###################################
# 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 18946
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-13C NOESY aliphatic' . . . 18946 1
2 '3D 1H-13C NOESY aromatic' . . . 18946 1
3 '3D 1H-15N NOESY' . . . 18946 1
4 '3D HNCO' . . . 18946 1
5 '3D HNCACB' . . . 18946 1
6 '3D CBCA(CO)NH' . . . 18946 1
7 '3D C(CO)NH' . . . 18946 1
8 '3D H(CCO)NH' . . . 18946 1
9 '4D HC(CO)NH' . . . 18946 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 SER HA H 1 4.204 0.02 . 1 . . . A 1 SER HA . 18946 1
2 . 1 1 1 1 SER HB2 H 1 3.997 0.02 . 1 . . . A 1 SER HB2 . 18946 1
3 . 1 1 1 1 SER HB3 H 1 3.997 0.02 . 1 . . . A 1 SER HB3 . 18946 1
4 . 1 1 1 1 SER CB C 13 63.442 0.30 . 1 . . . A 1 SER CB . 18946 1
5 . 1 1 2 2 CYS HA H 1 4.714 0.02 . 1 . . . A 2 CYS HA . 18946 1
6 . 1 1 2 2 CYS HB2 H 1 3.178 0.02 . 2 . . . A 2 CYS HB2 . 18946 1
7 . 1 1 2 2 CYS HB3 H 1 2.877 0.02 . 2 . . . A 2 CYS HB3 . 18946 1
8 . 1 1 2 2 CYS C C 13 173.194 0.30 . 1 . . . A 2 CYS C . 18946 1
9 . 1 1 2 2 CYS CA C 13 54.527 0.30 . 1 . . . A 2 CYS CA . 18946 1
10 . 1 1 2 2 CYS CB C 13 42.266 0.30 . 1 . . . A 2 CYS CB . 18946 1
11 . 1 1 3 3 ASN H H 1 9.165 0.02 . 1 . . . A 3 ASN H . 18946 1
12 . 1 1 3 3 ASN HA H 1 5.231 0.02 . 1 . . . A 3 ASN HA . 18946 1
13 . 1 1 3 3 ASN HB2 H 1 3.053 0.02 . 2 . . . A 3 ASN HB2 . 18946 1
14 . 1 1 3 3 ASN HB3 H 1 2.817 0.02 . 2 . . . A 3 ASN HB3 . 18946 1
15 . 1 1 3 3 ASN HD21 H 1 8.003 0.02 . 2 . . . A 3 ASN HD21 . 18946 1
16 . 1 1 3 3 ASN HD22 H 1 7.013 0.02 . 2 . . . A 3 ASN HD22 . 18946 1
17 . 1 1 3 3 ASN C C 13 175.422 0.30 . 1 . . . A 3 ASN C . 18946 1
18 . 1 1 3 3 ASN CA C 13 52.515 0.30 . 1 . . . A 3 ASN CA . 18946 1
19 . 1 1 3 3 ASN CB C 13 39.858 0.30 . 1 . . . A 3 ASN CB . 18946 1
20 . 1 1 3 3 ASN N N 15 118.989 0.20 . 1 . . . A 3 ASN N . 18946 1
21 . 1 1 3 3 ASN ND2 N 15 114.264 0.20 . 1 . . . A 3 ASN ND2 . 18946 1
22 . 1 1 4 4 SER H H 1 8.840 0.02 . 1 . . . A 4 SER H . 18946 1
23 . 1 1 4 4 SER HA H 1 4.368 0.02 . 1 . . . A 4 SER HA . 18946 1
24 . 1 1 4 4 SER HB2 H 1 3.993 0.02 . 1 . . . A 4 SER HB2 . 18946 1
25 . 1 1 4 4 SER HB3 H 1 3.993 0.02 . 1 . . . A 4 SER HB3 . 18946 1
26 . 1 1 4 4 SER C C 13 174.380 0.30 . 1 . . . A 4 SER C . 18946 1
27 . 1 1 4 4 SER CA C 13 58.144 0.30 . 1 . . . A 4 SER CA . 18946 1
28 . 1 1 4 4 SER CB C 13 64.959 0.30 . 1 . . . A 4 SER CB . 18946 1
29 . 1 1 4 4 SER N N 15 118.061 0.20 . 1 . . . A 4 SER N . 18946 1
30 . 1 1 5 5 LYS H H 1 8.570 0.02 . 1 . . . A 5 LYS H . 18946 1
31 . 1 1 5 5 LYS HA H 1 3.793 0.02 . 1 . . . A 5 LYS HA . 18946 1
32 . 1 1 5 5 LYS HB2 H 1 1.772 0.02 . 2 . . . A 5 LYS HB2 . 18946 1
33 . 1 1 5 5 LYS HB3 H 1 1.678 0.02 . 2 . . . A 5 LYS HB3 . 18946 1
34 . 1 1 5 5 LYS HG2 H 1 1.288 0.02 . 1 . . . A 5 LYS HG2 . 18946 1
35 . 1 1 5 5 LYS HG3 H 1 1.288 0.02 . 1 . . . A 5 LYS HG3 . 18946 1
36 . 1 1 5 5 LYS HD2 H 1 1.505 0.02 . 2 . . . A 5 LYS HD2 . 18946 1
37 . 1 1 5 5 LYS HD3 H 1 1.512 0.02 . 2 . . . A 5 LYS HD3 . 18946 1
38 . 1 1 5 5 LYS HE2 H 1 2.852 0.02 . 2 . . . A 5 LYS HE2 . 18946 1
39 . 1 1 5 5 LYS HE3 H 1 2.822 0.02 . 2 . . . A 5 LYS HE3 . 18946 1
40 . 1 1 5 5 LYS C C 13 176.787 0.30 . 1 . . . A 5 LYS C . 18946 1
41 . 1 1 5 5 LYS CA C 13 57.710 0.30 . 1 . . . A 5 LYS CA . 18946 1
42 . 1 1 5 5 LYS CB C 13 32.685 0.30 . 1 . . . A 5 LYS CB . 18946 1
43 . 1 1 5 5 LYS CG C 13 23.940 0.30 . 1 . . . A 5 LYS CG . 18946 1
44 . 1 1 5 5 LYS CD C 13 29.809 0.30 . 1 . . . A 5 LYS CD . 18946 1
45 . 1 1 5 5 LYS CE C 13 42.024 0.30 . 1 . . . A 5 LYS CE . 18946 1
46 . 1 1 5 5 LYS N N 15 123.179 0.20 . 1 . . . A 5 LYS N . 18946 1
47 . 1 1 6 6 GLY H H 1 9.218 0.02 . 1 . . . A 6 GLY H . 18946 1
48 . 1 1 6 6 GLY HA2 H 1 4.463 0.02 . 2 . . . A 6 GLY HA2 . 18946 1
49 . 1 1 6 6 GLY HA3 H 1 3.680 0.02 . 2 . . . A 6 GLY HA3 . 18946 1
50 . 1 1 6 6 GLY C C 13 173.787 0.30 . 1 . . . A 6 GLY C . 18946 1
51 . 1 1 6 6 GLY CA C 13 44.885 0.30 . 1 . . . A 6 GLY CA . 18946 1
52 . 1 1 6 6 GLY N N 15 113.621 0.20 . 1 . . . A 6 GLY N . 18946 1
53 . 1 1 7 7 THR H H 1 7.693 0.02 . 1 . . . A 7 THR H . 18946 1
54 . 1 1 7 7 THR HA H 1 4.470 0.02 . 1 . . . A 7 THR HA . 18946 1
55 . 1 1 7 7 THR HB H 1 3.980 0.02 . 1 . . . A 7 THR HB . 18946 1
56 . 1 1 7 7 THR HG1 H 1 5.538 0.02 . 1 . . . A 7 THR HG1 . 18946 1
57 . 1 1 7 7 THR HG21 H 1 1.381 0.02 . 1 . . . A 7 THR HG21 . 18946 1
58 . 1 1 7 7 THR HG22 H 1 1.381 0.02 . 1 . . . A 7 THR HG22 . 18946 1
59 . 1 1 7 7 THR HG23 H 1 1.381 0.02 . 1 . . . A 7 THR HG23 . 18946 1
60 . 1 1 7 7 THR C C 13 175.386 0.30 . 1 . . . A 7 THR C . 18946 1
61 . 1 1 7 7 THR CA C 13 61.528 0.30 . 1 . . . A 7 THR CA . 18946 1
62 . 1 1 7 7 THR CB C 13 70.004 0.30 . 1 . . . A 7 THR CB . 18946 1
63 . 1 1 7 7 THR CG2 C 13 21.059 0.30 . 1 . . . A 7 THR CG2 . 18946 1
64 . 1 1 7 7 THR N N 15 117.669 0.20 . 1 . . . A 7 THR N . 18946 1
65 . 1 1 8 8 PRO HA H 1 4.846 0.02 . 1 . . . A 8 PRO HA . 18946 1
66 . 1 1 8 8 PRO HB2 H 1 2.392 0.02 . 2 . . . A 8 PRO HB2 . 18946 1
67 . 1 1 8 8 PRO HB3 H 1 1.820 0.02 . 2 . . . A 8 PRO HB3 . 18946 1
68 . 1 1 8 8 PRO HG2 H 1 2.138 0.02 . 2 . . . A 8 PRO HG2 . 18946 1
69 . 1 1 8 8 PRO HG3 H 1 1.931 0.02 . 2 . . . A 8 PRO HG3 . 18946 1
70 . 1 1 8 8 PRO HD2 H 1 4.094 0.02 . 2 . . . A 8 PRO HD2 . 18946 1
71 . 1 1 8 8 PRO HD3 H 1 3.675 0.02 . 2 . . . A 8 PRO HD3 . 18946 1
72 . 1 1 8 8 PRO CA C 13 63.715 0.30 . 1 . . . A 8 PRO CA . 18946 1
73 . 1 1 8 8 PRO CB C 13 32.544 0.30 . 1 . . . A 8 PRO CB . 18946 1
74 . 1 1 8 8 PRO CG C 13 28.169 0.30 . 1 . . . A 8 PRO CG . 18946 1
75 . 1 1 8 8 PRO CD C 13 51.411 0.30 . 1 . . . A 8 PRO CD . 18946 1
76 . 1 1 9 9 CYS H H 1 8.053 0.02 . 1 . . . A 9 CYS H . 18946 1
77 . 1 1 9 9 CYS HA H 1 4.981 0.02 . 1 . . . A 9 CYS HA . 18946 1
78 . 1 1 9 9 CYS HB2 H 1 3.022 0.02 . 1 . . . A 9 CYS HB2 . 18946 1
79 . 1 1 9 9 CYS HB3 H 1 3.266 0.02 . 1 . . . A 9 CYS HB3 . 18946 1
80 . 1 1 9 9 CYS C C 13 172.530 0.30 . 1 . . . A 9 CYS C . 18946 1
81 . 1 1 9 9 CYS CA C 13 53.720 0.30 . 1 . . . A 9 CYS CA . 18946 1
82 . 1 1 9 9 CYS CB C 13 48.546 0.30 . 1 . . . A 9 CYS CB . 18946 1
83 . 1 1 9 9 CYS N N 15 117.953 0.20 . 1 . . . A 9 CYS N . 18946 1
84 . 1 1 10 10 THR H H 1 9.547 0.02 . 1 . . . A 10 THR H . 18946 1
85 . 1 1 10 10 THR HA H 1 4.229 0.02 . 1 . . . A 10 THR HA . 18946 1
86 . 1 1 10 10 THR HB H 1 4.167 0.02 . 1 . . . A 10 THR HB . 18946 1
87 . 1 1 10 10 THR HG21 H 1 1.153 0.02 . 1 . . . A 10 THR HG21 . 18946 1
88 . 1 1 10 10 THR HG22 H 1 1.153 0.02 . 1 . . . A 10 THR HG22 . 18946 1
89 . 1 1 10 10 THR HG23 H 1 1.153 0.02 . 1 . . . A 10 THR HG23 . 18946 1
90 . 1 1 10 10 THR C C 13 173.661 0.30 . 1 . . . A 10 THR C . 18946 1
91 . 1 1 10 10 THR CA C 13 63.650 0.30 . 1 . . . A 10 THR CA . 18946 1
92 . 1 1 10 10 THR CB C 13 70.040 0.30 . 1 . . . A 10 THR CB . 18946 1
93 . 1 1 10 10 THR CG2 C 13 21.584 0.30 . 1 . . . A 10 THR CG2 . 18946 1
94 . 1 1 10 10 THR N N 15 113.269 0.20 . 1 . . . A 10 THR N . 18946 1
95 . 1 1 11 11 ASN H H 1 8.256 0.02 . 1 . . . A 11 ASN H . 18946 1
96 . 1 1 11 11 ASN HA H 1 4.844 0.02 . 1 . . . A 11 ASN HA . 18946 1
97 . 1 1 11 11 ASN HB2 H 1 2.852 0.02 . 2 . . . A 11 ASN HB2 . 18946 1
98 . 1 1 11 11 ASN HB3 H 1 2.742 0.02 . 2 . . . A 11 ASN HB3 . 18946 1
99 . 1 1 11 11 ASN HD21 H 1 7.688 0.02 . 2 . . . A 11 ASN HD21 . 18946 1
100 . 1 1 11 11 ASN HD22 H 1 6.887 0.02 . 2 . . . A 11 ASN HD22 . 18946 1
101 . 1 1 11 11 ASN C C 13 174.703 0.30 . 1 . . . A 11 ASN C . 18946 1
102 . 1 1 11 11 ASN CA C 13 52.019 0.30 . 1 . . . A 11 ASN CA . 18946 1
103 . 1 1 11 11 ASN CB C 13 42.021 0.30 . 1 . . . A 11 ASN CB . 18946 1
104 . 1 1 11 11 ASN N N 15 120.288 0.20 . 1 . . . A 11 ASN N . 18946 1
105 . 1 1 11 11 ASN ND2 N 15 115.033 0.20 . 1 . . . A 11 ASN ND2 . 18946 1
106 . 1 1 12 12 ALA H H 1 8.720 0.02 . 1 . . . A 12 ALA H . 18946 1
107 . 1 1 12 12 ALA HA H 1 3.605 0.02 . 1 . . . A 12 ALA HA . 18946 1
108 . 1 1 12 12 ALA HB1 H 1 1.374 0.02 . 1 . . . A 12 ALA HB1 . 18946 1
109 . 1 1 12 12 ALA HB2 H 1 1.374 0.02 . 1 . . . A 12 ALA HB2 . 18946 1
110 . 1 1 12 12 ALA HB3 H 1 1.374 0.02 . 1 . . . A 12 ALA HB3 . 18946 1
111 . 1 1 12 12 ALA C C 13 178.484 0.30 . 1 . . . A 12 ALA C . 18946 1
112 . 1 1 12 12 ALA CA C 13 55.905 0.30 . 1 . . . A 12 ALA CA . 18946 1
113 . 1 1 12 12 ALA CB C 13 18.819 0.30 . 1 . . . A 12 ALA CB . 18946 1
114 . 1 1 12 12 ALA N N 15 124.008 0.20 . 1 . . . A 12 ALA N . 18946 1
115 . 1 1 13 13 ASP H H 1 8.271 0.02 . 1 . . . A 13 ASP H . 18946 1
116 . 1 1 13 13 ASP HA H 1 4.361 0.02 . 1 . . . A 13 ASP HA . 18946 1
117 . 1 1 13 13 ASP HB2 H 1 2.690 0.02 . 2 . . . A 13 ASP HB2 . 18946 1
118 . 1 1 13 13 ASP HB3 H 1 2.336 0.02 . 2 . . . A 13 ASP HB3 . 18946 1
119 . 1 1 13 13 ASP C C 13 177.288 0.30 . 1 . . . A 13 ASP C . 18946 1
120 . 1 1 13 13 ASP CA C 13 55.785 0.30 . 1 . . . A 13 ASP CA . 18946 1
121 . 1 1 13 13 ASP CB C 13 39.745 0.30 . 1 . . . A 13 ASP CB . 18946 1
122 . 1 1 13 13 ASP N N 15 114.276 0.20 . 1 . . . A 13 ASP N . 18946 1
123 . 1 1 14 14 GLU H H 1 7.521 0.02 . 1 . . . A 14 GLU H . 18946 1
124 . 1 1 14 14 GLU HA H 1 4.214 0.02 . 1 . . . A 14 GLU HA . 18946 1
125 . 1 1 14 14 GLU HB2 H 1 2.328 0.02 . 2 . . . A 14 GLU HB2 . 18946 1
126 . 1 1 14 14 GLU HB3 H 1 2.250 0.02 . 2 . . . A 14 GLU HB3 . 18946 1
127 . 1 1 14 14 GLU HG2 H 1 2.717 0.02 . 2 . . . A 14 GLU HG2 . 18946 1
128 . 1 1 14 14 GLU HG3 H 1 2.353 0.02 . 2 . . . A 14 GLU HG3 . 18946 1
129 . 1 1 14 14 GLU C C 13 177.726 0.30 . 1 . . . A 14 GLU C . 18946 1
130 . 1 1 14 14 GLU CA C 13 57.161 0.30 . 1 . . . A 14 GLU CA . 18946 1
131 . 1 1 14 14 GLU CB C 13 31.897 0.30 . 1 . . . A 14 GLU CB . 18946 1
132 . 1 1 14 14 GLU CG C 13 37.097 0.30 . 1 . . . A 14 GLU CG . 18946 1
133 . 1 1 14 14 GLU N N 15 116.666 0.20 . 1 . . . A 14 GLU N . 18946 1
134 . 1 1 15 15 CYS H H 1 7.896 0.02 . 1 . . . A 15 CYS H . 18946 1
135 . 1 1 15 15 CYS HA H 1 5.115 0.02 . 1 . . . A 15 CYS HA . 18946 1
136 . 1 1 15 15 CYS HB2 H 1 3.376 0.02 . 2 . . . A 15 CYS HB2 . 18946 1
137 . 1 1 15 15 CYS HB3 H 1 2.708 0.02 . 2 . . . A 15 CYS HB3 . 18946 1
138 . 1 1 15 15 CYS C C 13 176.361 0.30 . 1 . . . A 15 CYS C . 18946 1
139 . 1 1 15 15 CYS CA C 13 53.135 0.30 . 1 . . . A 15 CYS CA . 18946 1
140 . 1 1 15 15 CYS CB C 13 38.011 0.30 . 1 . . . A 15 CYS CB . 18946 1
141 . 1 1 15 15 CYS N N 15 117.891 0.20 . 1 . . . A 15 CYS N . 18946 1
142 . 1 1 16 16 CYS H H 1 9.801 0.02 . 1 . . . A 16 CYS H . 18946 1
143 . 1 1 16 16 CYS HA H 1 4.512 0.02 . 1 . . . A 16 CYS HA . 18946 1
144 . 1 1 16 16 CYS HB2 H 1 3.215 0.02 . 2 . . . A 16 CYS HB2 . 18946 1
145 . 1 1 16 16 CYS HB3 H 1 2.765 0.02 . 2 . . . A 16 CYS HB3 . 18946 1
146 . 1 1 16 16 CYS C C 13 176.428 0.30 . 1 . . . A 16 CYS C . 18946 1
147 . 1 1 16 16 CYS CA C 13 56.768 0.30 . 1 . . . A 16 CYS CA . 18946 1
148 . 1 1 16 16 CYS CB C 13 38.457 0.30 . 1 . . . A 16 CYS CB . 18946 1
149 . 1 1 16 16 CYS N N 15 127.154 0.20 . 1 . . . A 16 CYS N . 18946 1
150 . 1 1 17 17 GLY H H 1 9.092 0.02 . 1 . . . A 17 GLY H . 18946 1
151 . 1 1 17 17 GLY HA2 H 1 4.076 0.02 . 2 . . . A 17 GLY HA2 . 18946 1
152 . 1 1 17 17 GLY HA3 H 1 3.903 0.02 . 2 . . . A 17 GLY HA3 . 18946 1
153 . 1 1 17 17 GLY C C 13 175.703 0.30 . 1 . . . A 17 GLY C . 18946 1
154 . 1 1 17 17 GLY CA C 13 45.462 0.30 . 1 . . . A 17 GLY CA . 18946 1
155 . 1 1 17 17 GLY N N 15 107.375 0.20 . 1 . . . A 17 GLY N . 18946 1
156 . 1 1 18 18 GLY H H 1 7.602 0.02 . 1 . . . A 18 GLY H . 18946 1
157 . 1 1 18 18 GLY HA2 H 1 3.903 0.02 . 2 . . . A 18 GLY HA2 . 18946 1
158 . 1 1 18 18 GLY HA3 H 1 3.887 0.02 . 2 . . . A 18 GLY HA3 . 18946 1
159 . 1 1 18 18 GLY C C 13 173.192 0.30 . 1 . . . A 18 GLY C . 18946 1
160 . 1 1 18 18 GLY CA C 13 45.942 0.30 . 1 . . . A 18 GLY CA . 18946 1
161 . 1 1 18 18 GLY N N 15 104.733 0.20 . 1 . . . A 18 GLY N . 18946 1
162 . 1 1 19 19 LYS H H 1 7.561 0.02 . 1 . . . A 19 LYS H . 18946 1
163 . 1 1 19 19 LYS HA H 1 4.611 0.02 . 1 . . . A 19 LYS HA . 18946 1
164 . 1 1 19 19 LYS HB2 H 1 1.590 0.02 . 2 . . . A 19 LYS HB2 . 18946 1
165 . 1 1 19 19 LYS HB3 H 1 1.475 0.02 . 2 . . . A 19 LYS HB3 . 18946 1
166 . 1 1 19 19 LYS HG2 H 1 1.319 0.02 . 2 . . . A 19 LYS HG2 . 18946 1
167 . 1 1 19 19 LYS HG3 H 1 1.180 0.02 . 2 . . . A 19 LYS HG3 . 18946 1
168 . 1 1 19 19 LYS HD2 H 1 1.530 0.02 . 2 . . . A 19 LYS HD2 . 18946 1
169 . 1 1 19 19 LYS HD3 H 1 1.508 0.02 . 2 . . . A 19 LYS HD3 . 18946 1
170 . 1 1 19 19 LYS HE2 H 1 2.849 0.02 . 1 . . . A 19 LYS HE2 . 18946 1
171 . 1 1 19 19 LYS HE3 H 1 2.849 0.02 . 1 . . . A 19 LYS HE3 . 18946 1
172 . 1 1 19 19 LYS C C 13 174.052 0.30 . 1 . . . A 19 LYS C . 18946 1
173 . 1 1 19 19 LYS CA C 13 54.913 0.30 . 1 . . . A 19 LYS CA . 18946 1
174 . 1 1 19 19 LYS CB C 13 35.238 0.30 . 1 . . . A 19 LYS CB . 18946 1
175 . 1 1 19 19 LYS CG C 13 24.715 0.30 . 1 . . . A 19 LYS CG . 18946 1
176 . 1 1 19 19 LYS CD C 13 28.989 0.30 . 1 . . . A 19 LYS CD . 18946 1
177 . 1 1 19 19 LYS CE C 13 42.114 0.30 . 1 . . . A 19 LYS CE . 18946 1
178 . 1 1 19 19 LYS N N 15 117.332 0.20 . 1 . . . A 19 LYS N . 18946 1
179 . 1 1 20 20 CYS H H 1 8.750 0.02 . 1 . . . A 20 CYS H . 18946 1
180 . 1 1 20 20 CYS HA H 1 4.888 0.02 . 1 . . . A 20 CYS HA . 18946 1
181 . 1 1 20 20 CYS HB2 H 1 2.723 0.02 . 2 . . . A 20 CYS HB2 . 18946 1
182 . 1 1 20 20 CYS HB3 H 1 2.485 0.02 . 2 . . . A 20 CYS HB3 . 18946 1
183 . 1 1 20 20 CYS C C 13 172.653 0.30 . 1 . . . A 20 CYS C . 18946 1
184 . 1 1 20 20 CYS CA C 13 55.450 0.30 . 1 . . . A 20 CYS CA . 18946 1
185 . 1 1 20 20 CYS CB C 13 41.038 0.30 . 1 . . . A 20 CYS CB . 18946 1
186 . 1 1 20 20 CYS N N 15 124.545 0.20 . 1 . . . A 20 CYS N . 18946 1
187 . 1 1 21 21 ALA H H 1 8.425 0.02 . 1 . . . A 21 ALA H . 18946 1
188 . 1 1 21 21 ALA HA H 1 4.571 0.02 . 1 . . . A 21 ALA HA . 18946 1
189 . 1 1 21 21 ALA HB1 H 1 1.342 0.02 . 1 . . . A 21 ALA HB1 . 18946 1
190 . 1 1 21 21 ALA HB2 H 1 1.342 0.02 . 1 . . . A 21 ALA HB2 . 18946 1
191 . 1 1 21 21 ALA HB3 H 1 1.342 0.02 . 1 . . . A 21 ALA HB3 . 18946 1
192 . 1 1 21 21 ALA C C 13 176.192 0.30 . 1 . . . A 21 ALA C . 18946 1
193 . 1 1 21 21 ALA CA C 13 51.185 0.30 . 1 . . . A 21 ALA CA . 18946 1
194 . 1 1 21 21 ALA CB C 13 22.948 0.30 . 1 . . . A 21 ALA CB . 18946 1
195 . 1 1 21 21 ALA N N 15 129.652 0.20 . 1 . . . A 21 ALA N . 18946 1
196 . 1 1 22 22 TYR H H 1 8.260 0.02 . 1 . . . A 22 TYR H . 18946 1
197 . 1 1 22 22 TYR HA H 1 4.586 0.02 . 1 . . . A 22 TYR HA . 18946 1
198 . 1 1 22 22 TYR HB2 H 1 3.072 0.02 . 2 . . . A 22 TYR HB2 . 18946 1
199 . 1 1 22 22 TYR HB3 H 1 2.760 0.02 . 2 . . . A 22 TYR HB3 . 18946 1
200 . 1 1 22 22 TYR HD1 H 1 7.073 0.02 . 1 . . . A 22 TYR HD1 . 18946 1
201 . 1 1 22 22 TYR HD2 H 1 7.073 0.02 . 1 . . . A 22 TYR HD2 . 18946 1
202 . 1 1 22 22 TYR HE1 H 1 6.779 0.02 . 1 . . . A 22 TYR HE1 . 18946 1
203 . 1 1 22 22 TYR HE2 H 1 6.779 0.02 . 1 . . . A 22 TYR HE2 . 18946 1
204 . 1 1 22 22 TYR C C 13 175.973 0.30 . 1 . . . A 22 TYR C . 18946 1
205 . 1 1 22 22 TYR CA C 13 59.127 0.30 . 1 . . . A 22 TYR CA . 18946 1
206 . 1 1 22 22 TYR CB C 13 38.138 0.30 . 1 . . . A 22 TYR CB . 18946 1
207 . 1 1 22 22 TYR CD1 C 13 133.281 0.30 . 1 . . . A 22 TYR CD1 . 18946 1
208 . 1 1 22 22 TYR CD2 C 13 133.281 0.30 . 1 . . . A 22 TYR CD2 . 18946 1
209 . 1 1 22 22 TYR CE1 C 13 118.281 0.30 . 1 . . . A 22 TYR CE1 . 18946 1
210 . 1 1 22 22 TYR CE2 C 13 118.281 0.30 . 1 . . . A 22 TYR CE2 . 18946 1
211 . 1 1 22 22 TYR N N 15 119.615 0.20 . 1 . . . A 22 TYR N . 18946 1
212 . 1 1 23 23 ASN H H 1 8.761 0.02 . 1 . . . A 23 ASN H . 18946 1
213 . 1 1 23 23 ASN HA H 1 4.662 0.02 . 1 . . . A 23 ASN HA . 18946 1
214 . 1 1 23 23 ASN HB2 H 1 2.604 0.02 . 2 . . . A 23 ASN HB2 . 18946 1
215 . 1 1 23 23 ASN HB3 H 1 2.501 0.02 . 2 . . . A 23 ASN HB3 . 18946 1
216 . 1 1 23 23 ASN HD21 H 1 7.405 0.02 . 2 . . . A 23 ASN HD21 . 18946 1
217 . 1 1 23 23 ASN HD22 H 1 6.736 0.02 . 2 . . . A 23 ASN HD22 . 18946 1
218 . 1 1 23 23 ASN C C 13 175.296 0.30 . 1 . . . A 23 ASN C . 18946 1
219 . 1 1 23 23 ASN CA C 13 53.357 0.30 . 1 . . . A 23 ASN CA . 18946 1
220 . 1 1 23 23 ASN CB C 13 38.989 0.30 . 1 . . . A 23 ASN CB . 18946 1
221 . 1 1 23 23 ASN N N 15 122.652 0.20 . 1 . . . A 23 ASN N . 18946 1
222 . 1 1 23 23 ASN ND2 N 15 113.657 0.20 . 1 . . . A 23 ASN ND2 . 18946 1
223 . 1 1 24 24 VAL H H 1 8.222 0.02 . 1 . . . A 24 VAL H . 18946 1
224 . 1 1 24 24 VAL HA H 1 4.076 0.02 . 1 . . . A 24 VAL HA . 18946 1
225 . 1 1 24 24 VAL HB H 1 2.029 0.02 . 1 . . . A 24 VAL HB . 18946 1
226 . 1 1 24 24 VAL HG11 H 1 0.775 0.02 . 1 . . . A 24 VAL HG11 . 18946 1
227 . 1 1 24 24 VAL HG12 H 1 0.775 0.02 . 1 . . . A 24 VAL HG12 . 18946 1
228 . 1 1 24 24 VAL HG13 H 1 0.775 0.02 . 1 . . . A 24 VAL HG13 . 18946 1
229 . 1 1 24 24 VAL HG21 H 1 0.792 0.02 . 1 . . . A 24 VAL HG21 . 18946 1
230 . 1 1 24 24 VAL HG22 H 1 0.792 0.02 . 1 . . . A 24 VAL HG22 . 18946 1
231 . 1 1 24 24 VAL HG23 H 1 0.792 0.02 . 1 . . . A 24 VAL HG23 . 18946 1
232 . 1 1 24 24 VAL C C 13 176.445 0.30 . 1 . . . A 24 VAL C . 18946 1
233 . 1 1 24 24 VAL CA C 13 62.851 0.30 . 1 . . . A 24 VAL CA . 18946 1
234 . 1 1 24 24 VAL CB C 13 32.307 0.30 . 1 . . . A 24 VAL CB . 18946 1
235 . 1 1 24 24 VAL CG1 C 13 21.143 0.30 . 1 . . . A 24 VAL CG1 . 18946 1
236 . 1 1 24 24 VAL CG2 C 13 20.008 0.30 . 1 . . . A 24 VAL CG2 . 18946 1
237 . 1 1 24 24 VAL N N 15 120.619 0.20 . 1 . . . A 24 VAL N . 18946 1
238 . 1 1 25 25 TRP H H 1 7.974 0.02 . 1 . . . A 25 TRP H . 18946 1
239 . 1 1 25 25 TRP HA H 1 4.477 0.02 . 1 . . . A 25 TRP HA . 18946 1
240 . 1 1 25 25 TRP HB2 H 1 3.291 0.02 . 1 . . . A 25 TRP HB2 . 18946 1
241 . 1 1 25 25 TRP HB3 H 1 3.291 0.02 . 1 . . . A 25 TRP HB3 . 18946 1
242 . 1 1 25 25 TRP HD1 H 1 7.293 0.02 . 1 . . . A 25 TRP HD1 . 18946 1
243 . 1 1 25 25 TRP HE1 H 1 10.151 0.02 . 1 . . . A 25 TRP HE1 . 18946 1
244 . 1 1 25 25 TRP HE3 H 1 7.612 0.02 . 1 . . . A 25 TRP HE3 . 18946 1
245 . 1 1 25 25 TRP HZ2 H 1 7.466 0.02 . 1 . . . A 25 TRP HZ2 . 18946 1
246 . 1 1 25 25 TRP HZ3 H 1 7.159 0.02 . 1 . . . A 25 TRP HZ3 . 18946 1
247 . 1 1 25 25 TRP HH2 H 1 7.097 0.02 . 1 . . . A 25 TRP HH2 . 18946 1
248 . 1 1 25 25 TRP C C 13 176.192 0.30 . 1 . . . A 25 TRP C . 18946 1
249 . 1 1 25 25 TRP CA C 13 58.344 0.30 . 1 . . . A 25 TRP CA . 18946 1
250 . 1 1 25 25 TRP CB C 13 28.650 0.30 . 1 . . . A 25 TRP CB . 18946 1
251 . 1 1 25 25 TRP CD1 C 13 127.187 0.30 . 1 . . . A 25 TRP CD1 . 18946 1
252 . 1 1 25 25 TRP CE3 C 13 120.625 0.30 . 1 . . . A 25 TRP CE3 . 18946 1
253 . 1 1 25 25 TRP CZ2 C 13 114.531 0.30 . 1 . . . A 25 TRP CZ2 . 18946 1
254 . 1 1 25 25 TRP CZ3 C 13 122.031 0.30 . 1 . . . A 25 TRP CZ3 . 18946 1
255 . 1 1 25 25 TRP CH2 C 13 121.562 0.30 . 1 . . . A 25 TRP CH2 . 18946 1
256 . 1 1 25 25 TRP N N 15 122.870 0.20 . 1 . . . A 25 TRP N . 18946 1
257 . 1 1 25 25 TRP NE1 N 15 129.686 0.20 . 1 . . . A 25 TRP NE1 . 18946 1
258 . 1 1 26 26 ASN H H 1 7.619 0.02 . 1 . . . A 26 ASN H . 18946 1
259 . 1 1 26 26 ASN HA H 1 4.492 0.02 . 1 . . . A 26 ASN HA . 18946 1
260 . 1 1 26 26 ASN HB2 H 1 2.421 0.02 . 2 . . . A 26 ASN HB2 . 18946 1
261 . 1 1 26 26 ASN HB3 H 1 2.136 0.02 . 2 . . . A 26 ASN HB3 . 18946 1
262 . 1 1 26 26 ASN HD21 H 1 7.322 0.02 . 2 . . . A 26 ASN HD21 . 18946 1
263 . 1 1 26 26 ASN HD22 H 1 6.658 0.02 . 2 . . . A 26 ASN HD22 . 18946 1
264 . 1 1 26 26 ASN C C 13 174.308 0.30 . 1 . . . A 26 ASN C . 18946 1
265 . 1 1 26 26 ASN CA C 13 52.441 0.30 . 1 . . . A 26 ASN CA . 18946 1
266 . 1 1 26 26 ASN CB C 13 37.444 0.30 . 1 . . . A 26 ASN CB . 18946 1
267 . 1 1 26 26 ASN N N 15 117.371 0.20 . 1 . . . A 26 ASN N . 18946 1
268 . 1 1 26 26 ASN ND2 N 15 110.875 0.20 . 1 . . . A 26 ASN ND2 . 18946 1
269 . 1 1 27 27 CYS H H 1 7.747 0.02 . 1 . . . A 27 CYS H . 18946 1
270 . 1 1 27 27 CYS HA H 1 4.592 0.02 . 1 . . . A 27 CYS HA . 18946 1
271 . 1 1 27 27 CYS HB2 H 1 3.141 0.02 . 2 . . . A 27 CYS HB2 . 18946 1
272 . 1 1 27 27 CYS HB3 H 1 2.715 0.02 . 2 . . . A 27 CYS HB3 . 18946 1
273 . 1 1 27 27 CYS C C 13 173.563 0.30 . 1 . . . A 27 CYS C . 18946 1
274 . 1 1 27 27 CYS CA C 13 56.965 0.30 . 1 . . . A 27 CYS CA . 18946 1
275 . 1 1 27 27 CYS CB C 13 40.911 0.30 . 1 . . . A 27 CYS CB . 18946 1
276 . 1 1 27 27 CYS N N 15 119.596 0.20 . 1 . . . A 27 CYS N . 18946 1
277 . 1 1 28 28 ILE H H 1 8.296 0.02 . 1 . . . A 28 ILE H . 18946 1
278 . 1 1 28 28 ILE HA H 1 3.994 0.02 . 1 . . . A 28 ILE HA . 18946 1
279 . 1 1 28 28 ILE HB H 1 1.746 0.02 . 1 . . . A 28 ILE HB . 18946 1
280 . 1 1 28 28 ILE HG12 H 1 1.380 0.02 . 2 . . . A 28 ILE HG12 . 18946 1
281 . 1 1 28 28 ILE HG13 H 1 1.059 0.02 . 2 . . . A 28 ILE HG13 . 18946 1
282 . 1 1 28 28 ILE HG21 H 1 0.805 0.02 . 1 . . . A 28 ILE HG21 . 18946 1
283 . 1 1 28 28 ILE HG22 H 1 0.805 0.02 . 1 . . . A 28 ILE HG22 . 18946 1
284 . 1 1 28 28 ILE HG23 H 1 0.805 0.02 . 1 . . . A 28 ILE HG23 . 18946 1
285 . 1 1 28 28 ILE HD11 H 1 0.809 0.02 . 1 . . . A 28 ILE HD11 . 18946 1
286 . 1 1 28 28 ILE HD12 H 1 0.809 0.02 . 1 . . . A 28 ILE HD12 . 18946 1
287 . 1 1 28 28 ILE HD13 H 1 0.809 0.02 . 1 . . . A 28 ILE HD13 . 18946 1
288 . 1 1 28 28 ILE C C 13 176.495 0.30 . 1 . . . A 28 ILE C . 18946 1
289 . 1 1 28 28 ILE CA C 13 61.032 0.30 . 1 . . . A 28 ILE CA . 18946 1
290 . 1 1 28 28 ILE CB C 13 39.272 0.30 . 1 . . . A 28 ILE CB . 18946 1
291 . 1 1 28 28 ILE CG1 C 13 27.295 0.30 . 1 . . . A 28 ILE CG1 . 18946 1
292 . 1 1 28 28 ILE CG2 C 13 17.426 0.30 . 1 . . . A 28 ILE CG2 . 18946 1
293 . 1 1 28 28 ILE CD1 C 13 13.011 0.30 . 1 . . . A 28 ILE CD1 . 18946 1
294 . 1 1 28 28 ILE N N 15 123.891 0.20 . 1 . . . A 28 ILE N . 18946 1
295 . 1 1 29 29 GLY H H 1 8.076 0.02 . 1 . . . A 29 GLY H . 18946 1
296 . 1 1 29 29 GLY HA2 H 1 4.077 0.02 . 2 . . . A 29 GLY HA2 . 18946 1
297 . 1 1 29 29 GLY HA3 H 1 3.806 0.02 . 2 . . . A 29 GLY HA3 . 18946 1
298 . 1 1 29 29 GLY C C 13 174.844 0.30 . 1 . . . A 29 GLY C . 18946 1
299 . 1 1 29 29 GLY CA C 13 44.848 0.30 . 1 . . . A 29 GLY CA . 18946 1
300 . 1 1 29 29 GLY N N 15 113.320 0.20 . 1 . . . A 29 GLY N . 18946 1
301 . 1 1 30 30 GLY H H 1 8.273 0.02 . 1 . . . A 30 GLY H . 18946 1
302 . 1 1 30 30 GLY HA2 H 1 3.925 0.02 . 1 . . . A 30 GLY HA2 . 18946 1
303 . 1 1 30 30 GLY HA3 H 1 3.925 0.02 . 1 . . . A 30 GLY HA3 . 18946 1
304 . 1 1 30 30 GLY C C 13 174.844 0.30 . 1 . . . A 30 GLY C . 18946 1
305 . 1 1 30 30 GLY CA C 13 46.215 0.30 . 1 . . . A 30 GLY CA . 18946 1
306 . 1 1 30 30 GLY N N 15 108.103 0.20 . 1 . . . A 30 GLY N . 18946 1
307 . 1 1 31 31 GLY H H 1 8.457 0.02 . 1 . . . A 31 GLY H . 18946 1
308 . 1 1 31 31 GLY HA2 H 1 4.058 0.02 . 2 . . . A 31 GLY HA2 . 18946 1
309 . 1 1 31 31 GLY HA3 H 1 3.854 0.02 . 2 . . . A 31 GLY HA3 . 18946 1
310 . 1 1 31 31 GLY C C 13 174.574 0.30 . 1 . . . A 31 GLY C . 18946 1
311 . 1 1 31 31 GLY CA C 13 45.668 0.30 . 1 . . . A 31 GLY CA . 18946 1
312 . 1 1 31 31 GLY N N 15 109.158 0.20 . 1 . . . A 31 GLY N . 18946 1
313 . 1 1 32 32 CYS H H 1 7.708 0.02 . 1 . . . A 32 CYS H . 18946 1
314 . 1 1 32 32 CYS HA H 1 4.679 0.02 . 1 . . . A 32 CYS HA . 18946 1
315 . 1 1 32 32 CYS HB2 H 1 3.132 0.02 . 2 . . . A 32 CYS HB2 . 18946 1
316 . 1 1 32 32 CYS HB3 H 1 2.932 0.02 . 2 . . . A 32 CYS HB3 . 18946 1
317 . 1 1 32 32 CYS C C 13 174.111 0.30 . 1 . . . A 32 CYS C . 18946 1
318 . 1 1 32 32 CYS CA C 13 55.450 0.30 . 1 . . . A 32 CYS CA . 18946 1
319 . 1 1 32 32 CYS CB C 13 42.316 0.30 . 1 . . . A 32 CYS CB . 18946 1
320 . 1 1 32 32 CYS N N 15 118.532 0.20 . 1 . . . A 32 CYS N . 18946 1
321 . 1 1 33 33 SER H H 1 8.559 0.02 . 1 . . . A 33 SER H . 18946 1
322 . 1 1 33 33 SER HA H 1 4.628 0.02 . 1 . . . A 33 SER HA . 18946 1
323 . 1 1 33 33 SER HB2 H 1 3.906 0.02 . 2 . . . A 33 SER HB2 . 18946 1
324 . 1 1 33 33 SER HB3 H 1 3.909 0.02 . 2 . . . A 33 SER HB3 . 18946 1
325 . 1 1 33 33 SER C C 13 174.102 0.30 . 1 . . . A 33 SER C . 18946 1
326 . 1 1 33 33 SER CA C 13 58.439 0.30 . 1 . . . A 33 SER CA . 18946 1
327 . 1 1 33 33 SER CB C 13 64.587 0.30 . 1 . . . A 33 SER CB . 18946 1
328 . 1 1 33 33 SER N N 15 117.584 0.20 . 1 . . . A 33 SER N . 18946 1
329 . 1 1 34 34 LYS H H 1 8.492 0.02 . 1 . . . A 34 LYS H . 18946 1
330 . 1 1 34 34 LYS HA H 1 4.162 0.02 . 1 . . . A 34 LYS HA . 18946 1
331 . 1 1 34 34 LYS HB2 H 1 1.693 0.02 . 2 . . . A 34 LYS HB2 . 18946 1
332 . 1 1 34 34 LYS HB3 H 1 1.391 0.02 . 2 . . . A 34 LYS HB3 . 18946 1
333 . 1 1 34 34 LYS HG2 H 1 0.958 0.02 . 2 . . . A 34 LYS HG2 . 18946 1
334 . 1 1 34 34 LYS HG3 H 1 0.253 0.02 . 2 . . . A 34 LYS HG3 . 18946 1
335 . 1 1 34 34 LYS HD2 H 1 1.240 0.02 . 1 . . . A 34 LYS HD2 . 18946 1
336 . 1 1 34 34 LYS HE2 H 1 2.597 0.02 . 2 . . . A 34 LYS HE2 . 18946 1
337 . 1 1 34 34 LYS HE3 H 1 2.563 0.02 . 2 . . . A 34 LYS HE3 . 18946 1
338 . 1 1 34 34 LYS C C 13 177.288 0.30 . 1 . . . A 34 LYS C . 18946 1
339 . 1 1 34 34 LYS CA C 13 57.327 0.30 . 1 . . . A 34 LYS CA . 18946 1
340 . 1 1 34 34 LYS CB C 13 34.576 0.30 . 1 . . . A 34 LYS CB . 18946 1
341 . 1 1 34 34 LYS CG C 13 25.839 0.30 . 1 . . . A 34 LYS CG . 18946 1
342 . 1 1 34 34 LYS CD C 13 29.842 0.30 . 1 . . . A 34 LYS CD . 18946 1
343 . 1 1 34 34 LYS CE C 13 41.805 0.30 . 1 . . . A 34 LYS CE . 18946 1
344 . 1 1 34 34 LYS N N 15 123.934 0.20 . 1 . . . A 34 LYS N . 18946 1
345 . 1 1 35 35 THR H H 1 8.621 0.02 . 1 . . . A 35 THR H . 18946 1
346 . 1 1 35 35 THR HA H 1 5.011 0.02 . 1 . . . A 35 THR HA . 18946 1
347 . 1 1 35 35 THR HB H 1 3.667 0.02 . 1 . . . A 35 THR HB . 18946 1
348 . 1 1 35 35 THR HG1 H 1 5.458 0.02 . 1 . . . A 35 THR HG1 . 18946 1
349 . 1 1 35 35 THR HG21 H 1 0.953 0.02 . 1 . . . A 35 THR HG21 . 18946 1
350 . 1 1 35 35 THR HG22 H 1 0.953 0.02 . 1 . . . A 35 THR HG22 . 18946 1
351 . 1 1 35 35 THR HG23 H 1 0.953 0.02 . 1 . . . A 35 THR HG23 . 18946 1
352 . 1 1 35 35 THR C C 13 175.979 0.30 . 1 . . . A 35 THR C . 18946 1
353 . 1 1 35 35 THR CA C 13 60.111 0.30 . 1 . . . A 35 THR CA . 18946 1
354 . 1 1 35 35 THR CB C 13 74.169 0.30 . 1 . . . A 35 THR CB . 18946 1
355 . 1 1 35 35 THR CG2 C 13 22.383 0.30 . 1 . . . A 35 THR CG2 . 18946 1
356 . 1 1 35 35 THR N N 15 111.686 0.20 . 1 . . . A 35 THR N . 18946 1
357 . 1 1 36 36 CYS H H 1 8.851 0.02 . 1 . . . A 36 CYS H . 18946 1
358 . 1 1 36 36 CYS HA H 1 5.365 0.02 . 1 . . . A 36 CYS HA . 18946 1
359 . 1 1 36 36 CYS HB2 H 1 2.856 0.02 . 1 . . . A 36 CYS HB2 . 18946 1
360 . 1 1 36 36 CYS HB3 H 1 3.415 0.02 . 1 . . . A 36 CYS HB3 . 18946 1
361 . 1 1 36 36 CYS C C 13 177.591 0.30 . 1 . . . A 36 CYS C . 18946 1
362 . 1 1 36 36 CYS CA C 13 53.590 0.30 . 1 . . . A 36 CYS CA . 18946 1
363 . 1 1 36 36 CYS CB C 13 36.183 0.30 . 1 . . . A 36 CYS CB . 18946 1
364 . 1 1 36 36 CYS N N 15 120.499 0.20 . 1 . . . A 36 CYS N . 18946 1
365 . 1 1 37 37 GLY H H 1 8.725 0.02 . 1 . . . A 37 GLY H . 18946 1
366 . 1 1 37 37 GLY HA2 H 1 4.151 0.02 . 1 . . . A 37 GLY HA2 . 18946 1
367 . 1 1 37 37 GLY HA3 H 1 3.811 0.02 . 1 . . . A 37 GLY HA3 . 18946 1
368 . 1 1 37 37 GLY C C 13 171.490 0.30 . 1 . . . A 37 GLY C . 18946 1
369 . 1 1 37 37 GLY CA C 13 45.204 0.30 . 1 . . . A 37 GLY CA . 18946 1
370 . 1 1 37 37 GLY N N 15 112.382 0.20 . 1 . . . A 37 GLY N . 18946 1
371 . 1 1 38 38 TYR H H 1 7.793 0.02 . 1 . . . A 38 TYR H . 18946 1
372 . 1 1 38 38 TYR HA H 1 4.341 0.02 . 1 . . . A 38 TYR HA . 18946 1
373 . 1 1 38 38 TYR HB2 H 1 3.029 0.02 . 2 . . . A 38 TYR HB2 . 18946 1
374 . 1 1 38 38 TYR HB3 H 1 2.852 0.02 . 2 . . . A 38 TYR HB3 . 18946 1
375 . 1 1 38 38 TYR HD1 H 1 7.122 0.02 . 1 . . . A 38 TYR HD1 . 18946 1
376 . 1 1 38 38 TYR HD2 H 1 7.122 0.02 . 1 . . . A 38 TYR HD2 . 18946 1
377 . 1 1 38 38 TYR HE1 H 1 6.785 0.02 . 1 . . . A 38 TYR HE1 . 18946 1
378 . 1 1 38 38 TYR HE2 H 1 6.785 0.02 . 1 . . . A 38 TYR HE2 . 18946 1
379 . 1 1 38 38 TYR CA C 13 59.614 0.30 . 1 . . . A 38 TYR CA . 18946 1
380 . 1 1 38 38 TYR CB C 13 40.200 0.30 . 1 . . . A 38 TYR CB . 18946 1
381 . 1 1 38 38 TYR CD1 C 13 133.281 0.30 . 1 . . . A 38 TYR CD1 . 18946 1
382 . 1 1 38 38 TYR CD2 C 13 133.281 0.30 . 1 . . . A 38 TYR CD2 . 18946 1
383 . 1 1 38 38 TYR CE1 C 13 118.281 0.30 . 1 . . . A 38 TYR CE1 . 18946 1
384 . 1 1 38 38 TYR CE2 C 13 118.281 0.30 . 1 . . . A 38 TYR CE2 . 18946 1
385 . 1 1 38 38 TYR N N 15 123.747 0.20 . 1 . . . A 38 TYR N . 18946 1
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