###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30807
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 30807 1
2 '3D 1H-13C NOESY' . . . 30807 1
3 '2D 1H-13C HSQC' . . . 30807 1
4 '3D HNCO' . . . 30807 1
5 '3D HNCACB' . . . 30807 1
6 '3D CBCA(CO)NH' . . . 30807 1
7 '3D H(CCO)NH' . . . 30807 1
8 '3D C(CO)NH' . . . 30807 1
9 '2D 1H-15N HSQC' . . . 30807 1
10 '2D 1H-13C HSQC aromatic' . . . 30807 1
11 '3D 1H-13C NOESY aliphatic' . . . 30807 1
12 '3D HCCH-TOCSY' . . . 30807 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 MET H H 1 8.162 0.000 . . . . . . A 1 MET H1 . 30807 1
2 . 1 . 1 1 1 MET HA H 1 4.383 0.000 . . . . . . A 1 MET HA . 30807 1
3 . 1 . 1 1 1 MET HB2 H 1 1.963 0.000 . . . . . . A 1 MET HB2 . 30807 1
4 . 1 . 1 1 1 MET HB3 H 1 1.963 0.000 . . . . . . A 1 MET HB3 . 30807 1
5 . 1 . 1 1 1 MET HG2 H 1 2.517 0.000 . . . . . . A 1 MET HG2 . 30807 1
6 . 1 . 1 1 1 MET HG3 H 1 2.517 0.000 . . . . . . A 1 MET HG3 . 30807 1
7 . 1 . 1 1 1 MET HE1 H 1 1.673 0.000 . . . . . . A 1 MET HE1 . 30807 1
8 . 1 . 1 1 1 MET HE2 H 1 1.673 0.000 . . . . . . A 1 MET HE2 . 30807 1
9 . 1 . 1 1 1 MET HE3 H 1 1.673 0.000 . . . . . . A 1 MET HE3 . 30807 1
10 . 1 . 1 1 1 MET C C 13 172.796 0.000 . . . . . . A 1 MET C . 30807 1
11 . 1 . 1 1 1 MET N N 15 120.591 0.000 . . . . . . A 1 MET N . 30807 1
12 . 1 . 1 2 2 ASN H H 1 8.251 0.002 . . . . . . A 2 ASN H . 30807 1
13 . 1 . 1 2 2 ASN HA H 1 5.013 0.005 . . . . . . A 2 ASN HA . 30807 1
14 . 1 . 1 2 2 ASN HB2 H 1 2.747 0.003 . . . . . . A 2 ASN HB2 . 30807 1
15 . 1 . 1 2 2 ASN HB3 H 1 2.376 0.003 . . . . . . A 2 ASN HB3 . 30807 1
16 . 1 . 1 2 2 ASN C C 13 172.915 0.000 . . . . . . A 2 ASN C . 30807 1
17 . 1 . 1 2 2 ASN CA C 13 51.982 0.112 . . . . . . A 2 ASN CA . 30807 1
18 . 1 . 1 2 2 ASN CB C 13 41.228 0.015 . . . . . . A 2 ASN CB . 30807 1
19 . 1 . 1 2 2 ASN N N 15 121.352 0.014 . . . . . . A 2 ASN N . 30807 1
20 . 1 . 1 3 3 THR H H 1 8.546 0.002 . . . . . . A 3 THR H . 30807 1
21 . 1 . 1 3 3 THR HA H 1 5.131 0.008 . . . . . . A 3 THR HA . 30807 1
22 . 1 . 1 3 3 THR HB H 1 3.585 0.005 . . . . . . A 3 THR HB . 30807 1
23 . 1 . 1 3 3 THR HG21 H 1 1.186 0.010 . . . . . . A 3 THR HG21 . 30807 1
24 . 1 . 1 3 3 THR HG22 H 1 1.186 0.010 . . . . . . A 3 THR HG22 . 30807 1
25 . 1 . 1 3 3 THR HG23 H 1 1.186 0.010 . . . . . . A 3 THR HG23 . 30807 1
26 . 1 . 1 3 3 THR C C 13 172.457 0.000 . . . . . . A 3 THR C . 30807 1
27 . 1 . 1 3 3 THR CA C 13 62.538 0.097 . . . . . . A 3 THR CA . 30807 1
28 . 1 . 1 3 3 THR CB C 13 70.725 0.095 . . . . . . A 3 THR CB . 30807 1
29 . 1 . 1 3 3 THR CG2 C 13 22.834 0.013 . . . . . . A 3 THR CG2 . 30807 1
30 . 1 . 1 3 3 THR N N 15 116.897 0.019 . . . . . . A 3 THR N . 30807 1
31 . 1 . 1 4 4 TYR H H 1 9.437 0.004 . . . . . . A 4 TYR H . 30807 1
32 . 1 . 1 4 4 TYR HA H 1 4.848 0.007 . . . . . . A 4 TYR HA . 30807 1
33 . 1 . 1 4 4 TYR HB2 H 1 2.481 0.016 . . . . . . A 4 TYR HB2 . 30807 1
34 . 1 . 1 4 4 TYR HB3 H 1 2.519 0.004 . . . . . . A 4 TYR HB3 . 30807 1
35 . 1 . 1 4 4 TYR HD1 H 1 6.657 0.008 . . . . . . A 4 TYR HD1 . 30807 1
36 . 1 . 1 4 4 TYR HD2 H 1 6.657 0.008 . . . . . . A 4 TYR HD2 . 30807 1
37 . 1 . 1 4 4 TYR HE1 H 1 6.572 0.000 . . . . . . A 4 TYR HE1 . 30807 1
38 . 1 . 1 4 4 TYR HE2 H 1 6.572 0.000 . . . . . . A 4 TYR HE2 . 30807 1
39 . 1 . 1 4 4 TYR C C 13 173.461 0.000 . . . . . . A 4 TYR C . 30807 1
40 . 1 . 1 4 4 TYR CA C 13 56.915 0.097 . . . . . . A 4 TYR CA . 30807 1
41 . 1 . 1 4 4 TYR CB C 13 41.047 0.017 . . . . . . A 4 TYR CB . 30807 1
42 . 1 . 1 4 4 TYR N N 15 124.523 0.019 . . . . . . A 4 TYR N . 30807 1
43 . 1 . 1 5 5 LEU H H 1 9.382 0.009 . . . . . . A 5 LEU H . 30807 1
44 . 1 . 1 5 5 LEU HA H 1 4.557 0.008 . . . . . . A 5 LEU HA . 30807 1
45 . 1 . 1 5 5 LEU HB2 H 1 1.826 0.003 . . . . . . A 5 LEU HB2 . 30807 1
46 . 1 . 1 5 5 LEU HB3 H 1 1.212 0.002 . . . . . . A 5 LEU HB3 . 30807 1
47 . 1 . 1 5 5 LEU HG H 1 0.861 0.000 . . . . . . A 5 LEU HG . 30807 1
48 . 1 . 1 5 5 LEU HD11 H 1 0.763 0.000 . . . . . . A 5 LEU HD11 . 30807 1
49 . 1 . 1 5 5 LEU HD12 H 1 0.763 0.000 . . . . . . A 5 LEU HD12 . 30807 1
50 . 1 . 1 5 5 LEU HD13 H 1 0.763 0.000 . . . . . . A 5 LEU HD13 . 30807 1
51 . 1 . 1 5 5 LEU C C 13 174.921 0.000 . . . . . . A 5 LEU C . 30807 1
52 . 1 . 1 5 5 LEU CA C 13 54.071 0.105 . . . . . . A 5 LEU CA . 30807 1
53 . 1 . 1 5 5 LEU CB C 13 45.072 0.017 . . . . . . A 5 LEU CB . 30807 1
54 . 1 . 1 5 5 LEU CG C 13 26.287 0.017 . . . . . . A 5 LEU CG . 30807 1
55 . 1 . 1 5 5 LEU CD1 C 13 23.827 0.012 . . . . . . A 5 LEU CD1 . 30807 1
56 . 1 . 1 5 5 LEU N N 15 124.120 0.016 . . . . . . A 5 LEU N . 30807 1
57 . 1 . 1 6 6 ILE H H 1 9.365 0.004 . . . . . . A 6 ILE H . 30807 1
58 . 1 . 1 6 6 ILE HA H 1 4.889 0.009 . . . . . . A 6 ILE HA . 30807 1
59 . 1 . 1 6 6 ILE HB H 1 0.529 0.101 . . . . . . A 6 ILE HB . 30807 1
60 . 1 . 1 6 6 ILE HG21 H 1 0.397 0.008 . . . . . . A 6 ILE HG21 . 30807 1
61 . 1 . 1 6 6 ILE HG22 H 1 0.397 0.008 . . . . . . A 6 ILE HG22 . 30807 1
62 . 1 . 1 6 6 ILE HG23 H 1 0.397 0.008 . . . . . . A 6 ILE HG23 . 30807 1
63 . 1 . 1 6 6 ILE HD11 H 1 0.478 0.000 . . . . . . A 6 ILE HD11 . 30807 1
64 . 1 . 1 6 6 ILE HD12 H 1 0.478 0.000 . . . . . . A 6 ILE HD12 . 30807 1
65 . 1 . 1 6 6 ILE HD13 H 1 0.478 0.000 . . . . . . A 6 ILE HD13 . 30807 1
66 . 1 . 1 6 6 ILE C C 13 174.696 0.000 . . . . . . A 6 ILE C . 30807 1
67 . 1 . 1 6 6 ILE CA C 13 57.366 0.000 . . . . . . A 6 ILE CA . 30807 1
68 . 1 . 1 6 6 ILE CB C 13 36.432 0.005 . . . . . . A 6 ILE CB . 30807 1
69 . 1 . 1 6 6 ILE CG1 C 13 27.299 0.000 . . . . . . A 6 ILE CG1 . 30807 1
70 . 1 . 1 6 6 ILE CG2 C 13 18.786 0.082 . . . . . . A 6 ILE CG2 . 30807 1
71 . 1 . 1 6 6 ILE CD1 C 13 12.437 0.098 . . . . . . A 6 ILE CD1 . 30807 1
72 . 1 . 1 6 6 ILE N N 15 128.792 0.012 . . . . . . A 6 ILE N . 30807 1
73 . 1 . 1 7 7 ASP H H 1 8.933 0.006 . . . . . . A 7 ASP H . 30807 1
74 . 1 . 1 7 7 ASP HA H 1 5.417 0.009 . . . . . . A 7 ASP HA . 30807 1
75 . 1 . 1 7 7 ASP HB2 H 1 3.214 0.010 . . . . . . A 7 ASP HB2 . 30807 1
76 . 1 . 1 7 7 ASP HB3 H 1 3.034 0.001 . . . . . . A 7 ASP HB3 . 30807 1
77 . 1 . 1 7 7 ASP CA C 13 49.204 0.016 . . . . . . A 7 ASP CA . 30807 1
78 . 1 . 1 7 7 ASP CB C 13 43.568 0.018 . . . . . . A 7 ASP CB . 30807 1
79 . 1 . 1 7 7 ASP N N 15 123.997 0.025 . . . . . . A 7 ASP N . 30807 1
80 . 1 . 1 8 8 PRO HA H 1 4.411 0.006 . . . . . . A 8 PRO HA . 30807 1
81 . 1 . 1 8 8 PRO HB2 H 1 2.330 0.001 . . . . . . A 8 PRO HB2 . 30807 1
82 . 1 . 1 8 8 PRO HB3 H 1 1.949 0.006 . . . . . . A 8 PRO HB3 . 30807 1
83 . 1 . 1 8 8 PRO HG2 H 1 2.338 0.001 . . . . . . A 8 PRO HG2 . 30807 1
84 . 1 . 1 8 8 PRO HG3 H 1 2.338 0.001 . . . . . . A 8 PRO HG3 . 30807 1
85 . 1 . 1 8 8 PRO C C 13 175.831 0.000 . . . . . . A 8 PRO C . 30807 1
86 . 1 . 1 8 8 PRO CA C 13 63.489 0.089 . . . . . . A 8 PRO CA . 30807 1
87 . 1 . 1 8 8 PRO CB C 13 33.273 0.042 . . . . . . A 8 PRO CB . 30807 1
88 . 1 . 1 8 8 PRO CG C 13 27.837 0.000 . . . . . . A 8 PRO CG . 30807 1
89 . 1 . 1 8 8 PRO CD C 13 51.928 0.000 . . . . . . A 8 PRO CD . 30807 1
90 . 1 . 1 9 9 ARG H H 1 8.871 0.004 . . . . . . A 9 ARG H . 30807 1
91 . 1 . 1 9 9 ARG HA H 1 3.832 0.005 . . . . . . A 9 ARG HA . 30807 1
92 . 1 . 1 9 9 ARG HB2 H 1 2.671 0.000 . . . . . . A 9 ARG HB2 . 30807 1
93 . 1 . 1 9 9 ARG HG2 H 1 1.732 0.000 . . . . . . A 9 ARG HG2 . 30807 1
94 . 1 . 1 9 9 ARG HD2 H 1 1.928 0.000 . . . . . . A 9 ARG HD2 . 30807 1
95 . 1 . 1 9 9 ARG C C 13 177.570 0.000 . . . . . . A 9 ARG C . 30807 1
96 . 1 . 1 9 9 ARG CA C 13 56.532 0.000 . . . . . . A 9 ARG CA . 30807 1
97 . 1 . 1 9 9 ARG CB C 13 28.005 0.015 . . . . . . A 9 ARG CB . 30807 1
98 . 1 . 1 9 9 ARG CG C 13 26.911 0.008 . . . . . . A 9 ARG CG . 30807 1
99 . 1 . 1 9 9 ARG N N 15 116.794 0.021 . . . . . . A 9 ARG N . 30807 1
100 . 1 . 1 10 10 LYS H H 1 8.928 0.004 . . . . . . A 10 LYS H . 30807 1
101 . 1 . 1 10 10 LYS HA H 1 3.862 0.008 . . . . . . A 10 LYS HA . 30807 1
102 . 1 . 1 10 10 LYS HB2 H 1 1.535 0.009 . . . . . . A 10 LYS HB2 . 30807 1
103 . 1 . 1 10 10 LYS HB3 H 1 1.255 0.004 . . . . . . A 10 LYS HB3 . 30807 1
104 . 1 . 1 10 10 LYS HG2 H 1 1.259 0.008 . . . . . . A 10 LYS HG2 . 30807 1
105 . 1 . 1 10 10 LYS HG3 H 1 1.044 0.003 . . . . . . A 10 LYS HG3 . 30807 1
106 . 1 . 1 10 10 LYS HD2 H 1 1.046 0.009 . . . . . . A 10 LYS HD2 . 30807 1
107 . 1 . 1 10 10 LYS HD3 H 1 1.046 0.009 . . . . . . A 10 LYS HD3 . 30807 1
108 . 1 . 1 10 10 LYS C C 13 178.399 0.000 . . . . . . A 10 LYS C . 30807 1
109 . 1 . 1 10 10 LYS CA C 13 59.328 0.110 . . . . . . A 10 LYS CA . 30807 1
110 . 1 . 1 10 10 LYS CB C 13 31.784 0.017 . . . . . . A 10 LYS CB . 30807 1
111 . 1 . 1 10 10 LYS CG C 13 25.662 0.018 . . . . . . A 10 LYS CG . 30807 1
112 . 1 . 1 10 10 LYS CD C 13 29.045 0.000 . . . . . . A 10 LYS CD . 30807 1
113 . 1 . 1 10 10 LYS CE C 13 41.914 0.000 . . . . . . A 10 LYS CE . 30807 1
114 . 1 . 1 10 10 LYS N N 15 122.792 0.019 . . . . . . A 10 LYS N . 30807 1
115 . 1 . 1 11 11 ASN H H 1 8.252 0.004 . . . . . . A 11 ASN H . 30807 1
116 . 1 . 1 11 11 ASN HA H 1 4.540 0.006 . . . . . . A 11 ASN HA . 30807 1
117 . 1 . 1 11 11 ASN HB2 H 1 2.678 0.006 . . . . . . A 11 ASN HB2 . 30807 1
118 . 1 . 1 11 11 ASN HB3 H 1 2.678 0.006 . . . . . . A 11 ASN HB3 . 30807 1
119 . 1 . 1 11 11 ASN C C 13 174.991 0.000 . . . . . . A 11 ASN C . 30807 1
120 . 1 . 1 11 11 ASN CA C 13 56.653 0.099 . . . . . . A 11 ASN CA . 30807 1
121 . 1 . 1 11 11 ASN CB C 13 39.623 0.017 . . . . . . A 11 ASN CB . 30807 1
122 . 1 . 1 11 11 ASN N N 15 114.321 0.035 . . . . . . A 11 ASN N . 30807 1
123 . 1 . 1 12 12 ASN H H 1 8.019 0.004 . . . . . . A 12 ASN H . 30807 1
124 . 1 . 1 12 12 ASN HA H 1 4.936 0.002 . . . . . . A 12 ASN HA . 30807 1
125 . 1 . 1 12 12 ASN HB2 H 1 3.059 0.004 . . . . . . A 12 ASN HB2 . 30807 1
126 . 1 . 1 12 12 ASN HB3 H 1 2.773 0.004 . . . . . . A 12 ASN HB3 . 30807 1
127 . 1 . 1 12 12 ASN C C 13 174.976 0.000 . . . . . . A 12 ASN C . 30807 1
128 . 1 . 1 12 12 ASN CA C 13 52.423 0.097 . . . . . . A 12 ASN CA . 30807 1
129 . 1 . 1 12 12 ASN CB C 13 38.073 0.031 . . . . . . A 12 ASN CB . 30807 1
130 . 1 . 1 12 12 ASN N N 15 116.510 0.016 . . . . . . A 12 ASN N . 30807 1
131 . 1 . 1 13 13 ASP H H 1 8.077 0.005 . . . . . . A 13 ASP H . 30807 1
132 . 1 . 1 13 13 ASP HA H 1 4.269 0.004 . . . . . . A 13 ASP HA . 30807 1
133 . 1 . 1 13 13 ASP HB2 H 1 2.917 0.006 . . . . . . A 13 ASP HB2 . 30807 1
134 . 1 . 1 13 13 ASP HB3 H 1 2.581 0.005 . . . . . . A 13 ASP HB3 . 30807 1
135 . 1 . 1 13 13 ASP C C 13 175.212 0.000 . . . . . . A 13 ASP C . 30807 1
136 . 1 . 1 13 13 ASP CA C 13 55.693 0.097 . . . . . . A 13 ASP CA . 30807 1
137 . 1 . 1 13 13 ASP CB C 13 39.704 0.018 . . . . . . A 13 ASP CB . 30807 1
138 . 1 . 1 13 13 ASP N N 15 117.073 0.020 . . . . . . A 13 ASP N . 30807 1
139 . 1 . 1 14 14 ASN H H 1 8.439 0.003 . . . . . . A 14 ASN H . 30807 1
140 . 1 . 1 14 14 ASN HA H 1 4.517 0.006 . . . . . . A 14 ASN HA . 30807 1
141 . 1 . 1 14 14 ASN HB2 H 1 2.886 0.003 . . . . . . A 14 ASN HB2 . 30807 1
142 . 1 . 1 14 14 ASN HB3 H 1 2.688 0.005 . . . . . . A 14 ASN HB3 . 30807 1
143 . 1 . 1 14 14 ASN C C 13 175.767 0.000 . . . . . . A 14 ASN C . 30807 1
144 . 1 . 1 14 14 ASN CA C 13 54.329 0.095 . . . . . . A 14 ASN CA . 30807 1
145 . 1 . 1 14 14 ASN CB C 13 37.704 0.020 . . . . . . A 14 ASN CB . 30807 1
146 . 1 . 1 14 14 ASN N N 15 113.902 0.023 . . . . . . A 14 ASN N . 30807 1
147 . 1 . 1 15 15 SER H H 1 7.692 0.004 . . . . . . A 15 SER H . 30807 1
148 . 1 . 1 15 15 SER HA H 1 4.245 0.012 . . . . . . A 15 SER HA . 30807 1
149 . 1 . 1 15 15 SER HB2 H 1 4.015 0.007 . . . . . . A 15 SER HB2 . 30807 1
150 . 1 . 1 15 15 SER HB3 H 1 4.015 0.007 . . . . . . A 15 SER HB3 . 30807 1
151 . 1 . 1 15 15 SER C C 13 176.125 0.000 . . . . . . A 15 SER C . 30807 1
152 . 1 . 1 15 15 SER CA C 13 59.762 0.099 . . . . . . A 15 SER CA . 30807 1
153 . 1 . 1 15 15 SER CB C 13 64.087 0.114 . . . . . . A 15 SER CB . 30807 1
154 . 1 . 1 15 15 SER N N 15 114.314 0.031 . . . . . . A 15 SER N . 30807 1
155 . 1 . 1 16 16 GLY H H 1 9.048 0.003 . . . . . . A 16 GLY H . 30807 1
156 . 1 . 1 16 16 GLY HA2 H 1 4.071 0.001 . . . . . . A 16 GLY HA2 . 30807 1
157 . 1 . 1 16 16 GLY HA3 H 1 3.800 0.018 . . . . . . A 16 GLY HA3 . 30807 1
158 . 1 . 1 16 16 GLY C C 13 174.017 0.000 . . . . . . A 16 GLY C . 30807 1
159 . 1 . 1 16 16 GLY CA C 13 45.201 0.001 . . . . . . A 16 GLY CA . 30807 1
160 . 1 . 1 16 16 GLY N N 15 111.409 0.013 . . . . . . A 16 GLY N . 30807 1
161 . 1 . 1 17 17 GLU H H 1 7.851 0.003 . . . . . . A 17 GLU H . 30807 1
162 . 1 . 1 17 17 GLU HA H 1 4.355 0.003 . . . . . . A 17 GLU HA . 30807 1
163 . 1 . 1 17 17 GLU HB2 H 1 2.055 0.007 . . . . . . A 17 GLU HB2 . 30807 1
164 . 1 . 1 17 17 GLU HB3 H 1 1.885 0.004 . . . . . . A 17 GLU HB3 . 30807 1
165 . 1 . 1 17 17 GLU HG2 H 1 2.304 0.006 . . . . . . A 17 GLU HG2 . 30807 1
166 . 1 . 1 17 17 GLU HG3 H 1 2.213 0.006 . . . . . . A 17 GLU HG3 . 30807 1
167 . 1 . 1 17 17 GLU C C 13 175.789 0.000 . . . . . . A 17 GLU C . 30807 1
168 . 1 . 1 17 17 GLU CA C 13 56.872 0.078 . . . . . . A 17 GLU CA . 30807 1
169 . 1 . 1 17 17 GLU CB C 13 29.991 0.001 . . . . . . A 17 GLU CB . 30807 1
170 . 1 . 1 17 17 GLU CG C 13 36.300 0.013 . . . . . . A 17 GLU CG . 30807 1
171 . 1 . 1 17 17 GLU N N 15 121.249 0.015 . . . . . . A 17 GLU N . 30807 1
172 . 1 . 1 18 18 ARG H H 1 8.286 0.002 . . . . . . A 18 ARG H . 30807 1
173 . 1 . 1 18 18 ARG HA H 1 4.966 0.008 . . . . . . A 18 ARG HA . 30807 1
174 . 1 . 1 18 18 ARG HB2 H 1 1.848 0.006 . . . . . . A 18 ARG HB2 . 30807 1
175 . 1 . 1 18 18 ARG HB3 H 1 1.848 0.006 . . . . . . A 18 ARG HB3 . 30807 1
176 . 1 . 1 18 18 ARG HG2 H 1 1.757 0.016 . . . . . . A 18 ARG HG2 . 30807 1
177 . 1 . 1 18 18 ARG HG3 H 1 1.603 0.007 . . . . . . A 18 ARG HG3 . 30807 1
178 . 1 . 1 18 18 ARG HD2 H 1 3.193 0.001 . . . . . . A 18 ARG HD2 . 30807 1
179 . 1 . 1 18 18 ARG HD3 H 1 3.035 0.001 . . . . . . A 18 ARG HD3 . 30807 1
180 . 1 . 1 18 18 ARG C C 13 175.648 0.000 . . . . . . A 18 ARG C . 30807 1
181 . 1 . 1 18 18 ARG CA C 13 55.643 0.100 . . . . . . A 18 ARG CA . 30807 1
182 . 1 . 1 18 18 ARG CB C 13 33.622 0.013 . . . . . . A 18 ARG CB . 30807 1
183 . 1 . 1 18 18 ARG CG C 13 27.993 0.015 . . . . . . A 18 ARG CG . 30807 1
184 . 1 . 1 18 18 ARG CD C 13 43.807 0.014 . . . . . . A 18 ARG CD . 30807 1
185 . 1 . 1 18 18 ARG N N 15 122.919 0.013 . . . . . . A 18 ARG N . 30807 1
186 . 1 . 1 19 19 PHE H H 1 8.159 0.003 . . . . . . A 19 PHE H . 30807 1
187 . 1 . 1 19 19 PHE HA H 1 5.200 0.006 . . . . . . A 19 PHE HA . 30807 1
188 . 1 . 1 19 19 PHE HB2 H 1 3.305 0.004 . . . . . . A 19 PHE HB2 . 30807 1
189 . 1 . 1 19 19 PHE HB3 H 1 3.126 0.004 . . . . . . A 19 PHE HB3 . 30807 1
190 . 1 . 1 19 19 PHE HD1 H 1 7.123 0.000 . . . . . . A 19 PHE HD1 . 30807 1
191 . 1 . 1 19 19 PHE HD2 H 1 7.123 0.000 . . . . . . A 19 PHE HD2 . 30807 1
192 . 1 . 1 19 19 PHE HE1 H 1 6.896 0.001 . . . . . . A 19 PHE HE1 . 30807 1
193 . 1 . 1 19 19 PHE HE2 H 1 6.896 0.001 . . . . . . A 19 PHE HE2 . 30807 1
194 . 1 . 1 19 19 PHE C C 13 172.837 0.000 . . . . . . A 19 PHE C . 30807 1
195 . 1 . 1 19 19 PHE CA C 13 55.919 0.117 . . . . . . A 19 PHE CA . 30807 1
196 . 1 . 1 19 19 PHE CB C 13 40.923 0.015 . . . . . . A 19 PHE CB . 30807 1
197 . 1 . 1 19 19 PHE N N 15 115.849 0.017 . . . . . . A 19 PHE N . 30807 1
198 . 1 . 1 20 20 THR H H 1 8.494 0.003 . . . . . . A 20 THR H . 30807 1
199 . 1 . 1 20 20 THR HA H 1 5.846 0.013 . . . . . . A 20 THR HA . 30807 1
200 . 1 . 1 20 20 THR HB H 1 4.121 0.006 . . . . . . A 20 THR HB . 30807 1
201 . 1 . 1 20 20 THR HG21 H 1 1.030 0.008 . . . . . . A 20 THR HG21 . 30807 1
202 . 1 . 1 20 20 THR HG22 H 1 1.030 0.008 . . . . . . A 20 THR HG22 . 30807 1
203 . 1 . 1 20 20 THR HG23 H 1 1.030 0.008 . . . . . . A 20 THR HG23 . 30807 1
204 . 1 . 1 20 20 THR C C 13 174.950 0.000 . . . . . . A 20 THR C . 30807 1
205 . 1 . 1 20 20 THR CA C 13 59.317 0.093 . . . . . . A 20 THR CA . 30807 1
206 . 1 . 1 20 20 THR CB C 13 71.826 0.104 . . . . . . A 20 THR CB . 30807 1
207 . 1 . 1 20 20 THR CG2 C 13 21.657 0.014 . . . . . . A 20 THR CG2 . 30807 1
208 . 1 . 1 20 20 THR N N 15 109.208 0.031 . . . . . . A 20 THR N . 30807 1
209 . 1 . 1 21 21 VAL H H 1 8.789 0.004 . . . . . . A 21 VAL H . 30807 1
210 . 1 . 1 21 21 VAL HA H 1 4.597 0.007 . . . . . . A 21 VAL HA . 30807 1
211 . 1 . 1 21 21 VAL HB H 1 2.061 0.004 . . . . . . A 21 VAL HB . 30807 1
212 . 1 . 1 21 21 VAL HG11 H 1 1.006 0.011 . . . . . . A 21 VAL HG11 . 30807 1
213 . 1 . 1 21 21 VAL HG12 H 1 1.006 0.011 . . . . . . A 21 VAL HG12 . 30807 1
214 . 1 . 1 21 21 VAL HG13 H 1 1.006 0.011 . . . . . . A 21 VAL HG13 . 30807 1
215 . 1 . 1 21 21 VAL HG21 H 1 0.927 0.004 . . . . . . A 21 VAL HG21 . 30807 1
216 . 1 . 1 21 21 VAL HG22 H 1 0.927 0.004 . . . . . . A 21 VAL HG22 . 30807 1
217 . 1 . 1 21 21 VAL HG23 H 1 0.927 0.004 . . . . . . A 21 VAL HG23 . 30807 1
218 . 1 . 1 21 21 VAL C C 13 173.695 0.000 . . . . . . A 21 VAL C . 30807 1
219 . 1 . 1 21 21 VAL CA C 13 60.255 0.091 . . . . . . A 21 VAL CA . 30807 1
220 . 1 . 1 21 21 VAL CB C 13 36.425 0.018 . . . . . . A 21 VAL CB . 30807 1
221 . 1 . 1 21 21 VAL CG1 C 13 21.956 0.034 . . . . . . A 21 VAL CG1 . 30807 1
222 . 1 . 1 21 21 VAL CG2 C 13 20.872 0.003 . . . . . . A 21 VAL CG2 . 30807 1
223 . 1 . 1 21 21 VAL N N 15 115.409 0.027 . . . . . . A 21 VAL N . 30807 1
224 . 1 . 1 22 22 ASP H H 1 8.611 0.003 . . . . . . A 22 ASP H . 30807 1
225 . 1 . 1 22 22 ASP HA H 1 5.998 0.009 . . . . . . A 22 ASP HA . 30807 1
226 . 1 . 1 22 22 ASP HB2 H 1 2.519 0.006 . . . . . . A 22 ASP HB2 . 30807 1
227 . 1 . 1 22 22 ASP HB3 H 1 2.519 0.006 . . . . . . A 22 ASP HB3 . 30807 1
228 . 1 . 1 22 22 ASP C C 13 176.123 0.000 . . . . . . A 22 ASP C . 30807 1
229 . 1 . 1 22 22 ASP CA C 13 52.650 0.101 . . . . . . A 22 ASP CA . 30807 1
230 . 1 . 1 22 22 ASP CB C 13 41.379 0.000 . . . . . . A 22 ASP CB . 30807 1
231 . 1 . 1 22 22 ASP N N 15 125.378 0.017 . . . . . . A 22 ASP N . 30807 1
232 . 1 . 1 23 23 ALA H H 1 9.333 0.004 . . . . . . A 23 ALA H . 30807 1
233 . 1 . 1 23 23 ALA HA H 1 4.746 0.010 . . . . . . A 23 ALA HA . 30807 1
234 . 1 . 1 23 23 ALA HB1 H 1 1.373 0.008 . . . . . . A 23 ALA HB1 . 30807 1
235 . 1 . 1 23 23 ALA HB2 H 1 1.373 0.008 . . . . . . A 23 ALA HB2 . 30807 1
236 . 1 . 1 23 23 ALA HB3 H 1 1.373 0.008 . . . . . . A 23 ALA HB3 . 30807 1
237 . 1 . 1 23 23 ALA C C 13 177.529 0.000 . . . . . . A 23 ALA C . 30807 1
238 . 1 . 1 23 23 ALA CA C 13 51.748 0.000 . . . . . . A 23 ALA CA . 30807 1
239 . 1 . 1 23 23 ALA CB C 13 23.212 0.013 . . . . . . A 23 ALA CB . 30807 1
240 . 1 . 1 23 23 ALA N N 15 123.980 0.019 . . . . . . A 23 ALA N . 30807 1
241 . 1 . 1 24 24 VAL H H 1 8.702 0.003 . . . . . . A 24 VAL H . 30807 1
242 . 1 . 1 24 24 VAL HA H 1 4.033 0.005 . . . . . . A 24 VAL HA . 30807 1
243 . 1 . 1 24 24 VAL HB H 1 2.156 0.004 . . . . . . A 24 VAL HB . 30807 1
244 . 1 . 1 24 24 VAL HG21 H 1 1.020 0.005 . . . . . . A 24 VAL HG21 . 30807 1
245 . 1 . 1 24 24 VAL HG22 H 1 1.020 0.005 . . . . . . A 24 VAL HG22 . 30807 1
246 . 1 . 1 24 24 VAL HG23 H 1 1.020 0.005 . . . . . . A 24 VAL HG23 . 30807 1
247 . 1 . 1 24 24 VAL C C 13 175.173 0.000 . . . . . . A 24 VAL C . 30807 1
248 . 1 . 1 24 24 VAL CA C 13 64.672 0.088 . . . . . . A 24 VAL CA . 30807 1
249 . 1 . 1 24 24 VAL CB C 13 32.294 0.003 . . . . . . A 24 VAL CB . 30807 1
250 . 1 . 1 24 24 VAL CG1 C 13 21.518 0.000 . . . . . . A 24 VAL CG1 . 30807 1
251 . 1 . 1 24 24 VAL CG2 C 13 20.199 0.008 . . . . . . A 24 VAL CG2 . 30807 1
252 . 1 . 1 24 24 VAL N N 15 115.433 0.011 . . . . . . A 24 VAL N . 30807 1
253 . 1 . 1 25 25 ASP H H 1 7.351 0.004 . . . . . . A 25 ASP H . 30807 1
254 . 1 . 1 25 25 ASP HA H 1 4.760 0.005 . . . . . . A 25 ASP HA . 30807 1
255 . 1 . 1 25 25 ASP HB2 H 1 3.086 0.004 . . . . . . A 25 ASP HB2 . 30807 1
256 . 1 . 1 25 25 ASP HB3 H 1 2.895 0.005 . . . . . . A 25 ASP HB3 . 30807 1
257 . 1 . 1 25 25 ASP C C 13 175.817 0.000 . . . . . . A 25 ASP C . 30807 1
258 . 1 . 1 25 25 ASP CA C 13 52.821 0.000 . . . . . . A 25 ASP CA . 30807 1
259 . 1 . 1 25 25 ASP CB C 13 42.401 0.014 . . . . . . A 25 ASP CB . 30807 1
260 . 1 . 1 25 25 ASP N N 15 114.879 0.015 . . . . . . A 25 ASP N . 30807 1
261 . 1 . 1 26 26 ILE H H 1 8.446 0.003 . . . . . . A 26 ILE H . 30807 1
262 . 1 . 1 26 26 ILE HA H 1 3.065 0.005 . . . . . . A 26 ILE HA . 30807 1
263 . 1 . 1 26 26 ILE HB H 1 1.742 0.003 . . . . . . A 26 ILE HB . 30807 1
264 . 1 . 1 26 26 ILE HG12 H 1 1.012 0.001 . . . . . . A 26 ILE HG12 . 30807 1
265 . 1 . 1 26 26 ILE HG13 H 1 1.091 0.002 . . . . . . A 26 ILE HG13 . 30807 1
266 . 1 . 1 26 26 ILE HG21 H 1 0.949 0.002 . . . . . . A 26 ILE HG21 . 30807 1
267 . 1 . 1 26 26 ILE HG22 H 1 0.949 0.002 . . . . . . A 26 ILE HG22 . 30807 1
268 . 1 . 1 26 26 ILE HG23 H 1 0.949 0.002 . . . . . . A 26 ILE HG23 . 30807 1
269 . 1 . 1 26 26 ILE HD11 H 1 0.830 0.000 . . . . . . A 26 ILE HD11 . 30807 1
270 . 1 . 1 26 26 ILE HD12 H 1 0.830 0.000 . . . . . . A 26 ILE HD12 . 30807 1
271 . 1 . 1 26 26 ILE HD13 H 1 0.830 0.000 . . . . . . A 26 ILE HD13 . 30807 1
272 . 1 . 1 26 26 ILE C C 13 175.401 0.000 . . . . . . A 26 ILE C . 30807 1
273 . 1 . 1 26 26 ILE CA C 13 64.431 0.102 . . . . . . A 26 ILE CA . 30807 1
274 . 1 . 1 26 26 ILE CB C 13 38.430 0.008 . . . . . . A 26 ILE CB . 30807 1
275 . 1 . 1 26 26 ILE CG1 C 13 30.497 0.017 . . . . . . A 26 ILE CG1 . 30807 1
276 . 1 . 1 26 26 ILE CG2 C 13 16.465 0.093 . . . . . . A 26 ILE CG2 . 30807 1
277 . 1 . 1 26 26 ILE CD1 C 13 13.899 0.100 . . . . . . A 26 ILE CD1 . 30807 1
278 . 1 . 1 26 26 ILE N N 15 118.658 0.014 . . . . . . A 26 ILE N . 30807 1
279 . 1 . 1 27 27 THR H H 1 7.626 0.006 . . . . . . A 27 THR H . 30807 1
280 . 1 . 1 27 27 THR HA H 1 3.634 0.006 . . . . . . A 27 THR HA . 30807 1
281 . 1 . 1 27 27 THR HB H 1 4.157 0.005 . . . . . . A 27 THR HB . 30807 1
282 . 1 . 1 27 27 THR HG21 H 1 1.270 0.003 . . . . . . A 27 THR HG21 . 30807 1
283 . 1 . 1 27 27 THR HG22 H 1 1.270 0.003 . . . . . . A 27 THR HG22 . 30807 1
284 . 1 . 1 27 27 THR HG23 H 1 1.270 0.003 . . . . . . A 27 THR HG23 . 30807 1
285 . 1 . 1 27 27 THR C C 13 176.653 0.145 . . . . . . A 27 THR C . 30807 1
286 . 1 . 1 27 27 THR CA C 13 66.564 0.096 . . . . . . A 27 THR CA . 30807 1
287 . 1 . 1 27 27 THR CB C 13 67.636 0.096 . . . . . . A 27 THR CB . 30807 1
288 . 1 . 1 27 27 THR CG2 C 13 22.117 0.009 . . . . . . A 27 THR CG2 . 30807 1
289 . 1 . 1 27 27 THR N N 15 119.418 0.019 . . . . . . A 27 THR N . 30807 1
290 . 1 . 1 28 28 ALA H H 1 8.374 0.004 . . . . . . A 28 ALA H . 30807 1
291 . 1 . 1 28 28 ALA HA H 1 4.057 0.006 . . . . . . A 28 ALA HA . 30807 1
292 . 1 . 1 28 28 ALA HB1 H 1 1.488 0.004 . . . . . . A 28 ALA HB1 . 30807 1
293 . 1 . 1 28 28 ALA HB2 H 1 1.488 0.004 . . . . . . A 28 ALA HB2 . 30807 1
294 . 1 . 1 28 28 ALA HB3 H 1 1.488 0.004 . . . . . . A 28 ALA HB3 . 30807 1
295 . 1 . 1 28 28 ALA C C 13 180.838 0.000 . . . . . . A 28 ALA C . 30807 1
296 . 1 . 1 28 28 ALA CA C 13 54.888 0.139 . . . . . . A 28 ALA CA . 30807 1
297 . 1 . 1 28 28 ALA CB C 13 18.523 0.103 . . . . . . A 28 ALA CB . 30807 1
298 . 1 . 1 28 28 ALA N N 15 125.473 0.751 . . . . . . A 28 ALA N . 30807 1
299 . 1 . 1 29 29 ALA H H 1 7.831 0.004 . . . . . . A 29 ALA H . 30807 1
300 . 1 . 1 29 29 ALA HA H 1 3.504 0.011 . . . . . . A 29 ALA HA . 30807 1
301 . 1 . 1 29 29 ALA HB1 H 1 0.497 0.007 . . . . . . A 29 ALA HB1 . 30807 1
302 . 1 . 1 29 29 ALA HB2 H 1 0.497 0.007 . . . . . . A 29 ALA HB2 . 30807 1
303 . 1 . 1 29 29 ALA HB3 H 1 0.497 0.007 . . . . . . A 29 ALA HB3 . 30807 1
304 . 1 . 1 29 29 ALA C C 13 178.552 0.000 . . . . . . A 29 ALA C . 30807 1
305 . 1 . 1 29 29 ALA CA C 13 54.764 0.100 . . . . . . A 29 ALA CA . 30807 1
306 . 1 . 1 29 29 ALA CB C 13 18.151 0.103 . . . . . . A 29 ALA CB . 30807 1
307 . 1 . 1 29 29 ALA N N 15 121.752 0.022 . . . . . . A 29 ALA N . 30807 1
308 . 1 . 1 30 30 ALA H H 1 7.947 0.004 . . . . . . A 30 ALA H . 30807 1
309 . 1 . 1 30 30 ALA HA H 1 3.605 0.006 . . . . . . A 30 ALA HA . 30807 1
310 . 1 . 1 30 30 ALA HB1 H 1 0.465 0.012 . . . . . . A 30 ALA HB1 . 30807 1
311 . 1 . 1 30 30 ALA HB2 H 1 0.465 0.012 . . . . . . A 30 ALA HB2 . 30807 1
312 . 1 . 1 30 30 ALA HB3 H 1 0.465 0.012 . . . . . . A 30 ALA HB3 . 30807 1
313 . 1 . 1 30 30 ALA C C 13 179.009 0.000 . . . . . . A 30 ALA C . 30807 1
314 . 1 . 1 30 30 ALA CA C 13 55.153 0.098 . . . . . . A 30 ALA CA . 30807 1
315 . 1 . 1 30 30 ALA CB C 13 17.035 0.000 . . . . . . A 30 ALA CB . 30807 1
316 . 1 . 1 30 30 ALA N N 15 119.562 0.020 . . . . . . A 30 ALA N . 30807 1
317 . 1 . 1 31 31 LYS H H 1 7.584 0.004 . . . . . . A 31 LYS H . 30807 1
318 . 1 . 1 31 31 LYS HA H 1 3.933 0.004 . . . . . . A 31 LYS HA . 30807 1
319 . 1 . 1 31 31 LYS HB2 H 1 2.000 0.008 . . . . . . A 31 LYS HB2 . 30807 1
320 . 1 . 1 31 31 LYS HB3 H 1 1.917 0.005 . . . . . . A 31 LYS HB3 . 30807 1
321 . 1 . 1 31 31 LYS HG2 H 1 1.591 0.005 . . . . . . A 31 LYS HG2 . 30807 1
322 . 1 . 1 31 31 LYS HG3 H 1 1.475 0.007 . . . . . . A 31 LYS HG3 . 30807 1
323 . 1 . 1 31 31 LYS C C 13 178.555 0.000 . . . . . . A 31 LYS C . 30807 1
324 . 1 . 1 31 31 LYS CA C 13 60.292 0.098 . . . . . . A 31 LYS CA . 30807 1
325 . 1 . 1 31 31 LYS CB C 13 32.228 0.005 . . . . . . A 31 LYS CB . 30807 1
326 . 1 . 1 31 31 LYS CG C 13 25.708 0.011 . . . . . . A 31 LYS CG . 30807 1
327 . 1 . 1 31 31 LYS CD C 13 29.444 0.000 . . . . . . A 31 LYS CD . 30807 1
328 . 1 . 1 31 31 LYS CE C 13 42.275 0.000 . . . . . . A 31 LYS CE . 30807 1
329 . 1 . 1 31 31 LYS N N 15 117.892 0.014 . . . . . . A 31 LYS N . 30807 1
330 . 1 . 1 32 32 SER H H 1 7.896 0.005 . . . . . . A 32 SER H . 30807 1
331 . 1 . 1 32 32 SER HA H 1 4.285 0.001 . . . . . . A 32 SER HA . 30807 1
332 . 1 . 1 32 32 SER HB2 H 1 3.944 0.003 . . . . . . A 32 SER HB2 . 30807 1
333 . 1 . 1 32 32 SER HB3 H 1 3.944 0.003 . . . . . . A 32 SER HB3 . 30807 1
334 . 1 . 1 32 32 SER C C 13 177.567 0.000 . . . . . . A 32 SER C . 30807 1
335 . 1 . 1 32 32 SER CA C 13 61.749 0.122 . . . . . . A 32 SER CA . 30807 1
336 . 1 . 1 32 32 SER CB C 13 63.241 0.120 . . . . . . A 32 SER CB . 30807 1
337 . 1 . 1 32 32 SER N N 15 115.197 0.015 . . . . . . A 32 SER N . 30807 1
338 . 1 . 1 33 33 ALA H H 1 8.961 0.003 . . . . . . A 33 ALA H . 30807 1
339 . 1 . 1 33 33 ALA HA H 1 3.906 0.006 . . . . . . A 33 ALA HA . 30807 1
340 . 1 . 1 33 33 ALA HB1 H 1 1.229 0.006 . . . . . . A 33 ALA HB1 . 30807 1
341 . 1 . 1 33 33 ALA HB2 H 1 1.229 0.006 . . . . . . A 33 ALA HB2 . 30807 1
342 . 1 . 1 33 33 ALA HB3 H 1 1.229 0.006 . . . . . . A 33 ALA HB3 . 30807 1
343 . 1 . 1 33 33 ALA C C 13 178.617 0.000 . . . . . . A 33 ALA C . 30807 1
344 . 1 . 1 33 33 ALA CA C 13 55.258 0.114 . . . . . . A 33 ALA CA . 30807 1
345 . 1 . 1 33 33 ALA CB C 13 19.522 0.099 . . . . . . A 33 ALA CB . 30807 1
346 . 1 . 1 33 33 ALA N N 15 123.503 0.023 . . . . . . A 33 ALA N . 30807 1
347 . 1 . 1 34 34 ALA H H 1 8.066 0.006 . . . . . . A 34 ALA H . 30807 1
348 . 1 . 1 34 34 ALA HA H 1 3.223 0.006 . . . . . . A 34 ALA HA . 30807 1
349 . 1 . 1 34 34 ALA HB1 H 1 1.186 0.013 . . . . . . A 34 ALA HB1 . 30807 1
350 . 1 . 1 34 34 ALA HB2 H 1 1.186 0.013 . . . . . . A 34 ALA HB2 . 30807 1
351 . 1 . 1 34 34 ALA HB3 H 1 1.186 0.013 . . . . . . A 34 ALA HB3 . 30807 1
352 . 1 . 1 34 34 ALA C C 13 178.608 0.000 . . . . . . A 34 ALA C . 30807 1
353 . 1 . 1 34 34 ALA CA C 13 55.297 0.093 . . . . . . A 34 ALA CA . 30807 1
354 . 1 . 1 34 34 ALA CB C 13 18.145 0.095 . . . . . . A 34 ALA CB . 30807 1
355 . 1 . 1 34 34 ALA N N 15 119.345 0.016 . . . . . . A 34 ALA N . 30807 1
356 . 1 . 1 35 35 GLN H H 1 7.410 0.004 . . . . . . A 35 GLN H . 30807 1
357 . 1 . 1 35 35 GLN HA H 1 3.913 0.010 . . . . . . A 35 GLN HA . 30807 1
358 . 1 . 1 35 35 GLN HB2 H 1 2.252 0.009 . . . . . . A 35 GLN HB2 . 30807 1
359 . 1 . 1 35 35 GLN HB3 H 1 2.123 0.005 . . . . . . A 35 GLN HB3 . 30807 1
360 . 1 . 1 35 35 GLN HG2 H 1 2.498 0.008 . . . . . . A 35 GLN HG2 . 30807 1
361 . 1 . 1 35 35 GLN HG3 H 1 2.545 0.005 . . . . . . A 35 GLN HG3 . 30807 1
362 . 1 . 1 35 35 GLN C C 13 178.526 0.000 . . . . . . A 35 GLN C . 30807 1
363 . 1 . 1 35 35 GLN CA C 13 58.769 0.101 . . . . . . A 35 GLN CA . 30807 1
364 . 1 . 1 35 35 GLN CB C 13 28.785 0.015 . . . . . . A 35 GLN CB . 30807 1
365 . 1 . 1 35 35 GLN CG C 13 34.461 0.015 . . . . . . A 35 GLN CG . 30807 1
366 . 1 . 1 35 35 GLN N N 15 115.474 0.014 . . . . . . A 35 GLN N . 30807 1
367 . 1 . 1 36 36 GLN H H 1 7.541 0.004 . . . . . . A 36 GLN H . 30807 1
368 . 1 . 1 36 36 GLN HA H 1 3.897 0.006 . . . . . . A 36 GLN HA . 30807 1
369 . 1 . 1 36 36 GLN HB2 H 1 1.935 0.008 . . . . . . A 36 GLN HB2 . 30807 1
370 . 1 . 1 36 36 GLN HB3 H 1 1.766 0.004 . . . . . . A 36 GLN HB3 . 30807 1
371 . 1 . 1 36 36 GLN HG2 H 1 2.102 0.006 . . . . . . A 36 GLN HG2 . 30807 1
372 . 1 . 1 36 36 GLN HG3 H 1 1.856 0.005 . . . . . . A 36 GLN HG3 . 30807 1
373 . 1 . 1 36 36 GLN C C 13 177.964 0.000 . . . . . . A 36 GLN C . 30807 1
374 . 1 . 1 36 36 GLN CA C 13 58.665 0.106 . . . . . . A 36 GLN CA . 30807 1
375 . 1 . 1 36 36 GLN CB C 13 28.341 0.015 . . . . . . A 36 GLN CB . 30807 1
376 . 1 . 1 36 36 GLN CG C 13 33.575 0.035 . . . . . . A 36 GLN CG . 30807 1
377 . 1 . 1 36 36 GLN N N 15 118.487 0.015 . . . . . . A 36 GLN N . 30807 1
378 . 1 . 1 37 37 ILE H H 1 8.230 0.003 . . . . . . A 37 ILE H . 30807 1
379 . 1 . 1 37 37 ILE HA H 1 3.580 0.006 . . . . . . A 37 ILE HA . 30807 1
380 . 1 . 1 37 37 ILE HB H 1 1.272 0.008 . . . . . . A 37 ILE HB . 30807 1
381 . 1 . 1 37 37 ILE HG12 H 1 1.852 0.001 . . . . . . A 37 ILE HG12 . 30807 1
382 . 1 . 1 37 37 ILE HG13 H 1 0.940 0.001 . . . . . . A 37 ILE HG13 . 30807 1
383 . 1 . 1 37 37 ILE HG21 H 1 0.748 0.006 . . . . . . A 37 ILE HG21 . 30807 1
384 . 1 . 1 37 37 ILE HG22 H 1 0.748 0.006 . . . . . . A 37 ILE HG22 . 30807 1
385 . 1 . 1 37 37 ILE HG23 H 1 0.748 0.006 . . . . . . A 37 ILE HG23 . 30807 1
386 . 1 . 1 37 37 ILE HD11 H 1 0.085 0.002 . . . . . . A 37 ILE HD11 . 30807 1
387 . 1 . 1 37 37 ILE HD12 H 1 0.085 0.002 . . . . . . A 37 ILE HD12 . 30807 1
388 . 1 . 1 37 37 ILE HD13 H 1 0.085 0.002 . . . . . . A 37 ILE HD13 . 30807 1
389 . 1 . 1 37 37 ILE C C 13 177.333 0.000 . . . . . . A 37 ILE C . 30807 1
390 . 1 . 1 37 37 ILE CA C 13 64.747 0.076 . . . . . . A 37 ILE CA . 30807 1
391 . 1 . 1 37 37 ILE CB C 13 39.658 0.018 . . . . . . A 37 ILE CB . 30807 1
392 . 1 . 1 37 37 ILE CG1 C 13 29.053 0.015 . . . . . . A 37 ILE CG1 . 30807 1
393 . 1 . 1 37 37 ILE CG2 C 13 16.689 0.086 . . . . . . A 37 ILE CG2 . 30807 1
394 . 1 . 1 37 37 ILE CD1 C 13 12.996 0.069 . . . . . . A 37 ILE CD1 . 30807 1
395 . 1 . 1 37 37 ILE N N 15 118.544 0.035 . . . . . . A 37 ILE N . 30807 1
396 . 1 . 1 38 38 LEU H H 1 8.390 0.004 . . . . . . A 38 LEU H . 30807 1
397 . 1 . 1 38 38 LEU HA H 1 4.277 0.008 . . . . . . A 38 LEU HA . 30807 1
398 . 1 . 1 38 38 LEU HB2 H 1 1.540 0.007 . . . . . . A 38 LEU HB2 . 30807 1
399 . 1 . 1 38 38 LEU HB3 H 1 1.264 0.004 . . . . . . A 38 LEU HB3 . 30807 1
400 . 1 . 1 38 38 LEU HG H 1 1.342 0.019 . . . . . . A 38 LEU HG . 30807 1
401 . 1 . 1 38 38 LEU HD11 H 1 0.164 0.003 . . . . . . A 38 LEU HD11 . 30807 1
402 . 1 . 1 38 38 LEU HD12 H 1 0.164 0.003 . . . . . . A 38 LEU HD12 . 30807 1
403 . 1 . 1 38 38 LEU HD13 H 1 0.164 0.003 . . . . . . A 38 LEU HD13 . 30807 1
404 . 1 . 1 38 38 LEU C C 13 178.353 0.000 . . . . . . A 38 LEU C . 30807 1
405 . 1 . 1 38 38 LEU CA C 13 55.283 0.094 . . . . . . A 38 LEU CA . 30807 1
406 . 1 . 1 38 38 LEU CB C 13 42.316 0.025 . . . . . . A 38 LEU CB . 30807 1
407 . 1 . 1 38 38 LEU CG C 13 26.878 0.017 . . . . . . A 38 LEU CG . 30807 1
408 . 1 . 1 38 38 LEU CD1 C 13 25.395 0.017 . . . . . . A 38 LEU CD1 . 30807 1
409 . 1 . 1 38 38 LEU N N 15 116.711 0.013 . . . . . . A 38 LEU N . 30807 1
410 . 1 . 1 39 39 GLY H H 1 7.466 0.003 . . . . . . A 39 GLY H . 30807 1
411 . 1 . 1 39 39 GLY HA2 H 1 3.834 0.004 . . . . . . A 39 GLY HA2 . 30807 1
412 . 1 . 1 39 39 GLY HA3 H 1 4.349 0.014 . . . . . . A 39 GLY HA3 . 30807 1
413 . 1 . 1 39 39 GLY C C 13 175.103 0.000 . . . . . . A 39 GLY C . 30807 1
414 . 1 . 1 39 39 GLY CA C 13 45.344 0.006 . . . . . . A 39 GLY CA . 30807 1
415 . 1 . 1 39 39 GLY N N 15 109.074 0.022 . . . . . . A 39 GLY N . 30807 1
416 . 1 . 1 40 40 GLU H H 1 8.628 0.003 . . . . . . A 40 GLU H . 30807 1
417 . 1 . 1 40 40 GLU HA H 1 4.048 0.004 . . . . . . A 40 GLU HA . 30807 1
418 . 1 . 1 40 40 GLU HB2 H 1 2.032 0.003 . . . . . . A 40 GLU HB2 . 30807 1
419 . 1 . 1 40 40 GLU HB3 H 1 2.075 0.012 . . . . . . A 40 GLU HB3 . 30807 1
420 . 1 . 1 40 40 GLU HG2 H 1 2.306 0.001 . . . . . . A 40 GLU HG2 . 30807 1
421 . 1 . 1 40 40 GLU HG3 H 1 2.306 0.001 . . . . . . A 40 GLU HG3 . 30807 1
422 . 1 . 1 40 40 GLU C C 13 177.016 0.000 . . . . . . A 40 GLU C . 30807 1
423 . 1 . 1 40 40 GLU CA C 13 58.749 0.110 . . . . . . A 40 GLU CA . 30807 1
424 . 1 . 1 40 40 GLU CB C 13 29.756 0.010 . . . . . . A 40 GLU CB . 30807 1
425 . 1 . 1 40 40 GLU CG C 13 36.331 0.019 . . . . . . A 40 GLU CG . 30807 1
426 . 1 . 1 40 40 GLU N N 15 120.114 0.021 . . . . . . A 40 GLU N . 30807 1
427 . 1 . 1 41 41 GLU H H 1 8.406 0.003 . . . . . . A 41 GLU H . 30807 1
428 . 1 . 1 41 41 GLU HA H 1 4.229 0.005 . . . . . . A 41 GLU HA . 30807 1
429 . 1 . 1 41 41 GLU HB2 H 1 2.143 0.004 . . . . . . A 41 GLU HB2 . 30807 1
430 . 1 . 1 41 41 GLU HB3 H 1 1.984 0.004 . . . . . . A 41 GLU HB3 . 30807 1
431 . 1 . 1 41 41 GLU HG2 H 1 2.284 0.003 . . . . . . A 41 GLU HG2 . 30807 1
432 . 1 . 1 41 41 GLU HG3 H 1 2.284 0.003 . . . . . . A 41 GLU HG3 . 30807 1
433 . 1 . 1 41 41 GLU C C 13 176.731 0.000 . . . . . . A 41 GLU C . 30807 1
434 . 1 . 1 41 41 GLU CA C 13 57.051 0.088 . . . . . . A 41 GLU CA . 30807 1
435 . 1 . 1 41 41 GLU CB C 13 29.395 0.006 . . . . . . A 41 GLU CB . 30807 1
436 . 1 . 1 41 41 GLU CG C 13 36.812 0.016 . . . . . . A 41 GLU CG . 30807 1
437 . 1 . 1 41 41 GLU N N 15 116.236 0.021 . . . . . . A 41 GLU N . 30807 1
438 . 1 . 1 42 42 PHE H H 1 7.807 0.004 . . . . . . A 42 PHE H . 30807 1
439 . 1 . 1 42 42 PHE HA H 1 4.406 0.010 . . . . . . A 42 PHE HA . 30807 1
440 . 1 . 1 42 42 PHE HB2 H 1 3.019 0.004 . . . . . . A 42 PHE HB2 . 30807 1
441 . 1 . 1 42 42 PHE HB3 H 1 3.019 0.004 . . . . . . A 42 PHE HB3 . 30807 1
442 . 1 . 1 42 42 PHE HD1 H 1 7.126 0.012 . . . . . . A 42 PHE HD1 . 30807 1
443 . 1 . 1 42 42 PHE HD2 H 1 7.126 0.012 . . . . . . A 42 PHE HD2 . 30807 1
444 . 1 . 1 42 42 PHE HE1 H 1 7.084 0.000 . . . . . . A 42 PHE HE1 . 30807 1
445 . 1 . 1 42 42 PHE HE2 H 1 7.084 0.000 . . . . . . A 42 PHE HE2 . 30807 1
446 . 1 . 1 42 42 PHE C C 13 174.887 0.000 . . . . . . A 42 PHE C . 30807 1
447 . 1 . 1 42 42 PHE CA C 13 59.057 0.094 . . . . . . A 42 PHE CA . 30807 1
448 . 1 . 1 42 42 PHE CB C 13 39.062 0.015 . . . . . . A 42 PHE CB . 30807 1
449 . 1 . 1 42 42 PHE N N 15 120.141 0.015 . . . . . . A 42 PHE N . 30807 1
450 . 1 . 1 43 43 GLU H H 1 8.149 0.003 . . . . . . A 43 GLU H . 30807 1
451 . 1 . 1 43 43 GLU HA H 1 4.300 0.004 . . . . . . A 43 GLU HA . 30807 1
452 . 1 . 1 43 43 GLU HB2 H 1 1.721 0.003 . . . . . . A 43 GLU HB2 . 30807 1
453 . 1 . 1 43 43 GLU HB3 H 1 1.721 0.003 . . . . . . A 43 GLU HB3 . 30807 1
454 . 1 . 1 43 43 GLU HG2 H 1 2.129 0.002 . . . . . . A 43 GLU HG2 . 30807 1
455 . 1 . 1 43 43 GLU HG3 H 1 2.129 0.002 . . . . . . A 43 GLU HG3 . 30807 1
456 . 1 . 1 43 43 GLU C C 13 175.268 0.000 . . . . . . A 43 GLU C . 30807 1
457 . 1 . 1 43 43 GLU CA C 13 54.954 0.096 . . . . . . A 43 GLU CA . 30807 1
458 . 1 . 1 43 43 GLU CB C 13 30.742 0.020 . . . . . . A 43 GLU CB . 30807 1
459 . 1 . 1 43 43 GLU CG C 13 36.096 0.001 . . . . . . A 43 GLU CG . 30807 1
460 . 1 . 1 43 43 GLU N N 15 128.472 0.012 . . . . . . A 43 GLU N . 30807 1
461 . 1 . 1 44 44 GLY H H 1 5.337 0.003 . . . . . . A 44 GLY H . 30807 1
462 . 1 . 1 44 44 GLY C C 13 174.192 0.000 . . . . . . A 44 GLY C . 30807 1
463 . 1 . 1 44 44 GLY CA C 13 45.346 0.000 . . . . . . A 44 GLY CA . 30807 1
464 . 1 . 1 44 44 GLY N N 15 106.170 0.023 . . . . . . A 44 GLY N . 30807 1
465 . 1 . 1 45 45 LEU H H 1 8.282 0.002 . . . . . . A 45 LEU H . 30807 1
466 . 1 . 1 45 45 LEU HA H 1 4.715 0.012 . . . . . . A 45 LEU HA . 30807 1
467 . 1 . 1 45 45 LEU HB2 H 1 1.276 0.002 . . . . . . A 45 LEU HB2 . 30807 1
468 . 1 . 1 45 45 LEU HB3 H 1 1.276 0.002 . . . . . . A 45 LEU HB3 . 30807 1
469 . 1 . 1 45 45 LEU HG H 1 1.353 0.001 . . . . . . A 45 LEU HG . 30807 1
470 . 1 . 1 45 45 LEU HD11 H 1 0.791 0.000 . . . . . . A 45 LEU HD11 . 30807 1
471 . 1 . 1 45 45 LEU HD12 H 1 0.791 0.000 . . . . . . A 45 LEU HD12 . 30807 1
472 . 1 . 1 45 45 LEU HD13 H 1 0.791 0.000 . . . . . . A 45 LEU HD13 . 30807 1
473 . 1 . 1 45 45 LEU C C 13 175.829 0.000 . . . . . . A 45 LEU C . 30807 1
474 . 1 . 1 45 45 LEU CA C 13 53.654 0.000 . . . . . . A 45 LEU CA . 30807 1
475 . 1 . 1 45 45 LEU CB C 13 44.690 0.017 . . . . . . A 45 LEU CB . 30807 1
476 . 1 . 1 45 45 LEU CG C 13 27.159 0.015 . . . . . . A 45 LEU CG . 30807 1
477 . 1 . 1 45 45 LEU CD1 C 13 25.294 0.000 . . . . . . A 45 LEU CD1 . 30807 1
478 . 1 . 1 45 45 LEU CD2 C 13 23.539 0.004 . . . . . . A 45 LEU CD2 . 30807 1
479 . 1 . 1 45 45 LEU N N 15 120.602 0.022 . . . . . . A 45 LEU N . 30807 1
480 . 1 . 1 46 46 VAL H H 1 8.298 0.003 . . . . . . A 46 VAL H . 30807 1
481 . 1 . 1 46 46 VAL HA H 1 5.116 0.019 . . . . . . A 46 VAL HA . 30807 1
482 . 1 . 1 46 46 VAL HB H 1 2.029 0.008 . . . . . . A 46 VAL HB . 30807 1
483 . 1 . 1 46 46 VAL HG11 H 1 0.981 0.002 . . . . . . A 46 VAL HG11 . 30807 1
484 . 1 . 1 46 46 VAL HG12 H 1 0.981 0.002 . . . . . . A 46 VAL HG12 . 30807 1
485 . 1 . 1 46 46 VAL HG13 H 1 0.981 0.002 . . . . . . A 46 VAL HG13 . 30807 1
486 . 1 . 1 46 46 VAL C C 13 174.473 0.000 . . . . . . A 46 VAL C . 30807 1
487 . 1 . 1 46 46 VAL CA C 13 60.888 0.103 . . . . . . A 46 VAL CA . 30807 1
488 . 1 . 1 46 46 VAL CB C 13 35.246 0.010 . . . . . . A 46 VAL CB . 30807 1
489 . 1 . 1 46 46 VAL CG1 C 13 22.750 0.021 . . . . . . A 46 VAL CG1 . 30807 1
490 . 1 . 1 46 46 VAL CG2 C 13 21.263 0.000 . . . . . . A 46 VAL CG2 . 30807 1
491 . 1 . 1 46 46 VAL N N 15 117.675 0.021 . . . . . . A 46 VAL N . 30807 1
492 . 1 . 1 47 47 TYR H H 1 8.933 0.007 . . . . . . A 47 TYR H . 30807 1
493 . 1 . 1 47 47 TYR HA H 1 5.152 0.008 . . . . . . A 47 TYR HA . 30807 1
494 . 1 . 1 47 47 TYR HB2 H 1 3.019 0.006 . . . . . . A 47 TYR HB2 . 30807 1
495 . 1 . 1 47 47 TYR HB3 H 1 2.923 0.009 . . . . . . A 47 TYR HB3 . 30807 1
496 . 1 . 1 47 47 TYR HD1 H 1 6.857 0.001 . . . . . . A 47 TYR HD1 . 30807 1
497 . 1 . 1 47 47 TYR HD2 H 1 6.857 0.001 . . . . . . A 47 TYR HD2 . 30807 1
498 . 1 . 1 47 47 TYR HE1 H 1 6.656 0.001 . . . . . . A 47 TYR HE1 . 30807 1
499 . 1 . 1 47 47 TYR HE2 H 1 6.656 0.001 . . . . . . A 47 TYR HE2 . 30807 1
500 . 1 . 1 47 47 TYR C C 13 174.215 0.000 . . . . . . A 47 TYR C . 30807 1
501 . 1 . 1 47 47 TYR CA C 13 55.569 0.099 . . . . . . A 47 TYR CA . 30807 1
502 . 1 . 1 47 47 TYR CB C 13 41.514 0.014 . . . . . . A 47 TYR CB . 30807 1
503 . 1 . 1 47 47 TYR N N 15 123.401 0.029 . . . . . . A 47 TYR N . 30807 1
504 . 1 . 1 48 48 ARG H H 1 8.654 0.004 . . . . . . A 48 ARG H . 30807 1
505 . 1 . 1 48 48 ARG HB2 H 1 1.375 0.001 . . . . . . A 48 ARG HB2 . 30807 1
506 . 1 . 1 48 48 ARG HB3 H 1 1.433 0.000 . . . . . . A 48 ARG HB3 . 30807 1
507 . 1 . 1 48 48 ARG HG2 H 1 0.857 0.000 . . . . . . A 48 ARG HG2 . 30807 1
508 . 1 . 1 48 48 ARG HG3 H 1 0.719 0.000 . . . . . . A 48 ARG HG3 . 30807 1
509 . 1 . 1 48 48 ARG HD2 H 1 3.338 0.005 . . . . . . A 48 ARG HD2 . 30807 1
510 . 1 . 1 48 48 ARG HD3 H 1 3.338 0.005 . . . . . . A 48 ARG HD3 . 30807 1
511 . 1 . 1 48 48 ARG C C 13 176.077 0.000 . . . . . . A 48 ARG C . 30807 1
512 . 1 . 1 48 48 ARG CA C 13 56.496 0.000 . . . . . . A 48 ARG CA . 30807 1
513 . 1 . 1 48 48 ARG CB C 13 31.253 0.018 . . . . . . A 48 ARG CB . 30807 1
514 . 1 . 1 48 48 ARG CG C 13 28.466 0.004 . . . . . . A 48 ARG CG . 30807 1
515 . 1 . 1 48 48 ARG CD C 13 43.321 0.000 . . . . . . A 48 ARG CD . 30807 1
516 . 1 . 1 48 48 ARG N N 15 122.916 0.035 . . . . . . A 48 ARG N . 30807 1
517 . 1 . 1 49 49 GLU H H 1 9.126 0.003 . . . . . . A 49 GLU H . 30807 1
518 . 1 . 1 49 49 GLU HA H 1 4.440 0.006 . . . . . . A 49 GLU HA . 30807 1
519 . 1 . 1 49 49 GLU HB2 H 1 1.933 0.002 . . . . . . A 49 GLU HB2 . 30807 1
520 . 1 . 1 49 49 GLU HB3 H 1 1.566 0.006 . . . . . . A 49 GLU HB3 . 30807 1
521 . 1 . 1 49 49 GLU HG2 H 1 2.093 0.005 . . . . . . A 49 GLU HG2 . 30807 1
522 . 1 . 1 49 49 GLU HG3 H 1 2.093 0.005 . . . . . . A 49 GLU HG3 . 30807 1
523 . 1 . 1 49 49 GLU C C 13 176.631 0.000 . . . . . . A 49 GLU C . 30807 1
524 . 1 . 1 49 49 GLU CA C 13 57.170 0.096 . . . . . . A 49 GLU CA . 30807 1
525 . 1 . 1 49 49 GLU CB C 13 31.752 0.004 . . . . . . A 49 GLU CB . 30807 1
526 . 1 . 1 49 49 GLU CG C 13 36.172 0.016 . . . . . . A 49 GLU CG . 30807 1
527 . 1 . 1 49 49 GLU N N 15 127.442 0.021 . . . . . . A 49 GLU N . 30807 1
528 . 1 . 1 50 50 THR H H 1 7.570 0.003 . . . . . . A 50 THR H . 30807 1
529 . 1 . 1 50 50 THR HA H 1 4.683 0.005 . . . . . . A 50 THR HA . 30807 1
530 . 1 . 1 50 50 THR HB H 1 4.300 0.004 . . . . . . A 50 THR HB . 30807 1
531 . 1 . 1 50 50 THR HG21 H 1 1.108 0.003 . . . . . . A 50 THR HG21 . 30807 1
532 . 1 . 1 50 50 THR HG22 H 1 1.108 0.003 . . . . . . A 50 THR HG22 . 30807 1
533 . 1 . 1 50 50 THR HG23 H 1 1.108 0.003 . . . . . . A 50 THR HG23 . 30807 1
534 . 1 . 1 50 50 THR C C 13 173.894 0.000 . . . . . . A 50 THR C . 30807 1
535 . 1 . 1 50 50 THR CA C 13 60.364 0.098 . . . . . . A 50 THR CA . 30807 1
536 . 1 . 1 50 50 THR CB C 13 72.338 0.105 . . . . . . A 50 THR CB . 30807 1
537 . 1 . 1 50 50 THR CG2 C 13 22.239 0.011 . . . . . . A 50 THR CG2 . 30807 1
538 . 1 . 1 50 50 THR N N 15 108.590 0.019 . . . . . . A 50 THR N . 30807 1
539 . 1 . 1 51 51 GLY H H 1 8.377 0.004 . . . . . . A 51 GLY H . 30807 1
540 . 1 . 1 51 51 GLY HA2 H 1 3.976 0.004 . . . . . . A 51 GLY HA2 . 30807 1
541 . 1 . 1 51 51 GLY HA3 H 1 4.431 0.012 . . . . . . A 51 GLY HA3 . 30807 1
542 . 1 . 1 51 51 GLY C C 13 174.034 0.000 . . . . . . A 51 GLY C . 30807 1
543 . 1 . 1 51 51 GLY CA C 13 44.681 0.001 . . . . . . A 51 GLY CA . 30807 1
544 . 1 . 1 51 51 GLY N N 15 107.292 0.045 . . . . . . A 51 GLY N . 30807 1
545 . 1 . 1 52 52 GLU H H 1 8.578 0.003 . . . . . . A 52 GLU H . 30807 1
546 . 1 . 1 52 52 GLU HA H 1 4.346 0.006 . . . . . . A 52 GLU HA . 30807 1
547 . 1 . 1 52 52 GLU HB2 H 1 1.869 0.002 . . . . . . A 52 GLU HB2 . 30807 1
548 . 1 . 1 52 52 GLU HB3 H 1 2.169 0.004 . . . . . . A 52 GLU HB3 . 30807 1
549 . 1 . 1 52 52 GLU HG2 H 1 2.298 0.002 . . . . . . A 52 GLU HG2 . 30807 1
550 . 1 . 1 52 52 GLU HG3 H 1 2.170 0.007 . . . . . . A 52 GLU HG3 . 30807 1
551 . 1 . 1 52 52 GLU C C 13 177.150 0.000 . . . . . . A 52 GLU C . 30807 1
552 . 1 . 1 52 52 GLU CA C 13 56.041 0.096 . . . . . . A 52 GLU CA . 30807 1
553 . 1 . 1 52 52 GLU CB C 13 30.970 0.001 . . . . . . A 52 GLU CB . 30807 1
554 . 1 . 1 52 52 GLU CG C 13 36.254 0.000 . . . . . . A 52 GLU CG . 30807 1
555 . 1 . 1 52 52 GLU N N 15 119.490 0.015 . . . . . . A 52 GLU N . 30807 1
556 . 1 . 1 53 53 SER H H 1 8.525 0.002 . . . . . . A 53 SER H . 30807 1
557 . 1 . 1 53 53 SER HA H 1 4.335 0.000 . . . . . . A 53 SER HA . 30807 1
558 . 1 . 1 53 53 SER N N 15 115.316 0.024 . . . . . . A 53 SER N . 30807 1
559 . 1 . 1 54 54 ASN HA H 1 4.797 0.006 . . . . . . A 54 ASN HA . 30807 1
560 . 1 . 1 54 54 ASN HB2 H 1 2.948 0.008 . . . . . . A 54 ASN HB2 . 30807 1
561 . 1 . 1 54 54 ASN HB3 H 1 2.991 0.000 . . . . . . A 54 ASN HB3 . 30807 1
562 . 1 . 1 54 54 ASN C C 13 175.425 0.000 . . . . . . A 54 ASN C . 30807 1
563 . 1 . 1 54 54 ASN CA C 13 53.631 0.120 . . . . . . A 54 ASN CA . 30807 1
564 . 1 . 1 54 54 ASN CB C 13 38.649 0.019 . . . . . . A 54 ASN CB . 30807 1
565 . 1 . 1 55 55 GLY H H 1 8.241 0.003 . . . . . . A 55 GLY H . 30807 1
566 . 1 . 1 55 55 GLY HA2 H 1 3.982 0.004 . . . . . . A 55 GLY HA2 . 30807 1
567 . 1 . 1 55 55 GLY HA3 H 1 4.521 0.008 . . . . . . A 55 GLY HA3 . 30807 1
568 . 1 . 1 55 55 GLY C C 13 173.876 0.000 . . . . . . A 55 GLY C . 30807 1
569 . 1 . 1 55 55 GLY CA C 13 44.721 0.001 . . . . . . A 55 GLY CA . 30807 1
570 . 1 . 1 55 55 GLY N N 15 107.856 0.011 . . . . . . A 55 GLY N . 30807 1
571 . 1 . 1 56 56 SER H H 1 8.229 0.003 . . . . . . A 56 SER H . 30807 1
572 . 1 . 1 56 56 SER HA H 1 4.865 0.005 . . . . . . A 56 SER HA . 30807 1
573 . 1 . 1 56 56 SER HB2 H 1 4.216 0.008 . . . . . . A 56 SER HB2 . 30807 1
574 . 1 . 1 56 56 SER HB3 H 1 4.032 0.006 . . . . . . A 56 SER HB3 . 30807 1
575 . 1 . 1 56 56 SER C C 13 174.672 0.000 . . . . . . A 56 SER C . 30807 1
576 . 1 . 1 56 56 SER CA C 13 58.525 0.101 . . . . . . A 56 SER CA . 30807 1
577 . 1 . 1 56 56 SER CB C 13 65.034 0.094 . . . . . . A 56 SER CB . 30807 1
578 . 1 . 1 56 56 SER N N 15 114.437 0.024 . . . . . . A 56 SER N . 30807 1
579 . 1 . 1 57 57 GLY H H 1 8.340 0.003 . . . . . . A 57 GLY H . 30807 1
580 . 1 . 1 57 57 GLY HA2 H 1 3.872 0.004 . . . . . . A 57 GLY HA2 . 30807 1
581 . 1 . 1 57 57 GLY HA3 H 1 4.090 0.006 . . . . . . A 57 GLY HA3 . 30807 1
582 . 1 . 1 57 57 GLY C C 13 170.630 0.000 . . . . . . A 57 GLY C . 30807 1
583 . 1 . 1 57 57 GLY CA C 13 45.870 0.000 . . . . . . A 57 GLY CA . 30807 1
584 . 1 . 1 57 57 GLY N N 15 106.726 0.024 . . . . . . A 57 GLY N . 30807 1
585 . 1 . 1 58 58 MET H H 1 7.900 0.003 . . . . . . A 58 MET H . 30807 1
586 . 1 . 1 58 58 MET HA H 1 5.406 0.011 . . . . . . A 58 MET HA . 30807 1
587 . 1 . 1 58 58 MET HB2 H 1 2.046 0.005 . . . . . . A 58 MET HB2 . 30807 1
588 . 1 . 1 58 58 MET HB3 H 1 1.715 0.001 . . . . . . A 58 MET HB3 . 30807 1
589 . 1 . 1 58 58 MET HG2 H 1 2.701 0.007 . . . . . . A 58 MET HG2 . 30807 1
590 . 1 . 1 58 58 MET HG3 H 1 2.522 0.004 . . . . . . A 58 MET HG3 . 30807 1
591 . 1 . 1 58 58 MET HE1 H 1 1.707 0.004 . . . . . . A 58 MET HE1 . 30807 1
592 . 1 . 1 58 58 MET HE2 H 1 1.707 0.004 . . . . . . A 58 MET HE2 . 30807 1
593 . 1 . 1 58 58 MET HE3 H 1 1.707 0.004 . . . . . . A 58 MET HE3 . 30807 1
594 . 1 . 1 58 58 MET C C 13 176.191 0.000 . . . . . . A 58 MET C . 30807 1
595 . 1 . 1 58 58 MET CA C 13 52.661 0.081 . . . . . . A 58 MET CA . 30807 1
596 . 1 . 1 58 58 MET CB C 13 32.366 0.026 . . . . . . A 58 MET CB . 30807 1
597 . 1 . 1 58 58 MET CG C 13 31.690 0.024 . . . . . . A 58 MET CG . 30807 1
598 . 1 . 1 58 58 MET N N 15 115.866 0.022 . . . . . . A 58 MET N . 30807 1
599 . 1 . 1 59 59 PHE H H 1 9.086 0.008 . . . . . . A 59 PHE H . 30807 1
600 . 1 . 1 59 59 PHE HA H 1 4.836 0.004 . . . . . . A 59 PHE HA . 30807 1
601 . 1 . 1 59 59 PHE HB2 H 1 2.135 0.004 . . . . . . A 59 PHE HB2 . 30807 1
602 . 1 . 1 59 59 PHE HB3 H 1 1.614 0.005 . . . . . . A 59 PHE HB3 . 30807 1
603 . 1 . 1 59 59 PHE HD1 H 1 6.803 0.000 . . . . . . A 59 PHE HD1 . 30807 1
604 . 1 . 1 59 59 PHE HD2 H 1 6.803 0.000 . . . . . . A 59 PHE HD2 . 30807 1
605 . 1 . 1 59 59 PHE HE1 H 1 6.967 0.003 . . . . . . A 59 PHE HE1 . 30807 1
606 . 1 . 1 59 59 PHE HE2 H 1 6.967 0.003 . . . . . . A 59 PHE HE2 . 30807 1
607 . 1 . 1 59 59 PHE C C 13 172.257 0.000 . . . . . . A 59 PHE C . 30807 1
608 . 1 . 1 59 59 PHE CA C 13 56.543 0.101 . . . . . . A 59 PHE CA . 30807 1
609 . 1 . 1 59 59 PHE CB C 13 43.805 0.013 . . . . . . A 59 PHE CB . 30807 1
610 . 1 . 1 59 59 PHE N N 15 121.760 0.016 . . . . . . A 59 PHE N . 30807 1
611 . 1 . 1 60 60 GLN H H 1 8.665 0.003 . . . . . . A 60 GLN H . 30807 1
612 . 1 . 1 60 60 GLN HA H 1 4.337 0.004 . . . . . . A 60 GLN HA . 30807 1
613 . 1 . 1 60 60 GLN HB2 H 1 1.751 0.009 . . . . . . A 60 GLN HB2 . 30807 1
614 . 1 . 1 60 60 GLN HB3 H 1 1.751 0.009 . . . . . . A 60 GLN HB3 . 30807 1
615 . 1 . 1 60 60 GLN HG2 H 1 1.777 0.000 . . . . . . A 60 GLN HG2 . 30807 1
616 . 1 . 1 60 60 GLN HG3 H 1 1.777 0.000 . . . . . . A 60 GLN HG3 . 30807 1
617 . 1 . 1 60 60 GLN C C 13 173.778 0.000 . . . . . . A 60 GLN C . 30807 1
618 . 1 . 1 60 60 GLN CA C 13 53.949 0.118 . . . . . . A 60 GLN CA . 30807 1
619 . 1 . 1 60 60 GLN CB C 13 33.727 0.012 . . . . . . A 60 GLN CB . 30807 1
620 . 1 . 1 60 60 GLN CG C 13 34.293 0.022 . . . . . . A 60 GLN CG . 30807 1
621 . 1 . 1 60 60 GLN N N 15 118.380 0.010 . . . . . . A 60 GLN N . 30807 1
622 . 1 . 1 61 61 ALA H H 1 9.228 0.005 . . . . . . A 61 ALA H . 30807 1
623 . 1 . 1 61 61 ALA HA H 1 5.481 0.013 . . . . . . A 61 ALA HA . 30807 1
624 . 1 . 1 61 61 ALA HB1 H 1 1.375 0.004 . . . . . . A 61 ALA HB1 . 30807 1
625 . 1 . 1 61 61 ALA HB2 H 1 1.375 0.004 . . . . . . A 61 ALA HB2 . 30807 1
626 . 1 . 1 61 61 ALA HB3 H 1 1.375 0.004 . . . . . . A 61 ALA HB3 . 30807 1
627 . 1 . 1 61 61 ALA C C 13 177.945 0.000 . . . . . . A 61 ALA C . 30807 1
628 . 1 . 1 61 61 ALA CA C 13 51.901 0.115 . . . . . . A 61 ALA CA . 30807 1
629 . 1 . 1 61 61 ALA CB C 13 20.904 0.003 . . . . . . A 61 ALA CB . 30807 1
630 . 1 . 1 61 61 ALA N N 15 130.019 0.033 . . . . . . A 61 ALA N . 30807 1
631 . 1 . 1 62 62 TYR H H 1 9.040 0.005 . . . . . . A 62 TYR H . 30807 1
632 . 1 . 1 62 62 TYR HA H 1 5.192 0.009 . . . . . . A 62 TYR HA . 30807 1
633 . 1 . 1 62 62 TYR HB2 H 1 2.943 0.013 . . . . . . A 62 TYR HB2 . 30807 1
634 . 1 . 1 62 62 TYR HB3 H 1 2.686 0.015 . . . . . . A 62 TYR HB3 . 30807 1
635 . 1 . 1 62 62 TYR HD1 H 1 6.918 0.016 . . . . . . A 62 TYR HD1 . 30807 1
636 . 1 . 1 62 62 TYR HD2 H 1 6.918 0.016 . . . . . . A 62 TYR HD2 . 30807 1
637 . 1 . 1 62 62 TYR HE1 H 1 6.855 0.000 . . . . . . A 62 TYR HE1 . 30807 1
638 . 1 . 1 62 62 TYR HE2 H 1 6.855 0.000 . . . . . . A 62 TYR HE2 . 30807 1
639 . 1 . 1 62 62 TYR C C 13 174.212 0.000 . . . . . . A 62 TYR C . 30807 1
640 . 1 . 1 62 62 TYR CA C 13 57.550 0.115 . . . . . . A 62 TYR CA . 30807 1
641 . 1 . 1 62 62 TYR CB C 13 42.570 0.028 . . . . . . A 62 TYR CB . 30807 1
642 . 1 . 1 62 62 TYR N N 15 119.487 0.017 . . . . . . A 62 TYR N . 30807 1
643 . 1 . 1 63 63 HIS H H 1 9.012 0.005 . . . . . . A 63 HIS H . 30807 1
644 . 1 . 1 63 63 HIS HA H 1 4.881 0.003 . . . . . . A 63 HIS HA . 30807 1
645 . 1 . 1 63 63 HIS HB2 H 1 3.099 0.011 . . . . . . A 63 HIS HB2 . 30807 1
646 . 1 . 1 63 63 HIS HB3 H 1 3.143 0.001 . . . . . . A 63 HIS HB3 . 30807 1
647 . 1 . 1 63 63 HIS HD1 H 1 6.996 0.003 . . . . . . A 63 HIS HD1 . 30807 1
648 . 1 . 1 63 63 HIS C C 13 174.696 0.000 . . . . . . A 63 HIS C . 30807 1
649 . 1 . 1 63 63 HIS CA C 13 55.040 0.094 . . . . . . A 63 HIS CA . 30807 1
650 . 1 . 1 63 63 HIS CB C 13 32.148 0.014 . . . . . . A 63 HIS CB . 30807 1
651 . 1 . 1 63 63 HIS N N 15 117.853 0.039 . . . . . . A 63 HIS N . 30807 1
652 . 1 . 1 64 64 HIS H H 1 8.691 0.005 . . . . . . A 64 HIS H . 30807 1
653 . 1 . 1 64 64 HIS HA H 1 4.738 0.005 . . . . . . A 64 HIS HA . 30807 1
654 . 1 . 1 64 64 HIS HB2 H 1 3.001 0.006 . . . . . . A 64 HIS HB2 . 30807 1
655 . 1 . 1 64 64 HIS HB3 H 1 2.929 0.006 . . . . . . A 64 HIS HB3 . 30807 1
656 . 1 . 1 64 64 HIS HD1 H 1 6.942 0.009 . . . . . . A 64 HIS HD1 . 30807 1
657 . 1 . 1 64 64 HIS C C 13 174.713 0.000 . . . . . . A 64 HIS C . 30807 1
658 . 1 . 1 64 64 HIS CA C 13 56.393 0.098 . . . . . . A 64 HIS CA . 30807 1
659 . 1 . 1 64 64 HIS CB C 13 30.943 0.035 . . . . . . A 64 HIS CB . 30807 1
660 . 1 . 1 64 64 HIS N N 15 121.226 0.040 . . . . . . A 64 HIS N . 30807 1
661 . 1 . 1 65 65 LEU H H 1 8.485 0.003 . . . . . . A 65 LEU H . 30807 1
662 . 1 . 1 65 65 LEU HA H 1 4.257 0.000 . . . . . . A 65 LEU HA . 30807 1
663 . 1 . 1 65 65 LEU HB2 H 1 1.388 0.000 . . . . . . A 65 LEU HB2 . 30807 1
664 . 1 . 1 65 65 LEU HB3 H 1 1.388 0.000 . . . . . . A 65 LEU HB3 . 30807 1
665 . 1 . 1 65 65 LEU HD11 H 1 0.832 0.000 . . . . . . A 65 LEU HD11 . 30807 1
666 . 1 . 1 65 65 LEU HD12 H 1 0.832 0.000 . . . . . . A 65 LEU HD12 . 30807 1
667 . 1 . 1 65 65 LEU HD13 H 1 0.832 0.000 . . . . . . A 65 LEU HD13 . 30807 1
668 . 1 . 1 65 65 LEU C C 13 176.463 0.000 . . . . . . A 65 LEU C . 30807 1
669 . 1 . 1 65 65 LEU CA C 13 54.590 0.000 . . . . . . A 65 LEU CA . 30807 1
670 . 1 . 1 65 65 LEU CB C 13 42.603 0.000 . . . . . . A 65 LEU CB . 30807 1
671 . 1 . 1 65 65 LEU CG C 13 26.873 0.000 . . . . . . A 65 LEU CG . 30807 1
672 . 1 . 1 65 65 LEU CD1 C 13 24.825 0.000 . . . . . . A 65 LEU CD1 . 30807 1
673 . 1 . 1 65 65 LEU N N 15 125.746 0.029 . . . . . . A 65 LEU N . 30807 1
674 . 1 . 1 66 66 HIS H H 1 8.467 0.007 . . . . . . A 66 HIS H . 30807 1
675 . 1 . 1 66 66 HIS HA H 1 4.243 0.000 . . . . . . A 66 HIS HA . 30807 1
676 . 1 . 1 66 66 HIS HB2 H 1 2.183 0.000 . . . . . . A 66 HIS HB2 . 30807 1
677 . 1 . 1 66 66 HIS HB3 H 1 1.905 0.000 . . . . . . A 66 HIS HB3 . 30807 1
678 . 1 . 1 66 66 HIS C C 13 176.490 0.000 . . . . . . A 66 HIS C . 30807 1
679 . 1 . 1 66 66 HIS CA C 13 56.715 0.000 . . . . . . A 66 HIS CA . 30807 1
680 . 1 . 1 66 66 HIS CB C 13 30.365 0.000 . . . . . . A 66 HIS CB . 30807 1
681 . 1 . 1 66 66 HIS N N 15 121.401 0.031 . . . . . . A 66 HIS N . 30807 1
682 . 1 . 1 67 67 GLY H H 1 8.005 0.003 . . . . . . A 67 GLY H . 30807 1
683 . 1 . 1 67 67 GLY HA2 H 1 3.773 0.002 . . . . . . A 67 GLY HA2 . 30807 1
684 . 1 . 1 67 67 GLY HA3 H 1 4.074 0.002 . . . . . . A 67 GLY HA3 . 30807 1
685 . 1 . 1 67 67 GLY C C 13 174.482 0.000 . . . . . . A 67 GLY C . 30807 1
686 . 1 . 1 67 67 GLY CA C 13 45.410 0.000 . . . . . . A 67 GLY CA . 30807 1
687 . 1 . 1 67 67 GLY N N 15 110.054 0.024 . . . . . . A 67 GLY N . 30807 1
688 . 1 . 1 68 68 THR H H 1 8.123 0.001 . . . . . . A 68 THR H . 30807 1
689 . 1 . 1 68 68 THR HA H 1 4.357 0.011 . . . . . . A 68 THR HA . 30807 1
690 . 1 . 1 68 68 THR HB H 1 4.175 0.012 . . . . . . A 68 THR HB . 30807 1
691 . 1 . 1 68 68 THR HG21 H 1 1.169 0.009 . . . . . . A 68 THR HG21 . 30807 1
692 . 1 . 1 68 68 THR HG22 H 1 1.169 0.009 . . . . . . A 68 THR HG22 . 30807 1
693 . 1 . 1 68 68 THR HG23 H 1 1.169 0.009 . . . . . . A 68 THR HG23 . 30807 1
694 . 1 . 1 68 68 THR C C 13 173.883 0.000 . . . . . . A 68 THR C . 30807 1
695 . 1 . 1 68 68 THR CA C 13 61.551 0.120 . . . . . . A 68 THR CA . 30807 1
696 . 1 . 1 68 68 THR CB C 13 70.337 0.111 . . . . . . A 68 THR CB . 30807 1
697 . 1 . 1 68 68 THR CG2 C 13 21.573 0.020 . . . . . . A 68 THR CG2 . 30807 1
698 . 1 . 1 68 68 THR N N 15 113.477 0.007 . . . . . . A 68 THR N . 30807 1
699 . 1 . 1 69 69 ASN H H 1 8.199 0.002 . . . . . . A 69 ASN H . 30807 1
700 . 1 . 1 69 69 ASN HA H 1 4.397 0.000 . . . . . . A 69 ASN HA . 30807 1
701 . 1 . 1 69 69 ASN HB2 H 1 2.266 0.000 . . . . . . A 69 ASN HB2 . 30807 1
702 . 1 . 1 69 69 ASN HB3 H 1 1.960 0.000 . . . . . . A 69 ASN HB3 . 30807 1
703 . 1 . 1 69 69 ASN C C 13 177.380 0.000 . . . . . . A 69 ASN C . 30807 1
704 . 1 . 1 69 69 ASN CA C 13 63.684 0.000 . . . . . . A 69 ASN CA . 30807 1
705 . 1 . 1 69 69 ASN CB C 13 32.236 0.000 . . . . . . A 69 ASN CB . 30807 1
706 . 1 . 1 69 69 ASN N N 15 121.758 0.030 . . . . . . A 69 ASN N . 30807 1
707 . 1 . 1 70 70 ARG H H 1 8.312 0.005 . . . . . . A 70 ARG H . 30807 1
708 . 1 . 1 70 70 ARG HA H 1 4.278 0.008 . . . . . . A 70 ARG HA . 30807 1
709 . 1 . 1 70 70 ARG HB2 H 1 1.721 0.011 . . . . . . A 70 ARG HB2 . 30807 1
710 . 1 . 1 70 70 ARG HB3 H 1 1.721 0.011 . . . . . . A 70 ARG HB3 . 30807 1
711 . 1 . 1 70 70 ARG HG2 H 1 1.502 0.057 . . . . . . A 70 ARG HG2 . 30807 1
712 . 1 . 1 70 70 ARG HG3 H 1 1.502 0.057 . . . . . . A 70 ARG HG3 . 30807 1
713 . 1 . 1 70 70 ARG C C 13 175.958 0.000 . . . . . . A 70 ARG C . 30807 1
714 . 1 . 1 70 70 ARG CA C 13 56.659 0.103 . . . . . . A 70 ARG CA . 30807 1
715 . 1 . 1 70 70 ARG CB C 13 30.342 0.018 . . . . . . A 70 ARG CB . 30807 1
716 . 1 . 1 70 70 ARG CG C 13 26.623 0.016 . . . . . . A 70 ARG CG . 30807 1
717 . 1 . 1 70 70 ARG CD C 13 43.148 0.000 . . . . . . A 70 ARG CD . 30807 1
718 . 1 . 1 70 70 ARG N N 15 119.186 0.016 . . . . . . A 70 ARG N . 30807 1
719 . 1 . 1 71 71 THR H H 1 7.888 0.004 . . . . . . A 71 THR H . 30807 1
720 . 1 . 1 71 71 THR HA H 1 4.274 0.035 . . . . . . A 71 THR HA . 30807 1
721 . 1 . 1 71 71 THR HB H 1 4.178 0.004 . . . . . . A 71 THR HB . 30807 1
722 . 1 . 1 71 71 THR HG21 H 1 1.155 0.007 . . . . . . A 71 THR HG21 . 30807 1
723 . 1 . 1 71 71 THR HG22 H 1 1.155 0.007 . . . . . . A 71 THR HG22 . 30807 1
724 . 1 . 1 71 71 THR HG23 H 1 1.155 0.007 . . . . . . A 71 THR HG23 . 30807 1
725 . 1 . 1 71 71 THR C C 13 174.664 0.000 . . . . . . A 71 THR C . 30807 1
726 . 1 . 1 71 71 THR CA C 13 62.710 0.102 . . . . . . A 71 THR CA . 30807 1
727 . 1 . 1 71 71 THR CB C 13 69.789 0.106 . . . . . . A 71 THR CB . 30807 1
728 . 1 . 1 71 71 THR CG2 C 13 21.794 0.014 . . . . . . A 71 THR CG2 . 30807 1
729 . 1 . 1 71 71 THR N N 15 113.032 0.033 . . . . . . A 71 THR N . 30807 1
730 . 1 . 1 72 72 GLU H H 1 8.512 0.002 . . . . . . A 72 GLU H . 30807 1
731 . 1 . 1 72 72 GLU HA H 1 4.619 0.005 . . . . . . A 72 GLU HA . 30807 1
732 . 1 . 1 72 72 GLU HB2 H 1 1.976 0.008 . . . . . . A 72 GLU HB2 . 30807 1
733 . 1 . 1 72 72 GLU HB3 H 1 2.103 0.000 . . . . . . A 72 GLU HB3 . 30807 1
734 . 1 . 1 72 72 GLU HG2 H 1 2.198 0.004 . . . . . . A 72 GLU HG2 . 30807 1
735 . 1 . 1 72 72 GLU HG3 H 1 2.198 0.004 . . . . . . A 72 GLU HG3 . 30807 1
736 . 1 . 1 72 72 GLU C C 13 176.457 0.000 . . . . . . A 72 GLU C . 30807 1
737 . 1 . 1 72 72 GLU CA C 13 56.597 0.106 . . . . . . A 72 GLU CA . 30807 1
738 . 1 . 1 72 72 GLU CB C 13 30.681 0.018 . . . . . . A 72 GLU CB . 30807 1
739 . 1 . 1 72 72 GLU CG C 13 36.475 0.013 . . . . . . A 72 GLU CG . 30807 1
740 . 1 . 1 72 72 GLU N N 15 122.558 0.022 . . . . . . A 72 GLU N . 30807 1
741 . 1 . 1 73 73 THR H H 1 8.488 0.004 . . . . . . A 73 THR H . 30807 1
742 . 1 . 1 73 73 THR HA H 1 4.825 0.004 . . . . . . A 73 THR HA . 30807 1
743 . 1 . 1 73 73 THR HB H 1 4.390 0.010 . . . . . . A 73 THR HB . 30807 1
744 . 1 . 1 73 73 THR HG21 H 1 1.247 0.002 . . . . . . A 73 THR HG21 . 30807 1
745 . 1 . 1 73 73 THR HG22 H 1 1.247 0.002 . . . . . . A 73 THR HG22 . 30807 1
746 . 1 . 1 73 73 THR HG23 H 1 1.247 0.002 . . . . . . A 73 THR HG23 . 30807 1
747 . 1 . 1 73 73 THR C C 13 174.370 0.000 . . . . . . A 73 THR C . 30807 1
748 . 1 . 1 73 73 THR CA C 13 60.809 0.105 . . . . . . A 73 THR CA . 30807 1
749 . 1 . 1 73 73 THR CB C 13 70.391 0.114 . . . . . . A 73 THR CB . 30807 1
750 . 1 . 1 73 73 THR CG2 C 13 21.805 0.014 . . . . . . A 73 THR CG2 . 30807 1
751 . 1 . 1 73 73 THR N N 15 114.536 0.027 . . . . . . A 73 THR N . 30807 1
752 . 1 . 1 74 74 THR H H 1 7.993 0.004 . . . . . . A 74 THR H . 30807 1
753 . 1 . 1 74 74 THR HA H 1 4.053 0.012 . . . . . . A 74 THR HA . 30807 1
754 . 1 . 1 74 74 THR HB H 1 4.108 0.000 . . . . . . A 74 THR HB . 30807 1
755 . 1 . 1 74 74 THR HG21 H 1 0.977 0.014 . . . . . . A 74 THR HG21 . 30807 1
756 . 1 . 1 74 74 THR HG22 H 1 0.977 0.014 . . . . . . A 74 THR HG22 . 30807 1
757 . 1 . 1 74 74 THR HG23 H 1 0.977 0.014 . . . . . . A 74 THR HG23 . 30807 1
758 . 1 . 1 74 74 THR C C 13 174.284 0.000 . . . . . . A 74 THR C . 30807 1
759 . 1 . 1 74 74 THR CA C 13 62.248 0.122 . . . . . . A 74 THR CA . 30807 1
760 . 1 . 1 74 74 THR CB C 13 70.465 0.105 . . . . . . A 74 THR CB . 30807 1
761 . 1 . 1 74 74 THR CG2 C 13 23.025 0.000 . . . . . . A 74 THR CG2 . 30807 1
762 . 1 . 1 74 74 THR N N 15 114.106 0.020 . . . . . . A 74 THR N . 30807 1
763 . 1 . 1 75 75 VAL H H 1 7.691 0.004 . . . . . . A 75 VAL H . 30807 1
764 . 1 . 1 75 75 VAL HA H 1 4.107 0.010 . . . . . . A 75 VAL HA . 30807 1
765 . 1 . 1 75 75 VAL HB H 1 1.392 0.008 . . . . . . A 75 VAL HB . 30807 1
766 . 1 . 1 75 75 VAL HG11 H 1 0.716 0.014 . . . . . . A 75 VAL HG11 . 30807 1
767 . 1 . 1 75 75 VAL HG12 H 1 0.716 0.014 . . . . . . A 75 VAL HG12 . 30807 1
768 . 1 . 1 75 75 VAL HG13 H 1 0.716 0.014 . . . . . . A 75 VAL HG13 . 30807 1
769 . 1 . 1 75 75 VAL HG21 H 1 0.655 0.014 . . . . . . A 75 VAL HG21 . 30807 1
770 . 1 . 1 75 75 VAL HG22 H 1 0.655 0.014 . . . . . . A 75 VAL HG22 . 30807 1
771 . 1 . 1 75 75 VAL HG23 H 1 0.655 0.014 . . . . . . A 75 VAL HG23 . 30807 1
772 . 1 . 1 75 75 VAL C C 13 174.765 0.000 . . . . . . A 75 VAL C . 30807 1
773 . 1 . 1 75 75 VAL CA C 13 61.302 0.101 . . . . . . A 75 VAL CA . 30807 1
774 . 1 . 1 75 75 VAL CB C 13 33.567 0.015 . . . . . . A 75 VAL CB . 30807 1
775 . 1 . 1 75 75 VAL CG1 C 13 20.907 0.024 . . . . . . A 75 VAL CG1 . 30807 1
776 . 1 . 1 75 75 VAL N N 15 120.225 0.021 . . . . . . A 75 VAL N . 30807 1
777 . 1 . 1 76 76 GLY H H 1 8.455 0.002 . . . . . . A 76 GLY H . 30807 1
778 . 1 . 1 76 76 GLY HA2 H 1 3.468 0.002 . . . . . . A 76 GLY HA2 . 30807 1
779 . 1 . 1 76 76 GLY HA3 H 1 3.837 0.007 . . . . . . A 76 GLY HA3 . 30807 1
780 . 1 . 1 76 76 GLY C C 13 173.032 0.000 . . . . . . A 76 GLY C . 30807 1
781 . 1 . 1 76 76 GLY CA C 13 44.544 0.020 . . . . . . A 76 GLY CA . 30807 1
782 . 1 . 1 76 76 GLY N N 15 112.542 0.015 . . . . . . A 76 GLY N . 30807 1
783 . 1 . 1 77 77 TYR H H 1 8.783 0.003 . . . . . . A 77 TYR H . 30807 1
784 . 1 . 1 77 77 TYR HA H 1 5.185 0.008 . . . . . . A 77 TYR HA . 30807 1
785 . 1 . 1 77 77 TYR HB2 H 1 3.538 0.002 . . . . . . A 77 TYR HB2 . 30807 1
786 . 1 . 1 77 77 TYR HB3 H 1 2.266 0.002 . . . . . . A 77 TYR HB3 . 30807 1
787 . 1 . 1 77 77 TYR HD1 H 1 6.969 0.000 . . . . . . A 77 TYR HD1 . 30807 1
788 . 1 . 1 77 77 TYR HD2 H 1 6.969 0.000 . . . . . . A 77 TYR HD2 . 30807 1
789 . 1 . 1 77 77 TYR HE1 H 1 6.872 0.002 . . . . . . A 77 TYR HE1 . 30807 1
790 . 1 . 1 77 77 TYR HE2 H 1 6.872 0.002 . . . . . . A 77 TYR HE2 . 30807 1
791 . 1 . 1 77 77 TYR CA C 13 56.642 0.099 . . . . . . A 77 TYR CA . 30807 1
792 . 1 . 1 77 77 TYR CB C 13 38.923 0.013 . . . . . . A 77 TYR CB . 30807 1
793 . 1 . 1 77 77 TYR N N 15 120.889 0.015 . . . . . . A 77 TYR N . 30807 1
794 . 1 . 1 78 78 PRO HA H 1 5.091 0.008 . . . . . . A 78 PRO HA . 30807 1
795 . 1 . 1 78 78 PRO HB2 H 1 1.767 0.004 . . . . . . A 78 PRO HB2 . 30807 1
796 . 1 . 1 78 78 PRO HB3 H 1 2.056 0.005 . . . . . . A 78 PRO HB3 . 30807 1
797 . 1 . 1 78 78 PRO HG2 H 1 2.204 0.000 . . . . . . A 78 PRO HG2 . 30807 1
798 . 1 . 1 78 78 PRO HG3 H 1 2.118 0.000 . . . . . . A 78 PRO HG3 . 30807 1
799 . 1 . 1 78 78 PRO HD2 H 1 4.196 0.002 . . . . . . A 78 PRO HD2 . 30807 1
800 . 1 . 1 78 78 PRO HD3 H 1 3.938 0.001 . . . . . . A 78 PRO HD3 . 30807 1
801 . 1 . 1 78 78 PRO C C 13 174.972 0.000 . . . . . . A 78 PRO C . 30807 1
802 . 1 . 1 78 78 PRO CA C 13 63.744 0.099 . . . . . . A 78 PRO CA . 30807 1
803 . 1 . 1 78 78 PRO CB C 13 32.592 0.015 . . . . . . A 78 PRO CB . 30807 1
804 . 1 . 1 78 78 PRO CG C 13 28.146 0.006 . . . . . . A 78 PRO CG . 30807 1
805 . 1 . 1 78 78 PRO CD C 13 50.865 0.083 . . . . . . A 78 PRO CD . 30807 1
806 . 1 . 1 79 79 PHE H H 1 8.671 0.004 . . . . . . A 79 PHE H . 30807 1
807 . 1 . 1 79 79 PHE HA H 1 5.131 0.006 . . . . . . A 79 PHE HA . 30807 1
808 . 1 . 1 79 79 PHE HB2 H 1 3.122 0.009 . . . . . . A 79 PHE HB2 . 30807 1
809 . 1 . 1 79 79 PHE HB3 H 1 2.704 0.006 . . . . . . A 79 PHE HB3 . 30807 1
810 . 1 . 1 79 79 PHE HD1 H 1 6.973 0.007 . . . . . . A 79 PHE HD1 . 30807 1
811 . 1 . 1 79 79 PHE HD2 H 1 6.973 0.007 . . . . . . A 79 PHE HD2 . 30807 1
812 . 1 . 1 79 79 PHE C C 13 172.187 0.000 . . . . . . A 79 PHE C . 30807 1
813 . 1 . 1 79 79 PHE CA C 13 54.705 0.098 . . . . . . A 79 PHE CA . 30807 1
814 . 1 . 1 79 79 PHE CB C 13 42.773 0.019 . . . . . . A 79 PHE CB . 30807 1
815 . 1 . 1 79 79 PHE N N 15 116.076 0.023 . . . . . . A 79 PHE N . 30807 1
816 . 1 . 1 80 80 HIS H H 1 8.842 0.010 . . . . . . A 80 HIS H . 30807 1
817 . 1 . 1 80 80 HIS HA H 1 5.261 0.007 . . . . . . A 80 HIS HA . 30807 1
818 . 1 . 1 80 80 HIS HB2 H 1 3.244 0.004 . . . . . . A 80 HIS HB2 . 30807 1
819 . 1 . 1 80 80 HIS HB3 H 1 3.034 0.004 . . . . . . A 80 HIS HB3 . 30807 1
820 . 1 . 1 80 80 HIS HD1 H 1 6.858 0.004 . . . . . . A 80 HIS HD1 . 30807 1
821 . 1 . 1 80 80 HIS C C 13 174.048 0.000 . . . . . . A 80 HIS C . 30807 1
822 . 1 . 1 80 80 HIS CA C 13 57.180 0.115 . . . . . . A 80 HIS CA . 30807 1
823 . 1 . 1 80 80 HIS CB C 13 35.071 0.028 . . . . . . A 80 HIS CB . 30807 1
824 . 1 . 1 80 80 HIS N N 15 122.407 0.013 . . . . . . A 80 HIS N . 30807 1
825 . 1 . 1 81 81 VAL H H 1 8.297 0.005 . . . . . . A 81 VAL H . 30807 1
826 . 1 . 1 81 81 VAL HA H 1 4.533 0.003 . . . . . . A 81 VAL HA . 30807 1
827 . 1 . 1 81 81 VAL HB H 1 1.924 0.006 . . . . . . A 81 VAL HB . 30807 1
828 . 1 . 1 81 81 VAL HG11 H 1 0.725 0.006 . . . . . . A 81 VAL HG11 . 30807 1
829 . 1 . 1 81 81 VAL HG12 H 1 0.725 0.006 . . . . . . A 81 VAL HG12 . 30807 1
830 . 1 . 1 81 81 VAL HG13 H 1 0.725 0.006 . . . . . . A 81 VAL HG13 . 30807 1
831 . 1 . 1 81 81 VAL HG21 H 1 0.557 0.005 . . . . . . A 81 VAL HG21 . 30807 1
832 . 1 . 1 81 81 VAL HG22 H 1 0.557 0.005 . . . . . . A 81 VAL HG22 . 30807 1
833 . 1 . 1 81 81 VAL HG23 H 1 0.557 0.005 . . . . . . A 81 VAL HG23 . 30807 1
834 . 1 . 1 81 81 VAL C C 13 173.640 0.000 . . . . . . A 81 VAL C . 30807 1
835 . 1 . 1 81 81 VAL CA C 13 61.416 0.089 . . . . . . A 81 VAL CA . 30807 1
836 . 1 . 1 81 81 VAL CB C 13 34.219 0.010 . . . . . . A 81 VAL CB . 30807 1
837 . 1 . 1 81 81 VAL CG1 C 13 21.946 0.014 . . . . . . A 81 VAL CG1 . 30807 1
838 . 1 . 1 81 81 VAL N N 15 125.665 0.021 . . . . . . A 81 VAL N . 30807 1
839 . 1 . 1 82 82 MET H H 1 8.416 0.005 . . . . . . A 82 MET H . 30807 1
840 . 1 . 1 82 82 MET HA H 1 4.896 0.005 . . . . . . A 82 MET HA . 30807 1
841 . 1 . 1 82 82 MET HB2 H 1 2.152 0.015 . . . . . . A 82 MET HB2 . 30807 1
842 . 1 . 1 82 82 MET HB3 H 1 2.127 0.008 . . . . . . A 82 MET HB3 . 30807 1
843 . 1 . 1 82 82 MET HG2 H 1 2.692 0.006 . . . . . . A 82 MET HG2 . 30807 1
844 . 1 . 1 82 82 MET HG3 H 1 2.387 0.002 . . . . . . A 82 MET HG3 . 30807 1
845 . 1 . 1 82 82 MET HE1 H 1 2.383 0.003 . . . . . . A 82 MET HE1 . 30807 1
846 . 1 . 1 82 82 MET HE2 H 1 2.383 0.003 . . . . . . A 82 MET HE2 . 30807 1
847 . 1 . 1 82 82 MET HE3 H 1 2.383 0.003 . . . . . . A 82 MET HE3 . 30807 1
848 . 1 . 1 82 82 MET C C 13 174.199 0.000 . . . . . . A 82 MET C . 30807 1
849 . 1 . 1 82 82 MET CA C 13 54.173 0.091 . . . . . . A 82 MET CA . 30807 1
850 . 1 . 1 82 82 MET CB C 13 37.478 0.012 . . . . . . A 82 MET CB . 30807 1
851 . 1 . 1 82 82 MET CG C 13 30.732 0.018 . . . . . . A 82 MET CG . 30807 1
852 . 1 . 1 82 82 MET N N 15 122.064 0.025 . . . . . . A 82 MET N . 30807 1
853 . 1 . 1 83 83 GLU H H 1 9.388 0.002 . . . . . . A 83 GLU H . 30807 1
854 . 1 . 1 83 83 GLU HA H 1 3.818 0.010 . . . . . . A 83 GLU HA . 30807 1
855 . 1 . 1 83 83 GLU HB2 H 1 1.943 0.003 . . . . . . A 83 GLU HB2 . 30807 1
856 . 1 . 1 83 83 GLU HB3 H 1 1.943 0.003 . . . . . . A 83 GLU HB3 . 30807 1
857 . 1 . 1 83 83 GLU HG2 H 1 1.945 0.001 . . . . . . A 83 GLU HG2 . 30807 1
858 . 1 . 1 83 83 GLU HG3 H 1 1.665 0.004 . . . . . . A 83 GLU HG3 . 30807 1
859 . 1 . 1 83 83 GLU C C 13 175.559 0.000 . . . . . . A 83 GLU C . 30807 1
860 . 1 . 1 83 83 GLU CA C 13 57.571 0.114 . . . . . . A 83 GLU CA . 30807 1
861 . 1 . 1 83 83 GLU CB C 13 30.660 0.000 . . . . . . A 83 GLU CB . 30807 1
862 . 1 . 1 83 83 GLU CG C 13 36.443 0.017 . . . . . . A 83 GLU CG . 30807 1
863 . 1 . 1 83 83 GLU N N 15 127.170 0.022 . . . . . . A 83 GLU N . 30807 1
864 . 1 . 1 84 84 LEU H H 1 8.498 0.003 . . . . . . A 84 LEU H . 30807 1
865 . 1 . 1 84 84 LEU HA H 1 4.361 0.006 . . . . . . A 84 LEU HA . 30807 1
866 . 1 . 1 84 84 LEU HB2 H 1 1.404 0.006 . . . . . . A 84 LEU HB2 . 30807 1
867 . 1 . 1 84 84 LEU HB3 H 1 1.275 0.005 . . . . . . A 84 LEU HB3 . 30807 1
868 . 1 . 1 84 84 LEU HG H 1 1.430 0.000 . . . . . . A 84 LEU HG . 30807 1
869 . 1 . 1 84 84 LEU HD11 H 1 0.776 0.008 . . . . . . A 84 LEU HD11 . 30807 1
870 . 1 . 1 84 84 LEU HD12 H 1 0.776 0.008 . . . . . . A 84 LEU HD12 . 30807 1
871 . 1 . 1 84 84 LEU HD13 H 1 0.776 0.008 . . . . . . A 84 LEU HD13 . 30807 1
872 . 1 . 1 84 84 LEU CA C 13 54.814 0.086 . . . . . . A 84 LEU CA . 30807 1
873 . 1 . 1 84 84 LEU CB C 13 42.722 0.024 . . . . . . A 84 LEU CB . 30807 1
874 . 1 . 1 84 84 LEU CG C 13 26.693 0.007 . . . . . . A 84 LEU CG . 30807 1
875 . 1 . 1 84 84 LEU CD1 C 13 24.888 0.015 . . . . . . A 84 LEU CD1 . 30807 1
876 . 1 . 1 84 84 LEU N N 15 127.853 0.017 . . . . . . A 84 LEU N . 30807 1
877 . 1 . 1 85 85 GLU H H 1 8.380 0.002 . . . . . . A 85 GLU H . 30807 1
878 . 1 . 1 85 85 GLU HA H 1 4.197 0.008 . . . . . . A 85 GLU HA . 30807 1
879 . 1 . 1 85 85 GLU HB2 H 1 2.169 0.000 . . . . . . A 85 GLU HB2 . 30807 1
880 . 1 . 1 85 85 GLU HB3 H 1 2.085 0.000 . . . . . . A 85 GLU HB3 . 30807 1
881 . 1 . 1 85 85 GLU HG2 H 1 2.170 0.000 . . . . . . A 85 GLU HG2 . 30807 1
882 . 1 . 1 85 85 GLU HG3 H 1 2.089 0.000 . . . . . . A 85 GLU HG3 . 30807 1
883 . 1 . 1 85 85 GLU C C 13 175.858 0.000 . . . . . . A 85 GLU C . 30807 1
884 . 1 . 1 85 85 GLU CA C 13 56.448 0.000 . . . . . . A 85 GLU CA . 30807 1
885 . 1 . 1 85 85 GLU CB C 13 30.843 0.000 . . . . . . A 85 GLU CB . 30807 1
886 . 1 . 1 85 85 GLU CG C 13 36.294 0.022 . . . . . . A 85 GLU CG . 30807 1
887 . 1 . 1 85 85 GLU N N 15 122.511 0.013 . . . . . . A 85 GLU N . 30807 1
888 . 1 . 1 86 86 HIS H H 1 8.446 0.001 . . . . . . A 86 HIS H . 30807 1
889 . 1 . 1 86 86 HIS HA H 1 4.666 0.091 . . . . . . A 86 HIS HA . 30807 1
890 . 1 . 1 86 86 HIS HB2 H 1 3.057 0.000 . . . . . . A 86 HIS HB2 . 30807 1
891 . 1 . 1 86 86 HIS HB3 H 1 3.057 0.000 . . . . . . A 86 HIS HB3 . 30807 1
892 . 1 . 1 86 86 HIS C C 13 174.032 0.000 . . . . . . A 86 HIS C . 30807 1
893 . 1 . 1 86 86 HIS CA C 13 56.036 0.000 . . . . . . A 86 HIS CA . 30807 1
894 . 1 . 1 86 86 HIS CB C 13 30.338 0.000 . . . . . . A 86 HIS CB . 30807 1
895 . 1 . 1 86 86 HIS N N 15 120.713 0.037 . . . . . . A 86 HIS N . 30807 1
896 . 1 . 1 87 87 HIS H H 1 8.040 0.013 . . . . . . A 87 HIS H . 30807 1
897 . 1 . 1 87 87 HIS N N 15 125.520 0.019 . . . . . . A 87 HIS N . 30807 1
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