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 51596
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name (P3-7)3_pH28_278K
_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' . . . 51596 2
9 '3D HN(CA)CO' . . . 51596 2
10 '3D HN(CO)CA' . . . 51596 2
11 '3D HNCA' . . . 51596 2
12 '3D HN(CO)CACB' . . . 51596 2
13 '2D CON' . . . 51596 2
14 '2D CACO' . . . 51596 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 . . 51596 2
2 $software_2 . . 51596 2
3 $software_3 . . 51596 2
4 $software_4 . . 51596 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 13 172.630 0.007 . 1 . . . . . 1 LYS C . 51596 2
2 . 1 . 1 1 1 LYS CA C 13 55.607 0.002 . 1 . . . . . 1 LYS CA . 51596 2
3 . 1 . 1 1 1 LYS CB C 13 33.402 0.000 . 1 . . . . . 1 LYS CB . 51596 2
4 . 1 . 1 2 2 LYS H H 1 8.907 0.001 . 1 . . . . . 2 LYS H . 51596 2
5 . 1 . 1 2 2 LYS C C 13 174.538 0.004 . 1 . . . . . 2 LYS C . 51596 2
6 . 1 . 1 2 2 LYS CA C 13 54.728 0.000 . 1 . . . . . 2 LYS CA . 51596 2
7 . 1 . 1 2 2 LYS N N 15 125.781 0.026 . 1 . . . . . 2 LYS N . 51596 2
8 . 1 . 1 3 3 PRO C C 13 177.587 0.002 . 1 . . . . . 3 PRO C . 51596 2
9 . 1 . 1 3 3 PRO CA C 13 63.445 0.003 . 1 . . . . . 3 PRO CA . 51596 2
10 . 1 . 1 3 3 PRO CB C 13 32.295 0.000 . 1 . . . . . 3 PRO CB . 51596 2
11 . 1 . 1 3 3 PRO N N 15 115.623 0.000 . 1 . . . . . 3 PRO N . 51596 2
12 . 1 . 1 4 4 GLY H H 1 8.622 0.002 . 1 . . . . . 4 GLY H . 51596 2
13 . 1 . 1 4 4 GLY C C 13 174.132 0.004 . 1 . . . . . 4 GLY C . 51596 2
14 . 1 . 1 4 4 GLY CA C 13 45.154 0.003 . 1 . . . . . 4 GLY CA . 51596 2
15 . 1 . 1 4 4 GLY N N 15 109.612 0.002 . 1 . . . . . 4 GLY N . 51596 2
16 . 1 . 1 5 5 ALA H H 1 8.345 0.001 . 1 . . . . . 5 ALA H . 51596 2
17 . 1 . 1 5 5 ALA C C 13 178.684 0.003 . 1 . . . . . 5 ALA C . 51596 2
18 . 1 . 1 5 5 ALA CA C 13 53.264 0.003 . 1 . . . . . 5 ALA CA . 51596 2
19 . 1 . 1 5 5 ALA CB C 13 19.308 0.000 . 1 . . . . . 5 ALA CB . 51596 2
20 . 1 . 1 5 5 ALA N N 15 124.074 0.026 . 1 . . . . . 5 ALA N . 51596 2
21 . 1 . 1 6 6 SER H H 1 8.548 0.001 . 1 . . . . . 6 SER H . 51596 2
22 . 1 . 1 6 6 SER C C 13 175.568 0.001 . 1 . . . . . 6 SER C . 51596 2
23 . 1 . 1 6 6 SER CA C 13 58.897 0.006 . 1 . . . . . 6 SER CA . 51596 2
24 . 1 . 1 6 6 SER CB C 13 63.659 0.000 . 1 . . . . . 6 SER CB . 51596 2
25 . 1 . 1 6 6 SER N N 15 115.937 0.001 . 1 . . . . . 6 SER N . 51596 2
26 . 1 . 1 7 7 LEU H H 1 8.481 0.001 . 1 . . . . . 7 LEU H . 51596 2
27 . 1 . 1 7 7 LEU C C 13 178.715 0.005 . 1 . . . . . 7 LEU C . 51596 2
28 . 1 . 1 7 7 LEU CA C 13 57.561 0.005 . 1 . . . . . 7 LEU CA . 51596 2
29 . 1 . 1 7 7 LEU CB C 13 41.501 0.000 . 1 . . . . . 7 LEU CB . 51596 2
30 . 1 . 1 7 7 LEU N N 15 125.064 0.021 . 1 . . . . . 7 LEU N . 51596 2
31 . 1 . 1 8 8 ALA H H 1 8.374 0.002 . 1 . . . . . 8 ALA H . 51596 2
32 . 1 . 1 8 8 ALA C C 13 180.833 0.008 . 1 . . . . . 8 ALA C . 51596 2
33 . 1 . 1 8 8 ALA CA C 13 55.051 0.001 . 1 . . . . . 8 ALA CA . 51596 2
34 . 1 . 1 8 8 ALA CB C 13 18.059 0.000 . 1 . . . . . 8 ALA CB . 51596 2
35 . 1 . 1 8 8 ALA N N 15 121.415 0.019 . 1 . . . . . 8 ALA N . 51596 2
36 . 1 . 1 9 9 ALA H H 1 8.124 0.002 . 1 . . . . . 9 ALA H . 51596 2
37 . 1 . 1 9 9 ALA C C 13 180.909 0.009 . 1 . . . . . 9 ALA C . 51596 2
38 . 1 . 1 9 9 ALA CA C 13 54.984 0.034 . 1 . . . . . 9 ALA CA . 51596 2
39 . 1 . 1 9 9 ALA CB C 13 18.059 0.000 . 1 . . . . . 9 ALA CB . 51596 2
40 . 1 . 1 9 9 ALA N N 15 121.975 0.016 . 1 . . . . . 9 ALA N . 51596 2
41 . 1 . 1 10 10 LEU H H 1 8.142 0.001 . 1 . . . . . 10 LEU H . 51596 2
42 . 1 . 1 10 10 LEU C C 13 179.565 0.004 . 1 . . . . . 10 LEU C . 51596 2
43 . 1 . 1 10 10 LEU CA C 13 58.074 0.018 . 1 . . . . . 10 LEU CA . 51596 2
44 . 1 . 1 10 10 LEU CB C 13 41.625 0.000 . 1 . . . . . 10 LEU CB . 51596 2
45 . 1 . 1 10 10 LEU N N 15 122.200 0.028 . 1 . . . . . 10 LEU N . 51596 2
46 . 1 . 1 11 11 GLU H H 1 8.600 0.001 . 1 . . . . . 11 GLU H . 51596 2
47 . 1 . 1 11 11 GLU C C 13 179.584 0.002 . 1 . . . . . 11 GLU C . 51596 2
48 . 1 . 1 11 11 GLU CA C 13 58.837 0.004 . 1 . . . . . 11 GLU CA . 51596 2
49 . 1 . 1 11 11 GLU CB C 13 27.591 0.000 . 1 . . . . . 11 GLU CB . 51596 2
50 . 1 . 1 11 11 GLU N N 15 118.861 0.022 . 1 . . . . . 11 GLU N . 51596 2
51 . 1 . 1 12 12 ALA H H 1 8.131 0.003 . 1 . . . . . 12 ALA H . 51596 2
52 . 1 . 1 12 12 ALA C C 13 180.654 0.000 . 1 . . . . . 12 ALA C . 51596 2
53 . 1 . 1 12 12 ALA CA C 13 55.109 0.019 . 1 . . . . . 12 ALA CA . 51596 2
54 . 1 . 1 12 12 ALA CB C 13 17.770 0.000 . 1 . . . . . 12 ALA CB . 51596 2
55 . 1 . 1 12 12 ALA N N 15 122.945 0.040 . 1 . . . . . 12 ALA N . 51596 2
56 . 1 . 1 13 13 LEU H H 1 7.997 0.002 . 1 . . . . . 13 LEU H . 51596 2
57 . 1 . 1 13 13 LEU C C 13 179.277 0.006 . 1 . . . . . 13 LEU C . 51596 2
58 . 1 . 1 13 13 LEU CA C 13 58.093 0.002 . 1 . . . . . 13 LEU CA . 51596 2
59 . 1 . 1 13 13 LEU CB C 13 41.783 0.000 . 1 . . . . . 13 LEU CB . 51596 2
60 . 1 . 1 13 13 LEU N N 15 122.414 0.036 . 1 . . . . . 13 LEU N . 51596 2
61 . 1 . 1 14 14 GLU H H 1 8.492 0.002 . 1 . . . . . 14 GLU H . 51596 2
62 . 1 . 1 14 14 GLU C C 13 179.664 0.005 . 1 . . . . . 14 GLU C . 51596 2
63 . 1 . 1 14 14 GLU CA C 13 58.881 0.003 . 1 . . . . . 14 GLU CA . 51596 2
64 . 1 . 1 14 14 GLU CB C 13 27.637 0.000 . 1 . . . . . 14 GLU CB . 51596 2
65 . 1 . 1 14 14 GLU N N 15 118.802 0.023 . 1 . . . . . 14 GLU N . 51596 2
66 . 1 . 1 15 15 ALA H H 1 8.157 0.002 . 1 . . . . . 15 ALA H . 51596 2
67 . 1 . 1 15 15 ALA C C 13 180.651 0.001 . 1 . . . . . 15 ALA C . 51596 2
68 . 1 . 1 15 15 ALA CA C 13 55.141 0.000 . 1 . . . . . 15 ALA CA . 51596 2
69 . 1 . 1 15 15 ALA CB C 13 17.733 0.000 . 1 . . . . . 15 ALA CB . 51596 2
70 . 1 . 1 15 15 ALA N N 15 122.858 0.021 . 1 . . . . . 15 ALA N . 51596 2
71 . 1 . 1 16 16 LEU H H 1 8.016 0.001 . 1 . . . . . 16 LEU H . 51596 2
72 . 1 . 1 16 16 LEU C C 13 179.381 0.007 . 1 . . . . . 16 LEU C . 51596 2
73 . 1 . 1 16 16 LEU CA C 13 58.149 0.002 . 1 . . . . . 16 LEU CA . 51596 2
74 . 1 . 1 16 16 LEU CB C 13 41.831 0.000 . 1 . . . . . 16 LEU CB . 51596 2
75 . 1 . 1 16 16 LEU N N 15 122.664 0.036 . 1 . . . . . 16 LEU N . 51596 2
76 . 1 . 1 17 17 GLU H H 1 8.620 0.001 . 1 . . . . . 17 GLU H . 51596 2
77 . 1 . 1 17 17 GLU C C 13 179.755 0.006 . 1 . . . . . 17 GLU C . 51596 2
78 . 1 . 1 17 17 GLU CA C 13 58.862 0.026 . 1 . . . . . 17 GLU CA . 51596 2
79 . 1 . 1 17 17 GLU CB C 13 27.613 0.000 . 1 . . . . . 17 GLU CB . 51596 2
80 . 1 . 1 17 17 GLU N N 15 118.675 0.016 . 1 . . . . . 17 GLU N . 51596 2
81 . 1 . 1 18 18 ALA H H 1 8.161 0.001 . 1 . . . . . 18 ALA H . 51596 2
82 . 1 . 1 18 18 ALA C C 13 180.652 0.013 . 1 . . . . . 18 ALA C . 51596 2
83 . 1 . 1 18 18 ALA CA C 13 55.131 0.001 . 1 . . . . . 18 ALA CA . 51596 2
84 . 1 . 1 18 18 ALA CB C 13 17.794 0.000 . 1 . . . . . 18 ALA CB . 51596 2
85 . 1 . 1 18 18 ALA N N 15 122.964 0.036 . 1 . . . . . 18 ALA N . 51596 2
86 . 1 . 1 19 19 LEU H H 1 7.996 0.002 . 1 . . . . . 19 LEU H . 51596 2
87 . 1 . 1 19 19 LEU C C 13 179.503 0.007 . 1 . . . . . 19 LEU C . 51596 2
88 . 1 . 1 19 19 LEU CA C 13 58.187 0.025 . 1 . . . . . 19 LEU CA . 51596 2
89 . 1 . 1 19 19 LEU CB C 13 41.853 0.000 . 1 . . . . . 19 LEU CB . 51596 2
90 . 1 . 1 19 19 LEU N N 15 122.534 0.033 . 1 . . . . . 19 LEU N . 51596 2
91 . 1 . 1 20 20 GLU H H 1 8.652 0.002 . 1 . . . . . 20 GLU H . 51596 2
92 . 1 . 1 20 20 GLU C C 13 179.664 0.003 . 1 . . . . . 20 GLU C . 51596 2
93 . 1 . 1 20 20 GLU CA C 13 58.821 0.000 . 1 . . . . . 20 GLU CA . 51596 2
94 . 1 . 1 20 20 GLU CB C 13 27.683 0.000 . 1 . . . . . 20 GLU CB . 51596 2
95 . 1 . 1 20 20 GLU N N 15 118.678 0.015 . 1 . . . . . 20 GLU N . 51596 2
96 . 1 . 1 21 21 ALA H H 1 8.129 0.003 . 1 . . . . . 21 ALA H . 51596 2
97 . 1 . 1 21 21 ALA C C 13 180.827 0.007 . 1 . . . . . 21 ALA C . 51596 2
98 . 1 . 1 21 21 ALA CA C 13 55.091 0.002 . 1 . . . . . 21 ALA CA . 51596 2
99 . 1 . 1 21 21 ALA CB C 13 17.807 0.000 . 1 . . . . . 21 ALA CB . 51596 2
100 . 1 . 1 21 21 ALA N N 15 122.798 0.018 . 1 . . . . . 21 ALA N . 51596 2
101 . 1 . 1 22 22 LEU H H 1 7.977 0.002 . 1 . . . . . 22 LEU H . 51596 2
102 . 1 . 1 22 22 LEU C C 13 179.710 0.004 . 1 . . . . . 22 LEU C . 51596 2
103 . 1 . 1 22 22 LEU CA C 13 58.217 0.012 . 1 . . . . . 22 LEU CA . 51596 2
104 . 1 . 1 22 22 LEU CB C 13 41.961 0.000 . 1 . . . . . 22 LEU CB . 51596 2
105 . 1 . 1 22 22 LEU N N 15 122.628 0.024 . 1 . . . . . 22 LEU N . 51596 2
106 . 1 . 1 23 23 GLU H H 1 8.542 0.002 . 1 . . . . . 23 GLU H . 51596 2
107 . 1 . 1 23 23 GLU C C 13 179.540 0.007 . 1 . . . . . 23 GLU C . 51596 2
108 . 1 . 1 23 23 GLU CA C 13 58.667 0.023 . 1 . . . . . 23 GLU CA . 51596 2
109 . 1 . 1 23 23 GLU CB C 13 27.768 0.000 . 1 . . . . . 23 GLU CB . 51596 2
110 . 1 . 1 23 23 GLU N N 15 118.599 0.017 . 1 . . . . . 23 GLU N . 51596 2
111 . 1 . 1 24 24 ALA H H 1 8.210 0.001 . 1 . . . . . 24 ALA H . 51596 2
112 . 1 . 1 24 24 ALA C C 13 180.328 0.006 . 1 . . . . . 24 ALA C . 51596 2
113 . 1 . 1 24 24 ALA CA C 13 54.842 0.028 . 1 . . . . . 24 ALA CA . 51596 2
114 . 1 . 1 24 24 ALA CB C 13 17.888 0.000 . 1 . . . . . 24 ALA CB . 51596 2
115 . 1 . 1 24 24 ALA N N 15 122.607 0.029 . 1 . . . . . 24 ALA N . 51596 2
116 . 1 . 1 25 25 ALA H H 1 7.956 0.001 . 1 . . . . . 25 ALA H . 51596 2
117 . 1 . 1 25 25 ALA C C 13 180.578 0.004 . 1 . . . . . 25 ALA C . 51596 2
118 . 1 . 1 25 25 ALA CA C 13 54.649 0.034 . 1 . . . . . 25 ALA CA . 51596 2
119 . 1 . 1 25 25 ALA CB C 13 18.100 0.000 . 1 . . . . . 25 ALA CB . 51596 2
120 . 1 . 1 25 25 ALA N N 15 121.962 0.034 . 1 . . . . . 25 ALA N . 51596 2
121 . 1 . 1 26 26 GLU H H 1 8.189 0.001 . 1 . . . . . 26 GLU H . 51596 2
122 . 1 . 1 26 26 GLU C C 13 178.206 0.003 . 1 . . . . . 26 GLU C . 51596 2
123 . 1 . 1 26 26 GLU CA C 13 57.835 0.002 . 1 . . . . . 26 GLU CA . 51596 2
124 . 1 . 1 26 26 GLU CB C 13 28.163 0.000 . 1 . . . . . 26 GLU CB . 51596 2
125 . 1 . 1 26 26 GLU N N 15 117.674 0.019 . 1 . . . . . 26 GLU N . 51596 2
126 . 1 . 1 27 27 ALA H H 1 7.923 0.001 . 1 . . . . . 27 ALA H . 51596 2
127 . 1 . 1 27 27 ALA C C 13 178.735 0.006 . 1 . . . . . 27 ALA C . 51596 2
128 . 1 . 1 27 27 ALA CA C 13 53.887 0.010 . 1 . . . . . 27 ALA CA . 51596 2
129 . 1 . 1 27 27 ALA CB C 13 18.493 0.000 . 1 . . . . . 27 ALA CB . 51596 2
130 . 1 . 1 27 27 ALA N N 15 122.234 0.046 . 1 . . . . . 27 ALA N . 51596 2
131 . 1 . 1 28 28 ALA H H 1 7.726 0.001 . 1 . . . . . 28 ALA H . 51596 2
132 . 1 . 1 28 28 ALA C C 13 178.277 0.005 . 1 . . . . . 28 ALA C . 51596 2
133 . 1 . 1 28 28 ALA CA C 13 53.152 0.025 . 1 . . . . . 28 ALA CA . 51596 2
134 . 1 . 1 28 28 ALA CB C 13 18.737 0.000 . 1 . . . . . 28 ALA CB . 51596 2
135 . 1 . 1 28 28 ALA N N 15 120.371 0.023 . 1 . . . . . 28 ALA N . 51596 2
136 . 1 . 1 29 29 LYS H H 1 7.735 0.002 . 1 . . . . . 29 LYS H . 51596 2
137 . 1 . 1 29 29 LYS C C 13 176.431 0.002 . 1 . . . . . 29 LYS C . 51596 2
138 . 1 . 1 29 29 LYS CA C 13 56.696 0.007 . 1 . . . . . 29 LYS CA . 51596 2
139 . 1 . 1 29 29 LYS CB C 13 32.786 0.000 . 1 . . . . . 29 LYS CB . 51596 2
140 . 1 . 1 29 29 LYS N N 15 118.854 0.019 . 1 . . . . . 29 LYS N . 51596 2
141 . 1 . 1 30 30 LYS H H 1 8.013 0.001 . 1 . . . . . 30 LYS H . 51596 2
142 . 1 . 1 30 30 LYS C C 13 176.156 0.002 . 1 . . . . . 30 LYS C . 51596 2
143 . 1 . 1 30 30 LYS CA C 13 56.339 0.022 . 1 . . . . . 30 LYS CA . 51596 2
144 . 1 . 1 30 30 LYS CB C 13 33.146 0.000 . 1 . . . . . 30 LYS CB . 51596 2
145 . 1 . 1 30 30 LYS N N 15 121.310 0.017 . 1 . . . . . 30 LYS N . 51596 2
146 . 1 . 1 31 31 TYR H H 1 8.222 0.002 . 1 . . . . . 31 TYR H . 51596 2
147 . 1 . 1 31 31 TYR C C 13 177.547 0.002 . 1 . . . . . 31 TYR C . 51596 2
148 . 1 . 1 31 31 TYR CA C 13 56.933 0.000 . 1 . . . . . 31 TYR CA . 51596 2
149 . 1 . 1 31 31 TYR N N 15 121.252 0.026 . 1 . . . . . 31 TYR N . 51596 2
stop_
save_