###################################
# 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 19581
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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-1H COSY' 1 $sample_1 . 19581 1
2 '2D 1H-1H TOCSY' 1 $sample_1 . 19581 1
3 '2D 1H-1H NOESY' 1 $sample_1 . 19581 1
4 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19581 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 LYS HA H 1 3.60 0.01 . 1 . . . A 1 LYS HA . 19581 1
2 . 1 1 1 1 LYS HB2 H 1 1.67 0.01 . 2 . . . A 1 LYS HB2 . 19581 1
3 . 1 1 1 1 LYS HB3 H 1 1.94 0.01 . 2 . . . A 1 LYS HB3 . 19581 1
4 . 1 1 1 1 LYS HG2 H 1 1.53 0.01 . 2 . . . A 1 LYS HG2 . 19581 1
5 . 1 1 1 1 LYS HG3 H 1 1.58 0.01 . 2 . . . A 1 LYS HG3 . 19581 1
6 . 1 1 1 1 LYS HD2 H 1 1.76 0.01 . 2 . . . A 1 LYS HD2 . 19581 1
7 . 1 1 1 1 LYS HD3 H 1 1.76 0.01 . 2 . . . A 1 LYS HD3 . 19581 1
8 . 1 1 1 1 LYS HE2 H 1 3.06 0.01 . 2 . . . A 1 LYS HE2 . 19581 1
9 . 1 1 1 1 LYS HE3 H 1 3.06 0.01 . 2 . . . A 1 LYS HE3 . 19581 1
10 . 1 1 1 1 LYS CA C 13 57.0 0.10 . 1 . . . A 1 LYS CA . 19581 1
11 . 1 1 1 1 LYS CB C 13 35.9 0.10 . 1 . . . A 1 LYS CB . 19581 1
12 . 1 1 1 1 LYS CG C 13 25.1 0.10 . 1 . . . A 1 LYS CG . 19581 1
13 . 1 1 1 1 LYS CD C 13 29.4 0.10 . 1 . . . A 1 LYS CD . 19581 1
14 . 1 1 1 1 LYS CE C 13 42.2 0.10 . 1 . . . A 1 LYS CE . 19581 1
15 . 1 1 2 2 LYS HA H 1 4.21 0.01 . 1 . . . A 2 LYS HA . 19581 1
16 . 1 1 2 2 LYS HB2 H 1 1.90 0.01 . 2 . . . A 2 LYS HB2 . 19581 1
17 . 1 1 2 2 LYS HB3 H 1 1.90 0.01 . 2 . . . A 2 LYS HB3 . 19581 1
18 . 1 1 2 2 LYS HD2 H 1 1.77 0.01 . 2 . . . A 2 LYS HD2 . 19581 1
19 . 1 1 2 2 LYS HD3 H 1 1.77 0.01 . 2 . . . A 2 LYS HD3 . 19581 1
20 . 1 1 2 2 LYS HE2 H 1 3.03 0.01 . 2 . . . A 2 LYS HE2 . 19581 1
21 . 1 1 2 2 LYS HE3 H 1 3.03 0.01 . 2 . . . A 2 LYS HE3 . 19581 1
22 . 1 1 2 2 LYS CA C 13 58.8 0.10 . 1 . . . A 2 LYS CA . 19581 1
23 . 1 1 2 2 LYS CB C 13 33.1 0.10 . 1 . . . A 2 LYS CB . 19581 1
24 . 1 1 3 3 LYS H H 1 8.17 0.01 . 1 . . . A 3 LYS H . 19581 1
25 . 1 1 3 3 LYS HA H 1 4.09 0.01 . 1 . . . A 3 LYS HA . 19581 1
26 . 1 1 3 3 LYS HB2 H 1 1.82 0.01 . 2 . . . A 3 LYS HB2 . 19581 1
27 . 1 1 3 3 LYS HB3 H 1 1.82 0.01 . 2 . . . A 3 LYS HB3 . 19581 1
28 . 1 1 3 3 LYS HG2 H 1 1.49 0.01 . 2 . . . A 3 LYS HG2 . 19581 1
29 . 1 1 3 3 LYS HG3 H 1 1.56 0.01 . 2 . . . A 3 LYS HG3 . 19581 1
30 . 1 1 3 3 LYS HD2 H 1 1.76 0.01 . 2 . . . A 3 LYS HD2 . 19581 1
31 . 1 1 3 3 LYS HD3 H 1 1.76 0.01 . 2 . . . A 3 LYS HD3 . 19581 1
32 . 1 1 3 3 LYS HE2 H 1 3.03 0.01 . 2 . . . A 3 LYS HE2 . 19581 1
33 . 1 1 3 3 LYS HE3 H 1 3.03 0.01 . 2 . . . A 3 LYS HE3 . 19581 1
34 . 1 1 3 3 LYS CA C 13 59.1 0.10 . 1 . . . A 3 LYS CA . 19581 1
35 . 1 1 3 3 LYS CB C 13 32.7 0.10 . 1 . . . A 3 LYS CB . 19581 1
36 . 1 1 3 3 LYS CG C 13 25.3 0.10 . 1 . . . A 3 LYS CG . 19581 1
37 . 1 1 3 3 LYS CE C 13 42.1 0.10 . 1 . . . A 3 LYS CE . 19581 1
38 . 1 1 4 4 LEU H H 1 7.21 0.01 . 1 . . . A 4 LEU H . 19581 1
39 . 1 1 4 4 LEU HA H 1 4.29 0.01 . 1 . . . A 4 LEU HA . 19581 1
40 . 1 1 4 4 LEU HB2 H 1 1.65 0.01 . 2 . . . A 4 LEU HB2 . 19581 1
41 . 1 1 4 4 LEU HB3 H 1 1.75 0.01 . 2 . . . A 4 LEU HB3 . 19581 1
42 . 1 1 4 4 LEU HG H 1 1.66 0.01 . 1 . . . A 4 LEU HG . 19581 1
43 . 1 1 4 4 LEU HD11 H 1 0.99 0.01 . 2 . . . A 4 LEU HD11 . 19581 1
44 . 1 1 4 4 LEU HD12 H 1 0.99 0.01 . 2 . . . A 4 LEU HD12 . 19581 1
45 . 1 1 4 4 LEU HD13 H 1 0.99 0.01 . 2 . . . A 4 LEU HD13 . 19581 1
46 . 1 1 4 4 LEU HD21 H 1 0.92 0.01 . 2 . . . A 4 LEU HD21 . 19581 1
47 . 1 1 4 4 LEU HD22 H 1 0.92 0.01 . 2 . . . A 4 LEU HD22 . 19581 1
48 . 1 1 4 4 LEU HD23 H 1 0.92 0.01 . 2 . . . A 4 LEU HD23 . 19581 1
49 . 1 1 4 4 LEU CA C 13 57.4 0.10 . 1 . . . A 4 LEU CA . 19581 1
50 . 1 1 4 4 LEU CB C 13 42.3 0.10 . 1 . . . A 4 LEU CB . 19581 1
51 . 1 1 4 4 LEU CG C 13 27.1 0.10 . 1 . . . A 4 LEU CG . 19581 1
52 . 1 1 4 4 LEU CD1 C 13 23.0 0.10 . 1 . . . A 4 LEU CD1 . 19581 1
53 . 1 1 4 4 LEU CD2 C 13 24.3 0.10 . 1 . . . A 4 LEU CD2 . 19581 1
54 . 1 1 5 5 PHE H H 1 7.67 0.01 . 1 . . . A 5 PHE H . 19581 1
55 . 1 1 5 5 PHE HA H 1 4.29 0.01 . 1 . . . A 5 PHE HA . 19581 1
56 . 1 1 5 5 PHE HB2 H 1 3.20 0.01 . 2 . . . A 5 PHE HB2 . 19581 1
57 . 1 1 5 5 PHE HB3 H 1 3.26 0.01 . 2 . . . A 5 PHE HB3 . 19581 1
58 . 1 1 5 5 PHE HD1 H 1 7.18 0.01 . 3 . . . A 5 PHE HD1 . 19581 1
59 . 1 1 5 5 PHE HD2 H 1 7.18 0.01 . 3 . . . A 5 PHE HD2 . 19581 1
60 . 1 1 5 5 PHE HE1 H 1 7.28 0.01 . 3 . . . A 5 PHE HE1 . 19581 1
61 . 1 1 5 5 PHE HE2 H 1 7.28 0.01 . 3 . . . A 5 PHE HE2 . 19581 1
62 . 1 1 5 5 PHE HZ H 1 7.24 0.01 . 1 . . . A 5 PHE HZ . 19581 1
63 . 1 1 5 5 PHE CA C 13 61.3 0.10 . 1 . . . A 5 PHE CA . 19581 1
64 . 1 1 5 5 PHE CB C 13 38.9 0.10 . 1 . . . A 5 PHE CB . 19581 1
65 . 1 1 6 6 ILE H H 1 7.79 0.01 . 1 . . . A 6 ILE H . 19581 1
66 . 1 1 6 6 ILE HA H 1 3.72 0.01 . 1 . . . A 6 ILE HA . 19581 1
67 . 1 1 6 6 ILE HB H 1 1.97 0.01 . 1 . . . A 6 ILE HB . 19581 1
68 . 1 1 6 6 ILE HG12 H 1 1.34 0.01 . 2 . . . A 6 ILE HG12 . 19581 1
69 . 1 1 6 6 ILE HG13 H 1 1.74 0.01 . 2 . . . A 6 ILE HG13 . 19581 1
70 . 1 1 6 6 ILE HG21 H 1 0.97 0.01 . 1 . . . A 6 ILE HG21 . 19581 1
71 . 1 1 6 6 ILE HG22 H 1 0.97 0.01 . 1 . . . A 6 ILE HG22 . 19581 1
72 . 1 1 6 6 ILE HG23 H 1 0.97 0.01 . 1 . . . A 6 ILE HG23 . 19581 1
73 . 1 1 6 6 ILE HD11 H 1 0.92 0.01 . 1 . . . A 6 ILE HD11 . 19581 1
74 . 1 1 6 6 ILE HD12 H 1 0.92 0.01 . 1 . . . A 6 ILE HD12 . 19581 1
75 . 1 1 6 6 ILE HD13 H 1 0.92 0.01 . 1 . . . A 6 ILE HD13 . 19581 1
76 . 1 1 6 6 ILE CA C 13 64.4 0.10 . 1 . . . A 6 ILE CA . 19581 1
77 . 1 1 6 6 ILE CB C 13 38.0 0.10 . 1 . . . A 6 ILE CB . 19581 1
78 . 1 1 6 6 ILE CG1 C 13 28.5 0.10 . 1 . . . A 6 ILE CG1 . 19581 1
79 . 1 1 6 6 ILE CG2 C 13 16.7 0.10 . 1 . . . A 6 ILE CG2 . 19581 1
80 . 1 1 6 6 ILE CD1 C 13 12.1 0.10 . 1 . . . A 6 ILE CD1 . 19581 1
81 . 1 1 7 7 MET H H 1 7.80 0.01 . 1 . . . A 7 MET H . 19581 1
82 . 1 1 7 7 MET HA H 1 4.17 0.01 . 1 . . . A 7 MET HA . 19581 1
83 . 1 1 7 7 MET HB2 H 1 2.23 0.01 . 2 . . . A 7 MET HB2 . 19581 1
84 . 1 1 7 7 MET HB3 H 1 2.37 0.01 . 2 . . . A 7 MET HB3 . 19581 1
85 . 1 1 7 7 MET HG2 H 1 2.59 0.01 . 2 . . . A 7 MET HG2 . 19581 1
86 . 1 1 7 7 MET HG3 H 1 2.78 0.01 . 2 . . . A 7 MET HG3 . 19581 1
87 . 1 1 7 7 MET HE1 H 1 2.09 0.01 . 1 . . . A 7 MET HE1 . 19581 1
88 . 1 1 7 7 MET HE2 H 1 2.09 0.01 . 1 . . . A 7 MET HE2 . 19581 1
89 . 1 1 7 7 MET HE3 H 1 2.09 0.01 . 1 . . . A 7 MET HE3 . 19581 1
90 . 1 1 7 7 MET CA C 13 58.7 0.10 . 1 . . . A 7 MET CA . 19581 1
91 . 1 1 7 7 MET CB C 13 32.5 0.10 . 1 . . . A 7 MET CB . 19581 1
92 . 1 1 7 7 MET CG C 13 31.9 0.10 . 1 . . . A 7 MET CG . 19581 1
93 . 1 1 7 7 MET CE C 13 15.8 0.10 . 1 . . . A 7 MET CE . 19581 1
94 . 1 1 8 8 ILE H H 1 8.19 0.01 . 1 . . . A 8 ILE H . 19581 1
95 . 1 1 8 8 ILE HA H 1 3.83 0.01 . 1 . . . A 8 ILE HA . 19581 1
96 . 1 1 8 8 ILE HB H 1 1.98 0.01 . 1 . . . A 8 ILE HB . 19581 1
97 . 1 1 8 8 ILE HG12 H 1 1.15 0.01 . 2 . . . A 8 ILE HG12 . 19581 1
98 . 1 1 8 8 ILE HG13 H 1 1.80 0.01 . 2 . . . A 8 ILE HG13 . 19581 1
99 . 1 1 8 8 ILE HG21 H 1 0.91 0.01 . 1 . . . A 8 ILE HG21 . 19581 1
100 . 1 1 8 8 ILE HG22 H 1 0.91 0.01 . 1 . . . A 8 ILE HG22 . 19581 1
101 . 1 1 8 8 ILE HG23 H 1 0.91 0.01 . 1 . . . A 8 ILE HG23 . 19581 1
102 . 1 1 8 8 ILE HD11 H 1 0.88 0.01 . 1 . . . A 8 ILE HD11 . 19581 1
103 . 1 1 8 8 ILE HD12 H 1 0.88 0.01 . 1 . . . A 8 ILE HD12 . 19581 1
104 . 1 1 8 8 ILE HD13 H 1 0.88 0.01 . 1 . . . A 8 ILE HD13 . 19581 1
105 . 1 1 8 8 ILE CA C 13 65.1 0.10 . 1 . . . A 8 ILE CA . 19581 1
106 . 1 1 8 8 ILE CB C 13 38.4 0.10 . 1 . . . A 8 ILE CB . 19581 1
107 . 1 1 8 8 ILE CG1 C 13 28.5 0.10 . 1 . . . A 8 ILE CG1 . 19581 1
108 . 1 1 8 8 ILE CG2 C 13 15.9 0.10 . 1 . . . A 8 ILE CG2 . 19581 1
109 . 1 1 8 8 ILE CD1 C 13 12.1 0.10 . 1 . . . A 8 ILE CD1 . 19581 1
110 . 1 1 9 9 VAL H H 1 8.35 0.01 . 1 . . . A 9 VAL H . 19581 1
111 . 1 1 9 9 VAL HA H 1 3.64 0.01 . 1 . . . A 9 VAL HA . 19581 1
112 . 1 1 9 9 VAL HB H 1 1.89 0.01 . 1 . . . A 9 VAL HB . 19581 1
113 . 1 1 9 9 VAL HG11 H 1 0.85 0.01 . 2 . . . A 9 VAL HG11 . 19581 1
114 . 1 1 9 9 VAL HG12 H 1 0.85 0.01 . 2 . . . A 9 VAL HG12 . 19581 1
115 . 1 1 9 9 VAL HG13 H 1 0.85 0.01 . 2 . . . A 9 VAL HG13 . 19581 1
116 . 1 1 9 9 VAL HG21 H 1 0.77 0.01 . 2 . . . A 9 VAL HG21 . 19581 1
117 . 1 1 9 9 VAL HG22 H 1 0.77 0.01 . 2 . . . A 9 VAL HG22 . 19581 1
118 . 1 1 9 9 VAL HG23 H 1 0.77 0.01 . 2 . . . A 9 VAL HG23 . 19581 1
119 . 1 1 9 9 VAL CA C 13 67.0 0.10 . 1 . . . A 9 VAL CA . 19581 1
120 . 1 1 9 9 VAL CB C 13 31.5 0.10 . 1 . . . A 9 VAL CB . 19581 1
121 . 1 1 9 9 VAL CG1 C 13 20.4 0.10 . 1 . . . A 9 VAL CG1 . 19581 1
122 . 1 1 9 9 VAL CG2 C 13 21.8 0.10 . 1 . . . A 9 VAL CG2 . 19581 1
123 . 1 1 10 10 GLY H H 1 8.37 0.01 . 1 . . . A 10 GLY H . 19581 1
124 . 1 1 10 10 GLY HA2 H 1 3.83 0.01 . 2 . . . A 10 GLY HA2 . 19581 1
125 . 1 1 10 10 GLY HA3 H 1 3.90 0.01 . 2 . . . A 10 GLY HA3 . 19581 1
126 . 1 1 10 10 GLY CA C 13 46.9 0.10 . 1 . . . A 10 GLY CA . 19581 1
127 . 1 1 11 11 GLY H H 1 7.80 0.01 . 1 . . . A 11 GLY H . 19581 1
128 . 1 1 11 11 GLY HA2 H 1 3.94 0.01 . 2 . . . A 11 GLY HA2 . 19581 1
129 . 1 1 11 11 GLY HA3 H 1 4.01 0.01 . 2 . . . A 11 GLY HA3 . 19581 1
130 . 1 1 11 11 GLY CA C 13 46.3 0.10 . 1 . . . A 11 GLY CA . 19581 1
131 . 1 1 12 12 LEU H H 1 8.07 0.01 . 1 . . . A 12 LEU H . 19581 1
132 . 1 1 12 12 LEU HA H 1 4.26 0.01 . 1 . . . A 12 LEU HA . 19581 1
133 . 1 1 12 12 LEU HB2 H 1 1.59 0.01 . 2 . . . A 12 LEU HB2 . 19581 1
134 . 1 1 12 12 LEU HB3 H 1 2.04 0.01 . 2 . . . A 12 LEU HB3 . 19581 1
135 . 1 1 12 12 LEU HG H 1 1.87 0.01 . 1 . . . A 12 LEU HG . 19581 1
136 . 1 1 12 12 LEU HD11 H 1 0.88 0.01 . 2 . . . A 12 LEU HD11 . 19581 1
137 . 1 1 12 12 LEU HD12 H 1 0.88 0.01 . 2 . . . A 12 LEU HD12 . 19581 1
138 . 1 1 12 12 LEU HD13 H 1 0.88 0.01 . 2 . . . A 12 LEU HD13 . 19581 1
139 . 1 1 12 12 LEU HD21 H 1 0.91 0.01 . 2 . . . A 12 LEU HD21 . 19581 1
140 . 1 1 12 12 LEU HD22 H 1 0.91 0.01 . 2 . . . A 12 LEU HD22 . 19581 1
141 . 1 1 12 12 LEU HD23 H 1 0.91 0.01 . 2 . . . A 12 LEU HD23 . 19581 1
142 . 1 1 12 12 LEU CA C 13 57.8 0.10 . 1 . . . A 12 LEU CA . 19581 1
143 . 1 1 12 12 LEU CB C 13 42.1 0.10 . 1 . . . A 12 LEU CB . 19581 1
144 . 1 1 12 12 LEU CG C 13 26.7 0.10 . 1 . . . A 12 LEU CG . 19581 1
145 . 1 1 12 12 LEU CD1 C 13 22.0 0.10 . 1 . . . A 12 LEU CD1 . 19581 1
146 . 1 1 12 12 LEU CD2 C 13 24.2 0.10 . 1 . . . A 12 LEU CD2 . 19581 1
147 . 1 1 13 13 VAL H H 1 8.45 0.01 . 1 . . . A 13 VAL H . 19581 1
148 . 1 1 13 13 VAL HA H 1 3.70 0.01 . 1 . . . A 13 VAL HA . 19581 1
149 . 1 1 13 13 VAL HB H 1 2.19 0.01 . 1 . . . A 13 VAL HB . 19581 1
150 . 1 1 13 13 VAL HG11 H 1 0.99 0.01 . 2 . . . A 13 VAL HG11 . 19581 1
151 . 1 1 13 13 VAL HG12 H 1 0.99 0.01 . 2 . . . A 13 VAL HG12 . 19581 1
152 . 1 1 13 13 VAL HG13 H 1 0.99 0.01 . 2 . . . A 13 VAL HG13 . 19581 1
153 . 1 1 13 13 VAL HG21 H 1 1.07 0.01 . 2 . . . A 13 VAL HG21 . 19581 1
154 . 1 1 13 13 VAL HG22 H 1 1.07 0.01 . 2 . . . A 13 VAL HG22 . 19581 1
155 . 1 1 13 13 VAL HG23 H 1 1.07 0.01 . 2 . . . A 13 VAL HG23 . 19581 1
156 . 1 1 13 13 VAL CA C 13 66.7 0.10 . 1 . . . A 13 VAL CA . 19581 1
157 . 1 1 13 13 VAL CB C 13 31.9 0.10 . 1 . . . A 13 VAL CB . 19581 1
158 . 1 1 13 13 VAL CG1 C 13 20.4 0.10 . 1 . . . A 13 VAL CG1 . 19581 1
159 . 1 1 13 13 VAL CG2 C 13 21.8 0.10 . 1 . . . A 13 VAL CG2 . 19581 1
160 . 1 1 14 14 GLY H H 1 7.90 0.01 . 1 . . . A 14 GLY H . 19581 1
161 . 1 1 14 14 GLY HA2 H 1 3.88 0.01 . 2 . . . A 14 GLY HA2 . 19581 1
162 . 1 1 14 14 GLY HA3 H 1 3.88 0.01 . 2 . . . A 14 GLY HA3 . 19581 1
163 . 1 1 14 14 GLY CA C 13 47.0 0.10 . 1 . . . A 14 GLY CA . 19581 1
164 . 1 1 15 15 LEU H H 1 7.80 0.01 . 1 . . . A 15 LEU H . 19581 1
165 . 1 1 15 15 LEU HA H 1 4.12 0.01 . 1 . . . A 15 LEU HA . 19581 1
166 . 1 1 15 15 LEU HB2 H 1 1.63 0.01 . 2 . . . A 15 LEU HB2 . 19581 1
167 . 1 1 15 15 LEU HB3 H 1 1.83 0.01 . 2 . . . A 15 LEU HB3 . 19581 1
168 . 1 1 15 15 LEU HG H 1 1.73 0.01 . 1 . . . A 15 LEU HG . 19581 1
169 . 1 1 15 15 LEU HD11 H 1 0.88 0.01 . 2 . . . A 15 LEU HD11 . 19581 1
170 . 1 1 15 15 LEU HD12 H 1 0.88 0.01 . 2 . . . A 15 LEU HD12 . 19581 1
171 . 1 1 15 15 LEU HD13 H 1 0.88 0.01 . 2 . . . A 15 LEU HD13 . 19581 1
172 . 1 1 15 15 LEU HD21 H 1 0.92 0.01 . 2 . . . A 15 LEU HD21 . 19581 1
173 . 1 1 15 15 LEU HD22 H 1 0.92 0.01 . 2 . . . A 15 LEU HD22 . 19581 1
174 . 1 1 15 15 LEU HD23 H 1 0.92 0.01 . 2 . . . A 15 LEU HD23 . 19581 1
175 . 1 1 15 15 LEU CA C 13 57.7 0.10 . 1 . . . A 15 LEU CA . 19581 1
176 . 1 1 15 15 LEU CB C 13 42.0 0.10 . 1 . . . A 15 LEU CB . 19581 1
177 . 1 1 15 15 LEU CG C 13 26.7 0.10 . 1 . . . A 15 LEU CG . 19581 1
178 . 1 1 15 15 LEU CD1 C 13 22.7 0.10 . 1 . . . A 15 LEU CD1 . 19581 1
179 . 1 1 15 15 LEU CD2 C 13 23.7 0.10 . 1 . . . A 15 LEU CD2 . 19581 1
180 . 1 1 16 16 ARG H H 1 7.75 0.01 . 1 . . . A 16 ARG H . 19581 1
181 . 1 1 16 16 ARG HA H 1 4.11 0.01 . 1 . . . A 16 ARG HA . 19581 1
182 . 1 1 16 16 ARG HB2 H 1 2.09 0.01 . 2 . . . A 16 ARG HB2 . 19581 1
183 . 1 1 16 16 ARG HB3 H 1 2.14 0.01 . 2 . . . A 16 ARG HB3 . 19581 1
184 . 1 1 16 16 ARG HG2 H 1 1.81 0.01 . 2 . . . A 16 ARG HG2 . 19581 1
185 . 1 1 16 16 ARG HG3 H 1 1.93 0.01 . 2 . . . A 16 ARG HG3 . 19581 1
186 . 1 1 16 16 ARG HD2 H 1 3.21 0.01 . 2 . . . A 16 ARG HD2 . 19581 1
187 . 1 1 16 16 ARG HD3 H 1 3.26 0.01 . 2 . . . A 16 ARG HD3 . 19581 1
188 . 1 1 16 16 ARG HE H 1 7.10 0.01 . 1 . . . A 16 ARG HE . 19581 1
189 . 1 1 16 16 ARG CA C 13 59.2 0.10 . 1 . . . A 16 ARG CA . 19581 1
190 . 1 1 16 16 ARG CB C 13 29.4 0.10 . 1 . . . A 16 ARG CB . 19581 1
191 . 1 1 16 16 ARG CG C 13 27.3 0.10 . 1 . . . A 16 ARG CG . 19581 1
192 . 1 1 16 16 ARG CD C 13 43.2 0.10 . 1 . . . A 16 ARG CD . 19581 1
193 . 1 1 17 17 ILE H H 1 7.91 0.01 . 1 . . . A 17 ILE H . 19581 1
194 . 1 1 17 17 ILE HA H 1 3.87 0.01 . 1 . . . A 17 ILE HA . 19581 1
195 . 1 1 17 17 ILE HB H 1 2.14 0.01 . 1 . . . A 17 ILE HB . 19581 1
196 . 1 1 17 17 ILE HG12 H 1 1.18 0.01 . 2 . . . A 17 ILE HG12 . 19581 1
197 . 1 1 17 17 ILE HG13 H 1 1.80 0.01 . 2 . . . A 17 ILE HG13 . 19581 1
198 . 1 1 17 17 ILE HG21 H 1 0.97 0.01 . 1 . . . A 17 ILE HG21 . 19581 1
199 . 1 1 17 17 ILE HG22 H 1 0.97 0.01 . 1 . . . A 17 ILE HG22 . 19581 1
200 . 1 1 17 17 ILE HG23 H 1 0.97 0.01 . 1 . . . A 17 ILE HG23 . 19581 1
201 . 1 1 17 17 ILE HD11 H 1 0.89 0.01 . 1 . . . A 17 ILE HD11 . 19581 1
202 . 1 1 17 17 ILE HD12 H 1 0.89 0.01 . 1 . . . A 17 ILE HD12 . 19581 1
203 . 1 1 17 17 ILE HD13 H 1 0.89 0.01 . 1 . . . A 17 ILE HD13 . 19581 1
204 . 1 1 17 17 ILE CA C 13 65.0 0.10 . 1 . . . A 17 ILE CA . 19581 1
205 . 1 1 17 17 ILE CB C 13 37.9 0.10 . 1 . . . A 17 ILE CB . 19581 1
206 . 1 1 17 17 ILE CG1 C 13 28.5 0.10 . 1 . . . A 17 ILE CG1 . 19581 1
207 . 1 1 17 17 ILE CG2 C 13 16.3 0.10 . 1 . . . A 17 ILE CG2 . 19581 1
208 . 1 1 18 18 VAL H H 1 8.03 0.01 . 1 . . . A 18 VAL H . 19581 1
209 . 1 1 18 18 VAL HA H 1 3.56 0.01 . 1 . . . A 18 VAL HA . 19581 1
210 . 1 1 18 18 VAL HB H 1 2.19 0.01 . 1 . . . A 18 VAL HB . 19581 1
211 . 1 1 18 18 VAL HG11 H 1 0.90 0.01 . 2 . . . A 18 VAL HG11 . 19581 1
212 . 1 1 18 18 VAL HG12 H 1 0.90 0.01 . 2 . . . A 18 VAL HG12 . 19581 1
213 . 1 1 18 18 VAL HG13 H 1 0.90 0.01 . 2 . . . A 18 VAL HG13 . 19581 1
214 . 1 1 18 18 VAL HG21 H 1 1.07 0.01 . 2 . . . A 18 VAL HG21 . 19581 1
215 . 1 1 18 18 VAL HG22 H 1 1.07 0.01 . 2 . . . A 18 VAL HG22 . 19581 1
216 . 1 1 18 18 VAL HG23 H 1 1.07 0.01 . 2 . . . A 18 VAL HG23 . 19581 1
217 . 1 1 18 18 VAL CA C 13 67.5 0.10 . 1 . . . A 18 VAL CA . 19581 1
218 . 1 1 18 18 VAL CB C 13 31.6 0.10 . 1 . . . A 18 VAL CB . 19581 1
219 . 1 1 18 18 VAL CG1 C 13 20.2 0.10 . 1 . . . A 18 VAL CG1 . 19581 1
220 . 1 1 18 18 VAL CG2 C 13 22.0 0.10 . 1 . . . A 18 VAL CG2 . 19581 1
221 . 1 1 19 19 PHE H H 1 8.37 0.01 . 1 . . . A 19 PHE H . 19581 1
222 . 1 1 19 19 PHE HA H 1 4.34 0.01 . 1 . . . A 19 PHE HA . 19581 1
223 . 1 1 19 19 PHE HB2 H 1 3.24 0.01 . 2 . . . A 19 PHE HB2 . 19581 1
224 . 1 1 19 19 PHE HB3 H 1 3.24 0.01 . 2 . . . A 19 PHE HB3 . 19581 1
225 . 1 1 19 19 PHE HD1 H 1 7.25 0.01 . 3 . . . A 19 PHE HD1 . 19581 1
226 . 1 1 19 19 PHE HD2 H 1 7.25 0.01 . 3 . . . A 19 PHE HD2 . 19581 1
227 . 1 1 19 19 PHE HE1 H 1 7.27 0.01 . 3 . . . A 19 PHE HE1 . 19581 1
228 . 1 1 19 19 PHE HE2 H 1 7.27 0.01 . 3 . . . A 19 PHE HE2 . 19581 1
229 . 1 1 19 19 PHE CA C 13 61.0 0.10 . 1 . . . A 19 PHE CA . 19581 1
230 . 1 1 19 19 PHE CB C 13 38.4 0.10 . 1 . . . A 19 PHE CB . 19581 1
231 . 1 1 20 20 ALA H H 1 8.19 0.01 . 1 . . . A 20 ALA H . 19581 1
232 . 1 1 20 20 ALA HA H 1 4.15 0.01 . 1 . . . A 20 ALA HA . 19581 1
233 . 1 1 20 20 ALA HB1 H 1 1.69 0.01 . 1 . . . A 20 ALA HB1 . 19581 1
234 . 1 1 20 20 ALA HB2 H 1 1.69 0.01 . 1 . . . A 20 ALA HB2 . 19581 1
235 . 1 1 20 20 ALA HB3 H 1 1.69 0.01 . 1 . . . A 20 ALA HB3 . 19581 1
236 . 1 1 20 20 ALA CA C 13 55.9 0.10 . 1 . . . A 20 ALA CA . 19581 1
237 . 1 1 20 20 ALA CB C 13 17.4 0.10 . 1 . . . A 20 ALA CB . 19581 1
238 . 1 1 21 21 VAL H H 1 8.69 0.01 . 1 . . . A 21 VAL H . 19581 1
239 . 1 1 21 21 VAL HA H 1 3.63 0.01 . 1 . . . A 21 VAL HA . 19581 1
240 . 1 1 21 21 VAL HB H 1 2.29 0.01 . 1 . . . A 21 VAL HB . 19581 1
241 . 1 1 21 21 VAL HG11 H 1 0.96 0.01 . 2 . . . A 21 VAL HG11 . 19581 1
242 . 1 1 21 21 VAL HG12 H 1 0.96 0.01 . 2 . . . A 21 VAL HG12 . 19581 1
243 . 1 1 21 21 VAL HG13 H 1 0.96 0.01 . 2 . . . A 21 VAL HG13 . 19581 1
244 . 1 1 21 21 VAL HG21 H 1 1.12 0.01 . 2 . . . A 21 VAL HG21 . 19581 1
245 . 1 1 21 21 VAL HG22 H 1 1.12 0.01 . 2 . . . A 21 VAL HG22 . 19581 1
246 . 1 1 21 21 VAL HG23 H 1 1.12 0.01 . 2 . . . A 21 VAL HG23 . 19581 1
247 . 1 1 21 21 VAL CA C 13 67.3 0.10 . 1 . . . A 21 VAL CA . 19581 1
248 . 1 1 21 21 VAL CB C 13 31.7 0.10 . 1 . . . A 21 VAL CB . 19581 1
249 . 1 1 21 21 VAL CG1 C 13 20.5 0.10 . 1 . . . A 21 VAL CG1 . 19581 1
250 . 1 1 21 21 VAL CG2 C 13 21.8 0.10 . 1 . . . A 21 VAL CG2 . 19581 1
251 . 1 1 22 22 LEU H H 1 8.91 0.01 . 1 . . . A 22 LEU H . 19581 1
252 . 1 1 22 22 LEU HA H 1 4.05 0.01 . 1 . . . A 22 LEU HA . 19581 1
253 . 1 1 22 22 LEU HB2 H 1 1.46 0.01 . 2 . . . A 22 LEU HB2 . 19581 1
254 . 1 1 22 22 LEU HB3 H 1 1.94 0.01 . 2 . . . A 22 LEU HB3 . 19581 1
255 . 1 1 22 22 LEU HG H 1 1.94 0.01 . 1 . . . A 22 LEU HG . 19581 1
256 . 1 1 22 22 LEU HD11 H 1 0.86 0.01 . 2 . . . A 22 LEU HD11 . 19581 1
257 . 1 1 22 22 LEU HD12 H 1 0.86 0.01 . 2 . . . A 22 LEU HD12 . 19581 1
258 . 1 1 22 22 LEU HD13 H 1 0.86 0.01 . 2 . . . A 22 LEU HD13 . 19581 1
259 . 1 1 22 22 LEU HD21 H 1 0.85 0.01 . 2 . . . A 22 LEU HD21 . 19581 1
260 . 1 1 22 22 LEU HD22 H 1 0.85 0.01 . 2 . . . A 22 LEU HD22 . 19581 1
261 . 1 1 22 22 LEU HD23 H 1 0.85 0.01 . 2 . . . A 22 LEU HD23 . 19581 1
262 . 1 1 22 22 LEU CA C 13 58.4 0.10 . 1 . . . A 22 LEU CA . 19581 1
263 . 1 1 22 22 LEU CB C 13 41.7 0.10 . 1 . . . A 22 LEU CB . 19581 1
264 . 1 1 22 22 LEU CG C 13 26.6 0.10 . 1 . . . A 22 LEU CG . 19581 1
265 . 1 1 22 22 LEU CD1 C 13 21.8 0.10 . 1 . . . A 22 LEU CD1 . 19581 1
266 . 1 1 22 22 LEU CD2 C 13 24.5 0.10 . 1 . . . A 22 LEU CD2 . 19581 1
267 . 1 1 23 23 SER H H 1 8.07 0.01 . 1 . . . A 23 SER H . 19581 1
268 . 1 1 23 23 SER HA H 1 4.13 0.01 . 1 . . . A 23 SER HA . 19581 1
269 . 1 1 23 23 SER HB2 H 1 3.86 0.01 . 2 . . . A 23 SER HB2 . 19581 1
270 . 1 1 23 23 SER HB3 H 1 4.16 0.01 . 2 . . . A 23 SER HB3 . 19581 1
271 . 1 1 23 23 SER CA C 13 62.5 0.10 . 1 . . . A 23 SER CA . 19581 1
272 . 1 1 23 23 SER CB C 13 62.7 0.10 . 1 . . . A 23 SER CB . 19581 1
273 . 1 1 24 24 ILE H H 1 8.10 0.01 . 1 . . . A 24 ILE H . 19581 1
274 . 1 1 24 24 ILE HA H 1 3.83 0.01 . 1 . . . A 24 ILE HA . 19581 1
275 . 1 1 24 24 ILE HB H 1 2.09 0.01 . 1 . . . A 24 ILE HB . 19581 1
276 . 1 1 24 24 ILE HG12 H 1 1.16 0.01 . 2 . . . A 24 ILE HG12 . 19581 1
277 . 1 1 24 24 ILE HG13 H 1 1.85 0.01 . 2 . . . A 24 ILE HG13 . 19581 1
278 . 1 1 24 24 ILE HG21 H 1 0.97 0.01 . 1 . . . A 24 ILE HG21 . 19581 1
279 . 1 1 24 24 ILE HG22 H 1 0.97 0.01 . 1 . . . A 24 ILE HG22 . 19581 1
280 . 1 1 24 24 ILE HG23 H 1 0.97 0.01 . 1 . . . A 24 ILE HG23 . 19581 1
281 . 1 1 24 24 ILE HD11 H 1 0.90 0.01 . 1 . . . A 24 ILE HD11 . 19581 1
282 . 1 1 24 24 ILE HD12 H 1 0.90 0.01 . 1 . . . A 24 ILE HD12 . 19581 1
283 . 1 1 24 24 ILE HD13 H 1 0.90 0.01 . 1 . . . A 24 ILE HD13 . 19581 1
284 . 1 1 24 24 ILE CA C 13 64.9 0.10 . 1 . . . A 24 ILE CA . 19581 1
285 . 1 1 24 24 ILE CB C 13 38.3 0.10 . 1 . . . A 24 ILE CB . 19581 1
286 . 1 1 24 24 ILE CG1 C 13 28.8 0.10 . 1 . . . A 24 ILE CG1 . 19581 1
287 . 1 1 25 25 LYS H H 1 8.54 0.01 . 1 . . . A 25 LYS H . 19581 1
288 . 1 1 25 25 LYS HA H 1 4.12 0.01 . 1 . . . A 25 LYS HA . 19581 1
289 . 1 1 25 25 LYS HB2 H 1 1.96 0.01 . 2 . . . A 25 LYS HB2 . 19581 1
290 . 1 1 25 25 LYS HB3 H 1 2.05 0.01 . 2 . . . A 25 LYS HB3 . 19581 1
291 . 1 1 25 25 LYS HG2 H 1 1.58 0.01 . 2 . . . A 25 LYS HG2 . 19581 1
292 . 1 1 25 25 LYS HG3 H 1 1.63 0.01 . 2 . . . A 25 LYS HG3 . 19581 1
293 . 1 1 25 25 LYS HD2 H 1 1.71 0.01 . 2 . . . A 25 LYS HD2 . 19581 1
294 . 1 1 25 25 LYS HD3 H 1 1.71 0.01 . 2 . . . A 25 LYS HD3 . 19581 1
295 . 1 1 25 25 LYS HE2 H 1 2.96 0.01 . 2 . . . A 25 LYS HE2 . 19581 1
296 . 1 1 25 25 LYS HE3 H 1 2.96 0.01 . 2 . . . A 25 LYS HE3 . 19581 1
297 . 1 1 25 25 LYS CA C 13 58.6 0.10 . 1 . . . A 25 LYS CA . 19581 1
298 . 1 1 25 25 LYS CB C 13 32.0 0.10 . 1 . . . A 25 LYS CB . 19581 1
299 . 1 1 25 25 LYS CG C 13 24.8 0.10 . 1 . . . A 25 LYS CG . 19581 1
300 . 1 1 25 25 LYS CD C 13 28.8 0.10 . 1 . . . A 25 LYS CD . 19581 1
301 . 1 1 25 25 LYS CE C 13 42.0 0.10 . 1 . . . A 25 LYS CE . 19581 1
302 . 1 1 26 26 LYS H H 1 8.35 0.01 . 1 . . . A 26 LYS H . 19581 1
303 . 1 1 26 26 LYS HA H 1 4.20 0.01 . 1 . . . A 26 LYS HA . 19581 1
304 . 1 1 26 26 LYS HB2 H 1 1.99 0.01 . 2 . . . A 26 LYS HB2 . 19581 1
305 . 1 1 26 26 LYS HB3 H 1 1.99 0.01 . 2 . . . A 26 LYS HB3 . 19581 1
306 . 1 1 26 26 LYS HG2 H 1 1.58 0.01 . 2 . . . A 26 LYS HG2 . 19581 1
307 . 1 1 26 26 LYS HG3 H 1 1.58 0.01 . 2 . . . A 26 LYS HG3 . 19581 1
308 . 1 1 26 26 LYS HD2 H 1 1.75 0.01 . 2 . . . A 26 LYS HD2 . 19581 1
309 . 1 1 26 26 LYS HD3 H 1 1.75 0.01 . 2 . . . A 26 LYS HD3 . 19581 1
310 . 1 1 26 26 LYS CA C 13 57.8 0.10 . 1 . . . A 26 LYS CA . 19581 1
311 . 1 1 26 26 LYS CB C 13 32.4 0.10 . 1 . . . A 26 LYS CB . 19581 1
312 . 1 1 26 26 LYS CG C 13 24.8 0.10 . 1 . . . A 26 LYS CG . 19581 1
313 . 1 1 27 27 LYS H H 1 7.85 0.01 . 1 . . . A 27 LYS H . 19581 1
314 . 1 1 27 27 LYS HA H 1 4.21 0.01 . 1 . . . A 27 LYS HA . 19581 1
315 . 1 1 27 27 LYS HB2 H 1 2.01 0.01 . 2 . . . A 27 LYS HB2 . 19581 1
316 . 1 1 27 27 LYS HB3 H 1 2.01 0.01 . 2 . . . A 27 LYS HB3 . 19581 1
317 . 1 1 27 27 LYS HG2 H 1 1.58 0.01 . 2 . . . A 27 LYS HG2 . 19581 1
318 . 1 1 27 27 LYS HG3 H 1 1.65 0.01 . 2 . . . A 27 LYS HG3 . 19581 1
319 . 1 1 27 27 LYS HD2 H 1 1.76 0.01 . 2 . . . A 27 LYS HD2 . 19581 1
320 . 1 1 27 27 LYS HD3 H 1 1.76 0.01 . 2 . . . A 27 LYS HD3 . 19581 1
321 . 1 1 27 27 LYS HE2 H 1 3.06 0.01 . 2 . . . A 27 LYS HE2 . 19581 1
322 . 1 1 27 27 LYS HE3 H 1 3.06 0.01 . 2 . . . A 27 LYS HE3 . 19581 1
323 . 1 1 27 27 LYS CA C 13 57.3 0.10 . 1 . . . A 27 LYS CA . 19581 1
324 . 1 1 27 27 LYS CB C 13 32.7 0.10 . 1 . . . A 27 LYS CB . 19581 1
325 . 1 1 27 27 LYS CD C 13 29.0 0.10 . 1 . . . A 27 LYS CD . 19581 1
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