Content for NMR-STAR saveframe, "Assignment"
save_Assignment
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Assignment
_Assigned_chem_shift_list.Entry_ID 17239
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $NMR_Standard_Conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '3D HCCH-COSY' . . . 17239 1
2 '3D HNCA' . . . 17239 1
3 '3D 1H-13C NOESY' . . . 17239 1
5 '3D 1H-15N TOCSY' . . . 17239 1
6 '3D HNHB' . . . 17239 1
7 '3D 1H-15N NOESY' . . . 17239 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 GLY HA2 H 1 3.902 0.020 . 2 . . . . 4 G QA . 17239 1
2 . 1 1 1 1 GLY HA3 H 1 3.902 0.020 . 2 . . . . 4 G QA . 17239 1
3 . 1 1 1 1 GLY CA C 13 43.390 0.300 . 1 . . . . 4 G CA . 17239 1
4 . 1 1 2 2 SER HA H 1 4.545 0.020 . 1 . . . . 5 S HA . 17239 1
5 . 1 1 2 2 SER HB2 H 1 3.852 0.020 . 2 . . . . 5 S QB . 17239 1
6 . 1 1 2 2 SER HB3 H 1 3.852 0.020 . 2 . . . . 5 S QB . 17239 1
7 . 1 1 2 2 SER CA C 13 58.200 0.300 . 1 . . . . 5 S CA . 17239 1
8 . 1 1 2 2 SER CB C 13 64.032 0.300 . 1 . . . . 5 S CB . 17239 1
9 . 1 1 3 3 ILE H H 1 8.395 0.020 . 1 . . . . 6 I HN . 17239 1
10 . 1 1 3 3 ILE HA H 1 4.187 0.020 . 1 . . . . 6 I HA . 17239 1
11 . 1 1 3 3 ILE HB H 1 1.853 0.020 . 1 . . . . 6 I HB . 17239 1
12 . 1 1 3 3 ILE HD11 H 1 0.867 0.020 . 1 . . . . 6 I QD1 . 17239 1
13 . 1 1 3 3 ILE HD12 H 1 0.867 0.020 . 1 . . . . 6 I QD1 . 17239 1
14 . 1 1 3 3 ILE HD13 H 1 0.867 0.020 . 1 . . . . 6 I QD1 . 17239 1
15 . 1 1 3 3 ILE HG12 H 1 1.481 0.020 . 1 . . . . 6 I HG12 . 17239 1
16 . 1 1 3 3 ILE HG13 H 1 1.189 0.020 . 1 . . . . 6 I HG13 . 17239 1
17 . 1 1 3 3 ILE HG21 H 1 0.896 0.020 . 1 . . . . 6 I QG2 . 17239 1
18 . 1 1 3 3 ILE HG22 H 1 0.896 0.020 . 1 . . . . 6 I QG2 . 17239 1
19 . 1 1 3 3 ILE HG23 H 1 0.896 0.020 . 1 . . . . 6 I QG2 . 17239 1
20 . 1 1 3 3 ILE CA C 13 61.159 0.300 . 1 . . . . 6 I CA . 17239 1
21 . 1 1 3 3 ILE CB C 13 38.757 0.300 . 1 . . . . 6 I CB . 17239 1
22 . 1 1 3 3 ILE CD1 C 13 12.970 0.300 . 1 . . . . 6 I CD1 . 17239 1
23 . 1 1 3 3 ILE CG1 C 13 27.366 0.300 . 1 . . . . 6 I CG1 . 17239 1
24 . 1 1 3 3 ILE CG2 C 13 17.423 0.300 . 1 . . . . 6 I CG2 . 17239 1
25 . 1 1 3 3 ILE N N 15 122.671 0.300 . 1 . . . . 6 I N . 17239 1
26 . 1 1 4 4 LYS H H 1 8.518 0.020 . 1 . . . . 7 K HN . 17239 1
27 . 1 1 4 4 LYS HA H 1 4.318 0.020 . 1 . . . . 7 K HA . 17239 1
28 . 1 1 4 4 LYS HB2 H 1 1.793 0.020 . 2 . . . . 7 K HB2 . 17239 1
29 . 1 1 4 4 LYS HB3 H 1 1.738 0.020 . 2 . . . . 7 K HB3 . 17239 1
30 . 1 1 4 4 LYS HD2 H 1 1.682 0.020 . 2 . . . . 7 K QD . 17239 1
31 . 1 1 4 4 LYS HD3 H 1 1.682 0.020 . 2 . . . . 7 K QD . 17239 1
32 . 1 1 4 4 LYS HE2 H 1 2.998 0.020 . 2 . . . . 7 K QE . 17239 1
33 . 1 1 4 4 LYS HE3 H 1 2.998 0.020 . 2 . . . . 7 K QE . 17239 1
34 . 1 1 4 4 LYS HG2 H 1 1.445 0.020 . 2 . . . . 7 K HG2 . 17239 1
35 . 1 1 4 4 LYS HG3 H 1 1.413 0.020 . 2 . . . . 7 K HG3 . 17239 1
36 . 1 1 4 4 LYS CA C 13 56.071 0.300 . 1 . . . . 7 K CA . 17239 1
37 . 1 1 4 4 LYS CB C 13 33.025 0.300 . 1 . . . . 7 K CB . 17239 1
38 . 1 1 4 4 LYS CD C 13 29.133 0.300 . 1 . . . . 7 K CD . 17239 1
39 . 1 1 4 4 LYS CE C 13 42.138 0.300 . 1 . . . . 7 K CE . 17239 1
40 . 1 1 4 4 LYS CG C 13 24.708 0.300 . 1 . . . . 7 K CG . 17239 1
41 . 1 1 4 4 LYS N N 15 126.342 0.300 . 1 . . . . 7 K N . 17239 1
42 . 1 1 5 5 ARG H H 1 8.524 0.020 . 1 . . . . 8 R HN . 17239 1
43 . 1 1 5 5 ARG HA H 1 4.305 0.020 . 1 . . . . 8 R HA . 17239 1
44 . 1 1 5 5 ARG HB2 H 1 1.850 0.020 . 2 . . . . 8 R HB2 . 17239 1
45 . 1 1 5 5 ARG HB3 H 1 1.766 0.020 . 2 . . . . 8 R HB3 . 17239 1
46 . 1 1 5 5 ARG HD2 H 1 3.204 0.020 . 2 . . . . 8 R QD . 17239 1
47 . 1 1 5 5 ARG HD3 H 1 3.204 0.020 . 2 . . . . 8 R QD . 17239 1
48 . 1 1 5 5 ARG HE H 1 7.422 0.020 . 1 . . . . 8 R HE . 17239 1
49 . 1 1 5 5 ARG HG2 H 1 1.652 0.020 . 2 . . . . 8 R HG2 . 17239 1
50 . 1 1 5 5 ARG HG3 H 1 1.614 0.020 . 2 . . . . 8 R HG3 . 17239 1
51 . 1 1 5 5 ARG CA C 13 56.047 0.300 . 1 . . . . 8 R CA . 17239 1
52 . 1 1 5 5 ARG CB C 13 31.078 0.300 . 1 . . . . 8 R CB . 17239 1
53 . 1 1 5 5 ARG CD C 13 43.347 0.300 . 1 . . . . 8 R CD . 17239 1
54 . 1 1 5 5 ARG CG C 13 27.166 0.300 . 1 . . . . 8 R CG . 17239 1
55 . 1 1 5 5 ARG N N 15 123.678 0.300 . 1 . . . . 8 R N . 17239 1
56 . 1 1 5 5 ARG NE N 15 84.184 0.300 . 1 . . . . 8 R NE . 17239 1
57 . 1 1 6 6 LYS H H 1 8.580 0.020 . 1 . . . . 9 K HN . 17239 1
58 . 1 1 6 6 LYS HA H 1 4.273 0.020 . 1 . . . . 9 K HA . 17239 1
59 . 1 1 6 6 LYS HB2 H 1 1.819 0.020 . 2 . . . . 9 K HB2 . 17239 1
60 . 1 1 6 6 LYS HB3 H 1 1.762 0.020 . 2 . . . . 9 K HB3 . 17239 1
61 . 1 1 6 6 LYS HD2 H 1 1.682 0.020 . 2 . . . . 9 K QD . 17239 1
62 . 1 1 6 6 LYS HD3 H 1 1.682 0.020 . 2 . . . . 9 K QD . 17239 1
63 . 1 1 6 6 LYS HE2 H 1 2.999 0.020 . 2 . . . . 9 K QE . 17239 1
64 . 1 1 6 6 LYS HE3 H 1 2.999 0.020 . 2 . . . . 9 K QE . 17239 1
65 . 1 1 6 6 LYS HG2 H 1 1.447 0.020 . 2 . . . . 9 K HG2 . 17239 1
66 . 1 1 6 6 LYS HG3 H 1 1.413 0.020 . 2 . . . . 9 K HG3 . 17239 1
67 . 1 1 6 6 LYS CA C 13 56.576 0.300 . 1 . . . . 9 K CA . 17239 1
68 . 1 1 6 6 LYS CB C 13 32.988 0.300 . 1 . . . . 9 K CB . 17239 1
69 . 1 1 6 6 LYS CD C 13 29.105 0.300 . 1 . . . . 9 K CD . 17239 1
70 . 1 1 6 6 LYS CE C 13 41.970 0.300 . 1 . . . . 9 K CE . 17239 1
71 . 1 1 6 6 LYS CG C 13 24.636 0.300 . 1 . . . . 9 K CG . 17239 1
72 . 1 1 6 6 LYS N N 15 123.315 0.300 . 1 . . . . 9 K N . 17239 1
73 . 1 1 7 7 ASP H H 1 8.449 0.020 . 1 . . . . 10 D HN . 17239 1
74 . 1 1 7 7 ASP HA H 1 4.563 0.020 . 1 . . . . 10 D HA . 17239 1
75 . 1 1 7 7 ASP HB2 H 1 2.683 0.020 . 2 . . . . 10 D HB2 . 17239 1
76 . 1 1 7 7 ASP HB3 H 1 2.607 0.020 . 2 . . . . 10 D HB3 . 17239 1
77 . 1 1 7 7 ASP CA C 13 54.199 0.300 . 1 . . . . 10 D CA . 17239 1
78 . 1 1 7 7 ASP CB C 13 41.045 0.300 . 1 . . . . 10 D CB . 17239 1
79 . 1 1 7 7 ASP N N 15 121.108 0.300 . 1 . . . . 10 D N . 17239 1
80 . 1 1 8 8 ALA H H 1 8.189 0.020 . 1 . . . . 11 A HN . 17239 1
81 . 1 1 8 8 ALA HA H 1 4.382 0.020 . 1 . . . . 11 A HA . 17239 1
82 . 1 1 8 8 ALA HB1 H 1 1.361 0.020 . 1 . . . . 11 A QB . 17239 1
83 . 1 1 8 8 ALA HB2 H 1 1.361 0.020 . 1 . . . . 11 A QB . 17239 1
84 . 1 1 8 8 ALA HB3 H 1 1.361 0.020 . 1 . . . . 11 A QB . 17239 1
85 . 1 1 8 8 ALA CA C 13 52.050 0.300 . 1 . . . . 11 A CA . 17239 1
86 . 1 1 8 8 ALA CB C 13 19.720 0.300 . 1 . . . . 11 A CB . 17239 1
87 . 1 1 8 8 ALA N N 15 123.848 0.300 . 1 . . . . 11 A N . 17239 1
88 . 1 1 9 9 SER H H 1 8.532 0.020 . 1 . . . . 12 S HN . 17239 1
89 . 1 1 9 9 SER HA H 1 4.743 0.020 . 1 . . . . 12 S HA . 17239 1
90 . 1 1 9 9 SER HB2 H 1 4.135 0.020 . 2 . . . . 12 S HB2 . 17239 1
91 . 1 1 9 9 SER HB3 H 1 3.941 0.020 . 2 . . . . 12 S HB3 . 17239 1
92 . 1 1 9 9 SER CA C 13 56.507 0.300 . 1 . . . . 12 S CA . 17239 1
93 . 1 1 9 9 SER CB C 13 63.166 0.300 . 1 . . . . 12 S CB . 17239 1
94 . 1 1 9 9 SER N N 15 117.014 0.300 . 1 . . . . 12 S N . 17239 1
95 . 1 1 10 10 PRO HA H 1 4.370 0.020 . 1 . . . . 13 P HA . 17239 1
96 . 1 1 10 10 PRO HB2 H 1 2.368 0.020 . 2 . . . . 13 P HB2 . 17239 1
97 . 1 1 10 10 PRO HB3 H 1 1.860 0.020 . 2 . . . . 13 P HB3 . 17239 1
98 . 1 1 10 10 PRO HD2 H 1 3.823 0.020 . 2 . . . . 13 P HD2 . 17239 1
99 . 1 1 10 10 PRO HD3 H 1 3.772 0.020 . 2 . . . . 13 P HD3 . 17239 1
100 . 1 1 10 10 PRO HG2 H 1 2.073 0.020 . 2 . . . . 13 P HG2 . 17239 1
101 . 1 1 10 10 PRO HG3 H 1 2.017 0.020 . 2 . . . . 13 P HG3 . 17239 1
102 . 1 1 10 10 PRO CA C 13 65.109 0.300 . 1 . . . . 13 P CA . 17239 1
103 . 1 1 10 10 PRO CB C 13 31.829 0.300 . 1 . . . . 13 P CB . 17239 1
104 . 1 1 10 10 PRO CD C 13 50.608 0.300 . 1 . . . . 13 P CD . 17239 1
105 . 1 1 10 10 PRO CG C 13 27.815 0.300 . 1 . . . . 13 P CG . 17239 1
106 . 1 1 11 11 GLU H H 1 8.243 0.020 . 1 . . . . 14 E HN . 17239 1
107 . 1 1 11 11 GLU HA H 1 3.744 0.020 . 1 . . . . 14 E HA . 17239 1
108 . 1 1 11 11 GLU HB2 H 1 1.627 0.020 . 2 . . . . 14 E HB2 . 17239 1
109 . 1 1 11 11 GLU HB3 H 1 1.396 0.020 . 2 . . . . 14 E HB3 . 17239 1
110 . 1 1 11 11 GLU HG2 H 1 1.317 0.020 . 2 . . . . 14 E HG2 . 17239 1
111 . 1 1 11 11 GLU HG3 H 1 0.842 0.020 . 2 . . . . 14 E HG3 . 17239 1
112 . 1 1 11 11 GLU CA C 13 59.815 0.300 . 1 . . . . 14 E CA . 17239 1
113 . 1 1 11 11 GLU CB C 13 29.050 0.300 . 1 . . . . 14 E CB . 17239 1
114 . 1 1 11 11 GLU CG C 13 35.761 0.300 . 1 . . . . 14 E CG . 17239 1
115 . 1 1 11 11 GLU N N 15 118.079 0.300 . 1 . . . . 14 E N . 17239 1
116 . 1 1 12 12 GLN H H 1 7.777 0.020 . 1 . . . . 15 Q HN . 17239 1
117 . 1 1 12 12 GLN HA H 1 3.983 0.020 . 1 . . . . 15 Q HA . 17239 1
118 . 1 1 12 12 GLN HB2 H 1 2.106 0.020 . 2 . . . . 15 Q HB2 . 17239 1
119 . 1 1 12 12 GLN HB3 H 1 2.196 0.020 . 2 . . . . 15 Q HB3 . 17239 1
120 . 1 1 12 12 GLN HE21 H 1 7.894 0.020 . 2 . . . . 15 Q HE21 . 17239 1
121 . 1 1 12 12 GLN HE22 H 1 6.903 0.020 . 2 . . . . 15 Q HE22 . 17239 1
122 . 1 1 12 12 GLN HG2 H 1 2.435 0.020 . 2 . . . . 15 Q QG . 17239 1
123 . 1 1 12 12 GLN HG3 H 1 2.435 0.020 . 2 . . . . 15 Q QG . 17239 1
124 . 1 1 12 12 GLN CA C 13 58.720 0.300 . 1 . . . . 15 Q CA . 17239 1
125 . 1 1 12 12 GLN CB C 13 27.913 0.300 . 1 . . . . 15 Q CB . 17239 1
126 . 1 1 12 12 GLN CG C 13 33.365 0.300 . 1 . . . . 15 Q CG . 17239 1
127 . 1 1 12 12 GLN N N 15 118.523 0.300 . 1 . . . . 15 Q N . 17239 1
128 . 1 1 12 12 GLN NE2 N 15 112.159 0.300 . 1 . . . . 15 Q NE2 . 17239 1
129 . 1 1 13 13 GLU H H 1 8.363 0.020 . 1 . . . . 16 E HN . 17239 1
130 . 1 1 13 13 GLU HA H 1 4.063 0.020 . 1 . . . . 16 E HA . 17239 1
131 . 1 1 13 13 GLU HB2 H 1 2.085 0.020 . 2 . . . . 16 E QB . 17239 1
132 . 1 1 13 13 GLU HB3 H 1 2.085 0.020 . 2 . . . . 16 E QB . 17239 1
133 . 1 1 13 13 GLU HG2 H 1 2.399 0.020 . 2 . . . . 16 E HG2 . 17239 1
134 . 1 1 13 13 GLU HG3 H 1 2.229 0.020 . 2 . . . . 16 E HG3 . 17239 1
135 . 1 1 13 13 GLU CA C 13 59.508 0.300 . 1 . . . . 16 E CA . 17239 1
136 . 1 1 13 13 GLU CB C 13 29.593 0.300 . 1 . . . . 16 E CB . 17239 1
137 . 1 1 13 13 GLU CG C 13 36.571 0.300 . 1 . . . . 16 E CG . 17239 1
138 . 1 1 13 13 GLU N N 15 118.531 0.300 . 1 . . . . 16 E N . 17239 1
139 . 1 1 14 14 ALA H H 1 8.004 0.020 . 1 . . . . 17 A HN . 17239 1
140 . 1 1 14 14 ALA HA H 1 4.311 0.020 . 1 . . . . 17 A HA . 17239 1
141 . 1 1 14 14 ALA HB1 H 1 1.845 0.020 . 1 . . . . 17 A QB . 17239 1
142 . 1 1 14 14 ALA HB2 H 1 1.845 0.020 . 1 . . . . 17 A QB . 17239 1
143 . 1 1 14 14 ALA HB3 H 1 1.845 0.020 . 1 . . . . 17 A QB . 17239 1
144 . 1 1 14 14 ALA CA C 13 55.525 0.300 . 1 . . . . 17 A CA . 17239 1
145 . 1 1 14 14 ALA CB C 13 18.435 0.300 . 1 . . . . 17 A CB . 17239 1
146 . 1 1 14 14 ALA N N 15 122.294 0.300 . 1 . . . . 17 A N . 17239 1
147 . 1 1 15 15 ILE H H 1 8.479 0.020 . 1 . . . . 18 I HN . 17239 1
148 . 1 1 15 15 ILE HA H 1 3.440 0.020 . 1 . . . . 18 I HA . 17239 1
149 . 1 1 15 15 ILE HB H 1 2.077 0.020 . 1 . . . . 18 I HB . 17239 1
150 . 1 1 15 15 ILE HD11 H 1 1.008 0.020 . 1 . . . . 18 I QD1 . 17239 1
151 . 1 1 15 15 ILE HD12 H 1 1.008 0.020 . 1 . . . . 18 I QD1 . 17239 1
152 . 1 1 15 15 ILE HD13 H 1 1.008 0.020 . 1 . . . . 18 I QD1 . 17239 1
153 . 1 1 15 15 ILE HG12 H 1 2.132 0.020 . 1 . . . . 18 I HG12 . 17239 1
154 . 1 1 15 15 ILE HG13 H 1 0.814 0.020 . 1 . . . . 18 I HG13 . 17239 1
155 . 1 1 15 15 ILE HG21 H 1 0.979 0.020 . 1 . . . . 18 I QG2 . 17239 1
156 . 1 1 15 15 ILE HG22 H 1 0.979 0.020 . 1 . . . . 18 I QG2 . 17239 1
157 . 1 1 15 15 ILE HG23 H 1 0.979 0.020 . 1 . . . . 18 I QG2 . 17239 1
158 . 1 1 15 15 ILE CA C 13 65.791 0.300 . 1 . . . . 18 I CA . 17239 1
159 . 1 1 15 15 ILE CB C 13 38.305 0.300 . 1 . . . . 18 I CB . 17239 1
160 . 1 1 15 15 ILE CD1 C 13 14.180 0.300 . 1 . . . . 18 I CD1 . 17239 1
161 . 1 1 15 15 ILE CG1 C 13 30.718 0.300 . 1 . . . . 18 I CG1 . 17239 1
162 . 1 1 15 15 ILE CG2 C 13 16.917 0.300 . 1 . . . . 18 I CG2 . 17239 1
163 . 1 1 15 15 ILE N N 15 118.979 0.300 . 1 . . . . 18 I N . 17239 1
164 . 1 1 16 16 GLU H H 1 8.654 0.020 . 1 . . . . 19 E HN . 17239 1
165 . 1 1 16 16 GLU HA H 1 4.091 0.020 . 1 . . . . 19 E HA . 17239 1
166 . 1 1 16 16 GLU HB2 H 1 2.175 0.020 . 2 . . . . 19 E HB2 . 17239 1
167 . 1 1 16 16 GLU HB3 H 1 2.124 0.020 . 2 . . . . 19 E HB3 . 17239 1
168 . 1 1 16 16 GLU HG2 H 1 2.511 0.020 . 2 . . . . 19 E HG2 . 17239 1
169 . 1 1 16 16 GLU HG3 H 1 2.338 0.020 . 2 . . . . 19 E HG3 . 17239 1
170 . 1 1 16 16 GLU CA C 13 59.758 0.300 . 1 . . . . 19 E CA . 17239 1
171 . 1 1 16 16 GLU CB C 13 28.941 0.300 . 1 . . . . 19 E CB . 17239 1
172 . 1 1 16 16 GLU CG C 13 36.462 0.300 . 1 . . . . 19 E CG . 17239 1
173 . 1 1 16 16 GLU N N 15 121.689 0.300 . 1 . . . . 19 E N . 17239 1
174 . 1 1 17 17 SER H H 1 8.471 0.020 . 1 . . . . 20 S HN . 17239 1
175 . 1 1 17 17 SER HA H 1 4.215 0.020 . 1 . . . . 20 S HA . 17239 1
176 . 1 1 17 17 SER HB2 H 1 4.104 0.020 . 2 . . . . 20 S HB2 . 17239 1
177 . 1 1 17 17 SER HB3 H 1 3.901 0.020 . 2 . . . . 20 S HB3 . 17239 1
178 . 1 1 17 17 SER CA C 13 61.836 0.300 . 1 . . . . 20 S CA . 17239 1
179 . 1 1 17 17 SER CB C 13 63.057 0.300 . 1 . . . . 20 S CB . 17239 1
180 . 1 1 17 17 SER N N 15 116.529 0.300 . 1 . . . . 20 S N . 17239 1
181 . 1 1 18 18 PHE H H 1 8.771 0.020 . 1 . . . . 21 F HN . 17239 1
182 . 1 1 18 18 PHE HA H 1 3.742 0.020 . 1 . . . . 21 F HA . 17239 1
183 . 1 1 18 18 PHE HB2 H 1 3.272 0.020 . 2 . . . . 21 F HB2 . 17239 1
184 . 1 1 18 18 PHE HB3 H 1 2.924 0.020 . 2 . . . . 21 F HB3 . 17239 1
185 . 1 1 18 18 PHE HD1 H 1 6.955 0.020 . 3 . . . . 21 F QD . 17239 1
186 . 1 1 18 18 PHE HD2 H 1 6.955 0.020 . 3 . . . . 21 F QD . 17239 1
187 . 1 1 18 18 PHE HE1 H 1 6.749 0.020 . 3 . . . . 21 F QE . 17239 1
188 . 1 1 18 18 PHE HE2 H 1 6.749 0.020 . 3 . . . . 21 F QE . 17239 1
189 . 1 1 18 18 PHE HZ H 1 6.416 0.020 . 1 . . . . 21 F HZ . 17239 1
190 . 1 1 18 18 PHE CA C 13 62.240 0.300 . 1 . . . . 21 F CA . 17239 1
191 . 1 1 18 18 PHE CB C 13 41.012 0.300 . 1 . . . . 21 F CB . 17239 1
192 . 1 1 18 18 PHE CD1 C 13 131.428 0.300 . 3 . . . . 21 F CD1 . 17239 1
193 . 1 1 18 18 PHE CE1 C 13 131.293 0.300 . 3 . . . . 21 F CE1 . 17239 1
194 . 1 1 18 18 PHE CZ C 13 129.424 0.300 . 1 . . . . 21 F CZ . 17239 1
195 . 1 1 18 18 PHE N N 15 121.956 0.300 . 1 . . . . 21 F N . 17239 1
196 . 1 1 19 19 THR H H 1 8.934 0.020 . 1 . . . . 22 T HN . 17239 1
197 . 1 1 19 19 THR HA H 1 3.996 0.020 . 1 . . . . 22 T HA . 17239 1
198 . 1 1 19 19 THR HB H 1 4.262 0.020 . 1 . . . . 22 T HB . 17239 1
199 . 1 1 19 19 THR HG21 H 1 1.340 0.020 . 1 . . . . 22 T QG2 . 17239 1
200 . 1 1 19 19 THR HG22 H 1 1.340 0.020 . 1 . . . . 22 T QG2 . 17239 1
201 . 1 1 19 19 THR HG23 H 1 1.340 0.020 . 1 . . . . 22 T QG2 . 17239 1
202 . 1 1 19 19 THR CA C 13 66.700 0.300 . 1 . . . . 22 T CA . 17239 1
203 . 1 1 19 19 THR CB C 13 69.632 0.300 . 1 . . . . 22 T CB . 17239 1
204 . 1 1 19 19 THR CG2 C 13 21.510 0.300 . 1 . . . . 22 T CG2 . 17239 1
205 . 1 1 19 19 THR N N 15 117.289 0.300 . 1 . . . . 22 T N . 17239 1
206 . 1 1 20 20 SER H H 1 8.244 0.020 . 1 . . . . 23 S HN . 17239 1
207 . 1 1 20 20 SER HA H 1 4.128 0.020 . 1 . . . . 23 S HA . 17239 1
208 . 1 1 20 20 SER HB2 H 1 3.983 0.020 . 2 . . . . 23 S HB2 . 17239 1
209 . 1 1 20 20 SER HB3 H 1 3.934 0.020 . 2 . . . . 23 S HB3 . 17239 1
210 . 1 1 20 20 SER CA C 13 61.378 0.300 . 1 . . . . 23 S CA . 17239 1
211 . 1 1 20 20 SER CB C 13 62.967 0.300 . 1 . . . . 23 S CB . 17239 1
212 . 1 1 20 20 SER N N 15 116.340 0.300 . 1 . . . . 23 S N . 17239 1
213 . 1 1 21 21 LEU H H 1 7.358 0.020 . 1 . . . . 24 L HN . 17239 1
214 . 1 1 21 21 LEU HA H 1 3.680 0.020 . 1 . . . . 24 L HA . 17239 1
215 . 1 1 21 21 LEU HB2 H 1 1.497 0.020 . 2 . . . . 24 L HB2 . 17239 1
216 . 1 1 21 21 LEU HB3 H 1 1.117 0.020 . 2 . . . . 24 L HB3 . 17239 1
217 . 1 1 21 21 LEU HD11 H 1 0.503 0.020 . 2 . . . . 24 L QD1 . 17239 1
218 . 1 1 21 21 LEU HD12 H 1 0.503 0.020 . 2 . . . . 24 L QD1 . 17239 1
219 . 1 1 21 21 LEU HD13 H 1 0.503 0.020 . 2 . . . . 24 L QD1 . 17239 1
220 . 1 1 21 21 LEU HD21 H 1 0.387 0.020 . 2 . . . . 24 L QD2 . 17239 1
221 . 1 1 21 21 LEU HD22 H 1 0.387 0.020 . 2 . . . . 24 L QD2 . 17239 1
222 . 1 1 21 21 LEU HD23 H 1 0.387 0.020 . 2 . . . . 24 L QD2 . 17239 1
223 . 1 1 21 21 LEU HG H 1 1.104 0.020 . 1 . . . . 24 L HG . 17239 1
224 . 1 1 21 21 LEU CA C 13 58.112 0.300 . 1 . . . . 24 L CA . 17239 1
225 . 1 1 21 21 LEU CB C 13 43.322 0.300 . 1 . . . . 24 L CB . 17239 1
226 . 1 1 21 21 LEU CD1 C 13 25.963 0.300 . 2 . . . . 24 L CD1 . 17239 1
227 . 1 1 21 21 LEU CD2 C 13 24.287 0.300 . 2 . . . . 24 L CD2 . 17239 1
228 . 1 1 21 21 LEU CG C 13 28.231 0.300 . 1 . . . . 24 L CG . 17239 1
229 . 1 1 21 21 LEU N N 15 119.449 0.300 . 1 . . . . 24 L N . 17239 1
230 . 1 1 22 22 THR H H 1 7.480 0.020 . 1 . . . . 25 T HN . 17239 1
231 . 1 1 22 22 THR HA H 1 4.073 0.020 . 1 . . . . 25 T HA . 17239 1
232 . 1 1 22 22 THR HB H 1 3.528 0.020 . 1 . . . . 25 T HB . 17239 1
233 . 1 1 22 22 THR HG21 H 1 -0.063 0.020 . 1 . . . . 25 T QG2 . 17239 1
234 . 1 1 22 22 THR HG22 H 1 -0.063 0.020 . 1 . . . . 25 T QG2 . 17239 1
235 . 1 1 22 22 THR HG23 H 1 -0.063 0.020 . 1 . . . . 25 T QG2 . 17239 1
236 . 1 1 22 22 THR CA C 13 62.904 0.300 . 1 . . . . 25 T CA . 17239 1
237 . 1 1 22 22 THR CB C 13 71.441 0.300 . 1 . . . . 25 T CB . 17239 1
238 . 1 1 22 22 THR CG2 C 13 20.618 0.300 . 1 . . . . 25 T CG2 . 17239 1
239 . 1 1 22 22 THR N N 15 104.931 0.300 . 1 . . . . 25 T N . 17239 1
240 . 1 1 23 23 LYS H H 1 8.175 0.020 . 1 . . . . 26 K HN . 17239 1
241 . 1 1 23 23 LYS HA H 1 4.016 0.020 . 1 . . . . 26 K HA . 17239 1
242 . 1 1 23 23 LYS HB2 H 1 2.159 0.020 . 2 . . . . 26 K HB2 . 17239 1
243 . 1 1 23 23 LYS HB3 H 1 1.968 0.020 . 2 . . . . 26 K HB3 . 17239 1
244 . 1 1 23 23 LYS HD2 H 1 1.501 0.020 . 2 . . . . 26 K QD . 17239 1
245 . 1 1 23 23 LYS HD3 H 1 1.501 0.020 . 2 . . . . 26 K QD . 17239 1
246 . 1 1 23 23 LYS HE2 H 1 2.853 0.020 . 2 . . . . 26 K HE2 . 17239 1
247 . 1 1 23 23 LYS HE3 H 1 2.783 0.020 . 2 . . . . 26 K HE3 . 17239 1
248 . 1 1 23 23 LYS HG2 H 1 1.184 0.020 . 2 . . . . 26 K HG2 . 17239 1
249 . 1 1 23 23 LYS HG3 H 1 1.040 0.020 . 2 . . . . 26 K HG3 . 17239 1
250 . 1 1 23 23 LYS CA C 13 56.438 0.300 . 1 . . . . 26 K CA . 17239 1
251 . 1 1 23 23 LYS CB C 13 28.470 0.300 . 1 . . . . 26 K CB . 17239 1
252 . 1 1 23 23 LYS CD C 13 28.247 0.300 . 1 . . . . 26 K CD . 17239 1
253 . 1 1 23 23 LYS CE C 13 42.365 0.300 . 1 . . . . 26 K CE . 17239 1
254 . 1 1 23 23 LYS CG C 13 24.680 0.300 . 1 . . . . 26 K CG . 17239 1
255 . 1 1 23 23 LYS N N 15 114.359 0.300 . 1 . . . . 26 K N . 17239 1
256 . 1 1 24 24 CYS H H 1 7.730 0.020 . 1 . . . . 27 C HN . 17239 1
257 . 1 1 24 24 CYS HA H 1 4.610 0.020 . 1 . . . . 27 C HA . 17239 1
258 . 1 1 24 24 CYS HB2 H 1 3.156 0.020 . 2 . . . . 27 C HB2 . 17239 1
259 . 1 1 24 24 CYS HB3 H 1 2.613 0.020 . 2 . . . . 27 C HB3 . 17239 1
260 . 1 1 24 24 CYS CA C 13 57.142 0.300 . 1 . . . . 27 C CA . 17239 1
261 . 1 1 24 24 CYS CB C 13 29.871 0.300 . 1 . . . . 27 C CB . 17239 1
262 . 1 1 24 24 CYS N N 15 116.088 0.300 . 1 . . . . 27 C N . 17239 1
263 . 1 1 25 25 ASP H H 1 8.482 0.020 . 1 . . . . 28 D HN . 17239 1
264 . 1 1 25 25 ASP HA H 1 4.841 0.020 . 1 . . . . 28 D HA . 17239 1
265 . 1 1 25 25 ASP HB2 H 1 2.804 0.020 . 2 . . . . 28 D HB2 . 17239 1
266 . 1 1 25 25 ASP HB3 H 1 2.702 0.020 . 2 . . . . 28 D HB3 . 17239 1
267 . 1 1 25 25 ASP CA C 13 52.368 0.300 . 1 . . . . 28 D CA . 17239 1
268 . 1 1 25 25 ASP CB C 13 42.907 0.300 . 1 . . . . 28 D CB . 17239 1
269 . 1 1 25 25 ASP N N 15 120.537 0.300 . 1 . . . . 28 D N . 17239 1
270 . 1 1 26 26 PRO HA H 1 4.279 0.020 . 1 . . . . 29 P HA . 17239 1
271 . 1 1 26 26 PRO HB2 H 1 2.361 0.020 . 2 . . . . 29 P HB2 . 17239 1
272 . 1 1 26 26 PRO HB3 H 1 1.983 0.020 . 2 . . . . 29 P HB3 . 17239 1
273 . 1 1 26 26 PRO HD2 H 1 3.956 0.020 . 2 . . . . 29 P HD2 . 17239 1
274 . 1 1 26 26 PRO HD3 H 1 3.871 0.020 . 2 . . . . 29 P HD3 . 17239 1
275 . 1 1 26 26 PRO HG2 H 1 2.161 0.020 . 2 . . . . 29 P HG2 . 17239 1
276 . 1 1 26 26 PRO HG3 H 1 2.106 0.020 . 2 . . . . 29 P HG3 . 17239 1
277 . 1 1 26 26 PRO CA C 13 65.889 0.300 . 1 . . . . 29 P CA . 17239 1
278 . 1 1 26 26 PRO CB C 13 32.279 0.300 . 1 . . . . 29 P CB . 17239 1
279 . 1 1 26 26 PRO CD C 13 51.092 0.300 . 1 . . . . 29 P CD . 17239 1
280 . 1 1 26 26 PRO CG C 13 27.762 0.300 . 1 . . . . 29 P CG . 17239 1
281 . 1 1 27 27 LYS H H 1 9.158 0.020 . 1 . . . . 30 K HN . 17239 1
282 . 1 1 27 27 LYS HA H 1 4.062 0.020 . 1 . . . . 30 K HA . 17239 1
283 . 1 1 27 27 LYS HB2 H 1 1.894 0.020 . 2 . . . . 30 K HB2 . 17239 1
284 . 1 1 27 27 LYS HB3 H 1 1.804 0.020 . 2 . . . . 30 K HB3 . 17239 1
285 . 1 1 27 27 LYS HD2 H 1 1.728 0.020 . 2 . . . . 30 K QD . 17239 1
286 . 1 1 27 27 LYS HD3 H 1 1.728 0.020 . 2 . . . . 30 K QD . 17239 1
287 . 1 1 27 27 LYS HE2 H 1 3.019 0.020 . 2 . . . . 30 K QE . 17239 1
288 . 1 1 27 27 LYS HE3 H 1 3.019 0.020 . 2 . . . . 30 K QE . 17239 1
289 . 1 1 27 27 LYS HG2 H 1 1.570 0.020 . 2 . . . . 30 K HG2 . 17239 1
290 . 1 1 27 27 LYS HG3 H 1 1.460 0.020 . 2 . . . . 30 K HG3 . 17239 1
291 . 1 1 27 27 LYS CA C 13 60.024 0.300 . 1 . . . . 30 K CA . 17239 1
292 . 1 1 27 27 LYS CB C 13 32.123 0.300 . 1 . . . . 30 K CB . 17239 1
293 . 1 1 27 27 LYS CD C 13 29.250 0.300 . 1 . . . . 30 K CD . 17239 1
294 . 1 1 27 27 LYS CE C 13 41.734 0.300 . 1 . . . . 30 K CE . 17239 1
295 . 1 1 27 27 LYS CG C 13 25.456 0.300 . 1 . . . . 30 K CG . 17239 1
296 . 1 1 27 27 LYS N N 15 118.803 0.300 . 1 . . . . 30 K N . 17239 1
297 . 1 1 28 28 VAL H H 1 7.987 0.020 . 1 . . . . 31 V HN . 17239 1
298 . 1 1 28 28 VAL HA H 1 3.741 0.020 . 1 . . . . 31 V HA . 17239 1
299 . 1 1 28 28 VAL HB H 1 2.603 0.020 . 1 . . . . 31 V HB . 17239 1
300 . 1 1 28 28 VAL HG11 H 1 1.364 0.020 . 2 . . . . 31 V QG1 . 17239 1
301 . 1 1 28 28 VAL HG12 H 1 1.364 0.020 . 2 . . . . 31 V QG1 . 17239 1
302 . 1 1 28 28 VAL HG13 H 1 1.364 0.020 . 2 . . . . 31 V QG1 . 17239 1
303 . 1 1 28 28 VAL HG21 H 1 1.232 0.020 . 2 . . . . 31 V QG2 . 17239 1
304 . 1 1 28 28 VAL HG22 H 1 1.232 0.020 . 2 . . . . 31 V QG2 . 17239 1
305 . 1 1 28 28 VAL HG23 H 1 1.232 0.020 . 2 . . . . 31 V QG2 . 17239 1
306 . 1 1 28 28 VAL CA C 13 65.951 0.300 . 1 . . . . 31 V CA . 17239 1
307 . 1 1 28 28 VAL CB C 13 31.788 0.300 . 1 . . . . 31 V CB . 17239 1
308 . 1 1 28 28 VAL CG1 C 13 22.015 0.300 . 2 . . . . 31 V CG1 . 17239 1
309 . 1 1 28 28 VAL CG2 C 13 23.097 0.300 . 2 . . . . 31 V CG2 . 17239 1
310 . 1 1 28 28 VAL N N 15 122.733 0.300 . 1 . . . . 31 V N . 17239 1
311 . 1 1 29 29 SER H H 1 7.743 0.020 . 1 . . . . 32 S HN . 17239 1
312 . 1 1 29 29 SER HA H 1 3.383 0.020 . 1 . . . . 32 S HA . 17239 1
313 . 1 1 29 29 SER HB2 H 1 3.461 0.020 . 2 . . . . 32 S HB2 . 17239 1
314 . 1 1 29 29 SER HB3 H 1 3.939 0.020 . 2 . . . . 32 S HB3 . 17239 1
315 . 1 1 29 29 SER CA C 13 60.590 0.300 . 1 . . . . 32 S CA . 17239 1
316 . 1 1 29 29 SER CB C 13 62.255 0.300 . 1 . . . . 32 S CB . 17239 1
317 . 1 1 29 29 SER N N 15 116.053 0.300 . 1 . . . . 32 S N . 17239 1
318 . 1 1 30 30 ARG H H 1 7.743 0.020 . 1 . . . . 33 R HN . 17239 1
319 . 1 1 30 30 ARG HA H 1 3.392 0.020 . 1 . . . . 33 R HA . 17239 1
320 . 1 1 30 30 ARG HB2 H 1 1.832 0.020 . 2 . . . . 33 R HB2 . 17239 1
321 . 1 1 30 30 ARG HB3 H 1 1.778 0.020 . 2 . . . . 33 R HB3 . 17239 1
322 . 1 1 30 30 ARG HD2 H 1 3.402 0.020 . 2 . . . . 33 R HD2 . 17239 1
323 . 1 1 30 30 ARG HD3 H 1 3.206 0.020 . 2 . . . . 33 R HD3 . 17239 1
324 . 1 1 30 30 ARG HE H 1 7.527 0.020 . 1 . . . . 33 R HE . 17239 1
325 . 1 1 30 30 ARG HG2 H 1 1.653 0.020 . 2 . . . . 33 R HG2 . 17239 1
326 . 1 1 30 30 ARG HG3 H 1 1.560 0.020 . 2 . . . . 33 R HG3 . 17239 1
327 . 1 1 30 30 ARG CA C 13 60.296 0.300 . 1 . . . . 33 R CA . 17239 1
328 . 1 1 30 30 ARG CB C 13 30.027 0.300 . 1 . . . . 33 R CB . 17239 1
329 . 1 1 30 30 ARG CD C 13 43.151 0.300 . 1 . . . . 33 R CD . 17239 1
330 . 1 1 30 30 ARG CG C 13 28.289 0.300 . 1 . . . . 33 R CG . 17239 1
331 . 1 1 30 30 ARG N N 15 118.020 0.300 . 1 . . . . 33 R N . 17239 1
332 . 1 1 30 30 ARG NE N 15 83.201 0.300 . 1 . . . . 33 R NE . 17239 1
333 . 1 1 31 31 LYS H H 1 7.201 0.020 . 1 . . . . 34 K HN . 17239 1
334 . 1 1 31 31 LYS HA H 1 3.841 0.020 . 1 . . . . 34 K HA . 17239 1
335 . 1 1 31 31 LYS HB2 H 1 1.835 0.020 . 2 . . . . 34 K QB . 17239 1
336 . 1 1 31 31 LYS HB3 H 1 1.835 0.020 . 2 . . . . 34 K QB . 17239 1
337 . 1 1 31 31 LYS HD2 H 1 1.566 0.020 . 2 . . . . 34 K HD2 . 17239 1
338 . 1 1 31 31 LYS HD3 H 1 1.511 0.020 . 2 . . . . 34 K HD3 . 17239 1
339 . 1 1 31 31 LYS HE2 H 1 2.698 0.020 . 2 . . . . 34 K HE2 . 17239 1
340 . 1 1 31 31 LYS HE3 H 1 2.654 0.020 . 2 . . . . 34 K HE3 . 17239 1
341 . 1 1 31 31 LYS HG2 H 1 1.358 0.020 . 2 . . . . 34 K HG2 . 17239 1
342 . 1 1 31 31 LYS HG3 H 1 0.779 0.020 . 2 . . . . 34 K HG3 . 17239 1
343 . 1 1 31 31 LYS CA C 13 59.509 0.300 . 1 . . . . 34 K CA . 17239 1
344 . 1 1 31 31 LYS CB C 13 31.880 0.300 . 1 . . . . 34 K CB . 17239 1
345 . 1 1 31 31 LYS CD C 13 29.496 0.300 . 1 . . . . 34 K CD . 17239 1
346 . 1 1 31 31 LYS CE C 13 41.877 0.300 . 1 . . . . 34 K CE . 17239 1
347 . 1 1 31 31 LYS CG C 13 24.410 0.300 . 1 . . . . 34 K CG . 17239 1
348 . 1 1 31 31 LYS N N 15 118.056 0.300 . 1 . . . . 34 K N . 17239 1
349 . 1 1 32 32 TYR H H 1 7.750 0.020 . 1 . . . . 35 Y HN . 17239 1
350 . 1 1 32 32 TYR HA H 1 3.640 0.020 . 1 . . . . 35 Y HA . 17239 1
351 . 1 1 32 32 TYR HB2 H 1 2.622 0.020 . 2 . . . . 35 Y HB2 . 17239 1
352 . 1 1 32 32 TYR HB3 H 1 2.382 0.020 . 2 . . . . 35 Y HB3 . 17239 1
353 . 1 1 32 32 TYR HD1 H 1 7.312 0.020 . 3 . . . . 35 Y QD . 17239 1
354 . 1 1 32 32 TYR HD2 H 1 7.312 0.020 . 3 . . . . 35 Y QD . 17239 1
355 . 1 1 32 32 TYR HE1 H 1 6.758 0.020 . 3 . . . . 35 Y QE . 17239 1
356 . 1 1 32 32 TYR HE2 H 1 6.758 0.020 . 3 . . . . 35 Y QE . 17239 1
357 . 1 1 32 32 TYR CA C 13 63.648 0.300 . 1 . . . . 35 Y CA . 17239 1
358 . 1 1 32 32 TYR CB C 13 39.138 0.300 . 1 . . . . 35 Y CB . 17239 1
359 . 1 1 32 32 TYR CD1 C 13 132.747 0.300 . 3 . . . . 35 Y CD1 . 17239 1
360 . 1 1 32 32 TYR CE1 C 13 119.094 0.300 . 3 . . . . 35 Y CE1 . 17239 1
361 . 1 1 32 32 TYR N N 15 115.507 0.300 . 1 . . . . 35 Y N . 17239 1
362 . 1 1 33 33 LEU H H 1 8.006 0.020 . 1 . . . . 36 L HN . 17239 1
363 . 1 1 33 33 LEU HA H 1 3.273 0.020 . 1 . . . . 36 L HA . 17239 1
364 . 1 1 33 33 LEU HB2 H 1 0.807 0.020 . 2 . . . . 36 L HB2 . 17239 1
365 . 1 1 33 33 LEU HB3 H 1 0.004 0.020 . 2 . . . . 36 L HB3 . 17239 1
366 . 1 1 33 33 LEU HD11 H 1 0.570 0.020 . 2 . . . . 36 L QD1 . 17239 1
367 . 1 1 33 33 LEU HD12 H 1 0.570 0.020 . 2 . . . . 36 L QD1 . 17239 1
368 . 1 1 33 33 LEU HD13 H 1 0.570 0.020 . 2 . . . . 36 L QD1 . 17239 1
369 . 1 1 33 33 LEU HD21 H 1 0.559 0.020 . 2 . . . . 36 L QD2 . 17239 1
370 . 1 1 33 33 LEU HD22 H 1 0.559 0.020 . 2 . . . . 36 L QD2 . 17239 1
371 . 1 1 33 33 LEU HD23 H 1 0.559 0.020 . 2 . . . . 36 L QD2 . 17239 1
372 . 1 1 33 33 LEU HG H 1 0.842 0.020 . 1 . . . . 36 L HG . 17239 1
373 . 1 1 33 33 LEU CA C 13 58.535 0.300 . 1 . . . . 36 L CA . 17239 1
374 . 1 1 33 33 LEU CB C 13 40.582 0.300 . 1 . . . . 36 L CB . 17239 1
375 . 1 1 33 33 LEU CD1 C 13 26.037 0.300 . 2 . . . . 36 L CD1 . 17239 1
376 . 1 1 33 33 LEU CD2 C 13 23.574 0.300 . 2 . . . . 36 L CD2 . 17239 1
377 . 1 1 33 33 LEU CG C 13 27.941 0.300 . 1 . . . . 36 L CG . 17239 1
378 . 1 1 33 33 LEU N N 15 120.835 0.300 . 1 . . . . 36 L N . 17239 1
379 . 1 1 34 34 GLN H H 1 8.315 0.020 . 1 . . . . 37 Q HN . 17239 1
380 . 1 1 34 34 GLN HA H 1 3.085 0.020 . 1 . . . . 37 Q HA . 17239 1
381 . 1 1 34 34 GLN HB2 H 1 2.013 0.020 . 2 . . . . 37 Q HB2 . 17239 1
382 . 1 1 34 34 GLN HB3 H 1 1.853 0.020 . 2 . . . . 37 Q HB3 . 17239 1
383 . 1 1 34 34 GLN HE21 H 1 7.565 0.020 . 2 . . . . 37 Q HE21 . 17239 1
384 . 1 1 34 34 GLN HE22 H 1 7.002 0.020 . 2 . . . . 37 Q HE22 . 17239 1
385 . 1 1 34 34 GLN HG2 H 1 2.433 0.020 . 2 . . . . 37 Q HG2 . 17239 1
386 . 1 1 34 34 GLN HG3 H 1 2.372 0.020 . 2 . . . . 37 Q HG3 . 17239 1
387 . 1 1 34 34 GLN CA C 13 58.990 0.300 . 1 . . . . 37 Q CA . 17239 1
388 . 1 1 34 34 GLN CB C 13 27.977 0.300 . 1 . . . . 37 Q CB . 17239 1
389 . 1 1 34 34 GLN CG C 13 34.022 0.300 . 1 . . . . 37 Q CG . 17239 1
390 . 1 1 34 34 GLN N N 15 119.012 0.300 . 1 . . . . 37 Q N . 17239 1
391 . 1 1 34 34 GLN NE2 N 15 111.624 0.300 . 1 . . . . 37 Q NE2 . 17239 1
392 . 1 1 35 35 ARG H H 1 7.173 0.020 . 1 . . . . 38 R HN . 17239 1
393 . 1 1 35 35 ARG HA H 1 4.215 0.020 . 1 . . . . 38 R HA . 17239 1
394 . 1 1 35 35 ARG HB2 H 1 1.902 0.020 . 2 . . . . 38 R HB2 . 17239 1
395 . 1 1 35 35 ARG HB3 H 1 1.626 0.020 . 2 . . . . 38 R HB3 . 17239 1
396 . 1 1 35 35 ARG HD2 H 1 2.886 0.020 . 2 . . . . 38 R HD2 . 17239 1
397 . 1 1 35 35 ARG HD3 H 1 2.801 0.020 . 2 . . . . 38 R HD3 . 17239 1
398 . 1 1 35 35 ARG HE H 1 7.824 0.020 . 1 . . . . 38 R HE . 17239 1
399 . 1 1 35 35 ARG HG2 H 1 1.655 0.020 . 2 . . . . 38 R HG2 . 17239 1
400 . 1 1 35 35 ARG HG3 H 1 1.504 0.020 . 2 . . . . 38 R HG3 . 17239 1
401 . 1 1 35 35 ARG CA C 13 57.111 0.300 . 1 . . . . 38 R CA . 17239 1
402 . 1 1 35 35 ARG CB C 13 30.277 0.300 . 1 . . . . 38 R CB . 17239 1
403 . 1 1 35 35 ARG CD C 13 44.040 0.300 . 1 . . . . 38 R CD . 17239 1
404 . 1 1 35 35 ARG CG C 13 26.146 0.300 . 1 . . . . 38 R CG . 17239 1
405 . 1 1 35 35 ARG N N 15 115.784 0.300 . 1 . . . . 38 R N . 17239 1
406 . 1 1 35 35 ARG NE N 15 83.273 0.300 . 1 . . . . 38 R NE . 17239 1
407 . 1 1 36 36 ASN H H 1 7.007 0.020 . 1 . . . . 39 N HN . 17239 1
408 . 1 1 36 36 ASN HA H 1 4.944 0.020 . 1 . . . . 39 N HA . 17239 1
409 . 1 1 36 36 ASN HB2 H 1 3.217 0.020 . 2 . . . . 39 N HB2 . 17239 1
410 . 1 1 36 36 ASN HB3 H 1 2.358 0.020 . 2 . . . . 39 N HB3 . 17239 1
411 . 1 1 36 36 ASN HD21 H 1 9.354 0.020 . 2 . . . . 39 N HD21 . 17239 1
412 . 1 1 36 36 ASN HD22 H 1 8.417 0.020 . 2 . . . . 39 N HD22 . 17239 1
413 . 1 1 36 36 ASN CA C 13 53.654 0.300 . 1 . . . . 39 N CA . 17239 1
414 . 1 1 36 36 ASN CB C 13 40.068 0.300 . 1 . . . . 39 N CB . 17239 1
415 . 1 1 36 36 ASN N N 15 116.640 0.300 . 1 . . . . 39 N N . 17239 1
416 . 1 1 36 36 ASN ND2 N 15 119.927 0.300 . 1 . . . . 39 N ND2 . 17239 1
417 . 1 1 37 37 HIS H H 1 7.847 0.020 . 1 . . . . 40 H HN . 17239 1
418 . 1 1 37 37 HIS HA H 1 4.366 0.020 . 1 . . . . 40 H HA . 17239 1
419 . 1 1 37 37 HIS HB2 H 1 3.497 0.020 . 2 . . . . 40 H HB2 . 17239 1
420 . 1 1 37 37 HIS HB3 H 1 3.454 0.020 . 2 . . . . 40 H HB3 . 17239 1
421 . 1 1 37 37 HIS HD2 H 1 7.293 0.020 . 1 . . . . 40 H HD2 . 17239 1
422 . 1 1 37 37 HIS HE1 H 1 8.487 0.020 . 1 . . . . 40 H HE1 . 17239 1
423 . 1 1 37 37 HIS CA C 13 57.342 0.300 . 1 . . . . 40 H CA . 17239 1
424 . 1 1 37 37 HIS CB C 13 26.290 0.300 . 1 . . . . 40 H CB . 17239 1
425 . 1 1 37 37 HIS CD2 C 13 119.947 0.300 . 1 . . . . 40 H CD2 . 17239 1
426 . 1 1 37 37 HIS CE1 C 13 136.483 0.300 . 1 . . . . 40 H CE1 . 17239 1
427 . 1 1 37 37 HIS N N 15 112.902 0.300 . 1 . . . . 40 H N . 17239 1
428 . 1 1 38 38 TRP H H 1 8.603 0.020 . 1 . . . . 41 W HN . 17239 1
429 . 1 1 38 38 TRP HA H 1 3.160 0.020 . 1 . . . . 41 W HA . 17239 1
430 . 1 1 38 38 TRP HB2 H 1 3.603 0.020 . 2 . . . . 41 W HB2 . 17239 1
431 . 1 1 38 38 TRP HB3 H 1 3.300 0.020 . 2 . . . . 41 W HB3 . 17239 1
432 . 1 1 38 38 TRP HD1 H 1 7.160 0.020 . 1 . . . . 41 W HD1 . 17239 1
433 . 1 1 38 38 TRP HE1 H 1 10.203 0.020 . 1 . . . . 41 W HE1 . 17239 1
434 . 1 1 38 38 TRP HE3 H 1 7.366 0.020 . 1 . . . . 41 W HE3 . 17239 1
435 . 1 1 38 38 TRP HH2 H 1 6.962 0.020 . 1 . . . . 41 W HH2 . 17239 1
436 . 1 1 38 38 TRP HZ2 H 1 7.424 0.020 . 1 . . . . 41 W HZ2 . 17239 1
437 . 1 1 38 38 TRP HZ3 H 1 7.176 0.020 . 1 . . . . 41 W HZ3 . 17239 1
438 . 1 1 38 38 TRP CA C 13 59.690 0.300 . 1 . . . . 41 W CA . 17239 1
439 . 1 1 38 38 TRP CB C 13 24.542 0.300 . 1 . . . . 41 W CB . 17239 1
440 . 1 1 38 38 TRP CD1 C 13 127.354 0.300 . 1 . . . . 41 W CD1 . 17239 1
441 . 1 1 38 38 TRP CE3 C 13 119.632 0.300 . 1 . . . . 41 W CE3 . 17239 1
442 . 1 1 38 38 TRP CH2 C 13 123.638 0.300 . 1 . . . . 41 W CH2 . 17239 1
443 . 1 1 38 38 TRP CZ2 C 13 114.822 0.300 . 1 . . . . 41 W CZ2 . 17239 1
444 . 1 1 38 38 TRP CZ3 C 13 122.821 0.300 . 1 . . . . 41 W CZ3 . 17239 1
445 . 1 1 38 38 TRP N N 15 109.687 0.300 . 1 . . . . 41 W N . 17239 1
446 . 1 1 38 38 TRP NE1 N 15 128.713 0.300 . 1 . . . . 41 W NE1 . 17239 1
447 . 1 1 39 39 ASN H H 1 7.552 0.020 . 1 . . . . 42 N HN . 17239 1
448 . 1 1 39 39 ASN HA H 1 4.911 0.020 . 1 . . . . 42 N HA . 17239 1
449 . 1 1 39 39 ASN HB2 H 1 3.109 0.020 . 2 . . . . 42 N HB2 . 17239 1
450 . 1 1 39 39 ASN HB3 H 1 2.580 0.020 . 2 . . . . 42 N HB3 . 17239 1
451 . 1 1 39 39 ASN HD21 H 1 7.562 0.020 . 2 . . . . 42 N HD21 . 17239 1
452 . 1 1 39 39 ASN HD22 H 1 6.751 0.020 . 2 . . . . 42 N HD22 . 17239 1
453 . 1 1 39 39 ASN CA C 13 52.390 0.300 . 1 . . . . 42 N CA . 17239 1
454 . 1 1 39 39 ASN CB C 13 39.190 0.300 . 1 . . . . 42 N CB . 17239 1
455 . 1 1 39 39 ASN N N 15 118.197 0.300 . 1 . . . . 42 N N . 17239 1
456 . 1 1 39 39 ASN ND2 N 15 114.023 0.300 . 1 . . . . 42 N ND2 . 17239 1
457 . 1 1 40 40 ILE H H 1 8.962 0.020 . 1 . . . . 43 I HN . 17239 1
458 . 1 1 40 40 ILE HA H 1 3.876 0.020 . 1 . . . . 43 I HA . 17239 1
459 . 1 1 40 40 ILE HB H 1 1.940 0.020 . 1 . . . . 43 I HB . 17239 1
460 . 1 1 40 40 ILE HD11 H 1 1.126 0.020 . 1 . . . . 43 I QD1 . 17239 1
461 . 1 1 40 40 ILE HD12 H 1 1.126 0.020 . 1 . . . . 43 I QD1 . 17239 1
462 . 1 1 40 40 ILE HD13 H 1 1.126 0.020 . 1 . . . . 43 I QD1 . 17239 1
463 . 1 1 40 40 ILE HG12 H 1 1.769 0.020 . 1 . . . . 43 I HG12 . 17239 1
464 . 1 1 40 40 ILE HG13 H 1 1.390 0.020 . 1 . . . . 43 I HG13 . 17239 1
465 . 1 1 40 40 ILE HG21 H 1 1.094 0.020 . 1 . . . . 43 I QG2 . 17239 1
466 . 1 1 40 40 ILE HG22 H 1 1.094 0.020 . 1 . . . . 43 I QG2 . 17239 1
467 . 1 1 40 40 ILE HG23 H 1 1.094 0.020 . 1 . . . . 43 I QG2 . 17239 1
468 . 1 1 40 40 ILE CA C 13 65.196 0.300 . 1 . . . . 43 I CA . 17239 1
469 . 1 1 40 40 ILE CB C 13 38.565 0.300 . 1 . . . . 43 I CB . 17239 1
470 . 1 1 40 40 ILE CD1 C 13 14.494 0.300 . 1 . . . . 43 I CD1 . 17239 1
471 . 1 1 40 40 ILE CG1 C 13 30.193 0.300 . 1 . . . . 43 I CG1 . 17239 1
472 . 1 1 40 40 ILE CG2 C 13 17.230 0.300 . 1 . . . . 43 I CG2 . 17239 1
473 . 1 1 40 40 ILE N N 15 126.806 0.300 . 1 . . . . 43 I N . 17239 1
474 . 1 1 41 41 ASN H H 1 8.205 0.020 . 1 . . . . 44 N HN . 17239 1
475 . 1 1 41 41 ASN HA H 1 4.375 0.020 . 1 . . . . 44 N HA . 17239 1
476 . 1 1 41 41 ASN HB2 H 1 2.863 0.020 . 2 . . . . 44 N QB . 17239 1
477 . 1 1 41 41 ASN HB3 H 1 2.863 0.020 . 2 . . . . 44 N QB . 17239 1
478 . 1 1 41 41 ASN HD21 H 1 7.470 0.020 . 2 . . . . 44 N HD21 . 17239 1
479 . 1 1 41 41 ASN HD22 H 1 7.388 0.020 . 2 . . . . 44 N HD22 . 17239 1
480 . 1 1 41 41 ASN CA C 13 58.002 0.300 . 1 . . . . 44 N CA . 17239 1
481 . 1 1 41 41 ASN CB C 13 39.510 0.300 . 1 . . . . 44 N CB . 17239 1
482 . 1 1 41 41 ASN N N 15 120.092 0.300 . 1 . . . . 44 N N . 17239 1
483 . 1 1 41 41 ASN ND2 N 15 113.079 0.300 . 1 . . . . 44 N ND2 . 17239 1
484 . 1 1 42 42 TYR H H 1 8.507 0.020 . 1 . . . . 45 Y HN . 17239 1
485 . 1 1 42 42 TYR HA H 1 4.430 0.020 . 1 . . . . 45 Y HA . 17239 1
486 . 1 1 42 42 TYR HB2 H 1 3.424 0.020 . 2 . . . . 45 Y HB2 . 17239 1
487 . 1 1 42 42 TYR HB3 H 1 3.275 0.020 . 2 . . . . 45 Y HB3 . 17239 1
488 . 1 1 42 42 TYR HD1 H 1 7.201 0.020 . 3 . . . . 45 Y QD . 17239 1
489 . 1 1 42 42 TYR HD2 H 1 7.201 0.020 . 3 . . . . 45 Y QD . 17239 1
490 . 1 1 42 42 TYR HE1 H 1 6.894 0.020 . 3 . . . . 45 Y QE . 17239 1
491 . 1 1 42 42 TYR HE2 H 1 6.894 0.020 . 3 . . . . 45 Y QE . 17239 1
492 . 1 1 42 42 TYR CA C 13 59.549 0.300 . 1 . . . . 45 Y CA . 17239 1
493 . 1 1 42 42 TYR CB C 13 36.700 0.300 . 1 . . . . 45 Y CB . 17239 1
494 . 1 1 42 42 TYR CD1 C 13 131.813 0.300 . 3 . . . . 45 Y CD1 . 17239 1
495 . 1 1 42 42 TYR CE1 C 13 118.494 0.300 . 3 . . . . 45 Y CE1 . 17239 1
496 . 1 1 42 42 TYR N N 15 120.589 0.300 . 1 . . . . 45 Y N . 17239 1
497 . 1 1 43 43 ALA H H 1 8.889 0.020 . 1 . . . . 46 A HN . 17239 1
498 . 1 1 43 43 ALA HA H 1 4.433 0.020 . 1 . . . . 46 A HA . 17239 1
499 . 1 1 43 43 ALA HB1 H 1 1.456 0.020 . 1 . . . . 46 A QB . 17239 1
500 . 1 1 43 43 ALA HB2 H 1 1.456 0.020 . 1 . . . . 46 A QB . 17239 1
501 . 1 1 43 43 ALA HB3 H 1 1.456 0.020 . 1 . . . . 46 A QB . 17239 1
502 . 1 1 43 43 ALA CA C 13 55.443 0.300 . 1 . . . . 46 A CA . 17239 1
503 . 1 1 43 43 ALA CB C 13 19.653 0.300 . 1 . . . . 46 A CB . 17239 1
504 . 1 1 43 43 ALA N N 15 121.494 0.300 . 1 . . . . 46 A N . 17239 1
505 . 1 1 44 44 LEU H H 1 8.853 0.020 . 1 . . . . 47 L HN . 17239 1
506 . 1 1 44 44 LEU HA H 1 3.939 0.020 . 1 . . . . 47 L HA . 17239 1
507 . 1 1 44 44 LEU HB2 H 1 2.083 0.020 . 2 . . . . 47 L HB2 . 17239 1
508 . 1 1 44 44 LEU HB3 H 1 1.161 0.020 . 2 . . . . 47 L HB3 . 17239 1
509 . 1 1 44 44 LEU HD11 H 1 0.829 0.020 . 2 . . . . 47 L QD1 . 17239 1
510 . 1 1 44 44 LEU HD12 H 1 0.829 0.020 . 2 . . . . 47 L QD1 . 17239 1
511 . 1 1 44 44 LEU HD13 H 1 0.829 0.020 . 2 . . . . 47 L QD1 . 17239 1
512 . 1 1 44 44 LEU HD21 H 1 0.117 0.020 . 2 . . . . 47 L QD2 . 17239 1
513 . 1 1 44 44 LEU HD22 H 1 0.117 0.020 . 2 . . . . 47 L QD2 . 17239 1
514 . 1 1 44 44 LEU HD23 H 1 0.117 0.020 . 2 . . . . 47 L QD2 . 17239 1
515 . 1 1 44 44 LEU HG H 1 1.834 0.020 . 1 . . . . 47 L HG . 17239 1
516 . 1 1 44 44 LEU CA C 13 57.733 0.300 . 1 . . . . 47 L CA . 17239 1
517 . 1 1 44 44 LEU CB C 13 43.441 0.300 . 1 . . . . 47 L CB . 17239 1
518 . 1 1 44 44 LEU CD1 C 13 28.776 0.300 . 2 . . . . 47 L CD1 . 17239 1
519 . 1 1 44 44 LEU CD2 C 13 24.886 0.300 . 2 . . . . 47 L CD2 . 17239 1
520 . 1 1 44 44 LEU CG C 13 27.115 0.300 . 1 . . . . 47 L CG . 17239 1
521 . 1 1 44 44 LEU N N 15 118.364 0.300 . 1 . . . . 47 L N . 17239 1
522 . 1 1 45 45 ASN H H 1 7.798 0.020 . 1 . . . . 48 N HN . 17239 1
523 . 1 1 45 45 ASN HA H 1 4.238 0.020 . 1 . . . . 48 N HA . 17239 1
524 . 1 1 45 45 ASN HB2 H 1 2.846 0.020 . 2 . . . . 48 N HB2 . 17239 1
525 . 1 1 45 45 ASN HB3 H 1 2.760 0.020 . 2 . . . . 48 N HB3 . 17239 1
526 . 1 1 45 45 ASN HD21 H 1 7.594 0.020 . 2 . . . . 48 N HD21 . 17239 1
527 . 1 1 45 45 ASN HD22 H 1 7.250 0.020 . 2 . . . . 48 N HD22 . 17239 1
528 . 1 1 45 45 ASN CA C 13 57.953 0.300 . 1 . . . . 48 N CA . 17239 1
529 . 1 1 45 45 ASN CB C 13 39.636 0.300 . 1 . . . . 48 N CB . 17239 1
530 . 1 1 45 45 ASN N N 15 116.978 0.300 . 1 . . . . 48 N N . 17239 1
531 . 1 1 45 45 ASN ND2 N 15 115.904 0.300 . 1 . . . . 48 N ND2 . 17239 1
532 . 1 1 46 46 ASP H H 1 7.842 0.020 . 1 . . . . 49 D HN . 17239 1
533 . 1 1 46 46 ASP HA H 1 4.420 0.020 . 1 . . . . 49 D HA . 17239 1
534 . 1 1 46 46 ASP HB2 H 1 3.283 0.020 . 2 . . . . 49 D HB2 . 17239 1
535 . 1 1 46 46 ASP HB3 H 1 3.080 0.020 . 2 . . . . 49 D HB3 . 17239 1
536 . 1 1 46 46 ASP CA C 13 56.923 0.300 . 1 . . . . 49 D CA . 17239 1
537 . 1 1 46 46 ASP CB C 13 41.864 0.300 . 1 . . . . 49 D CB . 17239 1
538 . 1 1 46 46 ASP N N 15 117.903 0.300 . 1 . . . . 49 D N . 17239 1
539 . 1 1 47 47 TYR H H 1 8.162 0.020 . 1 . . . . 50 Y HN . 17239 1
540 . 1 1 47 47 TYR HA H 1 3.351 0.020 . 1 . . . . 50 Y HA . 17239 1
541 . 1 1 47 47 TYR HB2 H 1 2.669 0.020 . 2 . . . . 50 Y HB2 . 17239 1
542 . 1 1 47 47 TYR HB3 H 1 2.231 0.020 . 2 . . . . 50 Y HB3 . 17239 1
543 . 1 1 47 47 TYR HD1 H 1 5.467 0.020 . 3 . . . . 50 Y QD . 17239 1
544 . 1 1 47 47 TYR HD2 H 1 5.467 0.020 . 3 . . . . 50 Y QD . 17239 1
545 . 1 1 47 47 TYR HE1 H 1 6.284 0.020 . 3 . . . . 50 Y QE . 17239 1
546 . 1 1 47 47 TYR HE2 H 1 6.284 0.020 . 3 . . . . 50 Y QE . 17239 1
547 . 1 1 47 47 TYR CA C 13 61.791 0.300 . 1 . . . . 50 Y CA . 17239 1
548 . 1 1 47 47 TYR CB C 13 39.035 0.300 . 1 . . . . 50 Y CB . 17239 1
549 . 1 1 47 47 TYR CD1 C 13 132.756 0.300 . 3 . . . . 50 Y CD1 . 17239 1
550 . 1 1 47 47 TYR CE1 C 13 117.310 0.300 . 3 . . . . 50 Y CE1 . 17239 1
551 . 1 1 47 47 TYR N N 15 117.896 0.300 . 1 . . . . 50 Y N . 17239 1
552 . 1 1 48 48 TYR H H 1 8.337 0.020 . 1 . . . . 51 Y HN . 17239 1
553 . 1 1 48 48 TYR HA H 1 4.149 0.020 . 1 . . . . 51 Y HA . 17239 1
554 . 1 1 48 48 TYR HB2 H 1 3.208 0.020 . 2 . . . . 51 Y HB2 . 17239 1
555 . 1 1 48 48 TYR HB3 H 1 2.473 0.020 . 2 . . . . 51 Y HB3 . 17239 1
556 . 1 1 48 48 TYR HD1 H 1 7.155 0.020 . 3 . . . . 51 Y QD . 17239 1
557 . 1 1 48 48 TYR HD2 H 1 7.155 0.020 . 3 . . . . 51 Y QD . 17239 1
558 . 1 1 48 48 TYR HE1 H 1 6.620 0.020 . 3 . . . . 51 Y QE . 17239 1
559 . 1 1 48 48 TYR HE2 H 1 6.620 0.020 . 3 . . . . 51 Y QE . 17239 1
560 . 1 1 48 48 TYR CA C 13 62.959 0.300 . 1 . . . . 51 Y CA . 17239 1
561 . 1 1 48 48 TYR CB C 13 37.212 0.300 . 1 . . . . 51 Y CB . 17239 1
562 . 1 1 48 48 TYR CD1 C 13 132.709 0.300 . 3 . . . . 51 Y CD1 . 17239 1
563 . 1 1 48 48 TYR CE1 C 13 117.600 0.300 . 3 . . . . 51 Y CE1 . 17239 1
564 . 1 1 48 48 TYR N N 15 114.456 0.300 . 1 . . . . 51 Y N . 17239 1
565 . 1 1 49 49 ASP H H 1 8.064 0.020 . 1 . . . . 52 D HN . 17239 1
566 . 1 1 49 49 ASP HA H 1 4.760 0.020 . 1 . . . . 52 D HA . 17239 1
567 . 1 1 49 49 ASP HB2 H 1 3.081 0.020 . 2 . . . . 52 D HB2 . 17239 1
568 . 1 1 49 49 ASP HB3 H 1 2.770 0.020 . 2 . . . . 52 D HB3 . 17239 1
569 . 1 1 49 49 ASP CA C 13 56.169 0.300 . 1 . . . . 52 D CA . 17239 1
570 . 1 1 49 49 ASP CB C 13 40.762 0.300 . 1 . . . . 52 D CB . 17239 1
571 . 1 1 49 49 ASP N N 15 120.100 0.300 . 1 . . . . 52 D N . 17239 1
572 . 1 1 50 50 LYS H H 1 7.783 0.020 . 1 . . . . 53 K HN . 17239 1
573 . 1 1 50 50 LYS HA H 1 4.329 0.020 . 1 . . . . 53 K HA . 17239 1
574 . 1 1 50 50 LYS HB2 H 1 1.980 0.020 . 2 . . . . 53 K HB2 . 17239 1
575 . 1 1 50 50 LYS HB3 H 1 1.826 0.020 . 2 . . . . 53 K HB3 . 17239 1
576 . 1 1 50 50 LYS HD2 H 1 1.664 0.020 . 2 . . . . 53 K QD . 17239 1
577 . 1 1 50 50 LYS HD3 H 1 1.664 0.020 . 2 . . . . 53 K QD . 17239 1
578 . 1 1 50 50 LYS HE2 H 1 2.977 0.020 . 2 . . . . 53 K QE . 17239 1
579 . 1 1 50 50 LYS HE3 H 1 2.977 0.020 . 2 . . . . 53 K QE . 17239 1
580 . 1 1 50 50 LYS HG2 H 1 1.545 0.020 . 2 . . . . 53 K HG2 . 17239 1
581 . 1 1 50 50 LYS HG3 H 1 1.502 0.020 . 2 . . . . 53 K HG3 . 17239 1
582 . 1 1 50 50 LYS CA C 13 56.855 0.300 . 1 . . . . 53 K CA . 17239 1
583 . 1 1 50 50 LYS CB C 13 33.644 0.300 . 1 . . . . 53 K CB . 17239 1
584 . 1 1 50 50 LYS CD C 13 28.535 0.300 . 1 . . . . 53 K CD . 17239 1
585 . 1 1 50 50 LYS CE C 13 42.447 0.300 . 1 . . . . 53 K CE . 17239 1
586 . 1 1 50 50 LYS CG C 13 24.979 0.300 . 1 . . . . 53 K CG . 17239 1
587 . 1 1 50 50 LYS N N 15 118.112 0.300 . 1 . . . . 53 K N . 17239 1
588 . 1 1 51 51 GLU H H 1 8.326 0.020 . 1 . . . . 54 E HN . 17239 1
589 . 1 1 51 51 GLU HA H 1 4.197 0.020 . 1 . . . . 54 E HA . 17239 1
590 . 1 1 51 51 GLU HB2 H 1 1.773 0.020 . 2 . . . . 54 E HB2 . 17239 1
591 . 1 1 51 51 GLU HB3 H 1 1.516 0.020 . 2 . . . . 54 E HB3 . 17239 1
592 . 1 1 51 51 GLU HG2 H 1 2.060 0.020 . 2 . . . . 54 E HG2 . 17239 1
593 . 1 1 51 51 GLU HG3 H 1 1.862 0.020 . 2 . . . . 54 E HG3 . 17239 1
594 . 1 1 51 51 GLU CA C 13 56.478 0.300 . 1 . . . . 54 E CA . 17239 1
595 . 1 1 51 51 GLU CB C 13 28.757 0.300 . 1 . . . . 54 E CB . 17239 1
596 . 1 1 51 51 GLU CG C 13 35.381 0.300 . 1 . . . . 54 E CG . 17239 1
597 . 1 1 51 51 GLU N N 15 120.406 0.300 . 1 . . . . 54 E N . 17239 1
598 . 1 1 52 52 ILE H H 1 7.980 0.020 . 1 . . . . 55 I HN . 17239 1
599 . 1 1 52 52 ILE HA H 1 4.169 0.020 . 1 . . . . 55 I HA . 17239 1
600 . 1 1 52 52 ILE HB H 1 1.954 0.020 . 1 . . . . 55 I HB . 17239 1
601 . 1 1 52 52 ILE HD11 H 1 0.877 0.020 . 1 . . . . 55 I QD1 . 17239 1
602 . 1 1 52 52 ILE HD12 H 1 0.877 0.020 . 1 . . . . 55 I QD1 . 17239 1
603 . 1 1 52 52 ILE HD13 H 1 0.877 0.020 . 1 . . . . 55 I QD1 . 17239 1
604 . 1 1 52 52 ILE HG12 H 1 1.475 0.020 . 1 . . . . 55 I HG12 . 17239 1
605 . 1 1 52 52 ILE HG13 H 1 1.213 0.020 . 1 . . . . 55 I HG13 . 17239 1
606 . 1 1 52 52 ILE HG21 H 1 0.941 0.020 . 1 . . . . 55 I QG2 . 17239 1
607 . 1 1 52 52 ILE HG22 H 1 0.941 0.020 . 1 . . . . 55 I QG2 . 17239 1
608 . 1 1 52 52 ILE HG23 H 1 0.941 0.020 . 1 . . . . 55 I QG2 . 17239 1
609 . 1 1 52 52 ILE CA C 13 61.410 0.300 . 1 . . . . 55 I CA . 17239 1
610 . 1 1 52 52 ILE CB C 13 38.611 0.300 . 1 . . . . 55 I CB . 17239 1
611 . 1 1 52 52 ILE CD1 C 13 13.038 0.300 . 1 . . . . 55 I CD1 . 17239 1
612 . 1 1 52 52 ILE CG1 C 13 27.391 0.300 . 1 . . . . 55 I CG1 . 17239 1
613 . 1 1 52 52 ILE CG2 C 13 17.622 0.300 . 1 . . . . 55 I CG2 . 17239 1
614 . 1 1 52 52 ILE N N 15 120.527 0.300 . 1 . . . . 55 I N . 17239 1
615 . 1 1 53 53 GLY H H 1 8.480 0.020 . 1 . . . . 56 G HN . 17239 1
616 . 1 1 53 53 GLY HA2 H 1 4.004 0.020 . 2 . . . . 56 G QA . 17239 1
617 . 1 1 53 53 GLY HA3 H 1 4.004 0.020 . 2 . . . . 56 G QA . 17239 1
618 . 1 1 53 53 GLY CA C 13 45.390 0.300 . 1 . . . . 56 G CA . 17239 1
619 . 1 1 53 53 GLY N N 15 111.645 0.300 . 1 . . . . 56 G N . 17239 1
620 . 1 1 54 54 THR H H 1 8.019 0.020 . 1 . . . . 57 T HN . 17239 1
621 . 1 1 54 54 THR HA H 1 4.342 0.020 . 1 . . . . 57 T HA . 17239 1
622 . 1 1 54 54 THR HB H 1 4.174 0.020 . 1 . . . . 57 T HB . 17239 1
623 . 1 1 54 54 THR HG21 H 1 1.131 0.020 . 1 . . . . 57 T QG2 . 17239 1
624 . 1 1 54 54 THR HG22 H 1 1.131 0.020 . 1 . . . . 57 T QG2 . 17239 1
625 . 1 1 54 54 THR HG23 H 1 1.131 0.020 . 1 . . . . 57 T QG2 . 17239 1
626 . 1 1 54 54 THR CA C 13 61.748 0.300 . 1 . . . . 57 T CA . 17239 1
627 . 1 1 54 54 THR CB C 13 69.991 0.300 . 1 . . . . 57 T CB . 17239 1
628 . 1 1 54 54 THR CG2 C 13 21.609 0.300 . 1 . . . . 57 T CG2 . 17239 1
629 . 1 1 54 54 THR N N 15 113.047 0.300 . 1 . . . . 57 T N . 17239 1
630 . 1 1 55 55 PHE H H 1 8.447 0.020 . 1 . . . . 58 F HN . 17239 1
631 . 1 1 55 55 PHE HA H 1 4.747 0.020 . 1 . . . . 58 F HA . 17239 1
632 . 1 1 55 55 PHE HB2 H 1 3.196 0.020 . 2 . . . . 58 F HB2 . 17239 1
633 . 1 1 55 55 PHE HB3 H 1 3.072 0.020 . 2 . . . . 58 F HB3 . 17239 1
634 . 1 1 55 55 PHE HD1 H 1 7.287 0.020 . 3 . . . . 58 F QD . 17239 1
635 . 1 1 55 55 PHE HD2 H 1 7.287 0.020 . 3 . . . . 58 F QD . 17239 1
636 . 1 1 55 55 PHE HE1 H 1 7.329 0.020 . 3 . . . . 58 F QE . 17239 1
637 . 1 1 55 55 PHE HE2 H 1 7.329 0.020 . 3 . . . . 58 F QE . 17239 1
638 . 1 1 55 55 PHE HZ H 1 7.243 0.020 . 1 . . . . 58 F HZ . 17239 1
639 . 1 1 55 55 PHE CA C 13 57.851 0.300 . 1 . . . . 58 F CA . 17239 1
640 . 1 1 55 55 PHE CB C 13 39.696 0.300 . 1 . . . . 58 F CB . 17239 1
641 . 1 1 55 55 PHE CD1 C 13 131.579 0.300 . 3 . . . . 58 F CD1 . 17239 1
642 . 1 1 55 55 PHE CE1 C 13 131.637 0.300 . 3 . . . . 58 F CE1 . 17239 1
643 . 1 1 55 55 PHE CZ C 13 129.752 0.300 . 1 . . . . 58 F CZ . 17239 1
644 . 1 1 55 55 PHE N N 15 122.414 0.300 . 1 . . . . 58 F N . 17239 1
645 . 1 1 56 56 THR H H 1 8.172 0.020 . 1 . . . . 59 T HN . 17239 1
646 . 1 1 56 56 THR HA H 1 4.357 0.020 . 1 . . . . 59 T HA . 17239 1
647 . 1 1 56 56 THR HB H 1 4.211 0.020 . 1 . . . . 59 T HB . 17239 1
648 . 1 1 56 56 THR HG21 H 1 1.180 0.020 . 1 . . . . 59 T QG2 . 17239 1
649 . 1 1 56 56 THR HG22 H 1 1.180 0.020 . 1 . . . . 59 T QG2 . 17239 1
650 . 1 1 56 56 THR HG23 H 1 1.180 0.020 . 1 . . . . 59 T QG2 . 17239 1
651 . 1 1 56 56 THR CA C 13 61.536 0.300 . 1 . . . . 59 T CA . 17239 1
652 . 1 1 56 56 THR CB C 13 69.937 0.300 . 1 . . . . 59 T CB . 17239 1
653 . 1 1 56 56 THR CG2 C 13 21.439 0.300 . 1 . . . . 59 T CG2 . 17239 1
654 . 1 1 56 56 THR N N 15 115.561 0.300 . 1 . . . . 59 T N . 17239 1
655 . 1 1 57 57 ASP H H 1 8.341 0.020 . 1 . . . . 60 D HN . 17239 1
656 . 1 1 57 57 ASP HA H 1 4.622 0.020 . 1 . . . . 60 D HA . 17239 1
657 . 1 1 57 57 ASP HB2 H 1 2.724 0.020 . 2 . . . . 60 D HB2 . 17239 1
658 . 1 1 57 57 ASP HB3 H 1 2.615 0.020 . 2 . . . . 60 D HB3 . 17239 1
659 . 1 1 57 57 ASP CA C 13 54.345 0.300 . 1 . . . . 60 D CA . 17239 1
660 . 1 1 57 57 ASP CB C 13 41.264 0.300 . 1 . . . . 60 D CB . 17239 1
661 . 1 1 57 57 ASP N N 15 122.410 0.300 . 1 . . . . 60 D N . 17239 1
662 . 1 1 58 58 GLU H H 1 8.365 0.020 . 1 . . . . 61 E HN . 17239 1
663 . 1 1 58 58 GLU HA H 1 4.329 0.020 . 1 . . . . 61 E HA . 17239 1
664 . 1 1 58 58 GLU HB2 H 1 2.075 0.020 . 2 . . . . 61 E HB2 . 17239 1
665 . 1 1 58 58 GLU HB3 H 1 1.929 0.020 . 2 . . . . 61 E HB3 . 17239 1
666 . 1 1 58 58 GLU HG2 H 1 2.308 0.020 . 2 . . . . 61 E HG2 . 17239 1
667 . 1 1 58 58 GLU HG3 H 1 2.250 0.020 . 2 . . . . 61 E HG3 . 17239 1
668 . 1 1 58 58 GLU CA C 13 56.590 0.300 . 1 . . . . 61 E CA . 17239 1
669 . 1 1 58 58 GLU CB C 13 30.465 0.300 . 1 . . . . 61 E CB . 17239 1
670 . 1 1 58 58 GLU CG C 13 36.213 0.300 . 1 . . . . 61 E CG . 17239 1
671 . 1 1 58 58 GLU N N 15 121.191 0.300 . 1 . . . . 61 E N . 17239 1
672 . 1 1 59 59 VAL H H 1 7.851 0.020 . 1 . . . . 62 V HN . 17239 1
673 . 1 1 59 59 VAL HA H 1 4.026 0.020 . 1 . . . . 62 V HA . 17239 1
674 . 1 1 59 59 VAL HB H 1 2.079 0.020 . 1 . . . . 62 V HB . 17239 1
675 . 1 1 59 59 VAL HG11 H 1 0.900 0.020 . 2 . . . . 62 V QG1 . 17239 1
676 . 1 1 59 59 VAL HG12 H 1 0.900 0.020 . 2 . . . . 62 V QG1 . 17239 1
677 . 1 1 59 59 VAL HG13 H 1 0.900 0.020 . 2 . . . . 62 V QG1 . 17239 1
678 . 1 1 59 59 VAL HG21 H 1 0.884 0.020 . 2 . . . . 62 V QG2 . 17239 1
679 . 1 1 59 59 VAL HG22 H 1 0.884 0.020 . 2 . . . . 62 V QG2 . 17239 1
680 . 1 1 59 59 VAL HG23 H 1 0.884 0.020 . 2 . . . . 62 V QG2 . 17239 1
681 . 1 1 59 59 VAL CA C 13 63.708 0.300 . 1 . . . . 62 V CA . 17239 1
682 . 1 1 59 59 VAL CB C 13 33.202 0.300 . 1 . . . . 62 V CB . 17239 1
683 . 1 1 59 59 VAL CG1 C 13 21.665 0.300 . 2 . . . . 62 V CG1 . 17239 1
684 . 1 1 59 59 VAL CG2 C 13 20.227 0.300 . 2 . . . . 62 V CG2 . 17239 1
685 . 1 1 59 59 VAL N N 15 124.888 0.300 . 1 . . . . 62 V N . 17239 1
stop_
save_