Content for NMR-STAR saveframe, "AcAMP2F18Pff_Y20Pfff_shifts"
save_AcAMP2F18Pff_Y20Pfff_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode AcAMP2F18Pff_Y20Pfff_shifts
_Assigned_chem_shift_list.Entry_ID 6656
_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 1.828; due the proximity to the aromatic
system of the residue 27
;
_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 $sample-1 . 6656 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 1 1 VAL HA H 1 3.831 0.004 . 1 . . . . . . . . 6656 1
2 . 1 1 1 1 VAL HB H 1 2.143 0.007 . 1 . . . . . . . . 6656 1
3 . 1 1 1 1 VAL HG11 H 1 0.989 0.005 . 2 . . . . . . . . 6656 1
4 . 1 1 1 1 VAL HG12 H 1 0.989 0.005 . 2 . . . . . . . . 6656 1
5 . 1 1 1 1 VAL HG13 H 1 0.989 0.005 . 2 . . . . . . . . 6656 1
6 . 1 1 1 1 VAL HG21 H 1 1.038 0.02 . 2 . . . . . . . . 6656 1
7 . 1 1 1 1 VAL HG22 H 1 1.038 0.02 . 2 . . . . . . . . 6656 1
8 . 1 1 1 1 VAL HG23 H 1 1.038 0.02 . 2 . . . . . . . . 6656 1
9 . 1 1 2 2 GLY H H 1 8.969 0.02 . 1 . . . . . . . . 6656 1
10 . 1 1 2 2 GLY HA2 H 1 3.836 0.001 . 2 . . . . . . . . 6656 1
11 . 1 1 2 2 GLY HA3 H 1 4.224 0.012 . 2 . . . . . . . . 6656 1
12 . 1 1 3 3 GLU H H 1 9.095 0.003 . 1 . . . . . . . . 6656 1
13 . 1 1 3 3 GLU HA H 1 4.255 0.006 . 1 . . . . . . . . 6656 1
14 . 1 1 3 3 GLU HB2 H 1 1.902 0.005 . 2 . . . . . . . . 6656 1
15 . 1 1 3 3 GLU HB3 H 1 1.952 0.008 . 2 . . . . . . . . 6656 1
16 . 1 1 3 3 GLU HG2 H 1 2.362 0.007 . 2 . . . . . . . . 6656 1
17 . 1 1 4 4 CYS H H 1 7.654 0.001 . 1 . . . . . . . . 6656 1
18 . 1 1 4 4 CYS HA H 1 4.420 0.005 . 1 . . . . . . . . 6656 1
19 . 1 1 4 4 CYS HB2 H 1 2.770 0.005 . 2 . . . . . . . . 6656 1
20 . 1 1 4 4 CYS HB3 H 1 3.080 0.004 . 2 . . . . . . . . 6656 1
21 . 1 1 5 5 VAL H H 1 8.398 0.002 . 1 . . . . . . . . 6656 1
22 . 1 1 5 5 VAL HA H 1 4.069 0.003 . 1 . . . . . . . . 6656 1
23 . 1 1 5 5 VAL HB H 1 1.868 0.015 . 1 . . . . . . . . 6656 1
24 . 1 1 5 5 VAL HG11 H 1 0.841 0.007 . 2 . . . . . . . . 6656 1
25 . 1 1 5 5 VAL HG12 H 1 0.841 0.007 . 2 . . . . . . . . 6656 1
26 . 1 1 5 5 VAL HG13 H 1 0.841 0.007 . 2 . . . . . . . . 6656 1
27 . 1 1 6 6 ARG H H 1 9.381 0.003 . 1 . . . . . . . . 6656 1
28 . 1 1 6 6 ARG HA H 1 3.828 0.003 . 1 . . . . . . . . 6656 1
29 . 1 1 6 6 ARG HB2 H 1 1.807 0.008 . 2 . . . . . . . . 6656 1
30 . 1 1 6 6 ARG HB3 H 1 1.885 0.006 . 2 . . . . . . . . 6656 1
31 . 1 1 6 6 ARG HG2 H 1 1.557 0.008 . 2 . . . . . . . . 6656 1
32 . 1 1 6 6 ARG HD2 H 1 3.196 0.007 . 2 . . . . . . . . 6656 1
33 . 1 1 6 6 ARG HE H 1 7.145 0.001 . 1 . . . . . . . . 6656 1
34 . 1 1 7 7 GLY H H 1 8.277 0.002 . 1 . . . . . . . . 6656 1
35 . 1 1 7 7 GLY HA2 H 1 3.679 0.02 . 2 . . . . . . . . 6656 1
36 . 1 1 7 7 GLY HA3 H 1 4.064 0.001 . 2 . . . . . . . . 6656 1
37 . 1 1 8 8 ARG H H 1 7.837 0.004 . 1 . . . . . . . . 6656 1
38 . 1 1 8 8 ARG HA H 1 4.631 0.006 . 1 . . . . . . . . 6656 1
39 . 1 1 8 8 ARG HB2 H 1 1.807 0.006 . 2 . . . . . . . . 6656 1
40 . 1 1 8 8 ARG HB3 H 1 1.857 0.001 . 2 . . . . . . . . 6656 1
41 . 1 1 8 8 ARG HG2 H 1 1.538 0.006 . 2 . . . . . . . . 6656 1
42 . 1 1 8 8 ARG HG3 H 1 1.630 0.004 . 2 . . . . . . . . 6656 1
43 . 1 1 8 8 ARG HD2 H 1 3.143 0.002 . 2 . . . . . . . . 6656 1
44 . 1 1 8 8 ARG HH21 H 1 6.781 0.001 . 2 . . . . . . . . 6656 1
45 . 1 1 8 8 ARG HH22 H 1 7.339 0.001 . 2 . . . . . . . . 6656 1
46 . 1 1 9 9 CYS H H 1 8.608 0.005 . 1 . . . . . . . . 6656 1
47 . 1 1 9 9 CYS HA H 1 5.190 0.003 . 1 . . . . . . . . 6656 1
48 . 1 1 9 9 CYS HB2 H 1 2.225 0.007 . 2 . . . . . . . . 6656 1
49 . 1 1 9 9 CYS HB3 H 1 2.813 0.010 . 2 . . . . . . . . 6656 1
50 . 1 1 10 10 PRO HA H 1 4.405 0.003 . 1 . . . . . . . . 6656 1
51 . 1 1 10 10 PRO HB2 H 1 1.672 0.009 . 2 . . . . . . . . 6656 1
52 . 1 1 10 10 PRO HB3 H 1 2.340 0.006 . 2 . . . . . . . . 6656 1
53 . 1 1 10 10 PRO HG2 H 1 1.911 0.005 . 2 . . . . . . . . 6656 1
54 . 1 1 10 10 PRO HG3 H 1 1.960 0.007 . 2 . . . . . . . . 6656 1
55 . 1 1 10 10 PRO HD2 H 1 3.433 0.007 . 2 . . . . . . . . 6656 1
56 . 1 1 10 10 PRO HD3 H 1 3.916 0.004 . 2 . . . . . . . . 6656 1
57 . 1 1 11 11 SER H H 1 8.278 0.002 . 1 . . . . . . . . 6656 1
58 . 1 1 11 11 SER HA H 1 4.105 0.004 . 1 . . . . . . . . 6656 1
59 . 1 1 11 11 SER HB2 H 1 3.677 0.02 . 2 . . . . . . . . 6656 1
60 . 1 1 12 12 GLY H H 1 8.876 0.002 . 1 . . . . . . . . 6656 1
61 . 1 1 12 12 GLY HA2 H 1 3.627 0.004 . 2 . . . . . . . . 6656 1
62 . 1 1 12 12 GLY HA3 H 1 4.188 0.02 . 2 . . . . . . . . 6656 1
63 . 1 1 13 13 MET H H 1 7.907 0.002 . 1 . . . . . . . . 6656 1
64 . 1 1 13 13 MET HA H 1 4.637 0.009 . 1 . . . . . . . . 6656 1
65 . 1 1 13 13 MET HB2 H 1 1.717 0.006 . 2 . . . . . . . . 6656 1
66 . 1 1 13 13 MET HB3 H 1 1.985 0.006 . 2 . . . . . . . . 6656 1
67 . 1 1 13 13 MET HG2 H 1 2.287 0.006 . 2 . . . . . . . . 6656 1
68 . 1 1 14 14 CYS H H 1 9.212 0.005 . 1 . . . . . . . . 6656 1
69 . 1 1 14 14 CYS HA H 1 4.568 0.007 . 1 . . . . . . . . 6656 1
70 . 1 1 14 14 CYS HB2 H 1 2.360 0.004 . 2 . . . . . . . . 6656 1
71 . 1 1 14 14 CYS HB3 H 1 3.801 0.001 . 2 . . . . . . . . 6656 1
72 . 1 1 15 15 CYS H H 1 8.769 0.003 . 1 . . . . . . . . 6656 1
73 . 1 1 15 15 CYS HA H 1 4.727 0.02 . 1 . . . . . . . . 6656 1
74 . 1 1 15 15 CYS HB2 H 1 2.879 0.002 . 2 . . . . . . . . 6656 1
75 . 1 1 16 16 SER HA H 1 4.893 0.001 . 1 . . . . . . . . 6656 1
76 . 1 1 16 16 SER HB2 H 1 4.376 0.004 . 2 . . . . . . . . 6656 1
77 . 1 1 17 17 GLN H H 1 9.133 0.003 . 1 . . . . . . . . 6656 1
78 . 1 1 17 17 GLN HA H 1 4.027 0.008 . 1 . . . . . . . . 6656 1
79 . 1 1 17 17 GLN HB2 H 1 1.655 0.002 . 2 . . . . . . . . 6656 1
80 . 1 1 17 17 GLN HB3 H 1 1.811 0.006 . 2 . . . . . . . . 6656 1
81 . 1 1 17 17 GLN HG3 H 1 1.573 0.004 . 2 . . . . . . . . 6656 1
82 . 1 1 17 17 GLN HE21 H 1 7.041 0.007 . 2 . . . . . . . . 6656 1
83 . 1 1 17 17 GLN HE22 H 1 7.588 0.02 . 2 . . . . . . . . 6656 1
84 . 1 1 18 18 PFF H H 1 7.489 0.007 . 1 . . . . . . . . 6656 1
85 . 1 1 18 18 PFF HA H 1 4.714 0.02 . 1 . . . . . . . . 6656 1
86 . 1 1 18 18 PFF HB2 H 1 2.791 0.003 . 2 . . . . . . . . 6656 1
87 . 1 1 18 18 PFF HB3 H 1 3.614 0.006 . 2 . . . . . . . . 6656 1
88 . 1 1 18 18 PFF HD1 H 1 7.254 0.002 . 3 . . . . . . . . 6656 1
89 . 1 1 18 18 PFF HE1 H 1 7.048 0.02 . 3 . . . . . . . . 6656 1
90 . 1 1 19 19 GLY H H 1 7.850 0.001 . 1 . . . . . . . . 6656 1
91 . 1 1 19 19 GLY HA2 H 1 3.530 0.002 . 2 . . . . . . . . 6656 1
92 . 1 1 19 19 GLY HA3 H 1 3.925 0.005 . 2 . . . . . . . . 6656 1
93 . 1 1 20 20 PFF H H 1 7.517 0.006 . 1 . . . . . . . . 6656 1
94 . 1 1 20 20 PFF HA H 1 5.064 0.007 . 1 . . . . . . . . 6656 1
95 . 1 1 20 20 PFF HB2 H 1 2.884 0.006 . 2 . . . . . . . . 6656 1
96 . 1 1 20 20 PFF HB3 H 1 3.342 0.006 . 2 . . . . . . . . 6656 1
97 . 1 1 20 20 PFF HD1 H 1 7.035 0.004 . 3 . . . . . . . . 6656 1
98 . 1 1 20 20 PFF HE1 H 1 6.680 0.005 . 3 . . . . . . . . 6656 1
99 . 1 1 21 21 CYS H H 1 8.919 0.004 . 1 . . . . . . . . 6656 1
100 . 1 1 21 21 CYS HA H 1 5.503 0.002 . 1 . . . . . . . . 6656 1
101 . 1 1 21 21 CYS HB2 H 1 2.799 0.02 . 2 . . . . . . . . 6656 1
102 . 1 1 22 22 GLY H H 1 8.422 0.004 . 1 . . . . . . . . 6656 1
103 . 1 1 22 22 GLY HA2 H 1 1.828 0.003 . 2 . . . . . . . . 6656 1
104 . 1 1 22 22 GLY HA3 H 1 3.611 0.005 . 2 . . . . . . . . 6656 1
105 . 1 1 23 23 LYS H H 1 8.034 0.004 . 1 . . . . . . . . 6656 1
106 . 1 1 23 23 LYS HA H 1 4.899 0.005 . 1 . . . . . . . . 6656 1
107 . 1 1 23 23 LYS HB2 H 1 1.621 0.008 . 2 . . . . . . . . 6656 1
108 . 1 1 23 23 LYS HB3 H 1 1.825 0.006 . 2 . . . . . . . . 6656 1
109 . 1 1 23 23 LYS HG2 H 1 1.309 0.007 . 2 . . . . . . . . 6656 1
110 . 1 1 23 23 LYS HG3 H 1 1.403 0.004 . 2 . . . . . . . . 6656 1
111 . 1 1 23 23 LYS HD2 H 1 1.697 0.02 . 2 . . . . . . . . 6656 1
112 . 1 1 23 23 LYS HE2 H 1 2.850 0.02 . 2 . . . . . . . . 6656 1
113 . 1 1 24 24 GLY H H 1 8.347 0.003 . 1 . . . . . . . . 6656 1
114 . 1 1 24 24 GLY HA2 H 1 3.917 0.002 . 2 . . . . . . . . 6656 1
115 . 1 1 24 24 GLY HA3 H 1 4.538 0.005 . 2 . . . . . . . . 6656 1
116 . 1 1 25 25 PRO HA H 1 4.251 0.005 . 1 . . . . . . . . 6656 1
117 . 1 1 25 25 PRO HB2 H 1 1.908 0.003 . 2 . . . . . . . . 6656 1
118 . 1 1 25 25 PRO HG2 H 1 2.021 0.005 . 2 . . . . . . . . 6656 1
119 . 1 1 25 25 PRO HG3 H 1 2.272 0.004 . 2 . . . . . . . . 6656 1
120 . 1 1 25 25 PRO HD2 H 1 3.606 0.001 . 2 . . . . . . . . 6656 1
121 . 1 1 25 25 PRO HD3 H 1 3.809 0.006 . 2 . . . . . . . . 6656 1
122 . 1 1 26 26 LYS H H 1 8.780 0.002 . 1 . . . . . . . . 6656 1
123 . 1 1 26 26 LYS HA H 1 3.976 0.004 . 1 . . . . . . . . 6656 1
124 . 1 1 26 26 LYS HB2 H 1 1.544 0.011 . 2 . . . . . . . . 6656 1
125 . 1 1 26 26 LYS HB3 H 1 1.744 0.005 . 2 . . . . . . . . 6656 1
126 . 1 1 26 26 LYS HG2 H 1 1.075 0.007 . 2 . . . . . . . . 6656 1
127 . 1 1 26 26 LYS HG3 H 1 1.343 0.004 . 2 . . . . . . . . 6656 1
128 . 1 1 27 27 TYR H H 1 7.609 0.002 . 1 . . . . . . . . 6656 1
129 . 1 1 27 27 TYR HA H 1 4.084 0.004 . 1 . . . . . . . . 6656 1
130 . 1 1 27 27 TYR HB2 H 1 2.476 0.006 . 2 . . . . . . . . 6656 1
131 . 1 1 27 27 TYR HB3 H 1 2.931 0.004 . 2 . . . . . . . . 6656 1
132 . 1 1 27 27 TYR HD1 H 1 7.143 0.002 . 3 . . . . . . . . 6656 1
133 . 1 1 27 27 TYR HE1 H 1 6.683 0.007 . 3 . . . . . . . . 6656 1
134 . 1 1 28 28 CYS H H 1 8.465 0.001 . 1 . . . . . . . . 6656 1
135 . 1 1 28 28 CYS HA H 1 4.519 0.009 . 1 . . . . . . . . 6656 1
136 . 1 1 28 28 CYS HB2 H 1 2.712 0.007 . 2 . . . . . . . . 6656 1
137 . 1 1 28 28 CYS HB3 H 1 3.205 0.006 . 2 . . . . . . . . 6656 1
138 . 1 1 29 29 GLY H H 1 7.975 0.002 . 1 . . . . . . . . 6656 1
139 . 1 1 29 29 GLY HA2 H 1 3.973 0.010 . 2 . . . . . . . . 6656 1
140 . 1 1 30 30 ARG H H 1 8.273 0.002 . 1 . . . . . . . . 6656 1
141 . 1 1 30 30 ARG HA H 1 4.261 0.008 . 1 . . . . . . . . 6656 1
142 . 1 1 30 30 ARG HB2 H 1 1.682 0.002 . 2 . . . . . . . . 6656 1
143 . 1 1 30 30 ARG HB3 H 1 1.838 0.004 . 2 . . . . . . . . 6656 1
144 . 1 1 30 30 ARG HG2 H 1 1.547 0.003 . 2 . . . . . . . . 6656 1
145 . 1 1 30 30 ARG HD2 H 1 3.147 0.004 . 2 . . . . . . . . 6656 1
146 . 1 1 30 30 ARG HE H 1 7.145 0.001 . 1 . . . . . . . . 6656 1
147 . 1 1 30 30 ARG HH21 H 1 7.011 0.02 . 1 . . . . . . . . 6656 1
148 . 1 1 30 30 ARG HH22 H 1 7.011 0.02 . 1 . . . . . . . . 6656 1
stop_
save_