###################################
# 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 17966
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 '3D 1H-15N TOCSY' . . . 17966 1
2 '3D 1H-15N NOESY' . . . 17966 1
4 '3D HNCACB' . . . 17966 1
5 '3D HNCA' . . . 17966 1
6 '3D CBCA(CO)NH' . . . 17966 1
7 '3D C(CO)NH' . . . 17966 1
8 '3D 1H-13C NOESY' . . . 17966 1
9 '3D 1H-13C NOESY' . . . 17966 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 GLY HA2 H 1 3.710 0.05 . 2 . . . . 1 GLY HA1 . 17966 1
2 . 1 1 1 1 GLY HA3 H 1 3.172 0.05 . 2 . . . . 1 GLY HA2 . 17966 1
3 . 1 1 1 1 GLY CA C 13 45.926 0.3 . 1 . . . . 1 GLY CA . 17966 1
4 . 1 1 2 2 HIS HB2 H 1 3.091 0.05 . 2 . . . . 2 HIS HB1 . 17966 1
5 . 1 1 2 2 HIS HD2 H 1 6.990 0.05 . 4 . . . . 2 HIS HD2 . 17966 1
6 . 1 1 3 3 SER HA H 1 4.484 0.05 . 1 . . . . 3 SER HA . 17966 1
7 . 1 1 3 3 SER HB2 H 1 3.870 0.05 . 2 . . . . 3 SER HB1 . 17966 1
8 . 1 1 3 3 SER CA C 13 58.294 0.3 . 1 . . . . 3 SER CA . 17966 1
9 . 1 1 3 3 SER CB C 13 63.759 0.3 . 1 . . . . 3 SER CB . 17966 1
10 . 1 1 4 4 LEU H H 1 8.732 0.05 . 1 . . . . 4 LEU HN . 17966 1
11 . 1 1 4 4 LEU HA H 1 4.606 0.05 . 1 . . . . 4 LEU HA . 17966 1
12 . 1 1 4 4 LEU HB2 H 1 1.675 0.05 . 2 . . . . 4 LEU HB2 . 17966 1
13 . 1 1 4 4 LEU HD11 H 1 0.906 0.05 . 2 . . . . 4 LEU HD11 . 17966 1
14 . 1 1 4 4 LEU HD12 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1
15 . 1 1 4 4 LEU HD13 H 1 0.906 0.05 . 2 . . . . 4 LEU HD13 . 17966 1
16 . 1 1 4 4 LEU CA C 13 53.405 0.3 . 1 . . . . 4 LEU CA . 17966 1
17 . 1 1 4 4 LEU CB C 13 41.900 0.3 . 1 . . . . 4 LEU CB . 17966 1
18 . 1 1 4 4 LEU CD1 C 13 23.200 0.3 . 1 . . . . 4 LEU CD1 . 17966 1
19 . 1 1 4 4 LEU N N 15 124.335 0.3 . 1 . . . . 4 LEU N . 17966 1
20 . 1 1 5 5 PRO HA H 1 4.530 0.05 . 1 . . . . 5 PRO HA . 17966 1
21 . 1 1 5 5 PRO HB2 H 1 2.502 0.05 . 2 . . . . 5 PRO HB1 . 17966 1
22 . 1 1 5 5 PRO HB3 H 1 1.903 0.05 . 2 . . . . 5 PRO HB2 . 17966 1
23 . 1 1 5 5 PRO HG2 H 1 2.116 0.05 . 2 . . . . 5 PRO HG1 . 17966 1
24 . 1 1 5 5 PRO HD2 H 1 4.051 0.05 . 2 . . . . 5 PRO HD1 . 17966 1
25 . 1 1 5 5 PRO HD3 H 1 3.453 0.05 . 2 . . . . 5 PRO HD2 . 17966 1
26 . 1 1 5 5 PRO CA C 13 62.836 0.3 . 1 . . . . 5 PRO CA . 17966 1
27 . 1 1 5 5 PRO CB C 13 31.773 0.3 . 1 . . . . 5 PRO CB . 17966 1
28 . 1 1 5 5 PRO CG C 13 27.746 0.3 . 1 . . . . 5 PRO CG . 17966 1
29 . 1 1 5 5 PRO CD C 13 50.181 0.3 . 1 . . . . 5 PRO CD . 17966 1
30 . 1 1 6 6 PHE HA H 1 4.204 0.05 . 1 . . . . 6 PHE HA . 17966 1
31 . 1 1 6 6 PHE HB2 H 1 3.388 0.05 . 2 . . . . 6 PHE HB1 . 17966 1
32 . 1 1 6 6 PHE HB3 H 1 3.111 0.05 . 2 . . . . 6 PHE HB2 . 17966 1
33 . 1 1 6 6 PHE HD1 H 1 7.279 0.05 . 3 . . . . 6 PHE HD1 . 17966 1
34 . 1 1 6 6 PHE HE1 H 1 7.208 0.05 . 3 . . . . 6 PHE HE1 . 17966 1
35 . 1 1 6 6 PHE HZ H 1 7.091 0.05 . 1 . . . . 6 PHE HZ . 17966 1
36 . 1 1 6 6 PHE CA C 13 61.398 0.3 . 1 . . . . 6 PHE CA . 17966 1
37 . 1 1 6 6 PHE CB C 13 38.964 0.3 . 1 . . . . 6 PHE CB . 17966 1
38 . 1 1 6 6 PHE CD1 C 13 132.150 0.3 . 3 . . . . 6 PHE CD1 . 17966 1
39 . 1 1 6 6 PHE CE1 C 13 130.712 0.3 . 3 . . . . 6 PHE CE1 . 17966 1
40 . 1 1 6 6 PHE CZ C 13 128.698 0.3 . 1 . . . . 6 PHE CZ . 17966 1
41 . 1 1 7 7 LYS H H 1 8.995 0.05 . 1 . . . . 7 LYS HN . 17966 1
42 . 1 1 7 7 LYS HA H 1 3.704 0.05 . 1 . . . . 7 LYS HA . 17966 1
43 . 1 1 7 7 LYS HB2 H 1 1.929 0.05 . 2 . . . . 7 LYS HB1 . 17966 1
44 . 1 1 7 7 LYS HB3 H 1 1.797 0.05 . 2 . . . . 7 LYS HB2 . 17966 1
45 . 1 1 7 7 LYS HG2 H 1 1.550 0.05 . 2 . . . . 7 LYS HG1 . 17966 1
46 . 1 1 7 7 LYS HE2 H 1 2.913 0.05 . 2 . . . . 7 LYS HE1 . 17966 1
47 . 1 1 7 7 LYS CA C 13 60.247 0.3 . 1 . . . . 7 LYS CA . 17966 1
48 . 1 1 7 7 LYS CB C 13 32.636 0.3 . 1 . . . . 7 LYS CB . 17966 1
49 . 1 1 7 7 LYS CG C 13 25.793 0.3 . 1 . . . . 7 LYS CG . 17966 1
50 . 1 1 7 7 LYS CD C 13 29.897 0.3 . 1 . . . . 7 LYS CD . 17966 1
51 . 1 1 7 7 LYS CE C 13 41.552 0.3 . 1 . . . . 7 LYS CE . 17966 1
52 . 1 1 7 7 LYS N N 15 116.488 0.3 . 1 . . . . 7 LYS N . 17966 1
53 . 1 1 8 8 VAL H H 1 7.413 0.05 . 1 . . . . 8 VAL HN . 17966 1
54 . 1 1 8 8 VAL HA H 1 3.413 0.05 . 1 . . . . 8 VAL HA . 17966 1
55 . 1 1 8 8 VAL HB H 1 2.150 0.05 . 1 . . . . 8 VAL HB . 17966 1
56 . 1 1 8 8 VAL HG21 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1
57 . 1 1 8 8 VAL HG22 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1
58 . 1 1 8 8 VAL HG23 H 1 1.032 0.05 . 2 . . . . 8 VAL HG21 . 17966 1
59 . 1 1 8 8 VAL CA C 13 67.500 0.3 . 1 . . . . 8 VAL CA . 17966 1
60 . 1 1 8 8 VAL CB C 13 32.652 0.3 . 1 . . . . 8 VAL CB . 17966 1
61 . 1 1 8 8 VAL CG1 C 13 23.200 0.3 . 1 . . . . 8 VAL CG1 . 17966 1
62 . 1 1 8 8 VAL CG2 C 13 21.700 0.3 . 1 . . . . 8 VAL CG2 . 17966 1
63 . 1 1 8 8 VAL N N 15 115.625 0.3 . 1 . . . . 8 VAL N . 17966 1
64 . 1 1 9 9 VAL H H 1 7.356 0.05 . 1 . . . . 9 VAL HN . 17966 1
65 . 1 1 9 9 VAL HA H 1 3.396 0.05 . 1 . . . . 9 VAL HA . 17966 1
66 . 1 1 9 9 VAL HB H 1 2.156 0.05 . 1 . . . . 9 VAL HB . 17966 1
67 . 1 1 9 9 VAL HG21 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1
68 . 1 1 9 9 VAL HG22 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1
69 . 1 1 9 9 VAL HG23 H 1 0.974 0.05 . 2 . . . . 9 VAL HG21 . 17966 1
70 . 1 1 9 9 VAL CA C 13 66.863 0.3 . 1 . . . . 9 VAL CA . 17966 1
71 . 1 1 9 9 VAL CB C 13 30.910 0.3 . 1 . . . . 9 VAL CB . 17966 1
72 . 1 1 9 9 VAL CG1 C 13 23.144 0.3 . 1 . . . . 9 VAL CG1 . 17966 1
73 . 1 1 9 9 VAL CG2 C 13 21.675 0.3 . 2 . . . . 9 VAL CG2 . 17966 1
74 . 1 1 9 9 VAL N N 15 115.588 0.3 . 1 . . . . 9 VAL N . 17966 1
75 . 1 1 10 10 VAL H H 1 7.732 0.05 . 1 . . . . 10 VAL HN . 17966 1
76 . 1 1 10 10 VAL HA H 1 3.361 0.05 . 1 . . . . 10 VAL HA . 17966 1
77 . 1 1 10 10 VAL HB H 1 1.830 0.05 . 1 . . . . 10 VAL HB . 17966 1
78 . 1 1 10 10 VAL HG11 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1
79 . 1 1 10 10 VAL HG12 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1
80 . 1 1 10 10 VAL HG13 H 1 0.828 0.05 . 2 . . . . 10 VAL HG11 . 17966 1
81 . 1 1 10 10 VAL HG21 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1
82 . 1 1 10 10 VAL HG22 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1
83 . 1 1 10 10 VAL HG23 H 1 0.505 0.05 . 2 . . . . 10 VAL HG21 . 17966 1
84 . 1 1 10 10 VAL CA C 13 66.863 0.3 . 1 . . . . 10 VAL CA . 17966 1
85 . 1 1 10 10 VAL CB C 13 31.198 0.3 . 1 . . . . 10 VAL CB . 17966 1
86 . 1 1 10 10 VAL CG1 C 13 21.419 0.3 . 1 . . . . 10 VAL CG1 . 17966 1
87 . 1 1 10 10 VAL CG2 C 13 23.100 0.3 . 1 . . . . 10 VAL CG2 . 17966 1
88 . 1 1 10 10 VAL N N 15 122.762 0.3 . 1 . . . . 10 VAL N . 17966 1
89 . 1 1 11 11 ILE H H 1 7.887 0.05 . 1 . . . . 11 ILE HN . 17966 1
90 . 1 1 11 11 ILE HA H 1 3.566 0.05 . 1 . . . . 11 ILE HA . 17966 1
91 . 1 1 11 11 ILE HB H 1 1.830 0.05 . 1 . . . . 11 ILE HB . 17966 1
92 . 1 1 11 11 ILE HG12 H 1 1.830 0.05 . 1 . . . . 11 ILE HG11 . 17966 1
93 . 1 1 11 11 ILE HG13 H 1 1.113 0.05 . 1 . . . . 11 ILE HG12 . 17966 1
94 . 1 1 11 11 ILE HG21 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1
95 . 1 1 11 11 ILE HG22 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1
96 . 1 1 11 11 ILE HG23 H 1 0.830 0.05 . 1 . . . . 11 ILE HG21 . 17966 1
97 . 1 1 11 11 ILE HD11 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1
98 . 1 1 11 11 ILE HD12 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1
99 . 1 1 11 11 ILE HD13 H 1 0.770 0.05 . 1 . . . . 11 ILE HD11 . 17966 1
100 . 1 1 11 11 ILE CA C 13 65.385 0.3 . 1 . . . . 11 ILE CA . 17966 1
101 . 1 1 11 11 ILE CB C 13 37.474 0.3 . 1 . . . . 11 ILE CB . 17966 1
102 . 1 1 11 11 ILE CG1 C 13 29.857 0.3 . 1 . . . . 11 ILE CG1 . 17966 1
103 . 1 1 11 11 ILE CG2 C 13 17.680 0.3 . 1 . . . . 11 ILE CG2 . 17966 1
104 . 1 1 11 11 ILE CD1 C 13 13.583 0.3 . 1 . . . . 11 ILE CD1 . 17966 1
105 . 1 1 11 11 ILE N N 15 117.481 0.3 . 1 . . . . 11 ILE N . 17966 1
106 . 1 1 12 12 SER H H 1 8.090 0.05 . 1 . . . . 12 SER HN . 17966 1
107 . 1 1 12 12 SER HA H 1 3.963 0.05 . 1 . . . . 12 SER HA . 17966 1
108 . 1 1 12 12 SER HB2 H 1 3.954 0.05 . 2 . . . . 12 SER HB1 . 17966 1
109 . 1 1 12 12 SER HB3 H 1 3.582 0.05 . 2 . . . . 12 SER HB2 . 17966 1
110 . 1 1 12 12 SER CA C 13 63.699 0.3 . 1 . . . . 12 SER CA . 17966 1
111 . 1 1 12 12 SER CB C 13 62.836 0.3 . 1 . . . . 12 SER CB . 17966 1
112 . 1 1 12 12 SER N N 15 115.516 0.3 . 1 . . . . 12 SER N . 17966 1
113 . 1 1 13 13 ALA H H 1 8.122 0.05 . 1 . . . . 13 ALA HN . 17966 1
114 . 1 1 13 13 ALA HA H 1 3.902 0.05 . 1 . . . . 13 ALA HA . 17966 1
115 . 1 1 13 13 ALA HB1 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1
116 . 1 1 13 13 ALA HB2 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1
117 . 1 1 13 13 ALA HB3 H 1 1.384 0.05 . 1 . . . . 13 ALA HB1 . 17966 1
118 . 1 1 13 13 ALA CA C 13 55.358 0.3 . 1 . . . . 13 ALA CA . 17966 1
119 . 1 1 13 13 ALA CB C 13 17.967 0.3 . 1 . . . . 13 ALA CB . 17966 1
120 . 1 1 13 13 ALA N N 15 123.174 0.3 . 1 . . . . 13 ALA N . 17966 1
121 . 1 1 14 14 ILE H H 1 7.992 0.05 . 1 . . . . 14 ILE HN . 17966 1
122 . 1 1 14 14 ILE HA H 1 3.536 0.05 . 1 . . . . 14 ILE HA . 17966 1
123 . 1 1 14 14 ILE HB H 1 1.886 0.05 . 1 . . . . 14 ILE HB . 17966 1
124 . 1 1 14 14 ILE HG12 H 1 1.900 0.05 . 1 . . . . 14 ILE HG11 . 17966 1
125 . 1 1 14 14 ILE HG13 H 1 1.000 0.05 . 1 . . . . 14 ILE HG12 . 17966 1
126 . 1 1 14 14 ILE HG21 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1
127 . 1 1 14 14 ILE HG22 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1
128 . 1 1 14 14 ILE HG23 H 1 0.830 0.05 . 1 . . . . 14 ILE HG21 . 17966 1
129 . 1 1 14 14 ILE HD11 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1
130 . 1 1 14 14 ILE HD12 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1
131 . 1 1 14 14 ILE HD13 H 1 0.770 0.05 . 1 . . . . 14 ILE HD11 . 17966 1
132 . 1 1 14 14 ILE CA C 13 65.306 0.3 . 1 . . . . 14 ILE CA . 17966 1
133 . 1 1 14 14 ILE CB C 13 37.152 0.3 . 1 . . . . 14 ILE CB . 17966 1
134 . 1 1 14 14 ILE CG1 C 13 29.500 0.3 . 1 . . . . 14 ILE CG1 . 17966 1
135 . 1 1 14 14 ILE CG2 C 13 17.286 0.3 . 1 . . . . 14 ILE CG2 . 17966 1
136 . 1 1 14 14 ILE CD1 C 13 13.379 0.3 . 1 . . . . 14 ILE CD1 . 17966 1
137 . 1 1 14 14 ILE N N 15 116.690 0.3 . 1 . . . . 14 ILE N . 17966 1
138 . 1 1 15 15 LEU H H 1 8.400 0.05 . 1 . . . . 15 LEU HN . 17966 1
139 . 1 1 15 15 LEU HA H 1 3.878 0.05 . 1 . . . . 15 LEU HA . 17966 1
140 . 1 1 15 15 LEU HB2 H 1 1.819 0.05 . 2 . . . . 15 LEU HB1 . 17966 1
141 . 1 1 15 15 LEU HB3 H 1 1.505 0.05 . 2 . . . . 15 LEU HB2 . 17966 1
142 . 1 1 15 15 LEU HG H 1 1.765 0.05 . 1 . . . . 15 LEU HG . 17966 1
143 . 1 1 15 15 LEU HD11 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1
144 . 1 1 15 15 LEU HD12 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1
145 . 1 1 15 15 LEU HD13 H 1 0.775 0.05 . 2 . . . . 15 LEU HD11 . 17966 1
146 . 1 1 15 15 LEU HD21 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1
147 . 1 1 15 15 LEU HD22 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1
148 . 1 1 15 15 LEU HD23 H 1 0.775 0.05 . 2 . . . . 15 LEU HD21 . 17966 1
149 . 1 1 15 15 LEU CA C 13 57.947 0.3 . 1 . . . . 15 LEU CA . 17966 1
150 . 1 1 15 15 LEU CB C 13 41.052 0.3 . 1 . . . . 15 LEU CB . 17966 1
151 . 1 1 15 15 LEU CG C 13 26.883 0.3 . 1 . . . . 15 LEU CG . 17966 1
152 . 1 1 15 15 LEU CD1 C 13 24.904 0.3 . 2 . . . . 15 LEU CD1 . 17966 1
153 . 1 1 15 15 LEU CD2 C 13 23.602 0.3 . 2 . . . . 15 LEU CD2 . 17966 1
154 . 1 1 15 15 LEU N N 15 119.173 0.3 . 1 . . . . 15 LEU N . 17966 1
155 . 1 1 16 16 ALA H H 1 8.432 0.05 . 1 . . . . 16 ALA HN . 17966 1
156 . 1 1 16 16 ALA HA H 1 3.799 0.05 . 1 . . . . 16 ALA HA . 17966 1
157 . 1 1 16 16 ALA HB1 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1
158 . 1 1 16 16 ALA HB2 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1
159 . 1 1 16 16 ALA HB3 H 1 1.391 0.05 . 1 . . . . 16 ALA HB1 . 17966 1
160 . 1 1 16 16 ALA CA C 13 55.646 0.3 . 1 . . . . 16 ALA CA . 17966 1
161 . 1 1 16 16 ALA CB C 13 18.027 0.3 . 1 . . . . 16 ALA CB . 17966 1
162 . 1 1 16 16 ALA N N 15 120.060 0.3 . 1 . . . . 16 ALA N . 17966 1
163 . 1 1 17 17 LEU H H 1 8.085 0.05 . 1 . . . . 17 LEU HN . 17966 1
164 . 1 1 17 17 LEU HA H 1 3.927 0.05 . 1 . . . . 17 LEU HA . 17966 1
165 . 1 1 17 17 LEU HB2 H 1 1.915 0.05 . 2 . . . . 17 LEU HB1 . 17966 1
166 . 1 1 17 17 LEU HB3 H 1 1.478 0.05 . 2 . . . . 17 LEU HB2 . 17966 1
167 . 1 1 17 17 LEU HG H 1 1.754 0.05 . 1 . . . . 17 LEU HG . 17966 1
168 . 1 1 17 17 LEU HD11 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1
169 . 1 1 17 17 LEU HD12 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1
170 . 1 1 17 17 LEU HD13 H 1 0.914 0.05 . 2 . . . . 17 LEU HD11 . 17966 1
171 . 1 1 17 17 LEU HD21 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1
172 . 1 1 17 17 LEU HD22 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1
173 . 1 1 17 17 LEU HD23 H 1 0.764 0.05 . 2 . . . . 17 LEU HD21 . 17966 1
174 . 1 1 17 17 LEU CA C 13 58.180 0.3 . 1 . . . . 17 LEU CA . 17966 1
175 . 1 1 17 17 LEU CB C 13 41.993 0.3 . 1 . . . . 17 LEU CB . 17966 1
176 . 1 1 17 17 LEU CG C 13 26.950 0.3 . 1 . . . . 17 LEU CG . 17966 1
177 . 1 1 17 17 LEU CD1 C 13 24.300 0.3 . 1 . . . . 17 LEU CD1 . 17966 1
178 . 1 1 17 17 LEU CD2 C 13 23.600 0.3 . 1 . . . . 17 LEU CD2 . 17966 1
179 . 1 1 17 17 LEU N N 15 117.358 0.3 . 1 . . . . 17 LEU N . 17966 1
180 . 1 1 18 18 VAL H H 1 8.562 0.05 . 1 . . . . 18 VAL HN . 17966 1
181 . 1 1 18 18 VAL HA H 1 3.420 0.05 . 1 . . . . 18 VAL HA . 17966 1
182 . 1 1 18 18 VAL HB H 1 2.322 0.05 . 1 . . . . 18 VAL HB . 17966 1
183 . 1 1 18 18 VAL HG11 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1
184 . 1 1 18 18 VAL HG12 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1
185 . 1 1 18 18 VAL HG13 H 1 0.974 0.05 . 2 . . . . 18 VAL HG11 . 17966 1
186 . 1 1 18 18 VAL HG21 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1
187 . 1 1 18 18 VAL HG22 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1
188 . 1 1 18 18 VAL HG23 H 1 0.827 0.05 . 2 . . . . 18 VAL HG21 . 17966 1
189 . 1 1 18 18 VAL CA C 13 67.438 0.3 . 1 . . . . 18 VAL CA . 17966 1
190 . 1 1 18 18 VAL CB C 13 30.900 0.3 . 1 . . . . 18 VAL CB . 17966 1
191 . 1 1 18 18 VAL CG1 C 13 23.144 0.3 . 1 . . . . 18 VAL CG1 . 17966 1
192 . 1 1 18 18 VAL CG2 C 13 21.419 0.3 . 1 . . . . 18 VAL CG2 . 17966 1
193 . 1 1 18 18 VAL N N 15 122.222 0.3 . 1 . . . . 18 VAL N . 17966 1
194 . 1 1 19 19 VAL H H 1 8.450 0.05 . 1 . . . . 19 VAL HN . 17966 1
195 . 1 1 19 19 VAL HA H 1 3.413 0.05 . 1 . . . . 19 VAL HA . 17966 1
196 . 1 1 19 19 VAL HB H 1 2.158 0.05 . 1 . . . . 19 VAL HB . 17966 1
197 . 1 1 19 19 VAL HG11 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1
198 . 1 1 19 19 VAL HG12 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1
199 . 1 1 19 19 VAL HG13 H 1 0.974 0.05 . 2 . . . . 19 VAL HG11 . 17966 1
200 . 1 1 19 19 VAL HG21 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1
201 . 1 1 19 19 VAL HG22 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1
202 . 1 1 19 19 VAL HG23 H 1 0.844 0.05 . 2 . . . . 19 VAL HG21 . 17966 1
203 . 1 1 19 19 VAL CA C 13 67.438 0.3 . 1 . . . . 19 VAL CA . 17966 1
204 . 1 1 19 19 VAL CB C 13 30.900 0.3 . 1 . . . . 19 VAL CB . 17966 1
205 . 1 1 19 19 VAL CG1 C 13 23.193 0.3 . 2 . . . . 19 VAL CG1 . 17966 1
206 . 1 1 19 19 VAL CG2 C 13 21.131 0.3 . 1 . . . . 19 VAL CG2 . 17966 1
207 . 1 1 19 19 VAL N N 15 119.536 0.3 . 1 . . . . 19 VAL N . 17966 1
208 . 1 1 20 20 LEU H H 1 8.614 0.05 . 1 . . . . 20 LEU HN . 17966 1
209 . 1 1 20 20 LEU HA H 1 3.937 0.05 . 1 . . . . 20 LEU HA . 17966 1
210 . 1 1 20 20 LEU HB2 H 1 1.880 0.05 . 2 . . . . 20 LEU HB1 . 17966 1
211 . 1 1 20 20 LEU HB3 H 1 1.500 0.05 . 2 . . . . 20 LEU HB2 . 17966 1
212 . 1 1 20 20 LEU HG H 1 1.800 0.05 . 1 . . . . 20 LEU HG . 17966 1
213 . 1 1 20 20 LEU HD11 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1
214 . 1 1 20 20 LEU HD12 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1
215 . 1 1 20 20 LEU HD13 H 1 0.750 0.05 . 2 . . . . 20 LEU HD11 . 17966 1
216 . 1 1 20 20 LEU CA C 13 58.234 0.3 . 1 . . . . 20 LEU CA . 17966 1
217 . 1 1 20 20 LEU CB C 13 41.672 0.3 . 1 . . . . 20 LEU CB . 17966 1
218 . 1 1 20 20 LEU CG C 13 27.046 0.3 . 1 . . . . 20 LEU CG . 17966 1
219 . 1 1 20 20 LEU CD1 C 13 24.360 0.3 . 1 . . . . 20 LEU CD1 . 17966 1
220 . 1 1 20 20 LEU CD2 C 13 23.820 0.3 . 1 . . . . 20 LEU CD2 . 17966 1
221 . 1 1 20 20 LEU N N 15 118.337 0.3 . 1 . . . . 20 LEU N . 17966 1
222 . 1 1 21 21 THR H H 1 8.274 0.05 . 1 . . . . 21 THR HN . 17966 1
223 . 1 1 21 21 THR HA H 1 3.664 0.05 . 1 . . . . 21 THR HA . 17966 1
224 . 1 1 21 21 THR HB H 1 4.267 0.05 . 1 . . . . 21 THR HB . 17966 1
225 . 1 1 21 21 THR HG21 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1
226 . 1 1 21 21 THR HG22 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1
227 . 1 1 21 21 THR HG23 H 1 1.027 0.05 . 1 . . . . 21 THR HG21 . 17966 1
228 . 1 1 21 21 THR CA C 13 68.301 0.3 . 1 . . . . 21 THR CA . 17966 1
229 . 1 1 21 21 THR CB C 13 67.000 0.3 . 1 . . . . 21 THR CB . 17966 1
230 . 1 1 21 21 THR CG2 C 13 20.843 0.3 . 1 . . . . 21 THR CG2 . 17966 1
231 . 1 1 21 21 THR N N 15 119.230 0.3 . 1 . . . . 21 THR N . 17966 1
232 . 1 1 22 22 ILE H H 1 8.150 0.05 . 1 . . . . 22 ILE HN . 17966 1
233 . 1 1 22 22 ILE HA H 1 3.545 0.05 . 1 . . . . 22 ILE HA . 17966 1
234 . 1 1 22 22 ILE HB H 1 2.000 0.05 . 1 . . . . 22 ILE HB . 17966 1
235 . 1 1 22 22 ILE HG12 H 1 1.900 0.05 . 1 . . . . 22 ILE HG11 . 17966 1
236 . 1 1 22 22 ILE HG13 H 1 1.000 0.05 . 1 . . . . 22 ILE HG12 . 17966 1
237 . 1 1 22 22 ILE HG21 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1
238 . 1 1 22 22 ILE HG22 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1
239 . 1 1 22 22 ILE HG23 H 1 0.830 0.05 . 1 . . . . 22 ILE HG21 . 17966 1
240 . 1 1 22 22 ILE HD11 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1
241 . 1 1 22 22 ILE HD12 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1
242 . 1 1 22 22 ILE HD13 H 1 0.770 0.05 . 1 . . . . 22 ILE HD11 . 17966 1
243 . 1 1 22 22 ILE CA C 13 65.898 0.3 . 1 . . . . 22 ILE CA . 17966 1
244 . 1 1 22 22 ILE CB C 13 37.193 0.3 . 1 . . . . 22 ILE CB . 17966 1
245 . 1 1 22 22 ILE CG1 C 13 29.277 0.3 . 1 . . . . 22 ILE CG1 . 17966 1
246 . 1 1 22 22 ILE CG2 C 13 17.158 0.3 . 1 . . . . 22 ILE CG2 . 17966 1
247 . 1 1 22 22 ILE CD1 C 13 13.003 0.3 . 1 . . . . 22 ILE CD1 . 17966 1
248 . 1 1 22 22 ILE N N 15 121.433 0.3 . 1 . . . . 22 ILE N . 17966 1
249 . 1 1 23 23 ILE HA H 1 3.546 0.05 . 1 . . . . 23 ILE HA . 17966 1
250 . 1 1 23 23 ILE HB H 1 1.917 0.05 . 1 . . . . 23 ILE HB . 17966 1
251 . 1 1 23 23 ILE HG12 H 1 1.890 0.05 . 1 . . . . 23 ILE HG11 . 17966 1
252 . 1 1 23 23 ILE HG13 H 1 1.010 0.05 . 1 . . . . 23 ILE HG12 . 17966 1
253 . 1 1 23 23 ILE HG21 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1
254 . 1 1 23 23 ILE HG22 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1
255 . 1 1 23 23 ILE HG23 H 1 0.830 0.05 . 1 . . . . 23 ILE HG21 . 17966 1
256 . 1 1 23 23 ILE HD11 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1
257 . 1 1 23 23 ILE HD12 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1
258 . 1 1 23 23 ILE HD13 H 1 0.770 0.05 . 1 . . . . 23 ILE HD11 . 17966 1
259 . 1 1 23 23 ILE CA C 13 65.684 0.3 . 1 . . . . 23 ILE CA . 17966 1
260 . 1 1 23 23 ILE CB C 13 37.238 0.3 . 1 . . . . 23 ILE CB . 17966 1
261 . 1 1 23 23 ILE CG1 C 13 29.500 0.3 . 1 . . . . 23 ILE CG1 . 17966 1
262 . 1 1 23 23 ILE CG2 C 13 17.310 0.3 . 1 . . . . 23 ILE CG2 . 17966 1
263 . 1 1 23 23 ILE CD1 C 13 13.282 0.3 . 1 . . . . 23 ILE CD1 . 17966 1
264 . 1 1 24 24 SER H H 1 8.150 0.05 . 1 . . . . 24 SER HN . 17966 1
265 . 1 1 24 24 SER HA H 1 3.955 0.05 . 1 . . . . 24 SER HA . 17966 1
266 . 1 1 24 24 SER HB2 H 1 4.066 0.05 . 2 . . . . 24 SER HB1 . 17966 1
267 . 1 1 24 24 SER HB3 H 1 3.581 0.05 . 2 . . . . 24 SER HB2 . 17966 1
268 . 1 1 24 24 SER CA C 13 63.760 0.3 . 1 . . . . 24 SER CA . 17966 1
269 . 1 1 24 24 SER CB C 13 62.836 0.3 . 1 . . . . 24 SER CB . 17966 1
270 . 1 1 24 24 SER N N 15 115.951 0.3 . 1 . . . . 24 SER N . 17966 1
271 . 1 1 25 25 LEU H H 1 8.083 0.05 . 1 . . . . 25 LEU HN . 17966 1
272 . 1 1 25 25 LEU HA H 1 3.945 0.05 . 1 . . . . 25 LEU HA . 17966 1
273 . 1 1 25 25 LEU HB2 H 1 1.818 0.05 . 2 . . . . 25 LEU HB1 . 17966 1
274 . 1 1 25 25 LEU HB3 H 1 1.653 0.05 . 2 . . . . 25 LEU HB2 . 17966 1
275 . 1 1 25 25 LEU HG H 1 1.783 0.05 . 1 . . . . 25 LEU HG . 17966 1
276 . 1 1 25 25 LEU HD11 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1
277 . 1 1 25 25 LEU HD12 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1
278 . 1 1 25 25 LEU HD13 H 1 0.787 0.05 . 2 . . . . 25 LEU HD11 . 17966 1
279 . 1 1 25 25 LEU HD21 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1
280 . 1 1 25 25 LEU HD22 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1
281 . 1 1 25 25 LEU HD23 H 1 0.765 0.05 . 2 . . . . 25 LEU HD21 . 17966 1
282 . 1 1 25 25 LEU CA C 13 58.100 0.3 . 1 . . . . 25 LEU CA . 17966 1
283 . 1 1 25 25 LEU CB C 13 41.612 0.3 . 1 . . . . 25 LEU CB . 17966 1
284 . 1 1 25 25 LEU CG C 13 26.787 0.3 . 1 . . . . 25 LEU CG . 17966 1
285 . 1 1 25 25 LEU CD1 C 13 25.090 0.3 . 2 . . . . 25 LEU CD1 . 17966 1
286 . 1 1 25 25 LEU CD2 C 13 23.740 0.3 . 2 . . . . 25 LEU CD2 . 17966 1
287 . 1 1 25 25 LEU N N 15 121.215 0.3 . 1 . . . . 25 LEU N . 17966 1
288 . 1 1 26 26 ILE H H 1 8.130 0.05 . 1 . . . . 26 ILE HN . 17966 1
289 . 1 1 26 26 ILE HA H 1 3.500 0.05 . 1 . . . . 26 ILE HA . 17966 1
290 . 1 1 26 26 ILE HB H 1 2.036 0.05 . 1 . . . . 26 ILE HB . 17966 1
291 . 1 1 26 26 ILE HG12 H 1 1.900 0.05 . 1 . . . . 26 ILE HG11 . 17966 1
292 . 1 1 26 26 ILE HG13 H 1 0.917 0.05 . 1 . . . . 26 ILE HG12 . 17966 1
293 . 1 1 26 26 ILE HG21 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1
294 . 1 1 26 26 ILE HG22 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1
295 . 1 1 26 26 ILE HG23 H 1 0.937 0.05 . 1 . . . . 26 ILE HG21 . 17966 1
296 . 1 1 26 26 ILE HD11 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1
297 . 1 1 26 26 ILE HD12 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1
298 . 1 1 26 26 ILE HD13 H 1 0.770 0.05 . 1 . . . . 26 ILE HD11 . 17966 1
299 . 1 1 26 26 ILE CA C 13 65.651 0.3 . 1 . . . . 26 ILE CA . 17966 1
300 . 1 1 26 26 ILE CB C 13 37.011 0.3 . 1 . . . . 26 ILE CB . 17966 1
301 . 1 1 26 26 ILE CG1 C 13 29.277 0.3 . 1 . . . . 26 ILE CG1 . 17966 1
302 . 1 1 26 26 ILE CG2 C 13 17.509 0.3 . 1 . . . . 26 ILE CG2 . 17966 1
303 . 1 1 26 26 ILE CD1 C 13 13.811 0.3 . 1 . . . . 26 ILE CD1 . 17966 1
304 . 1 1 26 26 ILE N N 15 118.641 0.3 . 1 . . . . 26 ILE N . 17966 1
305 . 1 1 27 27 ILE H H 1 8.238 0.05 . 1 . . . . 27 ILE HN . 17966 1
306 . 1 1 27 27 ILE HA H 1 3.532 0.05 . 1 . . . . 27 ILE HA . 17966 1
307 . 1 1 27 27 ILE HB H 1 2.026 0.05 . 1 . . . . 27 ILE HB . 17966 1
308 . 1 1 27 27 ILE HG12 H 1 1.854 0.05 . 1 . . . . 27 ILE HG11 . 17966 1
309 . 1 1 27 27 ILE HG13 H 1 1.019 0.05 . 1 . . . . 27 ILE HG12 . 17966 1
310 . 1 1 27 27 ILE HG21 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1
311 . 1 1 27 27 ILE HG22 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1
312 . 1 1 27 27 ILE HG23 H 1 0.835 0.05 . 1 . . . . 27 ILE HG21 . 17966 1
313 . 1 1 27 27 ILE HD11 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1
314 . 1 1 27 27 ILE HD12 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1
315 . 1 1 27 27 ILE HD13 H 1 0.774 0.05 . 1 . . . . 27 ILE HD11 . 17966 1
316 . 1 1 27 27 ILE CA C 13 66.000 0.3 . 1 . . . . 27 ILE CA . 17966 1
317 . 1 1 27 27 ILE CB C 13 37.238 0.3 . 1 . . . . 27 ILE CB . 17966 1
318 . 1 1 27 27 ILE CG1 C 13 29.472 0.3 . 1 . . . . 27 ILE CG1 . 17966 1
319 . 1 1 27 27 ILE CG2 C 13 17.104 0.3 . 1 . . . . 27 ILE CG2 . 17966 1
320 . 1 1 27 27 ILE CD1 C 13 13.365 0.3 . 1 . . . . 27 ILE CD1 . 17966 1
321 . 1 1 27 27 ILE N N 15 119.456 0.3 . 1 . . . . 27 ILE N . 17966 1
322 . 1 1 28 28 LEU H H 1 8.400 0.05 . 1 . . . . 28 LEU HN . 17966 1
323 . 1 1 28 28 LEU HA H 1 3.943 0.05 . 1 . . . . 28 LEU HA . 17966 1
324 . 1 1 28 28 LEU HB2 H 1 1.819 0.05 . 2 . . . . 28 LEU HB1 . 17966 1
325 . 1 1 28 28 LEU HB3 H 1 1.505 0.05 . 2 . . . . 28 LEU HB2 . 17966 1
326 . 1 1 28 28 LEU HD11 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1
327 . 1 1 28 28 LEU HD12 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1
328 . 1 1 28 28 LEU HD13 H 1 0.787 0.05 . 2 . . . . 28 LEU HD11 . 17966 1
329 . 1 1 28 28 LEU HD21 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1
330 . 1 1 28 28 LEU HD22 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1
331 . 1 1 28 28 LEU HD23 H 1 0.765 0.05 . 2 . . . . 28 LEU HD21 . 17966 1
332 . 1 1 28 28 LEU CA C 13 58.010 0.3 . 1 . . . . 28 LEU CA . 17966 1
333 . 1 1 28 28 LEU CB C 13 41.556 0.3 . 1 . . . . 28 LEU CB . 17966 1
334 . 1 1 28 28 LEU CD1 C 13 25.160 0.3 . 1 . . . . 28 LEU CD1 . 17966 1
335 . 1 1 28 28 LEU CD2 C 13 23.969 0.3 . 1 . . . . 28 LEU CD2 . 17966 1
336 . 1 1 28 28 LEU N N 15 119.173 0.3 . 1 . . . . 28 LEU N . 17966 1
337 . 1 1 29 29 ILE H H 1 8.439 0.05 . 1 . . . . 29 ILE HN . 17966 1
338 . 1 1 29 29 ILE HA H 1 3.762 0.05 . 1 . . . . 29 ILE HA . 17966 1
339 . 1 1 29 29 ILE HB H 1 2.043 0.05 . 1 . . . . 29 ILE HB . 17966 1
340 . 1 1 29 29 ILE HG12 H 1 1.880 0.05 . 1 . . . . 29 ILE HG11 . 17966 1
341 . 1 1 29 29 ILE HG13 H 1 1.010 0.05 . 1 . . . . 29 ILE HG12 . 17966 1
342 . 1 1 29 29 ILE HG21 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1
343 . 1 1 29 29 ILE HG22 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1
344 . 1 1 29 29 ILE HG23 H 1 0.928 0.05 . 1 . . . . 29 ILE HG21 . 17966 1
345 . 1 1 29 29 ILE HD11 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1
346 . 1 1 29 29 ILE HD12 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1
347 . 1 1 29 29 ILE HD13 H 1 0.776 0.05 . 1 . . . . 29 ILE HD11 . 17966 1
348 . 1 1 29 29 ILE CA C 13 65.137 0.3 . 1 . . . . 29 ILE CA . 17966 1
349 . 1 1 29 29 ILE CB C 13 37.525 0.3 . 1 . . . . 29 ILE CB . 17966 1
350 . 1 1 29 29 ILE CG1 C 13 29.800 0.3 . 1 . . . . 29 ILE CG1 . 17966 1
351 . 1 1 29 29 ILE CG2 C 13 17.680 0.3 . 1 . . . . 29 ILE CG2 . 17966 1
352 . 1 1 29 29 ILE CD1 C 13 13.634 0.3 . 1 . . . . 29 ILE CD1 . 17966 1
353 . 1 1 29 29 ILE N N 15 117.905 0.3 . 1 . . . . 29 ILE N . 17966 1
354 . 1 1 30 30 MET H H 1 8.363 0.05 . 1 . . . . 30 MET HN . 17966 1
355 . 1 1 30 30 MET HA H 1 4.198 0.05 . 1 . . . . 30 MET HA . 17966 1
356 . 1 1 30 30 MET HB2 H 1 2.768 0.05 . 2 . . . . 30 MET HB1 . 17966 1
357 . 1 1 30 30 MET HB3 H 1 2.554 0.05 . 2 . . . . 30 MET HB2 . 17966 1
358 . 1 1 30 30 MET HG2 H 1 2.336 0.05 . 2 . . . . 30 MET HG1 . 17966 1
359 . 1 1 30 30 MET HG3 H 1 2.052 0.05 . 2 . . . . 30 MET HG2 . 17966 1
360 . 1 1 30 30 MET HE1 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1
361 . 1 1 30 30 MET HE2 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1
362 . 1 1 30 30 MET HE3 H 1 2.010 0.05 . 1 . . . . 30 MET HE1 . 17966 1
363 . 1 1 30 30 MET CA C 13 58.809 0.3 . 1 . . . . 30 MET CA . 17966 1
364 . 1 1 30 30 MET CB C 13 32.636 0.3 . 1 . . . . 30 MET CB . 17966 1
365 . 1 1 30 30 MET CG C 13 32.061 0.3 . 1 . . . . 30 MET CG . 17966 1
366 . 1 1 30 30 MET CE C 13 17.164 0.3 . 1 . . . . 30 MET CE . 17966 1
367 . 1 1 30 30 MET N N 15 118.388 0.3 . 1 . . . . 30 MET N . 17966 1
368 . 1 1 31 31 LEU H H 1 8.570 0.05 . 1 . . . . 31 LEU HN . 17966 1
369 . 1 1 31 31 LEU HA H 1 3.954 0.05 . 1 . . . . 31 LEU HA . 17966 1
370 . 1 1 31 31 LEU HB2 H 1 1.997 0.05 . 2 . . . . 31 LEU HB1 . 17966 1
371 . 1 1 31 31 LEU HB3 H 1 1.527 0.05 . 2 . . . . 31 LEU HB2 . 17966 1
372 . 1 1 31 31 LEU HG H 1 1.923 0.05 . 1 . . . . 31 LEU HG . 17966 1
373 . 1 1 31 31 LEU HD11 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1
374 . 1 1 31 31 LEU HD12 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1
375 . 1 1 31 31 LEU HD13 H 1 0.783 0.05 . 2 . . . . 31 LEU HD11 . 17966 1
376 . 1 1 31 31 LEU HD21 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1
377 . 1 1 31 31 LEU HD22 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1
378 . 1 1 31 31 LEU HD23 H 1 0.765 0.05 . 2 . . . . 31 LEU HD21 . 17966 1
379 . 1 1 31 31 LEU CA C 13 58.010 0.3 . 1 . . . . 31 LEU CA . 17966 1
380 . 1 1 31 31 LEU CB C 13 41.900 0.3 . 1 . . . . 31 LEU CB . 17966 1
381 . 1 1 31 31 LEU CG C 13 26.660 0.3 . 1 . . . . 31 LEU CG . 17966 1
382 . 1 1 31 31 LEU CD1 C 13 24.900 0.3 . 1 . . . . 31 LEU CD1 . 17966 1
383 . 1 1 31 31 LEU CD2 C 13 23.144 0.3 . 1 . . . . 31 LEU CD2 . 17966 1
384 . 1 1 31 31 LEU N N 15 119.261 0.3 . 1 . . . . 31 LEU N . 17966 1
385 . 1 1 32 32 TRP H H 1 8.567 0.05 . 1 . . . . 32 TRP HN . 17966 1
386 . 1 1 32 32 TRP HA H 1 4.446 0.05 . 1 . . . . 32 TRP HA . 17966 1
387 . 1 1 32 32 TRP HB2 H 1 3.430 0.05 . 2 . . . . 32 TRP HB1 . 17966 1
388 . 1 1 32 32 TRP HB3 H 1 3.410 0.05 . 2 . . . . 32 TRP HB2 . 17966 1
389 . 1 1 32 32 TRP HD1 H 1 7.183 0.05 . 1 . . . . 32 TRP HD1 . 17966 1
390 . 1 1 32 32 TRP HE1 H 1 10.481 0.05 . 1 . . . . 32 TRP HE1 . 17966 1
391 . 1 1 32 32 TRP HE3 H 1 7.534 0.05 . 1 . . . . 32 TRP HE3 . 17966 1
392 . 1 1 32 32 TRP HZ2 H 1 7.485 0.05 . 1 . . . . 32 TRP HZ2 . 17966 1
393 . 1 1 32 32 TRP HZ3 H 1 6.946 0.05 . 1 . . . . 32 TRP HZ3 . 17966 1
394 . 1 1 32 32 TRP HH2 H 1 7.098 0.05 . 1 . . . . 32 TRP HH2 . 17966 1
395 . 1 1 32 32 TRP CA C 13 58.809 0.3 . 1 . . . . 32 TRP CA . 17966 1
396 . 1 1 32 32 TRP CB C 13 29.184 0.3 . 1 . . . . 32 TRP CB . 17966 1
397 . 1 1 32 32 TRP CD1 C 13 125.534 0.3 . 1 . . . . 32 TRP CD1 . 17966 1
398 . 1 1 32 32 TRP CE3 C 13 120.070 0.3 . 1 . . . . 32 TRP CE3 . 17966 1
399 . 1 1 32 32 TRP CZ2 C 13 114.605 0.3 . 1 . . . . 32 TRP CZ2 . 17966 1
400 . 1 1 32 32 TRP CZ3 C 13 120.645 0.3 . 1 . . . . 32 TRP CZ3 . 17966 1
401 . 1 1 32 32 TRP CH2 C 13 123.521 0.3 . 1 . . . . 32 TRP CH2 . 17966 1
402 . 1 1 32 32 TRP N N 15 120.616 0.3 . 1 . . . . 32 TRP N . 17966 1
403 . 1 1 32 32 TRP NE1 N 15 134.508 0.3 . 1 . . . . 32 TRP NE1 . 17966 1
404 . 1 1 33 33 GLN H H 1 8.089 0.05 . 1 . . . . 33 GLN HN . 17966 1
405 . 1 1 33 33 GLN HA H 1 4.036 0.05 . 1 . . . . 33 GLN HA . 17966 1
406 . 1 1 33 33 GLN HB2 H 1 2.154 0.05 . 2 . . . . 33 GLN HB1 . 17966 1
407 . 1 1 33 33 GLN HG2 H 1 2.389 0.05 . 2 . . . . 33 GLN HG1 . 17966 1
408 . 1 1 33 33 GLN CA C 13 56.796 0.3 . 1 . . . . 33 GLN CA . 17966 1
409 . 1 1 33 33 GLN CB C 13 28.897 0.3 . 1 . . . . 33 GLN CB . 17966 1
410 . 1 1 33 33 GLN CG C 13 34.362 0.3 . 1 . . . . 33 GLN CG . 17966 1
411 . 1 1 33 33 GLN N N 15 116.279 0.3 . 1 . . . . 33 GLN N . 17966 1
412 . 1 1 34 34 LYS H H 1 7.804 0.05 . 1 . . . . 34 LYS HN . 17966 1
413 . 1 1 34 34 LYS HA H 1 4.197 0.05 . 1 . . . . 34 LYS HA . 17966 1
414 . 1 1 34 34 LYS HB2 H 1 1.716 0.05 . 2 . . . . 34 LYS HB1 . 17966 1
415 . 1 1 34 34 LYS HG2 H 1 1.465 0.05 . 2 . . . . 34 LYS HG1 . 17966 1
416 . 1 1 34 34 LYS HD2 H 1 1.657 0.05 . 2 . . . . 34 LYS HD1 . 17966 1
417 . 1 1 34 34 LYS HE2 H 1 2.879 0.05 . 2 . . . . 34 LYS HE1 . 17966 1
418 . 1 1 34 34 LYS CA C 13 56.180 0.3 . 1 . . . . 34 LYS CA . 17966 1
419 . 1 1 34 34 LYS CB C 13 32.696 0.3 . 1 . . . . 34 LYS CB . 17966 1
420 . 1 1 34 34 LYS CG C 13 24.643 0.3 . 1 . . . . 34 LYS CG . 17966 1
421 . 1 1 34 34 LYS CD C 13 28.938 0.3 . 1 . . . . 34 LYS CD . 17966 1
422 . 1 1 34 34 LYS CE C 13 41.612 0.3 . 1 . . . . 34 LYS CE . 17966 1
423 . 1 1 34 34 LYS N N 15 119.059 0.3 . 1 . . . . 34 LYS N . 17966 1
424 . 1 1 35 35 LYS H H 1 7.929 0.05 . 1 . . . . 35 LYS HN . 17966 1
425 . 1 1 35 35 LYS HA H 1 4.433 0.05 . 1 . . . . 35 LYS HA . 17966 1
426 . 1 1 35 35 LYS HB2 H 1 1.728 0.05 . 2 . . . . 35 LYS HB1 . 17966 1
427 . 1 1 35 35 LYS HG2 H 1 1.399 0.05 . 2 . . . . 35 LYS HG1 . 17966 1
428 . 1 1 35 35 LYS HD2 H 1 1.738 0.05 . 2 . . . . 35 LYS HD1 . 17966 1
429 . 1 1 35 35 LYS HE2 H 1 2.866 0.05 . 2 . . . . 35 LYS HE1 . 17966 1
430 . 1 1 35 35 LYS CA C 13 54.555 0.3 . 1 . . . . 35 LYS CA . 17966 1
431 . 1 1 35 35 LYS CB C 13 32.408 0.3 . 1 . . . . 35 LYS CB . 17966 1
432 . 1 1 35 35 LYS CG C 13 24.067 0.3 . 1 . . . . 35 LYS CG . 17966 1
433 . 1 1 35 35 LYS CE C 13 41.610 0.3 . 1 . . . . 35 LYS CE . 17966 1
434 . 1 1 35 35 LYS N N 15 122.377 0.3 . 1 . . . . 35 LYS N . 17966 1
435 . 1 1 36 36 PRO HA H 1 4.307 0.05 . 1 . . . . 36 PRO HA . 17966 1
436 . 1 1 36 36 PRO HB2 H 1 2.044 0.05 . 2 . . . . 36 PRO HB1 . 17966 1
437 . 1 1 36 36 PRO HB3 H 1 1.686 0.05 . 2 . . . . 36 PRO HB2 . 17966 1
438 . 1 1 36 36 PRO HG2 H 1 1.934 0.05 . 2 . . . . 36 PRO HG1 . 17966 1
439 . 1 1 36 36 PRO HD2 H 1 3.765 0.05 . 2 . . . . 36 PRO HD1 . 17966 1
440 . 1 1 36 36 PRO HD3 H 1 3.561 0.05 . 2 . . . . 36 PRO HD2 . 17966 1
441 . 1 1 36 36 PRO CA C 13 62.836 0.3 . 1 . . . . 36 PRO CA . 17966 1
442 . 1 1 36 36 PRO CB C 13 31.773 0.3 . 1 . . . . 36 PRO CB . 17966 1
443 . 1 1 36 36 PRO CG C 13 27.459 0.3 . 1 . . . . 36 PRO CG . 17966 1
444 . 1 1 36 36 PRO CD C 13 50.181 0.3 . 1 . . . . 36 PRO CD . 17966 1
445 . 1 1 37 37 ARG H H 1 8.128 0.05 . 1 . . . . 37 ARG HN . 17966 1
446 . 1 1 37 37 ARG HA H 1 4.235 0.05 . 1 . . . . 37 ARG HA . 17966 1
447 . 1 1 37 37 ARG HB2 H 1 1.696 0.05 . 2 . . . . 37 ARG HB1 . 17966 1
448 . 1 1 37 37 ARG HG2 H 1 1.506 0.05 . 2 . . . . 37 ARG HG1 . 17966 1
449 . 1 1 37 37 ARG HD2 H 1 3.120 0.05 . 2 . . . . 37 ARG HD1 . 17966 1
450 . 1 1 37 37 ARG CA C 13 55.358 0.3 . 1 . . . . 37 ARG CA . 17966 1
451 . 1 1 37 37 ARG CB C 13 30.910 0.3 . 1 . . . . 37 ARG CB . 17966 1
452 . 1 1 37 37 ARG CG C 13 27.035 0.3 . 1 . . . . 37 ARG CG . 17966 1
453 . 1 1 37 37 ARG CD C 13 42.990 0.3 . 1 . . . . 37 ARG CD . 17966 1
454 . 1 1 37 37 ARG N N 15 120.373 0.3 . 1 . . . . 37 ARG N . 17966 1
455 . 1 1 38 38 TYR H H 1 8.161 0.05 . 1 . . . . 38 TYR HN . 17966 1
456 . 1 1 38 38 TYR HA H 1 4.562 0.05 . 1 . . . . 38 TYR HA . 17966 1
457 . 1 1 38 38 TYR HB2 H 1 3.092 0.05 . 2 . . . . 38 TYR HB1 . 17966 1
458 . 1 1 38 38 TYR HB3 H 1 2.851 0.05 . 2 . . . . 38 TYR HB2 . 17966 1
459 . 1 1 38 38 TYR HD1 H 1 7.099 0.05 . 3 . . . . 38 TYR HD1 . 17966 1
460 . 1 1 38 38 TYR HE1 H 1 6.790 0.05 . 3 . . . . 38 TYR HE1 . 17966 1
461 . 1 1 38 38 TYR CA C 13 57.371 0.3 . 1 . . . . 38 TYR CA . 17966 1
462 . 1 1 38 38 TYR CB C 13 38.676 0.3 . 1 . . . . 38 TYR CB . 17966 1
463 . 1 1 38 38 TYR CD1 C 13 133.013 0.3 . 3 . . . . 38 TYR CD1 . 17966 1
464 . 1 1 38 38 TYR CE1 C 13 117.769 0.3 . 3 . . . . 38 TYR CE1 . 17966 1
465 . 1 1 38 38 TYR N N 15 121.508 0.3 . 1 . . . . 38 TYR N . 17966 1
466 . 1 1 39 39 GLU H H 1 7.757 0.05 . 1 . . . . 39 GLU HN . 17966 1
467 . 1 1 39 39 GLU HA H 1 4.082 0.05 . 1 . . . . 39 GLU HA . 17966 1
468 . 1 1 39 39 GLU HB2 H 1 1.994 0.05 . 2 . . . . 39 GLU HB1 . 17966 1
469 . 1 1 39 39 GLU HB3 H 1 1.847 0.05 . 2 . . . . 39 GLU HB2 . 17966 1
470 . 1 1 39 39 GLU HG2 H 1 2.098 0.05 . 2 . . . . 39 GLU HG1 . 17966 1
471 . 1 1 39 39 GLU HG3 H 1 1.984 0.05 . 2 . . . . 39 GLU HG2 . 17966 1
472 . 1 1 39 39 GLU CA C 13 57.371 0.3 . 1 . . . . 39 GLU CA . 17966 1
473 . 1 1 39 39 GLU CB C 13 31.485 0.3 . 1 . . . . 39 GLU CB . 17966 1
474 . 1 1 39 39 GLU CG C 13 36.435 0.3 . 1 . . . . 39 GLU CG . 17966 1
475 . 1 1 39 39 GLU N N 15 126.488 0.3 . 1 . . . . 39 GLU N . 17966 1
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