Content for NMR-STAR saveframe, "assigned_chemical_shifts_21"
save_assigned_chemical_shifts_21
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_21
_Assigned_chem_shift_list.Entry_ID 51178
_Assigned_chem_shift_list.ID 21
_Assigned_chem_shift_list.Name 21
_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 HSQC' . . . 51178 21
6 '3D HNCO' . . . 51178 21
7 '3D HN(CA)CO' . . . 51178 21
8 '3D HNCACB' . . . 51178 21
9 '3D HN(CO)CACB' . . . 51178 21
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 . . 51178 21
2 $software_2 . . 51178 21
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 2 2 PRO C C 13 177.54 0.028 . 1 . . . . . -2 PRO C . 51178 21
2 . 1 . 1 2 2 PRO CA C 13 62.888 0.008 . 1 . . . . . -2 PRO CA . 51178 21
3 . 1 . 1 2 2 PRO CB C 13 31.448 0.001 . 1 . . . . . -2 PRO CB . 51178 21
4 . 1 . 1 3 3 GLY H H 1 8.63 0.005 . 1 . . . . . -1 GLY H . 51178 21
5 . 1 . 1 3 3 GLY C C 13 174.371 0.013 . 1 . . . . . -1 GLY C . 51178 21
6 . 1 . 1 3 3 GLY CA C 13 45.035 0.014 . 1 . . . . . -1 GLY CA . 51178 21
7 . 1 . 1 3 3 GLY N N 15 110.153 0.019 . 1 . . . . . -1 GLY N . 51178 21
8 . 1 . 1 4 4 MET H H 1 8.3 0.002 . 1 . . . . . 0 MET H . 51178 21
9 . 1 . 1 4 4 MET C C 13 176.665 0.015 . 1 . . . . . 0 MET C . 51178 21
10 . 1 . 1 4 4 MET CA C 13 55.19 0.025 . 1 . . . . . 0 MET CA . 51178 21
11 . 1 . 1 4 4 MET CB C 13 32.093 0.022 . 1 . . . . . 0 MET CB . 51178 21
12 . 1 . 1 4 4 MET N N 15 120.393 0.045 . 1 . . . . . 0 MET N . 51178 21
13 . 1 . 1 5 5 SER H H 1 8.395 0.006 . 1 . . . . . 1 SER H . 51178 21
14 . 1 . 1 5 5 SER C C 13 175.249 0.039 . 1 . . . . . 1 SER C . 51178 21
15 . 1 . 1 5 5 SER CA C 13 58.402 0.068 . 1 . . . . . 1 SER CA . 51178 21
16 . 1 . 1 5 5 SER CB C 13 63.49 0.033 . 1 . . . . . 1 SER CB . 51178 21
17 . 1 . 1 5 5 SER N N 15 117.317 0.035 . 1 . . . . . 1 SER N . 51178 21
18 . 1 . 1 6 6 GLY H H 1 8.471 0.002 . 1 . . . . . 2 GLY H . 51178 21
19 . 1 . 1 6 6 GLY C C 13 174.318 0.006 . 1 . . . . . 2 GLY C . 51178 21
20 . 1 . 1 6 6 GLY CA C 13 45.021 0.142 . 1 . . . . . 2 GLY CA . 51178 21
21 . 1 . 1 6 6 GLY N N 15 111.198 0.042 . 1 . . . . . 2 GLY N . 51178 21
22 . 1 . 1 7 7 ARG H H 1 8.174 0.002 . 1 . . . . . 3 ARG H . 51178 21
23 . 1 . 1 7 7 ARG C C 13 177.045 0.008 . 1 . . . . . 3 ARG C . 51178 21
24 . 1 . 1 7 7 ARG CA C 13 55.865 0.014 . 1 . . . . . 3 ARG CA . 51178 21
25 . 1 . 1 7 7 ARG CB C 13 29.802 0.095 . 1 . . . . . 3 ARG CB . 51178 21
26 . 1 . 1 7 7 ARG N N 15 120.688 0.019 . 1 . . . . . 3 ARG N . 51178 21
27 . 1 . 1 8 8 GLY H H 1 8.496 0.003 . 1 . . . . . 4 GLY H . 51178 21
28 . 1 . 1 8 8 GLY C C 13 174.276 0.003 . 1 . . . . . 4 GLY C . 51178 21
29 . 1 . 1 8 8 GLY CA C 13 44.888 0.018 . 1 . . . . . 4 GLY CA . 51178 21
30 . 1 . 1 8 8 GLY N N 15 110.174 0.039 . 1 . . . . . 4 GLY N . 51178 21
31 . 1 . 1 9 9 LYS H H 1 8.261 0.004 . 1 . . . . . 5 LYS H . 51178 21
32 . 1 . 1 9 9 LYS C C 13 177.034 0.024 . 1 . . . . . 5 LYS C . 51178 21
33 . 1 . 1 9 9 LYS CA C 13 56.148 0.296 . 1 . . . . . 5 LYS CA . 51178 21
34 . 1 . 1 9 9 LYS CB C 13 31.916 0.204 . 1 . . . . . 5 LYS CB . 51178 21
35 . 1 . 1 9 9 LYS N N 15 121.363 0.035 . 1 . . . . . 5 LYS N . 51178 21
36 . 1 . 1 10 10 GLN H H 1 8.549 0.004 . 1 . . . . . 6 GLN H . 51178 21
37 . 1 . 1 10 10 GLN C C 13 176.659 0.021 . 1 . . . . . 6 GLN C . 51178 21
38 . 1 . 1 10 10 GLN CA C 13 55.42 0.263 . 1 . . . . . 6 GLN CA . 51178 21
39 . 1 . 1 10 10 GLN CB C 13 28.445 0.053 . 1 . . . . . 6 GLN CB . 51178 21
40 . 1 . 1 10 10 GLN N N 15 121.81 0.054 . 1 . . . . . 6 GLN N . 51178 21
41 . 1 . 1 11 11 GLY H H 1 8.423 0.002 . 1 . . . . . 7 GLY H . 51178 21
42 . 1 . 1 11 11 GLY C C 13 174.754 0.008 . 1 . . . . . 7 GLY C . 51178 21
43 . 1 . 1 11 11 GLY CA C 13 45.133 0.052 . 1 . . . . . 7 GLY CA . 51178 21
44 . 1 . 1 11 11 GLY N N 15 110.397 0.102 . 1 . . . . . 7 GLY N . 51178 21
45 . 1 . 1 12 12 GLY H H 1 8.305 0.003 . 1 . . . . . 8 GLY H . 51178 21
46 . 1 . 1 12 12 GLY C C 13 174.025 0.000 . 1 . . . . . 8 GLY C . 51178 21
47 . 1 . 1 12 12 GLY CA C 13 44.972 0.000 . 1 . . . . . 8 GLY CA . 51178 21
48 . 1 . 1 12 12 GLY N N 15 109.297 0.032 . 1 . . . . . 8 GLY N . 51178 21
49 . 1 . 1 13 13 LYS H H 1 8.174 0.000 . 1 . . . . . 9 LYS H . 51178 21
50 . 1 . 1 13 13 LYS N N 15 121.308 0.000 . 1 . . . . . 9 LYS N . 51178 21
51 . 1 . 1 123 123 LYS C C 13 176.892 0.000 . 1 . . . . . 119 LYS C . 51178 21
52 . 1 . 1 123 123 LYS CA C 13 56.048 0.000 . 1 . . . . . 119 LYS CA . 51178 21
53 . 1 . 1 123 123 LYS CB C 13 31.979 0.000 . 1 . . . . . 119 LYS CB . 51178 21
54 . 1 . 1 124 124 THR H H 1 8.231 0.004 . 1 . . . . . 120 THR H . 51178 21
55 . 1 . 1 124 124 THR C C 13 174.503 0.009 . 1 . . . . . 120 THR C . 51178 21
56 . 1 . 1 124 124 THR CA C 13 61.329 0.104 . 1 . . . . . 120 THR CA . 51178 21
57 . 1 . 1 124 124 THR CB C 13 69.534 0.026 . 1 . . . . . 120 THR CB . 51178 21
58 . 1 . 1 124 124 THR N N 15 116.315 0.072 . 1 . . . . . 120 THR N . 51178 21
59 . 1 . 1 125 125 GLU H H 1 8.504 0.004 . 1 . . . . . 121 GLU H . 51178 21
60 . 1 . 1 125 125 GLU C C 13 176.417 0.020 . 1 . . . . . 121 GLU C . 51178 21
61 . 1 . 1 125 125 GLU CA C 13 56.075 0.167 . 1 . . . . . 121 GLU CA . 51178 21
62 . 1 . 1 125 125 GLU CB C 13 29.528 0.037 . 1 . . . . . 121 GLU CB . 51178 21
63 . 1 . 1 125 125 GLU N N 15 123.745 0.072 . 1 . . . . . 121 GLU N . 51178 21
64 . 1 . 1 126 126 SER H H 1 8.35 0.002 . 1 . . . . . 122 SER H . 51178 21
65 . 1 . 1 126 126 SER C C 13 174.568 0.009 . 1 . . . . . 122 SER C . 51178 21
66 . 1 . 1 126 126 SER CA C 13 58.239 0.148 . 1 . . . . . 122 SER CA . 51178 21
67 . 1 . 1 126 126 SER CB C 13 63.707 0.271 . 1 . . . . . 122 SER CB . 51178 21
68 . 1 . 1 126 126 SER N N 15 117.491 0.050 . 1 . . . . . 122 SER N . 51178 21
69 . 1 . 1 127 127 HIS H H 1 8.58 0.004 . 1 . . . . . 123 HIS H . 51178 21
70 . 1 . 1 127 127 HIS C C 13 174.348 0.031 . 1 . . . . . 123 HIS C . 51178 21
71 . 1 . 1 127 127 HIS CA C 13 55.087 0.022 . 1 . . . . . 123 HIS CA . 51178 21
72 . 1 . 1 127 127 HIS CB C 13 28.338 0.148 . 1 . . . . . 123 HIS CB . 51178 21
73 . 1 . 1 127 127 HIS N N 15 120.884 0.074 . 1 . . . . . 123 HIS N . 51178 21
74 . 1 . 1 128 128 HIS H H 1 8.461 0.003 . 1 . . . . . 124 HIS H . 51178 21
75 . 1 . 1 128 128 HIS C C 13 174.313 0.000 . 1 . . . . . 124 HIS C . 51178 21
76 . 1 . 1 128 128 HIS CA C 13 55.167 0.000 . 1 . . . . . 124 HIS CA . 51178 21
77 . 1 . 1 128 128 HIS CB C 13 28.732 0.000 . 1 . . . . . 124 HIS CB . 51178 21
78 . 1 . 1 128 128 HIS N N 15 119.977 0.061 . 1 . . . . . 124 HIS N . 51178 21
79 . 1 . 1 129 129 LYS H H 1 8.425 0.000 . 1 . . . . . 125 LYS H . 51178 21
80 . 1 . 1 129 129 LYS C C 13 176.205 0.028 . 1 . . . . . 125 LYS C . 51178 21
81 . 1 . 1 129 129 LYS CA C 13 55.858 0.033 . 1 . . . . . 125 LYS CA . 51178 21
82 . 1 . 1 129 129 LYS CB C 13 32.148 0.022 . 1 . . . . . 125 LYS CB . 51178 21
83 . 1 . 1 129 129 LYS N N 15 123.945 0.000 . 1 . . . . . 125 LYS N . 51178 21
84 . 1 . 1 130 130 ALA H H 1 8.434 0.005 . 1 . . . . . 126 ALA H . 51178 21
85 . 1 . 1 130 130 ALA C C 13 177.733 0.015 . 1 . . . . . 126 ALA C . 51178 21
86 . 1 . 1 130 130 ALA CA C 13 51.99 0.019 . 1 . . . . . 126 ALA CA . 51178 21
87 . 1 . 1 130 130 ALA CB C 13 18.451 0.010 . 1 . . . . . 126 ALA CB . 51178 21
88 . 1 . 1 130 130 ALA N N 15 126.4 0.068 . 1 . . . . . 126 ALA N . 51178 21
89 . 1 . 1 131 131 LYS H H 1 8.383 0.002 . 1 . . . . . 127 LYS H . 51178 21
90 . 1 . 1 131 131 LYS C C 13 177.322 0.057 . 1 . . . . . 127 LYS C . 51178 21
91 . 1 . 1 131 131 LYS CA C 13 56.326 0.045 . 1 . . . . . 127 LYS CA . 51178 21
92 . 1 . 1 131 131 LYS CB C 13 32.065 0.010 . 1 . . . . . 127 LYS CB . 51178 21
93 . 1 . 1 131 131 LYS N N 15 121.551 0.036 . 1 . . . . . 127 LYS N . 51178 21
94 . 1 . 1 132 132 GLY H H 1 8.449 0.002 . 1 . . . . . 128 GLY H . 51178 21
95 . 1 . 1 132 132 GLY C C 13 173.222 0.012 . 1 . . . . . 128 GLY C . 51178 21
96 . 1 . 1 132 132 GLY CA C 13 44.956 0.040 . 1 . . . . . 128 GLY CA . 51178 21
97 . 1 . 1 132 132 GLY N N 15 111.14 0.027 . 1 . . . . . 128 GLY N . 51178 21
98 . 1 . 1 133 133 LYS H H 1 7.798 0.002 . 1 . . . . . 129 LYS H . 51178 21
99 . 1 . 1 133 133 LYS C C 13 181.527 0.000 . 1 . . . . . 129 LYS C . 51178 21
100 . 1 . 1 133 133 LYS CA C 13 57.01 0.000 . 1 . . . . . 129 LYS CA . 51178 21
101 . 1 . 1 133 133 LYS CB C 13 32.701 0.000 . 1 . . . . . 129 LYS CB . 51178 21
102 . 1 . 1 133 133 LYS N N 15 126.215 0.067 . 1 . . . . . 129 LYS N . 51178 21
stop_
save_