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 50782
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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
2 '3D HNCA' . . . 50782 1
3 '3D HNCACB' . . . 50782 1
4 '3D CBCA(CO)NH' . . . 50782 1
5 '3D HN(CO)CA' . . . 50782 1
6 '2D 1H-15N HSQC' . . . 50782 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 50782 1
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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 3 3 MET H H 1 8.257 0.020 . 1 . . . . . 1 MET H . 50782 1
2 . 1 . 1 3 3 MET CA C 13 54.985 0.3 . 1 . . . . . 1 MET CA . 50782 1
3 . 1 . 1 3 3 MET CB C 13 33.134 0.3 . 1 . . . . . 1 MET CB . 50782 1
4 . 1 . 1 3 3 MET N N 15 122.365 0.3 . 1 . . . . . 1 MET N . 50782 1
5 . 1 . 1 4 4 LYS H H 1 8.162 0.020 . 1 . . . . . 2 LYS H . 50782 1
6 . 1 . 1 4 4 LYS CA C 13 62.378 0.3 . 1 . . . . . 2 LYS CA . 50782 1
7 . 1 . 1 4 4 LYS CB C 13 32.723 0.3 . 1 . . . . . 2 LYS CB . 50782 1
8 . 1 . 1 4 4 LYS N N 15 121.683 0.3 . 1 . . . . . 2 LYS N . 50782 1
9 . 1 . 1 5 5 CYS H H 1 8.324 0.020 . 1 . . . . . 3 CYS H . 50782 1
10 . 1 . 1 5 5 CYS CA C 13 58.400 0.3 . 1 . . . . . 3 CYS CA . 50782 1
11 . 1 . 1 5 5 CYS CB C 13 27.988 0.3 . 1 . . . . . 3 CYS CB . 50782 1
12 . 1 . 1 5 5 CYS N N 15 123.076 0.3 . 1 . . . . . 3 CYS N . 50782 1
13 . 1 . 1 11 11 GLY H H 1 8.408 0.020 . 1 . . . . . 9 GLY H . 50782 1
14 . 1 . 1 11 11 GLY CA C 13 45.237 0.3 . 1 . . . . . 9 GLY CA . 50782 1
15 . 1 . 1 11 11 GLY N N 15 110.269 0.3 . 1 . . . . . 9 GLY N . 50782 1
16 . 1 . 1 12 12 GLU H H 1 8.176 0.020 . 1 . . . . . 10 GLU H . 50782 1
17 . 1 . 1 12 12 GLU CA C 13 56.342 0.3 . 1 . . . . . 10 GLU CA . 50782 1
18 . 1 . 1 12 12 GLU CB C 13 30.150 0.3 . 1 . . . . . 10 GLU CB . 50782 1
19 . 1 . 1 12 12 GLU N N 15 120.350 0.3 . 1 . . . . . 10 GLU N . 50782 1
20 . 1 . 1 13 13 MET H H 1 8.362 0.020 . 1 . . . . . 11 MET H . 50782 1
21 . 1 . 1 13 13 MET CA C 13 55.776 0.3 . 1 . . . . . 11 MET CA . 50782 1
22 . 1 . 1 13 13 MET CB C 13 32.517 0.3 . 1 . . . . . 11 MET CB . 50782 1
23 . 1 . 1 13 13 MET N N 15 121.509 0.3 . 1 . . . . . 11 MET N . 50782 1
24 . 1 . 1 14 14 VAL H H 1 8.085 0.020 . 1 . . . . . 12 VAL H . 50782 1
25 . 1 . 1 14 14 VAL CA C 13 62.311 0.3 . 1 . . . . . 12 VAL CA . 50782 1
26 . 1 . 1 14 14 VAL CB C 13 32.362 0.3 . 1 . . . . . 12 VAL CB . 50782 1
27 . 1 . 1 14 14 VAL N N 15 121.388 0.3 . 1 . . . . . 12 VAL N . 50782 1
28 . 1 . 1 15 15 SER H H 1 8.325 0.020 . 1 . . . . . 13 SER H . 50782 1
29 . 1 . 1 15 15 SER CA C 13 58.503 0.3 . 1 . . . . . 13 SER CA . 50782 1
30 . 1 . 1 15 15 SER CB C 13 63.958 0.3 . 1 . . . . . 13 SER CB . 50782 1
31 . 1 . 1 15 15 SER N N 15 119.242 0.3 . 1 . . . . . 13 SER N . 50782 1
32 . 1 . 1 16 16 GLY H H 1 8.345 0.020 . 1 . . . . . 14 GLY H . 50782 1
33 . 1 . 1 16 16 GLY CA C 13 45.227 0.3 . 1 . . . . . 14 GLY CA . 50782 1
34 . 1 . 1 16 16 GLY N N 15 110.906 0.3 . 1 . . . . . 14 GLY N . 50782 1
35 . 1 . 1 17 17 ILE H H 1 7.883 0.020 . 1 . . . . . 15 ILE H . 50782 1
36 . 1 . 1 17 17 ILE CA C 13 61.385 0.3 . 1 . . . . . 15 ILE CA . 50782 1
37 . 1 . 1 17 17 ILE CB C 13 38.435 0.3 . 1 . . . . . 15 ILE CB . 50782 1
38 . 1 . 1 17 17 ILE N N 15 120.008 0.3 . 1 . . . . . 15 ILE N . 50782 1
39 . 1 . 1 18 18 LYS H H 1 8.278 0.020 . 1 . . . . . 16 LYS H . 50782 1
40 . 1 . 1 18 18 LYS CA C 13 56.085 0.3 . 1 . . . . . 16 LYS CA . 50782 1
41 . 1 . 1 18 18 LYS CB C 13 32.826 0.3 . 1 . . . . . 16 LYS CB . 50782 1
42 . 1 . 1 18 18 LYS N N 15 124.850 0.3 . 1 . . . . . 16 LYS N . 50782 1
43 . 1 . 1 19 19 ASP H H 1 8.141 0.020 . 1 . . . . . 17 ASP H . 50782 1
44 . 1 . 1 19 19 ASP CA C 13 54.284 0.3 . 1 . . . . . 17 ASP CA . 50782 1
45 . 1 . 1 19 19 ASP CB C 13 40.956 0.3 . 1 . . . . . 17 ASP CB . 50782 1
46 . 1 . 1 19 19 ASP N N 15 121.141 0.3 . 1 . . . . . 17 ASP N . 50782 1
47 . 1 . 1 20 20 ILE H H 1 7.956 0.020 . 1 . . . . . 18 ILE H . 50782 1
48 . 1 . 1 20 20 ILE CA C 13 58.812 0.3 . 1 . . . . . 18 ILE CA . 50782 1
49 . 1 . 1 20 20 ILE CB C 13 38.435 0.3 . 1 . . . . . 18 ILE CB . 50782 1
50 . 1 . 1 20 20 ILE N N 15 122.398 0.3 . 1 . . . . . 18 ILE N . 50782 1
51 . 1 . 1 22 22 TYR H H 1 8.167 0.020 . 1 . . . . . 20 TYR H . 50782 1
52 . 1 . 1 22 22 TYR CA C 13 58.606 0.3 . 1 . . . . . 20 TYR CA . 50782 1
53 . 1 . 1 22 22 TYR CB C 13 38.537 0.3 . 1 . . . . . 20 TYR CB . 50782 1
54 . 1 . 1 22 22 TYR N N 15 120.702 0.3 . 1 . . . . . 20 TYR N . 50782 1
55 . 1 . 1 23 23 THR H H 1 7.754 0.020 . 1 . . . . . 21 THR H . 50782 1
56 . 1 . 1 23 23 THR CA C 13 61.688 0.3 . 1 . . . . . 21 THR CA . 50782 1
57 . 1 . 1 23 23 THR CB C 13 69.824 0.3 . 1 . . . . . 21 THR CB . 50782 1
58 . 1 . 1 23 23 THR N N 15 115.303 0.3 . 1 . . . . . 21 THR N . 50782 1
59 . 1 . 1 24 24 PHE H H 1 8.063 0.020 . 1 . . . . . 22 PHE H . 50782 1
60 . 1 . 1 24 24 PHE CA C 13 57.783 0.3 . 1 . . . . . 22 PHE CA . 50782 1
61 . 1 . 1 24 24 PHE CB C 13 39.309 0.3 . 1 . . . . . 22 PHE CB . 50782 1
62 . 1 . 1 24 24 PHE N N 15 122.558 0.3 . 1 . . . . . 22 PHE N . 50782 1
63 . 1 . 1 25 25 ARG H H 1 8.107 0.020 . 1 . . . . . 23 ARG H . 50782 1
64 . 1 . 1 25 25 ARG CA C 13 56.194 0.3 . 1 . . . . . 23 ARG CA . 50782 1
65 . 1 . 1 25 25 ARG CB C 13 30.304 0.3 . 1 . . . . . 23 ARG CB . 50782 1
66 . 1 . 1 25 25 ARG N N 15 123.425 0.3 . 1 . . . . . 23 ARG N . 50782 1
67 . 1 . 1 26 26 GLY H H 1 7.782 0.020 . 1 . . . . . 24 GLY H . 50782 1
68 . 1 . 1 26 26 GLY CA C 13 45.124 0.3 . 1 . . . . . 24 GLY CA . 50782 1
69 . 1 . 1 26 26 GLY N N 15 108.974 0.3 . 1 . . . . . 24 GLY N . 50782 1
70 . 1 . 1 27 27 ARG H H 1 8.052 0.020 . 1 . . . . . 25 ARG H . 50782 1
71 . 1 . 1 27 27 ARG CA C 13 55.966 0.3 . 1 . . . . . 25 ARG CA . 50782 1
72 . 1 . 1 27 27 ARG CB C 13 30.819 0.3 . 1 . . . . . 25 ARG CB . 50782 1
73 . 1 . 1 27 27 ARG N N 15 120.465 0.3 . 1 . . . . . 25 ARG N . 50782 1
74 . 1 . 1 28 28 LYS H H 1 8.383 0.020 . 1 . . . . . 26 LYS H . 50782 1
75 . 1 . 1 28 28 LYS CA C 13 56.242 0.3 . 1 . . . . . 26 LYS CA . 50782 1
76 . 1 . 1 28 28 LYS CB C 13 32.826 0.3 . 1 . . . . . 26 LYS CB . 50782 1
77 . 1 . 1 28 28 LYS N N 15 122.998 0.3 . 1 . . . . . 26 LYS N . 50782 1
78 . 1 . 1 29 29 THR H H 1 8.127 0.020 . 1 . . . . . 27 THR H . 50782 1
79 . 1 . 1 29 29 THR CA C 13 61.900 0.3 . 1 . . . . . 27 THR CA . 50782 1
80 . 1 . 1 29 29 THR CB C 13 69.876 0.3 . 1 . . . . . 27 THR CB . 50782 1
81 . 1 . 1 29 29 THR N N 15 116.936 0.3 . 1 . . . . . 27 THR N . 50782 1
82 . 1 . 1 30 30 VAL H H 1 8.145 0.020 . 1 . . . . . 28 VAL H . 50782 1
83 . 1 . 1 30 30 VAL CA C 13 62.115 0.3 . 1 . . . . . 28 VAL CA . 50782 1
84 . 1 . 1 30 30 VAL CB C 13 32.620 0.3 . 1 . . . . . 28 VAL CB . 50782 1
85 . 1 . 1 30 30 VAL N N 15 123.393 0.3 . 1 . . . . . 28 VAL N . 50782 1
86 . 1 . 1 31 31 LEU H H 1 8.269 0.020 . 1 . . . . . 29 LEU H . 50782 1
87 . 1 . 1 31 31 LEU CA C 13 54.747 0.3 . 1 . . . . . 29 LEU CA . 50782 1
88 . 1 . 1 31 31 LEU CB C 13 42.191 0.3 . 1 . . . . . 29 LEU CB . 50782 1
89 . 1 . 1 31 31 LEU N N 15 126.627 0.3 . 1 . . . . . 29 LEU N . 50782 1
90 . 1 . 1 32 32 LYS H H 1 8.241 0.020 . 1 . . . . . 30 LYS H . 50782 1
91 . 1 . 1 32 32 LYS CA C 13 55.879 0.3 . 1 . . . . . 30 LYS CA . 50782 1
92 . 1 . 1 32 32 LYS CB C 13 32.877 0.3 . 1 . . . . . 30 LYS CB . 50782 1
93 . 1 . 1 32 32 LYS N N 15 122.597 0.3 . 1 . . . . . 30 LYS N . 50782 1
94 . 1 . 1 33 33 GLY H H 1 8.307 0.020 . 1 . . . . . 31 GLY H . 50782 1
95 . 1 . 1 33 33 GLY CA C 13 44.970 0.3 . 1 . . . . . 31 GLY CA . 50782 1
96 . 1 . 1 33 33 GLY N N 15 110.174 0.3 . 1 . . . . . 31 GLY N . 50782 1
97 . 1 . 1 34 34 ILE H H 1 7.900 0.020 . 1 . . . . . 32 ILE H . 50782 1
98 . 1 . 1 34 34 ILE CA C 13 61.488 0.3 . 1 . . . . . 32 ILE CA . 50782 1
99 . 1 . 1 34 34 ILE CB C 13 38.332 0.3 . 1 . . . . . 32 ILE CB . 50782 1
100 . 1 . 1 34 34 ILE N N 15 119.302 0.3 . 1 . . . . . 32 ILE N . 50782 1
101 . 1 . 1 35 35 HIS H H 1 8.306 0.020 . 1 . . . . . 33 HIS H . 50782 1
102 . 1 . 1 35 35 HIS CA C 13 55.725 0.3 . 1 . . . . . 33 HIS CA . 50782 1
103 . 1 . 1 35 35 HIS CB C 13 29.892 0.3 . 1 . . . . . 33 HIS CB . 50782 1
104 . 1 . 1 35 35 HIS N N 15 122.009 0.3 . 1 . . . . . 33 HIS N . 50782 1
105 . 1 . 1 36 36 GLY H H 1 7.935 0.020 . 1 . . . . . 34 GLY H . 50782 1
106 . 1 . 1 36 36 GLY CA C 13 46.050 0.3 . 1 . . . . . 34 GLY CA . 50782 1
107 . 1 . 1 36 36 GLY N N 15 116.211 0.3 . 1 . . . . . 34 GLY N . 50782 1
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save_