Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 36771
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36771 1
2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 36771 1
3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 36771 1
4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36771 1
5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36771 1
6 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 36771 1
7 '3D HNCA' 1 $sample_1 isotropic 36771 1
8 '3D HN(CO)CA' 1 $sample_1 isotropic 36771 1
9 '3D HNCO' 1 $sample_1 isotropic 36771 1
10 '3D HCACO' 1 $sample_1 isotropic 36771 1
11 '3D HNHA' 1 $sample_1 isotropic 36771 1
12 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36771 1
13 '3D HNCACB' 1 $sample_1 isotropic 36771 1
14 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36771 1
15 '3D H(CCO)NH' 1 $sample_1 isotropic 36771 1
16 '2D 1H-1H NOESY' 2 $sample_2 isotropic 36771 1
17 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 36771 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 4 4 GLY H H 1 8.336 0.001 . 1 . . . . A 23 GLY H . 36771 1
2 . 1 . 1 4 4 GLY HA2 H 1 4.011 0.016 . 2 . . . . A 23 GLY HA2 . 36771 1
3 . 1 . 1 4 4 GLY HA3 H 1 3.891 0.002 . 2 . . . . A 23 GLY HA3 . 36771 1
4 . 1 . 1 4 4 GLY C C 13 176.354 0.002 . 1 . . . . A 23 GLY C . 36771 1
5 . 1 . 1 4 4 GLY CA C 13 45.537 0.002 . 1 . . . . A 23 GLY CA . 36771 1
6 . 1 . 1 4 4 GLY N N 15 114.216 0.002 . 1 . . . . A 23 GLY N . 36771 1
7 . 1 . 1 5 5 TRP H H 1 8.470 0.005 . 1 . . . . A 24 TRP H . 36771 1
8 . 1 . 1 5 5 TRP HA H 1 4.562 0.009 . 1 . . . . A 24 TRP HA . 36771 1
9 . 1 . 1 5 5 TRP HB2 H 1 3.317 0.012 . 2 . . . . A 24 TRP HB2 . 36771 1
10 . 1 . 1 5 5 TRP HB3 H 1 3.036 0.009 . 2 . . . . A 24 TRP HB3 . 36771 1
11 . 1 . 1 5 5 TRP HE1 H 1 10.343 0.002 . 1 . . . . A 24 TRP HE1 . 36771 1
12 . 1 . 1 5 5 TRP C C 13 173.664 0.002 . 1 . . . . A 24 TRP C . 36771 1
13 . 1 . 1 5 5 TRP CA C 13 57.617 0.001 . 1 . . . . A 24 TRP CA . 36771 1
14 . 1 . 1 5 5 TRP CB C 13 29.736 0.021 . 1 . . . . A 24 TRP CB . 36771 1
15 . 1 . 1 5 5 TRP N N 15 122.739 0.004 . 1 . . . . A 24 TRP N . 36771 1
16 . 1 . 1 5 5 TRP NE1 N 15 129.441 0.002 . 1 . . . . A 24 TRP NE1 . 36771 1
17 . 1 . 1 6 6 GLU H H 1 9.037 0.005 . 1 . . . . A 25 GLU H . 36771 1
18 . 1 . 1 6 6 GLU HA H 1 4.498 0.011 . 1 . . . . A 25 GLU HA . 36771 1
19 . 1 . 1 6 6 GLU HB2 H 1 2.074 0.008 . 2 . . . . A 25 GLU HB2 . 36771 1
20 . 1 . 1 6 6 GLU HB3 H 1 2.102 0.007 . 2 . . . . A 25 GLU HB3 . 36771 1
21 . 1 . 1 6 6 GLU HG2 H 1 2.300 0.003 . 2 . . . . A 25 GLU HG2 . 36771 1
22 . 1 . 1 6 6 GLU HG3 H 1 2.190 0.001 . 2 . . . . A 25 GLU HG3 . 36771 1
23 . 1 . 1 6 6 GLU C C 13 176.075 0.002 . 1 . . . . A 25 GLU C . 36771 1
24 . 1 . 1 6 6 GLU CA C 13 55.893 0.017 . 1 . . . . A 25 GLU CA . 36771 1
25 . 1 . 1 6 6 GLU CB C 13 29.883 0.001 . 1 . . . . A 25 GLU CB . 36771 1
26 . 1 . 1 6 6 GLU CG C 13 36.321 0.001 . 1 . . . . A 25 GLU CG . 36771 1
27 . 1 . 1 6 6 GLU N N 15 125.945 0.012 . 1 . . . . A 25 GLU N . 36771 1
28 . 1 . 1 7 7 VAL H H 1 8.287 0.003 . 1 . . . . A 26 VAL H . 36771 1
29 . 1 . 1 7 7 VAL HA H 1 4.231 0.003 . 1 . . . . A 26 VAL HA . 36771 1
30 . 1 . 1 7 7 VAL HB H 1 1.784 0.008 . 1 . . . . A 26 VAL HB . 36771 1
31 . 1 . 1 7 7 VAL HG11 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG11 . 36771 1
32 . 1 . 1 7 7 VAL HG12 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG12 . 36771 1
33 . 1 . 1 7 7 VAL HG13 H 1 0.622 0.006 . 2 . . . . A 26 VAL HG13 . 36771 1
34 . 1 . 1 7 7 VAL HG21 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG21 . 36771 1
35 . 1 . 1 7 7 VAL HG22 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG22 . 36771 1
36 . 1 . 1 7 7 VAL HG23 H 1 0.929 0.016 . 2 . . . . A 26 VAL HG23 . 36771 1
37 . 1 . 1 7 7 VAL C C 13 175.075 0.002 . 1 . . . . A 26 VAL C . 36771 1
38 . 1 . 1 7 7 VAL CA C 13 59.727 0.050 . 1 . . . . A 26 VAL CA . 36771 1
39 . 1 . 1 7 7 VAL CB C 13 34.092 0.011 . 1 . . . . A 26 VAL CB . 36771 1
40 . 1 . 1 7 7 VAL CG1 C 13 20.364 0.025 . 2 . . . . A 26 VAL CG1 . 36771 1
41 . 1 . 1 7 7 VAL CG2 C 13 20.429 0.001 . 2 . . . . A 26 VAL CG2 . 36771 1
42 . 1 . 1 7 7 VAL N N 15 125.727 0.012 . 1 . . . . A 26 VAL N . 36771 1
43 . 1 . 1 8 8 PRO HA H 1 4.396 0.005 . 1 . . . . A 27 PRO HA . 36771 1
44 . 1 . 1 8 8 PRO HB2 H 1 2.546 0.009 . 2 . . . . A 27 PRO HB2 . 36771 1
45 . 1 . 1 8 8 PRO HB3 H 1 1.714 0.006 . 2 . . . . A 27 PRO HB3 . 36771 1
46 . 1 . 1 8 8 PRO HD2 H 1 2.577 0.010 . 2 . . . . A 27 PRO HD2 . 36771 1
47 . 1 . 1 8 8 PRO HD3 H 1 3.796 0.004 . 2 . . . . A 27 PRO HD3 . 36771 1
48 . 1 . 1 8 8 PRO CA C 13 62.887 0.010 . 1 . . . . A 27 PRO CA . 36771 1
49 . 1 . 1 8 8 PRO CB C 13 32.678 0.038 . 1 . . . . A 27 PRO CB . 36771 1
50 . 1 . 1 8 8 PRO CD C 13 51.253 0.017 . 1 . . . . A 27 PRO CD . 36771 1
51 . 1 . 1 9 9 GLU H H 1 8.888 0.013 . 1 . . . . A 28 GLU H . 36771 1
52 . 1 . 1 9 9 GLU HA H 1 3.838 0.007 . 1 . . . . A 28 GLU HA . 36771 1
53 . 1 . 1 9 9 GLU HB2 H 1 2.084 0.007 . 2 . . . . A 28 GLU HB2 . 36771 1
54 . 1 . 1 9 9 GLU HB3 H 1 2.044 0.001 . 2 . . . . A 28 GLU HB3 . 36771 1
55 . 1 . 1 9 9 GLU HG2 H 1 2.321 0.006 . 2 . . . . A 28 GLU HG2 . 36771 1
56 . 1 . 1 9 9 GLU HG3 H 1 2.363 0.001 . 2 . . . . A 28 GLU HG3 . 36771 1
57 . 1 . 1 9 9 GLU C C 13 178.052 0.002 . 1 . . . . A 28 GLU C . 36771 1
58 . 1 . 1 9 9 GLU CA C 13 60.254 0.036 . 1 . . . . A 28 GLU CA . 36771 1
59 . 1 . 1 9 9 GLU CB C 13 29.626 0.001 . 1 . . . . A 28 GLU CB . 36771 1
60 . 1 . 1 9 9 GLU CG C 13 36.500 0.002 . 1 . . . . A 28 GLU CG . 36771 1
61 . 1 . 1 9 9 GLU N N 15 126.268 0.008 . 1 . . . . A 28 GLU N . 36771 1
62 . 1 . 1 10 10 ALA H H 1 8.714 0.001 . 1 . . . . A 29 ALA H . 36771 1
63 . 1 . 1 10 10 ALA HA H 1 4.082 0.009 . 1 . . . . A 29 ALA HA . 36771 1
64 . 1 . 1 10 10 ALA HB1 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB1 . 36771 1
65 . 1 . 1 10 10 ALA HB2 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB2 . 36771 1
66 . 1 . 1 10 10 ALA HB3 H 1 1.402 0.012 . 1 . . . . A 29 ALA HB3 . 36771 1
67 . 1 . 1 10 10 ALA C C 13 177.856 0.002 . 1 . . . . A 29 ALA C . 36771 1
68 . 1 . 1 10 10 ALA CA C 13 54.756 0.022 . 1 . . . . A 29 ALA CA . 36771 1
69 . 1 . 1 10 10 ALA CB C 13 18.682 0.006 . 1 . . . . A 29 ALA CB . 36771 1
70 . 1 . 1 10 10 ALA N N 15 117.466 0.025 . 1 . . . . A 29 ALA N . 36771 1
71 . 1 . 1 11 11 GLU H H 1 7.283 0.005 . 1 . . . . A 30 GLU H . 36771 1
72 . 1 . 1 11 11 GLU HA H 1 4.285 0.010 . 1 . . . . A 30 GLU HA . 36771 1
73 . 1 . 1 11 11 GLU HB2 H 1 1.815 0.015 . 2 . . . . A 30 GLU HB2 . 36771 1
74 . 1 . 1 11 11 GLU HB3 H 1 1.571 0.008 . 2 . . . . A 30 GLU HB3 . 36771 1
75 . 1 . 1 11 11 GLU HG2 H 1 2.123 0.019 . 2 . . . . A 30 GLU HG2 . 36771 1
76 . 1 . 1 11 11 GLU HG3 H 1 2.123 0.019 . 2 . . . . A 30 GLU HG3 . 36771 1
77 . 1 . 1 11 11 GLU C C 13 180.368 0.002 . 1 . . . . A 30 GLU C . 36771 1
78 . 1 . 1 11 11 GLU CA C 13 56.912 0.041 . 1 . . . . A 30 GLU CA . 36771 1
79 . 1 . 1 11 11 GLU CB C 13 28.398 0.018 . 1 . . . . A 30 GLU CB . 36771 1
80 . 1 . 1 11 11 GLU CG C 13 35.007 0.036 . 1 . . . . A 30 GLU CG . 36771 1
81 . 1 . 1 11 11 GLU N N 15 112.620 0.006 . 1 . . . . A 30 GLU N . 36771 1
82 . 1 . 1 12 12 ILE H H 1 7.315 0.008 . 1 . . . . A 31 ILE H . 36771 1
83 . 1 . 1 12 12 ILE HA H 1 3.226 0.007 . 1 . . . . A 31 ILE HA . 36771 1
84 . 1 . 1 12 12 ILE HB H 1 1.703 0.007 . 1 . . . . A 31 ILE HB . 36771 1
85 . 1 . 1 12 12 ILE HG12 H 1 0.871 0.012 . 2 . . . . A 31 ILE HG12 . 36771 1
86 . 1 . 1 12 12 ILE HG13 H 1 1.413 0.013 . 2 . . . . A 31 ILE HG13 . 36771 1
87 . 1 . 1 12 12 ILE HG21 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG21 . 36771 1
88 . 1 . 1 12 12 ILE HG22 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG22 . 36771 1
89 . 1 . 1 12 12 ILE HG23 H 1 0.654 0.009 . 1 . . . . A 31 ILE HG23 . 36771 1
90 . 1 . 1 12 12 ILE HD11 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD11 . 36771 1
91 . 1 . 1 12 12 ILE HD12 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD12 . 36771 1
92 . 1 . 1 12 12 ILE HD13 H 1 0.800 0.004 . 1 . . . . A 31 ILE HD13 . 36771 1
93 . 1 . 1 12 12 ILE C C 13 178.068 0.002 . 1 . . . . A 31 ILE C . 36771 1
94 . 1 . 1 12 12 ILE CA C 13 64.948 0.012 . 1 . . . . A 31 ILE CA . 36771 1
95 . 1 . 1 12 12 ILE CB C 13 37.745 0.026 . 1 . . . . A 31 ILE CB . 36771 1
96 . 1 . 1 12 12 ILE CG1 C 13 28.942 0.009 . 1 . . . . A 31 ILE CG1 . 36771 1
97 . 1 . 1 12 12 ILE CG2 C 13 16.617 0.023 . 1 . . . . A 31 ILE CG2 . 36771 1
98 . 1 . 1 12 12 ILE CD1 C 13 13.424 0.021 . 1 . . . . A 31 ILE CD1 . 36771 1
99 . 1 . 1 12 12 ILE N N 15 117.800 0.019 . 1 . . . . A 31 ILE N . 36771 1
100 . 1 . 1 13 13 HIS H H 1 7.261 0.005 . 1 . . . . A 32 HIS H . 36771 1
101 . 1 . 1 13 13 HIS HA H 1 4.682 0.028 . 1 . . . . A 32 HIS HA . 36771 1
102 . 1 . 1 13 13 HIS HB2 H 1 3.443 0.007 . 2 . . . . A 32 HIS HB2 . 36771 1
103 . 1 . 1 13 13 HIS HB3 H 1 2.863 0.006 . 2 . . . . A 32 HIS HB3 . 36771 1
104 . 1 . 1 13 13 HIS C C 13 178.852 0.002 . 1 . . . . A 32 HIS C . 36771 1
105 . 1 . 1 13 13 HIS CA C 13 55.744 0.001 . 1 . . . . A 32 HIS CA . 36771 1
106 . 1 . 1 13 13 HIS CB C 13 30.072 0.033 . 1 . . . . A 32 HIS CB . 36771 1
107 . 1 . 1 13 13 HIS N N 15 114.162 0.011 . 1 . . . . A 32 HIS N . 36771 1
108 . 1 . 1 14 14 ARG H H 1 7.154 0.015 . 1 . . . . A 33 ARG H . 36771 1
109 . 1 . 1 14 14 ARG HA H 1 4.103 0.006 . 1 . . . . A 33 ARG HA . 36771 1
110 . 1 . 1 14 14 ARG HB2 H 1 2.088 0.012 . 2 . . . . A 33 ARG HB2 . 36771 1
111 . 1 . 1 14 14 ARG HB3 H 1 2.069 0.006 . 2 . . . . A 33 ARG HB3 . 36771 1
112 . 1 . 1 14 14 ARG HG2 H 1 1.799 0.010 . 2 . . . . A 33 ARG HG2 . 36771 1
113 . 1 . 1 14 14 ARG HG3 H 1 1.890 0.004 . 2 . . . . A 33 ARG HG3 . 36771 1
114 . 1 . 1 14 14 ARG HD2 H 1 3.435 0.009 . 2 . . . . A 33 ARG HD2 . 36771 1
115 . 1 . 1 14 14 ARG HD3 H 1 3.661 0.002 . 2 . . . . A 33 ARG HD3 . 36771 1
116 . 1 . 1 14 14 ARG C C 13 174.136 0.002 . 1 . . . . A 33 ARG C . 36771 1
117 . 1 . 1 14 14 ARG CA C 13 57.710 0.040 . 1 . . . . A 33 ARG CA . 36771 1
118 . 1 . 1 14 14 ARG CB C 13 30.947 0.005 . 1 . . . . A 33 ARG CB . 36771 1
119 . 1 . 1 14 14 ARG CG C 13 27.226 0.003 . 1 . . . . A 33 ARG CG . 36771 1
120 . 1 . 1 14 14 ARG CD C 13 43.728 0.020 . 1 . . . . A 33 ARG CD . 36771 1
121 . 1 . 1 14 14 ARG N N 15 123.732 0.013 . 1 . . . . A 33 ARG N . 36771 1
122 . 1 . 1 15 15 GLU H H 1 8.569 0.004 . 1 . . . . A 34 GLU H . 36771 1
123 . 1 . 1 15 15 GLU HA H 1 4.004 0.003 . 1 . . . . A 34 GLU HA . 36771 1
124 . 1 . 1 15 15 GLU HB2 H 1 1.747 0.009 . 2 . . . . A 34 GLU HB2 . 36771 1
125 . 1 . 1 15 15 GLU HB3 H 1 1.749 0.009 . 2 . . . . A 34 GLU HB3 . 36771 1
126 . 1 . 1 15 15 GLU HG2 H 1 1.997 0.010 . 2 . . . . A 34 GLU HG2 . 36771 1
127 . 1 . 1 15 15 GLU HG3 H 1 2.176 0.013 . 2 . . . . A 34 GLU HG3 . 36771 1
128 . 1 . 1 15 15 GLU C C 13 175.635 0.002 . 1 . . . . A 34 GLU C . 36771 1
129 . 1 . 1 15 15 GLU CA C 13 56.086 0.026 . 1 . . . . A 34 GLU CA . 36771 1
130 . 1 . 1 15 15 GLU CB C 13 30.677 0.023 . 1 . . . . A 34 GLU CB . 36771 1
131 . 1 . 1 15 15 GLU CG C 13 36.374 0.017 . 1 . . . . A 34 GLU CG . 36771 1
132 . 1 . 1 15 15 GLU N N 15 127.534 0.007 . 1 . . . . A 34 GLU N . 36771 1
133 . 1 . 1 16 16 ASN H H 1 8.299 0.004 . 1 . . . . A 35 ASN H . 36771 1
134 . 1 . 1 16 16 ASN HA H 1 2.377 0.003 . 1 . . . . A 35 ASN HA . 36771 1
135 . 1 . 1 16 16 ASN HB2 H 1 2.184 0.010 . 2 . . . . A 35 ASN HB2 . 36771 1
136 . 1 . 1 16 16 ASN HB3 H 1 2.778 0.010 . 2 . . . . A 35 ASN HB3 . 36771 1
137 . 1 . 1 16 16 ASN HD21 H 1 7.436 0.019 . 1 . . . . A 35 ASN HD21 . 36771 1
138 . 1 . 1 16 16 ASN HD22 H 1 6.069 0.008 . 1 . . . . A 35 ASN HD22 . 36771 1
139 . 1 . 1 16 16 ASN C C 13 174.727 0.002 . 1 . . . . A 35 ASN C . 36771 1
140 . 1 . 1 16 16 ASN CA C 13 48.544 0.038 . 1 . . . . A 35 ASN CA . 36771 1
141 . 1 . 1 16 16 ASN CB C 13 39.620 0.020 . 1 . . . . A 35 ASN CB . 36771 1
142 . 1 . 1 16 16 ASN N N 15 122.178 0.006 . 1 . . . . A 35 ASN N . 36771 1
143 . 1 . 1 16 16 ASN ND2 N 15 105.278 0.003 . 1 . . . . A 35 ASN ND2 . 36771 1
144 . 1 . 1 17 17 PRO HA H 1 4.298 0.002 . 1 . . . . A 36 PRO HA . 36771 1
145 . 1 . 1 17 17 PRO HB2 H 1 1.874 0.004 . 2 . . . . A 36 PRO HB2 . 36771 1
146 . 1 . 1 17 17 PRO HB3 H 1 1.874 0.004 . 2 . . . . A 36 PRO HB3 . 36771 1
147 . 1 . 1 17 17 PRO HG2 H 1 1.803 0.012 . 2 . . . . A 36 PRO HG2 . 36771 1
148 . 1 . 1 17 17 PRO HG3 H 1 1.340 0.026 . 2 . . . . A 36 PRO HG3 . 36771 1
149 . 1 . 1 17 17 PRO HD2 H 1 1.468 0.003 . 2 . . . . A 36 PRO HD2 . 36771 1
150 . 1 . 1 17 17 PRO HD3 H 1 3.243 0.006 . 2 . . . . A 36 PRO HD3 . 36771 1
151 . 1 . 1 17 17 PRO CA C 13 62.794 0.001 . 1 . . . . A 36 PRO CA . 36771 1
152 . 1 . 1 17 17 PRO CB C 13 32.301 0.041 . 1 . . . . A 36 PRO CB . 36771 1
153 . 1 . 1 17 17 PRO CG C 13 25.280 0.007 . 1 . . . . A 36 PRO CG . 36771 1
154 . 1 . 1 17 17 PRO CD C 13 48.334 0.008 . 1 . . . . A 36 PRO CD . 36771 1
155 . 1 . 1 18 18 ILE H H 1 7.858 0.001 . 1 . . . . A 37 ILE H . 36771 1
156 . 1 . 1 18 18 ILE HA H 1 4.352 0.004 . 1 . . . . A 37 ILE HA . 36771 1
157 . 1 . 1 18 18 ILE HB H 1 2.188 0.011 . 1 . . . . A 37 ILE HB . 36771 1
158 . 1 . 1 18 18 ILE HG12 H 1 1.376 0.009 . 2 . . . . A 37 ILE HG12 . 36771 1
159 . 1 . 1 18 18 ILE HG13 H 1 1.376 0.011 . 2 . . . . A 37 ILE HG13 . 36771 1
160 . 1 . 1 18 18 ILE HG21 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG21 . 36771 1
161 . 1 . 1 18 18 ILE HG22 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG22 . 36771 1
162 . 1 . 1 18 18 ILE HG23 H 1 0.801 0.003 . 1 . . . . A 37 ILE HG23 . 36771 1
163 . 1 . 1 18 18 ILE HD11 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD11 . 36771 1
164 . 1 . 1 18 18 ILE HD12 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD12 . 36771 1
165 . 1 . 1 18 18 ILE HD13 H 1 0.640 0.007 . 1 . . . . A 37 ILE HD13 . 36771 1
166 . 1 . 1 18 18 ILE C C 13 175.676 0.002 . 1 . . . . A 37 ILE C . 36771 1
167 . 1 . 1 18 18 ILE CA C 13 55.158 0.001 . 1 . . . . A 37 ILE CA . 36771 1
168 . 1 . 1 18 18 ILE CB C 13 36.310 0.001 . 1 . . . . A 37 ILE CB . 36771 1
169 . 1 . 1 18 18 ILE CG1 C 13 27.628 0.001 . 1 . . . . A 37 ILE CG1 . 36771 1
170 . 1 . 1 18 18 ILE CG2 C 13 16.263 0.027 . 1 . . . . A 37 ILE CG2 . 36771 1
171 . 1 . 1 18 18 ILE CD1 C 13 8.763 0.016 . 1 . . . . A 37 ILE CD1 . 36771 1
172 . 1 . 1 18 18 ILE N N 15 124.469 0.011 . 1 . . . . A 37 ILE N . 36771 1
173 . 1 . 1 20 20 PRO HA H 1 4.568 0.012 . 1 . . . . A 39 PRO HA . 36771 1
174 . 1 . 1 20 20 PRO HB2 H 1 2.313 0.009 . 2 . . . . A 39 PRO HB2 . 36771 1
175 . 1 . 1 20 20 PRO HB3 H 1 2.313 0.009 . 2 . . . . A 39 PRO HB3 . 36771 1
176 . 1 . 1 20 20 PRO HD2 H 1 3.620 0.002 . 2 . . . . A 39 PRO HD2 . 36771 1
177 . 1 . 1 20 20 PRO HD3 H 1 3.506 0.004 . 2 . . . . A 39 PRO HD3 . 36771 1
178 . 1 . 1 20 20 PRO CA C 13 61.704 0.015 . 1 . . . . A 39 PRO CA . 36771 1
179 . 1 . 1 20 20 PRO CB C 13 28.028 0.001 . 1 . . . . A 39 PRO CB . 36771 1
180 . 1 . 1 20 20 PRO CD C 13 49.508 0.032 . 1 . . . . A 39 PRO CD . 36771 1
181 . 1 . 1 21 21 ASP H H 1 8.245 0.004 . 1 . . . . A 40 ASP H . 36771 1
182 . 1 . 1 21 21 ASP HA H 1 4.474 0.010 . 1 . . . . A 40 ASP HA . 36771 1
183 . 1 . 1 21 21 ASP HB2 H 1 3.118 0.008 . 2 . . . . A 40 ASP HB2 . 36771 1
184 . 1 . 1 21 21 ASP HB3 H 1 2.541 0.010 . 2 . . . . A 40 ASP HB3 . 36771 1
185 . 1 . 1 21 21 ASP C C 13 174.871 0.002 . 1 . . . . A 40 ASP C . 36771 1
186 . 1 . 1 21 21 ASP CA C 13 51.801 0.008 . 1 . . . . A 40 ASP CA . 36771 1
187 . 1 . 1 21 21 ASP CB C 13 41.323 0.032 . 1 . . . . A 40 ASP CB . 36771 1
188 . 1 . 1 21 21 ASP N N 15 123.068 0.012 . 1 . . . . A 40 ASP N . 36771 1
189 . 1 . 1 22 22 ALA H H 1 8.069 0.004 . 1 . . . . A 41 ALA H . 36771 1
190 . 1 . 1 22 22 ALA HA H 1 3.924 0.006 . 1 . . . . A 41 ALA HA . 36771 1
191 . 1 . 1 22 22 ALA HB1 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB1 . 36771 1
192 . 1 . 1 22 22 ALA HB2 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB2 . 36771 1
193 . 1 . 1 22 22 ALA HB3 H 1 1.373 0.003 . 1 . . . . A 41 ALA HB3 . 36771 1
194 . 1 . 1 22 22 ALA C C 13 174.811 0.002 . 1 . . . . A 41 ALA C . 36771 1
195 . 1 . 1 22 22 ALA CA C 13 55.676 0.025 . 1 . . . . A 41 ALA CA . 36771 1
196 . 1 . 1 22 22 ALA CB C 13 18.144 0.013 . 1 . . . . A 41 ALA CB . 36771 1
197 . 1 . 1 22 22 ALA N N 15 119.358 0.005 . 1 . . . . A 41 ALA N . 36771 1
198 . 1 . 1 23 23 ARG H H 1 7.614 0.008 . 1 . . . . A 42 ARG H . 36771 1
199 . 1 . 1 23 23 ARG HA H 1 3.897 0.009 . 1 . . . . A 42 ARG HA . 36771 1
200 . 1 . 1 23 23 ARG HB2 H 1 1.859 0.002 . 2 . . . . A 42 ARG HB2 . 36771 1
201 . 1 . 1 23 23 ARG HB3 H 1 1.734 0.005 . 2 . . . . A 42 ARG HB3 . 36771 1
202 . 1 . 1 23 23 ARG HG2 H 1 1.621 0.003 . 2 . . . . A 42 ARG HG2 . 36771 1
203 . 1 . 1 23 23 ARG HG3 H 1 1.582 0.007 . 2 . . . . A 42 ARG HG3 . 36771 1
204 . 1 . 1 23 23 ARG HD2 H 1 2.991 0.011 . 2 . . . . A 42 ARG HD2 . 36771 1
205 . 1 . 1 23 23 ARG HD3 H 1 3.298 0.014 . 2 . . . . A 42 ARG HD3 . 36771 1
206 . 1 . 1 23 23 ARG C C 13 179.811 0.002 . 1 . . . . A 42 ARG C . 36771 1
207 . 1 . 1 23 23 ARG CA C 13 59.446 0.029 . 1 . . . . A 42 ARG CA . 36771 1
208 . 1 . 1 23 23 ARG CB C 13 27.703 0.001 . 1 . . . . A 42 ARG CB . 36771 1
209 . 1 . 1 23 23 ARG CG C 13 24.169 0.001 . 1 . . . . A 42 ARG CG . 36771 1
210 . 1 . 1 23 23 ARG CD C 13 41.586 0.065 . 1 . . . . A 42 ARG CD . 36771 1
211 . 1 . 1 23 23 ARG N N 15 116.884 0.005 . 1 . . . . A 42 ARG N . 36771 1
212 . 1 . 1 24 24 SER H H 1 7.938 0.010 . 1 . . . . A 43 SER H . 36771 1
213 . 1 . 1 24 24 SER HA H 1 3.836 0.005 . 1 . . . . A 43 SER HA . 36771 1
214 . 1 . 1 24 24 SER HB2 H 1 4.069 0.015 . 2 . . . . A 43 SER HB2 . 36771 1
215 . 1 . 1 24 24 SER HB3 H 1 3.941 0.006 . 2 . . . . A 43 SER HB3 . 36771 1
216 . 1 . 1 24 24 SER C C 13 178.495 0.002 . 1 . . . . A 43 SER C . 36771 1
217 . 1 . 1 24 24 SER CA C 13 61.153 0.012 . 1 . . . . A 43 SER CA . 36771 1
218 . 1 . 1 24 24 SER CB C 13 65.212 0.028 . 1 . . . . A 43 SER CB . 36771 1
219 . 1 . 1 24 24 SER N N 15 113.699 0.005 . 1 . . . . A 43 SER N . 36771 1
220 . 1 . 1 25 25 LEU H H 1 8.263 0.009 . 1 . . . . A 44 LEU H . 36771 1
221 . 1 . 1 25 25 LEU HA H 1 3.946 0.011 . 1 . . . . A 44 LEU HA . 36771 1
222 . 1 . 1 25 25 LEU HB2 H 1 1.483 0.009 . 2 . . . . A 44 LEU HB2 . 36771 1
223 . 1 . 1 25 25 LEU HB3 H 1 1.749 0.018 . 2 . . . . A 44 LEU HB3 . 36771 1
224 . 1 . 1 25 25 LEU HG H 1 1.729 0.006 . 1 . . . . A 44 LEU HG . 36771 1
225 . 1 . 1 25 25 LEU HD11 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD11 . 36771 1
226 . 1 . 1 25 25 LEU HD12 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD12 . 36771 1
227 . 1 . 1 25 25 LEU HD13 H 1 0.671 0.012 . 2 . . . . A 44 LEU HD13 . 36771 1
228 . 1 . 1 25 25 LEU HD21 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD21 . 36771 1
229 . 1 . 1 25 25 LEU HD22 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD22 . 36771 1
230 . 1 . 1 25 25 LEU HD23 H 1 0.744 0.006 . 2 . . . . A 44 LEU HD23 . 36771 1
231 . 1 . 1 25 25 LEU C C 13 177.431 0.002 . 1 . . . . A 44 LEU C . 36771 1
232 . 1 . 1 25 25 LEU CA C 13 58.141 0.033 . 1 . . . . A 44 LEU CA . 36771 1
233 . 1 . 1 25 25 LEU CB C 13 40.901 0.025 . 1 . . . . A 44 LEU CB . 36771 1
234 . 1 . 1 25 25 LEU CG C 13 26.902 0.002 . 1 . . . . A 44 LEU CG . 36771 1
235 . 1 . 1 25 25 LEU CD1 C 13 23.052 0.011 . 2 . . . . A 44 LEU CD1 . 36771 1
236 . 1 . 1 25 25 LEU CD2 C 13 25.033 0.015 . 2 . . . . A 44 LEU CD2 . 36771 1
237 . 1 . 1 25 25 LEU N N 15 114.906 0.006 . 1 . . . . A 44 LEU N . 36771 1
238 . 1 . 1 26 26 ASP H H 1 8.340 0.003 . 1 . . . . A 45 ASP H . 36771 1
239 . 1 . 1 26 26 ASP HA H 1 4.358 0.008 . 1 . . . . A 45 ASP HA . 36771 1
240 . 1 . 1 26 26 ASP HB2 H 1 2.656 0.012 . 2 . . . . A 45 ASP HB2 . 36771 1
241 . 1 . 1 26 26 ASP HB3 H 1 2.807 0.010 . 2 . . . . A 45 ASP HB3 . 36771 1
242 . 1 . 1 26 26 ASP C C 13 180.955 0.002 . 1 . . . . A 45 ASP C . 36771 1
243 . 1 . 1 26 26 ASP CA C 13 57.261 0.001 . 1 . . . . A 45 ASP CA . 36771 1
244 . 1 . 1 26 26 ASP CB C 13 41.005 0.001 . 1 . . . . A 45 ASP CB . 36771 1
245 . 1 . 1 26 26 ASP N N 15 121.016 0.014 . 1 . . . . A 45 ASP N . 36771 1
246 . 1 . 1 27 27 GLN H H 1 8.552 0.008 . 1 . . . . A 46 GLN H . 36771 1
247 . 1 . 1 27 27 GLN HA H 1 4.095 0.005 . 1 . . . . A 46 GLN HA . 36771 1
248 . 1 . 1 27 27 GLN HB2 H 1 2.070 0.008 . 2 . . . . A 46 GLN HB2 . 36771 1
249 . 1 . 1 27 27 GLN HB3 H 1 1.946 0.005 . 2 . . . . A 46 GLN HB3 . 36771 1
250 . 1 . 1 27 27 GLN HG2 H 1 2.663 0.006 . 2 . . . . A 46 GLN HG2 . 36771 1
251 . 1 . 1 27 27 GLN HG3 H 1 2.149 0.011 . 2 . . . . A 46 GLN HG3 . 36771 1
252 . 1 . 1 27 27 GLN HE21 H 1 6.716 0.007 . 1 . . . . A 46 GLN HE21 . 36771 1
253 . 1 . 1 27 27 GLN HE22 H 1 6.862 0.007 . 1 . . . . A 46 GLN HE22 . 36771 1
254 . 1 . 1 27 27 GLN C C 13 178.660 0.002 . 1 . . . . A 46 GLN C . 36771 1
255 . 1 . 1 27 27 GLN CA C 13 58.037 0.042 . 1 . . . . A 46 GLN CA . 36771 1
256 . 1 . 1 27 27 GLN CB C 13 27.525 0.002 . 1 . . . . A 46 GLN CB . 36771 1
257 . 1 . 1 27 27 GLN CG C 13 33.095 0.011 . 1 . . . . A 46 GLN CG . 36771 1
258 . 1 . 1 27 27 GLN N N 15 120.699 0.013 . 1 . . . . A 46 GLN N . 36771 1
259 . 1 . 1 27 27 GLN NE2 N 15 109.931 0.011 . 1 . . . . A 46 GLN NE2 . 36771 1
260 . 1 . 1 28 28 GLY H H 1 9.275 0.010 . 1 . . . . A 47 GLY H . 36771 1
261 . 1 . 1 28 28 GLY HA2 H 1 3.114 0.007 . 2 . . . . A 47 GLY HA2 . 36771 1
262 . 1 . 1 28 28 GLY HA3 H 1 3.494 0.006 . 2 . . . . A 47 GLY HA3 . 36771 1
263 . 1 . 1 28 28 GLY C C 13 179.135 0.002 . 1 . . . . A 47 GLY C . 36771 1
264 . 1 . 1 28 28 GLY CA C 13 46.787 0.026 . 1 . . . . A 47 GLY CA . 36771 1
265 . 1 . 1 28 28 GLY N N 15 107.638 0.010 . 1 . . . . A 47 GLY N . 36771 1
266 . 1 . 1 29 29 GLY H H 1 7.619 0.003 . 1 . . . . A 48 GLY H . 36771 1
267 . 1 . 1 29 29 GLY HA2 H 1 2.305 0.012 . 2 . . . . A 48 GLY HA2 . 36771 1
268 . 1 . 1 29 29 GLY HA3 H 1 3.403 0.006 . 2 . . . . A 48 GLY HA3 . 36771 1
269 . 1 . 1 29 29 GLY C C 13 174.286 0.002 . 1 . . . . A 48 GLY C . 36771 1
270 . 1 . 1 29 29 GLY CA C 13 46.991 0.010 . 1 . . . . A 48 GLY CA . 36771 1
271 . 1 . 1 29 29 GLY N N 15 108.220 0.007 . 1 . . . . A 48 GLY N . 36771 1
272 . 1 . 1 30 30 VAL H H 1 7.712 0.003 . 1 . . . . A 49 VAL H . 36771 1
273 . 1 . 1 30 30 VAL HA H 1 3.585 0.003 . 1 . . . . A 49 VAL HA . 36771 1
274 . 1 . 1 30 30 VAL HB H 1 2.051 0.004 . 1 . . . . A 49 VAL HB . 36771 1
275 . 1 . 1 30 30 VAL HG11 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG11 . 36771 1
276 . 1 . 1 30 30 VAL HG12 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG12 . 36771 1
277 . 1 . 1 30 30 VAL HG13 H 1 0.959 0.006 . 2 . . . . A 49 VAL HG13 . 36771 1
278 . 1 . 1 30 30 VAL HG21 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG21 . 36771 1
279 . 1 . 1 30 30 VAL HG22 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG22 . 36771 1
280 . 1 . 1 30 30 VAL HG23 H 1 0.831 0.001 . 2 . . . . A 49 VAL HG23 . 36771 1
281 . 1 . 1 30 30 VAL C C 13 176.938 0.002 . 1 . . . . A 49 VAL C . 36771 1
282 . 1 . 1 30 30 VAL CA C 13 66.355 0.001 . 1 . . . . A 49 VAL CA . 36771 1
283 . 1 . 1 30 30 VAL CB C 13 31.813 0.039 . 1 . . . . A 49 VAL CB . 36771 1
284 . 1 . 1 30 30 VAL CG1 C 13 22.568 0.030 . 2 . . . . A 49 VAL CG1 . 36771 1
285 . 1 . 1 30 30 VAL CG2 C 13 20.989 0.006 . 2 . . . . A 49 VAL CG2 . 36771 1
286 . 1 . 1 30 30 VAL N N 15 125.455 0.006 . 1 . . . . A 49 VAL N . 36771 1
287 . 1 . 1 31 31 LEU H H 1 8.241 0.012 . 1 . . . . A 50 LEU H . 36771 1
288 . 1 . 1 31 31 LEU HA H 1 3.847 0.010 . 1 . . . . A 50 LEU HA . 36771 1
289 . 1 . 1 31 31 LEU HB2 H 1 0.617 0.007 . 2 . . . . A 50 LEU HB2 . 36771 1
290 . 1 . 1 31 31 LEU HB3 H 1 1.621 0.008 . 2 . . . . A 50 LEU HB3 . 36771 1
291 . 1 . 1 31 31 LEU HG H 1 0.701 0.008 . 1 . . . . A 50 LEU HG . 36771 1
292 . 1 . 1 31 31 LEU HD11 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD11 . 36771 1
293 . 1 . 1 31 31 LEU HD12 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD12 . 36771 1
294 . 1 . 1 31 31 LEU HD13 H 1 0.708 0.012 . 2 . . . . A 50 LEU HD13 . 36771 1
295 . 1 . 1 31 31 LEU HD21 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD21 . 36771 1
296 . 1 . 1 31 31 LEU HD22 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD22 . 36771 1
297 . 1 . 1 31 31 LEU HD23 H 1 0.707 0.010 . 2 . . . . A 50 LEU HD23 . 36771 1
298 . 1 . 1 31 31 LEU C C 13 179.252 0.002 . 1 . . . . A 50 LEU C . 36771 1
299 . 1 . 1 31 31 LEU CA C 13 57.139 0.016 . 1 . . . . A 50 LEU CA . 36771 1
300 . 1 . 1 31 31 LEU CB C 13 43.139 0.013 . 1 . . . . A 50 LEU CB . 36771 1
301 . 1 . 1 31 31 LEU CG C 13 27.429 0.040 . 1 . . . . A 50 LEU CG . 36771 1
302 . 1 . 1 31 31 LEU CD1 C 13 22.908 0.010 . 2 . . . . A 50 LEU CD1 . 36771 1
303 . 1 . 1 31 31 LEU CD2 C 13 22.908 0.010 . 2 . . . . A 50 LEU CD2 . 36771 1
304 . 1 . 1 31 31 LEU N N 15 120.708 0.014 . 1 . . . . A 50 LEU N . 36771 1
305 . 1 . 1 32 32 TYR H H 1 8.252 0.011 . 1 . . . . A 51 TYR H . 36771 1
306 . 1 . 1 32 32 TYR HA H 1 3.135 0.007 . 1 . . . . A 51 TYR HA . 36771 1
307 . 1 . 1 32 32 TYR HB2 H 1 2.360 0.011 . 2 . . . . A 51 TYR HB2 . 36771 1
308 . 1 . 1 32 32 TYR HB3 H 1 2.097 0.009 . 2 . . . . A 51 TYR HB3 . 36771 1
309 . 1 . 1 32 32 TYR C C 13 178.681 0.002 . 1 . . . . A 51 TYR C . 36771 1
310 . 1 . 1 32 32 TYR CA C 13 61.757 0.029 . 1 . . . . A 51 TYR CA . 36771 1
311 . 1 . 1 32 32 TYR CB C 13 39.075 0.036 . 1 . . . . A 51 TYR CB . 36771 1
312 . 1 . 1 32 32 TYR N N 15 120.892 0.135 . 1 . . . . A 51 TYR N . 36771 1
313 . 1 . 1 33 33 ALA H H 1 7.731 0.008 . 1 . . . . A 52 ALA H . 36771 1
314 . 1 . 1 33 33 ALA HA H 1 3.970 0.005 . 1 . . . . A 52 ALA HA . 36771 1
315 . 1 . 1 33 33 ALA HB1 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB1 . 36771 1
316 . 1 . 1 33 33 ALA HB2 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB2 . 36771 1
317 . 1 . 1 33 33 ALA HB3 H 1 1.495 0.008 . 1 . . . . A 52 ALA HB3 . 36771 1
318 . 1 . 1 33 33 ALA C C 13 178.466 0.002 . 1 . . . . A 52 ALA C . 36771 1
319 . 1 . 1 33 33 ALA CA C 13 54.461 0.019 . 1 . . . . A 52 ALA CA . 36771 1
320 . 1 . 1 33 33 ALA CB C 13 17.976 0.041 . 1 . . . . A 52 ALA CB . 36771 1
321 . 1 . 1 33 33 ALA N N 15 122.876 0.014 . 1 . . . . A 52 ALA N . 36771 1
322 . 1 . 1 34 34 GLU H H 1 7.401 0.005 . 1 . . . . A 53 GLU H . 36771 1
323 . 1 . 1 34 34 GLU HA H 1 3.887 0.004 . 1 . . . . A 53 GLU HA . 36771 1
324 . 1 . 1 34 34 GLU HB2 H 1 1.278 0.004 . 2 . . . . A 53 GLU HB2 . 36771 1
325 . 1 . 1 34 34 GLU HB3 H 1 1.710 0.005 . 2 . . . . A 53 GLU HB3 . 36771 1
326 . 1 . 1 34 34 GLU HG2 H 1 1.417 0.006 . 2 . . . . A 53 GLU HG2 . 36771 1
327 . 1 . 1 34 34 GLU HG3 H 1 1.673 0.002 . 2 . . . . A 53 GLU HG3 . 36771 1
328 . 1 . 1 34 34 GLU C C 13 178.261 0.002 . 1 . . . . A 53 GLU C . 36771 1
329 . 1 . 1 34 34 GLU CA C 13 58.484 0.029 . 1 . . . . A 53 GLU CA . 36771 1
330 . 1 . 1 34 34 GLU CB C 13 30.415 0.027 . 1 . . . . A 53 GLU CB . 36771 1
331 . 1 . 1 34 34 GLU CG C 13 35.086 0.011 . 1 . . . . A 53 GLU CG . 36771 1
332 . 1 . 1 34 34 GLU N N 15 116.663 0.002 . 1 . . . . A 53 GLU N . 36771 1
333 . 1 . 1 35 35 HIS H H 1 7.834 0.013 . 1 . . . . A 54 HIS H . 36771 1
334 . 1 . 1 35 35 HIS HA H 1 4.649 0.007 . 1 . . . . A 54 HIS HA . 36771 1
335 . 1 . 1 35 35 HIS HB2 H 1 2.385 0.009 . 2 . . . . A 54 HIS HB2 . 36771 1
336 . 1 . 1 35 35 HIS HB3 H 1 2.178 0.002 . 2 . . . . A 54 HIS HB3 . 36771 1
337 . 1 . 1 35 35 HIS C C 13 178.443 0.002 . 1 . . . . A 54 HIS C . 36771 1
338 . 1 . 1 35 35 HIS CA C 13 57.854 0.001 . 1 . . . . A 54 HIS CA . 36771 1
339 . 1 . 1 35 35 HIS CB C 13 34.368 0.033 . 1 . . . . A 54 HIS CB . 36771 1
340 . 1 . 1 35 35 HIS N N 15 111.495 0.005 . 1 . . . . A 54 HIS N . 36771 1
341 . 1 . 1 36 36 CYS H H 1 7.511 0.007 . 1 . . . . A 55 CYS H . 36771 1
342 . 1 . 1 36 36 CYS HA H 1 3.760 0.008 . 1 . . . . A 55 CYS HA . 36771 1
343 . 1 . 1 36 36 CYS HB2 H 1 0.343 0.017 . 2 . . . . A 55 CYS HB2 . 36771 1
344 . 1 . 1 36 36 CYS HB3 H 1 0.982 0.011 . 2 . . . . A 55 CYS HB3 . 36771 1
345 . 1 . 1 36 36 CYS C C 13 177.282 0.002 . 1 . . . . A 55 CYS C . 36771 1
346 . 1 . 1 36 36 CYS CA C 13 54.433 0.004 . 1 . . . . A 55 CYS CA . 36771 1
347 . 1 . 1 36 36 CYS CB C 13 36.146 0.018 . 1 . . . . A 55 CYS CB . 36771 1
348 . 1 . 1 36 36 CYS N N 15 115.464 0.009 . 1 . . . . A 55 CYS N . 36771 1
349 . 1 . 1 37 37 VAL H H 1 7.477 0.005 . 1 . . . . A 56 VAL H . 36771 1
350 . 1 . 1 37 37 VAL HA H 1 3.949 0.010 . 1 . . . . A 56 VAL HA . 36771 1
351 . 1 . 1 37 37 VAL HB H 1 2.095 0.007 . 1 . . . . A 56 VAL HB . 36771 1
352 . 1 . 1 37 37 VAL HG11 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG11 . 36771 1
353 . 1 . 1 37 37 VAL HG12 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG12 . 36771 1
354 . 1 . 1 37 37 VAL HG13 H 1 1.179 0.006 . 2 . . . . A 56 VAL HG13 . 36771 1
355 . 1 . 1 37 37 VAL HG21 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG21 . 36771 1
356 . 1 . 1 37 37 VAL HG22 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG22 . 36771 1
357 . 1 . 1 37 37 VAL HG23 H 1 1.359 0.007 . 2 . . . . A 56 VAL HG23 . 36771 1
358 . 1 . 1 37 37 VAL C C 13 178.025 0.002 . 1 . . . . A 56 VAL C . 36771 1
359 . 1 . 1 37 37 VAL CA C 13 65.675 0.030 . 1 . . . . A 56 VAL CA . 36771 1
360 . 1 . 1 37 37 VAL CB C 13 32.152 0.015 . 1 . . . . A 56 VAL CB . 36771 1
361 . 1 . 1 37 37 VAL CG1 C 13 20.459 0.024 . 2 . . . . A 56 VAL CG1 . 36771 1
362 . 1 . 1 37 37 VAL CG2 C 13 23.089 0.034 . 2 . . . . A 56 VAL CG2 . 36771 1
363 . 1 . 1 37 37 VAL N N 15 124.271 0.008 . 1 . . . . A 56 VAL N . 36771 1
364 . 1 . 1 38 38 ARG H H 1 8.549 0.006 . 1 . . . . A 57 ARG H . 36771 1
365 . 1 . 1 38 38 ARG HA H 1 4.450 0.010 . 1 . . . . A 57 ARG HA . 36771 1
366 . 1 . 1 38 38 ARG HB2 H 1 1.819 0.015 . 2 . . . . A 57 ARG HB2 . 36771 1
367 . 1 . 1 38 38 ARG HB3 H 1 1.454 0.003 . 2 . . . . A 57 ARG HB3 . 36771 1
368 . 1 . 1 38 38 ARG HD2 H 1 3.415 0.004 . 2 . . . . A 57 ARG HD2 . 36771 1
369 . 1 . 1 38 38 ARG HD3 H 1 3.211 0.003 . 2 . . . . A 57 ARG HD3 . 36771 1
370 . 1 . 1 38 38 ARG C C 13 176.681 0.002 . 1 . . . . A 57 ARG C . 36771 1
371 . 1 . 1 38 38 ARG CA C 13 58.493 0.001 . 1 . . . . A 57 ARG CA . 36771 1
372 . 1 . 1 38 38 ARG CB C 13 27.873 0.024 . 1 . . . . A 57 ARG CB . 36771 1
373 . 1 . 1 38 38 ARG CD C 13 43.022 0.013 . 1 . . . . A 57 ARG CD . 36771 1
374 . 1 . 1 38 38 ARG N N 15 118.543 0.019 . 1 . . . . A 57 ARG N . 36771 1
375 . 1 . 1 39 39 CYS H H 1 7.513 0.005 . 1 . . . . A 58 CYS H . 36771 1
376 . 1 . 1 39 39 CYS HA H 1 5.796 0.009 . 1 . . . . A 58 CYS HA . 36771 1
377 . 1 . 1 39 39 CYS HB2 H 1 2.798 0.008 . 2 . . . . A 58 CYS HB2 . 36771 1
378 . 1 . 1 39 39 CYS HB3 H 1 2.798 0.008 . 2 . . . . A 58 CYS HB3 . 36771 1
379 . 1 . 1 39 39 CYS C C 13 175.601 0.002 . 1 . . . . A 58 CYS C . 36771 1
380 . 1 . 1 39 39 CYS CA C 13 56.025 0.016 . 1 . . . . A 58 CYS CA . 36771 1
381 . 1 . 1 39 39 CYS CB C 13 43.594 0.001 . 1 . . . . A 58 CYS CB . 36771 1
382 . 1 . 1 39 39 CYS N N 15 113.860 0.007 . 1 . . . . A 58 CYS N . 36771 1
383 . 1 . 1 40 40 HIS H H 1 10.367 0.007 . 1 . . . . A 59 HIS H . 36771 1
384 . 1 . 1 40 40 HIS HA H 1 4.877 0.001 . 1 . . . . A 59 HIS HA . 36771 1
385 . 1 . 1 40 40 HIS HB2 H 1 3.007 0.005 . 2 . . . . A 59 HIS HB2 . 36771 1
386 . 1 . 1 40 40 HIS HB3 H 1 3.072 0.001 . 2 . . . . A 59 HIS HB3 . 36771 1
387 . 1 . 1 40 40 HIS C C 13 175.993 0.002 . 1 . . . . A 59 HIS C . 36771 1
388 . 1 . 1 40 40 HIS CA C 13 54.145 0.002 . 1 . . . . A 59 HIS CA . 36771 1
389 . 1 . 1 40 40 HIS CB C 13 29.917 0.002 . 1 . . . . A 59 HIS CB . 36771 1
390 . 1 . 1 40 40 HIS N N 15 115.244 0.003 . 1 . . . . A 59 HIS N . 36771 1
391 . 1 . 1 41 41 GLY H H 1 9.711 0.008 . 1 . . . . A 60 GLY H . 36771 1
392 . 1 . 1 41 41 GLY HA2 H 1 5.606 0.005 . 2 . . . . A 60 GLY HA2 . 36771 1
393 . 1 . 1 41 41 GLY HA3 H 1 4.641 0.011 . 2 . . . . A 60 GLY HA3 . 36771 1
394 . 1 . 1 41 41 GLY C C 13 178.518 0.002 . 1 . . . . A 60 GLY C . 36771 1
395 . 1 . 1 41 41 GLY CA C 13 45.780 0.007 . 1 . . . . A 60 GLY CA . 36771 1
396 . 1 . 1 41 41 GLY N N 15 109.074 0.008 . 1 . . . . A 60 GLY N . 36771 1
397 . 1 . 1 42 42 GLU H H 1 10.075 0.006 . 1 . . . . A 61 GLU H . 36771 1
398 . 1 . 1 42 42 GLU HA H 1 4.504 0.010 . 1 . . . . A 61 GLU HA . 36771 1
399 . 1 . 1 42 42 GLU HB2 H 1 2.438 0.004 . 2 . . . . A 61 GLU HB2 . 36771 1
400 . 1 . 1 42 42 GLU HB3 H 1 2.436 0.005 . 2 . . . . A 61 GLU HB3 . 36771 1
401 . 1 . 1 42 42 GLU HG2 H 1 2.664 0.001 . 2 . . . . A 61 GLU HG2 . 36771 1
402 . 1 . 1 42 42 GLU HG3 H 1 2.587 0.005 . 2 . . . . A 61 GLU HG3 . 36771 1
403 . 1 . 1 42 42 GLU C C 13 177.525 0.002 . 1 . . . . A 61 GLU C . 36771 1
404 . 1 . 1 42 42 GLU CA C 13 60.573 0.001 . 1 . . . . A 61 GLU CA . 36771 1
405 . 1 . 1 42 42 GLU CB C 13 30.506 0.030 . 1 . . . . A 61 GLU CB . 36771 1
406 . 1 . 1 42 42 GLU CG C 13 36.893 0.011 . 1 . . . . A 61 GLU CG . 36771 1
407 . 1 . 1 42 42 GLU N N 15 125.727 0.001 . 1 . . . . A 61 GLU N . 36771 1
408 . 1 . 1 43 43 THR H H 1 9.134 0.005 . 1 . . . . A 62 THR H . 36771 1
409 . 1 . 1 43 43 THR HA H 1 4.706 0.014 . 1 . . . . A 62 THR HA . 36771 1
410 . 1 . 1 43 43 THR HB H 1 4.940 0.017 . 1 . . . . A 62 THR HB . 36771 1
411 . 1 . 1 43 43 THR HG21 H 1 1.492 0.004 . 1 . . . . A 62 THR HG21 . 36771 1
412 . 1 . 1 43 43 THR HG22 H 1 1.492 0.004 . 1 . . . . A 62 THR HG22 . 36771 1
413 . 1 . 1 43 43 THR HG23 H 1 1.492 0.004 . 1 . . . . A 62 THR HG23 . 36771 1
414 . 1 . 1 43 43 THR C C 13 177.811 0.002 . 1 . . . . A 62 THR C . 36771 1
415 . 1 . 1 43 43 THR CA C 13 61.312 0.001 . 1 . . . . A 62 THR CA . 36771 1
416 . 1 . 1 43 43 THR CB C 13 69.359 0.001 . 1 . . . . A 62 THR CB . 36771 1
417 . 1 . 1 43 43 THR CG2 C 13 22.332 0.013 . 1 . . . . A 62 THR CG2 . 36771 1
418 . 1 . 1 43 43 THR N N 15 106.728 0.009 . 1 . . . . A 62 THR N . 36771 1
419 . 1 . 1 44 44 LEU H H 1 8.163 0.005 . 1 . . . . A 63 LEU H . 36771 1
420 . 1 . 1 44 44 LEU HA H 1 5.457 0.007 . 1 . . . . A 63 LEU HA . 36771 1
421 . 1 . 1 44 44 LEU HB2 H 1 2.724 0.012 . 2 . . . . A 63 LEU HB2 . 36771 1
422 . 1 . 1 44 44 LEU HB3 H 1 3.254 0.011 . 2 . . . . A 63 LEU HB3 . 36771 1
423 . 1 . 1 44 44 LEU HG H 1 2.465 0.006 . 1 . . . . A 63 LEU HG . 36771 1
424 . 1 . 1 44 44 LEU HD11 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD11 . 36771 1
425 . 1 . 1 44 44 LEU HD12 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD12 . 36771 1
426 . 1 . 1 44 44 LEU HD13 H 1 0.826 0.010 . 2 . . . . A 63 LEU HD13 . 36771 1
427 . 1 . 1 44 44 LEU HD21 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD21 . 36771 1
428 . 1 . 1 44 44 LEU HD22 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD22 . 36771 1
429 . 1 . 1 44 44 LEU HD23 H 1 0.813 0.009 . 2 . . . . A 63 LEU HD23 . 36771 1
430 . 1 . 1 44 44 LEU C C 13 174.712 0.002 . 1 . . . . A 63 LEU C . 36771 1
431 . 1 . 1 44 44 LEU CA C 13 61.669 0.027 . 1 . . . . A 63 LEU CA . 36771 1
432 . 1 . 1 44 44 LEU CB C 13 38.025 0.013 . 1 . . . . A 63 LEU CB . 36771 1
433 . 1 . 1 44 44 LEU CG C 13 31.346 0.008 . 1 . . . . A 63 LEU CG . 36771 1
434 . 1 . 1 44 44 LEU CD1 C 13 24.480 0.024 . 2 . . . . A 63 LEU CD1 . 36771 1
435 . 1 . 1 44 44 LEU CD2 C 13 27.338 0.029 . 2 . . . . A 63 LEU CD2 . 36771 1
436 . 1 . 1 44 44 LEU N N 15 114.692 0.014 . 1 . . . . A 63 LEU N . 36771 1
437 . 1 . 1 45 45 ARG H H 1 9.277 0.005 . 1 . . . . A 64 ARG H . 36771 1
438 . 1 . 1 45 45 ARG HA H 1 5.515 0.014 . 1 . . . . A 64 ARG HA . 36771 1
439 . 1 . 1 45 45 ARG HB2 H 1 2.610 0.015 . 2 . . . . A 64 ARG HB2 . 36771 1
440 . 1 . 1 45 45 ARG HB3 H 1 2.242 0.004 . 2 . . . . A 64 ARG HB3 . 36771 1
441 . 1 . 1 45 45 ARG HG2 H 1 2.142 0.037 . 2 . . . . A 64 ARG HG2 . 36771 1
442 . 1 . 1 45 45 ARG HG3 H 1 2.212 0.011 . 2 . . . . A 64 ARG HG3 . 36771 1
443 . 1 . 1 45 45 ARG HD2 H 1 3.741 0.004 . 2 . . . . A 64 ARG HD2 . 36771 1
444 . 1 . 1 45 45 ARG HD3 H 1 3.479 0.013 . 2 . . . . A 64 ARG HD3 . 36771 1
445 . 1 . 1 45 45 ARG C C 13 178.309 0.002 . 1 . . . . A 64 ARG C . 36771 1
446 . 1 . 1 45 45 ARG CA C 13 57.182 0.028 . 1 . . . . A 64 ARG CA . 36771 1
447 . 1 . 1 45 45 ARG CB C 13 30.132 0.062 . 1 . . . . A 64 ARG CB . 36771 1
448 . 1 . 1 45 45 ARG CG C 13 26.763 0.037 . 1 . . . . A 64 ARG CG . 36771 1
449 . 1 . 1 45 45 ARG CD C 13 43.260 0.039 . 1 . . . . A 64 ARG CD . 36771 1
450 . 1 . 1 45 45 ARG N N 15 116.867 0.007 . 1 . . . . A 64 ARG N . 36771 1
451 . 1 . 1 46 46 GLY H H 1 10.534 0.020 . 1 . . . . A 65 GLY H . 36771 1
452 . 1 . 1 46 46 GLY HA2 H 1 4.988 0.002 . 2 . . . . A 65 GLY HA2 . 36771 1
453 . 1 . 1 46 46 GLY HA3 H 1 5.106 0.001 . 2 . . . . A 65 GLY HA3 . 36771 1
454 . 1 . 1 46 46 GLY C C 13 178.098 0.002 . 1 . . . . A 65 GLY C . 36771 1
455 . 1 . 1 46 46 GLY CA C 13 47.592 0.010 . 1 . . . . A 65 GLY CA . 36771 1
456 . 1 . 1 46 46 GLY N N 15 108.487 0.005 . 1 . . . . A 65 GLY N . 36771 1
457 . 1 . 1 47 47 ASP H H 1 8.676 0.003 . 1 . . . . A 66 ASP H . 36771 1
458 . 1 . 1 47 47 ASP HA H 1 4.968 0.013 . 1 . . . . A 66 ASP HA . 36771 1
459 . 1 . 1 47 47 ASP HB2 H 1 3.258 0.012 . 2 . . . . A 66 ASP HB2 . 36771 1
460 . 1 . 1 47 47 ASP HB3 H 1 2.617 0.013 . 2 . . . . A 66 ASP HB3 . 36771 1
461 . 1 . 1 47 47 ASP C C 13 173.661 0.002 . 1 . . . . A 66 ASP C . 36771 1
462 . 1 . 1 47 47 ASP CA C 13 52.548 0.001 . 1 . . . . A 66 ASP CA . 36771 1
463 . 1 . 1 47 47 ASP CB C 13 40.211 0.015 . 1 . . . . A 66 ASP CB . 36771 1
464 . 1 . 1 47 47 ASP N N 15 117.617 0.008 . 1 . . . . A 66 ASP N . 36771 1
465 . 1 . 1 48 48 GLY H H 1 7.744 0.005 . 1 . . . . A 67 GLY H . 36771 1
466 . 1 . 1 48 48 GLY HA2 H 1 4.658 0.010 . 2 . . . . A 67 GLY HA2 . 36771 1
467 . 1 . 1 48 48 GLY HA3 H 1 3.874 0.012 . 2 . . . . A 67 GLY HA3 . 36771 1
468 . 1 . 1 48 48 GLY C C 13 177.552 0.002 . 1 . . . . A 67 GLY C . 36771 1
469 . 1 . 1 48 48 GLY CA C 13 44.984 0.018 . 1 . . . . A 67 GLY CA . 36771 1
470 . 1 . 1 48 48 GLY N N 15 104.704 0.016 . 1 . . . . A 67 GLY N . 36771 1
471 . 1 . 1 49 49 PRO HA H 1 4.468 0.014 . 1 . . . . A 68 PRO HA . 36771 1
472 . 1 . 1 49 49 PRO HB2 H 1 2.467 0.012 . 2 . . . . A 68 PRO HB2 . 36771 1
473 . 1 . 1 49 49 PRO HB3 H 1 2.229 0.004 . 2 . . . . A 68 PRO HB3 . 36771 1
474 . 1 . 1 49 49 PRO HG2 H 1 2.243 0.007 . 2 . . . . A 68 PRO HG2 . 36771 1
475 . 1 . 1 49 49 PRO HG3 H 1 2.243 0.007 . 2 . . . . A 68 PRO HG3 . 36771 1
476 . 1 . 1 49 49 PRO CA C 13 65.095 0.004 . 1 . . . . A 68 PRO CA . 36771 1
477 . 1 . 1 49 49 PRO CB C 13 31.848 0.002 . 1 . . . . A 68 PRO CB . 36771 1
478 . 1 . 1 49 49 PRO CG C 13 27.719 0.025 . 1 . . . . A 68 PRO CG . 36771 1
479 . 1 . 1 49 49 PRO CD C 13 50.323 0.002 . 1 . . . . A 68 PRO CD . 36771 1
480 . 1 . 1 50 50 ASP H H 1 8.631 0.003 . 1 . . . . A 69 ASP H . 36771 1
481 . 1 . 1 50 50 ASP HA H 1 4.741 0.008 . 1 . . . . A 69 ASP HA . 36771 1
482 . 1 . 1 50 50 ASP HB2 H 1 2.261 0.002 . 2 . . . . A 69 ASP HB2 . 36771 1
483 . 1 . 1 50 50 ASP HB3 H 1 2.690 0.005 . 2 . . . . A 69 ASP HB3 . 36771 1
484 . 1 . 1 50 50 ASP C C 13 177.868 0.002 . 1 . . . . A 69 ASP C . 36771 1
485 . 1 . 1 50 50 ASP CA C 13 54.239 0.002 . 1 . . . . A 69 ASP CA . 36771 1
486 . 1 . 1 50 50 ASP CB C 13 41.126 0.060 . 1 . . . . A 69 ASP CB . 36771 1
487 . 1 . 1 50 50 ASP N N 15 116.095 0.016 . 1 . . . . A 69 ASP N . 36771 1
488 . 1 . 1 51 51 ALA H H 1 7.710 0.008 . 1 . . . . A 70 ALA H . 36771 1
489 . 1 . 1 51 51 ALA HA H 1 3.368 0.007 . 1 . . . . A 70 ALA HA . 36771 1
490 . 1 . 1 51 51 ALA HB1 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB1 . 36771 1
491 . 1 . 1 51 51 ALA HB2 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB2 . 36771 1
492 . 1 . 1 51 51 ALA HB3 H 1 1.337 0.012 . 1 . . . . A 70 ALA HB3 . 36771 1
493 . 1 . 1 51 51 ALA C C 13 175.750 0.002 . 1 . . . . A 70 ALA C . 36771 1
494 . 1 . 1 51 51 ALA CA C 13 53.138 0.039 . 1 . . . . A 70 ALA CA . 36771 1
495 . 1 . 1 51 51 ALA CB C 13 19.546 0.015 . 1 . . . . A 70 ALA CB . 36771 1
496 . 1 . 1 51 51 ALA N N 15 120.614 0.018 . 1 . . . . A 70 ALA N . 36771 1
497 . 1 . 1 52 52 HIS H H 1 7.178 0.005 . 1 . . . . A 71 HIS H . 36771 1
498 . 1 . 1 52 52 HIS HA H 1 4.097 0.001 . 1 . . . . A 71 HIS HA . 36771 1
499 . 1 . 1 52 52 HIS HB2 H 1 3.063 0.006 . 2 . . . . A 71 HIS HB2 . 36771 1
500 . 1 . 1 52 52 HIS HB3 H 1 3.011 0.003 . 2 . . . . A 71 HIS HB3 . 36771 1
501 . 1 . 1 52 52 HIS C C 13 178.223 0.002 . 1 . . . . A 71 HIS C . 36771 1
502 . 1 . 1 52 52 HIS CA C 13 57.496 0.001 . 1 . . . . A 71 HIS CA . 36771 1
503 . 1 . 1 52 52 HIS CB C 13 29.519 0.001 . 1 . . . . A 71 HIS CB . 36771 1
504 . 1 . 1 52 52 HIS N N 15 114.885 0.001 . 1 . . . . A 71 HIS N . 36771 1
505 . 1 . 1 53 53 ASP H H 1 8.320 0.006 . 1 . . . . A 72 ASP H . 36771 1
506 . 1 . 1 53 53 ASP HA H 1 4.089 0.006 . 1 . . . . A 72 ASP HA . 36771 1
507 . 1 . 1 53 53 ASP HB2 H 1 2.550 0.010 . 2 . . . . A 72 ASP HB2 . 36771 1
508 . 1 . 1 53 53 ASP HB3 H 1 2.448 0.006 . 2 . . . . A 72 ASP HB3 . 36771 1
509 . 1 . 1 53 53 ASP C C 13 174.194 0.002 . 1 . . . . A 72 ASP C . 36771 1
510 . 1 . 1 53 53 ASP CA C 13 55.070 0.010 . 1 . . . . A 72 ASP CA . 36771 1
511 . 1 . 1 53 53 ASP CB C 13 39.941 0.001 . 1 . . . . A 72 ASP CB . 36771 1
512 . 1 . 1 53 53 ASP N N 15 116.064 0.007 . 1 . . . . A 72 ASP N . 36771 1
513 . 1 . 1 54 54 LEU H H 1 6.728 0.005 . 1 . . . . A 73 LEU H . 36771 1
514 . 1 . 1 54 54 LEU HA H 1 3.694 0.006 . 1 . . . . A 73 LEU HA . 36771 1
515 . 1 . 1 54 54 LEU HB2 H 1 -0.055 0.003 . 2 . . . . A 73 LEU HB2 . 36771 1
516 . 1 . 1 54 54 LEU HB3 H 1 0.499 0.006 . 2 . . . . A 73 LEU HB3 . 36771 1
517 . 1 . 1 54 54 LEU HG H 1 0.880 0.006 . 1 . . . . A 73 LEU HG . 36771 1
518 . 1 . 1 54 54 LEU HD11 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD11 . 36771 1
519 . 1 . 1 54 54 LEU HD12 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD12 . 36771 1
520 . 1 . 1 54 54 LEU HD13 H 1 -0.591 0.010 . 2 . . . . A 73 LEU HD13 . 36771 1
521 . 1 . 1 54 54 LEU HD21 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD21 . 36771 1
522 . 1 . 1 54 54 LEU HD22 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD22 . 36771 1
523 . 1 . 1 54 54 LEU HD23 H 1 0.024 0.005 . 2 . . . . A 73 LEU HD23 . 36771 1
524 . 1 . 1 54 54 LEU C C 13 174.732 0.002 . 1 . . . . A 73 LEU C . 36771 1
525 . 1 . 1 54 54 LEU CA C 13 54.622 0.020 . 1 . . . . A 73 LEU CA . 36771 1
526 . 1 . 1 54 54 LEU CB C 13 41.354 0.014 . 1 . . . . A 73 LEU CB . 36771 1
527 . 1 . 1 54 54 LEU CG C 13 25.890 0.001 . 1 . . . . A 73 LEU CG . 36771 1
528 . 1 . 1 54 54 LEU CD1 C 13 24.587 0.001 . 2 . . . . A 73 LEU CD1 . 36771 1
529 . 1 . 1 54 54 LEU CD2 C 13 22.065 0.020 . 2 . . . . A 73 LEU CD2 . 36771 1
530 . 1 . 1 54 54 LEU N N 15 118.885 0.014 . 1 . . . . A 73 LEU N . 36771 1
531 . 1 . 1 55 55 ASP H H 1 7.276 0.007 . 1 . . . . A 74 ASP H . 36771 1
532 . 1 . 1 55 55 ASP HA H 1 3.944 0.006 . 1 . . . . A 74 ASP HA . 36771 1
533 . 1 . 1 55 55 ASP HB2 H 1 1.979 0.004 . 2 . . . . A 74 ASP HB2 . 36771 1
534 . 1 . 1 55 55 ASP HB3 H 1 2.237 0.002 . 2 . . . . A 74 ASP HB3 . 36771 1
535 . 1 . 1 55 55 ASP C C 13 174.750 0.002 . 1 . . . . A 74 ASP C . 36771 1
536 . 1 . 1 55 55 ASP CA C 13 50.790 0.017 . 1 . . . . A 74 ASP CA . 36771 1
537 . 1 . 1 55 55 ASP CB C 13 43.970 0.020 . 1 . . . . A 74 ASP CB . 36771 1
538 . 1 . 1 55 55 ASP N N 15 120.928 0.006 . 1 . . . . A 74 ASP N . 36771 1
539 . 1 . 1 56 56 PRO HA H 1 4.406 0.002 . 1 . . . . A 75 PRO HA . 36771 1
540 . 1 . 1 56 56 PRO HB2 H 1 0.962 0.004 . 2 . . . . A 75 PRO HB2 . 36771 1
541 . 1 . 1 56 56 PRO HB3 H 1 1.825 0.001 . 2 . . . . A 75 PRO HB3 . 36771 1
542 . 1 . 1 56 56 PRO CA C 13 62.086 0.002 . 1 . . . . A 75 PRO CA . 36771 1
543 . 1 . 1 56 56 PRO CB C 13 32.602 0.001 . 1 . . . . A 75 PRO CB . 36771 1
544 . 1 . 1 57 57 PRO HA H 1 3.366 0.003 . 1 . . . . A 76 PRO HA . 36771 1
545 . 1 . 1 57 57 PRO HB2 H 1 1.265 0.010 . 2 . . . . A 76 PRO HB2 . 36771 1
546 . 1 . 1 57 57 PRO HB3 H 1 1.798 0.007 . 2 . . . . A 76 PRO HB3 . 36771 1
547 . 1 . 1 57 57 PRO HG2 H 1 1.640 0.012 . 2 . . . . A 76 PRO HG2 . 36771 1
548 . 1 . 1 57 57 PRO HG3 H 1 1.498 0.003 . 2 . . . . A 76 PRO HG3 . 36771 1
549 . 1 . 1 57 57 PRO HD2 H 1 3.018 0.006 . 2 . . . . A 76 PRO HD2 . 36771 1
550 . 1 . 1 57 57 PRO HD3 H 1 3.293 0.010 . 2 . . . . A 76 PRO HD3 . 36771 1
551 . 1 . 1 57 57 PRO CA C 13 60.598 0.006 . 1 . . . . A 76 PRO CA . 36771 1
552 . 1 . 1 57 57 PRO CB C 13 31.858 0.057 . 1 . . . . A 76 PRO CB . 36771 1
553 . 1 . 1 57 57 PRO CG C 13 27.091 0.013 . 1 . . . . A 76 PRO CG . 36771 1
554 . 1 . 1 57 57 PRO CD C 13 49.354 0.017 . 1 . . . . A 76 PRO CD . 36771 1
555 . 1 . 1 58 58 VAL H H 1 7.450 0.005 . 1 . . . . A 77 VAL H . 36771 1
556 . 1 . 1 58 58 VAL HA H 1 3.945 0.007 . 1 . . . . A 77 VAL HA . 36771 1
557 . 1 . 1 58 58 VAL HB H 1 1.430 0.001 . 1 . . . . A 77 VAL HB . 36771 1
558 . 1 . 1 58 58 VAL HG11 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG11 . 36771 1
559 . 1 . 1 58 58 VAL HG12 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG12 . 36771 1
560 . 1 . 1 58 58 VAL HG13 H 1 -1.546 0.007 . 2 . . . . A 77 VAL HG13 . 36771 1
561 . 1 . 1 58 58 VAL HG21 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG21 . 36771 1
562 . 1 . 1 58 58 VAL HG22 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG22 . 36771 1
563 . 1 . 1 58 58 VAL HG23 H 1 0.486 0.012 . 2 . . . . A 77 VAL HG23 . 36771 1
564 . 1 . 1 58 58 VAL C C 13 175.915 0.002 . 1 . . . . A 77 VAL C . 36771 1
565 . 1 . 1 58 58 VAL CA C 13 64.000 0.023 . 1 . . . . A 77 VAL CA . 36771 1
566 . 1 . 1 58 58 VAL CB C 13 29.409 0.001 . 1 . . . . A 77 VAL CB . 36771 1
567 . 1 . 1 58 58 VAL CG1 C 13 22.824 0.031 . 2 . . . . A 77 VAL CG1 . 36771 1
568 . 1 . 1 58 58 VAL CG2 C 13 21.381 0.001 . 2 . . . . A 77 VAL CG2 . 36771 1
569 . 1 . 1 58 58 VAL N N 15 118.024 0.019 . 1 . . . . A 77 VAL N . 36771 1
570 . 1 . 1 59 59 ALA HA H 1 4.319 0.006 . 1 . . . . A 78 ALA HA . 36771 1
571 . 1 . 1 59 59 ALA HB1 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB1 . 36771 1
572 . 1 . 1 59 59 ALA HB2 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB2 . 36771 1
573 . 1 . 1 59 59 ALA HB3 H 1 1.633 0.001 . 1 . . . . A 78 ALA HB3 . 36771 1
574 . 1 . 1 59 59 ALA CA C 13 53.038 0.002 . 1 . . . . A 78 ALA CA . 36771 1
575 . 1 . 1 59 59 ALA CB C 13 21.769 0.011 . 1 . . . . A 78 ALA CB . 36771 1
576 . 1 . 1 60 60 ASP H H 1 9.363 0.002 . 1 . . . . A 79 ASP H . 36771 1
577 . 1 . 1 60 60 ASP HA H 1 5.676 0.002 . 1 . . . . A 79 ASP HA . 36771 1
578 . 1 . 1 60 60 ASP HB2 H 1 3.509 0.008 . 2 . . . . A 79 ASP HB2 . 36771 1
579 . 1 . 1 60 60 ASP HB3 H 1 3.264 0.009 . 2 . . . . A 79 ASP HB3 . 36771 1
580 . 1 . 1 60 60 ASP C C 13 177.508 0.002 . 1 . . . . A 79 ASP C . 36771 1
581 . 1 . 1 60 60 ASP CA C 13 55.066 0.017 . 1 . . . . A 79 ASP CA . 36771 1
582 . 1 . 1 60 60 ASP CB C 13 41.427 0.027 . 1 . . . . A 79 ASP CB . 36771 1
583 . 1 . 1 60 60 ASP N N 15 123.261 0.009 . 1 . . . . A 79 ASP N . 36771 1
584 . 1 . 1 61 61 LEU H H 1 10.258 0.007 . 1 . . . . A 80 LEU H . 36771 1
585 . 1 . 1 61 61 LEU HA H 1 5.213 0.010 . 1 . . . . A 80 LEU HA . 36771 1
586 . 1 . 1 61 61 LEU HB2 H 1 2.253 0.007 . 2 . . . . A 80 LEU HB2 . 36771 1
587 . 1 . 1 61 61 LEU HB3 H 1 3.568 0.011 . 2 . . . . A 80 LEU HB3 . 36771 1
588 . 1 . 1 61 61 LEU HG H 1 6.003 0.012 . 1 . . . . A 80 LEU HG . 36771 1
589 . 1 . 1 61 61 LEU HD11 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD11 . 36771 1
590 . 1 . 1 61 61 LEU HD12 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD12 . 36771 1
591 . 1 . 1 61 61 LEU HD13 H 1 2.420 0.003 . 2 . . . . A 80 LEU HD13 . 36771 1
592 . 1 . 1 61 61 LEU HD21 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD21 . 36771 1
593 . 1 . 1 61 61 LEU HD22 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD22 . 36771 1
594 . 1 . 1 61 61 LEU HD23 H 1 3.401 0.001 . 2 . . . . A 80 LEU HD23 . 36771 1
595 . 1 . 1 61 61 LEU C C 13 178.176 0.002 . 1 . . . . A 80 LEU C . 36771 1
596 . 1 . 1 61 61 LEU CA C 13 58.395 0.010 . 1 . . . . A 80 LEU CA . 36771 1
597 . 1 . 1 61 61 LEU CB C 13 44.061 0.021 . 1 . . . . A 80 LEU CB . 36771 1
598 . 1 . 1 61 61 LEU CG C 13 29.218 0.001 . 1 . . . . A 80 LEU CG . 36771 1
599 . 1 . 1 61 61 LEU CD1 C 13 26.809 0.001 . 2 . . . . A 80 LEU CD1 . 36771 1
600 . 1 . 1 61 61 LEU CD2 C 13 23.400 0.001 . 2 . . . . A 80 LEU CD2 . 36771 1
601 . 1 . 1 61 61 LEU N N 15 126.875 0.015 . 1 . . . . A 80 LEU N . 36771 1
602 . 1 . 1 62 62 VAL H H 1 8.848 0.003 . 1 . . . . A 81 VAL H . 36771 1
603 . 1 . 1 62 62 VAL HA H 1 3.838 0.008 . 1 . . . . A 81 VAL HA . 36771 1
604 . 1 . 1 62 62 VAL HB H 1 2.710 0.006 . 1 . . . . A 81 VAL HB . 36771 1
605 . 1 . 1 62 62 VAL HG11 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG11 . 36771 1
606 . 1 . 1 62 62 VAL HG12 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG12 . 36771 1
607 . 1 . 1 62 62 VAL HG13 H 1 1.362 0.006 . 2 . . . . A 81 VAL HG13 . 36771 1
608 . 1 . 1 62 62 VAL HG21 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG21 . 36771 1
609 . 1 . 1 62 62 VAL HG22 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG22 . 36771 1
610 . 1 . 1 62 62 VAL HG23 H 1 1.156 0.005 . 2 . . . . A 81 VAL HG23 . 36771 1
611 . 1 . 1 62 62 VAL C C 13 179.590 0.002 . 1 . . . . A 81 VAL C . 36771 1
612 . 1 . 1 62 62 VAL CA C 13 66.974 0.018 . 1 . . . . A 81 VAL CA . 36771 1
613 . 1 . 1 62 62 VAL CB C 13 31.701 0.009 . 1 . . . . A 81 VAL CB . 36771 1
614 . 1 . 1 62 62 VAL CG1 C 13 24.083 0.015 . 2 . . . . A 81 VAL CG1 . 36771 1
615 . 1 . 1 62 62 VAL CG2 C 13 22.113 0.025 . 2 . . . . A 81 VAL CG2 . 36771 1
616 . 1 . 1 62 62 VAL N N 15 121.337 0.016 . 1 . . . . A 81 VAL N . 36771 1
617 . 1 . 1 63 63 GLU H H 1 7.901 0.009 . 1 . . . . A 82 GLU H . 36771 1
618 . 1 . 1 63 63 GLU HA H 1 4.208 0.008 . 1 . . . . A 82 GLU HA . 36771 1
619 . 1 . 1 63 63 GLU HB2 H 1 2.073 0.009 . 2 . . . . A 82 GLU HB2 . 36771 1
620 . 1 . 1 63 63 GLU HB3 H 1 2.116 0.010 . 2 . . . . A 82 GLU HB3 . 36771 1
621 . 1 . 1 63 63 GLU HG2 H 1 2.139 0.009 . 2 . . . . A 82 GLU HG2 . 36771 1
622 . 1 . 1 63 63 GLU HG3 H 1 2.139 0.009 . 2 . . . . A 82 GLU HG3 . 36771 1
623 . 1 . 1 63 63 GLU C C 13 177.793 0.002 . 1 . . . . A 82 GLU C . 36771 1
624 . 1 . 1 63 63 GLU CA C 13 58.078 0.001 . 1 . . . . A 82 GLU CA . 36771 1
625 . 1 . 1 63 63 GLU CB C 13 30.252 0.002 . 1 . . . . A 82 GLU CB . 36771 1
626 . 1 . 1 63 63 GLU CG C 13 35.621 0.003 . 1 . . . . A 82 GLU CG . 36771 1
627 . 1 . 1 63 63 GLU N N 15 117.967 0.016 . 1 . . . . A 82 GLU N . 36771 1
628 . 1 . 1 64 64 HIS H H 1 8.241 0.014 . 1 . . . . A 83 HIS H . 36771 1
629 . 1 . 1 64 64 HIS HA H 1 4.787 0.013 . 1 . . . . A 83 HIS HA . 36771 1
630 . 1 . 1 64 64 HIS HB2 H 1 3.436 0.004 . 2 . . . . A 83 HIS HB2 . 36771 1
631 . 1 . 1 64 64 HIS HB3 H 1 3.632 0.006 . 2 . . . . A 83 HIS HB3 . 36771 1
632 . 1 . 1 64 64 HIS C C 13 178.859 0.002 . 1 . . . . A 83 HIS C . 36771 1
633 . 1 . 1 64 64 HIS CA C 13 59.072 0.001 . 1 . . . . A 83 HIS CA . 36771 1
634 . 1 . 1 64 64 HIS CB C 13 32.032 0.009 . 1 . . . . A 83 HIS CB . 36771 1
635 . 1 . 1 64 64 HIS N N 15 112.572 0.018 . 1 . . . . A 83 HIS N . 36771 1
636 . 1 . 1 65 65 ALA H H 1 8.816 0.007 . 1 . . . . A 84 ALA H . 36771 1
637 . 1 . 1 65 65 ALA HA H 1 4.402 0.007 . 1 . . . . A 84 ALA HA . 36771 1
638 . 1 . 1 65 65 ALA HB1 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB1 . 36771 1
639 . 1 . 1 65 65 ALA HB2 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB2 . 36771 1
640 . 1 . 1 65 65 ALA HB3 H 1 1.549 0.004 . 1 . . . . A 84 ALA HB3 . 36771 1
641 . 1 . 1 65 65 ALA C C 13 177.384 0.002 . 1 . . . . A 84 ALA C . 36771 1
642 . 1 . 1 65 65 ALA CA C 13 57.749 0.001 . 1 . . . . A 84 ALA CA . 36771 1
643 . 1 . 1 65 65 ALA CB C 13 15.542 0.024 . 1 . . . . A 84 ALA CB . 36771 1
644 . 1 . 1 65 65 ALA N N 15 122.426 0.008 . 1 . . . . A 84 ALA N . 36771 1
645 . 1 . 1 66 66 PRO HA H 1 4.312 0.012 . 1 . . . . A 85 PRO HA . 36771 1
646 . 1 . 1 66 66 PRO HB2 H 1 1.243 0.002 . 2 . . . . A 85 PRO HB2 . 36771 1
647 . 1 . 1 66 66 PRO HB3 H 1 2.347 0.006 . 2 . . . . A 85 PRO HB3 . 36771 1
648 . 1 . 1 66 66 PRO HG2 H 1 1.870 0.006 . 2 . . . . A 85 PRO HG2 . 36771 1
649 . 1 . 1 66 66 PRO HG3 H 1 1.870 0.006 . 2 . . . . A 85 PRO HG3 . 36771 1
650 . 1 . 1 66 66 PRO HD2 H 1 3.722 0.008 . 2 . . . . A 85 PRO HD2 . 36771 1
651 . 1 . 1 66 66 PRO HD3 H 1 3.317 0.003 . 2 . . . . A 85 PRO HD3 . 36771 1
652 . 1 . 1 66 66 PRO CA C 13 65.476 0.001 . 1 . . . . A 85 PRO CA . 36771 1
653 . 1 . 1 66 66 PRO CB C 13 31.670 0.035 . 1 . . . . A 85 PRO CB . 36771 1
654 . 1 . 1 66 66 PRO CG C 13 28.371 0.001 . 1 . . . . A 85 PRO CG . 36771 1
655 . 1 . 1 66 66 PRO CD C 13 51.799 0.032 . 1 . . . . A 85 PRO CD . 36771 1
656 . 1 . 1 67 67 HIS H H 1 7.467 0.005 . 1 . . . . A 86 HIS H . 36771 1
657 . 1 . 1 67 67 HIS HA H 1 4.602 0.010 . 1 . . . . A 86 HIS HA . 36771 1
658 . 1 . 1 67 67 HIS HB2 H 1 3.184 0.025 . 2 . . . . A 86 HIS HB2 . 36771 1
659 . 1 . 1 67 67 HIS HB3 H 1 2.937 0.022 . 2 . . . . A 86 HIS HB3 . 36771 1
660 . 1 . 1 67 67 HIS C C 13 176.839 0.002 . 1 . . . . A 86 HIS C . 36771 1
661 . 1 . 1 67 67 HIS CA C 13 55.474 0.001 . 1 . . . . A 86 HIS CA . 36771 1
662 . 1 . 1 67 67 HIS CB C 13 30.413 0.002 . 1 . . . . A 86 HIS CB . 36771 1
663 . 1 . 1 67 67 HIS N N 15 112.720 0.007 . 1 . . . . A 86 HIS N . 36771 1
664 . 1 . 1 68 68 HIS H H 1 7.847 0.002 . 1 . . . . A 87 HIS H . 36771 1
665 . 1 . 1 68 68 HIS HA H 1 5.281 0.008 . 1 . . . . A 87 HIS HA . 36771 1
666 . 1 . 1 68 68 HIS HB2 H 1 2.760 0.007 . 2 . . . . A 87 HIS HB2 . 36771 1
667 . 1 . 1 68 68 HIS HB3 H 1 3.078 0.012 . 2 . . . . A 87 HIS HB3 . 36771 1
668 . 1 . 1 68 68 HIS C C 13 174.278 0.002 . 1 . . . . A 87 HIS C . 36771 1
669 . 1 . 1 68 68 HIS CA C 13 53.868 0.001 . 1 . . . . A 87 HIS CA . 36771 1
670 . 1 . 1 68 68 HIS CB C 13 33.317 0.028 . 1 . . . . A 87 HIS CB . 36771 1
671 . 1 . 1 68 68 HIS N N 15 116.837 0.015 . 1 . . . . A 87 HIS N . 36771 1
672 . 1 . 1 69 69 SER H H 1 9.767 0.003 . 1 . . . . A 88 SER H . 36771 1
673 . 1 . 1 69 69 SER HA H 1 4.544 0.004 . 1 . . . . A 88 SER HA . 36771 1
674 . 1 . 1 69 69 SER HB2 H 1 4.127 0.020 . 2 . . . . A 88 SER HB2 . 36771 1
675 . 1 . 1 69 69 SER HB3 H 1 4.123 0.018 . 2 . . . . A 88 SER HB3 . 36771 1
676 . 1 . 1 69 69 SER C C 13 174.727 0.002 . 1 . . . . A 88 SER C . 36771 1
677 . 1 . 1 69 69 SER CA C 13 57.490 0.001 . 1 . . . . A 88 SER CA . 36771 1
678 . 1 . 1 69 69 SER CB C 13 65.338 0.010 . 1 . . . . A 88 SER CB . 36771 1
679 . 1 . 1 69 69 SER N N 15 120.995 0.015 . 1 . . . . A 88 SER N . 36771 1
680 . 1 . 1 70 70 ASP H H 1 9.447 0.007 . 1 . . . . A 89 ASP H . 36771 1
681 . 1 . 1 70 70 ASP HA H 1 4.182 0.014 . 1 . . . . A 89 ASP HA . 36771 1
682 . 1 . 1 70 70 ASP HB2 H 1 2.946 0.005 . 2 . . . . A 89 ASP HB2 . 36771 1
683 . 1 . 1 70 70 ASP HB3 H 1 2.763 0.008 . 2 . . . . A 89 ASP HB3 . 36771 1
684 . 1 . 1 70 70 ASP C C 13 174.495 0.002 . 1 . . . . A 89 ASP C . 36771 1
685 . 1 . 1 70 70 ASP CA C 13 58.356 0.001 . 1 . . . . A 89 ASP CA . 36771 1
686 . 1 . 1 70 70 ASP CB C 13 40.311 0.017 . 1 . . . . A 89 ASP CB . 36771 1
687 . 1 . 1 70 70 ASP N N 15 121.457 0.002 . 1 . . . . A 89 ASP N . 36771 1
688 . 1 . 1 71 71 GLY H H 1 9.091 0.012 . 1 . . . . A 90 GLY H . 36771 1
689 . 1 . 1 71 71 GLY HA2 H 1 4.465 0.014 . 2 . . . . A 90 GLY HA2 . 36771 1
690 . 1 . 1 71 71 GLY HA3 H 1 3.906 0.011 . 2 . . . . A 90 GLY HA3 . 36771 1
691 . 1 . 1 71 71 GLY C C 13 178.104 0.002 . 1 . . . . A 90 GLY C . 36771 1
692 . 1 . 1 71 71 GLY CA C 13 47.557 0.029 . 1 . . . . A 90 GLY CA . 36771 1
693 . 1 . 1 71 71 GLY N N 15 107.284 0.005 . 1 . . . . A 90 GLY N . 36771 1
694 . 1 . 1 72 72 ASP H H 1 7.659 0.007 . 1 . . . . A 91 ASP H . 36771 1
695 . 1 . 1 72 72 ASP HA H 1 4.090 0.011 . 1 . . . . A 91 ASP HA . 36771 1
696 . 1 . 1 72 72 ASP HB2 H 1 2.841 0.007 . 2 . . . . A 91 ASP HB2 . 36771 1
697 . 1 . 1 72 72 ASP HB3 H 1 3.216 0.018 . 2 . . . . A 91 ASP HB3 . 36771 1
698 . 1 . 1 72 72 ASP C C 13 176.571 0.002 . 1 . . . . A 91 ASP C . 36771 1
699 . 1 . 1 72 72 ASP CA C 13 56.480 0.001 . 1 . . . . A 91 ASP CA . 36771 1
700 . 1 . 1 72 72 ASP CB C 13 42.782 0.020 . 1 . . . . A 91 ASP CB . 36771 1
701 . 1 . 1 72 72 ASP N N 15 122.602 0.010 . 1 . . . . A 91 ASP N . 36771 1
702 . 1 . 1 73 73 LEU H H 1 7.971 0.009 . 1 . . . . A 92 LEU H . 36771 1
703 . 1 . 1 73 73 LEU HA H 1 3.283 0.010 . 1 . . . . A 92 LEU HA . 36771 1
704 . 1 . 1 73 73 LEU HB2 H 1 0.533 0.010 . 2 . . . . A 92 LEU HB2 . 36771 1
705 . 1 . 1 73 73 LEU HB3 H 1 1.849 0.009 . 2 . . . . A 92 LEU HB3 . 36771 1
706 . 1 . 1 73 73 LEU HG H 1 0.793 0.008 . 1 . . . . A 92 LEU HG . 36771 1
707 . 1 . 1 73 73 LEU HD11 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD11 . 36771 1
708 . 1 . 1 73 73 LEU HD12 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD12 . 36771 1
709 . 1 . 1 73 73 LEU HD13 H 1 0.560 0.008 . 2 . . . . A 92 LEU HD13 . 36771 1
710 . 1 . 1 73 73 LEU HD21 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD21 . 36771 1
711 . 1 . 1 73 73 LEU HD22 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD22 . 36771 1
712 . 1 . 1 73 73 LEU HD23 H 1 0.559 0.008 . 2 . . . . A 92 LEU HD23 . 36771 1
713 . 1 . 1 73 73 LEU C C 13 177.103 0.002 . 1 . . . . A 92 LEU C . 36771 1
714 . 1 . 1 73 73 LEU CA C 13 58.354 0.033 . 1 . . . . A 92 LEU CA . 36771 1
715 . 1 . 1 73 73 LEU CB C 13 42.595 0.026 . 1 . . . . A 92 LEU CB . 36771 1
716 . 1 . 1 73 73 LEU CG C 13 25.353 0.001 . 1 . . . . A 92 LEU CG . 36771 1
717 . 1 . 1 73 73 LEU CD1 C 13 22.874 0.014 . 2 . . . . A 92 LEU CD1 . 36771 1
718 . 1 . 1 73 73 LEU CD2 C 13 22.872 0.018 . 2 . . . . A 92 LEU CD2 . 36771 1
719 . 1 . 1 73 73 LEU N N 15 114.901 0.009 . 1 . . . . A 92 LEU N . 36771 1
720 . 1 . 1 74 74 ALA H H 1 8.316 0.006 . 1 . . . . A 93 ALA H . 36771 1
721 . 1 . 1 74 74 ALA HA H 1 2.694 0.006 . 1 . . . . A 93 ALA HA . 36771 1
722 . 1 . 1 74 74 ALA HB1 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB1 . 36771 1
723 . 1 . 1 74 74 ALA HB2 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB2 . 36771 1
724 . 1 . 1 74 74 ALA HB3 H 1 0.477 0.010 . 1 . . . . A 93 ALA HB3 . 36771 1
725 . 1 . 1 74 74 ALA C C 13 178.075 0.002 . 1 . . . . A 93 ALA C . 36771 1
726 . 1 . 1 74 74 ALA CA C 13 54.841 0.014 . 1 . . . . A 93 ALA CA . 36771 1
727 . 1 . 1 74 74 ALA CB C 13 18.091 0.029 . 1 . . . . A 93 ALA CB . 36771 1
728 . 1 . 1 74 74 ALA N N 15 118.350 0.009 . 1 . . . . A 93 ALA N . 36771 1
729 . 1 . 1 75 75 TYR H H 1 7.684 0.007 . 1 . . . . A 94 TYR H . 36771 1
730 . 1 . 1 75 75 TYR HA H 1 3.866 0.006 . 1 . . . . A 94 TYR HA . 36771 1
731 . 1 . 1 75 75 TYR HB2 H 1 3.236 0.011 . 2 . . . . A 94 TYR HB2 . 36771 1
732 . 1 . 1 75 75 TYR HB3 H 1 3.104 0.005 . 2 . . . . A 94 TYR HB3 . 36771 1
733 . 1 . 1 75 75 TYR C C 13 178.500 0.002 . 1 . . . . A 94 TYR C . 36771 1
734 . 1 . 1 75 75 TYR CA C 13 62.264 0.024 . 1 . . . . A 94 TYR CA . 36771 1
735 . 1 . 1 75 75 TYR CB C 13 38.560 0.020 . 1 . . . . A 94 TYR CB . 36771 1
736 . 1 . 1 75 75 TYR N N 15 118.870 0.003 . 1 . . . . A 94 TYR N . 36771 1
737 . 1 . 1 76 76 ARG H H 1 7.914 0.003 . 1 . . . . A 95 ARG H . 36771 1
738 . 1 . 1 76 76 ARG HA H 1 4.373 0.010 . 1 . . . . A 95 ARG HA . 36771 1
739 . 1 . 1 76 76 ARG HB2 H 1 1.473 0.001 . 2 . . . . A 95 ARG HB2 . 36771 1
740 . 1 . 1 76 76 ARG HB3 H 1 1.410 0.002 . 2 . . . . A 95 ARG HB3 . 36771 1
741 . 1 . 1 76 76 ARG HD2 H 1 2.112 0.017 . 2 . . . . A 95 ARG HD2 . 36771 1
742 . 1 . 1 76 76 ARG HD3 H 1 2.029 0.011 . 2 . . . . A 95 ARG HD3 . 36771 1
743 . 1 . 1 76 76 ARG C C 13 177.146 0.002 . 1 . . . . A 95 ARG C . 36771 1
744 . 1 . 1 76 76 ARG CA C 13 60.105 0.002 . 1 . . . . A 95 ARG CA . 36771 1
745 . 1 . 1 76 76 ARG CB C 13 29.185 0.001 . 1 . . . . A 95 ARG CB . 36771 1
746 . 1 . 1 76 76 ARG CD C 13 44.722 0.001 . 1 . . . . A 95 ARG CD . 36771 1
747 . 1 . 1 76 76 ARG N N 15 117.464 0.007 . 1 . . . . A 95 ARG N . 36771 1
748 . 1 . 1 77 77 VAL H H 1 6.891 0.008 . 1 . . . . A 96 VAL H . 36771 1
749 . 1 . 1 77 77 VAL HA H 1 2.334 0.013 . 1 . . . . A 96 VAL HA . 36771 1
750 . 1 . 1 77 77 VAL HB H 1 1.108 0.008 . 1 . . . . A 96 VAL HB . 36771 1
751 . 1 . 1 77 77 VAL HG11 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG11 . 36771 1
752 . 1 . 1 77 77 VAL HG12 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG12 . 36771 1
753 . 1 . 1 77 77 VAL HG13 H 1 -1.231 0.010 . 2 . . . . A 96 VAL HG13 . 36771 1
754 . 1 . 1 77 77 VAL HG21 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG21 . 36771 1
755 . 1 . 1 77 77 VAL HG22 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG22 . 36771 1
756 . 1 . 1 77 77 VAL HG23 H 1 -2.278 0.009 . 2 . . . . A 96 VAL HG23 . 36771 1
757 . 1 . 1 77 77 VAL C C 13 178.875 0.002 . 1 . . . . A 96 VAL C . 36771 1
758 . 1 . 1 77 77 VAL CA C 13 65.512 0.024 . 1 . . . . A 96 VAL CA . 36771 1
759 . 1 . 1 77 77 VAL CB C 13 30.055 0.006 . 1 . . . . A 96 VAL CB . 36771 1
760 . 1 . 1 77 77 VAL CG1 C 13 20.770 0.021 . 2 . . . . A 96 VAL CG1 . 36771 1
761 . 1 . 1 77 77 VAL CG2 C 13 21.711 0.035 . 2 . . . . A 96 VAL CG2 . 36771 1
762 . 1 . 1 77 77 VAL N N 15 114.795 0.003 . 1 . . . . A 96 VAL N . 36771 1
763 . 1 . 1 78 78 ARG H H 1 8.463 0.005 . 1 . . . . A 97 ARG H . 36771 1
764 . 1 . 1 78 78 ARG HA H 1 3.507 0.010 . 1 . . . . A 97 ARG HA . 36771 1
765 . 1 . 1 78 78 ARG HB2 H 1 1.825 0.012 . 2 . . . . A 97 ARG HB2 . 36771 1
766 . 1 . 1 78 78 ARG HB3 H 1 1.768 0.019 . 2 . . . . A 97 ARG HB3 . 36771 1
767 . 1 . 1 78 78 ARG HG2 H 1 1.478 0.008 . 2 . . . . A 97 ARG HG2 . 36771 1
768 . 1 . 1 78 78 ARG HG3 H 1 1.398 0.010 . 2 . . . . A 97 ARG HG3 . 36771 1
769 . 1 . 1 78 78 ARG HD2 H 1 3.176 0.011 . 2 . . . . A 97 ARG HD2 . 36771 1
770 . 1 . 1 78 78 ARG HD3 H 1 3.148 0.015 . 2 . . . . A 97 ARG HD3 . 36771 1
771 . 1 . 1 78 78 ARG C C 13 176.085 0.002 . 1 . . . . A 97 ARG C . 36771 1
772 . 1 . 1 78 78 ARG CA C 13 60.075 0.008 . 1 . . . . A 97 ARG CA . 36771 1
773 . 1 . 1 78 78 ARG CB C 13 31.972 0.001 . 1 . . . . A 97 ARG CB . 36771 1
774 . 1 . 1 78 78 ARG CG C 13 28.666 0.001 . 1 . . . . A 97 ARG CG . 36771 1
775 . 1 . 1 78 78 ARG CD C 13 43.552 0.042 . 1 . . . . A 97 ARG CD . 36771 1
776 . 1 . 1 78 78 ARG N N 15 119.900 0.010 . 1 . . . . A 97 ARG N . 36771 1
777 . 1 . 1 79 79 ILE H H 1 8.930 0.010 . 1 . . . . A 98 ILE H . 36771 1
778 . 1 . 1 79 79 ILE HA H 1 4.653 0.011 . 1 . . . . A 98 ILE HA . 36771 1
779 . 1 . 1 79 79 ILE HB H 1 2.061 0.004 . 1 . . . . A 98 ILE HB . 36771 1
780 . 1 . 1 79 79 ILE HG12 H 1 1.276 0.008 . 2 . . . . A 98 ILE HG12 . 36771 1
781 . 1 . 1 79 79 ILE HG13 H 1 1.276 0.008 . 2 . . . . A 98 ILE HG13 . 36771 1
782 . 1 . 1 79 79 ILE HG21 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG21 . 36771 1
783 . 1 . 1 79 79 ILE HG22 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG22 . 36771 1
784 . 1 . 1 79 79 ILE HG23 H 1 1.444 0.007 . 1 . . . . A 98 ILE HG23 . 36771 1
785 . 1 . 1 79 79 ILE HD11 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD11 . 36771 1
786 . 1 . 1 79 79 ILE HD12 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD12 . 36771 1
787 . 1 . 1 79 79 ILE HD13 H 1 0.905 0.007 . 1 . . . . A 98 ILE HD13 . 36771 1
788 . 1 . 1 79 79 ILE C C 13 178.061 0.002 . 1 . . . . A 98 ILE C . 36771 1
789 . 1 . 1 79 79 ILE CA C 13 60.936 0.001 . 1 . . . . A 98 ILE CA . 36771 1
790 . 1 . 1 79 79 ILE CB C 13 38.575 0.001 . 1 . . . . A 98 ILE CB . 36771 1
791 . 1 . 1 79 79 ILE CG1 C 13 27.501 0.001 . 1 . . . . A 98 ILE CG1 . 36771 1
792 . 1 . 1 79 79 ILE CG2 C 13 17.883 0.005 . 1 . . . . A 98 ILE CG2 . 36771 1
793 . 1 . 1 79 79 ILE CD1 C 13 10.236 0.017 . 1 . . . . A 98 ILE CD1 . 36771 1
794 . 1 . 1 79 79 ILE N N 15 117.306 0.013 . 1 . . . . A 98 ILE N . 36771 1
795 . 1 . 1 80 80 GLY H H 1 8.840 0.011 . 1 . . . . A 99 GLY H . 36771 1
796 . 1 . 1 80 80 GLY HA2 H 1 6.838 0.008 . 2 . . . . A 99 GLY HA2 . 36771 1
797 . 1 . 1 80 80 GLY HA3 H 1 7.408 0.020 . 2 . . . . A 99 GLY HA3 . 36771 1
798 . 1 . 1 80 80 GLY C C 13 178.820 0.002 . 1 . . . . A 99 GLY C . 36771 1
799 . 1 . 1 80 80 GLY CA C 13 46.297 0.011 . 1 . . . . A 99 GLY CA . 36771 1
800 . 1 . 1 80 80 GLY N N 15 109.106 0.006 . 1 . . . . A 99 GLY N . 36771 1
801 . 1 . 1 81 81 ARG H H 1 10.949 0.010 . 1 . . . . A 100 ARG H . 36771 1
802 . 1 . 1 81 81 ARG HA H 1 4.507 0.001 . 1 . . . . A 100 ARG HA . 36771 1
803 . 1 . 1 81 81 ARG HB2 H 1 0.775 0.008 . 2 . . . . A 100 ARG HB2 . 36771 1
804 . 1 . 1 81 81 ARG HB3 H 1 1.315 0.008 . 2 . . . . A 100 ARG HB3 . 36771 1
805 . 1 . 1 81 81 ARG HG2 H 1 1.322 0.003 . 2 . . . . A 100 ARG HG2 . 36771 1
806 . 1 . 1 81 81 ARG HG3 H 1 1.322 0.003 . 2 . . . . A 100 ARG HG3 . 36771 1
807 . 1 . 1 81 81 ARG HD2 H 1 2.257 0.006 . 2 . . . . A 100 ARG HD2 . 36771 1
808 . 1 . 1 81 81 ARG HD3 H 1 1.776 0.009 . 2 . . . . A 100 ARG HD3 . 36771 1
809 . 1 . 1 81 81 ARG C C 13 173.091 0.002 . 1 . . . . A 100 ARG C . 36771 1
810 . 1 . 1 81 81 ARG CA C 13 58.933 0.001 . 1 . . . . A 100 ARG CA . 36771 1
811 . 1 . 1 81 81 ARG CB C 13 31.343 0.036 . 1 . . . . A 100 ARG CB . 36771 1
812 . 1 . 1 81 81 ARG CG C 13 26.820 0.001 . 1 . . . . A 100 ARG CG . 36771 1
813 . 1 . 1 81 81 ARG CD C 13 43.085 0.033 . 1 . . . . A 100 ARG CD . 36771 1
814 . 1 . 1 81 81 ARG N N 15 116.688 0.005 . 1 . . . . A 100 ARG N . 36771 1
815 . 1 . 1 83 83 PRO HA H 1 4.233 0.005 . 1 . . . . A 102 PRO HA . 36771 1
816 . 1 . 1 83 83 PRO HB2 H 1 1.653 0.008 . 2 . . . . A 102 PRO HB2 . 36771 1
817 . 1 . 1 83 83 PRO HB3 H 1 0.424 0.009 . 2 . . . . A 102 PRO HB3 . 36771 1
818 . 1 . 1 83 83 PRO HG2 H 1 1.178 0.006 . 2 . . . . A 102 PRO HG2 . 36771 1
819 . 1 . 1 83 83 PRO HG3 H 1 0.214 0.011 . 2 . . . . A 102 PRO HG3 . 36771 1
820 . 1 . 1 83 83 PRO HD2 H 1 3.345 0.013 . 2 . . . . A 102 PRO HD2 . 36771 1
821 . 1 . 1 83 83 PRO HD3 H 1 3.281 0.004 . 2 . . . . A 102 PRO HD3 . 36771 1
822 . 1 . 1 83 83 PRO CA C 13 63.071 0.011 . 1 . . . . A 102 PRO CA . 36771 1
823 . 1 . 1 83 83 PRO CB C 13 31.881 0.014 . 1 . . . . A 102 PRO CB . 36771 1
824 . 1 . 1 83 83 PRO CG C 13 25.909 0.017 . 1 . . . . A 102 PRO CG . 36771 1
825 . 1 . 1 83 83 PRO CD C 13 50.573 0.022 . 1 . . . . A 102 PRO CD . 36771 1
826 . 1 . 1 84 84 MET H H 1 7.913 0.003 . 1 . . . . A 103 MET H . 36771 1
827 . 1 . 1 84 84 MET HE1 H 1 0.709 0.007 . 1 . . . . A 103 MET HE1 . 36771 1
828 . 1 . 1 84 84 MET HE2 H 1 0.709 0.007 . 1 . . . . A 103 MET HE2 . 36771 1
829 . 1 . 1 84 84 MET HE3 H 1 0.709 0.007 . 1 . . . . A 103 MET HE3 . 36771 1
830 . 1 . 1 84 84 MET C C 13 176.223 0.002 . 1 . . . . A 103 MET C . 36771 1
831 . 1 . 1 84 84 MET CE C 13 15.881 0.016 . 1 . . . . A 103 MET CE . 36771 1
832 . 1 . 1 84 84 MET N N 15 120.034 0.017 . 1 . . . . A 103 MET N . 36771 1
833 . 1 . 1 85 85 PRO HA H 1 6.012 0.005 . 1 . . . . A 104 PRO HA . 36771 1
834 . 1 . 1 85 85 PRO HB2 H 1 3.483 0.003 . 2 . . . . A 104 PRO HB2 . 36771 1
835 . 1 . 1 85 85 PRO HB3 H 1 3.158 0.010 . 2 . . . . A 104 PRO HB3 . 36771 1
836 . 1 . 1 85 85 PRO HG2 H 1 4.004 0.001 . 2 . . . . A 104 PRO HG2 . 36771 1
837 . 1 . 1 85 85 PRO HG3 H 1 3.854 0.005 . 2 . . . . A 104 PRO HG3 . 36771 1
838 . 1 . 1 85 85 PRO CA C 13 65.835 0.030 . 1 . . . . A 104 PRO CA . 36771 1
839 . 1 . 1 85 85 PRO CB C 13 33.506 0.017 . 1 . . . . A 104 PRO CB . 36771 1
840 . 1 . 1 85 85 PRO CG C 13 30.693 0.020 . 1 . . . . A 104 PRO CG . 36771 1
841 . 1 . 1 86 86 GLY H H 1 9.337 0.007 . 1 . . . . A 105 GLY H . 36771 1
842 . 1 . 1 86 86 GLY HA2 H 1 5.971 0.010 . 2 . . . . A 105 GLY HA2 . 36771 1
843 . 1 . 1 86 86 GLY HA3 H 1 4.250 0.008 . 2 . . . . A 105 GLY HA3 . 36771 1
844 . 1 . 1 86 86 GLY C C 13 177.007 0.002 . 1 . . . . A 105 GLY C . 36771 1
845 . 1 . 1 86 86 GLY CA C 13 45.469 0.033 . 1 . . . . A 105 GLY CA . 36771 1
846 . 1 . 1 86 86 GLY N N 15 103.373 0.009 . 1 . . . . A 105 GLY N . 36771 1
847 . 1 . 1 87 87 PHE H H 1 9.354 0.005 . 1 . . . . A 106 PHE H . 36771 1
848 . 1 . 1 87 87 PHE HA H 1 4.742 0.009 . 1 . . . . A 106 PHE HA . 36771 1
849 . 1 . 1 87 87 PHE HB2 H 1 2.766 0.010 . 2 . . . . A 106 PHE HB2 . 36771 1
850 . 1 . 1 87 87 PHE HB3 H 1 1.918 0.008 . 2 . . . . A 106 PHE HB3 . 36771 1
851 . 1 . 1 87 87 PHE C C 13 177.049 0.002 . 1 . . . . A 106 PHE C . 36771 1
852 . 1 . 1 87 87 PHE CA C 13 59.517 0.001 . 1 . . . . A 106 PHE CA . 36771 1
853 . 1 . 1 87 87 PHE CB C 13 39.083 0.020 . 1 . . . . A 106 PHE CB . 36771 1
854 . 1 . 1 87 87 PHE N N 15 120.049 0.005 . 1 . . . . A 106 PHE N . 36771 1
855 . 1 . 1 88 88 GLY H H 1 9.522 0.006 . 1 . . . . A 107 GLY H . 36771 1
856 . 1 . 1 88 88 GLY HA2 H 1 3.945 0.006 . 2 . . . . A 107 GLY HA2 . 36771 1
857 . 1 . 1 88 88 GLY HA3 H 1 3.839 0.011 . 2 . . . . A 107 GLY HA3 . 36771 1
858 . 1 . 1 88 88 GLY C C 13 176.702 0.002 . 1 . . . . A 107 GLY C . 36771 1
859 . 1 . 1 88 88 GLY CA C 13 47.347 0.030 . 1 . . . . A 107 GLY CA . 36771 1
860 . 1 . 1 88 88 GLY N N 15 110.330 0.011 . 1 . . . . A 107 GLY N . 36771 1
861 . 1 . 1 89 89 ASP H H 1 8.374 0.005 . 1 . . . . A 108 ASP H . 36771 1
862 . 1 . 1 89 89 ASP HA H 1 4.788 0.002 . 1 . . . . A 108 ASP HA . 36771 1
863 . 1 . 1 89 89 ASP HB2 H 1 2.750 0.005 . 2 . . . . A 108 ASP HB2 . 36771 1
864 . 1 . 1 89 89 ASP HB3 H 1 2.763 0.015 . 2 . . . . A 108 ASP HB3 . 36771 1
865 . 1 . 1 89 89 ASP C C 13 173.597 0.002 . 1 . . . . A 108 ASP C . 36771 1
866 . 1 . 1 89 89 ASP CA C 13 54.937 0.001 . 1 . . . . A 108 ASP CA . 36771 1
867 . 1 . 1 89 89 ASP CB C 13 40.758 0.005 . 1 . . . . A 108 ASP CB . 36771 1
868 . 1 . 1 89 89 ASP N N 15 116.090 0.007 . 1 . . . . A 108 ASP N . 36771 1
869 . 1 . 1 90 90 ALA H H 1 7.548 0.007 . 1 . . . . A 109 ALA H . 36771 1
870 . 1 . 1 90 90 ALA HA H 1 4.449 0.005 . 1 . . . . A 109 ALA HA . 36771 1
871 . 1 . 1 90 90 ALA HB1 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB1 . 36771 1
872 . 1 . 1 90 90 ALA HB2 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB2 . 36771 1
873 . 1 . 1 90 90 ALA HB3 H 1 1.405 0.005 . 1 . . . . A 109 ALA HB3 . 36771 1
874 . 1 . 1 90 90 ALA C C 13 176.220 0.002 . 1 . . . . A 109 ALA C . 36771 1
875 . 1 . 1 90 90 ALA CA C 13 52.928 0.001 . 1 . . . . A 109 ALA CA . 36771 1
876 . 1 . 1 90 90 ALA CB C 13 21.128 0.015 . 1 . . . . A 109 ALA CB . 36771 1
877 . 1 . 1 90 90 ALA N N 15 121.949 0.013 . 1 . . . . A 109 ALA N . 36771 1
878 . 1 . 1 91 91 LEU H H 1 7.729 0.005 . 1 . . . . A 110 LEU H . 36771 1
879 . 1 . 1 91 91 LEU HA H 1 4.537 0.010 . 1 . . . . A 110 LEU HA . 36771 1
880 . 1 . 1 91 91 LEU HB2 H 1 1.394 0.013 . 2 . . . . A 110 LEU HB2 . 36771 1
881 . 1 . 1 91 91 LEU HB3 H 1 1.279 0.003 . 2 . . . . A 110 LEU HB3 . 36771 1
882 . 1 . 1 91 91 LEU HG H 1 1.384 0.005 . 1 . . . . A 110 LEU HG . 36771 1
883 . 1 . 1 91 91 LEU HD11 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD11 . 36771 1
884 . 1 . 1 91 91 LEU HD12 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD12 . 36771 1
885 . 1 . 1 91 91 LEU HD13 H 1 -0.188 0.008 . 2 . . . . A 110 LEU HD13 . 36771 1
886 . 1 . 1 91 91 LEU HD21 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD21 . 36771 1
887 . 1 . 1 91 91 LEU HD22 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD22 . 36771 1
888 . 1 . 1 91 91 LEU HD23 H 1 0.312 0.007 . 2 . . . . A 110 LEU HD23 . 36771 1
889 . 1 . 1 91 91 LEU C C 13 176.476 0.002 . 1 . . . . A 110 LEU C . 36771 1
890 . 1 . 1 91 91 LEU CA C 13 52.954 0.001 . 1 . . . . A 110 LEU CA . 36771 1
891 . 1 . 1 91 91 LEU CB C 13 43.182 0.023 . 1 . . . . A 110 LEU CB . 36771 1
892 . 1 . 1 91 91 LEU CG C 13 26.899 0.034 . 1 . . . . A 110 LEU CG . 36771 1
893 . 1 . 1 91 91 LEU CD1 C 13 25.153 0.014 . 2 . . . . A 110 LEU CD1 . 36771 1
894 . 1 . 1 91 91 LEU CD2 C 13 22.462 0.020 . 2 . . . . A 110 LEU CD2 . 36771 1
895 . 1 . 1 91 91 LEU N N 15 117.859 0.007 . 1 . . . . A 110 LEU N . 36771 1
896 . 1 . 1 92 92 ASP H H 1 8.667 0.002 . 1 . . . . A 111 ASP H . 36771 1
897 . 1 . 1 92 92 ASP HA H 1 4.607 0.004 . 1 . . . . A 111 ASP HA . 36771 1
898 . 1 . 1 92 92 ASP HB2 H 1 2.592 0.006 . 2 . . . . A 111 ASP HB2 . 36771 1
899 . 1 . 1 92 92 ASP HB3 H 1 2.733 0.008 . 2 . . . . A 111 ASP HB3 . 36771 1
900 . 1 . 1 92 92 ASP C C 13 175.917 0.002 . 1 . . . . A 111 ASP C . 36771 1
901 . 1 . 1 92 92 ASP CA C 13 52.944 0.002 . 1 . . . . A 111 ASP CA . 36771 1
902 . 1 . 1 92 92 ASP CB C 13 42.426 0.012 . 1 . . . . A 111 ASP CB . 36771 1
903 . 1 . 1 92 92 ASP N N 15 120.971 0.007 . 1 . . . . A 111 ASP N . 36771 1
904 . 1 . 1 93 93 GLU H H 1 8.338 0.001 . 1 . . . . A 112 GLU H . 36771 1
905 . 1 . 1 93 93 GLU HA H 1 3.652 0.006 . 1 . . . . A 112 GLU HA . 36771 1
906 . 1 . 1 93 93 GLU HB2 H 1 2.047 0.008 . 2 . . . . A 112 GLU HB2 . 36771 1
907 . 1 . 1 93 93 GLU HB3 H 1 1.925 0.011 . 2 . . . . A 112 GLU HB3 . 36771 1
908 . 1 . 1 93 93 GLU HG2 H 1 2.354 0.011 . 2 . . . . A 112 GLU HG2 . 36771 1
909 . 1 . 1 93 93 GLU HG3 H 1 2.256 0.010 . 2 . . . . A 112 GLU HG3 . 36771 1
910 . 1 . 1 93 93 GLU C C 13 176.545 0.002 . 1 . . . . A 112 GLU C . 36771 1
911 . 1 . 1 93 93 GLU CA C 13 60.246 0.013 . 1 . . . . A 112 GLU CA . 36771 1
912 . 1 . 1 93 93 GLU CB C 13 29.639 0.018 . 1 . . . . A 112 GLU CB . 36771 1
913 . 1 . 1 93 93 GLU CG C 13 36.391 0.001 . 1 . . . . A 112 GLU CG . 36771 1
914 . 1 . 1 93 93 GLU N N 15 120.133 0.004 . 1 . . . . A 112 GLU N . 36771 1
915 . 1 . 1 94 94 ARG H H 1 8.409 0.006 . 1 . . . . A 113 ARG H . 36771 1
916 . 1 . 1 94 94 ARG HA H 1 3.875 0.006 . 1 . . . . A 113 ARG HA . 36771 1
917 . 1 . 1 94 94 ARG HB2 H 1 1.803 0.001 . 2 . . . . A 113 ARG HB2 . 36771 1
918 . 1 . 1 94 94 ARG HB3 H 1 1.892 0.016 . 2 . . . . A 113 ARG HB3 . 36771 1
919 . 1 . 1 94 94 ARG HG2 H 1 1.887 0.017 . 2 . . . . A 113 ARG HG2 . 36771 1
920 . 1 . 1 94 94 ARG HG3 H 1 1.883 0.015 . 2 . . . . A 113 ARG HG3 . 36771 1
921 . 1 . 1 94 94 ARG HD2 H 1 3.254 0.002 . 2 . . . . A 113 ARG HD2 . 36771 1
922 . 1 . 1 94 94 ARG HD3 H 1 3.071 0.002 . 2 . . . . A 113 ARG HD3 . 36771 1
923 . 1 . 1 94 94 ARG C C 13 178.305 0.002 . 1 . . . . A 113 ARG C . 36771 1
924 . 1 . 1 94 94 ARG CA C 13 60.334 0.010 . 1 . . . . A 113 ARG CA . 36771 1
925 . 1 . 1 94 94 ARG CB C 13 30.200 0.001 . 1 . . . . A 113 ARG CB . 36771 1
926 . 1 . 1 94 94 ARG CG C 13 26.591 0.001 . 1 . . . . A 113 ARG CG . 36771 1
927 . 1 . 1 94 94 ARG CD C 13 43.779 0.016 . 1 . . . . A 113 ARG CD . 36771 1
928 . 1 . 1 94 94 ARG N N 15 118.039 0.014 . 1 . . . . A 113 ARG N . 36771 1
929 . 1 . 1 95 95 ASP H H 1 7.194 0.003 . 1 . . . . A 114 ASP H . 36771 1
930 . 1 . 1 95 95 ASP HA H 1 3.874 0.008 . 1 . . . . A 114 ASP HA . 36771 1
931 . 1 . 1 95 95 ASP HB2 H 1 2.205 0.009 . 2 . . . . A 114 ASP HB2 . 36771 1
932 . 1 . 1 95 95 ASP HB3 H 1 3.065 0.008 . 2 . . . . A 114 ASP HB3 . 36771 1
933 . 1 . 1 95 95 ASP C C 13 176.738 0.002 . 1 . . . . A 114 ASP C . 36771 1
934 . 1 . 1 95 95 ASP CA C 13 56.940 0.011 . 1 . . . . A 114 ASP CA . 36771 1
935 . 1 . 1 95 95 ASP CB C 13 41.938 0.014 . 1 . . . . A 114 ASP CB . 36771 1
936 . 1 . 1 95 95 ASP N N 15 116.131 0.006 . 1 . . . . A 114 ASP N . 36771 1
937 . 1 . 1 96 96 ILE H H 1 6.998 0.008 . 1 . . . . A 115 ILE H . 36771 1
938 . 1 . 1 96 96 ILE HA H 1 2.816 0.009 . 1 . . . . A 115 ILE HA . 36771 1
939 . 1 . 1 96 96 ILE HB H 1 1.392 0.009 . 1 . . . . A 115 ILE HB . 36771 1
940 . 1 . 1 96 96 ILE HG12 H 1 0.310 0.009 . 2 . . . . A 115 ILE HG12 . 36771 1
941 . 1 . 1 96 96 ILE HG13 H 1 1.129 0.010 . 2 . . . . A 115 ILE HG13 . 36771 1
942 . 1 . 1 96 96 ILE HG21 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG21 . 36771 1
943 . 1 . 1 96 96 ILE HG22 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG22 . 36771 1
944 . 1 . 1 96 96 ILE HG23 H 1 -0.121 0.013 . 1 . . . . A 115 ILE HG23 . 36771 1
945 . 1 . 1 96 96 ILE HD11 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD11 . 36771 1
946 . 1 . 1 96 96 ILE HD12 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD12 . 36771 1
947 . 1 . 1 96 96 ILE HD13 H 1 0.125 0.008 . 1 . . . . A 115 ILE HD13 . 36771 1
948 . 1 . 1 96 96 ILE C C 13 177.550 0.002 . 1 . . . . A 115 ILE C . 36771 1
949 . 1 . 1 96 96 ILE CA C 13 64.629 0.019 . 1 . . . . A 115 ILE CA . 36771 1
950 . 1 . 1 96 96 ILE CB C 13 35.602 0.019 . 1 . . . . A 115 ILE CB . 36771 1
951 . 1 . 1 96 96 ILE CG1 C 13 28.677 0.022 . 1 . . . . A 115 ILE CG1 . 36771 1
952 . 1 . 1 96 96 ILE CG2 C 13 17.180 0.016 . 1 . . . . A 115 ILE CG2 . 36771 1
953 . 1 . 1 96 96 ILE CD1 C 13 11.059 0.034 . 1 . . . . A 115 ILE CD1 . 36771 1
954 . 1 . 1 96 96 ILE N N 15 116.919 0.007 . 1 . . . . A 115 ILE N . 36771 1
955 . 1 . 1 97 97 TRP H H 1 7.423 0.004 . 1 . . . . A 116 TRP H . 36771 1
956 . 1 . 1 97 97 TRP HA H 1 4.370 0.009 . 1 . . . . A 116 TRP HA . 36771 1
957 . 1 . 1 97 97 TRP HB2 H 1 3.429 0.006 . 2 . . . . A 116 TRP HB2 . 36771 1
958 . 1 . 1 97 97 TRP HB3 H 1 2.938 0.007 . 2 . . . . A 116 TRP HB3 . 36771 1
959 . 1 . 1 97 97 TRP HE1 H 1 10.465 0.002 . 1 . . . . A 116 TRP HE1 . 36771 1
960 . 1 . 1 97 97 TRP C C 13 177.354 0.002 . 1 . . . . A 116 TRP C . 36771 1
961 . 1 . 1 97 97 TRP CA C 13 59.628 0.001 . 1 . . . . A 116 TRP CA . 36771 1
962 . 1 . 1 97 97 TRP CB C 13 29.570 0.029 . 1 . . . . A 116 TRP CB . 36771 1
963 . 1 . 1 97 97 TRP N N 15 119.754 0.006 . 1 . . . . A 116 TRP N . 36771 1
964 . 1 . 1 97 97 TRP NE1 N 15 128.298 0.012 . 1 . . . . A 116 TRP NE1 . 36771 1
965 . 1 . 1 98 98 ASP H H 1 8.735 0.002 . 1 . . . . A 117 ASP H . 36771 1
966 . 1 . 1 98 98 ASP HA H 1 4.139 0.013 . 1 . . . . A 117 ASP HA . 36771 1
967 . 1 . 1 98 98 ASP HB2 H 1 2.522 0.012 . 2 . . . . A 117 ASP HB2 . 36771 1
968 . 1 . 1 98 98 ASP HB3 H 1 2.522 0.012 . 2 . . . . A 117 ASP HB3 . 36771 1
969 . 1 . 1 98 98 ASP C C 13 178.325 0.002 . 1 . . . . A 117 ASP C . 36771 1
970 . 1 . 1 98 98 ASP CA C 13 58.098 0.002 . 1 . . . . A 117 ASP CA . 36771 1
971 . 1 . 1 98 98 ASP CB C 13 39.515 0.001 . 1 . . . . A 117 ASP CB . 36771 1
972 . 1 . 1 98 98 ASP N N 15 120.493 0.009 . 1 . . . . A 117 ASP N . 36771 1
973 . 1 . 1 99 99 LEU H H 1 7.571 0.006 . 1 . . . . A 118 LEU H . 36771 1
974 . 1 . 1 99 99 LEU HA H 1 3.408 0.007 . 1 . . . . A 118 LEU HA . 36771 1
975 . 1 . 1 99 99 LEU HB2 H 1 -0.270 0.011 . 2 . . . . A 118 LEU HB2 . 36771 1
976 . 1 . 1 99 99 LEU HB3 H 1 1.540 0.008 . 2 . . . . A 118 LEU HB3 . 36771 1
977 . 1 . 1 99 99 LEU HG H 1 -0.553 0.015 . 1 . . . . A 118 LEU HG . 36771 1
978 . 1 . 1 99 99 LEU HD11 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD11 . 36771 1
979 . 1 . 1 99 99 LEU HD12 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD12 . 36771 1
980 . 1 . 1 99 99 LEU HD13 H 1 0.013 0.013 . 2 . . . . A 118 LEU HD13 . 36771 1
981 . 1 . 1 99 99 LEU HD21 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD21 . 36771 1
982 . 1 . 1 99 99 LEU HD22 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD22 . 36771 1
983 . 1 . 1 99 99 LEU HD23 H 1 0.015 0.011 . 2 . . . . A 118 LEU HD23 . 36771 1
984 . 1 . 1 99 99 LEU C C 13 179.269 0.002 . 1 . . . . A 118 LEU C . 36771 1
985 . 1 . 1 99 99 LEU CA C 13 58.386 0.018 . 1 . . . . A 118 LEU CA . 36771 1
986 . 1 . 1 99 99 LEU CB C 13 42.211 0.035 . 1 . . . . A 118 LEU CB . 36771 1
987 . 1 . 1 99 99 LEU CG C 13 26.556 0.010 . 1 . . . . A 118 LEU CG . 36771 1
988 . 1 . 1 99 99 LEU CD2 C 13 24.020 0.028 . 1 . . . . A 118 LEU CD2 . 36771 1
989 . 1 . 1 99 99 LEU N N 15 120.659 0.014 . 1 . . . . A 118 LEU N . 36771 1
990 . 1 . 1 100 100 VAL H H 1 7.851 0.008 . 1 . . . . A 119 VAL H . 36771 1
991 . 1 . 1 100 100 VAL HA H 1 2.913 0.008 . 1 . . . . A 119 VAL HA . 36771 1
992 . 1 . 1 100 100 VAL HB H 1 2.299 0.010 . 1 . . . . A 119 VAL HB . 36771 1
993 . 1 . 1 100 100 VAL HG11 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG11 . 36771 1
994 . 1 . 1 100 100 VAL HG12 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG12 . 36771 1
995 . 1 . 1 100 100 VAL HG13 H 1 0.860 0.008 . 2 . . . . A 119 VAL HG13 . 36771 1
996 . 1 . 1 100 100 VAL HG21 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG21 . 36771 1
997 . 1 . 1 100 100 VAL HG22 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG22 . 36771 1
998 . 1 . 1 100 100 VAL HG23 H 1 0.400 0.013 . 2 . . . . A 119 VAL HG23 . 36771 1
999 . 1 . 1 100 100 VAL C C 13 178.649 0.002 . 1 . . . . A 119 VAL C . 36771 1
1000 . 1 . 1 100 100 VAL CA C 13 67.710 0.018 . 1 . . . . A 119 VAL CA . 36771 1
1001 . 1 . 1 100 100 VAL CB C 13 30.937 0.029 . 1 . . . . A 119 VAL CB . 36771 1
1002 . 1 . 1 100 100 VAL CG1 C 13 21.033 0.001 . 2 . . . . A 119 VAL CG1 . 36771 1
1003 . 1 . 1 100 100 VAL CG2 C 13 22.595 0.001 . 2 . . . . A 119 VAL CG2 . 36771 1
1004 . 1 . 1 100 100 VAL N N 15 121.116 0.006 . 1 . . . . A 119 VAL N . 36771 1
1005 . 1 . 1 101 101 ASN H H 1 8.641 0.006 . 1 . . . . A 120 ASN H . 36771 1
1006 . 1 . 1 101 101 ASN HA H 1 4.220 0.014 . 1 . . . . A 120 ASN HA . 36771 1
1007 . 1 . 1 101 101 ASN HB2 H 1 3.011 0.007 . 2 . . . . A 120 ASN HB2 . 36771 1
1008 . 1 . 1 101 101 ASN HB3 H 1 2.257 0.013 . 2 . . . . A 120 ASN HB3 . 36771 1
1009 . 1 . 1 101 101 ASN HD21 H 1 8.264 0.005 . 1 . . . . A 120 ASN HD21 . 36771 1
1010 . 1 . 1 101 101 ASN HD22 H 1 6.643 0.015 . 1 . . . . A 120 ASN HD22 . 36771 1
1011 . 1 . 1 101 101 ASN C C 13 176.637 0.002 . 1 . . . . A 120 ASN C . 36771 1
1012 . 1 . 1 101 101 ASN CA C 13 55.805 0.035 . 1 . . . . A 120 ASN CA . 36771 1
1013 . 1 . 1 101 101 ASN CB C 13 36.451 0.034 . 1 . . . . A 120 ASN CB . 36771 1
1014 . 1 . 1 101 101 ASN N N 15 119.485 0.022 . 1 . . . . A 120 ASN N . 36771 1
1015 . 1 . 1 101 101 ASN ND2 N 15 110.250 0.007 . 1 . . . . A 120 ASN ND2 . 36771 1
1016 . 1 . 1 102 102 PHE H H 1 8.564 0.004 . 1 . . . . A 121 PHE H . 36771 1
1017 . 1 . 1 102 102 PHE HA H 1 3.987 0.010 . 1 . . . . A 121 PHE HA . 36771 1
1018 . 1 . 1 102 102 PHE HB2 H 1 2.933 0.009 . 2 . . . . A 121 PHE HB2 . 36771 1
1019 . 1 . 1 102 102 PHE HB3 H 1 2.933 0.009 . 2 . . . . A 121 PHE HB3 . 36771 1
1020 . 1 . 1 102 102 PHE C C 13 178.503 0.002 . 1 . . . . A 121 PHE C . 36771 1
1021 . 1 . 1 102 102 PHE CA C 13 62.023 0.039 . 1 . . . . A 121 PHE CA . 36771 1
1022 . 1 . 1 102 102 PHE CB C 13 39.756 0.022 . 1 . . . . A 121 PHE CB . 36771 1
1023 . 1 . 1 102 102 PHE N N 15 122.167 0.005 . 1 . . . . A 121 PHE N . 36771 1
1024 . 1 . 1 103 103 MET H H 1 8.420 0.003 . 1 . . . . A 122 MET H . 36771 1
1025 . 1 . 1 103 103 MET HA H 1 3.281 0.003 . 1 . . . . A 122 MET HA . 36771 1
1026 . 1 . 1 103 103 MET HB2 H 1 1.490 0.009 . 2 . . . . A 122 MET HB2 . 36771 1
1027 . 1 . 1 103 103 MET HB3 H 1 2.134 0.005 . 2 . . . . A 122 MET HB3 . 36771 1
1028 . 1 . 1 103 103 MET HG2 H 1 2.410 0.005 . 2 . . . . A 122 MET HG2 . 36771 1
1029 . 1 . 1 103 103 MET HG3 H 1 2.410 0.005 . 2 . . . . A 122 MET HG3 . 36771 1
1030 . 1 . 1 103 103 MET C C 13 175.900 0.002 . 1 . . . . A 122 MET C . 36771 1
1031 . 1 . 1 103 103 MET CA C 13 60.349 0.028 . 1 . . . . A 122 MET CA . 36771 1
1032 . 1 . 1 103 103 MET CB C 13 34.292 0.019 . 1 . . . . A 122 MET CB . 36771 1
1033 . 1 . 1 103 103 MET CG C 13 31.647 0.001 . 1 . . . . A 122 MET CG . 36771 1
1034 . 1 . 1 103 103 MET N N 15 118.850 0.018 . 1 . . . . A 122 MET N . 36771 1
1035 . 1 . 1 104 104 ARG H H 1 8.489 0.003 . 1 . . . . A 123 ARG H . 36771 1
1036 . 1 . 1 104 104 ARG HA H 1 3.715 0.007 . 1 . . . . A 123 ARG HA . 36771 1
1037 . 1 . 1 104 104 ARG HB2 H 1 1.945 0.012 . 2 . . . . A 123 ARG HB2 . 36771 1
1038 . 1 . 1 104 104 ARG HB3 H 1 1.785 0.014 . 2 . . . . A 123 ARG HB3 . 36771 1
1039 . 1 . 1 104 104 ARG HG2 H 1 1.734 0.008 . 2 . . . . A 123 ARG HG2 . 36771 1
1040 . 1 . 1 104 104 ARG HG3 H 1 1.734 0.008 . 2 . . . . A 123 ARG HG3 . 36771 1
1041 . 1 . 1 104 104 ARG HD2 H 1 3.165 0.020 . 2 . . . . A 123 ARG HD2 . 36771 1
1042 . 1 . 1 104 104 ARG HD3 H 1 3.112 0.019 . 2 . . . . A 123 ARG HD3 . 36771 1
1043 . 1 . 1 104 104 ARG C C 13 177.999 0.002 . 1 . . . . A 123 ARG C . 36771 1
1044 . 1 . 1 104 104 ARG CA C 13 58.711 0.019 . 1 . . . . A 123 ARG CA . 36771 1
1045 . 1 . 1 104 104 ARG CB C 13 28.902 0.001 . 1 . . . . A 123 ARG CB . 36771 1
1046 . 1 . 1 104 104 ARG CG C 13 26.445 0.034 . 1 . . . . A 123 ARG CG . 36771 1
1047 . 1 . 1 104 104 ARG CD C 13 42.182 0.085 . 1 . . . . A 123 ARG CD . 36771 1
1048 . 1 . 1 104 104 ARG N N 15 117.306 0.008 . 1 . . . . A 123 ARG N . 36771 1
1049 . 1 . 1 105 105 ASP H H 1 7.767 0.003 . 1 . . . . A 124 ASP H . 36771 1
1050 . 1 . 1 105 105 ASP HA H 1 4.246 0.005 . 1 . . . . A 124 ASP HA . 36771 1
1051 . 1 . 1 105 105 ASP HB2 H 1 2.558 0.011 . 2 . . . . A 124 ASP HB2 . 36771 1
1052 . 1 . 1 105 105 ASP HB3 H 1 2.530 0.015 . 2 . . . . A 124 ASP HB3 . 36771 1
1053 . 1 . 1 105 105 ASP C C 13 178.569 0.002 . 1 . . . . A 124 ASP C . 36771 1
1054 . 1 . 1 105 105 ASP CA C 13 57.901 0.002 . 1 . . . . A 124 ASP CA . 36771 1
1055 . 1 . 1 105 105 ASP CB C 13 44.091 0.010 . 1 . . . . A 124 ASP CB . 36771 1
1056 . 1 . 1 105 105 ASP N N 15 119.282 0.014 . 1 . . . . A 124 ASP N . 36771 1
1057 . 1 . 1 106 106 ARG H H 1 7.890 0.004 . 1 . . . . A 125 ARG H . 36771 1
1058 . 1 . 1 106 106 ARG HA H 1 3.988 0.010 . 1 . . . . A 125 ARG HA . 36771 1
1059 . 1 . 1 106 106 ARG HB2 H 1 1.614 0.007 . 2 . . . . A 125 ARG HB2 . 36771 1
1060 . 1 . 1 106 106 ARG HB3 H 1 1.472 0.014 . 2 . . . . A 125 ARG HB3 . 36771 1
1061 . 1 . 1 106 106 ARG HG2 H 1 0.853 0.003 . 2 . . . . A 125 ARG HG2 . 36771 1
1062 . 1 . 1 106 106 ARG HG3 H 1 0.945 0.003 . 2 . . . . A 125 ARG HG3 . 36771 1
1063 . 1 . 1 106 106 ARG HD2 H 1 2.983 0.001 . 2 . . . . A 125 ARG HD2 . 36771 1
1064 . 1 . 1 106 106 ARG HD3 H 1 2.919 0.002 . 2 . . . . A 125 ARG HD3 . 36771 1
1065 . 1 . 1 106 106 ARG C C 13 178.735 0.002 . 1 . . . . A 125 ARG C . 36771 1
1066 . 1 . 1 106 106 ARG CA C 13 56.515 0.001 . 1 . . . . A 125 ARG CA . 36771 1
1067 . 1 . 1 106 106 ARG CB C 13 30.242 0.039 . 1 . . . . A 125 ARG CB . 36771 1
1068 . 1 . 1 106 106 ARG CG C 13 25.864 0.001 . 1 . . . . A 125 ARG CG . 36771 1
1069 . 1 . 1 106 106 ARG CD C 13 41.850 0.009 . 1 . . . . A 125 ARG CD . 36771 1
1070 . 1 . 1 106 106 ARG N N 15 115.990 0.019 . 1 . . . . A 125 ARG N . 36771 1
1071 . 1 . 1 107 107 ALA H H 1 8.245 0.005 . 1 . . . . A 126 ALA H . 36771 1
1072 . 1 . 1 107 107 ALA HA H 1 4.412 0.006 . 1 . . . . A 126 ALA HA . 36771 1
1073 . 1 . 1 107 107 ALA HB1 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB1 . 36771 1
1074 . 1 . 1 107 107 ALA HB2 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB2 . 36771 1
1075 . 1 . 1 107 107 ALA HB3 H 1 1.625 0.004 . 1 . . . . A 126 ALA HB3 . 36771 1
1076 . 1 . 1 107 107 ALA C C 13 178.816 0.002 . 1 . . . . A 126 ALA C . 36771 1
1077 . 1 . 1 107 107 ALA CA C 13 54.304 0.018 . 1 . . . . A 126 ALA CA . 36771 1
1078 . 1 . 1 107 107 ALA CB C 13 18.899 0.004 . 1 . . . . A 126 ALA CB . 36771 1
1079 . 1 . 1 107 107 ALA N N 15 121.045 0.043 . 1 . . . . A 126 ALA N . 36771 1
1080 . 1 . 1 108 108 GLN H H 1 7.916 0.009 . 1 . . . . A 127 GLN H . 36771 1
1081 . 1 . 1 108 108 GLN HA H 1 4.290 0.002 . 1 . . . . A 127 GLN HA . 36771 1
1082 . 1 . 1 108 108 GLN HB2 H 1 2.186 0.010 . 2 . . . . A 127 GLN HB2 . 36771 1
1083 . 1 . 1 108 108 GLN HB3 H 1 2.186 0.010 . 2 . . . . A 127 GLN HB3 . 36771 1
1084 . 1 . 1 108 108 GLN HG2 H 1 2.459 0.005 . 1 . . . . A 127 GLN HG2 . 36771 1
1085 . 1 . 1 108 108 GLN HG3 H 1 2.459 0.005 . 1 . . . . A 127 GLN HG3 . 36771 1
1086 . 1 . 1 108 108 GLN HE21 H 1 6.860 0.001 . 1 . . . . A 127 GLN HE21 . 36771 1
1087 . 1 . 1 108 108 GLN HE22 H 1 7.439 0.001 . 1 . . . . A 127 GLN HE22 . 36771 1
1088 . 1 . 1 108 108 GLN C C 13 178.749 0.002 . 1 . . . . A 127 GLN C . 36771 1
1089 . 1 . 1 108 108 GLN CA C 13 57.420 0.001 . 1 . . . . A 127 GLN CA . 36771 1
1090 . 1 . 1 108 108 GLN CB C 13 29.262 0.012 . 1 . . . . A 127 GLN CB . 36771 1
1091 . 1 . 1 108 108 GLN CG C 13 34.375 0.021 . 1 . . . . A 127 GLN CG . 36771 1
1092 . 1 . 1 108 108 GLN N N 15 117.071 0.012 . 1 . . . . A 127 GLN N . 36771 1
1093 . 1 . 1 108 108 GLN NE2 N 15 111.124 0.027 . 1 . . . . A 127 GLN NE2 . 36771 1
1094 . 1 . 1 109 109 GLY H H 1 8.150 0.001 . 1 . . . . A 128 GLY H . 36771 1
1095 . 1 . 1 109 109 GLY HA2 H 1 3.991 0.015 . 2 . . . . A 128 GLY HA2 . 36771 1
1096 . 1 . 1 109 109 GLY HA3 H 1 3.991 0.015 . 2 . . . . A 128 GLY HA3 . 36771 1
1097 . 1 . 1 109 109 GLY C C 13 177.707 0.002 . 1 . . . . A 128 GLY C . 36771 1
1098 . 1 . 1 109 109 GLY CA C 13 46.204 0.001 . 1 . . . . A 128 GLY CA . 36771 1
1099 . 1 . 1 109 109 GLY N N 15 108.021 0.011 . 1 . . . . A 128 GLY N . 36771 1
1100 . 1 . 1 110 110 ALA H H 1 7.911 0.007 . 1 . . . . A 129 ALA H . 36771 1
1101 . 1 . 1 110 110 ALA HA H 1 4.343 0.013 . 1 . . . . A 129 ALA HA . 36771 1
1102 . 1 . 1 110 110 ALA HB1 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB1 . 36771 1
1103 . 1 . 1 110 110 ALA HB2 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB2 . 36771 1
1104 . 1 . 1 110 110 ALA HB3 H 1 1.519 0.005 . 1 . . . . A 129 ALA HB3 . 36771 1
1105 . 1 . 1 110 110 ALA C C 13 175.086 0.002 . 1 . . . . A 129 ALA C . 36771 1
1106 . 1 . 1 110 110 ALA CA C 13 53.407 0.001 . 1 . . . . A 129 ALA CA . 36771 1
1107 . 1 . 1 110 110 ALA CB C 13 19.351 0.020 . 1 . . . . A 129 ALA CB . 36771 1
1108 . 1 . 1 110 110 ALA N N 15 123.414 0.009 . 1 . . . . A 129 ALA N . 36771 1
1109 . 1 . 1 111 111 ALA H H 1 7.995 0.001 . 1 . . . . A 130 ALA H . 36771 1
1110 . 1 . 1 111 111 ALA HA H 1 4.306 0.001 . 1 . . . . A 130 ALA HA . 36771 1
1111 . 1 . 1 111 111 ALA HB1 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB1 . 36771 1
1112 . 1 . 1 111 111 ALA HB2 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB2 . 36771 1
1113 . 1 . 1 111 111 ALA HB3 H 1 1.484 0.007 . 1 . . . . A 130 ALA HB3 . 36771 1
1114 . 1 . 1 111 111 ALA C C 13 178.452 0.002 . 1 . . . . A 130 ALA C . 36771 1
1115 . 1 . 1 111 111 ALA CA C 13 53.241 0.001 . 1 . . . . A 130 ALA CA . 36771 1
1116 . 1 . 1 111 111 ALA CB C 13 18.869 0.009 . 1 . . . . A 130 ALA CB . 36771 1
1117 . 1 . 1 111 111 ALA N N 15 121.670 0.002 . 1 . . . . A 130 ALA N . 36771 1
1118 . 1 . 1 112 112 LEU H H 1 8.005 0.002 . 1 . . . . A 131 LEU H . 36771 1
1119 . 1 . 1 112 112 LEU HA H 1 4.337 0.006 . 1 . . . . A 131 LEU HA . 36771 1
1120 . 1 . 1 112 112 LEU HB2 H 1 1.635 0.002 . 2 . . . . A 131 LEU HB2 . 36771 1
1121 . 1 . 1 112 112 LEU HB3 H 1 1.716 0.001 . 2 . . . . A 131 LEU HB3 . 36771 1
1122 . 1 . 1 112 112 LEU HG H 1 1.715 0.001 . 1 . . . . A 131 LEU HG . 36771 1
1123 . 1 . 1 112 112 LEU HD11 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD11 . 36771 1
1124 . 1 . 1 112 112 LEU HD12 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD12 . 36771 1
1125 . 1 . 1 112 112 LEU HD13 H 1 0.934 0.007 . 2 . . . . A 131 LEU HD13 . 36771 1
1126 . 1 . 1 112 112 LEU HD21 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD21 . 36771 1
1127 . 1 . 1 112 112 LEU HD22 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD22 . 36771 1
1128 . 1 . 1 112 112 LEU HD23 H 1 0.936 0.004 . 2 . . . . A 131 LEU HD23 . 36771 1
1129 . 1 . 1 112 112 LEU C C 13 176.247 0.002 . 1 . . . . A 131 LEU C . 36771 1
1130 . 1 . 1 112 112 LEU CA C 13 55.431 0.001 . 1 . . . . A 131 LEU CA . 36771 1
1131 . 1 . 1 112 112 LEU CB C 13 42.373 0.001 . 1 . . . . A 131 LEU CB . 36771 1
1132 . 1 . 1 112 112 LEU CG C 13 26.858 0.001 . 1 . . . . A 131 LEU CG . 36771 1
1133 . 1 . 1 112 112 LEU CD1 C 13 23.530 0.002 . 2 . . . . A 131 LEU CD1 . 36771 1
1134 . 1 . 1 112 112 LEU CD2 C 13 25.026 0.001 . 2 . . . . A 131 LEU CD2 . 36771 1
1135 . 1 . 1 112 112 LEU N N 15 120.074 0.030 . 1 . . . . A 131 LEU N . 36771 1
1136 . 1 . 1 113 113 ALA H H 1 8.078 0.001 . 1 . . . . A 132 ALA H . 36771 1
1137 . 1 . 1 113 113 ALA HA H 1 4.351 0.006 . 1 . . . . A 132 ALA HA . 36771 1
1138 . 1 . 1 113 113 ALA HB1 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB1 . 36771 1
1139 . 1 . 1 113 113 ALA HB2 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB2 . 36771 1
1140 . 1 . 1 113 113 ALA HB3 H 1 1.468 0.007 . 1 . . . . A 132 ALA HB3 . 36771 1
1141 . 1 . 1 113 113 ALA C C 13 177.670 0.002 . 1 . . . . A 132 ALA C . 36771 1
1142 . 1 . 1 113 113 ALA CA C 13 53.058 0.002 . 1 . . . . A 132 ALA CA . 36771 1
1143 . 1 . 1 113 113 ALA CB C 13 19.264 0.001 . 1 . . . . A 132 ALA CB . 36771 1
1144 . 1 . 1 113 113 ALA N N 15 123.650 0.001 . 1 . . . . A 132 ALA N . 36771 1
1145 . 1 . 1 114 114 GLY H H 1 8.298 0.001 . 1 . . . . A 133 GLY H . 36771 1
1146 . 1 . 1 114 114 GLY HA2 H 1 4.059 0.001 . 1 . . . . A 133 GLY HA2 . 36771 1
1147 . 1 . 1 114 114 GLY C C 13 178.462 0.002 . 1 . . . . A 133 GLY C . 36771 1
1148 . 1 . 1 114 114 GLY CA C 13 45.509 0.001 . 1 . . . . A 133 GLY CA . 36771 1
1149 . 1 . 1 114 114 GLY N N 15 107.491 0.020 . 1 . . . . A 133 GLY N . 36771 1
1150 . 1 . 1 115 115 THR H H 1 8.090 0.001 . 1 . . . . A 134 THR H . 36771 1
1151 . 1 . 1 115 115 THR HA H 1 4.403 0.001 . 1 . . . . A 134 THR HA . 36771 1
1152 . 1 . 1 115 115 THR HB H 1 4.322 0.001 . 1 . . . . A 134 THR HB . 36771 1
1153 . 1 . 1 115 115 THR HG21 H 1 1.228 0.001 . 1 . . . . A 134 THR HG21 . 36771 1
1154 . 1 . 1 115 115 THR HG22 H 1 1.228 0.001 . 1 . . . . A 134 THR HG22 . 36771 1
1155 . 1 . 1 115 115 THR HG23 H 1 1.228 0.001 . 1 . . . . A 134 THR HG23 . 36771 1
1156 . 1 . 1 115 115 THR C C 13 174.790 0.002 . 1 . . . . A 134 THR C . 36771 1
1157 . 1 . 1 115 115 THR CA C 13 61.697 0.014 . 1 . . . . A 134 THR CA . 36771 1
1158 . 1 . 1 115 115 THR CB C 13 69.947 0.001 . 1 . . . . A 134 THR CB . 36771 1
1159 . 1 . 1 115 115 THR CG2 C 13 21.639 0.001 . 1 . . . . A 134 THR CG2 . 36771 1
1160 . 1 . 1 115 115 THR N N 15 112.869 0.001 . 1 . . . . A 134 THR N . 36771 1
1161 . 1 . 1 116 116 ASN H H 1 8.146 0.002 . 1 . . . . A 135 ASN H . 36771 1
1162 . 1 . 1 116 116 ASN HA H 1 4.621 0.002 . 1 . . . . A 135 ASN HA . 36771 1
1163 . 1 . 1 116 116 ASN HB2 H 1 2.712 0.001 . 1 . . . . A 135 ASN HB2 . 36771 1
1164 . 1 . 1 116 116 ASN HD21 H 1 7.638 0.002 . 1 . . . . A 135 ASN HD21 . 36771 1
1165 . 1 . 1 116 116 ASN HD22 H 1 6.946 0.003 . 1 . . . . A 135 ASN HD22 . 36771 1
1166 . 1 . 1 116 116 ASN C C 13 173.759 0.002 . 1 . . . . A 135 ASN C . 36771 1
1167 . 1 . 1 116 116 ASN CA C 13 55.053 0.001 . 1 . . . . A 135 ASN CA . 36771 1
1168 . 1 . 1 116 116 ASN CB C 13 41.306 0.001 . 1 . . . . A 135 ASN CB . 36771 1
1169 . 1 . 1 116 116 ASN N N 15 126.031 0.039 . 1 . . . . A 135 ASN N . 36771 1
1170 . 1 . 1 116 116 ASN ND2 N 15 112.751 0.007 . 1 . . . . A 135 ASN ND2 . 36771 1
1171 . 1 . 1 117 117 GLY H H 1 8.444 0.001 . 1 . . . . A 136 GLY H . 36771 1
1172 . 1 . 1 117 117 GLY C C 13 175.787 0.002 . 1 . . . . A 136 GLY C . 36771 1
1173 . 1 . 1 117 117 GLY N N 15 109.133 0.018 . 1 . . . . A 136 GLY N . 36771 1
1174 . 2 . 2 1 1 HEC HAB H 1 -0.689 0.010 . 1 . . . . A 201 HEC HAB . 36771 1
1175 . 2 . 2 1 1 HEC HBB1 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB1 . 36771 1
1176 . 2 . 2 1 1 HEC HBB2 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB2 . 36771 1
1177 . 2 . 2 1 1 HEC HBB3 H 1 -1.911 0.003 . 1 . . . . A 201 HEC HBB3 . 36771 1
1178 . 2 . 2 1 1 HEC HBD1 H 1 1.198 0.002 . 1 . . . . A 201 HEC HBD1 . 36771 1
1179 . 2 . 2 1 1 HEC HMB1 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB1 . 36771 1
1180 . 2 . 2 1 1 HEC HMB2 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB2 . 36771 1
1181 . 2 . 2 1 1 HEC HMB3 H 1 13.229 0.002 . 1 . . . . A 201 HEC HMB3 . 36771 1
1182 . 2 . 2 1 1 HEC HMD1 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD1 . 36771 1
1183 . 2 . 2 1 1 HEC HMD2 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD2 . 36771 1
1184 . 2 . 2 1 1 HEC HMD3 H 1 10.618 0.001 . 1 . . . . A 201 HEC HMD3 . 36771 1
stop_
save_