Content for NMR-STAR saveframe, "assigned_chemical_shifts_4"
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 51181
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'KcsA E71V pH 3, 5 mM Ba2+ assignments'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_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
13 '3D HNCO' . . . 51181 4
14 '3D HNCA' . . . 51181 4
15 '2D CC' . . . 51181 4
16 '2D NH' . . . 51181 4
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 4
2 $software_2 . . 51181 4
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 42 42 ALA H H 1 9.35 0.03 . . . . . . . 42 ALA H . 51181 4
2 . 1 . 1 42 42 ALA C C 13 180.47 0.3 . . . . . . . 42 ALA C . 51181 4
3 . 1 . 1 42 42 ALA CA C 13 55.36 0.3 . . . . . . . 42 ALA CA . 51181 4
4 . 1 . 1 42 42 ALA N N 15 121.01 0.5 . . . . . . . 42 ALA N . 51181 4
5 . 1 . 1 43 43 GLY H H 1 9.27 0.03 . . . . . . . 43 GLY H . 51181 4
6 . 1 . 1 43 43 GLY C C 13 175.58 0.3 . . . . . . . 43 GLY C . 51181 4
7 . 1 . 1 43 43 GLY CA C 13 47.09 0.3 . . . . . . . 43 GLY CA . 51181 4
8 . 1 . 1 43 43 GLY N N 15 109.46 0.5 . . . . . . . 43 GLY N . 51181 4
9 . 1 . 1 44 44 SER H H 1 7.80 0.03 . . . . . . . 44 SER H . 51181 4
10 . 1 . 1 44 44 SER C C 13 174.23 0.3 . . . . . . . 44 SER C . 51181 4
11 . 1 . 1 44 44 SER CA C 13 64.44 0.3 . . . . . . . 44 SER CA . 51181 4
12 . 1 . 1 44 44 SER N N 15 115.38 0.5 . . . . . . . 44 SER N . 51181 4
13 . 1 . 1 45 45 TYR H H 1 7.10 0.03 . . . . . . . 45 TYR H . 51181 4
14 . 1 . 1 45 45 TYR N N 15 120.30 0.5 . . . . . . . 45 TYR N . 51181 4
15 . 1 . 1 47 47 ALA C C 13 178.62 0.3 . . . . . . . 47 ALA C . 51181 4
16 . 1 . 1 47 47 ALA CA C 13 55.36 0.3 . . . . . . . 47 ALA CA . 51181 4
17 . 1 . 1 48 48 VAL H H 1 7.46 0.03 . . . . . . . 48 VAL H . 51181 4
18 . 1 . 1 48 48 VAL C C 13 178.28 0.3 . . . . . . . 48 VAL C . 51181 4
19 . 1 . 1 48 48 VAL CA C 13 65.66 0.3 . . . . . . . 48 VAL CA . 51181 4
20 . 1 . 1 48 48 VAL N N 15 116.9 0.5 . . . . . . . 48 VAL N . 51181 4
21 . 1 . 1 54 54 ALA H H 1 7.93 0.03 . . . . . . . 54 ALA H . 51181 4
22 . 1 . 1 54 54 ALA C C 13 176.26 0.3 . . . . . . . 54 ALA C . 51181 4
23 . 1 . 1 54 54 ALA CA C 13 49.67 0.3 . . . . . . . 54 ALA CA . 51181 4
24 . 1 . 1 54 54 ALA CB C 13 17.87 0.3 . . . . . . . 54 ALA CB . 51181 4
25 . 1 . 1 54 54 ALA N N 15 125.81 0.5 . . . . . . . 54 ALA N . 51181 4
26 . 1 . 1 55 55 PRO CB C 13 31.35 0.3 . . . . . . . 55 PRO CB . 51181 4
27 . 1 . 1 57 57 ALA H H 1 7.48 0.03 . . . . . . . 57 ALA H . 51181 4
28 . 1 . 1 57 57 ALA C C 13 177.94 0.3 . . . . . . . 57 ALA C . 51181 4
29 . 1 . 1 57 57 ALA CA C 13 53.06 0.3 . . . . . . . 57 ALA CA . 51181 4
30 . 1 . 1 57 57 ALA CB C 13 20.9 0.3 . . . . . . . 57 ALA CB . 51181 4
31 . 1 . 1 57 57 ALA N N 15 121.64 0.5 . . . . . . . 57 ALA N . 51181 4
32 . 1 . 1 59 59 LEU C C 13 174.74 0.3 . . . . . . . 59 LEU C . 51181 4
33 . 1 . 1 59 59 LEU CA C 13 53.33 0.3 . . . . . . . 59 LEU CA . 51181 4
34 . 1 . 1 59 59 LEU CB C 13 39.6 0.3 . . . . . . . 59 LEU CB . 51181 4
35 . 1 . 1 60 60 ILE H H 1 7.08 0.03 . . . . . . . 60 ILE H . 51181 4
36 . 1 . 1 60 60 ILE C C 13 175.75 0.3 . . . . . . . 60 ILE C . 51181 4
37 . 1 . 1 60 60 ILE CA C 13 61.6 0.3 . . . . . . . 60 ILE CA . 51181 4
38 . 1 . 1 60 60 ILE CB C 13 38.43 0.3 . . . . . . . 60 ILE CB . 51181 4
39 . 1 . 1 60 60 ILE N N 15 106.64 0.5 . . . . . . . 60 ILE N . 51181 4
40 . 1 . 1 61 61 THR H H 1 7.46 0.03 . . . . . . . 61 THR H . 51181 4
41 . 1 . 1 61 61 THR C C 13 173.39 0.3 . . . . . . . 61 THR C . 51181 4
42 . 1 . 1 61 61 THR CA C 13 58.75 0.3 . . . . . . . 61 THR CA . 51181 4
43 . 1 . 1 61 61 THR CB C 13 71.63 0.3 . . . . . . . 61 THR CB . 51181 4
44 . 1 . 1 61 61 THR N N 15 111.04 0.5 . . . . . . . 61 THR N . 51181 4
45 . 1 . 1 62 62 TYR H H 1 10.2 0.03 . . . . . . . 62 TYR H . 51181 4
46 . 1 . 1 62 62 TYR C C 13 173.9 0.3 . . . . . . . 62 TYR C . 51181 4
47 . 1 . 1 62 62 TYR CA C 13 63.77 0.3 . . . . . . . 62 TYR CA . 51181 4
48 . 1 . 1 62 62 TYR CB C 13 36.23 0.3 . . . . . . . 62 TYR CB . 51181 4
49 . 1 . 1 62 62 TYR N N 15 124.46 0.5 . . . . . . . 62 TYR N . 51181 4
50 . 1 . 1 64 64 ARG H H 1 7.08 0.03 . . . . . . . 64 ARG H . 51181 4
51 . 1 . 1 64 64 ARG N N 15 113.56 0.5 . . . . . . . 64 ARG N . 51181 4
52 . 1 . 1 66 66 LEU H H 1 8.93 0.03 . . . . . . . 66 LEU H . 51181 4
53 . 1 . 1 66 66 LEU N N 15 121.3 0.5 . . . . . . . 66 LEU N . 51181 4
54 . 1 . 1 67 67 TRP H H 1 7.64 0.03 . . . . . . . 67 TRP H . 51181 4
55 . 1 . 1 67 67 TRP C C 13 175.92 0.3 . . . . . . . 67 TRP C . 51181 4
56 . 1 . 1 67 67 TRP CA C 13 59.02 0.3 . . . . . . . 67 TRP CA . 51181 4
57 . 1 . 1 67 67 TRP N N 15 119.95 0.5 . . . . . . . 67 TRP N . 51181 4
58 . 1 . 1 68 68 TRP H H 1 9.05 0.03 . . . . . . . 68 TRP H . 51181 4
59 . 1 . 1 68 68 TRP C C 13 179.46 0.3 . . . . . . . 68 TRP C . 51181 4
60 . 1 . 1 68 68 TRP CA C 13 60.65 0.3 . . . . . . . 68 TRP CA . 51181 4
61 . 1 . 1 68 68 TRP N N 15 119.13 0.5 . . . . . . . 68 TRP N . 51181 4
62 . 1 . 1 69 69 SER H H 1 9.82 0.03 . . . . . . . 69 SER H . 51181 4
63 . 1 . 1 69 69 SER C C 13 175.75 0.3 . . . . . . . 69 SER C . 51181 4
64 . 1 . 1 69 69 SER CA C 13 63.36 0.3 . . . . . . . 69 SER CA . 51181 4
65 . 1 . 1 69 69 SER CB C 13 60.50 0.3 . . . . . . . 69 SER CB . 51181 4
66 . 1 . 1 69 69 SER N N 15 122.99 0.5 . . . . . . . 69 SER N . 51181 4
67 . 1 . 1 70 70 VAL H H 1 7.40 0.03 . . . . . . . 70 VAL H . 51181 4
68 . 1 . 1 70 70 VAL N N 15 124.46 0.5 . . . . . . . 70 VAL N . 51181 4
69 . 1 . 1 72 72 THR C C 13 174.91 0.3 . . . . . . . 72 THR C . 51181 4
70 . 1 . 1 72 72 THR CA C 13 67.15 0.3 . . . . . . . 72 THR CA . 51181 4
71 . 1 . 1 72 72 THR CB C 13 68.59 0.3 . . . . . . . 72 THR CB . 51181 4
72 . 1 . 1 73 73 ALA H H 1 8.50 0.03 . . . . . . . 73 ALA H . 51181 4
73 . 1 . 1 73 73 ALA C C 13 176.6 0.3 . . . . . . . 73 ALA C . 51181 4
74 . 1 . 1 73 73 ALA CA C 13 55.45 0.3 . . . . . . . 73 ALA CA . 51181 4
75 . 1 . 1 73 73 ALA N N 15 124.05 0.5 . . . . . . . 73 ALA N . 51181 4
76 . 1 . 1 74 74 THR H H 1 7.04 0.03 . . . . . . . 74 THR H . 51181 4
77 . 1 . 1 74 74 THR C C 13 176.6 0.3 . . . . . . . 74 THR C . 51181 4
78 . 1 . 1 74 74 THR CA C 13 61.74 0.3 . . . . . . . 74 THR CA . 51181 4
79 . 1 . 1 74 74 THR CB C 13 70.61 0.3 . . . . . . . 74 THR CB . 51181 4
80 . 1 . 1 74 74 THR N N 15 98.49 0.5 . . . . . . . 74 THR N . 51181 4
81 . 1 . 1 75 75 THR H H 1 7.35 0.03 . . . . . . . 75 THR H . 51181 4
82 . 1 . 1 75 75 THR C C 13 172.9 0.3 . . . . . . . 75 THR C . 51181 4
83 . 1 . 1 75 75 THR CA C 13 64.3 0.3 . . . . . . . 75 THR CA . 51181 4
84 . 1 . 1 75 75 THR CB C 13 69.09 0.3 . . . . . . . 75 THR CB . 51181 4
85 . 1 . 1 75 75 THR N N 15 109.63 0.5 . . . . . . . 75 THR N . 51181 4
86 . 1 . 1 76 76 VAL H H 1 7.61 0.03 . . . . . . . 76 VAL H . 51181 4
87 . 1 . 1 76 76 VAL C C 13 179.63 0.3 . . . . . . . 76 VAL C . 51181 4
88 . 1 . 1 76 76 VAL CA C 13 67.30 0.3 . . . . . . . 76 VAL CA . 51181 4
89 . 1 . 1 76 76 VAL N N 15 126.69 0.5 . . . . . . . 76 VAL N . 51181 4
90 . 1 . 1 77 77 GLY H H 1 7.94 0.03 . . . . . . . 77 GLY H . 51181 4
91 . 1 . 1 77 77 GLY C C 13 173.2 0.3 . . . . . . . 77 GLY C . 51181 4
92 . 1 . 1 77 77 GLY CA C 13 47.70 0.3 . . . . . . . 77 GLY CA . 51181 4
93 . 1 . 1 77 77 GLY N N 15 104.06 0.5 . . . . . . . 77 GLY N . 51181 4
94 . 1 . 1 78 78 TYR H H 1 5.70 0.03 . . . . . . . 78 TYR H . 51181 4
95 . 1 . 1 78 78 TYR C C 13 177.80 0.3 . . . . . . . 78 TYR C . 51181 4
96 . 1 . 1 78 78 TYR CA C 13 60.51 0.3 . . . . . . . 78 TYR CA . 51181 4
97 . 1 . 1 78 78 TYR CB C 13 37.92 0.3 . . . . . . . 78 TYR CB . 51181 4
98 . 1 . 1 78 78 TYR N N 15 111.92 0.5 . . . . . . . 78 TYR N . 51181 4
99 . 1 . 1 79 79 GLY H H 1 9.11 0.03 . . . . . . . 79 GLY H . 51181 4
100 . 1 . 1 79 79 GLY C C 13 174.23 0.3 . . . . . . . 79 GLY C . 51181 4
101 . 1 . 1 79 79 GLY CA C 13 45.53 0.3 . . . . . . . 79 GLY CA . 51181 4
102 . 1 . 1 79 79 GLY N N 15 99.84 0.5 . . . . . . . 79 GLY N . 51181 4
103 . 1 . 1 80 80 ASP H H 1 9.86 0.03 . . . . . . . 80 ASP H . 51181 4
104 . 1 . 1 80 80 ASP C C 13 175.75 0.3 . . . . . . . 80 ASP C . 51181 4
105 . 1 . 1 80 80 ASP CA C 13 55.9 0.3 . . . . . . . 80 ASP CA . 51181 4
106 . 1 . 1 80 80 ASP CB C 13 36.65 0.3 . . . . . . . 80 ASP CB . 51181 4
107 . 1 . 1 80 80 ASP N N 15 119.6 0.5 . . . . . . . 80 ASP N . 51181 4
108 . 1 . 1 81 81 LEU H H 1 7.09 0.03 . . . . . . . 81 LEU H . 51181 4
109 . 1 . 1 81 81 LEU C C 13 176.09 0.3 . . . . . . . 81 LEU C . 51181 4
110 . 1 . 1 81 81 LEU CA C 13 52.65 0.3 . . . . . . . 81 LEU CA . 51181 4
111 . 1 . 1 81 81 LEU CB C 13 46.68 0.3 . . . . . . . 81 LEU CB . 51181 4
112 . 1 . 1 81 81 LEU N N 15 116.55 0.5 . . . . . . . 81 LEU N . 51181 4
113 . 1 . 1 82 82 TYR C C 13 171.88 0.3 . . . . . . . 82 TYR C . 51181 4
114 . 1 . 1 82 82 TYR CA C 13 55.63 0.3 . . . . . . . 82 TYR CA . 51181 4
115 . 1 . 1 82 82 TYR CB C 13 34.72 0.3 . . . . . . . 82 TYR CB . 51181 4
116 . 1 . 1 84 84 VAL H H 1 11.1 0.03 . . . . . . . 84 VAL H . 51181 4
117 . 1 . 1 84 84 VAL N N 15 119.36 0.5 . . . . . . . 84 VAL N . 51181 4
118 . 1 . 1 85 85 THR H H 1 9.21 0.03 . . . . . . . 85 THR H . 51181 4
119 . 1 . 1 85 85 THR C C 13 174.91 0.3 . . . . . . . 85 THR C . 51181 4
120 . 1 . 1 85 85 THR CA C 13 60.78 0.3 . . . . . . . 85 THR CA . 51181 4
121 . 1 . 1 85 85 THR CB C 13 72.46 0.3 . . . . . . . 85 THR CB . 51181 4
122 . 1 . 1 85 85 THR N N 15 116.49 0.5 . . . . . . . 85 THR N . 51181 4
123 . 1 . 1 86 86 LEU H H 1 8.69 0.03 . . . . . . . 86 LEU H . 51181 4
124 . 1 . 1 86 86 LEU C C 13 179.29 0.3 . . . . . . . 86 LEU C . 51181 4
125 . 1 . 1 86 86 LEU CA C 13 59.02 0.3 . . . . . . . 86 LEU CA . 51181 4
126 . 1 . 1 86 86 LEU N N 15 122.65 0.5 . . . . . . . 86 LEU N . 51181 4
127 . 1 . 1 87 87 TRP H H 1 7.53 0.03 . . . . . . . 87 TRP H . 51181 4
128 . 1 . 1 87 87 TRP N N 15 115.79 0.5 . . . . . . . 87 TRP N . 51181 4
stop_
save_