Content for NMR-STAR saveframe, "assigned_chem_shift_2"
save_assigned_chem_shift_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_2
_Assigned_chem_shift_list.Entry_ID 19990
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
4 '3D HNCO' . . . 19990 2
5 '3D HNCA' . . . 19990 2
6 '3D HNCACB' . . . 19990 2
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 $TOPSPIN . . 19990 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 CYS C C 13 171.8 0.1 . . . . . . . 3 CYS C . 19990 2
2 . 1 1 3 3 CYS CA C 13 54.8 0.1 . . . . . . . 3 CYS CA . 19990 2
3 . 1 1 3 3 CYS CB C 13 37.3 0.1 . . . . . . . 3 CYS CB . 19990 2
4 . 1 1 4 4 ILE H H 1 7.75 0.01 . . . . . . . 4 ILE H . 19990 2
5 . 1 1 4 4 ILE C C 13 175.1 0.1 . . . . . . . 4 ILE C . 19990 2
6 . 1 1 4 4 ILE CA C 13 59.4 0.1 . . . . . . . 4 ILE CA . 19990 2
7 . 1 1 4 4 ILE CB C 13 41.9 0.1 . . . . . . . 4 ILE CB . 19990 2
8 . 1 1 4 4 ILE N N 15 120.2 0.1 . . . . . . . 4 ILE N . 19990 2
9 . 1 1 5 5 ASP H H 1 8.60 0.01 . . . . . . . 5 ASP H . 19990 2
10 . 1 1 5 5 ASP C C 13 177.0 0.1 . . . . . . . 5 ASP C . 19990 2
11 . 1 1 5 5 ASP CA C 13 53.9 0.1 . . . . . . . 5 ASP CA . 19990 2
12 . 1 1 5 5 ASP CB C 13 41.2 0.1 . . . . . . . 5 ASP CB . 19990 2
13 . 1 1 5 5 ASP N N 15 123.2 0.1 . . . . . . . 5 ASP N . 19990 2
14 . 1 1 6 6 THR H H 1 9.44 0.01 . . . . . . . 6 THR H . 19990 2
15 . 1 1 6 6 THR C C 13 173.9 0.1 . . . . . . . 6 THR C . 19990 2
16 . 1 1 6 6 THR CA C 13 61.6 0.1 . . . . . . . 6 THR CA . 19990 2
17 . 1 1 6 6 THR CB C 13 68.1 0.1 . . . . . . . 6 THR CB . 19990 2
18 . 1 1 6 6 THR N N 15 112.5 0.1 . . . . . . . 6 THR N . 19990 2
19 . 1 1 7 7 ILE CA C 13 58.3 0.1 . . . . . . . 7 ILE CA . 19990 2
20 . 1 1 7 7 ILE CB C 13 37.5 0.1 . . . . . . . 7 ILE CB . 19990 2
21 . 1 1 8 8 PRO C C 13 177.0 0.1 . . . . . . . 8 PRO C . 19990 2
22 . 1 1 8 8 PRO CA C 13 63.1 0.1 . . . . . . . 8 PRO CA . 19990 2
23 . 1 1 8 8 PRO CB C 13 31.4 0.1 . . . . . . . 8 PRO CB . 19990 2
24 . 1 1 9 9 LYS H H 1 8.30 0.1 . . . . . . . 9 LYS H . 19990 2
25 . 1 1 9 9 LYS C C 13 178.4 0.1 . . . . . . . 9 LYS C . 19990 2
26 . 1 1 9 9 LYS CA C 13 59.2 0.1 . . . . . . . 9 LYS CA . 19990 2
27 . 1 1 9 9 LYS CB C 13 31.4 0.01 . . . . . . . 9 LYS CB . 19990 2
28 . 1 1 9 9 LYS N N 15 123.8 0.1 . . . . . . . 9 LYS N . 19990 2
29 . 1 1 10 10 SER H H 1 8.39 0.1 . . . . . . . 10 SER H . 19990 2
30 . 1 1 10 10 SER C C 13 175.7 0.1 . . . . . . . 10 SER C . 19990 2
31 . 1 1 10 10 SER CA C 13 59.8 0.1 . . . . . . . 10 SER CA . 19990 2
32 . 1 1 10 10 SER CB C 13 61.8 0.01 . . . . . . . 10 SER CB . 19990 2
33 . 1 1 10 10 SER N N 15 113.7 0.1 . . . . . . . 10 SER N . 19990 2
34 . 1 1 11 11 ARG H H 1 8.09 0.1 . . . . . . . 11 ARG H . 19990 2
35 . 1 1 11 11 ARG C C 13 177.5 0.1 . . . . . . . 11 ARG C . 19990 2
36 . 1 1 11 11 ARG CA C 13 55.9 0.1 . . . . . . . 11 ARG CA . 19990 2
37 . 1 1 11 11 ARG CB C 13 30.3 0.01 . . . . . . . 11 ARG CB . 19990 2
38 . 1 1 11 11 ARG N N 15 118.6 0.1 . . . . . . . 11 ARG N . 19990 2
39 . 1 1 12 12 CYS H H 1 7.95 0.1 . . . . . . . 12 CYS H . 19990 2
40 . 1 1 12 12 CYS C C 13 174.0 0.1 . . . . . . . 12 CYS C . 19990 2
41 . 1 1 12 12 CYS CA C 13 52.6 0.1 . . . . . . . 12 CYS CA . 19990 2
42 . 1 1 12 12 CYS CB C 13 37.9 0.01 . . . . . . . 12 CYS CB . 19990 2
43 . 1 1 12 12 CYS N N 15 122.4 0.1 . . . . . . . 12 CYS N . 19990 2
44 . 1 1 13 13 THR H H 1 7.22 0.1 . . . . . . . 13 THR H . 19990 2
45 . 1 1 13 13 THR C C 13 173.9 0.1 . . . . . . . 13 THR C . 19990 2
46 . 1 1 13 13 THR CA C 13 59.6 0.1 . . . . . . . 13 THR CA . 19990 2
47 . 1 1 13 13 THR CB C 13 70.5 0.01 . . . . . . . 13 THR CB . 19990 2
48 . 1 1 13 13 THR N N 15 110.2 0.1 . . . . . . . 13 THR N . 19990 2
49 . 1 1 14 14 ALA H H 1 8.82 0.1 . . . . . . . 14 ALA H . 19990 2
50 . 1 1 14 14 ALA C C 13 180.3 0.1 . . . . . . . 14 ALA C . 19990 2
51 . 1 1 14 14 ALA CA C 13 55.0 0.1 . . . . . . . 14 ALA CA . 19990 2
52 . 1 1 14 14 ALA CB C 13 16.9 0.01 . . . . . . . 14 ALA CB . 19990 2
53 . 1 1 14 14 ALA N N 15 123.6 0.1 . . . . . . . 14 ALA N . 19990 2
54 . 1 1 15 15 PHE H H 1 8.39 0.1 . . . . . . . 15 PHE H . 19990 2
55 . 1 1 15 15 PHE C C 13 177.6 0.1 . . . . . . . 15 PHE C . 19990 2
56 . 1 1 15 15 PHE CA C 13 61.3 0.1 . . . . . . . 15 PHE CA . 19990 2
57 . 1 1 15 15 PHE CB C 13 38.8 0.01 . . . . . . . 15 PHE CB . 19990 2
58 . 1 1 15 15 PHE N N 15 117.2 0.1 . . . . . . . 15 PHE N . 19990 2
59 . 1 1 16 16 GLN H H 1 7.65 0.1 . . . . . . . 16 GLN H . 19990 2
60 . 1 1 16 16 GLN C C 13 178.9 0.1 . . . . . . . 16 GLN C . 19990 2
61 . 1 1 16 16 GLN CA C 13 57.8 0.1 . . . . . . . 16 GLN CA . 19990 2
62 . 1 1 16 16 GLN CB C 13 27.4 0.01 . . . . . . . 16 GLN CB . 19990 2
63 . 1 1 16 16 GLN N N 15 118.3 0.1 . . . . . . . 16 GLN N . 19990 2
64 . 1 1 17 17 CYS C C 13 175.4 0.1 . . . . . . . 17 CYS C . 19990 2
65 . 1 1 17 17 CYS CA C 13 56.1 0.1 . . . . . . . 17 CYS CA . 19990 2
66 . 1 1 17 17 CYS CB C 13 36.2 0.1 . . . . . . . 17 CYS CB . 19990 2
67 . 1 1 18 18 LYS H H 1 7.48 0.01 . . . . . . . 18 LYS H . 19990 2
68 . 1 1 18 18 LYS C C 13 177.7 0.1 . . . . . . . 18 LYS C . 19990 2
69 . 1 1 18 18 LYS CA C 13 57.4 0.1 . . . . . . . 18 LYS CA . 19990 2
70 . 1 1 18 18 LYS CB C 13 32.0 0.1 . . . . . . . 18 LYS CB . 19990 2
71 . 1 1 18 18 LYS N N 15 116.5 0.1 . . . . . . . 18 LYS N . 19990 2
72 . 1 1 19 19 HIS H H 1 7.70 0.01 . . . . . . . 19 HIS H . 19990 2
73 . 1 1 19 19 HIS C C 13 175.2 0.1 . . . . . . . 19 HIS C . 19990 2
74 . 1 1 19 19 HIS CA C 13 57.6 0.1 . . . . . . . 19 HIS CA . 19990 2
75 . 1 1 19 19 HIS CB C 13 30.5 0.1 . . . . . . . 19 HIS CB . 19990 2
76 . 1 1 19 19 HIS N N 15 113.7 0.1 . . . . . . . 19 HIS N . 19990 2
77 . 1 1 20 20 SER H H 1 8.28 0.01 . . . . . . . 20 SER H . 19990 2
78 . 1 1 20 20 SER CA C 13 55.6 0.1 . . . . . . . 20 SER CA . 19990 2
79 . 1 1 20 20 SER CB C 13 62.6 0.1 . . . . . . . 20 SER CB . 19990 2
80 . 1 1 20 20 SER N N 15 114.4 0.1 . . . . . . . 20 SER N . 19990 2
81 . 1 1 21 21 MET C C 13 177.5 0.1 . . . . . . . 21 MET C . 19990 2
82 . 1 1 21 21 MET CA C 13 58.3 0.1 . . . . . . . 21 MET CA . 19990 2
83 . 1 1 21 21 MET CB C 13 31.2 0.1 . . . . . . . 21 MET CB . 19990 2
84 . 1 1 22 22 LYS H H 1 8.28 0.01 . . . . . . . 22 LYS H . 19990 2
85 . 1 1 22 22 LYS C C 13 179.1 0.1 . . . . . . . 22 LYS C . 19990 2
86 . 1 1 22 22 LYS CA C 13 58.3 0.1 . . . . . . . 22 LYS CA . 19990 2
87 . 1 1 22 22 LYS CB C 13 30.9 0.1 . . . . . . . 22 LYS CB . 19990 2
88 . 1 1 22 22 LYS N N 15 118.6 0.1 . . . . . . . 22 LYS N . 19990 2
89 . 1 1 23 23 TYR H H 1 8.00 0.01 . . . . . . . 23 TYR H . 19990 2
90 . 1 1 23 23 TYR C C 13 176.4 0.1 . . . . . . . 23 TYR C . 19990 2
91 . 1 1 23 23 TYR CA C 13 62.2 0.1 . . . . . . . 23 TYR CA . 19990 2
92 . 1 1 23 23 TYR CB C 13 37.1 0.1 . . . . . . . 23 TYR CB . 19990 2
93 . 1 1 23 23 TYR N N 15 120.2 0.1 . . . . . . . 23 TYR N . 19990 2
94 . 1 1 24 24 ARG H H 1 8.11 0.01 . . . . . . . 24 ARG H . 19990 2
95 . 1 1 24 24 ARG C C 13 176.6 0.1 . . . . . . . 24 ARG C . 19990 2
96 . 1 1 24 24 ARG CA C 13 59.8 0.1 . . . . . . . 24 ARG CA . 19990 2
97 . 1 1 24 24 ARG CB C 13 30.1 0.1 . . . . . . . 24 ARG CB . 19990 2
98 . 1 1 24 24 ARG N N 15 117.3 0.1 . . . . . . . 24 ARG N . 19990 2
99 . 1 1 25 25 LEU H H 1 8.19 0.01 . . . . . . . 25 LEU H . 19990 2
100 . 1 1 25 25 LEU C C 13 177.9 0.1 . . . . . . . 25 LEU C . 19990 2
101 . 1 1 25 25 LEU CA C 13 55.0 0.1 . . . . . . . 25 LEU CA . 19990 2
102 . 1 1 25 25 LEU CB C 13 41.7 0.1 . . . . . . . 25 LEU CB . 19990 2
103 . 1 1 25 25 LEU N N 15 110.9 0.1 . . . . . . . 25 LEU N . 19990 2
104 . 1 1 26 26 SER H H 1 7.48 0.01 . . . . . . . 26 SER H . 19990 2
105 . 1 1 26 26 SER C C 13 175.1 0.1 . . . . . . . 26 SER C . 19990 2
106 . 1 1 26 26 SER CA C 13 59.6 0.1 . . . . . . . 26 SER CA . 19990 2
107 . 1 1 26 26 SER CB C 13 63.7 0.1 . . . . . . . 26 SER CB . 19990 2
108 . 1 1 26 26 SER N N 15 112.3 0.1 . . . . . . . 26 SER N . 19990 2
109 . 1 1 27 27 PHE H H 1 7.43 0.01 . . . . . . . 27 PHE H . 19990 2
110 . 1 1 27 27 PHE C C 13 176.8 0.1 . . . . . . . 27 PHE C . 19990 2
111 . 1 1 27 27 PHE CA C 13 56.5 0.1 . . . . . . . 27 PHE CA . 19990 2
112 . 1 1 27 27 PHE CB C 13 39.5 0.1 . . . . . . . 27 PHE CB . 19990 2
113 . 1 1 27 27 PHE N N 15 118.8 0.1 . . . . . . . 27 PHE N . 19990 2
114 . 1 1 28 28 CYS H H 1 8.66 0.01 . . . . . . . 28 CYS H . 19990 2
115 . 1 1 28 28 CYS C C 13 175.9 0.1 . . . . . . . 28 CYS C . 19990 2
116 . 1 1 28 28 CYS CA C 13 53.7 0.1 . . . . . . . 28 CYS CA . 19990 2
117 . 1 1 28 28 CYS CB C 13 43.0 0.1 . . . . . . . 28 CYS CB . 19990 2
118 . 1 1 28 28 CYS N N 15 116.9 0.1 . . . . . . . 28 CYS N . 19990 2
119 . 1 1 29 29 ARG H H 1 8.39 0.01 . . . . . . . 29 ARG H . 19990 2
120 . 1 1 29 29 ARG C C 13 177.5 0.1 . . . . . . . 29 ARG C . 19990 2
121 . 1 1 29 29 ARG CA C 13 59.4 0.1 . . . . . . . 29 ARG CA . 19990 2
122 . 1 1 29 29 ARG CB C 13 30.1 0.1 . . . . . . . 29 ARG CB . 19990 2
123 . 1 1 29 29 ARG N N 15 118.8 0.1 . . . . . . . 29 ARG N . 19990 2
124 . 1 1 30 30 LYS C C 13 180.9 0.1 . . . . . . . 30 LYS C . 19990 2
125 . 1 1 30 30 LYS CA C 13 58.1 0.1 . . . . . . . 30 LYS CA . 19990 2
126 . 1 1 30 30 LYS CB C 13 31.4 0.1 . . . . . . . 30 LYS CB . 19990 2
127 . 1 1 31 31 THR H H 1 10.83 0.01 . . . . . . . 31 THR H . 19990 2
128 . 1 1 31 31 THR C C 13 176.7 0.1 . . . . . . . 31 THR C . 19990 2
129 . 1 1 31 31 THR CA C 13 68.6 0.1 . . . . . . . 31 THR CA . 19990 2
130 . 1 1 31 31 THR CB C 13 67.0 0.1 . . . . . . . 31 THR CB . 19990 2
131 . 1 1 31 31 THR N N 15 124.2 0.1 . . . . . . . 31 THR N . 19990 2
132 . 1 1 32 32 CYS H H 1 9.10 0.01 . . . . . . . 32 CYS H . 19990 2
133 . 1 1 32 32 CYS C C 13 175.4 0.1 . . . . . . . 32 CYS C . 19990 2
134 . 1 1 32 32 CYS CA C 13 53.0 0.1 . . . . . . . 32 CYS CA . 19990 2
135 . 1 1 32 32 CYS CB C 13 35.1 0.1 . . . . . . . 32 CYS CB . 19990 2
136 . 1 1 32 32 CYS N N 15 113.9 0.1 . . . . . . . 32 CYS N . 19990 2
137 . 1 1 33 33 GLY H H 1 7.83 0.01 . . . . . . . 33 GLY H . 19990 2
138 . 1 1 33 33 GLY C C 13 174.7 0.1 . . . . . . . 33 GLY C . 19990 2
139 . 1 1 33 33 GLY CA C 13 46.2 0.1 . . . . . . . 33 GLY CA . 19990 2
140 . 1 1 33 33 GLY N N 15 109.2 0.1 . . . . . . . 33 GLY N . 19990 2
141 . 1 1 34 34 THR H H 1 8.71 0.01 . . . . . . . 34 THR H . 19990 2
142 . 1 1 34 34 THR C C 13 173.4 0.1 . . . . . . . 34 THR C . 19990 2
143 . 1 1 34 34 THR CA C 13 62.0 0.1 . . . . . . . 34 THR CA . 19990 2
144 . 1 1 34 34 THR CB C 13 67.9 0.1 . . . . . . . 34 THR CB . 19990 2
145 . 1 1 34 34 THR N N 15 115.4 0.1 . . . . . . . 34 THR N . 19990 2
146 . 1 1 35 35 CYS H H 1 7.73 0.01 . . . . . . . 35 CYS H . 19990 2
147 . 1 1 35 35 CYS CA C 13 55.2 0.1 . . . . . . . 35 CYS CA . 19990 2
148 . 1 1 35 35 CYS CB C 13 40.6 0.1 . . . . . . . 35 CYS CB . 19990 2
149 . 1 1 35 35 CYS N N 15 122.8 0.1 . . . . . . . 35 CYS N . 19990 2
stop_
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