###################################
# 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 30005
_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 $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 '2D 1H-15N HSQC' . . . 30005 1
3 '2D 1H-13C HSQC' . . . 30005 1
10 '3D HNCO' . . . 30005 1
13 '3D 1H-15N NOESY' . . . 30005 1
14 '3D 1H-13C NOESY' . . . 30005 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 30005 1
4 $software_4 . . 30005 1
5 $software_5 . . 30005 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 ASP H H 1 8.070 0.000 . . . . 1 A 1 ASP H1 . 30005 1
2 . 1 1 1 1 ASP HA H 1 4.570 0.000 . . . . 1 A 1 ASP HA . 30005 1
3 . 1 1 1 1 ASP HB2 H 1 2.476 0.000 . . . . 1 A 1 ASP HB2 . 30005 1
4 . 1 1 1 1 ASP HB3 H 1 2.719 0.000 . . . . 1 A 1 ASP HB3 . 30005 1
5 . 1 1 1 1 ASP C C 13 176.310 0.000 . . . . 1 A 1 ASP C . 30005 1
6 . 1 1 1 1 ASP CA C 13 53.790 0.000 . . . . 1 A 1 ASP CA . 30005 1
7 . 1 1 1 1 ASP CB C 13 40.810 0.000 . . . . 1 A 1 ASP CB . 30005 1
8 . 1 1 1 1 ASP N N 15 122.650 0.000 . . . . 1 A 1 ASP N . 30005 1
9 . 1 1 2 2 PHE H H 1 8.143 0.029 . . . . 1 A 2 PHE H . 30005 1
10 . 1 1 2 2 PHE HA H 1 3.976 0.008 . . . . 1 A 2 PHE HA . 30005 1
11 . 1 1 2 2 PHE HB2 H 1 2.855 0.015 . . . . 1 A 2 PHE HB2 . 30005 1
12 . 1 1 2 2 PHE HB3 H 1 3.021 0.006 . . . . 1 A 2 PHE HB3 . 30005 1
13 . 1 1 2 2 PHE HD1 H 1 7.077 0.000 . . . . 1 A 2 PHE HD1 . 30005 1
14 . 1 1 2 2 PHE HD2 H 1 7.077 0.000 . . . . 1 A 2 PHE HD2 . 30005 1
15 . 1 1 2 2 PHE HE1 H 1 7.302 0.000 . . . . 1 A 2 PHE HE1 . 30005 1
16 . 1 1 2 2 PHE HE2 H 1 7.302 0.000 . . . . 1 A 2 PHE HE2 . 30005 1
17 . 1 1 2 2 PHE C C 13 176.250 0.000 . . . . 1 A 2 PHE C . 30005 1
18 . 1 1 2 2 PHE CA C 13 62.630 0.000 . . . . 1 A 2 PHE CA . 30005 1
19 . 1 1 2 2 PHE CB C 13 38.660 0.000 . . . . 1 A 2 PHE CB . 30005 1
20 . 1 1 2 2 PHE CD1 C 13 131.860 0.000 . . . . 1 A 2 PHE CD1 . 30005 1
21 . 1 1 2 2 PHE CE1 C 13 131.720 0.000 . . . . 1 A 2 PHE CE1 . 30005 1
22 . 1 1 2 2 PHE N N 15 119.946 0.185 . . . . 1 A 2 PHE N . 30005 1
23 . 1 1 3 3 LYS H H 1 8.081 0.025 . . . . 1 A 3 LYS H . 30005 1
24 . 1 1 3 3 LYS HA H 1 3.469 0.010 . . . . 1 A 3 LYS HA . 30005 1
25 . 1 1 3 3 LYS HB2 H 1 1.071 0.011 . . . . 1 A 3 LYS HB2 . 30005 1
26 . 1 1 3 3 LYS HB3 H 1 1.674 0.006 . . . . 1 A 3 LYS HB3 . 30005 1
27 . 1 1 3 3 LYS HG2 H 1 0.348 0.000 . . . . 1 A 3 LYS HG2 . 30005 1
28 . 1 1 3 3 LYS HG3 H 1 0.348 0.000 . . . . 1 A 3 LYS HG3 . 30005 1
29 . 1 1 3 3 LYS HD2 H 1 0.898 0.010 . . . . 1 A 3 LYS HD2 . 30005 1
30 . 1 1 3 3 LYS HD3 H 1 1.323 0.011 . . . . 1 A 3 LYS HD3 . 30005 1
31 . 1 1 3 3 LYS HE2 H 1 2.869 0.022 . . . . 1 A 3 LYS HE2 . 30005 1
32 . 1 1 3 3 LYS HE3 H 1 2.756 0.017 . . . . 1 A 3 LYS HE3 . 30005 1
33 . 1 1 3 3 LYS C C 13 177.260 0.000 . . . . 1 A 3 LYS C . 30005 1
34 . 1 1 3 3 LYS CA C 13 61.050 0.000 . . . . 1 A 3 LYS CA . 30005 1
35 . 1 1 3 3 LYS CB C 13 32.520 0.000 . . . . 1 A 3 LYS CB . 30005 1
36 . 1 1 3 3 LYS CG C 13 24.390 0.000 . . . . 1 A 3 LYS CG . 30005 1
37 . 1 1 3 3 LYS CD C 13 29.420 0.000 . . . . 1 A 3 LYS CD . 30005 1
38 . 1 1 3 3 LYS CE C 13 41.520 0.000 . . . . 1 A 3 LYS CE . 30005 1
39 . 1 1 3 3 LYS N N 15 121.572 0.271 . . . . 1 A 3 LYS N . 30005 1
40 . 1 1 4 4 LYS H H 1 7.331 0.050 . . . . 1 A 4 LYS H . 30005 1
41 . 1 1 4 4 LYS HA H 1 4.015 0.012 . . . . 1 A 4 LYS HA . 30005 1
42 . 1 1 4 4 LYS HB2 H 1 1.723 0.013 . . . . 1 A 4 LYS HB2 . 30005 1
43 . 1 1 4 4 LYS HB3 H 1 1.723 0.013 . . . . 1 A 4 LYS HB3 . 30005 1
44 . 1 1 4 4 LYS HG2 H 1 1.440 0.000 . . . . 1 A 4 LYS HG2 . 30005 1
45 . 1 1 4 4 LYS HG3 H 1 1.318 0.010 . . . . 1 A 4 LYS HG3 . 30005 1
46 . 1 1 4 4 LYS HD2 H 1 1.661 0.002 . . . . 1 A 4 LYS HD2 . 30005 1
47 . 1 1 4 4 LYS HD3 H 1 1.661 0.002 . . . . 1 A 4 LYS HD3 . 30005 1
48 . 1 1 4 4 LYS HE2 H 1 2.899 0.021 . . . . 1 A 4 LYS HE2 . 30005 1
49 . 1 1 4 4 LYS HE3 H 1 2.899 0.021 . . . . 1 A 4 LYS HE3 . 30005 1
50 . 1 1 4 4 LYS C C 13 179.800 0.000 . . . . 1 A 4 LYS C . 30005 1
51 . 1 1 4 4 LYS CA C 13 59.390 0.000 . . . . 1 A 4 LYS CA . 30005 1
52 . 1 1 4 4 LYS CB C 13 32.300 0.000 . . . . 1 A 4 LYS CB . 30005 1
53 . 1 1 4 4 LYS CG C 13 24.660 0.000 . . . . 1 A 4 LYS CG . 30005 1
54 . 1 1 4 4 LYS CD C 13 28.950 0.000 . . . . 1 A 4 LYS CD . 30005 1
55 . 1 1 4 4 LYS CE C 13 41.860 0.000 . . . . 1 A 4 LYS CE . 30005 1
56 . 1 1 4 4 LYS N N 15 118.264 0.106 . . . . 1 A 4 LYS N . 30005 1
57 . 1 1 5 5 LEU H H 1 7.696 0.022 . . . . 1 A 5 LEU H . 30005 1
58 . 1 1 5 5 LEU HA H 1 4.004 0.000 . . . . 1 A 5 LEU HA . 30005 1
59 . 1 1 5 5 LEU HB2 H 1 1.303 0.000 . . . . 1 A 5 LEU HB2 . 30005 1
60 . 1 1 5 5 LEU HB3 H 1 1.303 0.000 . . . . 1 A 5 LEU HB3 . 30005 1
61 . 1 1 5 5 LEU HG H 1 1.447 0.000 . . . . 1 A 5 LEU HG . 30005 1
62 . 1 1 5 5 LEU HD11 H 1 0.324 0.000 . . . . 1 A 5 LEU HD11 . 30005 1
63 . 1 1 5 5 LEU HD12 H 1 0.324 0.000 . . . . 1 A 5 LEU HD12 . 30005 1
64 . 1 1 5 5 LEU HD13 H 1 0.324 0.000 . . . . 1 A 5 LEU HD13 . 30005 1
65 . 1 1 5 5 LEU HD21 H 1 0.689 0.000 . . . . 1 A 5 LEU HD21 . 30005 1
66 . 1 1 5 5 LEU HD22 H 1 0.689 0.000 . . . . 1 A 5 LEU HD22 . 30005 1
67 . 1 1 5 5 LEU HD23 H 1 0.689 0.000 . . . . 1 A 5 LEU HD23 . 30005 1
68 . 1 1 5 5 LEU C C 13 179.280 0.000 . . . . 1 A 5 LEU C . 30005 1
69 . 1 1 5 5 LEU CA C 13 57.900 0.000 . . . . 1 A 5 LEU CA . 30005 1
70 . 1 1 5 5 LEU CB C 13 41.720 0.000 . . . . 1 A 5 LEU CB . 30005 1
71 . 1 1 5 5 LEU CG C 13 26.380 0.000 . . . . 1 A 5 LEU CG . 30005 1
72 . 1 1 5 5 LEU CD1 C 13 22.360 0.000 . . . . 1 A 5 LEU CD1 . 30005 1
73 . 1 1 5 5 LEU CD2 C 13 24.780 0.000 . . . . 1 A 5 LEU CD2 . 30005 1
74 . 1 1 5 5 LEU N N 15 119.092 0.204 . . . . 1 A 5 LEU N . 30005 1
75 . 1 1 6 6 TYR H H 1 8.627 0.037 . . . . 1 A 6 TYR H . 30005 1
76 . 1 1 6 6 TYR HA H 1 4.476 0.010 . . . . 1 A 6 TYR HA . 30005 1
77 . 1 1 6 6 TYR HB2 H 1 3.479 0.013 . . . . 1 A 6 TYR HB2 . 30005 1
78 . 1 1 6 6 TYR HB3 H 1 3.479 0.013 . . . . 1 A 6 TYR HB3 . 30005 1
79 . 1 1 6 6 TYR HD1 H 1 7.082 0.000 . . . . 1 A 6 TYR HD1 . 30005 1
80 . 1 1 6 6 TYR HD2 H 1 7.082 0.000 . . . . 1 A 6 TYR HD2 . 30005 1
81 . 1 1 6 6 TYR HE1 H 1 6.890 0.000 . . . . 1 A 6 TYR HE1 . 30005 1
82 . 1 1 6 6 TYR HE2 H 1 6.890 0.000 . . . . 1 A 6 TYR HE2 . 30005 1
83 . 1 1 6 6 TYR C C 13 175.360 0.000 . . . . 1 A 6 TYR C . 30005 1
84 . 1 1 6 6 TYR CA C 13 61.560 0.000 . . . . 1 A 6 TYR CA . 30005 1
85 . 1 1 6 6 TYR CB C 13 38.710 0.000 . . . . 1 A 6 TYR CB . 30005 1
86 . 1 1 6 6 TYR CD1 C 13 133.380 0.000 . . . . 1 A 6 TYR CD1 . 30005 1
87 . 1 1 6 6 TYR CD2 C 13 131.860 0.000 . . . . 1 A 6 TYR CD2 . 30005 1
88 . 1 1 6 6 TYR CE1 C 13 118.560 0.000 . . . . 1 A 6 TYR CE1 . 30005 1
89 . 1 1 6 6 TYR N N 15 119.920 0.193 . . . . 1 A 6 TYR N . 30005 1
90 . 1 1 7 7 GLU H H 1 8.238 0.033 . . . . 1 A 7 GLU H . 30005 1
91 . 1 1 7 7 GLU HA H 1 3.546 0.018 . . . . 1 A 7 GLU HA . 30005 1
92 . 1 1 7 7 GLU HB2 H 1 1.948 0.010 . . . . 1 A 7 GLU HB2 . 30005 1
93 . 1 1 7 7 GLU HB3 H 1 2.677 0.011 . . . . 1 A 7 GLU HB3 . 30005 1
94 . 1 1 7 7 GLU HG2 H 1 2.213 0.024 . . . . 1 A 7 GLU HG2 . 30005 1
95 . 1 1 7 7 GLU HG3 H 1 2.213 0.024 . . . . 1 A 7 GLU HG3 . 30005 1
96 . 1 1 7 7 GLU C C 13 180.400 0.000 . . . . 1 A 7 GLU C . 30005 1
97 . 1 1 7 7 GLU CA C 13 60.010 0.000 . . . . 1 A 7 GLU CA . 30005 1
98 . 1 1 7 7 GLU CB C 13 29.300 0.000 . . . . 1 A 7 GLU CB . 30005 1
99 . 1 1 7 7 GLU CG C 13 36.850 0.000 . . . . 1 A 7 GLU CG . 30005 1
100 . 1 1 7 7 GLU N N 15 117.746 0.228 . . . . 1 A 7 GLU N . 30005 1
101 . 1 1 8 8 GLN H H 1 8.120 0.037 . . . . 1 A 8 GLN H . 30005 1
102 . 1 1 8 8 GLN HA H 1 4.120 0.011 . . . . 1 A 8 GLN HA . 30005 1
103 . 1 1 8 8 GLN HB2 H 1 2.222 0.008 . . . . 1 A 8 GLN HB2 . 30005 1
104 . 1 1 8 8 GLN HB3 H 1 2.222 0.008 . . . . 1 A 8 GLN HB3 . 30005 1
105 . 1 1 8 8 GLN HG2 H 1 2.303 0.000 . . . . 1 A 8 GLN HG2 . 30005 1
106 . 1 1 8 8 GLN HG3 H 1 2.572 0.000 . . . . 1 A 8 GLN HG3 . 30005 1
107 . 1 1 8 8 GLN HE21 H 1 6.700 0.058 . . . . 1 A 8 GLN HE21 . 30005 1
108 . 1 1 8 8 GLN HE22 H 1 7.454 0.058 . . . . 1 A 8 GLN HE22 . 30005 1
109 . 1 1 8 8 GLN C C 13 179.180 0.000 . . . . 1 A 8 GLN C . 30005 1
110 . 1 1 8 8 GLN CA C 13 59.700 0.000 . . . . 1 A 8 GLN CA . 30005 1
111 . 1 1 8 8 GLN CB C 13 28.990 0.000 . . . . 1 A 8 GLN CB . 30005 1
112 . 1 1 8 8 GLN CG C 13 33.870 0.000 . . . . 1 A 8 GLN CG . 30005 1
113 . 1 1 8 8 GLN N N 15 119.098 0.087 . . . . 1 A 8 GLN N . 30005 1
114 . 1 1 8 8 GLN NE2 N 15 110.664 0.016 . . . . 1 A 8 GLN NE2 . 30005 1
115 . 1 1 9 9 ILE H H 1 8.437 0.030 . . . . 1 A 9 ILE H . 30005 1
116 . 1 1 9 9 ILE HA H 1 4.090 0.000 . . . . 1 A 9 ILE HA . 30005 1
117 . 1 1 9 9 ILE HB H 1 2.093 0.005 . . . . 1 A 9 ILE HB . 30005 1
118 . 1 1 9 9 ILE HG12 H 1 1.544 0.011 . . . . 1 A 9 ILE HG12 . 30005 1
119 . 1 1 9 9 ILE HG13 H 1 1.623 0.022 . . . . 1 A 9 ILE HG13 . 30005 1
120 . 1 1 9 9 ILE HG21 H 1 1.119 0.000 . . . . 1 A 9 ILE HG21 . 30005 1
121 . 1 1 9 9 ILE HG22 H 1 1.119 0.000 . . . . 1 A 9 ILE HG22 . 30005 1
122 . 1 1 9 9 ILE HG23 H 1 1.119 0.000 . . . . 1 A 9 ILE HG23 . 30005 1
123 . 1 1 9 9 ILE HD11 H 1 0.872 0.000 . . . . 1 A 9 ILE HD11 . 30005 1
124 . 1 1 9 9 ILE HD12 H 1 0.872 0.000 . . . . 1 A 9 ILE HD12 . 30005 1
125 . 1 1 9 9 ILE HD13 H 1 0.872 0.000 . . . . 1 A 9 ILE HD13 . 30005 1
126 . 1 1 9 9 ILE C C 13 177.940 0.000 . . . . 1 A 9 ILE C . 30005 1
127 . 1 1 9 9 ILE CA C 13 63.360 0.000 . . . . 1 A 9 ILE CA . 30005 1
128 . 1 1 9 9 ILE CB C 13 37.030 0.000 . . . . 1 A 9 ILE CB . 30005 1
129 . 1 1 9 9 ILE CG1 C 13 28.780 0.000 . . . . 1 A 9 ILE CG1 . 30005 1
130 . 1 1 9 9 ILE CG2 C 13 19.170 0.000 . . . . 1 A 9 ILE CG2 . 30005 1
131 . 1 1 9 9 ILE CD1 C 13 12.860 0.000 . . . . 1 A 9 ILE CD1 . 30005 1
132 . 1 1 9 9 ILE N N 15 121.204 0.152 . . . . 1 A 9 ILE N . 30005 1
133 . 1 1 10 10 LEU H H 1 8.619 0.031 . . . . 1 A 10 LEU H . 30005 1
134 . 1 1 10 10 LEU HA H 1 3.918 0.010 . . . . 1 A 10 LEU HA . 30005 1
135 . 1 1 10 10 LEU HB2 H 1 1.522 0.011 . . . . 1 A 10 LEU HB2 . 30005 1
136 . 1 1 10 10 LEU HB3 H 1 1.250 0.013 . . . . 1 A 10 LEU HB3 . 30005 1
137 . 1 1 10 10 LEU HG H 1 1.420 0.011 . . . . 1 A 10 LEU HG . 30005 1
138 . 1 1 10 10 LEU HD11 H 1 0.796 0.008 . . . . 1 A 10 LEU HD11 . 30005 1
139 . 1 1 10 10 LEU HD12 H 1 0.796 0.008 . . . . 1 A 10 LEU HD12 . 30005 1
140 . 1 1 10 10 LEU HD13 H 1 0.796 0.008 . . . . 1 A 10 LEU HD13 . 30005 1
141 . 1 1 10 10 LEU HD21 H 1 0.796 0.008 . . . . 1 A 10 LEU HD21 . 30005 1
142 . 1 1 10 10 LEU HD22 H 1 0.796 0.008 . . . . 1 A 10 LEU HD22 . 30005 1
143 . 1 1 10 10 LEU HD23 H 1 0.796 0.008 . . . . 1 A 10 LEU HD23 . 30005 1
144 . 1 1 10 10 LEU C C 13 179.370 0.000 . . . . 1 A 10 LEU C . 30005 1
145 . 1 1 10 10 LEU CA C 13 58.580 0.000 . . . . 1 A 10 LEU CA . 30005 1
146 . 1 1 10 10 LEU CB C 13 42.310 0.000 . . . . 1 A 10 LEU CB . 30005 1
147 . 1 1 10 10 LEU CG C 13 26.110 0.000 . . . . 1 A 10 LEU CG . 30005 1
148 . 1 1 10 10 LEU CD1 C 13 24.190 0.000 . . . . 1 A 10 LEU CD1 . 30005 1
149 . 1 1 10 10 LEU CD2 C 13 24.190 0.000 . . . . 1 A 10 LEU CD2 . 30005 1
150 . 1 1 10 10 LEU N N 15 125.303 0.116 . . . . 1 A 10 LEU N . 30005 1
151 . 1 1 11 11 ALA H H 1 7.314 0.039 . . . . 1 A 11 ALA H . 30005 1
152 . 1 1 11 11 ALA HA H 1 4.174 0.015 . . . . 1 A 11 ALA HA . 30005 1
153 . 1 1 11 11 ALA HB1 H 1 1.507 0.010 . . . . 1 A 11 ALA HB1 . 30005 1
154 . 1 1 11 11 ALA HB2 H 1 1.507 0.010 . . . . 1 A 11 ALA HB2 . 30005 1
155 . 1 1 11 11 ALA HB3 H 1 1.507 0.010 . . . . 1 A 11 ALA HB3 . 30005 1
156 . 1 1 11 11 ALA C C 13 181.900 0.000 . . . . 1 A 11 ALA C . 30005 1
157 . 1 1 11 11 ALA CA C 13 55.370 0.000 . . . . 1 A 11 ALA CA . 30005 1
158 . 1 1 11 11 ALA CB C 13 17.830 0.000 . . . . 1 A 11 ALA CB . 30005 1
159 . 1 1 11 11 ALA N N 15 120.124 0.161 . . . . 1 A 11 ALA N . 30005 1
160 . 1 1 12 12 GLU H H 1 7.704 0.024 . . . . 1 A 12 GLU H . 30005 1
161 . 1 1 12 12 GLU HA H 1 4.069 0.005 . . . . 1 A 12 GLU HA . 30005 1
162 . 1 1 12 12 GLU HB2 H 1 2.192 0.000 . . . . 1 A 12 GLU HB2 . 30005 1
163 . 1 1 12 12 GLU HB3 H 1 2.192 0.000 . . . . 1 A 12 GLU HB3 . 30005 1
164 . 1 1 12 12 GLU HG2 H 1 2.368 0.000 . . . . 1 A 12 GLU HG2 . 30005 1
165 . 1 1 12 12 GLU HG3 H 1 2.368 0.000 . . . . 1 A 12 GLU HG3 . 30005 1
166 . 1 1 12 12 GLU C C 13 178.230 0.000 . . . . 1 A 12 GLU C . 30005 1
167 . 1 1 12 12 GLU CA C 13 59.580 0.000 . . . . 1 A 12 GLU CA . 30005 1
168 . 1 1 12 12 GLU CB C 13 29.740 0.000 . . . . 1 A 12 GLU CB . 30005 1
169 . 1 1 12 12 GLU CG C 13 36.200 0.000 . . . . 1 A 12 GLU CG . 30005 1
170 . 1 1 12 12 GLU N N 15 119.987 0.278 . . . . 1 A 12 GLU N . 30005 1
171 . 1 1 13 13 ASN H H 1 8.822 0.050 . . . . 1 A 13 ASN H . 30005 1
172 . 1 1 13 13 ASN HA H 1 4.320 0.009 . . . . 1 A 13 ASN HA . 30005 1
173 . 1 1 13 13 ASN HB2 H 1 2.865 0.010 . . . . 1 A 13 ASN HB2 . 30005 1
174 . 1 1 13 13 ASN HB3 H 1 3.196 0.012 . . . . 1 A 13 ASN HB3 . 30005 1
175 . 1 1 13 13 ASN HD21 H 1 6.878 0.055 . . . . 1 A 13 ASN HD21 . 30005 1
176 . 1 1 13 13 ASN HD22 H 1 7.575 0.057 . . . . 1 A 13 ASN HD22 . 30005 1
177 . 1 1 13 13 ASN C C 13 177.010 0.000 . . . . 1 A 13 ASN C . 30005 1
178 . 1 1 13 13 ASN CA C 13 57.610 0.000 . . . . 1 A 13 ASN CA . 30005 1
179 . 1 1 13 13 ASN CB C 13 39.220 0.000 . . . . 1 A 13 ASN CB . 30005 1
180 . 1 1 13 13 ASN N N 15 120.781 0.256 . . . . 1 A 13 ASN N . 30005 1
181 . 1 1 14 14 GLU H H 1 8.017 0.033 . . . . 1 A 14 GLU H . 30005 1
182 . 1 1 14 14 GLU HA H 1 3.958 0.013 . . . . 1 A 14 GLU HA . 30005 1
183 . 1 1 14 14 GLU HB2 H 1 2.145 0.018 . . . . 1 A 14 GLU HB2 . 30005 1
184 . 1 1 14 14 GLU HB3 H 1 2.145 0.018 . . . . 1 A 14 GLU HB3 . 30005 1
185 . 1 1 14 14 GLU HG2 H 1 2.320 0.010 . . . . 1 A 14 GLU HG2 . 30005 1
186 . 1 1 14 14 GLU HG3 H 1 2.433 0.012 . . . . 1 A 14 GLU HG3 . 30005 1
187 . 1 1 14 14 GLU C C 13 179.920 0.000 . . . . 1 A 14 GLU C . 30005 1
188 . 1 1 14 14 GLU CA C 13 59.930 0.000 . . . . 1 A 14 GLU CA . 30005 1
189 . 1 1 14 14 GLU CB C 13 29.650 0.000 . . . . 1 A 14 GLU CB . 30005 1
190 . 1 1 14 14 GLU CG C 13 36.230 0.000 . . . . 1 A 14 GLU CG . 30005 1
191 . 1 1 14 14 GLU N N 15 118.400 0.191 . . . . 1 A 14 GLU N . 30005 1
192 . 1 1 15 15 LYS H H 1 7.576 0.042 . . . . 1 A 15 LYS H . 30005 1
193 . 1 1 15 15 LYS HA H 1 4.150 0.010 . . . . 1 A 15 LYS HA . 30005 1
194 . 1 1 15 15 LYS HB2 H 1 2.006 0.011 . . . . 1 A 15 LYS HB2 . 30005 1
195 . 1 1 15 15 LYS HB3 H 1 2.006 0.011 . . . . 1 A 15 LYS HB3 . 30005 1
196 . 1 1 15 15 LYS HG2 H 1 1.429 0.009 . . . . 1 A 15 LYS HG2 . 30005 1
197 . 1 1 15 15 LYS HG3 H 1 1.429 0.009 . . . . 1 A 15 LYS HG3 . 30005 1
198 . 1 1 15 15 LYS HD2 H 1 1.689 0.000 . . . . 1 A 15 LYS HD2 . 30005 1
199 . 1 1 15 15 LYS HD3 H 1 1.689 0.000 . . . . 1 A 15 LYS HD3 . 30005 1
200 . 1 1 15 15 LYS HE2 H 1 2.929 0.018 . . . . 1 A 15 LYS HE2 . 30005 1
201 . 1 1 15 15 LYS HE3 H 1 2.929 0.018 . . . . 1 A 15 LYS HE3 . 30005 1
202 . 1 1 15 15 LYS C C 13 179.840 0.000 . . . . 1 A 15 LYS C . 30005 1
203 . 1 1 15 15 LYS CA C 13 59.830 0.000 . . . . 1 A 15 LYS CA . 30005 1
204 . 1 1 15 15 LYS CB C 13 32.260 0.000 . . . . 1 A 15 LYS CB . 30005 1
205 . 1 1 15 15 LYS CG C 13 24.950 0.000 . . . . 1 A 15 LYS CG . 30005 1
206 . 1 1 15 15 LYS CD C 13 29.080 0.000 . . . . 1 A 15 LYS CD . 30005 1
207 . 1 1 15 15 LYS CE C 13 42.030 0.000 . . . . 1 A 15 LYS CE . 30005 1
208 . 1 1 15 15 LYS N N 15 120.946 0.237 . . . . 1 A 15 LYS N . 30005 1
209 . 1 1 16 16 LEU H H 1 8.629 0.029 . . . . 1 A 16 LEU H . 30005 1
210 . 1 1 16 16 LEU HA H 1 4.118 0.008 . . . . 1 A 16 LEU HA . 30005 1
211 . 1 1 16 16 LEU HB2 H 1 1.234 0.011 . . . . 1 A 16 LEU HB2 . 30005 1
212 . 1 1 16 16 LEU HB3 H 1 1.234 0.011 . . . . 1 A 16 LEU HB3 . 30005 1
213 . 1 1 16 16 LEU HG H 1 1.876 0.010 . . . . 1 A 16 LEU HG . 30005 1
214 . 1 1 16 16 LEU HD11 H 1 0.853 0.004 . . . . 1 A 16 LEU HD11 . 30005 1
215 . 1 1 16 16 LEU HD12 H 1 0.853 0.004 . . . . 1 A 16 LEU HD12 . 30005 1
216 . 1 1 16 16 LEU HD13 H 1 0.853 0.004 . . . . 1 A 16 LEU HD13 . 30005 1
217 . 1 1 16 16 LEU HD21 H 1 0.942 0.003 . . . . 1 A 16 LEU HD21 . 30005 1
218 . 1 1 16 16 LEU HD22 H 1 0.942 0.003 . . . . 1 A 16 LEU HD22 . 30005 1
219 . 1 1 16 16 LEU HD23 H 1 0.942 0.003 . . . . 1 A 16 LEU HD23 . 30005 1
220 . 1 1 16 16 LEU C C 13 179.510 0.000 . . . . 1 A 16 LEU C . 30005 1
221 . 1 1 16 16 LEU CA C 13 57.980 0.000 . . . . 1 A 16 LEU CA . 30005 1
222 . 1 1 16 16 LEU CB C 13 43.280 0.000 . . . . 1 A 16 LEU CB . 30005 1
223 . 1 1 16 16 LEU CG C 13 27.020 0.000 . . . . 1 A 16 LEU CG . 30005 1
224 . 1 1 16 16 LEU CD1 C 13 23.260 0.000 . . . . 1 A 16 LEU CD1 . 30005 1
225 . 1 1 16 16 LEU CD2 C 13 23.260 0.000 . . . . 1 A 16 LEU CD2 . 30005 1
226 . 1 1 16 16 LEU N N 15 121.256 0.172 . . . . 1 A 16 LEU N . 30005 1
227 . 1 1 17 17 LYS H H 1 8.428 0.024 . . . . 1 A 17 LYS H . 30005 1
228 . 1 1 17 17 LYS HA H 1 3.861 0.010 . . . . 1 A 17 LYS HA . 30005 1
229 . 1 1 17 17 LYS HB2 H 1 1.718 0.012 . . . . 1 A 17 LYS HB2 . 30005 1
230 . 1 1 17 17 LYS HB3 H 1 1.858 0.010 . . . . 1 A 17 LYS HB3 . 30005 1
231 . 1 1 17 17 LYS HG2 H 1 1.369 0.012 . . . . 1 A 17 LYS HG2 . 30005 1
232 . 1 1 17 17 LYS HG3 H 1 1.369 0.012 . . . . 1 A 17 LYS HG3 . 30005 1
233 . 1 1 17 17 LYS HD2 H 1 1.604 0.018 . . . . 1 A 17 LYS HD2 . 30005 1
234 . 1 1 17 17 LYS HD3 H 1 1.604 0.018 . . . . 1 A 17 LYS HD3 . 30005 1
235 . 1 1 17 17 LYS HE2 H 1 2.888 0.010 . . . . 1 A 17 LYS HE2 . 30005 1
236 . 1 1 17 17 LYS HE3 H 1 3.213 0.002 . . . . 1 A 17 LYS HE3 . 30005 1
237 . 1 1 17 17 LYS C C 13 180.010 0.000 . . . . 1 A 17 LYS C . 30005 1
238 . 1 1 17 17 LYS CA C 13 61.400 0.000 . . . . 1 A 17 LYS CA . 30005 1
239 . 1 1 17 17 LYS CB C 13 32.600 0.000 . . . . 1 A 17 LYS CB . 30005 1
240 . 1 1 17 17 LYS CG C 13 26.950 0.000 . . . . 1 A 17 LYS CG . 30005 1
241 . 1 1 17 17 LYS CD C 13 29.580 0.000 . . . . 1 A 17 LYS CD . 30005 1
242 . 1 1 17 17 LYS CE C 13 42.296 0.000 . . . . 1 A 17 LYS CE . 30005 1
243 . 1 1 17 17 LYS N N 15 118.260 0.113 . . . . 1 A 17 LYS N . 30005 1
244 . 1 1 18 18 ALA H H 1 7.722 0.028 . . . . 1 A 18 ALA H . 30005 1
245 . 1 1 18 18 ALA HA H 1 4.253 0.011 . . . . 1 A 18 ALA HA . 30005 1
246 . 1 1 18 18 ALA HB1 H 1 1.586 0.010 . . . . 1 A 18 ALA HB1 . 30005 1
247 . 1 1 18 18 ALA HB2 H 1 1.586 0.010 . . . . 1 A 18 ALA HB2 . 30005 1
248 . 1 1 18 18 ALA HB3 H 1 1.586 0.010 . . . . 1 A 18 ALA HB3 . 30005 1
249 . 1 1 18 18 ALA C C 13 179.910 0.000 . . . . 1 A 18 ALA C . 30005 1
250 . 1 1 18 18 ALA CA C 13 55.500 0.000 . . . . 1 A 18 ALA CA . 30005 1
251 . 1 1 18 18 ALA CB C 13 18.100 0.000 . . . . 1 A 18 ALA CB . 30005 1
252 . 1 1 18 18 ALA N N 15 123.373 0.251 . . . . 1 A 18 ALA N . 30005 1
253 . 1 1 19 19 GLN H H 1 8.336 0.027 . . . . 1 A 19 GLN H . 30005 1
254 . 1 1 19 19 GLN HA H 1 4.210 0.009 . . . . 1 A 19 GLN HA . 30005 1
255 . 1 1 19 19 GLN HB2 H 1 2.127 0.009 . . . . 1 A 19 GLN HB2 . 30005 1
256 . 1 1 19 19 GLN HB3 H 1 2.127 0.009 . . . . 1 A 19 GLN HB3 . 30005 1
257 . 1 1 19 19 GLN HG2 H 1 2.326 0.019 . . . . 1 A 19 GLN HG2 . 30005 1
258 . 1 1 19 19 GLN HG3 H 1 2.612 0.010 . . . . 1 A 19 GLN HG3 . 30005 1
259 . 1 1 19 19 GLN HE21 H 1 7.318 0.080 . . . . 1 A 19 GLN HE21 . 30005 1
260 . 1 1 19 19 GLN HE22 H 1 6.660 0.058 . . . . 1 A 19 GLN HE22 . 30005 1
261 . 1 1 19 19 GLN C C 13 180.480 0.000 . . . . 1 A 19 GLN C . 30005 1
262 . 1 1 19 19 GLN CA C 13 59.580 0.000 . . . . 1 A 19 GLN CA . 30005 1
263 . 1 1 19 19 GLN CB C 13 28.970 0.000 . . . . 1 A 19 GLN CB . 30005 1
264 . 1 1 19 19 GLN CG C 13 34.310 0.000 . . . . 1 A 19 GLN CG . 30005 1
265 . 1 1 19 19 GLN N N 15 119.041 1.225 . . . . 1 A 19 GLN N . 30005 1
266 . 1 1 20 20 LEU H H 1 8.949 0.022 . . . . 1 A 20 LEU H . 30005 1
267 . 1 1 20 20 LEU HA H 1 3.999 0.012 . . . . 1 A 20 LEU HA . 30005 1
268 . 1 1 20 20 LEU HB2 H 1 1.849 0.008 . . . . 1 A 20 LEU HB2 . 30005 1
269 . 1 1 20 20 LEU HB3 H 1 1.849 0.008 . . . . 1 A 20 LEU HB3 . 30005 1
270 . 1 1 20 20 LEU HG H 1 1.635 0.014 . . . . 1 A 20 LEU HG . 30005 1
271 . 1 1 20 20 LEU HD11 H 1 0.876 0.014 . . . . 1 A 20 LEU HD11 . 30005 1
272 . 1 1 20 20 LEU HD12 H 1 0.876 0.014 . . . . 1 A 20 LEU HD12 . 30005 1
273 . 1 1 20 20 LEU HD13 H 1 0.876 0.014 . . . . 1 A 20 LEU HD13 . 30005 1
274 . 1 1 20 20 LEU HD21 H 1 0.876 0.014 . . . . 1 A 20 LEU HD21 . 30005 1
275 . 1 1 20 20 LEU HD22 H 1 0.876 0.014 . . . . 1 A 20 LEU HD22 . 30005 1
276 . 1 1 20 20 LEU HD23 H 1 0.876 0.014 . . . . 1 A 20 LEU HD23 . 30005 1
277 . 1 1 20 20 LEU C C 13 178.110 0.000 . . . . 1 A 20 LEU C . 30005 1
278 . 1 1 20 20 LEU CA C 13 58.850 0.000 . . . . 1 A 20 LEU CA . 30005 1
279 . 1 1 20 20 LEU CB C 13 42.160 0.000 . . . . 1 A 20 LEU CB . 30005 1
280 . 1 1 20 20 LEU CG C 13 27.120 0.000 . . . . 1 A 20 LEU CG . 30005 1
281 . 1 1 20 20 LEU CD1 C 13 23.890 0.000 . . . . 1 A 20 LEU CD1 . 30005 1
282 . 1 1 20 20 LEU CD2 C 13 25.430 0.000 . . . . 1 A 20 LEU CD2 . 30005 1
283 . 1 1 20 20 LEU N N 15 123.277 0.084 . . . . 1 A 20 LEU N . 30005 1
284 . 1 1 21 21 HIS H H 1 8.142 0.022 . . . . 1 A 21 HIS H . 30005 1
285 . 1 1 21 21 HIS HA H 1 4.319 0.013 . . . . 1 A 21 HIS HA . 30005 1
286 . 1 1 21 21 HIS HB2 H 1 3.309 0.007 . . . . 1 A 21 HIS HB2 . 30005 1
287 . 1 1 21 21 HIS HB3 H 1 3.502 0.007 . . . . 1 A 21 HIS HB3 . 30005 1
288 . 1 1 21 21 HIS HE1 H 1 7.849 0.015 . . . . 1 A 21 HIS HE1 . 30005 1
289 . 1 1 21 21 HIS CA C 13 60.300 0.000 . . . . 1 A 21 HIS CA . 30005 1
290 . 1 1 21 21 HIS CB C 13 29.200 0.017 . . . . 1 A 21 HIS CB . 30005 1
291 . 1 1 21 21 HIS CE1 C 13 138.397 0.000 . . . . 1 A 21 HIS CE1 . 30005 1
292 . 1 1 21 21 HIS N N 15 119.509 0.326 . . . . 1 A 21 HIS N . 30005 1
293 . 1 1 22 22 ASP H H 1 8.413 0.036 . . . . 1 A 22 ASP H . 30005 1
294 . 1 1 22 22 ASP HA H 1 4.317 0.012 . . . . 1 A 22 ASP HA . 30005 1
295 . 1 1 22 22 ASP HB2 H 1 2.814 0.008 . . . . 1 A 22 ASP HB2 . 30005 1
296 . 1 1 22 22 ASP HB3 H 1 2.814 0.008 . . . . 1 A 22 ASP HB3 . 30005 1
297 . 1 1 22 22 ASP C C 13 179.880 0.000 . . . . 1 A 22 ASP C . 30005 1
298 . 1 1 22 22 ASP CA C 13 58.090 0.000 . . . . 1 A 22 ASP CA . 30005 1
299 . 1 1 22 22 ASP CB C 13 40.190 0.000 . . . . 1 A 22 ASP CB . 30005 1
300 . 1 1 22 22 ASP N N 15 120.311 0.277 . . . . 1 A 22 ASP N . 30005 1
301 . 1 1 23 23 THR H H 1 8.642 0.014 . . . . 1 A 23 THR H . 30005 1
302 . 1 1 23 23 THR HA H 1 4.091 0.008 . . . . 1 A 23 THR HA . 30005 1
303 . 1 1 23 23 THR HG21 H 1 1.224 0.011 . . . . 1 A 23 THR HG21 . 30005 1
304 . 1 1 23 23 THR HG22 H 1 1.224 0.011 . . . . 1 A 23 THR HG22 . 30005 1
305 . 1 1 23 23 THR HG23 H 1 1.224 0.011 . . . . 1 A 23 THR HG23 . 30005 1
306 . 1 1 23 23 THR C C 13 175.500 0.000 . . . . 1 A 23 THR C . 30005 1
307 . 1 1 23 23 THR CA C 13 67.220 0.000 . . . . 1 A 23 THR CA . 30005 1
308 . 1 1 23 23 THR CB C 13 68.990 0.000 . . . . 1 A 23 THR CB . 30005 1
309 . 1 1 23 23 THR CG2 C 13 21.730 0.000 . . . . 1 A 23 THR CG2 . 30005 1
310 . 1 1 23 23 THR N N 15 118.205 0.102 . . . . 1 A 23 THR N . 30005 1
311 . 1 1 24 24 ASN H H 1 8.536 0.034 . . . . 1 A 24 ASN H . 30005 1
312 . 1 1 24 24 ASN HA H 1 4.465 0.009 . . . . 1 A 24 ASN HA . 30005 1
313 . 1 1 24 24 ASN HB2 H 1 2.662 0.010 . . . . 1 A 24 ASN HB2 . 30005 1
314 . 1 1 24 24 ASN HB3 H 1 2.923 0.010 . . . . 1 A 24 ASN HB3 . 30005 1
315 . 1 1 24 24 ASN HD21 H 1 7.345 0.060 . . . . 1 A 24 ASN HD21 . 30005 1
316 . 1 1 24 24 ASN HD22 H 1 6.745 0.052 . . . . 1 A 24 ASN HD22 . 30005 1
317 . 1 1 24 24 ASN C C 13 178.620 0.000 . . . . 1 A 24 ASN C . 30005 1
318 . 1 1 24 24 ASN CA C 13 57.300 0.000 . . . . 1 A 24 ASN CA . 30005 1
319 . 1 1 24 24 ASN CB C 13 38.790 0.034 . . . . 1 A 24 ASN CB . 30005 1
320 . 1 1 24 24 ASN N N 15 120.653 0.166 . . . . 1 A 24 ASN N . 30005 1
321 . 1 1 24 24 ASN ND2 N 15 120.654 0.002 . . . . 1 A 24 ASN ND2 . 30005 1
322 . 1 1 25 25 MET H H 1 8.021 0.034 . . . . 1 A 25 MET H . 30005 1
323 . 1 1 25 25 MET HA H 1 4.197 0.011 . . . . 1 A 25 MET HA . 30005 1
324 . 1 1 25 25 MET HB2 H 1 2.148 0.017 . . . . 1 A 25 MET HB2 . 30005 1
325 . 1 1 25 25 MET HB3 H 1 2.148 0.017 . . . . 1 A 25 MET HB3 . 30005 1
326 . 1 1 25 25 MET HG2 H 1 2.298 0.011 . . . . 1 A 25 MET HG2 . 30005 1
327 . 1 1 25 25 MET HG3 H 1 2.514 0.011 . . . . 1 A 25 MET HG3 . 30005 1
328 . 1 1 25 25 MET C C 13 178.620 0.000 . . . . 1 A 25 MET C . 30005 1
329 . 1 1 25 25 MET CA C 13 59.150 0.000 . . . . 1 A 25 MET CA . 30005 1
330 . 1 1 25 25 MET CB C 13 32.530 0.000 . . . . 1 A 25 MET CB . 30005 1
331 . 1 1 25 25 MET CG C 13 31.780 0.000 . . . . 1 A 25 MET CG . 30005 1
332 . 1 1 25 25 MET N N 15 120.620 0.272 . . . . 1 A 25 MET N . 30005 1
333 . 1 1 26 26 GLU H H 1 7.707 0.025 . . . . 1 A 26 GLU H . 30005 1
334 . 1 1 26 26 GLU HA H 1 4.091 0.013 . . . . 1 A 26 GLU HA . 30005 1
335 . 1 1 26 26 GLU HB2 H 1 2.151 0.011 . . . . 1 A 26 GLU HB2 . 30005 1
336 . 1 1 26 26 GLU HB3 H 1 2.151 0.011 . . . . 1 A 26 GLU HB3 . 30005 1
337 . 1 1 26 26 GLU HG2 H 1 2.431 0.000 . . . . 1 A 26 GLU HG2 . 30005 1
338 . 1 1 26 26 GLU HG3 H 1 2.431 0.000 . . . . 1 A 26 GLU HG3 . 30005 1
339 . 1 1 26 26 GLU C C 13 178.830 0.000 . . . . 1 A 26 GLU C . 30005 1
340 . 1 1 26 26 GLU CA C 13 59.720 0.000 . . . . 1 A 26 GLU CA . 30005 1
341 . 1 1 26 26 GLU CB C 13 29.540 0.000 . . . . 1 A 26 GLU CB . 30005 1
342 . 1 1 26 26 GLU CG C 13 36.140 0.000 . . . . 1 A 26 GLU CG . 30005 1
343 . 1 1 26 26 GLU N N 15 121.890 0.228 . . . . 1 A 26 GLU N . 30005 1
344 . 1 1 27 27 LEU H H 1 8.453 0.032 . . . . 1 A 27 LEU H . 30005 1
345 . 1 1 27 27 LEU HA H 1 3.937 0.010 . . . . 1 A 27 LEU HA . 30005 1
346 . 1 1 27 27 LEU HB2 H 1 1.631 0.001 . . . . 1 A 27 LEU HB2 . 30005 1
347 . 1 1 27 27 LEU HB3 H 1 1.945 0.010 . . . . 1 A 27 LEU HB3 . 30005 1
348 . 1 1 27 27 LEU HG H 1 1.446 0.000 . . . . 1 A 27 LEU HG . 30005 1
349 . 1 1 27 27 LEU HD11 H 1 0.924 0.014 . . . . 1 A 27 LEU HD11 . 30005 1
350 . 1 1 27 27 LEU HD12 H 1 0.924 0.014 . . . . 1 A 27 LEU HD12 . 30005 1
351 . 1 1 27 27 LEU HD13 H 1 0.924 0.014 . . . . 1 A 27 LEU HD13 . 30005 1
352 . 1 1 27 27 LEU HD21 H 1 0.924 0.014 . . . . 1 A 27 LEU HD21 . 30005 1
353 . 1 1 27 27 LEU HD22 H 1 0.924 0.014 . . . . 1 A 27 LEU HD22 . 30005 1
354 . 1 1 27 27 LEU HD23 H 1 0.924 0.014 . . . . 1 A 27 LEU HD23 . 30005 1
355 . 1 1 27 27 LEU C C 13 178.060 0.000 . . . . 1 A 27 LEU C . 30005 1
356 . 1 1 27 27 LEU CA C 13 59.190 0.000 . . . . 1 A 27 LEU CA . 30005 1
357 . 1 1 27 27 LEU CB C 13 42.720 0.000 . . . . 1 A 27 LEU CB . 30005 1
358 . 1 1 27 27 LEU CG C 13 26.870 0.000 . . . . 1 A 27 LEU CG . 30005 1
359 . 1 1 27 27 LEU CD1 C 13 25.190 0.000 . . . . 1 A 27 LEU CD1 . 30005 1
360 . 1 1 27 27 LEU CD2 C 13 25.190 0.000 . . . . 1 A 27 LEU CD2 . 30005 1
361 . 1 1 27 27 LEU N N 15 120.393 0.232 . . . . 1 A 27 LEU N . 30005 1
362 . 1 1 28 28 THR H H 1 8.172 0.018 . . . . 1 A 28 THR H . 30005 1
363 . 1 1 28 28 THR HA H 1 3.752 0.009 . . . . 1 A 28 THR HA . 30005 1
364 . 1 1 28 28 THR HB H 1 4.304 0.000 . . . . 1 A 28 THR HB . 30005 1
365 . 1 1 28 28 THR HG21 H 1 1.248 0.013 . . . . 1 A 28 THR HG21 . 30005 1
366 . 1 1 28 28 THR HG22 H 1 1.248 0.013 . . . . 1 A 28 THR HG22 . 30005 1
367 . 1 1 28 28 THR HG23 H 1 1.248 0.013 . . . . 1 A 28 THR HG23 . 30005 1
368 . 1 1 28 28 THR C C 13 175.710 0.000 . . . . 1 A 28 THR C . 30005 1
369 . 1 1 28 28 THR CA C 13 67.460 0.000 . . . . 1 A 28 THR CA . 30005 1
370 . 1 1 28 28 THR CB C 13 69.390 0.000 . . . . 1 A 28 THR CB . 30005 1
371 . 1 1 28 28 THR CG2 C 13 21.320 0.000 . . . . 1 A 28 THR CG2 . 30005 1
372 . 1 1 28 28 THR N N 15 115.401 0.182 . . . . 1 A 28 THR N . 30005 1
373 . 1 1 29 29 ASP H H 1 7.691 0.000 . . . . 1 A 29 ASP H . 30005 1
374 . 1 1 29 29 ASP HA H 1 4.455 0.000 . . . . 1 A 29 ASP HA . 30005 1
375 . 1 1 29 29 ASP HB2 H 1 2.753 0.000 . . . . 1 A 29 ASP HB2 . 30005 1
376 . 1 1 29 29 ASP HB3 H 1 2.753 0.000 . . . . 1 A 29 ASP HB3 . 30005 1
377 . 1 1 29 29 ASP C C 13 178.850 0.000 . . . . 1 A 29 ASP C . 30005 1
378 . 1 1 29 29 ASP CA C 13 58.140 0.000 . . . . 1 A 29 ASP CA . 30005 1
379 . 1 1 29 29 ASP CB C 13 41.660 0.000 . . . . 1 A 29 ASP CB . 30005 1
380 . 1 1 29 29 ASP N N 15 121.541 0.000 . . . . 1 A 29 ASP N . 30005 1
381 . 1 1 30 30 LEU H H 1 8.470 0.009 . . . . 1 A 30 LEU H . 30005 1
382 . 1 1 30 30 LEU HA H 1 4.032 0.000 . . . . 1 A 30 LEU HA . 30005 1
383 . 1 1 30 30 LEU HB2 H 1 1.945 0.000 . . . . 1 A 30 LEU HB2 . 30005 1
384 . 1 1 30 30 LEU HB3 H 1 1.490 0.000 . . . . 1 A 30 LEU HB3 . 30005 1
385 . 1 1 30 30 LEU HG H 1 1.825 0.000 . . . . 1 A 30 LEU HG . 30005 1
386 . 1 1 30 30 LEU HD11 H 1 0.884 0.000 . . . . 1 A 30 LEU HD11 . 30005 1
387 . 1 1 30 30 LEU HD12 H 1 0.884 0.000 . . . . 1 A 30 LEU HD12 . 30005 1
388 . 1 1 30 30 LEU HD13 H 1 0.884 0.000 . . . . 1 A 30 LEU HD13 . 30005 1
389 . 1 1 30 30 LEU HD21 H 1 0.884 0.000 . . . . 1 A 30 LEU HD21 . 30005 1
390 . 1 1 30 30 LEU HD22 H 1 0.884 0.000 . . . . 1 A 30 LEU HD22 . 30005 1
391 . 1 1 30 30 LEU HD23 H 1 0.884 0.000 . . . . 1 A 30 LEU HD23 . 30005 1
392 . 1 1 30 30 LEU C C 13 179.510 0.000 . . . . 1 A 30 LEU C . 30005 1
393 . 1 1 30 30 LEU CA C 13 57.870 0.000 . . . . 1 A 30 LEU CA . 30005 1
394 . 1 1 30 30 LEU CB C 13 42.020 0.000 . . . . 1 A 30 LEU CB . 30005 1
395 . 1 1 30 30 LEU CG C 13 26.550 0.000 . . . . 1 A 30 LEU CG . 30005 1
396 . 1 1 30 30 LEU CD1 C 13 24.450 0.000 . . . . 1 A 30 LEU CD1 . 30005 1
397 . 1 1 30 30 LEU CD2 C 13 24.450 0.000 . . . . 1 A 30 LEU CD2 . 30005 1
398 . 1 1 30 30 LEU N N 15 121.160 0.016 . . . . 1 A 30 LEU N . 30005 1
399 . 1 1 31 31 LYS H H 1 8.450 0.019 . . . . 1 A 31 LYS H . 30005 1
400 . 1 1 31 31 LYS HA H 1 3.875 0.009 . . . . 1 A 31 LYS HA . 30005 1
401 . 1 1 31 31 LYS HB2 H 1 1.929 0.003 . . . . 1 A 31 LYS HB2 . 30005 1
402 . 1 1 31 31 LYS HB3 H 1 1.929 0.003 . . . . 1 A 31 LYS HB3 . 30005 1
403 . 1 1 31 31 LYS HG2 H 1 1.374 0.009 . . . . 1 A 31 LYS HG2 . 30005 1
404 . 1 1 31 31 LYS HG3 H 1 1.374 0.009 . . . . 1 A 31 LYS HG3 . 30005 1
405 . 1 1 31 31 LYS HD2 H 1 1.670 0.005 . . . . 1 A 31 LYS HD2 . 30005 1
406 . 1 1 31 31 LYS HD3 H 1 1.670 0.005 . . . . 1 A 31 LYS HD3 . 30005 1
407 . 1 1 31 31 LYS C C 13 180.220 0.000 . . . . 1 A 31 LYS C . 30005 1
408 . 1 1 31 31 LYS CA C 13 61.410 0.000 . . . . 1 A 31 LYS CA . 30005 1
409 . 1 1 31 31 LYS CB C 13 32.570 0.000 . . . . 1 A 31 LYS CB . 30005 1
410 . 1 1 31 31 LYS CG C 13 27.180 0.000 . . . . 1 A 31 LYS CG . 30005 1
411 . 1 1 31 31 LYS CD C 13 29.700 0.000 . . . . 1 A 31 LYS CD . 30005 1
412 . 1 1 31 31 LYS N N 15 118.962 0.244 . . . . 1 A 31 LYS N . 30005 1
413 . 1 1 32 32 LEU H H 1 7.685 0.027 . . . . 1 A 32 LEU H . 30005 1
414 . 1 1 32 32 LEU HA H 1 4.180 0.014 . . . . 1 A 32 LEU HA . 30005 1
415 . 1 1 32 32 LEU HB2 H 1 1.935 0.013 . . . . 1 A 32 LEU HB2 . 30005 1
416 . 1 1 32 32 LEU HB3 H 1 1.935 0.013 . . . . 1 A 32 LEU HB3 . 30005 1
417 . 1 1 32 32 LEU HG H 1 1.728 0.019 . . . . 1 A 32 LEU HG . 30005 1
418 . 1 1 32 32 LEU HD11 H 1 0.909 0.014 . . . . 1 A 32 LEU HD11 . 30005 1
419 . 1 1 32 32 LEU HD12 H 1 0.909 0.014 . . . . 1 A 32 LEU HD12 . 30005 1
420 . 1 1 32 32 LEU HD13 H 1 0.909 0.014 . . . . 1 A 32 LEU HD13 . 30005 1
421 . 1 1 32 32 LEU HD21 H 1 0.909 0.014 . . . . 1 A 32 LEU HD21 . 30005 1
422 . 1 1 32 32 LEU HD22 H 1 0.909 0.014 . . . . 1 A 32 LEU HD22 . 30005 1
423 . 1 1 32 32 LEU HD23 H 1 0.909 0.014 . . . . 1 A 32 LEU HD23 . 30005 1
424 . 1 1 32 32 LEU C C 13 180.240 0.000 . . . . 1 A 32 LEU C . 30005 1
425 . 1 1 32 32 LEU CA C 13 58.170 0.000 . . . . 1 A 32 LEU CA . 30005 1
426 . 1 1 32 32 LEU CB C 13 41.690 0.000 . . . . 1 A 32 LEU CB . 30005 1
427 . 1 1 32 32 LEU CG C 13 26.670 0.000 . . . . 1 A 32 LEU CG . 30005 1
428 . 1 1 32 32 LEU CD1 C 13 24.380 0.000 . . . . 1 A 32 LEU CD1 . 30005 1
429 . 1 1 32 32 LEU CD2 C 13 24.380 0.000 . . . . 1 A 32 LEU CD2 . 30005 1
430 . 1 1 32 32 LEU N N 15 120.508 0.211 . . . . 1 A 32 LEU N . 30005 1
431 . 1 1 33 33 GLN H H 1 8.181 0.036 . . . . 1 A 33 GLN H . 30005 1
432 . 1 1 33 33 GLN HA H 1 3.987 0.004 . . . . 1 A 33 GLN HA . 30005 1
433 . 1 1 33 33 GLN HB2 H 1 2.192 0.021 . . . . 1 A 33 GLN HB2 . 30005 1
434 . 1 1 33 33 GLN HB3 H 1 2.192 0.021 . . . . 1 A 33 GLN HB3 . 30005 1
435 . 1 1 33 33 GLN HG2 H 1 2.598 0.011 . . . . 1 A 33 GLN HG2 . 30005 1
436 . 1 1 33 33 GLN HG3 H 1 2.351 0.013 . . . . 1 A 33 GLN HG3 . 30005 1
437 . 1 1 33 33 GLN HE21 H 1 7.376 0.035 . . . . 1 A 33 GLN HE21 . 30005 1
438 . 1 1 33 33 GLN HE22 H 1 6.717 0.039 . . . . 1 A 33 GLN HE22 . 30005 1
439 . 1 1 33 33 GLN C C 13 179.840 0.000 . . . . 1 A 33 GLN C . 30005 1
440 . 1 1 33 33 GLN CA C 13 59.480 0.000 . . . . 1 A 33 GLN CA . 30005 1
441 . 1 1 33 33 GLN CB C 13 29.180 0.000 . . . . 1 A 33 GLN CB . 30005 1
442 . 1 1 33 33 GLN CG C 13 34.130 0.000 . . . . 1 A 33 GLN CG . 30005 1
443 . 1 1 33 33 GLN N N 15 119.401 0.262 . . . . 1 A 33 GLN N . 30005 1
444 . 1 1 33 33 GLN NE2 N 15 112.166 0.105 . . . . 1 A 33 GLN NE2 . 30005 1
445 . 1 1 34 34 LEU H H 1 8.603 0.040 . . . . 1 A 34 LEU H . 30005 1
446 . 1 1 34 34 LEU HA H 1 4.009 0.013 . . . . 1 A 34 LEU HA . 30005 1
447 . 1 1 34 34 LEU HB2 H 1 1.883 0.008 . . . . 1 A 34 LEU HB2 . 30005 1
448 . 1 1 34 34 LEU HB3 H 1 1.883 0.008 . . . . 1 A 34 LEU HB3 . 30005 1
449 . 1 1 34 34 LEU HG H 1 1.535 0.021 . . . . 1 A 34 LEU HG . 30005 1
450 . 1 1 34 34 LEU HD11 H 1 0.849 0.006 . . . . 1 A 34 LEU HD11 . 30005 1
451 . 1 1 34 34 LEU HD12 H 1 0.849 0.006 . . . . 1 A 34 LEU HD12 . 30005 1
452 . 1 1 34 34 LEU HD13 H 1 0.849 0.006 . . . . 1 A 34 LEU HD13 . 30005 1
453 . 1 1 34 34 LEU HD21 H 1 0.849 0.006 . . . . 1 A 34 LEU HD21 . 30005 1
454 . 1 1 34 34 LEU HD22 H 1 0.849 0.006 . . . . 1 A 34 LEU HD22 . 30005 1
455 . 1 1 34 34 LEU HD23 H 1 0.849 0.006 . . . . 1 A 34 LEU HD23 . 30005 1
456 . 1 1 34 34 LEU C C 13 179.130 0.000 . . . . 1 A 34 LEU C . 30005 1
457 . 1 1 34 34 LEU CA C 13 57.980 0.000 . . . . 1 A 34 LEU CA . 30005 1
458 . 1 1 34 34 LEU CB C 13 42.250 0.000 . . . . 1 A 34 LEU CB . 30005 1
459 . 1 1 34 34 LEU CG C 13 27.090 0.000 . . . . 1 A 34 LEU CG . 30005 1
460 . 1 1 34 34 LEU CD1 C 13 24.120 0.000 . . . . 1 A 34 LEU CD1 . 30005 1
461 . 1 1 34 34 LEU CD2 C 13 25.580 0.000 . . . . 1 A 34 LEU CD2 . 30005 1
462 . 1 1 34 34 LEU N N 15 121.581 0.160 . . . . 1 A 34 LEU N . 30005 1
463 . 1 1 35 35 GLU H H 1 7.989 0.049 . . . . 1 A 35 GLU H . 30005 1
464 . 1 1 35 35 GLU HA H 1 3.981 0.008 . . . . 1 A 35 GLU HA . 30005 1
465 . 1 1 35 35 GLU HB2 H 1 2.371 0.000 . . . . 1 A 35 GLU HB2 . 30005 1
466 . 1 1 35 35 GLU HB3 H 1 2.371 0.000 . . . . 1 A 35 GLU HB3 . 30005 1
467 . 1 1 35 35 GLU HG2 H 1 2.166 0.000 . . . . 1 A 35 GLU HG2 . 30005 1
468 . 1 1 35 35 GLU HG3 H 1 2.166 0.000 . . . . 1 A 35 GLU HG3 . 30005 1
469 . 1 1 35 35 GLU C C 13 178.880 0.000 . . . . 1 A 35 GLU C . 30005 1
470 . 1 1 35 35 GLU CA C 13 59.680 0.000 . . . . 1 A 35 GLU CA . 30005 1
471 . 1 1 35 35 GLU CB C 13 29.390 0.000 . . . . 1 A 35 GLU CB . 30005 1
472 . 1 1 35 35 GLU CG C 13 36.140 0.000 . . . . 1 A 35 GLU CG . 30005 1
473 . 1 1 35 35 GLU N N 15 120.951 0.265 . . . . 1 A 35 GLU N . 30005 1
474 . 1 1 36 36 LYS H H 1 7.772 0.022 . . . . 1 A 36 LYS H . 30005 1
475 . 1 1 36 36 LYS HA H 1 4.087 0.012 . . . . 1 A 36 LYS HA . 30005 1
476 . 1 1 36 36 LYS HB2 H 1 1.881 0.012 . . . . 1 A 36 LYS HB2 . 30005 1
477 . 1 1 36 36 LYS HB3 H 1 1.881 0.012 . . . . 1 A 36 LYS HB3 . 30005 1
478 . 1 1 36 36 LYS HG2 H 1 1.458 0.016 . . . . 1 A 36 LYS HG2 . 30005 1
479 . 1 1 36 36 LYS HG3 H 1 1.458 0.016 . . . . 1 A 36 LYS HG3 . 30005 1
480 . 1 1 36 36 LYS HD2 H 1 1.594 0.000 . . . . 1 A 36 LYS HD2 . 30005 1
481 . 1 1 36 36 LYS HD3 H 1 1.594 0.000 . . . . 1 A 36 LYS HD3 . 30005 1
482 . 1 1 36 36 LYS HE2 H 1 2.943 0.012 . . . . 1 A 36 LYS HE2 . 30005 1
483 . 1 1 36 36 LYS HE3 H 1 2.943 0.012 . . . . 1 A 36 LYS HE3 . 30005 1
484 . 1 1 36 36 LYS C C 13 178.540 0.000 . . . . 1 A 36 LYS C . 30005 1
485 . 1 1 36 36 LYS CA C 13 59.130 0.000 . . . . 1 A 36 LYS CA . 30005 1
486 . 1 1 36 36 LYS CB C 13 32.450 0.000 . . . . 1 A 36 LYS CB . 30005 1
487 . 1 1 36 36 LYS CG C 13 24.940 0.000 . . . . 1 A 36 LYS CG . 30005 1
488 . 1 1 36 36 LYS CD C 13 29.050 0.000 . . . . 1 A 36 LYS CD . 30005 1
489 . 1 1 36 36 LYS CE C 13 40.820 0.000 . . . . 1 A 36 LYS CE . 30005 1
490 . 1 1 36 36 LYS N N 15 117.639 0.224 . . . . 1 A 36 LYS N . 30005 1
491 . 1 1 37 37 ALA H H 1 7.898 0.023 . . . . 1 A 37 ALA H . 30005 1
492 . 1 1 37 37 ALA HA H 1 4.254 0.011 . . . . 1 A 37 ALA HA . 30005 1
493 . 1 1 37 37 ALA HB1 H 1 1.441 0.011 . . . . 1 A 37 ALA HB1 . 30005 1
494 . 1 1 37 37 ALA HB2 H 1 1.441 0.011 . . . . 1 A 37 ALA HB2 . 30005 1
495 . 1 1 37 37 ALA HB3 H 1 1.441 0.011 . . . . 1 A 37 ALA HB3 . 30005 1
496 . 1 1 37 37 ALA C C 13 179.170 0.000 . . . . 1 A 37 ALA C . 30005 1
497 . 1 1 37 37 ALA CA C 13 54.260 0.000 . . . . 1 A 37 ALA CA . 30005 1
498 . 1 1 37 37 ALA CB C 13 18.950 0.000 . . . . 1 A 37 ALA CB . 30005 1
499 . 1 1 37 37 ALA N N 15 120.364 0.249 . . . . 1 A 37 ALA N . 30005 1
500 . 1 1 38 38 THR H H 1 7.740 0.022 . . . . 1 A 38 THR H . 30005 1
501 . 1 1 38 38 THR HA H 1 4.320 0.005 . . . . 1 A 38 THR HA . 30005 1
502 . 1 1 38 38 THR HG21 H 1 1.237 0.011 . . . . 1 A 38 THR HG21 . 30005 1
503 . 1 1 38 38 THR HG22 H 1 1.237 0.011 . . . . 1 A 38 THR HG22 . 30005 1
504 . 1 1 38 38 THR HG23 H 1 1.237 0.011 . . . . 1 A 38 THR HG23 . 30005 1
505 . 1 1 38 38 THR C C 13 174.400 0.000 . . . . 1 A 38 THR C . 30005 1
506 . 1 1 38 38 THR CA C 13 63.350 0.000 . . . . 1 A 38 THR CA . 30005 1
507 . 1 1 38 38 THR CB C 13 70.330 0.000 . . . . 1 A 38 THR CB . 30005 1
508 . 1 1 38 38 THR CG2 C 13 21.380 0.000 . . . . 1 A 38 THR CG2 . 30005 1
509 . 1 1 38 38 THR N N 15 108.642 0.135 . . . . 1 A 38 THR N . 30005 1
510 . 1 1 39 39 GLN H H 1 7.768 0.031 . . . . 1 A 39 GLN H . 30005 1
511 . 1 1 39 39 GLN HA H 1 4.319 0.012 . . . . 1 A 39 GLN HA . 30005 1
512 . 1 1 39 39 GLN HB2 H 1 2.093 0.008 . . . . 1 A 39 GLN HB2 . 30005 1
513 . 1 1 39 39 GLN HB3 H 1 2.093 0.008 . . . . 1 A 39 GLN HB3 . 30005 1
514 . 1 1 39 39 GLN HG2 H 1 2.441 0.008 . . . . 1 A 39 GLN HG2 . 30005 1
515 . 1 1 39 39 GLN HG3 H 1 2.441 0.008 . . . . 1 A 39 GLN HG3 . 30005 1
516 . 1 1 39 39 GLN HE21 H 1 6.751 0.048 . . . . 1 A 39 GLN HE21 . 30005 1
517 . 1 1 39 39 GLN HE22 H 1 7.467 0.021 . . . . 1 A 39 GLN HE22 . 30005 1
518 . 1 1 39 39 GLN CA C 13 56.610 0.000 . . . . 1 A 39 GLN CA . 30005 1
519 . 1 1 39 39 GLN CB C 13 29.120 0.000 . . . . 1 A 39 GLN CB . 30005 1
520 . 1 1 39 39 GLN CG C 13 33.510 0.000 . . . . 1 A 39 GLN CG . 30005 1
521 . 1 1 39 39 GLN N N 15 121.650 0.000 . . . . 1 A 39 GLN N . 30005 1
522 . 1 1 39 39 GLN NE2 N 15 112.050 0.000 . . . . 1 A 39 GLN NE2 . 30005 1
523 . 1 1 40 40 ARG H H 1 8.199 0.038 . . . . 1 A 40 ARG H . 30005 1
524 . 1 1 40 40 ARG HA H 1 4.324 0.019 . . . . 1 A 40 ARG HA . 30005 1
525 . 1 1 40 40 ARG HB2 H 1 1.802 0.019 . . . . 1 A 40 ARG HB2 . 30005 1
526 . 1 1 40 40 ARG HB3 H 1 1.802 0.019 . . . . 1 A 40 ARG HB3 . 30005 1
527 . 1 1 40 40 ARG HG2 H 1 1.628 0.011 . . . . 1 A 40 ARG HG2 . 30005 1
528 . 1 1 40 40 ARG HG3 H 1 1.628 0.011 . . . . 1 A 40 ARG HG3 . 30005 1
529 . 1 1 40 40 ARG HD2 H 1 3.181 0.019 . . . . 1 A 40 ARG HD2 . 30005 1
530 . 1 1 40 40 ARG HD3 H 1 3.181 0.019 . . . . 1 A 40 ARG HD3 . 30005 1
531 . 1 1 40 40 ARG C C 13 175.200 0.000 . . . . 1 A 40 ARG C . 30005 1
532 . 1 1 40 40 ARG CA C 13 56.390 0.000 . . . . 1 A 40 ARG CA . 30005 1
533 . 1 1 40 40 ARG CB C 13 30.990 0.000 . . . . 1 A 40 ARG CB . 30005 1
534 . 1 1 40 40 ARG CG C 13 26.900 0.000 . . . . 1 A 40 ARG CG . 30005 1
535 . 1 1 40 40 ARG CD C 13 43.010 0.000 . . . . 1 A 40 ARG CD . 30005 1
536 . 1 1 40 40 ARG N N 15 122.055 0.272 . . . . 1 A 40 ARG N . 30005 1
537 . 1 1 41 41 GLN H H 1 8.426 0.018 . . . . 1 A 41 GLN H . 30005 1
538 . 1 1 41 41 GLN HA H 1 4.336 0.008 . . . . 1 A 41 GLN HA . 30005 1
539 . 1 1 41 41 GLN HB2 H 1 1.941 0.000 . . . . 1 A 41 GLN HB2 . 30005 1
540 . 1 1 41 41 GLN HB3 H 1 2.102 0.006 . . . . 1 A 41 GLN HB3 . 30005 1
541 . 1 1 41 41 GLN HG2 H 1 2.366 0.005 . . . . 1 A 41 GLN HG2 . 30005 1
542 . 1 1 41 41 GLN HG3 H 1 2.366 0.005 . . . . 1 A 41 GLN HG3 . 30005 1
543 . 1 1 41 41 GLN HE21 H 1 7.496 0.026 . . . . 1 A 41 GLN HE21 . 30005 1
544 . 1 1 41 41 GLN HE22 H 1 6.773 0.063 . . . . 1 A 41 GLN HE22 . 30005 1
545 . 1 1 41 41 GLN C C 13 175.180 0.000 . . . . 1 A 41 GLN C . 30005 1
546 . 1 1 41 41 GLN CA C 13 56.440 0.000 . . . . 1 A 41 GLN CA . 30005 1
547 . 1 1 41 41 GLN CB C 13 30.160 0.000 . . . . 1 A 41 GLN CB . 30005 1
548 . 1 1 41 41 GLN CG C 13 33.700 0.000 . . . . 1 A 41 GLN CG . 30005 1
549 . 1 1 41 41 GLN N N 15 122.672 0.215 . . . . 1 A 41 GLN N . 30005 1
550 . 1 1 42 42 GLU H H 1 8.366 0.031 . . . . 1 A 42 GLU H . 30005 1
551 . 1 1 42 42 GLU HA H 1 4.294 0.000 . . . . 1 A 42 GLU HA . 30005 1
552 . 1 1 42 42 GLU HB2 H 1 1.880 0.023 . . . . 1 A 42 GLU HB2 . 30005 1
553 . 1 1 42 42 GLU HB3 H 1 1.880 0.023 . . . . 1 A 42 GLU HB3 . 30005 1
554 . 1 1 42 42 GLU HG2 H 1 2.202 0.007 . . . . 1 A 42 GLU HG2 . 30005 1
555 . 1 1 42 42 GLU HG3 H 1 2.202 0.007 . . . . 1 A 42 GLU HG3 . 30005 1
556 . 1 1 42 42 GLU C C 13 175.320 0.000 . . . . 1 A 42 GLU C . 30005 1
557 . 1 1 42 42 GLU CA C 13 56.750 0.000 . . . . 1 A 42 GLU CA . 30005 1
558 . 1 1 42 42 GLU CB C 13 30.270 0.000 . . . . 1 A 42 GLU CB . 30005 1
559 . 1 1 42 42 GLU CG C 13 36.050 0.000 . . . . 1 A 42 GLU CG . 30005 1
560 . 1 1 42 42 GLU N N 15 122.010 0.265 . . . . 1 A 42 GLU N . 30005 1
561 . 1 1 43 43 ARG H H 1 8.141 0.025 . . . . 1 A 43 ARG H . 30005 1
562 . 1 1 43 43 ARG HA H 1 4.240 0.021 . . . . 1 A 43 ARG HA . 30005 1
563 . 1 1 43 43 ARG HB2 H 1 1.519 0.014 . . . . 1 A 43 ARG HB2 . 30005 1
564 . 1 1 43 43 ARG HB3 H 1 1.519 0.014 . . . . 1 A 43 ARG HB3 . 30005 1
565 . 1 1 43 43 ARG HG2 H 1 1.649 0.021 . . . . 1 A 43 ARG HG2 . 30005 1
566 . 1 1 43 43 ARG HG3 H 1 1.649 0.021 . . . . 1 A 43 ARG HG3 . 30005 1
567 . 1 1 43 43 ARG HD2 H 1 3.120 0.010 . . . . 1 A 43 ARG HD2 . 30005 1
568 . 1 1 43 43 ARG HD3 H 1 3.120 0.010 . . . . 1 A 43 ARG HD3 . 30005 1
569 . 1 1 43 43 ARG C C 13 175.040 0.000 . . . . 1 A 43 ARG C . 30005 1
570 . 1 1 43 43 ARG CA C 13 56.390 0.000 . . . . 1 A 43 ARG CA . 30005 1
571 . 1 1 43 43 ARG CB C 13 30.990 0.000 . . . . 1 A 43 ARG CB . 30005 1
572 . 1 1 43 43 ARG CG C 13 26.970 0.000 . . . . 1 A 43 ARG CG . 30005 1
573 . 1 1 43 43 ARG CD C 13 43.070 0.000 . . . . 1 A 43 ARG CD . 30005 1
574 . 1 1 43 43 ARG N N 15 121.681 0.277 . . . . 1 A 43 ARG N . 30005 1
575 . 1 1 44 44 PHE H H 1 8.230 0.023 . . . . 1 A 44 PHE H . 30005 1
576 . 1 1 44 44 PHE HA H 1 4.659 0.001 . . . . 1 A 44 PHE HA . 30005 1
577 . 1 1 44 44 PHE HB2 H 1 2.959 0.007 . . . . 1 A 44 PHE HB2 . 30005 1
578 . 1 1 44 44 PHE HB3 H 1 3.189 0.020 . . . . 1 A 44 PHE HB3 . 30005 1
579 . 1 1 44 44 PHE HE1 H 1 7.321 0.000 . . . . 1 A 44 PHE HE1 . 30005 1
580 . 1 1 44 44 PHE HE2 H 1 7.321 0.000 . . . . 1 A 44 PHE HE2 . 30005 1
581 . 1 1 44 44 PHE C C 13 173.380 0.000 . . . . 1 A 44 PHE C . 30005 1
582 . 1 1 44 44 PHE CA C 13 57.780 0.000 . . . . 1 A 44 PHE CA . 30005 1
583 . 1 1 44 44 PHE CB C 13 39.570 0.000 . . . . 1 A 44 PHE CB . 30005 1
584 . 1 1 44 44 PHE N N 15 121.563 0.246 . . . . 1 A 44 PHE N . 30005 1
585 . 1 1 45 45 ALA H H 1 7.792 0.023 . . . . 1 A 45 ALA H . 30005 1
586 . 1 1 45 45 ALA CA C 13 54.180 0.000 . . . . 1 A 45 ALA CA . 30005 1
587 . 1 1 45 45 ALA CB C 13 20.450 0.000 . . . . 1 A 45 ALA CB . 30005 1
588 . 1 1 45 45 ALA N N 15 130.312 0.210 . . . . 1 A 45 ALA N . 30005 1
589 . 1 1 46 46 ARG HA H 1 4.416 0.000 . . . . 1 A 46 ARG HA . 30005 1
590 . 1 1 46 46 ARG HB2 H 1 1.651 0.000 . . . . 1 A 46 ARG HB2 . 30005 1
591 . 1 1 46 46 ARG HB3 H 1 1.929 0.000 . . . . 1 A 46 ARG HB3 . 30005 1
592 . 1 1 46 46 ARG HG2 H 1 1.785 0.000 . . . . 1 A 46 ARG HG2 . 30005 1
593 . 1 1 46 46 ARG HG3 H 1 1.785 0.000 . . . . 1 A 46 ARG HG3 . 30005 1
594 . 1 1 46 46 ARG HD2 H 1 3.210 0.000 . . . . 1 A 46 ARG HD2 . 30005 1
595 . 1 1 46 46 ARG HD3 H 1 3.210 0.000 . . . . 1 A 46 ARG HD3 . 30005 1
596 . 1 1 46 46 ARG C C 13 174.570 0.000 . . . . 1 A 46 ARG C . 30005 1
597 . 1 1 46 46 ARG CA C 13 55.910 0.000 . . . . 1 A 46 ARG CA . 30005 1
598 . 1 1 46 46 ARG CB C 13 31.020 0.000 . . . . 1 A 46 ARG CB . 30005 1
599 . 1 1 47 47 SER H H 1 7.992 0.028 . . . . 1 A 47 SER H . 30005 1
600 . 1 1 47 47 SER N N 15 122.830 0.227 . . . . 1 A 47 SER N . 30005 1
601 . 1 1 47 47 SER CA C 13 60.290 0.000 . . . . 1 A 47 SER CA . 30005 1
602 . 1 1 47 47 SER CB C 13 65.210 0.000 . . . . 1 A 47 SER CB . 30005 1
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