###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shifts_AcAMP2F18W
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_AcAMP2F18W
_Assigned_chem_shift_list.Entry_ID 6639
_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 .
_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 . 6639 1
2 NOESY 1 $sample-1 . 6639 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 3.868 0.003 . 1 . . . . . . . . . 6639 1
2 . 1 1 1 1 VAL HB H 1 2.191 0.002 . 1 . . . . . . . . . 6639 1
3 . 1 1 1 1 VAL HG21 H 1 1.013 0.002 . 2 . . . . . . . . . 6639 1
4 . 1 1 1 1 VAL HG22 H 1 1.013 0.002 . 2 . . . . . . . . . 6639 1
5 . 1 1 1 1 VAL HG23 H 1 1.013 0.002 . 2 . . . . . . . . . 6639 1
6 . 1 1 2 2 GLY H H 1 8.912 0.002 . 1 . . . . . . . . . 6639 1
7 . 1 1 2 2 GLY HA2 H 1 3.977 0.004 . 2 . . . . . . . . . 6639 1
8 . 1 1 2 2 GLY HA3 H 1 4.101 0.003 . 2 . . . . . . . . . 6639 1
9 . 1 1 3 3 GLU H H 1 8.686 0.002 . 1 . . . . . . . . . 6639 1
10 . 1 1 3 3 GLU HA H 1 4.276 0.007 . 1 . . . . . . . . . 6639 1
11 . 1 1 3 3 GLU HB2 H 1 1.882 0.005 . 2 . . . . . . . . . 6639 1
12 . 1 1 3 3 GLU HB3 H 1 1.967 0.006 . 2 . . . . . . . . . 6639 1
13 . 1 1 3 3 GLU HG2 H 1 2.179 0.003 . 2 . . . . . . . . . 6639 1
14 . 1 1 3 3 GLU HG3 H 1 2.294 0.007 . 2 . . . . . . . . . 6639 1
15 . 1 1 4 4 CYS H H 1 7.753 0.002 . 1 . . . . . . . . . 6639 1
16 . 1 1 4 4 CYS HA H 1 4.417 0.005 . 1 . . . . . . . . . 6639 1
17 . 1 1 4 4 CYS HB2 H 1 2.755 0.005 . 2 . . . . . . . . . 6639 1
18 . 1 1 4 4 CYS HB3 H 1 3.093 0.003 . 2 . . . . . . . . . 6639 1
19 . 1 1 5 5 VAL H H 1 8.343 0.004 . 1 . . . . . . . . . 6639 1
20 . 1 1 5 5 VAL HA H 1 4.083 0.006 . 1 . . . . . . . . . 6639 1
21 . 1 1 5 5 VAL HB H 1 1.863 0.008 . 1 . . . . . . . . . 6639 1
22 . 1 1 5 5 VAL HG11 H 1 0.841 0.004 . 2 . . . . . . . . . 6639 1
23 . 1 1 5 5 VAL HG12 H 1 0.841 0.004 . 2 . . . . . . . . . 6639 1
24 . 1 1 5 5 VAL HG13 H 1 0.841 0.004 . 2 . . . . . . . . . 6639 1
25 . 1 1 6 6 ARG H H 1 9.303 0.006 . 1 . . . . . . . . . 6639 1
26 . 1 1 6 6 ARG HA H 1 3.845 0.004 . 1 . . . . . . . . . 6639 1
27 . 1 1 6 6 ARG HB2 H 1 1.790 0.005 . 2 . . . . . . . . . 6639 1
28 . 1 1 6 6 ARG HB3 H 1 1.883 0.004 . 2 . . . . . . . . . 6639 1
29 . 1 1 6 6 ARG HG2 H 1 1.560 0.007 . 2 . . . . . . . . . 6639 1
30 . 1 1 6 6 ARG HD2 H 1 3.154 0.007 . 2 . . . . . . . . . 6639 1
31 . 1 1 6 6 ARG HH21 H 1 6.691 0.002 . 2 . . . . . . . . . 6639 1
32 . 1 1 6 6 ARG HH22 H 1 7.079 0.002 . 2 . . . . . . . . . 6639 1
33 . 1 1 7 7 GLY H H 1 8.287 0.003 . 1 . . . . . . . . . 6639 1
34 . 1 1 7 7 GLY HA2 H 1 3.692 0.005 . 2 . . . . . . . . . 6639 1
35 . 1 1 7 7 GLY HA3 H 1 4.081 0.004 . 2 . . . . . . . . . 6639 1
36 . 1 1 8 8 ARG H H 1 7.843 0.003 . 1 . . . . . . . . . 6639 1
37 . 1 1 8 8 ARG HA H 1 4.628 0.005 . 1 . . . . . . . . . 6639 1
38 . 1 1 8 8 ARG HB2 H 1 1.816 0.013 . 2 . . . . . . . . . 6639 1
39 . 1 1 8 8 ARG HB3 H 1 1.870 0.004 . 2 . . . . . . . . . 6639 1
40 . 1 1 8 8 ARG HG2 H 1 1.526 0.001 . 2 . . . . . . . . . 6639 1
41 . 1 1 8 8 ARG HG3 H 1 1.614 0.001 . 2 . . . . . . . . . 6639 1
42 . 1 1 8 8 ARG HD2 H 1 3.133 0.005 . 2 . . . . . . . . . 6639 1
43 . 1 1 9 9 CYS H H 1 8.578 0.001 . 1 . . . . . . . . . 6639 1
44 . 1 1 9 9 CYS HA H 1 5.172 0.008 . 1 . . . . . . . . . 6639 1
45 . 1 1 9 9 CYS HB2 H 1 2.253 0.004 . 2 . . . . . . . . . 6639 1
46 . 1 1 9 9 CYS HB3 H 1 2.805 0.006 . 2 . . . . . . . . . 6639 1
47 . 1 1 10 10 PRO HA H 1 4.405 0.004 . 1 . . . . . . . . . 6639 1
48 . 1 1 10 10 PRO HB2 H 1 1.677 0.007 . 2 . . . . . . . . . 6639 1
49 . 1 1 10 10 PRO HB3 H 1 2.346 0.003 . 2 . . . . . . . . . 6639 1
50 . 1 1 10 10 PRO HG2 H 1 1.937 0.008 . 2 . . . . . . . . . 6639 1
51 . 1 1 10 10 PRO HG3 H 1 1.938 0.002 . 2 . . . . . . . . . 6639 1
52 . 1 1 10 10 PRO HD2 H 1 3.424 0.002 . 2 . . . . . . . . . 6639 1
53 . 1 1 10 10 PRO HD3 H 1 3.913 0.005 . 2 . . . . . . . . . 6639 1
54 . 1 1 11 11 SER H H 1 8.311 0.002 . 1 . . . . . . . . . 6639 1
55 . 1 1 11 11 SER HA H 1 4.111 0.004 . 1 . . . . . . . . . 6639 1
56 . 1 1 11 11 SER HB2 H 1 3.793 0.004 . 2 . . . . . . . . . 6639 1
57 . 1 1 12 12 GLY H H 1 8.862 0.003 . 1 . . . . . . . . . 6639 1
58 . 1 1 12 12 GLY HA2 H 1 3.632 0.004 . 2 . . . . . . . . . 6639 1
59 . 1 1 12 12 GLY HA3 H 1 4.187 0.008 . 2 . . . . . . . . . 6639 1
60 . 1 1 13 13 MET H H 1 7.907 0.005 . 1 . . . . . . . . . 6639 1
61 . 1 1 13 13 MET HA H 1 4.630 0.003 . 1 . . . . . . . . . 6639 1
62 . 1 1 13 13 MET HB2 H 1 1.710 0.004 . 2 . . . . . . . . . 6639 1
63 . 1 1 13 13 MET HB3 H 1 1.989 0.002 . 2 . . . . . . . . . 6639 1
64 . 1 1 13 13 MET HG2 H 1 2.295 0.003 . 2 . . . . . . . . . 6639 1
65 . 1 1 14 14 CYS H H 1 9.205 0.003 . 1 . . . . . . . . . 6639 1
66 . 1 1 14 14 CYS HA H 1 4.569 0.003 . 1 . . . . . . . . . 6639 1
67 . 1 1 14 14 CYS HB2 H 1 2.359 0.003 . 2 . . . . . . . . . 6639 1
68 . 1 1 14 14 CYS HB3 H 1 3.798 0.004 . 2 . . . . . . . . . 6639 1
69 . 1 1 15 15 CYS H H 1 8.759 0.003 . 1 . . . . . . . . . 6639 1
70 . 1 1 15 15 CYS HA H 1 4.718 0.004 . 1 . . . . . . . . . 6639 1
71 . 1 1 15 15 CYS HB2 H 1 2.842 0.003 . 2 . . . . . . . . . 6639 1
72 . 1 1 16 16 SER H H 1 9.634 0.002 . 1 . . . . . . . . . 6639 1
73 . 1 1 16 16 SER HA H 1 4.815 0.002 . 1 . . . . . . . . . 6639 1
74 . 1 1 16 16 SER HB2 H 1 4.065 0.004 . 2 . . . . . . . . . 6639 1
75 . 1 1 16 16 SER HB3 H 1 4.200 0.003 . 2 . . . . . . . . . 6639 1
76 . 1 1 17 17 GLN H H 1 8.991 0.001 . 1 . . . . . . . . . 6639 1
77 . 1 1 17 17 GLN HA H 1 3.936 0.003 . 1 . . . . . . . . . 6639 1
78 . 1 1 17 17 GLN HB2 H 1 1.474 0.001 . 2 . . . . . . . . . 6639 1
79 . 1 1 17 17 GLN HB3 H 1 1.642 0.002 . 2 . . . . . . . . . 6639 1
80 . 1 1 17 17 GLN HG2 H 1 1.380 0.005 . 2 . . . . . . . . . 6639 1
81 . 1 1 17 17 GLN HG3 H 1 1.573 0.002 . 2 . . . . . . . . . 6639 1
82 . 1 1 17 17 GLN HE21 H 1 7.591 0.001 . 2 . . . . . . . . . 6639 1
83 . 1 1 17 17 GLN HE22 H 1 7.047 0.001 . 2 . . . . . . . . . 6639 1
84 . 1 1 18 18 TRP H H 1 7.276 0.004 . 1 . . . . . . . . . 6639 1
85 . 1 1 18 18 TRP HA H 1 4.802 0.001 . 1 . . . . . . . . . 6639 1
86 . 1 1 18 18 TRP HB2 H 1 3.153 0.003 . 2 . . . . . . . . . 6639 1
87 . 1 1 18 18 TRP HB3 H 1 3.622 0.004 . 2 . . . . . . . . . 6639 1
88 . 1 1 18 18 TRP HD1 H 1 7.255 0.002 . 1 . . . . . . . . . 6639 1
89 . 1 1 18 18 TRP HE3 H 1 7.644 0.001 . 2 . . . . . . . . . 6639 1
90 . 1 1 18 18 TRP HE1 H 1 10.167 0.001 . 1 . . . . . . . . . 6639 1
91 . 1 1 18 18 TRP HZ3 H 1 7.121 0.000 . 1 . . . . . . . . . 6639 1
92 . 1 1 18 18 TRP HZ2 H 1 7.299 0.004 . 1 . . . . . . . . . 6639 1
93 . 1 1 18 18 TRP HH2 H 1 7.041 0.004 . 1 . . . . . . . . . 6639 1
94 . 1 1 19 19 GLY H H 1 7.792 0.005 . 1 . . . . . . . . . 6639 1
95 . 1 1 19 19 GLY HA2 H 1 3.531 0.008 . 2 . . . . . . . . . 6639 1
96 . 1 1 19 19 GLY HA3 H 1 4.001 0.001 . 2 . . . . . . . . . 6639 1
97 . 1 1 20 20 TYR H H 1 7.391 0.003 . 1 . . . . . . . . . 6639 1
98 . 1 1 20 20 TYR HA H 1 5.025 0.005 . 1 . . . . . . . . . 6639 1
99 . 1 1 20 20 TYR HB2 H 1 2.830 0.003 . 2 . . . . . . . . . 6639 1
100 . 1 1 20 20 TYR HB3 H 1 3.228 0.003 . 2 . . . . . . . . . 6639 1
101 . 1 1 20 20 TYR HD1 H 1 6.846 0.003 . 3 . . . . . . . . . 6639 1
102 . 1 1 20 20 TYR HE1 H 1 6.988 0.003 . 3 . . . . . . . . . 6639 1
103 . 1 1 21 21 CYS H H 1 8.801 0.003 . 1 . . . . . . . . . 6639 1
104 . 1 1 21 21 CYS HA H 1 5.478 0.003 . 1 . . . . . . . . . 6639 1
105 . 1 1 21 21 CYS HB2 H 1 2.771 0.008 . 2 . . . . . . . . . 6639 1
106 . 1 1 22 22 GLY H H 1 8.431 0.004 . 1 . . . . . . . . . 6639 1
107 . 1 1 22 22 GLY HA2 H 1 1.870 0.005 . 2 . . . . . . . . . 6639 1
108 . 1 1 22 22 GLY HA3 H 1 3.644 0.002 . 2 . . . . . . . . . 6639 1
109 . 1 1 23 23 LYS H H 1 8.032 0.002 . 1 . . . . . . . . . 6639 1
110 . 1 1 23 23 LYS HA H 1 4.896 0.004 . 1 . . . . . . . . . 6639 1
111 . 1 1 23 23 LYS HB2 H 1 1.621 0.004 . 2 . . . . . . . . . 6639 1
112 . 1 1 23 23 LYS HB3 H 1 1.831 0.001 . 2 . . . . . . . . . 6639 1
113 . 1 1 23 23 LYS HG2 H 1 1.304 0.001 . 2 . . . . . . . . . 6639 1
114 . 1 1 23 23 LYS HG3 H 1 1.409 0.006 . 2 . . . . . . . . . 6639 1
115 . 1 1 23 23 LYS HD2 H 1 1.629 0.005 . 2 . . . . . . . . . 6639 1
116 . 1 1 23 23 LYS HE2 H 1 2.864 0.005 . 2 . . . . . . . . . 6639 1
117 . 1 1 24 24 GLY H H 1 8.333 0.001 . 1 . . . . . . . . . 6639 1
118 . 1 1 24 24 GLY HA2 H 1 3.936 0.001 . 2 . . . . . . . . . 6639 1
119 . 1 1 24 24 GLY HA3 H 1 4.549 0.002 . 2 . . . . . . . . . 6639 1
120 . 1 1 25 25 PRO HA H 1 4.250 0.005 . 1 . . . . . . . . . 6639 1
121 . 1 1 25 25 PRO HB2 H 1 1.924 0.005 . 2 . . . . . . . . . 6639 1
122 . 1 1 25 25 PRO HB3 H 1 2.262 0.065 . 2 . . . . . . . . . 6639 1
123 . 1 1 25 25 PRO HG2 H 1 2.036 0.006 . 2 . . . . . . . . . 6639 1
124 . 1 1 25 25 PRO HG3 H 1 2.038 0.001 . 2 . . . . . . . . . 6639 1
125 . 1 1 25 25 PRO HD2 H 1 3.620 0.004 . 2 . . . . . . . . . 6639 1
126 . 1 1 25 25 PRO HD3 H 1 3.813 0.002 . 2 . . . . . . . . . 6639 1
127 . 1 1 26 26 LYS H H 1 8.794 0.002 . 1 . . . . . . . . . 6639 1
128 . 1 1 26 26 LYS HA H 1 4.027 0.004 . 1 . . . . . . . . . 6639 1
129 . 1 1 26 26 LYS HB3 H 1 1.809 0.005 . 2 . . . . . . . . . 6639 1
130 . 1 1 26 26 LYS HG2 H 1 1.129 0.031 . 2 . . . . . . . . . 6639 1
131 . 1 1 26 26 LYS HG3 H 1 1.388 0.003 . 2 . . . . . . . . . 6639 1
132 . 1 1 26 26 LYS HD2 H 1 1.600 0.005 . 2 . . . . . . . . . 6639 1
133 . 1 1 26 26 LYS HE2 H 1 2.863 0.004 . 2 . . . . . . . . . 6639 1
134 . 1 1 27 27 TYR H H 1 7.547 0.003 . 1 . . . . . . . . . 6639 1
135 . 1 1 27 27 TYR HA H 1 4.055 0.005 . 1 . . . . . . . . . 6639 1
136 . 1 1 27 27 TYR HB2 H 1 2.504 0.006 . 2 . . . . . . . . . 6639 1
137 . 1 1 27 27 TYR HB3 H 1 2.899 0.002 . 2 . . . . . . . . . 6639 1
138 . 1 1 27 27 TYR HD1 H 1 7.154 0.003 . 2 . . . . . . . . . 6639 1
139 . 1 1 27 27 TYR HE1 H 1 6.714 0.004 . 2 . . . . . . . . . 6639 1
140 . 1 1 28 28 CYS H H 1 8.448 0.003 . 1 . . . . . . . . . 6639 1
141 . 1 1 28 28 CYS HA H 1 4.509 0.006 . 1 . . . . . . . . . 6639 1
142 . 1 1 28 28 CYS HB2 H 1 2.714 0.005 . 2 . . . . . . . . . 6639 1
143 . 1 1 28 28 CYS HB3 H 1 3.200 0.008 . 2 . . . . . . . . . 6639 1
144 . 1 1 29 29 GLY H H 1 7.977 0.004 . 1 . . . . . . . . . 6639 1
145 . 1 1 29 29 GLY HA2 H 1 3.946 0.006 . 2 . . . . . . . . . 6639 1
146 . 1 1 29 29 GLY HA3 H 1 3.985 0.013 . 2 . . . . . . . . . 6639 1
147 . 1 1 30 30 ARG H H 1 8.280 0.005 . 1 . . . . . . . . . 6639 1
148 . 1 1 30 30 ARG HA H 1 4.254 0.002 . 1 . . . . . . . . . 6639 1
149 . 1 1 30 30 ARG HB2 H 1 1.683 0.001 . 2 . . . . . . . . . 6639 1
150 . 1 1 30 30 ARG HB3 H 1 1.846 0.012 . 2 . . . . . . . . . 6639 1
151 . 1 1 30 30 ARG HG2 H 1 1.579 0.010 . 2 . . . . . . . . . 6639 1
152 . 1 1 30 30 ARG HD2 H 1 3.143 0.003 . 2 . . . . . . . . . 6639 1
stop_
save_