Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17104
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 15N-1H HSQC' . . . 17104 1
2 '4D APSY-HACANH' . . . 17104 1
3 '5D APSY-HACACONH' . . . 17104 1
4 '5D APSY-CBCACONH' . . . 17104 1
5 '15N-resolved [1H,1H]-NOESY' . . . 17104 1
6 '13C(aliphatic)-resolved [1H,1H]-NOESY' . . . 17104 1
7 '13C(aromatic)-resolved [1H,1H]-NOESY' . . . 17104 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $UNIO . . 17104 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 3.782 0.014 . 2 . . . . 1 G QA . 17104 1
2 . 1 1 1 1 GLY HA3 H 1 3.782 0.014 . 2 . . . . 1 G QA . 17104 1
3 . 1 1 1 1 GLY CA C 13 43.366 0.18 . 1 . . . . 1 G CA . 17104 1
4 . 1 1 2 2 ALA HA H 1 4.300 0.014 . 1 . . . . 2 A HA . 17104 1
5 . 1 1 2 2 ALA HB1 H 1 1.309 0.014 . 1 . . . . 2 A QB . 17104 1
6 . 1 1 2 2 ALA HB2 H 1 1.309 0.014 . 1 . . . . 2 A QB . 17104 1
7 . 1 1 2 2 ALA HB3 H 1 1.309 0.014 . 1 . . . . 2 A QB . 17104 1
8 . 1 1 2 2 ALA CA C 13 52.460 0.18 . 1 . . . . 2 A CA . 17104 1
9 . 1 1 2 2 ALA CB C 13 19.449 0.18 . 1 . . . . 2 A CB . 17104 1
10 . 1 1 3 3 ALA H H 1 8.413 0.014 . 1 . . . . 3 A H . 17104 1
11 . 1 1 3 3 ALA HA H 1 4.339 0.014 . 1 . . . . 3 A HA . 17104 1
12 . 1 1 3 3 ALA HB1 H 1 1.360 0.014 . 1 . . . . 3 A QB . 17104 1
13 . 1 1 3 3 ALA HB2 H 1 1.360 0.014 . 1 . . . . 3 A QB . 17104 1
14 . 1 1 3 3 ALA HB3 H 1 1.360 0.014 . 1 . . . . 3 A QB . 17104 1
15 . 1 1 3 3 ALA CA C 13 52.424 0.18 . 1 . . . . 3 A CA . 17104 1
16 . 1 1 3 3 ALA CB C 13 19.635 0.18 . 1 . . . . 3 A CB . 17104 1
17 . 1 1 3 3 ALA N N 15 123.639 0.12 . 1 . . . . 3 A N . 17104 1
18 . 1 1 4 4 GLY H H 1 8.405 0.014 . 1 . . . . 4 G H . 17104 1
19 . 1 1 4 4 GLY HA2 H 1 4.012 0.014 . 2 . . . . 4 G QA . 17104 1
20 . 1 1 4 4 GLY HA3 H 1 4.012 0.014 . 2 . . . . 4 G QA . 17104 1
21 . 1 1 4 4 GLY CA C 13 45.640 0.18 . 1 . . . . 4 G CA . 17104 1
22 . 1 1 4 4 GLY N N 15 108.502 0.12 . 1 . . . . 4 G N . 17104 1
23 . 1 1 5 5 ILE H H 1 8.048 0.014 . 1 . . . . 5 I H . 17104 1
24 . 1 1 5 5 ILE HA H 1 4.281 0.014 . 1 . . . . 5 I HA . 17104 1
25 . 1 1 5 5 ILE HB H 1 2.029 0.014 . 1 . . . . 5 I HB . 17104 1
26 . 1 1 5 5 ILE HD11 H 1 0.590 0.014 . 1 . . . . 5 I QD1 . 17104 1
27 . 1 1 5 5 ILE HD12 H 1 0.590 0.014 . 1 . . . . 5 I QD1 . 17104 1
28 . 1 1 5 5 ILE HD13 H 1 0.590 0.014 . 1 . . . . 5 I QD1 . 17104 1
29 . 1 1 5 5 ILE HG12 H 1 1.333 0.014 . 2 . . . . 5 I HG12 . 17104 1
30 . 1 1 5 5 ILE HG13 H 1 1.123 0.014 . 2 . . . . 5 I HG13 . 17104 1
31 . 1 1 5 5 ILE HG21 H 1 0.816 0.014 . 1 . . . . 5 I QG2 . 17104 1
32 . 1 1 5 5 ILE HG22 H 1 0.816 0.014 . 1 . . . . 5 I QG2 . 17104 1
33 . 1 1 5 5 ILE HG23 H 1 0.816 0.014 . 1 . . . . 5 I QG2 . 17104 1
34 . 1 1 5 5 ILE CA C 13 62.915 0.18 . 1 . . . . 5 I CA . 17104 1
35 . 1 1 5 5 ILE CB C 13 38.592 0.18 . 1 . . . . 5 I CB . 17104 1
36 . 1 1 5 5 ILE CD1 C 13 13.738 0.18 . 1 . . . . 5 I CD1 . 17104 1
37 . 1 1 5 5 ILE CG1 C 13 26.218 0.18 . 1 . . . . 5 I CG1 . 17104 1
38 . 1 1 5 5 ILE CG2 C 13 18.111 0.18 . 1 . . . . 5 I CG2 . 17104 1
39 . 1 1 5 5 ILE N N 15 114.402 0.12 . 1 . . . . 5 I N . 17104 1
40 . 1 1 6 6 ASP H H 1 8.285 0.014 . 1 . . . . 6 D H . 17104 1
41 . 1 1 6 6 ASP HA H 1 4.612 0.014 . 1 . . . . 6 D HA . 17104 1
42 . 1 1 6 6 ASP HB2 H 1 2.661 0.014 . 2 . . . . 6 D HB2 . 17104 1
43 . 1 1 6 6 ASP HB3 H 1 2.710 0.014 . 2 . . . . 6 D HB3 . 17104 1
44 . 1 1 6 6 ASP CA C 13 57.008 0.18 . 1 . . . . 6 D CA . 17104 1
45 . 1 1 6 6 ASP CB C 13 39.979 0.18 . 1 . . . . 6 D CB . 17104 1
46 . 1 1 6 6 ASP N N 15 121.512 0.12 . 1 . . . . 6 D N . 17104 1
47 . 1 1 7 7 GLN H H 1 8.136 0.014 . 1 . . . . 7 Q H . 17104 1
48 . 1 1 7 7 GLN HA H 1 4.093 0.014 . 1 . . . . 7 Q HA . 17104 1
49 . 1 1 7 7 GLN HB2 H 1 1.827 0.014 . 2 . . . . 7 Q HB2 . 17104 1
50 . 1 1 7 7 GLN HB3 H 1 1.609 0.014 . 2 . . . . 7 Q HB3 . 17104 1
51 . 1 1 7 7 GLN HE21 H 1 6.699 0.014 . 2 . . . . 7 Q HE21 . 17104 1
52 . 1 1 7 7 GLN HE22 H 1 7.190 0.014 . 2 . . . . 7 Q HE22 . 17104 1
53 . 1 1 7 7 GLN HG2 H 1 1.600 0.014 . 2 . . . . 7 Q HG2 . 17104 1
54 . 1 1 7 7 GLN HG3 H 1 1.149 0.014 . 2 . . . . 7 Q HG3 . 17104 1
55 . 1 1 7 7 GLN CA C 13 57.538 0.18 . 1 . . . . 7 Q CA . 17104 1
56 . 1 1 7 7 GLN CB C 13 28.200 0.18 . 1 . . . . 7 Q CB . 17104 1
57 . 1 1 7 7 GLN CG C 13 32.433 0.18 . 1 . . . . 7 Q CG . 17104 1
58 . 1 1 7 7 GLN N N 15 118.427 0.12 . 1 . . . . 7 Q N . 17104 1
59 . 1 1 7 7 GLN NE2 N 15 111.896 0.12 . 1 . . . . 7 Q NE2 . 17104 1
60 . 1 1 8 8 TYR H H 1 7.951 0.014 . 1 . . . . 8 Y H . 17104 1
61 . 1 1 8 8 TYR HA H 1 4.801 0.014 . 1 . . . . 8 Y HA . 17104 1
62 . 1 1 8 8 TYR HB2 H 1 3.141 0.014 . 2 . . . . 8 Y HB2 . 17104 1
63 . 1 1 8 8 TYR HB3 H 1 3.789 0.014 . 2 . . . . 8 Y HB3 . 17104 1
64 . 1 1 8 8 TYR HD1 H 1 7.143 0.014 . 3 . . . . 8 Y QD . 17104 1
65 . 1 1 8 8 TYR HD2 H 1 7.143 0.014 . 3 . . . . 8 Y QD . 17104 1
66 . 1 1 8 8 TYR HE1 H 1 6.622 0.014 . 3 . . . . 8 Y QE . 17104 1
67 . 1 1 8 8 TYR HE2 H 1 6.622 0.014 . 3 . . . . 8 Y QE . 17104 1
68 . 1 1 8 8 TYR CA C 13 57.364 0.18 . 1 . . . . 8 Y CA . 17104 1
69 . 1 1 8 8 TYR CB C 13 39.111 0.18 . 1 . . . . 8 Y CB . 17104 1
70 . 1 1 8 8 TYR CD1 C 13 132.893 0.18 . 3 . . . . 8 Y CD1 . 17104 1
71 . 1 1 8 8 TYR CD2 C 13 132.893 0.18 . 3 . . . . 8 Y CD2 . 17104 1
72 . 1 1 8 8 TYR CE1 C 13 118.370 0.18 . 3 . . . . 8 Y CE1 . 17104 1
73 . 1 1 8 8 TYR CE2 C 13 118.370 0.18 . 3 . . . . 8 Y CE2 . 17104 1
74 . 1 1 8 8 TYR N N 15 117.688 0.12 . 1 . . . . 8 Y N . 17104 1
75 . 1 1 9 9 ALA H H 1 7.566 0.014 . 1 . . . . 9 A H . 17104 1
76 . 1 1 9 9 ALA HA H 1 4.297 0.014 . 1 . . . . 9 A HA . 17104 1
77 . 1 1 9 9 ALA HB1 H 1 1.363 0.014 . 1 . . . . 9 A QB . 17104 1
78 . 1 1 9 9 ALA HB2 H 1 1.363 0.014 . 1 . . . . 9 A QB . 17104 1
79 . 1 1 9 9 ALA HB3 H 1 1.363 0.014 . 1 . . . . 9 A QB . 17104 1
80 . 1 1 9 9 ALA CA C 13 53.135 0.18 . 1 . . . . 9 A CA . 17104 1
81 . 1 1 9 9 ALA CB C 13 19.315 0.18 . 1 . . . . 9 A CB . 17104 1
82 . 1 1 9 9 ALA N N 15 123.667 0.12 . 1 . . . . 9 A N . 17104 1
83 . 1 1 10 10 LEU H H 1 8.083 0.014 . 1 . . . . 10 L H . 17104 1
84 . 1 1 10 10 LEU HA H 1 4.816 0.014 . 1 . . . . 10 L HA . 17104 1
85 . 1 1 10 10 LEU HB2 H 1 1.276 0.014 . 2 . . . . 10 L HB2 . 17104 1
86 . 1 1 10 10 LEU HB3 H 1 1.598 0.014 . 2 . . . . 10 L HB3 . 17104 1
87 . 1 1 10 10 LEU HD11 H 1 0.876 0.014 . 1 . . . . 10 L QD1 . 17104 1
88 . 1 1 10 10 LEU HD12 H 1 0.876 0.014 . 1 . . . . 10 L QD1 . 17104 1
89 . 1 1 10 10 LEU HD13 H 1 0.876 0.014 . 1 . . . . 10 L QD1 . 17104 1
90 . 1 1 10 10 LEU HD21 H 1 1.042 0.014 . 1 . . . . 10 L QD2 . 17104 1
91 . 1 1 10 10 LEU HD22 H 1 1.042 0.014 . 1 . . . . 10 L QD2 . 17104 1
92 . 1 1 10 10 LEU HD23 H 1 1.042 0.014 . 1 . . . . 10 L QD2 . 17104 1
93 . 1 1 10 10 LEU HG H 1 1.732 0.014 . 1 . . . . 10 L HG . 17104 1
94 . 1 1 10 10 LEU CA C 13 53.291 0.18 . 1 . . . . 10 L CA . 17104 1
95 . 1 1 10 10 LEU CB C 13 46.284 0.18 . 1 . . . . 10 L CB . 17104 1
96 . 1 1 10 10 LEU CD1 C 13 26.044 0.18 . 2 . . . . 10 L CD1 . 17104 1
97 . 1 1 10 10 LEU CD2 C 13 23.142 0.18 . 2 . . . . 10 L CD2 . 17104 1
98 . 1 1 10 10 LEU CG C 13 26.676 0.18 . 1 . . . . 10 L CG . 17104 1
99 . 1 1 10 10 LEU N N 15 122.507 0.12 . 1 . . . . 10 L N . 17104 1
100 . 1 1 11 11 LYS H H 1 8.860 0.014 . 1 . . . . 11 K H . 17104 1
101 . 1 1 11 11 LYS HA H 1 4.500 0.014 . 1 . . . . 11 K HA . 17104 1
102 . 1 1 11 11 LYS HB2 H 1 1.948 0.014 . 2 . . . . 11 K HB2 . 17104 1
103 . 1 1 11 11 LYS HB3 H 1 1.719 0.014 . 2 . . . . 11 K HB3 . 17104 1
104 . 1 1 11 11 LYS HD2 H 1 1.644 0.014 . 2 . . . . 11 K HD2 . 17104 1
105 . 1 1 11 11 LYS HD3 H 1 1.526 0.014 . 2 . . . . 11 K HD3 . 17104 1
106 . 1 1 11 11 LYS HE2 H 1 2.936 0.014 . 2 . . . . 11 K QE . 17104 1
107 . 1 1 11 11 LYS HE3 H 1 2.936 0.014 . 2 . . . . 11 K QE . 17104 1
108 . 1 1 11 11 LYS HG2 H 1 1.442 0.014 . 2 . . . . 11 K HG2 . 17104 1
109 . 1 1 11 11 LYS HG3 H 1 1.374 0.014 . 2 . . . . 11 K HG3 . 17104 1
110 . 1 1 11 11 LYS CA C 13 55.661 0.18 . 1 . . . . 11 K CA . 17104 1
111 . 1 1 11 11 LYS CB C 13 33.919 0.18 . 1 . . . . 11 K CB . 17104 1
112 . 1 1 11 11 LYS CD C 13 29.174 0.18 . 1 . . . . 11 K CD . 17104 1
113 . 1 1 11 11 LYS CE C 13 42.147 0.18 . 1 . . . . 11 K CE . 17104 1
114 . 1 1 11 11 LYS CG C 13 25.223 0.18 . 1 . . . . 11 K CG . 17104 1
115 . 1 1 11 11 LYS N N 15 116.894 0.12 . 1 . . . . 11 K N . 17104 1
116 . 1 1 12 12 GLU H H 1 7.505 0.014 . 1 . . . . 12 E H . 17104 1
117 . 1 1 12 12 GLU HA H 1 5.146 0.014 . 1 . . . . 12 E HA . 17104 1
118 . 1 1 12 12 GLU HB2 H 1 1.962 0.014 . 2 . . . . 12 E HB2 . 17104 1
119 . 1 1 12 12 GLU HB3 H 1 1.737 0.014 . 2 . . . . 12 E HB3 . 17104 1
120 . 1 1 12 12 GLU HG2 H 1 1.827 0.014 . 2 . . . . 12 E HG2 . 17104 1
121 . 1 1 12 12 GLU HG3 H 1 1.995 0.014 . 2 . . . . 12 E HG3 . 17104 1
122 . 1 1 12 12 GLU CA C 13 54.195 0.18 . 1 . . . . 12 E CA . 17104 1
123 . 1 1 12 12 GLU CB C 13 32.891 0.18 . 1 . . . . 12 E CB . 17104 1
124 . 1 1 12 12 GLU CG C 13 34.639 0.18 . 1 . . . . 12 E CG . 17104 1
125 . 1 1 12 12 GLU N N 15 115.335 0.12 . 1 . . . . 12 E N . 17104 1
126 . 1 1 13 13 PHE H H 1 8.374 0.014 . 1 . . . . 13 F H . 17104 1
127 . 1 1 13 13 PHE HA H 1 4.833 0.014 . 1 . . . . 13 F HA . 17104 1
128 . 1 1 13 13 PHE HB2 H 1 2.946 0.014 . 2 . . . . 13 F HB2 . 17104 1
129 . 1 1 13 13 PHE HB3 H 1 3.053 0.014 . 2 . . . . 13 F HB3 . 17104 1
130 . 1 1 13 13 PHE HD1 H 1 6.645 0.014 . 3 . . . . 13 F QD . 17104 1
131 . 1 1 13 13 PHE HD2 H 1 6.645 0.014 . 3 . . . . 13 F QD . 17104 1
132 . 1 1 13 13 PHE HE1 H 1 6.596 0.014 . 3 . . . . 13 F QE . 17104 1
133 . 1 1 13 13 PHE HE2 H 1 6.596 0.014 . 3 . . . . 13 F QE . 17104 1
134 . 1 1 13 13 PHE CA C 13 56.750 0.18 . 1 . . . . 13 F CA . 17104 1
135 . 1 1 13 13 PHE CB C 13 39.511 0.18 . 1 . . . . 13 F CB . 17104 1
136 . 1 1 13 13 PHE CD1 C 13 132.098 0.18 . 3 . . . . 13 F CD1 . 17104 1
137 . 1 1 13 13 PHE CD2 C 13 132.098 0.18 . 3 . . . . 13 F CD2 . 17104 1
138 . 1 1 13 13 PHE CE1 C 13 130.857 0.18 . 3 . . . . 13 F CE1 . 17104 1
139 . 1 1 13 13 PHE CE2 C 13 130.857 0.18 . 3 . . . . 13 F CE2 . 17104 1
140 . 1 1 13 13 PHE CZ C 13 130.561 0.18 . 1 . . . . 13 F CZ . 17104 1
141 . 1 1 13 13 PHE N N 15 116.356 0.12 . 1 . . . . 13 F N . 17104 1
142 . 1 1 14 14 THR H H 1 8.664 0.014 . 1 . . . . 14 T H . 17104 1
143 . 1 1 14 14 THR HA H 1 5.085 0.014 . 1 . . . . 14 T HA . 17104 1
144 . 1 1 14 14 THR HB H 1 3.740 0.014 . 1 . . . . 14 T HB . 17104 1
145 . 1 1 14 14 THR HG21 H 1 0.863 0.014 . 1 . . . . 14 T QG2 . 17104 1
146 . 1 1 14 14 THR HG22 H 1 0.863 0.014 . 1 . . . . 14 T QG2 . 17104 1
147 . 1 1 14 14 THR HG23 H 1 0.863 0.014 . 1 . . . . 14 T QG2 . 17104 1
148 . 1 1 14 14 THR CA C 13 60.890 0.18 . 1 . . . . 14 T CA . 17104 1
149 . 1 1 14 14 THR CB C 13 70.624 0.18 . 1 . . . . 14 T CB . 17104 1
150 . 1 1 14 14 THR CG2 C 13 21.165 0.18 . 1 . . . . 14 T CG2 . 17104 1
151 . 1 1 14 14 THR N N 15 116.189 0.12 . 1 . . . . 14 T N . 17104 1
152 . 1 1 15 15 ALA H H 1 8.881 0.014 . 1 . . . . 15 A H . 17104 1
153 . 1 1 15 15 ALA HA H 1 4.510 0.014 . 1 . . . . 15 A HA . 17104 1
154 . 1 1 15 15 ALA HB1 H 1 1.213 0.014 . 1 . . . . 15 A QB . 17104 1
155 . 1 1 15 15 ALA HB2 H 1 1.213 0.014 . 1 . . . . 15 A QB . 17104 1
156 . 1 1 15 15 ALA HB3 H 1 1.213 0.014 . 1 . . . . 15 A QB . 17104 1
157 . 1 1 15 15 ALA CA C 13 51.890 0.18 . 1 . . . . 15 A CA . 17104 1
158 . 1 1 15 15 ALA CB C 13 21.486 0.18 . 1 . . . . 15 A CB . 17104 1
159 . 1 1 15 15 ALA N N 15 126.925 0.12 . 1 . . . . 15 A N . 17104 1
160 . 1 1 16 16 ASP H H 1 9.232 0.014 . 1 . . . . 16 D H . 17104 1
161 . 1 1 16 16 ASP HA H 1 3.955 0.014 . 1 . . . . 16 D HA . 17104 1
162 . 1 1 16 16 ASP HB2 H 1 2.811 0.014 . 2 . . . . 16 D HB2 . 17104 1
163 . 1 1 16 16 ASP HB3 H 1 2.770 0.014 . 2 . . . . 16 D HB3 . 17104 1
164 . 1 1 16 16 ASP CA C 13 55.727 0.18 . 1 . . . . 16 D CA . 17104 1
165 . 1 1 16 16 ASP CB C 13 39.177 0.18 . 1 . . . . 16 D CB . 17104 1
166 . 1 1 16 16 ASP N N 15 123.296 0.12 . 1 . . . . 16 D N . 17104 1
167 . 1 1 17 17 PHE H H 1 8.412 0.014 . 1 . . . . 17 F H . 17104 1
168 . 1 1 17 17 PHE HA H 1 3.836 0.014 . 1 . . . . 17 F HA . 17104 1
169 . 1 1 17 17 PHE HB2 H 1 3.299 0.014 . 2 . . . . 17 F HB2 . 17104 1
170 . 1 1 17 17 PHE HB3 H 1 3.198 0.014 . 2 . . . . 17 F HB3 . 17104 1
171 . 1 1 17 17 PHE HD1 H 1 7.126 0.014 . 3 . . . . 17 F HD1 . 17104 1
172 . 1 1 17 17 PHE HD2 H 1 7.310 0.014 . 3 . . . . 17 F HD2 . 17104 1
173 . 1 1 17 17 PHE HZ H 1 7.247 0.014 . 1 . . . . 17 F HZ . 17104 1
174 . 1 1 17 17 PHE CA C 13 59.747 0.18 . 1 . . . . 17 F CA . 17104 1
175 . 1 1 17 17 PHE CB C 13 36.553 0.18 . 1 . . . . 17 F CB . 17104 1
176 . 1 1 17 17 PHE CD1 C 13 131.714 0.18 . 3 . . . . 17 F CD1 . 17104 1
177 . 1 1 17 17 PHE CD2 C 13 131.761 0.18 . 3 . . . . 17 F CD2 . 17104 1
178 . 1 1 17 17 PHE CZ C 13 129.497 0.18 . 1 . . . . 17 F CZ . 17104 1
179 . 1 1 17 17 PHE N N 15 110.216 0.12 . 1 . . . . 17 F N . 17104 1
180 . 1 1 18 18 THR H H 1 7.867 0.014 . 1 . . . . 18 T H . 17104 1
181 . 1 1 18 18 THR HA H 1 4.213 0.014 . 1 . . . . 18 T HA . 17104 1
182 . 1 1 18 18 THR HB H 1 3.881 0.014 . 1 . . . . 18 T HB . 17104 1
183 . 1 1 18 18 THR HG21 H 1 0.404 0.014 . 1 . . . . 18 T QG2 . 17104 1
184 . 1 1 18 18 THR HG22 H 1 0.404 0.014 . 1 . . . . 18 T QG2 . 17104 1
185 . 1 1 18 18 THR HG23 H 1 0.404 0.014 . 1 . . . . 18 T QG2 . 17104 1
186 . 1 1 18 18 THR CA C 13 61.853 0.18 . 1 . . . . 18 T CA . 17104 1
187 . 1 1 18 18 THR CB C 13 70.998 0.18 . 1 . . . . 18 T CB . 17104 1
188 . 1 1 18 18 THR CG2 C 13 20.715 0.18 . 1 . . . . 18 T CG2 . 17104 1
189 . 1 1 18 18 THR N N 15 117.575 0.12 . 1 . . . . 18 T N . 17104 1
190 . 1 1 19 19 GLN H H 1 8.115 0.014 . 1 . . . . 19 Q H . 17104 1
191 . 1 1 19 19 GLN HA H 1 4.376 0.014 . 1 . . . . 19 Q HA . 17104 1
192 . 1 1 19 19 GLN HB2 H 1 1.658 0.014 . 2 . . . . 19 Q HB2 . 17104 1
193 . 1 1 19 19 GLN HB3 H 1 1.588 0.014 . 2 . . . . 19 Q HB3 . 17104 1
194 . 1 1 19 19 GLN HE21 H 1 6.670 0.014 . 2 . . . . 19 Q HE21 . 17104 1
195 . 1 1 19 19 GLN HE22 H 1 7.510 0.014 . 2 . . . . 19 Q HE22 . 17104 1
196 . 1 1 19 19 GLN HG2 H 1 1.873 0.014 . 2 . . . . 19 Q HG2 . 17104 1
197 . 1 1 19 19 GLN HG3 H 1 1.892 0.014 . 2 . . . . 19 Q HG3 . 17104 1
198 . 1 1 19 19 GLN CA C 13 54.876 0.18 . 1 . . . . 19 Q CA . 17104 1
199 . 1 1 19 19 GLN CB C 13 29.878 0.18 . 1 . . . . 19 Q CB . 17104 1
200 . 1 1 19 19 GLN CG C 13 34.058 0.18 . 1 . . . . 19 Q CG . 17104 1
201 . 1 1 19 19 GLN N N 15 124.382 0.12 . 1 . . . . 19 Q N . 17104 1
202 . 1 1 19 19 GLN NE2 N 15 112.224 0.12 . 1 . . . . 19 Q NE2 . 17104 1
203 . 1 1 20 20 PHE H H 1 8.520 0.014 . 1 . . . . 20 F H . 17104 1
204 . 1 1 20 20 PHE HA H 1 4.352 0.014 . 1 . . . . 20 F HA . 17104 1
205 . 1 1 20 20 PHE HB2 H 1 2.158 0.014 . 2 . . . . 20 F HB2 . 17104 1
206 . 1 1 20 20 PHE HB3 H 1 0.965 0.014 . 2 . . . . 20 F HB3 . 17104 1
207 . 1 1 20 20 PHE HD1 H 1 6.539 0.014 . 3 . . . . 20 F QD . 17104 1
208 . 1 1 20 20 PHE HD2 H 1 6.539 0.014 . 3 . . . . 20 F QD . 17104 1
209 . 1 1 20 20 PHE HE1 H 1 7.273 0.014 . 3 . . . . 20 F QE . 17104 1
210 . 1 1 20 20 PHE HE2 H 1 7.273 0.014 . 3 . . . . 20 F QE . 17104 1
211 . 1 1 20 20 PHE HZ H 1 7.038 0.014 . 1 . . . . 20 F HZ . 17104 1
212 . 1 1 20 20 PHE CA C 13 57.384 0.18 . 1 . . . . 20 F CA . 17104 1
213 . 1 1 20 20 PHE CB C 13 43.007 0.18 . 1 . . . . 20 F CB . 17104 1
214 . 1 1 20 20 PHE CD1 C 13 132.167 0.18 . 3 . . . . 20 F CD1 . 17104 1
215 . 1 1 20 20 PHE CD2 C 13 132.167 0.18 . 3 . . . . 20 F CD2 . 17104 1
216 . 1 1 20 20 PHE CE1 C 13 131.176 0.18 . 3 . . . . 20 F CE1 . 17104 1
217 . 1 1 20 20 PHE CE2 C 13 131.176 0.18 . 3 . . . . 20 F CE2 . 17104 1
218 . 1 1 20 20 PHE CZ C 13 128.909 0.18 . 1 . . . . 20 F CZ . 17104 1
219 . 1 1 20 20 PHE N N 15 123.303 0.12 . 1 . . . . 20 F N . 17104 1
220 . 1 1 21 21 HIS H H 1 8.794 0.014 . 1 . . . . 21 H H . 17104 1
221 . 1 1 21 21 HIS HA H 1 5.054 0.014 . 1 . . . . 21 H HA . 17104 1
222 . 1 1 21 21 HIS HB2 H 1 3.436 0.014 . 2 . . . . 21 H HB2 . 17104 1
223 . 1 1 21 21 HIS HB3 H 1 2.775 0.014 . 2 . . . . 21 H HB3 . 17104 1
224 . 1 1 21 21 HIS HD2 H 1 7.286 0.014 . 1 . . . . 21 H HD2 . 17104 1
225 . 1 1 21 21 HIS HE1 H 1 8.300 0.014 . 1 . . . . 21 H HE1 . 17104 1
226 . 1 1 21 21 HIS CA C 13 53.372 0.18 . 1 . . . . 21 H CA . 17104 1
227 . 1 1 21 21 HIS CB C 13 31.369 0.18 . 1 . . . . 21 H CB . 17104 1
228 . 1 1 21 21 HIS CD2 C 13 120.140 0.18 . 1 . . . . 21 H CD2 . 17104 1
229 . 1 1 21 21 HIS CE1 C 13 135.714 0.18 . 1 . . . . 21 H CE1 . 17104 1
230 . 1 1 21 21 HIS N N 15 116.757 0.12 . 1 . . . . 21 H N . 17104 1
231 . 1 1 22 22 ILE H H 1 7.578 0.014 . 1 . . . . 22 I H . 17104 1
232 . 1 1 22 22 ILE HA H 1 3.391 0.014 . 1 . . . . 22 I HA . 17104 1
233 . 1 1 22 22 ILE HB H 1 1.929 0.014 . 1 . . . . 22 I HB . 17104 1
234 . 1 1 22 22 ILE HD11 H 1 0.786 0.014 . 1 . . . . 22 I QD1 . 17104 1
235 . 1 1 22 22 ILE HD12 H 1 0.786 0.014 . 1 . . . . 22 I QD1 . 17104 1
236 . 1 1 22 22 ILE HD13 H 1 0.786 0.014 . 1 . . . . 22 I QD1 . 17104 1
237 . 1 1 22 22 ILE HG12 H 1 1.540 0.014 . 1 . . . . 22 I QG1 . 17104 1
238 . 1 1 22 22 ILE HG13 H 1 1.540 0.014 . 1 . . . . 22 I QG1 . 17104 1
239 . 1 1 22 22 ILE HG21 H 1 0.879 0.014 . 1 . . . . 22 I QG2 . 17104 1
240 . 1 1 22 22 ILE HG22 H 1 0.879 0.014 . 1 . . . . 22 I QG2 . 17104 1
241 . 1 1 22 22 ILE HG23 H 1 0.879 0.014 . 1 . . . . 22 I QG2 . 17104 1
242 . 1 1 22 22 ILE CA C 13 63.155 0.18 . 1 . . . . 22 I CA . 17104 1
243 . 1 1 22 22 ILE CB C 13 35.958 0.18 . 1 . . . . 22 I CB . 17104 1
244 . 1 1 22 22 ILE CD1 C 13 10.924 0.18 . 1 . . . . 22 I CD1 . 17104 1
245 . 1 1 22 22 ILE CG1 C 13 27.605 0.18 . 1 . . . . 22 I CG1 . 17104 1
246 . 1 1 22 22 ILE CG2 C 13 17.680 0.18 . 1 . . . . 22 I CG2 . 17104 1
247 . 1 1 22 22 ILE N N 15 119.333 0.12 . 1 . . . . 22 I N . 17104 1
248 . 1 1 23 23 GLY H H 1 8.882 0.014 . 1 . . . . 23 G H . 17104 1
249 . 1 1 23 23 GLY HA2 H 1 4.477 0.014 . 2 . . . . 23 G HA2 . 17104 1
250 . 1 1 23 23 GLY HA3 H 1 3.478 0.014 . 2 . . . . 23 G HA3 . 17104 1
251 . 1 1 23 23 GLY CA C 13 45.267 0.18 . 1 . . . . 23 G CA . 17104 1
252 . 1 1 23 23 GLY N N 15 116.724 0.12 . 1 . . . . 23 G N . 17104 1
253 . 1 1 24 24 ASP H H 1 7.983 0.014 . 1 . . . . 24 D H . 17104 1
254 . 1 1 24 24 ASP HA H 1 4.808 0.014 . 1 . . . . 24 D HA . 17104 1
255 . 1 1 24 24 ASP HB2 H 1 3.113 0.014 . 2 . . . . 24 D HB2 . 17104 1
256 . 1 1 24 24 ASP HB3 H 1 3.054 0.014 . 2 . . . . 24 D HB3 . 17104 1
257 . 1 1 24 24 ASP CA C 13 54.572 0.18 . 1 . . . . 24 D CA . 17104 1
258 . 1 1 24 24 ASP CB C 13 42.137 0.18 . 1 . . . . 24 D CB . 17104 1
259 . 1 1 24 24 ASP N N 15 120.559 0.12 . 1 . . . . 24 D N . 17104 1
260 . 1 1 25 25 THR H H 1 8.322 0.014 . 1 . . . . 25 T H . 17104 1
261 . 1 1 25 25 THR HA H 1 4.921 0.014 . 1 . . . . 25 T HA . 17104 1
262 . 1 1 25 25 THR HB H 1 4.036 0.014 . 1 . . . . 25 T HB . 17104 1
263 . 1 1 25 25 THR HG21 H 1 1.110 0.014 . 1 . . . . 25 T QG2 . 17104 1
264 . 1 1 25 25 THR HG22 H 1 1.110 0.014 . 1 . . . . 25 T QG2 . 17104 1
265 . 1 1 25 25 THR HG23 H 1 1.110 0.014 . 1 . . . . 25 T QG2 . 17104 1
266 . 1 1 25 25 THR CA C 13 60.619 0.18 . 1 . . . . 25 T CA . 17104 1
267 . 1 1 25 25 THR CB C 13 70.374 0.18 . 1 . . . . 25 T CB . 17104 1
268 . 1 1 25 25 THR CG2 C 13 22.004 0.18 . 1 . . . . 25 T CG2 . 17104 1
269 . 1 1 25 25 THR N N 15 111.446 0.12 . 1 . . . . 25 T N . 17104 1
270 . 1 1 26 26 VAL H H 1 8.220 0.014 . 1 . . . . 26 V H . 17104 1
271 . 1 1 26 26 VAL HA H 1 4.411 0.014 . 1 . . . . 26 V HA . 17104 1
272 . 1 1 26 26 VAL HB H 1 1.916 0.014 . 1 . . . . 26 V HB . 17104 1
273 . 1 1 26 26 VAL HG11 H 1 0.847 0.014 . 1 . . . . 26 V QG1 . 17104 1
274 . 1 1 26 26 VAL HG12 H 1 0.847 0.014 . 1 . . . . 26 V QG1 . 17104 1
275 . 1 1 26 26 VAL HG13 H 1 0.847 0.014 . 1 . . . . 26 V QG1 . 17104 1
276 . 1 1 26 26 VAL HG21 H 1 0.528 0.014 . 1 . . . . 26 V QG2 . 17104 1
277 . 1 1 26 26 VAL HG22 H 1 0.528 0.014 . 1 . . . . 26 V QG2 . 17104 1
278 . 1 1 26 26 VAL HG23 H 1 0.528 0.014 . 1 . . . . 26 V QG2 . 17104 1
279 . 1 1 26 26 VAL CA C 13 59.601 0.18 . 1 . . . . 26 V CA . 17104 1
280 . 1 1 26 26 VAL CB C 13 30.807 0.18 . 1 . . . . 26 V CB . 17104 1
281 . 1 1 26 26 VAL CG1 C 13 18.606 0.18 . 2 . . . . 26 V CG1 . 17104 1
282 . 1 1 26 26 VAL CG2 C 13 22.580 0.18 . 2 . . . . 26 V CG2 . 17104 1
283 . 1 1 26 26 VAL N N 15 117.330 0.12 . 1 . . . . 26 V N . 17104 1
284 . 1 1 27 27 PRO HA H 1 4.440 0.014 . 1 . . . . 27 P HA . 17104 1
285 . 1 1 27 27 PRO HB2 H 1 2.574 0.014 . 2 . . . . 27 P HB2 . 17104 1
286 . 1 1 27 27 PRO HB3 H 1 1.919 0.014 . 2 . . . . 27 P HB3 . 17104 1
287 . 1 1 27 27 PRO HD2 H 1 3.984 0.014 . 2 . . . . 27 P HD2 . 17104 1
288 . 1 1 27 27 PRO HD3 H 1 3.495 0.014 . 2 . . . . 27 P HD3 . 17104 1
289 . 1 1 27 27 PRO HG2 H 1 2.292 0.014 . 2 . . . . 27 P HG2 . 17104 1
290 . 1 1 27 27 PRO HG3 H 1 2.407 0.014 . 2 . . . . 27 P HG3 . 17104 1
291 . 1 1 27 27 PRO CA C 13 63.142 0.18 . 1 . . . . 27 P CA . 17104 1
292 . 1 1 27 27 PRO CB C 13 32.842 0.18 . 1 . . . . 27 P CB . 17104 1
293 . 1 1 27 27 PRO CD C 13 50.887 0.18 . 1 . . . . 27 P CD . 17104 1
294 . 1 1 27 27 PRO CG C 13 28.126 0.18 . 1 . . . . 27 P CG . 17104 1
295 . 1 1 28 28 ALA H H 1 8.320 0.014 . 1 . . . . 28 A H . 17104 1
296 . 1 1 28 28 ALA HA H 1 3.895 0.014 . 1 . . . . 28 A HA . 17104 1
297 . 1 1 28 28 ALA HB1 H 1 1.376 0.014 . 1 . . . . 28 A QB . 17104 1
298 . 1 1 28 28 ALA HB2 H 1 1.376 0.014 . 1 . . . . 28 A QB . 17104 1
299 . 1 1 28 28 ALA HB3 H 1 1.376 0.014 . 1 . . . . 28 A QB . 17104 1
300 . 1 1 28 28 ALA CA C 13 55.273 0.18 . 1 . . . . 28 A CA . 17104 1
301 . 1 1 28 28 ALA CB C 13 18.469 0.18 . 1 . . . . 28 A CB . 17104 1
302 . 1 1 28 28 ALA N N 15 123.388 0.12 . 1 . . . . 28 A N . 17104 1
303 . 1 1 29 29 MET H H 1 8.497 0.014 . 1 . . . . 29 M H . 17104 1
304 . 1 1 29 29 MET HA H 1 4.004 0.014 . 1 . . . . 29 M HA . 17104 1
305 . 1 1 29 29 MET HB2 H 1 1.842 0.014 . 2 . . . . 29 M HB2 . 17104 1
306 . 1 1 29 29 MET HB3 H 1 1.559 0.014 . 2 . . . . 29 M HB3 . 17104 1
307 . 1 1 29 29 MET HG2 H 1 1.766 0.014 . 2 . . . . 29 M HG2 . 17104 1
308 . 1 1 29 29 MET HG3 H 1 1.349 0.014 . 2 . . . . 29 M HG3 . 17104 1
309 . 1 1 29 29 MET CA C 13 58.569 0.18 . 1 . . . . 29 M CA . 17104 1
310 . 1 1 29 29 MET CB C 13 32.108 0.18 . 1 . . . . 29 M CB . 17104 1
311 . 1 1 29 29 MET CE C 13 16.974 0.18 . 1 . . . . 29 M CE . 17104 1
312 . 1 1 29 29 MET CG C 13 30.622 0.18 . 1 . . . . 29 M CG . 17104 1
313 . 1 1 29 29 MET N N 15 116.349 0.12 . 1 . . . . 29 M N . 17104 1
314 . 1 1 30 30 TYR H H 1 7.621 0.014 . 1 . . . . 30 Y H . 17104 1
315 . 1 1 30 30 TYR HA H 1 3.879 0.014 . 1 . . . . 30 Y HA . 17104 1
316 . 1 1 30 30 TYR HB2 H 1 3.082 0.014 . 2 . . . . 30 Y HB2 . 17104 1
317 . 1 1 30 30 TYR HB3 H 1 2.413 0.014 . 2 . . . . 30 Y HB3 . 17104 1
318 . 1 1 30 30 TYR HD1 H 1 6.645 0.014 . 3 . . . . 30 Y QD . 17104 1
319 . 1 1 30 30 TYR HD2 H 1 6.645 0.014 . 3 . . . . 30 Y QD . 17104 1
320 . 1 1 30 30 TYR HE1 H 1 6.642 0.014 . 3 . . . . 30 Y QE . 17104 1
321 . 1 1 30 30 TYR HE2 H 1 6.642 0.014 . 3 . . . . 30 Y QE . 17104 1
322 . 1 1 30 30 TYR CA C 13 60.303 0.18 . 1 . . . . 30 Y CA . 17104 1
323 . 1 1 30 30 TYR CB C 13 37.331 0.18 . 1 . . . . 30 Y CB . 17104 1
324 . 1 1 30 30 TYR CD1 C 13 132.783 0.18 . 3 . . . . 30 Y CD1 . 17104 1
325 . 1 1 30 30 TYR CD2 C 13 132.783 0.18 . 3 . . . . 30 Y CD2 . 17104 1
326 . 1 1 30 30 TYR CE1 C 13 117.820 0.18 . 3 . . . . 30 Y CE1 . 17104 1
327 . 1 1 30 30 TYR CE2 C 13 117.820 0.18 . 3 . . . . 30 Y CE2 . 17104 1
328 . 1 1 30 30 TYR N N 15 115.469 0.12 . 1 . . . . 30 Y N . 17104 1
329 . 1 1 31 31 LEU H H 1 7.650 0.014 . 1 . . . . 31 L H . 17104 1
330 . 1 1 31 31 LEU HA H 1 4.305 0.014 . 1 . . . . 31 L HA . 17104 1
331 . 1 1 31 31 LEU HB2 H 1 1.719 0.014 . 2 . . . . 31 L QB . 17104 1
332 . 1 1 31 31 LEU HB3 H 1 1.719 0.014 . 2 . . . . 31 L QB . 17104 1
333 . 1 1 31 31 LEU HD11 H 1 0.752 0.014 . 1 . . . . 31 L QD1 . 17104 1
334 . 1 1 31 31 LEU HD12 H 1 0.752 0.014 . 1 . . . . 31 L QD1 . 17104 1
335 . 1 1 31 31 LEU HD13 H 1 0.752 0.014 . 1 . . . . 31 L QD1 . 17104 1
336 . 1 1 31 31 LEU HD21 H 1 0.657 0.014 . 1 . . . . 31 L QD2 . 17104 1
337 . 1 1 31 31 LEU HD22 H 1 0.657 0.014 . 1 . . . . 31 L QD2 . 17104 1
338 . 1 1 31 31 LEU HD23 H 1 0.657 0.014 . 1 . . . . 31 L QD2 . 17104 1
339 . 1 1 31 31 LEU HG H 1 1.513 0.014 . 1 . . . . 31 L HG . 17104 1
340 . 1 1 31 31 LEU CA C 13 55.271 0.18 . 1 . . . . 31 L CA . 17104 1
341 . 1 1 31 31 LEU CB C 13 42.400 0.18 . 1 . . . . 31 L CB . 17104 1
342 . 1 1 31 31 LEU CD1 C 13 25.283 0.18 . 2 . . . . 31 L CD1 . 17104 1
343 . 1 1 31 31 LEU CD2 C 13 23.805 0.18 . 2 . . . . 31 L CD2 . 17104 1
344 . 1 1 31 31 LEU CG C 13 27.592 0.18 . 1 . . . . 31 L CG . 17104 1
345 . 1 1 31 31 LEU N N 15 118.483 0.12 . 1 . . . . 31 L N . 17104 1
346 . 1 1 32 32 THR H H 1 7.309 0.014 . 1 . . . . 32 T H . 17104 1
347 . 1 1 32 32 THR HA H 1 4.607 0.014 . 1 . . . . 32 T HA . 17104 1
348 . 1 1 32 32 THR HG21 H 1 1.342 0.014 . 1 . . . . 32 T QG2 . 17104 1
349 . 1 1 32 32 THR HG22 H 1 1.342 0.014 . 1 . . . . 32 T QG2 . 17104 1
350 . 1 1 32 32 THR HG23 H 1 1.342 0.014 . 1 . . . . 32 T QG2 . 17104 1
351 . 1 1 32 32 THR CA C 13 60.533 0.18 . 1 . . . . 32 T CA . 17104 1
352 . 1 1 32 32 THR CG2 C 13 22.131 0.18 . 1 . . . . 32 T CG2 . 17104 1
353 . 1 1 32 32 THR N N 15 110.119 0.12 . 1 . . . . 32 T N . 17104 1
354 . 1 1 33 33 PRO HA H 1 4.309 0.014 . 1 . . . . 33 P HA . 17104 1
355 . 1 1 33 33 PRO HB2 H 1 2.351 0.014 . 2 . . . . 33 P HB2 . 17104 1
356 . 1 1 33 33 PRO HB3 H 1 1.879 0.014 . 2 . . . . 33 P HB3 . 17104 1
357 . 1 1 33 33 PRO HD2 H 1 3.858 0.014 . 2 . . . . 33 P QD . 17104 1
358 . 1 1 33 33 PRO HD3 H 1 3.858 0.014 . 2 . . . . 33 P QD . 17104 1
359 . 1 1 33 33 PRO HG2 H 1 1.973 0.014 . 2 . . . . 33 P HG2 . 17104 1
360 . 1 1 33 33 PRO HG3 H 1 2.107 0.014 . 2 . . . . 33 P HG3 . 17104 1
361 . 1 1 33 33 PRO CA C 13 65.450 0.18 . 1 . . . . 33 P CA . 17104 1
362 . 1 1 33 33 PRO CB C 13 31.954 0.18 . 1 . . . . 33 P CB . 17104 1
363 . 1 1 33 33 PRO CD C 13 51.167 0.18 . 1 . . . . 33 P CD . 17104 1
364 . 1 1 33 33 PRO CG C 13 27.868 0.18 . 1 . . . . 33 P CG . 17104 1
365 . 1 1 34 34 GLU H H 1 8.578 0.014 . 1 . . . . 34 E H . 17104 1
366 . 1 1 34 34 GLU HA H 1 3.890 0.014 . 1 . . . . 34 E HA . 17104 1
367 . 1 1 34 34 GLU HB2 H 1 1.602 0.014 . 2 . . . . 34 E HB2 . 17104 1
368 . 1 1 34 34 GLU HB3 H 1 1.822 0.014 . 2 . . . . 34 E HB3 . 17104 1
369 . 1 1 34 34 GLU HG2 H 1 1.893 0.014 . 2 . . . . 34 E HG2 . 17104 1
370 . 1 1 34 34 GLU HG3 H 1 1.997 0.014 . 2 . . . . 34 E HG3 . 17104 1
371 . 1 1 34 34 GLU CA C 13 59.254 0.18 . 1 . . . . 34 E CA . 17104 1
372 . 1 1 34 34 GLU CB C 13 29.073 0.18 . 1 . . . . 34 E CB . 17104 1
373 . 1 1 34 34 GLU CG C 13 36.530 0.18 . 1 . . . . 34 E CG . 17104 1
374 . 1 1 34 34 GLU N N 15 117.100 0.12 . 1 . . . . 34 E N . 17104 1
375 . 1 1 35 35 TYR H H 1 7.338 0.014 . 1 . . . . 35 Y H . 17104 1
376 . 1 1 35 35 TYR HA H 1 4.502 0.014 . 1 . . . . 35 Y HA . 17104 1
377 . 1 1 35 35 TYR HB2 H 1 2.741 0.014 . 2 . . . . 35 Y HB2 . 17104 1
378 . 1 1 35 35 TYR HB3 H 1 3.639 0.014 . 2 . . . . 35 Y HB3 . 17104 1
379 . 1 1 35 35 TYR HD1 H 1 7.338 0.014 . 3 . . . . 35 Y HD1 . 17104 1
380 . 1 1 35 35 TYR HE1 H 1 6.732 0.014 . 3 . . . . 35 Y QE . 17104 1
381 . 1 1 35 35 TYR HE2 H 1 6.732 0.014 . 3 . . . . 35 Y QE . 17104 1
382 . 1 1 35 35 TYR CA C 13 59.178 0.18 . 1 . . . . 35 Y CA . 17104 1
383 . 1 1 35 35 TYR CB C 13 39.564 0.18 . 1 . . . . 35 Y CB . 17104 1
384 . 1 1 35 35 TYR CD1 C 13 133.848 0.18 . 3 . . . . 35 Y CD1 . 17104 1
385 . 1 1 35 35 TYR CD2 C 13 133.848 0.18 . 3 . . . . 35 Y CD2 . 17104 1
386 . 1 1 35 35 TYR CE1 C 13 118.150 0.18 . 3 . . . . 35 Y CE1 . 17104 1
387 . 1 1 35 35 TYR CE2 C 13 118.150 0.18 . 3 . . . . 35 Y CE2 . 17104 1
388 . 1 1 35 35 TYR N N 15 115.872 0.12 . 1 . . . . 35 Y N . 17104 1
389 . 1 1 36 36 ASN H H 1 7.424 0.014 . 1 . . . . 36 N H . 17104 1
390 . 1 1 36 36 ASN HA H 1 4.820 0.014 . 1 . . . . 36 N HA . 17104 1
391 . 1 1 36 36 ASN HB2 H 1 3.022 0.014 . 2 . . . . 36 N HB2 . 17104 1
392 . 1 1 36 36 ASN HB3 H 1 2.525 0.014 . 2 . . . . 36 N HB3 . 17104 1
393 . 1 1 36 36 ASN HD21 H 1 6.262 0.014 . 2 . . . . 36 N HD21 . 17104 1
394 . 1 1 36 36 ASN HD22 H 1 7.143 0.014 . 2 . . . . 36 N HD22 . 17104 1
395 . 1 1 36 36 ASN CA C 13 53.568 0.18 . 1 . . . . 36 N CA . 17104 1
396 . 1 1 36 36 ASN CB C 13 38.945 0.18 . 1 . . . . 36 N CB . 17104 1
397 . 1 1 36 36 ASN N N 15 119.123 0.12 . 1 . . . . 36 N N . 17104 1
398 . 1 1 36 36 ASN ND2 N 15 108.140 0.12 . 1 . . . . 36 N ND2 . 17104 1
399 . 1 1 37 37 ILE H H 1 8.790 0.014 . 1 . . . . 37 I H . 17104 1
400 . 1 1 37 37 ILE HA H 1 4.191 0.014 . 1 . . . . 37 I HA . 17104 1
401 . 1 1 37 37 ILE HB H 1 1.997 0.014 . 1 . . . . 37 I HB . 17104 1
402 . 1 1 37 37 ILE HD11 H 1 0.800 0.014 . 1 . . . . 37 I QD1 . 17104 1
403 . 1 1 37 37 ILE HD12 H 1 0.800 0.014 . 1 . . . . 37 I QD1 . 17104 1
404 . 1 1 37 37 ILE HD13 H 1 0.800 0.014 . 1 . . . . 37 I QD1 . 17104 1
405 . 1 1 37 37 ILE HG12 H 1 1.357 0.014 . 2 . . . . 37 I HG12 . 17104 1
406 . 1 1 37 37 ILE HG13 H 1 1.512 0.014 . 2 . . . . 37 I HG13 . 17104 1
407 . 1 1 37 37 ILE HG21 H 1 0.550 0.014 . 1 . . . . 37 I QG2 . 17104 1
408 . 1 1 37 37 ILE HG22 H 1 0.550 0.014 . 1 . . . . 37 I QG2 . 17104 1
409 . 1 1 37 37 ILE HG23 H 1 0.550 0.014 . 1 . . . . 37 I QG2 . 17104 1
410 . 1 1 37 37 ILE CA C 13 59.124 0.18 . 1 . . . . 37 I CA . 17104 1
411 . 1 1 37 37 ILE CB C 13 36.115 0.18 . 1 . . . . 37 I CB . 17104 1
412 . 1 1 37 37 ILE CD1 C 13 11.780 0.18 . 1 . . . . 37 I CD1 . 17104 1
413 . 1 1 37 37 ILE CG1 C 13 26.549 0.18 . 1 . . . . 37 I CG1 . 17104 1
414 . 1 1 37 37 ILE CG2 C 13 16.360 0.18 . 1 . . . . 37 I CG2 . 17104 1
415 . 1 1 37 37 ILE N N 15 127.973 0.12 . 1 . . . . 37 I N . 17104 1
416 . 1 1 38 38 LYS H H 1 8.030 0.014 . 1 . . . . 38 K H . 17104 1
417 . 1 1 38 38 LYS HA H 1 4.343 0.014 . 1 . . . . 38 K HA . 17104 1
418 . 1 1 38 38 LYS HB2 H 1 1.809 0.014 . 2 . . . . 38 K QB . 17104 1
419 . 1 1 38 38 LYS HB3 H 1 1.809 0.014 . 2 . . . . 38 K QB . 17104 1
420 . 1 1 38 38 LYS HD2 H 1 1.664 0.014 . 2 . . . . 38 K QD . 17104 1
421 . 1 1 38 38 LYS HD3 H 1 1.664 0.014 . 2 . . . . 38 K QD . 17104 1
422 . 1 1 38 38 LYS HE2 H 1 2.940 0.014 . 2 . . . . 38 K QE . 17104 1
423 . 1 1 38 38 LYS HE3 H 1 2.940 0.014 . 2 . . . . 38 K QE . 17104 1
424 . 1 1 38 38 LYS HG2 H 1 1.477 0.014 . 2 . . . . 38 K HG2 . 17104 1
425 . 1 1 38 38 LYS HG3 H 1 1.381 0.014 . 2 . . . . 38 K HG3 . 17104 1
426 . 1 1 38 38 LYS CA C 13 58.677 0.18 . 1 . . . . 38 K CA . 17104 1
427 . 1 1 38 38 LYS CB C 13 32.894 0.18 . 1 . . . . 38 K CB . 17104 1
428 . 1 1 38 38 LYS CD C 13 29.193 0.18 . 1 . . . . 38 K CD . 17104 1
429 . 1 1 38 38 LYS CE C 13 42.177 0.18 . 1 . . . . 38 K CE . 17104 1
430 . 1 1 38 38 LYS CG C 13 25.545 0.18 . 1 . . . . 38 K CG . 17104 1
431 . 1 1 38 38 LYS N N 15 128.204 0.12 . 1 . . . . 38 K N . 17104 1
432 . 1 1 39 39 GLN H H 1 8.388 0.014 . 1 . . . . 39 Q H . 17104 1
433 . 1 1 39 39 GLN HA H 1 4.431 0.014 . 1 . . . . 39 Q HA . 17104 1
434 . 1 1 39 39 GLN HB2 H 1 1.935 0.014 . 2 . . . . 39 Q HB2 . 17104 1
435 . 1 1 39 39 GLN HB3 H 1 1.761 0.014 . 2 . . . . 39 Q HB3 . 17104 1
436 . 1 1 39 39 GLN HE21 H 1 7.366 0.014 . 2 . . . . 39 Q HE21 . 17104 1
437 . 1 1 39 39 GLN HE22 H 1 6.750 0.014 . 2 . . . . 39 Q HE22 . 17104 1
438 . 1 1 39 39 GLN HG2 H 1 2.182 0.014 . 2 . . . . 39 Q QG . 17104 1
439 . 1 1 39 39 GLN HG3 H 1 2.182 0.014 . 2 . . . . 39 Q QG . 17104 1
440 . 1 1 39 39 GLN CA C 13 54.109 0.18 . 1 . . . . 39 Q CA . 17104 1
441 . 1 1 39 39 GLN CB C 13 25.931 0.18 . 1 . . . . 39 Q CB . 17104 1
442 . 1 1 39 39 GLN CG C 13 33.654 0.18 . 1 . . . . 39 Q CG . 17104 1
443 . 1 1 39 39 GLN N N 15 119.818 0.12 . 1 . . . . 39 Q N . 17104 1
444 . 1 1 39 39 GLN NE2 N 15 111.879 0.12 . 1 . . . . 39 Q NE2 . 17104 1
445 . 1 1 40 40 TRP H H 1 6.942 0.014 . 1 . . . . 40 W H . 17104 1
446 . 1 1 40 40 TRP HA H 1 3.601 0.014 . 1 . . . . 40 W HA . 17104 1
447 . 1 1 40 40 TRP HB2 H 1 2.901 0.014 . 2 . . . . 40 W HB2 . 17104 1
448 . 1 1 40 40 TRP HB3 H 1 2.967 0.014 . 2 . . . . 40 W HB3 . 17104 1
449 . 1 1 40 40 TRP HD1 H 1 7.596 0.014 . 1 . . . . 40 W HD1 . 17104 1
450 . 1 1 40 40 TRP HE1 H 1 10.404 0.014 . 1 . . . . 40 W HE1 . 17104 1
451 . 1 1 40 40 TRP HE3 H 1 7.041 0.014 . 1 . . . . 40 W HE3 . 17104 1
452 . 1 1 40 40 TRP HH2 H 1 7.234 0.014 . 1 . . . . 40 W HH2 . 17104 1
453 . 1 1 40 40 TRP HZ2 H 1 7.511 0.014 . 1 . . . . 40 W HZ2 . 17104 1
454 . 1 1 40 40 TRP CA C 13 58.035 0.18 . 1 . . . . 40 W CA . 17104 1
455 . 1 1 40 40 TRP CB C 13 28.557 0.18 . 1 . . . . 40 W CB . 17104 1
456 . 1 1 40 40 TRP CD1 C 13 128.701 0.18 . 1 . . . . 40 W CD1 . 17104 1
457 . 1 1 40 40 TRP CE3 C 13 122.511 0.18 . 1 . . . . 40 W CE3 . 17104 1
458 . 1 1 40 40 TRP CH2 C 13 125.170 0.18 . 1 . . . . 40 W CH2 . 17104 1
459 . 1 1 40 40 TRP CZ2 C 13 114.481 0.18 . 1 . . . . 40 W CZ2 . 17104 1
460 . 1 1 40 40 TRP N N 15 119.874 0.12 . 1 . . . . 40 W N . 17104 1
461 . 1 1 40 40 TRP NE1 N 15 130.496 0.12 . 1 . . . . 40 W NE1 . 17104 1
462 . 1 1 41 41 GLN H H 1 7.864 0.014 . 1 . . . . 41 Q H . 17104 1
463 . 1 1 41 41 GLN HA H 1 3.569 0.014 . 1 . . . . 41 Q HA . 17104 1
464 . 1 1 41 41 GLN HB2 H 1 0.915 0.014 . 2 . . . . 41 Q HB2 . 17104 1
465 . 1 1 41 41 GLN HB3 H 1 1.312 0.014 . 2 . . . . 41 Q HB3 . 17104 1
466 . 1 1 41 41 GLN HE21 H 1 7.128 0.014 . 2 . . . . 41 Q HE21 . 17104 1
467 . 1 1 41 41 GLN HE22 H 1 6.563 0.014 . 2 . . . . 41 Q HE22 . 17104 1
468 . 1 1 41 41 GLN HG2 H 1 1.320 0.014 . 2 . . . . 41 Q HG2 . 17104 1
469 . 1 1 41 41 GLN HG3 H 1 1.840 0.014 . 2 . . . . 41 Q HG3 . 17104 1
470 . 1 1 41 41 GLN CA C 13 59.392 0.18 . 1 . . . . 41 Q CA . 17104 1
471 . 1 1 41 41 GLN CB C 13 26.993 0.18 . 1 . . . . 41 Q CB . 17104 1
472 . 1 1 41 41 GLN CG C 13 33.105 0.18 . 1 . . . . 41 Q CG . 17104 1
473 . 1 1 41 41 GLN N N 15 125.146 0.12 . 1 . . . . 41 Q N . 17104 1
474 . 1 1 41 41 GLN NE2 N 15 111.166 0.12 . 1 . . . . 41 Q NE2 . 17104 1
475 . 1 1 42 42 GLN H H 1 7.534 0.014 . 1 . . . . 42 Q H . 17104 1
476 . 1 1 42 42 GLN HA H 1 3.918 0.014 . 1 . . . . 42 Q HA . 17104 1
477 . 1 1 42 42 GLN HB2 H 1 1.970 0.014 . 2 . . . . 42 Q HB2 . 17104 1
478 . 1 1 42 42 GLN HB3 H 1 1.827 0.014 . 2 . . . . 42 Q HB3 . 17104 1
479 . 1 1 42 42 GLN HE21 H 1 6.647 0.014 . 2 . . . . 42 Q HE21 . 17104 1
480 . 1 1 42 42 GLN HE22 H 1 7.302 0.014 . 2 . . . . 42 Q HE22 . 17104 1
481 . 1 1 42 42 GLN HG2 H 1 2.206 0.014 . 2 . . . . 42 Q HG2 . 17104 1
482 . 1 1 42 42 GLN HG3 H 1 2.281 0.014 . 2 . . . . 42 Q HG3 . 17104 1
483 . 1 1 42 42 GLN CA C 13 57.328 0.18 . 1 . . . . 42 Q CA . 17104 1
484 . 1 1 42 42 GLN CB C 13 28.207 0.18 . 1 . . . . 42 Q CB . 17104 1
485 . 1 1 42 42 GLN CG C 13 34.282 0.18 . 1 . . . . 42 Q CG . 17104 1
486 . 1 1 42 42 GLN N N 15 118.060 0.12 . 1 . . . . 42 Q N . 17104 1
487 . 1 1 42 42 GLN NE2 N 15 111.191 0.12 . 1 . . . . 42 Q NE2 . 17104 1
488 . 1 1 43 43 ARG H H 1 6.793 0.014 . 1 . . . . 43 R H . 17104 1
489 . 1 1 43 43 ARG HA H 1 3.942 0.014 . 1 . . . . 43 R HA . 17104 1
490 . 1 1 43 43 ARG HB2 H 1 1.252 0.014 . 2 . . . . 43 R HB2 . 17104 1
491 . 1 1 43 43 ARG HB3 H 1 0.925 0.014 . 2 . . . . 43 R HB3 . 17104 1
492 . 1 1 43 43 ARG HD2 H 1 2.334 0.014 . 2 . . . . 43 R HD2 . 17104 1
493 . 1 1 43 43 ARG HD3 H 1 2.202 0.014 . 2 . . . . 43 R HD3 . 17104 1
494 . 1 1 43 43 ARG HG2 H 1 0.880 0.014 . 2 . . . . 43 R HG2 . 17104 1
495 . 1 1 43 43 ARG HG3 H 1 0.987 0.014 . 2 . . . . 43 R HG3 . 17104 1
496 . 1 1 43 43 ARG CA C 13 54.274 0.18 . 1 . . . . 43 R CA . 17104 1
497 . 1 1 43 43 ARG CB C 13 29.118 0.18 . 1 . . . . 43 R CB . 17104 1
498 . 1 1 43 43 ARG CD C 13 42.368 0.18 . 1 . . . . 43 R CD . 17104 1
499 . 1 1 43 43 ARG CG C 13 27.084 0.18 . 1 . . . . 43 R CG . 17104 1
500 . 1 1 43 43 ARG N N 15 116.035 0.12 . 1 . . . . 43 R N . 17104 1
501 . 1 1 44 44 ASN H H 1 7.220 0.014 . 1 . . . . 44 N H . 17104 1
502 . 1 1 44 44 ASN HA H 1 4.030 0.014 . 1 . . . . 44 N HA . 17104 1
503 . 1 1 44 44 ASN HB2 H 1 2.790 0.014 . 2 . . . . 44 N QB . 17104 1
504 . 1 1 44 44 ASN HB3 H 1 2.790 0.014 . 2 . . . . 44 N QB . 17104 1
505 . 1 1 44 44 ASN HD21 H 1 6.614 0.014 . 2 . . . . 44 N HD21 . 17104 1
506 . 1 1 44 44 ASN HD22 H 1 7.306 0.014 . 2 . . . . 44 N HD22 . 17104 1
507 . 1 1 44 44 ASN CA C 13 54.357 0.18 . 1 . . . . 44 N CA . 17104 1
508 . 1 1 44 44 ASN CB C 13 37.239 0.18 . 1 . . . . 44 N CB . 17104 1
509 . 1 1 44 44 ASN N N 15 107.226 0.12 . 1 . . . . 44 N N . 17104 1
510 . 1 1 44 44 ASN ND2 N 15 114.245 0.12 . 1 . . . . 44 N ND2 . 17104 1
511 . 1 1 45 45 LEU H H 1 6.533 0.014 . 1 . . . . 45 L H . 17104 1
512 . 1 1 45 45 LEU HA H 1 3.654 0.014 . 1 . . . . 45 L HA . 17104 1
513 . 1 1 45 45 LEU HB2 H 1 0.970 0.014 . 2 . . . . 45 L HB2 . 17104 1
514 . 1 1 45 45 LEU HB3 H 1 0.071 0.014 . 2 . . . . 45 L HB3 . 17104 1
515 . 1 1 45 45 LEU HD11 H 1 -0.563 0.014 . 1 . . . . 45 L QD1 . 17104 1
516 . 1 1 45 45 LEU HD12 H 1 -0.563 0.014 . 1 . . . . 45 L QD1 . 17104 1
517 . 1 1 45 45 LEU HD13 H 1 -0.563 0.014 . 1 . . . . 45 L QD1 . 17104 1
518 . 1 1 45 45 LEU HD21 H 1 -0.533 0.014 . 1 . . . . 45 L QD2 . 17104 1
519 . 1 1 45 45 LEU HD22 H 1 -0.533 0.014 . 1 . . . . 45 L QD2 . 17104 1
520 . 1 1 45 45 LEU HD23 H 1 -0.533 0.014 . 1 . . . . 45 L QD2 . 17104 1
521 . 1 1 45 45 LEU HG H 1 0.548 0.014 . 1 . . . . 45 L HG . 17104 1
522 . 1 1 45 45 LEU CA C 13 52.161 0.18 . 1 . . . . 45 L CA . 17104 1
523 . 1 1 45 45 LEU CB C 13 40.758 0.18 . 1 . . . . 45 L CB . 17104 1
524 . 1 1 45 45 LEU CD1 C 13 21.247 0.18 . 2 . . . . 45 L CD1 . 17104 1
525 . 1 1 45 45 LEU CD2 C 13 22.630 0.18 . 2 . . . . 45 L CD2 . 17104 1
526 . 1 1 45 45 LEU CG C 13 25.344 0.18 . 1 . . . . 45 L CG . 17104 1
527 . 1 1 45 45 LEU N N 15 116.783 0.12 . 1 . . . . 45 L N . 17104 1
528 . 1 1 46 46 PRO HA H 1 4.453 0.014 . 1 . . . . 46 P HA . 17104 1
529 . 1 1 46 46 PRO HB2 H 1 1.872 0.014 . 2 . . . . 46 P HB2 . 17104 1
530 . 1 1 46 46 PRO HB3 H 1 2.178 0.014 . 2 . . . . 46 P HB3 . 17104 1
531 . 1 1 46 46 PRO HD2 H 1 3.063 0.014 . 2 . . . . 46 P HD2 . 17104 1
532 . 1 1 46 46 PRO HD3 H 1 2.946 0.014 . 2 . . . . 46 P HD3 . 17104 1
533 . 1 1 46 46 PRO HG3 H 1 2.048 0.014 . 2 . . . . 46 P HG3 . 17104 1
534 . 1 1 46 46 PRO CA C 13 61.616 0.18 . 1 . . . . 46 P CA . 17104 1
535 . 1 1 46 46 PRO CB C 13 32.070 0.18 . 1 . . . . 46 P CB . 17104 1
536 . 1 1 46 46 PRO CD C 13 49.022 0.18 . 1 . . . . 46 P CD . 17104 1
537 . 1 1 46 46 PRO CG C 13 27.313 0.18 . 1 . . . . 46 P CG . 17104 1
538 . 1 1 47 47 ALA H H 1 7.963 0.014 . 1 . . . . 47 A H . 17104 1
539 . 1 1 47 47 ALA HA H 1 2.213 0.014 . 1 . . . . 47 A HA . 17104 1
540 . 1 1 47 47 ALA HB1 H 1 0.981 0.014 . 1 . . . . 47 A QB . 17104 1
541 . 1 1 47 47 ALA HB2 H 1 0.981 0.014 . 1 . . . . 47 A QB . 17104 1
542 . 1 1 47 47 ALA HB3 H 1 0.981 0.014 . 1 . . . . 47 A QB . 17104 1
543 . 1 1 47 47 ALA CA C 13 49.911 0.18 . 1 . . . . 47 A CA . 17104 1
544 . 1 1 47 47 ALA CB C 13 17.372 0.18 . 1 . . . . 47 A CB . 17104 1
545 . 1 1 47 47 ALA N N 15 121.897 0.12 . 1 . . . . 47 A N . 17104 1
546 . 1 1 48 48 PRO HA H 1 3.665 0.014 . 1 . . . . 48 P HA . 17104 1
547 . 1 1 48 48 PRO HB2 H 1 1.366 0.014 . 2 . . . . 48 P HB2 . 17104 1
548 . 1 1 48 48 PRO HB3 H 1 1.643 0.014 . 2 . . . . 48 P HB3 . 17104 1
549 . 1 1 48 48 PRO HD2 H 1 2.601 0.014 . 2 . . . . 48 P HD2 . 17104 1
550 . 1 1 48 48 PRO HD3 H 1 1.701 0.014 . 2 . . . . 48 P HD3 . 17104 1
551 . 1 1 48 48 PRO HG2 H 1 1.635 0.014 . 2 . . . . 48 P HG2 . 17104 1
552 . 1 1 48 48 PRO HG3 H 1 1.803 0.014 . 2 . . . . 48 P HG3 . 17104 1
553 . 1 1 48 48 PRO CA C 13 61.978 0.18 . 1 . . . . 48 P CA . 17104 1
554 . 1 1 48 48 PRO CB C 13 31.958 0.18 . 1 . . . . 48 P CB . 17104 1
555 . 1 1 48 48 PRO CD C 13 49.417 0.18 . 1 . . . . 48 P CD . 17104 1
556 . 1 1 48 48 PRO CG C 13 26.603 0.18 . 1 . . . . 48 P CG . 17104 1
557 . 1 1 49 49 ASP H H 1 6.081 0.014 . 1 . . . . 49 D H . 17104 1
558 . 1 1 49 49 ASP HA H 1 4.295 0.014 . 1 . . . . 49 D HA . 17104 1
559 . 1 1 49 49 ASP HB2 H 1 2.131 0.014 . 2 . . . . 49 D HB2 . 17104 1
560 . 1 1 49 49 ASP HB3 H 1 2.468 0.014 . 2 . . . . 49 D HB3 . 17104 1
561 . 1 1 49 49 ASP CA C 13 53.869 0.18 . 1 . . . . 49 D CA . 17104 1
562 . 1 1 49 49 ASP CB C 13 40.814 0.18 . 1 . . . . 49 D CB . 17104 1
563 . 1 1 49 49 ASP N N 15 121.015 0.12 . 1 . . . . 49 D N . 17104 1
564 . 1 1 50 50 ALA H H 1 8.705 0.014 . 1 . . . . 50 A H . 17104 1
565 . 1 1 50 50 ALA HA H 1 4.119 0.014 . 1 . . . . 50 A HA . 17104 1
566 . 1 1 50 50 ALA HB1 H 1 1.286 0.014 . 1 . . . . 50 A QB . 17104 1
567 . 1 1 50 50 ALA HB2 H 1 1.286 0.014 . 1 . . . . 50 A QB . 17104 1
568 . 1 1 50 50 ALA HB3 H 1 1.286 0.014 . 1 . . . . 50 A QB . 17104 1
569 . 1 1 50 50 ALA CA C 13 54.004 0.18 . 1 . . . . 50 A CA . 17104 1
570 . 1 1 50 50 ALA CB C 13 17.634 0.18 . 1 . . . . 50 A CB . 17104 1
571 . 1 1 50 50 ALA N N 15 125.925 0.12 . 1 . . . . 50 A N . 17104 1
572 . 1 1 51 51 GLY H H 1 8.964 0.014 . 1 . . . . 51 G H . 17104 1
573 . 1 1 51 51 GLY HA2 H 1 4.008 0.014 . 2 . . . . 51 G HA2 . 17104 1
574 . 1 1 51 51 GLY HA3 H 1 3.700 0.014 . 2 . . . . 51 G HA3 . 17104 1
575 . 1 1 51 51 GLY CA C 13 45.914 0.18 . 1 . . . . 51 G CA . 17104 1
576 . 1 1 51 51 GLY N N 15 110.695 0.12 . 1 . . . . 51 G N . 17104 1
577 . 1 1 52 52 SER H H 1 7.935 0.014 . 1 . . . . 52 S H . 17104 1
578 . 1 1 52 52 SER HA H 1 5.231 0.014 . 1 . . . . 52 S HA . 17104 1
579 . 1 1 52 52 SER HB2 H 1 3.295 0.014 . 2 . . . . 52 S HB2 . 17104 1
580 . 1 1 52 52 SER HB3 H 1 3.111 0.014 . 2 . . . . 52 S HB3 . 17104 1
581 . 1 1 52 52 SER CA C 13 57.734 0.18 . 1 . . . . 52 S CA . 17104 1
582 . 1 1 52 52 SER CB C 13 68.122 0.18 . 1 . . . . 52 S CB . 17104 1
583 . 1 1 52 52 SER N N 15 116.212 0.12 . 1 . . . . 52 S N . 17104 1
584 . 1 1 53 53 HIS H H 1 8.747 0.014 . 1 . . . . 53 H H . 17104 1
585 . 1 1 53 53 HIS HA H 1 4.423 0.014 . 1 . . . . 53 H HA . 17104 1
586 . 1 1 53 53 HIS HB2 H 1 3.387 0.014 . 2 . . . . 53 H HB2 . 17104 1
587 . 1 1 53 53 HIS HB3 H 1 3.261 0.014 . 2 . . . . 53 H HB3 . 17104 1
588 . 1 1 53 53 HIS HD2 H 1 7.164 0.014 . 1 . . . . 53 H HD2 . 17104 1
589 . 1 1 53 53 HIS HE1 H 1 9.251 0.014 . 1 . . . . 53 H HE1 . 17104 1
590 . 1 1 53 53 HIS CA C 13 55.439 0.18 . 1 . . . . 53 H CA . 17104 1
591 . 1 1 53 53 HIS CB C 13 30.566 0.18 . 1 . . . . 53 H CB . 17104 1
592 . 1 1 53 53 HIS CD2 C 13 121.389 0.18 . 1 . . . . 53 H CD2 . 17104 1
593 . 1 1 53 53 HIS N N 15 111.692 0.12 . 1 . . . . 53 H N . 17104 1
594 . 1 1 54 54 TRP H H 1 9.255 0.014 . 1 . . . . 54 W H . 17104 1
595 . 1 1 54 54 TRP HA H 1 4.892 0.014 . 1 . . . . 54 W HA . 17104 1
596 . 1 1 54 54 TRP HB2 H 1 3.232 0.014 . 2 . . . . 54 W HB2 . 17104 1
597 . 1 1 54 54 TRP HB3 H 1 3.074 0.014 . 2 . . . . 54 W HB3 . 17104 1
598 . 1 1 54 54 TRP HD1 H 1 6.829 0.014 . 1 . . . . 54 W HD1 . 17104 1
599 . 1 1 54 54 TRP HE1 H 1 9.432 0.014 . 1 . . . . 54 W HE1 . 17104 1
600 . 1 1 54 54 TRP HE3 H 1 7.419 0.014 . 1 . . . . 54 W HE3 . 17104 1
601 . 1 1 54 54 TRP HH2 H 1 6.944 0.014 . 1 . . . . 54 W HH2 . 17104 1
602 . 1 1 54 54 TRP HZ2 H 1 7.156 0.014 . 1 . . . . 54 W HZ2 . 17104 1
603 . 1 1 54 54 TRP HZ3 H 1 6.948 0.014 . 1 . . . . 54 W HZ3 . 17104 1
604 . 1 1 54 54 TRP CA C 13 57.571 0.18 . 1 . . . . 54 W CA . 17104 1
605 . 1 1 54 54 TRP CB C 13 31.602 0.18 . 1 . . . . 54 W CB . 17104 1
606 . 1 1 54 54 TRP CD1 C 13 127.023 0.18 . 1 . . . . 54 W CD1 . 17104 1
607 . 1 1 54 54 TRP CE3 C 13 120.758 0.18 . 1 . . . . 54 W CE3 . 17104 1
608 . 1 1 54 54 TRP CH2 C 13 123.466 0.18 . 1 . . . . 54 W CH2 . 17104 1
609 . 1 1 54 54 TRP CZ2 C 13 114.572 0.18 . 1 . . . . 54 W CZ2 . 17104 1
610 . 1 1 54 54 TRP CZ3 C 13 123.341 0.18 . 1 . . . . 54 W CZ3 . 17104 1
611 . 1 1 54 54 TRP N N 15 122.013 0.12 . 1 . . . . 54 W N . 17104 1
612 . 1 1 54 54 TRP NE1 N 15 125.965 0.12 . 1 . . . . 54 W NE1 . 17104 1
613 . 1 1 55 55 THR H H 1 9.229 0.014 . 1 . . . . 55 T H . 17104 1
614 . 1 1 55 55 THR HA H 1 5.505 0.014 . 1 . . . . 55 T HA . 17104 1
615 . 1 1 55 55 THR HB H 1 4.053 0.014 . 1 . . . . 55 T HB . 17104 1
616 . 1 1 55 55 THR HG21 H 1 1.153 0.014 . 1 . . . . 55 T QG2 . 17104 1
617 . 1 1 55 55 THR HG22 H 1 1.153 0.014 . 1 . . . . 55 T QG2 . 17104 1
618 . 1 1 55 55 THR HG23 H 1 1.153 0.014 . 1 . . . . 55 T QG2 . 17104 1
619 . 1 1 55 55 THR CA C 13 60.539 0.18 . 1 . . . . 55 T CA . 17104 1
620 . 1 1 55 55 THR CB C 13 72.953 0.18 . 1 . . . . 55 T CB . 17104 1
621 . 1 1 55 55 THR CG2 C 13 21.360 0.18 . 1 . . . . 55 T CG2 . 17104 1
622 . 1 1 55 55 THR N N 15 116.371 0.12 . 1 . . . . 55 T N . 17104 1
623 . 1 1 56 56 TYR H H 1 8.593 0.014 . 1 . . . . 56 Y H . 17104 1
624 . 1 1 56 56 TYR HA H 1 5.524 0.014 . 1 . . . . 56 Y HA . 17104 1
625 . 1 1 56 56 TYR HB2 H 1 3.090 0.014 . 2 . . . . 56 Y HB2 . 17104 1
626 . 1 1 56 56 TYR HB3 H 1 2.699 0.014 . 2 . . . . 56 Y HB3 . 17104 1
627 . 1 1 56 56 TYR HD1 H 1 6.505 0.014 . 3 . . . . 56 Y QD . 17104 1
628 . 1 1 56 56 TYR HD2 H 1 6.505 0.014 . 3 . . . . 56 Y QD . 17104 1
629 . 1 1 56 56 TYR HE1 H 1 6.287 0.014 . 3 . . . . 56 Y QE . 17104 1
630 . 1 1 56 56 TYR HE2 H 1 6.287 0.014 . 3 . . . . 56 Y QE . 17104 1
631 . 1 1 56 56 TYR CA C 13 55.494 0.18 . 1 . . . . 56 Y CA . 17104 1
632 . 1 1 56 56 TYR CB C 13 40.762 0.18 . 1 . . . . 56 Y CB . 17104 1
633 . 1 1 56 56 TYR CD1 C 13 133.671 0.18 . 3 . . . . 56 Y CD1 . 17104 1
634 . 1 1 56 56 TYR CD2 C 13 133.671 0.18 . 3 . . . . 56 Y CD2 . 17104 1
635 . 1 1 56 56 TYR CE1 C 13 117.406 0.18 . 3 . . . . 56 Y CE1 . 17104 1
636 . 1 1 56 56 TYR CE2 C 13 117.406 0.18 . 3 . . . . 56 Y CE2 . 17104 1
637 . 1 1 56 56 TYR N N 15 124.767 0.12 . 1 . . . . 56 Y N . 17104 1
638 . 1 1 57 57 MET H H 1 8.479 0.014 . 1 . . . . 57 M H . 17104 1
639 . 1 1 57 57 MET HA H 1 4.392 0.014 . 1 . . . . 57 M HA . 17104 1
640 . 1 1 57 57 MET HB2 H 1 1.356 0.014 . 2 . . . . 57 M HB2 . 17104 1
641 . 1 1 57 57 MET HB3 H 1 1.272 0.014 . 2 . . . . 57 M HB3 . 17104 1
642 . 1 1 57 57 MET HG2 H 1 1.673 0.014 . 2 . . . . 57 M HG2 . 17104 1
643 . 1 1 57 57 MET HG3 H 1 1.564 0.014 . 2 . . . . 57 M HG3 . 17104 1
644 . 1 1 57 57 MET CA C 13 54.816 0.18 . 1 . . . . 57 M CA . 17104 1
645 . 1 1 57 57 MET CB C 13 36.164 0.18 . 1 . . . . 57 M CB . 17104 1
646 . 1 1 57 57 MET CE C 13 15.199 0.18 . 1 . . . . 57 M CE . 17104 1
647 . 1 1 57 57 MET CG C 13 30.545 0.18 . 1 . . . . 57 M CG . 17104 1
648 . 1 1 57 57 MET N N 15 123.861 0.12 . 1 . . . . 57 M N . 17104 1
649 . 1 1 58 58 GLY H H 1 9.008 0.014 . 1 . . . . 58 G H . 17104 1
650 . 1 1 58 58 GLY HA2 H 1 3.878 0.014 . 2 . . . . 58 G HA2 . 17104 1
651 . 1 1 58 58 GLY HA3 H 1 3.777 0.014 . 2 . . . . 58 G HA3 . 17104 1
652 . 1 1 58 58 GLY CA C 13 47.274 0.18 . 1 . . . . 58 G CA . 17104 1
653 . 1 1 58 58 GLY N N 15 114.037 0.12 . 1 . . . . 58 G N . 17104 1
654 . 1 1 59 59 GLY H H 1 7.313 0.014 . 1 . . . . 59 G H . 17104 1
655 . 1 1 59 59 GLY HA2 H 1 4.010 0.014 . 2 . . . . 59 G HA2 . 17104 1
656 . 1 1 59 59 GLY HA3 H 1 3.230 0.014 . 2 . . . . 59 G HA3 . 17104 1
657 . 1 1 59 59 GLY CA C 13 44.672 0.18 . 1 . . . . 59 G CA . 17104 1
658 . 1 1 59 59 GLY N N 15 103.444 0.12 . 1 . . . . 59 G N . 17104 1
659 . 1 1 60 60 ASN H H 1 7.080 0.014 . 1 . . . . 60 N H . 17104 1
660 . 1 1 60 60 ASN HA H 1 4.802 0.014 . 1 . . . . 60 N HA . 17104 1
661 . 1 1 60 60 ASN HB2 H 1 2.013 0.014 . 2 . . . . 60 N HB2 . 17104 1
662 . 1 1 60 60 ASN HB3 H 1 1.648 0.014 . 2 . . . . 60 N HB3 . 17104 1
663 . 1 1 60 60 ASN HD21 H 1 5.590 0.014 . 2 . . . . 60 N HD21 . 17104 1
664 . 1 1 60 60 ASN HD22 H 1 6.846 0.014 . 2 . . . . 60 N HD22 . 17104 1
665 . 1 1 60 60 ASN CA C 13 51.109 0.18 . 1 . . . . 60 N CA . 17104 1
666 . 1 1 60 60 ASN CB C 13 41.640 0.18 . 1 . . . . 60 N CB . 17104 1
667 . 1 1 60 60 ASN N N 15 116.162 0.12 . 1 . . . . 60 N N . 17104 1
668 . 1 1 60 60 ASN ND2 N 15 112.676 0.12 . 1 . . . . 60 N ND2 . 17104 1
669 . 1 1 61 61 TYR H H 1 8.928 0.014 . 1 . . . . 61 Y H . 17104 1
670 . 1 1 61 61 TYR HA H 1 5.409 0.014 . 1 . . . . 61 Y HA . 17104 1
671 . 1 1 61 61 TYR HB2 H 1 2.968 0.014 . 2 . . . . 61 Y HB2 . 17104 1
672 . 1 1 61 61 TYR HB3 H 1 2.574 0.014 . 2 . . . . 61 Y HB3 . 17104 1
673 . 1 1 61 61 TYR HD1 H 1 6.880 0.014 . 3 . . . . 61 Y QD . 17104 1
674 . 1 1 61 61 TYR HD2 H 1 6.880 0.014 . 3 . . . . 61 Y QD . 17104 1
675 . 1 1 61 61 TYR HE1 H 1 6.627 0.014 . 3 . . . . 61 Y QE . 17104 1
676 . 1 1 61 61 TYR HE2 H 1 6.627 0.014 . 3 . . . . 61 Y QE . 17104 1
677 . 1 1 61 61 TYR CA C 13 58.060 0.18 . 1 . . . . 61 Y CA . 17104 1
678 . 1 1 61 61 TYR CB C 13 40.922 0.18 . 1 . . . . 61 Y CB . 17104 1
679 . 1 1 61 61 TYR CD1 C 13 133.445 0.18 . 3 . . . . 61 Y CD1 . 17104 1
680 . 1 1 61 61 TYR CD2 C 13 133.445 0.18 . 3 . . . . 61 Y CD2 . 17104 1
681 . 1 1 61 61 TYR CE1 C 13 118.506 0.18 . 3 . . . . 61 Y CE1 . 17104 1
682 . 1 1 61 61 TYR CE2 C 13 118.506 0.18 . 3 . . . . 61 Y CE2 . 17104 1
683 . 1 1 61 61 TYR N N 15 119.362 0.12 . 1 . . . . 61 Y N . 17104 1
684 . 1 1 62 62 VAL H H 1 9.043 0.014 . 1 . . . . 62 V H . 17104 1
685 . 1 1 62 62 VAL HA H 1 4.574 0.014 . 1 . . . . 62 V HA . 17104 1
686 . 1 1 62 62 VAL HB H 1 1.640 0.014 . 1 . . . . 62 V HB . 17104 1
687 . 1 1 62 62 VAL HG11 H 1 0.610 0.014 . 1 . . . . 62 V QG1 . 17104 1
688 . 1 1 62 62 VAL HG12 H 1 0.610 0.014 . 1 . . . . 62 V QG1 . 17104 1
689 . 1 1 62 62 VAL HG13 H 1 0.610 0.014 . 1 . . . . 62 V QG1 . 17104 1
690 . 1 1 62 62 VAL HG21 H 1 0.194 0.014 . 1 . . . . 62 V QG2 . 17104 1
691 . 1 1 62 62 VAL HG22 H 1 0.194 0.014 . 1 . . . . 62 V QG2 . 17104 1
692 . 1 1 62 62 VAL HG23 H 1 0.194 0.014 . 1 . . . . 62 V QG2 . 17104 1
693 . 1 1 62 62 VAL CA C 13 61.322 0.18 . 1 . . . . 62 V CA . 17104 1
694 . 1 1 62 62 VAL CB C 13 34.456 0.18 . 1 . . . . 62 V CB . 17104 1
695 . 1 1 62 62 VAL CG1 C 13 22.880 0.18 . 2 . . . . 62 V CG1 . 17104 1
696 . 1 1 62 62 VAL CG2 C 13 21.475 0.18 . 2 . . . . 62 V CG2 . 17104 1
697 . 1 1 62 62 VAL N N 15 125.272 0.12 . 1 . . . . 62 V N . 17104 1
698 . 1 1 63 63 LEU H H 1 8.798 0.014 . 1 . . . . 63 L H . 17104 1
699 . 1 1 63 63 LEU HA H 1 3.915 0.014 . 1 . . . . 63 L HA . 17104 1
700 . 1 1 63 63 LEU HB2 H 1 1.097 0.014 . 2 . . . . 63 L HB2 . 17104 1
701 . 1 1 63 63 LEU HB3 H 1 -0.811 0.014 . 2 . . . . 63 L HB3 . 17104 1
702 . 1 1 63 63 LEU HD11 H 1 -0.670 0.014 . 1 . . . . 63 L QD1 . 17104 1
703 . 1 1 63 63 LEU HD12 H 1 -0.670 0.014 . 1 . . . . 63 L QD1 . 17104 1
704 . 1 1 63 63 LEU HD13 H 1 -0.670 0.014 . 1 . . . . 63 L QD1 . 17104 1
705 . 1 1 63 63 LEU HD21 H 1 0.312 0.014 . 1 . . . . 63 L QD2 . 17104 1
706 . 1 1 63 63 LEU HD22 H 1 0.312 0.014 . 1 . . . . 63 L QD2 . 17104 1
707 . 1 1 63 63 LEU HD23 H 1 0.312 0.014 . 1 . . . . 63 L QD2 . 17104 1
708 . 1 1 63 63 LEU HG H 1 0.580 0.014 . 1 . . . . 63 L HG . 17104 1
709 . 1 1 63 63 LEU CA C 13 53.823 0.18 . 1 . . . . 63 L CA . 17104 1
710 . 1 1 63 63 LEU CB C 13 41.322 0.18 . 1 . . . . 63 L CB . 17104 1
711 . 1 1 63 63 LEU CD1 C 13 20.669 0.18 . 2 . . . . 63 L CD1 . 17104 1
712 . 1 1 63 63 LEU CD2 C 13 26.601 0.18 . 2 . . . . 63 L CD2 . 17104 1
713 . 1 1 63 63 LEU CG C 13 26.190 0.18 . 1 . . . . 63 L CG . 17104 1
714 . 1 1 63 63 LEU N N 15 134.426 0.12 . 1 . . . . 63 L N . 17104 1
715 . 1 1 64 64 ILE H H 1 8.276 0.014 . 1 . . . . 64 I H . 17104 1
716 . 1 1 64 64 ILE HA H 1 5.487 0.014 . 1 . . . . 64 I HA . 17104 1
717 . 1 1 64 64 ILE HB H 1 1.121 0.014 . 1 . . . . 64 I HB . 17104 1
718 . 1 1 64 64 ILE HD11 H 1 0.443 0.014 . 1 . . . . 64 I QD1 . 17104 1
719 . 1 1 64 64 ILE HD12 H 1 0.443 0.014 . 1 . . . . 64 I QD1 . 17104 1
720 . 1 1 64 64 ILE HD13 H 1 0.443 0.014 . 1 . . . . 64 I QD1 . 17104 1
721 . 1 1 64 64 ILE HG12 H 1 0.436 0.014 . 2 . . . . 64 I HG12 . 17104 1
722 . 1 1 64 64 ILE HG13 H 1 0.699 0.014 . 2 . . . . 64 I HG13 . 17104 1
723 . 1 1 64 64 ILE HG21 H 1 0.452 0.014 . 1 . . . . 64 I QG2 . 17104 1
724 . 1 1 64 64 ILE HG22 H 1 0.452 0.014 . 1 . . . . 64 I QG2 . 17104 1
725 . 1 1 64 64 ILE HG23 H 1 0.452 0.014 . 1 . . . . 64 I QG2 . 17104 1
726 . 1 1 64 64 ILE CA C 13 57.242 0.18 . 1 . . . . 64 I CA . 17104 1
727 . 1 1 64 64 ILE CB C 13 42.052 0.18 . 1 . . . . 64 I CB . 17104 1
728 . 1 1 64 64 ILE CD1 C 13 15.225 0.18 . 1 . . . . 64 I CD1 . 17104 1
729 . 1 1 64 64 ILE CG1 C 13 23.999 0.18 . 1 . . . . 64 I CG1 . 17104 1
730 . 1 1 64 64 ILE CG2 C 13 19.004 0.18 . 1 . . . . 64 I CG2 . 17104 1
731 . 1 1 64 64 ILE N N 15 120.740 0.12 . 1 . . . . 64 I N . 17104 1
732 . 1 1 65 65 THR H H 1 8.479 0.014 . 1 . . . . 65 T H . 17104 1
733 . 1 1 65 65 THR HA H 1 4.233 0.014 . 1 . . . . 65 T HA . 17104 1
734 . 1 1 65 65 THR HB H 1 4.596 0.014 . 1 . . . . 65 T HB . 17104 1
735 . 1 1 65 65 THR HG21 H 1 1.292 0.014 . 1 . . . . 65 T QG2 . 17104 1
736 . 1 1 65 65 THR HG22 H 1 1.292 0.014 . 1 . . . . 65 T QG2 . 17104 1
737 . 1 1 65 65 THR HG23 H 1 1.292 0.014 . 1 . . . . 65 T QG2 . 17104 1
738 . 1 1 65 65 THR CA C 13 61.300 0.18 . 1 . . . . 65 T CA . 17104 1
739 . 1 1 65 65 THR CB C 13 70.354 0.18 . 1 . . . . 65 T CB . 17104 1
740 . 1 1 65 65 THR CG2 C 13 23.641 0.18 . 1 . . . . 65 T CG2 . 17104 1
741 . 1 1 65 65 THR N N 15 111.571 0.12 . 1 . . . . 65 T N . 17104 1
742 . 1 1 66 66 ASP H H 1 8.647 0.014 . 1 . . . . 66 D H . 17104 1
743 . 1 1 66 66 ASP HA H 1 4.134 0.014 . 1 . . . . 66 D HA . 17104 1
744 . 1 1 66 66 ASP HB2 H 1 2.603 0.014 . 2 . . . . 66 D HB2 . 17104 1
745 . 1 1 66 66 ASP HB3 H 1 2.475 0.014 . 2 . . . . 66 D HB3 . 17104 1
746 . 1 1 66 66 ASP CA C 13 57.358 0.18 . 1 . . . . 66 D CA . 17104 1
747 . 1 1 66 66 ASP CB C 13 40.615 0.18 . 1 . . . . 66 D CB . 17104 1
748 . 1 1 66 66 ASP N N 15 121.979 0.12 . 1 . . . . 66 D N . 17104 1
749 . 1 1 67 67 THR H H 1 8.075 0.014 . 1 . . . . 67 T H . 17104 1
750 . 1 1 67 67 THR HA H 1 4.111 0.014 . 1 . . . . 67 T HA . 17104 1
751 . 1 1 67 67 THR HB H 1 4.163 0.014 . 1 . . . . 67 T HB . 17104 1
752 . 1 1 67 67 THR HG21 H 1 1.168 0.014 . 1 . . . . 67 T QG2 . 17104 1
753 . 1 1 67 67 THR HG22 H 1 1.168 0.014 . 1 . . . . 67 T QG2 . 17104 1
754 . 1 1 67 67 THR HG23 H 1 1.168 0.014 . 1 . . . . 67 T QG2 . 17104 1
755 . 1 1 67 67 THR CA C 13 63.911 0.18 . 1 . . . . 67 T CA . 17104 1
756 . 1 1 67 67 THR CB C 13 68.516 0.18 . 1 . . . . 67 T CB . 17104 1
757 . 1 1 67 67 THR CG2 C 13 22.482 0.18 . 1 . . . . 67 T CG2 . 17104 1
758 . 1 1 67 67 THR N N 15 108.403 0.12 . 1 . . . . 67 T N . 17104 1
759 . 1 1 68 68 GLU H H 1 7.246 0.014 . 1 . . . . 68 E H . 17104 1
760 . 1 1 68 68 GLU HA H 1 4.342 0.014 . 1 . . . . 68 E HA . 17104 1
761 . 1 1 68 68 GLU HB2 H 1 1.794 0.014 . 2 . . . . 68 E HB2 . 17104 1
762 . 1 1 68 68 GLU HB3 H 1 1.973 0.014 . 2 . . . . 68 E HB3 . 17104 1
763 . 1 1 68 68 GLU HG2 H 1 2.159 0.014 . 2 . . . . 68 E QG . 17104 1
764 . 1 1 68 68 GLU HG3 H 1 2.159 0.014 . 2 . . . . 68 E QG . 17104 1
765 . 1 1 68 68 GLU CA C 13 56.373 0.18 . 1 . . . . 68 E CA . 17104 1
766 . 1 1 68 68 GLU CB C 13 31.648 0.18 . 1 . . . . 68 E CB . 17104 1
767 . 1 1 68 68 GLU CG C 13 36.566 0.18 . 1 . . . . 68 E CG . 17104 1
768 . 1 1 68 68 GLU N N 15 115.878 0.12 . 1 . . . . 68 E N . 17104 1
769 . 1 1 69 69 GLY H H 1 7.854 0.014 . 1 . . . . 69 G H . 17104 1
770 . 1 1 69 69 GLY HA2 H 1 3.769 0.014 . 2 . . . . 69 G HA2 . 17104 1
771 . 1 1 69 69 GLY HA3 H 1 3.849 0.014 . 2 . . . . 69 G HA3 . 17104 1
772 . 1 1 69 69 GLY CA C 13 47.611 0.18 . 1 . . . . 69 G CA . 17104 1
773 . 1 1 69 69 GLY N N 15 109.720 0.12 . 1 . . . . 69 G N . 17104 1
774 . 1 1 70 70 LYS H H 1 7.907 0.014 . 1 . . . . 70 K H . 17104 1
775 . 1 1 70 70 LYS HA H 1 4.415 0.014 . 1 . . . . 70 K HA . 17104 1
776 . 1 1 70 70 LYS HB2 H 1 1.617 0.014 . 2 . . . . 70 K HB2 . 17104 1
777 . 1 1 70 70 LYS HB3 H 1 1.404 0.014 . 2 . . . . 70 K HB3 . 17104 1
778 . 1 1 70 70 LYS HD2 H 1 1.526 0.014 . 2 . . . . 70 K QD . 17104 1
779 . 1 1 70 70 LYS HD3 H 1 1.526 0.014 . 2 . . . . 70 K QD . 17104 1
780 . 1 1 70 70 LYS HE2 H 1 2.799 0.014 . 2 . . . . 70 K HE2 . 17104 1
781 . 1 1 70 70 LYS HE3 H 1 2.866 0.014 . 2 . . . . 70 K HE3 . 17104 1
782 . 1 1 70 70 LYS HG2 H 1 1.148 0.014 . 2 . . . . 70 K HG2 . 17104 1
783 . 1 1 70 70 LYS HG3 H 1 1.052 0.014 . 2 . . . . 70 K HG3 . 17104 1
784 . 1 1 70 70 LYS CA C 13 56.157 0.18 . 1 . . . . 70 K CA . 17104 1
785 . 1 1 70 70 LYS CB C 13 33.423 0.18 . 1 . . . . 70 K CB . 17104 1
786 . 1 1 70 70 LYS CD C 13 29.546 0.18 . 1 . . . . 70 K CD . 17104 1
787 . 1 1 70 70 LYS CE C 13 41.955 0.18 . 1 . . . . 70 K CE . 17104 1
788 . 1 1 70 70 LYS CG C 13 25.223 0.18 . 1 . . . . 70 K CG . 17104 1
789 . 1 1 70 70 LYS N N 15 119.561 0.12 . 1 . . . . 70 K N . 17104 1
790 . 1 1 71 71 ILE H H 1 8.870 0.014 . 1 . . . . 71 I H . 17104 1
791 . 1 1 71 71 ILE HA H 1 3.862 0.014 . 1 . . . . 71 I HA . 17104 1
792 . 1 1 71 71 ILE HB H 1 1.789 0.014 . 1 . . . . 71 I HB . 17104 1
793 . 1 1 71 71 ILE HD11 H 1 0.651 0.014 . 1 . . . . 71 I QD1 . 17104 1
794 . 1 1 71 71 ILE HD12 H 1 0.651 0.014 . 1 . . . . 71 I QD1 . 17104 1
795 . 1 1 71 71 ILE HD13 H 1 0.651 0.014 . 1 . . . . 71 I QD1 . 17104 1
796 . 1 1 71 71 ILE HG12 H 1 1.755 0.014 . 2 . . . . 71 I HG12 . 17104 1
797 . 1 1 71 71 ILE HG13 H 1 0.422 0.014 . 2 . . . . 71 I HG13 . 17104 1
798 . 1 1 71 71 ILE HG21 H 1 0.620 0.014 . 1 . . . . 71 I QG2 . 17104 1
799 . 1 1 71 71 ILE HG22 H 1 0.620 0.014 . 1 . . . . 71 I QG2 . 17104 1
800 . 1 1 71 71 ILE HG23 H 1 0.620 0.014 . 1 . . . . 71 I QG2 . 17104 1
801 . 1 1 71 71 ILE CA C 13 62.932 0.18 . 1 . . . . 71 I CA . 17104 1
802 . 1 1 71 71 ILE CB C 13 38.863 0.18 . 1 . . . . 71 I CB . 17104 1
803 . 1 1 71 71 ILE CD1 C 13 14.516 0.18 . 1 . . . . 71 I CD1 . 17104 1
804 . 1 1 71 71 ILE CG1 C 13 28.148 0.18 . 1 . . . . 71 I CG1 . 17104 1
805 . 1 1 71 71 ILE CG2 C 13 18.398 0.18 . 1 . . . . 71 I CG2 . 17104 1
806 . 1 1 71 71 ILE N N 15 123.587 0.12 . 1 . . . . 71 I N . 17104 1
807 . 1 1 72 72 LEU H H 1 9.456 0.014 . 1 . . . . 72 L H . 17104 1
808 . 1 1 72 72 LEU HA H 1 4.341 0.014 . 1 . . . . 72 L HA . 17104 1
809 . 1 1 72 72 LEU HB2 H 1 1.312 0.014 . 2 . . . . 72 L QB . 17104 1
810 . 1 1 72 72 LEU HB3 H 1 1.312 0.014 . 2 . . . . 72 L QB . 17104 1
811 . 1 1 72 72 LEU HD11 H 1 0.572 0.014 . 1 . . . . 72 L QD1 . 17104 1
812 . 1 1 72 72 LEU HD12 H 1 0.572 0.014 . 1 . . . . 72 L QD1 . 17104 1
813 . 1 1 72 72 LEU HD13 H 1 0.572 0.014 . 1 . . . . 72 L QD1 . 17104 1
814 . 1 1 72 72 LEU HD21 H 1 0.579 0.014 . 1 . . . . 72 L QD2 . 17104 1
815 . 1 1 72 72 LEU HD22 H 1 0.579 0.014 . 1 . . . . 72 L QD2 . 17104 1
816 . 1 1 72 72 LEU HD23 H 1 0.579 0.014 . 1 . . . . 72 L QD2 . 17104 1
817 . 1 1 72 72 LEU HG H 1 1.542 0.014 . 1 . . . . 72 L HG . 17104 1
818 . 1 1 72 72 LEU CA C 13 55.886 0.18 . 1 . . . . 72 L CA . 17104 1
819 . 1 1 72 72 LEU CB C 13 44.254 0.18 . 1 . . . . 72 L CB . 17104 1
820 . 1 1 72 72 LEU CD1 C 13 25.200 0.18 . 2 . . . . 72 L CD1 . 17104 1
821 . 1 1 72 72 LEU CD2 C 13 21.746 0.18 . 2 . . . . 72 L CD2 . 17104 1
822 . 1 1 72 72 LEU CG C 13 26.414 0.18 . 1 . . . . 72 L CG . 17104 1
823 . 1 1 72 72 LEU N N 15 129.297 0.12 . 1 . . . . 72 L N . 17104 1
824 . 1 1 73 73 LYS H H 1 7.146 0.014 . 1 . . . . 73 K H . 17104 1
825 . 1 1 73 73 LYS HA H 1 4.407 0.014 . 1 . . . . 73 K HA . 17104 1
826 . 1 1 73 73 LYS HB2 H 1 1.552 0.014 . 2 . . . . 73 K HB2 . 17104 1
827 . 1 1 73 73 LYS HB3 H 1 1.834 0.014 . 2 . . . . 73 K HB3 . 17104 1
828 . 1 1 73 73 LYS HD2 H 1 1.749 0.014 . 2 . . . . 73 K HD2 . 17104 1
829 . 1 1 73 73 LYS HD3 H 1 1.528 0.014 . 2 . . . . 73 K HD3 . 17104 1
830 . 1 1 73 73 LYS HE2 H 1 2.783 0.014 . 2 . . . . 73 K HE2 . 17104 1
831 . 1 1 73 73 LYS HE3 H 1 2.922 0.014 . 2 . . . . 73 K HE3 . 17104 1
832 . 1 1 73 73 LYS HG2 H 1 1.367 0.014 . 2 . . . . 73 K HG2 . 17104 1
833 . 1 1 73 73 LYS HG3 H 1 1.143 0.014 . 2 . . . . 73 K HG3 . 17104 1
834 . 1 1 73 73 LYS CA C 13 55.770 0.18 . 1 . . . . 73 K CA . 17104 1
835 . 1 1 73 73 LYS CB C 13 38.090 0.18 . 1 . . . . 73 K CB . 17104 1
836 . 1 1 73 73 LYS CD C 13 29.749 0.18 . 1 . . . . 73 K CD . 17104 1
837 . 1 1 73 73 LYS CE C 13 42.060 0.18 . 1 . . . . 73 K CE . 17104 1
838 . 1 1 73 73 LYS CG C 13 25.769 0.18 . 1 . . . . 73 K CG . 17104 1
839 . 1 1 73 73 LYS N N 15 114.347 0.12 . 1 . . . . 73 K N . 17104 1
840 . 1 1 74 74 VAL H H 1 8.328 0.014 . 1 . . . . 74 V H . 17104 1
841 . 1 1 74 74 VAL HA H 1 4.980 0.014 . 1 . . . . 74 V HA . 17104 1
842 . 1 1 74 74 VAL HB H 1 1.913 0.014 . 1 . . . . 74 V HB . 17104 1
843 . 1 1 74 74 VAL HG11 H 1 0.404 0.014 . 1 . . . . 74 V QG1 . 17104 1
844 . 1 1 74 74 VAL HG12 H 1 0.404 0.014 . 1 . . . . 74 V QG1 . 17104 1
845 . 1 1 74 74 VAL HG13 H 1 0.404 0.014 . 1 . . . . 74 V QG1 . 17104 1
846 . 1 1 74 74 VAL HG21 H 1 0.600 0.014 . 1 . . . . 74 V QG2 . 17104 1
847 . 1 1 74 74 VAL HG22 H 1 0.600 0.014 . 1 . . . . 74 V QG2 . 17104 1
848 . 1 1 74 74 VAL HG23 H 1 0.600 0.014 . 1 . . . . 74 V QG2 . 17104 1
849 . 1 1 74 74 VAL CA C 13 61.125 0.18 . 1 . . . . 74 V CA . 17104 1
850 . 1 1 74 74 VAL CB C 13 35.017 0.18 . 1 . . . . 74 V CB . 17104 1
851 . 1 1 74 74 VAL CG1 C 13 21.875 0.18 . 2 . . . . 74 V CG1 . 17104 1
852 . 1 1 74 74 VAL CG2 C 13 22.114 0.18 . 2 . . . . 74 V CG2 . 17104 1
853 . 1 1 74 74 VAL N N 15 120.727 0.12 . 1 . . . . 74 V N . 17104 1
854 . 1 1 75 75 TYR H H 1 9.628 0.014 . 1 . . . . 75 Y H . 17104 1
855 . 1 1 75 75 TYR HA H 1 5.200 0.014 . 1 . . . . 75 Y HA . 17104 1
856 . 1 1 75 75 TYR HB2 H 1 2.934 0.014 . 2 . . . . 75 Y HB2 . 17104 1
857 . 1 1 75 75 TYR HB3 H 1 2.437 0.014 . 2 . . . . 75 Y HB3 . 17104 1
858 . 1 1 75 75 TYR HD1 H 1 6.958 0.014 . 3 . . . . 75 Y QD . 17104 1
859 . 1 1 75 75 TYR HD2 H 1 6.958 0.014 . 3 . . . . 75 Y QD . 17104 1
860 . 1 1 75 75 TYR HE1 H 1 6.737 0.014 . 3 . . . . 75 Y QE . 17104 1
861 . 1 1 75 75 TYR HE2 H 1 6.737 0.014 . 3 . . . . 75 Y QE . 17104 1
862 . 1 1 75 75 TYR CA C 13 57.256 0.18 . 1 . . . . 75 Y CA . 17104 1
863 . 1 1 75 75 TYR CB C 13 42.830 0.18 . 1 . . . . 75 Y CB . 17104 1
864 . 1 1 75 75 TYR CD1 C 13 133.039 0.18 . 3 . . . . 75 Y CD1 . 17104 1
865 . 1 1 75 75 TYR CD2 C 13 133.039 0.18 . 3 . . . . 75 Y CD2 . 17104 1
866 . 1 1 75 75 TYR CE1 C 13 117.801 0.18 . 3 . . . . 75 Y CE1 . 17104 1
867 . 1 1 75 75 TYR CE2 C 13 117.801 0.18 . 3 . . . . 75 Y CE2 . 17104 1
868 . 1 1 75 75 TYR N N 15 124.477 0.12 . 1 . . . . 75 Y N . 17104 1
869 . 1 1 76 76 ASP H H 1 9.321 0.014 . 1 . . . . 76 D H . 17104 1
870 . 1 1 76 76 ASP HA H 1 4.688 0.014 . 1 . . . . 76 D HA . 17104 1
871 . 1 1 76 76 ASP HB2 H 1 2.920 0.014 . 2 . . . . 76 D HB2 . 17104 1
872 . 1 1 76 76 ASP HB3 H 1 2.836 0.014 . 2 . . . . 76 D HB3 . 17104 1
873 . 1 1 76 76 ASP CA C 13 54.700 0.18 . 1 . . . . 76 D CA . 17104 1
874 . 1 1 76 76 ASP CB C 13 44.048 0.18 . 1 . . . . 76 D CB . 17104 1
875 . 1 1 76 76 ASP N N 15 123.632 0.12 . 1 . . . . 76 D N . 17104 1
876 . 1 1 77 77 GLY H H 1 8.093 0.014 . 1 . . . . 77 G H . 17104 1
877 . 1 1 77 77 GLY HA2 H 1 4.262 0.014 . 2 . . . . 77 G HA2 . 17104 1
878 . 1 1 77 77 GLY HA3 H 1 4.181 0.014 . 2 . . . . 77 G HA3 . 17104 1
879 . 1 1 77 77 GLY CA C 13 47.697 0.18 . 1 . . . . 77 G CA . 17104 1
880 . 1 1 77 77 GLY N N 15 112.510 0.12 . 1 . . . . 77 G N . 17104 1
881 . 1 1 78 78 GLU H H 1 9.264 0.014 . 1 . . . . 78 E H . 17104 1
882 . 1 1 78 78 GLU HA H 1 4.141 0.014 . 1 . . . . 78 E HA . 17104 1
883 . 1 1 78 78 GLU HB2 H 1 1.996 0.014 . 2 . . . . 78 E QB . 17104 1
884 . 1 1 78 78 GLU HB3 H 1 1.996 0.014 . 2 . . . . 78 E QB . 17104 1
885 . 1 1 78 78 GLU HG2 H 1 2.422 0.014 . 2 . . . . 78 E HG2 . 17104 1
886 . 1 1 78 78 GLU HG3 H 1 2.465 0.014 . 2 . . . . 78 E HG3 . 17104 1
887 . 1 1 78 78 GLU CA C 13 58.255 0.18 . 1 . . . . 78 E CA . 17104 1
888 . 1 1 78 78 GLU CB C 13 29.500 0.18 . 1 . . . . 78 E CB . 17104 1
889 . 1 1 78 78 GLU CG C 13 36.832 0.18 . 1 . . . . 78 E CG . 17104 1
890 . 1 1 78 78 GLU N N 15 122.931 0.12 . 1 . . . . 78 E N . 17104 1
891 . 1 1 79 79 ILE H H 1 8.056 0.014 . 1 . . . . 79 I H . 17104 1
892 . 1 1 79 79 ILE HA H 1 2.906 0.014 . 1 . . . . 79 I HA . 17104 1
893 . 1 1 79 79 ILE HB H 1 1.434 0.014 . 1 . . . . 79 I HB . 17104 1
894 . 1 1 79 79 ILE HD11 H 1 0.301 0.014 . 1 . . . . 79 I QD1 . 17104 1
895 . 1 1 79 79 ILE HD12 H 1 0.301 0.014 . 1 . . . . 79 I QD1 . 17104 1
896 . 1 1 79 79 ILE HD13 H 1 0.301 0.014 . 1 . . . . 79 I QD1 . 17104 1
897 . 1 1 79 79 ILE HG12 H 1 1.055 0.014 . 2 . . . . 79 I HG12 . 17104 1
898 . 1 1 79 79 ILE HG13 H 1 1.117 0.014 . 2 . . . . 79 I HG13 . 17104 1
899 . 1 1 79 79 ILE HG21 H 1 0.810 0.014 . 1 . . . . 79 I QG2 . 17104 1
900 . 1 1 79 79 ILE HG22 H 1 0.810 0.014 . 1 . . . . 79 I QG2 . 17104 1
901 . 1 1 79 79 ILE HG23 H 1 0.810 0.014 . 1 . . . . 79 I QG2 . 17104 1
902 . 1 1 79 79 ILE CA C 13 64.144 0.18 . 1 . . . . 79 I CA . 17104 1
903 . 1 1 79 79 ILE CB C 13 38.371 0.18 . 1 . . . . 79 I CB . 17104 1
904 . 1 1 79 79 ILE CD1 C 13 14.865 0.18 . 1 . . . . 79 I CD1 . 17104 1
905 . 1 1 79 79 ILE CG1 C 13 28.852 0.18 . 1 . . . . 79 I CG1 . 17104 1
906 . 1 1 79 79 ILE CG2 C 13 17.382 0.18 . 1 . . . . 79 I CG2 . 17104 1
907 . 1 1 79 79 ILE N N 15 120.319 0.12 . 1 . . . . 79 I N . 17104 1
908 . 1 1 80 80 PHE H H 1 7.356 0.014 . 1 . . . . 80 F H . 17104 1
909 . 1 1 80 80 PHE HA H 1 4.178 0.014 . 1 . . . . 80 F HA . 17104 1
910 . 1 1 80 80 PHE HB2 H 1 3.044 0.014 . 2 . . . . 80 F HB2 . 17104 1
911 . 1 1 80 80 PHE HB3 H 1 2.595 0.014 . 2 . . . . 80 F HB3 . 17104 1
912 . 1 1 80 80 PHE HD1 H 1 6.646 0.014 . 3 . . . . 80 F QD . 17104 1
913 . 1 1 80 80 PHE HD2 H 1 6.646 0.014 . 3 . . . . 80 F QD . 17104 1
914 . 1 1 80 80 PHE HE1 H 1 7.003 0.014 . 3 . . . . 80 F QE . 17104 1
915 . 1 1 80 80 PHE HE2 H 1 7.003 0.014 . 3 . . . . 80 F QE . 17104 1
916 . 1 1 80 80 PHE HZ H 1 7.003 0.014 . 1 . . . . 80 F HZ . 17104 1
917 . 1 1 80 80 PHE CA C 13 57.812 0.18 . 1 . . . . 80 F CA . 17104 1
918 . 1 1 80 80 PHE CB C 13 40.596 0.18 . 1 . . . . 80 F CB . 17104 1
919 . 1 1 80 80 PHE CD1 C 13 131.286 0.18 . 3 . . . . 80 F CD1 . 17104 1
920 . 1 1 80 80 PHE CD2 C 13 131.319 0.18 . 3 . . . . 80 F CD2 . 17104 1
921 . 1 1 80 80 PHE CE1 C 13 131.240 0.18 . 3 . . . . 80 F CE1 . 17104 1
922 . 1 1 80 80 PHE CE2 C 13 131.240 0.18 . 3 . . . . 80 F CE2 . 17104 1
923 . 1 1 80 80 PHE CZ C 13 129.567 0.18 . 1 . . . . 80 F CZ . 17104 1
924 . 1 1 80 80 PHE N N 15 121.405 0.12 . 1 . . . . 80 F N . 17104 1
925 . 1 1 81 81 TYR H H 1 7.390 0.014 . 1 . . . . 81 Y H . 17104 1
926 . 1 1 81 81 TYR HA H 1 4.121 0.014 . 1 . . . . 81 Y HA . 17104 1
927 . 1 1 81 81 TYR HB2 H 1 2.992 0.014 . 2 . . . . 81 Y HB2 . 17104 1
928 . 1 1 81 81 TYR HB3 H 1 2.685 0.014 . 2 . . . . 81 Y HB3 . 17104 1
929 . 1 1 81 81 TYR HD1 H 1 6.954 0.014 . 3 . . . . 81 Y QD . 17104 1
930 . 1 1 81 81 TYR HD2 H 1 6.954 0.014 . 3 . . . . 81 Y QD . 17104 1
931 . 1 1 81 81 TYR HE1 H 1 6.731 0.014 . 3 . . . . 81 Y QE . 17104 1
932 . 1 1 81 81 TYR HE2 H 1 6.731 0.014 . 3 . . . . 81 Y QE . 17104 1
933 . 1 1 81 81 TYR CA C 13 57.506 0.18 . 1 . . . . 81 Y CA . 17104 1
934 . 1 1 81 81 TYR CB C 13 38.441 0.18 . 1 . . . . 81 Y CB . 17104 1
935 . 1 1 81 81 TYR CD1 C 13 133.305 0.18 . 3 . . . . 81 Y CD1 . 17104 1
936 . 1 1 81 81 TYR CD2 C 13 133.305 0.18 . 3 . . . . 81 Y CD2 . 17104 1
937 . 1 1 81 81 TYR CE1 C 13 118.396 0.18 . 3 . . . . 81 Y CE1 . 17104 1
938 . 1 1 81 81 TYR CE2 C 13 118.396 0.18 . 3 . . . . 81 Y CE2 . 17104 1
939 . 1 1 81 81 TYR N N 15 116.851 0.12 . 1 . . . . 81 Y N . 17104 1
940 . 1 1 82 82 HIS H H 1 7.537 0.014 . 1 . . . . 82 H H . 17104 1
941 . 1 1 82 82 HIS HA H 1 4.394 0.014 . 1 . . . . 82 H HA . 17104 1
942 . 1 1 82 82 HIS HB2 H 1 2.958 0.014 . 2 . . . . 82 H HB2 . 17104 1
943 . 1 1 82 82 HIS HB3 H 1 3.034 0.014 . 2 . . . . 82 H HB3 . 17104 1
944 . 1 1 82 82 HIS HD2 H 1 7.072 0.014 . 1 . . . . 82 H HD2 . 17104 1
945 . 1 1 82 82 HIS CA C 13 56.420 0.18 . 1 . . . . 82 H CA . 17104 1
946 . 1 1 82 82 HIS CB C 13 29.740 0.18 . 1 . . . . 82 H CB . 17104 1
947 . 1 1 82 82 HIS CD2 C 13 120.376 0.18 . 1 . . . . 82 H CD2 . 17104 1
948 . 1 1 82 82 HIS N N 15 120.295 0.12 . 1 . . . . 82 H N . 17104 1
949 . 1 1 83 83 ARG H H 1 7.634 0.014 . 1 . . . . 83 R H . 17104 1
950 . 1 1 83 83 ARG HA H 1 3.971 0.014 . 1 . . . . 83 R HA . 17104 1
951 . 1 1 83 83 ARG HB2 H 1 1.678 0.014 . 2 . . . . 83 R HB2 . 17104 1
952 . 1 1 83 83 ARG HB3 H 1 1.542 0.014 . 2 . . . . 83 R HB3 . 17104 1
953 . 1 1 83 83 ARG HD2 H 1 3.031 0.014 . 2 . . . . 83 R QD . 17104 1
954 . 1 1 83 83 ARG HD3 H 1 3.031 0.014 . 2 . . . . 83 R QD . 17104 1
955 . 1 1 83 83 ARG HG2 H 1 1.422 0.014 . 2 . . . . 83 R QG . 17104 1
956 . 1 1 83 83 ARG HG3 H 1 1.422 0.014 . 2 . . . . 83 R QG . 17104 1
957 . 1 1 83 83 ARG CA C 13 57.248 0.18 . 1 . . . . 83 R CA . 17104 1
958 . 1 1 83 83 ARG CB C 13 31.728 0.18 . 1 . . . . 83 R CB . 17104 1
959 . 1 1 83 83 ARG CD C 13 43.477 0.18 . 1 . . . . 83 R CD . 17104 1
960 . 1 1 83 83 ARG CG C 13 27.139 0.18 . 1 . . . . 83 R CG . 17104 1
961 . 1 1 83 83 ARG N N 15 128.426 0.12 . 1 . . . . 83 R N . 17104 1
stop_
save_