###################################
# 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 18912
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 18912 1
2 '3D HNCA' . . . 18912 1
3 '3D HNCO' . . . 18912 1
4 '3D HN(CO)CA' . . . 18912 1
5 '3D H(CCO)NH' . . . 18912 1
6 '3D HN(CA)CO' . . . 18912 1
8 '3D CBCA(CO)NH' . . . 18912 1
9 '3D HNCACB' . . . 18912 1
10 '3D 1H-15N NOESY' . . . 18912 1
11 '3D 1H-15N TOCSY' . . . 18912 1
12 '3D 1H-13C NOESY' . . . 18912 1
13 '3D 1H-13C NOESY aliphatic' . . . 18912 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 PHE HA H 1 3.8817 0.03 . 1 . . . A 1 PHE HA . 18912 1
2 . 1 1 1 1 PHE HB2 H 1 2.8310 0.03 . 2 . . . A 1 PHE HB2 . 18912 1
3 . 1 1 1 1 PHE HB3 H 1 3.1244 0.03 . 2 . . . A 1 PHE HB3 . 18912 1
4 . 1 1 1 1 PHE HD1 H 1 6.8630 0.03 . 3 . . . A 1 PHE HD1 . 18912 1
5 . 1 1 1 1 PHE HD2 H 1 6.8630 0.03 . 3 . . . A 1 PHE HD2 . 18912 1
6 . 1 1 1 1 PHE H H 1 7.6869 0.03 . 1 . . . A 1 PHE H1 . 18912 1
7 . 1 1 1 1 PHE N N 15 121.4217 0.50 . 1 . . . A 1 PHE N . 18912 1
8 . 1 1 2 2 CYS H H 1 8.4847 0.03 . 1 . . . A 2 CYS H . 18912 1
9 . 1 1 2 2 CYS HA H 1 3.5709 0.03 . 1 . . . A 2 CYS HA . 18912 1
10 . 1 1 2 2 CYS HB2 H 1 2.8814 0.03 . 2 . . . A 2 CYS HB2 . 18912 1
11 . 1 1 2 2 CYS HB3 H 1 2.4587 0.03 . 2 . . . A 2 CYS HB3 . 18912 1
12 . 1 1 2 2 CYS N N 15 116.7660 0.50 . 1 . . . A 2 CYS N . 18912 1
13 . 1 1 3 3 GLU H H 1 9.3451 0.03 . 1 . . . A 3 GLU H . 18912 1
14 . 1 1 3 3 GLU HA H 1 3.9631 0.03 . 1 . . . A 3 GLU HA . 18912 1
15 . 1 1 3 3 GLU HB2 H 1 2.0791 0.03 . 2 . . . A 3 GLU HB2 . 18912 1
16 . 1 1 3 3 GLU HB3 H 1 1.8000 0.03 . 2 . . . A 3 GLU HB3 . 18912 1
17 . 1 1 3 3 GLU HG2 H 1 2.4392 0.03 . 2 . . . A 3 GLU HG2 . 18912 1
18 . 1 1 3 3 GLU HG3 H 1 2.4392 0.03 . 2 . . . A 3 GLU HG3 . 18912 1
19 . 1 1 3 3 GLU N N 15 124.3483 0.50 . 1 . . . A 3 GLU N . 18912 1
20 . 1 1 4 4 ARG H H 1 8.3904 0.03 . 1 . . . A 4 ARG H . 18912 1
21 . 1 1 4 4 ARG HA H 1 3.9593 0.03 . 1 . . . A 4 ARG HA . 18912 1
22 . 1 1 4 4 ARG HB2 H 1 1.7152 0.03 . 2 . . . A 4 ARG HB2 . 18912 1
23 . 1 1 4 4 ARG HB3 H 1 1.8328 0.03 . 2 . . . A 4 ARG HB3 . 18912 1
24 . 1 1 4 4 ARG HG2 H 1 1.4216 0.03 . 2 . . . A 4 ARG HG2 . 18912 1
25 . 1 1 4 4 ARG HG3 H 1 1.4216 0.03 . 2 . . . A 4 ARG HG3 . 18912 1
26 . 1 1 4 4 ARG N N 15 119.1668 0.50 . 1 . . . A 4 ARG N . 18912 1
27 . 1 1 5 5 GLU H H 1 8.3091 0.03 . 1 . . . A 5 GLU H . 18912 1
28 . 1 1 5 5 GLU HA H 1 4.2309 0.03 . 1 . . . A 5 GLU HA . 18912 1
29 . 1 1 5 5 GLU HB2 H 1 1.7137 0.03 . 2 . . . A 5 GLU HB2 . 18912 1
30 . 1 1 5 5 GLU HG2 H 1 1.8320 0.03 . 2 . . . A 5 GLU HG2 . 18912 1
31 . 1 1 5 5 GLU HG3 H 1 1.8320 0.03 . 2 . . . A 5 GLU HG3 . 18912 1
32 . 1 1 5 5 GLU N N 15 114.0219 0.50 . 1 . . . A 5 GLU N . 18912 1
33 . 1 1 6 6 GLN H H 1 7.2099 0.03 . 1 . . . A 6 GLN H . 18912 1
34 . 1 1 6 6 GLN HA H 1 4.5446 0.03 . 1 . . . A 6 GLN HA . 18912 1
35 . 1 1 6 6 GLN HB2 H 1 2.0059 0.03 . 2 . . . A 6 GLN HB2 . 18912 1
36 . 1 1 6 6 GLN HB3 H 1 2.2926 0.03 . 2 . . . A 6 GLN HB3 . 18912 1
37 . 1 1 6 6 GLN HG2 H 1 1.9021 0.03 . 2 . . . A 6 GLN HG2 . 18912 1
38 . 1 1 6 6 GLN HG3 H 1 2.2926 0.03 . 2 . . . A 6 GLN HG3 . 18912 1
39 . 1 1 6 6 GLN HE21 H 1 6.9890 0.03 . 2 . . . A 6 GLN HE21 . 18912 1
40 . 1 1 6 6 GLN HE22 H 1 6.7449 0.03 . 2 . . . A 6 GLN HE22 . 18912 1
41 . 1 1 6 6 GLN N N 15 113.4890 0.50 . 1 . . . A 6 GLN N . 18912 1
42 . 1 1 6 6 GLN NE2 N 15 113.0092 0.50 . 1 . . . A 6 GLN NE2 . 18912 1
43 . 1 1 7 7 GLN H H 1 7.4539 0.03 . 1 . . . A 7 GLN H . 18912 1
44 . 1 1 7 7 GLN HA H 1 4.0904 0.03 . 1 . . . A 7 GLN HA . 18912 1
45 . 1 1 7 7 GLN HB2 H 1 2.2708 0.03 . 2 . . . A 7 GLN HB2 . 18912 1
46 . 1 1 7 7 GLN HB3 H 1 2.2708 0.03 . 2 . . . A 7 GLN HB3 . 18912 1
47 . 1 1 7 7 GLN HG2 H 1 2.2708 0.03 . 2 . . . A 7 GLN HG2 . 18912 1
48 . 1 1 7 7 GLN HG3 H 1 2.2708 0.03 . 2 . . . A 7 GLN HG3 . 18912 1
49 . 1 1 7 7 GLN HE21 H 1 7.2442 0.03 . 2 . . . A 7 GLN HE21 . 18912 1
50 . 1 1 7 7 GLN HE22 H 1 6.5160 0.03 . 2 . . . A 7 GLN HE22 . 18912 1
51 . 1 1 7 7 GLN N N 15 114.9527 0.50 . 1 . . . A 7 GLN N . 18912 1
52 . 1 1 7 7 GLN NE2 N 15 112.0718 0.50 . 1 . . . A 7 GLN NE2 . 18912 1
53 . 1 1 8 8 LEU H H 1 7.4140 0.03 . 1 . . . A 8 LEU H . 18912 1
54 . 1 1 8 8 LEU HA H 1 4.7135 0.03 . 1 . . . A 8 LEU HA . 18912 1
55 . 1 1 8 8 LEU HB2 H 1 1.7742 0.03 . 2 . . . A 8 LEU HB2 . 18912 1
56 . 1 1 8 8 LEU HB3 H 1 1.1167 0.03 . 2 . . . A 8 LEU HB3 . 18912 1
57 . 1 1 8 8 LEU HG H 1 1.6174 0.03 . 1 . . . A 8 LEU HG . 18912 1
58 . 1 1 8 8 LEU HD11 H 1 0.7988 0.03 . 2 . . . A 8 LEU HD11 . 18912 1
59 . 1 1 8 8 LEU HD12 H 1 0.7988 0.03 . 2 . . . A 8 LEU HD12 . 18912 1
60 . 1 1 8 8 LEU HD13 H 1 0.7988 0.03 . 2 . . . A 8 LEU HD13 . 18912 1
61 . 1 1 8 8 LEU HD21 H 1 0.9726 0.03 . 2 . . . A 8 LEU HD21 . 18912 1
62 . 1 1 8 8 LEU HD22 H 1 0.9726 0.03 . 2 . . . A 8 LEU HD22 . 18912 1
63 . 1 1 8 8 LEU HD23 H 1 0.9726 0.03 . 2 . . . A 8 LEU HD23 . 18912 1
64 . 1 1 8 8 LEU N N 15 118.6954 0.50 . 1 . . . A 8 LEU N . 18912 1
65 . 1 1 9 9 GLU H H 1 8.2496 0.03 . 1 . . . A 9 GLU H . 18912 1
66 . 1 1 9 9 GLU HA H 1 4.3080 0.03 . 1 . . . A 9 GLU HA . 18912 1
67 . 1 1 9 9 GLU HB2 H 1 1.9896 0.03 . 2 . . . A 9 GLU HB2 . 18912 1
68 . 1 1 9 9 GLU HB3 H 1 1.8695 0.03 . 2 . . . A 9 GLU HB3 . 18912 1
69 . 1 1 9 9 GLU HG2 H 1 2.3945 0.03 . 2 . . . A 9 GLU HG2 . 18912 1
70 . 1 1 9 9 GLU HG3 H 1 2.3945 0.03 . 2 . . . A 9 GLU HG3 . 18912 1
71 . 1 1 9 9 GLU CA C 13 55.6275 0.90 . 1 . . . A 9 GLU CA . 18912 1
72 . 1 1 9 9 GLU CB C 13 31.7784 0.90 . 1 . . . A 9 GLU CB . 18912 1
73 . 1 1 9 9 GLU CG C 13 36.5684 0.90 . 1 . . . A 9 GLU CG . 18912 1
74 . 1 1 10 10 SER H H 1 8.8855 0.03 . 1 . . . A 10 SER H . 18912 1
75 . 1 1 10 10 SER HA H 1 5.0628 0.03 . 1 . . . A 10 SER HA . 18912 1
76 . 1 1 10 10 SER HB2 H 1 4.0464 0.03 . 2 . . . A 10 SER HB2 . 18912 1
77 . 1 1 10 10 SER HB3 H 1 4.0464 0.03 . 2 . . . A 10 SER HB3 . 18912 1
78 . 1 1 10 10 SER N N 15 120.9433 0.50 . 1 . . . A 10 SER N . 18912 1
79 . 1 1 11 11 CYS H H 1 8.0937 0.03 . 1 . . . A 11 CYS H . 18912 1
80 . 1 1 11 11 CYS HA H 1 4.8434 0.03 . 1 . . . A 11 CYS HA . 18912 1
81 . 1 1 11 11 CYS HB2 H 1 3.0880 0.03 . 2 . . . A 11 CYS HB2 . 18912 1
82 . 1 1 11 11 CYS HB3 H 1 3.4304 0.03 . 2 . . . A 11 CYS HB3 . 18912 1
83 . 1 1 11 11 CYS N N 15 118.2949 0.50 . 1 . . . A 11 CYS N . 18912 1
84 . 1 1 12 12 ALA H H 1 8.4190 0.03 . 1 . . . A 12 ALA H . 18912 1
85 . 1 1 12 12 ALA HA H 1 4.7942 0.03 . 1 . . . A 12 ALA HA . 18912 1
86 . 1 1 12 12 ALA HB1 H 1 1.2983 0.03 . 1 . . . A 12 ALA HB1 . 18912 1
87 . 1 1 12 12 ALA HB2 H 1 1.2983 0.03 . 1 . . . A 12 ALA HB2 . 18912 1
88 . 1 1 12 12 ALA HB3 H 1 1.2983 0.03 . 1 . . . A 12 ALA HB3 . 18912 1
89 . 1 1 12 12 ALA N N 15 123.0868 0.50 . 1 . . . A 12 ALA N . 18912 1
90 . 1 1 13 13 CYS H H 1 9.1743 0.03 . 1 . . . A 13 CYS H . 18912 1
91 . 1 1 13 13 CYS HA H 1 4.2033 0.03 . 1 . . . A 13 CYS HA . 18912 1
92 . 1 1 13 13 CYS HB2 H 1 2.9760 0.03 . 2 . . . A 13 CYS HB2 . 18912 1
93 . 1 1 13 13 CYS HB3 H 1 3.1413 0.03 . 2 . . . A 13 CYS HB3 . 18912 1
94 . 1 1 13 13 CYS N N 15 123.5106 0.50 . 1 . . . A 13 CYS N . 18912 1
95 . 1 1 14 14 ASN H H 1 8.2904 0.03 . 1 . . . A 14 ASN H . 18912 1
96 . 1 1 14 14 ASN HA H 1 4.5132 0.03 . 1 . . . A 14 ASN HA . 18912 1
97 . 1 1 14 14 ASN HB2 H 1 2.7210 0.03 . 2 . . . A 14 ASN HB2 . 18912 1
98 . 1 1 14 14 ASN HB3 H 1 2.7210 0.03 . 2 . . . A 14 ASN HB3 . 18912 1
99 . 1 1 14 14 ASN HD21 H 1 7.5940 0.03 . 2 . . . A 14 ASN HD21 . 18912 1
100 . 1 1 14 14 ASN HD22 H 1 6.8789 0.03 . 2 . . . A 14 ASN HD22 . 18912 1
101 . 1 1 14 14 ASN N N 15 118.2917 0.50 . 1 . . . A 14 ASN N . 18912 1
102 . 1 1 14 14 ASN ND2 N 15 112.5405 0.50 . 1 . . . A 14 ASN ND2 . 18912 1
103 . 1 1 15 15 GLU H H 1 8.1965 0.03 . 1 . . . A 15 GLU H . 18912 1
104 . 1 1 15 15 GLU HA H 1 4.4716 0.03 . 1 . . . A 15 GLU HA . 18912 1
105 . 1 1 15 15 GLU HB2 H 1 1.9905 0.03 . 2 . . . A 15 GLU HB2 . 18912 1
106 . 1 1 15 15 GLU HB3 H 1 2.1787 0.03 . 2 . . . A 15 GLU HB3 . 18912 1
107 . 1 1 15 15 GLU HG2 H 1 2.2939 0.03 . 2 . . . A 15 GLU HG2 . 18912 1
108 . 1 1 15 15 GLU HG3 H 1 2.4691 0.03 . 2 . . . A 15 GLU HG3 . 18912 1
109 . 1 1 15 15 GLU N N 15 119.0649 0.50 . 1 . . . A 15 GLU N . 18912 1
110 . 1 1 16 16 THR HA H 1 3.8229 0.03 . 1 . . . A 16 THR HA . 18912 1
111 . 1 1 16 16 THR HB H 1 4.0994 0.03 . 1 . . . A 16 THR HB . 18912 1
112 . 1 1 16 16 THR HG21 H 1 1.1696 0.03 . 1 . . . A 16 THR HG21 . 18912 1
113 . 1 1 16 16 THR HG22 H 1 1.1696 0.03 . 1 . . . A 16 THR HG22 . 18912 1
114 . 1 1 16 16 THR HG23 H 1 1.1696 0.03 . 1 . . . A 16 THR HG23 . 18912 1
115 . 1 1 16 16 THR CA C 13 67.2004 0.90 . 1 . . . A 16 THR CA . 18912 1
116 . 1 1 16 16 THR CB C 13 68.3816 0.90 . 1 . . . A 16 THR CB . 18912 1
117 . 1 1 16 16 THR CG2 C 13 22.9342 0.90 . 1 . . . A 16 THR CG2 . 18912 1
118 . 1 1 17 17 ASP HA H 1 4.4823 0.03 . 1 . . . A 17 ASP HA . 18912 1
119 . 1 1 17 17 ASP HB2 H 1 2.7333 0.03 . 2 . . . A 17 ASP HB2 . 18912 1
120 . 1 1 17 17 ASP HB3 H 1 2.4973 0.03 . 2 . . . A 17 ASP HB3 . 18912 1
121 . 1 1 17 17 ASP CA C 13 56.4826 0.90 . 1 . . . A 17 ASP CA . 18912 1
122 . 1 1 17 17 ASP CB C 13 40.0038 0.90 . 1 . . . A 17 ASP CB . 18912 1
123 . 1 1 18 18 ASN H H 1 7.6058 0.03 . 1 . . . A 18 ASN H . 18912 1
124 . 1 1 18 18 ASN HA H 1 4.9743 0.03 . 1 . . . A 18 ASN HA . 18912 1
125 . 1 1 18 18 ASN HB2 H 1 2.7071 0.03 . 2 . . . A 18 ASN HB2 . 18912 1
126 . 1 1 18 18 ASN HB3 H 1 3.2804 0.03 . 2 . . . A 18 ASN HB3 . 18912 1
127 . 1 1 18 18 ASN HD21 H 1 7.7536 0.03 . 2 . . . A 18 ASN HD21 . 18912 1
128 . 1 1 18 18 ASN HD22 H 1 7.1323 0.03 . 2 . . . A 18 ASN HD22 . 18912 1
129 . 1 1 18 18 ASN N N 15 114.9248 0.50 . 1 . . . A 18 ASN N . 18912 1
130 . 1 1 18 18 ASN ND2 N 15 113.0092 0.50 . 1 . . . A 18 ASN ND2 . 18912 1
131 . 1 1 19 19 SER H H 1 7.7024 0.03 . 1 . . . A 19 SER H . 18912 1
132 . 1 1 19 19 SER HA H 1 4.2091 0.03 . 1 . . . A 19 SER HA . 18912 1
133 . 1 1 19 19 SER HB2 H 1 3.9848 0.03 . 2 . . . A 19 SER HB2 . 18912 1
134 . 1 1 19 19 SER HB3 H 1 4.1501 0.03 . 2 . . . A 19 SER HB3 . 18912 1
135 . 1 1 19 19 SER N N 15 115.8663 0.50 . 1 . . . A 19 SER N . 18912 1
136 . 1 1 20 20 CYS H H 1 8.8107 0.03 . 1 . . . A 20 CYS H . 18912 1
137 . 1 1 20 20 CYS HA H 1 4.9781 0.03 . 1 . . . A 20 CYS HA . 18912 1
138 . 1 1 20 20 CYS HB2 H 1 2.4939 0.03 . 2 . . . A 20 CYS HB2 . 18912 1
139 . 1 1 20 20 CYS HB3 H 1 3.6803 0.03 . 2 . . . A 20 CYS HB3 . 18912 1
140 . 1 1 20 20 CYS N N 15 118.2658 0.50 . 1 . . . A 20 CYS N . 18912 1
141 . 1 1 21 21 LYS H H 1 7.7146 0.03 . 1 . . . A 21 LYS H . 18912 1
142 . 1 1 21 21 LYS HA H 1 5.1118 0.03 . 1 . . . A 21 LYS HA . 18912 1
143 . 1 1 21 21 LYS HB2 H 1 1.9388 0.03 . 2 . . . A 21 LYS HB2 . 18912 1
144 . 1 1 21 21 LYS HB3 H 1 2.0580 0.03 . 2 . . . A 21 LYS HB3 . 18912 1
145 . 1 1 21 21 LYS HG2 H 1 1.2584 0.03 . 2 . . . A 21 LYS HG2 . 18912 1
146 . 1 1 21 21 LYS HG3 H 1 1.2584 0.03 . 2 . . . A 21 LYS HG3 . 18912 1
147 . 1 1 21 21 LYS HD2 H 1 1.6906 0.03 . 2 . . . A 21 LYS HD2 . 18912 1
148 . 1 1 21 21 LYS HD3 H 1 1.6906 0.03 . 2 . . . A 21 LYS HD3 . 18912 1
149 . 1 1 21 21 LYS N N 15 120.5612 0.50 . 1 . . . A 21 LYS N . 18912 1
150 . 1 1 22 22 VAL H H 1 8.4217 0.03 . 1 . . . A 22 VAL H . 18912 1
151 . 1 1 22 22 VAL HA H 1 3.7553 0.03 . 1 . . . A 22 VAL HA . 18912 1
152 . 1 1 22 22 VAL HB H 1 1.7255 0.03 . 1 . . . A 22 VAL HB . 18912 1
153 . 1 1 22 22 VAL HG11 H 1 0.7406 0.03 . 2 . . . A 22 VAL HG11 . 18912 1
154 . 1 1 22 22 VAL HG12 H 1 0.7406 0.03 . 2 . . . A 22 VAL HG12 . 18912 1
155 . 1 1 22 22 VAL HG13 H 1 0.7406 0.03 . 2 . . . A 22 VAL HG13 . 18912 1
156 . 1 1 22 22 VAL HG21 H 1 0.6280 0.03 . 2 . . . A 22 VAL HG21 . 18912 1
157 . 1 1 22 22 VAL HG22 H 1 0.6280 0.03 . 2 . . . A 22 VAL HG22 . 18912 1
158 . 1 1 22 22 VAL HG23 H 1 0.6280 0.03 . 2 . . . A 22 VAL HG23 . 18912 1
159 . 1 1 22 22 VAL N N 15 119.6400 0.50 . 1 . . . A 22 VAL N . 18912 1
160 . 1 1 23 23 CYS H H 1 9.0301 0.03 . 1 . . . A 23 CYS H . 18912 1
161 . 1 1 23 23 CYS HA H 1 5.4009 0.03 . 1 . . . A 23 CYS HA . 18912 1
162 . 1 1 23 23 CYS HB2 H 1 2.9325 0.03 . 2 . . . A 23 CYS HB2 . 18912 1
163 . 1 1 23 23 CYS HB3 H 1 3.7067 0.03 . 2 . . . A 23 CYS HB3 . 18912 1
164 . 1 1 23 23 CYS N N 15 129.5689 0.50 . 1 . . . A 23 CYS N . 18912 1
165 . 1 1 24 24 CYS H H 1 8.7460 0.03 . 1 . . . A 24 CYS H . 18912 1
166 . 1 1 24 24 CYS HA H 1 5.3903 0.03 . 1 . . . A 24 CYS HA . 18912 1
167 . 1 1 24 24 CYS HB2 H 1 2.6761 0.03 . 2 . . . A 24 CYS HB2 . 18912 1
168 . 1 1 24 24 CYS HB3 H 1 2.9742 0.03 . 2 . . . A 24 CYS HB3 . 18912 1
169 . 1 1 24 24 CYS N N 15 116.3067 0.50 . 1 . . . A 24 CYS N . 18912 1
170 . 1 1 25 25 ARG H H 1 9.2191 0.03 . 1 . . . A 25 ARG H . 18912 1
171 . 1 1 25 25 ARG HA H 1 4.9328 0.03 . 1 . . . A 25 ARG HA . 18912 1
172 . 1 1 25 25 ARG HB2 H 1 1.5668 0.03 . 2 . . . A 25 ARG HB2 . 18912 1
173 . 1 1 25 25 ARG HB3 H 1 1.7442 0.03 . 2 . . . A 25 ARG HB3 . 18912 1
174 . 1 1 25 25 ARG HG2 H 1 1.3221 0.03 . 2 . . . A 25 ARG HG2 . 18912 1
175 . 1 1 25 25 ARG HG3 H 1 1.5668 0.03 . 2 . . . A 25 ARG HG3 . 18912 1
176 . 1 1 25 25 ARG HD2 H 1 3.1298 0.03 . 2 . . . A 25 ARG HD2 . 18912 1
177 . 1 1 25 25 ARG HD3 H 1 3.1298 0.03 . 2 . . . A 25 ARG HD3 . 18912 1
178 . 1 1 25 25 ARG N N 15 125.2393 0.50 . 1 . . . A 25 ARG N . 18912 1
179 . 1 1 26 26 ASP H H 1 8.8255 0.03 . 1 . . . A 26 ASP H . 18912 1
180 . 1 1 26 26 ASP HA H 1 4.6912 0.03 . 1 . . . A 26 ASP HA . 18912 1
181 . 1 1 26 26 ASP HB2 H 1 2.6878 0.03 . 2 . . . A 26 ASP HB2 . 18912 1
182 . 1 1 26 26 ASP HB3 H 1 3.3544 0.03 . 2 . . . A 26 ASP HB3 . 18912 1
183 . 1 1 26 26 ASP N N 15 125.7074 0.50 . 1 . . . A 26 ASP N . 18912 1
184 . 1 1 27 27 LEU H H 1 8.2375 0.03 . 1 . . . A 27 LEU H . 18912 1
185 . 1 1 27 27 LEU HA H 1 4.1632 0.03 . 1 . . . A 27 LEU HA . 18912 1
186 . 1 1 27 27 LEU HB2 H 1 1.7656 0.03 . 2 . . . A 27 LEU HB2 . 18912 1
187 . 1 1 27 27 LEU HB3 H 1 1.6292 0.03 . 2 . . . A 27 LEU HB3 . 18912 1
188 . 1 1 27 27 LEU HG H 1 1.7724 0.03 . 1 . . . A 27 LEU HG . 18912 1
189 . 1 1 27 27 LEU HD11 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD11 . 18912 1
190 . 1 1 27 27 LEU HD12 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD12 . 18912 1
191 . 1 1 27 27 LEU HD13 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD13 . 18912 1
192 . 1 1 27 27 LEU HD21 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD21 . 18912 1
193 . 1 1 27 27 LEU HD22 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD22 . 18912 1
194 . 1 1 27 27 LEU HD23 H 1 0.9151 0.03 . 2 . . . A 27 LEU HD23 . 18912 1
195 . 1 1 27 27 LEU N N 15 117.6823 0.50 . 1 . . . A 27 LEU N . 18912 1
196 . 1 1 28 28 SER H H 1 8.4134 0.03 . 1 . . . A 28 SER H . 18912 1
197 . 1 1 28 28 SER HA H 1 4.5498 0.03 . 1 . . . A 28 SER HA . 18912 1
198 . 1 1 28 28 SER HB2 H 1 4.0580 0.03 . 2 . . . A 28 SER HB2 . 18912 1
199 . 1 1 28 28 SER HB3 H 1 3.9526 0.03 . 2 . . . A 28 SER HB3 . 18912 1
200 . 1 1 28 28 SER N N 15 115.3278 0.50 . 1 . . . A 28 SER N . 18912 1
201 . 1 1 29 29 GLY H H 1 8.2960 0.03 . 1 . . . A 29 GLY H . 18912 1
202 . 1 1 29 29 GLY HA2 H 1 3.5864 0.03 . 2 . . . A 29 GLY HA2 . 18912 1
203 . 1 1 29 29 GLY HA3 H 1 4.3928 0.03 . 2 . . . A 29 GLY HA3 . 18912 1
204 . 1 1 29 29 GLY N N 15 110.4807 0.50 . 1 . . . A 29 GLY N . 18912 1
205 . 1 1 30 30 ARG H H 1 8.1801 0.03 . 1 . . . A 30 ARG H . 18912 1
206 . 1 1 30 30 ARG HA H 1 4.2684 0.03 . 1 . . . A 30 ARG HA . 18912 1
207 . 1 1 30 30 ARG HD2 H 1 3.1517 0.03 . 2 . . . A 30 ARG HD2 . 18912 1
208 . 1 1 30 30 ARG HD3 H 1 3.1517 0.03 . 2 . . . A 30 ARG HD3 . 18912 1
209 . 1 1 30 30 ARG N N 15 123.8951 0.50 . 1 . . . A 30 ARG N . 18912 1
210 . 1 1 31 31 CYS H H 1 9.0299 0.03 . 1 . . . A 31 CYS H . 18912 1
211 . 1 1 31 31 CYS HA H 1 4.8375 0.03 . 1 . . . A 31 CYS HA . 18912 1
212 . 1 1 31 31 CYS HB2 H 1 2.7360 0.03 . 2 . . . A 31 CYS HB2 . 18912 1
213 . 1 1 31 31 CYS HB3 H 1 3.0676 0.03 . 2 . . . A 31 CYS HB3 . 18912 1
214 . 1 1 31 31 CYS N N 15 124.7494 0.50 . 1 . . . A 31 CYS N . 18912 1
215 . 1 1 32 32 VAL H H 1 8.6341 0.03 . 1 . . . A 32 VAL H . 18912 1
216 . 1 1 32 32 VAL HA H 1 5.0560 0.03 . 1 . . . A 32 VAL HA . 18912 1
217 . 1 1 32 32 VAL HB H 1 2.1868 0.03 . 1 . . . A 32 VAL HB . 18912 1
218 . 1 1 32 32 VAL HG11 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG11 . 18912 1
219 . 1 1 32 32 VAL HG12 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG12 . 18912 1
220 . 1 1 32 32 VAL HG13 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG13 . 18912 1
221 . 1 1 32 32 VAL HG21 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG21 . 18912 1
222 . 1 1 32 32 VAL HG22 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG22 . 18912 1
223 . 1 1 32 32 VAL HG23 H 1 0.8678 0.03 . 2 . . . A 32 VAL HG23 . 18912 1
224 . 1 1 32 32 VAL N N 15 125.1794 0.50 . 1 . . . A 32 VAL N . 18912 1
225 . 1 1 33 33 PRO HA H 1 5.1048 0.03 . 1 . . . A 33 PRO HA . 18912 1
226 . 1 1 33 33 PRO HD2 H 1 4.0021 0.03 . 2 . . . A 33 PRO HD2 . 18912 1
227 . 1 1 33 33 PRO HD3 H 1 3.6006 0.03 . 2 . . . A 33 PRO HD3 . 18912 1
228 . 1 1 34 34 TYR H H 1 8.8996 0.03 . 1 . . . A 34 TYR H . 18912 1
229 . 1 1 34 34 TYR HA H 1 4.4193 0.03 . 1 . . . A 34 TYR HA . 18912 1
230 . 1 1 34 34 TYR HB2 H 1 2.5964 0.03 . 2 . . . A 34 TYR HB2 . 18912 1
231 . 1 1 34 34 TYR HB3 H 1 3.1432 0.03 . 2 . . . A 34 TYR HB3 . 18912 1
232 . 1 1 34 34 TYR HD1 H 1 6.8854 0.03 . 3 . . . A 34 TYR HD1 . 18912 1
233 . 1 1 34 34 TYR HD2 H 1 6.8854 0.03 . 3 . . . A 34 TYR HD2 . 18912 1
234 . 1 1 34 34 TYR HE1 H 1 6.6658 0.03 . 3 . . . A 34 TYR HE1 . 18912 1
235 . 1 1 34 34 TYR HE2 H 1 6.6658 0.03 . 3 . . . A 34 TYR HE2 . 18912 1
236 . 1 1 34 34 TYR N N 15 125.9346 0.50 . 1 . . . A 34 TYR N . 18912 1
237 . 1 1 35 35 VAL H H 1 7.3469 0.03 . 1 . . . A 35 VAL H . 18912 1
238 . 1 1 35 35 VAL HA H 1 4.1793 0.03 . 1 . . . A 35 VAL HA . 18912 1
239 . 1 1 35 35 VAL HB H 1 1.5574 0.03 . 1 . . . A 35 VAL HB . 18912 1
240 . 1 1 35 35 VAL HG11 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG11 . 18912 1
241 . 1 1 35 35 VAL HG12 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG12 . 18912 1
242 . 1 1 35 35 VAL HG13 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG13 . 18912 1
243 . 1 1 35 35 VAL HG21 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG21 . 18912 1
244 . 1 1 35 35 VAL HG22 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG22 . 18912 1
245 . 1 1 35 35 VAL HG23 H 1 0.6763 0.03 . 2 . . . A 35 VAL HG23 . 18912 1
246 . 1 1 35 35 VAL N N 15 128.1549 0.50 . 1 . . . A 35 VAL N . 18912 1
247 . 1 1 36 36 ASP H H 1 8.3667 0.03 . 1 . . . A 36 ASP H . 18912 1
248 . 1 1 36 36 ASP HA H 1 4.3547 0.03 . 1 . . . A 36 ASP HA . 18912 1
249 . 1 1 36 36 ASP HB2 H 1 2.6103 0.03 . 2 . . . A 36 ASP HB2 . 18912 1
250 . 1 1 36 36 ASP HB3 H 1 3.3898 0.03 . 2 . . . A 36 ASP HB3 . 18912 1
251 . 1 1 36 36 ASP N N 15 125.1461 0.50 . 1 . . . A 36 ASP N . 18912 1
252 . 1 1 37 37 ALA H H 1 8.2152 0.03 . 1 . . . A 37 ALA H . 18912 1
253 . 1 1 37 37 ALA HA H 1 4.1272 0.03 . 1 . . . A 37 ALA HA . 18912 1
254 . 1 1 37 37 ALA HB1 H 1 1.4760 0.03 . 1 . . . A 37 ALA HB1 . 18912 1
255 . 1 1 37 37 ALA HB2 H 1 1.4760 0.03 . 1 . . . A 37 ALA HB2 . 18912 1
256 . 1 1 37 37 ALA HB3 H 1 1.4760 0.03 . 1 . . . A 37 ALA HB3 . 18912 1
257 . 1 1 37 37 ALA N N 15 119.1659 0.50 . 1 . . . A 37 ALA N . 18912 1
258 . 1 1 38 38 GLU H H 1 8.2533 0.03 . 1 . . . A 38 GLU H . 18912 1
259 . 1 1 38 38 GLU HA H 1 4.3768 0.03 . 1 . . . A 38 GLU HA . 18912 1
260 . 1 1 38 38 GLU HB2 H 1 1.9274 0.03 . 2 . . . A 38 GLU HB2 . 18912 1
261 . 1 1 38 38 GLU HB3 H 1 2.2068 0.03 . 2 . . . A 38 GLU HB3 . 18912 1
262 . 1 1 38 38 GLU HG2 H 1 2.3668 0.03 . 2 . . . A 38 GLU HG2 . 18912 1
263 . 1 1 38 38 GLU HG3 H 1 2.3668 0.03 . 2 . . . A 38 GLU HG3 . 18912 1
264 . 1 1 38 38 GLU N N 15 117.7136 0.50 . 1 . . . A 38 GLU N . 18912 1
265 . 1 1 39 39 GLN H H 1 8.1447 0.03 . 1 . . . A 39 GLN H . 18912 1
266 . 1 1 39 39 GLN HA H 1 3.5741 0.03 . 1 . . . A 39 GLN HA . 18912 1
267 . 1 1 39 39 GLN HB2 H 1 2.3435 0.03 . 2 . . . A 39 GLN HB2 . 18912 1
268 . 1 1 39 39 GLN HB3 H 1 2.3435 0.03 . 2 . . . A 39 GLN HB3 . 18912 1
269 . 1 1 39 39 GLN HG2 H 1 2.2143 0.03 . 2 . . . A 39 GLN HG2 . 18912 1
270 . 1 1 39 39 GLN HG3 H 1 2.2143 0.03 . 2 . . . A 39 GLN HG3 . 18912 1
271 . 1 1 39 39 GLN HE21 H 1 7.3912 0.03 . 2 . . . A 39 GLN HE21 . 18912 1
272 . 1 1 39 39 GLN HE22 H 1 6.6823 0.03 . 2 . . . A 39 GLN HE22 . 18912 1
273 . 1 1 39 39 GLN N N 15 112.4329 0.50 . 1 . . . A 39 GLN N . 18912 1
274 . 1 1 39 39 GLN NE2 N 15 112.5405 0.50 . 1 . . . A 39 GLN NE2 . 18912 1
275 . 1 1 40 40 LYS H H 1 8.4358 0.03 . 1 . . . A 40 LYS H . 18912 1
276 . 1 1 40 40 LYS HA H 1 4.5019 0.03 . 1 . . . A 40 LYS HA . 18912 1
277 . 1 1 40 40 LYS HB2 H 1 1.9760 0.03 . 2 . . . A 40 LYS HB2 . 18912 1
278 . 1 1 40 40 LYS HB3 H 1 1.7398 0.03 . 2 . . . A 40 LYS HB3 . 18912 1
279 . 1 1 40 40 LYS HG2 H 1 1.3538 0.03 . 2 . . . A 40 LYS HG2 . 18912 1
280 . 1 1 40 40 LYS HG3 H 1 1.3538 0.03 . 2 . . . A 40 LYS HG3 . 18912 1
281 . 1 1 40 40 LYS HD2 H 1 1.6517 0.03 . 2 . . . A 40 LYS HD2 . 18912 1
282 . 1 1 40 40 LYS HD3 H 1 1.6517 0.03 . 2 . . . A 40 LYS HD3 . 18912 1
283 . 1 1 40 40 LYS HE3 H 1 2.9820 0.03 . 2 . . . A 40 LYS HE3 . 18912 1
284 . 1 1 40 40 LYS N N 15 120.0917 0.50 . 1 . . . A 40 LYS N . 18912 1
285 . 1 1 41 41 ASN H H 1 8.1507 0.03 . 1 . . . A 41 ASN H . 18912 1
286 . 1 1 41 41 ASN HA H 1 4.9252 0.03 . 1 . . . A 41 ASN HA . 18912 1
287 . 1 1 41 41 ASN HB2 H 1 2.0882 0.03 . 2 . . . A 41 ASN HB2 . 18912 1
288 . 1 1 41 41 ASN HB3 H 1 3.1400 0.03 . 2 . . . A 41 ASN HB3 . 18912 1
289 . 1 1 41 41 ASN HD21 H 1 7.5250 0.03 . 2 . . . A 41 ASN HD21 . 18912 1
290 . 1 1 41 41 ASN HD22 H 1 7.3621 0.03 . 2 . . . A 41 ASN HD22 . 18912 1
291 . 1 1 41 41 ASN N N 15 115.7667 0.50 . 1 . . . A 41 ASN N . 18912 1
292 . 1 1 41 41 ASN ND2 N 15 108.7906 0.50 . 1 . . . A 41 ASN ND2 . 18912 1
293 . 1 1 42 42 LEU H H 1 9.1298 0.03 . 1 . . . A 42 LEU H . 18912 1
294 . 1 1 42 42 LEU HA H 1 4.3196 0.03 . 1 . . . A 42 LEU HA . 18912 1
295 . 1 1 42 42 LEU HB2 H 1 1.2210 0.03 . 2 . . . A 42 LEU HB2 . 18912 1
296 . 1 1 42 42 LEU HB3 H 1 1.2210 0.03 . 2 . . . A 42 LEU HB3 . 18912 1
297 . 1 1 42 42 LEU HG H 1 1.3886 0.03 . 1 . . . A 42 LEU HG . 18912 1
298 . 1 1 42 42 LEU HD11 H 1 0.3692 0.03 . 2 . . . A 42 LEU HD11 . 18912 1
299 . 1 1 42 42 LEU HD12 H 1 0.3692 0.03 . 2 . . . A 42 LEU HD12 . 18912 1
300 . 1 1 42 42 LEU HD13 H 1 0.3692 0.03 . 2 . . . A 42 LEU HD13 . 18912 1
301 . 1 1 42 42 LEU HD21 H 1 0.5331 0.03 . 2 . . . A 42 LEU HD21 . 18912 1
302 . 1 1 42 42 LEU HD22 H 1 0.5331 0.03 . 2 . . . A 42 LEU HD22 . 18912 1
303 . 1 1 42 42 LEU HD23 H 1 0.5331 0.03 . 2 . . . A 42 LEU HD23 . 18912 1
304 . 1 1 42 42 LEU N N 15 121.1548 0.50 . 1 . . . A 42 LEU N . 18912 1
305 . 1 1 43 43 PHE H H 1 8.4057 0.03 . 1 . . . A 43 PHE H . 18912 1
306 . 1 1 43 43 PHE HA H 1 5.4652 0.03 . 1 . . . A 43 PHE HA . 18912 1
307 . 1 1 43 43 PHE HB2 H 1 2.7532 0.03 . 2 . . . A 43 PHE HB2 . 18912 1
308 . 1 1 43 43 PHE HB3 H 1 3.3876 0.03 . 2 . . . A 43 PHE HB3 . 18912 1
309 . 1 1 43 43 PHE N N 15 120.5090 0.50 . 1 . . . A 43 PHE N . 18912 1
310 . 1 1 44 44 LEU H H 1 8.4274 0.03 . 1 . . . A 44 LEU H . 18912 1
311 . 1 1 44 44 LEU HA H 1 4.2776 0.03 . 1 . . . A 44 LEU HA . 18912 1
312 . 1 1 44 44 LEU HB2 H 1 1.7932 0.03 . 2 . . . A 44 LEU HB2 . 18912 1
313 . 1 1 44 44 LEU HB3 H 1 1.4772 0.03 . 2 . . . A 44 LEU HB3 . 18912 1
314 . 1 1 44 44 LEU N N 15 120.9777 0.50 . 1 . . . A 44 LEU N . 18912 1
315 . 1 1 45 45 ARG H H 1 8.2909 0.03 . 1 . . . A 45 ARG H . 18912 1
316 . 1 1 45 45 ARG HA H 1 4.0440 0.03 . 1 . . . A 45 ARG HA . 18912 1
317 . 1 1 45 45 ARG HB2 H 1 1.7700 0.03 . 2 . . . A 45 ARG HB2 . 18912 1
318 . 1 1 45 45 ARG HB3 H 1 1.7700 0.03 . 2 . . . A 45 ARG HB3 . 18912 1
319 . 1 1 45 45 ARG N N 15 120.0739 0.50 . 1 . . . A 45 ARG N . 18912 1
320 . 1 1 46 46 LYS H H 1 8.1095 0.03 . 1 . . . A 46 LYS H . 18912 1
321 . 1 1 46 46 LYS HA H 1 3.8084 0.03 . 1 . . . A 46 LYS HA . 18912 1
322 . 1 1 46 46 LYS N N 15 121.7065 0.50 . 1 . . . A 46 LYS N . 18912 1
323 . 1 1 47 47 GLY H H 1 9.5143 0.03 . 1 . . . A 47 GLY H . 18912 1
324 . 1 1 47 47 GLY HA2 H 1 3.5919 0.03 . 2 . . . A 47 GLY HA2 . 18912 1
325 . 1 1 47 47 GLY HA3 H 1 4.4083 0.03 . 2 . . . A 47 GLY HA3 . 18912 1
326 . 1 1 47 47 GLY N N 15 114.9917 0.50 . 1 . . . A 47 GLY N . 18912 1
327 . 1 1 48 48 LYS H H 1 7.8554 0.03 . 1 . . . A 48 LYS H . 18912 1
328 . 1 1 48 48 LYS HA H 1 4.5841 0.03 . 1 . . . A 48 LYS HA . 18912 1
329 . 1 1 48 48 LYS HB2 H 1 1.8974 0.03 . 2 . . . A 48 LYS HB2 . 18912 1
330 . 1 1 48 48 LYS HB3 H 1 1.8974 0.03 . 2 . . . A 48 LYS HB3 . 18912 1
331 . 1 1 48 48 LYS N N 15 122.5647 0.50 . 1 . . . A 48 LYS N . 18912 1
332 . 1 1 49 49 PRO HA H 1 4.5092 0.03 . 1 . . . A 49 PRO HA . 18912 1
333 . 1 1 50 50 CYS H H 1 8.2739 0.03 . 1 . . . A 50 CYS H . 18912 1
334 . 1 1 50 50 CYS HA H 1 4.9389 0.03 . 1 . . . A 50 CYS HA . 18912 1
335 . 1 1 50 50 CYS HB2 H 1 3.1463 0.03 . 2 . . . A 50 CYS HB2 . 18912 1
336 . 1 1 50 50 CYS HB3 H 1 3.5741 0.03 . 2 . . . A 50 CYS HB3 . 18912 1
337 . 1 1 50 50 CYS N N 15 118.6015 0.50 . 1 . . . A 50 CYS N . 18912 1
338 . 1 1 51 51 THR H H 1 7.4983 0.03 . 1 . . . A 51 THR H . 18912 1
339 . 1 1 51 51 THR HA H 1 3.7983 0.03 . 1 . . . A 51 THR HA . 18912 1
340 . 1 1 51 51 THR HB H 1 4.0355 0.03 . 1 . . . A 51 THR HB . 18912 1
341 . 1 1 51 51 THR HG21 H 1 1.2464 0.03 . 1 . . . A 51 THR HG21 . 18912 1
342 . 1 1 51 51 THR HG22 H 1 1.2464 0.03 . 1 . . . A 51 THR HG22 . 18912 1
343 . 1 1 51 51 THR HG23 H 1 1.2464 0.03 . 1 . . . A 51 THR HG23 . 18912 1
344 . 1 1 51 51 THR N N 15 112.4834 0.50 . 1 . . . A 51 THR N . 18912 1
345 . 1 1 52 52 VAL H H 1 6.6724 0.03 . 1 . . . A 52 VAL H . 18912 1
346 . 1 1 52 52 VAL HA H 1 4.6026 0.03 . 1 . . . A 52 VAL HA . 18912 1
347 . 1 1 52 52 VAL HB H 1 2.4881 0.03 . 1 . . . A 52 VAL HB . 18912 1
348 . 1 1 52 52 VAL HG11 H 1 0.5610 0.03 . 2 . . . A 52 VAL HG11 . 18912 1
349 . 1 1 52 52 VAL HG12 H 1 0.5610 0.03 . 2 . . . A 52 VAL HG12 . 18912 1
350 . 1 1 52 52 VAL HG13 H 1 0.5610 0.03 . 2 . . . A 52 VAL HG13 . 18912 1
351 . 1 1 52 52 VAL HG21 H 1 0.7997 0.03 . 2 . . . A 52 VAL HG21 . 18912 1
352 . 1 1 52 52 VAL HG22 H 1 0.7997 0.03 . 2 . . . A 52 VAL HG22 . 18912 1
353 . 1 1 52 52 VAL HG23 H 1 0.7997 0.03 . 2 . . . A 52 VAL HG23 . 18912 1
354 . 1 1 52 52 VAL N N 15 108.4036 0.50 . 1 . . . A 52 VAL N . 18912 1
355 . 1 1 53 53 GLY H H 1 6.4815 0.03 . 1 . . . A 53 GLY H . 18912 1
356 . 1 1 53 53 GLY HA2 H 1 3.2576 0.03 . 2 . . . A 53 GLY HA2 . 18912 1
357 . 1 1 53 53 GLY HA3 H 1 4.2145 0.03 . 2 . . . A 53 GLY HA3 . 18912 1
358 . 1 1 53 53 GLY N N 15 109.2218 0.50 . 1 . . . A 53 GLY N . 18912 1
359 . 1 1 54 54 PHE H H 1 9.3141 0.03 . 1 . . . A 54 PHE H . 18912 1
360 . 1 1 54 54 PHE HA H 1 5.1284 0.03 . 1 . . . A 54 PHE HA . 18912 1
361 . 1 1 54 54 PHE HB2 H 1 2.7395 0.03 . 2 . . . A 54 PHE HB2 . 18912 1
362 . 1 1 54 54 PHE HB3 H 1 2.7395 0.03 . 2 . . . A 54 PHE HB3 . 18912 1
363 . 1 1 54 54 PHE N N 15 127.0648 0.50 . 1 . . . A 54 PHE N . 18912 1
364 . 1 1 55 55 CYS H H 1 9.3754 0.03 . 1 . . . A 55 CYS H . 18912 1
365 . 1 1 55 55 CYS HA H 1 5.1206 0.03 . 1 . . . A 55 CYS HA . 18912 1
366 . 1 1 55 55 CYS HB2 H 1 2.8682 0.03 . 2 . . . A 55 CYS HB2 . 18912 1
367 . 1 1 55 55 CYS HB3 H 1 3.4680 0.03 . 2 . . . A 55 CYS HB3 . 18912 1
368 . 1 1 55 55 CYS N N 15 121.9008 0.50 . 1 . . . A 55 CYS N . 18912 1
369 . 1 1 56 56 ASP H H 1 9.1347 0.03 . 1 . . . A 56 ASP H . 18912 1
370 . 1 1 56 56 ASP HA H 1 4.7850 0.03 . 1 . . . A 56 ASP HA . 18912 1
371 . 1 1 56 56 ASP HB2 H 1 2.8439 0.03 . 2 . . . A 56 ASP HB2 . 18912 1
372 . 1 1 56 56 ASP HB3 H 1 3.2597 0.03 . 2 . . . A 56 ASP HB3 . 18912 1
373 . 1 1 56 56 ASP N N 15 127.0316 0.50 . 1 . . . A 56 ASP N . 18912 1
374 . 1 1 57 57 MET H H 1 8.2464 0.03 . 1 . . . A 57 MET H . 18912 1
375 . 1 1 57 57 MET HA H 1 4.4053 0.03 . 1 . . . A 57 MET HA . 18912 1
376 . 1 1 57 57 MET HB2 H 1 2.0815 0.03 . 2 . . . A 57 MET HB2 . 18912 1
377 . 1 1 57 57 MET HG2 H 1 2.6258 0.03 . 2 . . . A 57 MET HG2 . 18912 1
378 . 1 1 57 57 MET HG3 H 1 2.6258 0.03 . 2 . . . A 57 MET HG3 . 18912 1
379 . 1 1 57 57 MET N N 15 113.7815 0.50 . 1 . . . A 57 MET N . 18912 1
380 . 1 1 58 58 ASN H H 1 8.6784 0.03 . 1 . . . A 58 ASN H . 18912 1
381 . 1 1 58 58 ASN HA H 1 4.6513 0.03 . 1 . . . A 58 ASN HA . 18912 1
382 . 1 1 58 58 ASN HB2 H 1 2.4911 0.03 . 2 . . . A 58 ASN HB2 . 18912 1
383 . 1 1 58 58 ASN HB3 H 1 2.7899 0.03 . 2 . . . A 58 ASN HB3 . 18912 1
384 . 1 1 58 58 ASN HD21 H 1 7.6151 0.03 . 2 . . . A 58 ASN HD21 . 18912 1
385 . 1 1 58 58 ASN HD22 H 1 6.8353 0.03 . 2 . . . A 58 ASN HD22 . 18912 1
386 . 1 1 58 58 ASN N N 15 118.4526 0.50 . 1 . . . A 58 ASN N . 18912 1
387 . 1 1 58 58 ASN ND2 N 15 114.4154 0.50 . 1 . . . A 58 ASN ND2 . 18912 1
388 . 1 1 59 59 GLY H H 1 7.8203 0.03 . 1 . . . A 59 GLY H . 18912 1
389 . 1 1 59 59 GLY HA2 H 1 3.0575 0.03 . 2 . . . A 59 GLY HA2 . 18912 1
390 . 1 1 59 59 GLY HA3 H 1 3.5668 0.03 . 2 . . . A 59 GLY HA3 . 18912 1
391 . 1 1 59 59 GLY N N 15 107.4882 0.50 . 1 . . . A 59 GLY N . 18912 1
392 . 1 1 60 60 LYS H H 1 8.4711 0.03 . 1 . . . A 60 LYS H . 18912 1
393 . 1 1 60 60 LYS HA H 1 4.4144 0.03 . 1 . . . A 60 LYS HA . 18912 1
394 . 1 1 60 60 LYS HB2 H 1 1.6016 0.03 . 2 . . . A 60 LYS HB2 . 18912 1
395 . 1 1 60 60 LYS HB3 H 1 1.7490 0.03 . 2 . . . A 60 LYS HB3 . 18912 1
396 . 1 1 60 60 LYS HG2 H 1 1.1000 0.03 . 2 . . . A 60 LYS HG2 . 18912 1
397 . 1 1 60 60 LYS HG3 H 1 1.2655 0.03 . 2 . . . A 60 LYS HG3 . 18912 1
398 . 1 1 60 60 LYS N N 15 123.7428 0.50 . 1 . . . A 60 LYS N . 18912 1
399 . 1 1 61 61 CYS H H 1 8.6134 0.03 . 1 . . . A 61 CYS H . 18912 1
400 . 1 1 61 61 CYS HA H 1 4.5991 0.03 . 1 . . . A 61 CYS HA . 18912 1
401 . 1 1 61 61 CYS HB2 H 1 3.1046 0.03 . 2 . . . A 61 CYS HB2 . 18912 1
402 . 1 1 61 61 CYS HB3 H 1 2.8066 0.03 . 2 . . . A 61 CYS HB3 . 18912 1
403 . 1 1 61 61 CYS N N 15 124.7106 0.50 . 1 . . . A 61 CYS N . 18912 1
404 . 1 1 62 62 GLU H H 1 8.3923 0.03 . 1 . . . A 62 GLU H . 18912 1
405 . 1 1 62 62 GLU HA H 1 4.2753 0.03 . 1 . . . A 62 GLU HA . 18912 1
406 . 1 1 62 62 GLU HB2 H 1 1.9573 0.03 . 2 . . . A 62 GLU HB2 . 18912 1
407 . 1 1 62 62 GLU HB3 H 1 1.9573 0.03 . 2 . . . A 62 GLU HB3 . 18912 1
408 . 1 1 62 62 GLU HG2 H 1 2.1762 0.03 . 2 . . . A 62 GLU HG2 . 18912 1
409 . 1 1 62 62 GLU HG3 H 1 2.1762 0.03 . 2 . . . A 62 GLU HG3 . 18912 1
stop_
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