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 51867
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Chain A'
_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 DARR' . . . 51867 1
2 '3D NCACX' . . . 51867 1
3 '3D NCOCX' . . . 51867 1
4 '3D CONCA' . . . 51867 1
5 '3D NCACB' . . . 51867 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
1 $software_1 . . 51867 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 GLY C C 13 169.264 . . . . . . . . 1 G C . 51867 1
2 . 1 . 1 1 1 GLY CA C 13 43.595 . . . . . . . . 1 G CA . 51867 1
3 . 1 . 1 1 1 GLY N N 15 106.821 . . . . . . . . 1 G N . 51867 1
4 . 1 . 1 2 2 ILE C C 13 174.508 . . . . . . . . 2 I C . 51867 1
5 . 1 . 1 2 2 ILE CA C 13 60.024 . . . . . . . . 2 I CA . 51867 1
6 . 1 . 1 2 2 ILE CB C 13 41.480 . . . . . . . . 2 I CB . 51867 1
7 . 1 . 1 2 2 ILE CG1 C 13 28.264 . . . . . . . . 2 I CG1 . 51867 1
8 . 1 . 1 2 2 ILE CG2 C 13 16.958 . . . . . . . . 2 I CG2 . 51867 1
9 . 1 . 1 2 2 ILE CD1 C 13 14.338 . . . . . . . . 2 I CD1 . 51867 1
10 . 1 . 1 2 2 ILE N N 15 118.949 . . . . . . . . 2 I N . 51867 1
11 . 1 . 1 3 3 VAL C C 13 174.025 . . . . . . . . 3 V C . 51867 1
12 . 1 . 1 3 3 VAL CA C 13 60.997 . . . . . . . . 3 V CA . 51867 1
13 . 1 . 1 3 3 VAL CB C 13 34.967 . . . . . . . . 3 V CB . 51867 1
14 . 1 . 1 3 3 VAL CG1 C 13 20.383 . . . . . . . . 3 V CG1 . 51867 1
15 . 1 . 1 3 3 VAL N N 15 127.751 . . . . . . . . 3 V N . 51867 1
16 . 1 . 1 4 4 GLU C C 13 174.140 . . . . . . . . 4 E C . 51867 1
17 . 1 . 1 4 4 GLU CA C 13 53.838 . . . . . . . . 4 E CA . 51867 1
18 . 1 . 1 4 4 GLU CB C 13 29.470 . . . . . . . . 4 E CB . 51867 1
19 . 1 . 1 4 4 GLU CG C 13 34.957 . . . . . . . . 4 E CG . 51867 1
20 . 1 . 1 4 4 GLU N N 15 124.717 . . . . . . . . 4 E N . 51867 1
21 . 1 . 1 5 5 GLN C C 13 174.309 . . . . . . . . 5 Q C . 51867 1
22 . 1 . 1 5 5 GLN CA C 13 53.887 . . . . . . . . 5 Q CA . 51867 1
23 . 1 . 1 5 5 GLN CB C 13 27.335 . . . . . . . . 5 Q CB . 51867 1
24 . 1 . 1 5 5 GLN CG C 13 33.864 . . . . . . . . 5 Q CG . 51867 1
25 . 1 . 1 5 5 GLN CD C 13 178.524 . . . . . . . . 5 Q CD . 51867 1
26 . 1 . 1 5 5 GLN N N 15 124.741 . . . . . . . . 5 Q N . 51867 1
27 . 1 . 1 6 6 CYS C C 13 170.763 . . . . . . . . 6 C C . 51867 1
28 . 1 . 1 6 6 CYS CA C 13 56.679 . . . . . . . . 6 C CA . 51867 1
29 . 1 . 1 6 6 CYS CB C 13 50.506 . . . . . . . . 6 C CB . 51867 1
30 . 1 . 1 6 6 CYS N N 15 119.055 . . . . . . . . 6 C N . 51867 1
31 . 1 . 1 7 7 CYS C C 13 174.433 . . . . . . . . 7 C C . 51867 1
32 . 1 . 1 7 7 CYS CA C 13 53.849 . . . . . . . . 7 C CA . 51867 1
33 . 1 . 1 7 7 CYS CB C 13 44.311 . . . . . . . . 7 C CB . 51867 1
34 . 1 . 1 7 7 CYS N N 15 122.581 . . . . . . . . 7 C N . 51867 1
35 . 1 . 1 8 8 THR C C 13 171.940 . . . . . . . . 8 T C . 51867 1
36 . 1 . 1 8 8 THR CA C 13 61.793 . . . . . . . . 8 T CA . 51867 1
37 . 1 . 1 8 8 THR CB C 13 66.894 . . . . . . . . 8 T CB . 51867 1
38 . 1 . 1 8 8 THR CG2 C 13 23.700 . . . . . . . . 8 T CG2 . 51867 1
39 . 1 . 1 8 8 THR N N 15 128.223 . . . . . . . . 8 T N . 51867 1
40 . 1 . 1 9 9 SER C C 13 171.236 . . . . . . . . 9 S C . 51867 1
41 . 1 . 1 9 9 SER CA C 13 57.288 . . . . . . . . 9 S CA . 51867 1
42 . 1 . 1 9 9 SER CB C 13 72.009 . . . . . . . . 9 S CB . 51867 1
43 . 1 . 1 9 9 SER N N 15 110.335 . . . . . . . . 9 S N . 51867 1
44 . 1 . 1 10 10 ILE C C 13 175.486 . . . . . . . . 10 I C . 51867 1
45 . 1 . 1 10 10 ILE CA C 13 60.995 . . . . . . . . 10 I CA . 51867 1
46 . 1 . 1 10 10 ILE CB C 13 39.700 . . . . . . . . 10 I CB . 51867 1
47 . 1 . 1 10 10 ILE CG1 C 13 27.599 . . . . . . . . 10 I CG1 . 51867 1
48 . 1 . 1 10 10 ILE CG2 C 13 17.067 . . . . . . . . 10 I CG2 . 51867 1
49 . 1 . 1 10 10 ILE CD1 C 13 12.116 . . . . . . . . 10 I CD1 . 51867 1
50 . 1 . 1 10 10 ILE N N 15 119.859 . . . . . . . . 10 I N . 51867 1
51 . 1 . 1 11 11 CYS C C 13 170.712 . . . . . . . . 11 C C . 51867 1
52 . 1 . 1 11 11 CYS CA C 13 53.861 . . . . . . . . 11 C CA . 51867 1
53 . 1 . 1 11 11 CYS CB C 13 47.676 . . . . . . . . 11 C CB . 51867 1
54 . 1 . 1 11 11 CYS N N 15 126.647 . . . . . . . . 11 C N . 51867 1
55 . 1 . 1 12 12 SER C C 13 175.112 . . . . . . . . 12 S C . 51867 1
56 . 1 . 1 12 12 SER CA C 13 54.045 . . . . . . . . 12 S CA . 51867 1
57 . 1 . 1 12 12 SER CB C 13 65.686 . . . . . . . . 12 S CB . 51867 1
58 . 1 . 1 12 12 SER N N 15 113.280 . . . . . . . . 12 S N . 51867 1
59 . 1 . 1 13 13 LEU C C 13 176.669 . . . . . . . . 13 L C . 51867 1
60 . 1 . 1 13 13 LEU CA C 13 56.832 . . . . . . . . 13 L CA . 51867 1
61 . 1 . 1 13 13 LEU CB C 13 40.787 . . . . . . . . 13 L CB . 51867 1
62 . 1 . 1 13 13 LEU CG C 13 27.112 . . . . . . . . 13 L CG . 51867 1
63 . 1 . 1 13 13 LEU CD1 C 13 24.972 . . . . . . . . 13 L CD1 . 51867 1
64 . 1 . 1 13 13 LEU CD2 C 13 22.115 . . . . . . . . 13 L CD2 . 51867 1
65 . 1 . 1 13 13 LEU N N 15 116.116 . . . . . . . . 13 L N . 51867 1
66 . 1 . 1 14 14 TYR C C 13 176.960 . . . . . . . . 14 Y C . 51867 1
67 . 1 . 1 14 14 TYR CA C 13 56.401 . . . . . . . . 14 Y CA . 51867 1
68 . 1 . 1 14 14 TYR CB C 13 40.429 . . . . . . . . 14 Y CB . 51867 1
69 . 1 . 1 14 14 TYR CD1 C 13 133.868 . . . . . . . . 14 Y CD1 . 51867 1
70 . 1 . 1 14 14 TYR N N 15 116.322 . . . . . . . . 14 Y N . 51867 1
71 . 1 . 1 15 15 GLN C C 13 175.180 . . . . . . . . 15 Q C . 51867 1
72 . 1 . 1 15 15 GLN CA C 13 53.931 . . . . . . . . 15 Q CA . 51867 1
73 . 1 . 1 15 15 GLN CB C 13 29.455 . . . . . . . . 15 Q CB . 51867 1
74 . 1 . 1 15 15 GLN CG C 13 32.857 . . . . . . . . 15 Q CG . 51867 1
75 . 1 . 1 15 15 GLN CD C 13 175.254 . . . . . . . . 15 Q CD . 51867 1
76 . 1 . 1 15 15 GLN N N 15 115.624 . . . . . . . . 15 Q N . 51867 1
77 . 1 . 1 16 16 LEU C C 13 175.128 . . . . . . . . 16 L C . 51867 1
78 . 1 . 1 16 16 LEU CA C 13 54.176 . . . . . . . . 16 L CA . 51867 1
79 . 1 . 1 16 16 LEU CB C 13 38.646 . . . . . . . . 16 L CB . 51867 1
80 . 1 . 1 16 16 LEU CG C 13 26.624 . . . . . . . . 16 L CG . 51867 1
81 . 1 . 1 16 16 LEU CD1 C 13 25.438 . . . . . . . . 16 L CD1 . 51867 1
82 . 1 . 1 16 16 LEU N N 15 115.623 . . . . . . . . 16 L N . 51867 1
83 . 1 . 1 17 17 GLU C C 13 176.678 . . . . . . . . 17 E C . 51867 1
84 . 1 . 1 17 17 GLU CA C 13 53.962 . . . . . . . . 17 E CA . 51867 1
85 . 1 . 1 17 17 GLU CB C 13 29.485 . . . . . . . . 17 E CB . 51867 1
86 . 1 . 1 17 17 GLU N N 15 115.056 . . . . . . . . 17 E N . 51867 1
87 . 1 . 1 18 18 ASN C C 13 172.918 . . . . . . . . 18 N C . 51867 1
88 . 1 . 1 18 18 ASN CA C 13 51.445 . . . . . . . . 18 N CA . 51867 1
89 . 1 . 1 18 18 ASN CB C 13 41.635 . . . . . . . . 18 N CB . 51867 1
90 . 1 . 1 18 18 ASN N N 15 122.502 . . . . . . . . 18 N N . 51867 1
91 . 1 . 1 19 19 TYR C C 13 173.078 . . . . . . . . 19 Y C . 51867 1
92 . 1 . 1 19 19 TYR CA C 13 56.001 . . . . . . . . 19 Y CA . 51867 1
93 . 1 . 1 19 19 TYR CB C 13 41.609 . . . . . . . . 19 Y CB . 51867 1
94 . 1 . 1 19 19 TYR CD1 C 13 131.448 . . . . . . . . 19 Y CD1 . 51867 1
95 . 1 . 1 19 19 TYR CE1 C 13 116.956 . . . . . . . . 19 Y CE1 . 51867 1
96 . 1 . 1 19 19 TYR N N 15 126.219 . . . . . . . . 19 Y N . 51867 1
97 . 1 . 1 20 20 CYS C C 13 175.908 . . . . . . . . 20 C C . 51867 1
98 . 1 . 1 20 20 CYS CA C 13 53.220 . . . . . . . . 20 C CA . 51867 1
99 . 1 . 1 20 20 CYS CB C 13 44.674 . . . . . . . . 20 C CB . 51867 1
100 . 1 . 1 20 20 CYS N N 15 118.016 . . . . . . . . 20 C N . 51867 1
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save_