Content for NMR-STAR saveframe, Chemical_shifts_at_pH*_7.0
save_Chemical_shifts_at_pH*_7.0
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Chemical_shifts_at_pH*_7.0
_Assigned_chem_shift_list.Entry_ID 17062
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $Titrations
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '2D 1H-15N HSQC' . . . 17062 2
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 GLN HE21 H 1 7.326 0.000 . 1 . . . . -1 GLN HE21 . 17062 2
2 . 1 1 3 3 GLN HE22 H 1 6.653 0.000 . 1 . . . . -1 GLN HE22 . 17062 2
3 . 1 1 3 3 GLN NE2 N 15 112.047 0.000 . 1 . . . . -1 GLN NE2 . 17062 2
4 . 1 1 4 4 CYS H H 1 7.932 0.000 . 1 . . . . 1 CYS H . 17062 2
5 . 1 1 4 4 CYS N N 15 115.850 0.000 . 1 . . . . 1 CYS N . 17062 2
6 . 1 1 5 5 LEU H H 1 9.318 0.000 . 1 . . . . 2 LEU H . 17062 2
7 . 1 1 5 5 LEU N N 15 121.534 0.000 . 1 . . . . 2 LEU N . 17062 2
8 . 1 1 6 6 LYS H H 1 9.085 0.000 . 1 . . . . 3 LYS H . 17062 2
9 . 1 1 6 6 LYS N N 15 130.948 0.000 . 1 . . . . 3 LYS N . 17062 2
10 . 1 1 8 8 THR H H 1 8.760 0.000 . 1 . . . . 5 THR H . 17062 2
11 . 1 1 8 8 THR N N 15 115.801 0.000 . 1 . . . . 5 THR N . 17062 2
12 . 1 1 9 9 GLY H H 1 8.704 0.000 . 1 . . . . 6 GLY H . 17062 2
13 . 1 1 9 9 GLY N N 15 107.609 0.000 . 1 . . . . 6 GLY N . 17062 2
14 . 1 1 10 10 GLU H H 1 8.759 0.000 . 1 . . . . 7 GLU H . 17062 2
15 . 1 1 10 10 GLU N N 15 122.721 0.000 . 1 . . . . 7 GLU N . 17062 2
16 . 1 1 11 11 ASN HD21 H 1 7.634 0.000 . 1 . . . . 8 ASN HD21 . 17062 2
17 . 1 1 11 11 ASN HD22 H 1 6.493 0.000 . 1 . . . . 8 ASN HD22 . 17062 2
18 . 1 1 11 11 ASN ND2 N 15 111.777 0.000 . 1 . . . . 8 ASN ND2 . 17062 2
19 . 1 1 12 12 TYR H H 1 7.492 0.000 . 1 . . . . 9 TYR H . 17062 2
20 . 1 1 12 12 TYR N N 15 119.908 0.000 . 1 . . . . 9 TYR N . 17062 2
21 . 1 1 13 13 ARG H H 1 8.639 0.000 . 1 . . . . 10 ARG H . 17062 2
22 . 1 1 13 13 ARG N N 15 128.689 0.000 . 1 . . . . 10 ARG N . 17062 2
23 . 1 1 15 15 ASN H H 1 7.983 0.000 . 1 . . . . 12 ASN H . 17062 2
24 . 1 1 15 15 ASN HD21 H 1 7.832 0.000 . 1 . . . . 12 ASN HD21 . 17062 2
25 . 1 1 15 15 ASN HD22 H 1 7.081 0.000 . 1 . . . . 12 ASN HD22 . 17062 2
26 . 1 1 15 15 ASN N N 15 114.386 0.000 . 1 . . . . 12 ASN N . 17062 2
27 . 1 1 15 15 ASN ND2 N 15 111.072 0.000 . 1 . . . . 12 ASN ND2 . 17062 2
28 . 1 1 16 16 VAL H H 1 7.441 0.000 . 1 . . . . 13 VAL H . 17062 2
29 . 1 1 16 16 VAL N N 15 121.420 0.000 . 1 . . . . 13 VAL N . 17062 2
30 . 1 1 17 17 ALA H H 1 8.685 0.000 . 1 . . . . 14 ALA H . 17062 2
31 . 1 1 17 17 ALA N N 15 131.833 0.000 . 1 . . . . 14 ALA N . 17062 2
32 . 1 1 18 18 VAL H H 1 7.401 0.000 . 1 . . . . 15 VAL H . 17062 2
33 . 1 1 18 18 VAL N N 15 117.542 0.000 . 1 . . . . 15 VAL N . 17062 2
34 . 1 1 19 19 THR H H 1 8.908 0.000 . 1 . . . . 16 THR H . 17062 2
35 . 1 1 19 19 THR N N 15 113.983 0.000 . 1 . . . . 16 THR N . 17062 2
36 . 1 1 20 20 VAL H H 1 8.915 0.000 . 1 . . . . 17 VAL H . 17062 2
37 . 1 1 20 20 VAL N N 15 117.352 0.000 . 1 . . . . 17 VAL N . 17062 2
38 . 1 1 21 21 SER H H 1 7.918 0.000 . 1 . . . . 18 SER H . 17062 2
39 . 1 1 21 21 SER N N 15 113.900 0.000 . 1 . . . . 18 SER N . 17062 2
40 . 1 1 22 22 GLY H H 1 8.046 0.000 . 1 . . . . 19 GLY H . 17062 2
41 . 1 1 22 22 GLY N N 15 107.802 0.000 . 1 . . . . 19 GLY N . 17062 2
42 . 1 1 23 23 HIS H H 1 7.111 0.000 . 1 . . . . 20 HIS H . 17062 2
43 . 1 1 23 23 HIS N N 15 119.171 0.000 . 1 . . . . 20 HIS N . 17062 2
44 . 1 1 24 24 THR H H 1 9.293 0.000 . 1 . . . . 21 THR H . 17062 2
45 . 1 1 24 24 THR N N 15 119.913 0.000 . 1 . . . . 21 THR N . 17062 2
46 . 1 1 25 25 CYS H H 1 7.966 0.000 . 1 . . . . 22 CYS H . 17062 2
47 . 1 1 25 25 CYS N N 15 124.049 0.000 . 1 . . . . 22 CYS N . 17062 2
48 . 1 1 26 26 GLN H H 1 9.556 0.000 . 1 . . . . 23 GLN H . 17062 2
49 . 1 1 26 26 GLN HE21 H 1 5.909 0.000 . 1 . . . . 23 GLN HE21 . 17062 2
50 . 1 1 26 26 GLN HE22 H 1 7.587 0.000 . 1 . . . . 23 GLN HE22 . 17062 2
51 . 1 1 26 26 GLN N N 15 127.362 0.000 . 1 . . . . 23 GLN N . 17062 2
52 . 1 1 26 26 GLN NE2 N 15 108.449 0.000 . 1 . . . . 23 GLN NE2 . 17062 2
53 . 1 1 27 27 HIS H H 1 9.001 0.000 . 1 . . . . 24 HIS H . 17062 2
54 . 1 1 27 27 HIS N N 15 128.335 0.000 . 1 . . . . 24 HIS N . 17062 2
55 . 1 1 28 28 TRP H H 1 7.719 0.000 . 1 . . . . 25 TRP H . 17062 2
56 . 1 1 28 28 TRP HE1 H 1 11.546 0.000 . 1 . . . . 25 TRP HE1 . 17062 2
57 . 1 1 28 28 TRP N N 15 124.418 0.000 . 1 . . . . 25 TRP N . 17062 2
58 . 1 1 28 28 TRP NE1 N 15 132.096 0.000 . 1 . . . . 25 TRP NE1 . 17062 2
59 . 1 1 29 29 SER H H 1 8.626 0.000 . 1 . . . . 26 SER H . 17062 2
60 . 1 1 29 29 SER N N 15 107.436 0.000 . 1 . . . . 26 SER N . 17062 2
61 . 1 1 30 30 ALA H H 1 8.046 0.000 . 1 . . . . 27 ALA H . 17062 2
62 . 1 1 30 30 ALA N N 15 125.283 0.000 . 1 . . . . 27 ALA N . 17062 2
63 . 1 1 31 31 GLN H H 1 8.489 0.000 . 1 . . . . 28 GLN H . 17062 2
64 . 1 1 31 31 GLN HE21 H 1 7.344 0.000 . 1 . . . . 28 GLN HE21 . 17062 2
65 . 1 1 31 31 GLN HE22 H 1 5.852 0.000 . 1 . . . . 28 GLN HE22 . 17062 2
66 . 1 1 31 31 GLN N N 15 117.674 0.000 . 1 . . . . 28 GLN N . 17062 2
67 . 1 1 31 31 GLN NE2 N 15 112.594 0.000 . 1 . . . . 28 GLN NE2 . 17062 2
68 . 1 1 32 32 THR H H 1 6.813 0.000 . 1 . . . . 29 THR H . 17062 2
69 . 1 1 32 32 THR N N 15 112.136 0.000 . 1 . . . . 29 THR N . 17062 2
70 . 1 1 34 34 HIS H H 1 8.313 0.000 . 1 . . . . 31 HIS H . 17062 2
71 . 1 1 34 34 HIS N N 15 122.008 0.000 . 1 . . . . 31 HIS N . 17062 2
72 . 1 1 35 35 THR H H 1 8.662 0.000 . 1 . . . . 32 THR H . 17062 2
73 . 1 1 35 35 THR N N 15 116.983 0.000 . 1 . . . . 32 THR N . 17062 2
74 . 1 1 36 36 HIS H H 1 9.619 0.000 . 1 . . . . 33 HIS H . 17062 2
75 . 1 1 36 36 HIS N N 15 122.837 0.000 . 1 . . . . 33 HIS N . 17062 2
76 . 1 1 37 37 ASN H H 1 8.833 0.000 . 1 . . . . 34 ASN H . 17062 2
77 . 1 1 37 37 ASN HD21 H 1 6.981 0.000 . 1 . . . . 34 ASN HD21 . 17062 2
78 . 1 1 37 37 ASN HD22 H 1 7.095 0.000 . 1 . . . . 34 ASN HD22 . 17062 2
79 . 1 1 37 37 ASN N N 15 117.567 0.000 . 1 . . . . 34 ASN N . 17062 2
80 . 1 1 37 37 ASN ND2 N 15 112.086 0.000 . 1 . . . . 34 ASN ND2 . 17062 2
81 . 1 1 39 39 THR H H 1 7.336 0.000 . 1 . . . . 36 THR H . 17062 2
82 . 1 1 39 39 THR N N 15 104.386 0.000 . 1 . . . . 36 THR N . 17062 2
83 . 1 1 41 41 GLU H H 1 8.357 0.000 . 1 . . . . 38 GLU H . 17062 2
84 . 1 1 41 41 GLU N N 15 113.128 0.000 . 1 . . . . 38 GLU N . 17062 2
85 . 1 1 42 42 ASN H H 1 7.823 0.000 . 1 . . . . 39 ASN H . 17062 2
86 . 1 1 42 42 ASN HD21 H 1 6.987 0.000 . 1 . . . . 39 ASN HD21 . 17062 2
87 . 1 1 42 42 ASN HD22 H 1 7.674 0.000 . 1 . . . . 39 ASN HD22 . 17062 2
88 . 1 1 42 42 ASN N N 15 117.627 0.000 . 1 . . . . 39 ASN N . 17062 2
89 . 1 1 42 42 ASN ND2 N 15 110.852 0.000 . 1 . . . . 39 ASN ND2 . 17062 2
90 . 1 1 43 43 PHE H H 1 7.545 0.000 . 1 . . . . 40 PHE H . 17062 2
91 . 1 1 43 43 PHE N N 15 116.798 0.000 . 1 . . . . 40 PHE N . 17062 2
92 . 1 1 46 46 LYS H H 1 7.332 0.000 . 1 . . . . 43 LYS H . 17062 2
93 . 1 1 46 46 LYS N N 15 117.221 0.000 . 1 . . . . 43 LYS N . 17062 2
94 . 1 1 47 47 ASN H H 1 8.075 0.000 . 1 . . . . 44 ASN H . 17062 2
95 . 1 1 47 47 ASN HD21 H 1 6.820 0.000 . 1 . . . . 44 ASN HD21 . 17062 2
96 . 1 1 47 47 ASN HD22 H 1 7.879 0.000 . 1 . . . . 44 ASN HD22 . 17062 2
97 . 1 1 47 47 ASN N N 15 114.751 0.000 . 1 . . . . 44 ASN N . 17062 2
98 . 1 1 47 47 ASN ND2 N 15 112.673 0.000 . 1 . . . . 44 ASN ND2 . 17062 2
99 . 1 1 48 48 LEU H H 1 9.045 0.000 . 1 . . . . 45 LEU H . 17062 2
100 . 1 1 48 48 LEU N N 15 122.371 0.000 . 1 . . . . 45 LEU N . 17062 2
101 . 1 1 49 49 ASP H H 1 7.555 0.000 . 1 . . . . 46 ASP H . 17062 2
102 . 1 1 49 49 ASP N N 15 123.419 0.000 . 1 . . . . 46 ASP N . 17062 2
103 . 1 1 50 50 GLU H H 1 8.788 0.000 . 1 . . . . 47 GLU H . 17062 2
104 . 1 1 50 50 GLU N N 15 115.456 0.000 . 1 . . . . 47 GLU N . 17062 2
105 . 1 1 51 51 ASN H H 1 7.378 0.000 . 1 . . . . 48 ASN H . 17062 2
106 . 1 1 51 51 ASN HD21 H 1 7.504 0.000 . 1 . . . . 48 ASN HD21 . 17062 2
107 . 1 1 51 51 ASN HD22 H 1 6.918 0.000 . 1 . . . . 48 ASN HD22 . 17062 2
108 . 1 1 51 51 ASN N N 15 122.445 0.000 . 1 . . . . 48 ASN N . 17062 2
109 . 1 1 51 51 ASN ND2 N 15 108.176 0.000 . 1 . . . . 48 ASN ND2 . 17062 2
110 . 1 1 52 52 TYR H H 1 7.522 0.000 . 1 . . . . 49 TYR H . 17062 2
111 . 1 1 52 52 TYR N N 15 114.379 0.000 . 1 . . . . 49 TYR N . 17062 2
112 . 1 1 53 53 CYS H H 1 9.355 0.000 . 1 . . . . 50 CYS H . 17062 2
113 . 1 1 53 53 CYS N N 15 118.619 0.000 . 1 . . . . 50 CYS N . 17062 2
114 . 1 1 54 54 ARG H H 1 9.166 0.000 . 1 . . . . 51 ARG H . 17062 2
115 . 1 1 54 54 ARG N N 15 123.898 0.000 . 1 . . . . 51 ARG N . 17062 2
116 . 1 1 55 55 ASN H H 1 8.587 0.000 . 1 . . . . 52 ASN H . 17062 2
117 . 1 1 55 55 ASN HD21 H 1 6.919 0.000 . 1 . . . . 52 ASN HD21 . 17062 2
118 . 1 1 55 55 ASN N N 15 112.719 0.000 . 1 . . . . 52 ASN N . 17062 2
119 . 1 1 55 55 ASN ND2 N 15 106.231 0.000 . 1 . . . . 52 ASN ND2 . 17062 2
120 . 1 1 57 57 ASP H H 1 9.033 0.000 . 1 . . . . 54 ASP H . 17062 2
121 . 1 1 57 57 ASP N N 15 116.062 0.000 . 1 . . . . 54 ASP N . 17062 2
122 . 1 1 58 58 GLY H H 1 8.023 0.000 . 1 . . . . 55 GLY H . 17062 2
123 . 1 1 58 58 GLY N N 15 108.998 0.000 . 1 . . . . 55 GLY N . 17062 2
124 . 1 1 59 59 LYS H H 1 8.777 0.000 . 1 . . . . 56 LYS H . 17062 2
125 . 1 1 59 59 LYS N N 15 119.357 0.000 . 1 . . . . 56 LYS N . 17062 2
126 . 1 1 60 60 ARG H H 1 7.993 0.000 . 1 . . . . 57 ARG H . 17062 2
127 . 1 1 60 60 ARG N N 15 116.384 0.000 . 1 . . . . 57 ARG N . 17062 2
128 . 1 1 61 61 ALA H H 1 7.696 0.000 . 1 . . . . 58 ALA H . 17062 2
129 . 1 1 61 61 ALA N N 15 118.400 0.000 . 1 . . . . 58 ALA N . 17062 2
130 . 1 1 63 63 TRP H H 1 9.228 0.000 . 1 . . . . 60 TRP H . 17062 2
131 . 1 1 63 63 TRP HE1 H 1 10.463 0.000 . 1 . . . . 60 TRP HE1 . 17062 2
132 . 1 1 63 63 TRP N N 15 121.866 0.000 . 1 . . . . 60 TRP N . 17062 2
133 . 1 1 63 63 TRP NE1 N 15 130.031 0.000 . 1 . . . . 60 TRP NE1 . 17062 2
134 . 1 1 64 64 CYS H H 1 8.501 0.000 . 1 . . . . 61 CYS H . 17062 2
135 . 1 1 64 64 CYS N N 15 108.828 0.000 . 1 . . . . 61 CYS N . 17062 2
136 . 1 1 65 65 HIS H H 1 7.509 0.000 . 1 . . . . 62 HIS H . 17062 2
137 . 1 1 65 65 HIS N N 15 119.378 0.000 . 1 . . . . 62 HIS N . 17062 2
138 . 1 1 66 66 THR H H 1 7.436 0.000 . 1 . . . . 63 THR H . 17062 2
139 . 1 1 66 66 THR N N 15 111.902 0.000 . 1 . . . . 63 THR N . 17062 2
140 . 1 1 67 67 THR H H 1 8.500 0.000 . 1 . . . . 64 THR H . 17062 2
141 . 1 1 67 67 THR N N 15 104.276 0.000 . 1 . . . . 64 THR N . 17062 2
142 . 1 1 68 68 ASN H H 1 8.915 0.000 . 1 . . . . 65 ASN H . 17062 2
143 . 1 1 68 68 ASN HD21 H 1 6.842 0.000 . 1 . . . . 65 ASN HD21 . 17062 2
144 . 1 1 68 68 ASN HD22 H 1 7.497 0.000 . 1 . . . . 65 ASN HD22 . 17062 2
145 . 1 1 68 68 ASN N N 15 123.691 0.000 . 1 . . . . 65 ASN N . 17062 2
146 . 1 1 68 68 ASN ND2 N 15 112.277 0.000 . 1 . . . . 65 ASN ND2 . 17062 2
147 . 1 1 69 69 SER H H 1 8.738 0.000 . 1 . . . . 66 SER H . 17062 2
148 . 1 1 69 69 SER N N 15 117.683 0.000 . 1 . . . . 66 SER N . 17062 2
149 . 1 1 70 70 GLN H H 1 8.469 0.000 . 1 . . . . 67 GLN H . 17062 2
150 . 1 1 70 70 GLN HE21 H 1 6.673 0.000 . 1 . . . . 67 GLN HE21 . 17062 2
151 . 1 1 70 70 GLN HE22 H 1 7.111 0.000 . 1 . . . . 67 GLN HE22 . 17062 2
152 . 1 1 70 70 GLN N N 15 117.179 0.000 . 1 . . . . 67 GLN N . 17062 2
153 . 1 1 70 70 GLN NE2 N 15 109.663 0.000 . 1 . . . . 67 GLN NE2 . 17062 2
154 . 1 1 71 71 VAL H H 1 7.469 0.000 . 1 . . . . 68 VAL H . 17062 2
155 . 1 1 71 71 VAL N N 15 120.880 0.000 . 1 . . . . 68 VAL N . 17062 2
156 . 1 1 72 72 ARG H H 1 8.574 0.000 . 1 . . . . 69 ARG H . 17062 2
157 . 1 1 72 72 ARG N N 15 128.191 0.000 . 1 . . . . 69 ARG N . 17062 2
158 . 1 1 73 73 TRP H H 1 7.311 0.000 . 1 . . . . 70 TRP H . 17062 2
159 . 1 1 73 73 TRP HE1 H 1 9.828 0.000 . 1 . . . . 70 TRP HE1 . 17062 2
160 . 1 1 73 73 TRP N N 15 107.852 0.000 . 1 . . . . 70 TRP N . 17062 2
161 . 1 1 73 73 TRP NE1 N 15 129.208 0.000 . 1 . . . . 70 TRP NE1 . 17062 2
162 . 1 1 74 74 GLU H H 1 8.563 0.000 . 1 . . . . 71 GLU H . 17062 2
163 . 1 1 74 74 GLU N N 15 117.997 0.000 . 1 . . . . 71 GLU N . 17062 2
164 . 1 1 75 75 TYR H H 1 7.638 0.000 . 1 . . . . 72 TYR H . 17062 2
165 . 1 1 75 75 TYR N N 15 118.192 0.000 . 1 . . . . 72 TYR N . 17062 2
166 . 1 1 76 76 CYS H H 1 8.728 0.000 . 1 . . . . 73 CYS H . 17062 2
167 . 1 1 76 76 CYS N N 15 116.527 0.000 . 1 . . . . 73 CYS N . 17062 2
168 . 1 1 77 77 LYS H H 1 9.565 0.000 . 1 . . . . 74 LYS H . 17062 2
169 . 1 1 77 77 LYS N N 15 126.311 0.000 . 1 . . . . 74 LYS N . 17062 2
170 . 1 1 78 78 ILE H H 1 8.305 0.000 . 1 . . . . 75 ILE H . 17062 2
171 . 1 1 78 78 ILE N N 15 128.554 0.000 . 1 . . . . 75 ILE N . 17062 2
172 . 1 1 80 80 SER H H 1 8.824 0.000 . 1 . . . . 77 SER H . 17062 2
173 . 1 1 80 80 SER N N 15 122.860 0.000 . 1 . . . . 77 SER N . 17062 2
174 . 1 1 81 81 CYS H H 1 8.649 0.000 . 1 . . . . 78 CYS H . 17062 2
175 . 1 1 81 81 CYS N N 15 121.146 0.000 . 1 . . . . 78 CYS N . 17062 2
176 . 1 1 82 82 ASP H H 1 7.792 0.000 . 1 . . . . 79 ASP H . 17062 2
177 . 1 1 82 82 ASP N N 15 120.266 0.000 . 1 . . . . 79 ASP N . 17062 2
stop_
save_