###################################
# 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_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11383
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 11383 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11383 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11383 1
2 $NMRPipe . . 11383 1
3 $NMRView . . 11383 1
4 $Kujira . . 11383 1
5 $CYANA . . 11383 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 8 8 SER HA H 1 4.465 0.030 . 1 . . . . 8 SER HA . 11383 1
2 . 1 1 8 8 SER HB2 H 1 3.862 0.030 . 2 . . . . 8 SER HB2 . 11383 1
3 . 1 1 8 8 SER CA C 13 58.411 0.300 . 1 . . . . 8 SER CA . 11383 1
4 . 1 1 8 8 SER CB C 13 63.814 0.300 . 1 . . . . 8 SER CB . 11383 1
5 . 1 1 9 9 GLY H H 1 8.441 0.030 . 1 . . . . 9 GLY H . 11383 1
6 . 1 1 9 9 GLY HA2 H 1 3.928 0.030 . 2 . . . . 9 GLY HA2 . 11383 1
7 . 1 1 9 9 GLY C C 13 173.968 0.300 . 1 . . . . 9 GLY C . 11383 1
8 . 1 1 9 9 GLY CA C 13 45.317 0.300 . 1 . . . . 9 GLY CA . 11383 1
9 . 1 1 9 9 GLY N N 15 110.815 0.300 . 1 . . . . 9 GLY N . 11383 1
10 . 1 1 10 10 GLU H H 1 8.182 0.030 . 1 . . . . 10 GLU H . 11383 1
11 . 1 1 10 10 GLU HA H 1 4.176 0.030 . 1 . . . . 10 GLU HA . 11383 1
12 . 1 1 10 10 GLU HB2 H 1 1.967 0.030 . 2 . . . . 10 GLU HB2 . 11383 1
13 . 1 1 10 10 GLU HB3 H 1 1.857 0.030 . 2 . . . . 10 GLU HB3 . 11383 1
14 . 1 1 10 10 GLU HG2 H 1 2.230 0.030 . 2 . . . . 10 GLU HG2 . 11383 1
15 . 1 1 10 10 GLU HG3 H 1 2.190 0.030 . 2 . . . . 10 GLU HG3 . 11383 1
16 . 1 1 10 10 GLU C C 13 176.094 0.300 . 1 . . . . 10 GLU C . 11383 1
17 . 1 1 10 10 GLU CA C 13 56.763 0.300 . 1 . . . . 10 GLU CA . 11383 1
18 . 1 1 10 10 GLU CB C 13 30.358 0.300 . 1 . . . . 10 GLU CB . 11383 1
19 . 1 1 10 10 GLU CG C 13 36.261 0.300 . 1 . . . . 10 GLU CG . 11383 1
20 . 1 1 10 10 GLU N N 15 120.354 0.300 . 1 . . . . 10 GLU N . 11383 1
21 . 1 1 11 11 LYS H H 1 8.148 0.030 . 1 . . . . 11 LYS H . 11383 1
22 . 1 1 11 11 LYS HA H 1 4.484 0.030 . 1 . . . . 11 LYS HA . 11383 1
23 . 1 1 11 11 LYS HB2 H 1 1.565 0.030 . 2 . . . . 11 LYS HB2 . 11383 1
24 . 1 1 11 11 LYS HB3 H 1 1.478 0.030 . 2 . . . . 11 LYS HB3 . 11383 1
25 . 1 1 11 11 LYS HD2 H 1 1.512 0.030 . 2 . . . . 11 LYS HD2 . 11383 1
26 . 1 1 11 11 LYS HE2 H 1 2.892 0.030 . 2 . . . . 11 LYS HE2 . 11383 1
27 . 1 1 11 11 LYS HG2 H 1 1.301 0.030 . 2 . . . . 11 LYS HG2 . 11383 1
28 . 1 1 11 11 LYS HG3 H 1 1.187 0.030 . 2 . . . . 11 LYS HG3 . 11383 1
29 . 1 1 11 11 LYS C C 13 173.902 0.300 . 1 . . . . 11 LYS C . 11383 1
30 . 1 1 11 11 LYS CA C 13 53.776 0.300 . 1 . . . . 11 LYS CA . 11383 1
31 . 1 1 11 11 LYS CB C 13 32.941 0.300 . 1 . . . . 11 LYS CB . 11383 1
32 . 1 1 11 11 LYS CD C 13 29.284 0.300 . 1 . . . . 11 LYS CD . 11383 1
33 . 1 1 11 11 LYS CE C 13 42.229 0.300 . 1 . . . . 11 LYS CE . 11383 1
34 . 1 1 11 11 LYS CG C 13 24.663 0.300 . 1 . . . . 11 LYS CG . 11383 1
35 . 1 1 11 11 LYS N N 15 121.744 0.300 . 1 . . . . 11 LYS N . 11383 1
36 . 1 1 12 12 PRO HA H 1 4.254 0.030 . 1 . . . . 12 PRO HA . 11383 1
37 . 1 1 12 12 PRO HB2 H 1 1.982 0.030 . 2 . . . . 12 PRO HB2 . 11383 1
38 . 1 1 12 12 PRO HB3 H 1 1.344 0.030 . 2 . . . . 12 PRO HB3 . 11383 1
39 . 1 1 12 12 PRO HD2 H 1 3.648 0.030 . 2 . . . . 12 PRO HD2 . 11383 1
40 . 1 1 12 12 PRO HD3 H 1 3.567 0.030 . 2 . . . . 12 PRO HD3 . 11383 1
41 . 1 1 12 12 PRO HG2 H 1 1.782 0.030 . 2 . . . . 12 PRO HG2 . 11383 1
42 . 1 1 12 12 PRO HG3 H 1 1.699 0.030 . 2 . . . . 12 PRO HG3 . 11383 1
43 . 1 1 12 12 PRO C C 13 176.113 0.300 . 1 . . . . 12 PRO C . 11383 1
44 . 1 1 12 12 PRO CA C 13 63.294 0.300 . 1 . . . . 12 PRO CA . 11383 1
45 . 1 1 12 12 PRO CB C 13 32.236 0.300 . 1 . . . . 12 PRO CB . 11383 1
46 . 1 1 12 12 PRO CD C 13 50.318 0.300 . 1 . . . . 12 PRO CD . 11383 1
47 . 1 1 12 12 PRO CG C 13 26.885 0.300 . 1 . . . . 12 PRO CG . 11383 1
48 . 1 1 13 13 TYR H H 1 7.992 0.030 . 1 . . . . 13 TYR H . 11383 1
49 . 1 1 13 13 TYR HA H 1 4.586 0.030 . 1 . . . . 13 TYR HA . 11383 1
50 . 1 1 13 13 TYR HB2 H 1 3.041 0.030 . 2 . . . . 13 TYR HB2 . 11383 1
51 . 1 1 13 13 TYR HB3 H 1 2.869 0.030 . 2 . . . . 13 TYR HB3 . 11383 1
52 . 1 1 13 13 TYR HD1 H 1 7.085 0.030 . 1 . . . . 13 TYR HD1 . 11383 1
53 . 1 1 13 13 TYR HD2 H 1 7.085 0.030 . 1 . . . . 13 TYR HD2 . 11383 1
54 . 1 1 13 13 TYR HE1 H 1 6.967 0.030 . 1 . . . . 13 TYR HE1 . 11383 1
55 . 1 1 13 13 TYR HE2 H 1 6.967 0.030 . 1 . . . . 13 TYR HE2 . 11383 1
56 . 1 1 13 13 TYR C C 13 174.681 0.300 . 1 . . . . 13 TYR C . 11383 1
57 . 1 1 13 13 TYR CA C 13 57.666 0.300 . 1 . . . . 13 TYR CA . 11383 1
58 . 1 1 13 13 TYR CB C 13 38.679 0.300 . 1 . . . . 13 TYR CB . 11383 1
59 . 1 1 13 13 TYR CD1 C 13 133.397 0.300 . 1 . . . . 13 TYR CD1 . 11383 1
60 . 1 1 13 13 TYR CD2 C 13 133.397 0.300 . 1 . . . . 13 TYR CD2 . 11383 1
61 . 1 1 13 13 TYR CE1 C 13 118.567 0.300 . 1 . . . . 13 TYR CE1 . 11383 1
62 . 1 1 13 13 TYR CE2 C 13 118.567 0.300 . 1 . . . . 13 TYR CE2 . 11383 1
63 . 1 1 13 13 TYR N N 15 118.648 0.300 . 1 . . . . 13 TYR N . 11383 1
64 . 1 1 14 14 GLU H H 1 8.555 0.030 . 1 . . . . 14 GLU H . 11383 1
65 . 1 1 14 14 GLU HA H 1 4.954 0.030 . 1 . . . . 14 GLU HA . 11383 1
66 . 1 1 14 14 GLU HB2 H 1 1.793 0.030 . 1 . . . . 14 GLU HB2 . 11383 1
67 . 1 1 14 14 GLU HB3 H 1 1.793 0.030 . 1 . . . . 14 GLU HB3 . 11383 1
68 . 1 1 14 14 GLU HG2 H 1 2.002 0.030 . 2 . . . . 14 GLU HG2 . 11383 1
69 . 1 1 14 14 GLU HG3 H 1 1.949 0.030 . 2 . . . . 14 GLU HG3 . 11383 1
70 . 1 1 14 14 GLU C C 13 174.978 0.300 . 1 . . . . 14 GLU C . 11383 1
71 . 1 1 14 14 GLU CA C 13 54.832 0.300 . 1 . . . . 14 GLU CA . 11383 1
72 . 1 1 14 14 GLU CB C 13 33.011 0.300 . 1 . . . . 14 GLU CB . 11383 1
73 . 1 1 14 14 GLU CG C 13 36.566 0.300 . 1 . . . . 14 GLU CG . 11383 1
74 . 1 1 14 14 GLU N N 15 123.675 0.300 . 1 . . . . 14 GLU N . 11383 1
75 . 1 1 15 15 CYS H H 1 9.153 0.030 . 1 . . . . 15 CYS H . 11383 1
76 . 1 1 15 15 CYS HA H 1 4.625 0.030 . 1 . . . . 15 CYS HA . 11383 1
77 . 1 1 15 15 CYS HB2 H 1 3.381 0.030 . 2 . . . . 15 CYS HB2 . 11383 1
78 . 1 1 15 15 CYS HB3 H 1 2.913 0.030 . 2 . . . . 15 CYS HB3 . 11383 1
79 . 1 1 15 15 CYS CA C 13 59.458 0.300 . 1 . . . . 15 CYS CA . 11383 1
80 . 1 1 15 15 CYS CB C 13 29.927 0.300 . 1 . . . . 15 CYS CB . 11383 1
81 . 1 1 15 15 CYS N N 15 126.161 0.300 . 1 . . . . 15 CYS N . 11383 1
82 . 1 1 16 16 ASN H H 1 9.540 0.030 . 1 . . . . 16 ASN H . 11383 1
83 . 1 1 16 16 ASN HA H 1 4.533 0.030 . 1 . . . . 16 ASN HA . 11383 1
84 . 1 1 16 16 ASN HB2 H 1 2.912 0.030 . 2 . . . . 16 ASN HB2 . 11383 1
85 . 1 1 16 16 ASN HB3 H 1 2.857 0.030 . 2 . . . . 16 ASN HB3 . 11383 1
86 . 1 1 16 16 ASN HD21 H 1 7.757 0.030 . 2 . . . . 16 ASN HD21 . 11383 1
87 . 1 1 16 16 ASN HD22 H 1 6.954 0.030 . 2 . . . . 16 ASN HD22 . 11383 1
88 . 1 1 16 16 ASN C C 13 175.251 0.300 . 1 . . . . 16 ASN C . 11383 1
89 . 1 1 16 16 ASN CA C 13 55.888 0.300 . 1 . . . . 16 ASN CA . 11383 1
90 . 1 1 16 16 ASN CB C 13 39.067 0.300 . 1 . . . . 16 ASN CB . 11383 1
91 . 1 1 16 16 ASN N N 15 130.867 0.300 . 1 . . . . 16 ASN N . 11383 1
92 . 1 1 16 16 ASN ND2 N 15 113.458 0.300 . 1 . . . . 16 ASN ND2 . 11383 1
93 . 1 1 17 17 GLU H H 1 8.830 0.030 . 1 . . . . 17 GLU H . 11383 1
94 . 1 1 17 17 GLU HA H 1 4.249 0.030 . 1 . . . . 17 GLU HA . 11383 1
95 . 1 1 17 17 GLU HB2 H 1 1.423 0.030 . 2 . . . . 17 GLU HB2 . 11383 1
96 . 1 1 17 17 GLU HB3 H 1 1.344 0.030 . 2 . . . . 17 GLU HB3 . 11383 1
97 . 1 1 17 17 GLU HG2 H 1 1.839 0.030 . 2 . . . . 17 GLU HG2 . 11383 1
98 . 1 1 17 17 GLU HG3 H 1 1.731 0.030 . 2 . . . . 17 GLU HG3 . 11383 1
99 . 1 1 17 17 GLU CA C 13 58.110 0.300 . 1 . . . . 17 GLU CA . 11383 1
100 . 1 1 17 17 GLU CB C 13 29.830 0.300 . 1 . . . . 17 GLU CB . 11383 1
101 . 1 1 17 17 GLU CG C 13 35.233 0.300 . 1 . . . . 17 GLU CG . 11383 1
102 . 1 1 17 17 GLU N N 15 120.576 0.300 . 1 . . . . 17 GLU N . 11383 1
103 . 1 1 18 18 CYS H H 1 8.101 0.030 . 1 . . . . 18 CYS H . 11383 1
104 . 1 1 18 18 CYS HA H 1 5.165 0.030 . 1 . . . . 18 CYS HA . 11383 1
105 . 1 1 18 18 CYS HB2 H 1 3.430 0.030 . 2 . . . . 18 CYS HB2 . 11383 1
106 . 1 1 18 18 CYS HB3 H 1 2.809 0.030 . 2 . . . . 18 CYS HB3 . 11383 1
107 . 1 1 18 18 CYS C C 13 177.227 0.300 . 1 . . . . 18 CYS C . 11383 1
108 . 1 1 18 18 CYS CA C 13 58.416 0.300 . 1 . . . . 18 CYS CA . 11383 1
109 . 1 1 18 18 CYS CB C 13 32.659 0.300 . 1 . . . . 18 CYS CB . 11383 1
110 . 1 1 18 18 CYS N N 15 115.298 0.300 . 1 . . . . 18 CYS N . 11383 1
111 . 1 1 19 19 GLY H H 1 8.087 0.030 . 1 . . . . 19 GLY H . 11383 1
112 . 1 1 19 19 GLY HA2 H 1 3.887 0.030 . 2 . . . . 19 GLY HA2 . 11383 1
113 . 1 1 19 19 GLY HA3 H 1 4.194 0.030 . 2 . . . . 19 GLY HA3 . 11383 1
114 . 1 1 19 19 GLY C C 13 173.585 0.300 . 1 . . . . 19 GLY C . 11383 1
115 . 1 1 19 19 GLY CA C 13 46.220 0.300 . 1 . . . . 19 GLY CA . 11383 1
116 . 1 1 19 19 GLY N N 15 113.271 0.300 . 1 . . . . 19 GLY N . 11383 1
117 . 1 1 20 20 LYS H H 1 7.970 0.030 . 1 . . . . 20 LYS H . 11383 1
118 . 1 1 20 20 LYS HA H 1 3.904 0.030 . 1 . . . . 20 LYS HA . 11383 1
119 . 1 1 20 20 LYS HB2 H 1 1.423 0.030 . 2 . . . . 20 LYS HB2 . 11383 1
120 . 1 1 20 20 LYS HB3 H 1 1.172 0.030 . 2 . . . . 20 LYS HB3 . 11383 1
121 . 1 1 20 20 LYS HD2 H 1 1.471 0.030 . 2 . . . . 20 LYS HD2 . 11383 1
122 . 1 1 20 20 LYS HD3 H 1 1.395 0.030 . 2 . . . . 20 LYS HD3 . 11383 1
123 . 1 1 20 20 LYS HE2 H 1 2.955 0.030 . 1 . . . . 20 LYS HE2 . 11383 1
124 . 1 1 20 20 LYS HE3 H 1 2.955 0.030 . 1 . . . . 20 LYS HE3 . 11383 1
125 . 1 1 20 20 LYS HG2 H 1 1.026 0.030 . 2 . . . . 20 LYS HG2 . 11383 1
126 . 1 1 20 20 LYS HG3 H 1 1.355 0.030 . 2 . . . . 20 LYS HG3 . 11383 1
127 . 1 1 20 20 LYS C C 13 173.741 0.300 . 1 . . . . 20 LYS C . 11383 1
128 . 1 1 20 20 LYS CA C 13 58.291 0.300 . 1 . . . . 20 LYS CA . 11383 1
129 . 1 1 20 20 LYS CB C 13 33.622 0.300 . 1 . . . . 20 LYS CB . 11383 1
130 . 1 1 20 20 LYS CD C 13 29.260 0.300 . 1 . . . . 20 LYS CD . 11383 1
131 . 1 1 20 20 LYS CE C 13 42.192 0.300 . 1 . . . . 20 LYS CE . 11383 1
132 . 1 1 20 20 LYS CG C 13 26.066 0.300 . 1 . . . . 20 LYS CG . 11383 1
133 . 1 1 20 20 LYS N N 15 123.162 0.300 . 1 . . . . 20 LYS N . 11383 1
134 . 1 1 21 21 ALA H H 1 7.738 0.030 . 1 . . . . 21 ALA H . 11383 1
135 . 1 1 21 21 ALA HA H 1 5.177 0.030 . 1 . . . . 21 ALA HA . 11383 1
136 . 1 1 21 21 ALA HB1 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1
137 . 1 1 21 21 ALA HB2 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1
138 . 1 1 21 21 ALA HB3 H 1 1.177 0.030 . 1 . . . . 21 ALA HB . 11383 1
139 . 1 1 21 21 ALA C C 13 176.572 0.300 . 1 . . . . 21 ALA C . 11383 1
140 . 1 1 21 21 ALA CA C 13 50.387 0.300 . 1 . . . . 21 ALA CA . 11383 1
141 . 1 1 21 21 ALA CB C 13 22.246 0.300 . 1 . . . . 21 ALA CB . 11383 1
142 . 1 1 21 21 ALA N N 15 124.208 0.300 . 1 . . . . 21 ALA N . 11383 1
143 . 1 1 22 22 PHE H H 1 8.752 0.030 . 1 . . . . 22 PHE H . 11383 1
144 . 1 1 22 22 PHE HA H 1 4.705 0.030 . 1 . . . . 22 PHE HA . 11383 1
145 . 1 1 22 22 PHE HB2 H 1 3.211 0.030 . 2 . . . . 22 PHE HB2 . 11383 1
146 . 1 1 22 22 PHE HB3 H 1 2.686 0.030 . 2 . . . . 22 PHE HB3 . 11383 1
147 . 1 1 22 22 PHE HD1 H 1 7.206 0.030 . 1 . . . . 22 PHE HD1 . 11383 1
148 . 1 1 22 22 PHE HD2 H 1 7.206 0.030 . 1 . . . . 22 PHE HD2 . 11383 1
149 . 1 1 22 22 PHE HE1 H 1 6.857 0.030 . 1 . . . . 22 PHE HE1 . 11383 1
150 . 1 1 22 22 PHE HE2 H 1 6.857 0.030 . 1 . . . . 22 PHE HE2 . 11383 1
151 . 1 1 22 22 PHE HZ H 1 6.296 0.030 . 1 . . . . 22 PHE HZ . 11383 1
152 . 1 1 22 22 PHE C C 13 175.826 0.300 . 1 . . . . 22 PHE C . 11383 1
153 . 1 1 22 22 PHE CA C 13 56.858 0.300 . 1 . . . . 22 PHE CA . 11383 1
154 . 1 1 22 22 PHE CB C 13 44.539 0.300 . 1 . . . . 22 PHE CB . 11383 1
155 . 1 1 22 22 PHE CD1 C 13 132.554 0.300 . 1 . . . . 22 PHE CD1 . 11383 1
156 . 1 1 22 22 PHE CD2 C 13 132.554 0.300 . 1 . . . . 22 PHE CD2 . 11383 1
157 . 1 1 22 22 PHE CE1 C 13 130.585 0.300 . 1 . . . . 22 PHE CE1 . 11383 1
158 . 1 1 22 22 PHE CE2 C 13 130.585 0.300 . 1 . . . . 22 PHE CE2 . 11383 1
159 . 1 1 22 22 PHE CZ C 13 128.683 0.300 . 1 . . . . 22 PHE CZ . 11383 1
160 . 1 1 22 22 PHE N N 15 116.981 0.300 . 1 . . . . 22 PHE N . 11383 1
161 . 1 1 23 23 ILE H H 1 8.844 0.030 . 1 . . . . 23 ILE H . 11383 1
162 . 1 1 23 23 ILE HA H 1 4.105 0.030 . 1 . . . . 23 ILE HA . 11383 1
163 . 1 1 23 23 ILE HB H 1 1.486 0.030 . 1 . . . . 23 ILE HB . 11383 1
164 . 1 1 23 23 ILE HD11 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1
165 . 1 1 23 23 ILE HD12 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1
166 . 1 1 23 23 ILE HD13 H 1 0.585 0.030 . 1 . . . . 23 ILE HD1 . 11383 1
167 . 1 1 23 23 ILE HG12 H 1 1.044 0.030 . 2 . . . . 23 ILE HG12 . 11383 1
168 . 1 1 23 23 ILE HG13 H 1 0.907 0.030 . 2 . . . . 23 ILE HG13 . 11383 1
169 . 1 1 23 23 ILE HG21 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1
170 . 1 1 23 23 ILE HG22 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1
171 . 1 1 23 23 ILE HG23 H 1 0.342 0.030 . 1 . . . . 23 ILE HG2 . 11383 1
172 . 1 1 23 23 ILE CA C 13 63.250 0.300 . 1 . . . . 23 ILE CA . 11383 1
173 . 1 1 23 23 ILE CB C 13 38.761 0.300 . 1 . . . . 23 ILE CB . 11383 1
174 . 1 1 23 23 ILE CD1 C 13 13.356 0.300 . 1 . . . . 23 ILE CD1 . 11383 1
175 . 1 1 23 23 ILE CG1 C 13 27.357 0.300 . 1 . . . . 23 ILE CG1 . 11383 1
176 . 1 1 23 23 ILE CG2 C 13 16.704 0.300 . 1 . . . . 23 ILE CG2 . 11383 1
177 . 1 1 23 23 ILE N N 15 118.046 0.300 . 1 . . . . 23 ILE N . 11383 1
178 . 1 1 24 24 TRP H H 1 6.678 0.030 . 1 . . . . 24 TRP H . 11383 1
179 . 1 1 24 24 TRP HA H 1 5.389 0.030 . 1 . . . . 24 TRP HA . 11383 1
180 . 1 1 24 24 TRP HB2 H 1 3.526 0.030 . 2 . . . . 24 TRP HB2 . 11383 1
181 . 1 1 24 24 TRP HB3 H 1 2.939 0.030 . 2 . . . . 24 TRP HB3 . 11383 1
182 . 1 1 24 24 TRP HD1 H 1 7.376 0.030 . 1 . . . . 24 TRP HD1 . 11383 1
183 . 1 1 24 24 TRP HE1 H 1 10.309 0.030 . 1 . . . . 24 TRP HE1 . 11383 1
184 . 1 1 24 24 TRP HE3 H 1 7.660 0.030 . 1 . . . . 24 TRP HE3 . 11383 1
185 . 1 1 24 24 TRP HH2 H 1 7.276 0.030 . 1 . . . . 24 TRP HH2 . 11383 1
186 . 1 1 24 24 TRP HZ2 H 1 7.531 0.030 . 1 . . . . 24 TRP HZ2 . 11383 1
187 . 1 1 24 24 TRP HZ3 H 1 7.219 0.030 . 1 . . . . 24 TRP HZ3 . 11383 1
188 . 1 1 24 24 TRP C C 13 176.541 0.300 . 1 . . . . 24 TRP C . 11383 1
189 . 1 1 24 24 TRP CA C 13 53.888 0.300 . 1 . . . . 24 TRP CA . 11383 1
190 . 1 1 24 24 TRP CB C 13 33.038 0.300 . 1 . . . . 24 TRP CB . 11383 1
191 . 1 1 24 24 TRP CD1 C 13 126.991 0.300 . 1 . . . . 24 TRP CD1 . 11383 1
192 . 1 1 24 24 TRP CE3 C 13 120.824 0.300 . 1 . . . . 24 TRP CE3 . 11383 1
193 . 1 1 24 24 TRP CH2 C 13 124.759 0.300 . 1 . . . . 24 TRP CH2 . 11383 1
194 . 1 1 24 24 TRP CZ2 C 13 114.740 0.300 . 1 . . . . 24 TRP CZ2 . 11383 1
195 . 1 1 24 24 TRP CZ3 C 13 121.950 0.300 . 1 . . . . 24 TRP CZ3 . 11383 1
196 . 1 1 24 24 TRP N N 15 114.873 0.300 . 1 . . . . 24 TRP N . 11383 1
197 . 1 1 24 24 TRP NE1 N 15 129.511 0.300 . 1 . . . . 24 TRP NE1 . 11383 1
198 . 1 1 25 25 LYS H H 1 8.666 0.030 . 1 . . . . 25 LYS H . 11383 1
199 . 1 1 25 25 LYS HA H 1 3.139 0.030 . 1 . . . . 25 LYS HA . 11383 1
200 . 1 1 25 25 LYS HB2 H 1 1.534 0.030 . 2 . . . . 25 LYS HB2 . 11383 1
201 . 1 1 25 25 LYS HB3 H 1 1.021 0.030 . 2 . . . . 25 LYS HB3 . 11383 1
202 . 1 1 25 25 LYS HD2 H 1 1.590 0.030 . 2 . . . . 25 LYS HD2 . 11383 1
203 . 1 1 25 25 LYS HD3 H 1 1.523 0.030 . 2 . . . . 25 LYS HD3 . 11383 1
204 . 1 1 25 25 LYS HE2 H 1 2.889 0.030 . 1 . . . . 25 LYS HE2 . 11383 1
205 . 1 1 25 25 LYS HE3 H 1 2.889 0.030 . 1 . . . . 25 LYS HE3 . 11383 1
206 . 1 1 25 25 LYS HG2 H 1 1.256 0.030 . 2 . . . . 25 LYS HG2 . 11383 1
207 . 1 1 25 25 LYS HG3 H 1 1.021 0.030 . 2 . . . . 25 LYS HG3 . 11383 1
208 . 1 1 25 25 LYS CA C 13 59.194 0.300 . 1 . . . . 25 LYS CA . 11383 1
209 . 1 1 25 25 LYS CB C 13 31.677 0.300 . 1 . . . . 25 LYS CB . 11383 1
210 . 1 1 25 25 LYS CD C 13 29.163 0.300 . 1 . . . . 25 LYS CD . 11383 1
211 . 1 1 25 25 LYS CE C 13 42.072 0.300 . 1 . . . . 25 LYS CE . 11383 1
212 . 1 1 25 25 LYS CG C 13 24.968 0.300 . 1 . . . . 25 LYS CG . 11383 1
213 . 1 1 25 25 LYS N N 15 127.574 0.300 . 1 . . . . 25 LYS N . 11383 1
214 . 1 1 26 26 SER H H 1 8.536 0.030 . 1 . . . . 26 SER H . 11383 1
215 . 1 1 26 26 SER HA H 1 3.923 0.030 . 1 . . . . 26 SER HA . 11383 1
216 . 1 1 26 26 SER HB2 H 1 3.856 0.030 . 2 . . . . 26 SER HB2 . 11383 1
217 . 1 1 26 26 SER HB3 H 1 3.813 0.030 . 2 . . . . 26 SER HB3 . 11383 1
218 . 1 1 26 26 SER C C 13 176.813 0.300 . 1 . . . . 26 SER C . 11383 1
219 . 1 1 26 26 SER CA C 13 60.958 0.300 . 1 . . . . 26 SER CA . 11383 1
220 . 1 1 26 26 SER CB C 13 61.319 0.300 . 1 . . . . 26 SER CB . 11383 1
221 . 1 1 26 26 SER N N 15 112.270 0.300 . 1 . . . . 26 SER N . 11383 1
222 . 1 1 27 27 LEU H H 1 6.803 0.030 . 1 . . . . 27 LEU H . 11383 1
223 . 1 1 27 27 LEU HA H 1 4.102 0.030 . 1 . . . . 27 LEU HA . 11383 1
224 . 1 1 27 27 LEU HB2 H 1 2.048 0.030 . 2 . . . . 27 LEU HB2 . 11383 1
225 . 1 1 27 27 LEU HB3 H 1 1.568 0.030 . 2 . . . . 27 LEU HB3 . 11383 1
226 . 1 1 27 27 LEU HD11 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1
227 . 1 1 27 27 LEU HD12 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1
228 . 1 1 27 27 LEU HD13 H 1 1.215 0.030 . 1 . . . . 27 LEU HD1 . 11383 1
229 . 1 1 27 27 LEU HD21 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1
230 . 1 1 27 27 LEU HD22 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1
231 . 1 1 27 27 LEU HD23 H 1 0.998 0.030 . 1 . . . . 27 LEU HD2 . 11383 1
232 . 1 1 27 27 LEU HG H 1 1.919 0.030 . 1 . . . . 27 LEU HG . 11383 1
233 . 1 1 27 27 LEU C C 13 179.174 0.300 . 1 . . . . 27 LEU C . 11383 1
234 . 1 1 27 27 LEU CA C 13 56.568 0.300 . 1 . . . . 27 LEU CA . 11383 1
235 . 1 1 27 27 LEU CB C 13 42.067 0.300 . 1 . . . . 27 LEU CB . 11383 1
236 . 1 1 27 27 LEU CD1 C 13 26.607 0.300 . 2 . . . . 27 LEU CD1 . 11383 1
237 . 1 1 27 27 LEU CD2 C 13 22.218 0.300 . 2 . . . . 27 LEU CD2 . 11383 1
238 . 1 1 27 27 LEU CG C 13 27.357 0.300 . 1 . . . . 27 LEU CG . 11383 1
239 . 1 1 27 27 LEU N N 15 120.209 0.300 . 1 . . . . 27 LEU N . 11383 1
240 . 1 1 28 28 LEU H H 1 7.022 0.030 . 1 . . . . 28 LEU H . 11383 1
241 . 1 1 28 28 LEU HA H 1 3.244 0.030 . 1 . . . . 28 LEU HA . 11383 1
242 . 1 1 28 28 LEU HB2 H 1 2.067 0.030 . 2 . . . . 28 LEU HB2 . 11383 1
243 . 1 1 28 28 LEU HB3 H 1 1.243 0.030 . 2 . . . . 28 LEU HB3 . 11383 1
244 . 1 1 28 28 LEU HD11 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1
245 . 1 1 28 28 LEU HD12 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1
246 . 1 1 28 28 LEU HD13 H 1 0.976 0.030 . 1 . . . . 28 LEU HD1 . 11383 1
247 . 1 1 28 28 LEU HD21 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1
248 . 1 1 28 28 LEU HD22 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1
249 . 1 1 28 28 LEU HD23 H 1 1.031 0.030 . 1 . . . . 28 LEU HD2 . 11383 1
250 . 1 1 28 28 LEU HG H 1 1.578 0.030 . 1 . . . . 28 LEU HG . 11383 1
251 . 1 1 28 28 LEU C C 13 177.447 0.300 . 1 . . . . 28 LEU C . 11383 1
252 . 1 1 28 28 LEU CA C 13 57.805 0.300 . 1 . . . . 28 LEU CA . 11383 1
253 . 1 1 28 28 LEU CB C 13 40.345 0.300 . 1 . . . . 28 LEU CB . 11383 1
254 . 1 1 28 28 LEU CD1 C 13 26.764 0.300 . 2 . . . . 28 LEU CD1 . 11383 1
255 . 1 1 28 28 LEU CD2 C 13 22.843 0.300 . 2 . . . . 28 LEU CD2 . 11383 1
256 . 1 1 28 28 LEU CG C 13 27.371 0.300 . 1 . . . . 28 LEU CG . 11383 1
257 . 1 1 28 28 LEU N N 15 122.646 0.300 . 1 . . . . 28 LEU N . 11383 1
258 . 1 1 29 29 ILE H H 1 8.031 0.030 . 1 . . . . 29 ILE H . 11383 1
259 . 1 1 29 29 ILE HA H 1 3.752 0.030 . 1 . . . . 29 ILE HA . 11383 1
260 . 1 1 29 29 ILE HB H 1 1.790 0.030 . 1 . . . . 29 ILE HB . 11383 1
261 . 1 1 29 29 ILE HD11 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1
262 . 1 1 29 29 ILE HD12 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1
263 . 1 1 29 29 ILE HD13 H 1 0.765 0.030 . 1 . . . . 29 ILE HD1 . 11383 1
264 . 1 1 29 29 ILE HG12 H 1 1.537 0.030 . 2 . . . . 29 ILE HG12 . 11383 1
265 . 1 1 29 29 ILE HG13 H 1 1.193 0.030 . 2 . . . . 29 ILE HG13 . 11383 1
266 . 1 1 29 29 ILE HG21 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1
267 . 1 1 29 29 ILE HG22 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1
268 . 1 1 29 29 ILE HG23 H 1 0.865 0.030 . 1 . . . . 29 ILE HG2 . 11383 1
269 . 1 1 29 29 ILE C C 13 178.937 0.300 . 1 . . . . 29 ILE C . 11383 1
270 . 1 1 29 29 ILE CA C 13 64.819 0.300 . 1 . . . . 29 ILE CA . 11383 1
271 . 1 1 29 29 ILE CB C 13 37.775 0.300 . 1 . . . . 29 ILE CB . 11383 1
272 . 1 1 29 29 ILE CD1 C 13 13.036 0.300 . 1 . . . . 29 ILE CD1 . 11383 1
273 . 1 1 29 29 ILE CG1 C 13 28.802 0.300 . 1 . . . . 29 ILE CG1 . 11383 1
274 . 1 1 29 29 ILE CG2 C 13 17.051 0.300 . 1 . . . . 29 ILE CG2 . 11383 1
275 . 1 1 29 29 ILE N N 15 118.866 0.300 . 1 . . . . 29 ILE N . 11383 1
276 . 1 1 30 30 VAL H H 1 7.017 0.030 . 1 . . . . 30 VAL H . 11383 1
277 . 1 1 30 30 VAL HA H 1 3.551 0.030 . 1 . . . . 30 VAL HA . 11383 1
278 . 1 1 30 30 VAL HB H 1 1.932 0.030 . 1 . . . . 30 VAL HB . 11383 1
279 . 1 1 30 30 VAL HG11 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1
280 . 1 1 30 30 VAL HG12 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1
281 . 1 1 30 30 VAL HG13 H 1 1.063 0.030 . 1 . . . . 30 VAL HG1 . 11383 1
282 . 1 1 30 30 VAL HG21 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1
283 . 1 1 30 30 VAL HG22 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1
284 . 1 1 30 30 VAL HG23 H 1 0.933 0.030 . 1 . . . . 30 VAL HG2 . 11383 1
285 . 1 1 30 30 VAL C C 13 178.717 0.300 . 1 . . . . 30 VAL C . 11383 1
286 . 1 1 30 30 VAL CA C 13 66.444 0.300 . 1 . . . . 30 VAL CA . 11383 1
287 . 1 1 30 30 VAL CB C 13 32.136 0.300 . 1 . . . . 30 VAL CB . 11383 1
288 . 1 1 30 30 VAL CG1 C 13 22.412 0.300 . 2 . . . . 30 VAL CG1 . 11383 1
289 . 1 1 30 30 VAL CG2 C 13 21.273 0.300 . 2 . . . . 30 VAL CG2 . 11383 1
290 . 1 1 30 30 VAL N N 15 117.766 0.300 . 1 . . . . 30 VAL N . 11383 1
291 . 1 1 31 31 HIS H H 1 7.573 0.030 . 1 . . . . 31 HIS H . 11383 1
292 . 1 1 31 31 HIS HA H 1 4.229 0.030 . 1 . . . . 31 HIS HA . 11383 1
293 . 1 1 31 31 HIS HB2 H 1 2.909 0.030 . 2 . . . . 31 HIS HB2 . 11383 1
294 . 1 1 31 31 HIS HB3 H 1 3.136 0.030 . 2 . . . . 31 HIS HB3 . 11383 1
295 . 1 1 31 31 HIS HD2 H 1 7.007 0.030 . 1 . . . . 31 HIS HD2 . 11383 1
296 . 1 1 31 31 HIS HE1 H 1 7.973 0.030 . 1 . . . . 31 HIS HE1 . 11383 1
297 . 1 1 31 31 HIS C C 13 178.317 0.300 . 1 . . . . 31 HIS C . 11383 1
298 . 1 1 31 31 HIS CA C 13 59.527 0.300 . 1 . . . . 31 HIS CA . 11383 1
299 . 1 1 31 31 HIS CB C 13 28.552 0.300 . 1 . . . . 31 HIS CB . 11383 1
300 . 1 1 31 31 HIS CD2 C 13 127.537 0.300 . 1 . . . . 31 HIS CD2 . 11383 1
301 . 1 1 31 31 HIS CE1 C 13 139.520 0.300 . 1 . . . . 31 HIS CE1 . 11383 1
302 . 1 1 31 31 HIS N N 15 119.721 0.300 . 1 . . . . 31 HIS N . 11383 1
303 . 1 1 32 32 GLU H H 1 9.177 0.030 . 1 . . . . 32 GLU H . 11383 1
304 . 1 1 32 32 GLU HA H 1 3.752 0.030 . 1 . . . . 32 GLU HA . 11383 1
305 . 1 1 32 32 GLU HB2 H 1 2.282 0.030 . 2 . . . . 32 GLU HB2 . 11383 1
306 . 1 1 32 32 GLU HB3 H 1 2.126 0.030 . 2 . . . . 32 GLU HB3 . 11383 1
307 . 1 1 32 32 GLU HG2 H 1 2.752 0.030 . 2 . . . . 32 GLU HG2 . 11383 1
308 . 1 1 32 32 GLU HG3 H 1 2.633 0.030 . 2 . . . . 32 GLU HG3 . 11383 1
309 . 1 1 32 32 GLU C C 13 178.837 0.300 . 1 . . . . 32 GLU C . 11383 1
310 . 1 1 32 32 GLU CA C 13 60.543 0.300 . 1 . . . . 32 GLU CA . 11383 1
311 . 1 1 32 32 GLU CB C 13 29.760 0.300 . 1 . . . . 32 GLU CB . 11383 1
312 . 1 1 32 32 GLU CG C 13 37.872 0.300 . 1 . . . . 32 GLU CG . 11383 1
313 . 1 1 32 32 GLU N N 15 121.502 0.300 . 1 . . . . 32 GLU N . 11383 1
314 . 1 1 33 33 ARG H H 1 7.248 0.030 . 1 . . . . 33 ARG H . 11383 1
315 . 1 1 33 33 ARG HA H 1 4.139 0.030 . 1 . . . . 33 ARG HA . 11383 1
316 . 1 1 33 33 ARG HB2 H 1 1.970 0.030 . 2 . . . . 33 ARG HB2 . 11383 1
317 . 1 1 33 33 ARG HB3 H 1 1.889 0.030 . 2 . . . . 33 ARG HB3 . 11383 1
318 . 1 1 33 33 ARG HD2 H 1 3.197 0.030 . 1 . . . . 33 ARG HD2 . 11383 1
319 . 1 1 33 33 ARG HD3 H 1 3.197 0.030 . 1 . . . . 33 ARG HD3 . 11383 1
320 . 1 1 33 33 ARG HG2 H 1 1.728 0.030 . 2 . . . . 33 ARG HG2 . 11383 1
321 . 1 1 33 33 ARG HG3 H 1 1.909 0.030 . 2 . . . . 33 ARG HG3 . 11383 1
322 . 1 1 33 33 ARG CA C 13 58.513 0.300 . 1 . . . . 33 ARG CA . 11383 1
323 . 1 1 33 33 ARG CB C 13 29.996 0.300 . 1 . . . . 33 ARG CB . 11383 1
324 . 1 1 33 33 ARG CD C 13 43.734 0.300 . 1 . . . . 33 ARG CD . 11383 1
325 . 1 1 33 33 ARG CG C 13 27.593 0.300 . 1 . . . . 33 ARG CG . 11383 1
326 . 1 1 33 33 ARG N N 15 117.046 0.300 . 1 . . . . 33 ARG N . 11383 1
327 . 1 1 34 34 THR H H 1 7.821 0.030 . 1 . . . . 34 THR H . 11383 1
328 . 1 1 34 34 THR HA H 1 4.114 0.030 . 1 . . . . 34 THR HA . 11383 1
329 . 1 1 34 34 THR HB H 1 4.018 0.030 . 1 . . . . 34 THR HB . 11383 1
330 . 1 1 34 34 THR HG21 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1
331 . 1 1 34 34 THR HG22 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1
332 . 1 1 34 34 THR HG23 H 1 1.181 0.030 . 1 . . . . 34 THR HG2 . 11383 1
333 . 1 1 34 34 THR C C 13 175.695 0.300 . 1 . . . . 34 THR C . 11383 1
334 . 1 1 34 34 THR CA C 13 64.027 0.300 . 1 . . . . 34 THR CA . 11383 1
335 . 1 1 34 34 THR CB C 13 69.347 0.300 . 1 . . . . 34 THR CB . 11383 1
336 . 1 1 34 34 THR CG2 C 13 21.037 0.300 . 1 . . . . 34 THR CG2 . 11383 1
337 . 1 1 34 34 THR N N 15 109.934 0.300 . 1 . . . . 34 THR N . 11383 1
338 . 1 1 35 35 HIS H H 1 7.082 0.030 . 1 . . . . 35 HIS H . 11383 1
339 . 1 1 35 35 HIS HA H 1 4.749 0.030 . 1 . . . . 35 HIS HA . 11383 1
340 . 1 1 35 35 HIS HB2 H 1 3.310 0.030 . 2 . . . . 35 HIS HB2 . 11383 1
341 . 1 1 35 35 HIS HB3 H 1 3.138 0.030 . 2 . . . . 35 HIS HB3 . 11383 1
342 . 1 1 35 35 HIS HD2 H 1 6.690 0.030 . 1 . . . . 35 HIS HD2 . 11383 1
343 . 1 1 35 35 HIS HE1 H 1 8.004 0.030 . 1 . . . . 35 HIS HE1 . 11383 1
344 . 1 1 35 35 HIS C C 13 174.781 0.300 . 1 . . . . 35 HIS C . 11383 1
345 . 1 1 35 35 HIS CA C 13 55.263 0.300 . 1 . . . . 35 HIS CA . 11383 1
346 . 1 1 35 35 HIS CB C 13 28.691 0.300 . 1 . . . . 35 HIS CB . 11383 1
347 . 1 1 35 35 HIS CD2 C 13 127.339 0.300 . 1 . . . . 35 HIS CD2 . 11383 1
348 . 1 1 35 35 HIS CE1 C 13 139.859 0.300 . 1 . . . . 35 HIS CE1 . 11383 1
349 . 1 1 35 35 HIS N N 15 118.517 0.300 . 1 . . . . 35 HIS N . 11383 1
350 . 1 1 36 36 ALA H H 1 7.656 0.030 . 1 . . . . 36 ALA H . 11383 1
351 . 1 1 36 36 ALA HA H 1 4.357 0.030 . 1 . . . . 36 ALA HA . 11383 1
352 . 1 1 36 36 ALA HB1 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1
353 . 1 1 36 36 ALA HB2 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1
354 . 1 1 36 36 ALA HB3 H 1 1.452 0.030 . 1 . . . . 36 ALA HB . 11383 1
355 . 1 1 36 36 ALA CA C 13 52.901 0.300 . 1 . . . . 36 ALA CA . 11383 1
356 . 1 1 36 36 ALA CB C 13 19.383 0.300 . 1 . . . . 36 ALA CB . 11383 1
357 . 1 1 36 36 ALA N N 15 122.991 0.300 . 1 . . . . 36 ALA N . 11383 1
358 . 1 1 37 37 GLY H H 1 8.255 0.030 . 1 . . . . 37 GLY H . 11383 1
359 . 1 1 37 37 GLY HA2 H 1 3.972 0.030 . 2 . . . . 37 GLY HA2 . 11383 1
360 . 1 1 37 37 GLY C C 13 174.191 0.300 . 1 . . . . 37 GLY C . 11383 1
361 . 1 1 37 37 GLY CA C 13 45.401 0.300 . 1 . . . . 37 GLY CA . 11383 1
362 . 1 1 37 37 GLY N N 15 107.927 0.300 . 1 . . . . 37 GLY N . 11383 1
363 . 1 1 38 38 VAL H H 1 7.953 0.030 . 1 . . . . 38 VAL H . 11383 1
364 . 1 1 38 38 VAL HA H 1 4.197 0.030 . 1 . . . . 38 VAL HA . 11383 1
365 . 1 1 38 38 VAL HB H 1 2.116 0.030 . 1 . . . . 38 VAL HB . 11383 1
366 . 1 1 38 38 VAL HG11 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1
367 . 1 1 38 38 VAL HG12 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1
368 . 1 1 38 38 VAL HG13 H 1 0.918 0.030 . 1 . . . . 38 VAL HG1 . 11383 1
369 . 1 1 38 38 VAL C C 13 176.319 0.300 . 1 . . . . 38 VAL C . 11383 1
370 . 1 1 38 38 VAL CA C 13 62.249 0.300 . 1 . . . . 38 VAL CA . 11383 1
371 . 1 1 38 38 VAL CB C 13 32.858 0.300 . 1 . . . . 38 VAL CB . 11383 1
372 . 1 1 38 38 VAL CG1 C 13 20.329 0.300 . 2 . . . . 38 VAL CG1 . 11383 1
373 . 1 1 38 38 VAL N N 15 118.844 0.300 . 1 . . . . 38 VAL N . 11383 1
374 . 1 1 39 39 SER H H 1 8.415 0.030 . 1 . . . . 39 SER H . 11383 1
375 . 1 1 39 39 SER HA H 1 4.502 0.030 . 1 . . . . 39 SER HA . 11383 1
376 . 1 1 39 39 SER HB2 H 1 3.850 0.030 . 2 . . . . 39 SER HB2 . 11383 1
377 . 1 1 39 39 SER CA C 13 58.206 0.300 . 1 . . . . 39 SER CA . 11383 1
378 . 1 1 39 39 SER CB C 13 64.022 0.300 . 1 . . . . 39 SER CB . 11383 1
379 . 1 1 39 39 SER N N 15 119.340 0.300 . 1 . . . . 39 SER N . 11383 1
380 . 1 1 40 40 GLY H H 1 8.214 0.030 . 1 . . . . 40 GLY H . 11383 1
381 . 1 1 40 40 GLY HA2 H 1 4.160 0.030 . 2 . . . . 40 GLY HA2 . 11383 1
382 . 1 1 40 40 GLY HA3 H 1 4.077 0.030 . 2 . . . . 40 GLY HA3 . 11383 1
383 . 1 1 40 40 GLY CA C 13 44.692 0.300 . 1 . . . . 40 GLY CA . 11383 1
384 . 1 1 40 40 GLY N N 15 110.738 0.300 . 1 . . . . 40 GLY N . 11383 1
385 . 1 1 41 41 PRO HA H 1 4.474 0.030 . 1 . . . . 41 PRO HA . 11383 1
386 . 1 1 41 41 PRO HB2 H 1 2.287 0.030 . 1 . . . . 41 PRO HB2 . 11383 1
387 . 1 1 41 41 PRO HB3 H 1 2.287 0.030 . 1 . . . . 41 PRO HB3 . 11383 1
388 . 1 1 41 41 PRO HD2 H 1 3.618 0.030 . 1 . . . . 41 PRO HD2 . 11383 1
389 . 1 1 41 41 PRO HD3 H 1 3.618 0.030 . 1 . . . . 41 PRO HD3 . 11383 1
390 . 1 1 41 41 PRO HG2 H 1 2.010 0.030 . 1 . . . . 41 PRO HG2 . 11383 1
391 . 1 1 41 41 PRO HG3 H 1 2.010 0.030 . 1 . . . . 41 PRO HG3 . 11383 1
392 . 1 1 41 41 PRO CA C 13 63.294 0.300 . 1 . . . . 41 PRO CA . 11383 1
393 . 1 1 41 41 PRO CB C 13 32.274 0.300 . 1 . . . . 41 PRO CB . 11383 1
394 . 1 1 41 41 PRO CD C 13 49.804 0.300 . 1 . . . . 41 PRO CD . 11383 1
395 . 1 1 41 41 PRO CG C 13 27.121 0.300 . 1 . . . . 41 PRO CG . 11383 1
396 . 1 1 42 42 SER H H 1 8.515 0.030 . 1 . . . . 42 SER H . 11383 1
397 . 1 1 42 42 SER C C 13 174.584 0.300 . 1 . . . . 42 SER C . 11383 1
398 . 1 1 42 42 SER CA C 13 58.384 0.300 . 1 . . . . 42 SER CA . 11383 1
399 . 1 1 42 42 SER CB C 13 64.007 0.300 . 1 . . . . 42 SER CB . 11383 1
400 . 1 1 42 42 SER N N 15 116.429 0.300 . 1 . . . . 42 SER N . 11383 1
stop_
save_