . A 8 SER CA . 31094 1
55 . 1 . 1 8 8 SER CB C 13 63.635 . . . . . . . A 8 SER CB . 31094 1
56 . 1 . 1 8 8 SER N N 15 116.933 . . . . . . . A 8 SER N . 31094 1
57 . 1 . 1 9 9 THR H H 1 8.227 . . . . . . . A 9 THR H . 31094 1
58 . 1 . 1 9 9 THR HA H 1 4.328 . . . . . . . A 9 THR HA . 31094 1
59 . 1 . 1 9 9 THR HB H 1 4.266 . . . . . . . A 9 THR HB . 31094 1
60 . 1 . 1 9 9 THR CA C 13 62.202 . . . . . . . A 9 THR CA . 31094 1
61 . 1 . 1 9 9 THR CB C 13 69.712 . . . . . . . A 9 THR CB . 31094 1
62 . 1 . 1 9 9 THR N N 15 114.888 . . . . . . . A 9 THR N . 31094 1
63 . 1 . 1 10 10 GLY H H 1 8.379 . . . . . . . A 10 GLY H . 31094 1
64 . 1 . 1 10 10 GLY HA2 H 1 3.861 . . . . . . . A 10 GLY HA2 . 31094 1
65 . 1 . 1 10 10 GLY HA3 H 1 3.861 . . . . . . . A 10 GLY HA3 . 31094 1
66 . 1 . 1 10 10 GLY CA C 13 45.238 . . . . . . . A 10 GLY CA . 31094 1
67 . 1 . 1 10 10 GLY N N 15 111.018 . . . . . . . A 10 GLY N . 31094 1
68 . 1 . 1 11 11 ARG H H 1 8.316 . . . . . . . A 11 ARG H . 31094 1
69 . 1 . 1 11 11 ARG HA H 1 4.076 . . . . . . . A 11 ARG HA . 31094 1
70 . 1 . 1 11 11 ARG HB2 H 1 1.560 . . . . . . . A 11 ARG HB2 . 31094 1
71 . 1 . 1 11 11 ARG HB3 H 1 1.560 . . . . . . . A 11 ARG HB3 . 31094 1
72 . 1 . 1 11 11 ARG CA C 13 56.177 . . . . . . . A 11 ARG CA . 31094 1
73 . 1 . 1 11 11 ARG CB C 13 30.612 . . . . . . . A 11 ARG CB . 31094 1
74 . 1 . 1 11 11 ARG N N 15 126.745 . . . . . . . A 11 ARG N . 31094 1
75 . 1 . 1 12 12 HIS H H 1 8.592 . . . . . . . A 12 HIS H . 31094 1
76 . 1 . 1 12 12 HIS HA H 1 4.628 . . . . . . . A 12 HIS HA . 31094 1
77 . 1 . 1 12 12 HIS HB2 H 1 3.107 . . . . . . . A 12 HIS HB2 . 31094 1
78 . 1 . 1 12 12 HIS HB3 H 1 3.107 . . . . . . . A 12 HIS HB3 . 31094 1
79 . 1 . 1 12 12 HIS CA C 13 54.761 . . . . . . . A 12 HIS CA . 31094 1
80 . 1 . 1 12 12 HIS CB C 13 28.981 . . . . . . . A 12 HIS CB . 31094 1
81 . 1 . 1 12 12 HIS N N 15 119.890 . . . . . . . A 12 HIS N . 31094 1
82 . 1 . 1 13 13 TYR H H 1 8.334 . . . . . . . A 13 TYR H . 31094 1
83 . 1 . 1 13 13 TYR HA H 1 4.421 . . . . . . . A 13 TYR HA . 31094 1
84 . 1 . 1 13 13 TYR HB2 H 1 2.869 . . . . . . . A 13 TYR HB2 . 31094 1
85 . 1 . 1 13 13 TYR HB3 H 1 2.869 . . . . . . . A 13 TYR HB3 . 31094 1
86 . 1 . 1 13 13 TYR CA C 13 58.030 . . . . . . . A 13 TYR CA . 31094 1
87 . 1 . 1 13 13 TYR CB C 13 39.038 . . . . . . . A 13 TYR CB . 31094 1
88 . 1 . 1 13 13 TYR N N 15 122.164 . . . . . . . A 13 TYR N . 31094 1
89 . 1 . 1 14 14 HIS H H 1 8.584 . . . . . . . A 14 HIS H . 31094 1
90 . 1 . 1 14 14 HIS HA H 1 4.582 . . . . . . . A 14 HIS HA . 31094 1
91 . 1 . 1 14 14 HIS HB2 H 1 2.948 . . . . . . . A 14 HIS HB2 . 31094 1
92 . 1 . 1 14 14 HIS HB3 H 1 2.948 . . . . . . . A 14 HIS HB3 . 31094 1
93 . 1 . 1 14 14 HIS CA C 13 54.686 . . . . . . . A 14 HIS CA . 31094 1
94 . 1 . 1 14 14 HIS CB C 13 29.216 . . . . . . . A 14 HIS CB . 31094 1
95 . 1 . 1 14 14 HIS N N 15 120.091 . . . . . . . A 14 HIS N . 31094 1
96 . 1 . 1 15 15 TYR H H 1 8.339 . . . . . . . A 15 TYR H . 31094 1
97 . 1 . 1 15 15 TYR HA H 1 4.477 . . . . . . . A 15 TYR HA . 31094 1
98 . 1 . 1 15 15 TYR HB2 H 1 2.871 . . . . . . . A 15 TYR HB2 . 31094 1
99 . 1 . 1 15 15 TYR HB3 H 1 2.871 . . . . . . . A 15 TYR HB3 . 31094 1
100 . 1 . 1 15 15 TYR CA C 13 57.624 . . . . . . . A 15 TYR CA . 31094 1
101 . 1 . 1 15 15 TYR CB C 13 39.029 . . . . . . . A 15 TYR CB . 31094 1
102 . 1 . 1 15 15 TYR N N 15 122.386 . . . . . . . A 15 TYR N . 31094 1
103 . 1 . 1 16 16 TYR H H 1 8.265 . . . . . . . A 16 TYR H . 31094 1
104 . 1 . 1 16 16 TYR HA H 1 4.491 . . . . . . . A 16 TYR HA . 31094 1
105 . 1 . 1 16 16 TYR HB2 H 1 2.744 . . . . . . . A 16 TYR HB2 . 31094 1
106 . 1 . 1 16 16 TYR HB3 H 1 2.744 . . . . . . . A 16 TYR HB3 . 31094 1
107 . 1 . 1 16 16 TYR CA C 13 57.710 . . . . . . . A 16 TYR CA . 31094 1
108 . 1 . 1 16 16 TYR CB C 13 39.051 . . . . . . . A 16 TYR CB . 31094 1
109 . 1 . 1 16 16 TYR N N 15 121.912 . . . . . . . A 16 TYR N . 31094 1
stop_
save_