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 50805
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'H3 tetrasome'
_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' . . . 50805 1
2 '3D HNCACB' . . . 50805 1
3 '3D CBCA(CO)NH' . . . 50805 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 . . 50805 1
2 $software_2 . . 50805 1
3 $software_3 . . 50805 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 2 2 ARG CA C 13 56.44016 0.08289 . 1 . . . . . 2 R CA . 50805 1
2 . 1 . 1 2 2 ARG CB C 13 30.98784 0.00419 . 1 . . . . . 2 R CB . 50805 1
3 . 1 . 1 3 3 THR H H 1 8.34685 0.00195 . 1 . . . . . 3 T HN . 50805 1
4 . 1 . 1 3 3 THR CA C 13 62.05619 0.08196 . 1 . . . . . 3 T CA . 50805 1
5 . 1 . 1 3 3 THR CB C 13 70.11773 0.00348 . 1 . . . . . 3 T CB . 50805 1
6 . 1 . 1 3 3 THR N N 15 116.48244 0.00914 . 1 . . . . . 3 T N . 50805 1
7 . 1 . 1 4 4 LYS H H 1 8.48074 9.83E-04 . 1 . . . . . 4 K HN . 50805 1
8 . 1 . 1 4 4 LYS CA C 13 56.54619 0.05681 . 1 . . . . . 4 K CA . 50805 1
9 . 1 . 1 4 4 LYS CB C 13 33.2666 0.01849 . 1 . . . . . 4 K CB . 50805 1
10 . 1 . 1 4 4 LYS N N 15 124.08532 0.02388 . 1 . . . . . 4 K N . 50805 1
11 . 1 . 1 5 5 GLN H H 1 8.60315 9.15E-04 . 1 . . . . . 5 Q HN . 50805 1
12 . 1 . 1 5 5 GLN CA C 13 56.10097 0.05992 . 1 . . . . . 5 Q CA . 50805 1
13 . 1 . 1 5 5 GLN CB C 13 29.58764 0.02261 . 1 . . . . . 5 Q CB . 50805 1
14 . 1 . 1 5 5 GLN N N 15 122.19596 0.00608 . 1 . . . . . 5 Q N . 50805 1
15 . 1 . 1 6 6 THR H H 1 8.15808 9.02E-04 . 1 . . . . . 6 T HN . 50805 1
16 . 1 . 1 6 6 THR CA C 13 62.08765 0.08291 . 1 . . . . . 6 T CA . 50805 1
17 . 1 . 1 6 6 THR CB C 13 69.91592 0.01352 . 1 . . . . . 6 T CB . 50805 1
18 . 1 . 1 6 6 THR N N 15 115.42353 0.00284 . 1 . . . . . 6 T N . 50805 1
19 . 1 . 1 7 7 ALA H H 1 8.33971 6.54E-04 . 1 . . . . . 7 A HN . 50805 1
20 . 1 . 1 7 7 ALA CA C 13 52.5427 0.02825 . 1 . . . . . 7 A CA . 50805 1
21 . 1 . 1 7 7 ALA CB C 13 19.42465 0.0194 . 1 . . . . . 7 A CB . 50805 1
22 . 1 . 1 7 7 ALA N N 15 126.472 0.00576 . 1 . . . . . 7 A N . 50805 1
23 . 1 . 1 8 8 ARG H H 1 8.32236 3.13E-04 . 5 . . . . . 8 R HN . 50805 1
24 . 1 . 1 8 8 ARG CA C 13 56.22141 0.03243 . 5 . . . . . 8 R CA . 50805 1
25 . 1 . 1 8 8 ARG CB C 13 30.98781 0.01613 . 5 . . . . . 8 R CB . 50805 1
26 . 1 . 1 8 8 ARG N N 15 120.73563 0.00839 . 5 . . . . . 8 R N . 50805 1
27 . 1 . 1 9 9 LYS H H 1 8.45952 0.00164 . 5 . . . . . 9 K HN . 50805 1
28 . 1 . 1 9 9 LYS CA C 13 56.5237 0.07809 . 5 . . . . . 9 K CA . 50805 1
29 . 1 . 1 9 9 LYS CB C 13 33.27277 0.01903 . 5 . . . . . 9 K CB . 50805 1
30 . 1 . 1 9 9 LYS N N 15 122.8796 0.00663 . 5 . . . . . 9 K N . 50805 1
31 . 1 . 1 10 10 SER H H 1 8.41672 6.80E-04 . 1 . . . . . 10 S HN . 50805 1
32 . 1 . 1 10 10 SER CA C 13 58.33476 0.09567 . 1 . . . . . 10 S CA . 50805 1
33 . 1 . 1 10 10 SER CB C 13 63.92577 0.02319 . 1 . . . . . 10 S CB . 50805 1
34 . 1 . 1 10 10 SER N N 15 117.07954 0.00954 . 1 . . . . . 10 S N . 50805 1
35 . 1 . 1 11 11 THR H H 1 8.25373 8.12E-04 . 1 . . . . . 11 T HN . 50805 1
36 . 1 . 1 11 11 THR CA C 13 62.00268 0.07616 . 1 . . . . . 11 T CA . 50805 1
37 . 1 . 1 11 11 THR CB C 13 69.89066 0.01005 . 1 . . . . . 11 T CB . 50805 1
38 . 1 . 1 11 11 THR N N 15 115.28354 0.00622 . 1 . . . . . 11 T N . 50805 1
39 . 1 . 1 12 12 GLY H H 1 8.43567 0.00243 . 5 . . . . . 12 G HN . 50805 1
40 . 1 . 1 12 12 GLY CA C 13 45.5256 0.01568 . 5 . . . . . 12 G CA . 50805 1
41 . 1 . 1 12 12 GLY N N 15 110.91013 0.00279 . 5 . . . . . 12 G N . 50805 1
42 . 1 . 1 13 13 GLY H H 1 8.29657 1.26E-04 . 9 . . . . . 13 G HN . 50805 1
43 . 1 . 1 13 13 GLY CA C 13 45.29143 0.04275 . 9 . . . . . 13 G CA . 50805 1
44 . 1 . 1 13 13 GLY N N 15 108.79694 0 . 9 . . . . . 13 G N . 50805 1
45 . 1 . 1 14 14 LYS H H 1 8.18879 1.73E-04 . 1 . . . . . 14 K HN . 50805 1
46 . 1 . 1 14 14 LYS CA C 13 56.01362 0.01252 . 1 . . . . . 14 K CA . 50805 1
47 . 1 . 1 14 14 LYS CB C 13 33.40674 0.03774 . 1 . . . . . 14 K CB . 50805 1
48 . 1 . 1 14 14 LYS N N 15 120.81748 0.0034 . 1 . . . . . 14 K N . 50805 1
49 . 1 . 1 15 15 ALA H H 1 8.40237 0.00121 . 1 . . . . . 15 A HN . 50805 1
50 . 1 . 1 15 15 ALA CA C 13 50.61955 0 . 1 . . . . . 15 A CA . 50805 1
51 . 1 . 1 15 15 ALA CB C 13 18.31933 0 . 1 . . . . . 15 A CB . 50805 1
52 . 1 . 1 15 15 ALA N N 15 126.8853 0.00814 . 1 . . . . . 15 A N . 50805 1
53 . 1 . 1 16 16 PRO CA C 13 63.02873 0.01247 . 1 . . . . . 16 P CA . 50805 1
54 . 1 . 1 16 16 PRO CB C 13 32.14671 0.04798 . 1 . . . . . 16 P CB . 50805 1
55 . 1 . 1 17 17 ARG H H 1 8.46176 6.75E-04 . 1 . . . . . 17 R HN . 50805 1
56 . 1 . 1 17 17 ARG CA C 13 56.36946 0.02558 . 1 . . . . . 17 R CA . 50805 1
57 . 1 . 1 17 17 ARG CB C 13 30.95497 0.0173 . 1 . . . . . 17 R CB . 50805 1
58 . 1 . 1 17 17 ARG N N 15 121.57586 0.00656 . 1 . . . . . 17 R N . 50805 1
59 . 1 . 1 18 18 LYS H H 1 8.42374 9.41E-04 . 5 . . . . . 18 K HN . 50805 1
60 . 1 . 1 18 18 LYS CA C 13 56.59588 0.02983 . 5 . . . . . 18 K CA . 50805 1
61 . 1 . 1 18 18 LYS CB C 13 33.20082 0.01663 . 5 . . . . . 18 K CB . 50805 1
62 . 1 . 1 18 18 LYS N N 15 122.53109 0.00721 . 5 . . . . . 18 K N . 50805 1
63 . 1 . 1 19 19 GLN H H 1 8.39582 0.00124 . 1 . . . . . 19 Q HN . 50805 1
64 . 1 . 1 19 19 GLN CA C 13 55.9364 0.03939 . 1 . . . . . 19 Q CA . 50805 1
65 . 1 . 1 19 19 GLN CB C 13 29.60316 0.04381 . 1 . . . . . 19 Q CB . 50805 1
66 . 1 . 1 19 19 GLN N N 15 121.57602 0.00604 . 1 . . . . . 19 Q N . 50805 1
67 . 1 . 1 20 20 LEU H H 1 8.2934 0.00117 . 1 . . . . . 20 L HN . 50805 1
68 . 1 . 1 20 20 LEU CA C 13 55.33332 0.08035 . 1 . . . . . 20 L CA . 50805 1
69 . 1 . 1 20 20 LEU CB C 13 42.62343 0.03296 . 1 . . . . . 20 L CB . 50805 1
70 . 1 . 1 20 20 LEU N N 15 123.76889 0.00489 . 1 . . . . . 20 L N . 50805 1
71 . 1 . 1 21 21 ALA H H 1 8.35233 4.57E-04 . 1 . . . . . 21 A HN . 50805 1
72 . 1 . 1 21 21 ALA CA C 13 52.69478 0.017 . 1 . . . . . 21 A CA . 50805 1
73 . 1 . 1 21 21 ALA CB C 13 19.33652 0.01583 . 1 . . . . . 21 A CB . 50805 1
74 . 1 . 1 21 21 ALA N N 15 124.72729 0.00541 . 1 . . . . . 21 A N . 50805 1
75 . 1 . 1 22 22 THR H H 1 8.01021 3.83E-04 . 1 . . . . . 22 T HN . 50805 1
76 . 1 . 1 22 22 THR CA C 13 62.07272 0.10056 . 1 . . . . . 22 T CA . 50805 1
77 . 1 . 1 22 22 THR CB C 13 69.94889 0.03428 . 1 . . . . . 22 T CB . 50805 1
78 . 1 . 1 22 22 THR N N 15 113.12627 0.00349 . 1 . . . . . 22 T N . 50805 1
79 . 1 . 1 23 23 LYS H H 1 8.31132 8.63E-04 . 1 . . . . . 23 K HN . 50805 1
80 . 1 . 1 23 23 LYS CA C 13 56.76202 0.03981 . 1 . . . . . 23 K CA . 50805 1
81 . 1 . 1 23 23 LYS CB C 13 33.07425 0.01905 . 1 . . . . . 23 K CB . 50805 1
82 . 1 . 1 23 23 LYS N N 15 123.56149 0.02179 . 1 . . . . . 23 K N . 50805 1
83 . 1 . 1 24 24 ALA H H 1 8.28819 3.51E-04 . 1 . . . . . 24 A HN . 50805 1
84 . 1 . 1 24 24 ALA CA C 13 52.64175 0.03076 . 1 . . . . . 24 A CA . 50805 1
85 . 1 . 1 24 24 ALA CB C 13 19.34195 0.01649 . 1 . . . . . 24 A CB . 50805 1
86 . 1 . 1 24 24 ALA N N 15 124.9181 0.01299 . 1 . . . . . 24 A N . 50805 1
87 . 1 . 1 25 25 ALA H H 1 8.17983 3.11E-04 . 1 . . . . . 25 A HN . 50805 1
88 . 1 . 1 25 25 ALA CA C 13 52.58621 0.04669 . 1 . . . . . 25 A CA . 50805 1
89 . 1 . 1 25 25 ALA CB C 13 19.32658 0.01508 . 1 . . . . . 25 A CB . 50805 1
90 . 1 . 1 25 25 ALA N N 15 123.22048 0.00334 . 1 . . . . . 25 A N . 50805 1
91 . 1 . 1 26 26 ARG H H 1 8.25311 0.00105 . 5 . . . . . 26 R HN . 50805 1
92 . 1 . 1 26 26 ARG CA C 13 56.33953 0.0392 . 5 . . . . . 26 R CA . 50805 1
93 . 1 . 1 26 26 ARG CB C 13 30.96777 0.04066 . 5 . . . . . 26 R CB . 50805 1
94 . 1 . 1 26 26 ARG N N 15 120.23621 0.00392 . 5 . . . . . 26 R N . 50805 1
95 . 1 . 1 27 27 LYS H H 1 8.371 0.00175 . 5 . . . . . 27 K HN . 50805 1
96 . 1 . 1 27 27 LYS CA C 13 56.59249 0.11457 . 5 . . . . . 27 K CA . 50805 1
97 . 1 . 1 27 27 LYS CB C 13 33.19717 0.01398 . 5 . . . . . 27 K CB . 50805 1
98 . 1 . 1 27 27 LYS N N 15 122.38665 0.01208 . 5 . . . . . 27 K N . 50805 1
99 . 1 . 1 28 28 SER H H 1 8.238 0.00145 . 1 . . . . . 28 S HN . 50805 1
100 . 1 . 1 28 28 SER CA C 13 58.20679 0.05151 . 1 . . . . . 28 S CA . 50805 1
101 . 1 . 1 28 28 SER CB C 13 64.13233 0.00737 . 1 . . . . . 28 S CB . 50805 1
102 . 1 . 1 28 28 SER N N 15 116.81295 0.00685 . 1 . . . . . 28 S N . 50805 1
103 . 1 . 1 29 29 ALA H H 1 8.27135 5.05E-04 . 1 . . . . . 29 A HN . 50805 1
104 . 1 . 1 29 29 ALA CA C 13 50.68209 0 . 1 . . . . . 29 A CA . 50805 1
105 . 1 . 1 29 29 ALA CB C 13 18.44742 0 . 1 . . . . . 29 A CB . 50805 1
106 . 1 . 1 29 29 ALA N N 15 126.90348 0.00528 . 1 . . . . . 29 A N . 50805 1
107 . 1 . 1 30 30 PRO CA C 13 63.16882 0.00759 . 1 . . . . . 30 P CA . 50805 1
108 . 1 . 1 30 30 PRO CB C 13 32.15065 0.03931 . 1 . . . . . 30 P CB . 50805 1
109 . 1 . 1 31 31 ALA H H 1 8.47234 0.00103 . 1 . . . . . 31 A HN . 50805 1
110 . 1 . 1 31 31 ALA CA C 13 52.68721 0.01276 . 1 . . . . . 31 A CA . 50805 1
111 . 1 . 1 31 31 ALA CB C 13 19.20034 0.03184 . 1 . . . . . 31 A CB . 50805 1
112 . 1 . 1 31 31 ALA N N 15 124.4092 0.00568 . 1 . . . . . 31 A N . 50805 1
113 . 1 . 1 32 32 THR H H 1 8.0858 1.73E-04 . 1 . . . . . 32 T HN . 50805 1
114 . 1 . 1 32 32 THR CA C 13 61.89923 0.04745 . 1 . . . . . 32 T CA . 50805 1
115 . 1 . 1 32 32 THR CB C 13 69.97217 0.01938 . 1 . . . . . 32 T CB . 50805 1
116 . 1 . 1 32 32 THR N N 15 112.40905 0.00185 . 1 . . . . . 32 T N . 50805 1
117 . 1 . 1 33 33 GLY H H 1 8.39704 0.00207 . 5 . . . . . 33 G HN . 50805 1
118 . 1 . 1 33 33 GLY CA C 13 45.52309 0.00997 . 5 . . . . . 33 G CA . 50805 1
119 . 1 . 1 33 33 GLY N N 15 110.88766 0.00477 . 5 . . . . . 33 G N . 50805 1
120 . 1 . 1 34 34 GLY H H 1 8.28783 2.32E-04 . 9 . . . . . 34 G HN . 50805 1
121 . 1 . 1 34 34 GLY CA C 13 45.28508 0.0478 . 9 . . . . . 34 G CA . 50805 1
122 . 1 . 1 34 34 GLY N N 15 108.79698 7.53E-05 . 9 . . . . . 34 G N . 50805 1
123 . 1 . 1 35 35 VAL H H 1 7.98625 6.02E-04 . 1 . . . . . 35 V HN . 50805 1
124 . 1 . 1 35 35 VAL CA C 13 62.33619 0.06361 . 1 . . . . . 35 V CA . 50805 1
125 . 1 . 1 35 35 VAL CB C 13 32.88505 0.02748 . 1 . . . . . 35 V CB . 50805 1
126 . 1 . 1 35 35 VAL N N 15 119.29715 0.00349 . 1 . . . . . 35 V N . 50805 1
127 . 1 . 1 36 36 LYS H H 1 8.40686 4.51E-04 . 1 . . . . . 36 K HN . 50805 1
128 . 1 . 1 36 36 LYS CA C 13 56.10288 0.04188 . 1 . . . . . 36 K CA . 50805 1
129 . 1 . 1 36 36 LYS CB C 13 33.08287 0.03748 . 1 . . . . . 36 K CB . 50805 1
130 . 1 . 1 36 36 LYS N N 15 125.62444 0.00436 . 1 . . . . . 36 K N . 50805 1
131 . 1 . 1 37 37 LYS H H 1 8.39508 0.00206 . 1 . . . . . 37 K HN . 50805 1
132 . 1 . 1 37 37 LYS CA C 13 54.40164 0 . 1 . . . . . 37 K CA . 50805 1
133 . 1 . 1 37 37 LYS CB C 13 32.83881 0 . 1 . . . . . 37 K CB . 50805 1
134 . 1 . 1 37 37 LYS N N 15 124.13886 0.02779 . 1 . . . . . 37 K N . 50805 1
stop_
save_