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 51609
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name u(P3-7)3
_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 '3D HNCO' . . . 51609 1
2 '3D HN(CA)CO' . . . 51609 1
3 '3D HN(CO)CA' . . . 51609 1
4 '3D HNCA' . . . 51609 1
5 '3D HN(CO)CACB' . . . 51609 1
6 '2D CACO' . . . 51609 1
7 '2D CON' . . . 51609 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 . . 51609 1
2 $software_2 . . 51609 1
3 $software_3 . . 51609 1
4 $software_4 . . 51609 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 LYS C C 13 176.790 0.000 . 1 . . . . . 2 LYS C . 51609 1
2 . 1 . 1 2 2 LYS CA C 13 56.527 0.000 . 1 . . . . . 2 LYS CA . 51609 1
3 . 1 . 1 2 2 LYS CB C 13 32.988 0.000 . 1 . . . . . 2 LYS CB . 51609 1
4 . 1 . 1 3 3 LEU H H 1 8.646 0.001 . 1 . . . . . 3 LEU H . 51609 1
5 . 1 . 1 3 3 LEU C C 13 177.619 0.000 . 1 . . . . . 3 LEU C . 51609 1
6 . 1 . 1 3 3 LEU CA C 13 55.686 0.000 . 1 . . . . . 3 LEU CA . 51609 1
7 . 1 . 1 3 3 LEU CB C 13 42.267 0.000 . 1 . . . . . 3 LEU CB . 51609 1
8 . 1 . 1 3 3 LEU N N 15 124.743 0.018 . 1 . . . . . 3 LEU N . 51609 1
9 . 1 . 1 4 4 ALA H H 1 8.541 0.002 . 1 . . . . . 4 ALA H . 51609 1
10 . 1 . 1 4 4 ALA C C 13 178.755 0.000 . 1 . . . . . 4 ALA C . 51609 1
11 . 1 . 1 4 4 ALA CA C 13 53.366 0.000 . 1 . . . . . 4 ALA CA . 51609 1
12 . 1 . 1 4 4 ALA CB C 13 18.682 0.000 . 1 . . . . . 4 ALA CB . 51609 1
13 . 1 . 1 4 4 ALA N N 15 124.939 0.004 . 1 . . . . . 4 ALA N . 51609 1
14 . 1 . 1 5 5 ALA H H 1 8.391 0.002 . 1 . . . . . 5 ALA H . 51609 1
15 . 1 . 1 5 5 ALA C C 13 179.654 0.000 . 1 . . . . . 5 ALA C . 51609 1
16 . 1 . 1 5 5 ALA CA C 13 54.097 0.000 . 1 . . . . . 5 ALA CA . 51609 1
17 . 1 . 1 5 5 ALA CB C 13 18.484 0.000 . 1 . . . . . 5 ALA CB . 51609 1
18 . 1 . 1 5 5 ALA N N 15 122.603 0.008 . 1 . . . . . 5 ALA N . 51609 1
19 . 1 . 1 6 6 LEU H H 1 8.243 0.002 . 1 . . . . . 6 LEU H . 51609 1
20 . 1 . 1 6 6 LEU C C 13 178.801 0.000 . 1 . . . . . 6 LEU C . 51609 1
21 . 1 . 1 6 6 LEU CA C 13 57.055 0.000 . 1 . . . . . 6 LEU CA . 51609 1
22 . 1 . 1 6 6 LEU CB C 13 41.680 0.000 . 1 . . . . . 6 LEU CB . 51609 1
23 . 1 . 1 6 6 LEU N N 15 120.755 0.004 . 1 . . . . . 6 LEU N . 51609 1
24 . 1 . 1 7 7 GLN H H 1 8.234 0.002 . 1 . . . . . 7 GLN H . 51609 1
25 . 1 . 1 7 7 GLN C C 13 178.351 0.000 . 1 . . . . . 7 GLN C . 51609 1
26 . 1 . 1 7 7 GLN CA C 13 58.293 0.000 . 1 . . . . . 7 GLN CA . 51609 1
27 . 1 . 1 7 7 GLN CB C 13 28.505 0.000 . 1 . . . . . 7 GLN CB . 51609 1
28 . 1 . 1 7 7 GLN N N 15 119.641 0.003 . 1 . . . . . 7 GLN N . 51609 1
29 . 1 . 1 8 8 ALA H H 1 8.318 0.001 . 1 . . . . . 8 ALA H . 51609 1
30 . 1 . 1 8 8 ALA C C 13 180.049 0.000 . 1 . . . . . 8 ALA C . 51609 1
31 . 1 . 1 8 8 ALA CA C 13 54.567 0.000 . 1 . . . . . 8 ALA CA . 51609 1
32 . 1 . 1 8 8 ALA CB C 13 18.021 0.000 . 1 . . . . . 8 ALA CB . 51609 1
33 . 1 . 1 8 8 ALA N N 15 123.480 0.006 . 1 . . . . . 8 ALA N . 51609 1
34 . 1 . 1 9 9 LEU H H 1 8.054 0.001 . 1 . . . . . 9 LEU H . 51609 1
35 . 1 . 1 9 9 LEU C C 13 179.096 0.000 . 1 . . . . . 9 LEU C . 51609 1
36 . 1 . 1 9 9 LEU CA C 13 57.585 0.000 . 1 . . . . . 9 LEU CA . 51609 1
37 . 1 . 1 9 9 LEU CB C 13 41.644 0.000 . 1 . . . . . 9 LEU CB . 51609 1
38 . 1 . 1 9 9 LEU N N 15 121.280 0.003 . 1 . . . . . 9 LEU N . 51609 1
39 . 1 . 1 10 10 GLN H H 1 8.339 0.001 . 1 . . . . . 10 GLN H . 51609 1
40 . 1 . 1 10 10 GLN C C 13 178.889 0.000 . 1 . . . . . 10 GLN C . 51609 1
41 . 1 . 1 10 10 GLN CA C 13 58.583 0.000 . 1 . . . . . 10 GLN CA . 51609 1
42 . 1 . 1 10 10 GLN CB C 13 28.049 0.000 . 1 . . . . . 10 GLN CB . 51609 1
43 . 1 . 1 10 10 GLN N N 15 119.259 0.002 . 1 . . . . . 10 GLN N . 51609 1
44 . 1 . 1 11 11 ALA H H 1 8.171 0.001 . 1 . . . . . 11 ALA H . 51609 1
45 . 1 . 1 11 11 ALA C C 13 180.286 0.000 . 1 . . . . . 11 ALA C . 51609 1
46 . 1 . 1 11 11 ALA CA C 13 54.716 0.000 . 1 . . . . . 11 ALA CA . 51609 1
47 . 1 . 1 11 11 ALA CB C 13 17.861 0.000 . 1 . . . . . 11 ALA CB . 51609 1
48 . 1 . 1 11 11 ALA N N 15 123.051 0.003 . 1 . . . . . 11 ALA N . 51609 1
49 . 1 . 1 12 12 LEU H H 1 7.987 0.002 . 1 . . . . . 12 LEU H . 51609 1
50 . 1 . 1 12 12 LEU C C 13 179.293 0.000 . 1 . . . . . 12 LEU C . 51609 1
51 . 1 . 1 12 12 LEU CA C 13 57.739 0.000 . 1 . . . . . 12 LEU CA . 51609 1
52 . 1 . 1 12 12 LEU CB C 13 41.771 0.000 . 1 . . . . . 12 LEU CB . 51609 1
53 . 1 . 1 12 12 LEU N N 15 121.511 0.006 . 1 . . . . . 12 LEU N . 51609 1
54 . 1 . 1 13 13 GLN H H 1 8.447 0.007 . 1 . . . . . 13 GLN H . 51609 1
55 . 1 . 1 13 13 GLN C C 13 179.079 0.000 . 1 . . . . . 13 GLN C . 51609 1
56 . 1 . 1 13 13 GLN CA C 13 58.626 0.000 . 1 . . . . . 13 GLN CA . 51609 1
57 . 1 . 1 13 13 GLN CB C 13 28.071 0.000 . 1 . . . . . 13 GLN CB . 51609 1
58 . 1 . 1 13 13 GLN N N 15 119.214 0.007 . 1 . . . . . 13 GLN N . 51609 1
59 . 1 . 1 14 14 ALA H H 1 8.157 0.004 . 1 . . . . . 14 ALA H . 51609 1
60 . 1 . 1 14 14 ALA C C 13 180.303 0.000 . 1 . . . . . 14 ALA C . 51609 1
61 . 1 . 1 14 14 ALA CA C 13 54.779 0.000 . 1 . . . . . 14 ALA CA . 51609 1
62 . 1 . 1 14 14 ALA CB C 13 17.845 0.000 . 1 . . . . . 14 ALA CB . 51609 1
63 . 1 . 1 14 14 ALA N N 15 122.993 0.013 . 1 . . . . . 14 ALA N . 51609 1
64 . 1 . 1 15 15 LEU H H 1 7.936 0.001 . 1 . . . . . 15 LEU H . 51609 1
65 . 1 . 1 15 15 LEU C C 13 179.450 0.000 . 1 . . . . . 15 LEU C . 51609 1
66 . 1 . 1 15 15 LEU CA C 13 57.726 0.000 . 1 . . . . . 15 LEU CA . 51609 1
67 . 1 . 1 15 15 LEU CB C 13 41.771 0.000 . 1 . . . . . 15 LEU CB . 51609 1
68 . 1 . 1 15 15 LEU N N 15 121.309 0.005 . 1 . . . . . 15 LEU N . 51609 1
69 . 1 . 1 16 16 GLN H H 1 8.453 0.003 . 1 . . . . . 16 GLN H . 51609 1
70 . 1 . 1 16 16 GLN C C 13 178.935 0.000 . 1 . . . . . 16 GLN C . 51609 1
71 . 1 . 1 16 16 GLN CA C 13 58.528 0.000 . 1 . . . . . 16 GLN CA . 51609 1
72 . 1 . 1 16 16 GLN CB C 13 27.990 0.000 . 1 . . . . . 16 GLN CB . 51609 1
73 . 1 . 1 16 16 GLN N N 15 119.224 0.008 . 1 . . . . . 16 GLN N . 51609 1
74 . 1 . 1 17 17 ALA H H 1 8.123 0.002 . 1 . . . . . 17 ALA H . 51609 1
75 . 1 . 1 17 17 ALA C C 13 180.334 0.000 . 1 . . . . . 17 ALA C . 51609 1
76 . 1 . 1 17 17 ALA CA C 13 54.632 0.000 . 1 . . . . . 17 ALA CA . 51609 1
77 . 1 . 1 17 17 ALA CB C 13 17.890 0.000 . 1 . . . . . 17 ALA CB . 51609 1
78 . 1 . 1 17 17 ALA N N 15 122.782 0.003 . 1 . . . . . 17 ALA N . 51609 1
79 . 1 . 1 18 18 LEU H H 1 7.924 0.001 . 1 . . . . . 18 LEU H . 51609 1
80 . 1 . 1 18 18 LEU C C 13 179.381 0.000 . 1 . . . . . 18 LEU C . 51609 1
81 . 1 . 1 18 18 LEU CA C 13 57.538 0.000 . 1 . . . . . 18 LEU CA . 51609 1
82 . 1 . 1 18 18 LEU CB C 13 41.959 0.000 . 1 . . . . . 18 LEU CB . 51609 1
83 . 1 . 1 18 18 LEU N N 15 121.402 0.010 . 1 . . . . . 18 LEU N . 51609 1
84 . 1 . 1 19 19 GLN H H 1 8.329 0.001 . 1 . . . . . 19 GLN H . 51609 1
85 . 1 . 1 19 19 GLN C C 13 178.628 0.000 . 1 . . . . . 19 GLN C . 51609 1
86 . 1 . 1 19 19 GLN CA C 13 58.166 0.000 . 1 . . . . . 19 GLN CA . 51609 1
87 . 1 . 1 19 19 GLN CB C 13 28.191 0.000 . 1 . . . . . 19 GLN CB . 51609 1
88 . 1 . 1 19 19 GLN N N 15 119.101 0.006 . 1 . . . . . 19 GLN N . 51609 1
89 . 1 . 1 20 20 ALA H H 1 8.209 0.001 . 1 . . . . . 20 ALA H . 51609 1
90 . 1 . 1 20 20 ALA C C 13 179.588 0.000 . 1 . . . . . 20 ALA C . 51609 1
91 . 1 . 1 20 20 ALA CA C 13 54.225 0.000 . 1 . . . . . 20 ALA CA . 51609 1
92 . 1 . 1 20 20 ALA CB C 13 18.058 0.000 . 1 . . . . . 20 ALA CB . 51609 1
93 . 1 . 1 20 20 ALA N N 15 122.859 0.006 . 1 . . . . . 20 ALA N . 51609 1
94 . 1 . 1 21 21 ALA H H 1 7.972 0.002 . 1 . . . . . 21 ALA H . 51609 1
95 . 1 . 1 21 21 ALA C C 13 179.665 0.000 . 1 . . . . . 21 ALA C . 51609 1
96 . 1 . 1 21 21 ALA CA C 13 54.013 0.000 . 1 . . . . . 21 ALA CA . 51609 1
97 . 1 . 1 21 21 ALA CB C 13 18.322 0.000 . 1 . . . . . 21 ALA CB . 51609 1
98 . 1 . 1 21 21 ALA N N 15 121.570 0.008 . 1 . . . . . 21 ALA N . 51609 1
99 . 1 . 1 22 22 GLN H H 1 8.108 0.001 . 1 . . . . . 22 GLN H . 51609 1
100 . 1 . 1 22 22 GLN C C 13 177.241 0.000 . 1 . . . . . 22 GLN C . 51609 1
101 . 1 . 1 22 22 GLN CA C 13 57.051 0.000 . 1 . . . . . 22 GLN CA . 51609 1
102 . 1 . 1 22 22 GLN CB C 13 28.684 0.000 . 1 . . . . . 22 GLN CB . 51609 1
103 . 1 . 1 22 22 GLN N N 15 117.893 0.005 . 1 . . . . . 22 GLN N . 51609 1
104 . 1 . 1 23 23 ALA H H 1 7.998 0.001 . 1 . . . . . 23 ALA H . 51609 1
105 . 1 . 1 23 23 ALA C C 13 178.005 0.000 . 1 . . . . . 23 ALA C . 51609 1
106 . 1 . 1 23 23 ALA CA C 13 53.170 0.000 . 1 . . . . . 23 ALA CA . 51609 1
107 . 1 . 1 23 23 ALA CB C 13 18.689 0.000 . 1 . . . . . 23 ALA CB . 51609 1
108 . 1 . 1 23 23 ALA N N 15 122.917 0.004 . 1 . . . . . 23 ALA N . 51609 1
109 . 1 . 1 24 24 ALA H H 1 7.877 0.001 . 1 . . . . . 24 ALA H . 51609 1
110 . 1 . 1 24 24 ALA C C 13 177.743 0.000 . 1 . . . . . 24 ALA C . 51609 1
111 . 1 . 1 24 24 ALA CA C 13 52.547 0.000 . 1 . . . . . 24 ALA CA . 51609 1
112 . 1 . 1 24 24 ALA CB C 13 18.908 0.000 . 1 . . . . . 24 ALA CB . 51609 1
113 . 1 . 1 24 24 ALA N N 15 121.363 0.005 . 1 . . . . . 24 ALA N . 51609 1
114 . 1 . 1 25 25 LYS H H 1 7.973 0.002 . 1 . . . . . 25 LYS H . 51609 1
115 . 1 . 1 25 25 LYS C C 13 176.141 0.000 . 1 . . . . . 25 LYS C . 51609 1
116 . 1 . 1 25 25 LYS CA C 13 56.391 0.000 . 1 . . . . . 25 LYS CA . 51609 1
117 . 1 . 1 25 25 LYS CB C 13 32.826 0.000 . 1 . . . . . 25 LYS CB . 51609 1
118 . 1 . 1 25 25 LYS N N 15 120.329 0.005 . 1 . . . . . 25 LYS N . 51609 1
119 . 1 . 1 26 26 LYS H H 1 8.280 0.001 . 1 . . . . . 26 LYS H . 51609 1
120 . 1 . 1 26 26 LYS C C 13 175.229 0.000 . 1 . . . . . 26 LYS C . 51609 1
121 . 1 . 1 26 26 LYS CA C 13 56.030 0.000 . 1 . . . . . 26 LYS CA . 51609 1
122 . 1 . 1 26 26 LYS CB C 13 33.100 0.000 . 1 . . . . . 26 LYS CB . 51609 1
123 . 1 . 1 26 26 LYS N N 15 123.227 0.007 . 1 . . . . . 26 LYS N . 51609 1
124 . 1 . 1 27 27 TYR H H 1 7.839 0.001 . 1 . . . . . 27 TYR H . 51609 1
125 . 1 . 1 27 27 TYR C C 13 180.493 0.000 . 1 . . . . . 27 TYR C . 51609 1
126 . 1 . 1 27 27 TYR CA C 13 59.163 0.000 . 1 . . . . . 27 TYR CA . 51609 1
127 . 1 . 1 27 27 TYR N N 15 126.192 0.006 . 1 . . . . . 27 TYR N . 51609 1
stop_
save_