Content for NMR-STAR saveframe, "chemical_shifts_AcAMP2F18Nalb"
save_chemical_shifts_AcAMP2F18Nalb
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_AcAMP2F18Nalb
_Assigned_chem_shift_list.Entry_ID 6637
_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 HG2 of GLN17 is upfield shifted (at 0.459); residue 17 is shielded
due the proximity to the naphtyl 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 . 6637 1
2 NOESY 1 $sample-1 . 6637 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 3.895 0.002 . 1 . . . . . . . . . 6637 1
2 . 1 1 1 1 VAL HB H 1 2.193 0.005 . 1 . . . . . . . . . 6637 1
3 . 1 1 1 1 VAL HG11 H 1 1.079 0.003 . 2 . . . . . . . . . 6637 1
4 . 1 1 1 1 VAL HG12 H 1 1.079 0.003 . 2 . . . . . . . . . 6637 1
5 . 1 1 1 1 VAL HG13 H 1 1.079 0.003 . 2 . . . . . . . . . 6637 1
6 . 1 1 1 1 VAL HG21 H 1 1.131 0.003 . 2 . . . . . . . . . 6637 1
7 . 1 1 1 1 VAL HG22 H 1 1.131 0.003 . 2 . . . . . . . . . 6637 1
8 . 1 1 1 1 VAL HG23 H 1 1.131 0.003 . 2 . . . . . . . . . 6637 1
9 . 1 1 2 2 GLY H H 1 8.992 0.002 . 1 . . . . . . . . . 6637 1
10 . 1 1 2 2 GLY HA2 H 1 3.774 0.007 . 2 . . . . . . . . . 6637 1
11 . 1 1 2 2 GLY HA3 H 1 4.311 0.007 . 2 . . . . . . . . . 6637 1
12 . 1 1 3 3 GLU H H 1 9.139 0.002 . 1 . . . . . . . . . 6637 1
13 . 1 1 3 3 GLU HA H 1 4.236 0.004 . 1 . . . . . . . . . 6637 1
14 . 1 1 3 3 GLU HB2 H 1 1.919 0.007 . 2 . . . . . . . . . 6637 1
15 . 1 1 3 3 GLU HG2 H 1 2.451 0.003 . 2 . . . . . . . . . 6637 1
16 . 1 1 4 4 CYS H H 1 7.741 0.003 . 1 . . . . . . . . . 6637 1
17 . 1 1 4 4 CYS HA H 1 4.428 0.002 . 1 . . . . . . . . . 6637 1
18 . 1 1 4 4 CYS HB2 H 1 2.807 0.002 . 2 . . . . . . . . . 6637 1
19 . 1 1 4 4 CYS HB3 H 1 3.141 0.003 . 2 . . . . . . . . . 6637 1
20 . 1 1 5 5 VAL H H 1 8.523 0.003 . 1 . . . . . . . . . 6637 1
21 . 1 1 5 5 VAL HA H 1 4.146 0.006 . 1 . . . . . . . . . 6637 1
22 . 1 1 5 5 VAL HB H 1 1.916 0.006 . 1 . . . . . . . . . 6637 1
23 . 1 1 5 5 VAL HG11 H 1 0.886 0.003 . 2 . . . . . . . . . 6637 1
24 . 1 1 5 5 VAL HG12 H 1 0.886 0.003 . 2 . . . . . . . . . 6637 1
25 . 1 1 5 5 VAL HG13 H 1 0.886 0.003 . 2 . . . . . . . . . 6637 1
26 . 1 1 5 5 VAL HG21 H 1 0.915 0.005 . 2 . . . . . . . . . 6637 1
27 . 1 1 5 5 VAL HG22 H 1 0.915 0.005 . 2 . . . . . . . . . 6637 1
28 . 1 1 5 5 VAL HG23 H 1 0.915 0.005 . 2 . . . . . . . . . 6637 1
29 . 1 1 6 6 ARG H H 1 9.502 0.002 . 1 . . . . . . . . . 6637 1
30 . 1 1 6 6 ARG HA H 1 3.873 0.005 . 1 . . . . . . . . . 6637 1
31 . 1 1 6 6 ARG HB2 H 1 1.854 0.003 . 2 . . . . . . . . . 6637 1
32 . 1 1 6 6 ARG HB3 H 1 1.956 0.003 . 2 . . . . . . . . . 6637 1
33 . 1 1 6 6 ARG HG2 H 1 1.604 0.006 . 2 . . . . . . . . . 6637 1
34 . 1 1 6 6 ARG HD2 H 1 3.251 0.005 . 2 . . . . . . . . . 6637 1
35 . 1 1 6 6 ARG HE H 1 7.211 0.003 . 1 . . . . . . . . . 6637 1
36 . 1 1 7 7 GLY H H 1 8.336 0.002 . 1 . . . . . . . . . 6637 1
37 . 1 1 7 7 GLY HA2 H 1 3.735 0.006 . 2 . . . . . . . . . 6637 1
38 . 1 1 7 7 GLY HA3 H 1 4.127 0.007 . 2 . . . . . . . . . 6637 1
39 . 1 1 8 8 ARG H H 1 7.891 0.002 . 1 . . . . . . . . . 6637 1
40 . 1 1 8 8 ARG HA H 1 4.696 0.005 . 1 . . . . . . . . . 6637 1
41 . 1 1 8 8 ARG HB2 H 1 1.883 0.006 . 2 . . . . . . . . . 6637 1
42 . 1 1 8 8 ARG HB3 H 1 1.919 0.004 . 2 . . . . . . . . . 6637 1
43 . 1 1 8 8 ARG HG2 H 1 1.587 0.004 . 2 . . . . . . . . . 6637 1
44 . 1 1 8 8 ARG HG3 H 1 1.688 0.004 . 2 . . . . . . . . . 6637 1
45 . 1 1 8 8 ARG HD2 H 1 3.205 0.003 . 2 . . . . . . . . . 6637 1
46 . 1 1 8 8 ARG HE H 1 7.192 0.001 . 1 . . . . . . . . . 6637 1
47 . 1 1 9 9 CYS H H 1 8.691 0.002 . 1 . . . . . . . . . 6637 1
48 . 1 1 9 9 CYS HA H 1 5.286 0.002 . 1 . . . . . . . . . 6637 1
49 . 1 1 9 9 CYS HB2 H 1 2.245 0.002 . 2 . . . . . . . . . 6637 1
50 . 1 1 9 9 CYS HB3 H 1 2.880 0.010 . 2 . . . . . . . . . 6637 1
51 . 1 1 10 10 PRO HA H 1 4.470 0.004 . 1 . . . . . . . . . 6637 1
52 . 1 1 10 10 PRO HB2 H 1 1.733 0.003 . 2 . . . . . . . . . 6637 1
53 . 1 1 10 10 PRO HB3 H 1 2.412 0.005 . 2 . . . . . . . . . 6637 1
54 . 1 1 10 10 PRO HG2 H 1 1.979 0.004 . 2 . . . . . . . . . 6637 1
55 . 1 1 10 10 PRO HG3 H 1 2.028 0.006 . 2 . . . . . . . . . 6637 1
56 . 1 1 10 10 PRO HD2 H 1 3.483 0.005 . 2 . . . . . . . . . 6637 1
57 . 1 1 10 10 PRO HD3 H 1 3.989 0.003 . 2 . . . . . . . . . 6637 1
58 . 1 1 11 11 SER H H 1 8.408 0.003 . 1 . . . . . . . . . 6637 1
59 . 1 1 11 11 SER HA H 1 4.166 0.002 . 1 . . . . . . . . . 6637 1
60 . 1 1 11 11 SER HB2 H 1 3.853 0.003 . 2 . . . . . . . . . 6637 1
61 . 1 1 12 12 GLY H H 1 8.950 0.001 . 1 . . . . . . . . . 6637 1
62 . 1 1 12 12 GLY HA2 H 1 3.689 0.003 . 2 . . . . . . . . . 6637 1
63 . 1 1 12 12 GLY HA3 H 1 4.240 0.007 . 2 . . . . . . . . . 6637 1
64 . 1 1 13 13 MET H H 1 7.944 0.003 . 1 . . . . . . . . . 6637 1
65 . 1 1 13 13 MET HA H 1 4.645 0.001 . 1 . . . . . . . . . 6637 1
66 . 1 1 13 13 MET HB2 H 1 1.758 0.004 . 2 . . . . . . . . . 6637 1
67 . 1 1 13 13 MET HB3 H 1 2.062 0.002 . 2 . . . . . . . . . 6637 1
68 . 1 1 13 13 MET HG2 H 1 2.343 0.005 . 2 . . . . . . . . . 6637 1
69 . 1 1 13 13 MET HE1 H 1 2.105 0.001 . 1 . . . . . . . . . 6637 1
70 . 1 1 13 13 MET HE2 H 1 2.105 0.001 . 1 . . . . . . . . . 6637 1
71 . 1 1 13 13 MET HE3 H 1 2.105 0.001 . 1 . . . . . . . . . 6637 1
72 . 1 1 14 14 CYS H H 1 9.341 0.002 . 1 . . . . . . . . . 6637 1
73 . 1 1 14 14 CYS HA H 1 4.581 0.003 . 1 . . . . . . . . . 6637 1
74 . 1 1 14 14 CYS HB2 H 1 2.394 0.003 . 2 . . . . . . . . . 6637 1
75 . 1 1 14 14 CYS HB3 H 1 3.907 0.003 . 2 . . . . . . . . . 6637 1
76 . 1 1 15 15 CYS H H 1 8.832 0.002 . 1 . . . . . . . . . 6637 1
77 . 1 1 15 15 CYS HA H 1 4.844 0.003 . 1 . . . . . . . . . 6637 1
78 . 1 1 15 15 CYS HB2 H 1 2.893 0.002 . 2 . . . . . . . . . 6637 1
79 . 1 1 15 15 CYS HB3 H 1 2.948 0.003 . 2 . . . . . . . . . 6637 1
80 . 1 1 16 16 SER H H 1 9.964 0.002 . 1 . . . . . . . . . 6637 1
81 . 1 1 16 16 SER HA H 1 5.126 0.003 . 1 . . . . . . . . . 6637 1
82 . 1 1 16 16 SER HB2 H 1 4.597 0.001 . 2 . . . . . . . . . 6637 1
83 . 1 1 17 17 GLN H H 1 9.182 0.002 . 1 . . . . . . . . . 6637 1
84 . 1 1 17 17 GLN HA H 1 4.098 0.003 . 1 . . . . . . . . . 6637 1
85 . 1 1 17 17 GLN HB2 H 1 1.465 0.003 . 2 . . . . . . . . . 6637 1
86 . 1 1 17 17 GLN HB3 H 1 1.689 0.005 . 2 . . . . . . . . . 6637 1
87 . 1 1 17 17 GLN HG2 H 1 0.459 0.003 . 2 . . . . . . . . . 6637 1
88 . 1 1 17 17 GLN HG3 H 1 1.247 0.064 . 2 . . . . . . . . . 6637 1
89 . 1 1 17 17 GLN HE21 H 1 6.320 0.003 . 2 . . . . . . . . . 6637 1
90 . 1 1 17 17 GLN HE22 H 1 6.439 0.003 . 2 . . . . . . . . . 6637 1
91 . 1 1 18 18 NAL H H 1 7.884 0.003 . 1 . . . . . . . . . 6637 1
92 . 1 1 18 18 NAL HA H 1 4.870 0.004 . 1 . . . . . . . . . 6637 1
93 . 1 1 18 18 NAL HB2 H 1 3.084 0.003 . 2 . . . . . . . . . 6637 1
94 . 1 1 18 18 NAL HB3 H 1 3.788 0.003 . 2 . . . . . . . . . 6637 1
95 . 1 1 18 18 NAL HD1 H 1 7.573 0.003 . 1 . . . . . . . . . 6637 1
96 . 1 1 18 18 NAL HD2 H 1 7.432 0.002 . 1 . . . . . . . . . 6637 1
97 . 1 1 18 18 NAL HE2 H 1 7.974 0.003 . 1 . . . . . . . . . 6637 1
98 . 1 1 18 18 NAL HH2 H 1 7.878 0.004 . 1 . . . . . . . . . 6637 1
99 . 1 1 18 18 NAL HP H 1 7.518 0.001 . 1 . . . . . . . . . 6637 1
100 . 1 1 18 18 NAL HH1 H 1 7.546 0.001 . 1 . . . . . . . . . 6637 1
101 . 1 1 18 18 NAL HZ1 H 1 7.847 0.002 . 1 . . . . . . . . . 6637 1
102 . 1 1 19 19 GLY H H 1 8.036 0.002 . 1 . . . . . . . . . 6637 1
103 . 1 1 19 19 GLY HA2 H 1 3.604 0.004 . 2 . . . . . . . . . 6637 1
104 . 1 1 19 19 GLY HA3 H 1 4.064 0.001 . 2 . . . . . . . . . 6637 1
105 . 1 1 20 20 TYR H H 1 7.558 0.003 . 1 . . . . . . . . . 6637 1
106 . 1 1 20 20 TYR HA H 1 5.046 0.003 . 1 . . . . . . . . . 6637 1
107 . 1 1 20 20 TYR HB2 H 1 3.076 0.002 . 2 . . . . . . . . . 6637 1
108 . 1 1 20 20 TYR HB3 H 1 3.441 0.004 . 2 . . . . . . . . . 6637 1
109 . 1 1 20 20 TYR HD1 H 1 7.064 0.003 . 3 . . . . . . . . . 6637 1
110 . 1 1 20 20 TYR HE1 H 1 6.908 0.002 . 3 . . . . . . . . . 6637 1
111 . 1 1 21 21 CYS H H 1 8.928 0.004 . 1 . . . . . . . . . 6637 1
112 . 1 1 21 21 CYS HA H 1 5.658 0.002 . 1 . . . . . . . . . 6637 1
113 . 1 1 21 21 CYS HB2 H 1 2.856 0.001 . 2 . . . . . . . . . 6637 1
114 . 1 1 22 22 GLY H H 1 8.554 0.003 . 1 . . . . . . . . . 6637 1
115 . 1 1 22 22 GLY HA2 H 1 1.829 0.002 . 2 . . . . . . . . . 6637 1
116 . 1 1 22 22 GLY HA3 H 1 3.648 0.001 . 2 . . . . . . . . . 6637 1
117 . 1 1 23 23 LYS H H 1 8.140 0.002 . 1 . . . . . . . . . 6637 1
118 . 1 1 23 23 LYS HA H 1 4.980 0.001 . 1 . . . . . . . . . 6637 1
119 . 1 1 23 23 LYS HB2 H 1 1.685 0.006 . 2 . . . . . . . . . 6637 1
120 . 1 1 23 23 LYS HB3 H 1 1.902 0.003 . 2 . . . . . . . . . 6637 1
121 . 1 1 23 23 LYS HG2 H 1 1.353 0.003 . 2 . . . . . . . . . 6637 1
122 . 1 1 23 23 LYS HG3 H 1 1.484 0.005 . 2 . . . . . . . . . 6637 1
123 . 1 1 23 23 LYS HE2 H 1 2.914 0.001 . 2 . . . . . . . . . 6637 1
124 . 1 1 24 24 GLY H H 1 8.385 0.003 . 1 . . . . . . . . . 6637 1
125 . 1 1 24 24 GLY HA2 H 1 4.003 0.005 . 2 . . . . . . . . . 6637 1
126 . 1 1 24 24 GLY HA3 H 1 4.610 0.005 . 2 . . . . . . . . . 6637 1
127 . 1 1 25 25 PRO HA H 1 4.305 0.054 . 1 . . . . . . . . . 6637 1
128 . 1 1 25 25 PRO HB2 H 1 1.986 0.003 . 2 . . . . . . . . . 6637 1
129 . 1 1 25 25 PRO HB3 H 1 2.352 0.003 . 2 . . . . . . . . . 6637 1
130 . 1 1 25 25 PRO HG2 H 1 2.082 0.002 . 2 . . . . . . . . . 6637 1
131 . 1 1 25 25 PRO HG3 H 1 2.123 0.003 . 2 . . . . . . . . . 6637 1
132 . 1 1 25 25 PRO HD2 H 1 3.687 0.002 . 2 . . . . . . . . . 6637 1
133 . 1 1 25 25 PRO HD3 H 1 3.893 0.002 . 2 . . . . . . . . . 6637 1
134 . 1 1 26 26 LYS H H 1 8.997 0.002 . 1 . . . . . . . . . 6637 1
135 . 1 1 26 26 LYS HA H 1 4.119 0.005 . 1 . . . . . . . . . 6637 1
136 . 1 1 26 26 LYS HB2 H 1 1.548 0.006 . 2 . . . . . . . . . 6637 1
137 . 1 1 26 26 LYS HB3 H 1 1.859 0.009 . 2 . . . . . . . . . 6637 1
138 . 1 1 26 26 LYS HG2 H 1 1.425 0.003 . 1 . . . . . . . . . 6637 1
139 . 1 1 26 26 LYS HD2 H 1 1.711 0.003 . 1 . . . . . . . . . 6637 1
140 . 1 1 26 26 LYS HE2 H 1 3.008 0.002 . 1 . . . . . . . . . 6637 1
141 . 1 1 27 27 TYR H H 1 7.584 0.003 . 1 . . . . . . . . . 6637 1
142 . 1 1 27 27 TYR HA H 1 4.194 0.009 . 1 . . . . . . . . . 6637 1
143 . 1 1 27 27 TYR HB2 H 1 2.549 0.004 . 2 . . . . . . . . . 6637 1
144 . 1 1 27 27 TYR HB3 H 1 3.016 0.004 . 2 . . . . . . . . . 6637 1
145 . 1 1 27 27 TYR HD1 H 1 7.279 0.004 . 3 . . . . . . . . . 6637 1
146 . 1 1 27 27 TYR HE1 H 1 6.695 0.004 . 3 . . . . . . . . . 6637 1
147 . 1 1 28 28 CYS H H 1 8.575 0.002 . 1 . . . . . . . . . 6637 1
148 . 1 1 28 28 CYS HA H 1 4.526 0.004 . 1 . . . . . . . . . 6637 1
149 . 1 1 28 28 CYS HB2 H 1 2.773 0.003 . 2 . . . . . . . . . 6637 1
150 . 1 1 28 28 CYS HB3 H 1 3.254 0.005 . 2 . . . . . . . . . 6637 1
151 . 1 1 29 29 GLY H H 1 7.983 0.003 . 1 . . . . . . . . . 6637 1
152 . 1 1 29 29 GLY HA3 H 1 4.023 0.004 . 2 . . . . . . . . . 6637 1
153 . 1 1 30 30 ARG H H 1 8.359 0.004 . 1 . . . . . . . . . 6637 1
154 . 1 1 30 30 ARG HA H 1 4.296 0.003 . 1 . . . . . . . . . 6637 1
155 . 1 1 30 30 ARG HB2 H 1 1.757 0.064 . 2 . . . . . . . . . 6637 1
156 . 1 1 30 30 ARG HB3 H 1 1.869 0.009 . 2 . . . . . . . . . 6637 1
157 . 1 1 30 30 ARG HG2 H 1 1.610 0.003 . 2 . . . . . . . . . 6637 1
158 . 1 1 30 30 ARG HG3 H 1 1.739 0.000 . 2 . . . . . . . . . 6637 1
159 . 1 1 30 30 ARG HD2 H 1 3.196 0.008 . 2 . . . . . . . . . 6637 1
160 . 1 1 30 30 ARG HE H 1 7.207 0.018 . 1 . . . . . . . . . 6637 1
stop_
save_