Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51596
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name (P3-7)3_pH28_310K
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
15 '3D HNCO' . . . 51596 3
16 '3D HN(CA)CO' . . . 51596 3
17 '3D HN(CO)CA' . . . 51596 3
18 '3D HNCA' . . . 51596 3
19 '3D HN(CO)CACB' . . . 51596 3
20 '2D CON' . . . 51596 3
21 '2D CACO' . . . 51596 3
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 3
2 $software_2 . . 51596 3
3 $software_3 . . 51596 3
4 $software_4 . . 51596 3
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 13 172.524 0.008 . 1 . . . . . 1 LYS C . 51596 3
2 . 1 . 1 1 1 LYS CA C 13 55.767 0.033 . 1 . . . . . 1 LYS CA . 51596 3
3 . 1 . 1 1 1 LYS CB C 13 33.327 0.000 . 1 . . . . . 1 LYS CB . 51596 3
4 . 1 . 1 2 2 LYS H H 1 8.685 0.000 . 1 . . . . . 2 LYS H . 51596 3
5 . 1 . 1 2 2 LYS C C 13 174.444 0.009 . 1 . . . . . 2 LYS C . 51596 3
6 . 1 . 1 2 2 LYS CA C 13 54.710 0.000 . 1 . . . . . 2 LYS CA . 51596 3
7 . 1 . 1 2 2 LYS N N 15 125.385 0.008 . 1 . . . . . 2 LYS N . 51596 3
8 . 1 . 1 3 3 PRO C C 13 177.483 0.002 . 1 . . . . . 3 PRO C . 51596 3
9 . 1 . 1 3 3 PRO CA C 13 63.495 0.017 . 1 . . . . . 3 PRO CA . 51596 3
10 . 1 . 1 3 3 PRO CB C 13 32.274 0.000 . 1 . . . . . 3 PRO CB . 51596 3
11 . 1 . 1 4 4 GLY H H 1 8.366 0.001 . 1 . . . . . 4 GLY H . 51596 3
12 . 1 . 1 4 4 GLY C C 13 174.096 0.001 . 1 . . . . . 4 GLY C . 51596 3
13 . 1 . 1 4 4 GLY CA C 13 45.342 0.003 . 1 . . . . . 4 GLY CA . 51596 3
14 . 1 . 1 4 4 GLY N N 15 109.124 0.000 . 1 . . . . . 4 GLY N . 51596 3
15 . 1 . 1 5 5 ALA H H 1 8.117 0.000 . 1 . . . . . 5 ALA H . 51596 3
16 . 1 . 1 5 5 ALA C C 13 178.224 0.005 . 1 . . . . . 5 ALA C . 51596 3
17 . 1 . 1 5 5 ALA CA C 13 52.976 0.029 . 1 . . . . . 5 ALA CA . 51596 3
18 . 1 . 1 5 5 ALA CB C 13 19.488 0.000 . 1 . . . . . 5 ALA CB . 51596 3
19 . 1 . 1 5 5 ALA N N 15 123.778 0.001 . 1 . . . . . 5 ALA N . 51596 3
20 . 1 . 1 6 6 SER H H 1 8.270 0.001 . 1 . . . . . 6 SER H . 51596 3
21 . 1 . 1 6 6 SER C C 13 175.335 0.001 . 1 . . . . . 6 SER C . 51596 3
22 . 1 . 1 6 6 SER CA C 13 58.594 0.023 . 1 . . . . . 6 SER CA . 51596 3
23 . 1 . 1 6 6 SER CB C 13 63.896 0.000 . 1 . . . . . 6 SER CB . 51596 3
24 . 1 . 1 6 6 SER N N 15 115.266 0.000 . 1 . . . . . 6 SER N . 51596 3
25 . 1 . 1 7 7 LEU H H 1 8.282 0.001 . 1 . . . . . 7 LEU H . 51596 3
26 . 1 . 1 7 7 LEU C C 13 178.391 0.005 . 1 . . . . . 7 LEU C . 51596 3
27 . 1 . 1 7 7 LEU CA C 13 57.172 0.003 . 1 . . . . . 7 LEU CA . 51596 3
28 . 1 . 1 7 7 LEU CB C 13 41.832 0.000 . 1 . . . . . 7 LEU CB . 51596 3
29 . 1 . 1 7 7 LEU N N 15 124.693 0.007 . 1 . . . . . 7 LEU N . 51596 3
30 . 1 . 1 8 8 ALA H H 1 8.169 0.001 . 1 . . . . . 8 ALA H . 51596 3
31 . 1 . 1 8 8 ALA C C 13 180.090 0.011 . 1 . . . . . 8 ALA C . 51596 3
32 . 1 . 1 8 8 ALA CA C 13 54.741 0.022 . 1 . . . . . 8 ALA CA . 51596 3
33 . 1 . 1 8 8 ALA CB C 13 18.409 0.000 . 1 . . . . . 8 ALA CB . 51596 3
34 . 1 . 1 8 8 ALA N N 15 121.940 0.003 . 1 . . . . . 8 ALA N . 51596 3
35 . 1 . 1 9 9 ALA H H 1 7.962 0.001 . 1 . . . . . 9 ALA H . 51596 3
36 . 1 . 1 9 9 ALA C C 13 180.213 0.008 . 1 . . . . . 9 ALA C . 51596 3
37 . 1 . 1 9 9 ALA CA C 13 54.636 0.039 . 1 . . . . . 9 ALA CA . 51596 3
38 . 1 . 1 9 9 ALA CB C 13 18.379 0.000 . 1 . . . . . 9 ALA CB . 51596 3
39 . 1 . 1 9 9 ALA N N 15 121.514 0.012 . 1 . . . . . 9 ALA N . 51596 3
40 . 1 . 1 10 10 LEU H H 1 7.950 0.001 . 1 . . . . . 10 LEU H . 51596 3
41 . 1 . 1 10 10 LEU C C 13 179.287 0.003 . 1 . . . . . 10 LEU C . 51596 3
42 . 1 . 1 10 10 LEU CA C 13 57.746 0.019 . 1 . . . . . 10 LEU CA . 51596 3
43 . 1 . 1 10 10 LEU CB C 13 41.906 0.000 . 1 . . . . . 10 LEU CB . 51596 3
44 . 1 . 1 10 10 LEU N N 15 120.793 0.003 . 1 . . . . . 10 LEU N . 51596 3
45 . 1 . 1 11 11 GLU H H 1 8.369 0.000 . 1 . . . . . 11 GLU H . 51596 3
46 . 1 . 1 11 11 GLU C C 13 178.891 0.004 . 1 . . . . . 11 GLU C . 51596 3
47 . 1 . 1 11 11 GLU CA C 13 58.669 0.036 . 1 . . . . . 11 GLU CA . 51596 3
48 . 1 . 1 11 11 GLU CB C 13 27.886 0.000 . 1 . . . . . 11 GLU CB . 51596 3
49 . 1 . 1 11 11 GLU N N 15 118.717 0.002 . 1 . . . . . 11 GLU N . 51596 3
50 . 1 . 1 12 12 ALA H H 1 7.977 0.001 . 1 . . . . . 12 ALA H . 51596 3
51 . 1 . 1 12 12 ALA C C 13 180.233 0.009 . 1 . . . . . 12 ALA C . 51596 3
52 . 1 . 1 12 12 ALA CA C 13 54.912 0.015 . 1 . . . . . 12 ALA CA . 51596 3
53 . 1 . 1 12 12 ALA CB C 13 18.087 0.000 . 1 . . . . . 12 ALA CB . 51596 3
54 . 1 . 1 12 12 ALA N N 15 122.653 0.006 . 1 . . . . . 12 ALA N . 51596 3
55 . 1 . 1 13 13 LEU H H 1 7.870 0.000 . 1 . . . . . 13 LEU H . 51596 3
56 . 1 . 1 13 13 LEU C C 13 179.212 0.008 . 1 . . . . . 13 LEU C . 51596 3
57 . 1 . 1 13 13 LEU CA C 13 57.927 0.015 . 1 . . . . . 13 LEU CA . 51596 3
58 . 1 . 1 13 13 LEU CB C 13 41.990 0.000 . 1 . . . . . 13 LEU CB . 51596 3
59 . 1 . 1 13 13 LEU N N 15 120.939 0.001 . 1 . . . . . 13 LEU N . 51596 3
60 . 1 . 1 14 14 GLU H H 1 8.321 0.001 . 1 . . . . . 14 GLU H . 51596 3
61 . 1 . 1 14 14 GLU C C 13 179.099 0.000 . 1 . . . . . 14 GLU C . 51596 3
62 . 1 . 1 14 14 GLU CA C 13 58.855 0.001 . 1 . . . . . 14 GLU CA . 51596 3
63 . 1 . 1 14 14 GLU CB C 13 27.821 0.000 . 1 . . . . . 14 GLU CB . 51596 3
64 . 1 . 1 14 14 GLU N N 15 118.612 0.005 . 1 . . . . . 14 GLU N . 51596 3
65 . 1 . 1 15 15 ALA H H 1 8.029 0.000 . 1 . . . . . 15 ALA H . 51596 3
66 . 1 . 1 15 15 ALA C C 13 180.328 0.009 . 1 . . . . . 15 ALA C . 51596 3
67 . 1 . 1 15 15 ALA CA C 13 55.008 0.001 . 1 . . . . . 15 ALA CA . 51596 3
68 . 1 . 1 15 15 ALA CB C 13 18.113 0.000 . 1 . . . . . 15 ALA CB . 51596 3
69 . 1 . 1 15 15 ALA N N 15 122.643 0.017 . 1 . . . . . 15 ALA N . 51596 3
70 . 1 . 1 16 16 LEU H H 1 7.875 0.001 . 1 . . . . . 16 LEU H . 51596 3
71 . 1 . 1 16 16 LEU C C 13 179.313 0.006 . 1 . . . . . 16 LEU C . 51596 3
72 . 1 . 1 16 16 LEU CA C 13 57.940 0.075 . 1 . . . . . 16 LEU CA . 51596 3
73 . 1 . 1 16 16 LEU CB C 13 41.998 0.000 . 1 . . . . . 16 LEU CB . 51596 3
74 . 1 . 1 16 16 LEU N N 15 121.136 0.015 . 1 . . . . . 16 LEU N . 51596 3
75 . 1 . 1 17 17 GLU H H 1 8.413 0.001 . 1 . . . . . 17 GLU H . 51596 3
76 . 1 . 1 17 17 GLU C C 13 179.205 0.012 . 1 . . . . . 17 GLU C . 51596 3
77 . 1 . 1 17 17 GLU CA C 13 58.884 0.035 . 1 . . . . . 17 GLU CA . 51596 3
78 . 1 . 1 17 17 GLU CB C 13 27.824 0.000 . 1 . . . . . 17 GLU CB . 51596 3
79 . 1 . 1 17 17 GLU N N 15 118.528 0.003 . 1 . . . . . 17 GLU N . 51596 3
80 . 1 . 1 18 18 ALA H H 1 8.030 0.001 . 1 . . . . . 18 ALA H . 51596 3
81 . 1 . 1 18 18 ALA C C 13 180.344 0.014 . 1 . . . . . 18 ALA C . 51596 3
82 . 1 . 1 18 18 ALA CA C 13 55.035 0.006 . 1 . . . . . 18 ALA CA . 51596 3
83 . 1 . 1 18 18 ALA CB C 13 18.094 0.000 . 1 . . . . . 18 ALA CB . 51596 3
84 . 1 . 1 18 18 ALA N N 15 122.645 0.008 . 1 . . . . . 18 ALA N . 51596 3
85 . 1 . 1 19 19 LEU H H 1 7.869 0.001 . 1 . . . . . 19 LEU H . 51596 3
86 . 1 . 1 19 19 LEU C C 13 179.339 0.018 . 1 . . . . . 19 LEU C . 51596 3
87 . 1 . 1 19 19 LEU CA C 13 57.983 0.012 . 1 . . . . . 19 LEU CA . 51596 3
88 . 1 . 1 19 19 LEU CB C 13 41.990 0.000 . 1 . . . . . 19 LEU CB . 51596 3
89 . 1 . 1 19 19 LEU N N 15 121.108 0.017 . 1 . . . . . 19 LEU N . 51596 3
90 . 1 . 1 20 20 GLU H H 1 8.425 0.001 . 1 . . . . . 20 GLU H . 51596 3
91 . 1 . 1 20 20 GLU C C 13 179.079 0.000 . 1 . . . . . 20 GLU C . 51596 3
92 . 1 . 1 20 20 GLU CA C 13 58.823 0.004 . 1 . . . . . 20 GLU CA . 51596 3
93 . 1 . 1 20 20 GLU CB C 13 27.913 0.000 . 1 . . . . . 20 GLU CB . 51596 3
94 . 1 . 1 20 20 GLU N N 15 118.511 0.001 . 1 . . . . . 20 GLU N . 51596 3
95 . 1 . 1 21 21 ALA H H 1 7.990 0.000 . 1 . . . . . 21 ALA H . 51596 3
96 . 1 . 1 21 21 ALA C C 13 180.463 0.006 . 1 . . . . . 21 ALA C . 51596 3
97 . 1 . 1 21 21 ALA CA C 13 54.971 0.015 . 1 . . . . . 21 ALA CA . 51596 3
98 . 1 . 1 21 21 ALA CB C 13 18.110 0.000 . 1 . . . . . 21 ALA CB . 51596 3
99 . 1 . 1 21 21 ALA N N 15 122.421 0.000 . 1 . . . . . 21 ALA N . 51596 3
100 . 1 . 1 22 22 LEU H H 1 7.849 0.002 . 1 . . . . . 22 LEU H . 51596 3
101 . 1 . 1 22 22 LEU C C 13 179.386 0.007 . 1 . . . . . 22 LEU C . 51596 3
102 . 1 . 1 22 22 LEU CA C 13 57.923 0.020 . 1 . . . . . 22 LEU CA . 51596 3
103 . 1 . 1 22 22 LEU CB C 13 42.142 0.000 . 1 . . . . . 22 LEU CB . 51596 3
104 . 1 . 1 22 22 LEU N N 15 121.347 0.005 . 1 . . . . . 22 LEU N . 51596 3
105 . 1 . 1 23 23 GLU H H 1 8.313 0.002 . 1 . . . . . 23 GLU H . 51596 3
106 . 1 . 1 23 23 GLU C C 13 178.864 0.006 . 1 . . . . . 23 GLU C . 51596 3
107 . 1 . 1 23 23 GLU CA C 13 58.451 0.036 . 1 . . . . . 23 GLU CA . 51596 3
108 . 1 . 1 23 23 GLU CB C 13 28.018 0.000 . 1 . . . . . 23 GLU CB . 51596 3
109 . 1 . 1 23 23 GLU N N 15 118.317 0.005 . 1 . . . . . 23 GLU N . 51596 3
110 . 1 . 1 24 24 ALA H H 1 8.048 0.001 . 1 . . . . . 24 ALA H . 51596 3
111 . 1 . 1 24 24 ALA C C 13 179.806 0.007 . 1 . . . . . 24 ALA C . 51596 3
112 . 1 . 1 24 24 ALA CA C 13 54.638 0.045 . 1 . . . . . 24 ALA CA . 51596 3
113 . 1 . 1 24 24 ALA CB C 13 18.153 0.000 . 1 . . . . . 24 ALA CB . 51596 3
114 . 1 . 1 24 24 ALA N N 15 122.335 0.007 . 1 . . . . . 24 ALA N . 51596 3
115 . 1 . 1 25 25 ALA H H 1 7.837 0.003 . 1 . . . . . 25 ALA H . 51596 3
116 . 1 . 1 25 25 ALA C C 13 179.940 0.008 . 1 . . . . . 25 ALA C . 51596 3
117 . 1 . 1 25 25 ALA CA C 13 54.313 0.032 . 1 . . . . . 25 ALA CA . 51596 3
118 . 1 . 1 25 25 ALA CB C 13 18.411 0.000 . 1 . . . . . 25 ALA CB . 51596 3
119 . 1 . 1 25 25 ALA N N 15 121.350 0.002 . 1 . . . . . 25 ALA N . 51596 3
120 . 1 . 1 26 26 GLU H H 1 8.033 0.000 . 1 . . . . . 26 GLU H . 51596 3
121 . 1 . 1 26 26 GLU C C 13 177.559 0.004 . 1 . . . . . 26 GLU C . 51596 3
122 . 1 . 1 26 26 GLU CA C 13 57.408 0.005 . 1 . . . . . 26 GLU CA . 51596 3
123 . 1 . 1 26 26 GLU CB C 13 28.326 0.000 . 1 . . . . . 26 GLU CB . 51596 3
124 . 1 . 1 26 26 GLU N N 15 117.220 0.003 . 1 . . . . . 26 GLU N . 51596 3
125 . 1 . 1 27 27 ALA H H 1 7.840 0.000 . 1 . . . . . 27 ALA H . 51596 3
126 . 1 . 1 27 27 ALA C C 13 178.303 0.006 . 1 . . . . . 27 ALA C . 51596 3
127 . 1 . 1 27 27 ALA CA C 13 53.618 0.006 . 1 . . . . . 27 ALA CA . 51596 3
128 . 1 . 1 27 27 ALA CB C 13 18.771 0.000 . 1 . . . . . 27 ALA CB . 51596 3
129 . 1 . 1 27 27 ALA N N 15 122.441 0.005 . 1 . . . . . 27 ALA N . 51596 3
130 . 1 . 1 28 28 ALA H H 1 7.698 0.000 . 1 . . . . . 28 ALA H . 51596 3
131 . 1 . 1 28 28 ALA C C 13 178.022 0.007 . 1 . . . . . 28 ALA C . 51596 3
132 . 1 . 1 28 28 ALA CA C 13 53.016 0.018 . 1 . . . . . 28 ALA CA . 51596 3
133 . 1 . 1 28 28 ALA CB C 13 18.982 0.000 . 1 . . . . . 28 ALA CB . 51596 3
134 . 1 . 1 28 28 ALA N N 15 120.690 0.004 . 1 . . . . . 28 ALA N . 51596 3
135 . 1 . 1 29 29 LYS H H 1 7.735 0.000 . 1 . . . . . 29 LYS H . 51596 3
136 . 1 . 1 29 29 LYS C C 13 176.282 0.004 . 1 . . . . . 29 LYS C . 51596 3
137 . 1 . 1 29 29 LYS CA C 13 56.534 0.010 . 1 . . . . . 29 LYS CA . 51596 3
138 . 1 . 1 29 29 LYS CB C 13 32.853 0.000 . 1 . . . . . 29 LYS CB . 51596 3
139 . 1 . 1 29 29 LYS N N 15 118.801 0.002 . 1 . . . . . 29 LYS N . 51596 3
140 . 1 . 1 30 30 LYS H H 1 7.914 0.001 . 1 . . . . . 30 LYS H . 51596 3
141 . 1 . 1 30 30 LYS C C 13 176.056 0.001 . 1 . . . . . 30 LYS C . 51596 3
142 . 1 . 1 30 30 LYS CA C 13 56.359 0.013 . 1 . . . . . 30 LYS CA . 51596 3
143 . 1 . 1 30 30 LYS CB C 13 33.241 0.000 . 1 . . . . . 30 LYS CB . 51596 3
144 . 1 . 1 30 30 LYS N N 15 121.176 0.001 . 1 . . . . . 30 LYS N . 51596 3
145 . 1 . 1 31 31 TYR H H 1 8.026 0.000 . 1 . . . . . 31 TYR H . 51596 3
146 . 1 . 1 31 31 TYR C C 13 177.471 0.011 . 1 . . . . . 31 TYR C . 51596 3
147 . 1 . 1 31 31 TYR CA C 13 56.923 0.000 . 1 . . . . . 31 TYR CA . 51596 3
148 . 1 . 1 31 31 TYR N N 15 120.863 0.007 . 1 . . . . . 31 TYR N . 51596 3
stop_
save_