###################################
# 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 50160
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '1H, 13C, 15N'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1_Solution
_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 '1 H- 15 N HSQC' . . . 50160 1
2 '1 H- 13 C HSQC' . . . 50160 1
3 '3D HNCACB' . . . 50160 1
4 '3D CBCACONH' . . . 50160 1
5 '3D HNCA' . . . 50160 1
6 '3D HN(CO)CA' . . . 50160 1
7 '3D HNHAHB' . . . 50160 1
8 '3D HBHA(CO)NH' . . . 50160 1
9 '3D 13 C-edited HCCH-TOCSY' . . . 50160 1
10 '3D H(CCO)NH-TOCSY' . . . 50160 1
11 '3D 15 N-edited HSQC-TOCSY' . . . 50160 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 8.972 0.013 . 1 . . . . . 1 MET H . 50160 1
2 . 1 . 1 1 1 MET HA H 1 4.352 0.008 . 1 . . . . . 1 MET HA . 50160 1
3 . 1 . 1 1 1 MET HB2 H 1 2.579 0.008 . 2 . . . . . 1 MET HB2 . 50160 1
4 . 1 . 1 1 1 MET HB3 H 1 2.579 0.008 . 2 . . . . . 1 MET HB3 . 50160 1
5 . 1 . 1 1 1 MET HG2 H 1 2.652 0.003 . 2 . . . . . 1 MET HG2 . 50160 1
6 . 1 . 1 1 1 MET HG3 H 1 2.652 0.003 . 2 . . . . . 1 MET HG3 . 50160 1
7 . 1 . 1 1 1 MET CA C 13 57.365 0.120 . 1 . . . . . 1 MET CA . 50160 1
8 . 1 . 1 1 1 MET CB C 13 33.709 0.055 . 1 . . . . . 1 MET CB . 50160 1
9 . 1 . 1 1 1 MET N N 15 122.383 0.065 . 1 . . . . . 1 MET N . 50160 1
10 . 1 . 1 2 2 ILE H H 1 7.695 0.008 . 1 . . . . . 2 ILE H . 50160 1
11 . 1 . 1 2 2 ILE HA H 1 4.447 0.007 . 1 . . . . . 2 ILE HA . 50160 1
12 . 1 . 1 2 2 ILE HB H 1 1.829 0.006 . 1 . . . . . 2 ILE HB . 50160 1
13 . 1 . 1 2 2 ILE HG12 H 1 1.544 0.007 . 2 . . . . . 2 ILE HG12 . 50160 1
14 . 1 . 1 2 2 ILE HG13 H 1 1.544 0.007 . 2 . . . . . 2 ILE HG13 . 50160 1
15 . 1 . 1 2 2 ILE HG21 H 1 1.192 0.011 . 1 . . . . . 2 ILE QG2 . 50160 1
16 . 1 . 1 2 2 ILE HG22 H 1 1.192 0.011 . 1 . . . . . 2 ILE QG2 . 50160 1
17 . 1 . 1 2 2 ILE HG23 H 1 1.192 0.011 . 1 . . . . . 2 ILE QG2 . 50160 1
18 . 1 . 1 2 2 ILE HD11 H 1 0.918 0.012 . 1 . . . . . 2 ILE QD1 . 50160 1
19 . 1 . 1 2 2 ILE HD12 H 1 0.918 0.012 . 1 . . . . . 2 ILE QD1 . 50160 1
20 . 1 . 1 2 2 ILE HD13 H 1 0.918 0.012 . 1 . . . . . 2 ILE QD1 . 50160 1
21 . 1 . 1 2 2 ILE CA C 13 59.753 0.084 . 1 . . . . . 2 ILE CA . 50160 1
22 . 1 . 1 2 2 ILE CB C 13 39.988 0.050 . 1 . . . . . 2 ILE CB . 50160 1
23 . 1 . 1 2 2 ILE N N 15 115.770 0.077 . 1 . . . . . 2 ILE N . 50160 1
24 . 1 . 1 3 3 SER H H 1 8.713 0.011 . 1 . . . . . 3 SER H . 50160 1
25 . 1 . 1 3 3 SER HA H 1 4.335 0.013 . 1 . . . . . 3 SER HA . 50160 1
26 . 1 . 1 3 3 SER HB2 H 1 3.979 0.009 . 2 . . . . . 3 SER HB2 . 50160 1
27 . 1 . 1 3 3 SER HB3 H 1 3.979 0.009 . 2 . . . . . 3 SER HB3 . 50160 1
28 . 1 . 1 3 3 SER CA C 13 57.656 0.005 . 1 . . . . . 3 SER CA . 50160 1
29 . 1 . 1 3 3 SER CB C 13 65.310 0.013 . 1 . . . . . 3 SER CB . 50160 1
30 . 1 . 1 3 3 SER N N 15 121.570 0.042 . 1 . . . . . 3 SER N . 50160 1
31 . 1 . 1 4 4 ASP H H 1 8.802 0.012 . 1 . . . . . 4 ASP H . 50160 1
32 . 1 . 1 4 4 ASP HA H 1 4.523 0.019 . 1 . . . . . 4 ASP HA . 50160 1
33 . 1 . 1 4 4 ASP HB2 H 1 2.647 0.021 . 2 . . . . . 4 ASP HB2 . 50160 1
34 . 1 . 1 4 4 ASP HB3 H 1 2.647 0.021 . 2 . . . . . 4 ASP HB3 . 50160 1
35 . 1 . 1 4 4 ASP CA C 13 57.626 0.009 . 1 . . . . . 4 ASP CA . 50160 1
36 . 1 . 1 4 4 ASP CB C 13 40.466 0.117 . 1 . . . . . 4 ASP CB . 50160 1
37 . 1 . 1 4 4 ASP N N 15 122.050 0.031 . 1 . . . . . 4 ASP N . 50160 1
38 . 1 . 1 5 5 GLU H H 1 8.686 0.011 . 1 . . . . . 5 GLU H . 50160 1
39 . 1 . 1 5 5 GLU HA H 1 4.095 0.007 . 1 . . . . . 5 GLU HA . 50160 1
40 . 1 . 1 5 5 GLU HB2 H 1 2.052 0.022 . 2 . . . . . 5 GLU HB2 . 50160 1
41 . 1 . 1 5 5 GLU HB3 H 1 2.052 0.022 . 2 . . . . . 5 GLU HB3 . 50160 1
42 . 1 . 1 5 5 GLU HG2 H 1 2.356 0.020 . 2 . . . . . 5 GLU HG2 . 50160 1
43 . 1 . 1 5 5 GLU HG3 H 1 2.356 0.020 . 2 . . . . . 5 GLU HG3 . 50160 1
44 . 1 . 1 5 5 GLU CA C 13 59.855 0.065 . 1 . . . . . 5 GLU CA . 50160 1
45 . 1 . 1 5 5 GLU CB C 13 29.438 0.007 . 1 . . . . . 5 GLU CB . 50160 1
46 . 1 . 1 5 5 GLU N N 15 119.632 0.066 . 1 . . . . . 5 GLU N . 50160 1
47 . 1 . 1 6 6 GLN H H 1 7.878 0.009 . 1 . . . . . 6 GLN H . 50160 1
48 . 1 . 1 6 6 GLN HA H 1 4.125 0.006 . 1 . . . . . 6 GLN HA . 50160 1
49 . 1 . 1 6 6 GLN HB2 H 1 2.412 0.000 . 2 . . . . . 6 GLN HB2 . 50160 1
50 . 1 . 1 6 6 GLN HB3 H 1 2.412 0.000 . 2 . . . . . 6 GLN HB3 . 50160 1
51 . 1 . 1 6 6 GLN HG2 H 1 3.063 0.000 . 2 . . . . . 6 GLN HG2 . 50160 1
52 . 1 . 1 6 6 GLN HG3 H 1 3.063 0.000 . 2 . . . . . 6 GLN HG3 . 50160 1
53 . 1 . 1 6 6 GLN CA C 13 58.719 0.027 . 1 . . . . . 6 GLN CA . 50160 1
54 . 1 . 1 6 6 GLN CB C 13 28.980 0.041 . 1 . . . . . 6 GLN CB . 50160 1
55 . 1 . 1 6 6 GLN N N 15 120.224 0.035 . 1 . . . . . 6 GLN N . 50160 1
56 . 1 . 1 7 7 LEU H H 1 8.343 0.020 . 1 . . . . . 7 LEU H . 50160 1
57 . 1 . 1 7 7 LEU HA H 1 4.032 0.015 . 1 . . . . . 7 LEU HA . 50160 1
58 . 1 . 1 7 7 LEU HB2 H 1 1.743 0.014 . 2 . . . . . 7 LEU HB2 . 50160 1
59 . 1 . 1 7 7 LEU HB3 H 1 1.743 0.014 . 2 . . . . . 7 LEU HB3 . 50160 1
60 . 1 . 1 7 7 LEU HG H 1 1.446 0.000 . 1 . . . . . 7 LEU HG . 50160 1
61 . 1 . 1 7 7 LEU HD11 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD1 . 50160 1
62 . 1 . 1 7 7 LEU HD12 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD1 . 50160 1
63 . 1 . 1 7 7 LEU HD13 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD1 . 50160 1
64 . 1 . 1 7 7 LEU HD21 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD2 . 50160 1
65 . 1 . 1 7 7 LEU HD22 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD2 . 50160 1
66 . 1 . 1 7 7 LEU HD23 H 1 0.899 0.007 . 2 . . . . . 7 LEU QD2 . 50160 1
67 . 1 . 1 7 7 LEU CA C 13 58.342 0.131 . 1 . . . . . 7 LEU CA . 50160 1
68 . 1 . 1 7 7 LEU CB C 13 41.330 0.029 . 1 . . . . . 7 LEU CB . 50160 1
69 . 1 . 1 7 7 LEU N N 15 120.563 0.017 . 1 . . . . . 7 LEU N . 50160 1
70 . 1 . 1 8 8 ASN H H 1 8.227 0.012 . 1 . . . . . 8 ASN H . 50160 1
71 . 1 . 1 8 8 ASN HA H 1 4.431 0.008 . 1 . . . . . 8 ASN HA . 50160 1
72 . 1 . 1 8 8 ASN HB2 H 1 2.858 0.017 . 2 . . . . . 8 ASN HB2 . 50160 1
73 . 1 . 1 8 8 ASN HB3 H 1 2.858 0.017 . 2 . . . . . 8 ASN HB3 . 50160 1
74 . 1 . 1 8 8 ASN CA C 13 56.489 0.012 . 1 . . . . . 8 ASN CA . 50160 1
75 . 1 . 1 8 8 ASN CB C 13 38.799 0.050 . 1 . . . . . 8 ASN CB . 50160 1
76 . 1 . 1 8 8 ASN N N 15 117.175 0.064 . 1 . . . . . 8 ASN N . 50160 1
77 . 1 . 1 9 9 SER H H 1 7.915 0.010 . 1 . . . . . 9 SER H . 50160 1
78 . 1 . 1 9 9 SER HA H 1 4.264 0.004 . 1 . . . . . 9 SER HA . 50160 1
79 . 1 . 1 9 9 SER HB2 H 1 4.030 0.004 . 2 . . . . . 9 SER HB2 . 50160 1
80 . 1 . 1 9 9 SER HB3 H 1 4.030 0.004 . 2 . . . . . 9 SER HB3 . 50160 1
81 . 1 . 1 9 9 SER CA C 13 61.742 0.033 . 1 . . . . . 9 SER CA . 50160 1
82 . 1 . 1 9 9 SER CB C 13 62.921 0.003 . 1 . . . . . 9 SER CB . 50160 1
83 . 1 . 1 9 9 SER N N 15 114.430 0.035 . 1 . . . . . 9 SER N . 50160 1
84 . 1 . 1 10 10 LEU H H 1 8.293 0.010 . 1 . . . . . 10 LEU H . 50160 1
85 . 1 . 1 10 10 LEU HA H 1 4.050 0.026 . 1 . . . . . 10 LEU HA . 50160 1
86 . 1 . 1 10 10 LEU HB2 H 1 1.932 0.016 . 2 . . . . . 10 LEU HB2 . 50160 1
87 . 1 . 1 10 10 LEU HB3 H 1 1.932 0.016 . 2 . . . . . 10 LEU HB3 . 50160 1
88 . 1 . 1 10 10 LEU HG H 1 1.587 0.004 . 1 . . . . . 10 LEU HG . 50160 1
89 . 1 . 1 10 10 LEU HD11 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD1 . 50160 1
90 . 1 . 1 10 10 LEU HD12 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD1 . 50160 1
91 . 1 . 1 10 10 LEU HD13 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD1 . 50160 1
92 . 1 . 1 10 10 LEU HD21 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD2 . 50160 1
93 . 1 . 1 10 10 LEU HD22 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD2 . 50160 1
94 . 1 . 1 10 10 LEU HD23 H 1 0.856 0.000 . 2 . . . . . 10 LEU QD2 . 50160 1
95 . 1 . 1 10 10 LEU CA C 13 58.332 0.166 . 1 . . . . . 10 LEU CA . 50160 1
96 . 1 . 1 10 10 LEU CB C 13 41.918 0.058 . 1 . . . . . 10 LEU CB . 50160 1
97 . 1 . 1 10 10 LEU N N 15 123.137 0.026 . 1 . . . . . 10 LEU N . 50160 1
98 . 1 . 1 11 11 ALA H H 1 8.354 0.007 . 1 . . . . . 11 ALA H . 50160 1
99 . 1 . 1 11 11 ALA HA H 1 4.027 0.017 . 1 . . . . . 11 ALA HA . 50160 1
100 . 1 . 1 11 11 ALA HB1 H 1 1.580 0.010 . 1 . . . . . 11 ALA HB . 50160 1
101 . 1 . 1 11 11 ALA HB2 H 1 1.580 0.010 . 1 . . . . . 11 ALA HB . 50160 1
102 . 1 . 1 11 11 ALA HB3 H 1 1.580 0.010 . 1 . . . . . 11 ALA HB . 50160 1
103 . 1 . 1 11 11 ALA CA C 13 55.803 0.091 . 1 . . . . . 11 ALA CA . 50160 1
104 . 1 . 1 11 11 ALA CB C 13 18.382 0.020 . 1 . . . . . 11 ALA CB . 50160 1
105 . 1 . 1 11 11 ALA N N 15 121.402 0.044 . 1 . . . . . 11 ALA N . 50160 1
106 . 1 . 1 12 12 ILE H H 1 8.003 0.021 . 1 . . . . . 12 ILE H . 50160 1
107 . 1 . 1 12 12 ILE HA H 1 4.011 0.016 . 1 . . . . . 12 ILE HA . 50160 1
108 . 1 . 1 12 12 ILE HB H 1 2.063 0.016 . 1 . . . . . 12 ILE HB . 50160 1
109 . 1 . 1 12 12 ILE HG12 H 1 1.799 0.014 . 2 . . . . . 12 ILE HG12 . 50160 1
110 . 1 . 1 12 12 ILE HG13 H 1 1.799 0.014 . 2 . . . . . 12 ILE HG13 . 50160 1
111 . 1 . 1 12 12 ILE HG21 H 1 1.270 0.011 . 1 . . . . . 12 ILE QG2 . 50160 1
112 . 1 . 1 12 12 ILE HG22 H 1 1.270 0.011 . 1 . . . . . 12 ILE QG2 . 50160 1
113 . 1 . 1 12 12 ILE HG23 H 1 1.270 0.011 . 1 . . . . . 12 ILE QG2 . 50160 1
114 . 1 . 1 12 12 ILE HD11 H 1 0.939 0.004 . 1 . . . . . 12 ILE QD1 . 50160 1
115 . 1 . 1 12 12 ILE HD12 H 1 0.939 0.004 . 1 . . . . . 12 ILE QD1 . 50160 1
116 . 1 . 1 12 12 ILE HD13 H 1 0.939 0.004 . 1 . . . . . 12 ILE QD1 . 50160 1
117 . 1 . 1 12 12 ILE CA C 13 59.411 0.000 . 1 . . . . . 12 ILE CA . 50160 1
118 . 1 . 1 12 12 ILE CB C 13 38.152 0.047 . 1 . . . . . 12 ILE CB . 50160 1
119 . 1 . 1 12 12 ILE N N 15 118.362 0.041 . 1 . . . . . 12 ILE N . 50160 1
120 . 1 . 1 13 13 THR H H 1 7.969 0.022 . 1 . . . . . 13 THR H . 50160 1
121 . 1 . 1 13 13 THR HA H 1 4.251 0.014 . 1 . . . . . 13 THR HA . 50160 1
122 . 1 . 1 13 13 THR HG21 H 1 1.765 0.006 . 1 . . . . . 13 THR QG2 . 50160 1
123 . 1 . 1 13 13 THR HG22 H 1 1.765 0.006 . 1 . . . . . 13 THR QG2 . 50160 1
124 . 1 . 1 13 13 THR HG23 H 1 1.765 0.006 . 1 . . . . . 13 THR QG2 . 50160 1
125 . 1 . 1 13 13 THR CB C 13 67.518 0.000 . 1 . . . . . 13 THR CB . 50160 1
126 . 1 . 1 13 13 THR N N 15 114.934 0.036 . 1 . . . . . 13 THR N . 50160 1
127 . 1 . 1 14 14 PHE H H 1 8.963 0.009 . 1 . . . . . 14 PHE H . 50160 1
128 . 1 . 1 14 14 PHE HA H 1 3.169 0.011 . 1 . . . . . 14 PHE HA . 50160 1
129 . 1 . 1 14 14 PHE HB2 H 1 2.696 0.000 . 2 . . . . . 14 PHE HB2 . 50160 1
130 . 1 . 1 14 14 PHE HB3 H 1 2.696 0.000 . 2 . . . . . 14 PHE HB3 . 50160 1
131 . 1 . 1 14 14 PHE CA C 13 61.712 0.035 . 1 . . . . . 14 PHE CA . 50160 1
132 . 1 . 1 14 14 PHE CB C 13 38.942 0.040 . 1 . . . . . 14 PHE CB . 50160 1
133 . 1 . 1 14 14 PHE N N 15 120.496 0.032 . 1 . . . . . 14 PHE N . 50160 1
134 . 1 . 1 15 15 GLY H H 1 8.300 0.012 . 1 . . . . . 15 GLY H . 50160 1
135 . 1 . 1 15 15 GLY HA2 H 1 4.005 0.011 . 2 . . . . . 15 GLY HA2 . 50160 1
136 . 1 . 1 15 15 GLY HA3 H 1 3.712 0.006 . 2 . . . . . 15 GLY HA3 . 50160 1
137 . 1 . 1 15 15 GLY CA C 13 47.794 0.041 . 1 . . . . . 15 GLY CA . 50160 1
138 . 1 . 1 15 15 GLY N N 15 106.719 0.045 . 1 . . . . . 15 GLY N . 50160 1
139 . 1 . 1 16 16 ILE H H 1 7.932 0.008 . 1 . . . . . 16 ILE H . 50160 1
140 . 1 . 1 16 16 ILE HA H 1 3.862 0.021 . 1 . . . . . 16 ILE HA . 50160 1
141 . 1 . 1 16 16 ILE HB H 1 2.072 0.017 . 1 . . . . . 16 ILE HB . 50160 1
142 . 1 . 1 16 16 ILE HG21 H 1 1.179 0.030 . 1 . . . . . 16 ILE QG2 . 50160 1
143 . 1 . 1 16 16 ILE HG22 H 1 1.179 0.030 . 1 . . . . . 16 ILE QG2 . 50160 1
144 . 1 . 1 16 16 ILE HG23 H 1 1.179 0.030 . 1 . . . . . 16 ILE QG2 . 50160 1
145 . 1 . 1 16 16 ILE HD11 H 1 0.929 0.014 . 1 . . . . . 16 ILE QD1 . 50160 1
146 . 1 . 1 16 16 ILE HD12 H 1 0.929 0.014 . 1 . . . . . 16 ILE QD1 . 50160 1
147 . 1 . 1 16 16 ILE HD13 H 1 0.929 0.014 . 1 . . . . . 16 ILE QD1 . 50160 1
148 . 1 . 1 16 16 ILE CA C 13 64.792 0.111 . 1 . . . . . 16 ILE CA . 50160 1
149 . 1 . 1 16 16 ILE N N 15 122.078 0.060 . 1 . . . . . 16 ILE N . 50160 1
150 . 1 . 1 17 17 VAL H H 1 8.281 0.009 . 1 . . . . . 17 VAL H . 50160 1
151 . 1 . 1 17 17 VAL HA H 1 3.514 0.009 . 1 . . . . . 17 VAL HA . 50160 1
152 . 1 . 1 17 17 VAL HB H 1 2.229 0.009 . 1 . . . . . 17 VAL HB . 50160 1
153 . 1 . 1 17 17 VAL HG11 H 1 0.874 0.011 . 2 . . . . . 17 VAL QG1 . 50160 1
154 . 1 . 1 17 17 VAL HG12 H 1 0.874 0.011 . 2 . . . . . 17 VAL QG1 . 50160 1
155 . 1 . 1 17 17 VAL HG13 H 1 0.874 0.011 . 2 . . . . . 17 VAL QG1 . 50160 1
156 . 1 . 1 17 17 VAL HG21 H 1 1.038 0.017 . 2 . . . . . 17 VAL QG2 . 50160 1
157 . 1 . 1 17 17 VAL HG22 H 1 1.038 0.017 . 2 . . . . . 17 VAL QG2 . 50160 1
158 . 1 . 1 17 17 VAL HG23 H 1 1.038 0.017 . 2 . . . . . 17 VAL QG2 . 50160 1
159 . 1 . 1 17 17 VAL CA C 13 67.096 0.033 . 1 . . . . . 17 VAL CA . 50160 1
160 . 1 . 1 17 17 VAL CB C 13 31.481 0.123 . 1 . . . . . 17 VAL CB . 50160 1
161 . 1 . 1 17 17 VAL CG1 C 13 21.285 0.028 . 1 . . . . . 17 VAL CG1 . 50160 1
162 . 1 . 1 17 17 VAL N N 15 122.677 0.028 . 1 . . . . . 17 VAL N . 50160 1
163 . 1 . 1 18 18 MET H H 1 8.443 0.006 . 1 . . . . . 18 MET H . 50160 1
164 . 1 . 1 18 18 MET HA H 1 4.091 0.027 . 1 . . . . . 18 MET HA . 50160 1
165 . 1 . 1 18 18 MET HB2 H 1 1.962 0.020 . 2 . . . . . 18 MET HB2 . 50160 1
166 . 1 . 1 18 18 MET HB3 H 1 1.962 0.020 . 2 . . . . . 18 MET HB3 . 50160 1
167 . 1 . 1 18 18 MET HG2 H 1 2.286 0.013 . 2 . . . . . 18 MET HG2 . 50160 1
168 . 1 . 1 18 18 MET HG3 H 1 2.286 0.013 . 2 . . . . . 18 MET HG3 . 50160 1
169 . 1 . 1 18 18 MET CA C 13 58.451 0.028 . 1 . . . . . 18 MET CA . 50160 1
170 . 1 . 1 18 18 MET CB C 13 31.873 0.032 . 1 . . . . . 18 MET CB . 50160 1
171 . 1 . 1 18 18 MET CG C 13 32.111 0.029 . 1 . . . . . 18 MET CG . 50160 1
172 . 1 . 1 18 18 MET N N 15 117.751 0.079 . 1 . . . . . 18 MET N . 50160 1
173 . 1 . 1 19 19 MET H H 1 8.170 0.013 . 1 . . . . . 19 MET H . 50160 1
174 . 1 . 1 19 19 MET HA H 1 4.181 0.011 . 1 . . . . . 19 MET HA . 50160 1
175 . 1 . 1 19 19 MET HB2 H 1 2.199 0.011 . 2 . . . . . 19 MET HB2 . 50160 1
176 . 1 . 1 19 19 MET HB3 H 1 2.199 0.011 . 2 . . . . . 19 MET HB3 . 50160 1
177 . 1 . 1 19 19 MET HG2 H 1 2.699 0.013 . 2 . . . . . 19 MET HG2 . 50160 1
178 . 1 . 1 19 19 MET HG3 H 1 2.699 0.013 . 2 . . . . . 19 MET HG3 . 50160 1
179 . 1 . 1 19 19 MET CA C 13 58.413 0.037 . 1 . . . . . 19 MET CA . 50160 1
180 . 1 . 1 19 19 MET CB C 13 32.031 0.079 . 1 . . . . . 19 MET CB . 50160 1
181 . 1 . 1 19 19 MET N N 15 116.210 0.065 . 1 . . . . . 19 MET N . 50160 1
182 . 1 . 1 20 20 THR H H 1 7.943 0.008 . 1 . . . . . 20 THR H . 50160 1
183 . 1 . 1 20 20 THR HA H 1 4.282 0.000 . 1 . . . . . 20 THR HA . 50160 1
184 . 1 . 1 20 20 THR HB H 1 4.382 0.009 . 1 . . . . . 20 THR HB . 50160 1
185 . 1 . 1 20 20 THR HG21 H 1 1.786 0.006 . 1 . . . . . 20 THR QG2 . 50160 1
186 . 1 . 1 20 20 THR HG22 H 1 1.786 0.006 . 1 . . . . . 20 THR QG2 . 50160 1
187 . 1 . 1 20 20 THR HG23 H 1 1.786 0.006 . 1 . . . . . 20 THR QG2 . 50160 1
188 . 1 . 1 20 20 THR CB C 13 67.041 0.000 . 1 . . . . . 20 THR CB . 50160 1
189 . 1 . 1 20 20 THR N N 15 116.639 0.047 . 1 . . . . . 20 THR N . 50160 1
190 . 1 . 1 21 21 LEU H H 1 8.230 0.011 . 1 . . . . . 21 LEU H . 50160 1
191 . 1 . 1 21 21 LEU HA H 1 4.023 0.015 . 1 . . . . . 21 LEU HA . 50160 1
192 . 1 . 1 21 21 LEU HB2 H 1 1.427 0.010 . 2 . . . . . 21 LEU HB2 . 50160 1
193 . 1 . 1 21 21 LEU HB3 H 1 1.427 0.010 . 2 . . . . . 21 LEU HB3 . 50160 1
194 . 1 . 1 21 21 LEU HG H 1 1.249 0.009 . 1 . . . . . 21 LEU HG . 50160 1
195 . 1 . 1 21 21 LEU HD11 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD1 . 50160 1
196 . 1 . 1 21 21 LEU HD12 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD1 . 50160 1
197 . 1 . 1 21 21 LEU HD13 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD1 . 50160 1
198 . 1 . 1 21 21 LEU HD21 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD2 . 50160 1
199 . 1 . 1 21 21 LEU HD22 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD2 . 50160 1
200 . 1 . 1 21 21 LEU HD23 H 1 0.838 0.016 . 2 . . . . . 21 LEU QD2 . 50160 1
201 . 1 . 1 21 21 LEU CA C 13 58.379 0.112 . 1 . . . . . 21 LEU CA . 50160 1
202 . 1 . 1 21 21 LEU CB C 13 41.272 0.051 . 1 . . . . . 21 LEU CB . 50160 1
203 . 1 . 1 21 21 LEU N N 15 121.081 0.037 . 1 . . . . . 21 LEU N . 50160 1
204 . 1 . 1 22 22 ILE H H 1 8.153 0.011 . 1 . . . . . 22 ILE H . 50160 1
205 . 1 . 1 22 22 ILE HA H 1 3.597 0.015 . 1 . . . . . 22 ILE HA . 50160 1
206 . 1 . 1 22 22 ILE HB H 1 1.828 0.012 . 1 . . . . . 22 ILE HB . 50160 1
207 . 1 . 1 22 22 ILE HD11 H 1 0.905 0.016 . 1 . . . . . 22 ILE QD1 . 50160 1
208 . 1 . 1 22 22 ILE HD12 H 1 0.905 0.016 . 1 . . . . . 22 ILE QD1 . 50160 1
209 . 1 . 1 22 22 ILE HD13 H 1 0.905 0.016 . 1 . . . . . 22 ILE QD1 . 50160 1
210 . 1 . 1 22 22 ILE CA C 13 65.745 0.040 . 1 . . . . . 22 ILE CA . 50160 1
211 . 1 . 1 22 22 ILE CB C 13 37.809 0.077 . 1 . . . . . 22 ILE CB . 50160 1
212 . 1 . 1 22 22 ILE N N 15 119.199 0.052 . 1 . . . . . 22 ILE N . 50160 1
213 . 1 . 1 23 23 ASP H H 1 7.853 0.016 . 1 . . . . . 23 ASP H . 50160 1
214 . 1 . 1 23 23 ASP HA H 1 4.269 0.008 . 1 . . . . . 23 ASP HA . 50160 1
215 . 1 . 1 23 23 ASP HB2 H 1 1.547 0.000 . 2 . . . . . 23 ASP HB2 . 50160 1
216 . 1 . 1 23 23 ASP HB3 H 1 1.547 0.000 . 2 . . . . . 23 ASP HB3 . 50160 1
217 . 1 . 1 23 23 ASP CA C 13 57.799 0.002 . 1 . . . . . 23 ASP CA . 50160 1
218 . 1 . 1 23 23 ASP CB C 13 40.525 0.124 . 1 . . . . . 23 ASP CB . 50160 1
219 . 1 . 1 23 23 ASP N N 15 120.548 0.043 . 1 . . . . . 23 ASP N . 50160 1
220 . 1 . 1 24 24 ILE H H 1 8.294 0.012 . 1 . . . . . 24 ILE H . 50160 1
221 . 1 . 1 24 24 ILE HA H 1 3.761 0.013 . 1 . . . . . 24 ILE HA . 50160 1
222 . 1 . 1 24 24 ILE HB H 1 2.036 0.017 . 1 . . . . . 24 ILE HB . 50160 1
223 . 1 . 1 24 24 ILE HG12 H 1 1.569 0.014 . 2 . . . . . 24 ILE HG12 . 50160 1
224 . 1 . 1 24 24 ILE HG13 H 1 1.569 0.014 . 2 . . . . . 24 ILE HG13 . 50160 1
225 . 1 . 1 24 24 ILE HG21 H 1 1.268 0.000 . 1 . . . . . 24 ILE QG2 . 50160 1
226 . 1 . 1 24 24 ILE HG22 H 1 1.268 0.000 . 1 . . . . . 24 ILE QG2 . 50160 1
227 . 1 . 1 24 24 ILE HG23 H 1 1.268 0.000 . 1 . . . . . 24 ILE QG2 . 50160 1
228 . 1 . 1 24 24 ILE HD11 H 1 0.883 0.011 . 1 . . . . . 24 ILE QD1 . 50160 1
229 . 1 . 1 24 24 ILE HD12 H 1 0.883 0.011 . 1 . . . . . 24 ILE QD1 . 50160 1
230 . 1 . 1 24 24 ILE HD13 H 1 0.883 0.011 . 1 . . . . . 24 ILE QD1 . 50160 1
231 . 1 . 1 24 24 ILE CA C 13 65.267 0.002 . 1 . . . . . 24 ILE CA . 50160 1
232 . 1 . 1 24 24 ILE CB C 13 37.918 0.170 . 1 . . . . . 24 ILE CB . 50160 1
233 . 1 . 1 24 24 ILE N N 15 121.190 0.095 . 1 . . . . . 24 ILE N . 50160 1
234 . 1 . 1 25 25 TYR H H 1 8.498 0.010 . 1 . . . . . 25 TYR H . 50160 1
235 . 1 . 1 25 25 TYR HA H 1 4.131 0.018 . 1 . . . . . 25 TYR HA . 50160 1
236 . 1 . 1 25 25 TYR HB2 H 1 3.216 0.023 . 2 . . . . . 25 TYR HB2 . 50160 1
237 . 1 . 1 25 25 TYR HB3 H 1 3.216 0.023 . 2 . . . . . 25 TYR HB3 . 50160 1
238 . 1 . 1 25 25 TYR CA C 13 61.694 0.084 . 1 . . . . . 25 TYR CA . 50160 1
239 . 1 . 1 25 25 TYR CB C 13 38.487 0.299 . 1 . . . . . 25 TYR CB . 50160 1
240 . 1 . 1 25 25 TYR N N 15 120.678 0.040 . 1 . . . . . 25 TYR N . 50160 1
241 . 1 . 1 26 26 HIS H H 1 8.357 0.015 . 1 . . . . . 26 HIS H . 50160 1
242 . 1 . 1 26 26 HIS HA H 1 4.042 0.022 . 1 . . . . . 26 HIS HA . 50160 1
243 . 1 . 1 26 26 HIS HB2 H 1 3.004 0.014 . 2 . . . . . 26 HIS HB2 . 50160 1
244 . 1 . 1 26 26 HIS HB3 H 1 3.004 0.014 . 2 . . . . . 26 HIS HB3 . 50160 1
245 . 1 . 1 26 26 HIS CA C 13 58.438 0.351 . 1 . . . . . 26 HIS CA . 50160 1
246 . 1 . 1 26 26 HIS CB C 13 28.994 0.025 . 1 . . . . . 26 HIS CB . 50160 1
247 . 1 . 1 26 26 HIS N N 15 115.110 0.077 . 1 . . . . . 26 HIS N . 50160 1
248 . 1 . 1 27 27 ALA H H 1 8.033 0.017 . 1 . . . . . 27 ALA H . 50160 1
249 . 1 . 1 27 27 ALA HA H 1 4.302 0.011 . 1 . . . . . 27 ALA HA . 50160 1
250 . 1 . 1 27 27 ALA HB1 H 1 1.551 0.012 . 1 . . . . . 27 ALA HB . 50160 1
251 . 1 . 1 27 27 ALA HB2 H 1 1.551 0.012 . 1 . . . . . 27 ALA HB . 50160 1
252 . 1 . 1 27 27 ALA HB3 H 1 1.551 0.012 . 1 . . . . . 27 ALA HB . 50160 1
253 . 1 . 1 27 27 ALA CA C 13 54.208 0.026 . 1 . . . . . 27 ALA CA . 50160 1
254 . 1 . 1 27 27 ALA CB C 13 18.992 0.106 . 1 . . . . . 27 ALA CB . 50160 1
255 . 1 . 1 27 27 ALA N N 15 122.845 0.093 . 1 . . . . . 27 ALA N . 50160 1
256 . 1 . 1 28 28 VAL H H 1 8.047 0.014 . 1 . . . . . 28 VAL H . 50160 1
257 . 1 . 1 28 28 VAL HA H 1 4.417 0.014 . 1 . . . . . 28 VAL HA . 50160 1
258 . 1 . 1 28 28 VAL HB H 1 2.136 0.008 . 1 . . . . . 28 VAL HB . 50160 1
259 . 1 . 1 28 28 VAL HG11 H 1 1.007 0.020 . 2 . . . . . 28 VAL QG1 . 50160 1
260 . 1 . 1 28 28 VAL HG12 H 1 1.007 0.020 . 2 . . . . . 28 VAL QG1 . 50160 1
261 . 1 . 1 28 28 VAL HG13 H 1 1.007 0.020 . 2 . . . . . 28 VAL QG1 . 50160 1
262 . 1 . 1 28 28 VAL HG21 H 1 0.935 0.007 . 2 . . . . . 28 VAL QG2 . 50160 1
263 . 1 . 1 28 28 VAL HG22 H 1 0.935 0.007 . 2 . . . . . 28 VAL QG2 . 50160 1
264 . 1 . 1 28 28 VAL HG23 H 1 0.935 0.007 . 2 . . . . . 28 VAL QG2 . 50160 1
265 . 1 . 1 28 28 VAL CA C 13 64.676 0.029 . 1 . . . . . 28 VAL CA . 50160 1
266 . 1 . 1 28 28 VAL CB C 13 31.849 0.169 . 1 . . . . . 28 VAL CB . 50160 1
267 . 1 . 1 28 28 VAL CG1 C 13 22.250 0.000 . 1 . . . . . 28 VAL CG1 . 50160 1
268 . 1 . 1 28 28 VAL CG2 C 13 22.250 0.000 . 1 . . . . . 28 VAL CG2 . 50160 1
269 . 1 . 1 28 28 VAL N N 15 117.825 0.048 . 1 . . . . . 28 VAL N . 50160 1
270 . 1 . 1 29 29 ASP H H 1 8.284 0.016 . 1 . . . . . 29 ASP H . 50160 1
271 . 1 . 1 29 29 ASP HA H 1 4.358 0.032 . 1 . . . . . 29 ASP HA . 50160 1
272 . 1 . 1 29 29 ASP HB2 H 1 2.564 0.009 . 2 . . . . . 29 ASP HB2 . 50160 1
273 . 1 . 1 29 29 ASP HB3 H 1 2.417 0.005 . 2 . . . . . 29 ASP HB3 . 50160 1
274 . 1 . 1 29 29 ASP CA C 13 56.050 0.127 . 1 . . . . . 29 ASP CA . 50160 1
275 . 1 . 1 29 29 ASP CB C 13 41.846 0.006 . 1 . . . . . 29 ASP CB . 50160 1
276 . 1 . 1 29 29 ASP N N 15 121.444 0.079 . 1 . . . . . 29 ASP N . 50160 1
277 . 1 . 1 30 30 SER H H 1 8.112 0.017 . 1 . . . . . 30 SER H . 50160 1
278 . 1 . 1 30 30 SER HA H 1 3.946 0.021 . 1 . . . . . 30 SER HA . 50160 1
279 . 1 . 1 30 30 SER HB2 H 1 4.312 0.000 . 2 . . . . . 30 SER HB2 . 50160 1
280 . 1 . 1 30 30 SER HB3 H 1 4.312 0.000 . 2 . . . . . 30 SER HB3 . 50160 1
281 . 1 . 1 30 30 SER CA C 13 60.037 0.001 . 1 . . . . . 30 SER CA . 50160 1
282 . 1 . 1 30 30 SER CB C 13 63.506 0.020 . 1 . . . . . 30 SER CB . 50160 1
283 . 1 . 1 30 30 SER N N 15 113.709 0.076 . 1 . . . . . 30 SER N . 50160 1
284 . 1 . 1 31 31 THR H H 1 7.937 0.017 . 1 . . . . . 31 THR H . 50160 1
285 . 1 . 1 31 31 THR HA H 1 4.248 0.024 . 1 . . . . . 31 THR HA . 50160 1
286 . 1 . 1 31 31 THR HG21 H 1 2.659 0.000 . 1 . . . . . 31 THR QG2 . 50160 1
287 . 1 . 1 31 31 THR HG22 H 1 2.659 0.000 . 1 . . . . . 31 THR QG2 . 50160 1
288 . 1 . 1 31 31 THR HG23 H 1 2.659 0.000 . 1 . . . . . 31 THR QG2 . 50160 1
289 . 1 . 1 31 31 THR CA C 13 64.028 0.025 . 1 . . . . . 31 THR CA . 50160 1
290 . 1 . 1 31 31 THR CB C 13 69.435 0.040 . 1 . . . . . 31 THR CB . 50160 1
291 . 1 . 1 31 31 THR N N 15 115.090 0.069 . 1 . . . . . 31 THR N . 50160 1
292 . 1 . 1 32 32 MET H H 1 8.008 0.018 . 1 . . . . . 32 MET H . 50160 1
293 . 1 . 1 32 32 MET HA H 1 4.444 0.005 . 1 . . . . . 32 MET HA . 50160 1
294 . 1 . 1 32 32 MET HB2 H 1 2.583 0.000 . 2 . . . . . 32 MET HB2 . 50160 1
295 . 1 . 1 32 32 MET HB3 H 1 2.583 0.000 . 2 . . . . . 32 MET HB3 . 50160 1
296 . 1 . 1 32 32 MET CA C 13 55.925 0.025 . 1 . . . . . 32 MET CA . 50160 1
297 . 1 . 1 32 32 MET CB C 13 33.062 0.024 . 1 . . . . . 32 MET CB . 50160 1
298 . 1 . 1 32 32 MET N N 15 119.973 0.097 . 1 . . . . . 32 MET N . 50160 1
299 . 1 . 1 33 33 SER H H 1 7.948 0.010 . 1 . . . . . 33 SER H . 50160 1
300 . 1 . 1 33 33 SER HA H 1 4.688 0.012 . 1 . . . . . 33 SER HA . 50160 1
301 . 1 . 1 33 33 SER HB2 H 1 3.861 0.016 . 2 . . . . . 33 SER HB2 . 50160 1
302 . 1 . 1 33 33 SER HB3 H 1 3.861 0.016 . 2 . . . . . 33 SER HB3 . 50160 1
303 . 1 . 1 33 33 SER CA C 13 56.460 0.000 . 1 . . . . . 33 SER CA . 50160 1
304 . 1 . 1 33 33 SER CB C 13 63.477 0.000 . 1 . . . . . 33 SER CB . 50160 1
305 . 1 . 1 33 33 SER N N 15 116.167 0.104 . 1 . . . . . 33 SER N . 50160 1
306 . 1 . 1 34 34 PRO HA H 1 4.427 0.013 . 1 . . . . . 34 PRO HA . 50160 1
307 . 1 . 1 34 34 PRO HB2 H 1 2.042 0.017 . 2 . . . . . 34 PRO HB2 . 50160 1
308 . 1 . 1 34 34 PRO HB3 H 1 2.042 0.017 . 2 . . . . . 34 PRO HB3 . 50160 1
309 . 1 . 1 34 34 PRO HG2 H 1 2.290 0.000 . 2 . . . . . 34 PRO HG2 . 50160 1
310 . 1 . 1 34 34 PRO HG3 H 1 2.290 0.000 . 2 . . . . . 34 PRO HG3 . 50160 1
311 . 1 . 1 34 34 PRO CA C 13 63.587 0.166 . 1 . . . . . 34 PRO CA . 50160 1
312 . 1 . 1 34 34 PRO CB C 13 31.943 0.000 . 1 . . . . . 34 PRO CB . 50160 1
313 . 1 . 1 35 35 LYS H H 1 8.274 0.014 . 1 . . . . . 35 LYS H . 50160 1
314 . 1 . 1 35 35 LYS HA H 1 4.194 0.008 . 1 . . . . . 35 LYS HA . 50160 1
315 . 1 . 1 35 35 LYS HB2 H 1 1.762 0.002 . 2 . . . . . 35 LYS HB2 . 50160 1
316 . 1 . 1 35 35 LYS HB3 H 1 1.762 0.002 . 2 . . . . . 35 LYS HB3 . 50160 1
317 . 1 . 1 35 35 LYS CA C 13 57.033 0.010 . 1 . . . . . 35 LYS CA . 50160 1
318 . 1 . 1 35 35 LYS CB C 13 32.843 0.088 . 1 . . . . . 35 LYS CB . 50160 1
319 . 1 . 1 35 35 LYS N N 15 119.959 0.076 . 1 . . . . . 35 LYS N . 50160 1
320 . 1 . 1 36 36 ASN H H 1 8.176 0.010 . 1 . . . . . 36 ASN H . 50160 1
321 . 1 . 1 36 36 ASN HB2 H 1 2.784 0.000 . 2 . . . . . 36 ASN HB2 . 50160 1
322 . 1 . 1 36 36 ASN HB3 H 1 2.784 0.000 . 2 . . . . . 36 ASN HB3 . 50160 1
323 . 1 . 1 36 36 ASN CA C 13 53.566 0.012 . 1 . . . . . 36 ASN CA . 50160 1
324 . 1 . 1 36 36 ASN CB C 13 38.881 0.005 . 1 . . . . . 36 ASN CB . 50160 1
325 . 1 . 1 36 36 ASN N N 15 118.318 0.058 . 1 . . . . . 36 ASN N . 50160 1
326 . 1 . 1 37 37 ARG H H 1 8.137 0.020 . 1 . . . . . 37 ARG H . 50160 1
327 . 1 . 1 37 37 ARG HA H 1 4.251 0.000 . 1 . . . . . 37 ARG HA . 50160 1
328 . 1 . 1 37 37 ARG HB2 H 1 1.868 0.000 . 2 . . . . . 37 ARG HB2 . 50160 1
329 . 1 . 1 37 37 ARG HB3 H 1 1.868 0.000 . 2 . . . . . 37 ARG HB3 . 50160 1
330 . 1 . 1 37 37 ARG HG2 H 1 1.577 0.000 . 2 . . . . . 37 ARG HG2 . 50160 1
331 . 1 . 1 37 37 ARG HG3 H 1 1.577 0.000 . 2 . . . . . 37 ARG HG3 . 50160 1
332 . 1 . 1 37 37 ARG HD2 H 1 3.154 0.000 . 2 . . . . . 37 ARG HD2 . 50160 1
333 . 1 . 1 37 37 ARG HD3 H 1 3.154 0.000 . 2 . . . . . 37 ARG HD3 . 50160 1
334 . 1 . 1 37 37 ARG CA C 13 56.489 0.010 . 1 . . . . . 37 ARG CA . 50160 1
335 . 1 . 1 37 37 ARG CB C 13 30.700 0.001 . 1 . . . . . 37 ARG CB . 50160 1
336 . 1 . 1 37 37 ARG N N 15 120.720 0.066 . 1 . . . . . 37 ARG N . 50160 1
337 . 1 . 1 38 38 LEU H H 1 8.120 0.009 . 1 . . . . . 38 LEU H . 50160 1
338 . 1 . 1 38 38 LEU HA H 1 4.270 0.006 . 1 . . . . . 38 LEU HA . 50160 1
339 . 1 . 1 38 38 LEU HB2 H 1 1.570 0.000 . 2 . . . . . 38 LEU HB2 . 50160 1
340 . 1 . 1 38 38 LEU HB3 H 1 1.570 0.000 . 2 . . . . . 38 LEU HB3 . 50160 1
341 . 1 . 1 38 38 LEU HG H 1 1.599 0.002 . 1 . . . . . 38 LEU HG . 50160 1
342 . 1 . 1 38 38 LEU HD11 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD1 . 50160 1
343 . 1 . 1 38 38 LEU HD12 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD1 . 50160 1
344 . 1 . 1 38 38 LEU HD13 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD1 . 50160 1
345 . 1 . 1 38 38 LEU HD21 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD2 . 50160 1
346 . 1 . 1 38 38 LEU HD22 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD2 . 50160 1
347 . 1 . 1 38 38 LEU HD23 H 1 0.865 0.010 . 2 . . . . . 38 LEU QD2 . 50160 1
348 . 1 . 1 38 38 LEU CA C 13 55.324 0.004 . 1 . . . . . 38 LEU CA . 50160 1
349 . 1 . 1 38 38 LEU CB C 13 42.252 0.047 . 1 . . . . . 38 LEU CB . 50160 1
350 . 1 . 1 38 38 LEU N N 15 121.981 0.058 . 1 . . . . . 38 LEU N . 50160 1
351 . 1 . 1 39 39 GLU H H 1 8.155 0.022 . 1 . . . . . 39 GLU H . 50160 1
352 . 1 . 1 39 39 GLU HA H 1 4.046 0.028 . 1 . . . . . 39 GLU HA . 50160 1
353 . 1 . 1 39 39 GLU HB2 H 1 1.898 0.017 . 2 . . . . . 39 GLU HB2 . 50160 1
354 . 1 . 1 39 39 GLU HB3 H 1 1.898 0.017 . 2 . . . . . 39 GLU HB3 . 50160 1
355 . 1 . 1 39 39 GLU CA C 13 56.513 0.000 . 1 . . . . . 39 GLU CA . 50160 1
356 . 1 . 1 39 39 GLU CB C 13 30.598 0.000 . 1 . . . . . 39 GLU CB . 50160 1
357 . 1 . 1 39 39 GLU N N 15 120.743 0.094 . 1 . . . . . 39 GLU N . 50160 1
358 . 1 . 1 44 44 HIS HB2 H 1 3.091 0.000 . 2 . . . . . 44 HIS HB2 . 50160 1
359 . 1 . 1 44 44 HIS HB3 H 1 3.091 0.000 . 2 . . . . . 44 HIS HB3 . 50160 1
360 . 1 . 1 44 44 HIS CA C 13 55.910 0.000 . 1 . . . . . 44 HIS CA . 50160 1
361 . 1 . 1 44 44 HIS CB C 13 30.130 0.000 . 1 . . . . . 44 HIS CB . 50160 1
362 . 1 . 1 45 45 HIS H H 1 8.012 0.013 . 1 . . . . . 45 HIS H . 50160 1
363 . 1 . 1 45 45 HIS HA H 1 4.395 0.000 . 1 . . . . . 45 HIS HA . 50160 1
364 . 1 . 1 45 45 HIS CA C 13 57.260 0.000 . 1 . . . . . 45 HIS CA . 50160 1
365 . 1 . 1 45 45 HIS CB C 13 30.480 0.000 . 1 . . . . . 45 HIS CB . 50160 1
366 . 1 . 1 45 45 HIS N N 15 125.400 0.067 . 1 . . . . . 45 HIS N . 50160 1
stop_
save_