Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51181
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'KcsA E71V pH 3, 0 mM K+ assignments'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
9 '3D HNCO' . . . 51181 3
10 '3D HNCA' . . . 51181 3
11 '2D CC' . . . 51181 3
12 '2D NH' . . . 51181 3
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 3
2 $software_2 . . 51181 3
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 13 180.74 0.3 . . . . . . . 41 LEU C . 51181 3
2 . 1 . 1 42 42 ALA H H 1 9.36 0.03 . . . . . . . 42 ALA H . 51181 3
3 . 1 . 1 42 42 ALA C C 13 179.85 0.3 . . . . . . . 42 ALA C . 51181 3
4 . 1 . 1 42 42 ALA CA C 13 54.96 0.3 . . . . . . . 42 ALA CA . 51181 3
5 . 1 . 1 42 42 ALA N N 15 121.09 0.5 . . . . . . . 42 ALA N . 51181 3
6 . 1 . 1 43 43 GLY H H 1 9.31 0.03 . . . . . . . 43 GLY H . 51181 3
7 . 1 . 1 43 43 GLY C C 13 175.71 0.3 . . . . . . . 43 GLY C . 51181 3
8 . 1 . 1 43 43 GLY CA C 13 46.99 0.3 . . . . . . . 43 GLY CA . 51181 3
9 . 1 . 1 43 43 GLY N N 15 109.46 0.5 . . . . . . . 43 GLY N . 51181 3
10 . 1 . 1 44 44 SER H H 1 7.85 0.03 . . . . . . . 44 SER H . 51181 3
11 . 1 . 1 44 44 SER C C 13 174.3 0.3 . . . . . . . 44 SER C . 51181 3
12 . 1 . 1 44 44 SER CA C 13 64.03 0.3 . . . . . . . 44 SER CA . 51181 3
13 . 1 . 1 44 44 SER CB C 13 62.75 0.3 . . . . . . . 44 SER CB . 51181 3
14 . 1 . 1 44 44 SER N N 15 115.49 0.5 . . . . . . . 44 SER N . 51181 3
15 . 1 . 1 45 45 TYR H H 1 7.14 0.03 . . . . . . . 45 TYR H . 51181 3
16 . 1 . 1 45 45 TYR CA C 13 61.54 0.3 . . . . . . . 45 TYR CA . 51181 3
17 . 1 . 1 45 45 TYR N N 15 120.3 0.5 . . . . . . . 45 TYR N . 51181 3
18 . 1 . 1 47 47 ALA C C 13 178.44 0.3 . . . . . . . 47 ALA C . 51181 3
19 . 1 . 1 48 48 VAL H H 1 7.5 0.03 . . . . . . . 48 VAL H . 51181 3
20 . 1 . 1 48 48 VAL C C 13 178.22 0.3 . . . . . . . 48 VAL C . 51181 3
21 . 1 . 1 48 48 VAL CA C 13 65.62 0.3 . . . . . . . 48 VAL CA . 51181 3
22 . 1 . 1 48 48 VAL N N 15 116.74 0.5 . . . . . . . 48 VAL N . 51181 3
23 . 1 . 1 54 54 ALA H H 1 7.96 0.03 . . . . . . . 54 ALA H . 51181 3
24 . 1 . 1 54 54 ALA C C 13 176.26 0.3 . . . . . . . 54 ALA C . 51181 3
25 . 1 . 1 54 54 ALA CA C 13 50.0 0.3 . . . . . . . 54 ALA CA . 51181 3
26 . 1 . 1 54 54 ALA CB C 13 18.17 0.3 . . . . . . . 54 ALA CB . 51181 3
27 . 1 . 1 54 54 ALA N N 15 126.04 0.5 . . . . . . . 54 ALA N . 51181 3
28 . 1 . 1 55 55 PRO CA C 13 63.84 0.3 . . . . . . . 55 PRO CA . 51181 3
29 . 1 . 1 55 55 PRO CB C 13 31.48 0.3 . . . . . . . 55 PRO CB . 51181 3
30 . 1 . 1 57 57 ALA CA C 13 53.2 0.3 . . . . . . . 57 ALA CA . 51181 3
31 . 1 . 1 59 59 LEU C C 13 174.77 0.3 . . . . . . . 59 LEU C . 51181 3
32 . 1 . 1 59 59 LEU CA C 13 53.48 0.3 . . . . . . . 59 LEU CA . 51181 3
33 . 1 . 1 59 59 LEU CB C 13 39.57 0.3 . . . . . . . 59 LEU CB . 51181 3
34 . 1 . 1 60 60 ILE H H 1 7.11 0.03 . . . . . . . 60 ILE H . 51181 3
35 . 1 . 1 60 60 ILE C C 13 176.2 0.3 . . . . . . . 60 ILE C . 51181 3
36 . 1 . 1 60 60 ILE CA C 13 61.6 0.3 . . . . . . . 60 ILE CA . 51181 3
37 . 1 . 1 60 60 ILE N N 15 107.11 0.5 . . . . . . . 60 ILE N . 51181 3
38 . 1 . 1 61 61 THR H H 1 7.41 0.03 . . . . . . . 61 THR H . 51181 3
39 . 1 . 1 61 61 THR C C 13 173.34 0.3 . . . . . . . 61 THR C . 51181 3
40 . 1 . 1 61 61 THR CA C 13 58.84 0.3 . . . . . . . 61 THR CA . 51181 3
41 . 1 . 1 61 61 THR CB C 13 71.68 0.3 . . . . . . . 61 THR CB . 51181 3
42 . 1 . 1 61 61 THR N N 15 109.96 0.5 . . . . . . . 61 THR N . 51181 3
43 . 1 . 1 62 62 TYR H H 1 10.29 0.03 . . . . . . . 62 TYR H . 51181 3
44 . 1 . 1 62 62 TYR C C 13 174.1 0.3 . . . . . . . 62 TYR C . 51181 3
45 . 1 . 1 62 62 TYR CA C 13 63.81 0.3 . . . . . . . 62 TYR CA . 51181 3
46 . 1 . 1 62 62 TYR CB C 13 36.18 0.3 . . . . . . . 62 TYR CB . 51181 3
47 . 1 . 1 62 62 TYR N N 15 124.5 0.5 . . . . . . . 62 TYR N . 51181 3
48 . 1 . 1 64 64 ARG H H 1 7.14 0.03 . . . . . . . 64 ARG H . 51181 3
49 . 1 . 1 64 64 ARG CA C 13 60.35 0.3 . . . . . . . 64 ARG CA . 51181 3
50 . 1 . 1 64 64 ARG N N 15 113.71 0.5 . . . . . . . 64 ARG N . 51181 3
51 . 1 . 1 66 66 LEU H H 1 8.93 0.03 . . . . . . . 66 LEU H . 51181 3
52 . 1 . 1 66 66 LEU C C 13 180.03 0.3 . . . . . . . 66 LEU C . 51181 3
53 . 1 . 1 66 66 LEU CA C 13 57.82 0.3 . . . . . . . 66 LEU CA . 51181 3
54 . 1 . 1 66 66 LEU N N 15 120.96 0.5 . . . . . . . 66 LEU N . 51181 3
55 . 1 . 1 67 67 TRP H H 1 7.71 0.03 . . . . . . . 67 TRP H . 51181 3
56 . 1 . 1 67 67 TRP C C 13 175.97 0.3 . . . . . . . 67 TRP C . 51181 3
57 . 1 . 1 67 67 TRP CA C 13 59.07 0.3 . . . . . . . 67 TRP CA . 51181 3
58 . 1 . 1 67 67 TRP N N 15 119.91 0.5 . . . . . . . 67 TRP N . 51181 3
59 . 1 . 1 68 68 TRP H H 1 8.66 0.03 . . . . . . . 68 TRP H . 51181 3
60 . 1 . 1 68 68 TRP C C 13 179.43 0.3 . . . . . . . 68 TRP C . 51181 3
61 . 1 . 1 68 68 TRP CA C 13 60.64 0.3 . . . . . . . 68 TRP CA . 51181 3
62 . 1 . 1 68 68 TRP N N 15 119.15 0.5 . . . . . . . 68 TRP N . 51181 3
63 . 1 . 1 69 69 SER H H 1 9.83 0.03 . . . . . . . 69 SER H . 51181 3
64 . 1 . 1 69 69 SER C C 13 175.9 0.3 . . . . . . . 69 SER C . 51181 3
65 . 1 . 1 69 69 SER CA C 13 63.24 0.3 . . . . . . . 69 SER CA . 51181 3
66 . 1 . 1 69 69 SER N N 15 122.96 0.5 . . . . . . . 69 SER N . 51181 3
67 . 1 . 1 70 70 VAL H H 1 7.43 0.03 . . . . . . . 70 VAL H . 51181 3
68 . 1 . 1 70 70 VAL CA C 13 66.35 0.3 . . . . . . . 70 VAL CA . 51181 3
69 . 1 . 1 70 70 VAL N N 15 124.49 0.5 . . . . . . . 70 VAL N . 51181 3
70 . 1 . 1 72 72 THR C C 13 174.88 0.3 . . . . . . . 72 THR C . 51181 3
71 . 1 . 1 72 72 THR CA C 13 67.22 0.3 . . . . . . . 72 THR CA . 51181 3
72 . 1 . 1 72 72 THR CB C 13 68.55 0.3 . . . . . . . 72 THR CB . 51181 3
73 . 1 . 1 73 73 ALA H H 1 8.55 0.03 . . . . . . . 73 ALA H . 51181 3
74 . 1 . 1 73 73 ALA C C 13 176.2 0.3 . . . . . . . 73 ALA C . 51181 3
75 . 1 . 1 73 73 ALA CA C 13 55.47 0.3 . . . . . . . 73 ALA CA . 51181 3
76 . 1 . 1 73 73 ALA N N 15 124.14 0.5 . . . . . . . 73 ALA N . 51181 3
77 . 1 . 1 74 74 THR H H 1 6.83 0.03 . . . . . . . 74 THR H . 51181 3
78 . 1 . 1 74 74 THR C C 13 176.29 0.3 . . . . . . . 74 THR C . 51181 3
79 . 1 . 1 74 74 THR CA C 13 61.8 0.3 . . . . . . . 74 THR CA . 51181 3
80 . 1 . 1 74 74 THR CB C 13 70.31 0.3 . . . . . . . 74 THR CB . 51181 3
81 . 1 . 1 74 74 THR N N 15 98.52 0.5 . . . . . . . 74 THR N . 51181 3
82 . 1 . 1 75 75 THR H H 1 7.42 0.03 . . . . . . . 75 THR H . 51181 3
83 . 1 . 1 75 75 THR C C 13 171.7 0.3 . . . . . . . 75 THR C . 51181 3
84 . 1 . 1 75 75 THR CA C 13 64.1 0.3 . . . . . . . 75 THR CA . 51181 3
85 . 1 . 1 75 75 THR CB C 13 68.88 0.3 . . . . . . . 75 THR CB . 51181 3
86 . 1 . 1 75 75 THR N N 15 109.96 0.5 . . . . . . . 75 THR N . 51181 3
87 . 1 . 1 76 76 VAL H H 1 7.13 0.03 . . . . . . . 76 VAL H . 51181 3
88 . 1 . 1 76 76 VAL C C 13 179.2 0.3 . . . . . . . 76 VAL C . 51181 3
89 . 1 . 1 76 76 VAL CA C 13 67.3 0.3 . . . . . . . 76 VAL CA . 51181 3
90 . 1 . 1 76 76 VAL N N 15 123.14 0.5 . . . . . . . 76 VAL N . 51181 3
91 . 1 . 1 77 77 GLY H H 1 7.97 0.03 . . . . . . . 77 GLY H . 51181 3
92 . 1 . 1 77 77 GLY C C 13 173.23 0.3 . . . . . . . 77 GLY C . 51181 3
93 . 1 . 1 77 77 GLY CA C 13 47.7 0.3 . . . . . . . 77 GLY CA . 51181 3
94 . 1 . 1 77 77 GLY N N 15 101.69 0.5 . . . . . . . 77 GLY N . 51181 3
95 . 1 . 1 78 78 TYR H H 1 5.75 0.03 . . . . . . . 78 TYR H . 51181 3
96 . 1 . 1 78 78 TYR C C 13 177.83 0.3 . . . . . . . 78 TYR C . 51181 3
97 . 1 . 1 78 78 TYR CA C 13 60.5 0.3 . . . . . . . 78 TYR CA . 51181 3
98 . 1 . 1 78 78 TYR CB C 13 39.05 0.3 . . . . . . . 78 TYR CB . 51181 3
99 . 1 . 1 78 78 TYR N N 15 112.1 0.5 . . . . . . . 78 TYR N . 51181 3
100 . 1 . 1 79 79 GLY H H 1 9.14 0.03 . . . . . . . 79 GLY H . 51181 3
101 . 1 . 1 79 79 GLY C C 13 174.27 0.3 . . . . . . . 79 GLY C . 51181 3
102 . 1 . 1 79 79 GLY CA C 13 45.8 0.3 . . . . . . . 79 GLY CA . 51181 3
103 . 1 . 1 79 79 GLY N N 15 100.1 0.5 . . . . . . . 79 GLY N . 51181 3
104 . 1 . 1 80 80 ASP H H 1 9.89 0.03 . . . . . . . 80 ASP H . 51181 3
105 . 1 . 1 80 80 ASP C C 13 175.98 0.3 . . . . . . . 80 ASP C . 51181 3
106 . 1 . 1 80 80 ASP CA C 13 55.9 0.3 . . . . . . . 80 ASP CA . 51181 3
107 . 1 . 1 80 80 ASP CB C 13 36.79 0.3 . . . . . . . 80 ASP CB . 51181 3
108 . 1 . 1 80 80 ASP CG C 13 179.41 0.3 . . . . . . . 80 ASP CG . 51181 3
109 . 1 . 1 80 80 ASP N N 15 119.5 0.5 . . . . . . . 80 ASP N . 51181 3
110 . 1 . 1 81 81 LEU H H 1 7.04 0.03 . . . . . . . 81 LEU H . 51181 3
111 . 1 . 1 81 81 LEU C C 13 176.2 0.3 . . . . . . . 81 LEU C . 51181 3
112 . 1 . 1 81 81 LEU CA C 13 52.82 0.3 . . . . . . . 81 LEU CA . 51181 3
113 . 1 . 1 81 81 LEU CB C 13 46.86 0.3 . . . . . . . 81 LEU CB . 51181 3
114 . 1 . 1 81 81 LEU N N 15 116.5 0.5 . . . . . . . 81 LEU N . 51181 3
115 . 1 . 1 82 82 TYR H H 1 7.87 0.03 . . . . . . . 82 TYR H . 51181 3
116 . 1 . 1 82 82 TYR C C 13 171.85 0.3 . . . . . . . 82 TYR C . 51181 3
117 . 1 . 1 82 82 TYR CA C 13 55.65 0.3 . . . . . . . 82 TYR CA . 51181 3
118 . 1 . 1 82 82 TYR CB C 13 34.85 0.3 . . . . . . . 82 TYR CB . 51181 3
119 . 1 . 1 82 82 TYR N N 15 115.36 0.5 . . . . . . . 82 TYR N . 51181 3
120 . 1 . 1 83 83 PRO C C 13 176.68 0.3 . . . . . . . 83 PRO C . 51181 3
121 . 1 . 1 84 84 VAL H H 1 11.1 0.03 . . . . . . . 84 VAL H . 51181 3
122 . 1 . 1 84 84 VAL C C 13 176.32 0.3 . . . . . . . 84 VAL C . 51181 3
123 . 1 . 1 84 84 VAL CA C 13 61.1 0.3 . . . . . . . 84 VAL CA . 51181 3
124 . 1 . 1 84 84 VAL N N 15 119.63 0.5 . . . . . . . 84 VAL N . 51181 3
125 . 1 . 1 85 85 THR H H 1 9.28 0.03 . . . . . . . 85 THR H . 51181 3
126 . 1 . 1 85 85 THR C C 13 174.89 0.3 . . . . . . . 85 THR C . 51181 3
127 . 1 . 1 85 85 THR CA C 13 61.05 0.3 . . . . . . . 85 THR CA . 51181 3
128 . 1 . 1 85 85 THR CB C 13 72.43 0.3 . . . . . . . 85 THR CB . 51181 3
129 . 1 . 1 85 85 THR N N 15 116.65 0.5 . . . . . . . 85 THR N . 51181 3
130 . 1 . 1 86 86 LEU C C 13 177.96 0.3 . . . . . . . 86 LEU C . 51181 3
131 . 1 . 1 86 86 LEU CA C 13 58.68 0.3 . . . . . . . 86 LEU CA . 51181 3
132 . 1 . 1 86 86 LEU N N 15 122.75 0.5 . . . . . . . 86 LEU N . 51181 3
133 . 1 . 1 87 87 TRP CA C 13 59.45 0.3 . . . . . . . 87 TRP CA . 51181 3
stop_
save_