Content for NMR-STAR saveframe, "CSS_1"
save_CSS_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode CSS_1
_Assigned_chem_shift_list.Entry_ID 5650
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 15N-HSQC' . . . 5650 1
2 '3D 15N-DIPSI-HSQC' . . . 5650 1
3 '3D 15N-NOESY-HSQC' . . . 5650 1
4 '3D CBCANH' . . . 5650 1
5 CBCA(CO)NH . . . 5650 1
6 HNCO . . . 5650 1
7 HNCA . . . 5650 1
8 HN(CO)CA . . . 5650 1
9 '3D C(CO)NH' . . . 5650 1
10 HC(CO)NH . . . 5650 1
11 HCCH-COSY . . . 5650 1
12 HCCH-TOCSY . . . 5650 1
13 '3D 13C-edited NOESY' . . . 5650 1
14 '2D DQF-COSY' . . . 5650 1
15 clean-TOCSY . . . 5650 1
16 NOESY . . . 5650 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 MET CA C 13 53.028 0.050 . 1 . . . . . . . . 5650 1
2 . 1 1 1 1 MET HA H 1 4.185 0.005 . 1 . . . . . . . . 5650 1
3 . 1 1 1 1 MET C C 13 180.016 0.050 . 1 . . . . . . . . 5650 1
4 . 1 1 1 1 MET CB C 13 30.926 0.050 . 1 . . . . . . . . 5650 1
5 . 1 1 1 1 MET CG C 13 28.711 0.050 . 1 . . . . . . . . 5650 1
6 . 1 1 1 1 MET HB2 H 1 2.193 0.005 . 1 . . . . . . . . 5650 1
7 . 1 1 1 1 MET HB3 H 1 2.193 0.005 . 1 . . . . . . . . 5650 1
8 . 1 1 1 1 MET HG2 H 1 2.596 0.005 . 1 . . . . . . . . 5650 1
9 . 1 1 1 1 MET HG3 H 1 2.596 0.005 . 1 . . . . . . . . 5650 1
10 . 1 1 2 2 LYS N N 15 124.455 0.050 . 1 . . . . . . . . 5650 1
11 . 1 1 2 2 LYS H H 1 8.819 0.005 . 1 . . . . . . . . 5650 1
12 . 1 1 2 2 LYS CA C 13 54.400 0.050 . 1 . . . . . . . . 5650 1
13 . 1 1 2 2 LYS HA H 1 4.520 0.005 . 1 . . . . . . . . 5650 1
14 . 1 1 2 2 LYS C C 13 175.902 0.050 . 1 . . . . . . . . 5650 1
15 . 1 1 2 2 LYS CB C 13 31.295 0.050 . 1 . . . . . . . . 5650 1
16 . 1 1 2 2 LYS HB2 H 1 1.767 0.005 . 2 . . . . . . . . 5650 1
17 . 1 1 2 2 LYS HB3 H 1 1.845 0.005 . 2 . . . . . . . . 5650 1
18 . 1 1 2 2 LYS CG C 13 22.737 0.050 . 1 . . . . . . . . 5650 1
19 . 1 1 2 2 LYS HG2 H 1 1.435 0.005 . 2 . . . . . . . . 5650 1
20 . 1 1 2 2 LYS HG3 H 1 1.505 0.005 . 2 . . . . . . . . 5650 1
21 . 1 1 2 2 LYS CD C 13 27.053 0.050 . 1 . . . . . . . . 5650 1
22 . 1 1 2 2 LYS CE C 13 39.883 0.050 . 1 . . . . . . . . 5650 1
23 . 1 1 2 2 LYS HD3 H 1 1.638 0.005 . 1 . . . . . . . . 5650 1
24 . 1 1 2 2 LYS HE3 H 1 2.937 0.005 . 1 . . . . . . . . 5650 1
25 . 1 1 2 2 LYS HD2 H 1 1.638 0.005 . 1 . . . . . . . . 5650 1
26 . 1 1 2 2 LYS HE2 H 1 2.937 0.005 . 1 . . . . . . . . 5650 1
27 . 1 1 3 3 THR N N 15 114.534 0.050 . 1 . . . . . . . . 5650 1
28 . 1 1 3 3 THR H H 1 8.467 0.005 . 1 . . . . . . . . 5650 1
29 . 1 1 3 3 THR CA C 13 58.848 0.050 . 1 . . . . . . . . 5650 1
30 . 1 1 3 3 THR HA H 1 4.447 0.005 . 1 . . . . . . . . 5650 1
31 . 1 1 3 3 THR C C 13 177.297 0.050 . 1 . . . . . . . . 5650 1
32 . 1 1 3 3 THR CB C 13 68.692 0.050 . 1 . . . . . . . . 5650 1
33 . 1 1 3 3 THR HB H 1 4.244 0.005 . 1 . . . . . . . . 5650 1
34 . 1 1 3 3 THR CG2 C 13 19.485 0.050 . 1 . . . . . . . . 5650 1
35 . 1 1 3 3 THR HG21 H 1 1.191 0.005 . 1 . . . . . . . . 5650 1
36 . 1 1 3 3 THR HG22 H 1 1.191 0.005 . 1 . . . . . . . . 5650 1
37 . 1 1 3 3 THR HG23 H 1 1.191 0.005 . 1 . . . . . . . . 5650 1
38 . 1 1 4 4 ALA N N 15 123.963 0.050 . 1 . . . . . . . . 5650 1
39 . 1 1 4 4 ALA H H 1 8.449 0.005 . 1 . . . . . . . . 5650 1
40 . 1 1 4 4 ALA CA C 13 51.700 0.050 . 1 . . . . . . . . 5650 1
41 . 1 1 4 4 ALA HA H 1 4.133 0.005 . 1 . . . . . . . . 5650 1
42 . 1 1 4 4 ALA C C 13 174.508 0.050 . 1 . . . . . . . . 5650 1
43 . 1 1 4 4 ALA CB C 13 16.851 0.050 . 1 . . . . . . . . 5650 1
44 . 1 1 4 4 ALA HB1 H 1 1.229 0.005 . 1 . . . . . . . . 5650 1
45 . 1 1 4 4 ALA HB2 H 1 1.229 0.005 . 1 . . . . . . . . 5650 1
46 . 1 1 4 4 ALA HB3 H 1 1.229 0.005 . 1 . . . . . . . . 5650 1
47 . 1 1 5 5 TYR N N 15 115.624 0.050 . 1 . . . . . . . . 5650 1
48 . 1 1 5 5 TYR H H 1 7.470 0.005 . 1 . . . . . . . . 5650 1
49 . 1 1 5 5 TYR CA C 13 55.163 0.050 . 1 . . . . . . . . 5650 1
50 . 1 1 5 5 TYR HA H 1 4.700 0.005 . 1 . . . . . . . . 5650 1
51 . 1 1 5 5 TYR C C 13 176.978 0.050 . 1 . . . . . . . . 5650 1
52 . 1 1 5 5 TYR CB C 13 35.993 0.050 . 1 . . . . . . . . 5650 1
53 . 1 1 5 5 TYR HB2 H 1 2.656 0.005 . 2 . . . . . . . . 5650 1
54 . 1 1 5 5 TYR HB3 H 1 3.059 0.005 . 2 . . . . . . . . 5650 1
55 . 1 1 5 5 TYR HD1 H 1 6.892 0.005 . 1 . . . . . . . . 5650 1
56 . 1 1 5 5 TYR HE1 H 1 6.585 0.005 . 1 . . . . . . . . 5650 1
57 . 1 1 5 5 TYR HD2 H 1 6.892 0.005 . 1 . . . . . . . . 5650 1
58 . 1 1 5 5 TYR HE2 H 1 6.585 0.005 . 1 . . . . . . . . 5650 1
59 . 1 1 6 6 ASP N N 15 118.532 0.050 . 1 . . . . . . . . 5650 1
60 . 1 1 6 6 ASP H H 1 7.919 0.005 . 1 . . . . . . . . 5650 1
61 . 1 1 6 6 ASP CA C 13 52.732 0.050 . 1 . . . . . . . . 5650 1
62 . 1 1 6 6 ASP HA H 1 4.660 0.005 . 1 . . . . . . . . 5650 1
63 . 1 1 6 6 ASP C C 13 176.566 0.050 . 1 . . . . . . . . 5650 1
64 . 1 1 6 6 ASP CB C 13 39.027 0.050 . 1 . . . . . . . . 5650 1
65 . 1 1 6 6 ASP HB2 H 1 2.713 0.005 . 1 . . . . . . . . 5650 1
66 . 1 1 6 6 ASP HB3 H 1 2.713 0.005 . 1 . . . . . . . . 5650 1
67 . 1 1 7 7 VAL N N 15 117.686 0.050 . 1 . . . . . . . . 5650 1
68 . 1 1 7 7 VAL H H 1 7.652 0.005 . 1 . . . . . . . . 5650 1
69 . 1 1 7 7 VAL CA C 13 63.165 0.050 . 1 . . . . . . . . 5650 1
70 . 1 1 7 7 VAL HA H 1 3.873 0.005 . 1 . . . . . . . . 5650 1
71 . 1 1 7 7 VAL C C 13 176.866 0.050 . 1 . . . . . . . . 5650 1
72 . 1 1 7 7 VAL CB C 13 31.308 0.050 . 1 . . . . . . . . 5650 1
73 . 1 1 7 7 VAL HB H 1 1.913 0.005 . 1 . . . . . . . . 5650 1
74 . 1 1 7 7 VAL CG1 C 13 19.855 0.050 . 2 . . . . . . . . 5650 1
75 . 1 1 7 7 VAL HG11 H 1 0.817 0.005 . 2 . . . . . . . . 5650 1
76 . 1 1 7 7 VAL HG12 H 1 0.817 0.005 . 2 . . . . . . . . 5650 1
77 . 1 1 7 7 VAL HG13 H 1 0.817 0.005 . 2 . . . . . . . . 5650 1
78 . 1 1 7 7 VAL CG2 C 13 20.022 0.050 . 2 . . . . . . . . 5650 1
79 . 1 1 7 7 VAL HG21 H 1 0.914 0.005 . 2 . . . . . . . . 5650 1
80 . 1 1 7 7 VAL HG22 H 1 0.914 0.005 . 2 . . . . . . . . 5650 1
81 . 1 1 7 7 VAL HG23 H 1 0.914 0.005 . 2 . . . . . . . . 5650 1
82 . 1 1 8 8 ILE N N 15 116.966 0.050 . 1 . . . . . . . . 5650 1
83 . 1 1 8 8 ILE H H 1 8.189 0.005 . 1 . . . . . . . . 5650 1
84 . 1 1 8 8 ILE CA C 13 58.460 0.050 . 1 . . . . . . . . 5650 1
85 . 1 1 8 8 ILE HA H 1 4.111 0.005 . 1 . . . . . . . . 5650 1
86 . 1 1 8 8 ILE C C 13 177.389 0.050 . 1 . . . . . . . . 5650 1
87 . 1 1 8 8 ILE CB C 13 35.297 0.050 . 1 . . . . . . . . 5650 1
88 . 1 1 8 8 ILE HB H 1 1.897 0.005 . 1 . . . . . . . . 5650 1
89 . 1 1 8 8 ILE CG1 C 13 24.630 0.050 . 1 . . . . . . . . 5650 1
90 . 1 1 8 8 ILE HG12 H 1 0.820 0.005 . 2 . . . . . . . . 5650 1
91 . 1 1 8 8 ILE HG13 H 1 1.354 0.005 . 2 . . . . . . . . 5650 1
92 . 1 1 8 8 ILE CG2 C 13 16.190 0.050 . 1 . . . . . . . . 5650 1
93 . 1 1 8 8 ILE HG21 H 1 0.732 0.005 . 1 . . . . . . . . 5650 1
94 . 1 1 8 8 ILE HG22 H 1 0.732 0.005 . 1 . . . . . . . . 5650 1
95 . 1 1 8 8 ILE HG23 H 1 0.732 0.005 . 1 . . . . . . . . 5650 1
96 . 1 1 8 8 ILE CD1 C 13 10.262 0.050 . 1 . . . . . . . . 5650 1
97 . 1 1 8 8 ILE HD11 H 1 0.375 0.005 . 1 . . . . . . . . 5650 1
98 . 1 1 8 8 ILE HD12 H 1 0.375 0.005 . 1 . . . . . . . . 5650 1
99 . 1 1 8 8 ILE HD13 H 1 0.375 0.005 . 1 . . . . . . . . 5650 1
100 . 1 1 9 9 LEU N N 15 126.055 0.050 . 1 . . . . . . . . 5650 1
101 . 1 1 9 9 LEU H H 1 8.842 0.005 . 1 . . . . . . . . 5650 1
102 . 1 1 9 9 LEU CA C 13 54.353 0.050 . 1 . . . . . . . . 5650 1
103 . 1 1 9 9 LEU HA H 1 4.580 0.005 . 1 . . . . . . . . 5650 1
104 . 1 1 9 9 LEU CB C 13 40.134 0.050 . 1 . . . . . . . . 5650 1
105 . 1 1 9 9 LEU HB2 H 1 1.594 0.005 . 2 . . . . . . . . 5650 1
106 . 1 1 9 9 LEU HB3 H 1 1.713 0.005 . 2 . . . . . . . . 5650 1
107 . 1 1 9 9 LEU CG C 13 25.585 0.050 . 1 . . . . . . . . 5650 1
108 . 1 1 9 9 LEU HG H 1 1.651 0.005 . 1 . . . . . . . . 5650 1
109 . 1 1 9 9 LEU CD1 C 13 20.609 0.050 . 1 . . . . . . . . 5650 1
110 . 1 1 9 9 LEU HD11 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
111 . 1 1 9 9 LEU HD12 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
112 . 1 1 9 9 LEU HD13 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
113 . 1 1 9 9 LEU CD2 C 13 20.609 0.050 . 1 . . . . . . . . 5650 1
114 . 1 1 9 9 LEU HD21 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
115 . 1 1 9 9 LEU HD22 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
116 . 1 1 9 9 LEU HD23 H 1 0.899 0.005 . 1 . . . . . . . . 5650 1
117 . 1 1 10 10 ALA H H 1 7.837 0.005 . 1 . . . . . . . . 5650 1
118 . 1 1 10 10 ALA CA C 13 49.346 0.050 . 1 . . . . . . . . 5650 1
119 . 1 1 10 10 ALA HA H 1 5.087 0.005 . 1 . . . . . . . . 5650 1
120 . 1 1 10 10 ALA CB C 13 19.121 0.050 . 1 . . . . . . . . 5650 1
121 . 1 1 10 10 ALA HB1 H 1 1.786 0.005 . 1 . . . . . . . . 5650 1
122 . 1 1 10 10 ALA HB2 H 1 1.786 0.005 . 1 . . . . . . . . 5650 1
123 . 1 1 10 10 ALA HB3 H 1 1.786 0.005 . 1 . . . . . . . . 5650 1
124 . 1 1 11 11 PRO CA C 13 60.529 0.050 . 1 . . . . . . . . 5650 1
125 . 1 1 11 11 PRO HA H 1 4.840 0.005 . 1 . . . . . . . . 5650 1
126 . 1 1 11 11 PRO C C 13 177.438 0.050 . 1 . . . . . . . . 5650 1
127 . 1 1 11 11 PRO CB C 13 29.966 0.050 . 1 . . . . . . . . 5650 1
128 . 1 1 11 11 PRO HB2 H 1 1.877 0.005 . 2 . . . . . . . . 5650 1
129 . 1 1 11 11 PRO HB3 H 1 2.181 0.005 . 2 . . . . . . . . 5650 1
130 . 1 1 11 11 PRO CG C 13 25.417 0.050 . 1 . . . . . . . . 5650 1
131 . 1 1 11 11 PRO HG2 H 1 2.252 0.005 . 2 . . . . . . . . 5650 1
132 . 1 1 11 11 PRO HG3 H 1 2.437 0.005 . 2 . . . . . . . . 5650 1
133 . 1 1 11 11 PRO CD C 13 48.503 0.050 . 1 . . . . . . . . 5650 1
134 . 1 1 11 11 PRO HD2 H 1 4.021 0.005 . 2 . . . . . . . . 5650 1
135 . 1 1 11 11 PRO HD3 H 1 4.287 0.005 . 2 . . . . . . . . 5650 1
136 . 1 1 12 12 VAL N N 15 121.817 0.050 . 1 . . . . . . . . 5650 1
137 . 1 1 12 12 VAL H H 1 7.731 0.005 . 1 . . . . . . . . 5650 1
138 . 1 1 12 12 VAL CA C 13 60.558 0.050 . 1 . . . . . . . . 5650 1
139 . 1 1 12 12 VAL HA H 1 3.979 0.005 . 1 . . . . . . . . 5650 1
140 . 1 1 12 12 VAL C C 13 177.564 0.050 . 1 . . . . . . . . 5650 1
141 . 1 1 12 12 VAL CB C 13 29.032 0.050 . 1 . . . . . . . . 5650 1
142 . 1 1 12 12 VAL HB H 1 1.411 0.005 . 1 . . . . . . . . 5650 1
143 . 1 1 12 12 VAL CG1 C 13 18.363 0.050 . 2 . . . . . . . . 5650 1
144 . 1 1 12 12 VAL HG11 H 1 -0.078 0.005 . 2 . . . . . . . . 5650 1
145 . 1 1 12 12 VAL HG12 H 1 -0.078 0.005 . 2 . . . . . . . . 5650 1
146 . 1 1 12 12 VAL HG13 H 1 -0.078 0.005 . 2 . . . . . . . . 5650 1
147 . 1 1 12 12 VAL CG2 C 13 19.016 0.050 . 2 . . . . . . . . 5650 1
148 . 1 1 12 12 VAL HG21 H 1 0.755 0.005 . 2 . . . . . . . . 5650 1
149 . 1 1 12 12 VAL HG22 H 1 0.755 0.005 . 2 . . . . . . . . 5650 1
150 . 1 1 12 12 VAL HG23 H 1 0.755 0.005 . 2 . . . . . . . . 5650 1
151 . 1 1 13 13 LEU N N 15 127.792 0.050 . 1 . . . . . . . . 5650 1
152 . 1 1 13 13 LEU H H 1 8.465 0.005 . 1 . . . . . . . . 5650 1
153 . 1 1 13 13 LEU CA C 13 51.106 0.050 . 1 . . . . . . . . 5650 1
154 . 1 1 13 13 LEU HA H 1 4.681 0.005 . 1 . . . . . . . . 5650 1
155 . 1 1 13 13 LEU C C 13 176.690 0.050 . 1 . . . . . . . . 5650 1
156 . 1 1 13 13 LEU CB C 13 38.542 0.050 . 1 . . . . . . . . 5650 1
157 . 1 1 13 13 LEU HB2 H 1 1.696 0.005 . 2 . . . . . . . . 5650 1
158 . 1 1 13 13 LEU HB3 H 1 1.851 0.005 . 2 . . . . . . . . 5650 1
159 . 1 1 13 13 LEU CG C 13 24.623 0.050 . 1 . . . . . . . . 5650 1
160 . 1 1 13 13 LEU HG H 1 1.709 0.005 . 1 . . . . . . . . 5650 1
161 . 1 1 13 13 LEU CD1 C 13 21.197 0.050 . 2 . . . . . . . . 5650 1
162 . 1 1 13 13 LEU HD11 H 1 1.000 0.005 . 2 . . . . . . . . 5650 1
163 . 1 1 13 13 LEU HD12 H 1 1.000 0.005 . 2 . . . . . . . . 5650 1
164 . 1 1 13 13 LEU HD13 H 1 1.000 0.005 . 2 . . . . . . . . 5650 1
165 . 1 1 13 13 LEU CD2 C 13 23.955 0.050 . 2 . . . . . . . . 5650 1
166 . 1 1 13 13 LEU HD21 H 1 1.085 0.005 . 2 . . . . . . . . 5650 1
167 . 1 1 13 13 LEU HD22 H 1 1.085 0.005 . 2 . . . . . . . . 5650 1
168 . 1 1 13 13 LEU HD23 H 1 1.085 0.005 . 2 . . . . . . . . 5650 1
169 . 1 1 14 14 SER N N 15 115.050 0.050 . 1 . . . . . . . . 5650 1
170 . 1 1 14 14 SER H H 1 6.870 0.005 . 1 . . . . . . . . 5650 1
171 . 1 1 14 14 SER CA C 13 54.092 0.050 . 1 . . . . . . . . 5650 1
172 . 1 1 14 14 SER HA H 1 4.596 0.005 . 1 . . . . . . . . 5650 1
173 . 1 1 14 14 SER C C 13 178.668 0.050 . 1 . . . . . . . . 5650 1
174 . 1 1 14 14 SER CB C 13 63.436 0.050 . 1 . . . . . . . . 5650 1
175 . 1 1 14 14 SER HB2 H 1 3.869 0.005 . 2 . . . . . . . . 5650 1
176 . 1 1 14 14 SER HB3 H 1 4.211 0.005 . 2 . . . . . . . . 5650 1
177 . 1 1 15 15 GLU N N 15 121.318 0.050 . 1 . . . . . . . . 5650 1
178 . 1 1 15 15 GLU H H 1 8.941 0.005 . 1 . . . . . . . . 5650 1
179 . 1 1 15 15 GLU CA C 13 57.544 0.050 . 1 . . . . . . . . 5650 1
180 . 1 1 15 15 GLU HA H 1 3.898 0.005 . 1 . . . . . . . . 5650 1
181 . 1 1 15 15 GLU C C 13 173.629 0.050 . 1 . . . . . . . . 5650 1
182 . 1 1 15 15 GLU CB C 13 26.846 0.050 . 1 . . . . . . . . 5650 1
183 . 1 1 15 15 GLU CG C 13 33.796 0.050 . 1 . . . . . . . . 5650 1
184 . 1 1 15 15 GLU HG2 H 1 2.345 0.005 . 2 . . . . . . . . 5650 1
185 . 1 1 15 15 GLU HG3 H 1 2.406 0.005 . 2 . . . . . . . . 5650 1
186 . 1 1 15 15 GLU HB2 H 1 2.067 0.005 . 1 . . . . . . . . 5650 1
187 . 1 1 15 15 GLU HB3 H 1 2.067 0.005 . 1 . . . . . . . . 5650 1
188 . 1 1 16 16 LYS N N 15 118.370 0.050 . 1 . . . . . . . . 5650 1
189 . 1 1 16 16 LYS H H 1 8.163 0.005 . 1 . . . . . . . . 5650 1
190 . 1 1 16 16 LYS CA C 13 56.420 0.050 . 1 . . . . . . . . 5650 1
191 . 1 1 16 16 LYS HA H 1 4.015 0.005 . 1 . . . . . . . . 5650 1
192 . 1 1 16 16 LYS C C 13 173.617 0.050 . 1 . . . . . . . . 5650 1
193 . 1 1 16 16 LYS CB C 13 30.012 0.050 . 1 . . . . . . . . 5650 1
194 . 1 1 16 16 LYS HB2 H 1 1.687 0.005 . 2 . . . . . . . . 5650 1
195 . 1 1 16 16 LYS HB3 H 1 1.737 0.005 . 2 . . . . . . . . 5650 1
196 . 1 1 16 16 LYS CG C 13 22.894 0.050 . 1 . . . . . . . . 5650 1
197 . 1 1 16 16 LYS HG2 H 1 1.361 0.005 . 2 . . . . . . . . 5650 1
198 . 1 1 16 16 LYS HG3 H 1 1.453 0.005 . 2 . . . . . . . . 5650 1
199 . 1 1 16 16 LYS CD C 13 26.741 0.050 . 1 . . . . . . . . 5650 1
200 . 1 1 16 16 LYS CE C 13 39.966 0.050 . 1 . . . . . . . . 5650 1
201 . 1 1 16 16 LYS HD3 H 1 1.703 0.005 . 1 . . . . . . . . 5650 1
202 . 1 1 16 16 LYS HE3 H 1 2.988 0.005 . 1 . . . . . . . . 5650 1
203 . 1 1 16 16 LYS HD2 H 1 1.703 0.005 . 1 . . . . . . . . 5650 1
204 . 1 1 16 16 LYS HE2 H 1 2.988 0.005 . 1 . . . . . . . . 5650 1
205 . 1 1 17 17 ALA N N 15 122.035 0.050 . 1 . . . . . . . . 5650 1
206 . 1 1 17 17 ALA H H 1 7.661 0.005 . 1 . . . . . . . . 5650 1
207 . 1 1 17 17 ALA CA C 13 52.308 0.050 . 1 . . . . . . . . 5650 1
208 . 1 1 17 17 ALA HA H 1 3.974 0.005 . 1 . . . . . . . . 5650 1
209 . 1 1 17 17 ALA C C 13 171.839 0.050 . 1 . . . . . . . . 5650 1
210 . 1 1 17 17 ALA CB C 13 16.286 0.050 . 1 . . . . . . . . 5650 1
211 . 1 1 17 17 ALA HB1 H 1 1.288 0.005 . 1 . . . . . . . . 5650 1
212 . 1 1 17 17 ALA HB2 H 1 1.288 0.005 . 1 . . . . . . . . 5650 1
213 . 1 1 17 17 ALA HB3 H 1 1.288 0.005 . 1 . . . . . . . . 5650 1
214 . 1 1 18 18 TYR N N 15 118.066 0.050 . 1 . . . . . . . . 5650 1
215 . 1 1 18 18 TYR H H 1 8.160 0.005 . 1 . . . . . . . . 5650 1
216 . 1 1 18 18 TYR CA C 13 56.303 0.050 . 1 . . . . . . . . 5650 1
217 . 1 1 18 18 TYR HA H 1 3.101 0.005 . 1 . . . . . . . . 5650 1
218 . 1 1 18 18 TYR C C 13 174.108 0.050 . 1 . . . . . . . . 5650 1
219 . 1 1 18 18 TYR CB C 13 35.203 0.050 . 1 . . . . . . . . 5650 1
220 . 1 1 18 18 TYR HB2 H 1 2.841 0.005 . 1 . . . . . . . . 5650 1
221 . 1 1 18 18 TYR HD1 H 1 6.829 0.005 . 1 . . . . . . . . 5650 1
222 . 1 1 18 18 TYR HE1 H 1 7.215 0.005 . 1 . . . . . . . . 5650 1
223 . 1 1 18 18 TYR HB3 H 1 2.841 0.005 . 1 . . . . . . . . 5650 1
224 . 1 1 18 18 TYR HD2 H 1 6.829 0.005 . 1 . . . . . . . . 5650 1
225 . 1 1 18 18 TYR HE2 H 1 7.215 0.005 . 1 . . . . . . . . 5650 1
226 . 1 1 19 19 ALA N N 15 120.965 0.050 . 1 . . . . . . . . 5650 1
227 . 1 1 19 19 ALA H H 1 7.519 0.005 . 1 . . . . . . . . 5650 1
228 . 1 1 19 19 ALA CA C 13 52.215 0.050 . 1 . . . . . . . . 5650 1
229 . 1 1 19 19 ALA HA H 1 4.049 0.005 . 1 . . . . . . . . 5650 1
230 . 1 1 19 19 ALA C C 13 172.756 0.050 . 1 . . . . . . . . 5650 1
231 . 1 1 19 19 ALA CB C 13 15.881 0.050 . 1 . . . . . . . . 5650 1
232 . 1 1 19 19 ALA HB1 H 1 1.435 0.005 . 1 . . . . . . . . 5650 1
233 . 1 1 19 19 ALA HB2 H 1 1.435 0.005 . 1 . . . . . . . . 5650 1
234 . 1 1 19 19 ALA HB3 H 1 1.435 0.005 . 1 . . . . . . . . 5650 1
235 . 1 1 20 20 GLY N N 15 103.206 0.050 . 1 . . . . . . . . 5650 1
236 . 1 1 20 20 GLY H H 1 7.512 0.005 . 1 . . . . . . . . 5650 1
237 . 1 1 20 20 GLY CA C 13 44.268 0.050 . 1 . . . . . . . . 5650 1
238 . 1 1 20 20 GLY HA2 H 1 3.742 0.005 . 1 . . . . . . . . 5650 1
239 . 1 1 20 20 GLY HA3 H 1 4.023 0.005 . 1 . . . . . . . . 5650 1
240 . 1 1 20 20 GLY C C 13 175.974 0.050 . 1 . . . . . . . . 5650 1
241 . 1 1 21 21 PHE N N 15 122.045 0.050 . 1 . . . . . . . . 5650 1
242 . 1 1 21 21 PHE H H 1 7.791 0.005 . 1 . . . . . . . . 5650 1
243 . 1 1 21 21 PHE CA C 13 56.067 0.050 . 1 . . . . . . . . 5650 1
244 . 1 1 21 21 PHE HA H 1 3.855 0.005 . 1 . . . . . . . . 5650 1
245 . 1 1 21 21 PHE C C 13 172.786 0.050 . 1 . . . . . . . . 5650 1
246 . 1 1 21 21 PHE CB C 13 34.161 0.050 . 1 . . . . . . . . 5650 1
247 . 1 1 21 21 PHE HB2 H 1 3.166 0.005 . 2 . . . . . . . . 5650 1
248 . 1 1 21 21 PHE HB3 H 1 3.299 0.005 . 2 . . . . . . . . 5650 1
249 . 1 1 21 21 PHE HD1 H 1 7.109 0.005 . 1 . . . . . . . . 5650 1
250 . 1 1 21 21 PHE HE1 H 1 7.406 0.005 . 1 . . . . . . . . 5650 1
251 . 1 1 21 21 PHE HD2 H 1 7.109 0.005 . 1 . . . . . . . . 5650 1
252 . 1 1 21 21 PHE HE2 H 1 7.406 0.005 . 1 . . . . . . . . 5650 1
253 . 1 1 22 22 ALA N N 15 120.496 0.050 . 1 . . . . . . . . 5650 1
254 . 1 1 22 22 ALA H H 1 7.846 0.005 . 1 . . . . . . . . 5650 1
255 . 1 1 22 22 ALA CA C 13 52.306 0.050 . 1 . . . . . . . . 5650 1
256 . 1 1 22 22 ALA HA H 1 4.209 0.005 . 1 . . . . . . . . 5650 1
257 . 1 1 22 22 ALA C C 13 173.606 0.050 . 1 . . . . . . . . 5650 1
258 . 1 1 22 22 ALA CB C 13 16.446 0.050 . 1 . . . . . . . . 5650 1
259 . 1 1 22 22 ALA HB1 H 1 1.510 0.005 . 1 . . . . . . . . 5650 1
260 . 1 1 22 22 ALA HB2 H 1 1.510 0.005 . 1 . . . . . . . . 5650 1
261 . 1 1 22 22 ALA HB3 H 1 1.510 0.005 . 1 . . . . . . . . 5650 1
262 . 1 1 23 23 GLU N N 15 114.703 0.050 . 1 . . . . . . . . 5650 1
263 . 1 1 23 23 GLU H H 1 7.616 0.005 . 1 . . . . . . . . 5650 1
264 . 1 1 23 23 GLU CA C 13 52.715 0.050 . 1 . . . . . . . . 5650 1
265 . 1 1 23 23 GLU HA H 1 4.563 0.005 . 1 . . . . . . . . 5650 1
266 . 1 1 23 23 GLU C C 13 175.922 0.050 . 1 . . . . . . . . 5650 1
267 . 1 1 23 23 GLU CB C 13 28.259 0.050 . 1 . . . . . . . . 5650 1
268 . 1 1 23 23 GLU HB2 H 1 2.004 0.005 . 2 . . . . . . . . 5650 1
269 . 1 1 23 23 GLU HB3 H 1 2.323 0.005 . 2 . . . . . . . . 5650 1
270 . 1 1 23 23 GLU CG C 13 33.670 0.050 . 1 . . . . . . . . 5650 1
271 . 1 1 23 23 GLU HG2 H 1 2.290 0.005 . 2 . . . . . . . . 5650 1
272 . 1 1 23 23 GLU HG3 H 1 2.338 0.005 . 2 . . . . . . . . 5650 1
273 . 1 1 24 24 GLY N N 15 109.307 0.050 . 1 . . . . . . . . 5650 1
274 . 1 1 24 24 GLY H H 1 8.108 0.005 . 1 . . . . . . . . 5650 1
275 . 1 1 24 24 GLY CA C 13 44.447 0.050 . 1 . . . . . . . . 5650 1
276 . 1 1 24 24 GLY HA2 H 1 3.824 0.005 . 1 . . . . . . . . 5650 1
277 . 1 1 24 24 GLY HA3 H 1 4.252 0.005 . 1 . . . . . . . . 5650 1
278 . 1 1 24 24 GLY C C 13 179.788 0.050 . 1 . . . . . . . . 5650 1
279 . 1 1 25 25 LYS N N 15 117.804 0.050 . 1 . . . . . . . . 5650 1
280 . 1 1 25 25 LYS H H 1 7.464 0.005 . 1 . . . . . . . . 5650 1
281 . 1 1 25 25 LYS CA C 13 52.638 0.050 . 1 . . . . . . . . 5650 1
282 . 1 1 25 25 LYS HA H 1 5.077 0.005 . 1 . . . . . . . . 5650 1
283 . 1 1 25 25 LYS C C 13 177.011 0.050 . 1 . . . . . . . . 5650 1
284 . 1 1 25 25 LYS CB C 13 32.042 0.050 . 1 . . . . . . . . 5650 1
285 . 1 1 25 25 LYS HB2 H 1 1.322 0.005 . 2 . . . . . . . . 5650 1
286 . 1 1 25 25 LYS HB3 H 1 1.503 0.005 . 2 . . . . . . . . 5650 1
287 . 1 1 25 25 LYS CG C 13 23.324 0.050 . 1 . . . . . . . . 5650 1
288 . 1 1 25 25 LYS HG2 H 1 1.008 0.005 . 2 . . . . . . . . 5650 1
289 . 1 1 25 25 LYS HG3 H 1 1.274 0.005 . 2 . . . . . . . . 5650 1
290 . 1 1 25 25 LYS CD C 13 27.698 0.050 . 1 . . . . . . . . 5650 1
291 . 1 1 25 25 LYS HD2 H 1 1.538 0.005 . 2 . . . . . . . . 5650 1
292 . 1 1 25 25 LYS HD3 H 1 1.586 0.005 . 2 . . . . . . . . 5650 1
293 . 1 1 25 25 LYS CE C 13 40.132 0.050 . 1 . . . . . . . . 5650 1
294 . 1 1 25 25 LYS HE3 H 1 2.888 0.005 . 1 . . . . . . . . 5650 1
295 . 1 1 25 25 LYS HE2 H 1 2.888 0.005 . 1 . . . . . . . . 5650 1
296 . 1 1 26 26 TYR N N 15 122.352 0.050 . 1 . . . . . . . . 5650 1
297 . 1 1 26 26 TYR H H 1 9.072 0.005 . 1 . . . . . . . . 5650 1
298 . 1 1 26 26 TYR CA C 13 55.419 0.050 . 1 . . . . . . . . 5650 1
299 . 1 1 26 26 TYR HA H 1 4.527 0.005 . 1 . . . . . . . . 5650 1
300 . 1 1 26 26 TYR C C 13 178.084 0.050 . 1 . . . . . . . . 5650 1
301 . 1 1 26 26 TYR CB C 13 39.712 0.050 . 1 . . . . . . . . 5650 1
302 . 1 1 26 26 TYR HB2 H 1 2.464 0.005 . 1 . . . . . . . . 5650 1
303 . 1 1 26 26 TYR HD1 H 1 6.605 0.005 . 1 . . . . . . . . 5650 1
304 . 1 1 26 26 TYR HE1 H 1 6.219 0.005 . 1 . . . . . . . . 5650 1
305 . 1 1 26 26 TYR HB3 H 1 2.464 0.005 . 1 . . . . . . . . 5650 1
306 . 1 1 26 26 TYR HD2 H 1 6.605 0.005 . 1 . . . . . . . . 5650 1
307 . 1 1 26 26 TYR HE2 H 1 6.219 0.005 . 1 . . . . . . . . 5650 1
308 . 1 1 27 27 THR N N 15 118.730 0.050 . 1 . . . . . . . . 5650 1
309 . 1 1 27 27 THR H H 1 7.824 0.005 . 1 . . . . . . . . 5650 1
310 . 1 1 27 27 THR CA C 13 59.912 0.050 . 1 . . . . . . . . 5650 1
311 . 1 1 27 27 THR HA H 1 5.356 0.005 . 1 . . . . . . . . 5650 1
312 . 1 1 27 27 THR C C 13 178.470 0.050 . 1 . . . . . . . . 5650 1
313 . 1 1 27 27 THR CB C 13 67.505 0.050 . 1 . . . . . . . . 5650 1
314 . 1 1 27 27 THR HB H 1 3.790 0.005 . 1 . . . . . . . . 5650 1
315 . 1 1 27 27 THR CG2 C 13 18.682 0.050 . 1 . . . . . . . . 5650 1
316 . 1 1 27 27 THR HG21 H 1 0.907 0.005 . 1 . . . . . . . . 5650 1
317 . 1 1 27 27 THR HG22 H 1 0.907 0.005 . 1 . . . . . . . . 5650 1
318 . 1 1 27 27 THR HG23 H 1 0.907 0.005 . 1 . . . . . . . . 5650 1
319 . 1 1 28 28 PHE N N 15 123.604 0.050 . 1 . . . . . . . . 5650 1
320 . 1 1 28 28 PHE H H 1 9.461 0.005 . 1 . . . . . . . . 5650 1
321 . 1 1 28 28 PHE CA C 13 54.905 0.050 . 1 . . . . . . . . 5650 1
322 . 1 1 28 28 PHE HA H 1 5.155 0.005 . 1 . . . . . . . . 5650 1
323 . 1 1 28 28 PHE C C 13 176.826 0.050 . 1 . . . . . . . . 5650 1
324 . 1 1 28 28 PHE CB C 13 41.759 0.050 . 1 . . . . . . . . 5650 1
325 . 1 1 28 28 PHE HB2 H 1 2.432 0.005 . 2 . . . . . . . . 5650 1
326 . 1 1 28 28 PHE HB3 H 1 3.195 0.005 . 2 . . . . . . . . 5650 1
327 . 1 1 28 28 PHE HD1 H 1 6.998 0.005 . 1 . . . . . . . . 5650 1
328 . 1 1 28 28 PHE HE1 H 1 7.018 0.005 . 1 . . . . . . . . 5650 1
329 . 1 1 28 28 PHE HD2 H 1 6.998 0.005 . 1 . . . . . . . . 5650 1
330 . 1 1 28 28 PHE HE2 H 1 7.018 0.005 . 1 . . . . . . . . 5650 1
331 . 1 1 29 29 TRP N N 15 122.190 0.050 . 1 . . . . . . . . 5650 1
332 . 1 1 29 29 TRP H H 1 9.534 0.005 . 1 . . . . . . . . 5650 1
333 . 1 1 29 29 TRP CA C 13 54.751 0.050 . 1 . . . . . . . . 5650 1
334 . 1 1 29 29 TRP HA H 1 5.540 0.005 . 1 . . . . . . . . 5650 1
335 . 1 1 29 29 TRP C C 13 175.184 0.050 . 1 . . . . . . . . 5650 1
336 . 1 1 29 29 TRP CB C 13 29.165 0.050 . 1 . . . . . . . . 5650 1
337 . 1 1 29 29 TRP HD1 H 1 7.018 0.005 . 2 . . . . . . . . 5650 1
338 . 1 1 29 29 TRP NE1 N 15 129.383 0.050 . 1 . . . . . . . . 5650 1
339 . 1 1 29 29 TRP HE1 H 1 10.507 0.005 . 1 . . . . . . . . 5650 1
340 . 1 1 29 29 TRP HE3 H 1 7.712 0.005 . 1 . . . . . . . . 5650 1
341 . 1 1 29 29 TRP HZ2 H 1 7.581 0.005 . 1 . . . . . . . . 5650 1
342 . 1 1 29 29 TRP HZ3 H 1 6.828 0.005 . 1 . . . . . . . . 5650 1
343 . 1 1 29 29 TRP HH2 H 1 7.227 0.005 . 1 . . . . . . . . 5650 1
344 . 1 1 29 29 TRP HB2 H 1 3.372 0.005 . 1 . . . . . . . . 5650 1
345 . 1 1 29 29 TRP HB3 H 1 3.372 0.005 . 1 . . . . . . . . 5650 1
346 . 1 1 30 30 VAL N N 15 115.651 0.050 . 1 . . . . . . . . 5650 1
347 . 1 1 30 30 VAL H H 1 9.286 0.005 . 1 . . . . . . . . 5650 1
348 . 1 1 30 30 VAL CA C 13 56.046 0.050 . 1 . . . . . . . . 5650 1
349 . 1 1 30 30 VAL HA H 1 5.580 0.005 . 1 . . . . . . . . 5650 1
350 . 1 1 30 30 VAL C C 13 177.730 0.050 . 1 . . . . . . . . 5650 1
351 . 1 1 30 30 VAL CB C 13 33.807 0.050 . 1 . . . . . . . . 5650 1
352 . 1 1 30 30 VAL HB H 1 2.339 0.005 . 1 . . . . . . . . 5650 1
353 . 1 1 30 30 VAL CG1 C 13 16.426 0.050 . 2 . . . . . . . . 5650 1
354 . 1 1 30 30 VAL HG11 H 1 0.732 0.005 . 2 . . . . . . . . 5650 1
355 . 1 1 30 30 VAL HG12 H 1 0.732 0.005 . 2 . . . . . . . . 5650 1
356 . 1 1 30 30 VAL HG13 H 1 0.732 0.005 . 2 . . . . . . . . 5650 1
357 . 1 1 30 30 VAL CG2 C 13 20.636 0.050 . 2 . . . . . . . . 5650 1
358 . 1 1 30 30 VAL HG21 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
359 . 1 1 30 30 VAL HG22 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
360 . 1 1 30 30 VAL HG23 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
361 . 1 1 31 31 HIS N N 15 122.679 0.050 . 1 . . . . . . . . 5650 1
362 . 1 1 31 31 HIS H H 1 8.702 0.005 . 1 . . . . . . . . 5650 1
363 . 1 1 31 31 HIS CA C 13 54.622 0.050 . 1 . . . . . . . . 5650 1
364 . 1 1 31 31 HIS HA H 1 4.433 0.005 . 1 . . . . . . . . 5650 1
365 . 1 1 31 31 HIS CB C 13 29.231 0.050 . 1 . . . . . . . . 5650 1
366 . 1 1 31 31 HIS HB2 H 1 3.046 0.005 . 2 . . . . . . . . 5650 1
367 . 1 1 31 31 HIS HB3 H 1 3.495 0.005 . 2 . . . . . . . . 5650 1
368 . 1 1 31 31 HIS HD2 H 1 7.276 0.005 . 2 . . . . . . . . 5650 1
369 . 1 1 32 32 PRO CA C 13 63.462 0.050 . 1 . . . . . . . . 5650 1
370 . 1 1 32 32 PRO HA H 1 4.144 0.005 . 1 . . . . . . . . 5650 1
371 . 1 1 32 32 PRO C C 13 173.910 0.050 . 1 . . . . . . . . 5650 1
372 . 1 1 32 32 PRO CB C 13 30.358 0.050 . 1 . . . . . . . . 5650 1
373 . 1 1 32 32 PRO HB2 H 1 1.979 0.005 . 2 . . . . . . . . 5650 1
374 . 1 1 32 32 PRO HB3 H 1 2.269 0.005 . 2 . . . . . . . . 5650 1
375 . 1 1 32 32 PRO CG C 13 25.854 0.050 . 1 . . . . . . . . 5650 1
376 . 1 1 32 32 PRO HG2 H 1 1.847 0.005 . 2 . . . . . . . . 5650 1
377 . 1 1 32 32 PRO HG3 H 1 1.934 0.005 . 2 . . . . . . . . 5650 1
378 . 1 1 32 32 PRO CD C 13 48.528 0.050 . 1 . . . . . . . . 5650 1
379 . 1 1 32 32 PRO HD2 H 1 2.746 0.005 . 2 . . . . . . . . 5650 1
380 . 1 1 32 32 PRO HD3 H 1 3.750 0.005 . 2 . . . . . . . . 5650 1
381 . 1 1 33 33 LYS N N 15 118.566 0.050 . 1 . . . . . . . . 5650 1
382 . 1 1 33 33 LYS H H 1 10.290 0.005 . 1 . . . . . . . . 5650 1
383 . 1 1 33 33 LYS CA C 13 53.327 0.050 . 1 . . . . . . . . 5650 1
384 . 1 1 33 33 LYS HA H 1 4.508 0.005 . 1 . . . . . . . . 5650 1
385 . 1 1 33 33 LYS C C 13 174.646 0.050 . 1 . . . . . . . . 5650 1
386 . 1 1 33 33 LYS CB C 13 30.091 0.050 . 1 . . . . . . . . 5650 1
387 . 1 1 33 33 LYS HB2 H 1 1.799 0.005 . 2 . . . . . . . . 5650 1
388 . 1 1 33 33 LYS HB3 H 1 2.078 0.005 . 2 . . . . . . . . 5650 1
389 . 1 1 33 33 LYS CG C 13 23.294 0.050 . 1 . . . . . . . . 5650 1
390 . 1 1 33 33 LYS HG2 H 1 1.518 0.005 . 2 . . . . . . . . 5650 1
391 . 1 1 33 33 LYS HG3 H 1 1.639 0.005 . 2 . . . . . . . . 5650 1
392 . 1 1 33 33 LYS CD C 13 26.700 0.050 . 1 . . . . . . . . 5650 1
393 . 1 1 33 33 LYS CE C 13 40.008 0.050 . 1 . . . . . . . . 5650 1
394 . 1 1 33 33 LYS HZ1 H 1 7.736 0.005 . 1 . . . . . . . . 5650 1
395 . 1 1 33 33 LYS HZ2 H 1 7.736 0.005 . 1 . . . . . . . . 5650 1
396 . 1 1 33 33 LYS HZ3 H 1 7.736 0.005 . 1 . . . . . . . . 5650 1
397 . 1 1 33 33 LYS HD3 H 1 1.756 0.005 . 1 . . . . . . . . 5650 1
398 . 1 1 33 33 LYS HE3 H 1 3.078 0.005 . 1 . . . . . . . . 5650 1
399 . 1 1 33 33 LYS HD2 H 1 1.756 0.005 . 1 . . . . . . . . 5650 1
400 . 1 1 33 33 LYS HE2 H 1 3.078 0.005 . 1 . . . . . . . . 5650 1
401 . 1 1 34 34 ALA N N 15 122.791 0.050 . 1 . . . . . . . . 5650 1
402 . 1 1 34 34 ALA H H 1 8.050 0.005 . 1 . . . . . . . . 5650 1
403 . 1 1 34 34 ALA CA C 13 50.495 0.050 . 1 . . . . . . . . 5650 1
404 . 1 1 34 34 ALA HA H 1 4.624 0.005 . 1 . . . . . . . . 5650 1
405 . 1 1 34 34 ALA C C 13 173.993 0.050 . 1 . . . . . . . . 5650 1
406 . 1 1 34 34 ALA CB C 13 17.967 0.050 . 1 . . . . . . . . 5650 1
407 . 1 1 34 34 ALA HB1 H 1 1.523 0.005 . 1 . . . . . . . . 5650 1
408 . 1 1 34 34 ALA HB2 H 1 1.523 0.005 . 1 . . . . . . . . 5650 1
409 . 1 1 34 34 ALA HB3 H 1 1.523 0.005 . 1 . . . . . . . . 5650 1
410 . 1 1 35 35 THR N N 15 114.382 0.050 . 1 . . . . . . . . 5650 1
411 . 1 1 35 35 THR H H 1 8.745 0.005 . 1 . . . . . . . . 5650 1
412 . 1 1 35 35 THR CA C 13 57.785 0.050 . 1 . . . . . . . . 5650 1
413 . 1 1 35 35 THR HA H 1 4.689 0.005 . 1 . . . . . . . . 5650 1
414 . 1 1 35 35 THR C C 13 176.245 0.050 . 1 . . . . . . . . 5650 1
415 . 1 1 35 35 THR CB C 13 69.224 0.050 . 1 . . . . . . . . 5650 1
416 . 1 1 35 35 THR HB H 1 4.882 0.005 . 1 . . . . . . . . 5650 1
417 . 1 1 35 35 THR CG2 C 13 19.570 0.050 . 1 . . . . . . . . 5650 1
418 . 1 1 35 35 THR HG21 H 1 1.416 0.005 . 1 . . . . . . . . 5650 1
419 . 1 1 35 35 THR HG22 H 1 1.416 0.005 . 1 . . . . . . . . 5650 1
420 . 1 1 35 35 THR HG23 H 1 1.416 0.005 . 1 . . . . . . . . 5650 1
421 . 1 1 36 36 LYS N N 15 119.663 0.050 . 1 . . . . . . . . 5650 1
422 . 1 1 36 36 LYS H H 1 9.190 0.005 . 1 . . . . . . . . 5650 1
423 . 1 1 36 36 LYS CA C 13 59.627 0.050 . 1 . . . . . . . . 5650 1
424 . 1 1 36 36 LYS HA H 1 3.823 0.005 . 1 . . . . . . . . 5650 1
425 . 1 1 36 36 LYS C C 13 173.102 0.050 . 1 . . . . . . . . 5650 1
426 . 1 1 36 36 LYS CB C 13 30.008 0.050 . 1 . . . . . . . . 5650 1
427 . 1 1 36 36 LYS HB2 H 1 1.813 0.005 . 2 . . . . . . . . 5650 1
428 . 1 1 36 36 LYS HB3 H 1 2.026 0.005 . 2 . . . . . . . . 5650 1
429 . 1 1 36 36 LYS CG C 13 24.782 0.050 . 1 . . . . . . . . 5650 1
430 . 1 1 36 36 LYS HG2 H 1 1.244 0.005 . 2 . . . . . . . . 5650 1
431 . 1 1 36 36 LYS HG3 H 1 1.859 0.005 . 2 . . . . . . . . 5650 1
432 . 1 1 36 36 LYS CD C 13 27.477 0.050 . 1 . . . . . . . . 5650 1
433 . 1 1 36 36 LYS HD2 H 1 1.862 0.005 . 2 . . . . . . . . 5650 1
434 . 1 1 36 36 LYS HD3 H 1 1.955 0.005 . 2 . . . . . . . . 5650 1
435 . 1 1 36 36 LYS CE C 13 40.216 0.050 . 1 . . . . . . . . 5650 1
436 . 1 1 36 36 LYS HE3 H 1 3.209 0.005 . 1 . . . . . . . . 5650 1
437 . 1 1 36 36 LYS HE2 H 1 3.209 0.005 . 1 . . . . . . . . 5650 1
438 . 1 1 37 37 THR N N 15 114.693 0.050 . 1 . . . . . . . . 5650 1
439 . 1 1 37 37 THR H H 1 8.202 0.005 . 1 . . . . . . . . 5650 1
440 . 1 1 37 37 THR CA C 13 64.590 0.050 . 1 . . . . . . . . 5650 1
441 . 1 1 37 37 THR HA H 1 3.895 0.005 . 1 . . . . . . . . 5650 1
442 . 1 1 37 37 THR C C 13 176.285 0.050 . 1 . . . . . . . . 5650 1
443 . 1 1 37 37 THR CB C 13 66.441 0.050 . 1 . . . . . . . . 5650 1
444 . 1 1 37 37 THR HB H 1 4.079 0.005 . 1 . . . . . . . . 5650 1
445 . 1 1 37 37 THR CG2 C 13 19.933 0.050 . 1 . . . . . . . . 5650 1
446 . 1 1 37 37 THR HG21 H 1 1.269 0.005 . 1 . . . . . . . . 5650 1
447 . 1 1 37 37 THR HG22 H 1 1.269 0.005 . 1 . . . . . . . . 5650 1
448 . 1 1 37 37 THR HG23 H 1 1.269 0.005 . 1 . . . . . . . . 5650 1
449 . 1 1 38 38 GLU N N 15 121.755 0.050 . 1 . . . . . . . . 5650 1
450 . 1 1 38 38 GLU H H 1 7.698 0.005 . 1 . . . . . . . . 5650 1
451 . 1 1 38 38 GLU CA C 13 57.209 0.050 . 1 . . . . . . . . 5650 1
452 . 1 1 38 38 GLU HA H 1 4.021 0.005 . 1 . . . . . . . . 5650 1
453 . 1 1 38 38 GLU C C 13 172.180 0.050 . 1 . . . . . . . . 5650 1
454 . 1 1 38 38 GLU CB C 13 27.650 0.050 . 1 . . . . . . . . 5650 1
455 . 1 1 38 38 GLU HB2 H 1 1.939 0.005 . 2 . . . . . . . . 5650 1
456 . 1 1 38 38 GLU HB3 H 1 2.455 0.005 . 2 . . . . . . . . 5650 1
457 . 1 1 38 38 GLU CG C 13 35.151 0.050 . 1 . . . . . . . . 5650 1
458 . 1 1 38 38 GLU HG2 H 1 2.330 0.005 . 2 . . . . . . . . 5650 1
459 . 1 1 38 38 GLU HG3 H 1 2.439 0.005 . 2 . . . . . . . . 5650 1
460 . 1 1 39 39 ILE N N 15 120.388 0.050 . 1 . . . . . . . . 5650 1
461 . 1 1 39 39 ILE H H 1 8.492 0.005 . 1 . . . . . . . . 5650 1
462 . 1 1 39 39 ILE CA C 13 63.654 0.050 . 1 . . . . . . . . 5650 1
463 . 1 1 39 39 ILE HA H 1 3.421 0.005 . 1 . . . . . . . . 5650 1
464 . 1 1 39 39 ILE C C 13 175.826 0.050 . 1 . . . . . . . . 5650 1
465 . 1 1 39 39 ILE CB C 13 36.267 0.050 . 1 . . . . . . . . 5650 1
466 . 1 1 39 39 ILE HB H 1 1.813 0.005 . 1 . . . . . . . . 5650 1
467 . 1 1 39 39 ILE CG1 C 13 27.256 0.050 . 1 . . . . . . . . 5650 1
468 . 1 1 39 39 ILE HG12 H 1 0.538 0.005 . 2 . . . . . . . . 5650 1
469 . 1 1 39 39 ILE HG13 H 1 1.880 0.005 . 2 . . . . . . . . 5650 1
470 . 1 1 39 39 ILE CG2 C 13 15.338 0.050 . 1 . . . . . . . . 5650 1
471 . 1 1 39 39 ILE HG21 H 1 0.625 0.005 . 1 . . . . . . . . 5650 1
472 . 1 1 39 39 ILE HG22 H 1 0.625 0.005 . 1 . . . . . . . . 5650 1
473 . 1 1 39 39 ILE HG23 H 1 0.625 0.005 . 1 . . . . . . . . 5650 1
474 . 1 1 39 39 ILE CD1 C 13 12.967 0.050 . 1 . . . . . . . . 5650 1
475 . 1 1 39 39 ILE HD11 H 1 0.655 0.005 . 1 . . . . . . . . 5650 1
476 . 1 1 39 39 ILE HD12 H 1 0.655 0.005 . 1 . . . . . . . . 5650 1
477 . 1 1 39 39 ILE HD13 H 1 0.655 0.005 . 1 . . . . . . . . 5650 1
478 . 1 1 40 40 LYS N N 15 119.454 0.050 . 1 . . . . . . . . 5650 1
479 . 1 1 40 40 LYS H H 1 8.254 0.005 . 1 . . . . . . . . 5650 1
480 . 1 1 40 40 LYS CA C 13 58.575 0.050 . 1 . . . . . . . . 5650 1
481 . 1 1 40 40 LYS HA H 1 3.588 0.005 . 1 . . . . . . . . 5650 1
482 . 1 1 40 40 LYS C C 13 174.862 0.050 . 1 . . . . . . . . 5650 1
483 . 1 1 40 40 LYS CB C 13 30.575 0.050 . 1 . . . . . . . . 5650 1
484 . 1 1 40 40 LYS HB2 H 1 1.830 0.005 . 2 . . . . . . . . 5650 1
485 . 1 1 40 40 LYS HB3 H 1 2.079 0.005 . 2 . . . . . . . . 5650 1
486 . 1 1 40 40 LYS CG C 13 22.289 0.050 . 1 . . . . . . . . 5650 1
487 . 1 1 40 40 LYS CD C 13 27.801 0.050 . 1 . . . . . . . . 5650 1
488 . 1 1 40 40 LYS CE C 13 40.060 0.050 . 1 . . . . . . . . 5650 1
489 . 1 1 40 40 LYS HG2 H 1 1.254 0.005 . 1 . . . . . . . . 5650 1
490 . 1 1 40 40 LYS HD3 H 1 1.670 0.005 . 1 . . . . . . . . 5650 1
491 . 1 1 40 40 LYS HE3 H 1 3.091 0.005 . 1 . . . . . . . . 5650 1
492 . 1 1 40 40 LYS HG3 H 1 1.254 0.005 . 1 . . . . . . . . 5650 1
493 . 1 1 40 40 LYS HD2 H 1 1.670 0.005 . 1 . . . . . . . . 5650 1
494 . 1 1 40 40 LYS HE2 H 1 3.091 0.005 . 1 . . . . . . . . 5650 1
495 . 1 1 41 41 ASN N N 15 114.978 0.050 . 1 . . . . . . . . 5650 1
496 . 1 1 41 41 ASN H H 1 8.288 0.005 . 1 . . . . . . . . 5650 1
497 . 1 1 41 41 ASN CA C 13 54.088 0.050 . 1 . . . . . . . . 5650 1
498 . 1 1 41 41 ASN HA H 1 4.485 0.005 . 1 . . . . . . . . 5650 1
499 . 1 1 41 41 ASN C C 13 174.312 0.050 . 1 . . . . . . . . 5650 1
500 . 1 1 41 41 ASN CB C 13 36.238 0.050 . 1 . . . . . . . . 5650 1
501 . 1 1 41 41 ASN ND2 N 15 111.424 0.050 . 1 . . . . . . . . 5650 1
502 . 1 1 41 41 ASN HD21 H 1 6.922 0.005 . 1 . . . . . . . . 5650 1
503 . 1 1 41 41 ASN HD22 H 1 7.633 0.005 . 1 . . . . . . . . 5650 1
504 . 1 1 41 41 ASN HB2 H 1 2.828 0.005 . 1 . . . . . . . . 5650 1
505 . 1 1 41 41 ASN HB3 H 1 2.828 0.005 . 1 . . . . . . . . 5650 1
506 . 1 1 42 42 ALA N N 15 123.106 0.050 . 1 . . . . . . . . 5650 1
507 . 1 1 42 42 ALA H H 1 8.356 0.005 . 1 . . . . . . . . 5650 1
508 . 1 1 42 42 ALA CA C 13 53.152 0.050 . 1 . . . . . . . . 5650 1
509 . 1 1 42 42 ALA HA H 1 4.081 0.005 . 1 . . . . . . . . 5650 1
510 . 1 1 42 42 ALA C C 13 172.871 0.050 . 1 . . . . . . . . 5650 1
511 . 1 1 42 42 ALA CB C 13 16.660 0.050 . 1 . . . . . . . . 5650 1
512 . 1 1 42 42 ALA HB1 H 1 1.489 0.005 . 1 . . . . . . . . 5650 1
513 . 1 1 42 42 ALA HB2 H 1 1.489 0.005 . 1 . . . . . . . . 5650 1
514 . 1 1 42 42 ALA HB3 H 1 1.489 0.005 . 1 . . . . . . . . 5650 1
515 . 1 1 43 43 VAL N N 15 117.721 0.050 . 1 . . . . . . . . 5650 1
516 . 1 1 43 43 VAL H H 1 8.165 0.005 . 1 . . . . . . . . 5650 1
517 . 1 1 43 43 VAL CA C 13 64.300 0.050 . 1 . . . . . . . . 5650 1
518 . 1 1 43 43 VAL HA H 1 3.494 0.005 . 1 . . . . . . . . 5650 1
519 . 1 1 43 43 VAL C C 13 174.466 0.050 . 1 . . . . . . . . 5650 1
520 . 1 1 43 43 VAL CB C 13 29.560 0.050 . 1 . . . . . . . . 5650 1
521 . 1 1 43 43 VAL HB H 1 2.037 0.005 . 1 . . . . . . . . 5650 1
522 . 1 1 43 43 VAL CG1 C 13 21.370 0.050 . 2 . . . . . . . . 5650 1
523 . 1 1 43 43 VAL HG11 H 1 0.692 0.005 . 2 . . . . . . . . 5650 1
524 . 1 1 43 43 VAL HG12 H 1 0.692 0.005 . 2 . . . . . . . . 5650 1
525 . 1 1 43 43 VAL HG13 H 1 0.692 0.005 . 2 . . . . . . . . 5650 1
526 . 1 1 43 43 VAL CG2 C 13 19.520 0.050 . 2 . . . . . . . . 5650 1
527 . 1 1 43 43 VAL HG21 H 1 0.788 0.005 . 2 . . . . . . . . 5650 1
528 . 1 1 43 43 VAL HG22 H 1 0.788 0.005 . 2 . . . . . . . . 5650 1
529 . 1 1 43 43 VAL HG23 H 1 0.788 0.005 . 2 . . . . . . . . 5650 1
530 . 1 1 44 44 GLU N N 15 117.889 0.050 . 1 . . . . . . . . 5650 1
531 . 1 1 44 44 GLU H H 1 8.401 0.005 . 1 . . . . . . . . 5650 1
532 . 1 1 44 44 GLU CA C 13 58.714 0.050 . 1 . . . . . . . . 5650 1
533 . 1 1 44 44 GLU HA H 1 4.197 0.005 . 1 . . . . . . . . 5650 1
534 . 1 1 44 44 GLU C C 13 171.754 0.050 . 1 . . . . . . . . 5650 1
535 . 1 1 44 44 GLU CB C 13 27.262 0.050 . 1 . . . . . . . . 5650 1
536 . 1 1 44 44 GLU HB2 H 1 2.090 0.005 . 2 . . . . . . . . 5650 1
537 . 1 1 44 44 GLU HB3 H 1 2.206 0.005 . 2 . . . . . . . . 5650 1
538 . 1 1 44 44 GLU CG C 13 35.379 0.050 . 1 . . . . . . . . 5650 1
539 . 1 1 44 44 GLU HG2 H 1 2.804 0.005 . 2 . . . . . . . . 5650 1
540 . 1 1 44 44 GLU HG3 H 1 2.872 0.005 . 2 . . . . . . . . 5650 1
541 . 1 1 45 45 THR N N 15 112.743 0.050 . 1 . . . . . . . . 5650 1
542 . 1 1 45 45 THR H H 1 8.131 0.005 . 1 . . . . . . . . 5650 1
543 . 1 1 45 45 THR CA C 13 63.639 0.050 . 1 . . . . . . . . 5650 1
544 . 1 1 45 45 THR HA H 1 3.993 0.005 . 1 . . . . . . . . 5650 1
545 . 1 1 45 45 THR C C 13 176.578 0.050 . 1 . . . . . . . . 5650 1
546 . 1 1 45 45 THR CB C 13 66.955 0.050 . 1 . . . . . . . . 5650 1
547 . 1 1 45 45 THR HB H 1 4.121 0.005 . 1 . . . . . . . . 5650 1
548 . 1 1 45 45 THR CG2 C 13 19.100 0.050 . 1 . . . . . . . . 5650 1
549 . 1 1 45 45 THR HG21 H 1 1.231 0.005 . 1 . . . . . . . . 5650 1
550 . 1 1 45 45 THR HG22 H 1 1.231 0.005 . 1 . . . . . . . . 5650 1
551 . 1 1 45 45 THR HG23 H 1 1.231 0.005 . 1 . . . . . . . . 5650 1
552 . 1 1 46 46 ALA N N 15 121.222 0.050 . 1 . . . . . . . . 5650 1
553 . 1 1 46 46 ALA H H 1 7.943 0.005 . 1 . . . . . . . . 5650 1
554 . 1 1 46 46 ALA CA C 13 52.507 0.050 . 1 . . . . . . . . 5650 1
555 . 1 1 46 46 ALA HA H 1 3.799 0.005 . 1 . . . . . . . . 5650 1
556 . 1 1 46 46 ALA C C 13 172.820 0.050 . 1 . . . . . . . . 5650 1
557 . 1 1 46 46 ALA CB C 13 15.927 0.050 . 1 . . . . . . . . 5650 1
558 . 1 1 46 46 ALA HB1 H 1 0.541 0.005 . 1 . . . . . . . . 5650 1
559 . 1 1 46 46 ALA HB2 H 1 0.541 0.005 . 1 . . . . . . . . 5650 1
560 . 1 1 46 46 ALA HB3 H 1 0.541 0.005 . 1 . . . . . . . . 5650 1
561 . 1 1 47 47 PHE N N 15 110.562 0.050 . 1 . . . . . . . . 5650 1
562 . 1 1 47 47 PHE H H 1 7.922 0.005 . 1 . . . . . . . . 5650 1
563 . 1 1 47 47 PHE CA C 13 54.905 0.050 . 1 . . . . . . . . 5650 1
564 . 1 1 47 47 PHE HA H 1 4.901 0.005 . 1 . . . . . . . . 5650 1
565 . 1 1 47 47 PHE C C 13 177.412 0.050 . 1 . . . . . . . . 5650 1
566 . 1 1 47 47 PHE CB C 13 37.971 0.050 . 1 . . . . . . . . 5650 1
567 . 1 1 47 47 PHE HB2 H 1 2.740 0.005 . 2 . . . . . . . . 5650 1
568 . 1 1 47 47 PHE HB3 H 1 3.381 0.005 . 2 . . . . . . . . 5650 1
569 . 1 1 47 47 PHE HD1 H 1 7.329 0.005 . 1 . . . . . . . . 5650 1
570 . 1 1 47 47 PHE HE1 H 1 7.078 0.005 . 1 . . . . . . . . 5650 1
571 . 1 1 47 47 PHE HD2 H 1 7.329 0.005 . 1 . . . . . . . . 5650 1
572 . 1 1 47 47 PHE HE2 H 1 7.078 0.005 . 1 . . . . . . . . 5650 1
573 . 1 1 48 48 LYS N N 15 116.500 0.050 . 1 . . . . . . . . 5650 1
574 . 1 1 48 48 LYS H H 1 7.743 0.005 . 1 . . . . . . . . 5650 1
575 . 1 1 48 48 LYS CA C 13 55.128 0.050 . 1 . . . . . . . . 5650 1
576 . 1 1 48 48 LYS HA H 1 4.154 0.005 . 1 . . . . . . . . 5650 1
577 . 1 1 48 48 LYS C C 13 176.879 0.050 . 1 . . . . . . . . 5650 1
578 . 1 1 48 48 LYS CB C 13 26.186 0.050 . 1 . . . . . . . . 5650 1
579 . 1 1 48 48 LYS HB2 H 1 1.970 0.005 . 2 . . . . . . . . 5650 1
580 . 1 1 48 48 LYS HB3 H 1 2.132 0.005 . 2 . . . . . . . . 5650 1
581 . 1 1 48 48 LYS CG C 13 22.891 0.050 . 1 . . . . . . . . 5650 1
582 . 1 1 48 48 LYS CD C 13 26.862 0.050 . 1 . . . . . . . . 5650 1
583 . 1 1 48 48 LYS CE C 13 40.432 0.050 . 1 . . . . . . . . 5650 1
584 . 1 1 48 48 LYS HG2 H 1 1.390 0.005 . 1 . . . . . . . . 5650 1
585 . 1 1 48 48 LYS HD3 H 1 1.735 0.005 . 1 . . . . . . . . 5650 1
586 . 1 1 48 48 LYS HE3 H 1 3.103 0.005 . 1 . . . . . . . . 5650 1
587 . 1 1 48 48 LYS HG3 H 1 1.390 0.005 . 1 . . . . . . . . 5650 1
588 . 1 1 48 48 LYS HD2 H 1 1.735 0.005 . 1 . . . . . . . . 5650 1
589 . 1 1 48 48 LYS HE2 H 1 3.103 0.005 . 1 . . . . . . . . 5650 1
590 . 1 1 49 49 VAL N N 15 108.589 0.050 . 1 . . . . . . . . 5650 1
591 . 1 1 49 49 VAL H H 1 6.880 0.005 . 1 . . . . . . . . 5650 1
592 . 1 1 49 49 VAL CA C 13 56.086 0.050 . 1 . . . . . . . . 5650 1
593 . 1 1 49 49 VAL HA H 1 4.705 0.005 . 1 . . . . . . . . 5650 1
594 . 1 1 49 49 VAL C C 13 177.965 0.050 . 1 . . . . . . . . 5650 1
595 . 1 1 49 49 VAL CB C 13 33.301 0.050 . 1 . . . . . . . . 5650 1
596 . 1 1 49 49 VAL HB H 1 2.143 0.005 . 1 . . . . . . . . 5650 1
597 . 1 1 49 49 VAL CG1 C 13 16.366 0.050 . 2 . . . . . . . . 5650 1
598 . 1 1 49 49 VAL HG11 H 1 0.571 0.005 . 2 . . . . . . . . 5650 1
599 . 1 1 49 49 VAL HG12 H 1 0.571 0.005 . 2 . . . . . . . . 5650 1
600 . 1 1 49 49 VAL HG13 H 1 0.571 0.005 . 2 . . . . . . . . 5650 1
601 . 1 1 49 49 VAL CG2 C 13 19.980 0.050 . 2 . . . . . . . . 5650 1
602 . 1 1 49 49 VAL HG21 H 1 0.819 0.005 . 2 . . . . . . . . 5650 1
603 . 1 1 49 49 VAL HG22 H 1 0.819 0.005 . 2 . . . . . . . . 5650 1
604 . 1 1 49 49 VAL HG23 H 1 0.819 0.005 . 2 . . . . . . . . 5650 1
605 . 1 1 50 50 LYS N N 15 122.045 0.050 . 1 . . . . . . . . 5650 1
606 . 1 1 50 50 LYS H H 1 9.044 0.005 . 1 . . . . . . . . 5650 1
607 . 1 1 50 50 LYS CA C 13 52.654 0.050 . 1 . . . . . . . . 5650 1
608 . 1 1 50 50 LYS HA H 1 4.628 0.005 . 1 . . . . . . . . 5650 1
609 . 1 1 50 50 LYS C C 13 176.627 0.050 . 1 . . . . . . . . 5650 1
610 . 1 1 50 50 LYS CB C 13 31.293 0.050 . 1 . . . . . . . . 5650 1
611 . 1 1 50 50 LYS HB2 H 1 1.743 0.005 . 2 . . . . . . . . 5650 1
612 . 1 1 50 50 LYS HB3 H 1 1.781 0.005 . 2 . . . . . . . . 5650 1
613 . 1 1 50 50 LYS CG C 13 22.654 0.050 . 1 . . . . . . . . 5650 1
614 . 1 1 50 50 LYS HG2 H 1 1.268 0.005 . 2 . . . . . . . . 5650 1
615 . 1 1 50 50 LYS HG3 H 1 1.444 0.005 . 2 . . . . . . . . 5650 1
616 . 1 1 50 50 LYS CD C 13 26.706 0.050 . 1 . . . . . . . . 5650 1
617 . 1 1 50 50 LYS CE C 13 40.012 0.050 . 1 . . . . . . . . 5650 1
618 . 1 1 50 50 LYS HD3 H 1 1.682 0.005 . 1 . . . . . . . . 5650 1
619 . 1 1 50 50 LYS HE3 H 1 2.988 0.005 . 1 . . . . . . . . 5650 1
620 . 1 1 50 50 LYS HD2 H 1 1.682 0.005 . 1 . . . . . . . . 5650 1
621 . 1 1 50 50 LYS HE2 H 1 2.988 0.005 . 1 . . . . . . . . 5650 1
622 . 1 1 51 51 VAL N N 15 126.431 0.050 . 1 . . . . . . . . 5650 1
623 . 1 1 51 51 VAL H H 1 9.828 0.005 . 1 . . . . . . . . 5650 1
624 . 1 1 51 51 VAL CA C 13 60.165 0.050 . 1 . . . . . . . . 5650 1
625 . 1 1 51 51 VAL HA H 1 4.280 0.005 . 1 . . . . . . . . 5650 1
626 . 1 1 51 51 VAL C C 13 176.193 0.050 . 1 . . . . . . . . 5650 1
627 . 1 1 51 51 VAL CB C 13 30.829 0.050 . 1 . . . . . . . . 5650 1
628 . 1 1 51 51 VAL HB H 1 2.082 0.005 . 1 . . . . . . . . 5650 1
629 . 1 1 51 51 VAL CG1 C 13 20.706 0.050 . 2 . . . . . . . . 5650 1
630 . 1 1 51 51 VAL HG11 H 1 0.881 0.005 . 2 . . . . . . . . 5650 1
631 . 1 1 51 51 VAL HG12 H 1 0.881 0.005 . 2 . . . . . . . . 5650 1
632 . 1 1 51 51 VAL HG13 H 1 0.881 0.005 . 2 . . . . . . . . 5650 1
633 . 1 1 51 51 VAL CG2 C 13 21.215 0.050 . 2 . . . . . . . . 5650 1
634 . 1 1 51 51 VAL HG21 H 1 0.962 0.005 . 2 . . . . . . . . 5650 1
635 . 1 1 51 51 VAL HG22 H 1 0.962 0.005 . 2 . . . . . . . . 5650 1
636 . 1 1 51 51 VAL HG23 H 1 0.962 0.005 . 2 . . . . . . . . 5650 1
637 . 1 1 52 52 VAL N N 15 120.634 0.050 . 1 . . . . . . . . 5650 1
638 . 1 1 52 52 VAL H H 1 8.989 0.005 . 1 . . . . . . . . 5650 1
639 . 1 1 52 52 VAL CA C 13 59.767 0.050 . 1 . . . . . . . . 5650 1
640 . 1 1 52 52 VAL HA H 1 4.442 0.005 . 1 . . . . . . . . 5650 1
641 . 1 1 52 52 VAL C C 13 176.177 0.050 . 1 . . . . . . . . 5650 1
642 . 1 1 52 52 VAL CB C 13 30.741 0.050 . 1 . . . . . . . . 5650 1
643 . 1 1 52 52 VAL HB H 1 2.148 0.005 . 1 . . . . . . . . 5650 1
644 . 1 1 52 52 VAL CG1 C 13 16.988 0.050 . 2 . . . . . . . . 5650 1
645 . 1 1 52 52 VAL HG11 H 1 0.792 0.005 . 2 . . . . . . . . 5650 1
646 . 1 1 52 52 VAL HG12 H 1 0.792 0.005 . 2 . . . . . . . . 5650 1
647 . 1 1 52 52 VAL HG13 H 1 0.792 0.005 . 2 . . . . . . . . 5650 1
648 . 1 1 52 52 VAL CG2 C 13 19.108 0.050 . 2 . . . . . . . . 5650 1
649 . 1 1 52 52 VAL HG21 H 1 0.931 0.005 . 2 . . . . . . . . 5650 1
650 . 1 1 52 52 VAL HG22 H 1 0.931 0.005 . 2 . . . . . . . . 5650 1
651 . 1 1 52 52 VAL HG23 H 1 0.931 0.005 . 2 . . . . . . . . 5650 1
652 . 1 1 53 53 LYS N N 15 120.016 0.050 . 1 . . . . . . . . 5650 1
653 . 1 1 53 53 LYS H H 1 7.591 0.005 . 1 . . . . . . . . 5650 1
654 . 1 1 53 53 LYS CA C 13 54.555 0.050 . 1 . . . . . . . . 5650 1
655 . 1 1 53 53 LYS HA H 1 4.623 0.005 . 1 . . . . . . . . 5650 1
656 . 1 1 53 53 LYS C C 13 178.419 0.050 . 1 . . . . . . . . 5650 1
657 . 1 1 53 53 LYS CB C 13 34.460 0.050 . 1 . . . . . . . . 5650 1
658 . 1 1 53 53 LYS CG C 13 22.878 0.050 . 1 . . . . . . . . 5650 1
659 . 1 1 53 53 LYS CD C 13 27.072 0.050 . 1 . . . . . . . . 5650 1
660 . 1 1 53 53 LYS CE C 13 39.940 0.050 . 1 . . . . . . . . 5650 1
661 . 1 1 53 53 LYS HB2 H 1 1.847 0.005 . 1 . . . . . . . . 5650 1
662 . 1 1 53 53 LYS HG2 H 1 1.447 0.005 . 1 . . . . . . . . 5650 1
663 . 1 1 53 53 LYS HD3 H 1 1.735 0.005 . 1 . . . . . . . . 5650 1
664 . 1 1 53 53 LYS HE3 H 1 3.050 0.005 . 1 . . . . . . . . 5650 1
665 . 1 1 53 53 LYS HB3 H 1 1.847 0.005 . 1 . . . . . . . . 5650 1
666 . 1 1 53 53 LYS HG3 H 1 1.447 0.005 . 1 . . . . . . . . 5650 1
667 . 1 1 53 53 LYS HD2 H 1 1.735 0.005 . 1 . . . . . . . . 5650 1
668 . 1 1 53 53 LYS HE2 H 1 3.050 0.005 . 1 . . . . . . . . 5650 1
669 . 1 1 54 54 VAL N N 15 122.708 0.050 . 1 . . . . . . . . 5650 1
670 . 1 1 54 54 VAL H H 1 8.527 0.005 . 1 . . . . . . . . 5650 1
671 . 1 1 54 54 VAL CA C 13 59.444 0.050 . 1 . . . . . . . . 5650 1
672 . 1 1 54 54 VAL HA H 1 4.724 0.005 . 1 . . . . . . . . 5650 1
673 . 1 1 54 54 VAL C C 13 178.363 0.050 . 1 . . . . . . . . 5650 1
674 . 1 1 54 54 VAL CB C 13 33.230 0.050 . 1 . . . . . . . . 5650 1
675 . 1 1 54 54 VAL HB H 1 1.943 0.005 . 1 . . . . . . . . 5650 1
676 . 1 1 54 54 VAL CG1 C 13 19.798 0.050 . 2 . . . . . . . . 5650 1
677 . 1 1 54 54 VAL HG11 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
678 . 1 1 54 54 VAL HG12 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
679 . 1 1 54 54 VAL HG13 H 1 0.907 0.005 . 2 . . . . . . . . 5650 1
680 . 1 1 54 54 VAL CG2 C 13 19.615 0.050 . 2 . . . . . . . . 5650 1
681 . 1 1 54 54 VAL HG21 H 1 0.959 0.005 . 2 . . . . . . . . 5650 1
682 . 1 1 54 54 VAL HG22 H 1 0.959 0.005 . 2 . . . . . . . . 5650 1
683 . 1 1 54 54 VAL HG23 H 1 0.959 0.005 . 2 . . . . . . . . 5650 1
684 . 1 1 55 55 ASN N N 15 124.136 0.050 . 1 . . . . . . . . 5650 1
685 . 1 1 55 55 ASN H H 1 8.877 0.005 . 1 . . . . . . . . 5650 1
686 . 1 1 55 55 ASN CA C 13 50.131 0.050 . 1 . . . . . . . . 5650 1
687 . 1 1 55 55 ASN HA H 1 5.264 0.005 . 1 . . . . . . . . 5650 1
688 . 1 1 55 55 ASN C C 13 177.583 0.050 . 1 . . . . . . . . 5650 1
689 . 1 1 55 55 ASN CB C 13 40.001 0.050 . 1 . . . . . . . . 5650 1
690 . 1 1 55 55 ASN HB2 H 1 2.615 0.005 . 2 . . . . . . . . 5650 1
691 . 1 1 55 55 ASN HB3 H 1 2.865 0.005 . 2 . . . . . . . . 5650 1
692 . 1 1 55 55 ASN ND2 N 15 111.437 0.050 . 1 . . . . . . . . 5650 1
693 . 1 1 55 55 ASN HD21 H 1 6.938 0.005 . 1 . . . . . . . . 5650 1
694 . 1 1 55 55 ASN HD22 H 1 7.572 0.005 . 1 . . . . . . . . 5650 1
695 . 1 1 56 56 THR N N 15 112.778 0.050 . 1 . . . . . . . . 5650 1
696 . 1 1 56 56 THR H H 1 8.781 0.005 . 1 . . . . . . . . 5650 1
697 . 1 1 56 56 THR CA C 13 57.694 0.050 . 1 . . . . . . . . 5650 1
698 . 1 1 56 56 THR HA H 1 5.276 0.005 . 1 . . . . . . . . 5650 1
699 . 1 1 56 56 THR C C 13 178.558 0.050 . 1 . . . . . . . . 5650 1
700 . 1 1 56 56 THR CB C 13 68.993 0.050 . 1 . . . . . . . . 5650 1
701 . 1 1 56 56 THR HB H 1 4.079 0.005 . 1 . . . . . . . . 5650 1
702 . 1 1 56 56 THR CG2 C 13 20.199 0.050 . 1 . . . . . . . . 5650 1
703 . 1 1 56 56 THR HG21 H 1 1.045 0.005 . 1 . . . . . . . . 5650 1
704 . 1 1 56 56 THR HG22 H 1 1.045 0.005 . 1 . . . . . . . . 5650 1
705 . 1 1 56 56 THR HG23 H 1 1.045 0.005 . 1 . . . . . . . . 5650 1
706 . 1 1 57 57 LEU N N 15 121.451 0.050 . 1 . . . . . . . . 5650 1
707 . 1 1 57 57 LEU H H 1 8.729 0.005 . 1 . . . . . . . . 5650 1
708 . 1 1 57 57 LEU CA C 13 52.385 0.050 . 1 . . . . . . . . 5650 1
709 . 1 1 57 57 LEU HA H 1 4.727 0.005 . 1 . . . . . . . . 5650 1
710 . 1 1 57 57 LEU C C 13 176.290 0.050 . 1 . . . . . . . . 5650 1
711 . 1 1 57 57 LEU CB C 13 42.372 0.050 . 1 . . . . . . . . 5650 1
712 . 1 1 57 57 LEU HB2 H 1 1.530 0.005 . 2 . . . . . . . . 5650 1
713 . 1 1 57 57 LEU HB3 H 1 1.668 0.005 . 2 . . . . . . . . 5650 1
714 . 1 1 57 57 LEU CG C 13 24.984 0.050 . 1 . . . . . . . . 5650 1
715 . 1 1 57 57 LEU HG H 1 1.550 0.005 . 1 . . . . . . . . 5650 1
716 . 1 1 57 57 LEU CD1 C 13 22.868 0.050 . 1 . . . . . . . . 5650 1
717 . 1 1 57 57 LEU HD11 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
718 . 1 1 57 57 LEU HD12 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
719 . 1 1 57 57 LEU HD13 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
720 . 1 1 57 57 LEU CD2 C 13 22.868 0.050 . 1 . . . . . . . . 5650 1
721 . 1 1 57 57 LEU HD21 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
722 . 1 1 57 57 LEU HD22 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
723 . 1 1 57 57 LEU HD23 H 1 0.873 0.005 . 1 . . . . . . . . 5650 1
724 . 1 1 58 58 HIS N N 15 121.464 0.050 . 1 . . . . . . . . 5650 1
725 . 1 1 58 58 HIS H H 1 8.990 0.005 . 1 . . . . . . . . 5650 1
726 . 1 1 58 58 HIS CA C 13 53.572 0.050 . 1 . . . . . . . . 5650 1
727 . 1 1 58 58 HIS HA H 1 4.996 0.005 . 1 . . . . . . . . 5650 1
728 . 1 1 58 58 HIS C C 13 177.649 0.050 . 1 . . . . . . . . 5650 1
729 . 1 1 58 58 HIS CB C 13 27.220 0.050 . 1 . . . . . . . . 5650 1
730 . 1 1 58 58 HIS HB2 H 1 3.266 0.005 . 2 . . . . . . . . 5650 1
731 . 1 1 58 58 HIS HB3 H 1 3.343 0.005 . 2 . . . . . . . . 5650 1
732 . 1 1 58 58 HIS HD2 H 1 6.274 0.005 . 1 . . . . . . . . 5650 1
733 . 1 1 59 59 VAL N N 15 123.265 0.050 . 1 . . . . . . . . 5650 1
734 . 1 1 59 59 VAL H H 1 8.582 0.005 . 1 . . . . . . . . 5650 1
735 . 1 1 59 59 VAL CA C 13 59.746 0.050 . 1 . . . . . . . . 5650 1
736 . 1 1 59 59 VAL HA H 1 4.335 0.005 . 1 . . . . . . . . 5650 1
737 . 1 1 59 59 VAL C C 13 176.840 0.050 . 1 . . . . . . . . 5650 1
738 . 1 1 59 59 VAL CB C 13 31.507 0.050 . 1 . . . . . . . . 5650 1
739 . 1 1 59 59 VAL HB H 1 2.142 0.005 . 1 . . . . . . . . 5650 1
740 . 1 1 59 59 VAL CG1 C 13 18.777 0.050 . 2 . . . . . . . . 5650 1
741 . 1 1 59 59 VAL HG11 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
742 . 1 1 59 59 VAL HG12 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
743 . 1 1 59 59 VAL HG13 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
744 . 1 1 59 59 VAL CG2 C 13 19.320 0.050 . 2 . . . . . . . . 5650 1
745 . 1 1 59 59 VAL HG21 H 1 1.099 0.005 . 2 . . . . . . . . 5650 1
746 . 1 1 59 59 VAL HG22 H 1 1.099 0.005 . 2 . . . . . . . . 5650 1
747 . 1 1 59 59 VAL HG23 H 1 1.099 0.005 . 2 . . . . . . . . 5650 1
748 . 1 1 60 60 ARG N N 15 126.064 0.050 . 1 . . . . . . . . 5650 1
749 . 1 1 60 60 ARG H H 1 8.699 0.005 . 1 . . . . . . . . 5650 1
750 . 1 1 60 60 ARG CA C 13 53.976 0.050 . 1 . . . . . . . . 5650 1
751 . 1 1 60 60 ARG HA H 1 4.528 0.005 . 1 . . . . . . . . 5650 1
752 . 1 1 60 60 ARG C C 13 175.217 0.050 . 1 . . . . . . . . 5650 1
753 . 1 1 60 60 ARG CB C 13 28.895 0.050 . 1 . . . . . . . . 5650 1
754 . 1 1 60 60 ARG HB2 H 1 1.886 0.005 . 2 . . . . . . . . 5650 1
755 . 1 1 60 60 ARG HB3 H 1 1.935 0.005 . 2 . . . . . . . . 5650 1
756 . 1 1 60 60 ARG CG C 13 25.053 0.050 . 1 . . . . . . . . 5650 1
757 . 1 1 60 60 ARG CD C 13 41.333 0.050 . 1 . . . . . . . . 5650 1
758 . 1 1 60 60 ARG NE N 15 116.745 0.050 . 1 . . . . . . . . 5650 1
759 . 1 1 60 60 ARG HE H 1 7.390 0.005 . 1 . . . . . . . . 5650 1
760 . 1 1 60 60 ARG HG2 H 1 1.760 0.005 . 1 . . . . . . . . 5650 1
761 . 1 1 60 60 ARG HD2 H 1 3.262 0.005 . 1 . . . . . . . . 5650 1
762 . 1 1 60 60 ARG HG3 H 1 1.760 0.005 . 1 . . . . . . . . 5650 1
763 . 1 1 60 60 ARG HD3 H 1 3.262 0.005 . 1 . . . . . . . . 5650 1
764 . 1 1 61 61 GLY N N 15 110.199 0.050 . 1 . . . . . . . . 5650 1
765 . 1 1 61 61 GLY H H 1 8.669 0.005 . 1 . . . . . . . . 5650 1
766 . 1 1 61 61 GLY CA C 13 43.112 0.050 . 1 . . . . . . . . 5650 1
767 . 1 1 61 61 GLY HA2 H 1 3.908 0.005 . 1 . . . . . . . . 5650 1
768 . 1 1 61 61 GLY HA3 H 1 4.083 0.005 . 1 . . . . . . . . 5650 1
769 . 1 1 61 61 GLY C C 13 178.407 0.050 . 1 . . . . . . . . 5650 1
770 . 1 1 62 62 LYS N N 15 120.829 0.050 . 1 . . . . . . . . 5650 1
771 . 1 1 62 62 LYS H H 1 8.393 0.005 . 1 . . . . . . . . 5650 1
772 . 1 1 62 62 LYS CA C 13 54.241 0.050 . 1 . . . . . . . . 5650 1
773 . 1 1 62 62 LYS C C 13 175.427 0.050 . 1 . . . . . . . . 5650 1
774 . 1 1 62 62 LYS CB C 13 31.118 0.050 . 1 . . . . . . . . 5650 1
775 . 1 1 62 62 LYS CG C 13 22.675 0.050 . 1 . . . . . . . . 5650 1
776 . 1 1 62 62 LYS CD C 13 26.868 0.050 . 1 . . . . . . . . 5650 1
777 . 1 1 63 63 LYS N N 15 121.324 0.050 . 1 . . . . . . . . 5650 1
778 . 1 1 63 63 LYS H H 1 8.406 0.005 . 1 . . . . . . . . 5650 1
779 . 1 1 63 63 LYS CA C 13 54.306 0.050 . 1 . . . . . . . . 5650 1
780 . 1 1 63 63 LYS HA H 1 4.359 0.005 . 1 . . . . . . . . 5650 1
781 . 1 1 63 63 LYS C C 13 175.651 0.050 . 1 . . . . . . . . 5650 1
782 . 1 1 63 63 LYS CB C 13 30.975 0.050 . 1 . . . . . . . . 5650 1
783 . 1 1 63 63 LYS CG C 13 22.858 0.050 . 1 . . . . . . . . 5650 1
784 . 1 1 63 63 LYS CD C 13 27.011 0.050 . 1 . . . . . . . . 5650 1
785 . 1 1 63 63 LYS CE C 13 39.988 0.050 . 1 . . . . . . . . 5650 1
786 . 1 1 63 63 LYS HG2 H 1 1.466 0.005 . 1 . . . . . . . . 5650 1
787 . 1 1 63 63 LYS HE3 H 1 3.036 0.005 . 1 . . . . . . . . 5650 1
788 . 1 1 63 63 LYS HG3 H 1 1.466 0.005 . 1 . . . . . . . . 5650 1
789 . 1 1 63 63 LYS HE2 H 1 3.036 0.005 . 1 . . . . . . . . 5650 1
790 . 1 1 64 64 LYS N N 15 122.002 0.050 . 1 . . . . . . . . 5650 1
791 . 1 1 64 64 LYS H H 1 8.315 0.005 . 1 . . . . . . . . 5650 1
792 . 1 1 64 64 LYS CA C 13 54.519 0.050 . 1 . . . . . . . . 5650 1
793 . 1 1 64 64 LYS HA H 1 4.313 0.005 . 1 . . . . . . . . 5650 1
794 . 1 1 64 64 LYS C C 13 175.874 0.050 . 1 . . . . . . . . 5650 1
795 . 1 1 64 64 LYS CB C 13 31.001 0.050 . 1 . . . . . . . . 5650 1
796 . 1 1 64 64 LYS CG C 13 22.665 0.050 . 1 . . . . . . . . 5650 1
797 . 1 1 64 64 LYS CD C 13 26.941 0.050 . 1 . . . . . . . . 5650 1
798 . 1 1 64 64 LYS CE C 13 39.982 0.050 . 1 . . . . . . . . 5650 1
799 . 1 1 64 64 LYS HB2 H 1 1.837 0.005 . 1 . . . . . . . . 5650 1
800 . 1 1 64 64 LYS HB3 H 1 1.837 0.005 . 1 . . . . . . . . 5650 1
801 . 1 1 65 65 ARG N N 15 121.785 0.050 . 1 . . . . . . . . 5650 1
802 . 1 1 65 65 ARG H H 1 8.400 0.005 . 1 . . . . . . . . 5650 1
803 . 1 1 65 65 ARG CA C 13 54.068 0.050 . 1 . . . . . . . . 5650 1
804 . 1 1 65 65 ARG HA H 1 4.391 0.005 . 1 . . . . . . . . 5650 1
805 . 1 1 65 65 ARG C C 13 176.226 0.050 . 1 . . . . . . . . 5650 1
806 . 1 1 65 65 ARG CB C 13 28.772 0.050 . 1 . . . . . . . . 5650 1
807 . 1 1 65 65 ARG HB2 H 1 1.806 0.005 . 2 . . . . . . . . 5650 1
808 . 1 1 65 65 ARG HB3 H 1 1.889 0.005 . 2 . . . . . . . . 5650 1
809 . 1 1 65 65 ARG CG C 13 25.045 0.050 . 1 . . . . . . . . 5650 1
810 . 1 1 65 65 ARG HG2 H 1 1.621 0.005 . 2 . . . . . . . . 5650 1
811 . 1 1 65 65 ARG HG3 H 1 1.661 0.005 . 2 . . . . . . . . 5650 1
812 . 1 1 65 65 ARG CD C 13 41.265 0.050 . 1 . . . . . . . . 5650 1
813 . 1 1 65 65 ARG NE N 15 116.496 0.050 . 1 . . . . . . . . 5650 1
814 . 1 1 65 65 ARG HE H 1 7.412 0.005 . 1 . . . . . . . . 5650 1
815 . 1 1 65 65 ARG HD2 H 1 3.198 0.005 . 1 . . . . . . . . 5650 1
816 . 1 1 65 65 ARG HD3 H 1 3.198 0.005 . 1 . . . . . . . . 5650 1
817 . 1 1 66 66 LEU N N 15 122.812 0.050 . 1 . . . . . . . . 5650 1
818 . 1 1 66 66 LEU H H 1 8.377 0.005 . 1 . . . . . . . . 5650 1
819 . 1 1 66 66 LEU CA C 13 53.112 0.050 . 1 . . . . . . . . 5650 1
820 . 1 1 66 66 LEU HA H 1 4.398 0.005 . 1 . . . . . . . . 5650 1
821 . 1 1 66 66 LEU C C 13 174.698 0.050 . 1 . . . . . . . . 5650 1
822 . 1 1 66 66 LEU CB C 13 40.250 0.050 . 1 . . . . . . . . 5650 1
823 . 1 1 66 66 LEU HB2 H 1 1.641 0.005 . 2 . . . . . . . . 5650 1
824 . 1 1 66 66 LEU HB3 H 1 1.710 0.005 . 2 . . . . . . . . 5650 1
825 . 1 1 66 66 LEU CG C 13 24.832 0.050 . 1 . . . . . . . . 5650 1
826 . 1 1 66 66 LEU HG H 1 1.641 0.005 . 1 . . . . . . . . 5650 1
827 . 1 1 66 66 LEU CD1 C 13 21.480 0.050 . 2 . . . . . . . . 5650 1
828 . 1 1 66 66 LEU HD11 H 1 0.909 0.005 . 2 . . . . . . . . 5650 1
829 . 1 1 66 66 LEU HD12 H 1 0.909 0.005 . 2 . . . . . . . . 5650 1
830 . 1 1 66 66 LEU HD13 H 1 0.909 0.005 . 2 . . . . . . . . 5650 1
831 . 1 1 66 66 LEU CD2 C 13 22.928 0.050 . 2 . . . . . . . . 5650 1
832 . 1 1 66 66 LEU HD21 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
833 . 1 1 66 66 LEU HD22 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
834 . 1 1 66 66 LEU HD23 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
835 . 1 1 67 67 GLY N N 15 108.985 0.050 . 1 . . . . . . . . 5650 1
836 . 1 1 67 67 GLY H H 1 8.385 0.005 . 1 . . . . . . . . 5650 1
837 . 1 1 67 67 GLY CA C 13 43.482 0.050 . 1 . . . . . . . . 5650 1
838 . 1 1 67 67 GLY HA2 H 1 3.893 0.005 . 1 . . . . . . . . 5650 1
839 . 1 1 67 67 GLY HA3 H 1 4.036 0.005 . 1 . . . . . . . . 5650 1
840 . 1 1 67 67 GLY C C 13 177.941 0.050 . 1 . . . . . . . . 5650 1
841 . 1 1 68 68 ARG N N 15 120.571 0.050 . 1 . . . . . . . . 5650 1
842 . 1 1 68 68 ARG H H 1 8.244 0.005 . 1 . . . . . . . . 5650 1
843 . 1 1 68 68 ARG CA C 13 54.327 0.050 . 1 . . . . . . . . 5650 1
844 . 1 1 68 68 ARG HA H 1 4.289 0.005 . 1 . . . . . . . . 5650 1
845 . 1 1 68 68 ARG C C 13 176.180 0.050 . 1 . . . . . . . . 5650 1
846 . 1 1 68 68 ARG CB C 13 28.627 0.050 . 1 . . . . . . . . 5650 1
847 . 1 1 68 68 ARG CG C 13 24.763 0.050 . 1 . . . . . . . . 5650 1
848 . 1 1 68 68 ARG CD C 13 41.259 0.050 . 1 . . . . . . . . 5650 1
849 . 1 1 68 68 ARG NE N 15 116.552 0.050 . 1 . . . . . . . . 5650 1
850 . 1 1 68 68 ARG HE H 1 7.248 0.005 . 1 . . . . . . . . 5650 1
851 . 1 1 68 68 ARG HB2 H 1 1.706 0.005 . 1 . . . . . . . . 5650 1
852 . 1 1 68 68 ARG HG2 H 1 1.487 0.005 . 1 . . . . . . . . 5650 1
853 . 1 1 68 68 ARG HD2 H 1 3.158 0.005 . 1 . . . . . . . . 5650 1
854 . 1 1 68 68 ARG HB3 H 1 1.706 0.005 . 1 . . . . . . . . 5650 1
855 . 1 1 68 68 ARG HG3 H 1 1.487 0.005 . 1 . . . . . . . . 5650 1
856 . 1 1 68 68 ARG HD3 H 1 3.158 0.005 . 1 . . . . . . . . 5650 1
857 . 1 1 69 69 TYR N N 15 120.039 0.050 . 1 . . . . . . . . 5650 1
858 . 1 1 69 69 TYR H H 1 8.224 0.005 . 1 . . . . . . . . 5650 1
859 . 1 1 69 69 TYR CA C 13 55.728 0.050 . 1 . . . . . . . . 5650 1
860 . 1 1 69 69 TYR HA H 1 4.644 0.005 . 1 . . . . . . . . 5650 1
861 . 1 1 69 69 TYR C C 13 176.679 0.050 . 1 . . . . . . . . 5650 1
862 . 1 1 69 69 TYR CB C 13 36.487 0.050 . 1 . . . . . . . . 5650 1
863 . 1 1 69 69 TYR HB2 H 1 2.977 0.005 . 2 . . . . . . . . 5650 1
864 . 1 1 69 69 TYR HB3 H 1 3.115 0.005 . 2 . . . . . . . . 5650 1
865 . 1 1 69 69 TYR HD1 H 1 7.158 0.005 . 1 . . . . . . . . 5650 1
866 . 1 1 69 69 TYR HE1 H 1 6.855 0.005 . 1 . . . . . . . . 5650 1
867 . 1 1 69 69 TYR HD2 H 1 7.158 0.005 . 1 . . . . . . . . 5650 1
868 . 1 1 69 69 TYR HE2 H 1 6.855 0.005 . 1 . . . . . . . . 5650 1
869 . 1 1 70 70 LEU N N 15 123.571 0.050 . 1 . . . . . . . . 5650 1
870 . 1 1 70 70 LEU H H 1 8.186 0.005 . 1 . . . . . . . . 5650 1
871 . 1 1 70 70 LEU CA C 13 53.005 0.050 . 1 . . . . . . . . 5650 1
872 . 1 1 70 70 LEU HA H 1 4.362 0.005 . 1 . . . . . . . . 5650 1
873 . 1 1 70 70 LEU C C 13 174.936 0.050 . 1 . . . . . . . . 5650 1
874 . 1 1 70 70 LEU CB C 13 40.259 0.050 . 1 . . . . . . . . 5650 1
875 . 1 1 70 70 LEU HB2 H 1 1.603 0.005 . 2 . . . . . . . . 5650 1
876 . 1 1 70 70 LEU HB3 H 1 1.633 0.005 . 2 . . . . . . . . 5650 1
877 . 1 1 70 70 LEU CG C 13 24.720 0.050 . 1 . . . . . . . . 5650 1
878 . 1 1 70 70 LEU HG H 1 1.574 0.005 . 1 . . . . . . . . 5650 1
879 . 1 1 70 70 LEU CD1 C 13 21.410 0.050 . 2 . . . . . . . . 5650 1
880 . 1 1 70 70 LEU HD11 H 1 0.869 0.005 . 2 . . . . . . . . 5650 1
881 . 1 1 70 70 LEU HD12 H 1 0.869 0.005 . 2 . . . . . . . . 5650 1
882 . 1 1 70 70 LEU HD13 H 1 0.869 0.005 . 2 . . . . . . . . 5650 1
883 . 1 1 70 70 LEU CD2 C 13 22.913 0.050 . 2 . . . . . . . . 5650 1
884 . 1 1 70 70 LEU HD21 H 1 0.921 0.005 . 2 . . . . . . . . 5650 1
885 . 1 1 70 70 LEU HD22 H 1 0.921 0.005 . 2 . . . . . . . . 5650 1
886 . 1 1 70 70 LEU HD23 H 1 0.921 0.005 . 2 . . . . . . . . 5650 1
887 . 1 1 71 71 GLY N N 15 108.580 0.050 . 1 . . . . . . . . 5650 1
888 . 1 1 71 71 GLY H H 1 7.925 0.005 . 1 . . . . . . . . 5650 1
889 . 1 1 71 71 GLY CA C 13 42.945 0.050 . 1 . . . . . . . . 5650 1
890 . 1 1 71 71 GLY C C 13 178.689 0.050 . 1 . . . . . . . . 5650 1
891 . 1 1 71 71 GLY HA2 H 1 3.958 0.005 . 1 . . . . . . . . 5650 1
892 . 1 1 71 71 GLY HA3 H 1 3.958 0.005 . 1 . . . . . . . . 5650 1
893 . 1 1 72 72 LYS N N 15 120.051 0.050 . 1 . . . . . . . . 5650 1
894 . 1 1 72 72 LYS H H 1 8.170 0.005 . 1 . . . . . . . . 5650 1
895 . 1 1 72 72 LYS CA C 13 54.165 0.050 . 1 . . . . . . . . 5650 1
896 . 1 1 72 72 LYS HA H 1 4.374 0.005 . 1 . . . . . . . . 5650 1
897 . 1 1 72 72 LYS C C 13 175.766 0.050 . 1 . . . . . . . . 5650 1
898 . 1 1 72 72 LYS CB C 13 31.296 0.050 . 1 . . . . . . . . 5650 1
899 . 1 1 72 72 LYS HB2 H 1 1.780 0.005 . 2 . . . . . . . . 5650 1
900 . 1 1 72 72 LYS HB3 H 1 1.880 0.005 . 2 . . . . . . . . 5650 1
901 . 1 1 72 72 LYS CG C 13 22.458 0.050 . 1 . . . . . . . . 5650 1
902 . 1 1 72 72 LYS CD C 13 26.865 0.050 . 1 . . . . . . . . 5650 1
903 . 1 1 72 72 LYS CE C 13 40.005 0.050 . 1 . . . . . . . . 5650 1
904 . 1 1 72 72 LYS HG2 H 1 1.441 0.005 . 1 . . . . . . . . 5650 1
905 . 1 1 72 72 LYS HD3 H 1 1.767 0.005 . 1 . . . . . . . . 5650 1
906 . 1 1 72 72 LYS HE3 H 1 3.042 0.005 . 1 . . . . . . . . 5650 1
907 . 1 1 72 72 LYS HG3 H 1 1.441 0.005 . 1 . . . . . . . . 5650 1
908 . 1 1 72 72 LYS HD2 H 1 1.767 0.005 . 1 . . . . . . . . 5650 1
909 . 1 1 72 72 LYS HE2 H 1 3.042 0.005 . 1 . . . . . . . . 5650 1
910 . 1 1 73 73 ARG N N 15 123.310 0.050 . 1 . . . . . . . . 5650 1
911 . 1 1 73 73 ARG H H 1 8.445 0.005 . 1 . . . . . . . . 5650 1
912 . 1 1 73 73 ARG CA C 13 51.693 0.050 . 1 . . . . . . . . 5650 1
913 . 1 1 73 73 ARG HA H 1 4.581 0.005 . 1 . . . . . . . . 5650 1
914 . 1 1 73 73 ARG CB C 13 28.038 0.050 . 1 . . . . . . . . 5650 1
915 . 1 1 73 73 ARG HB2 H 1 1.746 0.005 . 2 . . . . . . . . 5650 1
916 . 1 1 73 73 ARG HB3 H 1 1.866 0.005 . 2 . . . . . . . . 5650 1
917 . 1 1 73 73 ARG CG C 13 24.944 0.050 . 1 . . . . . . . . 5650 1
918 . 1 1 73 73 ARG HG2 H 1 1.652 0.005 . 2 . . . . . . . . 5650 1
919 . 1 1 73 73 ARG HG3 H 1 1.683 0.005 . 2 . . . . . . . . 5650 1
920 . 1 1 73 73 ARG CD C 13 41.167 0.050 . 1 . . . . . . . . 5650 1
921 . 1 1 73 73 ARG NE N 15 116.565 0.050 . 1 . . . . . . . . 5650 1
922 . 1 1 73 73 ARG HE H 1 7.369 0.005 . 1 . . . . . . . . 5650 1
923 . 1 1 73 73 ARG HD2 H 1 3.181 0.005 . 1 . . . . . . . . 5650 1
924 . 1 1 73 73 ARG HD3 H 1 3.181 0.005 . 1 . . . . . . . . 5650 1
925 . 1 1 74 74 PRO CA C 13 60.851 0.050 . 1 . . . . . . . . 5650 1
926 . 1 1 74 74 PRO HA H 1 4.462 0.005 . 1 . . . . . . . . 5650 1
927 . 1 1 74 74 PRO C C 13 175.973 0.050 . 1 . . . . . . . . 5650 1
928 . 1 1 74 74 PRO CB C 13 30.024 0.050 . 1 . . . . . . . . 5650 1
929 . 1 1 74 74 PRO HB2 H 1 1.910 0.005 . 2 . . . . . . . . 5650 1
930 . 1 1 74 74 PRO HB3 H 1 2.286 0.005 . 2 . . . . . . . . 5650 1
931 . 1 1 74 74 PRO CG C 13 25.229 0.050 . 1 . . . . . . . . 5650 1
932 . 1 1 74 74 PRO CD C 13 48.464 0.050 . 1 . . . . . . . . 5650 1
933 . 1 1 74 74 PRO HD2 H 1 3.593 0.005 . 2 . . . . . . . . 5650 1
934 . 1 1 74 74 PRO HD3 H 1 3.778 0.005 . 2 . . . . . . . . 5650 1
935 . 1 1 74 74 PRO HG2 H 1 2.000 0.005 . 1 . . . . . . . . 5650 1
936 . 1 1 74 74 PRO HG3 H 1 2.000 0.005 . 1 . . . . . . . . 5650 1
937 . 1 1 75 75 ASP N N 15 120.741 0.050 . 1 . . . . . . . . 5650 1
938 . 1 1 75 75 ASP H H 1 8.422 0.005 . 1 . . . . . . . . 5650 1
939 . 1 1 75 75 ASP CA C 13 52.125 0.050 . 1 . . . . . . . . 5650 1
940 . 1 1 75 75 ASP HA H 1 4.673 0.005 . 1 . . . . . . . . 5650 1
941 . 1 1 75 75 ASP C C 13 176.898 0.050 . 1 . . . . . . . . 5650 1
942 . 1 1 75 75 ASP CB C 13 39.117 0.050 . 1 . . . . . . . . 5650 1
943 . 1 1 75 75 ASP HB2 H 1 2.679 0.005 . 2 . . . . . . . . 5650 1
944 . 1 1 75 75 ASP HB3 H 1 2.722 0.005 . 2 . . . . . . . . 5650 1
945 . 1 1 76 76 ARG N N 15 117.880 0.050 . 1 . . . . . . . . 5650 1
946 . 1 1 76 76 ARG H H 1 8.152 0.005 . 1 . . . . . . . . 5650 1
947 . 1 1 76 76 ARG CA C 13 52.877 0.050 . 1 . . . . . . . . 5650 1
948 . 1 1 76 76 ARG HA H 1 4.701 0.005 . 1 . . . . . . . . 5650 1
949 . 1 1 76 76 ARG C C 13 177.602 0.050 . 1 . . . . . . . . 5650 1
950 . 1 1 76 76 ARG CB C 13 31.887 0.050 . 1 . . . . . . . . 5650 1
951 . 1 1 76 76 ARG HB2 H 1 1.714 0.005 . 2 . . . . . . . . 5650 1
952 . 1 1 76 76 ARG HB3 H 1 2.014 0.005 . 2 . . . . . . . . 5650 1
953 . 1 1 76 76 ARG CG C 13 24.008 0.050 . 1 . . . . . . . . 5650 1
954 . 1 1 76 76 ARG HG2 H 1 1.433 0.005 . 2 . . . . . . . . 5650 1
955 . 1 1 76 76 ARG HG3 H 1 1.502 0.005 . 2 . . . . . . . . 5650 1
956 . 1 1 76 76 ARG CD C 13 41.228 0.050 . 1 . . . . . . . . 5650 1
957 . 1 1 76 76 ARG HD2 H 1 2.288 0.005 . 2 . . . . . . . . 5650 1
958 . 1 1 76 76 ARG HD3 H 1 2.596 0.005 . 2 . . . . . . . . 5650 1
959 . 1 1 76 76 ARG NE N 15 115.982 0.050 . 1 . . . . . . . . 5650 1
960 . 1 1 76 76 ARG HE H 1 6.642 0.005 . 1 . . . . . . . . 5650 1
961 . 1 1 77 77 LYS N N 15 122.640 0.050 . 1 . . . . . . . . 5650 1
962 . 1 1 77 77 LYS H H 1 9.520 0.005 . 1 . . . . . . . . 5650 1
963 . 1 1 77 77 LYS CA C 13 53.678 0.050 . 1 . . . . . . . . 5650 1
964 . 1 1 77 77 LYS HA H 1 5.111 0.005 . 1 . . . . . . . . 5650 1
965 . 1 1 77 77 LYS C C 13 178.785 0.050 . 1 . . . . . . . . 5650 1
966 . 1 1 77 77 LYS CB C 13 34.755 0.050 . 1 . . . . . . . . 5650 1
967 . 1 1 77 77 LYS HB2 H 1 1.590 0.005 . 2 . . . . . . . . 5650 1
968 . 1 1 77 77 LYS HB3 H 1 1.912 0.005 . 2 . . . . . . . . 5650 1
969 . 1 1 77 77 LYS CG C 13 22.892 0.050 . 1 . . . . . . . . 5650 1
970 . 1 1 77 77 LYS HG2 H 1 1.151 0.005 . 2 . . . . . . . . 5650 1
971 . 1 1 77 77 LYS HG3 H 1 1.247 0.005 . 2 . . . . . . . . 5650 1
972 . 1 1 77 77 LYS CD C 13 28.362 0.050 . 1 . . . . . . . . 5650 1
973 . 1 1 77 77 LYS HD2 H 1 1.627 0.005 . 2 . . . . . . . . 5650 1
974 . 1 1 77 77 LYS HD3 H 1 1.776 0.005 . 2 . . . . . . . . 5650 1
975 . 1 1 77 77 LYS CE C 13 39.937 0.050 . 1 . . . . . . . . 5650 1
976 . 1 1 77 77 LYS HE2 H 1 2.699 0.005 . 1 . . . . . . . . 5650 1
977 . 1 1 77 77 LYS HE3 H 1 3.068 0.005 . 1 . . . . . . . . 5650 1
978 . 1 1 78 78 LYS N N 15 124.748 0.050 . 1 . . . . . . . . 5650 1
979 . 1 1 78 78 LYS H H 1 8.897 0.005 . 1 . . . . . . . . 5650 1
980 . 1 1 78 78 LYS CA C 13 52.524 0.050 . 1 . . . . . . . . 5650 1
981 . 1 1 78 78 LYS HA H 1 5.227 0.005 . 1 . . . . . . . . 5650 1
982 . 1 1 78 78 LYS C C 13 177.212 0.050 . 1 . . . . . . . . 5650 1
983 . 1 1 78 78 LYS CB C 13 34.162 0.050 . 1 . . . . . . . . 5650 1
984 . 1 1 78 78 LYS CG C 13 23.307 0.050 . 1 . . . . . . . . 5650 1
985 . 1 1 78 78 LYS HG2 H 1 0.684 0.005 . 2 . . . . . . . . 5650 1
986 . 1 1 78 78 LYS HG3 H 1 0.764 0.005 . 2 . . . . . . . . 5650 1
987 . 1 1 78 78 LYS CD C 13 27.414 0.050 . 1 . . . . . . . . 5650 1
988 . 1 1 78 78 LYS HD2 H 1 1.117 0.005 . 2 . . . . . . . . 5650 1
989 . 1 1 78 78 LYS HD3 H 1 1.157 0.005 . 2 . . . . . . . . 5650 1
990 . 1 1 78 78 LYS CE C 13 39.399 0.050 . 1 . . . . . . . . 5650 1
991 . 1 1 78 78 LYS HE2 H 1 2.076 0.005 . 1 . . . . . . . . 5650 1
992 . 1 1 78 78 LYS HE3 H 1 2.303 0.005 . 1 . . . . . . . . 5650 1
993 . 1 1 78 78 LYS HB2 H 1 1.436 0.005 . 1 . . . . . . . . 5650 1
994 . 1 1 78 78 LYS HB3 H 1 1.436 0.005 . 1 . . . . . . . . 5650 1
995 . 1 1 79 79 ALA N N 15 123.021 0.050 . 1 . . . . . . . . 5650 1
996 . 1 1 79 79 ALA H H 1 9.490 0.005 . 1 . . . . . . . . 5650 1
997 . 1 1 79 79 ALA CA C 13 47.873 0.050 . 1 . . . . . . . . 5650 1
998 . 1 1 79 79 ALA HA H 1 5.363 0.005 . 1 . . . . . . . . 5650 1
999 . 1 1 79 79 ALA C C 13 177.170 0.050 . 1 . . . . . . . . 5650 1
1000 . 1 1 79 79 ALA CB C 13 21.614 0.050 . 1 . . . . . . . . 5650 1
1001 . 1 1 79 79 ALA HB1 H 1 1.295 0.005 . 1 . . . . . . . . 5650 1
1002 . 1 1 79 79 ALA HB2 H 1 1.295 0.005 . 1 . . . . . . . . 5650 1
1003 . 1 1 79 79 ALA HB3 H 1 1.295 0.005 . 1 . . . . . . . . 5650 1
1004 . 1 1 80 80 ILE N N 15 122.894 0.050 . 1 . . . . . . . . 5650 1
1005 . 1 1 80 80 ILE H H 1 9.173 0.005 . 1 . . . . . . . . 5650 1
1006 . 1 1 80 80 ILE CA C 13 58.967 0.050 . 1 . . . . . . . . 5650 1
1007 . 1 1 80 80 ILE HA H 1 4.731 0.005 . 1 . . . . . . . . 5650 1
1008 . 1 1 80 80 ILE C C 13 176.134 0.050 . 1 . . . . . . . . 5650 1
1009 . 1 1 80 80 ILE CB C 13 37.374 0.050 . 1 . . . . . . . . 5650 1
1010 . 1 1 80 80 ILE HB H 1 1.726 0.005 . 1 . . . . . . . . 5650 1
1011 . 1 1 80 80 ILE CG1 C 13 25.974 0.050 . 1 . . . . . . . . 5650 1
1012 . 1 1 80 80 ILE HG12 H 1 1.192 0.005 . 2 . . . . . . . . 5650 1
1013 . 1 1 80 80 ILE HG13 H 1 1.409 0.005 . 2 . . . . . . . . 5650 1
1014 . 1 1 80 80 ILE CG2 C 13 16.271 0.050 . 1 . . . . . . . . 5650 1
1015 . 1 1 80 80 ILE HG21 H 1 0.777 0.005 . 1 . . . . . . . . 5650 1
1016 . 1 1 80 80 ILE HG22 H 1 0.777 0.005 . 1 . . . . . . . . 5650 1
1017 . 1 1 80 80 ILE HG23 H 1 0.777 0.005 . 1 . . . . . . . . 5650 1
1018 . 1 1 80 80 ILE CD1 C 13 12.075 0.050 . 1 . . . . . . . . 5650 1
1019 . 1 1 80 80 ILE HD11 H 1 0.790 0.005 . 1 . . . . . . . . 5650 1
1020 . 1 1 80 80 ILE HD12 H 1 0.790 0.005 . 1 . . . . . . . . 5650 1
1021 . 1 1 80 80 ILE HD13 H 1 0.790 0.005 . 1 . . . . . . . . 5650 1
1022 . 1 1 81 81 VAL N N 15 127.144 0.050 . 1 . . . . . . . . 5650 1
1023 . 1 1 81 81 VAL H H 1 9.634 0.005 . 1 . . . . . . . . 5650 1
1024 . 1 1 81 81 VAL CA C 13 58.236 0.050 . 1 . . . . . . . . 5650 1
1025 . 1 1 81 81 VAL HA H 1 4.906 0.005 . 1 . . . . . . . . 5650 1
1026 . 1 1 81 81 VAL C C 13 178.773 0.050 . 1 . . . . . . . . 5650 1
1027 . 1 1 81 81 VAL CB C 13 31.868 0.050 . 1 . . . . . . . . 5650 1
1028 . 1 1 81 81 VAL HB H 1 2.400 0.005 . 1 . . . . . . . . 5650 1
1029 . 1 1 81 81 VAL CG1 C 13 20.548 0.050 . 2 . . . . . . . . 5650 1
1030 . 1 1 81 81 VAL HG11 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
1031 . 1 1 81 81 VAL HG12 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
1032 . 1 1 81 81 VAL HG13 H 1 1.063 0.005 . 2 . . . . . . . . 5650 1
1033 . 1 1 81 81 VAL CG2 C 13 18.981 0.050 . 2 . . . . . . . . 5650 1
1034 . 1 1 81 81 VAL HG21 H 1 1.120 0.005 . 2 . . . . . . . . 5650 1
1035 . 1 1 81 81 VAL HG22 H 1 1.120 0.005 . 2 . . . . . . . . 5650 1
1036 . 1 1 81 81 VAL HG23 H 1 1.120 0.005 . 2 . . . . . . . . 5650 1
1037 . 1 1 82 82 GLN N N 15 126.481 0.050 . 1 . . . . . . . . 5650 1
1038 . 1 1 82 82 GLN H H 1 8.977 0.005 . 1 . . . . . . . . 5650 1
1039 . 1 1 82 82 GLN CA C 13 51.523 0.050 . 1 . . . . . . . . 5650 1
1040 . 1 1 82 82 GLN HA H 1 5.493 0.005 . 1 . . . . . . . . 5650 1
1041 . 1 1 82 82 GLN C C 13 175.711 0.050 . 1 . . . . . . . . 5650 1
1042 . 1 1 82 82 GLN CB C 13 29.263 0.050 . 1 . . . . . . . . 5650 1
1043 . 1 1 82 82 GLN HB2 H 1 1.879 0.005 . 2 . . . . . . . . 5650 1
1044 . 1 1 82 82 GLN HB3 H 1 2.118 0.005 . 2 . . . . . . . . 5650 1
1045 . 1 1 82 82 GLN CG C 13 31.480 0.050 . 1 . . . . . . . . 5650 1
1046 . 1 1 82 82 GLN HG2 H 1 2.271 0.005 . 2 . . . . . . . . 5650 1
1047 . 1 1 82 82 GLN HG3 H 1 2.454 0.005 . 2 . . . . . . . . 5650 1
1048 . 1 1 82 82 GLN NE2 N 15 112.314 0.050 . 1 . . . . . . . . 5650 1
1049 . 1 1 82 82 GLN HE21 H 1 7.173 0.005 . 1 . . . . . . . . 5650 1
1050 . 1 1 82 82 GLN HE22 H 1 7.719 0.005 . 1 . . . . . . . . 5650 1
1051 . 1 1 83 83 VAL N N 15 122.038 0.050 . 1 . . . . . . . . 5650 1
1052 . 1 1 83 83 VAL H H 1 9.069 0.005 . 1 . . . . . . . . 5650 1
1053 . 1 1 83 83 VAL CA C 13 57.974 0.050 . 1 . . . . . . . . 5650 1
1054 . 1 1 83 83 VAL HA H 1 5.272 0.005 . 1 . . . . . . . . 5650 1
1055 . 1 1 83 83 VAL C C 13 176.892 0.050 . 1 . . . . . . . . 5650 1
1056 . 1 1 83 83 VAL CB C 13 31.129 0.050 . 1 . . . . . . . . 5650 1
1057 . 1 1 83 83 VAL HB H 1 2.581 0.005 . 1 . . . . . . . . 5650 1
1058 . 1 1 83 83 VAL CG1 C 13 20.159 0.050 . 2 . . . . . . . . 5650 1
1059 . 1 1 83 83 VAL HG11 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
1060 . 1 1 83 83 VAL HG12 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
1061 . 1 1 83 83 VAL HG13 H 1 0.944 0.005 . 2 . . . . . . . . 5650 1
1062 . 1 1 83 83 VAL CG2 C 13 17.958 0.050 . 2 . . . . . . . . 5650 1
1063 . 1 1 83 83 VAL HG21 H 1 1.177 0.005 . 2 . . . . . . . . 5650 1
1064 . 1 1 83 83 VAL HG22 H 1 1.177 0.005 . 2 . . . . . . . . 5650 1
1065 . 1 1 83 83 VAL HG23 H 1 1.177 0.005 . 2 . . . . . . . . 5650 1
1066 . 1 1 84 84 ALA N N 15 123.975 0.050 . 1 . . . . . . . . 5650 1
1067 . 1 1 84 84 ALA H H 1 8.089 0.005 . 1 . . . . . . . . 5650 1
1068 . 1 1 84 84 ALA CA C 13 48.949 0.050 . 1 . . . . . . . . 5650 1
1069 . 1 1 84 84 ALA HA H 1 4.258 0.005 . 1 . . . . . . . . 5650 1
1070 . 1 1 84 84 ALA CB C 13 15.114 0.050 . 1 . . . . . . . . 5650 1
1071 . 1 1 84 84 ALA HB1 H 1 1.332 0.005 . 1 . . . . . . . . 5650 1
1072 . 1 1 84 84 ALA HB2 H 1 1.332 0.005 . 1 . . . . . . . . 5650 1
1073 . 1 1 84 84 ALA HB3 H 1 1.332 0.005 . 1 . . . . . . . . 5650 1
1074 . 1 1 85 85 PRO CA C 13 61.945 0.050 . 1 . . . . . . . . 5650 1
1075 . 1 1 85 85 PRO HA H 1 4.422 0.005 . 1 . . . . . . . . 5650 1
1076 . 1 1 85 85 PRO C C 13 174.156 0.050 . 1 . . . . . . . . 5650 1
1077 . 1 1 85 85 PRO CB C 13 29.498 0.050 . 1 . . . . . . . . 5650 1
1078 . 1 1 85 85 PRO HB2 H 1 1.944 0.005 . 2 . . . . . . . . 5650 1
1079 . 1 1 85 85 PRO HB3 H 1 2.374 0.005 . 2 . . . . . . . . 5650 1
1080 . 1 1 85 85 PRO CG C 13 25.612 0.050 . 1 . . . . . . . . 5650 1
1081 . 1 1 85 85 PRO HG2 H 1 2.112 0.005 . 2 . . . . . . . . 5650 1
1082 . 1 1 85 85 PRO HG3 H 1 2.193 0.005 . 2 . . . . . . . . 5650 1
1083 . 1 1 85 85 PRO CD C 13 48.398 0.050 . 1 . . . . . . . . 5650 1
1084 . 1 1 85 85 PRO HD2 H 1 3.656 0.005 . 2 . . . . . . . . 5650 1
1085 . 1 1 85 85 PRO HD3 H 1 3.860 0.005 . 2 . . . . . . . . 5650 1
1086 . 1 1 86 86 GLY N N 15 112.042 0.050 . 1 . . . . . . . . 5650 1
1087 . 1 1 86 86 GLY H H 1 8.734 0.005 . 1 . . . . . . . . 5650 1
1088 . 1 1 86 86 GLY CA C 13 43.224 0.050 . 1 . . . . . . . . 5650 1
1089 . 1 1 86 86 GLY HA2 H 1 3.744 0.005 . 1 . . . . . . . . 5650 1
1090 . 1 1 86 86 GLY HA3 H 1 4.319 0.005 . 1 . . . . . . . . 5650 1
1091 . 1 1 86 86 GLY C C 13 177.756 0.050 . 1 . . . . . . . . 5650 1
1092 . 1 1 87 87 GLN N N 15 119.084 0.050 . 1 . . . . . . . . 5650 1
1093 . 1 1 87 87 GLN H H 1 8.003 0.005 . 1 . . . . . . . . 5650 1
1094 . 1 1 87 87 GLN CA C 13 53.253 0.050 . 1 . . . . . . . . 5650 1
1095 . 1 1 87 87 GLN HA H 1 4.672 0.005 . 1 . . . . . . . . 5650 1
1096 . 1 1 87 87 GLN C C 13 177.457 0.050 . 1 . . . . . . . . 5650 1
1097 . 1 1 87 87 GLN CB C 13 27.699 0.050 . 1 . . . . . . . . 5650 1
1098 . 1 1 87 87 GLN HB2 H 1 2.039 0.005 . 2 . . . . . . . . 5650 1
1099 . 1 1 87 87 GLN HB3 H 1 2.357 0.005 . 2 . . . . . . . . 5650 1
1100 . 1 1 87 87 GLN CG C 13 32.532 0.050 . 1 . . . . . . . . 5650 1
1101 . 1 1 87 87 GLN NE2 N 15 108.520 0.050 . 1 . . . . . . . . 5650 1
1102 . 1 1 87 87 GLN HE21 H 1 6.395 0.005 . 1 . . . . . . . . 5650 1
1103 . 1 1 87 87 GLN HE22 H 1 7.448 0.005 . 1 . . . . . . . . 5650 1
1104 . 1 1 87 87 GLN HG2 H 1 2.360 0.005 . 1 . . . . . . . . 5650 1
1105 . 1 1 87 87 GLN HG3 H 1 2.360 0.005 . 1 . . . . . . . . 5650 1
1106 . 1 1 88 88 LYS N N 15 116.597 0.050 . 1 . . . . . . . . 5650 1
1107 . 1 1 88 88 LYS H H 1 8.297 0.005 . 1 . . . . . . . . 5650 1
1108 . 1 1 88 88 LYS CA C 13 52.594 0.050 . 1 . . . . . . . . 5650 1
1109 . 1 1 88 88 LYS HA H 1 4.696 0.005 . 1 . . . . . . . . 5650 1
1110 . 1 1 88 88 LYS C C 13 177.424 0.050 . 1 . . . . . . . . 5650 1
1111 . 1 1 88 88 LYS CB C 13 33.991 0.050 . 1 . . . . . . . . 5650 1
1112 . 1 1 88 88 LYS HB2 H 1 1.661 0.005 . 2 . . . . . . . . 5650 1
1113 . 1 1 88 88 LYS HB3 H 1 1.734 0.005 . 2 . . . . . . . . 5650 1
1114 . 1 1 88 88 LYS CG C 13 21.769 0.050 . 1 . . . . . . . . 5650 1
1115 . 1 1 88 88 LYS HG2 H 1 1.299 0.005 . 2 . . . . . . . . 5650 1
1116 . 1 1 88 88 LYS HG3 H 1 1.379 0.005 . 2 . . . . . . . . 5650 1
1117 . 1 1 88 88 LYS CD C 13 27.036 0.050 . 1 . . . . . . . . 5650 1
1118 . 1 1 88 88 LYS CE C 13 40.077 0.050 . 1 . . . . . . . . 5650 1
1119 . 1 1 88 88 LYS HD3 H 1 1.684 0.005 . 1 . . . . . . . . 5650 1
1120 . 1 1 88 88 LYS HE3 H 1 2.974 0.005 . 1 . . . . . . . . 5650 1
1121 . 1 1 88 88 LYS HD2 H 1 1.684 0.005 . 1 . . . . . . . . 5650 1
1122 . 1 1 88 88 LYS HE2 H 1 2.974 0.005 . 1 . . . . . . . . 5650 1
1123 . 1 1 89 89 ILE N N 15 118.419 0.050 . 1 . . . . . . . . 5650 1
1124 . 1 1 89 89 ILE H H 1 7.343 0.005 . 1 . . . . . . . . 5650 1
1125 . 1 1 89 89 ILE CA C 13 58.371 0.050 . 1 . . . . . . . . 5650 1
1126 . 1 1 89 89 ILE HA H 1 4.066 0.005 . 1 . . . . . . . . 5650 1
1127 . 1 1 89 89 ILE C C 13 176.119 0.050 . 1 . . . . . . . . 5650 1
1128 . 1 1 89 89 ILE CB C 13 33.850 0.050 . 1 . . . . . . . . 5650 1
1129 . 1 1 89 89 ILE HB H 1 0.678 0.005 . 1 . . . . . . . . 5650 1
1130 . 1 1 89 89 ILE CG1 C 13 25.131 0.050 . 1 . . . . . . . . 5650 1
1131 . 1 1 89 89 ILE HG12 H 1 0.407 0.005 . 2 . . . . . . . . 5650 1
1132 . 1 1 89 89 ILE HG13 H 1 0.808 0.005 . 2 . . . . . . . . 5650 1
1133 . 1 1 89 89 ILE CG2 C 13 15.931 0.050 . 1 . . . . . . . . 5650 1
1134 . 1 1 89 89 ILE HG21 H 1 0.207 0.005 . 1 . . . . . . . . 5650 1
1135 . 1 1 89 89 ILE HG22 H 1 0.207 0.005 . 1 . . . . . . . . 5650 1
1136 . 1 1 89 89 ILE HG23 H 1 0.207 0.005 . 1 . . . . . . . . 5650 1
1137 . 1 1 89 89 ILE CD1 C 13 9.757 0.050 . 1 . . . . . . . . 5650 1
1138 . 1 1 89 89 ILE HD11 H 1 -0.152 0.005 . 1 . . . . . . . . 5650 1
1139 . 1 1 89 89 ILE HD12 H 1 -0.152 0.005 . 1 . . . . . . . . 5650 1
1140 . 1 1 89 89 ILE HD13 H 1 -0.152 0.005 . 1 . . . . . . . . 5650 1
1141 . 1 1 90 90 GLU N N 15 128.594 0.050 . 1 . . . . . . . . 5650 1
1142 . 1 1 90 90 GLU H H 1 8.507 0.005 . 1 . . . . . . . . 5650 1
1143 . 1 1 90 90 GLU CA C 13 57.630 0.050 . 1 . . . . . . . . 5650 1
1144 . 1 1 90 90 GLU HA H 1 3.909 0.005 . 1 . . . . . . . . 5650 1
1145 . 1 1 90 90 GLU C C 13 173.762 0.050 . 1 . . . . . . . . 5650 1
1146 . 1 1 90 90 GLU CB C 13 27.093 0.050 . 1 . . . . . . . . 5650 1
1147 . 1 1 90 90 GLU CG C 13 33.679 0.050 . 1 . . . . . . . . 5650 1
1148 . 1 1 90 90 GLU HG2 H 1 2.337 0.005 . 2 . . . . . . . . 5650 1
1149 . 1 1 90 90 GLU HG3 H 1 2.378 0.005 . 2 . . . . . . . . 5650 1
1150 . 1 1 90 90 GLU HB2 H 1 2.075 0.005 . 1 . . . . . . . . 5650 1
1151 . 1 1 90 90 GLU HB3 H 1 2.075 0.005 . 1 . . . . . . . . 5650 1
1152 . 1 1 91 91 ALA N N 15 119.713 0.050 . 1 . . . . . . . . 5650 1
1153 . 1 1 91 91 ALA H H 1 8.830 0.005 . 1 . . . . . . . . 5650 1
1154 . 1 1 91 91 ALA CA C 13 52.275 0.050 . 1 . . . . . . . . 5650 1
1155 . 1 1 91 91 ALA HA H 1 4.181 0.005 . 1 . . . . . . . . 5650 1
1156 . 1 1 91 91 ALA C C 13 173.749 0.050 . 1 . . . . . . . . 5650 1
1157 . 1 1 91 91 ALA CB C 13 16.853 0.050 . 1 . . . . . . . . 5650 1
1158 . 1 1 91 91 ALA HB1 H 1 1.522 0.005 . 1 . . . . . . . . 5650 1
1159 . 1 1 91 91 ALA HB2 H 1 1.522 0.005 . 1 . . . . . . . . 5650 1
1160 . 1 1 91 91 ALA HB3 H 1 1.522 0.005 . 1 . . . . . . . . 5650 1
1161 . 1 1 92 92 LEU N N 15 113.256 0.050 . 1 . . . . . . . . 5650 1
1162 . 1 1 92 92 LEU H H 1 6.800 0.005 . 1 . . . . . . . . 5650 1
1163 . 1 1 92 92 LEU CA C 13 53.384 0.050 . 1 . . . . . . . . 5650 1
1164 . 1 1 92 92 LEU HA H 1 4.363 0.005 . 1 . . . . . . . . 5650 1
1165 . 1 1 92 92 LEU C C 13 174.657 0.050 . 1 . . . . . . . . 5650 1
1166 . 1 1 92 92 LEU CB C 13 39.691 0.050 . 1 . . . . . . . . 5650 1
1167 . 1 1 92 92 LEU HB2 H 1 1.321 0.005 . 2 . . . . . . . . 5650 1
1168 . 1 1 92 92 LEU HB3 H 1 1.558 0.005 . 2 . . . . . . . . 5650 1
1169 . 1 1 92 92 LEU CG C 13 25.840 0.050 . 1 . . . . . . . . 5650 1
1170 . 1 1 92 92 LEU HG H 1 1.359 0.005 . 1 . . . . . . . . 5650 1
1171 . 1 1 92 92 LEU CD1 C 13 23.223 0.050 . 2 . . . . . . . . 5650 1
1172 . 1 1 92 92 LEU HD11 H 1 0.586 0.005 . 2 . . . . . . . . 5650 1
1173 . 1 1 92 92 LEU HD12 H 1 0.586 0.005 . 2 . . . . . . . . 5650 1
1174 . 1 1 92 92 LEU HD13 H 1 0.586 0.005 . 2 . . . . . . . . 5650 1
1175 . 1 1 92 92 LEU CD2 C 13 21.412 0.050 . 2 . . . . . . . . 5650 1
1176 . 1 1 92 92 LEU HD21 H 1 0.814 0.005 . 2 . . . . . . . . 5650 1
1177 . 1 1 92 92 LEU HD22 H 1 0.814 0.005 . 2 . . . . . . . . 5650 1
1178 . 1 1 92 92 LEU HD23 H 1 0.814 0.005 . 2 . . . . . . . . 5650 1
1179 . 1 1 93 93 GLU N N 15 117.272 0.050 . 1 . . . . . . . . 5650 1
1180 . 1 1 93 93 GLU H H 1 7.554 0.005 . 1 . . . . . . . . 5650 1
1181 . 1 1 93 93 GLU CA C 13 56.344 0.050 . 1 . . . . . . . . 5650 1
1182 . 1 1 93 93 GLU HA H 1 4.167 0.005 . 1 . . . . . . . . 5650 1
1183 . 1 1 93 93 GLU C C 13 174.302 0.050 . 1 . . . . . . . . 5650 1
1184 . 1 1 93 93 GLU CB C 13 27.124 0.050 . 1 . . . . . . . . 5650 1
1185 . 1 1 93 93 GLU HB2 H 1 2.014 0.005 . 2 . . . . . . . . 5650 1
1186 . 1 1 93 93 GLU HB3 H 1 2.223 0.005 . 2 . . . . . . . . 5650 1
1187 . 1 1 93 93 GLU CG C 13 33.757 0.050 . 1 . . . . . . . . 5650 1
1188 . 1 1 93 93 GLU HG2 H 1 2.196 0.005 . 2 . . . . . . . . 5650 1
1189 . 1 1 93 93 GLU HG3 H 1 2.391 0.005 . 2 . . . . . . . . 5650 1
1190 . 1 1 94 94 GLY N N 15 104.531 0.050 . 1 . . . . . . . . 5650 1
1191 . 1 1 94 94 GLY H H 1 8.024 0.005 . 1 . . . . . . . . 5650 1
1192 . 1 1 94 94 GLY CA C 13 43.426 0.050 . 1 . . . . . . . . 5650 1
1193 . 1 1 94 94 GLY HA2 H 1 3.910 0.005 . 1 . . . . . . . . 5650 1
1194 . 1 1 94 94 GLY HA3 H 1 4.090 0.005 . 1 . . . . . . . . 5650 1
1195 . 1 1 94 94 GLY C C 13 177.850 0.050 . 1 . . . . . . . . 5650 1
1196 . 1 1 95 95 LEU N N 15 119.193 0.050 . 1 . . . . . . . . 5650 1
1197 . 1 1 95 95 LEU H H 1 7.561 0.005 . 1 . . . . . . . . 5650 1
1198 . 1 1 95 95 LEU CA C 13 53.169 0.050 . 1 . . . . . . . . 5650 1
1199 . 1 1 95 95 LEU HA H 1 4.162 0.005 . 1 . . . . . . . . 5650 1
1200 . 1 1 95 95 LEU C C 13 176.171 0.050 . 1 . . . . . . . . 5650 1
1201 . 1 1 95 95 LEU CB C 13 40.537 0.050 . 1 . . . . . . . . 5650 1
1202 . 1 1 95 95 LEU HB2 H 1 1.439 0.005 . 2 . . . . . . . . 5650 1
1203 . 1 1 95 95 LEU HB3 H 1 1.799 0.005 . 2 . . . . . . . . 5650 1
1204 . 1 1 95 95 LEU CG C 13 24.401 0.050 . 1 . . . . . . . . 5650 1
1205 . 1 1 95 95 LEU HG H 1 1.767 0.005 . 1 . . . . . . . . 5650 1
1206 . 1 1 95 95 LEU CD1 C 13 20.486 0.050 . 2 . . . . . . . . 5650 1
1207 . 1 1 95 95 LEU HD11 H 1 0.712 0.005 . 2 . . . . . . . . 5650 1
1208 . 1 1 95 95 LEU HD12 H 1 0.712 0.005 . 2 . . . . . . . . 5650 1
1209 . 1 1 95 95 LEU HD13 H 1 0.712 0.005 . 2 . . . . . . . . 5650 1
1210 . 1 1 95 95 LEU CD2 C 13 23.835 0.050 . 2 . . . . . . . . 5650 1
1211 . 1 1 95 95 LEU HD21 H 1 0.970 0.005 . 2 . . . . . . . . 5650 1
1212 . 1 1 95 95 LEU HD22 H 1 0.970 0.005 . 2 . . . . . . . . 5650 1
1213 . 1 1 95 95 LEU HD23 H 1 0.970 0.005 . 2 . . . . . . . . 5650 1
1214 . 1 1 96 96 ILE N N 15 121.144 0.050 . 1 . . . . . . . . 5650 1
1215 . 1 1 96 96 ILE H H 1 7.088 0.005 . 1 . . . . . . . . 5650 1
1216 . 1 1 96 96 ILE CA C 13 60.318 0.050 . 1 . . . . . . . . 5650 1
1217 . 1 1 96 96 ILE HA H 1 3.942 0.005 . 1 . . . . . . . . 5650 1
1218 . 1 1 96 96 ILE CB C 13 37.386 0.050 . 1 . . . . . . . . 5650 1
1219 . 1 1 96 96 ILE HB H 1 1.711 0.005 . 1 . . . . . . . . 5650 1
1220 . 1 1 96 96 ILE CG1 C 13 25.186 0.050 . 1 . . . . . . . . 5650 1
1221 . 1 1 96 96 ILE HG12 H 1 1.034 0.005 . 2 . . . . . . . . 5650 1
1222 . 1 1 96 96 ILE HG13 H 1 1.377 0.005 . 2 . . . . . . . . 5650 1
1223 . 1 1 96 96 ILE CG2 C 13 15.880 0.050 . 1 . . . . . . . . 5650 1
1224 . 1 1 96 96 ILE HG21 H 1 0.711 0.005 . 1 . . . . . . . . 5650 1
1225 . 1 1 96 96 ILE HG22 H 1 0.711 0.005 . 1 . . . . . . . . 5650 1
1226 . 1 1 96 96 ILE HG23 H 1 0.711 0.005 . 1 . . . . . . . . 5650 1
1227 . 1 1 96 96 ILE CD1 C 13 11.758 0.050 . 1 . . . . . . . . 5650 1
1228 . 1 1 96 96 ILE HD11 H 1 0.779 0.005 . 1 . . . . . . . . 5650 1
1229 . 1 1 96 96 ILE HD12 H 1 0.779 0.005 . 1 . . . . . . . . 5650 1
1230 . 1 1 96 96 ILE HD13 H 1 0.779 0.005 . 1 . . . . . . . . 5650 1
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