###################################
# 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 17720
_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' . . . 17720 1
2 '3D HNCO' . . . 17720 1
3 '3D HNCA' . . . 17720 1
4 '3D HNCACB' . . . 17720 1
5 '3D HBHA(CO)NH' . . . 17720 1
7 '3D HCCH-TOCSY' . . . 17720 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 MET HE1 H 1 1.818 0.020 . 1 . . . A 1 MET HE1 . 17720 1
2 . 1 1 1 1 MET HE2 H 1 1.818 0.020 . 1 . . . A 1 MET HE2 . 17720 1
3 . 1 1 1 1 MET HE3 H 1 1.818 0.020 . 1 . . . A 1 MET HE3 . 17720 1
4 . 1 1 1 1 MET C C 13 171.800 0.400 . 1 . . . A 1 MET C . 17720 1
5 . 1 1 1 1 MET CE C 13 16.794 0.400 . 1 . . . A 1 MET CE . 17720 1
6 . 1 1 2 2 LEU H H 1 8.945 0.020 . 1 . . . A 2 LEU H . 17720 1
7 . 1 1 2 2 LEU HA H 1 4.802 0.020 . 1 . . . A 2 LEU HA . 17720 1
8 . 1 1 2 2 LEU HB2 H 1 1.598 0.020 . 2 . . . A 2 LEU HB2 . 17720 1
9 . 1 1 2 2 LEU HB3 H 1 1.554 0.020 . 2 . . . A 2 LEU HB3 . 17720 1
10 . 1 1 2 2 LEU HG H 1 1.467 0.020 . 1 . . . A 2 LEU HG . 17720 1
11 . 1 1 2 2 LEU HD11 H 1 0.842 0.020 . 2 . . . A 2 LEU HD11 . 17720 1
12 . 1 1 2 2 LEU HD12 H 1 0.842 0.020 . 2 . . . A 2 LEU HD12 . 17720 1
13 . 1 1 2 2 LEU HD13 H 1 0.842 0.020 . 2 . . . A 2 LEU HD13 . 17720 1
14 . 1 1 2 2 LEU C C 13 173.972 0.400 . 1 . . . A 2 LEU C . 17720 1
15 . 1 1 2 2 LEU CA C 13 53.764 0.400 . 1 . . . A 2 LEU CA . 17720 1
16 . 1 1 2 2 LEU CB C 13 46.507 0.400 . 1 . . . A 2 LEU CB . 17720 1
17 . 1 1 2 2 LEU CG C 13 26.832 0.400 . 1 . . . A 2 LEU CG . 17720 1
18 . 1 1 2 2 LEU CD1 C 13 25.189 0.400 . 1 . . . A 2 LEU CD1 . 17720 1
19 . 1 1 2 2 LEU N N 15 123.912 0.400 . 1 . . . A 2 LEU N . 17720 1
20 . 1 1 3 3 MET H H 1 8.599 0.020 . 1 . . . A 3 MET H . 17720 1
21 . 1 1 3 3 MET HA H 1 3.351 0.020 . 1 . . . A 3 MET HA . 17720 1
22 . 1 1 3 3 MET HB2 H 1 1.385 0.020 . 2 . . . A 3 MET HB2 . 17720 1
23 . 1 1 3 3 MET HB3 H 1 -0.162 0.020 . 2 . . . A 3 MET HB3 . 17720 1
24 . 1 1 3 3 MET HG2 H 1 1.280 0.020 . 2 . . . A 3 MET HG2 . 17720 1
25 . 1 1 3 3 MET HG3 H 1 1.190 0.020 . 2 . . . A 3 MET HG3 . 17720 1
26 . 1 1 3 3 MET HE1 H 1 1.676 0.020 . 1 . . . A 3 MET HE1 . 17720 1
27 . 1 1 3 3 MET HE2 H 1 1.676 0.020 . 1 . . . A 3 MET HE2 . 17720 1
28 . 1 1 3 3 MET HE3 H 1 1.676 0.020 . 1 . . . A 3 MET HE3 . 17720 1
29 . 1 1 3 3 MET C C 13 175.638 0.400 . 1 . . . A 3 MET C . 17720 1
30 . 1 1 3 3 MET CA C 13 55.693 0.400 . 1 . . . A 3 MET CA . 17720 1
31 . 1 1 3 3 MET CB C 13 31.123 0.400 . 1 . . . A 3 MET CB . 17720 1
32 . 1 1 3 3 MET CG C 13 32.284 0.400 . 1 . . . A 3 MET CG . 17720 1
33 . 1 1 3 3 MET CE C 13 17.226 0.400 . 1 . . . A 3 MET CE . 17720 1
34 . 1 1 3 3 MET N N 15 128.661 0.400 . 1 . . . A 3 MET N . 17720 1
35 . 1 1 4 4 ILE H H 1 8.829 0.020 . 1 . . . A 4 ILE H . 17720 1
36 . 1 1 4 4 ILE HA H 1 3.935 0.020 . 1 . . . A 4 ILE HA . 17720 1
37 . 1 1 4 4 ILE HB H 1 1.753 0.020 . 1 . . . A 4 ILE HB . 17720 1
38 . 1 1 4 4 ILE HG12 H 1 1.617 0.020 . 2 . . . A 4 ILE HG12 . 17720 1
39 . 1 1 4 4 ILE HG13 H 1 1.240 0.020 . 2 . . . A 4 ILE HG13 . 17720 1
40 . 1 1 4 4 ILE HG21 H 1 0.785 0.020 . 1 . . . A 4 ILE HG21 . 17720 1
41 . 1 1 4 4 ILE HG22 H 1 0.785 0.020 . 1 . . . A 4 ILE HG22 . 17720 1
42 . 1 1 4 4 ILE HG23 H 1 0.785 0.020 . 1 . . . A 4 ILE HG23 . 17720 1
43 . 1 1 4 4 ILE HD11 H 1 0.713 0.020 . 1 . . . A 4 ILE HD11 . 17720 1
44 . 1 1 4 4 ILE HD12 H 1 0.713 0.020 . 1 . . . A 4 ILE HD12 . 17720 1
45 . 1 1 4 4 ILE HD13 H 1 0.713 0.020 . 1 . . . A 4 ILE HD13 . 17720 1
46 . 1 1 4 4 ILE C C 13 174.936 0.400 . 1 . . . A 4 ILE C . 17720 1
47 . 1 1 4 4 ILE CA C 13 59.897 0.400 . 1 . . . A 4 ILE CA . 17720 1
48 . 1 1 4 4 ILE CB C 13 37.916 0.400 . 1 . . . A 4 ILE CB . 17720 1
49 . 1 1 4 4 ILE CG1 C 13 27.175 0.400 . 1 . . . A 4 ILE CG1 . 17720 1
50 . 1 1 4 4 ILE CG2 C 13 16.992 0.400 . 1 . . . A 4 ILE CG2 . 17720 1
51 . 1 1 4 4 ILE CD1 C 13 9.359 0.400 . 1 . . . A 4 ILE CD1 . 17720 1
52 . 1 1 4 4 ILE N N 15 127.704 0.400 . 1 . . . A 4 ILE N . 17720 1
53 . 1 1 5 5 THR H H 1 7.251 0.020 . 1 . . . A 5 THR H . 17720 1
54 . 1 1 5 5 THR HA H 1 4.233 0.020 . 1 . . . A 5 THR HA . 17720 1
55 . 1 1 5 5 THR HB H 1 3.981 0.020 . 1 . . . A 5 THR HB . 17720 1
56 . 1 1 5 5 THR HG21 H 1 0.377 0.020 . 1 . . . A 5 THR HG21 . 17720 1
57 . 1 1 5 5 THR HG22 H 1 0.377 0.020 . 1 . . . A 5 THR HG22 . 17720 1
58 . 1 1 5 5 THR HG23 H 1 0.377 0.020 . 1 . . . A 5 THR HG23 . 17720 1
59 . 1 1 5 5 THR C C 13 170.257 0.400 . 1 . . . A 5 THR C . 17720 1
60 . 1 1 5 5 THR CA C 13 60.257 0.400 . 1 . . . A 5 THR CA . 17720 1
61 . 1 1 5 5 THR CB C 13 66.389 0.400 . 1 . . . A 5 THR CB . 17720 1
62 . 1 1 5 5 THR CG2 C 13 18.563 0.400 . 1 . . . A 5 THR CG2 . 17720 1
63 . 1 1 5 5 THR N N 15 109.936 0.400 . 1 . . . A 5 THR N . 17720 1
64 . 1 1 6 6 SER H H 1 7.683 0.020 . 1 . . . A 6 SER H . 17720 1
65 . 1 1 6 6 SER HA H 1 5.338 0.020 . 1 . . . A 6 SER HA . 17720 1
66 . 1 1 6 6 SER HB2 H 1 3.530 0.020 . 2 . . . A 6 SER HB2 . 17720 1
67 . 1 1 6 6 SER HB3 H 1 3.406 0.020 . 2 . . . A 6 SER HB3 . 17720 1
68 . 1 1 6 6 SER C C 13 173.156 0.400 . 1 . . . A 6 SER C . 17720 1
69 . 1 1 6 6 SER CA C 13 56.818 0.400 . 1 . . . A 6 SER CA . 17720 1
70 . 1 1 6 6 SER CB C 13 64.943 0.400 . 1 . . . A 6 SER CB . 17720 1
71 . 1 1 6 6 SER N N 15 116.195 0.400 . 1 . . . A 6 SER N . 17720 1
72 . 1 1 7 7 PHE H H 1 8.912 0.020 . 1 . . . A 7 PHE H . 17720 1
73 . 1 1 7 7 PHE HA H 1 4.847 0.020 . 1 . . . A 7 PHE HA . 17720 1
74 . 1 1 7 7 PHE HB2 H 1 3.312 0.020 . 2 . . . A 7 PHE HB2 . 17720 1
75 . 1 1 7 7 PHE HB3 H 1 2.690 0.020 . 2 . . . A 7 PHE HB3 . 17720 1
76 . 1 1 7 7 PHE HD2 H 1 7.288 0.020 . 1 . . . A 7 PHE HD2 . 17720 1
77 . 1 1 7 7 PHE HE2 H 1 7.319 0.020 . 1 . . . A 7 PHE HE2 . 17720 1
78 . 1 1 7 7 PHE C C 13 175.395 0.400 . 1 . . . A 7 PHE C . 17720 1
79 . 1 1 7 7 PHE CA C 13 56.679 0.400 . 1 . . . A 7 PHE CA . 17720 1
80 . 1 1 7 7 PHE CB C 13 43.085 0.400 . 1 . . . A 7 PHE CB . 17720 1
81 . 1 1 7 7 PHE CD2 C 13 132.127 0.400 . 1 . . . A 7 PHE CD2 . 17720 1
82 . 1 1 7 7 PHE CE2 C 13 130.005 0.400 . 1 . . . A 7 PHE CE2 . 17720 1
83 . 1 1 7 7 PHE N N 15 121.991 0.400 . 1 . . . A 7 PHE N . 17720 1
84 . 1 1 8 8 ALA H H 1 8.974 0.020 . 1 . . . A 8 ALA H . 17720 1
85 . 1 1 8 8 ALA HA H 1 4.242 0.020 . 1 . . . A 8 ALA HA . 17720 1
86 . 1 1 8 8 ALA HB1 H 1 1.507 0.020 . 1 . . . A 8 ALA HB1 . 17720 1
87 . 1 1 8 8 ALA HB2 H 1 1.507 0.020 . 1 . . . A 8 ALA HB2 . 17720 1
88 . 1 1 8 8 ALA HB3 H 1 1.507 0.020 . 1 . . . A 8 ALA HB3 . 17720 1
89 . 1 1 8 8 ALA C C 13 177.901 0.400 . 1 . . . A 8 ALA C . 17720 1
90 . 1 1 8 8 ALA CA C 13 54.214 0.400 . 1 . . . A 8 ALA CA . 17720 1
91 . 1 1 8 8 ALA CB C 13 18.832 0.400 . 1 . . . A 8 ALA CB . 17720 1
92 . 1 1 8 8 ALA N N 15 124.623 0.400 . 1 . . . A 8 ALA N . 17720 1
93 . 1 1 9 9 ASN H H 1 8.294 0.020 . 1 . . . A 9 ASN H . 17720 1
94 . 1 1 9 9 ASN HA H 1 5.241 0.020 . 1 . . . A 9 ASN HA . 17720 1
95 . 1 1 9 9 ASN HB2 H 1 3.141 0.020 . 2 . . . A 9 ASN HB2 . 17720 1
96 . 1 1 9 9 ASN HB3 H 1 2.860 0.020 . 2 . . . A 9 ASN HB3 . 17720 1
97 . 1 1 9 9 ASN HD21 H 1 7.173 0.020 . 2 . . . A 9 ASN HD21 . 17720 1
98 . 1 1 9 9 ASN HD22 H 1 7.939 0.020 . 2 . . . A 9 ASN HD22 . 17720 1
99 . 1 1 9 9 ASN CA C 13 49.749 0.400 . 1 . . . A 9 ASN CA . 17720 1
100 . 1 1 9 9 ASN CB C 13 39.755 0.400 . 1 . . . A 9 ASN CB . 17720 1
101 . 1 1 9 9 ASN N N 15 116.371 0.400 . 1 . . . A 9 ASN N . 17720 1
102 . 1 1 9 9 ASN ND2 N 15 114.404 0.400 . 1 . . . A 9 ASN ND2 . 17720 1
103 . 1 1 10 10 PRO HA H 1 4.449 0.020 . 1 . . . A 10 PRO HA . 17720 1
104 . 1 1 10 10 PRO HB2 H 1 1.993 0.020 . 2 . . . A 10 PRO HB2 . 17720 1
105 . 1 1 10 10 PRO HB3 H 1 2.333 0.020 . 2 . . . A 10 PRO HB3 . 17720 1
106 . 1 1 10 10 PRO HG2 H 1 2.061 0.020 . 2 . . . A 10 PRO HG2 . 17720 1
107 . 1 1 10 10 PRO HD2 H 1 4.120 0.020 . 2 . . . A 10 PRO HD2 . 17720 1
108 . 1 1 10 10 PRO HD3 H 1 3.990 0.020 . 2 . . . A 10 PRO HD3 . 17720 1
109 . 1 1 10 10 PRO C C 13 179.214 0.400 . 1 . . . A 10 PRO C . 17720 1
110 . 1 1 10 10 PRO CA C 13 64.601 0.400 . 1 . . . A 10 PRO CA . 17720 1
111 . 1 1 10 10 PRO CB C 13 32.426 0.400 . 1 . . . A 10 PRO CB . 17720 1
112 . 1 1 10 10 PRO CG C 13 27.017 0.400 . 1 . . . A 10 PRO CG . 17720 1
113 . 1 1 10 10 PRO CD C 13 51.410 0.400 . 1 . . . A 10 PRO CD . 17720 1
114 . 1 1 11 11 ARG H H 1 8.115 0.020 . 1 . . . A 11 ARG H . 17720 1
115 . 1 1 11 11 ARG HA H 1 4.095 0.020 . 1 . . . A 11 ARG HA . 17720 1
116 . 1 1 11 11 ARG HB2 H 1 1.897 0.020 . 2 . . . A 11 ARG HB2 . 17720 1
117 . 1 1 11 11 ARG HG2 H 1 1.750 0.020 . 2 . . . A 11 ARG HG2 . 17720 1
118 . 1 1 11 11 ARG HG3 H 1 1.670 0.020 . 2 . . . A 11 ARG HG3 . 17720 1
119 . 1 1 11 11 ARG HD2 H 1 3.240 0.020 . 2 . . . A 11 ARG HD2 . 17720 1
120 . 1 1 11 11 ARG C C 13 179.686 0.400 . 1 . . . A 11 ARG C . 17720 1
121 . 1 1 11 11 ARG CA C 13 58.842 0.400 . 1 . . . A 11 ARG CA . 17720 1
122 . 1 1 11 11 ARG CB C 13 29.795 0.400 . 1 . . . A 11 ARG CB . 17720 1
123 . 1 1 11 11 ARG CG C 13 27.461 0.400 . 1 . . . A 11 ARG CG . 17720 1
124 . 1 1 11 11 ARG CD C 13 42.915 0.400 . 1 . . . A 11 ARG CD . 17720 1
125 . 1 1 11 11 ARG N N 15 118.394 0.400 . 1 . . . A 11 ARG N . 17720 1
126 . 1 1 12 12 VAL H H 1 7.296 0.020 . 1 . . . A 12 VAL H . 17720 1
127 . 1 1 12 12 VAL HA H 1 3.634 0.020 . 1 . . . A 12 VAL HA . 17720 1
128 . 1 1 12 12 VAL HB H 1 2.042 0.020 . 1 . . . A 12 VAL HB . 17720 1
129 . 1 1 12 12 VAL HG11 H 1 0.852 0.020 . 2 . . . A 12 VAL HG11 . 17720 1
130 . 1 1 12 12 VAL HG12 H 1 0.852 0.020 . 2 . . . A 12 VAL HG12 . 17720 1
131 . 1 1 12 12 VAL HG13 H 1 0.852 0.020 . 2 . . . A 12 VAL HG13 . 17720 1
132 . 1 1 12 12 VAL HG21 H 1 0.980 0.020 . 2 . . . A 12 VAL HG21 . 17720 1
133 . 1 1 12 12 VAL HG22 H 1 0.980 0.020 . 2 . . . A 12 VAL HG22 . 17720 1
134 . 1 1 12 12 VAL HG23 H 1 0.980 0.020 . 2 . . . A 12 VAL HG23 . 17720 1
135 . 1 1 12 12 VAL C C 13 176.892 0.400 . 1 . . . A 12 VAL C . 17720 1
136 . 1 1 12 12 VAL CA C 13 65.670 0.400 . 1 . . . A 12 VAL CA . 17720 1
137 . 1 1 12 12 VAL CB C 13 31.764 0.400 . 1 . . . A 12 VAL CB . 17720 1
138 . 1 1 12 12 VAL CG1 C 13 21.935 0.400 . 1 . . . A 12 VAL CG1 . 17720 1
139 . 1 1 12 12 VAL CG2 C 13 22.387 0.400 . 1 . . . A 12 VAL CG2 . 17720 1
140 . 1 1 12 12 VAL N N 15 122.322 0.400 . 1 . . . A 12 VAL N . 17720 1
141 . 1 1 13 13 ALA H H 1 6.905 0.020 . 1 . . . A 13 ALA H . 17720 1
142 . 1 1 13 13 ALA HA H 1 3.067 0.020 . 1 . . . A 13 ALA HA . 17720 1
143 . 1 1 13 13 ALA HB1 H 1 1.352 0.020 . 1 . . . A 13 ALA HB1 . 17720 1
144 . 1 1 13 13 ALA HB2 H 1 1.352 0.020 . 1 . . . A 13 ALA HB2 . 17720 1
145 . 1 1 13 13 ALA HB3 H 1 1.352 0.020 . 1 . . . A 13 ALA HB3 . 17720 1
146 . 1 1 13 13 ALA C C 13 178.672 0.400 . 1 . . . A 13 ALA C . 17720 1
147 . 1 1 13 13 ALA CA C 13 54.837 0.400 . 1 . . . A 13 ALA CA . 17720 1
148 . 1 1 13 13 ALA CB C 13 18.710 0.400 . 1 . . . A 13 ALA CB . 17720 1
149 . 1 1 13 13 ALA N N 15 119.960 0.400 . 1 . . . A 13 ALA N . 17720 1
150 . 1 1 14 14 GLN H H 1 7.835 0.020 . 1 . . . A 14 GLN H . 17720 1
151 . 1 1 14 14 GLN HA H 1 3.666 0.020 . 1 . . . A 14 GLN HA . 17720 1
152 . 1 1 14 14 GLN HB2 H 1 2.150 0.020 . 2 . . . A 14 GLN HB2 . 17720 1
153 . 1 1 14 14 GLN HB3 H 1 2.069 0.020 . 2 . . . A 14 GLN HB3 . 17720 1
154 . 1 1 14 14 GLN HG2 H 1 2.370 0.020 . 2 . . . A 14 GLN HG2 . 17720 1
155 . 1 1 14 14 GLN HE21 H 1 6.813 0.020 . 2 . . . A 14 GLN HE21 . 17720 1
156 . 1 1 14 14 GLN C C 13 177.053 0.400 . 1 . . . A 14 GLN C . 17720 1
157 . 1 1 14 14 GLN CA C 13 57.818 0.400 . 1 . . . A 14 GLN CA . 17720 1
158 . 1 1 14 14 GLN CB C 13 28.626 0.400 . 1 . . . A 14 GLN CB . 17720 1
159 . 1 1 14 14 GLN CG C 13 33.318 0.400 . 1 . . . A 14 GLN CG . 17720 1
160 . 1 1 14 14 GLN N N 15 115.489 0.400 . 1 . . . A 14 GLN N . 17720 1
161 . 1 1 14 14 GLN NE2 N 15 115.341 0.400 . 1 . . . A 14 GLN NE2 . 17720 1
162 . 1 1 15 15 ALA H H 1 7.771 0.020 . 1 . . . A 15 ALA H . 17720 1
163 . 1 1 15 15 ALA HA H 1 4.277 0.020 . 1 . . . A 15 ALA HA . 17720 1
164 . 1 1 15 15 ALA HB1 H 1 1.708 0.020 . 1 . . . A 15 ALA HB1 . 17720 1
165 . 1 1 15 15 ALA HB2 H 1 1.708 0.020 . 1 . . . A 15 ALA HB2 . 17720 1
166 . 1 1 15 15 ALA HB3 H 1 1.708 0.020 . 1 . . . A 15 ALA HB3 . 17720 1
167 . 1 1 15 15 ALA C C 13 180.781 0.400 . 1 . . . A 15 ALA C . 17720 1
168 . 1 1 15 15 ALA CA C 13 55.126 0.400 . 1 . . . A 15 ALA CA . 17720 1
169 . 1 1 15 15 ALA CB C 13 17.974 0.400 . 1 . . . A 15 ALA CB . 17720 1
170 . 1 1 15 15 ALA N N 15 121.377 0.400 . 1 . . . A 15 ALA N . 17720 1
171 . 1 1 16 16 PHE H H 1 8.127 0.020 . 1 . . . A 16 PHE H . 17720 1
172 . 1 1 16 16 PHE HA H 1 3.614 0.020 . 1 . . . A 16 PHE HA . 17720 1
173 . 1 1 16 16 PHE HB2 H 1 2.566 0.020 . 2 . . . A 16 PHE HB2 . 17720 1
174 . 1 1 16 16 PHE HB3 H 1 2.281 0.020 . 2 . . . A 16 PHE HB3 . 17720 1
175 . 1 1 16 16 PHE HD1 H 1 6.408 0.020 . 1 . . . A 16 PHE HD1 . 17720 1
176 . 1 1 16 16 PHE HE1 H 1 6.438 0.020 . 1 . . . A 16 PHE HE1 . 17720 1
177 . 1 1 16 16 PHE C C 13 176.787 0.400 . 1 . . . A 16 PHE C . 17720 1
178 . 1 1 16 16 PHE CA C 13 61.005 0.400 . 1 . . . A 16 PHE CA . 17720 1
179 . 1 1 16 16 PHE CB C 13 38.700 0.400 . 1 . . . A 16 PHE CB . 17720 1
180 . 1 1 16 16 PHE CD1 C 13 131.364 0.400 . 1 . . . A 16 PHE CD1 . 17720 1
181 . 1 1 16 16 PHE CE1 C 13 128.731 0.400 . 1 . . . A 16 PHE CE1 . 17720 1
182 . 1 1 16 16 PHE N N 15 120.680 0.400 . 1 . . . A 16 PHE N . 17720 1
183 . 1 1 17 17 VAL H H 1 8.170 0.020 . 1 . . . A 17 VAL H . 17720 1
184 . 1 1 17 17 VAL HA H 1 3.194 0.020 . 1 . . . A 17 VAL HA . 17720 1
185 . 1 1 17 17 VAL HB H 1 2.224 0.020 . 1 . . . A 17 VAL HB . 17720 1
186 . 1 1 17 17 VAL HG11 H 1 1.017 0.020 . 2 . . . A 17 VAL HG11 . 17720 1
187 . 1 1 17 17 VAL HG12 H 1 1.017 0.020 . 2 . . . A 17 VAL HG12 . 17720 1
188 . 1 1 17 17 VAL HG13 H 1 1.017 0.020 . 2 . . . A 17 VAL HG13 . 17720 1
189 . 1 1 17 17 VAL HG21 H 1 0.973 0.020 . 2 . . . A 17 VAL HG21 . 17720 1
190 . 1 1 17 17 VAL HG22 H 1 0.973 0.020 . 2 . . . A 17 VAL HG22 . 17720 1
191 . 1 1 17 17 VAL HG23 H 1 0.973 0.020 . 2 . . . A 17 VAL HG23 . 17720 1
192 . 1 1 17 17 VAL C C 13 179.334 0.400 . 1 . . . A 17 VAL C . 17720 1
193 . 1 1 17 17 VAL CA C 13 67.653 0.400 . 1 . . . A 17 VAL CA . 17720 1
194 . 1 1 17 17 VAL CB C 13 31.298 0.400 . 1 . . . A 17 VAL CB . 17720 1
195 . 1 1 17 17 VAL CG1 C 13 23.337 0.400 . 1 . . . A 17 VAL CG1 . 17720 1
196 . 1 1 17 17 VAL CG2 C 13 21.167 0.400 . 1 . . . A 17 VAL CG2 . 17720 1
197 . 1 1 17 17 VAL N N 15 120.806 0.400 . 1 . . . A 17 VAL N . 17720 1
198 . 1 1 18 18 ASP H H 1 9.038 0.020 . 1 . . . A 18 ASP H . 17720 1
199 . 1 1 18 18 ASP HA H 1 4.400 0.020 . 1 . . . A 18 ASP HA . 17720 1
200 . 1 1 18 18 ASP HB2 H 1 2.790 0.020 . 2 . . . A 18 ASP HB2 . 17720 1
201 . 1 1 18 18 ASP HB3 H 1 2.730 0.020 . 2 . . . A 18 ASP HB3 . 17720 1
202 . 1 1 18 18 ASP C C 13 178.888 0.400 . 1 . . . A 18 ASP C . 17720 1
203 . 1 1 18 18 ASP CA C 13 57.487 0.400 . 1 . . . A 18 ASP CA . 17720 1
204 . 1 1 18 18 ASP CB C 13 39.764 0.400 . 1 . . . A 18 ASP CB . 17720 1
205 . 1 1 18 18 ASP N N 15 122.994 0.400 . 1 . . . A 18 ASP N . 17720 1
206 . 1 1 19 19 TYR H H 1 8.148 0.020 . 1 . . . A 19 TYR H . 17720 1
207 . 1 1 19 19 TYR HA H 1 4.358 0.020 . 1 . . . A 19 TYR HA . 17720 1
208 . 1 1 19 19 TYR HB2 H 1 3.364 0.020 . 2 . . . A 19 TYR HB2 . 17720 1
209 . 1 1 19 19 TYR HB3 H 1 2.930 0.020 . 2 . . . A 19 TYR HB3 . 17720 1
210 . 1 1 19 19 TYR HD1 H 1 6.987 0.020 . 1 . . . A 19 TYR HD1 . 17720 1
211 . 1 1 19 19 TYR HE1 H 1 6.972 0.020 . 1 . . . A 19 TYR HE1 . 17720 1
212 . 1 1 19 19 TYR C C 13 179.496 0.400 . 1 . . . A 19 TYR C . 17720 1
213 . 1 1 19 19 TYR CA C 13 60.929 0.400 . 1 . . . A 19 TYR CA . 17720 1
214 . 1 1 19 19 TYR CB C 13 38.058 0.400 . 1 . . . A 19 TYR CB . 17720 1
215 . 1 1 19 19 TYR CD1 C 13 133.028 0.400 . 1 . . . A 19 TYR CD1 . 17720 1
216 . 1 1 19 19 TYR CE1 C 13 118.382 0.400 . 1 . . . A 19 TYR CE1 . 17720 1
217 . 1 1 19 19 TYR N N 15 121.989 0.400 . 1 . . . A 19 TYR N . 17720 1
218 . 1 1 20 20 MET H H 1 8.423 0.020 . 1 . . . A 20 MET H . 17720 1
219 . 1 1 20 20 MET HA H 1 3.990 0.020 . 1 . . . A 20 MET HA . 17720 1
220 . 1 1 20 20 MET HB2 H 1 1.677 0.020 . 2 . . . A 20 MET HB2 . 17720 1
221 . 1 1 20 20 MET HG2 H 1 1.778 0.020 . 2 . . . A 20 MET HG2 . 17720 1
222 . 1 1 20 20 MET HG3 H 1 1.530 0.020 . 2 . . . A 20 MET HG3 . 17720 1
223 . 1 1 20 20 MET HE1 H 1 1.759 0.020 . 1 . . . A 20 MET HE1 . 17720 1
224 . 1 1 20 20 MET HE2 H 1 1.759 0.020 . 1 . . . A 20 MET HE2 . 17720 1
225 . 1 1 20 20 MET HE3 H 1 1.759 0.020 . 1 . . . A 20 MET HE3 . 17720 1
226 . 1 1 20 20 MET CA C 13 55.967 0.400 . 1 . . . A 20 MET CA . 17720 1
227 . 1 1 20 20 MET CB C 13 28.294 0.400 . 1 . . . A 20 MET CB . 17720 1
228 . 1 1 20 20 MET CG C 13 31.888 0.400 . 1 . . . A 20 MET CG . 17720 1
229 . 1 1 20 20 MET CE C 13 15.561 0.400 . 1 . . . A 20 MET CE . 17720 1
230 . 1 1 20 20 MET N N 15 119.360 0.400 . 1 . . . A 20 MET N . 17720 1
231 . 1 1 21 21 ALA H H 1 8.082 0.020 . 1 . . . A 21 ALA H . 17720 1
232 . 1 1 21 21 ALA HA H 1 4.074 0.020 . 1 . . . A 21 ALA HA . 17720 1
233 . 1 1 21 21 ALA HB1 H 1 1.589 0.020 . 1 . . . A 21 ALA HB1 . 17720 1
234 . 1 1 21 21 ALA HB2 H 1 1.589 0.020 . 1 . . . A 21 ALA HB2 . 17720 1
235 . 1 1 21 21 ALA HB3 H 1 1.589 0.020 . 1 . . . A 21 ALA HB3 . 17720 1
236 . 1 1 21 21 ALA C C 13 182.273 0.400 . 1 . . . A 21 ALA C . 17720 1
237 . 1 1 21 21 ALA CA C 13 55.671 0.400 . 1 . . . A 21 ALA CA . 17720 1
238 . 1 1 21 21 ALA CB C 13 17.260 0.400 . 1 . . . A 21 ALA CB . 17720 1
239 . 1 1 21 21 ALA N N 15 124.050 0.400 . 1 . . . A 21 ALA N . 17720 1
240 . 1 1 22 22 THR H H 1 7.567 0.020 . 1 . . . A 22 THR H . 17720 1
241 . 1 1 22 22 THR HA H 1 4.256 0.020 . 1 . . . A 22 THR HA . 17720 1
242 . 1 1 22 22 THR HB H 1 4.332 0.020 . 1 . . . A 22 THR HB . 17720 1
243 . 1 1 22 22 THR HG21 H 1 1.462 0.020 . 1 . . . A 22 THR HG21 . 17720 1
244 . 1 1 22 22 THR HG22 H 1 1.462 0.020 . 1 . . . A 22 THR HG22 . 17720 1
245 . 1 1 22 22 THR HG23 H 1 1.462 0.020 . 1 . . . A 22 THR HG23 . 17720 1
246 . 1 1 22 22 THR C C 13 175.178 0.400 . 1 . . . A 22 THR C . 17720 1
247 . 1 1 22 22 THR CA C 13 64.592 0.400 . 1 . . . A 22 THR CA . 17720 1
248 . 1 1 22 22 THR CB C 13 69.350 0.400 . 1 . . . A 22 THR CB . 17720 1
249 . 1 1 22 22 THR CG2 C 13 21.498 0.400 . 1 . . . A 22 THR CG2 . 17720 1
250 . 1 1 22 22 THR N N 15 111.420 0.400 . 1 . . . A 22 THR N . 17720 1
251 . 1 1 23 23 GLN H H 1 7.201 0.020 . 1 . . . A 23 GLN H . 17720 1
252 . 1 1 23 23 GLN HA H 1 4.330 0.020 . 1 . . . A 23 GLN HA . 17720 1
253 . 1 1 23 23 GLN HB2 H 1 2.298 0.020 . 2 . . . A 23 GLN HB2 . 17720 1
254 . 1 1 23 23 GLN HB3 H 1 1.816 0.020 . 2 . . . A 23 GLN HB3 . 17720 1
255 . 1 1 23 23 GLN HE21 H 1 6.474 0.020 . 2 . . . A 23 GLN HE21 . 17720 1
256 . 1 1 23 23 GLN HE22 H 1 6.805 0.020 . 2 . . . A 23 GLN HE22 . 17720 1
257 . 1 1 23 23 GLN C C 13 175.746 0.400 . 1 . . . A 23 GLN C . 17720 1
258 . 1 1 23 23 GLN CA C 13 53.796 0.400 . 1 . . . A 23 GLN CA . 17720 1
259 . 1 1 23 23 GLN CB C 13 28.869 0.400 . 1 . . . A 23 GLN CB . 17720 1
260 . 1 1 23 23 GLN N N 15 117.955 0.400 . 1 . . . A 23 GLN N . 17720 1
261 . 1 1 23 23 GLN NE2 N 15 113.016 0.400 . 1 . . . A 23 GLN NE2 . 17720 1
262 . 1 1 24 24 GLY H H 1 7.622 0.020 . 1 . . . A 24 GLY H . 17720 1
263 . 1 1 24 24 GLY HA2 H 1 4.142 0.020 . 2 . . . A 24 GLY HA2 . 17720 1
264 . 1 1 24 24 GLY HA3 H 1 3.683 0.020 . 2 . . . A 24 GLY HA3 . 17720 1
265 . 1 1 24 24 GLY C C 13 173.701 0.400 . 1 . . . A 24 GLY C . 17720 1
266 . 1 1 24 24 GLY CA C 13 45.505 0.400 . 1 . . . A 24 GLY CA . 17720 1
267 . 1 1 24 24 GLY N N 15 106.305 0.400 . 1 . . . A 24 GLY N . 17720 1
268 . 1 1 25 25 VAL H H 1 7.640 0.020 . 1 . . . A 25 VAL H . 17720 1
269 . 1 1 25 25 VAL HA H 1 4.265 0.020 . 1 . . . A 25 VAL HA . 17720 1
270 . 1 1 25 25 VAL HB H 1 1.571 0.020 . 1 . . . A 25 VAL HB . 17720 1
271 . 1 1 25 25 VAL HG11 H 1 0.642 0.020 . 2 . . . A 25 VAL HG11 . 17720 1
272 . 1 1 25 25 VAL HG12 H 1 0.642 0.020 . 2 . . . A 25 VAL HG12 . 17720 1
273 . 1 1 25 25 VAL HG13 H 1 0.642 0.020 . 2 . . . A 25 VAL HG13 . 17720 1
274 . 1 1 25 25 VAL C C 13 174.252 0.400 . 1 . . . A 25 VAL C . 17720 1
275 . 1 1 25 25 VAL CA C 13 60.998 0.400 . 1 . . . A 25 VAL CA . 17720 1
276 . 1 1 25 25 VAL CB C 13 33.685 0.400 . 1 . . . A 25 VAL CB . 17720 1
277 . 1 1 25 25 VAL CG1 C 13 20.388 0.400 . 1 . . . A 25 VAL CG1 . 17720 1
278 . 1 1 25 25 VAL N N 15 120.768 0.400 . 1 . . . A 25 VAL N . 17720 1
279 . 1 1 26 26 ILE H H 1 8.974 0.020 . 1 . . . A 26 ILE H . 17720 1
280 . 1 1 26 26 ILE HA H 1 3.904 0.020 . 1 . . . A 26 ILE HA . 17720 1
281 . 1 1 26 26 ILE HB H 1 1.919 0.020 . 1 . . . A 26 ILE HB . 17720 1
282 . 1 1 26 26 ILE HG12 H 1 1.471 0.020 . 2 . . . A 26 ILE HG12 . 17720 1
283 . 1 1 26 26 ILE HG13 H 1 1.316 0.020 . 2 . . . A 26 ILE HG13 . 17720 1
284 . 1 1 26 26 ILE HG21 H 1 0.829 0.020 . 1 . . . A 26 ILE HG21 . 17720 1
285 . 1 1 26 26 ILE HG22 H 1 0.829 0.020 . 1 . . . A 26 ILE HG22 . 17720 1
286 . 1 1 26 26 ILE HG23 H 1 0.829 0.020 . 1 . . . A 26 ILE HG23 . 17720 1
287 . 1 1 26 26 ILE HD11 H 1 0.750 0.020 . 1 . . . A 26 ILE HD11 . 17720 1
288 . 1 1 26 26 ILE HD12 H 1 0.750 0.020 . 1 . . . A 26 ILE HD12 . 17720 1
289 . 1 1 26 26 ILE HD13 H 1 0.750 0.020 . 1 . . . A 26 ILE HD13 . 17720 1
290 . 1 1 26 26 ILE C C 13 175.153 0.400 . 1 . . . A 26 ILE C . 17720 1
291 . 1 1 26 26 ILE CA C 13 60.280 0.400 . 1 . . . A 26 ILE CA . 17720 1
292 . 1 1 26 26 ILE CB C 13 36.904 0.400 . 1 . . . A 26 ILE CB . 17720 1
293 . 1 1 26 26 ILE CG1 C 13 26.805 0.400 . 1 . . . A 26 ILE CG1 . 17720 1
294 . 1 1 26 26 ILE CG2 C 13 17.192 0.400 . 1 . . . A 26 ILE CG2 . 17720 1
295 . 1 1 26 26 ILE CD1 C 13 10.683 0.400 . 1 . . . A 26 ILE CD1 . 17720 1
296 . 1 1 26 26 ILE N N 15 128.592 0.400 . 1 . . . A 26 ILE N . 17720 1
297 . 1 1 27 27 LEU H H 1 8.332 0.020 . 1 . . . A 27 LEU H . 17720 1
298 . 1 1 27 27 LEU HA H 1 5.206 0.020 . 1 . . . A 27 LEU HA . 17720 1
299 . 1 1 27 27 LEU HB2 H 1 1.762 0.020 . 2 . . . A 27 LEU HB2 . 17720 1
300 . 1 1 27 27 LEU HB3 H 1 1.533 0.020 . 2 . . . A 27 LEU HB3 . 17720 1
301 . 1 1 27 27 LEU HG H 1 1.522 0.020 . 1 . . . A 27 LEU HG . 17720 1
302 . 1 1 27 27 LEU HD11 H 1 0.663 0.020 . 2 . . . A 27 LEU HD11 . 17720 1
303 . 1 1 27 27 LEU HD12 H 1 0.663 0.020 . 2 . . . A 27 LEU HD12 . 17720 1
304 . 1 1 27 27 LEU HD13 H 1 0.663 0.020 . 2 . . . A 27 LEU HD13 . 17720 1
305 . 1 1 27 27 LEU HD21 H 1 0.915 0.020 . 2 . . . A 27 LEU HD21 . 17720 1
306 . 1 1 27 27 LEU HD22 H 1 0.915 0.020 . 2 . . . A 27 LEU HD22 . 17720 1
307 . 1 1 27 27 LEU HD23 H 1 0.915 0.020 . 2 . . . A 27 LEU HD23 . 17720 1
308 . 1 1 27 27 LEU C C 13 174.913 0.400 . 1 . . . A 27 LEU C . 17720 1
309 . 1 1 27 27 LEU CA C 13 52.902 0.400 . 1 . . . A 27 LEU CA . 17720 1
310 . 1 1 27 27 LEU CB C 13 44.815 0.400 . 1 . . . A 27 LEU CB . 17720 1
311 . 1 1 27 27 LEU CG C 13 27.216 0.400 . 1 . . . A 27 LEU CG . 17720 1
312 . 1 1 27 27 LEU CD1 C 13 28.294 0.400 . 1 . . . A 27 LEU CD1 . 17720 1
313 . 1 1 27 27 LEU CD2 C 13 25.930 0.400 . 1 . . . A 27 LEU CD2 . 17720 1
314 . 1 1 27 27 LEU N N 15 130.238 0.400 . 1 . . . A 27 LEU N . 17720 1
315 . 1 1 28 28 THR H H 1 8.944 0.020 . 1 . . . A 28 THR H . 17720 1
316 . 1 1 28 28 THR HA H 1 4.762 0.020 . 1 . . . A 28 THR HA . 17720 1
317 . 1 1 28 28 THR HB H 1 4.080 0.020 . 1 . . . A 28 THR HB . 17720 1
318 . 1 1 28 28 THR HG21 H 1 1.130 0.020 . 1 . . . A 28 THR HG21 . 17720 1
319 . 1 1 28 28 THR HG22 H 1 1.130 0.020 . 1 . . . A 28 THR HG22 . 17720 1
320 . 1 1 28 28 THR HG23 H 1 1.130 0.020 . 1 . . . A 28 THR HG23 . 17720 1
321 . 1 1 28 28 THR C C 13 173.252 0.400 . 1 . . . A 28 THR C . 17720 1
322 . 1 1 28 28 THR CA C 13 60.248 0.400 . 1 . . . A 28 THR CA . 17720 1
323 . 1 1 28 28 THR CB C 13 71.933 0.400 . 1 . . . A 28 THR CB . 17720 1
324 . 1 1 28 28 THR CG2 C 13 21.714 0.400 . 1 . . . A 28 THR CG2 . 17720 1
325 . 1 1 28 28 THR N N 15 111.337 0.400 . 1 . . . A 28 THR N . 17720 1
326 . 1 1 29 29 ILE H H 1 8.679 0.020 . 1 . . . A 29 ILE H . 17720 1
327 . 1 1 29 29 ILE HA H 1 5.133 0.020 . 1 . . . A 29 ILE HA . 17720 1
328 . 1 1 29 29 ILE HB H 1 1.715 0.020 . 1 . . . A 29 ILE HB . 17720 1
329 . 1 1 29 29 ILE HG12 H 1 1.665 0.020 . 2 . . . A 29 ILE HG12 . 17720 1
330 . 1 1 29 29 ILE HG21 H 1 0.870 0.020 . 1 . . . A 29 ILE HG21 . 17720 1
331 . 1 1 29 29 ILE HG22 H 1 0.870 0.020 . 1 . . . A 29 ILE HG22 . 17720 1
332 . 1 1 29 29 ILE HG23 H 1 0.870 0.020 . 1 . . . A 29 ILE HG23 . 17720 1
333 . 1 1 29 29 ILE HD11 H 1 0.788 0.020 . 1 . . . A 29 ILE HD11 . 17720 1
334 . 1 1 29 29 ILE HD12 H 1 0.788 0.020 . 1 . . . A 29 ILE HD12 . 17720 1
335 . 1 1 29 29 ILE HD13 H 1 0.788 0.020 . 1 . . . A 29 ILE HD13 . 17720 1
336 . 1 1 29 29 ILE C C 13 176.984 0.400 . 1 . . . A 29 ILE C . 17720 1
337 . 1 1 29 29 ILE CA C 13 60.065 0.400 . 1 . . . A 29 ILE CA . 17720 1
338 . 1 1 29 29 ILE CB C 13 40.617 0.400 . 1 . . . A 29 ILE CB . 17720 1
339 . 1 1 29 29 ILE CG1 C 13 29.013 0.400 . 1 . . . A 29 ILE CG1 . 17720 1
340 . 1 1 29 29 ILE CG2 C 13 17.755 0.400 . 1 . . . A 29 ILE CG2 . 17720 1
341 . 1 1 29 29 ILE CD1 C 13 13.375 0.400 . 1 . . . A 29 ILE CD1 . 17720 1
342 . 1 1 29 29 ILE N N 15 121.898 0.400 . 1 . . . A 29 ILE N . 17720 1
343 . 1 1 30 30 GLN H H 1 9.594 0.020 . 1 . . . A 30 GLN H . 17720 1
344 . 1 1 30 30 GLN HA H 1 4.595 0.020 . 1 . . . A 30 GLN HA . 17720 1
345 . 1 1 30 30 GLN HB2 H 1 2.159 0.020 . 2 . . . A 30 GLN HB2 . 17720 1
346 . 1 1 30 30 GLN HB3 H 1 2.039 0.020 . 2 . . . A 30 GLN HB3 . 17720 1
347 . 1 1 30 30 GLN HG2 H 1 2.302 0.020 . 2 . . . A 30 GLN HG2 . 17720 1
348 . 1 1 30 30 GLN HE22 H 1 6.717 0.020 . 2 . . . A 30 GLN HE22 . 17720 1
349 . 1 1 30 30 GLN C C 13 174.447 0.400 . 1 . . . A 30 GLN C . 17720 1
350 . 1 1 30 30 GLN CA C 13 54.733 0.400 . 1 . . . A 30 GLN CA . 17720 1
351 . 1 1 30 30 GLN CB C 13 30.456 0.400 . 1 . . . A 30 GLN CB . 17720 1
352 . 1 1 30 30 GLN CG C 13 34.361 0.400 . 1 . . . A 30 GLN CG . 17720 1
353 . 1 1 30 30 GLN N N 15 127.851 0.400 . 1 . . . A 30 GLN N . 17720 1
354 . 1 1 30 30 GLN NE2 N 15 109.941 0.400 . 1 . . . A 30 GLN NE2 . 17720 1
355 . 1 1 31 31 GLN H H 1 8.867 0.020 . 1 . . . A 31 GLN H . 17720 1
356 . 1 1 31 31 GLN HA H 1 4.557 0.020 . 1 . . . A 31 GLN HA . 17720 1
357 . 1 1 31 31 GLN HB2 H 1 1.930 0.020 . 2 . . . A 31 GLN HB2 . 17720 1
358 . 1 1 31 31 GLN HB3 H 1 2.070 0.020 . 2 . . . A 31 GLN HB3 . 17720 1
359 . 1 1 31 31 GLN HG2 H 1 2.240 0.020 . 2 . . . A 31 GLN HG2 . 17720 1
360 . 1 1 31 31 GLN HG3 H 1 2.360 0.020 . 2 . . . A 31 GLN HG3 . 17720 1
361 . 1 1 31 31 GLN HE21 H 1 6.871 0.020 . 2 . . . A 31 GLN HE21 . 17720 1
362 . 1 1 31 31 GLN HE22 H 1 7.373 0.020 . 2 . . . A 31 GLN HE22 . 17720 1
363 . 1 1 31 31 GLN CA C 13 55.577 0.400 . 1 . . . A 31 GLN CA . 17720 1
364 . 1 1 31 31 GLN CB C 13 29.100 0.400 . 1 . . . A 31 GLN CB . 17720 1
365 . 1 1 31 31 GLN CG C 13 33.326 0.400 . 1 . . . A 31 GLN CG . 17720 1
366 . 1 1 31 31 GLN N N 15 125.070 0.400 . 1 . . . A 31 GLN N . 17720 1
367 . 1 1 31 31 GLN NE2 N 15 113.238 0.400 . 1 . . . A 31 GLN NE2 . 17720 1
368 . 1 1 32 32 HIS H H 1 8.496 0.020 . 1 . . . A 32 HIS H . 17720 1
369 . 1 1 32 32 HIS HA H 1 4.900 0.020 . 1 . . . A 32 HIS HA . 17720 1
370 . 1 1 32 32 HIS HB2 H 1 3.300 0.020 . 2 . . . A 32 HIS HB2 . 17720 1
371 . 1 1 32 32 HIS HB3 H 1 3.420 0.020 . 2 . . . A 32 HIS HB3 . 17720 1
372 . 1 1 32 32 HIS CA C 13 55.639 0.400 . 1 . . . A 32 HIS CA . 17720 1
373 . 1 1 32 32 HIS CB C 13 29.063 0.400 . 1 . . . A 32 HIS CB . 17720 1
374 . 1 1 32 32 HIS N N 15 127.295 0.400 . 1 . . . A 32 HIS N . 17720 1
375 . 1 1 33 33 ASN HA H 1 4.624 0.020 . 1 . . . A 33 ASN HA . 17720 1
376 . 1 1 33 33 ASN HB2 H 1 2.922 0.020 . 2 . . . A 33 ASN HB2 . 17720 1
377 . 1 1 33 33 ASN HD21 H 1 7.032 0.020 . 2 . . . A 33 ASN HD21 . 17720 1
378 . 1 1 33 33 ASN HD22 H 1 7.730 0.020 . 2 . . . A 33 ASN HD22 . 17720 1
379 . 1 1 33 33 ASN C C 13 175.245 0.400 . 1 . . . A 33 ASN C . 17720 1
380 . 1 1 33 33 ASN CA C 13 55.967 0.400 . 1 . . . A 33 ASN CA . 17720 1
381 . 1 1 33 33 ASN CB C 13 38.033 0.400 . 1 . . . A 33 ASN CB . 17720 1
382 . 1 1 33 33 ASN ND2 N 15 113.254 0.400 . 1 . . . A 33 ASN ND2 . 17720 1
383 . 1 1 34 34 GLN H H 1 8.054 0.020 . 1 . . . A 34 GLN H . 17720 1
384 . 1 1 34 34 GLN HA H 1 4.610 0.020 . 1 . . . A 34 GLN HA . 17720 1
385 . 1 1 34 34 GLN C C 13 174.100 0.400 . 1 . . . A 34 GLN C . 17720 1
386 . 1 1 34 34 GLN N N 15 116.327 0.400 . 1 . . . A 34 GLN N . 17720 1
387 . 1 1 35 35 SER H H 1 8.528 0.020 . 1 . . . A 35 SER H . 17720 1
388 . 1 1 35 35 SER HA H 1 4.575 0.020 . 1 . . . A 35 SER HA . 17720 1
389 . 1 1 35 35 SER HB2 H 1 3.967 0.020 . 2 . . . A 35 SER HB2 . 17720 1
390 . 1 1 35 35 SER HB3 H 1 3.620 0.020 . 2 . . . A 35 SER HB3 . 17720 1
391 . 1 1 35 35 SER C C 13 172.501 0.400 . 1 . . . A 35 SER C . 17720 1
392 . 1 1 35 35 SER CA C 13 58.165 0.400 . 1 . . . A 35 SER CA . 17720 1
393 . 1 1 35 35 SER CB C 13 63.619 0.400 . 1 . . . A 35 SER CB . 17720 1
394 . 1 1 35 35 SER N N 15 116.485 0.400 . 1 . . . A 35 SER N . 17720 1
395 . 1 1 36 36 ASP H H 1 8.448 0.020 . 1 . . . A 36 ASP H . 17720 1
396 . 1 1 36 36 ASP HA H 1 4.986 0.020 . 1 . . . A 36 ASP HA . 17720 1
397 . 1 1 36 36 ASP HB2 H 1 3.237 0.020 . 2 . . . A 36 ASP HB2 . 17720 1
398 . 1 1 36 36 ASP HB3 H 1 2.691 0.020 . 2 . . . A 36 ASP HB3 . 17720 1
399 . 1 1 36 36 ASP C C 13 175.201 0.400 . 1 . . . A 36 ASP C . 17720 1
400 . 1 1 36 36 ASP CA C 13 54.140 0.400 . 1 . . . A 36 ASP CA . 17720 1
401 . 1 1 36 36 ASP CB C 13 41.894 0.400 . 1 . . . A 36 ASP CB . 17720 1
402 . 1 1 36 36 ASP N N 15 128.187 0.400 . 1 . . . A 36 ASP N . 17720 1
403 . 1 1 37 37 VAL H H 1 8.704 0.020 . 1 . . . A 37 VAL H . 17720 1
404 . 1 1 37 37 VAL HA H 1 4.983 0.020 . 1 . . . A 37 VAL HA . 17720 1
405 . 1 1 37 37 VAL HB H 1 1.937 0.020 . 1 . . . A 37 VAL HB . 17720 1
406 . 1 1 37 37 VAL HG11 H 1 1.112 0.020 . 2 . . . A 37 VAL HG11 . 17720 1
407 . 1 1 37 37 VAL HG12 H 1 1.112 0.020 . 2 . . . A 37 VAL HG12 . 17720 1
408 . 1 1 37 37 VAL HG13 H 1 1.112 0.020 . 2 . . . A 37 VAL HG13 . 17720 1
409 . 1 1 37 37 VAL HG21 H 1 1.051 0.020 . 2 . . . A 37 VAL HG21 . 17720 1
410 . 1 1 37 37 VAL HG22 H 1 1.051 0.020 . 2 . . . A 37 VAL HG22 . 17720 1
411 . 1 1 37 37 VAL HG23 H 1 1.051 0.020 . 2 . . . A 37 VAL HG23 . 17720 1
412 . 1 1 37 37 VAL C C 13 174.286 0.400 . 1 . . . A 37 VAL C . 17720 1
413 . 1 1 37 37 VAL CA C 13 61.828 0.400 . 1 . . . A 37 VAL CA . 17720 1
414 . 1 1 37 37 VAL CB C 13 33.326 0.400 . 1 . . . A 37 VAL CB . 17720 1
415 . 1 1 37 37 VAL CG1 C 13 21.812 0.400 . 1 . . . A 37 VAL CG1 . 17720 1
416 . 1 1 37 37 VAL CG2 C 13 23.777 0.400 . 1 . . . A 37 VAL CG2 . 17720 1
417 . 1 1 37 37 VAL N N 15 122.994 0.400 . 1 . . . A 37 VAL N . 17720 1
418 . 1 1 38 38 TRP H H 1 9.605 0.020 . 1 . . . A 38 TRP H . 17720 1
419 . 1 1 38 38 TRP HA H 1 5.101 0.020 . 1 . . . A 38 TRP HA . 17720 1
420 . 1 1 38 38 TRP HB2 H 1 3.033 0.020 . 2 . . . A 38 TRP HB2 . 17720 1
421 . 1 1 38 38 TRP HD1 H 1 7.052 0.020 . 1 . . . A 38 TRP HD1 . 17720 1
422 . 1 1 38 38 TRP HE1 H 1 10.542 0.020 . 1 . . . A 38 TRP HE1 . 17720 1
423 . 1 1 38 38 TRP HE3 H 1 7.130 0.020 . 1 . . . A 38 TRP HE3 . 17720 1
424 . 1 1 38 38 TRP HZ2 H 1 7.527 0.020 . 1 . . . A 38 TRP HZ2 . 17720 1
425 . 1 1 38 38 TRP HZ3 H 1 6.931 0.020 . 1 . . . A 38 TRP HZ3 . 17720 1
426 . 1 1 38 38 TRP HH2 H 1 7.198 0.020 . 1 . . . A 38 TRP HH2 . 17720 1
427 . 1 1 38 38 TRP C C 13 174.129 0.400 . 1 . . . A 38 TRP C . 17720 1
428 . 1 1 38 38 TRP CA C 13 56.706 0.400 . 1 . . . A 38 TRP CA . 17720 1
429 . 1 1 38 38 TRP CB C 13 32.277 0.400 . 1 . . . A 38 TRP CB . 17720 1
430 . 1 1 38 38 TRP CD1 C 13 125.745 0.400 . 1 . . . A 38 TRP CD1 . 17720 1
431 . 1 1 38 38 TRP CE3 C 13 119.915 0.400 . 1 . . . A 38 TRP CE3 . 17720 1
432 . 1 1 38 38 TRP CZ2 C 13 115.085 0.400 . 1 . . . A 38 TRP CZ2 . 17720 1
433 . 1 1 38 38 TRP CZ3 C 13 121.870 0.400 . 1 . . . A 38 TRP CZ3 . 17720 1
434 . 1 1 38 38 TRP CH2 C 13 124.503 0.400 . 1 . . . A 38 TRP CH2 . 17720 1
435 . 1 1 38 38 TRP N N 15 128.762 0.400 . 1 . . . A 38 TRP N . 17720 1
436 . 1 1 38 38 TRP NE1 N 15 130.576 0.400 . 1 . . . A 38 TRP NE1 . 17720 1
437 . 1 1 39 39 LEU H H 1 9.358 0.020 . 1 . . . A 39 LEU H . 17720 1
438 . 1 1 39 39 LEU HA H 1 4.860 0.020 . 1 . . . A 39 LEU HA . 17720 1
439 . 1 1 39 39 LEU HB2 H 1 1.908 0.020 . 2 . . . A 39 LEU HB2 . 17720 1
440 . 1 1 39 39 LEU HB3 H 1 1.163 0.020 . 2 . . . A 39 LEU HB3 . 17720 1
441 . 1 1 39 39 LEU HD11 H 1 0.955 0.020 . 2 . . . A 39 LEU HD11 . 17720 1
442 . 1 1 39 39 LEU HD12 H 1 0.955 0.020 . 2 . . . A 39 LEU HD12 . 17720 1
443 . 1 1 39 39 LEU HD13 H 1 0.955 0.020 . 2 . . . A 39 LEU HD13 . 17720 1
444 . 1 1 39 39 LEU HD21 H 1 0.770 0.020 . 2 . . . A 39 LEU HD21 . 17720 1
445 . 1 1 39 39 LEU HD22 H 1 0.770 0.020 . 2 . . . A 39 LEU HD22 . 17720 1
446 . 1 1 39 39 LEU HD23 H 1 0.770 0.020 . 2 . . . A 39 LEU HD23 . 17720 1
447 . 1 1 39 39 LEU C C 13 175.304 0.400 . 1 . . . A 39 LEU C . 17720 1
448 . 1 1 39 39 LEU CA C 13 53.092 0.400 . 1 . . . A 39 LEU CA . 17720 1
449 . 1 1 39 39 LEU CB C 13 46.973 0.400 . 1 . . . A 39 LEU CB . 17720 1
450 . 1 1 39 39 LEU CD1 C 13 23.088 0.400 . 1 . . . A 39 LEU CD1 . 17720 1
451 . 1 1 39 39 LEU CD2 C 13 27.249 0.400 . 1 . . . A 39 LEU CD2 . 17720 1
452 . 1 1 39 39 LEU N N 15 122.428 0.400 . 1 . . . A 39 LEU N . 17720 1
453 . 1 1 40 40 ALA H H 1 8.799 0.020 . 1 . . . A 40 ALA H . 17720 1
454 . 1 1 40 40 ALA HA H 1 4.582 0.020 . 1 . . . A 40 ALA HA . 17720 1
455 . 1 1 40 40 ALA HB1 H 1 1.529 0.020 . 1 . . . A 40 ALA HB1 . 17720 1
456 . 1 1 40 40 ALA HB2 H 1 1.529 0.020 . 1 . . . A 40 ALA HB2 . 17720 1
457 . 1 1 40 40 ALA HB3 H 1 1.529 0.020 . 1 . . . A 40 ALA HB3 . 17720 1
458 . 1 1 40 40 ALA C C 13 178.001 0.400 . 1 . . . A 40 ALA C . 17720 1
459 . 1 1 40 40 ALA CA C 13 54.500 0.400 . 1 . . . A 40 ALA CA . 17720 1
460 . 1 1 40 40 ALA CB C 13 19.043 0.400 . 1 . . . A 40 ALA CB . 17720 1
461 . 1 1 40 40 ALA N N 15 129.718 0.400 . 1 . . . A 40 ALA N . 17720 1
462 . 1 1 41 41 ASP H H 1 7.776 0.020 . 1 . . . A 41 ASP H . 17720 1
463 . 1 1 41 41 ASP HA H 1 4.834 0.020 . 1 . . . A 41 ASP HA . 17720 1
464 . 1 1 41 41 ASP HB2 H 1 3.017 0.020 . 2 . . . A 41 ASP HB2 . 17720 1
465 . 1 1 41 41 ASP HB3 H 1 2.553 0.020 . 2 . . . A 41 ASP HB3 . 17720 1
466 . 1 1 41 41 ASP C C 13 176.012 0.400 . 1 . . . A 41 ASP C . 17720 1
467 . 1 1 41 41 ASP CA C 13 52.060 0.400 . 1 . . . A 41 ASP CA . 17720 1
468 . 1 1 41 41 ASP CB C 13 38.712 0.400 . 1 . . . A 41 ASP CB . 17720 1
469 . 1 1 41 41 ASP N N 15 115.578 0.400 . 1 . . . A 41 ASP N . 17720 1
470 . 1 1 42 42 GLU H H 1 8.499 0.020 . 1 . . . A 42 GLU H . 17720 1
471 . 1 1 42 42 GLU HA H 1 3.631 0.020 . 1 . . . A 42 GLU HA . 17720 1
472 . 1 1 42 42 GLU HB2 H 1 2.218 0.020 . 2 . . . A 42 GLU HB2 . 17720 1
473 . 1 1 42 42 GLU HB3 H 1 2.000 0.020 . 2 . . . A 42 GLU HB3 . 17720 1
474 . 1 1 42 42 GLU HG2 H 1 2.552 0.020 . 2 . . . A 42 GLU HG2 . 17720 1
475 . 1 1 42 42 GLU HG3 H 1 2.099 0.020 . 2 . . . A 42 GLU HG3 . 17720 1
476 . 1 1 42 42 GLU C C 13 178.190 0.400 . 1 . . . A 42 GLU C . 17720 1
477 . 1 1 42 42 GLU CA C 13 59.692 0.400 . 1 . . . A 42 GLU CA . 17720 1
478 . 1 1 42 42 GLU CB C 13 28.658 0.400 . 1 . . . A 42 GLU CB . 17720 1
479 . 1 1 42 42 GLU CG C 13 37.335 0.400 . 1 . . . A 42 GLU CG . 17720 1
480 . 1 1 42 42 GLU N N 15 123.070 0.400 . 1 . . . A 42 GLU N . 17720 1
481 . 1 1 43 43 SER H H 1 8.318 0.020 . 1 . . . A 43 SER H . 17720 1
482 . 1 1 43 43 SER HA H 1 4.354 0.020 . 1 . . . A 43 SER HA . 17720 1
483 . 1 1 43 43 SER HB2 H 1 4.032 0.020 . 2 . . . A 43 SER HB2 . 17720 1
484 . 1 1 43 43 SER C C 13 176.272 0.400 . 1 . . . A 43 SER C . 17720 1
485 . 1 1 43 43 SER CB C 13 62.536 0.400 . 1 . . . A 43 SER CB . 17720 1
486 . 1 1 43 43 SER N N 15 116.371 0.400 . 1 . . . A 43 SER N . 17720 1
487 . 1 1 44 44 GLN H H 1 7.732 0.020 . 1 . . . A 44 GLN H . 17720 1
488 . 1 1 44 44 GLN HA H 1 4.705 0.020 . 1 . . . A 44 GLN HA . 17720 1
489 . 1 1 44 44 GLN HB2 H 1 2.448 0.020 . 2 . . . A 44 GLN HB2 . 17720 1
490 . 1 1 44 44 GLN HB3 H 1 1.980 0.020 . 2 . . . A 44 GLN HB3 . 17720 1
491 . 1 1 44 44 GLN HG2 H 1 2.261 0.020 . 2 . . . A 44 GLN HG2 . 17720 1
492 . 1 1 44 44 GLN HE21 H 1 6.624 0.020 . 2 . . . A 44 GLN HE21 . 17720 1
493 . 1 1 44 44 GLN HE22 H 1 7.346 0.020 . 2 . . . A 44 GLN HE22 . 17720 1
494 . 1 1 44 44 GLN C C 13 175.899 0.400 . 1 . . . A 44 GLN C . 17720 1
495 . 1 1 44 44 GLN CA C 13 54.529 0.400 . 1 . . . A 44 GLN CA . 17720 1
496 . 1 1 44 44 GLN CB C 13 28.231 0.400 . 1 . . . A 44 GLN CB . 17720 1
497 . 1 1 44 44 GLN CG C 13 32.954 0.400 . 1 . . . A 44 GLN CG . 17720 1
498 . 1 1 44 44 GLN N N 15 118.929 0.400 . 1 . . . A 44 GLN N . 17720 1
499 . 1 1 44 44 GLN NE2 N 15 112.060 0.400 . 1 . . . A 44 GLN NE2 . 17720 1
500 . 1 1 45 45 ALA H H 1 7.553 0.020 . 1 . . . A 45 ALA H . 17720 1
501 . 1 1 45 45 ALA HA H 1 3.561 0.020 . 1 . . . A 45 ALA HA . 17720 1
502 . 1 1 45 45 ALA HB1 H 1 1.410 0.020 . 1 . . . A 45 ALA HB1 . 17720 1
503 . 1 1 45 45 ALA HB2 H 1 1.410 0.020 . 1 . . . A 45 ALA HB2 . 17720 1
504 . 1 1 45 45 ALA HB3 H 1 1.410 0.020 . 1 . . . A 45 ALA HB3 . 17720 1
505 . 1 1 45 45 ALA C C 13 178.409 0.400 . 1 . . . A 45 ALA C . 17720 1
506 . 1 1 45 45 ALA CA C 13 56.980 0.400 . 1 . . . A 45 ALA CA . 17720 1
507 . 1 1 45 45 ALA CB C 13 18.744 0.400 . 1 . . . A 45 ALA CB . 17720 1
508 . 1 1 45 45 ALA N N 15 122.775 0.400 . 1 . . . A 45 ALA N . 17720 1
509 . 1 1 46 46 GLU H H 1 8.677 0.020 . 1 . . . A 46 GLU H . 17720 1
510 . 1 1 46 46 GLU HA H 1 4.019 0.020 . 1 . . . A 46 GLU HA . 17720 1
511 . 1 1 46 46 GLU HB2 H 1 2.062 0.020 . 2 . . . A 46 GLU HB2 . 17720 1
512 . 1 1 46 46 GLU HG2 H 1 2.364 0.020 . 2 . . . A 46 GLU HG2 . 17720 1
513 . 1 1 46 46 GLU HG3 H 1 2.301 0.020 . 2 . . . A 46 GLU HG3 . 17720 1
514 . 1 1 46 46 GLU C C 13 179.407 0.400 . 1 . . . A 46 GLU C . 17720 1
515 . 1 1 46 46 GLU CA C 13 59.920 0.400 . 1 . . . A 46 GLU CA . 17720 1
516 . 1 1 46 46 GLU CB C 13 28.707 0.400 . 1 . . . A 46 GLU CB . 17720 1
517 . 1 1 46 46 GLU CG C 13 36.543 0.400 . 1 . . . A 46 GLU CG . 17720 1
518 . 1 1 46 46 GLU N N 15 116.778 0.400 . 1 . . . A 46 GLU N . 17720 1
519 . 1 1 47 47 ARG H H 1 8.029 0.020 . 1 . . . A 47 ARG H . 17720 1
520 . 1 1 47 47 ARG HA H 1 4.225 0.020 . 1 . . . A 47 ARG HA . 17720 1
521 . 1 1 47 47 ARG HB2 H 1 2.014 0.020 . 2 . . . A 47 ARG HB2 . 17720 1
522 . 1 1 47 47 ARG HG2 H 1 1.782 0.020 . 2 . . . A 47 ARG HG2 . 17720 1
523 . 1 1 47 47 ARG HG3 H 1 1.669 0.020 . 2 . . . A 47 ARG HG3 . 17720 1
524 . 1 1 47 47 ARG HD2 H 1 3.279 0.020 . 2 . . . A 47 ARG HD2 . 17720 1
525 . 1 1 47 47 ARG HD3 H 1 3.214 0.020 . 2 . . . A 47 ARG HD3 . 17720 1
526 . 1 1 47 47 ARG C C 13 178.751 0.400 . 1 . . . A 47 ARG C . 17720 1
527 . 1 1 47 47 ARG CA C 13 58.762 0.400 . 1 . . . A 47 ARG CA . 17720 1
528 . 1 1 47 47 ARG CB C 13 29.928 0.400 . 1 . . . A 47 ARG CB . 17720 1
529 . 1 1 47 47 ARG CG C 13 27.292 0.400 . 1 . . . A 47 ARG CG . 17720 1
530 . 1 1 47 47 ARG CD C 13 43.748 0.400 . 1 . . . A 47 ARG CD . 17720 1
531 . 1 1 47 47 ARG N N 15 122.111 0.400 . 1 . . . A 47 ARG N . 17720 1
532 . 1 1 48 48 VAL H H 1 8.441 0.020 . 1 . . . A 48 VAL H . 17720 1
533 . 1 1 48 48 VAL HA H 1 3.650 0.020 . 1 . . . A 48 VAL HA . 17720 1
534 . 1 1 48 48 VAL HB H 1 2.207 0.020 . 1 . . . A 48 VAL HB . 17720 1
535 . 1 1 48 48 VAL HG11 H 1 1.164 0.020 . 2 . . . A 48 VAL HG11 . 17720 1
536 . 1 1 48 48 VAL HG12 H 1 1.164 0.020 . 2 . . . A 48 VAL HG12 . 17720 1
537 . 1 1 48 48 VAL HG13 H 1 1.164 0.020 . 2 . . . A 48 VAL HG13 . 17720 1
538 . 1 1 48 48 VAL HG21 H 1 1.605 0.020 . 2 . . . A 48 VAL HG21 . 17720 1
539 . 1 1 48 48 VAL HG22 H 1 1.605 0.020 . 2 . . . A 48 VAL HG22 . 17720 1
540 . 1 1 48 48 VAL HG23 H 1 1.605 0.020 . 2 . . . A 48 VAL HG23 . 17720 1
541 . 1 1 48 48 VAL C C 13 177.724 0.400 . 1 . . . A 48 VAL C . 17720 1
542 . 1 1 48 48 VAL CA C 13 66.961 0.400 . 1 . . . A 48 VAL CA . 17720 1
543 . 1 1 48 48 VAL CB C 13 31.240 0.400 . 1 . . . A 48 VAL CB . 17720 1
544 . 1 1 48 48 VAL CG1 C 13 23.775 0.400 . 1 . . . A 48 VAL CG1 . 17720 1
545 . 1 1 48 48 VAL CG2 C 13 25.595 0.400 . 1 . . . A 48 VAL CG2 . 17720 1
546 . 1 1 48 48 VAL N N 15 118.388 0.400 . 1 . . . A 48 VAL N . 17720 1
547 . 1 1 49 49 ARG H H 1 8.591 0.020 . 1 . . . A 49 ARG H . 17720 1
548 . 1 1 49 49 ARG HA H 1 3.898 0.020 . 1 . . . A 49 ARG HA . 17720 1
549 . 1 1 49 49 ARG HB2 H 1 1.905 0.020 . 2 . . . A 49 ARG HB2 . 17720 1
550 . 1 1 49 49 ARG HG2 H 1 1.575 0.020 . 2 . . . A 49 ARG HG2 . 17720 1
551 . 1 1 49 49 ARG HD2 H 1 3.211 0.020 . 2 . . . A 49 ARG HD2 . 17720 1
552 . 1 1 49 49 ARG HD3 H 1 3.135 0.020 . 2 . . . A 49 ARG HD3 . 17720 1
553 . 1 1 49 49 ARG C C 13 179.343 0.400 . 1 . . . A 49 ARG C . 17720 1
554 . 1 1 49 49 ARG CA C 13 60.742 0.400 . 1 . . . A 49 ARG CA . 17720 1
555 . 1 1 49 49 ARG CB C 13 29.654 0.400 . 1 . . . A 49 ARG CB . 17720 1
556 . 1 1 49 49 ARG CG C 13 29.493 0.400 . 1 . . . A 49 ARG CG . 17720 1
557 . 1 1 49 49 ARG CD C 13 43.333 0.400 . 1 . . . A 49 ARG CD . 17720 1
558 . 1 1 49 49 ARG N N 15 119.175 0.400 . 1 . . . A 49 ARG N . 17720 1
559 . 1 1 50 50 ALA H H 1 8.078 0.020 . 1 . . . A 50 ALA H . 17720 1
560 . 1 1 50 50 ALA HA H 1 4.293 0.020 . 1 . . . A 50 ALA HA . 17720 1
561 . 1 1 50 50 ALA HB1 H 1 1.609 0.020 . 1 . . . A 50 ALA HB1 . 17720 1
562 . 1 1 50 50 ALA HB2 H 1 1.609 0.020 . 1 . . . A 50 ALA HB2 . 17720 1
563 . 1 1 50 50 ALA HB3 H 1 1.609 0.020 . 1 . . . A 50 ALA HB3 . 17720 1
564 . 1 1 50 50 ALA C C 13 181.153 0.400 . 1 . . . A 50 ALA C . 17720 1
565 . 1 1 50 50 ALA CA C 13 55.099 0.400 . 1 . . . A 50 ALA CA . 17720 1
566 . 1 1 50 50 ALA CB C 13 17.872 0.400 . 1 . . . A 50 ALA CB . 17720 1
567 . 1 1 50 50 ALA N N 15 123.984 0.400 . 1 . . . A 50 ALA N . 17720 1
568 . 1 1 51 51 GLU H H 1 8.353 0.020 . 1 . . . A 51 GLU H . 17720 1
569 . 1 1 51 51 GLU HA H 1 4.414 0.020 . 1 . . . A 51 GLU HA . 17720 1
570 . 1 1 51 51 GLU HB2 H 1 2.654 0.020 . 2 . . . A 51 GLU HB2 . 17720 1
571 . 1 1 51 51 GLU HB3 H 1 2.425 0.020 . 2 . . . A 51 GLU HB3 . 17720 1
572 . 1 1 51 51 GLU HG2 H 1 2.719 0.020 . 2 . . . A 51 GLU HG2 . 17720 1
573 . 1 1 51 51 GLU C C 13 179.569 0.400 . 1 . . . A 51 GLU C . 17720 1
574 . 1 1 51 51 GLU CA C 13 58.483 0.400 . 1 . . . A 51 GLU CA . 17720 1
575 . 1 1 51 51 GLU CB C 13 30.091 0.400 . 1 . . . A 51 GLU CB . 17720 1
576 . 1 1 51 51 GLU CG C 13 36.201 0.400 . 1 . . . A 51 GLU CG . 17720 1
577 . 1 1 51 51 GLU N N 15 118.646 0.400 . 1 . . . A 51 GLU N . 17720 1
578 . 1 1 52 52 LEU H H 1 8.970 0.020 . 1 . . . A 52 LEU H . 17720 1
579 . 1 1 52 52 LEU HA H 1 3.947 0.020 . 1 . . . A 52 LEU HA . 17720 1
580 . 1 1 52 52 LEU HB2 H 1 1.990 0.020 . 2 . . . A 52 LEU HB2 . 17720 1
581 . 1 1 52 52 LEU HB3 H 1 1.363 0.020 . 2 . . . A 52 LEU HB3 . 17720 1
582 . 1 1 52 52 LEU HG H 1 1.447 0.020 . 1 . . . A 52 LEU HG . 17720 1
583 . 1 1 52 52 LEU HD11 H 1 0.220 0.020 . 2 . . . A 52 LEU HD11 . 17720 1
584 . 1 1 52 52 LEU HD12 H 1 0.220 0.020 . 2 . . . A 52 LEU HD12 . 17720 1
585 . 1 1 52 52 LEU HD13 H 1 0.220 0.020 . 2 . . . A 52 LEU HD13 . 17720 1
586 . 1 1 52 52 LEU HD21 H 1 0.595 0.020 . 2 . . . A 52 LEU HD21 . 17720 1
587 . 1 1 52 52 LEU HD22 H 1 0.595 0.020 . 2 . . . A 52 LEU HD22 . 17720 1
588 . 1 1 52 52 LEU HD23 H 1 0.595 0.020 . 2 . . . A 52 LEU HD23 . 17720 1
589 . 1 1 52 52 LEU C C 13 177.428 0.400 . 1 . . . A 52 LEU C . 17720 1
590 . 1 1 52 52 LEU CA C 13 57.764 0.400 . 1 . . . A 52 LEU CA . 17720 1
591 . 1 1 52 52 LEU CB C 13 41.271 0.400 . 1 . . . A 52 LEU CB . 17720 1
592 . 1 1 52 52 LEU CG C 13 26.497 0.400 . 1 . . . A 52 LEU CG . 17720 1
593 . 1 1 52 52 LEU CD1 C 13 22.227 0.400 . 1 . . . A 52 LEU CD1 . 17720 1
594 . 1 1 52 52 LEU CD2 C 13 26.008 0.400 . 1 . . . A 52 LEU CD2 . 17720 1
595 . 1 1 52 52 LEU N N 15 122.533 0.400 . 1 . . . A 52 LEU N . 17720 1
596 . 1 1 53 53 ALA H H 1 7.413 0.020 . 1 . . . A 53 ALA H . 17720 1
597 . 1 1 53 53 ALA HA H 1 4.026 0.020 . 1 . . . A 53 ALA HA . 17720 1
598 . 1 1 53 53 ALA HB1 H 1 1.500 0.020 . 1 . . . A 53 ALA HB1 . 17720 1
599 . 1 1 53 53 ALA HB2 H 1 1.500 0.020 . 1 . . . A 53 ALA HB2 . 17720 1
600 . 1 1 53 53 ALA HB3 H 1 1.500 0.020 . 1 . . . A 53 ALA HB3 . 17720 1
601 . 1 1 53 53 ALA C C 13 180.339 0.400 . 1 . . . A 53 ALA C . 17720 1
602 . 1 1 53 53 ALA CA C 13 55.248 0.400 . 1 . . . A 53 ALA CA . 17720 1
603 . 1 1 53 53 ALA CB C 13 17.614 0.400 . 1 . . . A 53 ALA CB . 17720 1
604 . 1 1 53 53 ALA N N 15 118.985 0.400 . 1 . . . A 53 ALA N . 17720 1
605 . 1 1 54 54 ARG H H 1 7.309 0.020 . 1 . . . A 54 ARG H . 17720 1
606 . 1 1 54 54 ARG HA H 1 4.112 0.020 . 1 . . . A 54 ARG HA . 17720 1
607 . 1 1 54 54 ARG HB2 H 1 2.000 0.020 . 2 . . . A 54 ARG HB2 . 17720 1
608 . 1 1 54 54 ARG HG2 H 1 1.835 0.020 . 2 . . . A 54 ARG HG2 . 17720 1
609 . 1 1 54 54 ARG HD2 H 1 3.285 0.020 . 2 . . . A 54 ARG HD2 . 17720 1
610 . 1 1 54 54 ARG C C 13 178.372 0.400 . 1 . . . A 54 ARG C . 17720 1
611 . 1 1 54 54 ARG CA C 13 58.738 0.400 . 1 . . . A 54 ARG CA . 17720 1
612 . 1 1 54 54 ARG CB C 13 30.360 0.400 . 1 . . . A 54 ARG CB . 17720 1
613 . 1 1 54 54 ARG CG C 13 27.216 0.400 . 1 . . . A 54 ARG CG . 17720 1
614 . 1 1 54 54 ARG CD C 13 43.343 0.400 . 1 . . . A 54 ARG CD . 17720 1
615 . 1 1 54 54 ARG N N 15 116.413 0.400 . 1 . . . A 54 ARG N . 17720 1
616 . 1 1 55 55 PHE H H 1 8.713 0.020 . 1 . . . A 55 PHE H . 17720 1
617 . 1 1 55 55 PHE HA H 1 4.025 0.020 . 1 . . . A 55 PHE HA . 17720 1
618 . 1 1 55 55 PHE HB2 H 1 3.245 0.020 . 2 . . . A 55 PHE HB2 . 17720 1
619 . 1 1 55 55 PHE HD1 H 1 6.958 0.020 . 1 . . . A 55 PHE HD1 . 17720 1
620 . 1 1 55 55 PHE HE1 H 1 6.932 0.020 . 1 . . . A 55 PHE HE1 . 17720 1
621 . 1 1 55 55 PHE C C 13 176.856 0.400 . 1 . . . A 55 PHE C . 17720 1
622 . 1 1 55 55 PHE CA C 13 60.693 0.400 . 1 . . . A 55 PHE CA . 17720 1
623 . 1 1 55 55 PHE CB C 13 40.104 0.400 . 1 . . . A 55 PHE CB . 17720 1
624 . 1 1 55 55 PHE CD1 C 13 132.177 0.400 . 1 . . . A 55 PHE CD1 . 17720 1
625 . 1 1 55 55 PHE CE1 C 13 130.144 0.400 . 1 . . . A 55 PHE CE1 . 17720 1
626 . 1 1 55 55 PHE N N 15 122.191 0.400 . 1 . . . A 55 PHE N . 17720 1
627 . 1 1 56 56 LEU H H 1 8.137 0.020 . 1 . . . A 56 LEU H . 17720 1
628 . 1 1 56 56 LEU HA H 1 4.031 0.020 . 1 . . . A 56 LEU HA . 17720 1
629 . 1 1 56 56 LEU HB2 H 1 1.800 0.020 . 2 . . . A 56 LEU HB2 . 17720 1
630 . 1 1 56 56 LEU HB3 H 1 1.524 0.020 . 2 . . . A 56 LEU HB3 . 17720 1
631 . 1 1 56 56 LEU HG H 1 1.940 0.020 . 1 . . . A 56 LEU HG . 17720 1
632 . 1 1 56 56 LEU HD11 H 1 1.449 0.020 . 2 . . . A 56 LEU HD11 . 17720 1
633 . 1 1 56 56 LEU HD12 H 1 1.449 0.020 . 2 . . . A 56 LEU HD12 . 17720 1
634 . 1 1 56 56 LEU HD13 H 1 1.449 0.020 . 2 . . . A 56 LEU HD13 . 17720 1
635 . 1 1 56 56 LEU HD21 H 1 0.820 0.020 . 2 . . . A 56 LEU HD21 . 17720 1
636 . 1 1 56 56 LEU HD22 H 1 0.820 0.020 . 2 . . . A 56 LEU HD22 . 17720 1
637 . 1 1 56 56 LEU HD23 H 1 0.820 0.020 . 2 . . . A 56 LEU HD23 . 17720 1
638 . 1 1 56 56 LEU C C 13 178.190 0.400 . 1 . . . A 56 LEU C . 17720 1
639 . 1 1 56 56 LEU CA C 13 55.690 0.400 . 1 . . . A 56 LEU CA . 17720 1
640 . 1 1 56 56 LEU CB C 13 42.047 0.400 . 1 . . . A 56 LEU CB . 17720 1
641 . 1 1 56 56 LEU CG C 13 26.497 0.400 . 1 . . . A 56 LEU CG . 17720 1
642 . 1 1 56 56 LEU CD1 C 13 22.240 0.400 . 1 . . . A 56 LEU CD1 . 17720 1
643 . 1 1 56 56 LEU CD2 C 13 25.434 0.400 . 1 . . . A 56 LEU CD2 . 17720 1
644 . 1 1 56 56 LEU N N 15 116.126 0.400 . 1 . . . A 56 LEU N . 17720 1
645 . 1 1 57 57 GLU H H 1 7.483 0.020 . 1 . . . A 57 GLU H . 17720 1
646 . 1 1 57 57 GLU HA H 1 4.085 0.020 . 1 . . . A 57 GLU HA . 17720 1
647 . 1 1 57 57 GLU HB2 H 1 2.053 0.020 . 2 . . . A 57 GLU HB2 . 17720 1
648 . 1 1 57 57 GLU HG2 H 1 2.430 0.020 . 2 . . . A 57 GLU HG2 . 17720 1
649 . 1 1 57 57 GLU HG3 H 1 2.267 0.020 . 2 . . . A 57 GLU HG3 . 17720 1
650 . 1 1 57 57 GLU C C 13 176.386 0.400 . 1 . . . A 57 GLU C . 17720 1
651 . 1 1 57 57 GLU CA C 13 57.706 0.400 . 1 . . . A 57 GLU CA . 17720 1
652 . 1 1 57 57 GLU CB C 13 30.134 0.400 . 1 . . . A 57 GLU CB . 17720 1
653 . 1 1 57 57 GLU CG C 13 36.340 0.400 . 1 . . . A 57 GLU CG . 17720 1
654 . 1 1 57 57 GLU N N 15 118.519 0.400 . 1 . . . A 57 GLU N . 17720 1
655 . 1 1 58 58 ASN H H 1 7.759 0.020 . 1 . . . A 58 ASN H . 17720 1
656 . 1 1 58 58 ASN HA H 1 4.924 0.020 . 1 . . . A 58 ASN HA . 17720 1
657 . 1 1 58 58 ASN HB2 H 1 2.827 0.020 . 2 . . . A 58 ASN HB2 . 17720 1
658 . 1 1 58 58 ASN HB3 H 1 2.668 0.020 . 2 . . . A 58 ASN HB3 . 17720 1
659 . 1 1 58 58 ASN HD21 H 1 6.910 0.020 . 2 . . . A 58 ASN HD21 . 17720 1
660 . 1 1 58 58 ASN HD22 H 1 7.587 0.020 . 2 . . . A 58 ASN HD22 . 17720 1
661 . 1 1 58 58 ASN CA C 13 51.196 0.400 . 1 . . . A 58 ASN CA . 17720 1
662 . 1 1 58 58 ASN CB C 13 38.856 0.400 . 1 . . . A 58 ASN CB . 17720 1
663 . 1 1 58 58 ASN N N 15 116.387 0.400 . 1 . . . A 58 ASN N . 17720 1
664 . 1 1 58 58 ASN ND2 N 15 112.997 0.400 . 1 . . . A 58 ASN ND2 . 17720 1
665 . 1 1 59 59 PRO HA H 1 4.127 0.020 . 1 . . . A 59 PRO HA . 17720 1
666 . 1 1 59 59 PRO HB2 H 1 1.837 0.020 . 2 . . . A 59 PRO HB2 . 17720 1
667 . 1 1 59 59 PRO HB3 H 1 2.036 0.020 . 2 . . . A 59 PRO HB3 . 17720 1
668 . 1 1 59 59 PRO HG2 H 1 1.891 0.020 . 2 . . . A 59 PRO HG2 . 17720 1
669 . 1 1 59 59 PRO HD2 H 1 3.640 0.020 . 2 . . . A 59 PRO HD2 . 17720 1
670 . 1 1 59 59 PRO C C 13 177.173 0.400 . 1 . . . A 59 PRO C . 17720 1
671 . 1 1 59 59 PRO CA C 13 63.866 0.400 . 1 . . . A 59 PRO CA . 17720 1
672 . 1 1 59 59 PRO CB C 13 31.817 0.400 . 1 . . . A 59 PRO CB . 17720 1
673 . 1 1 59 59 PRO CG C 13 26.994 0.400 . 1 . . . A 59 PRO CG . 17720 1
674 . 1 1 59 59 PRO CD C 13 50.420 0.400 . 1 . . . A 59 PRO CD . 17720 1
675 . 1 1 60 60 ALA H H 1 7.974 0.020 . 1 . . . A 60 ALA H . 17720 1
676 . 1 1 60 60 ALA HA H 1 4.212 0.020 . 1 . . . A 60 ALA HA . 17720 1
677 . 1 1 60 60 ALA HB1 H 1 1.339 0.020 . 1 . . . A 60 ALA HB1 . 17720 1
678 . 1 1 60 60 ALA HB2 H 1 1.339 0.020 . 1 . . . A 60 ALA HB2 . 17720 1
679 . 1 1 60 60 ALA HB3 H 1 1.339 0.020 . 1 . . . A 60 ALA HB3 . 17720 1
680 . 1 1 60 60 ALA C C 13 177.887 0.400 . 1 . . . A 60 ALA C . 17720 1
681 . 1 1 60 60 ALA CA C 13 52.837 0.400 . 1 . . . A 60 ALA CA . 17720 1
682 . 1 1 60 60 ALA CB C 13 18.932 0.400 . 1 . . . A 60 ALA CB . 17720 1
683 . 1 1 60 60 ALA N N 15 122.154 0.400 . 1 . . . A 60 ALA N . 17720 1
684 . 1 1 61 61 ASP H H 1 7.926 0.020 . 1 . . . A 61 ASP H . 17720 1
685 . 1 1 61 61 ASP HA H 1 4.580 0.020 . 1 . . . A 61 ASP HA . 17720 1
686 . 1 1 61 61 ASP HB2 H 1 2.700 0.020 . 2 . . . A 61 ASP HB2 . 17720 1
687 . 1 1 61 61 ASP HB3 H 1 2.600 0.020 . 2 . . . A 61 ASP HB3 . 17720 1
688 . 1 1 61 61 ASP C C 13 176.453 0.400 . 1 . . . A 61 ASP C . 17720 1
689 . 1 1 61 61 ASP CA C 13 54.529 0.400 . 1 . . . A 61 ASP CA . 17720 1
690 . 1 1 61 61 ASP CB C 13 40.916 0.400 . 1 . . . A 61 ASP CB . 17720 1
691 . 1 1 61 61 ASP N N 15 118.300 0.400 . 1 . . . A 61 ASP N . 17720 1
692 . 1 1 62 62 LEU H H 1 7.911 0.020 . 1 . . . A 62 LEU H . 17720 1
693 . 1 1 62 62 LEU HA H 1 4.179 0.020 . 1 . . . A 62 LEU HA . 17720 1
694 . 1 1 62 62 LEU HB2 H 1 1.575 0.020 . 2 . . . A 62 LEU HB2 . 17720 1
695 . 1 1 62 62 LEU HG H 1 1.570 0.020 . 1 . . . A 62 LEU HG . 17720 1
696 . 1 1 62 62 LEU HD11 H 1 0.744 0.020 . 2 . . . A 62 LEU HD11 . 17720 1
697 . 1 1 62 62 LEU HD12 H 1 0.744 0.020 . 2 . . . A 62 LEU HD12 . 17720 1
698 . 1 1 62 62 LEU HD13 H 1 0.744 0.020 . 2 . . . A 62 LEU HD13 . 17720 1
699 . 1 1 62 62 LEU HD21 H 1 0.810 0.020 . 2 . . . A 62 LEU HD21 . 17720 1
700 . 1 1 62 62 LEU HD22 H 1 0.810 0.020 . 2 . . . A 62 LEU HD22 . 17720 1
701 . 1 1 62 62 LEU HD23 H 1 0.810 0.020 . 2 . . . A 62 LEU HD23 . 17720 1
702 . 1 1 62 62 LEU C C 13 177.735 0.400 . 1 . . . A 62 LEU C . 17720 1
703 . 1 1 62 62 LEU CA C 13 55.607 0.400 . 1 . . . A 62 LEU CA . 17720 1
704 . 1 1 62 62 LEU CB C 13 42.044 0.400 . 1 . . . A 62 LEU CB . 17720 1
705 . 1 1 62 62 LEU CG C 13 27.069 0.400 . 1 . . . A 62 LEU CG . 17720 1
706 . 1 1 62 62 LEU CD1 C 13 23.334 0.400 . 1 . . . A 62 LEU CD1 . 17720 1
707 . 1 1 62 62 LEU CD2 C 13 25.419 0.400 . 1 . . . A 62 LEU CD2 . 17720 1
708 . 1 1 62 62 LEU N N 15 121.504 0.400 . 1 . . . A 62 LEU N . 17720 1
709 . 1 1 63 63 ASP H H 1 8.100 0.020 . 1 . . . A 63 ASP H . 17720 1
710 . 1 1 63 63 ASP HA H 1 4.166 0.020 . 1 . . . A 63 ASP HA . 17720 1
711 . 1 1 63 63 ASP HB2 H 1 1.877 0.020 . 2 . . . A 63 ASP HB2 . 17720 1
712 . 1 1 63 63 ASP C C 13 173.886 0.400 . 1 . . . A 63 ASP C . 17720 1
713 . 1 1 63 63 ASP N N 15 119.213 0.400 . 1 . . . A 63 ASP N . 17720 1
stop_
save_