Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51597
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name (P3-7)3_310K
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
8 '3D HNCO' . . . 51597 2
9 '3D HN(CA)CO' . . . 51597 2
10 '3D HN(CO)CA' . . . 51597 2
11 '3D HNCA' . . . 51597 2
12 '3D HN(CO)CACB' . . . 51597 2
13 '2D CON' . . . 51597 2
14 '2D CACO' . . . 51597 2
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 . . 51597 2
2 $software_2 . . 51597 2
3 $software_3 . . 51597 2
4 $software_4 . . 51597 2
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 LYS C C 13 173.143 0.000 . 1 . . . . . 1 LYS C . 51597 2
2 . 1 . 1 1 1 LYS CA C 13 55.887 0.000 . 1 . . . . . 1 LYS CA . 51597 2
3 . 1 . 1 2 2 LYS C C 13 174.459 0.000 . 1 . . . . . 2 LYS C . 51597 2
4 . 1 . 1 2 2 LYS CA C 13 54.652 0.000 . 1 . . . . . 2 LYS CA . 51597 2
5 . 1 . 1 3 3 PRO C C 13 177.484 0.014 . 1 . . . . . 3 PRO C . 51597 2
6 . 1 . 1 3 3 PRO CA C 13 63.458 0.049 . 1 . . . . . 3 PRO CA . 51597 2
7 . 1 . 1 3 3 PRO CB C 13 32.104 0.000 . 1 . . . . . 3 PRO CB . 51597 2
8 . 1 . 1 4 4 GLY H H 1 8.382 0.002 . 1 . . . . . 4 GLY H . 51597 2
9 . 1 . 1 4 4 GLY C C 13 174.050 0.019 . 1 . . . . . 4 GLY C . 51597 2
10 . 1 . 1 4 4 GLY CA C 13 45.365 0.035 . 1 . . . . . 4 GLY CA . 51597 2
11 . 1 . 1 4 4 GLY N N 15 121.196 0.018 . 1 . . . . . 4 GLY N . 51597 2
12 . 1 . 1 5 5 ALA H H 1 8.100 0.002 . 1 . . . . . 5 ALA H . 51597 2
13 . 1 . 1 5 5 ALA C C 13 178.062 0.000 . 1 . . . . . 5 ALA C . 51597 2
14 . 1 . 1 5 5 ALA CA C 13 52.857 0.000 . 1 . . . . . 5 ALA CA . 51597 2
15 . 1 . 1 5 5 ALA N N 15 123.716 0.025 . 1 . . . . . 5 ALA N . 51597 2
16 . 1 . 1 6 6 SER C C 13 175.115 0.000 . 1 . . . . . 6 SER C . 51597 2
17 . 1 . 1 6 6 SER CA C 13 58.427 0.000 . 1 . . . . . 6 SER CA . 51597 2
18 . 1 . 1 6 6 SER CB C 13 63.915 0.000 . 1 . . . . . 6 SER CB . 51597 2
19 . 1 . 1 7 7 LEU H H 1 8.261 0.001 . 1 . . . . . 7 LEU H . 51597 2
20 . 1 . 1 7 7 LEU C C 13 178.173 0.001 . 1 . . . . . 7 LEU C . 51597 2
21 . 1 . 1 7 7 LEU CA C 13 56.676 0.022 . 1 . . . . . 7 LEU CA . 51597 2
22 . 1 . 1 7 7 LEU CB C 13 42.083 0.000 . 1 . . . . . 7 LEU CB . 51597 2
23 . 1 . 1 7 7 LEU N N 15 124.366 0.023 . 1 . . . . . 7 LEU N . 51597 2
24 . 1 . 1 8 8 ALA H H 1 8.168 0.001 . 1 . . . . . 8 ALA H . 51597 2
25 . 1 . 1 8 8 ALA C C 13 179.321 0.001 . 1 . . . . . 8 ALA C . 51597 2
26 . 1 . 1 8 8 ALA CA C 13 54.078 0.000 . 1 . . . . . 8 ALA CA . 51597 2
27 . 1 . 1 8 8 ALA CB C 13 18.642 0.000 . 1 . . . . . 8 ALA CB . 51597 2
28 . 1 . 1 8 8 ALA N N 15 122.824 0.020 . 1 . . . . . 8 ALA N . 51597 2
29 . 1 . 1 9 9 ALA H H 1 7.997 0.001 . 1 . . . . . 9 ALA H . 51597 2
30 . 1 . 1 9 9 ALA C C 13 179.540 0.001 . 1 . . . . . 9 ALA C . 51597 2
31 . 1 . 1 9 9 ALA CA C 13 54.235 0.048 . 1 . . . . . 9 ALA CA . 51597 2
32 . 1 . 1 9 9 ALA CB C 13 18.427 0.000 . 1 . . . . . 9 ALA CB . 51597 2
33 . 1 . 1 9 9 ALA N N 15 121.919 0.014 . 1 . . . . . 9 ALA N . 51597 2
34 . 1 . 1 10 10 LEU H H 1 7.873 0.001 . 1 . . . . . 10 LEU H . 51597 2
35 . 1 . 1 10 10 LEU C C 13 178.955 0.000 . 1 . . . . . 10 LEU C . 51597 2
36 . 1 . 1 10 10 LEU CA C 13 57.050 0.038 . 1 . . . . . 10 LEU CA . 51597 2
37 . 1 . 1 10 10 LEU CB C 13 41.974 0.000 . 1 . . . . . 10 LEU CB . 51597 2
38 . 1 . 1 10 10 LEU N N 15 120.207 0.023 . 1 . . . . . 10 LEU N . 51597 2
39 . 1 . 1 11 11 GLN H H 1 8.250 0.001 . 1 . . . . . 11 GLN H . 51597 2
40 . 1 . 1 11 11 GLN C C 13 177.979 0.000 . 1 . . . . . 11 GLN C . 51597 2
41 . 1 . 1 11 11 GLN CA C 13 58.080 0.002 . 1 . . . . . 11 GLN CA . 51597 2
42 . 1 . 1 11 11 GLN CB C 13 28.785 0.000 . 1 . . . . . 11 GLN CB . 51597 2
43 . 1 . 1 11 11 GLN N N 15 119.481 0.014 . 1 . . . . . 11 GLN N . 51597 2
44 . 1 . 1 12 12 ALA H H 1 7.996 0.002 . 1 . . . . . 12 ALA H . 51597 2
45 . 1 . 1 12 12 ALA C C 13 179.555 0.013 . 1 . . . . . 12 ALA C . 51597 2
46 . 1 . 1 12 12 ALA CA C 13 54.051 0.010 . 1 . . . . . 12 ALA CA . 51597 2
47 . 1 . 1 12 12 ALA CB C 13 18.693 0.000 . 1 . . . . . 12 ALA CB . 51597 2
48 . 1 . 1 12 12 ALA N N 15 123.061 0.031 . 1 . . . . . 12 ALA N . 51597 2
49 . 1 . 1 13 13 LEU H H 1 7.952 0.001 . 1 . . . . . 13 LEU H . 51597 2
50 . 1 . 1 13 13 LEU C C 13 178.966 0.009 . 1 . . . . . 13 LEU C . 51597 2
51 . 1 . 1 13 13 LEU CA C 13 57.245 0.001 . 1 . . . . . 13 LEU CA . 51597 2
52 . 1 . 1 13 13 LEU CB C 13 41.983 0.000 . 1 . . . . . 13 LEU CB . 51597 2
53 . 1 . 1 13 13 LEU N N 15 120.231 0.029 . 1 . . . . . 13 LEU N . 51597 2
54 . 1 . 1 14 14 GLN H H 1 8.174 0.002 . 1 . . . . . 14 GLN H . 51597 2
55 . 1 . 1 14 14 GLN C C 13 178.125 0.001 . 1 . . . . . 14 GLN C . 51597 2
56 . 1 . 1 14 14 GLN CA C 13 58.222 0.010 . 1 . . . . . 14 GLN CA . 51597 2
57 . 1 . 1 14 14 GLN CB C 13 28.535 0.000 . 1 . . . . . 14 GLN CB . 51597 2
58 . 1 . 1 14 14 GLN N N 15 119.263 0.014 . 1 . . . . . 14 GLN N . 51597 2
59 . 1 . 1 15 15 ALA H H 1 8.002 0.001 . 1 . . . . . 15 ALA H . 51597 2
60 . 1 . 1 15 15 ALA C C 13 179.583 0.004 . 1 . . . . . 15 ALA C . 51597 2
61 . 1 . 1 15 15 ALA CA C 13 54.309 0.004 . 1 . . . . . 15 ALA CA . 51597 2
62 . 1 . 1 15 15 ALA CB C 13 18.360 0.000 . 1 . . . . . 15 ALA CB . 51597 2
63 . 1 . 1 15 15 ALA N N 15 122.882 0.019 . 1 . . . . . 15 ALA N . 51597 2
64 . 1 . 1 16 16 LEU H H 1 7.831 0.001 . 1 . . . . . 16 LEU H . 51597 2
65 . 1 . 1 16 16 LEU C C 13 179.050 0.000 . 1 . . . . . 16 LEU C . 51597 2
66 . 1 . 1 16 16 LEU CA C 13 57.255 0.032 . 1 . . . . . 16 LEU CA . 51597 2
67 . 1 . 1 16 16 LEU CB C 13 42.095 0.000 . 1 . . . . . 16 LEU CB . 51597 2
68 . 1 . 1 16 16 LEU N N 15 120.080 0.017 . 1 . . . . . 16 LEU N . 51597 2
69 . 1 . 1 17 17 GLN H H 1 8.207 0.000 . 1 . . . . . 17 GLN H . 51597 2
70 . 1 . 1 17 17 GLN C C 13 178.178 0.001 . 1 . . . . . 17 GLN C . 51597 2
71 . 1 . 1 17 17 GLN CA C 13 58.235 0.037 . 1 . . . . . 17 GLN CA . 51597 2
72 . 1 . 1 17 17 GLN CB C 13 28.561 0.000 . 1 . . . . . 17 GLN CB . 51597 2
73 . 1 . 1 17 17 GLN N N 15 119.166 0.013 . 1 . . . . . 17 GLN N . 51597 2
74 . 1 . 1 18 18 ALA H H 1 7.999 0.001 . 1 . . . . . 18 ALA H . 51597 2
75 . 1 . 1 18 18 ALA C C 13 179.635 0.000 . 1 . . . . . 18 ALA C . 51597 2
76 . 1 . 1 18 18 ALA CA C 13 54.302 0.018 . 1 . . . . . 18 ALA CA . 51597 2
77 . 1 . 1 18 18 ALA CB C 13 18.376 0.000 . 1 . . . . . 18 ALA CB . 51597 2
78 . 1 . 1 18 18 ALA N N 15 122.860 0.023 . 1 . . . . . 18 ALA N . 51597 2
79 . 1 . 1 19 19 LEU H H 1 7.860 0.005 . 1 . . . . . 19 LEU H . 51597 2
80 . 1 . 1 19 19 LEU C C 13 179.055 0.001 . 1 . . . . . 19 LEU C . 51597 2
81 . 1 . 1 19 19 LEU CA C 13 57.240 0.010 . 1 . . . . . 19 LEU CA . 51597 2
82 . 1 . 1 19 19 LEU CB C 13 42.075 0.000 . 1 . . . . . 19 LEU CB . 51597 2
83 . 1 . 1 19 19 LEU N N 15 120.210 0.025 . 1 . . . . . 19 LEU N . 51597 2
84 . 1 . 1 20 20 GLN H H 1 8.196 0.003 . 1 . . . . . 20 GLN H . 51597 2
85 . 1 . 1 20 20 GLN C C 13 177.976 0.001 . 1 . . . . . 20 GLN C . 51597 2
86 . 1 . 1 20 20 GLN CA C 13 58.121 0.020 . 1 . . . . . 20 GLN CA . 51597 2
87 . 1 . 1 20 20 GLN CB C 13 28.587 0.000 . 1 . . . . . 20 GLN CB . 51597 2
88 . 1 . 1 20 20 GLN N N 15 119.157 0.017 . 1 . . . . . 20 GLN N . 51597 2
89 . 1 . 1 21 21 ALA H H 1 7.975 0.001 . 1 . . . . . 21 ALA H . 51597 2
90 . 1 . 1 21 21 ALA C C 13 179.514 0.005 . 1 . . . . . 21 ALA C . 51597 2
91 . 1 . 1 21 21 ALA CA C 13 54.164 0.009 . 1 . . . . . 21 ALA CA . 51597 2
92 . 1 . 1 21 21 ALA CB C 13 18.485 0.000 . 1 . . . . . 21 ALA CB . 51597 2
93 . 1 . 1 21 21 ALA N N 15 122.740 0.033 . 1 . . . . . 21 ALA N . 51597 2
94 . 1 . 1 22 22 LEU H H 1 7.832 0.001 . 1 . . . . . 22 LEU H . 51597 2
95 . 1 . 1 22 22 LEU C C 13 178.795 0.000 . 1 . . . . . 22 LEU C . 51597 2
96 . 1 . 1 22 22 LEU CA C 13 56.968 0.011 . 1 . . . . . 22 LEU CA . 51597 2
97 . 1 . 1 22 22 LEU CB C 13 42.216 0.000 . 1 . . . . . 22 LEU CB . 51597 2
98 . 1 . 1 22 22 LEU N N 15 120.394 0.013 . 1 . . . . . 22 LEU N . 51597 2
99 . 1 . 1 23 23 GLN H H 1 8.120 0.002 . 1 . . . . . 23 GLN H . 51597 2
100 . 1 . 1 23 23 GLN C C 13 177.613 0.000 . 1 . . . . . 23 GLN C . 51597 2
101 . 1 . 1 23 23 GLN CA C 13 57.532 0.007 . 1 . . . . . 23 GLN CA . 51597 2
102 . 1 . 1 23 23 GLN CB C 13 28.819 0.000 . 1 . . . . . 23 GLN CB . 51597 2
103 . 1 . 1 23 23 GLN N N 15 119.133 0.026 . 1 . . . . . 23 GLN N . 51597 2
104 . 1 . 1 24 24 ALA H H 1 8.042 0.002 . 1 . . . . . 24 ALA H . 51597 2
105 . 1 . 1 24 24 ALA C C 13 178.824 0.002 . 1 . . . . . 24 ALA C . 51597 2
106 . 1 . 1 24 24 ALA CA C 13 53.797 0.003 . 1 . . . . . 24 ALA CA . 51597 2
107 . 1 . 1 24 24 ALA CB C 13 18.717 0.000 . 1 . . . . . 24 ALA CB . 51597 2
108 . 1 . 1 24 24 ALA N N 15 123.134 0.016 . 1 . . . . . 24 ALA N . 51597 2
109 . 1 . 1 25 25 ALA H H 1 7.913 0.002 . 1 . . . . . 25 ALA H . 51597 2
110 . 1 . 1 25 25 ALA C C 13 178.911 0.003 . 1 . . . . . 25 ALA C . 51597 2
111 . 1 . 1 25 25 ALA CA C 13 53.622 0.041 . 1 . . . . . 25 ALA CA . 51597 2
112 . 1 . 1 25 25 ALA CB C 13 18.785 0.000 . 1 . . . . . 25 ALA CB . 51597 2
113 . 1 . 1 25 25 ALA N N 15 121.590 0.012 . 1 . . . . . 25 ALA N . 51597 2
114 . 1 . 1 26 26 GLN H H 1 8.007 0.002 . 1 . . . . . 26 GLN H . 51597 2
115 . 1 . 1 26 26 GLN C C 13 176.596 0.000 . 1 . . . . . 26 GLN C . 51597 2
116 . 1 . 1 26 26 GLN CA C 13 56.690 0.010 . 1 . . . . . 26 GLN CA . 51597 2
117 . 1 . 1 26 26 GLN CB C 13 29.159 0.000 . 1 . . . . . 26 GLN CB . 51597 2
118 . 1 . 1 26 26 GLN N N 15 117.876 0.014 . 1 . . . . . 26 GLN N . 51597 2
119 . 1 . 1 27 27 ALA H H 1 7.935 0.001 . 1 . . . . . 27 ALA H . 51597 2
120 . 1 . 1 27 27 ALA C C 13 177.668 0.001 . 1 . . . . . 27 ALA C . 51597 2
121 . 1 . 1 27 27 ALA CA C 13 52.955 0.021 . 1 . . . . . 27 ALA CA . 51597 2
122 . 1 . 1 27 27 ALA CB C 13 19.072 0.000 . 1 . . . . . 27 ALA CB . 51597 2
123 . 1 . 1 27 27 ALA N N 15 123.455 0.016 . 1 . . . . . 27 ALA N . 51597 2
124 . 1 . 1 28 28 ALA H H 1 7.868 0.001 . 1 . . . . . 28 ALA H . 51597 2
125 . 1 . 1 28 28 ALA C C 13 177.594 0.004 . 1 . . . . . 28 ALA C . 51597 2
126 . 1 . 1 28 28 ALA CA C 13 52.623 0.020 . 1 . . . . . 28 ALA CA . 51597 2
127 . 1 . 1 28 28 ALA CB C 13 19.208 0.000 . 1 . . . . . 28 ALA CB . 51597 2
128 . 1 . 1 28 28 ALA N N 15 121.938 0.016 . 1 . . . . . 28 ALA N . 51597 2
129 . 1 . 1 29 29 LYS H H 1 7.928 0.002 . 1 . . . . . 29 LYS H . 51597 2
130 . 1 . 1 29 29 LYS C C 13 176.044 0.002 . 1 . . . . . 29 LYS C . 51597 2
131 . 1 . 1 29 29 LYS CA C 13 56.344 0.000 . 1 . . . . . 29 LYS CA . 51597 2
132 . 1 . 1 29 29 LYS CB C 13 33.123 0.000 . 1 . . . . . 29 LYS CB . 51597 2
133 . 1 . 1 29 29 LYS N N 15 120.231 0.027 . 1 . . . . . 29 LYS N . 51597 2
134 . 1 . 1 30 30 LYS H H 1 8.102 0.001 . 1 . . . . . 30 LYS H . 51597 2
135 . 1 . 1 30 30 LYS C C 13 175.160 0.001 . 1 . . . . . 30 LYS C . 51597 2
136 . 1 . 1 30 30 LYS CA C 13 56.286 0.010 . 1 . . . . . 30 LYS CA . 51597 2
137 . 1 . 1 30 30 LYS CB C 13 33.337 0.000 . 1 . . . . . 30 LYS CB . 51597 2
138 . 1 . 1 30 30 LYS N N 15 123.054 0.020 . 1 . . . . . 30 LYS N . 51597 2
139 . 1 . 1 31 31 TYR H H 1 7.629 0.001 . 1 . . . . . 31 TYR H . 51597 2
140 . 1 . 1 31 31 TYR C C 13 180.345 0.000 . 1 . . . . . 31 TYR C . 51597 2
141 . 1 . 1 31 31 TYR CA C 13 59.251 0.000 . 1 . . . . . 31 TYR CA . 51597 2
142 . 1 . 1 31 31 TYR N N 15 125.910 0.025 . 1 . . . . . 31 TYR N . 51597 2
stop_
save_