Content for NMR-STAR saveframe, "AcAMP2F18Wb_shift"
save_AcAMP2F18Wb_shift
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode AcAMP2F18Wb_shift
_Assigned_chem_shift_list.Entry_ID 6647
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions-1
_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
;
The atom HA2 of GLY22 shows up at 1.739, due to near by Tyr27. The atoms HG2
and HG3 of GLN17 are upfield shifted (at 0.777 and 1.088 respectively);
residue 17 is shielded due the proximity to the tryptophan aromatic system of
the residue 18.
;
_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 TOCSY 1 $sample-1 . 6647 1
2 NOESY 1 $sample-1 . 6647 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.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 1 1 VAL HA H 1 3.822 0.001 . 1 . . . . . . . . . 6647 1
2 . 1 1 1 1 VAL HB H 1 2.128 0.001 . 1 . . . . . . . . . 6647 1
3 . 1 1 1 1 VAL HG11 H 1 1.010 0.001 . 2 . . . . . . . . . 6647 1
4 . 1 1 1 1 VAL HG12 H 1 1.010 0.001 . 2 . . . . . . . . . 6647 1
5 . 1 1 1 1 VAL HG13 H 1 1.010 0.001 . 2 . . . . . . . . . 6647 1
6 . 1 1 1 1 VAL HG21 H 1 1.062 0.001 . 2 . . . . . . . . . 6647 1
7 . 1 1 1 1 VAL HG22 H 1 1.062 0.001 . 2 . . . . . . . . . 6647 1
8 . 1 1 1 1 VAL HG23 H 1 1.062 0.001 . 2 . . . . . . . . . 6647 1
9 . 1 1 2 2 GLY H H 1 8.913 0.002 . 1 . . . . . . . . . 6647 1
10 . 1 1 2 2 GLY HA2 H 1 3.721 0.005 . 2 . . . . . . . . . 6647 1
11 . 1 1 2 2 GLY HA3 H 1 4.280 0.000 . 3 . . . . . . . . . 6647 1
12 . 1 1 3 3 GLU H H 1 9.061 0.002 . 1 . . . . . . . . . 6647 1
13 . 1 1 3 3 GLU HA H 1 4.181 0.003 . 1 . . . . . . . . . 6647 1
14 . 1 1 3 3 GLU HB2 H 1 1.867 0.004 . 2 . . . . . . . . . 6647 1
15 . 1 1 3 3 GLU HG2 H 1 2.389 0.002 . 2 . . . . . . . . . 6647 1
16 . 1 1 4 4 CYS H H 1 7.684 0.002 . 1 . . . . . . . . . 6647 1
17 . 1 1 4 4 CYS HA H 1 4.370 0.005 . 1 . . . . . . . . . 6647 1
18 . 1 1 4 4 CYS HB2 H 1 2.741 0.007 . 2 . . . . . . . . . 6647 1
19 . 1 1 4 4 CYS HB3 H 1 3.073 0.005 . 2 . . . . . . . . . 6647 1
20 . 1 1 5 5 VAL H H 1 8.441 0.002 . 1 . . . . . . . . . 6647 1
21 . 1 1 5 5 VAL HA H 1 4.076 0.006 . 1 . . . . . . . . . 6647 1
22 . 1 1 5 5 VAL HB H 1 1.853 0.007 . 1 . . . . . . . . . 6647 1
23 . 1 1 5 5 VAL HG11 H 1 0.822 0.004 . 2 . . . . . . . . . 6647 1
24 . 1 1 5 5 VAL HG12 H 1 0.822 0.004 . 2 . . . . . . . . . 6647 1
25 . 1 1 5 5 VAL HG13 H 1 0.822 0.004 . 2 . . . . . . . . . 6647 1
26 . 1 1 5 5 VAL HG21 H 1 0.849 0.005 . 2 . . . . . . . . . 6647 1
27 . 1 1 5 5 VAL HG22 H 1 0.849 0.005 . 2 . . . . . . . . . 6647 1
28 . 1 1 5 5 VAL HG23 H 1 0.849 0.005 . 2 . . . . . . . . . 6647 1
29 . 1 1 6 6 ARG H H 1 9.422 0.006 . 1 . . . . . . . . . 6647 1
30 . 1 1 6 6 ARG HA H 1 3.807 0.003 . 1 . . . . . . . . . 6647 1
31 . 1 1 6 6 ARG HB2 H 1 1.792 0.007 . 2 . . . . . . . . . 6647 1
32 . 1 1 6 6 ARG HB3 H 1 1.897 0.011 . 2 . . . . . . . . . 6647 1
33 . 1 1 6 6 ARG HG2 H 1 1.544 0.008 . 2 . . . . . . . . . 6647 1
34 . 1 1 6 6 ARG HD2 H 1 3.146 0.029 . 2 . . . . . . . . . 6647 1
35 . 1 1 6 6 ARG HD3 H 1 3.179 0.002 . 2 . . . . . . . . . 6647 1
36 . 1 1 6 6 ARG HE H 1 7.147 0.002 . 1 . . . . . . . . . 6647 1
37 . 1 1 7 7 GLY H H 1 8.264 0.003 . 1 . . . . . . . . . 6647 1
38 . 1 1 7 7 GLY HA2 H 1 3.668 0.007 . 2 . . . . . . . . . 6647 1
39 . 1 1 7 7 GLY HA3 H 1 4.058 0.007 . 2 . . . . . . . . . 6647 1
40 . 1 1 8 8 ARG H H 1 7.822 0.002 . 1 . . . . . . . . . 6647 1
41 . 1 1 8 8 ARG HA H 1 4.629 0.001 . 1 . . . . . . . . . 6647 1
42 . 1 1 8 8 ARG HB2 H 1 1.818 0.008 . 2 . . . . . . . . . 6647 1
43 . 1 1 8 8 ARG HB3 H 1 1.853 0.006 . 2 . . . . . . . . . 6647 1
44 . 1 1 8 8 ARG HG2 H 1 1.522 0.005 . 2 . . . . . . . . . 6647 1
45 . 1 1 8 8 ARG HG3 H 1 1.621 0.006 . 2 . . . . . . . . . 6647 1
46 . 1 1 8 8 ARG HD2 H 1 3.137 0.004 . 2 . . . . . . . . . 6647 1
47 . 1 1 8 8 ARG HE H 1 7.124 0.002 . 1 . . . . . . . . . 6647 1
48 . 1 1 9 9 CYS H H 1 8.615 0.005 . 1 . . . . . . . . . 6647 1
49 . 1 1 9 9 CYS HA H 1 5.214 0.005 . 2 . . . . . . . . . 6647 1
50 . 1 1 9 9 CYS HB2 H 1 2.186 0.011 . 1 . . . . . . . . . 6647 1
51 . 1 1 9 9 CYS HB3 H 1 2.803 0.009 . 1 . . . . . . . . . 6647 1
52 . 1 1 10 10 PRO HA H 1 4.404 0.002 . 1 . . . . . . . . . 6647 1
53 . 1 1 10 10 PRO HB2 H 1 1.667 0.003 . 2 . . . . . . . . . 6647 1
54 . 1 1 10 10 PRO HB3 H 1 2.343 0.002 . 2 . . . . . . . . . 6647 1
55 . 1 1 10 10 PRO HG2 H 1 1.925 0.010 . 2 . . . . . . . . . 6647 1
56 . 1 1 10 10 PRO HG3 H 1 1.970 0.014 . 2 . . . . . . . . . 6647 1
57 . 1 1 10 10 PRO HD2 H 1 3.415 0.003 . 2 . . . . . . . . . 6647 1
58 . 1 1 10 10 PRO HD3 H 1 3.918 0.004 . 2 . . . . . . . . . 6647 1
59 . 1 1 11 11 SER H H 1 8.346 0.003 . 1 . . . . . . . . . 6647 1
60 . 1 1 11 11 SER HA H 1 4.104 0.004 . 1 . . . . . . . . . 6647 1
61 . 1 1 11 11 SER HB2 H 1 3.788 0.002 . 2 . . . . . . . . . 6647 1
62 . 1 1 12 12 GLY H H 1 8.876 0.006 . 1 . . . . . . . . . 6647 1
63 . 1 1 12 12 GLY HA2 H 1 4.176 0.012 . 2 . . . . . . . . . 6647 1
64 . 1 1 12 12 GLY HA3 H 1 3.629 0.008 . 2 . . . . . . . . . 6647 1
65 . 1 1 13 13 MET H H 1 7.871 0.003 . 1 . . . . . . . . . 6647 1
66 . 1 1 13 13 MET HA H 1 4.572 0.001 . 1 . . . . . . . . . 6647 1
67 . 1 1 13 13 MET HB2 H 1 1.688 0.006 . 2 . . . . . . . . . 6647 1
68 . 1 1 13 13 MET HB3 H 1 1.996 0.010 . 2 . . . . . . . . . 6647 1
69 . 1 1 13 13 MET HG2 H 1 2.279 0.007 . 2 . . . . . . . . . 6647 1
70 . 1 1 14 14 CYS H H 1 9.261 0.002 . 1 . . . . . . . . . 6647 1
71 . 1 1 14 14 CYS HA H 1 4.524 0.008 . 1 . . . . . . . . . 6647 1
72 . 1 1 14 14 CYS HB2 H 1 2.334 0.008 . 2 . . . . . . . . . 6647 1
73 . 1 1 14 14 CYS HB3 H 1 3.841 0.006 . 2 . . . . . . . . . 6647 1
74 . 1 1 15 15 CYS H H 1 8.756 0.005 . 1 . . . . . . . . . 6647 1
75 . 1 1 15 15 CYS HA H 1 4.779 0.007 . 1 . . . . . . . . . 6647 1
76 . 1 1 15 15 CYS HB2 H 1 2.846 0.015 . 2 . . . . . . . . . 6647 1
77 . 1 1 15 15 CYS HB3 H 1 2.875 0.001 . 2 . . . . . . . . . 6647 1
78 . 1 1 16 16 SER H H 1 9.889 0.002 . 1 . . . . . . . . . 6647 1
79 . 1 1 16 16 SER HA H 1 5.065 0.005 . 1 . . . . . . . . . 6647 1
80 . 1 1 16 16 SER HB2 H 1 4.491 0.006 . 2 . . . . . . . . . 6647 1
81 . 1 1 16 16 SER HB3 H 1 4.538 0.004 . 2 . . . . . . . . . 6647 1
82 . 1 1 17 17 GLN H H 1 9.050 0.004 . 1 . . . . . . . . . 6647 1
83 . 1 1 17 17 GLN HA H 1 3.947 0.005 . 1 . . . . . . . . . 6647 1
84 . 1 1 17 17 GLN HB2 H 1 1.253 0.002 . 2 . . . . . . . . . 6647 1
85 . 1 1 17 17 GLN HB3 H 1 1.488 0.007 . 2 . . . . . . . . . 6647 1
86 . 1 1 17 17 GLN HG2 H 1 0.777 0.007 . 2 . . . . . . . . . 6647 1
87 . 1 1 17 17 GLN HG3 H 1 1.088 0.014 . 2 . . . . . . . . . 6647 1
88 . 1 1 17 17 GLN HE21 H 1 6.635 0.001 . 2 . . . . . . . . . 6647 1
89 . 1 1 17 17 GLN HE22 H 1 6.896 0.001 . 2 . . . . . . . . . 6647 1
90 . 1 1 18 18 TRP H H 1 7.666 0.004 . 1 . . . . . . . . . 6647 1
91 . 1 1 18 18 TRP HA H 1 4.721 0.009 . 1 . . . . . . . . . 6647 1
92 . 1 1 18 18 TRP HB2 H 1 3.065 0.004 . 2 . . . . . . . . . 6647 1
93 . 1 1 18 18 TRP HB3 H 1 3.664 0.004 . 2 . . . . . . . . . 6647 1
94 . 1 1 18 18 TRP HD1 H 1 7.171 0.001 . 1 . . . . . . . . . 6647 1
95 . 1 1 18 18 TRP HE3 H 1 7.572 0.002 . 1 . . . . . . . . . 6647 1
96 . 1 1 18 18 TRP HE1 H 1 10.201 0.002 . 1 . . . . . . . . . 6647 1
97 . 1 1 18 18 TRP HZ3 H 1 7.013 0.001 . 1 . . . . . . . . . 6647 1
98 . 1 1 18 18 TRP HZ2 H 1 7.374 0.001 . 1 . . . . . . . . . 6647 1
99 . 1 1 18 18 TRP HH2 H 1 7.147 0.004 . 1 . . . . . . . . . 6647 1
100 . 1 1 19 19 GLY H H 1 7.939 0.001 . 1 . . . . . . . . . 6647 1
101 . 1 1 19 19 GLY HA2 H 1 3.528 0.008 . 2 . . . . . . . . . 6647 1
102 . 1 1 19 19 GLY HA3 H 1 3.979 0.006 . 2 . . . . . . . . . 6647 1
103 . 1 1 20 20 TYR H H 1 7.522 0.003 . 1 . . . . . . . . . 6647 1
104 . 1 1 20 20 TYR HA H 1 4.980 0.003 . 1 . . . . . . . . . 6647 1
105 . 1 1 20 20 TYR HB2 H 1 2.987 0.004 . 2 . . . . . . . . . 6647 1
106 . 1 1 20 20 TYR HB3 H 1 3.362 0.005 . 2 . . . . . . . . . 6647 1
107 . 1 1 20 20 TYR HD1 H 1 7.005 0.002 . 1 . . . . . . . . . 6647 1
108 . 1 1 20 20 TYR HE1 H 1 6.843 0.002 . 1 . . . . . . . . . 6647 1
109 . 1 1 21 21 CYS H H 1 8.856 0.007 . 1 . . . . . . . . . 6647 1
110 . 1 1 21 21 CYS HA H 1 5.594 0.003 . 1 . . . . . . . . . 6647 1
111 . 1 1 21 21 CYS HB2 H 1 2.801 0.013 . 2 . . . . . . . . . 6647 1
112 . 1 1 22 22 GLY H H 1 8.480 0.004 . 1 . . . . . . . . . 6647 1
113 . 1 1 22 22 GLY HA2 H 1 1.739 0.011 . 2 . . . . . . . . . 6647 1
114 . 1 1 22 22 GLY HA3 H 1 3.587 0.009 . 2 . . . . . . . . . 6647 1
115 . 1 1 23 23 LYS H H 1 8.074 0.058 . 1 . . . . . . . . . 6647 1
116 . 1 1 23 23 LYS HA H 1 4.906 0.002 . 1 . . . . . . . . . 6647 1
117 . 1 1 23 23 LYS HB2 H 1 1.620 0.020 . 2 . . . . . . . . . 6647 1
118 . 1 1 23 23 LYS HB3 H 1 1.837 0.004 . 2 . . . . . . . . . 6647 1
119 . 1 1 23 23 LYS HG2 H 1 1.291 0.003 . 2 . . . . . . . . . 6647 1
120 . 1 1 23 23 LYS HG3 H 1 1.420 0.008 . 2 . . . . . . . . . 6647 1
121 . 1 1 23 23 LYS HD2 H 1 1.618 0.007 . 2 . . . . . . . . . 6647 1
122 . 1 1 23 23 LYS HE2 H 1 2.849 0.005 . 2 . . . . . . . . . 6647 1
123 . 1 1 24 24 GLY H H 1 8.303 0.004 . 1 . . . . . . . . . 6647 1
124 . 1 1 24 24 GLY HA2 H 1 3.939 0.004 . 2 . . . . . . . . . 6647 1
125 . 1 1 24 24 GLY HA3 H 1 4.548 0.003 . 2 . . . . . . . . . 6647 1
126 . 1 1 25 25 PRO HA H 1 4.248 0.001 . 1 . . . . . . . . . 6647 1
127 . 1 1 25 25 PRO HB2 H 1 1.918 0.004 . 2 . . . . . . . . . 6647 1
128 . 1 1 25 25 PRO HB3 H 1 2.286 0.003 . 2 . . . . . . . . . 6647 1
129 . 1 1 25 25 PRO HG3 H 1 2.047 0.009 . 2 . . . . . . . . . 6647 1
130 . 1 1 25 25 PRO HD2 H 1 3.621 0.002 . 2 . . . . . . . . . 6647 1
131 . 1 1 25 25 PRO HD3 H 1 3.821 0.007 . 2 . . . . . . . . . 6647 1
132 . 1 1 26 26 LYS H H 1 8.909 0.004 . 1 . . . . . . . . . 6647 1
133 . 1 1 26 26 LYS HA H 1 4.041 0.009 . 1 . . . . . . . . . 6647 1
134 . 1 1 26 26 LYS HB2 H 1 1.645 0.000 . 2 . . . . . . . . . 6647 1
135 . 1 1 26 26 LYS HB3 H 1 1.768 0.012 . 2 . . . . . . . . . 6647 1
136 . 1 1 26 26 LYS HG2 H 1 1.333 0.009 . 2 . . . . . . . . . 6647 1
137 . 1 1 26 26 LYS HG3 H 1 1.467 0.011 . 2 . . . . . . . . . 6647 1
138 . 1 1 26 26 LYS HD2 H 1 1.637 0.008 . 2 . . . . . . . . . 6647 1
139 . 1 1 26 26 LYS HE2 H 1 2.939 0.006 . 2 . . . . . . . . . 6647 1
140 . 1 1 27 27 TYR H H 1 7.472 0.002 . 1 . . . . . . . . . 6647 1
141 . 1 1 27 27 TYR HA H 1 4.113 0.010 . 1 . . . . . . . . . 6647 1
142 . 1 1 27 27 TYR HB2 H 1 2.494 0.007 . 2 . . . . . . . . . 6647 1
143 . 1 1 27 27 TYR HB3 H 1 2.946 0.006 . 2 . . . . . . . . . 6647 1
144 . 1 1 27 27 TYR HD1 H 1 7.199 0.007 . 2 . . . . . . . . . 6647 1
145 . 1 1 27 27 TYR HE1 H 1 6.621 0.001 . 2 . . . . . . . . . 6647 1
146 . 1 1 28 28 CYS H H 1 8.492 0.002 . 1 . . . . . . . . . 6647 1
147 . 1 1 28 28 CYS HA H 1 4.459 0.004 . 1 . . . . . . . . . 6647 1
148 . 1 1 28 28 CYS HB2 H 1 2.720 0.005 . 2 . . . . . . . . . 6647 1
149 . 1 1 28 28 CYS HB3 H 1 3.190 0.011 . 2 . . . . . . . . . 6647 1
150 . 1 1 29 29 GLY H H 1 7.933 0.003 . 1 . . . . . . . . . 6647 1
151 . 1 1 29 29 GLY HA2 H 1 3.973 0.005 . 2 . . . . . . . . . 6647 1
152 . 1 1 30 30 ARG H H 1 8.305 0.003 . 1 . . . . . . . . . 6647 1
153 . 1 1 30 30 ARG HA H 1 4.251 0.003 . 1 . . . . . . . . . 6647 1
154 . 1 1 30 30 ARG HB2 H 1 1.667 0.006 . 2 . . . . . . . . . 6647 1
155 . 1 1 30 30 ARG HB3 H 1 1.824 0.008 . 2 . . . . . . . . . 6647 1
156 . 1 1 30 30 ARG HG2 H 1 1.543 0.011 . 2 . . . . . . . . . 6647 1
157 . 1 1 30 30 ARG HG3 H 1 1.581 0.004 . 2 . . . . . . . . . 6647 1
158 . 1 1 30 30 ARG HD2 H 1 3.109 0.014 . 2 . . . . . . . . . 6647 1
159 . 1 1 30 30 ARG HD3 H 1 3.117 0.002 . 2 . . . . . . . . . 6647 1
160 . 1 1 30 30 ARG HE H 1 7.120 0.004 . 1 . . . . . . . . . 6647 1
stop_
save_