Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50217
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 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 HSQC' . . . 50217 2
2 '3D CBCA(CO)NH' . . . 50217 2
3 '3D HNCACB' . . . 50217 2
4 '3D HN(CO)CA' . . . 50217 2
5 '3D HNCO' . . . 50217 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 $software_1 . . 50217 2
2 $software_2 . . 50217 2
3 $software_3 . . 50217 2
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 22 22 SER H H 1 8.985 0.001 . . . . . . . 95 S H . 50217 2
2 . 1 . 1 22 22 SER CA C 13 59.947 0.000 . . . . . . . 95 S CA . 50217 2
3 . 1 . 1 22 22 SER CB C 13 65.382 0.000 . . . . . . . 95 S CB . 50217 2
4 . 1 . 1 22 22 SER N N 15 119.721 0.031 . . . . . . . 95 S N . 50217 2
5 . 1 . 1 23 23 THR H H 1 8.970 0.003 . . . . . . . 96 T H . 50217 2
6 . 1 . 1 23 23 THR CA C 13 69.312 0.000 . . . . . . . 96 T CA . 50217 2
7 . 1 . 1 23 23 THR CB C 13 61.244 0.000 . . . . . . . 96 T CB . 50217 2
8 . 1 . 1 23 23 THR N N 15 124.895 9.549 . . . . . . . 96 T N . 50217 2
9 . 1 . 1 24 24 ASP H H 1 8.180 0.000 . . . . . . . 97 D H . 50217 2
10 . 1 . 1 24 24 ASP CA C 13 51.248 0.000 . . . . . . . 97 D CA . 50217 2
11 . 1 . 1 24 24 ASP CB C 13 43.263 0.000 . . . . . . . 97 D CB . 50217 2
12 . 1 . 1 24 24 ASP N N 15 119.950 0.000 . . . . . . . 97 D N . 50217 2
13 . 1 . 1 25 25 THR H H 1 8.161 0.001 . . . . . . . 98 T H . 50217 2
14 . 1 . 1 25 25 THR CA C 13 58.378 0.000 . . . . . . . 98 T CA . 50217 2
15 . 1 . 1 25 25 THR CB C 13 71.068 0.000 . . . . . . . 98 T CB . 50217 2
16 . 1 . 1 25 25 THR N N 15 110.110 0.000 . . . . . . . 98 T N . 50217 2
17 . 1 . 1 27 27 SER H H 1 7.864 0.001 . . . . . . . 100 S H . 50217 2
18 . 1 . 1 27 27 SER CA C 13 57.754 0.000 . . . . . . . 100 S CA . 50217 2
19 . 1 . 1 27 27 SER CB C 13 65.672 0.000 . . . . . . . 100 S CB . 50217 2
20 . 1 . 1 27 27 SER N N 15 115.115 0.023 . . . . . . . 100 S N . 50217 2
21 . 1 . 1 29 29 ALA H H 1 9.216 0.001 . . . . . . . 102 A H . 50217 2
22 . 1 . 1 29 29 ALA CA C 13 55.711 0.000 . . . . . . . 102 A Ca . 50217 2
23 . 1 . 1 29 29 ALA CB C 13 18.403 0.000 . . . . . . . 102 A CB . 50217 2
24 . 1 . 1 29 29 ALA N N 15 119.184 0.079 . . . . . . . 102 A N . 50217 2
25 . 1 . 1 30 30 LEU H H 1 7.518 0.002 . . . . . . . 103 L H . 50217 2
26 . 1 . 1 30 30 LEU CA C 13 57.189 0.057 . . . . . . . 103 L CA . 50217 2
27 . 1 . 1 30 30 LEU CB C 13 41.341 0.003 . . . . . . . 103 L CB . 50217 2
28 . 1 . 1 30 30 LEU N N 15 117.138 0.036 . . . . . . . 103 L N . 50217 2
29 . 1 . 1 31 31 SER H H 1 8.704 0.001 . . . . . . . 104 S H . 50217 2
30 . 1 . 1 31 31 SER CA C 13 63.594 0.028 . . . . . . . 104 S CA . 50217 2
31 . 1 . 1 31 31 SER CB C 13 62.019 0.004 . . . . . . . 104 S CB . 50217 2
32 . 1 . 1 31 31 SER N N 15 121.926 0.035 . . . . . . . 104 S N . 50217 2
33 . 1 . 1 32 32 LEU H H 1 8.353 0.001 . . . . . . . 105 L H . 50217 2
34 . 1 . 1 32 32 LEU CA C 13 59.148 0.092 . . . . . . . 105 L CA . 50217 2
35 . 1 . 1 32 32 LEU CB C 13 42.284 0.014 . . . . . . . 105 L CB . 50217 2
36 . 1 . 1 32 32 LEU N N 15 125.494 0.034 . . . . . . . 105 L N . 50217 2
37 . 1 . 1 33 33 LYS H H 1 7.307 0.003 . . . . . . . 106 K H . 50217 2
38 . 1 . 1 33 33 LYS CA C 13 58.936 0.021 . . . . . . . 106 K CA . 50217 2
39 . 1 . 1 33 33 LYS CB C 13 32.750 0.071 . . . . . . . 106 K CB . 50217 2
40 . 1 . 1 33 33 LYS N N 15 118.364 0.013 . . . . . . . 106 K N . 50217 2
41 . 1 . 1 34 34 ASN H H 1 8.110 0.034 . . . . . . . 107 N H . 50217 2
42 . 1 . 1 34 34 ASN CA C 13 57.675 0.026 . . . . . . . 107 N CA . 50217 2
43 . 1 . 1 34 34 ASN CB C 13 40.288 0.086 . . . . . . . 107 N CB . 50217 2
44 . 1 . 1 34 34 ASN N N 15 118.835 0.223 . . . . . . . 107 N N . 50217 2
45 . 1 . 1 35 35 CYS H H 1 8.393 0.002 . . . . . . . 108 C H . 50217 2
46 . 1 . 1 35 35 CYS CA C 13 56.531 0.014 . . . . . . . 108 C CA . 50217 2
47 . 1 . 1 35 35 CYS CB C 13 34.864 0.018 . . . . . . . 108 C CB . 50217 2
48 . 1 . 1 35 35 CYS N N 15 113.509 0.043 . . . . . . . 108 C N . 50217 2
49 . 1 . 1 36 36 SER H H 1 8.000 0.001 . . . . . . . 109 S H . 50217 2
50 . 1 . 1 36 36 SER CA C 13 61.566 0.000 . . . . . . . 109 S CA . 50217 2
51 . 1 . 1 36 36 SER CB C 13 62.751 0.000 . . . . . . . 109 S CB . 50217 2
52 . 1 . 1 36 36 SER N N 15 116.886 0.036 . . . . . . . 109 S N . 50217 2
53 . 1 . 1 37 37 ALA H H 1 8.287 0.003 . . . . . . . 110 A H . 50217 2
54 . 1 . 1 37 37 ALA CA C 13 54.684 0.055 . . . . . . . 110 A CA . 50217 2
55 . 1 . 1 37 37 ALA CB C 13 17.976 0.020 . . . . . . . 110 A CB . 50217 2
56 . 1 . 1 37 37 ALA N N 15 126.140 0.024 . . . . . . . 110 A N . 50217 2
57 . 1 . 1 38 38 MET H H 1 7.278 0.002 . . . . . . . 111 M H . 50217 2
58 . 1 . 1 38 38 MET CA C 13 55.573 0.007 . . . . . . . 111 M CA . 50217 2
59 . 1 . 1 38 38 MET CB C 13 33.733 0.002 . . . . . . . 111 M CB . 50217 2
60 . 1 . 1 38 38 MET N N 15 114.286 0.008 . . . . . . . 111 M N . 50217 2
61 . 1 . 1 40 40 ALA H H 1 7.920 0.000 . . . . . . . 113 A H . 50217 2
62 . 1 . 1 40 40 ALA CA C 13 49.948 0.000 . . . . . . . 113 A CA . 50217 2
63 . 1 . 1 40 40 ALA CB C 13 24.100 0.000 . . . . . . . 113 A CB . 50217 2
64 . 1 . 1 40 40 ALA N N 15 122.340 0.000 . . . . . . . 113 A N . 50217 2
65 . 1 . 1 41 41 HIS H H 1 8.220 0.001 . . . . . . . 114 H H . 50217 2
66 . 1 . 1 41 41 HIS CA C 13 53.066 0.017 . . . . . . . 114 H CA . 50217 2
67 . 1 . 1 41 41 HIS CB C 13 31.540 0.000 . . . . . . . 114 H CB . 50217 2
68 . 1 . 1 41 41 HIS N N 15 111.171 0.025 . . . . . . . 114 H N . 50217 2
69 . 1 . 1 42 42 LEU H H 1 9.153 0.001 . . . . . . . 115 L H . 50217 2
70 . 1 . 1 42 42 LEU CA C 13 57.026 0.000 . . . . . . . 115 L CA . 50217 2
71 . 1 . 1 42 42 LEU CB C 13 43.313 0.000 . . . . . . . 115 L CB . 50217 2
72 . 1 . 1 42 42 LEU N N 15 125.632 0.009 . . . . . . . 115 L N . 50217 2
73 . 1 . 1 82 82 GLY H H 1 8.518 0.001 . . . . . . . 155 G H . 50217 2
74 . 1 . 1 82 82 GLY CA C 13 45.025 0.000 . . . . . . . 155 G CA . 50217 2
75 . 1 . 1 82 82 GLY N N 15 108.274 0.000 . . . . . . . 155 G N . 50217 2
76 . 1 . 1 93 93 ASP H H 1 9.507 0.010 . . . . . . . 166 D H . 50217 2
77 . 1 . 1 93 93 ASP CA C 13 52.204 0.000 . . . . . . . 166 D CA . 50217 2
78 . 1 . 1 93 93 ASP CB C 13 40.718 0.000 . . . . . . . 166 D CB . 50217 2
79 . 1 . 1 93 93 ASP N N 15 122.150 0.029 . . . . . . . 166 D N . 50217 2
80 . 1 . 1 110 110 ARG H H 1 8.890 0.000 . . . . . . . 183 R H . 50217 2
81 . 1 . 1 110 110 ARG CA C 13 53.058 0.000 . . . . . . . 183 R CA . 50217 2
82 . 1 . 1 110 110 ARG CB C 13 34.362 0.000 . . . . . . . 183 R CB . 50217 2
83 . 1 . 1 110 110 ARG N N 15 123.892 0.025 . . . . . . . 183 R N . 50217 2
84 . 1 . 1 128 128 TYR H H 1 7.709 0.002 . . . . . . . 201 Y H . 50217 2
85 . 1 . 1 128 128 TYR CA C 13 57.757 0.000 . . . . . . . 201 Y CA . 50217 2
86 . 1 . 1 128 128 TYR CB C 13 40.921 0.000 . . . . . . . 201 Y CB . 50217 2
87 . 1 . 1 128 128 TYR N N 15 121.775 0.030 . . . . . . . 201 Y N . 50217 2
88 . 1 . 1 133 133 GLU H H 1 9.493 0.000 . . . . . . . 206 E H . 50217 2
89 . 1 . 1 133 133 GLU CA C 13 54.425 0.000 . . . . . . . 206 E CA . 50217 2
90 . 1 . 1 133 133 GLU CB C 13 34.882 0.000 . . . . . . . 206 E CB . 50217 2
91 . 1 . 1 133 133 GLU N N 15 123.739 0.000 . . . . . . . 206 E N . 50217 2
92 . 1 . 1 135 135 VAL H H 1 8.419 0.001 . . . . . . . 208 V H . 50217 2
93 . 1 . 1 135 135 VAL CA C 13 63.318 0.000 . . . . . . . 208 V CA . 50217 2
94 . 1 . 1 135 135 VAL CB C 13 32.270 0.000 . . . . . . . 208 V CB . 50217 2
95 . 1 . 1 135 135 VAL N N 15 121.546 0.000 . . . . . . . 208 V N . 50217 2
96 . 1 . 1 136 136 GLY H H 1 8.374 0.000 . . . . . . . 209 G H . 50217 2
97 . 1 . 1 136 136 GLY CA C 13 46.086 0.000 . . . . . . . 209 G CA . 50217 2
98 . 1 . 1 136 136 GLY N N 15 111.946 0.013 . . . . . . . 209 G N . 50217 2
99 . 1 . 1 143 143 GLY H H 1 8.393 0.000 . . . . . . . 216 G H . 50217 2
100 . 1 . 1 143 143 GLY CA C 13 45.336 0.000 . . . . . . . 216 G CA . 50217 2
101 . 1 . 1 143 143 GLY N N 15 110.175 0.000 . . . . . . . 216 G N . 50217 2
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save_