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 51663
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name cov2cc.BMRB
_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' . . . 51663 1
2 '3D HNCACB' . . . 51663 1
3 '3D CBCACONH' . . . 51663 1
4 HNCO . . . 51663 1
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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 . . 51663 1
2 $software_2 . . 51663 1
3 $software_3 . . 51663 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 CYS H H 1 8.492 0.001 . 1 . . . . . 2 CYS HN . 51663 1
2 . 1 . 1 2 2 CYS C C 13 174.412 0 . 1 . . . . . 2 CYS CO . 51663 1
3 . 1 . 1 2 2 CYS CA C 13 58.61 0.112 . 1 . . . . . 2 CYS CA . 51663 1
4 . 1 . 1 2 2 CYS CB C 13 33.102 0.043 . 1 . . . . . 2 CYS CB . 51663 1
5 . 1 . 1 2 2 CYS N N 15 124.426 0.008 . 1 . . . . . 2 CYS N . 51663 1
6 . 1 . 1 3 3 LYS H H 1 8.335 0.025 . 1 . . . . . 3 LYS HN . 51663 1
7 . 1 . 1 3 3 LYS C C 13 176.032 0 . 1 . . . . . 3 LYS CO . 51663 1
8 . 1 . 1 3 3 LYS CA C 13 57.247 0 . 1 . . . . . 3 LYS CA . 51663 1
9 . 1 . 1 3 3 LYS CB C 13 33.22 0 . 1 . . . . . 3 LYS CB . 51663 1
10 . 1 . 1 3 3 LYS N N 15 121.542 0 . 1 . . . . . 3 LYS N . 51663 1
11 . 1 . 1 4 4 PHE H H 1 8.31 0.002 . 1 . . . . . 4 PHE HN . 51663 1
12 . 1 . 1 4 4 PHE C C 13 175.347 0 . 1 . . . . . 4 PHE CO . 51663 1
13 . 1 . 1 4 4 PHE CA C 13 57.505 0 . 1 . . . . . 4 PHE CA . 51663 1
14 . 1 . 1 4 4 PHE CB C 13 39.169 0 . 1 . . . . . 4 PHE CB . 51663 1
15 . 1 . 1 4 4 PHE N N 15 122.005 0.001 . 1 . . . . . 4 PHE N . 51663 1
16 . 1 . 1 5 5 ASP H H 1 8.315 0.014 . 1 . . . . . 5 ASP HN . 51663 1
17 . 1 . 1 5 5 ASP C C 13 176.085 0 . 1 . . . . . 5 ASP CO . 51663 1
18 . 1 . 1 5 5 ASP CA C 13 54.492 0.145 . 1 . . . . . 5 ASP CA . 51663 1
19 . 1 . 1 5 5 ASP CB C 13 41.019 0.043 . 1 . . . . . 5 ASP CB . 51663 1
20 . 1 . 1 5 5 ASP N N 15 122.117 0.15 . 1 . . . . . 5 ASP N . 51663 1
21 . 1 . 1 6 6 GLU H H 1 8.262 0.012 . 1 . . . . . 6 GLU HN . 51663 1
22 . 1 . 1 6 6 GLU C C 13 176.218 0 . 1 . . . . . 6 GLU CO . 51663 1
23 . 1 . 1 6 6 GLU CA C 13 57.005 0.085 . 1 . . . . . 6 GLU CA . 51663 1
24 . 1 . 1 6 6 GLU CB C 13 30.128 0.055 . 1 . . . . . 6 GLU CB . 51663 1
25 . 1 . 1 6 6 GLU N N 15 120.784 0.058 . 1 . . . . . 6 GLU N . 51663 1
26 . 1 . 1 7 7 ASP H H 1 8.37 0.001 . 1 . . . . . 7 ASP HN . 51663 1
27 . 1 . 1 7 7 ASP C C 13 176.012 0 . 1 . . . . . 7 ASP CO . 51663 1
28 . 1 . 1 7 7 ASP CA C 13 54.4 0.055 . 1 . . . . . 7 ASP CA . 51663 1
29 . 1 . 1 7 7 ASP CB C 13 41.305 0.11 . 1 . . . . . 7 ASP CB . 51663 1
30 . 1 . 1 7 7 ASP N N 15 121.463 0.409 . 1 . . . . . 7 ASP N . 51663 1
31 . 1 . 1 8 8 ASP H H 1 8.309 0.004 . 1 . . . . . 8 ASP HN . 51663 1
32 . 1 . 1 8 8 ASP C C 13 176.295 0.037 . 1 . . . . . 8 ASP CO . 51663 1
33 . 1 . 1 8 8 ASP CA C 13 54.346 0.045 . 1 . . . . . 8 ASP CA . 51663 1
34 . 1 . 1 8 8 ASP CB C 13 40.97 0.16 . 1 . . . . . 8 ASP CB . 51663 1
35 . 1 . 1 8 8 ASP N N 15 121.615 0.057 . 1 . . . . . 8 ASP N . 51663 1
36 . 1 . 1 9 9 SER H H 1 8.25 0.001 . 1 . . . . . 9 SER HN . 51663 1
37 . 1 . 1 9 9 SER C C 13 174.305 0 . 1 . . . . . 9 SER CO . 51663 1
38 . 1 . 1 9 9 SER CA C 13 58.882 0.095 . 1 . . . . . 9 SER CA . 51663 1
39 . 1 . 1 9 9 SER CB C 13 64.157 0.024 . 1 . . . . . 9 SER CB . 51663 1
40 . 1 . 1 9 9 SER N N 15 116.079 0.058 . 1 . . . . . 9 SER N . 51663 1
41 . 1 . 1 10 10 GLU H H 1 8.332 0.002 . 1 . . . . . 10 GLU HN . 51663 1
42 . 1 . 1 10 10 GLU CA C 13 54.573 0.101 . 1 . . . . . 10 GLU CA . 51663 1
43 . 1 . 1 10 10 GLU CB C 13 29.927 0.347 . 1 . . . . . 10 GLU CB . 51663 1
44 . 1 . 1 10 10 GLU N N 15 123.66 0.058 . 1 . . . . . 10 GLU N . 51663 1
45 . 1 . 1 11 11 PRO C C 13 176.962 0 . 1 . . . . . 11 PRO CO . 51663 1
46 . 1 . 1 11 11 PRO CA C 13 63.085 0.241 . 1 . . . . . 11 PRO CA . 51663 1
47 . 1 . 1 11 11 PRO CB C 13 32.167 0.395 . 1 . . . . . 11 PRO CB . 51663 1
48 . 1 . 1 12 12 VAL H H 1 8.206 0.002 . 1 . . . . . 12 VAL HN . 51663 1
49 . 1 . 1 12 12 VAL C C 13 176.256 0.034 . 1 . . . . . 12 VAL CO . 51663 1
50 . 1 . 1 12 12 VAL CA C 13 63.011 0.09 . 1 . . . . . 12 VAL CA . 51663 1
51 . 1 . 1 12 12 VAL CB C 13 32.123 0.125 . 1 . . . . . 12 VAL CB . 51663 1
52 . 1 . 1 12 12 VAL N N 15 120.545 0.058 . 1 . . . . . 12 VAL N . 51663 1
53 . 1 . 1 13 13 LEU H H 1 8.295 0.003 . 1 . . . . . 13 LEU HN . 51663 1
54 . 1 . 1 13 13 LEU C C 13 177.109 0 . 1 . . . . . 13 LEU CO . 51663 1
55 . 1 . 1 13 13 LEU CA C 13 55.059 0.09 . 1 . . . . . 13 LEU CA . 51663 1
56 . 1 . 1 13 13 LEU CB C 13 42.167 0.233 . 1 . . . . . 13 LEU CB . 51663 1
57 . 1 . 1 13 13 LEU N N 15 125.722 0.058 . 1 . . . . . 13 LEU N . 51663 1
58 . 1 . 1 14 14 LYS H H 1 8.295 0.004 . 1 . . . . . 14 LYS HN . 51663 1
59 . 1 . 1 14 14 LYS C C 13 176.983 0 . 1 . . . . . 14 LYS CO . 51663 1
60 . 1 . 1 14 14 LYS CA C 13 56.592 0.055 . 1 . . . . . 14 LYS CA . 51663 1
61 . 1 . 1 14 14 LYS CB C 13 32.853 0.014 . 1 . . . . . 14 LYS CB . 51663 1
62 . 1 . 1 14 14 LYS N N 15 122.416 0.204 . 1 . . . . . 14 LYS N . 51663 1
63 . 1 . 1 15 15 GLY H H 1 8.4 0.001 . 1 . . . . . 15 GLY HN . 51663 1
64 . 1 . 1 15 15 GLY C C 13 173.949 0 . 1 . . . . . 15 GLY CO . 51663 1
65 . 1 . 1 15 15 GLY CA C 13 45.394 0.089 . 1 . . . . . 15 GLY CA . 51663 1
66 . 1 . 1 15 15 GLY N N 15 109.983 0.23 . 1 . . . . . 15 GLY N . 51663 1
67 . 1 . 1 16 16 VAL H H 1 7.911 0.001 . 1 . . . . . 16 VAL HN . 51663 1
68 . 1 . 1 16 16 VAL C C 13 175.894 0 . 1 . . . . . 16 VAL CO . 51663 1
69 . 1 . 1 16 16 VAL CA C 13 62.276 0.123 . 1 . . . . . 16 VAL CA . 51663 1
70 . 1 . 1 16 16 VAL CB C 13 32.635 0.068 . 1 . . . . . 16 VAL CB . 51663 1
71 . 1 . 1 16 16 VAL N N 15 119.497 0.049 . 1 . . . . . 16 VAL N . 51663 1
72 . 1 . 1 17 17 LYS H H 1 8.356 0.002 . 1 . . . . . 17 LYS HN . 51663 1
73 . 1 . 1 17 17 LYS C C 13 176.003 0 . 1 . . . . . 17 LYS CO . 51663 1
74 . 1 . 1 17 17 LYS CA C 13 55.975 0.014 . 1 . . . . . 17 LYS CA . 51663 1
75 . 1 . 1 17 17 LYS CB C 13 32.909 0.041 . 1 . . . . . 17 LYS CB . 51663 1
76 . 1 . 1 17 17 LYS N N 15 125.33 0.058 . 1 . . . . . 17 LYS N . 51663 1
77 . 1 . 1 18 18 LEU H H 1 8.221 0.002 . 1 . . . . . 18 LEU HN . 51663 1
78 . 1 . 1 18 18 LEU C C 13 176.644 0 . 1 . . . . . 18 LEU CO . 51663 1
79 . 1 . 1 18 18 LEU CA C 13 55.168 0.164 . 1 . . . . . 18 LEU CA . 51663 1
80 . 1 . 1 18 18 LEU CB C 13 42.494 0.071 . 1 . . . . . 18 LEU CB . 51663 1
81 . 1 . 1 18 18 LEU N N 15 124.078 0.058 . 1 . . . . . 18 LEU N . 51663 1
82 . 1 . 1 19 19 HIS H H 1 8.193 0.001 . 1 . . . . . 19 HIS HN . 51663 1
83 . 1 . 1 19 19 HIS C C 13 174.36 0 . 1 . . . . . 19 HIS CO . 51663 1
84 . 1 . 1 19 19 HIS CA C 13 55.524 0.082 . 1 . . . . . 19 HIS CA . 51663 1
85 . 1 . 1 19 19 HIS CB C 13 30.538 0.028 . 1 . . . . . 19 HIS CB . 51663 1
86 . 1 . 1 19 19 HIS N N 15 119.648 0.204 . 1 . . . . . 19 HIS N . 51663 1
87 . 1 . 1 20 20 TYR H H 1 8.169 0.003 . 1 . . . . . 20 TYR HN . 51663 1
88 . 1 . 1 20 20 TYR C C 13 175.072 0 . 1 . . . . . 20 TYR CO . 51663 1
89 . 1 . 1 20 20 TYR CA C 13 57.934 0.082 . 1 . . . . . 20 TYR CA . 51663 1
90 . 1 . 1 20 20 TYR CB C 13 38.758 0.082 . 1 . . . . . 20 TYR CB . 51663 1
91 . 1 . 1 20 20 TYR N N 15 121.846 0.058 . 1 . . . . . 20 TYR N . 51663 1
92 . 1 . 1 21 21 THR H H 1 7.747 0.002 . 1 . . . . . 21 THR HN . 51663 1
93 . 1 . 1 21 21 THR CA C 13 63.112 0 . 1 . . . . . 21 THR CA . 51663 1
94 . 1 . 1 21 21 THR CB C 13 70.838 0 . 1 . . . . . 21 THR CB . 51663 1
95 . 1 . 1 21 21 THR N N 15 120.191 0.058 . 1 . . . . . 21 THR N . 51663 1
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save_