Content for NMR-STAR saveframe, "shift_set_1"
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5910
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $pH5_0salt
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
1 '1H,15N HSQC' 1 $I30V_sample_1 . 5910 1
2 '3D HSQC-TOCSY' 1 $I30V_sample_1 . 5910 1
3 '3D HSQC-NOESY' 1 $I30V_sample_1 . 5910 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 3 3 THR H H 1 8.552 0.01 . 1 . . . . . . . . 5910 1
2 . 1 1 3 3 THR N N 15 113.473 0.05 . 1 . . . . . . . . 5910 1
3 . 1 1 4 4 VAL H H 1 8.877 0.01 . 1 . . . . . . . . 5910 1
4 . 1 1 4 4 VAL N N 15 120.826 0.05 . 1 . . . . . . . . 5910 1
5 . 1 1 5 5 LYS H H 1 8.493 0.01 . 1 . . . . . . . . 5910 1
6 . 1 1 5 5 LYS N N 15 127.728 0.05 . 1 . . . . . . . . 5910 1
7 . 1 1 6 6 PHE H H 1 8.599 0.01 . 1 . . . . . . . . 5910 1
8 . 1 1 6 6 PHE N N 15 119.763 0.05 . 1 . . . . . . . . 5910 1
9 . 1 1 7 7 LYS H H 1 8.768 0.01 . 1 . . . . . . . . 5910 1
10 . 1 1 7 7 LYS N N 15 119.186 0.05 . 1 . . . . . . . . 5910 1
11 . 1 1 8 8 TYR H H 1 9.020 0.01 . 1 . . . . . . . . 5910 1
12 . 1 1 8 8 TYR N N 15 124.902 0.05 . 1 . . . . . . . . 5910 1
13 . 1 1 9 9 LYS H H 1 9.143 0.01 . 1 . . . . . . . . 5910 1
14 . 1 1 9 9 LYS N N 15 127.732 0.05 . 1 . . . . . . . . 5910 1
15 . 1 1 10 10 GLY H H 1 8.453 0.01 . 1 . . . . . . . . 5910 1
16 . 1 1 10 10 GLY N N 15 103.618 0.05 . 1 . . . . . . . . 5910 1
17 . 1 1 11 11 GLU H H 1 7.866 0.01 . 1 . . . . . . . . 5910 1
18 . 1 1 11 11 GLU N N 15 120.461 0.05 . 1 . . . . . . . . 5910 1
19 . 1 1 12 12 GLU H H 1 8.736 0.01 . 1 . . . . . . . . 5910 1
20 . 1 1 12 12 GLU N N 15 123.661 0.05 . 1 . . . . . . . . 5910 1
21 . 1 1 13 13 LYS H H 1 8.816 0.01 . 1 . . . . . . . . 5910 1
22 . 1 1 13 13 LYS N N 15 126.261 0.05 . 1 . . . . . . . . 5910 1
23 . 1 1 14 14 GLN H H 1 8.035 0.01 . 1 . . . . . . . . 5910 1
24 . 1 1 14 14 GLN N N 15 117.608 0.05 . 1 . . . . . . . . 5910 1
25 . 1 1 15 15 VAL H H 1 8.622 0.01 . 1 . . . . . . . . 5910 1
26 . 1 1 15 15 VAL N N 15 121.683 0.05 . 1 . . . . . . . . 5910 1
27 . 1 1 16 16 ASP H H 1 8.658 0.01 . 1 . . . . . . . . 5910 1
28 . 1 1 16 16 ASP N N 15 127.357 0.05 . 1 . . . . . . . . 5910 1
29 . 1 1 17 17 ILE H H 1 8.357 0.01 . 1 . . . . . . . . 5910 1
30 . 1 1 17 17 ILE N N 15 125.757 0.05 . 1 . . . . . . . . 5910 1
31 . 1 1 18 18 SER H H 1 8.905 0.01 . 1 . . . . . . . . 5910 1
32 . 1 1 18 18 SER N N 15 116.137 0.05 . 1 . . . . . . . . 5910 1
33 . 1 1 19 19 LYS H H 1 8.041 0.01 . 1 . . . . . . . . 5910 1
34 . 1 1 19 19 LYS N N 15 119.350 0.05 . 1 . . . . . . . . 5910 1
35 . 1 1 20 20 ILE H H 1 7.496 0.01 . 1 . . . . . . . . 5910 1
36 . 1 1 20 20 ILE N N 15 121.081 0.05 . 1 . . . . . . . . 5910 1
37 . 1 1 21 21 LYS H H 1 8.827 0.01 . 1 . . . . . . . . 5910 1
38 . 1 1 21 21 LYS N N 15 127.280 0.05 . 1 . . . . . . . . 5910 1
39 . 1 1 22 22 LYS H H 1 7.502 0.01 . 1 . . . . . . . . 5910 1
40 . 1 1 22 22 LYS N N 15 120.099 0.05 . 1 . . . . . . . . 5910 1
41 . 1 1 23 23 VAL H H 1 8.375 0.01 . 1 . . . . . . . . 5910 1
42 . 1 1 23 23 VAL N N 15 119.827 0.05 . 1 . . . . . . . . 5910 1
43 . 1 1 24 24 TRP H H 1 9.325 0.01 . 1 . . . . . . . . 5910 1
44 . 1 1 24 24 TRP N N 15 126.012 0.05 . 1 . . . . . . . . 5910 1
45 . 1 1 24 24 TRP NE1 N 15 129.091 0.05 . 1 . . . . . . . . 5910 1
46 . 1 1 24 24 TRP HE1 H 1 10.057 0.01 . 2 . . . . . . . . 5910 1
47 . 1 1 25 25 ARG H H 1 8.796 0.01 . 1 . . . . . . . . 5910 1
48 . 1 1 25 25 ARG N N 15 120.393 0.05 . 1 . . . . . . . . 5910 1
49 . 1 1 26 26 VAL H H 1 8.523 0.01 . 1 . . . . . . . . 5910 1
50 . 1 1 26 26 VAL N N 15 125.016 0.05 . 1 . . . . . . . . 5910 1
51 . 1 1 27 27 GLY H H 1 9.145 0.01 . 1 . . . . . . . . 5910 1
52 . 1 1 27 27 GLY N N 15 118.443 0.05 . 1 . . . . . . . . 5910 1
53 . 1 1 28 28 LYS H H 1 8.880 0.01 . 1 . . . . . . . . 5910 1
54 . 1 1 28 28 LYS N N 15 126.137 0.05 . 1 . . . . . . . . 5910 1
55 . 1 1 29 29 MET H H 1 8.185 0.01 . 1 . . . . . . . . 5910 1
56 . 1 1 29 29 MET N N 15 118.109 0.05 . 1 . . . . . . . . 5910 1
57 . 1 1 30 30 VAL H H 1 9.316 0.01 . 1 . . . . . . . . 5910 1
58 . 1 1 30 30 VAL N N 15 124.296 0.05 . 1 . . . . . . . . 5910 1
59 . 1 1 31 31 SER H H 1 8.780 0.01 . 1 . . . . . . . . 5910 1
60 . 1 1 31 31 SER N N 15 122.737 0.05 . 1 . . . . . . . . 5910 1
61 . 1 1 32 32 PHE H H 1 7.557 0.01 . 1 . . . . . . . . 5910 1
62 . 1 1 32 32 PHE N N 15 114.872 0.05 . 1 . . . . . . . . 5910 1
63 . 1 1 33 33 THR H H 1 9.003 0.01 . 1 . . . . . . . . 5910 1
64 . 1 1 33 33 THR N N 15 109.228 0.05 . 1 . . . . . . . . 5910 1
65 . 1 1 34 34 TYR H H 1 8.551 0.01 . 1 . . . . . . . . 5910 1
66 . 1 1 34 34 TYR N N 15 115.868 0.05 . 1 . . . . . . . . 5910 1
67 . 1 1 35 35 ASP H H 1 8.798 0.01 . 1 . . . . . . . . 5910 1
68 . 1 1 35 35 ASP N N 15 119.843 0.05 . 1 . . . . . . . . 5910 1
69 . 1 1 36 36 GLU H H 1 8.463 0.01 . 1 . . . . . . . . 5910 1
70 . 1 1 36 36 GLU N N 15 126.498 0.05 . 1 . . . . . . . . 5910 1
71 . 1 1 37 37 GLY H H 1 8.514 0.01 . 1 . . . . . . . . 5910 1
72 . 1 1 37 37 GLY N N 15 109.719 0.05 . 1 . . . . . . . . 5910 1
73 . 1 1 38 38 GLY H H 1 8.839 0.01 . 1 . . . . . . . . 5910 1
74 . 1 1 38 38 GLY N N 15 110.086 0.05 . 1 . . . . . . . . 5910 1
75 . 1 1 39 39 GLY H H 1 8.999 0.01 . 1 . . . . . . . . 5910 1
76 . 1 1 39 39 GLY N N 15 107.377 0.05 . 1 . . . . . . . . 5910 1
77 . 1 1 40 40 LYS H H 1 7.514 0.01 . 1 . . . . . . . . 5910 1
78 . 1 1 40 40 LYS N N 15 121.313 0.05 . 1 . . . . . . . . 5910 1
79 . 1 1 41 41 THR H H 1 8.569 0.01 . 1 . . . . . . . . 5910 1
80 . 1 1 41 41 THR N N 15 119.356 0.05 . 1 . . . . . . . . 5910 1
81 . 1 1 42 42 GLY H H 1 8.567 0.01 . 1 . . . . . . . . 5910 1
82 . 1 1 42 42 GLY N N 15 114.376 0.05 . 1 . . . . . . . . 5910 1
83 . 1 1 43 43 ARG H H 1 7.766 0.01 . 1 . . . . . . . . 5910 1
84 . 1 1 43 43 ARG N N 15 117.217 0.05 . 1 . . . . . . . . 5910 1
85 . 1 1 44 44 GLY H H 1 7.744 0.01 . 1 . . . . . . . . 5910 1
86 . 1 1 44 44 GLY N N 15 107.450 0.05 . 1 . . . . . . . . 5910 1
87 . 1 1 45 45 ALA H H 1 6.755 0.01 . 1 . . . . . . . . 5910 1
88 . 1 1 45 45 ALA N N 15 117.263 0.05 . 1 . . . . . . . . 5910 1
89 . 1 1 46 46 VAL H H 1 9.026 0.01 . 1 . . . . . . . . 5910 1
90 . 1 1 46 46 VAL N N 15 115.685 0.05 . 1 . . . . . . . . 5910 1
91 . 1 1 47 47 SER H H 1 9.100 0.01 . 1 . . . . . . . . 5910 1
92 . 1 1 47 47 SER N N 15 120.925 0.05 . 1 . . . . . . . . 5910 1
93 . 1 1 48 48 GLU H H 1 8.791 0.01 . 1 . . . . . . . . 5910 1
94 . 1 1 48 48 GLU N N 15 124.363 0.05 . 1 . . . . . . . . 5910 1
95 . 1 1 49 49 LYS H H 1 8.040 0.01 . 1 . . . . . . . . 5910 1
96 . 1 1 49 49 LYS N N 15 116.126 0.05 . 1 . . . . . . . . 5910 1
97 . 1 1 50 50 ASP H H 1 7.555 0.01 . 1 . . . . . . . . 5910 1
98 . 1 1 50 50 ASP N N 15 116.765 0.05 . 1 . . . . . . . . 5910 1
99 . 1 1 51 51 ALA H H 1 7.469 0.01 . 1 . . . . . . . . 5910 1
100 . 1 1 51 51 ALA N N 15 124.526 0.05 . 1 . . . . . . . . 5910 1
101 . 1 1 53 53 LYS H H 1 9.107 0.01 . 1 . . . . . . . . 5910 1
102 . 1 1 53 53 LYS N N 15 124.892 0.05 . 1 . . . . . . . . 5910 1
103 . 1 1 54 54 GLU H H 1 9.891 0.01 . 1 . . . . . . . . 5910 1
104 . 1 1 54 54 GLU N N 15 117.027 0.05 . 1 . . . . . . . . 5910 1
105 . 1 1 55 55 LEU H H 1 7.334 0.01 . 1 . . . . . . . . 5910 1
106 . 1 1 55 55 LEU N N 15 117.417 0.05 . 1 . . . . . . . . 5910 1
107 . 1 1 56 56 LEU H H 1 7.334 0.01 . 1 . . . . . . . . 5910 1
108 . 1 1 56 56 LEU N N 15 117.417 0.05 . 1 . . . . . . . . 5910 1
109 . 1 1 57 57 GLN H H 1 8.298 0.01 . 1 . . . . . . . . 5910 1
110 . 1 1 57 57 GLN N N 15 117.983 0.05 . 1 . . . . . . . . 5910 1
111 . 1 1 58 58 MET H H 1 7.334 0.01 . 1 . . . . . . . . 5910 1
112 . 1 1 58 58 MET N N 15 117.417 0.05 . 1 . . . . . . . . 5910 1
113 . 1 1 59 59 LEU H H 1 7.475 0.01 . 1 . . . . . . . . 5910 1
114 . 1 1 59 59 LEU N N 15 118.616 0.05 . 1 . . . . . . . . 5910 1
115 . 1 1 60 60 GLU H H 1 7.796 0.01 . 1 . . . . . . . . 5910 1
116 . 1 1 60 60 GLU N N 15 118.322 0.05 . 1 . . . . . . . . 5910 1
117 . 1 1 61 61 LYS H H 1 7.931 0.01 . 1 . . . . . . . . 5910 1
118 . 1 1 61 61 LYS N N 15 119.376 0.05 . 1 . . . . . . . . 5910 1
119 . 1 1 62 62 GLN H H 1 8.010 0.01 . 1 . . . . . . . . 5910 1
120 . 1 1 62 62 GLN N N 15 119.372 0.05 . 1 . . . . . . . . 5910 1
121 . 1 1 63 63 LYS H H 1 8.112 0.01 . 1 . . . . . . . . 5910 1
122 . 1 1 63 63 LYS N N 15 122.676 0.05 . 1 . . . . . . . . 5910 1
123 . 1 1 64 64 LYS H H 1 7.965 0.01 . 1 . . . . . . . . 5910 1
124 . 1 1 64 64 LYS N N 15 127.977 0.05 . 1 . . . . . . . . 5910 1
stop_
save_