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 51180
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'KcsA WT pH 4, 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
8 '3D HNCO' . . . 51180 3
9 '3D HNCA' . . . 51180 3
10 '2D CC' . . . 51180 3
11 '2D NH' . . . 51180 3
14 '3D HN(CO)CA' . . . 51180 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 . . 51180 3
2 $software_2 . . 51180 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 13 180.58 0.3 . . . . . . . 41 LEU C . 51180 3
2 . 1 . 1 41 41 LEU CA C 13 58.46 0.3 . . . . . . . 41 LEU CA . 51180 3
3 . 1 . 1 42 42 ALA H H 1 9.31 0.03 . . . . . . . 42 ALA H . 51180 3
4 . 1 . 1 42 42 ALA C C 13 180.88 0.3 . . . . . . . 42 ALA C . 51180 3
5 . 1 . 1 42 42 ALA CA C 13 55.25 0.3 . . . . . . . 42 ALA CA . 51180 3
6 . 1 . 1 42 42 ALA N N 15 120.40 0.5 . . . . . . . 42 ALA N . 51180 3
7 . 1 . 1 43 43 GLY H H 1 9.33 0.03 . . . . . . . 43 GLY H . 51180 3
8 . 1 . 1 43 43 GLY N N 15 109.58 0.5 . . . . . . . 43 GLY N . 51180 3
9 . 1 . 1 44 44 SER C C 13 175.34 0.3 . . . . . . . 44 SER C . 51180 3
10 . 1 . 1 44 44 SER CA C 13 63.90 0.3 . . . . . . . 44 SER CA . 51180 3
11 . 1 . 1 45 45 TYR H H 1 7.40 0.03 . . . . . . . 45 TYR H . 51180 3
12 . 1 . 1 45 45 TYR CA C 13 62.01 0.3 . . . . . . . 45 TYR CA . 51180 3
13 . 1 . 1 45 45 TYR N N 15 121.10 0.5 . . . . . . . 45 TYR N . 51180 3
14 . 1 . 1 47 47 ALA C C 13 178.74 0.3 . . . . . . . 47 ALA C . 51180 3
15 . 1 . 1 47 47 ALA CA C 13 56.14 0.3 . . . . . . . 47 ALA CA . 51180 3
16 . 1 . 1 48 48 VAL H H 1 7.50 0.03 . . . . . . . 48 VAL H . 51180 3
17 . 1 . 1 48 48 VAL C C 13 178.3 0.3 . . . . . . . 48 VAL C . 51180 3
18 . 1 . 1 48 48 VAL CA C 13 65.92 0.3 . . . . . . . 48 VAL CA . 51180 3
19 . 1 . 1 48 48 VAL N N 15 116.45 0.5 . . . . . . . 48 VAL N . 51180 3
20 . 1 . 1 53 53 GLY C C 13 174.51 0.3 . . . . . . . 53 GLY C . 51180 3
21 . 1 . 1 54 54 ALA H H 1 7.91 0.03 . . . . . . . 54 ALA H . 51180 3
22 . 1 . 1 54 54 ALA C C 13 176.48 0.3 . . . . . . . 54 ALA C . 51180 3
23 . 1 . 1 54 54 ALA CA C 13 50.04 0.3 . . . . . . . 54 ALA CA . 51180 3
24 . 1 . 1 54 54 ALA CB C 13 18.36 0.3 . . . . . . . 54 ALA CB . 51180 3
25 . 1 . 1 54 54 ALA N N 15 125.70 0.5 . . . . . . . 54 ALA N . 51180 3
26 . 1 . 1 55 55 PRO C C 13 178.6 0.3 . . . . . . . 55 PRO C . 51180 3
27 . 1 . 1 55 55 PRO CA C 13 63.89 0.3 . . . . . . . 55 PRO CA . 51180 3
28 . 1 . 1 55 55 PRO CB C 13 31.43 0.3 . . . . . . . 55 PRO CB . 51180 3
29 . 1 . 1 56 56 GLY CA C 13 45.60 0.3 . . . . . . . 56 GLY CA . 51180 3
30 . 1 . 1 57 57 ALA H H 1 7.31 0.03 . . . . . . . 57 ALA H . 51180 3
31 . 1 . 1 57 57 ALA C C 13 178.01 0.3 . . . . . . . 57 ALA C . 51180 3
32 . 1 . 1 57 57 ALA CA C 13 53.43 0.3 . . . . . . . 57 ALA CA . 51180 3
33 . 1 . 1 57 57 ALA CB C 13 21.4 0.3 . . . . . . . 57 ALA CB . 51180 3
34 . 1 . 1 57 57 ALA N N 15 121.10 0.5 . . . . . . . 57 ALA N . 51180 3
35 . 1 . 1 59 59 LEU C C 13 174.77 0.3 . . . . . . . 59 LEU C . 51180 3
36 . 1 . 1 59 59 LEU CA C 13 53.66 0.3 . . . . . . . 59 LEU CA . 51180 3
37 . 1 . 1 59 59 LEU CB C 13 39.59 0.3 . . . . . . . 59 LEU CB . 51180 3
38 . 1 . 1 60 60 ILE H H 1 7.19 0.03 . . . . . . . 60 ILE H . 51180 3
39 . 1 . 1 60 60 ILE C C 13 175.88 0.3 . . . . . . . 60 ILE C . 51180 3
40 . 1 . 1 60 60 ILE CA C 13 61.91 0.3 . . . . . . . 60 ILE CA . 51180 3
41 . 1 . 1 60 60 ILE N N 15 106.66 0.5 . . . . . . . 60 ILE N . 51180 3
42 . 1 . 1 61 61 THR H H 1 7.41 0.03 . . . . . . . 61 THR H . 51180 3
43 . 1 . 1 61 61 THR C C 13 173.59 0.3 . . . . . . . 61 THR C . 51180 3
44 . 1 . 1 61 61 THR CA C 13 58.98 0.3 . . . . . . . 61 THR CA . 51180 3
45 . 1 . 1 61 61 THR N N 15 110.05 0.5 . . . . . . . 61 THR N . 51180 3
46 . 1 . 1 62 62 TYR H H 1 10.26 0.03 . . . . . . . 62 TYR H . 51180 3
47 . 1 . 1 62 62 TYR C C 13 174.2 0.3 . . . . . . . 62 TYR C . 51180 3
48 . 1 . 1 62 62 TYR CA C 13 64.21 0.3 . . . . . . . 62 TYR CA . 51180 3
49 . 1 . 1 62 62 TYR CB C 13 36.5 0.3 . . . . . . . 62 TYR CB . 51180 3
50 . 1 . 1 62 62 TYR N N 15 124.10 0.5 . . . . . . . 62 TYR N . 51180 3
51 . 1 . 1 63 63 PRO C C 13 179.04 0.3 . . . . . . . 63 PRO C . 51180 3
52 . 1 . 1 63 63 PRO CA C 13 66.95 0.3 . . . . . . . 63 PRO CA . 51180 3
53 . 1 . 1 64 64 ARG H H 1 7.16 0.03 . . . . . . . 64 ARG H . 51180 3
54 . 1 . 1 64 64 ARG CA C 13 60.68 0.3 . . . . . . . 64 ARG CA . 51180 3
55 . 1 . 1 64 64 ARG N N 15 113.69 0.5 . . . . . . . 64 ARG N . 51180 3
56 . 1 . 1 67 67 TRP HE1 H 1 10.91 0.03 . . . . . . . 67 TRP HE1 . 51180 3
57 . 1 . 1 67 67 TRP C C 13 176.7 0.3 . . . . . . . 67 TRP C . 51180 3
58 . 1 . 1 67 67 TRP NE1 N 15 134.02 0.5 . . . . . . . 67 TRP NE1 . 51180 3
59 . 1 . 1 68 68 TRP H H 1 8.66 0.03 . . . . . . . 68 TRP H . 51180 3
60 . 1 . 1 68 68 TRP C C 13 180.56 0.3 . . . . . . . 68 TRP C . 51180 3
61 . 1 . 1 68 68 TRP CA C 13 60.01 0.3 . . . . . . . 68 TRP CA . 51180 3
62 . 1 . 1 68 68 TRP N N 15 120.00 0.5 . . . . . . . 68 TRP N . 51180 3
63 . 1 . 1 69 69 SER H H 1 9.57 0.03 . . . . . . . 69 SER H . 51180 3
64 . 1 . 1 69 69 SER C C 13 175.93 0.3 . . . . . . . 69 SER C . 51180 3
65 . 1 . 1 69 69 SER CA C 13 63.79 0.3 . . . . . . . 69 SER CA . 51180 3
66 . 1 . 1 69 69 SER CB C 13 61.05 0.3 . . . . . . . 69 SER CB . 51180 3
67 . 1 . 1 69 69 SER N N 15 123.87 0.5 . . . . . . . 69 SER N . 51180 3
68 . 1 . 1 70 70 VAL H H 1 7.38 0.03 . . . . . . . 70 VAL H . 51180 3
69 . 1 . 1 70 70 VAL CA C 13 66.85 0.3 . . . . . . . 70 VAL CA . 51180 3
70 . 1 . 1 70 70 VAL N N 15 125.13 0.5 . . . . . . . 70 VAL N . 51180 3
71 . 1 . 1 72 72 THR C C 13 173.77 0.3 . . . . . . . 72 THR C . 51180 3
72 . 1 . 1 72 72 THR CA C 13 67.98 0.3 . . . . . . . 72 THR CA . 51180 3
73 . 1 . 1 73 73 ALA CA C 13 55.10 0.3 . . . . . . . 73 ALA CA . 51180 3
74 . 1 . 1 74 74 THR H H 1 6.92 0.03 . . . . . . . 74 THR H . 51180 3
75 . 1 . 1 74 74 THR C C 13 177.5 0.3 . . . . . . . 74 THR C . 51180 3
76 . 1 . 1 74 74 THR CA C 13 62.03 0.3 . . . . . . . 74 THR CA . 51180 3
77 . 1 . 1 74 74 THR CB C 13 70.71 0.3 . . . . . . . 74 THR CB . 51180 3
78 . 1 . 1 74 74 THR N N 15 98.0 0.5 . . . . . . . 74 THR N . 51180 3
79 . 1 . 1 75 75 THR H H 1 7.52 0.03 . . . . . . . 75 THR H . 51180 3
80 . 1 . 1 75 75 THR C C 13 173.22 0.3 . . . . . . . 75 THR C . 51180 3
81 . 1 . 1 75 75 THR CA C 13 62.82 0.3 . . . . . . . 75 THR CA . 51180 3
82 . 1 . 1 75 75 THR CB C 13 69.49 0.3 . . . . . . . 75 THR CB . 51180 3
83 . 1 . 1 75 75 THR N N 15 115.3 0.5 . . . . . . . 75 THR N . 51180 3
84 . 1 . 1 76 76 VAL H H 1 7.3 0.03 . . . . . . . 76 VAL H . 51180 3
85 . 1 . 1 76 76 VAL C C 13 176.10 0.3 . . . . . . . 76 VAL C . 51180 3
86 . 1 . 1 76 76 VAL CA C 13 65.80 0.3 . . . . . . . 76 VAL CA . 51180 3
87 . 1 . 1 76 76 VAL CB C 13 30.4 0.3 . . . . . . . 76 VAL CB . 51180 3
88 . 1 . 1 76 76 VAL N N 15 119.6 0.5 . . . . . . . 76 VAL N . 51180 3
89 . 1 . 1 77 77 GLY H H 1 8.18 0.03 . . . . . . . 77 GLY H . 51180 3
90 . 1 . 1 77 77 GLY C C 13 175.81 0.3 . . . . . . . 77 GLY C . 51180 3
91 . 1 . 1 77 77 GLY CA C 13 48.48 0.3 . . . . . . . 77 GLY CA . 51180 3
92 . 1 . 1 77 77 GLY N N 15 107.0 0.5 . . . . . . . 77 GLY N . 51180 3
93 . 1 . 1 78 78 TYR H H 1 6.29 0.03 . . . . . . . 78 TYR H . 51180 3
94 . 1 . 1 78 78 TYR C C 13 178.01 0.3 . . . . . . . 78 TYR C . 51180 3
95 . 1 . 1 78 78 TYR CA C 13 57.52 0.3 . . . . . . . 78 TYR CA . 51180 3
96 . 1 . 1 78 78 TYR N N 15 117.7 0.5 . . . . . . . 78 TYR N . 51180 3
97 . 1 . 1 79 79 GLY H H 1 9.11 0.03 . . . . . . . 79 GLY H . 51180 3
98 . 1 . 1 79 79 GLY C C 13 174.14 0.3 . . . . . . . 79 GLY C . 51180 3
99 . 1 . 1 79 79 GLY CA C 13 47.7 0.3 . . . . . . . 79 GLY CA . 51180 3
100 . 1 . 1 79 79 GLY N N 15 102.22 0.5 . . . . . . . 79 GLY N . 51180 3
101 . 1 . 1 80 80 ASP H H 1 9.86 0.03 . . . . . . . 80 ASP H . 51180 3
102 . 1 . 1 80 80 ASP C C 13 176.4 0.3 . . . . . . . 80 ASP C . 51180 3
103 . 1 . 1 80 80 ASP CA C 13 54.89 0.3 . . . . . . . 80 ASP CA . 51180 3
104 . 1 . 1 80 80 ASP CB C 13 37.41 0.3 . . . . . . . 80 ASP CB . 51180 3
105 . 1 . 1 80 80 ASP CG C 13 179.41 0.3 . . . . . . . 80 ASP CG . 51180 3
106 . 1 . 1 80 80 ASP N N 15 115.46 0.5 . . . . . . . 80 ASP N . 51180 3
107 . 1 . 1 81 81 LEU H H 1 7.95 0.03 . . . . . . . 81 LEU H . 51180 3
108 . 1 . 1 81 81 LEU C C 13 176.15 0.3 . . . . . . . 81 LEU C . 51180 3
109 . 1 . 1 81 81 LEU CA C 13 53.64 0.3 . . . . . . . 81 LEU CA . 51180 3
110 . 1 . 1 81 81 LEU CB C 13 48.7 0.3 . . . . . . . 81 LEU CB . 51180 3
111 . 1 . 1 81 81 LEU N N 15 119.1 0.5 . . . . . . . 81 LEU N . 51180 3
112 . 1 . 1 82 82 TYR H H 1 7.83 0.03 . . . . . . . 82 TYR H . 51180 3
113 . 1 . 1 82 82 TYR C C 13 172.50 0.3 . . . . . . . 82 TYR C . 51180 3
114 . 1 . 1 82 82 TYR CA C 13 53.44 0.3 . . . . . . . 82 TYR CA . 51180 3
115 . 1 . 1 82 82 TYR CB C 13 36.33 0.3 . . . . . . . 82 TYR CB . 51180 3
116 . 1 . 1 82 82 TYR N N 15 115.06 0.5 . . . . . . . 82 TYR N . 51180 3
117 . 1 . 1 83 83 PRO C C 13 177.05 0.3 . . . . . . . 83 PRO C . 51180 3
118 . 1 . 1 83 83 PRO CA C 13 61.48 0.3 . . . . . . . 83 PRO CA . 51180 3
119 . 1 . 1 84 84 VAL H H 1 10.78 0.03 . . . . . . . 84 VAL H . 51180 3
120 . 1 . 1 84 84 VAL C C 13 176.14 0.3 . . . . . . . 84 VAL C . 51180 3
121 . 1 . 1 84 84 VAL CA C 13 61.46 0.3 . . . . . . . 84 VAL CA . 51180 3
122 . 1 . 1 84 84 VAL N N 15 117.25 0.5 . . . . . . . 84 VAL N . 51180 3
123 . 1 . 1 85 85 THR H H 1 9.46 0.03 . . . . . . . 85 THR H . 51180 3
124 . 1 . 1 85 85 THR C C 13 174.80 0.3 . . . . . . . 85 THR C . 51180 3
125 . 1 . 1 85 85 THR CA C 13 61.56 0.3 . . . . . . . 85 THR CA . 51180 3
126 . 1 . 1 85 85 THR N N 15 116.09 0.5 . . . . . . . 85 THR N . 51180 3
127 . 1 . 1 86 86 LEU H H 1 8.81 0.03 . . . . . . . 86 LEU H . 51180 3
128 . 1 . 1 86 86 LEU CA C 13 59.18 0.3 . . . . . . . 86 LEU CA . 51180 3
129 . 1 . 1 86 86 LEU N N 15 122.7 0.5 . . . . . . . 86 LEU N . 51180 3
stop_
save_