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 51141
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name H3-145-pH6-25KCl_1
_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 '2D 1H-15N TROSY' . . . 51141 1
2 '3D HNCA' . . . 51141 1
3 '3D HNCO' . . . 51141 1
4 '3D HN(CA)CO' . . . 51141 1
5 '3D HNCACB' . . . 51141 1
6 '3D HN(CO)CACB' . . . 51141 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 . . 51141 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 1 1 ALA C C 13 173.76 0.000 . 1 . . . . . 1 ALA C . 51141 1
2 . 1 . 1 1 1 ALA CA C 13 51.344 0.056 . 1 . . . . . 1 ALA CA . 51141 1
3 . 1 . 1 2 2 ARG H H 1 8.712 0.006 . 1 . . . . . 2 ARG H . 51141 1
4 . 1 . 1 2 2 ARG C C 13 176.458 0.000 . 1 . . . . . 2 ARG C . 51141 1
5 . 1 . 1 2 2 ARG CA C 13 55.921 0.020 . 1 . . . . . 2 ARG CA . 51141 1
6 . 1 . 1 2 2 ARG CB C 13 29.846 0.000 . 1 . . . . . 2 ARG CB . 51141 1
7 . 1 . 1 2 2 ARG N N 15 121.003 0.045 . 1 . . . . . 2 ARG N . 51141 1
8 . 1 . 1 3 3 THR H H 1 8.363 0.000 . 1 . . . . . 3 THR H . 51141 1
9 . 1 . 1 3 3 THR C C 13 174.559 0.000 . 1 . . . . . 3 THR C . 51141 1
10 . 1 . 1 3 3 THR CA C 13 61.532 0.000 . 1 . . . . . 3 THR CA . 51141 1
11 . 1 . 1 3 3 THR N N 15 116.974 0.000 . 1 . . . . . 3 THR N . 51141 1
12 . 1 . 1 4 4 LYS H H 1 8.519 0.004 . 1 . . . . . 4 LYS H . 51141 1
13 . 1 . 1 4 4 LYS C C 13 176.745 0.001 . 1 . . . . . 4 LYS C . 51141 1
14 . 1 . 1 4 4 LYS CA C 13 56.222 0.107 . 1 . . . . . 4 LYS CA . 51141 1
15 . 1 . 1 4 4 LYS CB C 13 32.165 0.055 . 1 . . . . . 4 LYS CB . 51141 1
16 . 1 . 1 4 4 LYS N N 15 124.296 0.102 . 1 . . . . . 4 LYS N . 51141 1
17 . 1 . 1 5 5 GLN H H 1 8.591 0.007 . 1 . . . . . 5 GLN H . 51141 1
18 . 1 . 1 5 5 GLN C C 13 176.333 0.009 . 1 . . . . . 5 GLN C . 51141 1
19 . 1 . 1 5 5 GLN CA C 13 55.792 0.051 . 1 . . . . . 5 GLN CA . 51141 1
20 . 1 . 1 5 5 GLN CB C 13 28.463 0.108 . 1 . . . . . 5 GLN CB . 51141 1
21 . 1 . 1 5 5 GLN N N 15 122.301 0.060 . 1 . . . . . 5 GLN N . 51141 1
22 . 1 . 1 6 6 THR H H 1 8.113 0.009 . 1 . . . . . 6 THR H . 51141 1
23 . 1 . 1 6 6 THR C C 13 174.423 0.027 . 1 . . . . . 6 THR C . 51141 1
24 . 1 . 1 6 6 THR CA C 13 61.672 0.068 . 1 . . . . . 6 THR CA . 51141 1
25 . 1 . 1 6 6 THR CB C 13 69.45 0.025 . 1 . . . . . 6 THR CB . 51141 1
26 . 1 . 1 6 6 THR N N 15 115.602 0.069 . 1 . . . . . 6 THR N . 51141 1
27 . 1 . 1 7 7 ALA H H 1 8.375 0.004 . 1 . . . . . 7 ALA H . 51141 1
28 . 1 . 1 7 7 ALA C C 13 177.798 0.029 . 1 . . . . . 7 ALA C . 51141 1
29 . 1 . 1 7 7 ALA CA C 13 52.228 0.073 . 1 . . . . . 7 ALA CA . 51141 1
30 . 1 . 1 7 7 ALA CB C 13 18.44 0.002 . 1 . . . . . 7 ALA CB . 51141 1
31 . 1 . 1 7 7 ALA N N 15 126.501 0.032 . 1 . . . . . 7 ALA N . 51141 1
32 . 1 . 1 8 8 ARG H H 1 8.298 0.001 . 1 . . . . . 8 ARG H . 51141 1
33 . 1 . 1 8 8 ARG C C 13 176.582 0.009 . 1 . . . . . 8 ARG C . 51141 1
34 . 1 . 1 8 8 ARG CA C 13 55.809 0.013 . 1 . . . . . 8 ARG CA . 51141 1
35 . 1 . 1 8 8 ARG CB C 13 29.918 0.126 . 1 . . . . . 8 ARG CB . 51141 1
36 . 1 . 1 8 8 ARG N N 15 120.605 0.057 . 1 . . . . . 8 ARG N . 51141 1
37 . 1 . 1 9 9 LYS H H 1 8.437 0.010 . 1 . . . . . 9 LYS H . 51141 1
38 . 1 . 1 9 9 LYS C C 13 176.895 0.010 . 1 . . . . . 9 LYS C . 51141 1
39 . 1 . 1 9 9 LYS CA C 13 56.002 0.026 . 1 . . . . . 9 LYS CA . 51141 1
40 . 1 . 1 9 9 LYS CB C 13 32.145 0.050 . 1 . . . . . 9 LYS CB . 51141 1
41 . 1 . 1 9 9 LYS N N 15 123.033 0.042 . 1 . . . . . 9 LYS N . 51141 1
42 . 1 . 1 10 10 SER H H 1 8.442 0.002 . 1 . . . . . 10 SER H . 51141 1
43 . 1 . 1 10 10 SER C C 13 175.147 0.019 . 1 . . . . . 10 SER C . 51141 1
44 . 1 . 1 10 10 SER CA C 13 58.054 0.083 . 1 . . . . . 10 SER CA . 51141 1
45 . 1 . 1 10 10 SER CB C 13 63.571 0.040 . 1 . . . . . 10 SER CB . 51141 1
46 . 1 . 1 10 10 SER N N 15 117.422 0.047 . 1 . . . . . 10 SER N . 51141 1
47 . 1 . 1 11 11 THR H H 1 8.251 0.003 . 1 . . . . . 11 THR H . 51141 1
48 . 1 . 1 11 11 THR C C 13 175.468 0.010 . 1 . . . . . 11 THR C . 51141 1
49 . 1 . 1 11 11 THR CA C 13 61.651 0.030 . 1 . . . . . 11 THR CA . 51141 1
50 . 1 . 1 11 11 THR CB C 13 69.416 0.025 . 1 . . . . . 11 THR CB . 51141 1
51 . 1 . 1 11 11 THR N N 15 115.621 0.041 . 1 . . . . . 11 THR N . 51141 1
52 . 1 . 1 12 12 GLY H H 1 8.454 0.000 . 1 . . . . . 12 GLY H . 51141 1
53 . 1 . 1 12 12 GLY C C 13 174.761 0.029 . 1 . . . . . 12 GLY C . 51141 1
54 . 1 . 1 12 12 GLY CA C 13 45.103 0.068 . 1 . . . . . 12 GLY CA . 51141 1
55 . 1 . 1 12 12 GLY N N 15 111.377 0.040 . 1 . . . . . 12 GLY N . 51141 1
56 . 1 . 1 13 13 GLY H H 1 8.298 0.000 . 1 . . . . . 13 GLY H . 51141 1
57 . 1 . 1 13 13 GLY C C 13 174.009 0.039 . 1 . . . . . 13 GLY C . 51141 1
58 . 1 . 1 13 13 GLY CA C 13 44.91 0.179 . 1 . . . . . 13 GLY CA . 51141 1
59 . 1 . 1 13 13 GLY N N 15 109.237 0.036 . 1 . . . . . 13 GLY N . 51141 1
60 . 1 . 1 14 14 LYS H H 1 8.162 0.001 . 1 . . . . . 14 LYS H . 51141 1
61 . 1 . 1 14 14 LYS C C 13 176.288 0.000 . 1 . . . . . 14 LYS C . 51141 1
62 . 1 . 1 14 14 LYS CA C 13 55.548 0.009 . 1 . . . . . 14 LYS CA . 51141 1
63 . 1 . 1 14 14 LYS CB C 13 32.322 0.000 . 1 . . . . . 14 LYS CB . 51141 1
64 . 1 . 1 14 14 LYS N N 15 121.163 0.030 . 1 . . . . . 14 LYS N . 51141 1
65 . 1 . 1 15 15 ALA H H 1 8.423 0.000 . 1 . . . . . 15 ALA H . 51141 1
66 . 1 . 1 15 15 ALA N N 15 127.106 0.000 . 1 . . . . . 15 ALA N . 51141 1
67 . 1 . 1 17 17 ARG H H 1 8.474 0.000 . 1 . . . . . 17 ARG H . 51141 1
68 . 1 . 1 17 17 ARG C C 13 176.863 0.000 . 1 . . . . . 17 ARG C . 51141 1
69 . 1 . 1 17 17 ARG N N 15 121.809 0.000 . 1 . . . . . 17 ARG N . 51141 1
70 . 1 . 1 18 18 LYS H H 1 8.455 0.000 . 1 . . . . . 18 LYS H . 51141 1
71 . 1 . 1 18 18 LYS CA C 13 56.365 0.012 . 1 . . . . . 18 LYS CA . 51141 1
72 . 1 . 1 18 18 LYS CB C 13 31.995 0.000 . 1 . . . . . 18 LYS CB . 51141 1
73 . 1 . 1 18 18 LYS N N 15 122.998 0.000 . 1 . . . . . 18 LYS N . 51141 1
74 . 1 . 1 19 19 GLN H H 1 8.404 0.011 . 1 . . . . . 19 GLN H . 51141 1
75 . 1 . 1 19 19 GLN CA C 13 55.79 0.043 . 1 . . . . . 19 GLN CA . 51141 1
76 . 1 . 1 19 19 GLN CB C 13 28.46 0.000 . 1 . . . . . 19 GLN CB . 51141 1
77 . 1 . 1 19 19 GLN N N 15 121.737 0.060 . 1 . . . . . 19 GLN N . 51141 1
78 . 1 . 1 20 20 LEU C C 13 177.7 0.000 . 1 . . . . . 20 LEU C . 51141 1
79 . 1 . 1 20 20 LEU CA C 13 55.2 0.019 . 1 . . . . . 20 LEU CA . 51141 1
80 . 1 . 1 21 21 ALA H H 1 8.358 0.003 . 1 . . . . . 21 ALA H . 51141 1
81 . 1 . 1 21 21 ALA C C 13 178.445 0.038 . 1 . . . . . 21 ALA C . 51141 1
82 . 1 . 1 21 21 ALA CA C 13 52.59 0.078 . 1 . . . . . 21 ALA CA . 51141 1
83 . 1 . 1 21 21 ALA CB C 13 18.371 0.052 . 1 . . . . . 21 ALA CB . 51141 1
84 . 1 . 1 21 21 ALA N N 15 124.622 0.033 . 1 . . . . . 21 ALA N . 51141 1
85 . 1 . 1 22 22 THR H H 1 8.041 0.006 . 1 . . . . . 22 THR H . 51141 1
86 . 1 . 1 22 22 THR C C 13 175.129 0.009 . 1 . . . . . 22 THR C . 51141 1
87 . 1 . 1 22 22 THR CA C 13 62.177 0.032 . 1 . . . . . 22 THR CA . 51141 1
88 . 1 . 1 22 22 THR CB C 13 69.234 0.128 . 1 . . . . . 22 THR CB . 51141 1
89 . 1 . 1 22 22 THR N N 15 113.783 0.080 . 1 . . . . . 22 THR N . 51141 1
90 . 1 . 1 23 23 LYS H H 1 8.248 0.003 . 1 . . . . . 23 LYS H . 51141 1
91 . 1 . 1 23 23 LYS C C 13 177.051 0.012 . 1 . . . . . 23 LYS C . 51141 1
92 . 1 . 1 23 23 LYS CA C 13 56.839 0.112 . 1 . . . . . 23 LYS CA . 51141 1
93 . 1 . 1 23 23 LYS CB C 13 32.042 0.002 . 1 . . . . . 23 LYS CB . 51141 1
94 . 1 . 1 23 23 LYS N N 15 123.633 0.051 . 1 . . . . . 23 LYS N . 51141 1
95 . 1 . 1 24 24 ALA H H 1 8.243 0.000 . 1 . . . . . 24 ALA H . 51141 1
96 . 1 . 1 24 24 ALA C C 13 178.202 0.076 . 1 . . . . . 24 ALA C . 51141 1
97 . 1 . 1 24 24 ALA CA C 13 52.609 0.065 . 1 . . . . . 24 ALA CA . 51141 1
98 . 1 . 1 24 24 ALA CB C 13 18.328 0.012 . 1 . . . . . 24 ALA CB . 51141 1
99 . 1 . 1 24 24 ALA N N 15 124.506 0.051 . 1 . . . . . 24 ALA N . 51141 1
100 . 1 . 1 25 25 ALA H H 1 8.142 0.003 . 1 . . . . . 25 ALA H . 51141 1
101 . 1 . 1 25 25 ALA C C 13 178.329 0.000 . 1 . . . . . 25 ALA C . 51141 1
102 . 1 . 1 25 25 ALA CA C 13 52.47 0.104 . 1 . . . . . 25 ALA CA . 51141 1
103 . 1 . 1 25 25 ALA CB C 13 18.323 0.019 . 1 . . . . . 25 ALA CB . 51141 1
104 . 1 . 1 25 25 ALA N N 15 123.046 0.051 . 1 . . . . . 25 ALA N . 51141 1
105 . 1 . 1 26 26 ARG H H 1 8.144 0.002 . 1 . . . . . 26 ARG H . 51141 1
106 . 1 . 1 26 26 ARG C C 13 176.832 0.086 . 1 . . . . . 26 ARG C . 51141 1
107 . 1 . 1 26 26 ARG CA C 13 56.171 0.168 . 1 . . . . . 26 ARG CA . 51141 1
108 . 1 . 1 26 26 ARG CB C 13 29.655 0.109 . 1 . . . . . 26 ARG CB . 51141 1
109 . 1 . 1 26 26 ARG N N 15 120.103 0.015 . 1 . . . . . 26 ARG N . 51141 1
110 . 1 . 1 27 27 LYS H H 1 8.235 0.002 . 1 . . . . . 27 LYS H . 51141 1
111 . 1 . 1 27 27 LYS C C 13 176.745 0.000 . 1 . . . . . 27 LYS C . 51141 1
112 . 1 . 1 27 27 LYS CA C 13 56.253 0.097 . 1 . . . . . 27 LYS CA . 51141 1
113 . 1 . 1 27 27 LYS CB C 13 32.082 0.021 . 1 . . . . . 27 LYS CB . 51141 1
114 . 1 . 1 27 27 LYS N N 15 122.244 0.069 . 1 . . . . . 27 LYS N . 51141 1
115 . 1 . 1 28 28 SER H H 1 8.182 0.003 . 1 . . . . . 28 SER H . 51141 1
116 . 1 . 1 28 28 SER C C 13 173.808 0.027 . 1 . . . . . 28 SER C . 51141 1
117 . 1 . 1 28 28 SER CA C 13 57.843 0.076 . 1 . . . . . 28 SER CA . 51141 1
118 . 1 . 1 28 28 SER CB C 13 63.847 0.009 . 1 . . . . . 28 SER CB . 51141 1
119 . 1 . 1 28 28 SER N N 15 116.816 0.050 . 1 . . . . . 28 SER N . 51141 1
120 . 1 . 1 29 29 ALA H H 1 8.225 0.000 . 1 . . . . . 29 ALA H . 51141 1
121 . 1 . 1 29 29 ALA C C 13 175.476 0.000 . 1 . . . . . 29 ALA C . 51141 1
122 . 1 . 1 29 29 ALA CA C 13 50.317 0.060 . 1 . . . . . 29 ALA CA . 51141 1
123 . 1 . 1 29 29 ALA CB C 13 17.524 0.000 . 1 . . . . . 29 ALA CB . 51141 1
124 . 1 . 1 29 29 ALA N N 15 127.283 0.000 . 1 . . . . . 29 ALA N . 51141 1
125 . 1 . 1 30 30 PRO C C 13 177.066 0.009 . 1 . . . . . 30 PRO C . 51141 1
126 . 1 . 1 30 30 PRO CA C 13 62.71 0.040 . 1 . . . . . 30 PRO CA . 51141 1
127 . 1 . 1 30 30 PRO CB C 13 31.334 0.014 . 1 . . . . . 30 PRO CB . 51141 1
128 . 1 . 1 31 31 ALA H H 1 8.516 0.000 . 1 . . . . . 31 ALA H . 51141 1
129 . 1 . 1 31 31 ALA C C 13 178.314 0.031 . 1 . . . . . 31 ALA C . 51141 1
130 . 1 . 1 31 31 ALA CA C 13 52.325 0.030 . 1 . . . . . 31 ALA CA . 51141 1
131 . 1 . 1 31 31 ALA CB C 13 18.359 0.008 . 1 . . . . . 31 ALA CB . 51141 1
132 . 1 . 1 31 31 ALA N N 15 124.799 0.030 . 1 . . . . . 31 ALA N . 51141 1
133 . 1 . 1 32 32 THR H H 1 8.07 0.000 . 1 . . . . . 32 THR H . 51141 1
134 . 1 . 1 32 32 THR C C 13 175.398 0.013 . 1 . . . . . 32 THR C . 51141 1
135 . 1 . 1 32 32 THR CA C 13 61.475 0.052 . 1 . . . . . 32 THR CA . 51141 1
136 . 1 . 1 32 32 THR CB C 13 69.463 0.006 . 1 . . . . . 32 THR CB . 51141 1
137 . 1 . 1 32 32 THR N N 15 112.586 0.025 . 1 . . . . . 32 THR N . 51141 1
138 . 1 . 1 33 33 GLY H H 1 8.368 0.000 . 1 . . . . . 33 GLY H . 51141 1
139 . 1 . 1 33 33 GLY C C 13 174.585 0.001 . 1 . . . . . 33 GLY C . 51141 1
140 . 1 . 1 33 33 GLY CA C 13 44.974 0.105 . 1 . . . . . 33 GLY CA . 51141 1
141 . 1 . 1 33 33 GLY N N 15 111.338 0.000 . 1 . . . . . 33 GLY N . 51141 1
142 . 1 . 1 34 34 GLY H H 1 8.204 0.000 . 1 . . . . . 34 GLY H . 51141 1
143 . 1 . 1 34 34 GLY C C 13 173.813 0.001 . 1 . . . . . 34 GLY C . 51141 1
144 . 1 . 1 34 34 GLY CA C 13 44.522 0.048 . 1 . . . . . 34 GLY CA . 51141 1
145 . 1 . 1 34 34 GLY N N 15 109.212 0.022 . 1 . . . . . 34 GLY N . 51141 1
146 . 1 . 1 35 35 VAL H H 1 8.04 0.000 . 1 . . . . . 35 VAL H . 51141 1
147 . 1 . 1 35 35 VAL C C 13 176.104 0.026 . 1 . . . . . 35 VAL C . 51141 1
148 . 1 . 1 35 35 VAL CA C 13 61.734 0.060 . 1 . . . . . 35 VAL CA . 51141 1
149 . 1 . 1 35 35 VAL CB C 13 32.072 0.002 . 1 . . . . . 35 VAL CB . 51141 1
150 . 1 . 1 35 35 VAL N N 15 119.895 0.000 . 1 . . . . . 35 VAL N . 51141 1
151 . 1 . 1 36 36 LYS H H 1 8.361 0.002 . 1 . . . . . 36 LYS H . 51141 1
152 . 1 . 1 36 36 LYS CA C 13 55.277 0.010 . 1 . . . . . 36 LYS CA . 51141 1
153 . 1 . 1 36 36 LYS CB C 13 32.522 0.000 . 1 . . . . . 36 LYS CB . 51141 1
154 . 1 . 1 36 36 LYS N N 15 126.386 0.046 . 1 . . . . . 36 LYS N . 51141 1
stop_
save_