###################################
# 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_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25582
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_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
1 '2D 1H-15N HSQC' . . . 25582 1
2 '2D 1H-13C HSQC' . . . 25582 1
3 '2D 1H-13C HSQC aliphatic' . . . 25582 1
5 '2D 1H-1H NOESY' . . . 25582 1
6 '3D HNCO' . . . 25582 1
7 '3D CBCA(CO)NH' . . . 25582 1
8 '3D HNCACB' . . . 25582 1
9 '3D H(CCO)NH' . . . 25582 1
10 '3D HCCH-TOCSY' . . . 25582 1
12 '3D 1H-13C NOESY' . . . 25582 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 3 3 HIS HA H 1 4.409 . . 1 . . . A 3 HIS HA . 25582 1
2 . 1 1 3 3 HIS HB2 H 1 2.898 . . 1 . . . A 3 HIS HB2 . 25582 1
3 . 1 1 3 3 HIS HB3 H 1 3.225 . . 1 . . . A 3 HIS HB3 . 25582 1
4 . 1 1 3 3 HIS HD2 H 1 6.934 . . 1 . . . A 3 HIS HD2 . 25582 1
5 . 1 1 3 3 HIS HE1 H 1 7.854 . . 1 . . . A 3 HIS HE1 . 25582 1
6 . 1 1 3 3 HIS CA C 13 53.098 . . 1 . . . A 3 HIS CA . 25582 1
7 . 1 1 3 3 HIS CB C 13 28.867 . . 1 . . . A 3 HIS CB . 25582 1
8 . 1 1 3 3 HIS CD2 C 13 129.936 . . 1 . . . A 3 HIS CD2 . 25582 1
9 . 1 1 3 3 HIS CE1 C 13 134.632 . . 1 . . . A 3 HIS CE1 . 25582 1
10 . 1 1 4 4 PRO HA H 1 3.972 . . 1 . . . A 4 PRO HA . 25582 1
11 . 1 1 4 4 PRO HB2 H 1 2.153 . . 1 . . . A 4 PRO HB2 . 25582 1
12 . 1 1 4 4 PRO HB3 H 1 2.153 . . 1 . . . A 4 PRO HB3 . 25582 1
13 . 1 1 4 4 PRO HG2 H 1 1.641 . . 1 . . . A 4 PRO HG2 . 25582 1
14 . 1 1 4 4 PRO HG3 H 1 1.641 . . 1 . . . A 4 PRO HG3 . 25582 1
15 . 1 1 4 4 PRO HD2 H 1 1.684 . . 1 . . . A 4 PRO HD2 . 25582 1
16 . 1 1 4 4 PRO HD3 H 1 1.684 . . 1 . . . A 4 PRO HD3 . 25582 1
17 . 1 1 4 4 PRO CA C 13 60.186 . . 1 . . . A 4 PRO CA . 25582 1
18 . 1 1 4 4 PRO CB C 13 29.541 . . 1 . . . A 4 PRO CB . 25582 1
19 . 1 1 4 4 PRO CG C 13 24.437 . . 1 . . . A 4 PRO CG . 25582 1
20 . 1 1 4 4 PRO CD C 13 45.953 . . 1 . . . A 4 PRO CD . 25582 1
21 . 1 1 5 5 GLY H H 1 8.315 . . 1 . . . A 5 GLY H . 25582 1
22 . 1 1 5 5 GLY HA2 H 1 3.691 . . 1 . . . A 5 GLY HA2 . 25582 1
23 . 1 1 5 5 GLY HA3 H 1 3.691 . . 1 . . . A 5 GLY HA3 . 25582 1
24 . 1 1 5 5 GLY C C 13 175.807 . . 1 . . . A 5 GLY C . 25582 1
25 . 1 1 5 5 GLY CA C 13 43.979 . . 1 . . . A 5 GLY CA . 25582 1
26 . 1 1 5 5 GLY N N 15 107.940 . . 1 . . . A 5 GLY N . 25582 1
27 . 1 1 6 6 HIS H H 1 7.457 . . 1 . . . A 6 HIS H . 25582 1
28 . 1 1 6 6 HIS HA H 1 4.511 . . 1 . . . A 6 HIS HA . 25582 1
29 . 1 1 6 6 HIS HB2 H 1 2.795 . . 1 . . . A 6 HIS HB2 . 25582 1
30 . 1 1 6 6 HIS HB3 H 1 3.180 . . 1 . . . A 6 HIS HB3 . 25582 1
31 . 1 1 6 6 HIS HD2 H 1 6.819 . . 1 . . . A 6 HIS HD2 . 25582 1
32 . 1 1 6 6 HIS HE1 H 1 7.584 . . 1 . . . A 6 HIS HE1 . 25582 1
33 . 1 1 6 6 HIS C C 13 171.192 . . 1 . . . A 6 HIS C . 25582 1
34 . 1 1 6 6 HIS CA C 13 53.404 . . 1 . . . A 6 HIS CA . 25582 1
35 . 1 1 6 6 HIS CB C 13 27.292 . . 1 . . . A 6 HIS CB . 25582 1
36 . 1 1 6 6 HIS CD2 C 13 130.501 . . 1 . . . A 6 HIS CD2 . 25582 1
37 . 1 1 6 6 HIS CE1 C 13 136.175 . . 1 . . . A 6 HIS CE1 . 25582 1
38 . 1 1 6 6 HIS N N 15 114.183 . . 1 . . . A 6 HIS N . 25582 1
39 . 1 1 7 7 LEU H H 1 6.540 . . 1 . . . A 7 LEU H . 25582 1
40 . 1 1 7 7 LEU HA H 1 3.903 . . 1 . . . A 7 LEU HA . 25582 1
41 . 1 1 7 7 LEU HB2 H 1 0.575 . . 1 . . . A 7 LEU HB2 . 25582 1
42 . 1 1 7 7 LEU HB3 H 1 1.294 . . 1 . . . A 7 LEU HB3 . 25582 1
43 . 1 1 7 7 LEU HG H 1 0.721 . . 1 . . . A 7 LEU HG . 25582 1
44 . 1 1 7 7 LEU HD11 H 1 0.467 . . 1 . . . A 7 LEU HD11 . 25582 1
45 . 1 1 7 7 LEU HD12 H 1 0.467 . . 1 . . . A 7 LEU HD12 . 25582 1
46 . 1 1 7 7 LEU HD13 H 1 0.467 . . 1 . . . A 7 LEU HD13 . 25582 1
47 . 1 1 7 7 LEU HD21 H 1 0.432 . . 1 . . . A 7 LEU HD21 . 25582 1
48 . 1 1 7 7 LEU HD22 H 1 0.432 . . 1 . . . A 7 LEU HD22 . 25582 1
49 . 1 1 7 7 LEU HD23 H 1 0.432 . . 1 . . . A 7 LEU HD23 . 25582 1
50 . 1 1 7 7 LEU C C 13 172.872 . . 1 . . . A 7 LEU C . 25582 1
51 . 1 1 7 7 LEU CA C 13 51.661 . . 1 . . . A 7 LEU CA . 25582 1
52 . 1 1 7 7 LEU CB C 13 39.808 . . 1 . . . A 7 LEU CB . 25582 1
53 . 1 1 7 7 LEU CG C 13 23.515 . . 1 . . . A 7 LEU CG . 25582 1
54 . 1 1 7 7 LEU CD1 C 13 23.641 . . 1 . . . A 7 LEU CD1 . 25582 1
55 . 1 1 7 7 LEU CD2 C 13 18.553 . . 1 . . . A 7 LEU CD2 . 25582 1
56 . 1 1 7 7 LEU N N 15 121.536 . . 1 . . . A 7 LEU N . 25582 1
57 . 1 1 8 8 LYS H H 1 8.492 . . 1 . . . A 8 LYS H . 25582 1
58 . 1 1 8 8 LYS HA H 1 4.508 . . 1 . . . A 8 LYS HA . 25582 1
59 . 1 1 8 8 LYS HB2 H 1 1.532 . . 1 . . . A 8 LYS HB2 . 25582 1
60 . 1 1 8 8 LYS HB3 H 1 1.637 . . 1 . . . A 8 LYS HB3 . 25582 1
61 . 1 1 8 8 LYS HG2 H 1 1.369 . . 1 . . . A 8 LYS HG2 . 25582 1
62 . 1 1 8 8 LYS HG3 H 1 1.356 . . 1 . . . A 8 LYS HG3 . 25582 1
63 . 1 1 8 8 LYS HD2 H 1 1.613 . . 1 . . . A 8 LYS HD2 . 25582 1
64 . 1 1 8 8 LYS HD3 H 1 1.613 . . 1 . . . A 8 LYS HD3 . 25582 1
65 . 1 1 8 8 LYS HE2 H 1 2.924 . . 1 . . . A 8 LYS HE2 . 25582 1
66 . 1 1 8 8 LYS HE3 H 1 2.944 . . 1 . . . A 8 LYS HE3 . 25582 1
67 . 1 1 8 8 LYS C C 13 172.587 . . 1 . . . A 8 LYS C . 25582 1
68 . 1 1 8 8 LYS CA C 13 51.252 . . 1 . . . A 8 LYS CA . 25582 1
69 . 1 1 8 8 LYS CB C 13 33.375 . . 1 . . . A 8 LYS CB . 25582 1
70 . 1 1 8 8 LYS CG C 13 21.479 . . 1 . . . A 8 LYS CG . 25582 1
71 . 1 1 8 8 LYS CD C 13 25.920 . . 1 . . . A 8 LYS CD . 25582 1
72 . 1 1 8 8 LYS CE C 13 38.986 . . 1 . . . A 8 LYS CE . 25582 1
73 . 1 1 8 8 LYS N N 15 119.261 . . 1 . . . A 8 LYS N . 25582 1
74 . 1 1 9 9 GLY H H 1 8.694 . . 1 . . . A 9 GLY H . 25582 1
75 . 1 1 9 9 GLY HA2 H 1 3.756 . . 1 . . . A 9 GLY HA2 . 25582 1
76 . 1 1 9 9 GLY HA3 H 1 3.756 . . 1 . . . A 9 GLY HA3 . 25582 1
77 . 1 1 9 9 GLY C C 13 174.090 . . 1 . . . A 9 GLY C . 25582 1
78 . 1 1 9 9 GLY CA C 13 43.824 . . 1 . . . A 9 GLY CA . 25582 1
79 . 1 1 9 9 GLY N N 15 112.295 . . 1 . . . A 9 GLY N . 25582 1
80 . 1 1 10 10 ARG H H 1 8.798 . . 1 . . . A 10 ARG H . 25582 1
81 . 1 1 10 10 ARG HA H 1 3.036 . . 1 . . . A 10 ARG HA . 25582 1
82 . 1 1 10 10 ARG HB2 H 1 1.007 . . 1 . . . A 10 ARG HB2 . 25582 1
83 . 1 1 10 10 ARG HB3 H 1 1.239 . . 1 . . . A 10 ARG HB3 . 25582 1
84 . 1 1 10 10 ARG HG2 H 1 0.444 . . 1 . . . A 10 ARG HG2 . 25582 1
85 . 1 1 10 10 ARG HG3 H 1 1.300 . . 1 . . . A 10 ARG HG3 . 25582 1
86 . 1 1 10 10 ARG HD2 H 1 3.000 . . 1 . . . A 10 ARG HD2 . 25582 1
87 . 1 1 10 10 ARG HD3 H 1 3.000 . . 1 . . . A 10 ARG HD3 . 25582 1
88 . 1 1 10 10 ARG C C 13 171.915 . . 1 . . . A 10 ARG C . 25582 1
89 . 1 1 10 10 ARG CA C 13 55.701 . . 1 . . . A 10 ARG CA . 25582 1
90 . 1 1 10 10 ARG CB C 13 26.571 . . 1 . . . A 10 ARG CB . 25582 1
91 . 1 1 10 10 ARG CG C 13 24.450 . . 1 . . . A 10 ARG CG . 25582 1
92 . 1 1 10 10 ARG CD C 13 40.345 . . 1 . . . A 10 ARG CD . 25582 1
93 . 1 1 10 10 ARG N N 15 126.817 . . 1 . . . A 10 ARG N . 25582 1
94 . 1 1 11 11 GLU H H 1 7.453 . . 1 . . . A 11 GLU H . 25582 1
95 . 1 1 11 11 GLU HA H 1 3.640 . . 1 . . . A 11 GLU HA . 25582 1
96 . 1 1 11 11 GLU HB2 H 1 1.884 . . 1 . . . A 11 GLU HB2 . 25582 1
97 . 1 1 11 11 GLU HB3 H 1 1.974 . . 1 . . . A 11 GLU HB3 . 25582 1
98 . 1 1 11 11 GLU HG2 H 1 2.098 . . 1 . . . A 11 GLU HG2 . 25582 1
99 . 1 1 11 11 GLU HG3 H 1 2.365 . . 1 . . . A 11 GLU HG3 . 25582 1
100 . 1 1 11 11 GLU C C 13 173.276 . . 1 . . . A 11 GLU C . 25582 1
101 . 1 1 11 11 GLU CA C 13 55.429 . . 1 . . . A 11 GLU CA . 25582 1
102 . 1 1 11 11 GLU CB C 13 27.765 . . 1 . . . A 11 GLU CB . 25582 1
103 . 1 1 11 11 GLU CG C 13 33.367 . . 1 . . . A 11 GLU CG . 25582 1
104 . 1 1 11 11 GLU N N 15 113.440 . . 1 . . . A 11 GLU N . 25582 1
105 . 1 1 12 12 ILE H H 1 7.499 . . 1 . . . A 12 ILE H . 25582 1
106 . 1 1 12 12 ILE HA H 1 2.869 . . 1 . . . A 12 ILE HA . 25582 1
107 . 1 1 12 12 ILE HB H 1 0.975 . . 1 . . . A 12 ILE HB . 25582 1
108 . 1 1 12 12 ILE HG12 H 1 -0.158 . . 1 . . . A 12 ILE HG12 . 25582 1
109 . 1 1 12 12 ILE HG13 H 1 0.655 . . 1 . . . A 12 ILE HG13 . 25582 1
110 . 1 1 12 12 ILE HG21 H 1 -0.246 . . 1 . . . A 12 ILE HG21 . 25582 1
111 . 1 1 12 12 ILE HG22 H 1 -0.246 . . 1 . . . A 12 ILE HG22 . 25582 1
112 . 1 1 12 12 ILE HG23 H 1 -0.246 . . 1 . . . A 12 ILE HG23 . 25582 1
113 . 1 1 12 12 ILE HD11 H 1 0.067 . . 1 . . . A 12 ILE HD11 . 25582 1
114 . 1 1 12 12 ILE HD12 H 1 0.067 . . 1 . . . A 12 ILE HD12 . 25582 1
115 . 1 1 12 12 ILE HD13 H 1 0.067 . . 1 . . . A 12 ILE HD13 . 25582 1
116 . 1 1 12 12 ILE C C 13 176.838 . . 1 . . . A 12 ILE C . 25582 1
117 . 1 1 12 12 ILE CA C 13 62.604 . . 1 . . . A 12 ILE CA . 25582 1
118 . 1 1 12 12 ILE CB C 13 34.803 . . 1 . . . A 12 ILE CB . 25582 1
119 . 1 1 12 12 ILE CG1 C 13 25.819 . . 1 . . . A 12 ILE CG1 . 25582 1
120 . 1 1 12 12 ILE CG2 C 13 12.553 . . 1 . . . A 12 ILE CG2 . 25582 1
121 . 1 1 12 12 ILE CD1 C 13 10.092 . . 1 . . . A 12 ILE CD1 . 25582 1
122 . 1 1 12 12 ILE N N 15 118.236 . . 1 . . . A 12 ILE N . 25582 1
123 . 1 1 13 13 GLY H H 1 6.135 . . 1 . . . A 13 GLY H . 25582 1
124 . 1 1 13 13 GLY HA2 H 1 4.366 . . 1 . . . A 13 GLY HA2 . 25582 1
125 . 1 1 13 13 GLY HA3 H 1 4.348 . . 1 . . . A 13 GLY HA3 . 25582 1
126 . 1 1 13 13 GLY C C 13 174.111 . . 1 . . . A 13 GLY C . 25582 1
127 . 1 1 13 13 GLY CA C 13 45.606 . . 1 . . . A 13 GLY CA . 25582 1
128 . 1 1 13 13 GLY N N 15 104.389 . . 1 . . . A 13 GLY N . 25582 1
129 . 1 1 14 14 MET H H 1 7.977 . . 1 . . . A 14 MET H . 25582 1
130 . 1 1 14 14 MET HA H 1 3.952 . . 1 . . . A 14 MET HA . 25582 1
131 . 1 1 14 14 MET HB2 H 1 1.647 . . 1 . . . A 14 MET HB2 . 25582 1
132 . 1 1 14 14 MET HB3 H 1 2.166 . . 1 . . . A 14 MET HB3 . 25582 1
133 . 1 1 14 14 MET HG2 H 1 1.858 . . 1 . . . A 14 MET HG2 . 25582 1
134 . 1 1 14 14 MET HG3 H 1 2.537 . . 1 . . . A 14 MET HG3 . 25582 1
135 . 1 1 14 14 MET HE1 H 1 1.703 . . 1 . . . A 14 MET HE1 . 25582 1
136 . 1 1 14 14 MET HE2 H 1 1.703 . . 1 . . . A 14 MET HE2 . 25582 1
137 . 1 1 14 14 MET HE3 H 1 1.703 . . 1 . . . A 14 MET HE3 . 25582 1
138 . 1 1 14 14 MET CA C 13 53.002 . . 1 . . . A 14 MET CA . 25582 1
139 . 1 1 14 14 MET CB C 13 30.242 . . 1 . . . A 14 MET CB . 25582 1
140 . 1 1 14 14 MET CG C 13 30.178 . . 1 . . . A 14 MET CG . 25582 1
141 . 1 1 14 14 MET CE C 13 15.852 . . 1 . . . A 14 MET CE . 25582 1
142 . 1 1 14 14 MET N N 15 114.865 . . 1 . . . A 14 MET N . 25582 1
143 . 1 1 15 15 TRP H H 1 7.489 . . 1 . . . A 15 TRP H . 25582 1
144 . 1 1 15 15 TRP HA H 1 3.725 . . 1 . . . A 15 TRP HA . 25582 1
145 . 1 1 15 15 TRP HB2 H 1 2.698 . . 1 . . . A 15 TRP HB2 . 25582 1
146 . 1 1 15 15 TRP HB3 H 1 2.950 . . 1 . . . A 15 TRP HB3 . 25582 1
147 . 1 1 15 15 TRP HE1 H 1 10.107 . . 1 . . . A 15 TRP HE1 . 25582 1
148 . 1 1 15 15 TRP HE3 H 1 6.857 . . 1 . . . A 15 TRP HE3 . 25582 1
149 . 1 1 15 15 TRP HZ2 H 1 7.221 . . 1 . . . A 15 TRP HZ2 . 25582 1
150 . 1 1 15 15 TRP HZ3 H 1 6.377 . . 1 . . . A 15 TRP HZ3 . 25582 1
151 . 1 1 15 15 TRP HH2 H 1 6.834 . . 1 . . . A 15 TRP HH2 . 25582 1
152 . 1 1 15 15 TRP C C 13 175.377 . . 1 . . . A 15 TRP C . 25582 1
153 . 1 1 15 15 TRP CA C 13 59.311 . . 1 . . . A 15 TRP CA . 25582 1
154 . 1 1 15 15 TRP CB C 13 25.410 . . 1 . . . A 15 TRP CB . 25582 1
155 . 1 1 15 15 TRP CE3 C 13 115.069 . . 1 . . . A 15 TRP CE3 . 25582 1
156 . 1 1 15 15 TRP CZ2 C 13 111.157 . . 1 . . . A 15 TRP CZ2 . 25582 1
157 . 1 1 15 15 TRP CZ3 C 13 119.615 . . 1 . . . A 15 TRP CZ3 . 25582 1
158 . 1 1 15 15 TRP CH2 C 13 120.991 . . 1 . . . A 15 TRP CH2 . 25582 1
159 . 1 1 15 15 TRP N N 15 122.784 . . 1 . . . A 15 TRP N . 25582 1
160 . 1 1 16 16 TYR HE1 H 1 6.655 . . 1 . . . A 16 TYR HE1 . 25582 1
161 . 1 1 16 16 TYR HE2 H 1 6.655 . . 1 . . . A 16 TYR HE2 . 25582 1
162 . 1 1 16 16 TYR CE1 C 13 116.525 . . 1 . . . A 16 TYR CE1 . 25582 1
163 . 1 1 16 16 TYR CE2 C 13 116.525 . . 1 . . . A 16 TYR CE2 . 25582 1
164 . 1 1 17 17 ALA HA H 1 3.773 . . 1 . . . A 17 ALA HA . 25582 1
165 . 1 1 17 17 ALA HB1 H 1 0.696 . . 1 . . . A 17 ALA HB1 . 25582 1
166 . 1 1 17 17 ALA HB2 H 1 0.696 . . 1 . . . A 17 ALA HB2 . 25582 1
167 . 1 1 17 17 ALA HB3 H 1 0.696 . . 1 . . . A 17 ALA HB3 . 25582 1
168 . 1 1 17 17 ALA CA C 13 51.092 . . 1 . . . A 17 ALA CA . 25582 1
169 . 1 1 17 17 ALA CB C 13 15.083 . . 1 . . . A 17 ALA CB . 25582 1
170 . 1 1 18 18 LYS H H 1 7.246 . . 1 . . . A 18 LYS H . 25582 1
171 . 1 1 18 18 LYS HA H 1 4.002 . . 1 . . . A 18 LYS HA . 25582 1
172 . 1 1 18 18 LYS HB2 H 1 1.583 . . 1 . . . A 18 LYS HB2 . 25582 1
173 . 1 1 18 18 LYS HB3 H 1 1.583 . . 1 . . . A 18 LYS HB3 . 25582 1
174 . 1 1 18 18 LYS HG2 H 1 1.261 . . 1 . . . A 18 LYS HG2 . 25582 1
175 . 1 1 18 18 LYS HG3 H 1 1.261 . . 1 . . . A 18 LYS HG3 . 25582 1
176 . 1 1 18 18 LYS HD2 H 1 1.569 . . 1 . . . A 18 LYS HD2 . 25582 1
177 . 1 1 18 18 LYS HD3 H 1 1.569 . . 1 . . . A 18 LYS HD3 . 25582 1
178 . 1 1 18 18 LYS HE2 H 1 2.687 . . 1 . . . A 18 LYS HE2 . 25582 1
179 . 1 1 18 18 LYS HE3 H 1 2.687 . . 1 . . . A 18 LYS HE3 . 25582 1
180 . 1 1 18 18 LYS C C 13 175.108 . . 1 . . . A 18 LYS C . 25582 1
181 . 1 1 18 18 LYS CA C 13 52.995 . . 1 . . . A 18 LYS CA . 25582 1
182 . 1 1 18 18 LYS CB C 13 28.686 . . 1 . . . A 18 LYS CB . 25582 1
183 . 1 1 18 18 LYS CG C 13 21.532 . . 1 . . . A 18 LYS CG . 25582 1
184 . 1 1 18 18 LYS CD C 13 25.826 . . 1 . . . A 18 LYS CD . 25582 1
185 . 1 1 18 18 LYS CE C 13 38.913 . . 1 . . . A 18 LYS CE . 25582 1
186 . 1 1 18 18 LYS N N 15 115.668 . . 1 . . . A 18 LYS N . 25582 1
187 . 1 1 19 19 LYS H H 1 7.841 . . 1 . . . A 19 LYS H . 25582 1
188 . 1 1 19 19 LYS HA H 1 3.858 . . 1 . . . A 19 LYS HA . 25582 1
189 . 1 1 19 19 LYS HB2 H 1 1.542 . . 1 . . . A 19 LYS HB2 . 25582 1
190 . 1 1 19 19 LYS HB3 H 1 1.542 . . 1 . . . A 19 LYS HB3 . 25582 1
191 . 1 1 19 19 LYS HG2 H 1 1.215 . . 1 . . . A 19 LYS HG2 . 25582 1
192 . 1 1 19 19 LYS HG3 H 1 1.215 . . 1 . . . A 19 LYS HG3 . 25582 1
193 . 1 1 19 19 LYS HD2 H 1 1.483 . . 1 . . . A 19 LYS HD2 . 25582 1
194 . 1 1 19 19 LYS HD3 H 1 1.483 . . 1 . . . A 19 LYS HD3 . 25582 1
195 . 1 1 19 19 LYS HE2 H 1 2.807 . . 1 . . . A 19 LYS HE2 . 25582 1
196 . 1 1 19 19 LYS HE3 H 1 2.807 . . 1 . . . A 19 LYS HE3 . 25582 1
197 . 1 1 19 19 LYS C C 13 172.881 . . 1 . . . A 19 LYS C . 25582 1
198 . 1 1 19 19 LYS CA C 13 53.325 . . 1 . . . A 19 LYS CA . 25582 1
199 . 1 1 19 19 LYS CB C 13 29.238 . . 1 . . . A 19 LYS CB . 25582 1
200 . 1 1 19 19 LYS CG C 13 21.511 . . 1 . . . A 19 LYS CG . 25582 1
201 . 1 1 19 19 LYS CD C 13 25.398 . . 1 . . . A 19 LYS CD . 25582 1
202 . 1 1 19 19 LYS CE C 13 39.354 . . 1 . . . A 19 LYS CE . 25582 1
203 . 1 1 19 19 LYS N N 15 121.064 . . 1 . . . A 19 LYS N . 25582 1
204 . 1 1 20 20 GLN H H 1 7.699 . . 1 . . . A 20 GLN H . 25582 1
205 . 1 1 20 20 GLN HA H 1 3.935 . . 1 . . . A 20 GLN HA . 25582 1
206 . 1 1 20 20 GLN C C 13 172.759 . . 1 . . . A 20 GLN C . 25582 1
207 . 1 1 20 20 GLN CA C 13 53.213 . . 1 . . . A 20 GLN CA . 25582 1
208 . 1 1 20 20 GLN CB C 13 26.879 . . 1 . . . A 20 GLN CB . 25582 1
209 . 1 1 20 20 GLN N N 15 125.683 . . 1 . . . A 20 GLN N . 25582 1
stop_
save_