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 51181
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'KcsA_E71V 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' . . . 51181 2
6 '3D HNCA' . . . 51181 2
7 '2D CC' . . . 51181 2
8 '2D NH' . . . 51181 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 . . 51181 2
2 $software_2 . . 51181 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 13 180.55 0.3 . . . . . . . 41 LEU C . 51181 2
2 . 1 . 1 42 42 ALA H H 1 9.38 0.03 . . . . . . . 42 ALA H . 51181 2
3 . 1 . 1 42 42 ALA C C 13 179.92 0.3 . . . . . . . 42 ALA C . 51181 2
4 . 1 . 1 42 42 ALA CA C 13 54.48 0.3 . . . . . . . 42 ALA CA . 51181 2
5 . 1 . 1 42 42 ALA N N 15 120.76 0.5 . . . . . . . 42 ALA N . 51181 2
6 . 1 . 1 43 43 GLY H H 1 9.16 0.03 . . . . . . . 43 GLY H . 51181 2
7 . 1 . 1 43 43 GLY C C 13 175.84 0.3 . . . . . . . 43 GLY C . 51181 2
8 . 1 . 1 43 43 GLY CA C 13 47.34 0.3 . . . . . . . 43 GLY CA . 51181 2
9 . 1 . 1 43 43 GLY N N 15 109.73 0.5 . . . . . . . 43 GLY N . 51181 2
10 . 1 . 1 44 44 SER H H 1 7.61 0.03 . . . . . . . 44 SER H . 51181 2
11 . 1 . 1 44 44 SER C C 13 174.37 0.3 . . . . . . . 44 SER C . 51181 2
12 . 1 . 1 44 44 SER CA C 13 64.6 0.3 . . . . . . . 44 SER CA . 51181 2
13 . 1 . 1 44 44 SER CB C 13 63.2 0.3 . . . . . . . 44 SER CB . 51181 2
14 . 1 . 1 44 44 SER N N 15 115.41 0.5 . . . . . . . 44 SER N . 51181 2
15 . 1 . 1 45 45 TYR H H 1 7.03 0.03 . . . . . . . 45 TYR H . 51181 2
16 . 1 . 1 45 45 TYR CA C 13 61.45 0.3 . . . . . . . 45 TYR CA . 51181 2
17 . 1 . 1 45 45 TYR N N 15 120.29 0.5 . . . . . . . 45 TYR N . 51181 2
18 . 1 . 1 47 47 ALA C C 13 178.12 0.3 . . . . . . . 47 ALA C . 51181 2
19 . 1 . 1 48 48 VAL H H 1 7.03 0.03 . . . . . . . 48 VAL H . 51181 2
20 . 1 . 1 48 48 VAL CA C 13 65.71 0.3 . . . . . . . 48 VAL CA . 51181 2
21 . 1 . 1 48 48 VAL CB C 13 30.59 0.3 . . . . . . . 48 VAL CB . 51181 2
22 . 1 . 1 48 48 VAL N N 15 116.92 0.5 . . . . . . . 48 VAL N . 51181 2
23 . 1 . 1 53 53 GLY C C 13 174.28 0.3 . . . . . . . 53 GLY C . 51181 2
24 . 1 . 1 54 54 ALA H H 1 7.91 0.03 . . . . . . . 54 ALA H . 51181 2
25 . 1 . 1 54 54 ALA C C 13 176.22 0.3 . . . . . . . 54 ALA C . 51181 2
26 . 1 . 1 54 54 ALA CA C 13 49.88 0.3 . . . . . . . 54 ALA CA . 51181 2
27 . 1 . 1 54 54 ALA N N 15 125.99 0.5 . . . . . . . 54 ALA N . 51181 2
28 . 1 . 1 55 55 PRO C C 13 177.84 0.3 . . . . . . . 55 PRO C . 51181 2
29 . 1 . 1 56 56 GLY H H 1 8.72 0.03 . . . . . . . 56 GLY H . 51181 2
30 . 1 . 1 56 56 GLY C C 13 174.25 0.3 . . . . . . . 56 GLY C . 51181 2
31 . 1 . 1 56 56 GLY N N 15 112.56 0.5 . . . . . . . 56 GLY N . 51181 2
32 . 1 . 1 57 57 ALA H H 1 7.47 0.03 . . . . . . . 57 ALA H . 51181 2
33 . 1 . 1 57 57 ALA CA C 13 53.22 0.3 . . . . . . . 57 ALA CA . 51181 2
34 . 1 . 1 57 57 ALA N N 15 121.9 0.5 . . . . . . . 57 ALA N . 51181 2
35 . 1 . 1 59 59 LEU C C 13 174.57 0.3 . . . . . . . 59 LEU C . 51181 2
36 . 1 . 1 59 59 LEU CA C 13 53.2 0.3 . . . . . . . 59 LEU CA . 51181 2
37 . 1 . 1 59 59 LEU CB C 13 39.6 0.3 . . . . . . . 59 LEU CB . 51181 2
38 . 1 . 1 60 60 ILE H H 1 7.04 0.03 . . . . . . . 60 ILE H . 51181 2
39 . 1 . 1 60 60 ILE C C 13 175.89 0.3 . . . . . . . 60 ILE C . 51181 2
40 . 1 . 1 60 60 ILE CA C 13 61.74 0.3 . . . . . . . 60 ILE CA . 51181 2
41 . 1 . 1 60 60 ILE N N 15 106.58 0.5 . . . . . . . 60 ILE N . 51181 2
42 . 1 . 1 61 61 THR H H 1 7.38 0.03 . . . . . . . 61 THR H . 51181 2
43 . 1 . 1 61 61 THR C C 13 173.89 0.3 . . . . . . . 61 THR C . 51181 2
44 . 1 . 1 61 61 THR CA C 13 58.74 0.3 . . . . . . . 61 THR CA . 51181 2
45 . 1 . 1 61 61 THR CB C 13 71.75 0.3 . . . . . . . 61 THR CB . 51181 2
46 . 1 . 1 61 61 THR N N 15 110.3 0.5 . . . . . . . 61 THR N . 51181 2
47 . 1 . 1 62 62 TYR H H 1 10.32 0.03 . . . . . . . 62 TYR H . 51181 2
48 . 1 . 1 62 62 TYR CA C 13 63.83 0.3 . . . . . . . 62 TYR CA . 51181 2
49 . 1 . 1 62 62 TYR N N 15 124.55 0.5 . . . . . . . 62 TYR N . 51181 2
50 . 1 . 1 63 63 PRO C C 13 178.73 0.3 . . . . . . . 63 PRO C . 51181 2
51 . 1 . 1 64 64 ARG H H 1 7.03 0.03 . . . . . . . 64 ARG H . 51181 2
52 . 1 . 1 64 64 ARG CA C 13 60.42 0.3 . . . . . . . 64 ARG CA . 51181 2
53 . 1 . 1 64 64 ARG N N 15 113.58 0.5 . . . . . . . 64 ARG N . 51181 2
54 . 1 . 1 65 65 ALA C C 13 178.65 0.3 . . . . . . . 65 ALA C . 51181 2
55 . 1 . 1 66 66 LEU H H 1 8.86 0.03 . . . . . . . 66 LEU H . 51181 2
56 . 1 . 1 66 66 LEU C C 13 180.28 0.3 . . . . . . . 66 LEU C . 51181 2
57 . 1 . 1 66 66 LEU CA C 13 57.74 0.3 . . . . . . . 66 LEU CA . 51181 2
58 . 1 . 1 66 66 LEU N N 15 121.51 0.5 . . . . . . . 66 LEU N . 51181 2
59 . 1 . 1 67 67 TRP H H 1 7.62 0.03 . . . . . . . 67 TRP H . 51181 2
60 . 1 . 1 67 67 TRP CA C 13 59.23 0.3 . . . . . . . 67 TRP CA . 51181 2
61 . 1 . 1 67 67 TRP N N 15 120.01 0.5 . . . . . . . 67 TRP N . 51181 2
62 . 1 . 1 68 68 TRP H H 1 8.57 0.03 . . . . . . . 68 TRP H . 51181 2
63 . 1 . 1 68 68 TRP C C 13 179.48 0.3 . . . . . . . 68 TRP C . 51181 2
64 . 1 . 1 68 68 TRP CA C 13 60.79 0.3 . . . . . . . 68 TRP CA . 51181 2
65 . 1 . 1 68 68 TRP N N 15 119.16 0.5 . . . . . . . 68 TRP N . 51181 2
66 . 1 . 1 69 69 SER H H 1 9.83 0.03 . . . . . . . 69 SER H . 51181 2
67 . 1 . 1 69 69 SER C C 13 175.97 0.3 . . . . . . . 69 SER C . 51181 2
68 . 1 . 1 69 69 SER CA C 13 63.29 0.3 . . . . . . . 69 SER CA . 51181 2
69 . 1 . 1 69 69 SER N N 15 123.33 0.5 . . . . . . . 69 SER N . 51181 2
70 . 1 . 1 70 70 VAL H H 1 7.35 0.03 . . . . . . . 70 VAL H . 51181 2
71 . 1 . 1 70 70 VAL CA C 13 66.48 0.3 . . . . . . . 70 VAL CA . 51181 2
72 . 1 . 1 70 70 VAL N N 15 124.53 0.5 . . . . . . . 70 VAL N . 51181 2
73 . 1 . 1 72 72 THR C C 13 174.91 0.3 . . . . . . . 72 THR C . 51181 2
74 . 1 . 1 72 72 THR CA C 13 67.43 0.3 . . . . . . . 72 THR CA . 51181 2
75 . 1 . 1 72 72 THR CB C 13 68.68 0.3 . . . . . . . 72 THR CB . 51181 2
76 . 1 . 1 73 73 ALA H H 1 8.46 0.03 . . . . . . . 73 ALA H . 51181 2
77 . 1 . 1 73 73 ALA C C 13 176.18 0.3 . . . . . . . 73 ALA C . 51181 2
78 . 1 . 1 73 73 ALA CA C 13 55.55 0.3 . . . . . . . 73 ALA CA . 51181 2
79 . 1 . 1 73 73 ALA N N 15 124.06 0.5 . . . . . . . 73 ALA N . 51181 2
80 . 1 . 1 74 74 THR H H 1 6.95 0.03 . . . . . . . 74 THR H . 51181 2
81 . 1 . 1 74 74 THR C C 13 176.68 0.3 . . . . . . . 74 THR C . 51181 2
82 . 1 . 1 74 74 THR CA C 13 61.93 0.3 . . . . . . . 74 THR CA . 51181 2
83 . 1 . 1 74 74 THR CB C 13 70.73 0.3 . . . . . . . 74 THR CB . 51181 2
84 . 1 . 1 74 74 THR N N 15 98.01 0.5 . . . . . . . 74 THR N . 51181 2
85 . 1 . 1 75 75 THR H H 1 7.46 0.03 . . . . . . . 75 THR H . 51181 2
86 . 1 . 1 75 75 THR C C 13 173.11 0.3 . . . . . . . 75 THR C . 51181 2
87 . 1 . 1 75 75 THR CA C 13 64.14 0.3 . . . . . . . 75 THR CA . 51181 2
88 . 1 . 1 75 75 THR CB C 13 69.11 0.3 . . . . . . . 75 THR CB . 51181 2
89 . 1 . 1 75 75 THR N N 15 110.9 0.5 . . . . . . . 75 THR N . 51181 2
90 . 1 . 1 76 76 VAL H H 1 7.62 0.03 . . . . . . . 76 VAL H . 51181 2
91 . 1 . 1 76 76 VAL C C 13 179.82 0.3 . . . . . . . 76 VAL C . 51181 2
92 . 1 . 1 76 76 VAL CA C 13 67.35 0.3 . . . . . . . 76 VAL CA . 51181 2
93 . 1 . 1 76 76 VAL N N 15 126.94 0.5 . . . . . . . 76 VAL N . 51181 2
94 . 1 . 1 77 77 GLY H H 1 7.91 0.03 . . . . . . . 77 GLY H . 51181 2
95 . 1 . 1 77 77 GLY C C 13 173.15 0.3 . . . . . . . 77 GLY C . 51181 2
96 . 1 . 1 77 77 GLY CA C 13 47.74 0.3 . . . . . . . 77 GLY CA . 51181 2
97 . 1 . 1 77 77 GLY N N 15 104.15 0.5 . . . . . . . 77 GLY N . 51181 2
98 . 1 . 1 78 78 TYR H H 1 5.66 0.03 . . . . . . . 78 TYR H . 51181 2
99 . 1 . 1 78 78 TYR C C 13 177.75 0.3 . . . . . . . 78 TYR C . 51181 2
100 . 1 . 1 78 78 TYR CA C 13 60.55 0.3 . . . . . . . 78 TYR CA . 51181 2
101 . 1 . 1 78 78 TYR CB C 13 39.26 0.3 . . . . . . . 78 TYR CB . 51181 2
102 . 1 . 1 78 78 TYR N N 15 112.02 0.5 . . . . . . . 78 TYR N . 51181 2
103 . 1 . 1 79 79 GLY H H 1 9.14 0.03 . . . . . . . 79 GLY H . 51181 2
104 . 1 . 1 79 79 GLY C C 13 174.32 0.3 . . . . . . . 79 GLY C . 51181 2
105 . 1 . 1 79 79 GLY CA C 13 45.53 0.3 . . . . . . . 79 GLY CA . 51181 2
106 . 1 . 1 79 79 GLY N N 15 100.35 0.5 . . . . . . . 79 GLY N . 51181 2
107 . 1 . 1 80 80 ASP H H 1 9.82 0.03 . . . . . . . 80 ASP H . 51181 2
108 . 1 . 1 80 80 ASP C C 13 176.03 0.3 . . . . . . . 80 ASP C . 51181 2
109 . 1 . 1 80 80 ASP CA C 13 56.12 0.3 . . . . . . . 80 ASP CA . 51181 2
110 . 1 . 1 80 80 ASP CB C 13 36.2 0.3 . . . . . . . 80 ASP CB . 51181 2
111 . 1 . 1 80 80 ASP N N 15 119.93 0.5 . . . . . . . 80 ASP N . 51181 2
112 . 1 . 1 81 81 LEU H H 1 6.83 0.03 . . . . . . . 81 LEU H . 51181 2
113 . 1 . 1 81 81 LEU C C 13 175.81 0.3 . . . . . . . 81 LEU C . 51181 2
114 . 1 . 1 81 81 LEU CA C 13 52.91 0.3 . . . . . . . 81 LEU CA . 51181 2
115 . 1 . 1 81 81 LEU CB C 13 47.2 0.3 . . . . . . . 81 LEU CB . 51181 2
116 . 1 . 1 81 81 LEU N N 15 116.47 0.5 . . . . . . . 81 LEU N . 51181 2
117 . 1 . 1 82 82 TYR H H 1 7.72 0.03 . . . . . . . 82 TYR H . 51181 2
118 . 1 . 1 82 82 TYR CA C 13 55.6 0.3 . . . . . . . 82 TYR CA . 51181 2
119 . 1 . 1 82 82 TYR CB C 13 35.17 0.3 . . . . . . . 82 TYR CB . 51181 2
120 . 1 . 1 82 82 TYR N N 15 115.32 0.5 . . . . . . . 82 TYR N . 51181 2
121 . 1 . 1 83 83 PRO C C 13 176.62 0.3 . . . . . . . 83 PRO C . 51181 2
122 . 1 . 1 84 84 VAL H H 1 11.06 0.03 . . . . . . . 84 VAL H . 51181 2
123 . 1 . 1 84 84 VAL C C 13 176.24 0.3 . . . . . . . 84 VAL C . 51181 2
124 . 1 . 1 84 84 VAL CA C 13 60.91 0.3 . . . . . . . 84 VAL CA . 51181 2
125 . 1 . 1 84 84 VAL N N 15 119.75 0.5 . . . . . . . 84 VAL N . 51181 2
126 . 1 . 1 85 85 THR H H 1 9.17 0.03 . . . . . . . 85 THR H . 51181 2
127 . 1 . 1 85 85 THR C C 13 175.2 0.3 . . . . . . . 85 THR C . 51181 2
128 . 1 . 1 85 85 THR CA C 13 60.74 0.3 . . . . . . . 85 THR CA . 51181 2
129 . 1 . 1 85 85 THR CB C 13 72.6 0.3 . . . . . . . 85 THR CB . 51181 2
130 . 1 . 1 85 85 THR N N 15 116.63 0.5 . . . . . . . 85 THR N . 51181 2
131 . 1 . 1 86 86 LEU H H 1 8.74 0.03 . . . . . . . 86 LEU H . 51181 2
132 . 1 . 1 86 86 LEU C C 13 178.15 0.3 . . . . . . . 86 LEU C . 51181 2
133 . 1 . 1 86 86 LEU CA C 13 58.74 0.3 . . . . . . . 86 LEU CA . 51181 2
134 . 1 . 1 86 86 LEU N N 15 123 0.5 . . . . . . . 86 LEU N . 51181 2
135 . 1 . 1 87 87 TRP H H 1 7.25 0.03 . . . . . . . 87 TRP H . 51181 2
136 . 1 . 1 87 87 TRP CA C 13 59.47 0.3 . . . . . . . 87 TRP CA . 51181 2
137 . 1 . 1 87 87 TRP N N 15 115.77 0.5 . . . . . . . 87 TRP N . 51181 2
stop_
save_