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 51596
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name E(P3-7)3_pH74_278K
_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' . . . 51596 1
2 '3D HN(CA)CO' . . . 51596 1
3 '3D HN(CO)CA' . . . 51596 1
4 '3D HNCA' . . . 51596 1
5 '3D HN(CO)CACB' . . . 51596 1
6 '2D CACO' . . . 51596 1
7 '2D CON' . . . 51596 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 . . 51596 1
2 $software_2 . . 51596 1
3 $software_3 . . 51596 1
4 $software_4 . . 51596 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 3 3 PRO C C 13 177.600 0.005 . 1 . . . . . 3 PRO C . 51596 1
2 . 1 . 1 3 3 PRO CA C 13 63.488 0.030 . 1 . . . . . 3 PRO CA . 51596 1
3 . 1 . 1 3 3 PRO CB C 13 32.182 0.000 . 1 . . . . . 3 PRO CB . 51596 1
4 . 1 . 1 4 4 GLY H H 1 8.671 0.002 . 1 . . . . . 4 GLY H . 51596 1
5 . 1 . 1 4 4 GLY C C 13 174.069 0.000 . 1 . . . . . 4 GLY C . 51596 1
6 . 1 . 1 4 4 GLY CA C 13 45.247 0.002 . 1 . . . . . 4 GLY CA . 51596 1
7 . 1 . 1 4 4 GLY N N 15 110.066 0.000 . 1 . . . . . 4 GLY N . 51596 1
8 . 1 . 1 5 5 ALA H H 1 8.254 0.002 . 1 . . . . . 5 ALA H . 51596 1
9 . 1 . 1 5 5 ALA C C 13 178.093 0.006 . 1 . . . . . 5 ALA C . 51596 1
10 . 1 . 1 5 5 ALA CA C 13 52.804 0.019 . 1 . . . . . 5 ALA CA . 51596 1
11 . 1 . 1 5 5 ALA CB C 13 19.543 0.000 . 1 . . . . . 5 ALA CB . 51596 1
12 . 1 . 1 5 5 ALA N N 15 123.952 0.022 . 1 . . . . . 5 ALA N . 51596 1
13 . 1 . 1 6 6 SER H H 1 8.496 0.003 . 1 . . . . . 6 SER H . 51596 1
14 . 1 . 1 6 6 SER C C 13 174.921 0.001 . 1 . . . . . 6 SER C . 51596 1
15 . 1 . 1 6 6 SER CA C 13 58.325 0.008 . 1 . . . . . 6 SER CA . 51596 1
16 . 1 . 1 6 6 SER CB C 13 63.951 0.000 . 1 . . . . . 6 SER CB . 51596 1
17 . 1 . 1 6 6 SER N N 15 115.759 0.000 . 1 . . . . . 6 SER N . 51596 1
18 . 1 . 1 7 7 LEU H H 1 8.475 0.002 . 1 . . . . . 7 LEU H . 51596 1
19 . 1 . 1 7 7 LEU C C 13 178.215 0.004 . 1 . . . . . 7 LEU C . 51596 1
20 . 1 . 1 7 7 LEU CA C 13 56.499 0.011 . 1 . . . . . 7 LEU CA . 51596 1
21 . 1 . 1 7 7 LEU CB C 13 41.891 0.000 . 1 . . . . . 7 LEU CB . 51596 1
22 . 1 . 1 7 7 LEU N N 15 124.314 0.025 . 1 . . . . . 7 LEU N . 51596 1
23 . 1 . 1 8 8 ALA H H 1 8.369 0.002 . 1 . . . . . 8 ALA H . 51596 1
24 . 1 . 1 8 8 ALA C C 13 179.181 0.006 . 1 . . . . . 8 ALA C . 51596 1
25 . 1 . 1 8 8 ALA CA C 13 53.805 0.020 . 1 . . . . . 8 ALA CA . 51596 1
26 . 1 . 1 8 8 ALA CB C 13 18.683 0.000 . 1 . . . . . 8 ALA CB . 51596 1
27 . 1 . 1 8 8 ALA N N 15 123.227 0.017 . 1 . . . . . 8 ALA N . 51596 1
28 . 1 . 1 9 9 ALA H H 1 8.223 0.002 . 1 . . . . . 9 ALA H . 51596 1
29 . 1 . 1 9 9 ALA C C 13 179.628 0.006 . 1 . . . . . 9 ALA C . 51596 1
30 . 1 . 1 9 9 ALA CA C 13 53.973 0.036 . 1 . . . . . 9 ALA CA . 51596 1
31 . 1 . 1 9 9 ALA CB C 13 18.649 0.000 . 1 . . . . . 9 ALA CB . 51596 1
32 . 1 . 1 9 9 ALA N N 15 122.551 0.023 . 1 . . . . . 9 ALA N . 51596 1
33 . 1 . 1 10 10 LEU H H 1 8.190 0.002 . 1 . . . . . 10 LEU H . 51596 1
34 . 1 . 1 10 10 LEU C C 13 179.002 0.007 . 1 . . . . . 10 LEU C . 51596 1
35 . 1 . 1 10 10 LEU CA C 13 57.088 0.034 . 1 . . . . . 10 LEU CA . 51596 1
36 . 1 . 1 10 10 LEU CB C 13 41.850 0.000 . 1 . . . . . 10 LEU CB . 51596 1
37 . 1 . 1 10 10 LEU N N 15 120.959 0.029 . 1 . . . . . 10 LEU N . 51596 1
38 . 1 . 1 11 11 GLU H H 1 8.454 0.002 . 1 . . . . . 11 GLU H . 51596 1
39 . 1 . 1 11 11 GLU C C 13 178.470 0.003 . 1 . . . . . 11 GLU C . 51596 1
40 . 1 . 1 11 11 GLU CA C 13 58.557 0.012 . 1 . . . . . 11 GLU CA . 51596 1
41 . 1 . 1 11 11 GLU CB C 13 29.710 0.000 . 1 . . . . . 11 GLU CB . 51596 1
42 . 1 . 1 11 11 GLU N N 15 120.517 0.021 . 1 . . . . . 11 GLU N . 51596 1
43 . 1 . 1 12 12 ALA H H 1 8.127 0.003 . 1 . . . . . 12 ALA H . 51596 1
44 . 1 . 1 12 12 ALA C C 13 179.740 0.007 . 1 . . . . . 12 ALA C . 51596 1
45 . 1 . 1 12 12 ALA CA C 13 54.199 0.015 . 1 . . . . . 12 ALA CA . 51596 1
46 . 1 . 1 12 12 ALA CB C 13 18.380 0.000 . 1 . . . . . 12 ALA CB . 51596 1
47 . 1 . 1 12 12 ALA N N 15 123.200 0.014 . 1 . . . . . 12 ALA N . 51596 1
48 . 1 . 1 13 13 LEU H H 1 8.028 0.002 . 1 . . . . . 13 LEU H . 51596 1
49 . 1 . 1 13 13 LEU C C 13 179.049 0.003 . 1 . . . . . 13 LEU C . 51596 1
50 . 1 . 1 13 13 LEU CA C 13 57.358 0.011 . 1 . . . . . 13 LEU CA . 51596 1
51 . 1 . 1 13 13 LEU CB C 13 41.968 0.000 . 1 . . . . . 13 LEU CB . 51596 1
52 . 1 . 1 13 13 LEU N N 15 121.132 0.016 . 1 . . . . . 13 LEU N . 51596 1
53 . 1 . 1 14 14 GLU H H 1 8.370 0.001 . 1 . . . . . 14 GLU H . 51596 1
54 . 1 . 1 14 14 GLU C C 13 178.769 0.001 . 1 . . . . . 14 GLU C . 51596 1
55 . 1 . 1 14 14 GLU CA C 13 58.811 0.002 . 1 . . . . . 14 GLU CA . 51596 1
56 . 1 . 1 14 14 GLU CB C 13 29.639 0.000 . 1 . . . . . 14 GLU CB . 51596 1
57 . 1 . 1 14 14 GLU N N 15 120.333 0.017 . 1 . . . . . 14 GLU N . 51596 1
58 . 1 . 1 15 15 ALA H H 1 8.111 0.002 . 1 . . . . . 15 ALA H . 51596 1
59 . 1 . 1 15 15 ALA C C 13 179.960 0.006 . 1 . . . . . 15 ALA C . 51596 1
60 . 1 . 1 15 15 ALA CA C 13 54.363 0.007 . 1 . . . . . 15 ALA CA . 51596 1
61 . 1 . 1 15 15 ALA CB C 13 18.252 0.000 . 1 . . . . . 15 ALA CB . 51596 1
62 . 1 . 1 15 15 ALA N N 15 123.068 0.010 . 1 . . . . . 15 ALA N . 51596 1
63 . 1 . 1 16 16 LEU H H 1 7.985 0.005 . 1 . . . . . 16 LEU H . 51596 1
64 . 1 . 1 16 16 LEU C C 13 179.226 0.004 . 1 . . . . . 16 LEU C . 51596 1
65 . 1 . 1 16 16 LEU CA C 13 57.518 0.003 . 1 . . . . . 16 LEU CA . 51596 1
66 . 1 . 1 16 16 LEU CB C 13 41.977 0.000 . 1 . . . . . 16 LEU CB . 51596 1
67 . 1 . 1 16 16 LEU N N 15 121.250 0.014 . 1 . . . . . 16 LEU N . 51596 1
68 . 1 . 1 17 17 GLU H H 1 8.400 0.001 . 1 . . . . . 17 GLU H . 51596 1
69 . 1 . 1 17 17 GLU C C 13 178.947 0.002 . 1 . . . . . 17 GLU C . 51596 1
70 . 1 . 1 17 17 GLU CA C 13 58.821 0.010 . 1 . . . . . 17 GLU CA . 51596 1
71 . 1 . 1 17 17 GLU CB C 13 29.666 0.000 . 1 . . . . . 17 GLU CB . 51596 1
72 . 1 . 1 17 17 GLU N N 15 120.315 0.016 . 1 . . . . . 17 GLU N . 51596 1
73 . 1 . 1 18 18 ALA H H 1 8.120 0.004 . 1 . . . . . 18 ALA H . 51596 1
74 . 1 . 1 18 18 ALA C C 13 180.039 0.009 . 1 . . . . . 18 ALA C . 51596 1
75 . 1 . 1 18 18 ALA CA C 13 54.386 0.023 . 1 . . . . . 18 ALA CA . 51596 1
76 . 1 . 1 18 18 ALA CB C 13 18.245 0.000 . 1 . . . . . 18 ALA CB . 51596 1
77 . 1 . 1 18 18 ALA N N 15 123.124 0.002 . 1 . . . . . 18 ALA N . 51596 1
78 . 1 . 1 19 19 LEU H H 1 7.980 0.005 . 1 . . . . . 19 LEU H . 51596 1
79 . 1 . 1 19 19 LEU C C 13 179.359 0.007 . 1 . . . . . 19 LEU C . 51596 1
80 . 1 . 1 19 19 LEU CA C 13 57.564 0.039 . 1 . . . . . 19 LEU CA . 51596 1
81 . 1 . 1 19 19 LEU CB C 13 41.984 0.000 . 1 . . . . . 19 LEU CB . 51596 1
82 . 1 . 1 19 19 LEU N N 15 121.266 0.020 . 1 . . . . . 19 LEU N . 51596 1
83 . 1 . 1 20 20 GLU H H 1 8.405 0.002 . 1 . . . . . 20 GLU H . 51596 1
84 . 1 . 1 20 20 GLU C C 13 178.955 0.000 . 1 . . . . . 20 GLU C . 51596 1
85 . 1 . 1 20 20 GLU CA C 13 58.871 0.012 . 1 . . . . . 20 GLU CA . 51596 1
86 . 1 . 1 20 20 GLU CB C 13 29.666 0.000 . 1 . . . . . 20 GLU CB . 51596 1
87 . 1 . 1 20 20 GLU N N 15 120.307 0.011 . 1 . . . . . 20 GLU N . 51596 1
88 . 1 . 1 21 21 ALA H H 1 8.116 0.002 . 1 . . . . . 21 ALA H . 51596 1
89 . 1 . 1 21 21 ALA C C 13 180.270 0.007 . 1 . . . . . 21 ALA C . 51596 1
90 . 1 . 1 21 21 ALA CA C 13 54.404 0.019 . 1 . . . . . 21 ALA CA . 51596 1
91 . 1 . 1 21 21 ALA CB C 13 18.199 0.000 . 1 . . . . . 21 ALA CB . 51596 1
92 . 1 . 1 21 21 ALA N N 15 122.939 0.000 . 1 . . . . . 21 ALA N . 51596 1
93 . 1 . 1 22 22 LEU H H 1 7.995 0.002 . 1 . . . . . 22 LEU H . 51596 1
94 . 1 . 1 22 22 LEU C C 13 179.376 0.003 . 1 . . . . . 22 LEU C . 51596 1
95 . 1 . 1 22 22 LEU CA C 13 57.479 0.030 . 1 . . . . . 22 LEU CA . 51596 1
96 . 1 . 1 22 22 LEU CB C 13 42.012 0.000 . 1 . . . . . 22 LEU CB . 51596 1
97 . 1 . 1 22 22 LEU N N 15 121.742 0.018 . 1 . . . . . 22 LEU N . 51596 1
98 . 1 . 1 23 23 GLU H H 1 8.336 0.001 . 1 . . . . . 23 GLU H . 51596 1
99 . 1 . 1 23 23 GLU C C 13 178.931 0.001 . 1 . . . . . 23 GLU C . 51596 1
100 . 1 . 1 23 23 GLU CA C 13 58.752 0.034 . 1 . . . . . 23 GLU CA . 51596 1
101 . 1 . 1 23 23 GLU CB C 13 29.572 0.000 . 1 . . . . . 23 GLU CB . 51596 1
102 . 1 . 1 23 23 GLU N N 15 120.367 0.018 . 1 . . . . . 23 GLU N . 51596 1
103 . 1 . 1 24 24 ALA H H 1 8.259 0.002 . 1 . . . . . 24 ALA H . 51596 1
104 . 1 . 1 24 24 ALA C C 13 179.803 0.006 . 1 . . . . . 24 ALA C . 51596 1
105 . 1 . 1 24 24 ALA CA C 13 54.308 0.005 . 1 . . . . . 24 ALA CA . 51596 1
106 . 1 . 1 24 24 ALA CB C 13 18.277 0.000 . 1 . . . . . 24 ALA CB . 51596 1
107 . 1 . 1 24 24 ALA N N 15 123.232 0.025 . 1 . . . . . 24 ALA N . 51596 1
108 . 1 . 1 25 25 ALA H H 1 8.055 0.003 . 1 . . . . . 25 ALA H . 51596 1
109 . 1 . 1 25 25 ALA C C 13 180.041 0.002 . 1 . . . . . 25 ALA C . 51596 1
110 . 1 . 1 25 25 ALA CA C 13 54.299 0.040 . 1 . . . . . 25 ALA CA . 51596 1
111 . 1 . 1 25 25 ALA CB C 13 18.447 0.000 . 1 . . . . . 25 ALA CB . 51596 1
112 . 1 . 1 25 25 ALA N N 15 122.159 0.024 . 1 . . . . . 25 ALA N . 51596 1
113 . 1 . 1 26 26 GLU H H 1 8.163 0.003 . 1 . . . . . 26 GLU H . 51596 1
114 . 1 . 1 26 26 GLU C C 13 178.409 0.005 . 1 . . . . . 26 GLU C . 51596 1
115 . 1 . 1 26 26 GLU CA C 13 58.074 0.004 . 1 . . . . . 26 GLU CA . 51596 1
116 . 1 . 1 26 26 GLU CB C 13 29.611 0.000 . 1 . . . . . 26 GLU CB . 51596 1
117 . 1 . 1 26 26 GLU N N 15 118.877 0.004 . 1 . . . . . 26 GLU N . 51596 1
118 . 1 . 1 27 27 ALA H H 1 8.111 0.001 . 1 . . . . . 27 ALA H . 51596 1
119 . 1 . 1 27 27 ALA C C 13 178.776 0.006 . 1 . . . . . 27 ALA C . 51596 1
120 . 1 . 1 27 27 ALA CA C 13 53.905 0.007 . 1 . . . . . 27 ALA CA . 51596 1
121 . 1 . 1 27 27 ALA CB C 13 18.492 0.000 . 1 . . . . . 27 ALA CB . 51596 1
122 . 1 . 1 27 27 ALA N N 15 122.936 0.010 . 1 . . . . . 27 ALA N . 51596 1
123 . 1 . 1 28 28 ALA H H 1 7.787 0.003 . 1 . . . . . 28 ALA H . 51596 1
124 . 1 . 1 28 28 ALA C C 13 178.168 0.005 . 1 . . . . . 28 ALA C . 51596 1
125 . 1 . 1 28 28 ALA CA C 13 52.885 0.007 . 1 . . . . . 28 ALA CA . 51596 1
126 . 1 . 1 28 28 ALA CB C 13 18.819 0.000 . 1 . . . . . 28 ALA CB . 51596 1
127 . 1 . 1 28 28 ALA N N 15 120.153 0.003 . 1 . . . . . 28 ALA N . 51596 1
128 . 1 . 1 29 29 LYS H H 1 7.720 0.003 . 1 . . . . . 29 LYS H . 51596 1
129 . 1 . 1 29 29 LYS C C 13 176.502 0.004 . 1 . . . . . 29 LYS C . 51596 1
130 . 1 . 1 29 29 LYS CA C 13 56.910 0.006 . 1 . . . . . 29 LYS CA . 51596 1
131 . 1 . 1 29 29 LYS CB C 13 33.036 0.000 . 1 . . . . . 29 LYS CB . 51596 1
132 . 1 . 1 29 29 LYS N N 15 119.144 0.021 . 1 . . . . . 29 LYS N . 51596 1
133 . 1 . 1 30 30 LYS H H 1 8.007 0.002 . 1 . . . . . 30 LYS H . 51596 1
134 . 1 . 1 30 30 LYS C C 13 175.350 0.001 . 1 . . . . . 30 LYS C . 51596 1
135 . 1 . 1 30 30 LYS CA C 13 56.105 0.033 . 1 . . . . . 30 LYS CA . 51596 1
136 . 1 . 1 30 30 LYS CB C 13 33.139 0.000 . 1 . . . . . 30 LYS CB . 51596 1
137 . 1 . 1 30 30 LYS N N 15 121.894 0.021 . 1 . . . . . 30 LYS N . 51596 1
138 . 1 . 1 31 31 TYR H H 1 7.756 0.002 . 1 . . . . . 31 TYR H . 51596 1
139 . 1 . 1 31 31 TYR C C 13 180.663 0.007 . 1 . . . . . 31 TYR C . 51596 1
140 . 1 . 1 31 31 TYR CA C 13 59.209 0.000 . 1 . . . . . 31 TYR CA . 51596 1
141 . 1 . 1 31 31 TYR N N 15 126.125 0.018 . 1 . . . . . 31 TYR N . 51596 1
stop_
save_