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 54014
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Bri2 BRICHOS R221E monomer (no SDS)'
_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' . . . 54014 1
2 '3D HNCA' . . . 54014 1
3 '3D HNCACB' . . . 54014 1
4 '3D HNCO' . . . 54014 1
5 '3D HNCACO' . . . 54014 1
6 '3D HNcoCA' . . . 54014 1
7 '3D HNcoCACB' . . . 54014 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 . . 54014 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 4 4 THR C C 13 174.351 0.006 . . . . . . . 4 THR C . 54014 1
2 . 1 . 1 4 4 THR CA C 13 61.924 0.009 . . . . . . . 4 THR CA . 54014 1
3 . 1 . 1 4 4 THR CB C 13 69.763 0.000 . . . . . . . 4 THR CB . 54014 1
4 . 1 . 1 5 5 ILE H H 1 8.242 0.001 . . . . . . . 5 ILE H . 54014 1
5 . 1 . 1 5 5 ILE C C 13 176.127 0.024 . . . . . . . 5 ILE C . 54014 1
6 . 1 . 1 5 5 ILE CA C 13 61.140 0.009 . . . . . . . 5 ILE CA . 54014 1
7 . 1 . 1 5 5 ILE CB C 13 38.673 0.006 . . . . . . . 5 ILE CB . 54014 1
8 . 1 . 1 5 5 ILE N N 15 123.544 0.037 . . . . . . . 5 ILE N . 54014 1
9 . 1 . 1 6 6 GLU H H 1 8.474 0.001 . . . . . . . 6 GLU H . 54014 1
10 . 1 . 1 6 6 GLU C C 13 176.269 0.000 . . . . . . . 6 GLU C . 54014 1
11 . 1 . 1 6 6 GLU CA C 13 56.608 0.001 . . . . . . . 6 GLU CA . 54014 1
12 . 1 . 1 6 6 GLU CB C 13 30.214 0.000 . . . . . . . 6 GLU CB . 54014 1
13 . 1 . 1 6 6 GLU N N 15 125.063 0.026 . . . . . . . 6 GLU N . 54014 1
14 . 1 . 1 7 7 GLU H H 1 8.214 0.000 . . . . . . . 7 GLU H . 54014 1
15 . 1 . 1 7 7 GLU C C 13 176.055 0.000 . . . . . . . 7 GLU C . 54014 1
16 . 1 . 1 7 7 GLU CA C 13 56.618 0.000 . . . . . . . 7 GLU CA . 54014 1
17 . 1 . 1 7 7 GLU N N 15 122.615 0.000 . . . . . . . 7 GLU N . 54014 1
18 . 1 . 1 8 8 ASN H H 1 8.460 0.001 . . . . . . . 8 ASN H . 54014 1
19 . 1 . 1 8 8 ASN C C 13 174.815 0.007 . . . . . . . 8 ASN C . 54014 1
20 . 1 . 1 8 8 ASN CA C 13 53.229 0.003 . . . . . . . 8 ASN CA . 54014 1
21 . 1 . 1 8 8 ASN CB C 13 38.700 0.000 . . . . . . . 8 ASN CB . 54014 1
22 . 1 . 1 8 8 ASN N N 15 119.578 0.032 . . . . . . . 8 ASN N . 54014 1
23 . 1 . 1 9 9 ILE H H 1 8.022 0.001 . . . . . . . 9 ILE H . 54014 1
24 . 1 . 1 9 9 ILE C C 13 175.842 0.001 . . . . . . . 9 ILE C . 54014 1
25 . 1 . 1 9 9 ILE CA C 13 61.144 0.005 . . . . . . . 9 ILE CA . 54014 1
26 . 1 . 1 9 9 ILE CB C 13 38.585 0.000 . . . . . . . 9 ILE CB . 54014 1
27 . 1 . 1 9 9 ILE N N 15 121.119 0.035 . . . . . . . 9 ILE N . 54014 1
28 . 1 . 1 10 10 LYS H H 1 8.285 0.001 . . . . . . . 10 LYS H . 54014 1
29 . 1 . 1 10 10 LYS C C 13 175.846 0.026 . . . . . . . 10 LYS C . 54014 1
30 . 1 . 1 10 10 LYS CA C 13 55.923 0.004 . . . . . . . 10 LYS CA . 54014 1
31 . 1 . 1 10 10 LYS CB C 13 32.972 0.001 . . . . . . . 10 LYS CB . 54014 1
32 . 1 . 1 10 10 LYS N N 15 125.958 0.031 . . . . . . . 10 LYS N . 54014 1
33 . 1 . 1 11 11 ILE H H 1 8.099 0.001 . . . . . . . 11 ILE H . 54014 1
34 . 1 . 1 11 11 ILE C C 13 175.722 0.018 . . . . . . . 11 ILE C . 54014 1
35 . 1 . 1 11 11 ILE CA C 13 60.855 0.004 . . . . . . . 11 ILE CA . 54014 1
36 . 1 . 1 11 11 ILE CB C 13 38.627 0.005 . . . . . . . 11 ILE CB . 54014 1
37 . 1 . 1 11 11 ILE N N 15 122.726 0.041 . . . . . . . 11 ILE N . 54014 1
38 . 1 . 1 12 12 PHE H H 1 8.287 0.001 . . . . . . . 12 PHE H . 54014 1
39 . 1 . 1 12 12 PHE C C 13 175.427 0.029 . . . . . . . 12 PHE C . 54014 1
40 . 1 . 1 12 12 PHE CA C 13 57.560 0.006 . . . . . . . 12 PHE CA . 54014 1
41 . 1 . 1 12 12 PHE CB C 13 39.679 0.001 . . . . . . . 12 PHE CB . 54014 1
42 . 1 . 1 12 12 PHE N N 15 124.187 0.040 . . . . . . . 12 PHE N . 54014 1
43 . 1 . 1 13 13 GLU H H 1 8.355 0.001 . . . . . . . 13 GLU H . 54014 1
44 . 1 . 1 13 13 GLU C C 13 175.924 0.004 . . . . . . . 13 GLU C . 54014 1
45 . 1 . 1 13 13 GLU CA C 13 56.362 0.063 . . . . . . . 13 GLU CA . 54014 1
46 . 1 . 1 13 13 GLU CB C 13 30.476 0.060 . . . . . . . 13 GLU CB . 54014 1
47 . 1 . 1 13 13 GLU N N 15 122.944 0.028 . . . . . . . 13 GLU N . 54014 1
48 . 1 . 1 14 14 GLU H H 1 8.350 0.012 . . . . . . . 14 GLU H . 54014 1
49 . 1 . 1 14 14 GLU C C 13 176.855 0.403 . . . . . . . 14 GLU C . 54014 1
50 . 1 . 1 14 14 GLU CA C 13 56.465 0.007 . . . . . . . 14 GLU CA . 54014 1
51 . 1 . 1 14 14 GLU CB C 13 30.460 0.000 . . . . . . . 14 GLU CB . 54014 1
52 . 1 . 1 14 14 GLU N N 15 121.767 0.071 . . . . . . . 14 GLU N . 54014 1
53 . 1 . 1 15 15 GLU H H 1 8.411 0.001 . . . . . . . 15 GLU H . 54014 1
54 . 1 . 1 15 15 GLU C C 13 176.255 0.011 . . . . . . . 15 GLU C . 54014 1
55 . 1 . 1 15 15 GLU CA C 13 56.443 0.033 . . . . . . . 15 GLU CA . 54014 1
56 . 1 . 1 15 15 GLU N N 15 121.954 0.028 . . . . . . . 15 GLU N . 54014 1
57 . 1 . 1 16 16 GLU H H 1 8.449 0.001 . . . . . . . 16 GLU H . 54014 1
58 . 1 . 1 16 16 GLU C C 13 176.230 0.002 . . . . . . . 16 GLU C . 54014 1
59 . 1 . 1 16 16 GLU CA C 13 56.367 0.013 . . . . . . . 16 GLU CA . 54014 1
60 . 1 . 1 16 16 GLU CB C 13 30.319 0.030 . . . . . . . 16 GLU CB . 54014 1
61 . 1 . 1 16 16 GLU N N 15 122.822 0.033 . . . . . . . 16 GLU N . 54014 1
62 . 1 . 1 17 17 VAL H H 1 8.155 0.002 . . . . . . . 17 VAL H . 54014 1
63 . 1 . 1 17 17 VAL C C 13 175.764 0.009 . . . . . . . 17 VAL C . 54014 1
64 . 1 . 1 17 17 VAL CA C 13 61.991 0.006 . . . . . . . 17 VAL CA . 54014 1
65 . 1 . 1 17 17 VAL CB C 13 32.992 0.001 . . . . . . . 17 VAL CB . 54014 1
66 . 1 . 1 17 17 VAL N N 15 121.707 0.034 . . . . . . . 17 VAL N . 54014 1
67 . 1 . 1 18 18 GLU H H 1 8.390 0.001 . . . . . . . 18 GLU H . 54014 1
68 . 1 . 1 18 18 GLU C C 13 175.738 0.001 . . . . . . . 18 GLU C . 54014 1
69 . 1 . 1 18 18 GLU CA C 13 56.402 0.007 . . . . . . . 18 GLU CA . 54014 1
70 . 1 . 1 18 18 GLU CB C 13 30.531 0.003 . . . . . . . 18 GLU CB . 54014 1
71 . 1 . 1 18 18 GLU N N 15 124.757 0.039 . . . . . . . 18 GLU N . 54014 1
72 . 1 . 1 19 19 PHE H H 1 8.307 0.002 . . . . . . . 19 PHE H . 54014 1
73 . 1 . 1 19 19 PHE C C 13 175.086 0.012 . . . . . . . 19 PHE C . 54014 1
74 . 1 . 1 19 19 PHE CA C 13 57.515 0.005 . . . . . . . 19 PHE CA . 54014 1
75 . 1 . 1 19 19 PHE CB C 13 39.646 0.000 . . . . . . . 19 PHE CB . 54014 1
76 . 1 . 1 19 19 PHE N N 15 122.480 0.040 . . . . . . . 19 PHE N . 54014 1
77 . 1 . 1 20 20 ILE H H 1 8.012 0.001 . . . . . . . 20 ILE H . 54014 1
78 . 1 . 1 20 20 ILE C C 13 175.383 0.025 . . . . . . . 20 ILE C . 54014 1
79 . 1 . 1 20 20 ILE CA C 13 60.547 0.007 . . . . . . . 20 ILE CA . 54014 1
80 . 1 . 1 20 20 ILE CB C 13 60.561 0.000 . . . . . . . 20 ILE CB . 54014 1
81 . 1 . 1 20 20 ILE N N 15 124.251 0.030 . . . . . . . 20 ILE N . 54014 1
82 . 1 . 1 21 21 SER H H 1 8.292 0.001 . . . . . . . 21 SER H . 54014 1
83 . 1 . 1 21 21 SER C C 13 174.032 0.073 . . . . . . . 21 SER C . 54014 1
84 . 1 . 1 21 21 SER CA C 13 57.849 0.005 . . . . . . . 21 SER CA . 54014 1
85 . 1 . 1 21 21 SER CB C 13 63.712 0.009 . . . . . . . 21 SER CB . 54014 1
86 . 1 . 1 21 21 SER N N 15 120.621 0.032 . . . . . . . 21 SER N . 54014 1
87 . 1 . 1 22 22 VAL H H 1 8.156 0.001 . . . . . . . 22 VAL H . 54014 1
88 . 1 . 1 22 22 VAL C C 13 174.239 0.000 . . . . . . . 22 VAL C . 54014 1
89 . 1 . 1 22 22 VAL CA C 13 59.718 0.002 . . . . . . . 22 VAL CA . 54014 1
90 . 1 . 1 22 22 VAL N N 15 123.980 0.029 . . . . . . . 22 VAL N . 54014 1
91 . 1 . 1 23 23 PRO C C 13 176.469 0.003 . . . . . . . 23 PRO C . 54014 1
92 . 1 . 1 23 23 PRO CA C 13 62.899 0.003 . . . . . . . 23 PRO CA . 54014 1
93 . 1 . 1 23 23 PRO CB C 13 32.265 0.000 . . . . . . . 23 PRO CB . 54014 1
94 . 1 . 1 24 24 VAL H H 1 8.220 0.002 . . . . . . . 24 VAL H . 54014 1
95 . 1 . 1 24 24 VAL CA C 13 59.788 0.001 . . . . . . . 24 VAL CA . 54014 1
96 . 1 . 1 24 24 VAL N N 15 121.995 0.036 . . . . . . . 24 VAL N . 54014 1
97 . 1 . 1 25 25 PRO C C 13 176.521 0.002 . . . . . . . 25 PRO C . 54014 1
98 . 1 . 1 25 25 PRO CA C 13 63.062 0.000 . . . . . . . 25 PRO CA . 54014 1
99 . 1 . 1 25 25 PRO CB C 13 32.031 0.000 . . . . . . . 25 PRO CB . 54014 1
100 . 1 . 1 26 26 GLU H H 1 8.392 0.001 . . . . . . . 26 GLU H . 54014 1
101 . 1 . 1 26 26 GLU C C 13 176.210 0.065 . . . . . . . 26 GLU C . 54014 1
102 . 1 . 1 26 26 GLU CA C 13 56.625 0.020 . . . . . . . 26 GLU CA . 54014 1
103 . 1 . 1 26 26 GLU CB C 13 30.380 0.006 . . . . . . . 26 GLU CB . 54014 1
104 . 1 . 1 26 26 GLU N N 15 121.047 0.043 . . . . . . . 26 GLU N . 54014 1
105 . 1 . 1 27 27 PHE H H 1 8.178 0.002 . . . . . . . 27 PHE H . 54014 1
106 . 1 . 1 27 27 PHE C C 13 175.294 0.000 . . . . . . . 27 PHE C . 54014 1
107 . 1 . 1 27 27 PHE CA C 13 57.227 0.001 . . . . . . . 27 PHE CA . 54014 1
108 . 1 . 1 27 27 PHE CB C 13 39.604 0.010 . . . . . . . 27 PHE CB . 54014 1
109 . 1 . 1 27 27 PHE N N 15 120.342 0.029 . . . . . . . 27 PHE N . 54014 1
110 . 1 . 1 28 28 ALA H H 1 8.261 0.001 . . . . . . . 28 ALA H . 54014 1
111 . 1 . 1 28 28 ALA C C 13 177.142 0.010 . . . . . . . 28 ALA C . 54014 1
112 . 1 . 1 28 28 ALA CA C 13 52.306 0.007 . . . . . . . 28 ALA CA . 54014 1
113 . 1 . 1 28 28 ALA CB C 13 19.465 0.000 . . . . . . . 28 ALA CB . 54014 1
114 . 1 . 1 28 28 ALA N N 15 125.638 0.046 . . . . . . . 28 ALA N . 54014 1
115 . 1 . 1 29 29 ASP H H 1 8.246 0.000 . . . . . . . 29 ASP H . 54014 1
116 . 1 . 1 29 29 ASP C C 13 176.097 0.003 . . . . . . . 29 ASP C . 54014 1
117 . 1 . 1 29 29 ASP CA C 13 54.414 0.019 . . . . . . . 29 ASP CA . 54014 1
118 . 1 . 1 29 29 ASP CB C 13 41.139 0.001 . . . . . . . 29 ASP CB . 54014 1
119 . 1 . 1 29 29 ASP N N 15 119.797 0.040 . . . . . . . 29 ASP N . 54014 1
120 . 1 . 1 30 30 SER H H 1 8.101 0.002 . . . . . . . 30 SER H . 54014 1
121 . 1 . 1 30 30 SER C C 13 174.038 0.246 . . . . . . . 30 SER C . 54014 1
122 . 1 . 1 30 30 SER CA C 13 58.030 0.004 . . . . . . . 30 SER CA . 54014 1
123 . 1 . 1 30 30 SER CB C 13 63.995 0.000 . . . . . . . 30 SER CB . 54014 1
124 . 1 . 1 30 30 SER N N 15 115.233 0.046 . . . . . . . 30 SER N . 54014 1
125 . 1 . 1 31 31 ASP H H 1 8.381 0.001 . . . . . . . 31 ASP H . 54014 1
126 . 1 . 1 31 31 ASP CA C 13 52.676 0.005 . . . . . . . 31 ASP CA . 54014 1
127 . 1 . 1 31 31 ASP CB C 13 40.887 0.000 . . . . . . . 31 ASP CB . 54014 1
128 . 1 . 1 31 31 ASP N N 15 123.582 0.043 . . . . . . . 31 ASP N . 54014 1
129 . 1 . 1 32 32 PRO C C 13 177.140 0.000 . . . . . . . 32 PRO C . 54014 1
130 . 1 . 1 32 32 PRO CA C 13 63.780 0.000 . . . . . . . 32 PRO CA . 54014 1
131 . 1 . 1 32 32 PRO CB C 13 62.490 0.000 . . . . . . . 32 PRO CB . 54014 1
132 . 1 . 1 43 43 LEU CA C 13 53.554 0.000 . . . . . . . 43 LEU CA . 54014 1
133 . 1 . 1 44 44 THR H H 1 9.226 0.002 . . . . . . . 44 THR H . 54014 1
134 . 1 . 1 44 44 THR CA C 13 62.624 0.005 . . . . . . . 44 THR CA . 54014 1
135 . 1 . 1 44 44 THR N N 15 120.539 0.000 . . . . . . . 44 THR N . 54014 1
136 . 1 . 1 45 45 ALA H H 1 9.267 0.004 . . . . . . . 45 ALA H . 54014 1
137 . 1 . 1 45 45 ALA CA C 13 49.578 0.000 . . . . . . . 45 ALA CA . 54014 1
138 . 1 . 1 45 45 ALA N N 15 126.153 0.000 . . . . . . . 45 ALA N . 54014 1
139 . 1 . 1 47 47 LEU H H 1 9.301 0.003 . . . . . . . 47 LEU H . 54014 1
140 . 1 . 1 47 47 LEU CA C 13 54.316 0.000 . . . . . . . 47 LEU CA . 54014 1
141 . 1 . 1 47 47 LEU N N 15 121.599 0.000 . . . . . . . 47 LEU N . 54014 1
142 . 1 . 1 48 48 ASP CA C 13 52.614 0.000 . . . . . . . 48 ASP CA . 54014 1
143 . 1 . 1 121 121 LEU H H 1 7.755 0.003 . . . . . . . 121 LEU H . 54014 1
144 . 1 . 1 121 121 LEU CA C 13 56.658 0.001 . . . . . . . 121 LEU CA . 54014 1
145 . 1 . 1 121 121 LEU CB C 13 43.263 0.000 . . . . . . . 121 LEU CB . 54014 1
146 . 1 . 1 121 121 LEU N N 15 129.510 0.051 . . . . . . . 121 LEU N . 54014 1
stop_
save_