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 51180
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'KcsA WT pH 7, 5 mM Ba2+ assignments'
_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 $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
5 '3D HNCO' . . . 51180 2
6 '2D CC' . . . 51180 2
7 '2D NH' . . . 51180 2
12 '3D HNCA' . . . 51180 2
13 '3D HN(CO)CA' . . . 51180 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 . . 51180 2
2 $software_2 . . 51180 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 41 41 LEU C C 13 180.5 0.3 . . . . . . . 41 LEU C . 51180 2
2 . 1 . 1 42 42 ALA H H 1 9.43 0.03 . . . . . . . 42 ALA H . 51180 2
3 . 1 . 1 42 42 ALA C C 13 179.89 0.3 . . . . . . . 42 ALA C . 51180 2
4 . 1 . 1 42 42 ALA N N 15 120.71 0.5 . . . . . . . 42 ALA N . 51180 2
5 . 1 . 1 43 43 GLY H H 1 9.25 0.03 . . . . . . . 43 GLY H . 51180 2
6 . 1 . 1 43 43 GLY N N 15 109.71 0.5 . . . . . . . 43 GLY N . 51180 2
7 . 1 . 1 44 44 SER C C 13 174.46 0.3 . . . . . . . 44 SER C . 51180 2
8 . 1 . 1 44 44 SER CA C 13 64.77 0.3 . . . . . . . 44 SER CA . 51180 2
9 . 1 . 1 44 44 SER CB C 13 63.13 0.3 . . . . . . . 44 SER CB . 51180 2
10 . 1 . 1 45 45 TYR H H 1 7.11 0.03 . . . . . . . 45 TYR H . 51180 2
11 . 1 . 1 45 45 TYR N N 15 120.25 0.5 . . . . . . . 45 TYR N . 51180 2
12 . 1 . 1 48 48 VAL C C 13 178.45 0.3 . . . . . . . 48 VAL C . 51180 2
13 . 1 . 1 48 48 VAL CA C 13 65.93 0.3 . . . . . . . 48 VAL CA . 51180 2
14 . 1 . 1 54 54 ALA H H 1 8.01 0.03 . . . . . . . 54 ALA H . 51180 2
15 . 1 . 1 54 54 ALA C C 13 176.30 0.3 . . . . . . . 54 ALA C . 51180 2
16 . 1 . 1 54 54 ALA CA C 13 50.35 0.3 . . . . . . . 54 ALA CA . 51180 2
17 . 1 . 1 54 54 ALA CB C 13 18.26 0.3 . . . . . . . 54 ALA CB . 51180 2
18 . 1 . 1 54 54 ALA N N 15 126.07 0.5 . . . . . . . 54 ALA N . 51180 2
19 . 1 . 1 55 55 PRO C C 13 178.04 0.3 . . . . . . . 55 PRO C . 51180 2
20 . 1 . 1 55 55 PRO CA C 13 63.63 0.3 . . . . . . . 55 PRO CA . 51180 2
21 . 1 . 1 56 56 GLY H H 1 8.83 0.03 . . . . . . . 56 GLY H . 51180 2
22 . 1 . 1 56 56 GLY N N 15 112.52 0.5 . . . . . . . 56 GLY N . 51180 2
23 . 1 . 1 57 57 ALA C C 13 178.18 0.3 . . . . . . . 57 ALA C . 51180 2
24 . 1 . 1 57 57 ALA CA C 13 53.56 0.3 . . . . . . . 57 ALA CA . 51180 2
25 . 1 . 1 57 57 ALA CB C 13 21.39 0.3 . . . . . . . 57 ALA CB . 51180 2
26 . 1 . 1 59 59 LEU C C 13 174.49 0.3 . . . . . . . 59 LEU C . 51180 2
27 . 1 . 1 59 59 LEU CA C 13 53.53 0.3 . . . . . . . 59 LEU CA . 51180 2
28 . 1 . 1 59 59 LEU CB C 13 39.69 0.3 . . . . . . . 59 LEU CB . 51180 2
29 . 1 . 1 60 60 ILE H H 1 7.08 0.03 . . . . . . . 60 ILE H . 51180 2
30 . 1 . 1 60 60 ILE C C 13 176.08 0.3 . . . . . . . 60 ILE C . 51180 2
31 . 1 . 1 60 60 ILE N N 15 107.08 0.5 . . . . . . . 60 ILE N . 51180 2
32 . 1 . 1 61 61 THR H H 1 7.46 0.03 . . . . . . . 61 THR H . 51180 2
33 . 1 . 1 61 61 THR C C 13 173.73 0.3 . . . . . . . 61 THR C . 51180 2
34 . 1 . 1 61 61 THR N N 15 110.24 0.5 . . . . . . . 61 THR N . 51180 2
35 . 1 . 1 62 62 TYR H H 1 10.34 0.03 . . . . . . . 62 TYR H . 51180 2
36 . 1 . 1 62 62 TYR C C 13 173.89 0.3 . . . . . . . 62 TYR C . 51180 2
37 . 1 . 1 62 62 TYR N N 15 124.47 0.5 . . . . . . . 62 TYR N . 51180 2
38 . 1 . 1 63 63 PRO C C 13 178.89 0.3 . . . . . . . 63 PRO C . 51180 2
39 . 1 . 1 64 64 ARG H H 1 7.10 0.03 . . . . . . . 64 ARG H . 51180 2
40 . 1 . 1 64 64 ARG N N 15 113.45 0.5 . . . . . . . 64 ARG N . 51180 2
41 . 1 . 1 68 68 TRP C C 13 179.73 0.3 . . . . . . . 68 TRP C . 51180 2
42 . 1 . 1 68 68 TRP CA C 13 60.50 0.3 . . . . . . . 68 TRP CA . 51180 2
43 . 1 . 1 69 69 SER H H 1 9.81 0.03 . . . . . . . 69 SER H . 51180 2
44 . 1 . 1 69 69 SER C C 13 176.26 0.3 . . . . . . . 69 SER C . 51180 2
45 . 1 . 1 69 69 SER CA C 13 63.25 0.3 . . . . . . . 69 SER CA . 51180 2
46 . 1 . 1 69 69 SER CB C 13 60.85 0.3 . . . . . . . 69 SER CB . 51180 2
47 . 1 . 1 69 69 SER N N 15 122.82 0.5 . . . . . . . 69 SER N . 51180 2
48 . 1 . 1 70 70 VAL H H 1 7.57 0.03 . . . . . . . 70 VAL H . 51180 2
49 . 1 . 1 70 70 VAL N N 15 124.64 0.5 . . . . . . . 70 VAL N . 51180 2
50 . 1 . 1 72 72 THR C C 13 174.84 0.3 . . . . . . . 72 THR C . 51180 2
51 . 1 . 1 72 72 THR CA C 13 67.82 0.3 . . . . . . . 72 THR CA . 51180 2
52 . 1 . 1 73 73 ALA H H 1 8.41 0.03 . . . . . . . 73 ALA H . 51180 2
53 . 1 . 1 73 73 ALA C C 13 176.68 0.3 . . . . . . . 73 ALA C . 51180 2
54 . 1 . 1 73 73 ALA CA C 13 55.48 0.3 . . . . . . . 73 ALA CA . 51180 2
55 . 1 . 1 73 73 ALA N N 15 125.81 0.5 . . . . . . . 73 ALA N . 51180 2
56 . 1 . 1 74 74 THR H H 1 7.17 0.03 . . . . . . . 74 THR H . 51180 2
57 . 1 . 1 74 74 THR C C 13 176.99 0.3 . . . . . . . 74 THR C . 51180 2
58 . 1 . 1 74 74 THR CA C 13 61.59 0.3 . . . . . . . 74 THR CA . 51180 2
59 . 1 . 1 74 74 THR CB C 13 70.25 0.3 . . . . . . . 74 THR CB . 51180 2
60 . 1 . 1 74 74 THR N N 15 98.46 0.5 . . . . . . . 74 THR N . 51180 2
61 . 1 . 1 75 75 THR H H 1 7.65 0.03 . . . . . . . 75 THR H . 51180 2
62 . 1 . 1 75 75 THR C C 13 174.51 0.3 . . . . . . . 75 THR C . 51180 2
63 . 1 . 1 75 75 THR CA C 13 62.35 0.3 . . . . . . . 75 THR CA . 51180 2
64 . 1 . 1 75 75 THR CB C 13 69.84 0.3 . . . . . . . 75 THR CB . 51180 2
65 . 1 . 1 75 75 THR N N 15 111.45 0.5 . . . . . . . 75 THR N . 51180 2
66 . 1 . 1 76 76 VAL H H 1 7.71 0.03 . . . . . . . 76 VAL H . 51180 2
67 . 1 . 1 76 76 VAL C C 13 177.06 0.3 . . . . . . . 76 VAL C . 51180 2
68 . 1 . 1 76 76 VAL CA C 13 66.80 0.3 . . . . . . . 76 VAL CA . 51180 2
69 . 1 . 1 76 76 VAL N N 15 128.27 0.5 . . . . . . . 76 VAL N . 51180 2
70 . 1 . 1 77 77 GLY H H 1 7.76 0.03 . . . . . . . 77 GLY H . 51180 2
71 . 1 . 1 77 77 GLY C C 13 174.85 0.3 . . . . . . . 77 GLY C . 51180 2
72 . 1 . 1 77 77 GLY CA C 13 49.30 0.3 . . . . . . . 77 GLY CA . 51180 2
73 . 1 . 1 77 77 GLY N N 15 102.05 0.5 . . . . . . . 77 GLY N . 51180 2
74 . 1 . 1 78 78 TYR C C 13 176.63 0.3 . . . . . . . 78 TYR C . 51180 2
75 . 1 . 1 79 79 GLY H H 1 9.51 0.03 . . . . . . . 79 GLY H . 51180 2
76 . 1 . 1 79 79 GLY C C 13 174.46 0.3 . . . . . . . 79 GLY C . 51180 2
77 . 1 . 1 79 79 GLY CA C 13 45.50 0.3 . . . . . . . 79 GLY CA . 51180 2
78 . 1 . 1 79 79 GLY N N 15 101.19 0.5 . . . . . . . 79 GLY N . 51180 2
79 . 1 . 1 80 80 ASP H H 1 8.85 0.03 . . . . . . . 80 ASP H . 51180 2
80 . 1 . 1 80 80 ASP C C 13 175.59 0.3 . . . . . . . 80 ASP C . 51180 2
81 . 1 . 1 80 80 ASP CA C 13 55.65 0.3 . . . . . . . 80 ASP CA . 51180 2
82 . 1 . 1 80 80 ASP CB C 13 37.55 0.3 . . . . . . . 80 ASP CB . 51180 2
83 . 1 . 1 80 80 ASP N N 15 118.50 0.5 . . . . . . . 80 ASP N . 51180 2
84 . 1 . 1 81 81 LEU H H 1 7.27 0.03 . . . . . . . 81 LEU H . 51180 2
85 . 1 . 1 81 81 LEU C C 13 175.81 0.3 . . . . . . . 81 LEU C . 51180 2
86 . 1 . 1 81 81 LEU CA C 13 53.22 0.3 . . . . . . . 81 LEU CA . 51180 2
87 . 1 . 1 81 81 LEU CB C 13 47.98 0.3 . . . . . . . 81 LEU CB . 51180 2
88 . 1 . 1 81 81 LEU N N 15 117.9 0.5 . . . . . . . 81 LEU N . 51180 2
89 . 1 . 1 82 82 TYR H H 1 7.68 0.03 . . . . . . . 82 TYR H . 51180 2
90 . 1 . 1 82 82 TYR C C 13 172.03 0.3 . . . . . . . 82 TYR C . 51180 2
91 . 1 . 1 82 82 TYR CA C 13 55.37 0.3 . . . . . . . 82 TYR CA . 51180 2
92 . 1 . 1 82 82 TYR CB C 13 35.1 0.3 . . . . . . . 82 TYR CB . 51180 2
93 . 1 . 1 82 82 TYR N N 15 115.52 0.5 . . . . . . . 82 TYR N . 51180 2
94 . 1 . 1 83 83 PRO C C 13 176.61 0.3 . . . . . . . 83 PRO C . 51180 2
95 . 1 . 1 84 84 VAL H H 1 11.12 0.03 . . . . . . . 84 VAL H . 51180 2
96 . 1 . 1 84 84 VAL C C 13 176.34 0.3 . . . . . . . 84 VAL C . 51180 2
97 . 1 . 1 84 84 VAL N N 15 119.14 0.5 . . . . . . . 84 VAL N . 51180 2
98 . 1 . 1 85 85 THR H H 1 9.18 0.03 . . . . . . . 85 THR H . 51180 2
99 . 1 . 1 85 85 THR C C 13 175.01 0.3 . . . . . . . 85 THR C . 51180 2
100 . 1 . 1 85 85 THR CA C 13 60.97 0.3 . . . . . . . 85 THR CA . 51180 2
101 . 1 . 1 85 85 THR CB C 13 72.78 0.3 . . . . . . . 85 THR CB . 51180 2
102 . 1 . 1 85 85 THR N N 15 116.4 0.5 . . . . . . . 85 THR N . 51180 2
stop_
save_